USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 811 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 6 ASN : amide:sc= -1.1 X(o=-1.9,f=-2!) USER MOD Set 1.2: A 36 THR OG1 : rot -140:sc= -0.832 USER MOD Set 2.1: A 11 CYS SG : rot 8:sc= -0.23 USER MOD Set 2.2: A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot -27:sc= 0.329 USER MOD Single : A 5 MET CE :methyl -110:sc= -0.881 (180deg=-3.23!) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.195 K(o=-0.19,f=-2!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.0765 K(o=-0.077,f=-1.1) USER MOD Single : A 34 ASN : amide:sc= -0.0154 X(o=-0.015,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.0922 USER MOD Single : A 60 GLN : amide:sc= -0.0162 K(o=-0.016,f=-0.71) USER MOD Single : A 61 SER OG : rot -97:sc= -0.126 USER MOD Single : A 64 ASN : amide:sc= -0.191 X(o=-0.19,f=-0.11) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -23:sc= -0.642 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.174 K(o=-0.17,f=-2!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.151 USER MOD Single : A 89 THR OG1 : rot -11:sc= 1.05 USER MOD Single : A 90 MET CE :methyl -111:sc= -0.58 (180deg=-2.05!) USER MOD Single : A 91 ASN : amide:sc= -0.382 K(o=-0.38,f=-4.9!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.247 X(o=-0.25,f=0) USER MOD Single : A 101 ASN : amide:sc=-0.00758 X(o=-0.0076,f=-0.13) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N SER A 4 7.085 -13.188 -4.103 1.00 51.14 N ATOM 30 CA SER A 4 7.200 -12.004 -3.260 1.00 74.13 C ATOM 31 C SER A 4 6.021 -11.062 -3.484 1.00 3.42 C ATOM 32 O SER A 4 5.576 -10.865 -4.614 1.00 35.15 O ATOM 33 CB SER A 4 8.513 -11.274 -3.546 1.00 24.03 C ATOM 34 OG SER A 4 8.771 -11.214 -4.938 1.00 43.20 O ATOM 0 HA SER A 4 7.192 -12.327 -2.219 1.00 74.13 H new ATOM 0 HB2 SER A 4 8.468 -10.264 -3.138 1.00 24.03 H new ATOM 0 HB3 SER A 4 9.334 -11.785 -3.043 1.00 24.03 H new ATOM 0 HG SER A 4 8.342 -11.975 -5.383 1.00 43.20 H new ATOM 40 N MET A 5 5.521 -10.481 -2.397 1.00 43.14 N ATOM 41 CA MET A 5 4.395 -9.557 -2.475 1.00 43.33 C ATOM 42 C MET A 5 4.867 -8.112 -2.347 1.00 64.04 C ATOM 43 O MET A 5 5.300 -7.683 -1.278 1.00 53.03 O ATOM 44 CB MET A 5 3.375 -9.872 -1.380 1.00 41.40 C ATOM 45 CG MET A 5 1.931 -9.758 -1.843 1.00 64.30 C ATOM 46 SD MET A 5 0.758 -9.803 -0.476 1.00 74.24 S ATOM 47 CE MET A 5 1.036 -8.196 0.263 1.00 71.22 C ATOM 0 H MET A 5 5.877 -10.634 -1.454 1.00 43.14 H new ATOM 0 HA MET A 5 3.922 -9.680 -3.449 1.00 43.33 H new ATOM 0 HB2 MET A 5 3.551 -10.882 -1.011 1.00 41.40 H new ATOM 0 HB3 MET A 5 3.534 -9.194 -0.541 1.00 41.40 H new ATOM 0 HG2 MET A 5 1.803 -8.827 -2.396 1.00 64.30 H new ATOM 0 HG3 MET A 5 1.710 -10.572 -2.534 1.00 64.30 H new ATOM 0 HE1 MET A 5 1.529 -8.319 1.227 1.00 71.22 H new ATOM 0 HE2 MET A 5 1.668 -7.598 -0.394 1.00 71.22 H new ATOM 0 HE3 MET A 5 0.081 -7.691 0.406 1.00 71.22 H new ATOM 57 N ASN A 6 4.782 -7.367 -3.444 1.00 51.44 N ATOM 58 CA ASN A 6 5.201 -5.970 -3.454 1.00 31.12 C ATOM 59 C ASN A 6 4.005 -5.042 -3.269 1.00 55.11 C ATOM 60 O ASN A 6 2.993 -5.171 -3.960 1.00 24.45 O ATOM 61 CB ASN A 6 5.919 -5.640 -4.764 1.00 25.32 C ATOM 62 CG ASN A 6 7.121 -6.534 -5.005 1.00 0.11 C ATOM 63 OD1 ASN A 6 7.007 -7.759 -5.010 1.00 61.42 O ATOM 64 ND2 ASN A 6 8.282 -5.921 -5.205 1.00 32.35 N ATOM 0 H ASN A 6 4.427 -7.707 -4.338 1.00 51.44 H new ATOM 0 HA ASN A 6 5.889 -5.817 -2.622 1.00 31.12 H new ATOM 0 HB2 ASN A 6 5.220 -5.743 -5.594 1.00 25.32 H new ATOM 0 HB3 ASN A 6 6.241 -4.599 -4.746 1.00 25.32 H new ATOM 0 HD21 ASN A 6 9.126 -6.469 -5.371 1.00 32.35 H new ATOM 0 HD22 ASN A 6 8.330 -4.902 -5.192 1.00 32.35 H new ATOM 71 N ILE A 7 4.129 -4.105 -2.335 1.00 14.13 N ATOM 72 CA ILE A 7 3.058 -3.154 -2.061 1.00 10.11 C ATOM 73 C ILE A 7 3.401 -1.770 -2.601 1.00 30.14 C ATOM 74 O ILE A 7 4.567 -1.371 -2.621 1.00 75.05 O ATOM 75 CB ILE A 7 2.773 -3.048 -0.551 1.00 54.23 C ATOM 76 CG1 ILE A 7 2.550 -4.438 0.047 1.00 54.22 C ATOM 77 CG2 ILE A 7 1.563 -2.158 -0.303 1.00 12.35 C ATOM 78 CD1 ILE A 7 3.593 -4.829 1.071 1.00 54.22 C ATOM 0 H ILE A 7 4.960 -3.984 -1.756 1.00 14.13 H new ATOM 0 HA ILE A 7 2.167 -3.527 -2.565 1.00 10.11 H new ATOM 0 HB ILE A 7 3.638 -2.598 -0.063 1.00 54.23 H new ATOM 0 HG12 ILE A 7 1.565 -4.471 0.513 1.00 54.22 H new ATOM 0 HG13 ILE A 7 2.547 -5.174 -0.757 1.00 54.22 H new ATOM 0 HG21 ILE A 7 1.373 -2.092 0.768 1.00 12.35 H new ATOM 0 HG22 ILE A 7 1.757 -1.161 -0.699 1.00 12.35 H new ATOM 0 HG23 ILE A 7 0.691 -2.583 -0.800 1.00 12.35 H new ATOM 0 HD11 ILE A 7 3.372 -5.826 1.453 1.00 54.22 H new ATOM 0 HD12 ILE A 7 4.578 -4.829 0.605 1.00 54.22 H new ATOM 0 HD13 ILE A 7 3.581 -4.114 1.894 1.00 54.22 H new ATOM 90 N LEU A 8 2.380 -1.040 -3.036 1.00 21.13 N ATOM 91 CA LEU A 8 2.573 0.301 -3.575 1.00 54.43 C ATOM 92 C LEU A 8 1.830 1.337 -2.735 1.00 64.24 C ATOM 93 O LEU A 8 0.626 1.221 -2.509 1.00 74.31 O ATOM 94 CB LEU A 8 2.090 0.363 -5.025 1.00 50.51 C ATOM 95 CG LEU A 8 2.363 1.672 -5.768 1.00 1.43 C ATOM 96 CD1 LEU A 8 1.328 2.724 -5.394 1.00 64.15 C ATOM 97 CD2 LEU A 8 3.768 2.174 -5.466 1.00 31.52 C ATOM 0 H LEU A 8 1.410 -1.355 -3.026 1.00 21.13 H new ATOM 0 HA LEU A 8 3.638 0.530 -3.543 1.00 54.43 H new ATOM 0 HB2 LEU A 8 2.559 -0.450 -5.578 1.00 50.51 H new ATOM 0 HB3 LEU A 8 1.016 0.179 -5.037 1.00 50.51 H new ATOM 0 HG LEU A 8 2.289 1.482 -6.839 1.00 1.43 H new ATOM 0 HD11 LEU A 8 1.538 3.648 -5.932 1.00 64.15 H new ATOM 0 HD12 LEU A 8 0.333 2.367 -5.661 1.00 64.15 H new ATOM 0 HD13 LEU A 8 1.371 2.911 -4.321 1.00 64.15 H new ATOM 0 HD21 LEU A 8 3.945 3.106 -6.003 1.00 31.52 H new ATOM 0 HD22 LEU A 8 3.870 2.348 -4.395 1.00 31.52 H new ATOM 0 HD23 LEU A 8 4.497 1.428 -5.784 1.00 31.52 H new ATOM 109 N LEU A 9 2.558 2.350 -2.278 1.00 15.15 N ATOM 110 CA LEU A 9 1.969 3.408 -1.464 1.00 0.51 C ATOM 111 C LEU A 9 1.813 4.693 -2.272 1.00 64.02 C ATOM 112 O LEU A 9 2.740 5.122 -2.961 1.00 30.51 O ATOM 113 CB LEU A 9 2.832 3.670 -0.229 1.00 50.31 C ATOM 114 CG LEU A 9 2.198 4.531 0.863 1.00 12.34 C ATOM 115 CD1 LEU A 9 0.866 3.941 1.302 1.00 25.34 C ATOM 116 CD2 LEU A 9 3.140 4.667 2.051 1.00 64.14 C ATOM 0 H LEU A 9 3.556 2.461 -2.457 1.00 15.15 H new ATOM 0 HA LEU A 9 0.980 3.079 -1.144 1.00 0.51 H new ATOM 0 HB2 LEU A 9 3.107 2.710 0.207 1.00 50.31 H new ATOM 0 HB3 LEU A 9 3.756 4.150 -0.551 1.00 50.31 H new ATOM 0 HG LEU A 9 2.016 5.525 0.454 1.00 12.34 H new ATOM 0 HD11 LEU A 9 0.429 4.567 2.080 1.00 25.34 H new ATOM 0 HD12 LEU A 9 0.189 3.897 0.449 1.00 25.34 H new ATOM 0 HD13 LEU A 9 1.024 2.936 1.692 1.00 25.34 H new ATOM 0 HD21 LEU A 9 2.671 5.283 2.818 1.00 64.14 H new ATOM 0 HD22 LEU A 9 3.355 3.680 2.460 1.00 64.14 H new ATOM 0 HD23 LEU A 9 4.069 5.136 1.727 1.00 64.14 H new ATOM 128 N VAL A 10 0.637 5.305 -2.181 1.00 63.14 N ATOM 129 CA VAL A 10 0.361 6.542 -2.901 1.00 41.21 C ATOM 130 C VAL A 10 0.441 7.748 -1.971 1.00 61.14 C ATOM 131 O VAL A 10 -0.550 8.133 -1.350 1.00 32.20 O ATOM 132 CB VAL A 10 -1.029 6.509 -3.562 1.00 13.40 C ATOM 133 CG1 VAL A 10 -1.212 7.708 -4.481 1.00 34.50 C ATOM 134 CG2 VAL A 10 -1.226 5.207 -4.323 1.00 55.40 C ATOM 0 H VAL A 10 -0.140 4.964 -1.615 1.00 63.14 H new ATOM 0 HA VAL A 10 1.121 6.633 -3.677 1.00 41.21 H new ATOM 0 HB VAL A 10 -1.786 6.563 -2.780 1.00 13.40 H new ATOM 0 HG11 VAL A 10 -2.200 7.668 -4.939 1.00 34.50 H new ATOM 0 HG12 VAL A 10 -1.117 8.627 -3.903 1.00 34.50 H new ATOM 0 HG13 VAL A 10 -0.450 7.689 -5.260 1.00 34.50 H new ATOM 0 HG21 VAL A 10 -2.214 5.201 -4.784 1.00 55.40 H new ATOM 0 HG22 VAL A 10 -0.464 5.119 -5.097 1.00 55.40 H new ATOM 0 HG23 VAL A 10 -1.142 4.367 -3.634 1.00 55.40 H new ATOM 144 N CYS A 11 1.627 8.340 -1.880 1.00 70.13 N ATOM 145 CA CYS A 11 1.838 9.504 -1.026 1.00 75.43 C ATOM 146 C CYS A 11 3.227 10.093 -1.244 1.00 1.33 C ATOM 147 O CYS A 11 4.164 9.385 -1.608 1.00 23.42 O ATOM 148 CB CYS A 11 1.656 9.122 0.443 1.00 31.25 C ATOM 149 SG CYS A 11 2.983 8.086 1.106 1.00 31.10 S ATOM 0 H CYS A 11 2.457 8.033 -2.387 1.00 70.13 H new ATOM 0 HA CYS A 11 1.098 10.259 -1.292 1.00 75.43 H new ATOM 0 HB2 CYS A 11 1.588 10.032 1.038 1.00 31.25 H new ATOM 0 HB3 CYS A 11 0.708 8.596 0.556 1.00 31.25 H new ATOM 0 HG CYS A 11 3.942 7.997 0.233 1.00 31.10 H new ATOM 232 N MET A 19 9.295 7.117 6.764 1.00 51.30 N ATOM 233 CA MET A 19 8.994 6.533 8.065 1.00 32.14 C ATOM 234 C MET A 19 8.285 5.192 7.909 1.00 20.13 C ATOM 235 O MET A 19 8.716 4.181 8.466 1.00 43.00 O ATOM 236 CB MET A 19 8.128 7.488 8.889 1.00 41.20 C ATOM 237 CG MET A 19 8.759 8.856 9.095 1.00 40.43 C ATOM 238 SD MET A 19 10.237 8.793 10.125 1.00 74.20 S ATOM 239 CE MET A 19 11.520 8.976 8.889 1.00 20.24 C ATOM 0 HA MET A 19 9.936 6.367 8.587 1.00 32.14 H new ATOM 0 HB2 MET A 19 7.165 7.612 8.393 1.00 41.20 H new ATOM 0 HB3 MET A 19 7.930 7.038 9.862 1.00 41.20 H new ATOM 0 HG2 MET A 19 9.015 9.283 8.125 1.00 40.43 H new ATOM 0 HG3 MET A 19 8.029 9.523 9.554 1.00 40.43 H new ATOM 0 HE1 MET A 19 12.497 8.956 9.373 1.00 20.24 H new ATOM 0 HE2 MET A 19 11.454 8.158 8.172 1.00 20.24 H new ATOM 0 HE3 MET A 19 11.392 9.925 8.369 1.00 20.24 H new ATOM 249 N LEU A 20 7.195 5.189 7.151 1.00 55.01 N ATOM 250 CA LEU A 20 6.425 3.972 6.921 1.00 34.23 C ATOM 251 C LEU A 20 7.326 2.840 6.439 1.00 3.11 C ATOM 252 O LEU A 20 7.367 1.766 7.039 1.00 42.02 O ATOM 253 CB LEU A 20 5.318 4.229 5.897 1.00 30.21 C ATOM 254 CG LEU A 20 3.974 4.690 6.463 1.00 64.32 C ATOM 255 CD1 LEU A 20 3.321 3.573 7.263 1.00 3.11 C ATOM 256 CD2 LEU A 20 4.155 5.931 7.323 1.00 34.44 C ATOM 0 H LEU A 20 6.824 6.017 6.685 1.00 55.01 H new ATOM 0 HA LEU A 20 5.973 3.675 7.867 1.00 34.23 H new ATOM 0 HB2 LEU A 20 5.670 4.982 5.192 1.00 30.21 H new ATOM 0 HB3 LEU A 20 5.156 3.313 5.330 1.00 30.21 H new ATOM 0 HG LEU A 20 3.318 4.943 5.630 1.00 64.32 H new ATOM 0 HD11 LEU A 20 2.366 3.919 7.658 1.00 3.11 H new ATOM 0 HD12 LEU A 20 3.156 2.711 6.616 1.00 3.11 H new ATOM 0 HD13 LEU A 20 3.973 3.287 8.088 1.00 3.11 H new ATOM 0 HD21 LEU A 20 3.188 6.245 7.717 1.00 34.44 H new ATOM 0 HD22 LEU A 20 4.828 5.706 8.150 1.00 34.44 H new ATOM 0 HD23 LEU A 20 4.578 6.734 6.719 1.00 34.44 H new ATOM 268 N VAL A 21 8.051 3.089 5.352 1.00 12.12 N ATOM 269 CA VAL A 21 8.954 2.093 4.791 1.00 43.35 C ATOM 270 C VAL A 21 9.906 1.554 5.853 1.00 44.24 C ATOM 271 O VAL A 21 10.141 0.349 5.934 1.00 31.05 O ATOM 272 CB VAL A 21 9.779 2.675 3.626 1.00 14.53 C ATOM 273 CG1 VAL A 21 10.684 1.609 3.027 1.00 2.43 C ATOM 274 CG2 VAL A 21 8.860 3.263 2.566 1.00 2.43 C ATOM 0 H VAL A 21 8.030 3.973 4.843 1.00 12.12 H new ATOM 0 HA VAL A 21 8.333 1.279 4.416 1.00 43.35 H new ATOM 0 HB VAL A 21 10.409 3.476 4.014 1.00 14.53 H new ATOM 0 HG11 VAL A 21 11.258 2.039 2.206 1.00 2.43 H new ATOM 0 HG12 VAL A 21 11.366 1.239 3.792 1.00 2.43 H new ATOM 0 HG13 VAL A 21 10.077 0.785 2.653 1.00 2.43 H new ATOM 0 HG21 VAL A 21 9.458 3.670 1.751 1.00 2.43 H new ATOM 0 HG22 VAL A 21 8.204 2.483 2.180 1.00 2.43 H new ATOM 0 HG23 VAL A 21 8.259 4.058 3.006 1.00 2.43 H new ATOM 284 N GLN A 22 10.452 2.455 6.664 1.00 15.20 N ATOM 285 CA GLN A 22 11.378 2.070 7.721 1.00 11.13 C ATOM 286 C GLN A 22 10.732 1.069 8.674 1.00 14.42 C ATOM 287 O GLN A 22 11.276 -0.006 8.924 1.00 0.22 O ATOM 288 CB GLN A 22 11.842 3.304 8.496 1.00 0.34 C ATOM 289 CG GLN A 22 13.077 3.965 7.905 1.00 15.30 C ATOM 290 CD GLN A 22 14.366 3.415 8.481 1.00 42.32 C ATOM 291 OE1 GLN A 22 14.392 2.909 9.603 1.00 3.15 O ATOM 292 NE2 GLN A 22 15.446 3.513 7.714 1.00 1.34 N ATOM 0 H GLN A 22 10.268 3.457 6.609 1.00 15.20 H new ATOM 0 HA GLN A 22 12.242 1.595 7.257 1.00 11.13 H new ATOM 0 HB2 GLN A 22 11.030 4.031 8.525 1.00 0.34 H new ATOM 0 HB3 GLN A 22 12.051 3.018 9.527 1.00 0.34 H new ATOM 0 HG2 GLN A 22 13.078 3.824 6.824 1.00 15.30 H new ATOM 0 HG3 GLN A 22 13.032 5.039 8.087 1.00 15.30 H new ATOM 0 HE21 GLN A 22 15.378 3.940 6.790 1.00 1.34 H new ATOM 0 HE22 GLN A 22 16.343 3.161 8.049 1.00 1.34 H new ATOM 301 N ARG A 23 9.567 1.432 9.202 1.00 31.43 N ATOM 302 CA ARG A 23 8.847 0.566 10.129 1.00 13.22 C ATOM 303 C ARG A 23 8.580 -0.799 9.503 1.00 63.34 C ATOM 304 O ARG A 23 9.041 -1.825 10.006 1.00 14.25 O ATOM 305 CB ARG A 23 7.525 1.215 10.544 1.00 55.23 C ATOM 306 CG ARG A 23 7.699 2.526 11.292 1.00 3.42 C ATOM 307 CD ARG A 23 7.352 2.377 12.765 1.00 14.25 C ATOM 308 NE ARG A 23 8.394 1.669 13.505 1.00 51.21 N ATOM 309 CZ ARG A 23 8.415 1.569 14.829 1.00 64.11 C ATOM 310 NH1 ARG A 23 7.457 2.127 15.555 1.00 24.12 N ATOM 311 NH2 ARG A 23 9.397 0.908 15.429 1.00 25.21 N ATOM 0 H ARG A 23 9.102 2.318 9.004 1.00 31.43 H new ATOM 0 HA ARG A 23 9.469 0.426 11.013 1.00 13.22 H new ATOM 0 HB2 ARG A 23 6.922 1.392 9.654 1.00 55.23 H new ATOM 0 HB3 ARG A 23 6.970 0.519 11.172 1.00 55.23 H new ATOM 0 HG2 ARG A 23 8.729 2.869 11.193 1.00 3.42 H new ATOM 0 HG3 ARG A 23 7.064 3.290 10.843 1.00 3.42 H new ATOM 0 HD2 ARG A 23 7.203 3.364 13.204 1.00 14.25 H new ATOM 0 HD3 ARG A 23 6.409 1.839 12.862 1.00 14.25 H new ATOM 0 HE ARG A 23 9.146 1.228 12.976 1.00 51.21 H new ATOM 0 HH11 ARG A 23 6.700 2.635 15.097 1.00 24.12 H new ATOM 0 HH12 ARG A 23 7.476 2.048 16.572 1.00 24.12 H new ATOM 0 HH21 ARG A 23 10.136 0.477 14.873 1.00 25.21 H new ATOM 0 HH22 ARG A 23 9.413 0.831 16.446 1.00 25.21 H new ATOM 325 N ILE A 24 7.835 -0.805 8.403 1.00 71.25 N ATOM 326 CA ILE A 24 7.508 -2.044 7.707 1.00 3.20 C ATOM 327 C ILE A 24 8.764 -2.858 7.415 1.00 1.50 C ATOM 328 O ILE A 24 8.778 -4.077 7.579 1.00 14.05 O ATOM 329 CB ILE A 24 6.769 -1.769 6.385 1.00 41.12 C ATOM 330 CG1 ILE A 24 5.484 -0.982 6.647 1.00 13.12 C ATOM 331 CG2 ILE A 24 6.459 -3.076 5.670 1.00 31.42 C ATOM 332 CD1 ILE A 24 5.277 0.173 5.692 1.00 50.10 C ATOM 0 H ILE A 24 7.446 0.035 7.974 1.00 71.25 H new ATOM 0 HA ILE A 24 6.854 -2.614 8.367 1.00 3.20 H new ATOM 0 HB ILE A 24 7.415 -1.170 5.743 1.00 41.12 H new ATOM 0 HG12 ILE A 24 4.632 -1.659 6.576 1.00 13.12 H new ATOM 0 HG13 ILE A 24 5.503 -0.600 7.668 1.00 13.12 H new ATOM 0 HG21 ILE A 24 5.936 -2.865 4.737 1.00 31.42 H new ATOM 0 HG22 ILE A 24 7.389 -3.602 5.454 1.00 31.42 H new ATOM 0 HG23 ILE A 24 5.829 -3.698 6.306 1.00 31.42 H new ATOM 0 HD11 ILE A 24 4.347 0.686 5.937 1.00 50.10 H new ATOM 0 HD12 ILE A 24 6.110 0.871 5.779 1.00 50.10 H new ATOM 0 HD13 ILE A 24 5.225 -0.204 4.671 1.00 50.10 H new ATOM 344 N GLU A 25 9.820 -2.173 6.983 1.00 34.44 N ATOM 345 CA GLU A 25 11.081 -2.834 6.669 1.00 43.40 C ATOM 346 C GLU A 25 11.618 -3.585 7.884 1.00 24.42 C ATOM 347 O GLU A 25 12.031 -4.741 7.780 1.00 4.55 O ATOM 348 CB GLU A 25 12.113 -1.810 6.192 1.00 64.34 C ATOM 349 CG GLU A 25 12.057 -1.542 4.697 1.00 3.51 C ATOM 350 CD GLU A 25 12.509 -2.731 3.873 1.00 25.32 C ATOM 351 OE1 GLU A 25 12.971 -3.727 4.472 1.00 40.41 O ATOM 352 OE2 GLU A 25 12.404 -2.669 2.631 1.00 74.11 O ATOM 0 H GLU A 25 9.826 -1.163 6.843 1.00 34.44 H new ATOM 0 HA GLU A 25 10.897 -3.553 5.871 1.00 43.40 H new ATOM 0 HB2 GLU A 25 11.957 -0.873 6.727 1.00 64.34 H new ATOM 0 HB3 GLU A 25 13.111 -2.164 6.452 1.00 64.34 H new ATOM 0 HG2 GLU A 25 11.037 -1.278 4.417 1.00 3.51 H new ATOM 0 HG3 GLU A 25 12.685 -0.682 4.462 1.00 3.51 H new ATOM 359 N LYS A 26 11.611 -2.921 9.034 1.00 21.21 N ATOM 360 CA LYS A 26 12.097 -3.524 10.270 1.00 51.31 C ATOM 361 C LYS A 26 11.242 -4.725 10.661 1.00 32.05 C ATOM 362 O LYS A 26 11.739 -5.847 10.758 1.00 30.41 O ATOM 363 CB LYS A 26 12.094 -2.493 11.400 1.00 13.31 C ATOM 364 CG LYS A 26 13.432 -1.802 11.598 1.00 24.41 C ATOM 365 CD LYS A 26 14.187 -2.378 12.784 1.00 61.24 C ATOM 366 CE LYS A 26 15.690 -2.210 12.624 1.00 63.44 C ATOM 367 NZ LYS A 26 16.440 -3.378 13.162 1.00 13.43 N ATOM 0 H LYS A 26 11.274 -1.964 9.137 1.00 21.21 H new ATOM 0 HA LYS A 26 13.118 -3.866 10.102 1.00 51.31 H new ATOM 0 HB2 LYS A 26 11.334 -1.740 11.192 1.00 13.31 H new ATOM 0 HB3 LYS A 26 11.808 -2.986 12.329 1.00 13.31 H new ATOM 0 HG2 LYS A 26 14.034 -1.908 10.696 1.00 24.41 H new ATOM 0 HG3 LYS A 26 13.272 -0.735 11.751 1.00 24.41 H new ATOM 0 HD2 LYS A 26 13.860 -1.884 13.699 1.00 61.24 H new ATOM 0 HD3 LYS A 26 13.947 -3.436 12.890 1.00 61.24 H new ATOM 0 HE2 LYS A 26 15.930 -2.079 11.569 1.00 63.44 H new ATOM 0 HE3 LYS A 26 16.011 -1.304 13.139 1.00 63.44 H new ATOM 0 HZ1 LYS A 26 17.461 -3.224 13.034 1.00 13.43 H new ATOM 0 HZ2 LYS A 26 16.231 -3.488 14.175 1.00 13.43 H new ATOM 0 HZ3 LYS A 26 16.153 -4.239 12.654 1.00 13.43 H new ATOM 381 N TYR A 27 9.955 -4.483 10.885 1.00 62.24 N ATOM 382 CA TYR A 27 9.033 -5.545 11.266 1.00 53.32 C ATOM 383 C TYR A 27 9.120 -6.718 10.295 1.00 52.14 C ATOM 384 O TYR A 27 9.264 -7.869 10.705 1.00 0.11 O ATOM 385 CB TYR A 27 7.600 -5.011 11.312 1.00 35.42 C ATOM 386 CG TYR A 27 6.575 -6.058 11.689 1.00 24.34 C ATOM 387 CD1 TYR A 27 6.055 -6.925 10.736 1.00 52.21 C ATOM 388 CD2 TYR A 27 6.130 -6.182 13.000 1.00 61.25 C ATOM 389 CE1 TYR A 27 5.118 -7.882 11.077 1.00 43.20 C ATOM 390 CE2 TYR A 27 5.196 -7.137 13.349 1.00 32.20 C ATOM 391 CZ TYR A 27 4.692 -7.985 12.385 1.00 41.33 C ATOM 392 OH TYR A 27 3.761 -8.938 12.728 1.00 44.42 O ATOM 0 H TYR A 27 9.527 -3.560 10.809 1.00 62.24 H new ATOM 0 HA TYR A 27 9.315 -5.898 12.258 1.00 53.32 H new ATOM 0 HB2 TYR A 27 7.550 -4.191 12.028 1.00 35.42 H new ATOM 0 HB3 TYR A 27 7.343 -4.598 10.336 1.00 35.42 H new ATOM 0 HD1 TYR A 27 6.389 -6.850 9.712 1.00 52.21 H new ATOM 0 HD2 TYR A 27 6.521 -5.520 13.758 1.00 61.25 H new ATOM 0 HE1 TYR A 27 4.721 -8.546 10.323 1.00 43.20 H new ATOM 0 HE2 TYR A 27 4.861 -7.220 14.373 1.00 32.20 H new ATOM 0 HH TYR A 27 3.570 -8.878 13.687 1.00 44.42 H new ATOM 402 N ALA A 28 9.031 -6.416 9.004 1.00 70.14 N ATOM 403 CA ALA A 28 9.103 -7.443 7.972 1.00 62.13 C ATOM 404 C ALA A 28 10.433 -8.187 8.029 1.00 64.13 C ATOM 405 O ALA A 28 10.467 -9.411 8.160 1.00 1.11 O ATOM 406 CB ALA A 28 8.900 -6.825 6.596 1.00 21.51 C ATOM 0 H ALA A 28 8.909 -5.468 8.648 1.00 70.14 H new ATOM 0 HA ALA A 28 8.306 -8.163 8.156 1.00 62.13 H new ATOM 0 HB1 ALA A 28 8.956 -7.604 5.835 1.00 21.51 H new ATOM 0 HB2 ALA A 28 7.922 -6.346 6.553 1.00 21.51 H new ATOM 0 HB3 ALA A 28 9.676 -6.082 6.413 1.00 21.51 H new ATOM 412 N LYS A 29 11.527 -7.440 7.929 1.00 22.31 N ATOM 413 CA LYS A 29 12.861 -8.027 7.970 1.00 23.31 C ATOM 414 C LYS A 29 13.031 -8.909 9.205 1.00 54.22 C ATOM 415 O LYS A 29 13.786 -9.880 9.186 1.00 22.11 O ATOM 416 CB LYS A 29 13.926 -6.928 7.966 1.00 20.42 C ATOM 417 CG LYS A 29 15.333 -7.442 8.216 1.00 53.21 C ATOM 418 CD LYS A 29 16.375 -6.564 7.544 1.00 71.55 C ATOM 419 CE LYS A 29 17.451 -7.398 6.864 1.00 0.24 C ATOM 420 NZ LYS A 29 18.563 -6.553 6.346 1.00 14.25 N ATOM 0 H LYS A 29 11.516 -6.426 7.819 1.00 22.31 H new ATOM 0 HA LYS A 29 12.984 -8.647 7.082 1.00 23.31 H new ATOM 0 HB2 LYS A 29 13.902 -6.414 7.005 1.00 20.42 H new ATOM 0 HB3 LYS A 29 13.677 -6.190 8.729 1.00 20.42 H new ATOM 0 HG2 LYS A 29 15.523 -7.478 9.289 1.00 53.21 H new ATOM 0 HG3 LYS A 29 15.420 -8.462 7.843 1.00 53.21 H new ATOM 0 HD2 LYS A 29 15.891 -5.922 6.808 1.00 71.55 H new ATOM 0 HD3 LYS A 29 16.834 -5.910 8.285 1.00 71.55 H new ATOM 0 HE2 LYS A 29 17.847 -8.126 7.572 1.00 0.24 H new ATOM 0 HE3 LYS A 29 17.009 -7.961 6.042 1.00 0.24 H new ATOM 0 HZ1 LYS A 29 19.275 -7.158 5.890 1.00 14.25 H new ATOM 0 HZ2 LYS A 29 18.189 -5.875 5.652 1.00 14.25 H new ATOM 0 HZ3 LYS A 29 19.002 -6.035 7.134 1.00 14.25 H new ATOM 434 N SER A 30 12.321 -8.563 10.274 1.00 73.11 N ATOM 435 CA SER A 30 12.395 -9.322 11.517 1.00 13.31 C ATOM 436 C SER A 30 11.638 -10.641 11.395 1.00 44.24 C ATOM 437 O SER A 30 12.152 -11.700 11.753 1.00 63.42 O ATOM 438 CB SER A 30 11.825 -8.499 12.675 1.00 73.11 C ATOM 439 OG SER A 30 12.824 -7.683 13.261 1.00 22.22 O ATOM 0 H SER A 30 11.689 -7.763 10.305 1.00 73.11 H new ATOM 0 HA SER A 30 13.443 -9.543 11.718 1.00 13.31 H new ATOM 0 HB2 SER A 30 11.007 -7.875 12.314 1.00 73.11 H new ATOM 0 HB3 SER A 30 11.408 -9.167 13.429 1.00 73.11 H new ATOM 0 HG SER A 30 12.434 -7.166 13.997 1.00 22.22 H new ATOM 445 N LYS A 31 10.414 -10.568 10.886 1.00 54.01 N ATOM 446 CA LYS A 31 9.584 -11.754 10.713 1.00 62.40 C ATOM 447 C LYS A 31 10.093 -12.611 9.558 1.00 43.32 C ATOM 448 O LYS A 31 9.699 -13.767 9.409 1.00 42.10 O ATOM 449 CB LYS A 31 8.129 -11.353 10.462 1.00 62.22 C ATOM 450 CG LYS A 31 7.301 -11.245 11.731 1.00 72.21 C ATOM 451 CD LYS A 31 7.804 -10.131 12.632 1.00 10.42 C ATOM 452 CE LYS A 31 8.437 -10.682 13.900 1.00 3.32 C ATOM 453 NZ LYS A 31 8.351 -9.715 15.029 1.00 21.23 N ATOM 0 H LYS A 31 9.974 -9.698 10.585 1.00 54.01 H new ATOM 0 HA LYS A 31 9.639 -12.341 11.630 1.00 62.40 H new ATOM 0 HB2 LYS A 31 8.109 -10.395 9.942 1.00 62.22 H new ATOM 0 HB3 LYS A 31 7.668 -12.085 9.799 1.00 62.22 H new ATOM 0 HG2 LYS A 31 6.258 -11.061 11.472 1.00 72.21 H new ATOM 0 HG3 LYS A 31 7.334 -12.192 12.269 1.00 72.21 H new ATOM 0 HD2 LYS A 31 8.534 -9.527 12.093 1.00 10.42 H new ATOM 0 HD3 LYS A 31 6.976 -9.472 12.894 1.00 10.42 H new ATOM 0 HE2 LYS A 31 7.941 -11.611 14.179 1.00 3.32 H new ATOM 0 HE3 LYS A 31 9.482 -10.924 13.708 1.00 3.32 H new ATOM 0 HZ1 LYS A 31 8.794 -10.128 15.875 1.00 21.23 H new ATOM 0 HZ2 LYS A 31 8.847 -8.837 14.773 1.00 21.23 H new ATOM 0 HZ3 LYS A 31 7.353 -9.503 15.229 1.00 21.23 H new ATOM 467 N ASN A 32 10.972 -12.036 8.744 1.00 54.41 N ATOM 468 CA ASN A 32 11.535 -12.747 7.603 1.00 42.24 C ATOM 469 C ASN A 32 10.449 -13.098 6.590 1.00 71.23 C ATOM 470 O ASN A 32 10.324 -14.250 6.172 1.00 5.23 O ATOM 471 CB ASN A 32 12.245 -14.021 8.067 1.00 1.23 C ATOM 472 CG ASN A 32 13.176 -14.583 7.011 1.00 74.25 C ATOM 473 OD1 ASN A 32 13.793 -13.837 6.251 1.00 3.31 O ATOM 474 ND2 ASN A 32 13.280 -15.906 6.958 1.00 12.54 N ATOM 0 H ASN A 32 11.310 -11.080 8.854 1.00 54.41 H new ATOM 0 HA ASN A 32 12.259 -12.091 7.121 1.00 42.24 H new ATOM 0 HB2 ASN A 32 12.814 -13.807 8.972 1.00 1.23 H new ATOM 0 HB3 ASN A 32 11.501 -14.773 8.329 1.00 1.23 H new ATOM 0 HD21 ASN A 32 13.890 -16.342 6.267 1.00 12.54 H new ATOM 0 HD22 ASN A 32 12.749 -16.486 7.608 1.00 12.54 H new ATOM 481 N ILE A 33 9.667 -12.098 6.199 1.00 33.24 N ATOM 482 CA ILE A 33 8.593 -12.301 5.235 1.00 72.01 C ATOM 483 C ILE A 33 9.011 -11.841 3.842 1.00 31.32 C ATOM 484 O ILE A 33 9.723 -10.850 3.692 1.00 70.01 O ATOM 485 CB ILE A 33 7.315 -11.548 5.649 1.00 54.32 C ATOM 486 CG1 ILE A 33 6.831 -12.034 7.016 1.00 10.43 C ATOM 487 CG2 ILE A 33 6.228 -11.731 4.601 1.00 63.35 C ATOM 488 CD1 ILE A 33 6.171 -10.953 7.844 1.00 2.30 C ATOM 0 H ILE A 33 9.757 -11.139 6.535 1.00 33.24 H new ATOM 0 HA ILE A 33 8.385 -13.371 5.215 1.00 72.01 H new ATOM 0 HB ILE A 33 7.546 -10.485 5.722 1.00 54.32 H new ATOM 0 HG12 ILE A 33 6.125 -12.852 6.872 1.00 10.43 H new ATOM 0 HG13 ILE A 33 7.679 -12.438 7.570 1.00 10.43 H new ATOM 0 HG21 ILE A 33 5.332 -11.193 4.909 1.00 63.35 H new ATOM 0 HG22 ILE A 33 6.575 -11.341 3.644 1.00 63.35 H new ATOM 0 HG23 ILE A 33 5.997 -12.791 4.498 1.00 63.35 H new ATOM 0 HD11 ILE A 33 5.853 -11.370 8.800 1.00 2.30 H new ATOM 0 HD12 ILE A 33 6.881 -10.144 8.019 1.00 2.30 H new ATOM 0 HD13 ILE A 33 5.303 -10.565 7.311 1.00 2.30 H new ATOM 500 N ASN A 34 8.562 -12.570 2.825 1.00 23.25 N ATOM 501 CA ASN A 34 8.888 -12.238 1.443 1.00 4.10 C ATOM 502 C ASN A 34 7.931 -11.183 0.897 1.00 53.02 C ATOM 503 O ASN A 34 6.963 -11.506 0.209 1.00 34.10 O ATOM 504 CB ASN A 34 8.836 -13.492 0.569 1.00 24.02 C ATOM 505 CG ASN A 34 9.623 -14.645 1.164 1.00 35.22 C ATOM 506 OD1 ASN A 34 9.103 -15.751 1.316 1.00 64.24 O ATOM 507 ND2 ASN A 34 10.880 -14.390 1.505 1.00 43.12 N ATOM 0 H ASN A 34 7.971 -13.395 2.932 1.00 23.25 H new ATOM 0 HA ASN A 34 9.899 -11.831 1.422 1.00 4.10 H new ATOM 0 HB2 ASN A 34 7.798 -13.795 0.435 1.00 24.02 H new ATOM 0 HB3 ASN A 34 9.230 -13.259 -0.420 1.00 24.02 H new ATOM 0 HD21 ASN A 34 11.457 -15.126 1.912 1.00 43.12 H new ATOM 0 HD22 ASN A 34 11.269 -13.458 1.361 1.00 43.12 H new ATOM 514 N ALA A 35 8.208 -9.922 1.208 1.00 42.35 N ATOM 515 CA ALA A 35 7.374 -8.820 0.746 1.00 40.34 C ATOM 516 C ALA A 35 8.187 -7.538 0.602 1.00 71.23 C ATOM 517 O ALA A 35 9.311 -7.443 1.097 1.00 60.43 O ATOM 518 CB ALA A 35 6.209 -8.603 1.701 1.00 21.43 C ATOM 0 H ALA A 35 9.004 -9.638 1.779 1.00 42.35 H new ATOM 0 HA ALA A 35 6.981 -9.082 -0.236 1.00 40.34 H new ATOM 0 HB1 ALA A 35 5.594 -7.777 1.343 1.00 21.43 H new ATOM 0 HB2 ALA A 35 5.605 -9.509 1.750 1.00 21.43 H new ATOM 0 HB3 ALA A 35 6.592 -8.367 2.694 1.00 21.43 H new ATOM 524 N THR A 36 7.614 -6.552 -0.082 1.00 50.12 N ATOM 525 CA THR A 36 8.286 -5.277 -0.294 1.00 50.12 C ATOM 526 C THR A 36 7.294 -4.119 -0.257 1.00 61.33 C ATOM 527 O THR A 36 6.088 -4.319 -0.403 1.00 4.30 O ATOM 528 CB THR A 36 9.035 -5.253 -1.639 1.00 44.05 C ATOM 529 OG1 THR A 36 8.542 -6.292 -2.493 1.00 50.02 O ATOM 530 CG2 THR A 36 10.531 -5.431 -1.429 1.00 63.35 C ATOM 0 H THR A 36 6.685 -6.613 -0.499 1.00 50.12 H new ATOM 0 HA THR A 36 9.006 -5.161 0.516 1.00 50.12 H new ATOM 0 HB THR A 36 8.862 -4.284 -2.108 1.00 44.05 H new ATOM 0 HG1 THR A 36 9.291 -6.703 -2.974 1.00 50.02 H new ATOM 0 HG21 THR A 36 11.039 -5.411 -2.393 1.00 63.35 H new ATOM 0 HG22 THR A 36 10.909 -4.623 -0.803 1.00 63.35 H new ATOM 0 HG23 THR A 36 10.719 -6.387 -0.940 1.00 63.35 H new ATOM 538 N ILE A 37 7.811 -2.911 -0.063 1.00 54.12 N ATOM 539 CA ILE A 37 6.969 -1.721 -0.009 1.00 73.32 C ATOM 540 C ILE A 37 7.693 -0.509 -0.585 1.00 5.03 C ATOM 541 O ILE A 37 8.894 -0.334 -0.375 1.00 12.21 O ATOM 542 CB ILE A 37 6.531 -1.406 1.434 1.00 74.21 C ATOM 543 CG1 ILE A 37 5.474 -0.300 1.438 1.00 22.25 C ATOM 544 CG2 ILE A 37 7.732 -1.003 2.276 1.00 31.32 C ATOM 545 CD1 ILE A 37 4.321 -0.571 2.379 1.00 13.00 C ATOM 0 H ILE A 37 8.807 -2.730 0.059 1.00 54.12 H new ATOM 0 HA ILE A 37 6.085 -1.932 -0.610 1.00 73.32 H new ATOM 0 HB ILE A 37 6.092 -2.304 1.870 1.00 74.21 H new ATOM 0 HG12 ILE A 37 5.946 0.642 1.717 1.00 22.25 H new ATOM 0 HG13 ILE A 37 5.086 -0.175 0.427 1.00 22.25 H new ATOM 0 HG21 ILE A 37 7.406 -0.784 3.293 1.00 31.32 H new ATOM 0 HG22 ILE A 37 8.454 -1.819 2.294 1.00 31.32 H new ATOM 0 HG23 ILE A 37 8.198 -0.117 1.845 1.00 31.32 H new ATOM 0 HD11 ILE A 37 3.610 0.254 2.330 1.00 13.00 H new ATOM 0 HD12 ILE A 37 3.824 -1.496 2.088 1.00 13.00 H new ATOM 0 HD13 ILE A 37 4.697 -0.666 3.398 1.00 13.00 H new ATOM 557 N GLU A 38 6.956 0.326 -1.309 1.00 14.23 N ATOM 558 CA GLU A 38 7.528 1.523 -1.914 1.00 3.03 C ATOM 559 C GLU A 38 6.448 2.564 -2.188 1.00 74.14 C ATOM 560 O GLU A 38 5.325 2.226 -2.559 1.00 75.43 O ATOM 561 CB GLU A 38 8.252 1.168 -3.215 1.00 35.53 C ATOM 562 CG GLU A 38 9.224 2.237 -3.681 1.00 44.30 C ATOM 563 CD GLU A 38 10.433 1.657 -4.391 1.00 71.15 C ATOM 564 OE1 GLU A 38 10.285 1.222 -5.553 1.00 0.32 O ATOM 565 OE2 GLU A 38 11.525 1.637 -3.786 1.00 34.15 O ATOM 0 H GLU A 38 5.961 0.196 -1.491 1.00 14.23 H new ATOM 0 HA GLU A 38 8.246 1.946 -1.211 1.00 3.03 H new ATOM 0 HB2 GLU A 38 8.793 0.232 -3.076 1.00 35.53 H new ATOM 0 HB3 GLU A 38 7.513 0.995 -3.997 1.00 35.53 H new ATOM 0 HG2 GLU A 38 8.708 2.924 -4.352 1.00 44.30 H new ATOM 0 HG3 GLU A 38 9.557 2.820 -2.822 1.00 44.30 H new ATOM 572 N ALA A 39 6.795 3.833 -2.000 1.00 63.04 N ATOM 573 CA ALA A 39 5.857 4.925 -2.229 1.00 73.22 C ATOM 574 C ALA A 39 6.287 5.780 -3.415 1.00 45.53 C ATOM 575 O ALA A 39 7.477 5.891 -3.714 1.00 13.14 O ATOM 576 CB ALA A 39 5.729 5.781 -0.977 1.00 75.02 C ATOM 0 H ALA A 39 7.720 4.130 -1.689 1.00 63.04 H new ATOM 0 HA ALA A 39 4.884 4.492 -2.462 1.00 73.22 H new ATOM 0 HB1 ALA A 39 5.026 6.593 -1.162 1.00 75.02 H new ATOM 0 HB2 ALA A 39 5.367 5.167 -0.152 1.00 75.02 H new ATOM 0 HB3 ALA A 39 6.703 6.197 -0.719 1.00 75.02 H new ATOM 582 N ILE A 40 5.314 6.382 -4.089 1.00 15.31 N ATOM 583 CA ILE A 40 5.593 7.228 -5.243 1.00 13.24 C ATOM 584 C ILE A 40 4.461 8.221 -5.484 1.00 35.21 C ATOM 585 O ILE A 40 3.443 8.198 -4.792 1.00 25.34 O ATOM 586 CB ILE A 40 5.805 6.389 -6.517 1.00 64.03 C ATOM 587 CG1 ILE A 40 4.903 5.155 -6.498 1.00 62.51 C ATOM 588 CG2 ILE A 40 7.265 5.983 -6.646 1.00 44.22 C ATOM 589 CD1 ILE A 40 3.430 5.483 -6.392 1.00 31.00 C ATOM 0 H ILE A 40 4.324 6.300 -3.856 1.00 15.31 H new ATOM 0 HA ILE A 40 6.510 7.774 -5.020 1.00 13.24 H new ATOM 0 HB ILE A 40 5.539 6.996 -7.382 1.00 64.03 H new ATOM 0 HG12 ILE A 40 5.073 4.577 -7.406 1.00 62.51 H new ATOM 0 HG13 ILE A 40 5.187 4.521 -5.658 1.00 62.51 H new ATOM 0 HG21 ILE A 40 7.399 5.391 -7.551 1.00 44.22 H new ATOM 0 HG22 ILE A 40 7.887 6.876 -6.701 1.00 44.22 H new ATOM 0 HG23 ILE A 40 7.556 5.391 -5.778 1.00 44.22 H new ATOM 0 HD11 ILE A 40 2.851 4.559 -6.384 1.00 31.00 H new ATOM 0 HD12 ILE A 40 3.246 6.035 -5.470 1.00 31.00 H new ATOM 0 HD13 ILE A 40 3.130 6.092 -7.245 1.00 31.00 H new ATOM 601 N ALA A 41 4.644 9.089 -6.473 1.00 13.52 N ATOM 602 CA ALA A 41 3.636 10.088 -6.809 1.00 14.23 C ATOM 603 C ALA A 41 2.423 9.444 -7.471 1.00 24.41 C ATOM 604 O ALA A 41 2.376 8.227 -7.647 1.00 33.42 O ATOM 605 CB ALA A 41 4.231 11.154 -7.716 1.00 61.42 C ATOM 0 H ALA A 41 5.481 9.121 -7.056 1.00 13.52 H new ATOM 0 HA ALA A 41 3.304 10.558 -5.883 1.00 14.23 H new ATOM 0 HB1 ALA A 41 3.467 11.893 -7.959 1.00 61.42 H new ATOM 0 HB2 ALA A 41 5.061 11.644 -7.206 1.00 61.42 H new ATOM 0 HB3 ALA A 41 4.592 10.690 -8.634 1.00 61.42 H new ATOM 611 N GLU A 42 1.446 10.267 -7.835 1.00 35.24 N ATOM 612 CA GLU A 42 0.232 9.775 -8.476 1.00 3.12 C ATOM 613 C GLU A 42 0.454 9.565 -9.971 1.00 72.24 C ATOM 614 O GLU A 42 -0.148 8.682 -10.582 1.00 71.42 O ATOM 615 CB GLU A 42 -0.923 10.753 -8.253 1.00 13.02 C ATOM 616 CG GLU A 42 -0.601 12.179 -8.667 1.00 61.11 C ATOM 617 CD GLU A 42 -1.677 12.789 -9.544 1.00 34.30 C ATOM 618 OE1 GLU A 42 -2.073 12.142 -10.536 1.00 30.14 O ATOM 619 OE2 GLU A 42 -2.125 13.914 -9.238 1.00 32.04 O ATOM 0 H GLU A 42 1.471 11.277 -7.697 1.00 35.24 H new ATOM 0 HA GLU A 42 -0.023 8.816 -8.025 1.00 3.12 H new ATOM 0 HB2 GLU A 42 -1.793 10.409 -8.813 1.00 13.02 H new ATOM 0 HB3 GLU A 42 -1.198 10.743 -7.198 1.00 13.02 H new ATOM 0 HG2 GLU A 42 -0.474 12.792 -7.775 1.00 61.11 H new ATOM 0 HG3 GLU A 42 0.349 12.192 -9.201 1.00 61.11 H new ATOM 626 N THR A 43 1.321 10.385 -10.556 1.00 13.32 N ATOM 627 CA THR A 43 1.621 10.292 -11.979 1.00 3.43 C ATOM 628 C THR A 43 2.432 9.039 -12.288 1.00 52.12 C ATOM 629 O THR A 43 2.360 8.499 -13.393 1.00 1.54 O ATOM 630 CB THR A 43 2.399 11.527 -12.470 1.00 1.51 C ATOM 631 OG1 THR A 43 2.587 11.456 -13.888 1.00 70.12 O ATOM 632 CG2 THR A 43 3.751 11.627 -11.779 1.00 2.24 C ATOM 0 H THR A 43 1.828 11.122 -10.066 1.00 13.32 H new ATOM 0 HA THR A 43 0.666 10.242 -12.502 1.00 3.43 H new ATOM 0 HB THR A 43 1.817 12.415 -12.224 1.00 1.51 H new ATOM 0 HG1 THR A 43 3.081 12.246 -14.192 1.00 70.12 H new ATOM 0 HG21 THR A 43 4.281 12.507 -12.143 1.00 2.24 H new ATOM 0 HG22 THR A 43 3.604 11.711 -10.702 1.00 2.24 H new ATOM 0 HG23 THR A 43 4.338 10.734 -11.996 1.00 2.24 H new ATOM 640 N ARG A 44 3.202 8.581 -11.307 1.00 63.44 N ATOM 641 CA ARG A 44 4.026 7.390 -11.477 1.00 44.10 C ATOM 642 C ARG A 44 3.293 6.147 -10.984 1.00 70.52 C ATOM 643 O ARG A 44 3.718 5.019 -11.242 1.00 2.03 O ATOM 644 CB ARG A 44 5.348 7.548 -10.723 1.00 65.30 C ATOM 645 CG ARG A 44 6.567 7.147 -11.538 1.00 55.24 C ATOM 646 CD ARG A 44 7.756 6.828 -10.645 1.00 53.45 C ATOM 647 NE ARG A 44 9.010 6.802 -11.392 1.00 54.23 N ATOM 648 CZ ARG A 44 10.117 6.217 -10.950 1.00 75.30 C ATOM 649 NH1 ARG A 44 10.124 5.611 -9.771 1.00 32.14 N ATOM 650 NH2 ARG A 44 11.219 6.235 -11.687 1.00 41.22 N ATOM 0 H ARG A 44 3.273 9.016 -10.387 1.00 63.44 H new ATOM 0 HA ARG A 44 4.233 7.270 -12.540 1.00 44.10 H new ATOM 0 HB2 ARG A 44 5.456 8.587 -10.411 1.00 65.30 H new ATOM 0 HB3 ARG A 44 5.313 6.944 -9.816 1.00 65.30 H new ATOM 0 HG2 ARG A 44 6.327 6.277 -12.150 1.00 55.24 H new ATOM 0 HG3 ARG A 44 6.830 7.954 -12.221 1.00 55.24 H new ATOM 0 HD2 ARG A 44 7.823 7.572 -9.851 1.00 53.45 H new ATOM 0 HD3 ARG A 44 7.600 5.862 -10.165 1.00 53.45 H new ATOM 0 HE ARG A 44 9.037 7.258 -12.304 1.00 54.23 H new ATOM 0 HH11 ARG A 44 9.278 5.593 -9.202 1.00 32.14 H new ATOM 0 HH12 ARG A 44 10.975 5.162 -9.433 1.00 32.14 H new ATOM 0 HH21 ARG A 44 11.217 6.699 -12.595 1.00 41.22 H new ATOM 0 HH22 ARG A 44 12.068 5.785 -11.346 1.00 41.22 H new ATOM 664 N LEU A 45 2.190 6.359 -10.274 1.00 25.41 N ATOM 665 CA LEU A 45 1.398 5.255 -9.745 1.00 31.14 C ATOM 666 C LEU A 45 0.985 4.297 -10.857 1.00 53.23 C ATOM 667 O LEU A 45 1.034 3.079 -10.691 1.00 62.35 O ATOM 668 CB LEU A 45 0.155 5.790 -9.030 1.00 5.31 C ATOM 669 CG LEU A 45 -0.963 4.778 -8.779 1.00 50.05 C ATOM 670 CD1 LEU A 45 -1.691 5.097 -7.482 1.00 72.22 C ATOM 671 CD2 LEU A 45 -1.937 4.760 -9.949 1.00 41.21 C ATOM 0 H LEU A 45 1.824 7.285 -10.052 1.00 25.41 H new ATOM 0 HA LEU A 45 2.015 4.709 -9.031 1.00 31.14 H new ATOM 0 HB2 LEU A 45 0.463 6.206 -8.071 1.00 5.31 H new ATOM 0 HB3 LEU A 45 -0.252 6.612 -9.618 1.00 5.31 H new ATOM 0 HG LEU A 45 -0.517 3.788 -8.687 1.00 50.05 H new ATOM 0 HD11 LEU A 45 -2.483 4.366 -7.320 1.00 72.22 H new ATOM 0 HD12 LEU A 45 -0.987 5.059 -6.651 1.00 72.22 H new ATOM 0 HD13 LEU A 45 -2.125 6.095 -7.544 1.00 72.22 H new ATOM 0 HD21 LEU A 45 -2.727 4.034 -9.754 1.00 41.21 H new ATOM 0 HD22 LEU A 45 -2.376 5.750 -10.072 1.00 41.21 H new ATOM 0 HD23 LEU A 45 -1.406 4.483 -10.860 1.00 41.21 H new ATOM 683 N SER A 46 0.581 4.857 -11.994 1.00 32.03 N ATOM 684 CA SER A 46 0.158 4.054 -13.134 1.00 30.53 C ATOM 685 C SER A 46 1.359 3.414 -13.823 1.00 63.02 C ATOM 686 O SER A 46 1.206 2.549 -14.685 1.00 52.53 O ATOM 687 CB SER A 46 -0.618 4.915 -14.132 1.00 25.41 C ATOM 688 OG SER A 46 -0.833 6.219 -13.621 1.00 62.12 O ATOM 0 H SER A 46 0.538 5.864 -12.149 1.00 32.03 H new ATOM 0 HA SER A 46 -0.493 3.261 -12.766 1.00 30.53 H new ATOM 0 HB2 SER A 46 -0.067 4.975 -15.071 1.00 25.41 H new ATOM 0 HB3 SER A 46 -1.576 4.445 -14.354 1.00 25.41 H new ATOM 0 HG SER A 46 -1.329 6.750 -14.278 1.00 62.12 H new ATOM 694 N GLU A 47 2.555 3.846 -13.435 1.00 42.45 N ATOM 695 CA GLU A 47 3.784 3.317 -14.016 1.00 74.40 C ATOM 696 C GLU A 47 4.451 2.325 -13.067 1.00 42.42 C ATOM 697 O GLU A 47 5.537 1.818 -13.345 1.00 61.34 O ATOM 698 CB GLU A 47 4.751 4.456 -14.344 1.00 63.42 C ATOM 699 CG GLU A 47 5.012 4.624 -15.831 1.00 53.44 C ATOM 700 CD GLU A 47 5.860 3.506 -16.406 1.00 41.41 C ATOM 701 OE1 GLU A 47 5.283 2.493 -16.853 1.00 3.01 O ATOM 702 OE2 GLU A 47 7.101 3.645 -16.408 1.00 62.11 O ATOM 0 H GLU A 47 2.699 4.560 -12.721 1.00 42.45 H new ATOM 0 HA GLU A 47 3.525 2.794 -14.937 1.00 74.40 H new ATOM 0 HB2 GLU A 47 4.349 5.388 -13.947 1.00 63.42 H new ATOM 0 HB3 GLU A 47 5.698 4.275 -13.836 1.00 63.42 H new ATOM 0 HG2 GLU A 47 4.060 4.662 -16.361 1.00 53.44 H new ATOM 0 HG3 GLU A 47 5.511 5.578 -16.003 1.00 53.44 H new ATOM 709 N VAL A 48 3.793 2.055 -11.944 1.00 73.03 N ATOM 710 CA VAL A 48 4.321 1.124 -10.954 1.00 71.01 C ATOM 711 C VAL A 48 3.298 0.046 -10.614 1.00 62.32 C ATOM 712 O VAL A 48 3.651 -1.116 -10.408 1.00 63.31 O ATOM 713 CB VAL A 48 4.730 1.854 -9.661 1.00 33.34 C ATOM 714 CG1 VAL A 48 5.910 2.778 -9.919 1.00 50.03 C ATOM 715 CG2 VAL A 48 3.551 2.628 -9.089 1.00 61.05 C ATOM 0 H VAL A 48 2.893 2.468 -11.697 1.00 73.03 H new ATOM 0 HA VAL A 48 5.203 0.658 -11.394 1.00 71.01 H new ATOM 0 HB VAL A 48 5.037 1.109 -8.926 1.00 33.34 H new ATOM 0 HG11 VAL A 48 6.184 3.285 -8.994 1.00 50.03 H new ATOM 0 HG12 VAL A 48 6.758 2.194 -10.278 1.00 50.03 H new ATOM 0 HG13 VAL A 48 5.635 3.518 -10.670 1.00 50.03 H new ATOM 0 HG21 VAL A 48 3.859 3.137 -8.176 1.00 61.05 H new ATOM 0 HG22 VAL A 48 3.211 3.364 -9.818 1.00 61.05 H new ATOM 0 HG23 VAL A 48 2.738 1.938 -8.863 1.00 61.05 H new ATOM 725 N VAL A 49 2.030 0.437 -10.558 1.00 32.24 N ATOM 726 CA VAL A 49 0.955 -0.497 -10.244 1.00 14.03 C ATOM 727 C VAL A 49 0.872 -1.608 -11.284 1.00 14.23 C ATOM 728 O VAL A 49 0.373 -2.698 -11.004 1.00 31.42 O ATOM 729 CB VAL A 49 -0.406 0.220 -10.164 1.00 72.13 C ATOM 730 CG1 VAL A 49 -0.420 1.214 -9.013 1.00 22.34 C ATOM 731 CG2 VAL A 49 -0.721 0.913 -11.482 1.00 23.23 C ATOM 0 H VAL A 49 1.721 1.394 -10.726 1.00 32.24 H new ATOM 0 HA VAL A 49 1.186 -0.931 -9.271 1.00 14.03 H new ATOM 0 HB VAL A 49 -1.179 -0.525 -9.977 1.00 72.13 H new ATOM 0 HG11 VAL A 49 -1.390 1.710 -8.973 1.00 22.34 H new ATOM 0 HG12 VAL A 49 -0.243 0.687 -8.075 1.00 22.34 H new ATOM 0 HG13 VAL A 49 0.362 1.958 -9.165 1.00 22.34 H new ATOM 0 HG21 VAL A 49 -1.686 1.414 -11.408 1.00 23.23 H new ATOM 0 HG22 VAL A 49 0.054 1.648 -11.701 1.00 23.23 H new ATOM 0 HG23 VAL A 49 -0.757 0.174 -12.282 1.00 23.23 H new ATOM 741 N ASP A 50 1.362 -1.324 -12.486 1.00 30.53 N ATOM 742 CA ASP A 50 1.345 -2.300 -13.568 1.00 51.02 C ATOM 743 C ASP A 50 2.187 -3.522 -13.212 1.00 70.24 C ATOM 744 O ASP A 50 1.962 -4.616 -13.732 1.00 14.54 O ATOM 745 CB ASP A 50 1.863 -1.668 -14.861 1.00 40.23 C ATOM 746 CG ASP A 50 0.995 -2.004 -16.058 1.00 42.03 C ATOM 747 OD1 ASP A 50 0.386 -3.094 -16.063 1.00 1.22 O ATOM 748 OD2 ASP A 50 0.923 -1.175 -16.990 1.00 1.53 O ATOM 0 H ASP A 50 1.776 -0.426 -12.735 1.00 30.53 H new ATOM 0 HA ASP A 50 0.314 -2.622 -13.717 1.00 51.02 H new ATOM 0 HB2 ASP A 50 1.907 -0.586 -14.740 1.00 40.23 H new ATOM 0 HB3 ASP A 50 2.881 -2.010 -15.047 1.00 40.23 H new ATOM 753 N ARG A 51 3.156 -3.328 -12.325 1.00 33.21 N ATOM 754 CA ARG A 51 4.033 -4.413 -11.901 1.00 30.43 C ATOM 755 C ARG A 51 3.739 -4.818 -10.460 1.00 23.13 C ATOM 756 O ARG A 51 3.776 -6.000 -10.115 1.00 53.24 O ATOM 757 CB ARG A 51 5.499 -3.997 -12.037 1.00 74.01 C ATOM 758 CG ARG A 51 5.816 -3.310 -13.355 1.00 4.34 C ATOM 759 CD ARG A 51 7.285 -3.461 -13.721 1.00 0.14 C ATOM 760 NE ARG A 51 7.985 -2.179 -13.712 1.00 4.50 N ATOM 761 CZ ARG A 51 9.308 -2.065 -13.678 1.00 11.04 C ATOM 762 NH1 ARG A 51 10.071 -3.149 -13.649 1.00 34.34 N ATOM 763 NH2 ARG A 51 9.872 -0.863 -13.672 1.00 1.22 N ATOM 0 H ARG A 51 3.354 -2.429 -11.885 1.00 33.21 H new ATOM 0 HA ARG A 51 3.846 -5.271 -12.547 1.00 30.43 H new ATOM 0 HB2 ARG A 51 5.756 -3.327 -11.217 1.00 74.01 H new ATOM 0 HB3 ARG A 51 6.130 -4.880 -11.936 1.00 74.01 H new ATOM 0 HG2 ARG A 51 5.197 -3.734 -14.146 1.00 4.34 H new ATOM 0 HG3 ARG A 51 5.564 -2.252 -13.285 1.00 4.34 H new ATOM 0 HD2 ARG A 51 7.766 -4.142 -13.018 1.00 0.14 H new ATOM 0 HD3 ARG A 51 7.368 -3.913 -14.710 1.00 0.14 H new ATOM 0 HE ARG A 51 7.428 -1.325 -13.733 1.00 4.50 H new ATOM 0 HH11 ARG A 51 9.642 -4.075 -13.653 1.00 34.34 H new ATOM 0 HH12 ARG A 51 11.087 -3.057 -13.623 1.00 34.34 H new ATOM 0 HH21 ARG A 51 9.289 -0.026 -13.693 1.00 1.22 H new ATOM 0 HH22 ARG A 51 10.888 -0.777 -13.646 1.00 1.22 H new ATOM 777 N PHE A 52 3.448 -3.829 -9.620 1.00 22.50 N ATOM 778 CA PHE A 52 3.150 -4.082 -8.216 1.00 23.25 C ATOM 779 C PHE A 52 1.976 -5.047 -8.074 1.00 14.43 C ATOM 780 O PHE A 52 1.410 -5.502 -9.067 1.00 72.44 O ATOM 781 CB PHE A 52 2.836 -2.770 -7.495 1.00 61.11 C ATOM 782 CG PHE A 52 4.046 -2.112 -6.893 1.00 72.35 C ATOM 783 CD1 PHE A 52 4.730 -2.713 -5.849 1.00 40.25 C ATOM 784 CD2 PHE A 52 4.499 -0.895 -7.374 1.00 12.40 C ATOM 785 CE1 PHE A 52 5.843 -2.109 -5.294 1.00 30.03 C ATOM 786 CE2 PHE A 52 5.612 -0.286 -6.823 1.00 74.25 C ATOM 787 CZ PHE A 52 6.285 -0.895 -5.783 1.00 21.44 C ATOM 0 H PHE A 52 3.412 -2.846 -9.888 1.00 22.50 H new ATOM 0 HA PHE A 52 4.029 -4.538 -7.760 1.00 23.25 H new ATOM 0 HB2 PHE A 52 2.370 -2.081 -8.199 1.00 61.11 H new ATOM 0 HB3 PHE A 52 2.107 -2.963 -6.707 1.00 61.11 H new ATOM 0 HD1 PHE A 52 4.390 -3.663 -5.465 1.00 40.25 H new ATOM 0 HD2 PHE A 52 3.977 -0.416 -8.189 1.00 12.40 H new ATOM 0 HE1 PHE A 52 6.367 -2.586 -4.479 1.00 30.03 H new ATOM 0 HE2 PHE A 52 5.954 0.664 -7.206 1.00 74.25 H new ATOM 0 HZ PHE A 52 7.156 -0.423 -5.352 1.00 21.44 H new ATOM 797 N ASP A 53 1.616 -5.353 -6.832 1.00 41.21 N ATOM 798 CA ASP A 53 0.508 -6.261 -6.559 1.00 25.30 C ATOM 799 C ASP A 53 -0.604 -5.549 -5.796 1.00 44.10 C ATOM 800 O ASP A 53 -1.773 -5.619 -6.175 1.00 55.23 O ATOM 801 CB ASP A 53 0.999 -7.470 -5.759 1.00 73.44 C ATOM 802 CG ASP A 53 1.644 -8.523 -6.639 1.00 4.02 C ATOM 803 OD1 ASP A 53 1.340 -8.552 -7.850 1.00 64.04 O ATOM 804 OD2 ASP A 53 2.454 -9.317 -6.117 1.00 70.21 O ATOM 0 H ASP A 53 2.075 -4.986 -5.999 1.00 41.21 H new ATOM 0 HA ASP A 53 0.107 -6.603 -7.513 1.00 25.30 H new ATOM 0 HB2 ASP A 53 1.717 -7.138 -5.009 1.00 73.44 H new ATOM 0 HB3 ASP A 53 0.159 -7.913 -5.223 1.00 73.44 H new ATOM 809 N VAL A 54 -0.232 -4.865 -4.718 1.00 60.52 N ATOM 810 CA VAL A 54 -1.198 -4.141 -3.902 1.00 55.04 C ATOM 811 C VAL A 54 -1.040 -2.634 -4.073 1.00 33.04 C ATOM 812 O VAL A 54 0.071 -2.129 -4.229 1.00 22.13 O ATOM 813 CB VAL A 54 -1.052 -4.496 -2.411 1.00 53.10 C ATOM 814 CG1 VAL A 54 -2.192 -3.893 -1.603 1.00 51.23 C ATOM 815 CG2 VAL A 54 -0.997 -6.004 -2.226 1.00 23.53 C ATOM 0 H VAL A 54 0.732 -4.798 -4.390 1.00 60.52 H new ATOM 0 HA VAL A 54 -2.189 -4.441 -4.243 1.00 55.04 H new ATOM 0 HB VAL A 54 -0.116 -4.073 -2.045 1.00 53.10 H new ATOM 0 HG11 VAL A 54 -2.071 -4.155 -0.552 1.00 51.23 H new ATOM 0 HG12 VAL A 54 -2.180 -2.808 -1.710 1.00 51.23 H new ATOM 0 HG13 VAL A 54 -3.142 -4.283 -1.967 1.00 51.23 H new ATOM 0 HG21 VAL A 54 -0.894 -6.237 -1.166 1.00 23.53 H new ATOM 0 HG22 VAL A 54 -1.915 -6.451 -2.608 1.00 23.53 H new ATOM 0 HG23 VAL A 54 -0.143 -6.407 -2.771 1.00 23.53 H new ATOM 825 N VAL A 55 -2.161 -1.919 -4.040 1.00 72.33 N ATOM 826 CA VAL A 55 -2.149 -0.470 -4.189 1.00 45.33 C ATOM 827 C VAL A 55 -2.833 0.210 -3.009 1.00 51.32 C ATOM 828 O VAL A 55 -4.061 0.298 -2.956 1.00 1.12 O ATOM 829 CB VAL A 55 -2.842 -0.032 -5.494 1.00 23.34 C ATOM 830 CG1 VAL A 55 -2.662 1.461 -5.720 1.00 71.04 C ATOM 831 CG2 VAL A 55 -2.307 -0.828 -6.674 1.00 63.00 C ATOM 0 H VAL A 55 -3.089 -2.321 -3.911 1.00 72.33 H new ATOM 0 HA VAL A 55 -1.103 -0.165 -4.223 1.00 45.33 H new ATOM 0 HB VAL A 55 -3.909 -0.234 -5.404 1.00 23.34 H new ATOM 0 HG11 VAL A 55 -3.158 1.751 -6.646 1.00 71.04 H new ATOM 0 HG12 VAL A 55 -3.099 2.011 -4.886 1.00 71.04 H new ATOM 0 HG13 VAL A 55 -1.599 1.693 -5.790 1.00 71.04 H new ATOM 0 HG21 VAL A 55 -2.807 -0.506 -7.587 1.00 63.00 H new ATOM 0 HG22 VAL A 55 -1.234 -0.660 -6.770 1.00 63.00 H new ATOM 0 HG23 VAL A 55 -2.495 -1.889 -6.512 1.00 63.00 H new ATOM 841 N LEU A 56 -2.032 0.692 -2.065 1.00 73.12 N ATOM 842 CA LEU A 56 -2.561 1.366 -0.884 1.00 15.01 C ATOM 843 C LEU A 56 -2.412 2.879 -1.008 1.00 12.31 C ATOM 844 O LEU A 56 -1.337 3.383 -1.337 1.00 61.55 O ATOM 845 CB LEU A 56 -1.844 0.872 0.374 1.00 42.33 C ATOM 846 CG LEU A 56 -1.872 -0.638 0.612 1.00 43.30 C ATOM 847 CD1 LEU A 56 -1.552 -0.955 2.065 1.00 43.40 C ATOM 848 CD2 LEU A 56 -3.226 -1.215 0.225 1.00 45.32 C ATOM 0 H LEU A 56 -1.014 0.629 -2.094 1.00 73.12 H new ATOM 0 HA LEU A 56 -3.622 1.129 -0.806 1.00 15.01 H new ATOM 0 HB2 LEU A 56 -0.803 1.193 0.325 1.00 42.33 H new ATOM 0 HB3 LEU A 56 -2.289 1.364 1.239 1.00 42.33 H new ATOM 0 HG LEU A 56 -1.110 -1.099 -0.016 1.00 43.30 H new ATOM 0 HD11 LEU A 56 -1.577 -2.034 2.216 1.00 43.40 H new ATOM 0 HD12 LEU A 56 -0.559 -0.577 2.310 1.00 43.40 H new ATOM 0 HD13 LEU A 56 -2.290 -0.481 2.712 1.00 43.40 H new ATOM 0 HD21 LEU A 56 -3.227 -2.291 0.401 1.00 45.32 H new ATOM 0 HD22 LEU A 56 -4.006 -0.748 0.827 1.00 45.32 H new ATOM 0 HD23 LEU A 56 -3.416 -1.020 -0.830 1.00 45.32 H new ATOM 860 N LEU A 57 -3.496 3.599 -0.740 1.00 5.40 N ATOM 861 CA LEU A 57 -3.484 5.056 -0.819 1.00 35.31 C ATOM 862 C LEU A 57 -3.211 5.674 0.549 1.00 74.42 C ATOM 863 O LEU A 57 -3.160 4.971 1.558 1.00 1.14 O ATOM 864 CB LEU A 57 -4.819 5.567 -1.364 1.00 72.41 C ATOM 865 CG LEU A 57 -4.735 6.546 -2.535 1.00 21.21 C ATOM 866 CD1 LEU A 57 -5.783 6.214 -3.585 1.00 51.11 C ATOM 867 CD2 LEU A 57 -4.902 7.977 -2.047 1.00 1.41 C ATOM 0 H LEU A 57 -4.393 3.198 -0.466 1.00 5.40 H new ATOM 0 HA LEU A 57 -2.683 5.352 -1.497 1.00 35.31 H new ATOM 0 HB2 LEU A 57 -5.414 4.709 -1.676 1.00 72.41 H new ATOM 0 HB3 LEU A 57 -5.360 6.050 -0.550 1.00 72.41 H new ATOM 0 HG LEU A 57 -3.750 6.452 -2.992 1.00 21.21 H new ATOM 0 HD11 LEU A 57 -5.708 6.922 -4.411 1.00 51.11 H new ATOM 0 HD12 LEU A 57 -5.617 5.203 -3.957 1.00 51.11 H new ATOM 0 HD13 LEU A 57 -6.776 6.279 -3.141 1.00 51.11 H new ATOM 0 HD21 LEU A 57 -4.839 8.660 -2.894 1.00 1.41 H new ATOM 0 HD22 LEU A 57 -5.873 8.086 -1.564 1.00 1.41 H new ATOM 0 HD23 LEU A 57 -4.113 8.212 -1.332 1.00 1.41 H new ATOM 879 N ALA A 58 -3.040 6.990 0.575 1.00 52.51 N ATOM 880 CA ALA A 58 -2.777 7.703 1.818 1.00 22.23 C ATOM 881 C ALA A 58 -4.036 8.394 2.333 1.00 42.55 C ATOM 882 O ALA A 58 -4.991 8.627 1.592 1.00 61.34 O ATOM 883 CB ALA A 58 -1.660 8.717 1.621 1.00 43.24 C ATOM 0 H ALA A 58 -3.079 7.586 -0.252 1.00 52.51 H new ATOM 0 HA ALA A 58 -2.463 6.974 2.565 1.00 22.23 H new ATOM 0 HB1 ALA A 58 -1.475 9.242 2.558 1.00 43.24 H new ATOM 0 HB2 ALA A 58 -0.752 8.202 1.308 1.00 43.24 H new ATOM 0 HB3 ALA A 58 -1.952 9.435 0.855 1.00 43.24 H new ATOM 889 N PRO A 59 -4.039 8.730 3.631 1.00 10.11 N ATOM 890 CA PRO A 59 -5.175 9.399 4.272 1.00 2.41 C ATOM 891 C PRO A 59 -5.342 10.838 3.798 1.00 14.43 C ATOM 892 O PRO A 59 -6.362 11.474 4.066 1.00 73.23 O ATOM 893 CB PRO A 59 -4.812 9.365 5.759 1.00 33.45 C ATOM 894 CG PRO A 59 -3.325 9.282 5.785 1.00 31.15 C ATOM 895 CD PRO A 59 -2.934 8.484 4.573 1.00 62.24 C ATOM 0 HA PRO A 59 -6.121 8.911 4.038 1.00 2.41 H new ATOM 0 HB2 PRO A 59 -5.168 10.258 6.274 1.00 33.45 H new ATOM 0 HB3 PRO A 59 -5.265 8.508 6.257 1.00 33.45 H new ATOM 0 HG2 PRO A 59 -2.878 10.276 5.759 1.00 31.15 H new ATOM 0 HG3 PRO A 59 -2.977 8.800 6.699 1.00 31.15 H new ATOM 0 HD2 PRO A 59 -1.978 8.814 4.166 1.00 62.24 H new ATOM 0 HD3 PRO A 59 -2.833 7.424 4.805 1.00 62.24 H new ATOM 903 N GLN A 60 -4.336 11.346 3.094 1.00 40.42 N ATOM 904 CA GLN A 60 -4.373 12.712 2.584 1.00 72.22 C ATOM 905 C GLN A 60 -4.594 12.723 1.075 1.00 72.24 C ATOM 906 O GLN A 60 -3.651 12.577 0.298 1.00 24.53 O ATOM 907 CB GLN A 60 -3.074 13.443 2.926 1.00 34.43 C ATOM 908 CG GLN A 60 -3.293 14.819 3.534 1.00 54.23 C ATOM 909 CD GLN A 60 -3.788 14.753 4.966 1.00 62.13 C ATOM 910 OE1 GLN A 60 -3.362 13.899 5.743 1.00 25.42 O ATOM 911 NE2 GLN A 60 -4.693 15.657 5.321 1.00 15.41 N ATOM 0 H GLN A 60 -3.485 10.833 2.864 1.00 40.42 H new ATOM 0 HA GLN A 60 -5.207 13.228 3.060 1.00 72.22 H new ATOM 0 HB2 GLN A 60 -2.497 12.835 3.622 1.00 34.43 H new ATOM 0 HB3 GLN A 60 -2.475 13.546 2.021 1.00 34.43 H new ATOM 0 HG2 GLN A 60 -2.358 15.379 3.502 1.00 54.23 H new ATOM 0 HG3 GLN A 60 -4.014 15.368 2.929 1.00 54.23 H new ATOM 0 HE21 GLN A 60 -5.018 16.347 4.643 1.00 15.41 H new ATOM 0 HE22 GLN A 60 -5.064 15.662 6.271 1.00 15.41 H new ATOM 920 N SER A 61 -5.847 12.896 0.666 1.00 21.33 N ATOM 921 CA SER A 61 -6.193 12.922 -0.750 1.00 51.14 C ATOM 922 C SER A 61 -7.539 13.606 -0.969 1.00 11.13 C ATOM 923 O SER A 61 -8.522 13.298 -0.295 1.00 23.32 O ATOM 924 CB SER A 61 -6.234 11.500 -1.313 1.00 62.13 C ATOM 925 OG SER A 61 -6.264 10.540 -0.271 1.00 65.11 O ATOM 0 H SER A 61 -6.640 13.020 1.296 1.00 21.33 H new ATOM 0 HA SER A 61 -5.426 13.492 -1.275 1.00 51.14 H new ATOM 0 HB2 SER A 61 -7.113 11.381 -1.946 1.00 62.13 H new ATOM 0 HB3 SER A 61 -5.361 11.330 -1.944 1.00 62.13 H new ATOM 0 HG SER A 61 -5.357 10.207 -0.106 1.00 65.11 H new ATOM 931 N ARG A 62 -7.575 14.538 -1.916 1.00 72.31 N ATOM 932 CA ARG A 62 -8.799 15.268 -2.224 1.00 33.42 C ATOM 933 C ARG A 62 -9.590 14.564 -3.323 1.00 30.14 C ATOM 934 O ARG A 62 -10.691 14.065 -3.087 1.00 51.44 O ATOM 935 CB ARG A 62 -8.470 16.698 -2.654 1.00 40.52 C ATOM 936 CG ARG A 62 -8.856 17.748 -1.625 1.00 11.23 C ATOM 937 CD ARG A 62 -7.697 18.064 -0.691 1.00 13.33 C ATOM 938 NE ARG A 62 -6.642 18.816 -1.365 1.00 0.54 N ATOM 939 CZ ARG A 62 -5.429 18.997 -0.854 1.00 62.05 C ATOM 940 NH1 ARG A 62 -5.119 18.482 0.327 1.00 24.24 N ATOM 941 NH2 ARG A 62 -4.522 19.694 -1.527 1.00 63.43 N ATOM 0 H ARG A 62 -6.771 14.805 -2.483 1.00 72.31 H new ATOM 0 HA ARG A 62 -9.411 15.299 -1.323 1.00 33.42 H new ATOM 0 HB2 ARG A 62 -7.401 16.772 -2.852 1.00 40.52 H new ATOM 0 HB3 ARG A 62 -8.984 16.914 -3.591 1.00 40.52 H new ATOM 0 HG2 ARG A 62 -9.174 18.658 -2.134 1.00 11.23 H new ATOM 0 HG3 ARG A 62 -9.707 17.394 -1.044 1.00 11.23 H new ATOM 0 HD2 ARG A 62 -8.063 18.637 0.161 1.00 13.33 H new ATOM 0 HD3 ARG A 62 -7.285 17.135 -0.297 1.00 13.33 H new ATOM 0 HE ARG A 62 -6.847 19.224 -2.277 1.00 0.54 H new ATOM 0 HH11 ARG A 62 -5.813 17.945 0.847 1.00 24.24 H new ATOM 0 HH12 ARG A 62 -4.187 18.623 0.716 1.00 24.24 H new ATOM 0 HH21 ARG A 62 -4.756 20.091 -2.437 1.00 63.43 H new ATOM 0 HH22 ARG A 62 -3.591 19.833 -1.134 1.00 63.43 H new ATOM 955 N PHE A 63 -9.021 14.527 -4.523 1.00 52.23 N ATOM 956 CA PHE A 63 -9.674 13.886 -5.658 1.00 71.24 C ATOM 957 C PHE A 63 -8.877 12.673 -6.129 1.00 73.21 C ATOM 958 O PHE A 63 -9.425 11.757 -6.742 1.00 54.41 O ATOM 959 CB PHE A 63 -9.837 14.881 -6.809 1.00 51.43 C ATOM 960 CG PHE A 63 -10.542 16.147 -6.412 1.00 72.43 C ATOM 961 CD1 PHE A 63 -11.833 16.107 -5.909 1.00 70.14 C ATOM 962 CD2 PHE A 63 -9.915 17.375 -6.542 1.00 33.23 C ATOM 963 CE1 PHE A 63 -12.485 17.269 -5.543 1.00 54.54 C ATOM 964 CE2 PHE A 63 -10.561 18.541 -6.176 1.00 35.40 C ATOM 965 CZ PHE A 63 -11.848 18.488 -5.677 1.00 75.55 C ATOM 0 H PHE A 63 -8.110 14.933 -4.735 1.00 52.23 H new ATOM 0 HA PHE A 63 -10.659 13.549 -5.336 1.00 71.24 H new ATOM 0 HB2 PHE A 63 -8.853 15.131 -7.204 1.00 51.43 H new ATOM 0 HB3 PHE A 63 -10.392 14.403 -7.616 1.00 51.43 H new ATOM 0 HD1 PHE A 63 -12.335 15.157 -5.802 1.00 70.14 H new ATOM 0 HD2 PHE A 63 -8.910 17.422 -6.934 1.00 33.23 H new ATOM 0 HE1 PHE A 63 -13.491 17.225 -5.153 1.00 54.54 H new ATOM 0 HE2 PHE A 63 -10.060 19.492 -6.280 1.00 35.40 H new ATOM 0 HZ PHE A 63 -12.356 19.398 -5.392 1.00 75.55 H new ATOM 975 N ASN A 64 -7.581 12.674 -5.839 1.00 41.11 N ATOM 976 CA ASN A 64 -6.707 11.575 -6.234 1.00 33.23 C ATOM 977 C ASN A 64 -7.284 10.235 -5.785 1.00 44.32 C ATOM 978 O ASN A 64 -7.392 9.298 -6.575 1.00 71.04 O ATOM 979 CB ASN A 64 -5.311 11.768 -5.639 1.00 70.53 C ATOM 980 CG ASN A 64 -4.728 13.130 -5.960 1.00 74.00 C ATOM 981 OD1 ASN A 64 -4.261 13.843 -5.071 1.00 73.10 O ATOM 982 ND2 ASN A 64 -4.755 13.500 -7.235 1.00 62.24 N ATOM 0 H ASN A 64 -7.112 13.424 -5.331 1.00 41.11 H new ATOM 0 HA ASN A 64 -6.633 11.573 -7.322 1.00 33.23 H new ATOM 0 HB2 ASN A 64 -5.360 11.643 -4.557 1.00 70.53 H new ATOM 0 HB3 ASN A 64 -4.646 10.993 -6.020 1.00 70.53 H new ATOM 0 HD21 ASN A 64 -4.379 14.407 -7.511 1.00 62.24 H new ATOM 0 HD22 ASN A 64 -5.152 12.877 -7.939 1.00 62.24 H new ATOM 989 N LYS A 65 -7.651 10.152 -4.511 1.00 14.35 N ATOM 990 CA LYS A 65 -8.218 8.929 -3.956 1.00 32.13 C ATOM 991 C LYS A 65 -9.537 8.582 -4.639 1.00 12.02 C ATOM 992 O LYS A 65 -9.868 7.409 -4.812 1.00 62.13 O ATOM 993 CB LYS A 65 -8.437 9.083 -2.449 1.00 64.20 C ATOM 994 CG LYS A 65 -9.440 10.164 -2.086 1.00 65.12 C ATOM 995 CD LYS A 65 -10.754 9.568 -1.612 1.00 33.54 C ATOM 996 CE LYS A 65 -11.422 10.450 -0.567 1.00 1.30 C ATOM 997 NZ LYS A 65 -12.793 9.976 -0.235 1.00 55.30 N ATOM 0 H LYS A 65 -7.566 10.918 -3.843 1.00 14.35 H new ATOM 0 HA LYS A 65 -7.513 8.117 -4.134 1.00 32.13 H new ATOM 0 HB2 LYS A 65 -8.778 8.131 -2.041 1.00 64.20 H new ATOM 0 HB3 LYS A 65 -7.483 9.310 -1.973 1.00 64.20 H new ATOM 0 HG2 LYS A 65 -9.024 10.799 -1.304 1.00 65.12 H new ATOM 0 HG3 LYS A 65 -9.620 10.801 -2.952 1.00 65.12 H new ATOM 0 HD2 LYS A 65 -11.424 9.439 -2.462 1.00 33.54 H new ATOM 0 HD3 LYS A 65 -10.575 8.578 -1.193 1.00 33.54 H new ATOM 0 HE2 LYS A 65 -10.814 10.465 0.338 1.00 1.30 H new ATOM 0 HE3 LYS A 65 -11.471 11.475 -0.935 1.00 1.30 H new ATOM 0 HZ1 LYS A 65 -13.214 10.603 0.480 1.00 55.30 H new ATOM 0 HZ2 LYS A 65 -13.381 9.986 -1.093 1.00 55.30 H new ATOM 0 HZ3 LYS A 65 -12.744 9.007 0.140 1.00 55.30 H new ATOM 1011 N LYS A 66 -10.286 9.609 -5.025 1.00 72.24 N ATOM 1012 CA LYS A 66 -11.567 9.413 -5.693 1.00 34.04 C ATOM 1013 C LYS A 66 -11.383 8.697 -7.028 1.00 3.44 C ATOM 1014 O LYS A 66 -11.946 7.626 -7.251 1.00 71.23 O ATOM 1015 CB LYS A 66 -12.261 10.759 -5.915 1.00 55.11 C ATOM 1016 CG LYS A 66 -13.776 10.662 -5.964 1.00 42.40 C ATOM 1017 CD LYS A 66 -14.316 11.067 -7.325 1.00 74.12 C ATOM 1018 CE LYS A 66 -15.791 11.435 -7.253 1.00 20.43 C ATOM 1019 NZ LYS A 66 -16.238 12.176 -8.465 1.00 4.35 N ATOM 0 H LYS A 66 -10.028 10.586 -4.887 1.00 72.24 H new ATOM 0 HA LYS A 66 -12.191 8.791 -5.051 1.00 34.04 H new ATOM 0 HB2 LYS A 66 -11.975 11.442 -5.115 1.00 55.11 H new ATOM 0 HB3 LYS A 66 -11.903 11.193 -6.848 1.00 55.11 H new ATOM 0 HG2 LYS A 66 -14.084 9.641 -5.738 1.00 42.40 H new ATOM 0 HG3 LYS A 66 -14.208 11.302 -5.195 1.00 42.40 H new ATOM 0 HD2 LYS A 66 -13.747 11.915 -7.706 1.00 74.12 H new ATOM 0 HD3 LYS A 66 -14.178 10.248 -8.031 1.00 74.12 H new ATOM 0 HE2 LYS A 66 -16.386 10.529 -7.141 1.00 20.43 H new ATOM 0 HE3 LYS A 66 -15.970 12.045 -6.368 1.00 20.43 H new ATOM 0 HZ1 LYS A 66 -17.248 12.408 -8.377 1.00 4.35 H new ATOM 0 HZ2 LYS A 66 -15.688 13.054 -8.558 1.00 4.35 H new ATOM 0 HZ3 LYS A 66 -16.091 11.584 -9.308 1.00 4.35 H new ATOM 1033 N ARG A 67 -10.591 9.296 -7.910 1.00 4.50 N ATOM 1034 CA ARG A 67 -10.331 8.716 -9.222 1.00 51.31 C ATOM 1035 C ARG A 67 -9.691 7.338 -9.089 1.00 74.33 C ATOM 1036 O ARG A 67 -10.173 6.360 -9.663 1.00 30.21 O ATOM 1037 CB ARG A 67 -9.423 9.636 -10.040 1.00 2.31 C ATOM 1038 CG ARG A 67 -10.112 10.903 -10.519 1.00 0.53 C ATOM 1039 CD ARG A 67 -9.165 12.092 -10.505 1.00 25.04 C ATOM 1040 NE ARG A 67 -9.347 12.953 -11.670 1.00 71.41 N ATOM 1041 CZ ARG A 67 -8.449 13.844 -12.074 1.00 11.32 C ATOM 1042 NH1 ARG A 67 -7.311 13.991 -11.410 1.00 10.24 N ATOM 1043 NH2 ARG A 67 -8.689 14.591 -13.144 1.00 33.04 N ATOM 0 H ARG A 67 -10.118 10.183 -7.740 1.00 4.50 H new ATOM 0 HA ARG A 67 -11.284 8.607 -9.739 1.00 51.31 H new ATOM 0 HB2 ARG A 67 -8.558 9.909 -9.436 1.00 2.31 H new ATOM 0 HB3 ARG A 67 -9.048 9.088 -10.904 1.00 2.31 H new ATOM 0 HG2 ARG A 67 -10.493 10.752 -11.529 1.00 0.53 H new ATOM 0 HG3 ARG A 67 -10.972 11.114 -9.883 1.00 0.53 H new ATOM 0 HD2 ARG A 67 -9.326 12.673 -9.597 1.00 25.04 H new ATOM 0 HD3 ARG A 67 -8.136 11.735 -10.476 1.00 25.04 H new ATOM 0 HE ARG A 67 -10.212 12.865 -12.203 1.00 71.41 H new ATOM 0 HH11 ARG A 67 -7.123 13.419 -10.587 1.00 10.24 H new ATOM 0 HH12 ARG A 67 -6.623 14.676 -11.723 1.00 10.24 H new ATOM 0 HH21 ARG A 67 -9.564 14.481 -13.657 1.00 33.04 H new ATOM 0 HH22 ARG A 67 -7.999 15.275 -13.454 1.00 33.04 H new ATOM 1057 N LEU A 68 -8.603 7.267 -8.331 1.00 51.35 N ATOM 1058 CA LEU A 68 -7.895 6.008 -8.124 1.00 12.50 C ATOM 1059 C LEU A 68 -8.859 4.905 -7.701 1.00 74.52 C ATOM 1060 O LEU A 68 -9.009 3.900 -8.395 1.00 53.12 O ATOM 1061 CB LEU A 68 -6.805 6.182 -7.066 1.00 33.23 C ATOM 1062 CG LEU A 68 -5.390 6.424 -7.592 1.00 73.03 C ATOM 1063 CD1 LEU A 68 -5.381 7.573 -8.588 1.00 62.13 C ATOM 1064 CD2 LEU A 68 -4.433 6.705 -6.443 1.00 13.33 C ATOM 0 H LEU A 68 -8.191 8.066 -7.849 1.00 51.35 H new ATOM 0 HA LEU A 68 -7.433 5.719 -9.068 1.00 12.50 H new ATOM 0 HB2 LEU A 68 -7.080 7.019 -6.424 1.00 33.23 H new ATOM 0 HB3 LEU A 68 -6.790 5.291 -6.439 1.00 33.23 H new ATOM 0 HG LEU A 68 -5.055 5.522 -8.104 1.00 73.03 H new ATOM 0 HD11 LEU A 68 -4.366 7.731 -8.952 1.00 62.13 H new ATOM 0 HD12 LEU A 68 -6.034 7.332 -9.427 1.00 62.13 H new ATOM 0 HD13 LEU A 68 -5.737 8.480 -8.100 1.00 62.13 H new ATOM 0 HD21 LEU A 68 -3.431 6.875 -6.837 1.00 13.33 H new ATOM 0 HD22 LEU A 68 -4.765 7.591 -5.902 1.00 13.33 H new ATOM 0 HD23 LEU A 68 -4.417 5.851 -5.766 1.00 13.33 H new ATOM 1076 N GLU A 69 -9.512 5.101 -6.560 1.00 12.24 N ATOM 1077 CA GLU A 69 -10.463 4.123 -6.046 1.00 74.43 C ATOM 1078 C GLU A 69 -11.564 3.847 -7.065 1.00 50.23 C ATOM 1079 O GLU A 69 -11.917 2.695 -7.316 1.00 73.34 O ATOM 1080 CB GLU A 69 -11.078 4.617 -4.735 1.00 73.45 C ATOM 1081 CG GLU A 69 -10.139 4.514 -3.545 1.00 15.41 C ATOM 1082 CD GLU A 69 -10.749 5.068 -2.272 1.00 1.32 C ATOM 1083 OE1 GLU A 69 -11.401 4.295 -1.541 1.00 33.14 O ATOM 1084 OE2 GLU A 69 -10.573 6.276 -2.007 1.00 42.54 O ATOM 0 H GLU A 69 -9.400 5.928 -5.974 1.00 12.24 H new ATOM 0 HA GLU A 69 -9.924 3.194 -5.859 1.00 74.43 H new ATOM 0 HB2 GLU A 69 -11.385 5.656 -4.856 1.00 73.45 H new ATOM 0 HB3 GLU A 69 -11.979 4.041 -4.527 1.00 73.45 H new ATOM 0 HG2 GLU A 69 -9.869 3.470 -3.389 1.00 15.41 H new ATOM 0 HG3 GLU A 69 -9.217 5.052 -3.766 1.00 15.41 H new ATOM 1091 N GLU A 70 -12.103 4.913 -7.650 1.00 23.34 N ATOM 1092 CA GLU A 70 -13.165 4.786 -8.641 1.00 44.11 C ATOM 1093 C GLU A 70 -12.715 3.914 -9.810 1.00 42.34 C ATOM 1094 O GLU A 70 -13.534 3.276 -10.472 1.00 61.34 O ATOM 1095 CB GLU A 70 -13.585 6.166 -9.150 1.00 63.31 C ATOM 1096 CG GLU A 70 -14.568 6.878 -8.237 1.00 0.20 C ATOM 1097 CD GLU A 70 -15.990 6.383 -8.410 1.00 73.20 C ATOM 1098 OE1 GLU A 70 -16.208 5.157 -8.314 1.00 10.11 O ATOM 1099 OE2 GLU A 70 -16.886 7.221 -8.641 1.00 53.44 O ATOM 0 H GLU A 70 -11.821 5.874 -7.454 1.00 23.34 H new ATOM 0 HA GLU A 70 -14.020 4.309 -8.162 1.00 44.11 H new ATOM 0 HB2 GLU A 70 -12.697 6.786 -9.268 1.00 63.31 H new ATOM 0 HB3 GLU A 70 -14.032 6.059 -10.138 1.00 63.31 H new ATOM 0 HG2 GLU A 70 -14.262 6.737 -7.200 1.00 0.20 H new ATOM 0 HG3 GLU A 70 -14.533 7.949 -8.437 1.00 0.20 H new ATOM 1106 N ILE A 71 -11.410 3.894 -10.059 1.00 1.33 N ATOM 1107 CA ILE A 71 -10.852 3.102 -11.147 1.00 1.52 C ATOM 1108 C ILE A 71 -10.484 1.700 -10.674 1.00 73.03 C ATOM 1109 O ILE A 71 -10.550 0.737 -11.439 1.00 71.22 O ATOM 1110 CB ILE A 71 -9.602 3.773 -11.748 1.00 71.53 C ATOM 1111 CG1 ILE A 71 -9.953 5.157 -12.296 1.00 12.54 C ATOM 1112 CG2 ILE A 71 -9.008 2.900 -12.844 1.00 12.31 C ATOM 1113 CD1 ILE A 71 -8.811 6.146 -12.215 1.00 14.43 C ATOM 0 H ILE A 71 -10.719 4.418 -9.521 1.00 1.33 H new ATOM 0 HA ILE A 71 -11.623 3.033 -11.915 1.00 1.52 H new ATOM 0 HB ILE A 71 -8.858 3.892 -10.960 1.00 71.53 H new ATOM 0 HG12 ILE A 71 -10.265 5.059 -13.336 1.00 12.54 H new ATOM 0 HG13 ILE A 71 -10.805 5.552 -11.743 1.00 12.54 H new ATOM 0 HG21 ILE A 71 -8.126 3.387 -13.259 1.00 12.31 H new ATOM 0 HG22 ILE A 71 -8.726 1.933 -12.427 1.00 12.31 H new ATOM 0 HG23 ILE A 71 -9.746 2.753 -13.632 1.00 12.31 H new ATOM 0 HD11 ILE A 71 -9.131 7.106 -12.621 1.00 14.43 H new ATOM 0 HD12 ILE A 71 -8.513 6.274 -11.174 1.00 14.43 H new ATOM 0 HD13 ILE A 71 -7.965 5.772 -12.791 1.00 14.43 H new ATOM 1125 N THR A 72 -10.099 1.591 -9.407 1.00 22.25 N ATOM 1126 CA THR A 72 -9.722 0.307 -8.830 1.00 62.22 C ATOM 1127 C THR A 72 -10.921 -0.631 -8.743 1.00 41.31 C ATOM 1128 O THR A 72 -10.801 -1.833 -8.977 1.00 54.24 O ATOM 1129 CB THR A 72 -9.114 0.477 -7.425 1.00 14.23 C ATOM 1130 OG1 THR A 72 -10.094 1.017 -6.531 1.00 52.20 O ATOM 1131 CG2 THR A 72 -7.900 1.393 -7.468 1.00 13.14 C ATOM 0 H THR A 72 -10.040 2.377 -8.760 1.00 22.25 H new ATOM 0 HA THR A 72 -8.972 -0.127 -9.491 1.00 62.22 H new ATOM 0 HB THR A 72 -8.797 -0.503 -7.068 1.00 14.23 H new ATOM 0 HG1 THR A 72 -10.776 1.497 -7.045 1.00 52.20 H new ATOM 0 HG21 THR A 72 -7.488 1.498 -6.464 1.00 13.14 H new ATOM 0 HG22 THR A 72 -7.145 0.966 -8.128 1.00 13.14 H new ATOM 0 HG23 THR A 72 -8.196 2.373 -7.843 1.00 13.14 H new ATOM 1139 N LYS A 73 -12.078 -0.072 -8.405 1.00 51.23 N ATOM 1140 CA LYS A 73 -13.302 -0.856 -8.288 1.00 63.32 C ATOM 1141 C LYS A 73 -13.520 -1.713 -9.532 1.00 13.53 C ATOM 1142 O LYS A 73 -13.561 -2.941 -9.470 1.00 72.42 O ATOM 1143 CB LYS A 73 -14.504 0.065 -8.072 1.00 62.23 C ATOM 1144 CG LYS A 73 -15.102 -0.032 -6.679 1.00 73.12 C ATOM 1145 CD LYS A 73 -16.208 0.990 -6.476 1.00 72.01 C ATOM 1146 CE LYS A 73 -17.475 0.341 -5.940 1.00 34.40 C ATOM 1147 NZ LYS A 73 -17.597 0.498 -4.464 1.00 72.21 N ATOM 0 H LYS A 73 -12.194 0.922 -8.207 1.00 51.23 H new ATOM 0 HA LYS A 73 -13.200 -1.516 -7.427 1.00 63.32 H new ATOM 0 HB2 LYS A 73 -14.200 1.095 -8.257 1.00 62.23 H new ATOM 0 HB3 LYS A 73 -15.273 -0.177 -8.806 1.00 62.23 H new ATOM 0 HG2 LYS A 73 -15.498 -1.035 -6.521 1.00 73.12 H new ATOM 0 HG3 LYS A 73 -14.321 0.123 -5.935 1.00 73.12 H new ATOM 0 HD2 LYS A 73 -15.871 1.760 -5.782 1.00 72.01 H new ATOM 0 HD3 LYS A 73 -16.424 1.486 -7.422 1.00 72.01 H new ATOM 0 HE2 LYS A 73 -18.344 0.785 -6.425 1.00 34.40 H new ATOM 0 HE3 LYS A 73 -17.475 -0.719 -6.194 1.00 34.40 H new ATOM 0 HZ1 LYS A 73 -18.473 0.042 -4.138 1.00 72.21 H new ATOM 0 HZ2 LYS A 73 -16.781 0.052 -3.999 1.00 72.21 H new ATOM 0 HZ3 LYS A 73 -17.622 1.509 -4.223 1.00 72.21 H new ATOM 1161 N PRO A 74 -13.662 -1.050 -10.690 1.00 12.23 N ATOM 1162 CA PRO A 74 -13.876 -1.730 -11.970 1.00 34.32 C ATOM 1163 C PRO A 74 -12.637 -2.485 -12.440 1.00 51.15 C ATOM 1164 O PRO A 74 -12.740 -3.529 -13.085 1.00 41.22 O ATOM 1165 CB PRO A 74 -14.201 -0.584 -12.931 1.00 60.14 C ATOM 1166 CG PRO A 74 -13.552 0.612 -12.326 1.00 52.23 C ATOM 1167 CD PRO A 74 -13.624 0.414 -10.838 1.00 4.34 C ATOM 0 HA PRO A 74 -14.660 -2.484 -11.904 1.00 34.32 H new ATOM 0 HB2 PRO A 74 -13.813 -0.783 -13.930 1.00 60.14 H new ATOM 0 HB3 PRO A 74 -15.277 -0.443 -13.030 1.00 60.14 H new ATOM 0 HG2 PRO A 74 -12.518 0.704 -12.658 1.00 52.23 H new ATOM 0 HG3 PRO A 74 -14.065 1.527 -12.623 1.00 52.23 H new ATOM 0 HD2 PRO A 74 -12.760 0.847 -10.333 1.00 4.34 H new ATOM 0 HD3 PRO A 74 -14.511 0.884 -10.413 1.00 4.34 H new ATOM 1175 N LYS A 75 -11.465 -1.949 -12.114 1.00 32.31 N ATOM 1176 CA LYS A 75 -10.205 -2.572 -12.501 1.00 21.23 C ATOM 1177 C LYS A 75 -10.039 -3.930 -11.825 1.00 24.10 C ATOM 1178 O LYS A 75 -9.386 -4.824 -12.361 1.00 72.22 O ATOM 1179 CB LYS A 75 -9.030 -1.662 -12.136 1.00 64.14 C ATOM 1180 CG LYS A 75 -8.708 -0.628 -13.202 1.00 20.51 C ATOM 1181 CD LYS A 75 -7.732 -1.173 -14.232 1.00 1.25 C ATOM 1182 CE LYS A 75 -6.693 -0.133 -14.620 1.00 11.04 C ATOM 1183 NZ LYS A 75 -5.455 -0.253 -13.801 1.00 45.41 N ATOM 0 H LYS A 75 -11.362 -1.084 -11.583 1.00 32.31 H new ATOM 0 HA LYS A 75 -10.219 -2.723 -13.580 1.00 21.23 H new ATOM 0 HB2 LYS A 75 -9.255 -1.150 -11.201 1.00 64.14 H new ATOM 0 HB3 LYS A 75 -8.147 -2.276 -11.959 1.00 64.14 H new ATOM 0 HG2 LYS A 75 -9.627 -0.318 -13.699 1.00 20.51 H new ATOM 0 HG3 LYS A 75 -8.285 0.260 -12.733 1.00 20.51 H new ATOM 0 HD2 LYS A 75 -7.233 -2.055 -13.831 1.00 1.25 H new ATOM 0 HD3 LYS A 75 -8.278 -1.492 -15.120 1.00 1.25 H new ATOM 0 HE2 LYS A 75 -6.443 -0.246 -15.675 1.00 11.04 H new ATOM 0 HE3 LYS A 75 -7.114 0.865 -14.497 1.00 11.04 H new ATOM 0 HZ1 LYS A 75 -4.772 0.473 -14.096 1.00 45.41 H new ATOM 0 HZ2 LYS A 75 -5.689 -0.120 -12.796 1.00 45.41 H new ATOM 0 HZ3 LYS A 75 -5.038 -1.196 -13.938 1.00 45.41 H new ATOM 1197 N GLY A 76 -10.634 -4.076 -10.646 1.00 15.42 N ATOM 1198 CA GLY A 76 -10.542 -5.328 -9.918 1.00 63.20 C ATOM 1199 C GLY A 76 -9.150 -5.578 -9.371 1.00 12.05 C ATOM 1200 O GLY A 76 -8.472 -6.518 -9.786 1.00 63.44 O ATOM 0 H GLY A 76 -11.179 -3.349 -10.181 1.00 15.42 H new ATOM 0 HA2 GLY A 76 -11.257 -5.320 -9.095 1.00 63.20 H new ATOM 0 HA3 GLY A 76 -10.824 -6.150 -10.577 1.00 63.20 H new ATOM 1204 N ILE A 77 -8.723 -4.734 -8.437 1.00 1.01 N ATOM 1205 CA ILE A 77 -7.403 -4.869 -7.832 1.00 65.35 C ATOM 1206 C ILE A 77 -7.458 -4.615 -6.330 1.00 45.02 C ATOM 1207 O ILE A 77 -8.335 -3.913 -5.825 1.00 44.35 O ATOM 1208 CB ILE A 77 -6.391 -3.898 -8.470 1.00 44.01 C ATOM 1209 CG1 ILE A 77 -6.938 -2.470 -8.449 1.00 74.22 C ATOM 1210 CG2 ILE A 77 -6.069 -4.328 -9.893 1.00 75.35 C ATOM 1211 CD1 ILE A 77 -6.071 -1.501 -7.678 1.00 11.52 C ATOM 0 H ILE A 77 -9.271 -3.950 -8.083 1.00 1.01 H new ATOM 0 HA ILE A 77 -7.076 -5.893 -8.012 1.00 65.35 H new ATOM 0 HB ILE A 77 -5.470 -3.922 -7.887 1.00 44.01 H new ATOM 0 HG12 ILE A 77 -7.042 -2.115 -9.474 1.00 74.22 H new ATOM 0 HG13 ILE A 77 -7.936 -2.479 -8.012 1.00 74.22 H new ATOM 0 HG21 ILE A 77 -5.353 -3.632 -10.330 1.00 75.35 H new ATOM 0 HG22 ILE A 77 -5.641 -5.330 -9.882 1.00 75.35 H new ATOM 0 HG23 ILE A 77 -6.982 -4.330 -10.488 1.00 75.35 H new ATOM 0 HD11 ILE A 77 -6.521 -0.509 -7.706 1.00 11.52 H new ATOM 0 HD12 ILE A 77 -5.987 -1.832 -6.643 1.00 11.52 H new ATOM 0 HD13 ILE A 77 -5.079 -1.463 -8.128 1.00 11.52 H new ATOM 1223 N PRO A 78 -6.498 -5.197 -5.596 1.00 42.11 N ATOM 1224 CA PRO A 78 -6.413 -5.046 -4.141 1.00 70.31 C ATOM 1225 C PRO A 78 -6.010 -3.634 -3.727 1.00 72.40 C ATOM 1226 O PRO A 78 -4.825 -3.304 -3.687 1.00 64.43 O ATOM 1227 CB PRO A 78 -5.328 -6.050 -3.743 1.00 21.04 C ATOM 1228 CG PRO A 78 -4.487 -6.203 -4.963 1.00 74.01 C ATOM 1229 CD PRO A 78 -5.420 -6.047 -6.131 1.00 40.14 C ATOM 0 HA PRO A 78 -7.374 -5.221 -3.656 1.00 70.31 H new ATOM 0 HB2 PRO A 78 -4.741 -5.685 -2.901 1.00 21.04 H new ATOM 0 HB3 PRO A 78 -5.762 -7.003 -3.440 1.00 21.04 H new ATOM 0 HG2 PRO A 78 -3.698 -5.451 -4.990 1.00 74.01 H new ATOM 0 HG3 PRO A 78 -3.999 -7.177 -4.981 1.00 74.01 H new ATOM 0 HD2 PRO A 78 -4.924 -5.579 -6.982 1.00 40.14 H new ATOM 0 HD3 PRO A 78 -5.800 -7.010 -6.473 1.00 40.14 H new ATOM 1237 N ILE A 79 -7.002 -2.807 -3.418 1.00 73.32 N ATOM 1238 CA ILE A 79 -6.751 -1.433 -3.006 1.00 2.43 C ATOM 1239 C ILE A 79 -7.275 -1.176 -1.597 1.00 60.22 C ATOM 1240 O ILE A 79 -8.395 -1.561 -1.262 1.00 61.10 O ATOM 1241 CB ILE A 79 -7.400 -0.425 -3.975 1.00 34.44 C ATOM 1242 CG1 ILE A 79 -6.918 0.994 -3.668 1.00 62.21 C ATOM 1243 CG2 ILE A 79 -8.917 -0.507 -3.884 1.00 5.22 C ATOM 1244 CD1 ILE A 79 -5.966 1.545 -4.705 1.00 41.31 C ATOM 0 H ILE A 79 -7.988 -3.065 -3.445 1.00 73.32 H new ATOM 0 HA ILE A 79 -5.670 -1.293 -3.020 1.00 2.43 H new ATOM 0 HB ILE A 79 -7.102 -0.677 -4.993 1.00 34.44 H new ATOM 0 HG12 ILE A 79 -7.782 1.654 -3.592 1.00 62.21 H new ATOM 0 HG13 ILE A 79 -6.426 1.000 -2.695 1.00 62.21 H new ATOM 0 HG21 ILE A 79 -9.362 0.210 -4.574 1.00 5.22 H new ATOM 0 HG22 ILE A 79 -9.243 -1.513 -4.146 1.00 5.22 H new ATOM 0 HG23 ILE A 79 -9.233 -0.277 -2.867 1.00 5.22 H new ATOM 0 HD11 ILE A 79 -5.665 2.554 -4.423 1.00 41.31 H new ATOM 0 HD12 ILE A 79 -5.084 0.907 -4.765 1.00 41.31 H new ATOM 0 HD13 ILE A 79 -6.461 1.572 -5.676 1.00 41.31 H new ATOM 1256 N GLU A 80 -6.458 -0.523 -0.777 1.00 41.34 N ATOM 1257 CA GLU A 80 -6.840 -0.214 0.596 1.00 73.20 C ATOM 1258 C GLU A 80 -6.372 1.184 0.990 1.00 21.22 C ATOM 1259 O GLU A 80 -5.439 1.727 0.399 1.00 41.24 O ATOM 1260 CB GLU A 80 -6.254 -1.250 1.557 1.00 24.42 C ATOM 1261 CG GLU A 80 -7.306 -2.091 2.261 1.00 50.04 C ATOM 1262 CD GLU A 80 -8.137 -1.285 3.239 1.00 33.14 C ATOM 1263 OE1 GLU A 80 -7.619 -0.283 3.775 1.00 72.20 O ATOM 1264 OE2 GLU A 80 -9.308 -1.657 3.469 1.00 52.40 O ATOM 0 H GLU A 80 -5.528 -0.198 -1.039 1.00 41.34 H new ATOM 0 HA GLU A 80 -7.928 -0.245 0.659 1.00 73.20 H new ATOM 0 HB2 GLU A 80 -5.585 -1.909 1.004 1.00 24.42 H new ATOM 0 HB3 GLU A 80 -5.650 -0.738 2.306 1.00 24.42 H new ATOM 0 HG2 GLU A 80 -7.963 -2.542 1.517 1.00 50.04 H new ATOM 0 HG3 GLU A 80 -6.817 -2.908 2.792 1.00 50.04 H new ATOM 1271 N ILE A 81 -7.028 1.761 1.992 1.00 61.33 N ATOM 1272 CA ILE A 81 -6.680 3.094 2.465 1.00 44.13 C ATOM 1273 C ILE A 81 -6.210 3.058 3.915 1.00 22.42 C ATOM 1274 O ILE A 81 -6.930 2.593 4.800 1.00 52.20 O ATOM 1275 CB ILE A 81 -7.871 4.063 2.347 1.00 21.24 C ATOM 1276 CG1 ILE A 81 -8.282 4.226 0.883 1.00 72.44 C ATOM 1277 CG2 ILE A 81 -7.520 5.411 2.958 1.00 30.21 C ATOM 1278 CD1 ILE A 81 -9.222 3.146 0.395 1.00 13.34 C ATOM 0 H ILE A 81 -7.803 1.325 2.491 1.00 61.33 H new ATOM 0 HA ILE A 81 -5.868 3.451 1.831 1.00 44.13 H new ATOM 0 HB ILE A 81 -8.715 3.646 2.897 1.00 21.24 H new ATOM 0 HG12 ILE A 81 -8.760 5.197 0.754 1.00 72.44 H new ATOM 0 HG13 ILE A 81 -7.387 4.226 0.261 1.00 72.44 H new ATOM 0 HG21 ILE A 81 -8.372 6.085 2.867 1.00 30.21 H new ATOM 0 HG22 ILE A 81 -7.272 5.280 4.011 1.00 30.21 H new ATOM 0 HG23 ILE A 81 -6.664 5.836 2.434 1.00 30.21 H new ATOM 0 HD11 ILE A 81 -9.471 3.326 -0.651 1.00 13.34 H new ATOM 0 HD12 ILE A 81 -8.740 2.173 0.491 1.00 13.34 H new ATOM 0 HD13 ILE A 81 -10.134 3.160 0.992 1.00 13.34 H new ATOM 1290 N ILE A 82 -4.999 3.550 4.152 1.00 50.23 N ATOM 1291 CA ILE A 82 -4.435 3.576 5.496 1.00 73.24 C ATOM 1292 C ILE A 82 -5.125 4.624 6.362 1.00 40.42 C ATOM 1293 O ILE A 82 -5.188 5.798 6.001 1.00 13.52 O ATOM 1294 CB ILE A 82 -2.923 3.867 5.466 1.00 62.41 C ATOM 1295 CG1 ILE A 82 -2.231 2.976 4.433 1.00 21.21 C ATOM 1296 CG2 ILE A 82 -2.315 3.658 6.845 1.00 15.14 C ATOM 1297 CD1 ILE A 82 -0.746 3.239 4.305 1.00 61.34 C ATOM 0 H ILE A 82 -4.389 3.936 3.431 1.00 50.23 H new ATOM 0 HA ILE A 82 -4.599 2.588 5.926 1.00 73.24 H new ATOM 0 HB ILE A 82 -2.774 4.908 5.179 1.00 62.41 H new ATOM 0 HG12 ILE A 82 -2.385 1.932 4.705 1.00 21.21 H new ATOM 0 HG13 ILE A 82 -2.703 3.125 3.462 1.00 21.21 H new ATOM 0 HG21 ILE A 82 -1.246 3.868 6.807 1.00 15.14 H new ATOM 0 HG22 ILE A 82 -2.791 4.330 7.558 1.00 15.14 H new ATOM 0 HG23 ILE A 82 -2.471 2.626 7.159 1.00 15.14 H new ATOM 0 HD11 ILE A 82 -0.322 2.571 3.555 1.00 61.34 H new ATOM 0 HD12 ILE A 82 -0.584 4.274 4.003 1.00 61.34 H new ATOM 0 HD13 ILE A 82 -0.261 3.062 5.265 1.00 61.34 H new ATOM 1309 N ASN A 83 -5.641 4.191 7.508 1.00 41.02 N ATOM 1310 CA ASN A 83 -6.326 5.092 8.427 1.00 12.10 C ATOM 1311 C ASN A 83 -5.452 6.296 8.761 1.00 2.32 C ATOM 1312 O ASN A 83 -4.225 6.198 8.792 1.00 4.24 O ATOM 1313 CB ASN A 83 -6.707 4.352 9.711 1.00 60.12 C ATOM 1314 CG ASN A 83 -8.150 3.886 9.703 1.00 3.22 C ATOM 1315 OD1 ASN A 83 -8.827 3.942 8.677 1.00 13.30 O ATOM 1316 ND2 ASN A 83 -8.628 3.424 10.853 1.00 41.24 N ATOM 0 H ASN A 83 -5.598 3.222 7.822 1.00 41.02 H new ATOM 0 HA ASN A 83 -7.233 5.448 7.938 1.00 12.10 H new ATOM 0 HB2 ASN A 83 -6.051 3.491 9.839 1.00 60.12 H new ATOM 0 HB3 ASN A 83 -6.544 5.007 10.567 1.00 60.12 H new ATOM 0 HD21 ASN A 83 -9.593 3.097 10.910 1.00 41.24 H new ATOM 0 HD22 ASN A 83 -8.030 3.396 11.679 1.00 41.24 H new ATOM 1323 N THR A 84 -6.091 7.435 9.011 1.00 12.21 N ATOM 1324 CA THR A 84 -5.373 8.659 9.342 1.00 31.42 C ATOM 1325 C THR A 84 -4.462 8.453 10.547 1.00 20.54 C ATOM 1326 O THR A 84 -3.267 8.745 10.490 1.00 34.14 O ATOM 1327 CB THR A 84 -6.344 9.817 9.640 1.00 72.30 C ATOM 1328 OG1 THR A 84 -7.693 9.398 9.407 1.00 22.32 O ATOM 1329 CG2 THR A 84 -6.026 11.026 8.772 1.00 61.01 C ATOM 0 H THR A 84 -7.106 7.535 8.990 1.00 12.21 H new ATOM 0 HA THR A 84 -4.769 8.916 8.472 1.00 31.42 H new ATOM 0 HB THR A 84 -6.228 10.099 10.686 1.00 72.30 H new ATOM 0 HG1 THR A 84 -8.304 10.139 9.600 1.00 22.32 H new ATOM 0 HG21 THR A 84 -6.724 11.831 9.000 1.00 61.01 H new ATOM 0 HG22 THR A 84 -5.008 11.361 8.973 1.00 61.01 H new ATOM 0 HG23 THR A 84 -6.117 10.753 7.721 1.00 61.01 H new ATOM 1337 N ILE A 85 -5.033 7.946 11.635 1.00 1.52 N ATOM 1338 CA ILE A 85 -4.270 7.700 12.852 1.00 34.24 C ATOM 1339 C ILE A 85 -3.127 6.724 12.597 1.00 43.40 C ATOM 1340 O ILE A 85 -1.979 6.989 12.954 1.00 12.32 O ATOM 1341 CB ILE A 85 -5.166 7.142 13.974 1.00 31.21 C ATOM 1342 CG1 ILE A 85 -6.328 8.096 14.252 1.00 54.32 C ATOM 1343 CG2 ILE A 85 -4.350 6.911 15.238 1.00 74.51 C ATOM 1344 CD1 ILE A 85 -7.386 7.513 15.163 1.00 54.04 C ATOM 0 H ILE A 85 -6.020 7.698 11.698 1.00 1.52 H new ATOM 0 HA ILE A 85 -3.861 8.660 13.167 1.00 34.24 H new ATOM 0 HB ILE A 85 -5.576 6.186 13.649 1.00 31.21 H new ATOM 0 HG12 ILE A 85 -5.938 9.010 14.700 1.00 54.32 H new ATOM 0 HG13 ILE A 85 -6.790 8.378 13.306 1.00 54.32 H new ATOM 0 HG21 ILE A 85 -4.997 6.517 16.022 1.00 74.51 H new ATOM 0 HG22 ILE A 85 -3.553 6.196 15.031 1.00 74.51 H new ATOM 0 HG23 ILE A 85 -3.915 7.854 15.567 1.00 74.51 H new ATOM 0 HD11 ILE A 85 -8.179 8.246 15.316 1.00 54.04 H new ATOM 0 HD12 ILE A 85 -7.804 6.615 14.707 1.00 54.04 H new ATOM 0 HD13 ILE A 85 -6.938 7.257 16.123 1.00 54.04 H new ATOM 1356 N ASP A 86 -3.449 5.595 11.975 1.00 41.22 N ATOM 1357 CA ASP A 86 -2.448 4.579 11.668 1.00 2.22 C ATOM 1358 C ASP A 86 -1.271 5.188 10.912 1.00 63.44 C ATOM 1359 O ASP A 86 -0.112 4.937 11.242 1.00 62.55 O ATOM 1360 CB ASP A 86 -3.071 3.452 10.844 1.00 22.43 C ATOM 1361 CG ASP A 86 -4.039 2.610 11.654 1.00 2.01 C ATOM 1362 OD1 ASP A 86 -4.085 2.784 12.891 1.00 74.05 O ATOM 1363 OD2 ASP A 86 -4.750 1.780 11.051 1.00 71.51 O ATOM 0 H ASP A 86 -4.395 5.360 11.674 1.00 41.22 H new ATOM 0 HA ASP A 86 -2.080 4.170 12.609 1.00 2.22 H new ATOM 0 HB2 ASP A 86 -3.593 3.878 9.987 1.00 22.43 H new ATOM 0 HB3 ASP A 86 -2.280 2.814 10.450 1.00 22.43 H new ATOM 1368 N TYR A 87 -1.576 5.986 9.896 1.00 55.31 N ATOM 1369 CA TYR A 87 -0.544 6.627 9.090 1.00 54.54 C ATOM 1370 C TYR A 87 0.322 7.547 9.945 1.00 2.53 C ATOM 1371 O TYR A 87 1.537 7.372 10.031 1.00 54.44 O ATOM 1372 CB TYR A 87 -1.180 7.423 7.948 1.00 23.24 C ATOM 1373 CG TYR A 87 -0.171 8.085 7.037 1.00 2.32 C ATOM 1374 CD1 TYR A 87 0.471 7.363 6.038 1.00 23.21 C ATOM 1375 CD2 TYR A 87 0.141 9.432 7.175 1.00 33.12 C ATOM 1376 CE1 TYR A 87 1.395 7.963 5.204 1.00 54.44 C ATOM 1377 CE2 TYR A 87 1.061 10.041 6.344 1.00 4.13 C ATOM 1378 CZ TYR A 87 1.685 9.302 5.360 1.00 43.23 C ATOM 1379 OH TYR A 87 2.604 9.905 4.531 1.00 41.01 O ATOM 0 H TYR A 87 -2.530 6.205 9.610 1.00 55.31 H new ATOM 0 HA TYR A 87 0.091 5.846 8.671 1.00 54.54 H new ATOM 0 HB2 TYR A 87 -1.808 6.756 7.357 1.00 23.24 H new ATOM 0 HB3 TYR A 87 -1.834 8.187 8.369 1.00 23.24 H new ATOM 0 HD1 TYR A 87 0.244 6.315 5.911 1.00 23.21 H new ATOM 0 HD2 TYR A 87 -0.344 10.013 7.945 1.00 33.12 H new ATOM 0 HE1 TYR A 87 1.887 7.387 4.435 1.00 54.44 H new ATOM 0 HE2 TYR A 87 1.291 11.089 6.464 1.00 4.13 H new ATOM 0 HH TYR A 87 2.692 10.851 4.773 1.00 41.01 H new ATOM 1389 N GLY A 88 -0.314 8.529 10.577 1.00 30.20 N ATOM 1390 CA GLY A 88 0.412 9.462 11.418 1.00 11.34 C ATOM 1391 C GLY A 88 1.278 8.763 12.448 1.00 72.12 C ATOM 1392 O GLY A 88 2.400 9.191 12.721 1.00 74.21 O ATOM 0 H GLY A 88 -1.319 8.695 10.521 1.00 30.20 H new ATOM 0 HA2 GLY A 88 1.039 10.098 10.793 1.00 11.34 H new ATOM 0 HA3 GLY A 88 -0.297 10.115 11.927 1.00 11.34 H new ATOM 1396 N THR A 89 0.756 7.684 13.022 1.00 30.31 N ATOM 1397 CA THR A 89 1.487 6.925 14.029 1.00 42.14 C ATOM 1398 C THR A 89 2.594 6.092 13.393 1.00 64.33 C ATOM 1399 O THR A 89 3.568 5.728 14.053 1.00 12.40 O ATOM 1400 CB THR A 89 0.551 5.993 14.821 1.00 13.42 C ATOM 1401 OG1 THR A 89 -0.061 5.047 13.937 1.00 11.54 O ATOM 1402 CG2 THR A 89 -0.526 6.793 15.540 1.00 64.21 C ATOM 0 H THR A 89 -0.171 7.316 12.807 1.00 30.31 H new ATOM 0 HA THR A 89 1.928 7.651 14.712 1.00 42.14 H new ATOM 0 HB THR A 89 1.146 5.463 15.565 1.00 13.42 H new ATOM 0 HG1 THR A 89 0.114 5.306 13.008 1.00 11.54 H new ATOM 0 HG21 THR A 89 -1.175 6.114 16.093 1.00 64.21 H new ATOM 0 HG22 THR A 89 -0.058 7.492 16.233 1.00 64.21 H new ATOM 0 HG23 THR A 89 -1.117 7.346 14.810 1.00 64.21 H new ATOM 1410 N MET A 90 2.440 5.794 12.107 1.00 30.43 N ATOM 1411 CA MET A 90 3.428 5.004 11.382 1.00 60.30 C ATOM 1412 C MET A 90 3.536 3.599 11.964 1.00 21.33 C ATOM 1413 O MET A 90 4.588 3.203 12.466 1.00 13.11 O ATOM 1414 CB MET A 90 4.794 5.693 11.426 1.00 31.12 C ATOM 1415 CG MET A 90 4.745 7.163 11.043 1.00 25.12 C ATOM 1416 SD MET A 90 5.336 8.243 12.361 1.00 63.12 S ATOM 1417 CE MET A 90 6.941 7.522 12.697 1.00 54.44 C ATOM 0 H MET A 90 1.641 6.088 11.546 1.00 30.43 H new ATOM 0 HA MET A 90 3.102 4.924 10.345 1.00 60.30 H new ATOM 0 HB2 MET A 90 5.206 5.601 12.431 1.00 31.12 H new ATOM 0 HB3 MET A 90 5.476 5.173 10.753 1.00 31.12 H new ATOM 0 HG2 MET A 90 5.349 7.322 10.150 1.00 25.12 H new ATOM 0 HG3 MET A 90 3.721 7.434 10.788 1.00 25.12 H new ATOM 0 HE1 MET A 90 6.929 7.049 13.679 1.00 54.44 H new ATOM 0 HE2 MET A 90 7.171 6.775 11.937 1.00 54.44 H new ATOM 0 HE3 MET A 90 7.701 8.303 12.680 1.00 54.44 H new ATOM 1427 N ASN A 91 2.440 2.848 11.895 1.00 2.13 N ATOM 1428 CA ASN A 91 2.412 1.487 12.417 1.00 21.04 C ATOM 1429 C ASN A 91 2.712 0.475 11.315 1.00 53.31 C ATOM 1430 O ASN A 91 1.814 0.043 10.593 1.00 11.32 O ATOM 1431 CB ASN A 91 1.048 1.186 13.043 1.00 43.41 C ATOM 1432 CG ASN A 91 1.051 -0.101 13.844 1.00 24.25 C ATOM 1433 OD1 ASN A 91 1.906 -0.966 13.648 1.00 54.41 O ATOM 1434 ND2 ASN A 91 0.091 -0.235 14.753 1.00 41.42 N ATOM 0 H ASN A 91 1.561 3.160 11.483 1.00 2.13 H new ATOM 0 HA ASN A 91 3.183 1.403 13.183 1.00 21.04 H new ATOM 0 HB2 ASN A 91 0.758 2.013 13.691 1.00 43.41 H new ATOM 0 HB3 ASN A 91 0.297 1.119 12.256 1.00 43.41 H new ATOM 0 HD21 ASN A 91 0.042 -1.080 15.322 1.00 41.42 H new ATOM 0 HD22 ASN A 91 -0.597 0.507 14.882 1.00 41.42 H new ATOM 1441 N GLY A 92 3.982 0.102 11.192 1.00 61.14 N ATOM 1442 CA GLY A 92 4.378 -0.855 10.176 1.00 62.21 C ATOM 1443 C GLY A 92 3.547 -2.123 10.218 1.00 42.41 C ATOM 1444 O GLY A 92 3.094 -2.609 9.182 1.00 35.25 O ATOM 0 H GLY A 92 4.743 0.445 11.778 1.00 61.14 H new ATOM 0 HA2 GLY A 92 4.284 -0.395 9.192 1.00 62.21 H new ATOM 0 HA3 GLY A 92 5.429 -1.109 10.310 1.00 62.21 H new ATOM 1448 N GLU A 93 3.350 -2.659 11.419 1.00 74.34 N ATOM 1449 CA GLU A 93 2.569 -3.879 11.589 1.00 3.24 C ATOM 1450 C GLU A 93 1.210 -3.756 10.907 1.00 52.34 C ATOM 1451 O GLU A 93 0.838 -4.593 10.084 1.00 51.52 O ATOM 1452 CB GLU A 93 2.379 -4.184 13.077 1.00 21.41 C ATOM 1453 CG GLU A 93 1.930 -5.610 13.352 1.00 15.13 C ATOM 1454 CD GLU A 93 1.709 -5.876 14.830 1.00 43.14 C ATOM 1455 OE1 GLU A 93 1.669 -4.902 15.609 1.00 62.20 O ATOM 1456 OE2 GLU A 93 1.578 -7.060 15.205 1.00 42.04 O ATOM 0 H GLU A 93 3.719 -2.269 12.286 1.00 74.34 H new ATOM 0 HA GLU A 93 3.116 -4.698 11.123 1.00 3.24 H new ATOM 0 HB2 GLU A 93 3.317 -4.000 13.600 1.00 21.41 H new ATOM 0 HB3 GLU A 93 1.643 -3.494 13.490 1.00 21.41 H new ATOM 0 HG2 GLU A 93 1.006 -5.808 12.809 1.00 15.13 H new ATOM 0 HG3 GLU A 93 2.679 -6.303 12.970 1.00 15.13 H new ATOM 1463 N LYS A 94 0.473 -2.708 11.256 1.00 54.43 N ATOM 1464 CA LYS A 94 -0.846 -2.473 10.678 1.00 41.53 C ATOM 1465 C LYS A 94 -0.754 -2.299 9.165 1.00 43.13 C ATOM 1466 O LYS A 94 -1.614 -2.771 8.422 1.00 14.34 O ATOM 1467 CB LYS A 94 -1.487 -1.233 11.306 1.00 71.44 C ATOM 1468 CG LYS A 94 -2.206 -1.516 12.614 1.00 62.45 C ATOM 1469 CD LYS A 94 -3.534 -2.217 12.379 1.00 55.32 C ATOM 1470 CE LYS A 94 -4.067 -2.844 13.658 1.00 14.10 C ATOM 1471 NZ LYS A 94 -4.383 -4.288 13.479 1.00 63.02 N ATOM 0 H LYS A 94 0.766 -2.007 11.937 1.00 54.43 H new ATOM 0 HA LYS A 94 -1.468 -3.343 10.889 1.00 41.53 H new ATOM 0 HB2 LYS A 94 -0.715 -0.484 11.480 1.00 71.44 H new ATOM 0 HB3 LYS A 94 -2.195 -0.802 10.598 1.00 71.44 H new ATOM 0 HG2 LYS A 94 -1.574 -2.135 13.251 1.00 62.45 H new ATOM 0 HG3 LYS A 94 -2.376 -0.580 13.147 1.00 62.45 H new ATOM 0 HD2 LYS A 94 -4.261 -1.502 11.993 1.00 55.32 H new ATOM 0 HD3 LYS A 94 -3.410 -2.988 11.619 1.00 55.32 H new ATOM 0 HE2 LYS A 94 -3.330 -2.730 14.453 1.00 14.10 H new ATOM 0 HE3 LYS A 94 -4.964 -2.313 13.976 1.00 14.10 H new ATOM 0 HZ1 LYS A 94 -4.743 -4.678 14.373 1.00 63.02 H new ATOM 0 HZ2 LYS A 94 -5.105 -4.396 12.738 1.00 63.02 H new ATOM 0 HZ3 LYS A 94 -3.522 -4.800 13.200 1.00 63.02 H new ATOM 1485 N VAL A 95 0.297 -1.621 8.715 1.00 43.20 N ATOM 1486 CA VAL A 95 0.503 -1.388 7.291 1.00 65.33 C ATOM 1487 C VAL A 95 0.615 -2.704 6.528 1.00 22.13 C ATOM 1488 O VAL A 95 -0.276 -3.066 5.760 1.00 32.40 O ATOM 1489 CB VAL A 95 1.772 -0.551 7.037 1.00 73.53 C ATOM 1490 CG1 VAL A 95 1.986 -0.345 5.544 1.00 20.53 C ATOM 1491 CG2 VAL A 95 1.684 0.784 7.760 1.00 35.40 C ATOM 0 H VAL A 95 1.019 -1.224 9.316 1.00 43.20 H new ATOM 0 HA VAL A 95 -0.366 -0.836 6.932 1.00 65.33 H new ATOM 0 HB VAL A 95 2.630 -1.096 7.431 1.00 73.53 H new ATOM 0 HG11 VAL A 95 2.886 0.248 5.384 1.00 20.53 H new ATOM 0 HG12 VAL A 95 2.097 -1.313 5.055 1.00 20.53 H new ATOM 0 HG13 VAL A 95 1.128 0.178 5.122 1.00 20.53 H new ATOM 0 HG21 VAL A 95 2.589 1.361 7.569 1.00 35.40 H new ATOM 0 HG22 VAL A 95 0.817 1.337 7.398 1.00 35.40 H new ATOM 0 HG23 VAL A 95 1.583 0.612 8.832 1.00 35.40 H new ATOM 1501 N LEU A 96 1.715 -3.416 6.747 1.00 44.32 N ATOM 1502 CA LEU A 96 1.944 -4.694 6.081 1.00 31.21 C ATOM 1503 C LEU A 96 0.748 -5.623 6.262 1.00 62.43 C ATOM 1504 O LEU A 96 0.356 -6.332 5.336 1.00 31.51 O ATOM 1505 CB LEU A 96 3.209 -5.357 6.629 1.00 35.53 C ATOM 1506 CG LEU A 96 3.324 -5.425 8.152 1.00 22.23 C ATOM 1507 CD1 LEU A 96 3.056 -6.839 8.646 1.00 53.14 C ATOM 1508 CD2 LEU A 96 4.699 -4.953 8.603 1.00 23.32 C ATOM 0 H LEU A 96 2.462 -3.130 7.380 1.00 44.32 H new ATOM 0 HA LEU A 96 2.074 -4.504 5.016 1.00 31.21 H new ATOM 0 HB2 LEU A 96 3.263 -6.372 6.235 1.00 35.53 H new ATOM 0 HB3 LEU A 96 4.074 -4.818 6.243 1.00 35.53 H new ATOM 0 HG LEU A 96 2.573 -4.763 8.584 1.00 22.23 H new ATOM 0 HD11 LEU A 96 3.142 -6.867 9.732 1.00 53.14 H new ATOM 0 HD12 LEU A 96 2.051 -7.142 8.354 1.00 53.14 H new ATOM 0 HD13 LEU A 96 3.783 -7.522 8.206 1.00 53.14 H new ATOM 0 HD21 LEU A 96 4.764 -5.008 9.690 1.00 23.32 H new ATOM 0 HD22 LEU A 96 5.465 -5.590 8.161 1.00 23.32 H new ATOM 0 HD23 LEU A 96 4.854 -3.923 8.282 1.00 23.32 H new ATOM 1520 N GLN A 97 0.173 -5.613 7.460 1.00 71.00 N ATOM 1521 CA GLN A 97 -0.979 -6.455 7.761 1.00 24.20 C ATOM 1522 C GLN A 97 -2.145 -6.135 6.832 1.00 5.13 C ATOM 1523 O GLN A 97 -2.729 -7.030 6.220 1.00 23.50 O ATOM 1524 CB GLN A 97 -1.407 -6.268 9.218 1.00 24.32 C ATOM 1525 CG GLN A 97 -0.604 -7.106 10.200 1.00 23.54 C ATOM 1526 CD GLN A 97 -1.141 -8.517 10.340 1.00 25.02 C ATOM 1527 OE1 GLN A 97 -1.898 -8.816 11.264 1.00 65.21 O ATOM 1528 NE2 GLN A 97 -0.751 -9.393 9.421 1.00 53.23 N ATOM 0 H GLN A 97 0.486 -5.032 8.238 1.00 71.00 H new ATOM 0 HA GLN A 97 -0.688 -7.494 7.605 1.00 24.20 H new ATOM 0 HB2 GLN A 97 -1.308 -5.216 9.485 1.00 24.32 H new ATOM 0 HB3 GLN A 97 -2.462 -6.523 9.314 1.00 24.32 H new ATOM 0 HG2 GLN A 97 0.435 -7.148 9.872 1.00 23.54 H new ATOM 0 HG3 GLN A 97 -0.610 -6.621 11.176 1.00 23.54 H new ATOM 0 HE21 GLN A 97 -0.122 -9.101 8.673 1.00 53.23 H new ATOM 0 HE22 GLN A 97 -1.080 -10.358 9.464 1.00 53.23 H new ATOM 1537 N LEU A 98 -2.480 -4.853 6.731 1.00 64.24 N ATOM 1538 CA LEU A 98 -3.577 -4.415 5.876 1.00 62.23 C ATOM 1539 C LEU A 98 -3.328 -4.812 4.424 1.00 15.30 C ATOM 1540 O LEU A 98 -4.182 -5.423 3.783 1.00 72.32 O ATOM 1541 CB LEU A 98 -3.755 -2.899 5.978 1.00 23.20 C ATOM 1542 CG LEU A 98 -5.092 -2.345 5.484 1.00 22.03 C ATOM 1543 CD1 LEU A 98 -6.241 -2.919 6.299 1.00 70.01 C ATOM 1544 CD2 LEU A 98 -5.097 -0.824 5.551 1.00 63.55 C ATOM 0 H LEU A 98 -2.008 -4.099 7.230 1.00 64.24 H new ATOM 0 HA LEU A 98 -4.489 -4.906 6.217 1.00 62.23 H new ATOM 0 HB2 LEU A 98 -3.627 -2.608 7.020 1.00 23.20 H new ATOM 0 HB3 LEU A 98 -2.955 -2.421 5.413 1.00 23.20 H new ATOM 0 HG LEU A 98 -5.225 -2.644 4.444 1.00 22.03 H new ATOM 0 HD11 LEU A 98 -7.184 -2.514 5.933 1.00 70.01 H new ATOM 0 HD12 LEU A 98 -6.250 -4.005 6.201 1.00 70.01 H new ATOM 0 HD13 LEU A 98 -6.113 -2.651 7.348 1.00 70.01 H new ATOM 0 HD21 LEU A 98 -6.056 -0.447 5.196 1.00 63.55 H new ATOM 0 HD22 LEU A 98 -4.941 -0.505 6.581 1.00 63.55 H new ATOM 0 HD23 LEU A 98 -4.297 -0.430 4.924 1.00 63.55 H new ATOM 1556 N ALA A 99 -2.152 -4.462 3.913 1.00 14.13 N ATOM 1557 CA ALA A 99 -1.790 -4.785 2.539 1.00 4.35 C ATOM 1558 C ALA A 99 -1.994 -6.269 2.252 1.00 40.02 C ATOM 1559 O ALA A 99 -2.735 -6.637 1.340 1.00 73.25 O ATOM 1560 CB ALA A 99 -0.346 -4.387 2.267 1.00 73.21 C ATOM 0 H ALA A 99 -1.434 -3.955 4.430 1.00 14.13 H new ATOM 0 HA ALA A 99 -2.443 -4.220 1.874 1.00 4.35 H new ATOM 0 HB1 ALA A 99 -0.088 -4.634 1.237 1.00 73.21 H new ATOM 0 HB2 ALA A 99 -0.228 -3.315 2.423 1.00 73.21 H new ATOM 0 HB3 ALA A 99 0.314 -4.927 2.945 1.00 73.21 H new ATOM 1566 N ILE A 100 -1.333 -7.115 3.035 1.00 53.33 N ATOM 1567 CA ILE A 100 -1.445 -8.559 2.863 1.00 4.55 C ATOM 1568 C ILE A 100 -2.899 -9.009 2.929 1.00 74.52 C ATOM 1569 O ILE A 100 -3.335 -9.851 2.144 1.00 42.23 O ATOM 1570 CB ILE A 100 -0.636 -9.315 3.933 1.00 1.11 C ATOM 1571 CG1 ILE A 100 0.839 -8.913 3.868 1.00 21.30 C ATOM 1572 CG2 ILE A 100 -0.790 -10.818 3.749 1.00 20.11 C ATOM 1573 CD1 ILE A 100 1.608 -9.232 5.131 1.00 4.41 C ATOM 0 H ILE A 100 -0.715 -6.826 3.794 1.00 53.33 H new ATOM 0 HA ILE A 100 -1.040 -8.793 1.879 1.00 4.55 H new ATOM 0 HB ILE A 100 -1.023 -9.047 4.916 1.00 1.11 H new ATOM 0 HG12 ILE A 100 1.309 -9.423 3.027 1.00 21.30 H new ATOM 0 HG13 ILE A 100 0.907 -7.843 3.671 1.00 21.30 H new ATOM 0 HG21 ILE A 100 -0.212 -11.339 4.513 1.00 20.11 H new ATOM 0 HG22 ILE A 100 -1.842 -11.090 3.841 1.00 20.11 H new ATOM 0 HG23 ILE A 100 -0.426 -11.103 2.762 1.00 20.11 H new ATOM 0 HD11 ILE A 100 2.646 -8.920 5.014 1.00 4.41 H new ATOM 0 HD12 ILE A 100 1.162 -8.701 5.972 1.00 4.41 H new ATOM 0 HD13 ILE A 100 1.571 -10.305 5.318 1.00 4.41 H new ATOM 1585 N ASN A 101 -3.648 -8.442 3.869 1.00 3.31 N ATOM 1586 CA ASN A 101 -5.055 -8.785 4.037 1.00 54.55 C ATOM 1587 C ASN A 101 -5.844 -8.480 2.766 1.00 23.23 C ATOM 1588 O ASN A 101 -6.678 -9.275 2.336 1.00 61.51 O ATOM 1589 CB ASN A 101 -5.652 -8.017 5.218 1.00 53.04 C ATOM 1590 CG ASN A 101 -6.765 -8.786 5.904 1.00 51.32 C ATOM 1591 OD1 ASN A 101 -6.591 -9.942 6.288 1.00 62.33 O ATOM 1592 ND2 ASN A 101 -7.917 -8.144 6.062 1.00 64.23 N ATOM 0 H ASN A 101 -3.304 -7.742 4.526 1.00 3.31 H new ATOM 0 HA ASN A 101 -5.121 -9.854 4.238 1.00 54.55 H new ATOM 0 HB2 ASN A 101 -4.866 -7.799 5.941 1.00 53.04 H new ATOM 0 HB3 ASN A 101 -6.038 -7.060 4.868 1.00 53.04 H new ATOM 0 HD21 ASN A 101 -8.702 -8.610 6.517 1.00 64.23 H new ATOM 0 HD22 ASN A 101 -8.017 -7.185 5.728 1.00 64.23 H new ATOM 1599 N ALA A 102 -5.573 -7.323 2.172 1.00 65.11 N ATOM 1600 CA ALA A 102 -6.254 -6.914 0.950 1.00 14.31 C ATOM 1601 C ALA A 102 -5.904 -7.839 -0.210 1.00 73.22 C ATOM 1602 O ALA A 102 -6.777 -8.245 -0.979 1.00 2.02 O ATOM 1603 CB ALA A 102 -5.902 -5.475 0.605 1.00 3.24 C ATOM 0 H ALA A 102 -4.887 -6.652 2.517 1.00 65.11 H new ATOM 0 HA ALA A 102 -7.328 -6.982 1.123 1.00 14.31 H new ATOM 0 HB1 ALA A 102 -6.418 -5.184 -0.310 1.00 3.24 H new ATOM 0 HB2 ALA A 102 -6.210 -4.820 1.420 1.00 3.24 H new ATOM 0 HB3 ALA A 102 -4.825 -5.389 0.458 1.00 3.24 H new ATOM 1609 N PHE A 103 -4.623 -8.169 -0.332 1.00 3.50 N ATOM 1610 CA PHE A 103 -4.157 -9.045 -1.401 1.00 21.03 C ATOM 1611 C PHE A 103 -4.809 -10.421 -1.298 1.00 44.14 C ATOM 1612 O PHE A 103 -5.295 -10.965 -2.289 1.00 5.32 O ATOM 1613 CB PHE A 103 -2.634 -9.185 -1.347 1.00 11.52 C ATOM 1614 CG PHE A 103 -2.063 -9.963 -2.498 1.00 11.34 C ATOM 1615 CD1 PHE A 103 -1.897 -9.369 -3.739 1.00 72.21 C ATOM 1616 CD2 PHE A 103 -1.690 -11.287 -2.338 1.00 33.34 C ATOM 1617 CE1 PHE A 103 -1.373 -10.083 -4.799 1.00 24.22 C ATOM 1618 CE2 PHE A 103 -1.165 -12.007 -3.395 1.00 23.24 C ATOM 1619 CZ PHE A 103 -1.005 -11.404 -4.627 1.00 53.10 C ATOM 0 H PHE A 103 -3.889 -7.843 0.296 1.00 3.50 H new ATOM 0 HA PHE A 103 -4.440 -8.598 -2.354 1.00 21.03 H new ATOM 0 HB2 PHE A 103 -2.186 -8.191 -1.332 1.00 11.52 H new ATOM 0 HB3 PHE A 103 -2.355 -9.674 -0.414 1.00 11.52 H new ATOM 0 HD1 PHE A 103 -2.180 -8.336 -3.879 1.00 72.21 H new ATOM 0 HD2 PHE A 103 -1.811 -11.763 -1.376 1.00 33.34 H new ATOM 0 HE1 PHE A 103 -1.251 -9.609 -5.762 1.00 24.22 H new ATOM 0 HE2 PHE A 103 -0.880 -13.040 -3.257 1.00 23.24 H new ATOM 0 HZ PHE A 103 -0.593 -11.963 -5.454 1.00 53.10 H new ATOM 1629 N ASN A 104 -4.814 -10.978 -0.091 1.00 65.32 N ATOM 1630 CA ASN A 104 -5.405 -12.291 0.141 1.00 24.23 C ATOM 1631 C ASN A 104 -6.901 -12.273 -0.150 1.00 75.41 C ATOM 1632 O ASN A 104 -7.412 -13.123 -0.879 1.00 51.23 O ATOM 1633 CB ASN A 104 -5.160 -12.735 1.585 1.00 41.12 C ATOM 1634 CG ASN A 104 -4.135 -13.848 1.682 1.00 51.11 C ATOM 1635 OD1 ASN A 104 -4.481 -15.030 1.646 1.00 3.42 O ATOM 1636 ND2 ASN A 104 -2.866 -13.476 1.805 1.00 11.15 N ATOM 0 H ASN A 104 -4.416 -10.541 0.740 1.00 65.32 H new ATOM 0 HA ASN A 104 -4.930 -13.001 -0.536 1.00 24.23 H new ATOM 0 HB2 ASN A 104 -4.822 -11.881 2.172 1.00 41.12 H new ATOM 0 HB3 ASN A 104 -6.100 -13.071 2.023 1.00 41.12 H new ATOM 0 HD21 ASN A 104 -2.132 -14.181 1.874 1.00 11.15 H new ATOM 0 HD22 ASN A 104 -2.625 -12.485 1.830 1.00 11.15 H new ATOM 1643 N ASN A 105 -7.600 -11.299 0.424 1.00 45.12 N ATOM 1644 CA ASN A 105 -9.039 -11.170 0.226 1.00 33.12 C ATOM 1645 C ASN A 105 -9.375 -11.050 -1.258 1.00 2.15 C ATOM 1646 O ASN A 105 -10.324 -11.666 -1.743 1.00 70.11 O ATOM 1647 CB ASN A 105 -9.572 -9.951 0.982 1.00 30.41 C ATOM 1648 CG ASN A 105 -10.027 -10.297 2.387 1.00 51.44 C ATOM 1649 OD1 ASN A 105 -11.216 -10.500 2.633 1.00 31.24 O ATOM 1650 ND2 ASN A 105 -9.080 -10.363 3.316 1.00 32.20 N ATOM 0 H ASN A 105 -7.193 -10.587 1.030 1.00 45.12 H new ATOM 0 HA ASN A 105 -9.517 -12.068 0.617 1.00 33.12 H new ATOM 0 HB2 ASN A 105 -8.794 -9.189 1.032 1.00 30.41 H new ATOM 0 HB3 ASN A 105 -10.406 -9.519 0.429 1.00 30.41 H new ATOM 0 HD21 ASN A 105 -9.326 -10.590 4.280 1.00 32.20 H new ATOM 0 HD22 ASN A 105 -8.107 -10.187 3.066 1.00 32.20 H new ATOM 1657 N LYS A 106 -8.591 -10.251 -1.973 1.00 44.13 N ATOM 1658 CA LYS A 106 -8.802 -10.050 -3.402 1.00 2.11 C ATOM 1659 C LYS A 106 -10.227 -9.583 -3.680 1.00 62.52 C ATOM 1660 O LYS A 106 -10.769 -9.823 -4.759 1.00 43.11 O ATOM 1661 CB LYS A 106 -8.518 -11.344 -4.168 1.00 14.00 C ATOM 1662 CG LYS A 106 -7.493 -11.183 -5.277 1.00 34.11 C ATOM 1663 CD LYS A 106 -7.764 -12.135 -6.429 1.00 12.21 C ATOM 1664 CE LYS A 106 -7.026 -11.709 -7.690 1.00 21.04 C ATOM 1665 NZ LYS A 106 -7.888 -10.894 -8.589 1.00 72.20 N ATOM 0 H LYS A 106 -7.803 -9.732 -1.586 1.00 44.13 H new ATOM 0 HA LYS A 106 -8.112 -9.277 -3.741 1.00 2.11 H new ATOM 0 HB2 LYS A 106 -8.166 -12.101 -3.467 1.00 14.00 H new ATOM 0 HB3 LYS A 106 -9.449 -11.714 -4.597 1.00 14.00 H new ATOM 0 HG2 LYS A 106 -7.508 -10.156 -5.641 1.00 34.11 H new ATOM 0 HG3 LYS A 106 -6.494 -11.366 -4.880 1.00 34.11 H new ATOM 0 HD2 LYS A 106 -7.457 -13.143 -6.149 1.00 12.21 H new ATOM 0 HD3 LYS A 106 -8.835 -12.172 -6.628 1.00 12.21 H new ATOM 0 HE2 LYS A 106 -6.141 -11.134 -7.416 1.00 21.04 H new ATOM 0 HE3 LYS A 106 -6.679 -12.594 -8.224 1.00 21.04 H new ATOM 0 HZ1 LYS A 106 -7.349 -10.624 -9.436 1.00 72.20 H new ATOM 0 HZ2 LYS A 106 -8.720 -11.451 -8.871 1.00 72.20 H new ATOM 0 HZ3 LYS A 106 -8.199 -10.037 -8.089 1.00 72.20 H new