USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 785 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 69 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 83 SER OG : rot 134:sc= 1.18 USER MOD Set 2.1: A 47 SER OG : rot 170:sc= 0 USER MOD Set 2.2: A 98 GLN : amide:sc= -0.0282 K(o=-0.028,f=-1.2) USER MOD Single : A 2 ASN : amide:sc= 0.53 K(o=0.53,f=-4.4!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HE2:sc= -0.259 K(o=-0.26,f=-4.2!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 77:sc= 1.23 USER MOD Single : A 28 SER OG : rot -71:sc= 1.28 USER MOD Single : A 32 CYS SG : rot 6:sc= -1.91 USER MOD Single : A 35 ASN : amide:sc= -0.0238 X(o=-0.024,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 77:sc= 0.717 USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 54 GLN : amide:sc= -0.0951 X(o=-0.095,f=-0.095) USER MOD Single : A 58 HIS : no HE2:sc= -0.464 K(o=-0.46,f=-1.7!) USER MOD Single : A 59 GLN : amide:sc= 0.608 K(o=0.61,f=-0.012) USER MOD Single : A 64 THR OG1 : rot -150:sc= -0.0706 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 70 HIS : no HE2:sc= 0.263 K(o=0.26,f=-1.6) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot -100:sc= -0.834 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0.819 K(o=0.82,f=0) USER MOD Single : A 96 THR OG1 : rot 66:sc= 0.203 USER MOD Single : A 97 GLN : amide:sc= -0.011 X(o=-0.011,f=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 123:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 17 N ASN A 2 2.469 -17.282 -12.029 1.00 1.00 N ATOM 18 CA ASN A 2 3.008 -17.974 -10.899 1.00 1.00 C ATOM 19 C ASN A 2 3.915 -17.131 -10.071 1.00 1.00 C ATOM 20 O ASN A 2 4.000 -15.919 -10.264 1.00 1.00 O ATOM 21 CB ASN A 2 3.656 -19.271 -11.413 1.00 1.00 C ATOM 22 CG ASN A 2 3.413 -20.443 -10.473 1.00 1.00 C ATOM 23 OD1 ASN A 2 4.020 -20.526 -9.406 1.00 1.00 O ATOM 24 ND2 ASN A 2 2.499 -21.375 -10.854 1.00 1.00 N ATOM 0 HA ASN A 2 2.208 -18.227 -10.203 1.00 1.00 H new ATOM 0 HB2 ASN A 2 3.257 -19.509 -12.399 1.00 1.00 H new ATOM 0 HB3 ASN A 2 4.729 -19.118 -11.531 1.00 1.00 H new ATOM 0 HD21 ASN A 2 2.300 -22.171 -10.249 1.00 1.00 H new ATOM 0 HD22 ASN A 2 2.012 -21.278 -11.745 1.00 1.00 H new ATOM 31 N ASP A 3 4.607 -17.708 -9.074 1.00 1.00 N ATOM 32 CA ASP A 3 5.264 -17.006 -8.014 1.00 1.00 C ATOM 33 C ASP A 3 6.350 -16.071 -8.420 1.00 1.00 C ATOM 34 O ASP A 3 6.362 -14.906 -8.024 1.00 1.00 O ATOM 35 CB ASP A 3 5.661 -17.920 -6.843 1.00 1.00 C ATOM 36 CG ASP A 3 6.978 -18.675 -6.942 1.00 1.00 C ATOM 37 OD1 ASP A 3 7.201 -19.415 -7.937 1.00 1.00 O ATOM 38 OD2 ASP A 3 7.803 -18.553 -5.997 1.00 1.00 O ATOM 0 H ASP A 3 4.714 -18.720 -9.003 1.00 1.00 H new ATOM 0 HA ASP A 3 4.489 -16.335 -7.645 1.00 1.00 H new ATOM 0 HB2 ASP A 3 5.692 -17.311 -5.940 1.00 1.00 H new ATOM 0 HB3 ASP A 3 4.865 -18.652 -6.706 1.00 1.00 H new ATOM 43 N SER A 4 7.287 -16.523 -9.271 1.00 1.00 N ATOM 44 CA SER A 4 8.381 -15.748 -9.769 1.00 1.00 C ATOM 45 C SER A 4 7.944 -14.568 -10.568 1.00 1.00 C ATOM 46 O SER A 4 8.501 -13.475 -10.470 1.00 1.00 O ATOM 47 CB SER A 4 9.362 -16.591 -10.602 1.00 1.00 C ATOM 48 OG SER A 4 8.742 -17.252 -11.694 1.00 1.00 O ATOM 0 H SER A 4 7.282 -17.478 -9.630 1.00 1.00 H new ATOM 0 HA SER A 4 8.894 -15.384 -8.879 1.00 1.00 H new ATOM 0 HB2 SER A 4 10.156 -15.946 -10.979 1.00 1.00 H new ATOM 0 HB3 SER A 4 9.833 -17.332 -9.957 1.00 1.00 H new ATOM 0 HG SER A 4 9.413 -17.769 -12.187 1.00 1.00 H new ATOM 54 N GLU A 5 6.867 -14.748 -11.353 1.00 1.00 N ATOM 55 CA GLU A 5 6.260 -13.770 -12.202 1.00 1.00 C ATOM 56 C GLU A 5 5.575 -12.700 -11.424 1.00 1.00 C ATOM 57 O GLU A 5 5.832 -11.513 -11.617 1.00 1.00 O ATOM 58 CB GLU A 5 5.290 -14.493 -13.150 1.00 1.00 C ATOM 59 CG GLU A 5 5.921 -15.705 -13.840 1.00 1.00 C ATOM 60 CD GLU A 5 4.996 -16.329 -14.875 1.00 1.00 C ATOM 61 OE1 GLU A 5 4.012 -17.016 -14.486 1.00 1.00 O ATOM 62 OE2 GLU A 5 5.245 -16.139 -16.095 1.00 1.00 O ATOM 0 H GLU A 5 6.385 -15.646 -11.397 1.00 1.00 H new ATOM 0 HA GLU A 5 7.033 -13.264 -12.781 1.00 1.00 H new ATOM 0 HB2 GLU A 5 4.414 -14.817 -12.587 1.00 1.00 H new ATOM 0 HB3 GLU A 5 4.940 -13.792 -13.908 1.00 1.00 H new ATOM 0 HG2 GLU A 5 6.850 -15.402 -14.323 1.00 1.00 H new ATOM 0 HG3 GLU A 5 6.180 -16.453 -13.090 1.00 1.00 H new ATOM 69 N PHE A 6 4.730 -13.082 -10.449 1.00 1.00 N ATOM 70 CA PHE A 6 4.113 -12.183 -9.522 1.00 1.00 C ATOM 71 C PHE A 6 5.101 -11.428 -8.700 1.00 1.00 C ATOM 72 O PHE A 6 4.918 -10.239 -8.448 1.00 1.00 O ATOM 73 CB PHE A 6 3.174 -12.947 -8.575 1.00 1.00 C ATOM 74 CG PHE A 6 1.746 -12.819 -8.985 1.00 1.00 C ATOM 75 CD1 PHE A 6 1.016 -11.732 -8.567 1.00 1.00 C ATOM 76 CD2 PHE A 6 1.127 -13.794 -9.730 1.00 1.00 C ATOM 77 CE1 PHE A 6 -0.315 -11.615 -8.890 1.00 1.00 C ATOM 78 CE2 PHE A 6 -0.202 -13.681 -10.062 1.00 1.00 C ATOM 79 CZ PHE A 6 -0.925 -12.587 -9.647 1.00 1.00 C ATOM 0 H PHE A 6 4.466 -14.056 -10.300 1.00 1.00 H new ATOM 0 HA PHE A 6 3.554 -11.467 -10.124 1.00 1.00 H new ATOM 0 HB2 PHE A 6 3.454 -14.000 -8.558 1.00 1.00 H new ATOM 0 HB3 PHE A 6 3.296 -12.569 -7.560 1.00 1.00 H new ATOM 0 HD1 PHE A 6 1.493 -10.962 -7.979 1.00 1.00 H new ATOM 0 HD2 PHE A 6 1.689 -14.656 -10.057 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -0.881 -10.760 -8.549 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -0.679 -14.452 -10.649 1.00 1.00 H new ATOM 0 HZ PHE A 6 -1.967 -12.492 -9.915 1.00 1.00 H new ATOM 89 N HIS A 7 6.202 -12.073 -8.274 1.00 1.00 N ATOM 90 CA HIS A 7 7.270 -11.494 -7.520 1.00 1.00 C ATOM 91 C HIS A 7 8.008 -10.466 -8.306 1.00 1.00 C ATOM 92 O HIS A 7 8.252 -9.374 -7.797 1.00 1.00 O ATOM 93 CB HIS A 7 8.229 -12.594 -7.034 1.00 1.00 C ATOM 94 CG HIS A 7 9.489 -12.054 -6.424 1.00 1.00 C ATOM 95 ND1 HIS A 7 9.740 -11.939 -5.082 1.00 1.00 N ATOM 96 CD2 HIS A 7 10.538 -11.478 -7.071 1.00 1.00 C ATOM 97 CE1 HIS A 7 10.885 -11.306 -4.918 1.00 1.00 C ATOM 98 NE2 HIS A 7 11.387 -11.011 -6.102 1.00 1.00 N ATOM 0 H HIS A 7 6.355 -13.062 -8.469 1.00 1.00 H new ATOM 0 HA HIS A 7 6.835 -10.991 -6.656 1.00 1.00 H new ATOM 0 HB2 HIS A 7 7.716 -13.216 -6.301 1.00 1.00 H new ATOM 0 HB3 HIS A 7 8.487 -13.239 -7.874 1.00 1.00 H new ATOM 0 HD1 HIS A 7 9.140 -12.286 -4.333 1.00 1.00 H new ATOM 0 HD2 HIS A 7 10.675 -11.403 -8.140 1.00 1.00 H new ATOM 0 HE1 HIS A 7 11.339 -11.067 -3.967 1.00 1.00 H new ATOM 106 N ARG A 8 8.404 -10.763 -9.557 1.00 1.00 N ATOM 107 CA ARG A 8 9.077 -9.858 -10.437 1.00 1.00 C ATOM 108 C ARG A 8 8.322 -8.593 -10.655 1.00 1.00 C ATOM 109 O ARG A 8 8.803 -7.499 -10.365 1.00 1.00 O ATOM 110 CB ARG A 8 9.315 -10.508 -11.810 1.00 1.00 C ATOM 111 CG ARG A 8 10.134 -9.650 -12.777 1.00 1.00 C ATOM 112 CD ARG A 8 10.327 -10.251 -14.173 1.00 1.00 C ATOM 113 NE ARG A 8 9.022 -10.210 -14.891 1.00 1.00 N ATOM 114 CZ ARG A 8 8.311 -11.303 -15.292 1.00 1.00 C ATOM 115 NH1 ARG A 8 8.601 -12.585 -14.920 1.00 1.00 N ATOM 116 NH2 ARG A 8 7.256 -11.112 -16.137 1.00 1.00 N ATOM 0 H ARG A 8 8.247 -11.680 -9.975 1.00 1.00 H new ATOM 0 HA ARG A 8 10.023 -9.621 -9.949 1.00 1.00 H new ATOM 0 HB2 ARG A 8 9.826 -11.460 -11.665 1.00 1.00 H new ATOM 0 HB3 ARG A 8 8.350 -10.730 -12.267 1.00 1.00 H new ATOM 0 HG2 ARG A 8 9.647 -8.680 -12.880 1.00 1.00 H new ATOM 0 HG3 ARG A 8 11.115 -9.469 -12.337 1.00 1.00 H new ATOM 0 HD2 ARG A 8 11.081 -9.690 -14.726 1.00 1.00 H new ATOM 0 HD3 ARG A 8 10.685 -11.278 -14.097 1.00 1.00 H new ATOM 0 HE ARG A 8 8.629 -9.292 -15.099 1.00 1.00 H new ATOM 0 HH11 ARG A 8 9.393 -12.771 -14.304 1.00 1.00 H new ATOM 0 HH12 ARG A 8 8.026 -13.357 -15.258 1.00 1.00 H new ATOM 0 HH21 ARG A 8 7.018 -10.171 -16.451 1.00 1.00 H new ATOM 0 HH22 ARG A 8 6.706 -11.910 -16.454 1.00 1.00 H new ATOM 130 N LEU A 9 7.071 -8.714 -11.136 1.00 1.00 N ATOM 131 CA LEU A 9 6.189 -7.612 -11.370 1.00 1.00 C ATOM 132 C LEU A 9 5.936 -6.793 -10.152 1.00 1.00 C ATOM 133 O LEU A 9 5.983 -5.566 -10.213 1.00 1.00 O ATOM 134 CB LEU A 9 4.871 -8.144 -11.955 1.00 1.00 C ATOM 135 CG LEU A 9 4.984 -8.569 -13.429 1.00 1.00 C ATOM 136 CD1 LEU A 9 3.818 -9.491 -13.824 1.00 1.00 C ATOM 137 CD2 LEU A 9 5.034 -7.352 -14.365 1.00 1.00 C ATOM 0 H LEU A 9 6.657 -9.616 -11.371 1.00 1.00 H new ATOM 0 HA LEU A 9 6.675 -6.943 -12.080 1.00 1.00 H new ATOM 0 HB2 LEU A 9 4.538 -8.997 -11.363 1.00 1.00 H new ATOM 0 HB3 LEU A 9 4.105 -7.374 -11.864 1.00 1.00 H new ATOM 0 HG LEU A 9 5.919 -9.118 -13.537 1.00 1.00 H new ATOM 0 HD11 LEU A 9 3.920 -9.778 -14.871 1.00 1.00 H new ATOM 0 HD12 LEU A 9 3.833 -10.384 -13.199 1.00 1.00 H new ATOM 0 HD13 LEU A 9 2.874 -8.965 -13.682 1.00 1.00 H new ATOM 0 HD21 LEU A 9 5.114 -7.691 -15.398 1.00 1.00 H new ATOM 0 HD22 LEU A 9 4.124 -6.763 -14.245 1.00 1.00 H new ATOM 0 HD23 LEU A 9 5.899 -6.737 -14.117 1.00 1.00 H new ATOM 149 N ALA A 10 5.733 -7.437 -8.990 1.00 1.00 N ATOM 150 CA ALA A 10 5.621 -6.790 -7.718 1.00 1.00 C ATOM 151 C ALA A 10 6.811 -5.959 -7.377 1.00 1.00 C ATOM 152 O ALA A 10 6.670 -4.752 -7.182 1.00 1.00 O ATOM 153 CB ALA A 10 5.380 -7.789 -6.575 1.00 1.00 C ATOM 0 H ALA A 10 5.643 -8.451 -8.933 1.00 1.00 H new ATOM 0 HA ALA A 10 4.756 -6.135 -7.819 1.00 1.00 H new ATOM 0 HB1 ALA A 10 5.302 -7.250 -5.631 1.00 1.00 H new ATOM 0 HB2 ALA A 10 4.455 -8.335 -6.758 1.00 1.00 H new ATOM 0 HB3 ALA A 10 6.212 -8.491 -6.524 1.00 1.00 H new ATOM 159 N ASP A 11 8.021 -6.544 -7.332 1.00 1.00 N ATOM 160 CA ASP A 11 9.245 -5.900 -6.963 1.00 1.00 C ATOM 161 C ASP A 11 9.542 -4.673 -7.752 1.00 1.00 C ATOM 162 O ASP A 11 9.863 -3.618 -7.203 1.00 1.00 O ATOM 163 CB ASP A 11 10.364 -6.948 -7.097 1.00 1.00 C ATOM 164 CG ASP A 11 11.581 -6.579 -6.261 1.00 1.00 C ATOM 165 OD1 ASP A 11 11.428 -6.367 -5.029 1.00 1.00 O ATOM 166 OD2 ASP A 11 12.706 -6.499 -6.824 1.00 1.00 O ATOM 0 H ASP A 11 8.153 -7.528 -7.568 1.00 1.00 H new ATOM 0 HA ASP A 11 9.161 -5.540 -5.937 1.00 1.00 H new ATOM 0 HB2 ASP A 11 9.989 -7.923 -6.785 1.00 1.00 H new ATOM 0 HB3 ASP A 11 10.655 -7.039 -8.144 1.00 1.00 H new ATOM 171 N GLN A 12 9.375 -4.763 -9.083 1.00 1.00 N ATOM 172 CA GLN A 12 9.426 -3.645 -9.974 1.00 1.00 C ATOM 173 C GLN A 12 8.461 -2.552 -9.675 1.00 1.00 C ATOM 174 O GLN A 12 8.858 -1.398 -9.518 1.00 1.00 O ATOM 175 CB GLN A 12 9.272 -4.065 -11.446 1.00 1.00 C ATOM 176 CG GLN A 12 10.389 -4.998 -11.918 1.00 1.00 C ATOM 177 CD GLN A 12 10.565 -4.948 -13.429 1.00 1.00 C ATOM 178 OE1 GLN A 12 10.186 -5.844 -14.181 1.00 1.00 O ATOM 179 NE2 GLN A 12 11.161 -3.828 -13.920 1.00 1.00 N ATOM 0 H GLN A 12 9.198 -5.648 -9.557 1.00 1.00 H new ATOM 0 HA GLN A 12 10.423 -3.238 -9.805 1.00 1.00 H new ATOM 0 HB2 GLN A 12 8.311 -4.561 -11.578 1.00 1.00 H new ATOM 0 HB3 GLN A 12 9.260 -3.174 -12.074 1.00 1.00 H new ATOM 0 HG2 GLN A 12 11.325 -4.719 -11.433 1.00 1.00 H new ATOM 0 HG3 GLN A 12 10.163 -6.019 -11.612 1.00 1.00 H new ATOM 0 HE21 GLN A 12 11.470 -3.094 -13.283 1.00 1.00 H new ATOM 0 HE22 GLN A 12 11.299 -3.723 -14.925 1.00 1.00 H new ATOM 188 N LEU A 13 7.146 -2.824 -9.583 1.00 1.00 N ATOM 189 CA LEU A 13 6.179 -1.800 -9.337 1.00 1.00 C ATOM 190 C LEU A 13 6.186 -1.218 -7.966 1.00 1.00 C ATOM 191 O LEU A 13 6.054 -0.003 -7.828 1.00 1.00 O ATOM 192 CB LEU A 13 4.783 -2.204 -9.839 1.00 1.00 C ATOM 193 CG LEU A 13 3.966 -3.295 -9.127 1.00 1.00 C ATOM 194 CD1 LEU A 13 3.012 -2.691 -8.082 1.00 1.00 C ATOM 195 CD2 LEU A 13 3.136 -4.069 -10.165 1.00 1.00 C ATOM 0 H LEU A 13 6.751 -3.760 -9.680 1.00 1.00 H new ATOM 0 HA LEU A 13 6.505 -0.955 -9.943 1.00 1.00 H new ATOM 0 HB2 LEU A 13 4.173 -1.301 -9.843 1.00 1.00 H new ATOM 0 HB3 LEU A 13 4.896 -2.517 -10.877 1.00 1.00 H new ATOM 0 HG LEU A 13 4.664 -3.960 -8.618 1.00 1.00 H new ATOM 0 HD11 LEU A 13 2.450 -3.490 -7.598 1.00 1.00 H new ATOM 0 HD12 LEU A 13 3.589 -2.148 -7.334 1.00 1.00 H new ATOM 0 HD13 LEU A 13 2.320 -2.007 -8.573 1.00 1.00 H new ATOM 0 HD21 LEU A 13 2.556 -4.843 -9.663 1.00 1.00 H new ATOM 0 HD22 LEU A 13 2.460 -3.383 -10.676 1.00 1.00 H new ATOM 0 HD23 LEU A 13 3.803 -4.530 -10.893 1.00 1.00 H new ATOM 207 N TRP A 14 6.431 -2.026 -6.919 1.00 1.00 N ATOM 208 CA TRP A 14 6.757 -1.658 -5.577 1.00 1.00 C ATOM 209 C TRP A 14 7.763 -0.561 -5.517 1.00 1.00 C ATOM 210 O TRP A 14 7.511 0.531 -5.007 1.00 1.00 O ATOM 211 CB TRP A 14 7.333 -2.857 -4.806 1.00 1.00 C ATOM 212 CG TRP A 14 6.454 -3.678 -3.893 1.00 1.00 C ATOM 213 CD1 TRP A 14 6.783 -4.018 -2.613 1.00 1.00 C ATOM 214 CD2 TRP A 14 5.173 -4.290 -4.141 1.00 1.00 C ATOM 215 NE1 TRP A 14 5.783 -4.747 -2.026 1.00 1.00 N ATOM 216 CE2 TRP A 14 4.786 -4.928 -2.956 1.00 1.00 C ATOM 217 CE3 TRP A 14 4.360 -4.328 -5.240 1.00 1.00 C ATOM 218 CZ2 TRP A 14 3.590 -5.586 -2.866 1.00 1.00 C ATOM 219 CZ3 TRP A 14 3.181 -5.032 -5.160 1.00 1.00 C ATOM 220 CH2 TRP A 14 2.803 -5.653 -3.992 1.00 1.00 C ATOM 0 H TRP A 14 6.396 -3.040 -7.027 1.00 1.00 H new ATOM 0 HA TRP A 14 5.825 -1.317 -5.127 1.00 1.00 H new ATOM 0 HB2 TRP A 14 7.757 -3.539 -5.543 1.00 1.00 H new ATOM 0 HB3 TRP A 14 8.161 -2.484 -4.204 1.00 1.00 H new ATOM 0 HD1 TRP A 14 7.709 -3.748 -2.127 1.00 1.00 H new ATOM 0 HE1 TRP A 14 5.778 -5.095 -1.067 1.00 1.00 H new ATOM 0 HE3 TRP A 14 4.637 -3.817 -6.150 1.00 1.00 H new ATOM 0 HZ2 TRP A 14 3.273 -6.039 -1.938 1.00 1.00 H new ATOM 0 HZ3 TRP A 14 2.542 -5.098 -6.028 1.00 1.00 H new ATOM 0 HH2 TRP A 14 1.873 -6.202 -3.959 1.00 1.00 H new ATOM 231 N LEU A 15 8.956 -0.811 -6.085 1.00 1.00 N ATOM 232 CA LEU A 15 10.029 0.131 -6.153 1.00 1.00 C ATOM 233 C LEU A 15 9.698 1.357 -6.931 1.00 1.00 C ATOM 234 O LEU A 15 9.980 2.481 -6.519 1.00 1.00 O ATOM 235 CB LEU A 15 11.252 -0.575 -6.763 1.00 1.00 C ATOM 236 CG LEU A 15 12.513 0.289 -6.939 1.00 1.00 C ATOM 237 CD1 LEU A 15 12.987 0.922 -5.620 1.00 1.00 C ATOM 238 CD2 LEU A 15 13.647 -0.564 -7.530 1.00 1.00 C ATOM 0 H LEU A 15 9.182 -1.708 -6.515 1.00 1.00 H new ATOM 0 HA LEU A 15 10.236 0.474 -5.139 1.00 1.00 H new ATOM 0 HB2 LEU A 15 11.505 -1.428 -6.133 1.00 1.00 H new ATOM 0 HB3 LEU A 15 10.969 -0.971 -7.738 1.00 1.00 H new ATOM 0 HG LEU A 15 12.252 1.102 -7.617 1.00 1.00 H new ATOM 0 HD11 LEU A 15 13.879 1.520 -5.804 1.00 1.00 H new ATOM 0 HD12 LEU A 15 12.199 1.559 -5.218 1.00 1.00 H new ATOM 0 HD13 LEU A 15 13.219 0.136 -4.902 1.00 1.00 H new ATOM 0 HD21 LEU A 15 14.538 0.051 -7.653 1.00 1.00 H new ATOM 0 HD22 LEU A 15 13.868 -1.392 -6.857 1.00 1.00 H new ATOM 0 HD23 LEU A 15 13.340 -0.956 -8.499 1.00 1.00 H new ATOM 250 N THR A 16 9.026 1.181 -8.083 1.00 1.00 N ATOM 251 CA THR A 16 8.554 2.225 -8.940 1.00 1.00 C ATOM 252 C THR A 16 7.679 3.205 -8.236 1.00 1.00 C ATOM 253 O THR A 16 7.949 4.405 -8.278 1.00 1.00 O ATOM 254 CB THR A 16 7.850 1.728 -10.168 1.00 1.00 C ATOM 255 OG1 THR A 16 8.716 0.902 -10.931 1.00 1.00 O ATOM 256 CG2 THR A 16 7.427 2.874 -11.105 1.00 1.00 C ATOM 0 H THR A 16 8.798 0.252 -8.437 1.00 1.00 H new ATOM 0 HA THR A 16 9.466 2.731 -9.257 1.00 1.00 H new ATOM 0 HB THR A 16 6.972 1.190 -9.811 1.00 1.00 H new ATOM 0 HG1 THR A 16 8.786 0.021 -10.507 1.00 1.00 H new ATOM 0 HG21 THR A 16 6.922 2.462 -11.979 1.00 1.00 H new ATOM 0 HG22 THR A 16 6.749 3.545 -10.577 1.00 1.00 H new ATOM 0 HG23 THR A 16 8.310 3.428 -11.424 1.00 1.00 H new ATOM 264 N ILE A 17 6.634 2.739 -7.529 1.00 1.00 N ATOM 265 CA ILE A 17 5.749 3.525 -6.727 1.00 1.00 C ATOM 266 C ILE A 17 6.468 4.264 -5.651 1.00 1.00 C ATOM 267 O ILE A 17 6.335 5.483 -5.561 1.00 1.00 O ATOM 268 CB ILE A 17 4.619 2.720 -6.155 1.00 1.00 C ATOM 269 CG1 ILE A 17 3.748 2.125 -7.274 1.00 1.00 C ATOM 270 CG2 ILE A 17 3.726 3.588 -5.255 1.00 1.00 C ATOM 271 CD1 ILE A 17 2.821 1.009 -6.792 1.00 1.00 C ATOM 0 H ILE A 17 6.392 1.748 -7.518 1.00 1.00 H new ATOM 0 HA ILE A 17 5.314 4.261 -7.403 1.00 1.00 H new ATOM 0 HB ILE A 17 5.063 1.917 -5.567 1.00 1.00 H new ATOM 0 HG12 ILE A 17 3.148 2.919 -7.719 1.00 1.00 H new ATOM 0 HG13 ILE A 17 4.395 1.736 -8.060 1.00 1.00 H new ATOM 0 HG21 ILE A 17 2.915 2.981 -4.853 1.00 1.00 H new ATOM 0 HG22 ILE A 17 4.319 3.991 -4.434 1.00 1.00 H new ATOM 0 HG23 ILE A 17 3.310 4.409 -5.839 1.00 1.00 H new ATOM 0 HD11 ILE A 17 2.236 0.634 -7.632 1.00 1.00 H new ATOM 0 HD12 ILE A 17 3.416 0.197 -6.373 1.00 1.00 H new ATOM 0 HD13 ILE A 17 2.150 1.399 -6.027 1.00 1.00 H new ATOM 283 N GLU A 18 7.289 3.589 -4.825 1.00 1.00 N ATOM 284 CA GLU A 18 7.987 4.196 -3.734 1.00 1.00 C ATOM 285 C GLU A 18 8.848 5.348 -4.125 1.00 1.00 C ATOM 286 O GLU A 18 8.774 6.433 -3.551 1.00 1.00 O ATOM 287 CB GLU A 18 8.856 3.181 -2.974 1.00 1.00 C ATOM 288 CG GLU A 18 9.174 3.592 -1.536 1.00 1.00 C ATOM 289 CD GLU A 18 10.580 3.241 -1.072 1.00 1.00 C ATOM 290 OE1 GLU A 18 11.547 3.869 -1.582 1.00 1.00 O ATOM 291 OE2 GLU A 18 10.757 2.361 -0.186 1.00 1.00 O ATOM 0 H GLU A 18 7.472 2.590 -4.920 1.00 1.00 H new ATOM 0 HA GLU A 18 7.193 4.574 -3.090 1.00 1.00 H new ATOM 0 HB2 GLU A 18 8.346 2.218 -2.962 1.00 1.00 H new ATOM 0 HB3 GLU A 18 9.791 3.040 -3.516 1.00 1.00 H new ATOM 0 HG2 GLU A 18 9.032 4.668 -1.440 1.00 1.00 H new ATOM 0 HG3 GLU A 18 8.456 3.115 -0.869 1.00 1.00 H new ATOM 298 N GLU A 19 9.697 5.166 -5.154 1.00 1.00 N ATOM 299 CA GLU A 19 10.562 6.182 -5.669 1.00 1.00 C ATOM 300 C GLU A 19 9.837 7.325 -6.290 1.00 1.00 C ATOM 301 O GLU A 19 10.098 8.484 -5.972 1.00 1.00 O ATOM 302 CB GLU A 19 11.560 5.573 -6.669 1.00 1.00 C ATOM 303 CG GLU A 19 12.608 6.559 -7.189 1.00 1.00 C ATOM 304 CD GLU A 19 13.660 5.891 -8.062 1.00 1.00 C ATOM 305 OE1 GLU A 19 14.437 5.047 -7.542 1.00 1.00 O ATOM 306 OE2 GLU A 19 13.745 6.213 -9.277 1.00 1.00 O ATOM 0 H GLU A 19 9.784 4.277 -5.646 1.00 1.00 H new ATOM 0 HA GLU A 19 11.098 6.592 -4.813 1.00 1.00 H new ATOM 0 HB2 GLU A 19 12.070 4.736 -6.192 1.00 1.00 H new ATOM 0 HB3 GLU A 19 11.007 5.168 -7.516 1.00 1.00 H new ATOM 0 HG2 GLU A 19 12.111 7.343 -7.761 1.00 1.00 H new ATOM 0 HG3 GLU A 19 13.097 7.043 -6.343 1.00 1.00 H new ATOM 313 N ARG A 20 8.863 7.047 -7.174 1.00 1.00 N ATOM 314 CA ARG A 20 8.129 8.040 -7.895 1.00 1.00 C ATOM 315 C ARG A 20 7.357 8.946 -6.999 1.00 1.00 C ATOM 316 O ARG A 20 7.477 10.166 -7.104 1.00 1.00 O ATOM 317 CB ARG A 20 7.213 7.432 -8.970 1.00 1.00 C ATOM 318 CG ARG A 20 6.774 8.409 -10.064 1.00 1.00 C ATOM 319 CD ARG A 20 7.807 8.622 -11.172 1.00 1.00 C ATOM 320 NE ARG A 20 7.358 9.779 -11.994 1.00 1.00 N ATOM 321 CZ ARG A 20 6.710 9.724 -13.195 1.00 1.00 C ATOM 322 NH1 ARG A 20 6.583 8.583 -13.934 1.00 1.00 N ATOM 323 NH2 ARG A 20 6.221 10.892 -13.705 1.00 1.00 N ATOM 0 H ARG A 20 8.575 6.094 -7.395 1.00 1.00 H new ATOM 0 HA ARG A 20 8.881 8.643 -8.404 1.00 1.00 H new ATOM 0 HB2 ARG A 20 7.730 6.594 -9.437 1.00 1.00 H new ATOM 0 HB3 ARG A 20 6.324 7.028 -8.485 1.00 1.00 H new ATOM 0 HG2 ARG A 20 5.850 8.043 -10.511 1.00 1.00 H new ATOM 0 HG3 ARG A 20 6.547 9.371 -9.605 1.00 1.00 H new ATOM 0 HD2 ARG A 20 8.791 8.815 -10.745 1.00 1.00 H new ATOM 0 HD3 ARG A 20 7.897 7.727 -11.788 1.00 1.00 H new ATOM 0 HE ARG A 20 7.554 10.708 -11.622 1.00 1.00 H new ATOM 0 HH11 ARG A 20 6.984 7.709 -13.595 1.00 1.00 H new ATOM 0 HH12 ARG A 20 6.087 8.605 -14.825 1.00 1.00 H new ATOM 0 HH21 ARG A 20 6.346 11.764 -13.192 1.00 1.00 H new ATOM 0 HH22 ARG A 20 5.731 10.892 -14.600 1.00 1.00 H new ATOM 337 N LEU A 21 6.576 8.392 -6.053 1.00 1.00 N ATOM 338 CA LEU A 21 5.745 9.131 -5.154 1.00 1.00 C ATOM 339 C LEU A 21 6.503 9.858 -4.097 1.00 1.00 C ATOM 340 O LEU A 21 6.070 10.925 -3.665 1.00 1.00 O ATOM 341 CB LEU A 21 4.658 8.251 -4.514 1.00 1.00 C ATOM 342 CG LEU A 21 3.391 8.073 -5.368 1.00 1.00 C ATOM 343 CD1 LEU A 21 3.623 7.391 -6.727 1.00 1.00 C ATOM 344 CD2 LEU A 21 2.325 7.297 -4.576 1.00 1.00 C ATOM 0 H LEU A 21 6.522 7.384 -5.909 1.00 1.00 H new ATOM 0 HA LEU A 21 5.264 9.885 -5.777 1.00 1.00 H new ATOM 0 HB2 LEU A 21 5.081 7.268 -4.306 1.00 1.00 H new ATOM 0 HB3 LEU A 21 4.376 8.686 -3.555 1.00 1.00 H new ATOM 0 HG LEU A 21 3.049 9.083 -5.594 1.00 1.00 H new ATOM 0 HD11 LEU A 21 2.675 7.308 -7.259 1.00 1.00 H new ATOM 0 HD12 LEU A 21 4.320 7.985 -7.318 1.00 1.00 H new ATOM 0 HD13 LEU A 21 4.038 6.396 -6.568 1.00 1.00 H new ATOM 0 HD21 LEU A 21 1.432 7.176 -5.189 1.00 1.00 H new ATOM 0 HD22 LEU A 21 2.715 6.316 -4.306 1.00 1.00 H new ATOM 0 HD23 LEU A 21 2.071 7.848 -3.671 1.00 1.00 H new ATOM 356 N ASP A 22 7.671 9.366 -3.647 1.00 1.00 N ATOM 357 CA ASP A 22 8.527 10.103 -2.772 1.00 1.00 C ATOM 358 C ASP A 22 9.118 11.316 -3.402 1.00 1.00 C ATOM 359 O ASP A 22 8.997 12.420 -2.873 1.00 1.00 O ATOM 360 CB ASP A 22 9.604 9.171 -2.190 1.00 1.00 C ATOM 361 CG ASP A 22 10.269 9.720 -0.935 1.00 1.00 C ATOM 362 OD1 ASP A 22 11.036 10.714 -1.020 1.00 1.00 O ATOM 363 OD2 ASP A 22 10.072 9.119 0.155 1.00 1.00 O ATOM 0 H ASP A 22 8.026 8.442 -3.895 1.00 1.00 H new ATOM 0 HA ASP A 22 7.910 10.483 -1.958 1.00 1.00 H new ATOM 0 HB2 ASP A 22 9.152 8.206 -1.960 1.00 1.00 H new ATOM 0 HB3 ASP A 22 10.367 8.993 -2.948 1.00 1.00 H new ATOM 368 N ASP A 23 9.754 11.198 -4.582 1.00 1.00 N ATOM 369 CA ASP A 23 10.413 12.291 -5.225 1.00 1.00 C ATOM 370 C ASP A 23 9.478 13.324 -5.753 1.00 1.00 C ATOM 371 O ASP A 23 9.832 14.496 -5.878 1.00 1.00 O ATOM 372 CB ASP A 23 11.365 11.748 -6.304 1.00 1.00 C ATOM 373 CG ASP A 23 12.590 12.622 -6.523 1.00 1.00 C ATOM 374 OD1 ASP A 23 12.512 13.649 -7.249 1.00 1.00 O ATOM 375 OD2 ASP A 23 13.672 12.286 -5.969 1.00 1.00 O ATOM 0 H ASP A 23 9.811 10.322 -5.101 1.00 1.00 H new ATOM 0 HA ASP A 23 10.997 12.819 -4.471 1.00 1.00 H new ATOM 0 HB2 ASP A 23 11.688 10.746 -6.022 1.00 1.00 H new ATOM 0 HB3 ASP A 23 10.821 11.655 -7.244 1.00 1.00 H new ATOM 380 N TRP A 24 8.217 12.953 -6.042 1.00 1.00 N ATOM 381 CA TRP A 24 7.145 13.766 -6.524 1.00 1.00 C ATOM 382 C TRP A 24 6.933 15.077 -5.847 1.00 1.00 C ATOM 383 O TRP A 24 6.875 16.111 -6.512 1.00 1.00 O ATOM 384 CB TRP A 24 5.849 12.945 -6.428 1.00 1.00 C ATOM 385 CG TRP A 24 4.594 13.475 -7.078 1.00 1.00 C ATOM 386 CD1 TRP A 24 3.421 13.847 -6.486 1.00 1.00 C ATOM 387 CD2 TRP A 24 4.361 13.509 -8.497 1.00 1.00 C ATOM 388 NE1 TRP A 24 2.472 14.100 -7.440 1.00 1.00 N ATOM 389 CE2 TRP A 24 3.033 13.908 -8.681 1.00 1.00 C ATOM 390 CE3 TRP A 24 5.160 13.208 -9.566 1.00 1.00 C ATOM 391 CZ2 TRP A 24 2.501 14.018 -9.937 1.00 1.00 C ATOM 392 CZ3 TRP A 24 4.614 13.315 -10.822 1.00 1.00 C ATOM 393 CH2 TRP A 24 3.310 13.711 -11.006 1.00 1.00 C ATOM 0 H TRP A 24 7.922 11.984 -5.925 1.00 1.00 H new ATOM 0 HA TRP A 24 7.426 14.033 -7.543 1.00 1.00 H new ATOM 0 HB2 TRP A 24 6.050 11.962 -6.855 1.00 1.00 H new ATOM 0 HB3 TRP A 24 5.633 12.795 -5.370 1.00 1.00 H new ATOM 0 HD1 TRP A 24 3.265 13.930 -5.421 1.00 1.00 H new ATOM 0 HE1 TRP A 24 1.509 14.384 -7.260 1.00 1.00 H new ATOM 0 HE3 TRP A 24 6.185 12.897 -9.427 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 1.479 14.336 -10.084 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 5.222 13.083 -11.684 1.00 1.00 H new ATOM 0 HH2 TRP A 24 2.914 13.782 -12.008 1.00 1.00 H new ATOM 404 N ASP A 25 6.784 15.057 -4.510 1.00 1.00 N ATOM 405 CA ASP A 25 6.481 16.166 -3.661 1.00 1.00 C ATOM 406 C ASP A 25 5.119 16.721 -3.897 1.00 1.00 C ATOM 407 O ASP A 25 4.390 16.308 -4.798 1.00 1.00 O ATOM 408 CB ASP A 25 7.633 17.184 -3.686 1.00 1.00 C ATOM 409 CG ASP A 25 7.725 18.142 -2.507 1.00 1.00 C ATOM 410 OD1 ASP A 25 6.977 18.002 -1.503 1.00 1.00 O ATOM 411 OD2 ASP A 25 8.538 19.099 -2.611 1.00 1.00 O ATOM 0 H ASP A 25 6.884 14.191 -3.981 1.00 1.00 H new ATOM 0 HA ASP A 25 6.418 15.819 -2.630 1.00 1.00 H new ATOM 0 HB2 ASP A 25 8.572 16.634 -3.751 1.00 1.00 H new ATOM 0 HB3 ASP A 25 7.545 17.774 -4.598 1.00 1.00 H new ATOM 416 N GLY A 26 4.661 17.683 -3.075 1.00 1.00 N ATOM 417 CA GLY A 26 3.314 18.156 -3.137 1.00 1.00 C ATOM 418 C GLY A 26 3.106 19.398 -2.338 1.00 1.00 C ATOM 419 O GLY A 26 4.018 20.197 -2.129 1.00 1.00 O ATOM 0 H GLY A 26 5.231 18.136 -2.361 1.00 1.00 H new ATOM 0 HA2 GLY A 26 3.048 18.348 -4.176 1.00 1.00 H new ATOM 0 HA3 GLY A 26 2.642 17.378 -2.774 1.00 1.00 H new ATOM 423 N ASP A 27 1.873 19.605 -1.844 1.00 1.00 N ATOM 424 CA ASP A 27 1.583 20.509 -0.774 1.00 1.00 C ATOM 425 C ASP A 27 1.847 19.795 0.506 1.00 1.00 C ATOM 426 O ASP A 27 2.536 20.281 1.402 1.00 1.00 O ATOM 427 CB ASP A 27 0.117 20.968 -0.866 1.00 1.00 C ATOM 428 CG ASP A 27 -0.188 22.068 0.140 1.00 1.00 C ATOM 429 OD1 ASP A 27 0.518 23.111 0.158 1.00 1.00 O ATOM 430 OD2 ASP A 27 -1.145 21.903 0.946 1.00 1.00 O ATOM 0 H ASP A 27 1.047 19.126 -2.202 1.00 1.00 H new ATOM 0 HA ASP A 27 2.210 21.399 -0.831 1.00 1.00 H new ATOM 0 HB2 ASP A 27 -0.090 21.328 -1.874 1.00 1.00 H new ATOM 0 HB3 ASP A 27 -0.543 20.119 -0.689 1.00 1.00 H new ATOM 435 N SER A 28 1.331 18.556 0.604 1.00 1.00 N ATOM 436 CA SER A 28 1.575 17.654 1.685 1.00 1.00 C ATOM 437 C SER A 28 2.802 16.844 1.438 1.00 1.00 C ATOM 438 O SER A 28 3.383 16.845 0.354 1.00 1.00 O ATOM 439 CB SER A 28 0.351 16.784 2.017 1.00 1.00 C ATOM 440 OG SER A 28 0.047 15.831 1.009 1.00 1.00 O ATOM 0 H SER A 28 0.713 18.165 -0.107 1.00 1.00 H new ATOM 0 HA SER A 28 1.756 18.256 2.575 1.00 1.00 H new ATOM 0 HB2 SER A 28 0.529 16.263 2.958 1.00 1.00 H new ATOM 0 HB3 SER A 28 -0.514 17.430 2.169 1.00 1.00 H new ATOM 0 HG SER A 28 -0.312 16.291 0.222 1.00 1.00 H new ATOM 446 N ASP A 29 3.289 16.145 2.479 1.00 1.00 N ATOM 447 CA ASP A 29 4.530 15.435 2.456 1.00 1.00 C ATOM 448 C ASP A 29 4.267 13.970 2.472 1.00 1.00 C ATOM 449 O ASP A 29 3.114 13.541 2.473 1.00 1.00 O ATOM 450 CB ASP A 29 5.368 15.968 3.631 1.00 1.00 C ATOM 451 CG ASP A 29 6.860 15.873 3.340 1.00 1.00 C ATOM 452 OD1 ASP A 29 7.420 14.752 3.453 1.00 1.00 O ATOM 453 OD2 ASP A 29 7.476 16.918 2.998 1.00 1.00 O ATOM 0 H ASP A 29 2.799 16.072 3.371 1.00 1.00 H new ATOM 0 HA ASP A 29 5.106 15.598 1.545 1.00 1.00 H new ATOM 0 HB2 ASP A 29 5.100 17.006 3.829 1.00 1.00 H new ATOM 0 HB3 ASP A 29 5.135 15.401 4.532 1.00 1.00 H new ATOM 458 N ILE A 30 5.316 13.128 2.438 1.00 1.00 N ATOM 459 CA ILE A 30 5.225 11.747 2.079 1.00 1.00 C ATOM 460 C ILE A 30 6.392 11.020 2.654 1.00 1.00 C ATOM 461 O ILE A 30 7.550 11.419 2.549 1.00 1.00 O ATOM 462 CB ILE A 30 5.068 11.536 0.603 1.00 1.00 C ATOM 463 CG1 ILE A 30 4.689 10.097 0.218 1.00 1.00 C ATOM 464 CG2 ILE A 30 6.260 12.097 -0.192 1.00 1.00 C ATOM 465 CD1 ILE A 30 5.848 9.147 -0.081 1.00 1.00 C ATOM 0 H ILE A 30 6.265 13.421 2.670 1.00 1.00 H new ATOM 0 HA ILE A 30 4.312 11.332 2.507 1.00 1.00 H new ATOM 0 HB ILE A 30 4.201 12.126 0.305 1.00 1.00 H new ATOM 0 HG12 ILE A 30 4.098 9.671 1.029 1.00 1.00 H new ATOM 0 HG13 ILE A 30 4.044 10.137 -0.660 1.00 1.00 H new ATOM 0 HG21 ILE A 30 6.103 11.921 -1.256 1.00 1.00 H new ATOM 0 HG22 ILE A 30 6.347 13.168 -0.010 1.00 1.00 H new ATOM 0 HG23 ILE A 30 7.176 11.599 0.126 1.00 1.00 H new ATOM 0 HD11 ILE A 30 5.455 8.164 -0.340 1.00 1.00 H new ATOM 0 HD12 ILE A 30 6.431 9.536 -0.916 1.00 1.00 H new ATOM 0 HD13 ILE A 30 6.486 9.063 0.799 1.00 1.00 H new ATOM 477 N ASP A 31 6.085 9.912 3.353 1.00 1.00 N ATOM 478 CA ASP A 31 7.000 8.927 3.838 1.00 1.00 C ATOM 479 C ASP A 31 6.509 7.559 3.512 1.00 1.00 C ATOM 480 O ASP A 31 5.597 7.038 4.152 1.00 1.00 O ATOM 481 CB ASP A 31 7.125 8.986 5.370 1.00 1.00 C ATOM 482 CG ASP A 31 7.822 10.275 5.778 1.00 1.00 C ATOM 483 OD1 ASP A 31 9.062 10.381 5.585 1.00 1.00 O ATOM 484 OD2 ASP A 31 7.140 11.185 6.324 1.00 1.00 O ATOM 0 H ASP A 31 5.120 9.690 3.597 1.00 1.00 H new ATOM 0 HA ASP A 31 7.960 9.133 3.365 1.00 1.00 H new ATOM 0 HB2 ASP A 31 6.137 8.935 5.827 1.00 1.00 H new ATOM 0 HB3 ASP A 31 7.689 8.126 5.732 1.00 1.00 H new ATOM 489 N CYS A 32 7.093 6.858 2.523 1.00 1.00 N ATOM 490 CA CYS A 32 6.762 5.480 2.335 1.00 1.00 C ATOM 491 C CYS A 32 7.591 4.611 3.218 1.00 1.00 C ATOM 492 O CYS A 32 8.776 4.866 3.429 1.00 1.00 O ATOM 493 CB CYS A 32 6.934 5.025 0.875 1.00 1.00 C ATOM 494 SG CYS A 32 6.100 3.447 0.526 1.00 1.00 S ATOM 0 H CYS A 32 7.778 7.234 1.868 1.00 1.00 H new ATOM 0 HA CYS A 32 5.709 5.380 2.598 1.00 1.00 H new ATOM 0 HB2 CYS A 32 6.540 5.794 0.211 1.00 1.00 H new ATOM 0 HB3 CYS A 32 7.997 4.926 0.653 1.00 1.00 H new ATOM 0 HG CYS A 32 5.419 3.076 1.569 1.00 1.00 H new ATOM 500 N GLU A 33 7.002 3.532 3.764 1.00 1.00 N ATOM 501 CA GLU A 33 7.672 2.594 4.607 1.00 1.00 C ATOM 502 C GLU A 33 7.758 1.271 3.926 1.00 1.00 C ATOM 503 O GLU A 33 6.780 0.856 3.309 1.00 1.00 O ATOM 504 CB GLU A 33 6.904 2.418 5.929 1.00 1.00 C ATOM 505 CG GLU A 33 7.760 2.055 7.143 1.00 1.00 C ATOM 506 CD GLU A 33 8.594 3.215 7.669 1.00 1.00 C ATOM 507 OE1 GLU A 33 9.572 3.621 6.987 1.00 1.00 O ATOM 508 OE2 GLU A 33 8.276 3.746 8.767 1.00 1.00 O ATOM 0 H GLU A 33 6.019 3.305 3.611 1.00 1.00 H new ATOM 0 HA GLU A 33 8.673 2.973 4.814 1.00 1.00 H new ATOM 0 HB2 GLU A 33 6.371 3.344 6.146 1.00 1.00 H new ATOM 0 HB3 GLU A 33 6.151 1.642 5.791 1.00 1.00 H new ATOM 0 HG2 GLU A 33 7.110 1.694 7.941 1.00 1.00 H new ATOM 0 HG3 GLU A 33 8.424 1.233 6.876 1.00 1.00 H new ATOM 515 N ILE A 34 8.905 0.570 4.002 1.00 1.00 N ATOM 516 CA ILE A 34 9.154 -0.719 3.434 1.00 1.00 C ATOM 517 C ILE A 34 9.436 -1.648 4.564 1.00 1.00 C ATOM 518 O ILE A 34 10.347 -1.484 5.373 1.00 1.00 O ATOM 519 CB ILE A 34 10.248 -0.711 2.407 1.00 1.00 C ATOM 520 CG1 ILE A 34 10.602 -2.112 1.879 1.00 1.00 C ATOM 521 CG2 ILE A 34 11.537 -0.037 2.904 1.00 1.00 C ATOM 522 CD1 ILE A 34 9.500 -2.800 1.076 1.00 1.00 C ATOM 0 H ILE A 34 9.718 0.934 4.498 1.00 1.00 H new ATOM 0 HA ILE A 34 8.277 -1.052 2.879 1.00 1.00 H new ATOM 0 HB ILE A 34 9.830 -0.124 1.589 1.00 1.00 H new ATOM 0 HG12 ILE A 34 11.491 -2.033 1.253 1.00 1.00 H new ATOM 0 HG13 ILE A 34 10.863 -2.747 2.726 1.00 1.00 H new ATOM 0 HG21 ILE A 34 12.289 -0.064 2.115 1.00 1.00 H new ATOM 0 HG22 ILE A 34 11.327 0.999 3.170 1.00 1.00 H new ATOM 0 HG23 ILE A 34 11.911 -0.568 3.780 1.00 1.00 H new ATOM 0 HD11 ILE A 34 9.846 -3.780 0.749 1.00 1.00 H new ATOM 0 HD12 ILE A 34 8.614 -2.918 1.700 1.00 1.00 H new ATOM 0 HD13 ILE A 34 9.252 -2.193 0.205 1.00 1.00 H new ATOM 534 N ASN A 35 8.597 -2.696 4.644 1.00 1.00 N ATOM 535 CA ASN A 35 8.769 -3.852 5.468 1.00 1.00 C ATOM 536 C ASN A 35 8.709 -5.064 4.602 1.00 1.00 C ATOM 537 O ASN A 35 8.621 -4.962 3.380 1.00 1.00 O ATOM 538 CB ASN A 35 7.716 -3.906 6.587 1.00 1.00 C ATOM 539 CG ASN A 35 7.958 -2.786 7.587 1.00 1.00 C ATOM 540 OD1 ASN A 35 7.153 -1.868 7.735 1.00 1.00 O ATOM 541 ND2 ASN A 35 9.091 -2.869 8.336 1.00 1.00 N ATOM 0 H ASN A 35 7.739 -2.737 4.094 1.00 1.00 H new ATOM 0 HA ASN A 35 9.740 -3.806 5.961 1.00 1.00 H new ATOM 0 HB2 ASN A 35 6.717 -3.814 6.161 1.00 1.00 H new ATOM 0 HB3 ASN A 35 7.760 -4.871 7.092 1.00 1.00 H new ATOM 0 HD21 ASN A 35 9.289 -2.159 9.041 1.00 1.00 H new ATOM 0 HD22 ASN A 35 9.742 -3.641 8.193 1.00 1.00 H new ATOM 548 N GLY A 36 8.773 -6.280 5.175 1.00 1.00 N ATOM 549 CA GLY A 36 8.911 -7.503 4.446 1.00 1.00 C ATOM 550 C GLY A 36 7.766 -7.874 3.568 1.00 1.00 C ATOM 551 O GLY A 36 6.816 -8.529 3.993 1.00 1.00 O ATOM 0 H GLY A 36 8.727 -6.416 6.185 1.00 1.00 H new ATOM 0 HA2 GLY A 36 9.808 -7.436 3.830 1.00 1.00 H new ATOM 0 HA3 GLY A 36 9.073 -8.311 5.159 1.00 1.00 H new ATOM 555 N GLY A 37 7.813 -7.445 2.293 1.00 1.00 N ATOM 556 CA GLY A 37 6.780 -7.633 1.324 1.00 1.00 C ATOM 557 C GLY A 37 5.721 -6.586 1.360 1.00 1.00 C ATOM 558 O GLY A 37 4.738 -6.672 0.626 1.00 1.00 O ATOM 0 H GLY A 37 8.617 -6.940 1.920 1.00 1.00 H new ATOM 0 HA2 GLY A 37 7.227 -7.650 0.330 1.00 1.00 H new ATOM 0 HA3 GLY A 37 6.319 -8.608 1.483 1.00 1.00 H new ATOM 562 N VAL A 38 5.872 -5.570 2.230 1.00 1.00 N ATOM 563 CA VAL A 38 4.846 -4.624 2.542 1.00 1.00 C ATOM 564 C VAL A 38 5.339 -3.239 2.298 1.00 1.00 C ATOM 565 O VAL A 38 6.354 -2.831 2.857 1.00 1.00 O ATOM 566 CB VAL A 38 4.405 -4.716 3.973 1.00 1.00 C ATOM 567 CG1 VAL A 38 3.205 -3.791 4.236 1.00 1.00 C ATOM 568 CG2 VAL A 38 4.038 -6.166 4.332 1.00 1.00 C ATOM 0 H VAL A 38 6.742 -5.402 2.735 1.00 1.00 H new ATOM 0 HA VAL A 38 3.997 -4.856 1.899 1.00 1.00 H new ATOM 0 HB VAL A 38 5.235 -4.396 4.602 1.00 1.00 H new ATOM 0 HG11 VAL A 38 2.903 -3.875 5.280 1.00 1.00 H new ATOM 0 HG12 VAL A 38 3.486 -2.760 4.021 1.00 1.00 H new ATOM 0 HG13 VAL A 38 2.374 -4.082 3.593 1.00 1.00 H new ATOM 0 HG21 VAL A 38 3.720 -6.214 5.374 1.00 1.00 H new ATOM 0 HG22 VAL A 38 3.226 -6.506 3.689 1.00 1.00 H new ATOM 0 HG23 VAL A 38 4.907 -6.808 4.188 1.00 1.00 H new ATOM 578 N LEU A 39 4.625 -2.442 1.484 1.00 1.00 N ATOM 579 CA LEU A 39 4.818 -1.027 1.415 1.00 1.00 C ATOM 580 C LEU A 39 3.570 -0.362 1.889 1.00 1.00 C ATOM 581 O LEU A 39 2.457 -0.657 1.458 1.00 1.00 O ATOM 582 CB LEU A 39 5.094 -0.533 -0.016 1.00 1.00 C ATOM 583 CG LEU A 39 6.529 -0.797 -0.501 1.00 1.00 C ATOM 584 CD1 LEU A 39 6.616 -0.724 -2.034 1.00 1.00 C ATOM 585 CD2 LEU A 39 7.562 0.197 0.055 1.00 1.00 C ATOM 0 H LEU A 39 3.897 -2.789 0.859 1.00 1.00 H new ATOM 0 HA LEU A 39 5.684 -0.784 2.031 1.00 1.00 H new ATOM 0 HB2 LEU A 39 4.396 -1.018 -0.698 1.00 1.00 H new ATOM 0 HB3 LEU A 39 4.896 0.538 -0.065 1.00 1.00 H new ATOM 0 HG LEU A 39 6.765 -1.795 -0.132 1.00 1.00 H new ATOM 0 HD11 LEU A 39 7.642 -0.915 -2.350 1.00 1.00 H new ATOM 0 HD12 LEU A 39 5.956 -1.473 -2.472 1.00 1.00 H new ATOM 0 HD13 LEU A 39 6.312 0.268 -2.369 1.00 1.00 H new ATOM 0 HD21 LEU A 39 8.551 -0.052 -0.330 1.00 1.00 H new ATOM 0 HD22 LEU A 39 7.296 1.208 -0.253 1.00 1.00 H new ATOM 0 HD23 LEU A 39 7.572 0.140 1.143 1.00 1.00 H new ATOM 597 N THR A 40 3.737 0.601 2.811 1.00 1.00 N ATOM 598 CA THR A 40 2.693 1.476 3.244 1.00 1.00 C ATOM 599 C THR A 40 3.140 2.867 2.949 1.00 1.00 C ATOM 600 O THR A 40 4.169 3.342 3.429 1.00 1.00 O ATOM 601 CB THR A 40 2.343 1.347 4.697 1.00 1.00 C ATOM 602 OG1 THR A 40 3.464 1.213 5.558 1.00 1.00 O ATOM 603 CG2 THR A 40 1.459 0.105 4.899 1.00 1.00 C ATOM 0 H THR A 40 4.630 0.777 3.271 1.00 1.00 H new ATOM 0 HA THR A 40 1.782 1.207 2.709 1.00 1.00 H new ATOM 0 HB THR A 40 1.834 2.274 4.959 1.00 1.00 H new ATOM 0 HG1 THR A 40 3.157 1.136 6.485 1.00 1.00 H new ATOM 0 HG21 THR A 40 1.203 0.008 5.954 1.00 1.00 H new ATOM 0 HG22 THR A 40 0.546 0.209 4.312 1.00 1.00 H new ATOM 0 HG23 THR A 40 2.000 -0.784 4.574 1.00 1.00 H new ATOM 611 N ILE A 41 2.373 3.579 2.106 1.00 1.00 N ATOM 612 CA ILE A 41 2.711 4.904 1.688 1.00 1.00 C ATOM 613 C ILE A 41 2.033 5.839 2.630 1.00 1.00 C ATOM 614 O ILE A 41 0.806 5.901 2.683 1.00 1.00 O ATOM 615 CB ILE A 41 2.322 5.198 0.270 1.00 1.00 C ATOM 616 CG1 ILE A 41 2.892 4.160 -0.710 1.00 1.00 C ATOM 617 CG2 ILE A 41 2.762 6.620 -0.122 1.00 1.00 C ATOM 618 CD1 ILE A 41 2.164 4.129 -2.054 1.00 1.00 C ATOM 0 H ILE A 41 1.502 3.229 1.707 1.00 1.00 H new ATOM 0 HA ILE A 41 3.794 5.022 1.712 1.00 1.00 H new ATOM 0 HB ILE A 41 1.236 5.136 0.207 1.00 1.00 H new ATOM 0 HG12 ILE A 41 3.947 4.374 -0.882 1.00 1.00 H new ATOM 0 HG13 ILE A 41 2.838 3.172 -0.253 1.00 1.00 H new ATOM 0 HG21 ILE A 41 2.473 6.819 -1.154 1.00 1.00 H new ATOM 0 HG22 ILE A 41 2.281 7.344 0.536 1.00 1.00 H new ATOM 0 HG23 ILE A 41 3.844 6.705 -0.026 1.00 1.00 H new ATOM 0 HD11 ILE A 41 2.618 3.374 -2.696 1.00 1.00 H new ATOM 0 HD12 ILE A 41 1.114 3.885 -1.893 1.00 1.00 H new ATOM 0 HD13 ILE A 41 2.240 5.106 -2.532 1.00 1.00 H new ATOM 630 N THR A 42 2.823 6.568 3.438 1.00 1.00 N ATOM 631 CA THR A 42 2.293 7.437 4.442 1.00 1.00 C ATOM 632 C THR A 42 2.306 8.830 3.914 1.00 1.00 C ATOM 633 O THR A 42 3.341 9.313 3.457 1.00 1.00 O ATOM 634 CB THR A 42 3.032 7.483 5.747 1.00 1.00 C ATOM 635 OG1 THR A 42 3.684 6.254 6.029 1.00 1.00 O ATOM 636 CG2 THR A 42 2.040 7.760 6.889 1.00 1.00 C ATOM 0 H THR A 42 3.842 6.554 3.394 1.00 1.00 H new ATOM 0 HA THR A 42 1.304 7.031 4.654 1.00 1.00 H new ATOM 0 HB THR A 42 3.779 8.272 5.668 1.00 1.00 H new ATOM 0 HG1 THR A 42 4.494 6.180 5.482 1.00 1.00 H new ATOM 0 HG21 THR A 42 2.577 7.793 7.837 1.00 1.00 H new ATOM 0 HG22 THR A 42 1.546 8.716 6.718 1.00 1.00 H new ATOM 0 HG23 THR A 42 1.293 6.967 6.923 1.00 1.00 H new ATOM 644 N PHE A 43 1.169 9.548 3.966 1.00 1.00 N ATOM 645 CA PHE A 43 1.120 10.943 3.654 1.00 1.00 C ATOM 646 C PHE A 43 0.723 11.664 4.897 1.00 1.00 C ATOM 647 O PHE A 43 0.053 11.116 5.772 1.00 1.00 O ATOM 648 CB PHE A 43 0.258 11.289 2.429 1.00 1.00 C ATOM 649 CG PHE A 43 -1.020 10.527 2.368 1.00 1.00 C ATOM 650 CD1 PHE A 43 -1.036 9.256 1.844 1.00 1.00 C ATOM 651 CD2 PHE A 43 -2.192 11.087 2.817 1.00 1.00 C ATOM 652 CE1 PHE A 43 -2.205 8.534 1.798 1.00 1.00 C ATOM 653 CE2 PHE A 43 -3.370 10.380 2.752 1.00 1.00 C ATOM 654 CZ PHE A 43 -3.374 9.100 2.251 1.00 1.00 C ATOM 0 H PHE A 43 0.267 9.152 4.230 1.00 1.00 H new ATOM 0 HA PHE A 43 2.108 11.275 3.336 1.00 1.00 H new ATOM 0 HB2 PHE A 43 0.035 12.356 2.441 1.00 1.00 H new ATOM 0 HB3 PHE A 43 0.832 11.093 1.523 1.00 1.00 H new ATOM 0 HD1 PHE A 43 -0.123 8.821 1.465 1.00 1.00 H new ATOM 0 HD2 PHE A 43 -2.188 12.088 3.223 1.00 1.00 H new ATOM 0 HE1 PHE A 43 -2.206 7.527 1.408 1.00 1.00 H new ATOM 0 HE2 PHE A 43 -4.290 10.830 3.094 1.00 1.00 H new ATOM 0 HZ PHE A 43 -4.296 8.538 2.213 1.00 1.00 H new ATOM 664 N GLU A 44 1.159 12.926 5.058 1.00 1.00 N ATOM 665 CA GLU A 44 1.335 13.537 6.339 1.00 1.00 C ATOM 666 C GLU A 44 0.092 13.873 7.087 1.00 1.00 C ATOM 667 O GLU A 44 0.088 14.071 8.301 1.00 1.00 O ATOM 668 CB GLU A 44 2.240 14.750 6.066 1.00 1.00 C ATOM 669 CG GLU A 44 1.570 16.074 5.696 1.00 1.00 C ATOM 670 CD GLU A 44 1.517 17.059 6.854 1.00 1.00 C ATOM 671 OE1 GLU A 44 2.558 17.243 7.541 1.00 1.00 O ATOM 672 OE2 GLU A 44 0.461 17.720 7.042 1.00 1.00 O ATOM 0 H GLU A 44 1.395 13.538 4.277 1.00 1.00 H new ATOM 0 HA GLU A 44 1.783 12.825 7.032 1.00 1.00 H new ATOM 0 HB2 GLU A 44 2.848 14.920 6.954 1.00 1.00 H new ATOM 0 HB3 GLU A 44 2.922 14.483 5.259 1.00 1.00 H new ATOM 0 HG2 GLU A 44 2.110 16.528 4.865 1.00 1.00 H new ATOM 0 HG3 GLU A 44 0.556 15.877 5.348 1.00 1.00 H new ATOM 679 N ASN A 45 -1.040 13.824 6.361 1.00 1.00 N ATOM 680 CA ASN A 45 -2.383 13.957 6.834 1.00 1.00 C ATOM 681 C ASN A 45 -2.797 12.853 7.745 1.00 1.00 C ATOM 682 O ASN A 45 -3.762 12.978 8.498 1.00 1.00 O ATOM 683 CB ASN A 45 -3.306 13.976 5.603 1.00 1.00 C ATOM 684 CG ASN A 45 -4.612 14.730 5.812 1.00 1.00 C ATOM 685 OD1 ASN A 45 -4.845 15.427 6.798 1.00 1.00 O ATOM 686 ND2 ASN A 45 -5.521 14.600 4.809 1.00 1.00 N ATOM 0 H ASN A 45 -1.010 13.678 5.352 1.00 1.00 H new ATOM 0 HA ASN A 45 -2.452 14.877 7.415 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -2.769 14.426 4.768 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -3.534 12.949 5.319 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -6.416 15.086 4.866 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -5.308 14.017 4.000 1.00 1.00 H new ATOM 693 N GLY A 46 -2.100 11.703 7.718 1.00 1.00 N ATOM 694 CA GLY A 46 -2.268 10.656 8.676 1.00 1.00 C ATOM 695 C GLY A 46 -3.073 9.503 8.185 1.00 1.00 C ATOM 696 O GLY A 46 -3.490 8.652 8.970 1.00 1.00 O ATOM 0 H GLY A 46 -1.398 11.496 7.008 1.00 1.00 H new ATOM 0 HA2 GLY A 46 -1.285 10.295 8.980 1.00 1.00 H new ATOM 0 HA3 GLY A 46 -2.746 11.066 9.566 1.00 1.00 H new ATOM 700 N SER A 47 -3.297 9.435 6.860 1.00 1.00 N ATOM 701 CA SER A 47 -3.905 8.323 6.198 1.00 1.00 C ATOM 702 C SER A 47 -2.889 7.657 5.333 1.00 1.00 C ATOM 703 O SER A 47 -1.751 8.112 5.235 1.00 1.00 O ATOM 704 CB SER A 47 -5.153 8.726 5.395 1.00 1.00 C ATOM 705 OG SER A 47 -6.290 8.750 6.247 1.00 1.00 O ATOM 0 H SER A 47 -3.043 10.189 6.222 1.00 1.00 H new ATOM 0 HA SER A 47 -4.254 7.621 6.955 1.00 1.00 H new ATOM 0 HB2 SER A 47 -5.005 9.707 4.944 1.00 1.00 H new ATOM 0 HB3 SER A 47 -5.314 8.022 4.579 1.00 1.00 H new ATOM 0 HG SER A 47 -7.045 9.159 5.774 1.00 1.00 H new ATOM 711 N LYS A 48 -3.231 6.512 4.717 1.00 1.00 N ATOM 712 CA LYS A 48 -2.217 5.630 4.225 1.00 1.00 C ATOM 713 C LYS A 48 -2.692 4.733 3.135 1.00 1.00 C ATOM 714 O LYS A 48 -3.855 4.333 3.086 1.00 1.00 O ATOM 715 CB LYS A 48 -1.618 4.802 5.374 1.00 1.00 C ATOM 716 CG LYS A 48 -2.653 4.170 6.307 1.00 1.00 C ATOM 717 CD LYS A 48 -2.056 3.300 7.414 1.00 1.00 C ATOM 718 CE LYS A 48 -3.066 2.431 8.165 1.00 1.00 C ATOM 719 NZ LYS A 48 -4.075 3.237 8.889 1.00 1.00 N ATOM 0 H LYS A 48 -4.189 6.200 4.561 1.00 1.00 H new ATOM 0 HA LYS A 48 -1.445 6.265 3.790 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -0.998 4.011 4.951 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -0.960 5.442 5.962 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -3.245 4.963 6.764 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -3.337 3.563 5.714 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -1.296 2.653 6.977 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -1.550 3.946 8.131 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -3.570 1.772 7.459 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -2.537 1.794 8.874 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -4.737 2.604 9.382 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -3.599 3.848 9.583 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -4.600 3.826 8.212 1.00 1.00 H new ATOM 733 N ILE A 49 -1.781 4.373 2.214 1.00 1.00 N ATOM 734 CA ILE A 49 -1.971 3.388 1.195 1.00 1.00 C ATOM 735 C ILE A 49 -1.371 2.126 1.714 1.00 1.00 C ATOM 736 O ILE A 49 -0.300 2.171 2.316 1.00 1.00 O ATOM 737 CB ILE A 49 -1.258 3.707 -0.086 1.00 1.00 C ATOM 738 CG1 ILE A 49 -1.276 5.193 -0.480 1.00 1.00 C ATOM 739 CG2 ILE A 49 -1.755 2.817 -1.236 1.00 1.00 C ATOM 740 CD1 ILE A 49 -2.634 5.825 -0.780 1.00 1.00 C ATOM 0 H ILE A 49 -0.854 4.797 2.179 1.00 1.00 H new ATOM 0 HA ILE A 49 -3.037 3.330 0.977 1.00 1.00 H new ATOM 0 HB ILE A 49 -0.210 3.481 0.109 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -0.811 5.761 0.326 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -0.646 5.315 -1.361 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -1.220 3.072 -2.151 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -1.575 1.770 -0.990 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -2.823 2.977 -1.384 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -2.497 6.874 -1.043 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -3.104 5.300 -1.612 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -3.272 5.752 0.101 1.00 1.00 H new ATOM 752 N ILE A 50 -2.010 0.958 1.521 1.00 1.00 N ATOM 753 CA ILE A 50 -1.563 -0.293 2.049 1.00 1.00 C ATOM 754 C ILE A 50 -1.362 -1.275 0.947 1.00 1.00 C ATOM 755 O ILE A 50 -2.315 -1.679 0.281 1.00 1.00 O ATOM 756 CB ILE A 50 -2.557 -0.936 2.971 1.00 1.00 C ATOM 757 CG1 ILE A 50 -3.361 0.061 3.823 1.00 1.00 C ATOM 758 CG2 ILE A 50 -1.882 -2.012 3.838 1.00 1.00 C ATOM 759 CD1 ILE A 50 -2.537 0.802 4.876 1.00 1.00 C ATOM 0 H ILE A 50 -2.870 0.883 0.977 1.00 1.00 H new ATOM 0 HA ILE A 50 -0.645 -0.061 2.589 1.00 1.00 H new ATOM 0 HB ILE A 50 -3.295 -1.417 2.329 1.00 1.00 H new ATOM 0 HG12 ILE A 50 -3.825 0.793 3.162 1.00 1.00 H new ATOM 0 HG13 ILE A 50 -4.168 -0.475 4.322 1.00 1.00 H new ATOM 0 HG21 ILE A 50 -2.622 -2.464 4.498 1.00 1.00 H new ATOM 0 HG22 ILE A 50 -1.452 -2.780 3.195 1.00 1.00 H new ATOM 0 HG23 ILE A 50 -1.093 -1.555 4.436 1.00 1.00 H new ATOM 0 HD11 ILE A 50 -3.183 1.483 5.430 1.00 1.00 H new ATOM 0 HD12 ILE A 50 -2.094 0.082 5.564 1.00 1.00 H new ATOM 0 HD13 ILE A 50 -1.746 1.370 4.386 1.00 1.00 H new ATOM 771 N ILE A 51 -0.121 -1.737 0.714 1.00 1.00 N ATOM 772 CA ILE A 51 0.165 -2.728 -0.275 1.00 1.00 C ATOM 773 C ILE A 51 0.978 -3.833 0.309 1.00 1.00 C ATOM 774 O ILE A 51 2.037 -3.636 0.901 1.00 1.00 O ATOM 775 CB ILE A 51 0.821 -2.190 -1.511 1.00 1.00 C ATOM 776 CG1 ILE A 51 0.116 -0.877 -1.886 1.00 1.00 C ATOM 777 CG2 ILE A 51 0.714 -3.254 -2.616 1.00 1.00 C ATOM 778 CD1 ILE A 51 0.290 -0.441 -3.341 1.00 1.00 C ATOM 0 H ILE A 51 0.701 -1.415 1.224 1.00 1.00 H new ATOM 0 HA ILE A 51 -0.803 -3.113 -0.596 1.00 1.00 H new ATOM 0 HB ILE A 51 1.879 -1.975 -1.360 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -0.949 -0.982 -1.679 1.00 1.00 H new ATOM 0 HG13 ILE A 51 0.489 -0.084 -1.238 1.00 1.00 H new ATOM 0 HG21 ILE A 51 1.186 -2.883 -3.526 1.00 1.00 H new ATOM 0 HG22 ILE A 51 1.216 -4.166 -2.293 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -0.336 -3.469 -2.814 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -0.244 0.495 -3.507 1.00 1.00 H new ATOM 0 HD12 ILE A 51 1.349 -0.297 -3.554 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -0.111 -1.209 -4.002 1.00 1.00 H new ATOM 790 N ASN A 52 0.490 -5.076 0.147 1.00 1.00 N ATOM 791 CA ASN A 52 1.146 -6.271 0.575 1.00 1.00 C ATOM 792 C ASN A 52 0.736 -7.386 -0.324 1.00 1.00 C ATOM 793 O ASN A 52 -0.190 -7.291 -1.130 1.00 1.00 O ATOM 794 CB ASN A 52 0.951 -6.613 2.061 1.00 1.00 C ATOM 795 CG ASN A 52 -0.501 -6.698 2.510 1.00 1.00 C ATOM 796 OD1 ASN A 52 -1.237 -7.612 2.143 1.00 1.00 O ATOM 797 ND2 ASN A 52 -0.928 -5.746 3.382 1.00 1.00 N ATOM 0 H ASN A 52 -0.407 -5.255 -0.305 1.00 1.00 H new ATOM 0 HA ASN A 52 2.220 -6.103 0.496 1.00 1.00 H new ATOM 0 HB2 ASN A 52 1.437 -7.567 2.267 1.00 1.00 H new ATOM 0 HB3 ASN A 52 1.459 -5.860 2.663 1.00 1.00 H new ATOM 0 HD21 ASN A 52 -1.880 -5.780 3.748 1.00 1.00 H new ATOM 0 HD22 ASN A 52 -0.297 -4.998 3.670 1.00 1.00 H new ATOM 804 N ARG A 53 1.503 -8.488 -0.231 1.00 1.00 N ATOM 805 CA ARG A 53 1.392 -9.620 -1.099 1.00 1.00 C ATOM 806 C ARG A 53 1.762 -10.849 -0.339 1.00 1.00 C ATOM 807 O ARG A 53 2.545 -10.810 0.608 1.00 1.00 O ATOM 808 CB ARG A 53 2.375 -9.357 -2.251 1.00 1.00 C ATOM 809 CG ARG A 53 3.809 -9.018 -1.840 1.00 1.00 C ATOM 810 CD ARG A 53 4.798 -9.039 -3.007 1.00 1.00 C ATOM 811 NE ARG A 53 6.133 -8.574 -2.535 1.00 1.00 N ATOM 812 CZ ARG A 53 7.121 -9.436 -2.156 1.00 1.00 C ATOM 813 NH1 ARG A 53 6.883 -10.706 -1.717 1.00 1.00 N ATOM 814 NH2 ARG A 53 8.431 -9.056 -2.228 1.00 1.00 N ATOM 0 H ARG A 53 2.229 -8.594 0.477 1.00 1.00 H new ATOM 0 HA ARG A 53 0.382 -9.765 -1.483 1.00 1.00 H new ATOM 0 HB2 ARG A 53 2.400 -10.239 -2.891 1.00 1.00 H new ATOM 0 HB3 ARG A 53 1.987 -8.536 -2.854 1.00 1.00 H new ATOM 0 HG2 ARG A 53 3.823 -8.030 -1.380 1.00 1.00 H new ATOM 0 HG3 ARG A 53 4.139 -9.728 -1.081 1.00 1.00 H new ATOM 0 HD2 ARG A 53 4.875 -10.047 -3.414 1.00 1.00 H new ATOM 0 HD3 ARG A 53 4.441 -8.397 -3.812 1.00 1.00 H new ATOM 0 HE ARG A 53 6.316 -7.571 -2.494 1.00 1.00 H new ATOM 0 HH11 ARG A 53 5.926 -11.055 -1.659 1.00 1.00 H new ATOM 0 HH12 ARG A 53 7.662 -11.307 -1.447 1.00 1.00 H new ATOM 0 HH21 ARG A 53 8.674 -8.125 -2.566 1.00 1.00 H new ATOM 0 HH22 ARG A 53 9.166 -9.703 -1.944 1.00 1.00 H new ATOM 828 N GLN A 54 1.207 -12.005 -0.742 1.00 1.00 N ATOM 829 CA GLN A 54 1.586 -13.289 -0.241 1.00 1.00 C ATOM 830 C GLN A 54 2.151 -14.055 -1.387 1.00 1.00 C ATOM 831 O GLN A 54 1.431 -14.445 -2.305 1.00 1.00 O ATOM 832 CB GLN A 54 0.317 -13.972 0.298 1.00 1.00 C ATOM 833 CG GLN A 54 -0.137 -13.453 1.663 1.00 1.00 C ATOM 834 CD GLN A 54 0.863 -13.829 2.747 1.00 1.00 C ATOM 835 OE1 GLN A 54 1.032 -15.005 3.064 1.00 1.00 O ATOM 836 NE2 GLN A 54 1.550 -12.813 3.336 1.00 1.00 N ATOM 0 H GLN A 54 0.467 -12.047 -1.443 1.00 1.00 H new ATOM 0 HA GLN A 54 2.324 -13.227 0.558 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -0.491 -13.832 -0.420 1.00 1.00 H new ATOM 0 HB3 GLN A 54 0.497 -15.045 0.370 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -0.249 -12.369 1.626 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -1.116 -13.866 1.906 1.00 1.00 H new ATOM 0 HE21 GLN A 54 1.383 -11.849 3.047 1.00 1.00 H new ATOM 0 HE22 GLN A 54 2.232 -13.015 4.067 1.00 1.00 H new ATOM 845 N GLU A 55 3.479 -14.264 -1.403 1.00 1.00 N ATOM 846 CA GLU A 55 4.195 -14.842 -2.498 1.00 1.00 C ATOM 847 C GLU A 55 3.775 -16.211 -2.906 1.00 1.00 C ATOM 848 O GLU A 55 3.649 -16.403 -4.116 1.00 1.00 O ATOM 849 CB GLU A 55 5.719 -14.698 -2.338 1.00 1.00 C ATOM 850 CG GLU A 55 6.482 -14.714 -3.664 1.00 1.00 C ATOM 851 CD GLU A 55 7.992 -14.683 -3.473 1.00 1.00 C ATOM 852 OE1 GLU A 55 8.577 -13.582 -3.296 1.00 1.00 O ATOM 853 OE2 GLU A 55 8.623 -15.773 -3.517 1.00 1.00 O ATOM 0 H GLU A 55 4.081 -14.019 -0.617 1.00 1.00 H new ATOM 0 HA GLU A 55 3.897 -14.236 -3.354 1.00 1.00 H new ATOM 0 HB2 GLU A 55 5.934 -13.765 -1.817 1.00 1.00 H new ATOM 0 HB3 GLU A 55 6.087 -15.507 -1.708 1.00 1.00 H new ATOM 0 HG2 GLU A 55 6.209 -15.608 -4.225 1.00 1.00 H new ATOM 0 HG3 GLU A 55 6.178 -13.856 -4.264 1.00 1.00 H new ATOM 860 N PRO A 56 3.473 -17.191 -2.107 1.00 1.00 N ATOM 861 CA PRO A 56 3.043 -18.461 -2.613 1.00 1.00 C ATOM 862 C PRO A 56 1.705 -18.532 -3.266 1.00 1.00 C ATOM 863 O PRO A 56 1.460 -19.526 -3.948 1.00 1.00 O ATOM 864 CB PRO A 56 3.046 -19.386 -1.398 1.00 1.00 C ATOM 865 CG PRO A 56 4.144 -18.792 -0.500 1.00 1.00 C ATOM 866 CD PRO A 56 3.928 -17.287 -0.728 1.00 1.00 C ATOM 0 HA PRO A 56 3.722 -18.726 -3.423 1.00 1.00 H new ATOM 0 HB2 PRO A 56 2.078 -19.394 -0.897 1.00 1.00 H new ATOM 0 HB3 PRO A 56 3.269 -20.416 -1.678 1.00 1.00 H new ATOM 0 HG2 PRO A 56 4.018 -19.073 0.546 1.00 1.00 H new ATOM 0 HG3 PRO A 56 5.141 -19.115 -0.799 1.00 1.00 H new ATOM 0 HD2 PRO A 56 3.189 -16.883 -0.037 1.00 1.00 H new ATOM 0 HD3 PRO A 56 4.849 -16.726 -0.574 1.00 1.00 H new ATOM 874 N LEU A 57 0.773 -17.581 -3.072 1.00 1.00 N ATOM 875 CA LEU A 57 -0.569 -17.748 -3.539 1.00 1.00 C ATOM 876 C LEU A 57 -0.904 -17.128 -4.850 1.00 1.00 C ATOM 877 O LEU A 57 -1.929 -17.478 -5.436 1.00 1.00 O ATOM 878 CB LEU A 57 -1.679 -17.558 -2.493 1.00 1.00 C ATOM 879 CG LEU A 57 -1.616 -16.226 -1.726 1.00 1.00 C ATOM 880 CD1 LEU A 57 -2.124 -15.018 -2.531 1.00 1.00 C ATOM 881 CD2 LEU A 57 -2.371 -16.337 -0.390 1.00 1.00 C ATOM 0 H LEU A 57 0.948 -16.698 -2.593 1.00 1.00 H new ATOM 0 HA LEU A 57 -0.554 -18.818 -3.745 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -2.646 -17.630 -2.991 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -1.629 -18.378 -1.776 1.00 1.00 H new ATOM 0 HG LEU A 57 -0.559 -16.039 -1.538 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -2.048 -14.117 -1.922 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -1.520 -14.900 -3.431 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -3.165 -15.179 -2.811 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -2.316 -15.386 0.139 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -3.415 -16.586 -0.582 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -1.918 -17.118 0.220 1.00 1.00 H new ATOM 893 N HIS A 58 -0.066 -16.220 -5.384 1.00 1.00 N ATOM 894 CA HIS A 58 -0.205 -15.640 -6.684 1.00 1.00 C ATOM 895 C HIS A 58 -1.305 -14.643 -6.802 1.00 1.00 C ATOM 896 O HIS A 58 -2.146 -14.739 -7.695 1.00 1.00 O ATOM 897 CB HIS A 58 -0.304 -16.691 -7.802 1.00 1.00 C ATOM 898 CG HIS A 58 0.688 -17.805 -7.638 1.00 1.00 C ATOM 899 ND1 HIS A 58 0.424 -19.100 -7.991 1.00 1.00 N ATOM 900 CD2 HIS A 58 1.930 -17.795 -7.081 1.00 1.00 C ATOM 901 CE1 HIS A 58 1.448 -19.859 -7.647 1.00 1.00 C ATOM 902 NE2 HIS A 58 2.373 -19.091 -7.103 1.00 1.00 N ATOM 0 H HIS A 58 0.751 -15.873 -4.882 1.00 1.00 H new ATOM 0 HA HIS A 58 0.725 -15.087 -6.819 1.00 1.00 H new ATOM 0 HB2 HIS A 58 -1.312 -17.106 -7.817 1.00 1.00 H new ATOM 0 HB3 HIS A 58 -0.145 -16.207 -8.766 1.00 1.00 H new ATOM 0 HD1 HIS A 58 -0.428 -19.427 -8.447 1.00 1.00 H new ATOM 0 HD2 HIS A 58 2.461 -16.936 -6.698 1.00 1.00 H new ATOM 0 HE1 HIS A 58 1.517 -20.928 -7.787 1.00 1.00 H new ATOM 910 N GLN A 59 -1.339 -13.628 -5.921 1.00 1.00 N ATOM 911 CA GLN A 59 -2.235 -12.516 -6.000 1.00 1.00 C ATOM 912 C GLN A 59 -1.693 -11.423 -5.142 1.00 1.00 C ATOM 913 O GLN A 59 -0.871 -11.661 -4.260 1.00 1.00 O ATOM 914 CB GLN A 59 -3.679 -12.869 -5.608 1.00 1.00 C ATOM 915 CG GLN A 59 -4.709 -11.800 -5.980 1.00 1.00 C ATOM 916 CD GLN A 59 -6.138 -12.320 -5.934 1.00 1.00 C ATOM 917 OE1 GLN A 59 -6.721 -12.524 -4.870 1.00 1.00 O ATOM 918 NE2 GLN A 59 -6.746 -12.497 -7.138 1.00 1.00 N ATOM 0 H GLN A 59 -0.713 -13.580 -5.117 1.00 1.00 H new ATOM 0 HA GLN A 59 -2.294 -12.194 -7.040 1.00 1.00 H new ATOM 0 HB2 GLN A 59 -3.955 -13.807 -6.090 1.00 1.00 H new ATOM 0 HB3 GLN A 59 -3.720 -13.039 -4.532 1.00 1.00 H new ATOM 0 HG2 GLN A 59 -4.612 -10.955 -5.298 1.00 1.00 H new ATOM 0 HG3 GLN A 59 -4.494 -11.428 -6.982 1.00 1.00 H new ATOM 0 HE21 GLN A 59 -6.231 -12.318 -8.000 1.00 1.00 H new ATOM 0 HE22 GLN A 59 -7.716 -12.809 -7.178 1.00 1.00 H new ATOM 927 N VAL A 60 -2.097 -10.165 -5.395 1.00 1.00 N ATOM 928 CA VAL A 60 -1.707 -8.994 -4.674 1.00 1.00 C ATOM 929 C VAL A 60 -2.898 -8.336 -4.069 1.00 1.00 C ATOM 930 O VAL A 60 -4.015 -8.462 -4.573 1.00 1.00 O ATOM 931 CB VAL A 60 -0.989 -8.068 -5.611 1.00 1.00 C ATOM 932 CG1 VAL A 60 -0.706 -6.669 -5.038 1.00 1.00 C ATOM 933 CG2 VAL A 60 0.358 -8.715 -5.974 1.00 1.00 C ATOM 0 H VAL A 60 -2.741 -9.953 -6.157 1.00 1.00 H new ATOM 0 HA VAL A 60 -1.036 -9.265 -3.858 1.00 1.00 H new ATOM 0 HB VAL A 60 -1.645 -7.923 -6.469 1.00 1.00 H new ATOM 0 HG11 VAL A 60 -0.185 -6.069 -5.784 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -1.647 -6.186 -4.777 1.00 1.00 H new ATOM 0 HG13 VAL A 60 -0.085 -6.760 -4.147 1.00 1.00 H new ATOM 0 HG21 VAL A 60 0.903 -8.062 -6.656 1.00 1.00 H new ATOM 0 HG22 VAL A 60 0.945 -8.865 -5.068 1.00 1.00 H new ATOM 0 HG23 VAL A 60 0.182 -9.677 -6.456 1.00 1.00 H new ATOM 943 N TRP A 61 -2.718 -7.606 -2.954 1.00 1.00 N ATOM 944 CA TRP A 61 -3.729 -6.844 -2.289 1.00 1.00 C ATOM 945 C TRP A 61 -3.524 -5.394 -2.570 1.00 1.00 C ATOM 946 O TRP A 61 -2.407 -4.951 -2.830 1.00 1.00 O ATOM 947 CB TRP A 61 -3.768 -7.222 -0.800 1.00 1.00 C ATOM 948 CG TRP A 61 -3.700 -6.129 0.240 1.00 1.00 C ATOM 949 CD1 TRP A 61 -2.726 -5.176 0.337 1.00 1.00 C ATOM 950 CD2 TRP A 61 -4.638 -5.853 1.297 1.00 1.00 C ATOM 951 NE1 TRP A 61 -3.015 -4.294 1.345 1.00 1.00 N ATOM 952 CE2 TRP A 61 -4.153 -4.732 1.980 1.00 1.00 C ATOM 953 CE3 TRP A 61 -5.796 -6.471 1.680 1.00 1.00 C ATOM 954 CZ2 TRP A 61 -4.814 -4.251 3.077 1.00 1.00 C ATOM 955 CZ3 TRP A 61 -6.457 -5.971 2.777 1.00 1.00 C ATOM 956 CH2 TRP A 61 -5.968 -4.888 3.468 1.00 1.00 C ATOM 0 H TRP A 61 -1.812 -7.544 -2.489 1.00 1.00 H new ATOM 0 HA TRP A 61 -4.722 -7.079 -2.672 1.00 1.00 H new ATOM 0 HB2 TRP A 61 -4.687 -7.782 -0.628 1.00 1.00 H new ATOM 0 HB3 TRP A 61 -2.939 -7.905 -0.613 1.00 1.00 H new ATOM 0 HD1 TRP A 61 -1.850 -5.125 -0.293 1.00 1.00 H new ATOM 0 HE1 TRP A 61 -2.480 -3.459 1.583 1.00 1.00 H new ATOM 0 HE3 TRP A 61 -6.179 -7.324 1.139 1.00 1.00 H new ATOM 0 HZ2 TRP A 61 -4.440 -3.396 3.620 1.00 1.00 H new ATOM 0 HZ3 TRP A 61 -7.376 -6.437 3.101 1.00 1.00 H new ATOM 0 HH2 TRP A 61 -6.501 -4.530 4.336 1.00 1.00 H new ATOM 967 N LEU A 62 -4.596 -4.584 -2.541 1.00 1.00 N ATOM 968 CA LEU A 62 -4.557 -3.188 -2.853 1.00 1.00 C ATOM 969 C LEU A 62 -5.520 -2.435 -2.002 1.00 1.00 C ATOM 970 O LEU A 62 -6.715 -2.393 -2.296 1.00 1.00 O ATOM 971 CB LEU A 62 -4.921 -3.071 -4.342 1.00 1.00 C ATOM 972 CG LEU A 62 -4.382 -1.881 -5.151 1.00 1.00 C ATOM 973 CD1 LEU A 62 -4.894 -0.499 -4.710 1.00 1.00 C ATOM 974 CD2 LEU A 62 -2.846 -1.889 -5.232 1.00 1.00 C ATOM 0 H LEU A 62 -5.528 -4.914 -2.290 1.00 1.00 H new ATOM 0 HA LEU A 62 -3.573 -2.762 -2.659 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -4.585 -3.983 -4.835 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -6.008 -3.052 -4.414 1.00 1.00 H new ATOM 0 HG LEU A 62 -4.795 -2.037 -6.148 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -4.454 0.271 -5.344 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -5.980 -0.467 -4.801 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -4.611 -0.320 -3.673 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -2.508 -1.031 -5.813 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -2.428 -1.834 -4.227 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -2.512 -2.808 -5.714 1.00 1.00 H new ATOM 986 N ALA A 63 -5.086 -1.821 -0.887 1.00 1.00 N ATOM 987 CA ALA A 63 -5.947 -1.071 -0.025 1.00 1.00 C ATOM 988 C ALA A 63 -5.566 0.350 0.202 1.00 1.00 C ATOM 989 O ALA A 63 -4.409 0.764 0.140 1.00 1.00 O ATOM 990 CB ALA A 63 -6.117 -1.762 1.338 1.00 1.00 C ATOM 0 H ALA A 63 -4.115 -1.846 -0.577 1.00 1.00 H new ATOM 0 HA ALA A 63 -6.888 -1.047 -0.575 1.00 1.00 H new ATOM 0 HB1 ALA A 63 -6.777 -1.166 1.968 1.00 1.00 H new ATOM 0 HB2 ALA A 63 -6.550 -2.752 1.193 1.00 1.00 H new ATOM 0 HB3 ALA A 63 -5.144 -1.859 1.821 1.00 1.00 H new ATOM 996 N THR A 64 -6.582 1.203 0.422 1.00 1.00 N ATOM 997 CA THR A 64 -6.447 2.585 0.761 1.00 1.00 C ATOM 998 C THR A 64 -7.602 3.057 1.577 1.00 1.00 C ATOM 999 O THR A 64 -7.607 2.910 2.797 1.00 1.00 O ATOM 1000 CB THR A 64 -6.248 3.520 -0.395 1.00 1.00 C ATOM 1001 OG1 THR A 64 -5.310 3.003 -1.326 1.00 1.00 O ATOM 1002 CG2 THR A 64 -5.736 4.877 0.116 1.00 1.00 C ATOM 0 H THR A 64 -7.557 0.909 0.359 1.00 1.00 H new ATOM 0 HA THR A 64 -5.523 2.619 1.339 1.00 1.00 H new ATOM 0 HB THR A 64 -7.210 3.637 -0.894 1.00 1.00 H new ATOM 0 HG1 THR A 64 -4.847 3.744 -1.769 1.00 1.00 H new ATOM 0 HG21 THR A 64 -5.593 5.553 -0.727 1.00 1.00 H new ATOM 0 HG22 THR A 64 -6.465 5.305 0.804 1.00 1.00 H new ATOM 0 HG23 THR A 64 -4.787 4.736 0.633 1.00 1.00 H new ATOM 1010 N LYS A 65 -8.633 3.646 0.944 1.00 1.00 N ATOM 1011 CA LYS A 65 -9.739 4.285 1.587 1.00 1.00 C ATOM 1012 C LYS A 65 -10.918 3.374 1.619 1.00 1.00 C ATOM 1013 O LYS A 65 -11.594 3.244 2.638 1.00 1.00 O ATOM 1014 CB LYS A 65 -10.106 5.608 0.896 1.00 1.00 C ATOM 1015 CG LYS A 65 -10.790 6.608 1.831 1.00 1.00 C ATOM 1016 CD LYS A 65 -12.313 6.507 1.942 1.00 1.00 C ATOM 1017 CE LYS A 65 -12.879 7.503 2.957 1.00 1.00 C ATOM 1018 NZ LYS A 65 -14.353 7.594 2.874 1.00 1.00 N ATOM 0 H LYS A 65 -8.697 3.678 -0.073 1.00 1.00 H new ATOM 0 HA LYS A 65 -9.440 4.515 2.610 1.00 1.00 H new ATOM 0 HB2 LYS A 65 -9.202 6.061 0.489 1.00 1.00 H new ATOM 0 HB3 LYS A 65 -10.765 5.399 0.053 1.00 1.00 H new ATOM 0 HG2 LYS A 65 -10.366 6.488 2.828 1.00 1.00 H new ATOM 0 HG3 LYS A 65 -10.538 7.615 1.497 1.00 1.00 H new ATOM 0 HD2 LYS A 65 -12.761 6.690 0.965 1.00 1.00 H new ATOM 0 HD3 LYS A 65 -12.589 5.494 2.235 1.00 1.00 H new ATOM 0 HE2 LYS A 65 -12.590 7.200 3.963 1.00 1.00 H new ATOM 0 HE3 LYS A 65 -12.444 8.487 2.782 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 -14.699 8.278 3.577 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 -14.628 7.907 1.921 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 -14.770 6.661 3.066 1.00 1.00 H new ATOM 1032 N GLN A 66 -11.197 2.700 0.488 1.00 1.00 N ATOM 1033 CA GLN A 66 -12.351 1.876 0.306 1.00 1.00 C ATOM 1034 C GLN A 66 -12.321 0.615 1.098 1.00 1.00 C ATOM 1035 O GLN A 66 -13.364 0.046 1.420 1.00 1.00 O ATOM 1036 CB GLN A 66 -12.441 1.503 -1.183 1.00 1.00 C ATOM 1037 CG GLN A 66 -12.855 2.653 -2.104 1.00 1.00 C ATOM 1038 CD GLN A 66 -14.359 2.882 -2.135 1.00 1.00 C ATOM 1039 OE1 GLN A 66 -15.139 2.247 -1.425 1.00 1.00 O ATOM 1040 NE2 GLN A 66 -14.797 3.806 -3.030 1.00 1.00 N ATOM 0 H GLN A 66 -10.593 2.731 -0.333 1.00 1.00 H new ATOM 0 HA GLN A 66 -13.211 2.450 0.652 1.00 1.00 H new ATOM 0 HB2 GLN A 66 -11.472 1.125 -1.509 1.00 1.00 H new ATOM 0 HB3 GLN A 66 -13.156 0.688 -1.297 1.00 1.00 H new ATOM 0 HG2 GLN A 66 -12.361 3.568 -1.777 1.00 1.00 H new ATOM 0 HG3 GLN A 66 -12.504 2.445 -3.115 1.00 1.00 H new ATOM 0 HE21 GLN A 66 -14.127 4.317 -3.605 1.00 1.00 H new ATOM 0 HE22 GLN A 66 -15.796 3.989 -3.127 1.00 1.00 H new ATOM 1049 N GLY A 67 -11.119 0.143 1.477 1.00 1.00 N ATOM 1050 CA GLY A 67 -10.962 -0.886 2.457 1.00 1.00 C ATOM 1051 C GLY A 67 -9.944 -1.893 2.047 1.00 1.00 C ATOM 1052 O GLY A 67 -9.150 -2.361 2.862 1.00 1.00 O ATOM 0 H GLY A 67 -10.237 0.484 1.094 1.00 1.00 H new ATOM 0 HA2 GLY A 67 -10.669 -0.440 3.408 1.00 1.00 H new ATOM 0 HA3 GLY A 67 -11.919 -1.382 2.619 1.00 1.00 H new ATOM 1056 N GLY A 68 -9.936 -2.244 0.749 1.00 1.00 N ATOM 1057 CA GLY A 68 -9.017 -3.201 0.215 1.00 1.00 C ATOM 1058 C GLY A 68 -9.626 -4.104 -0.802 1.00 1.00 C ATOM 1059 O GLY A 68 -10.615 -4.793 -0.560 1.00 1.00 O ATOM 0 H GLY A 68 -10.579 -1.857 0.058 1.00 1.00 H new ATOM 0 HA2 GLY A 68 -8.176 -2.674 -0.235 1.00 1.00 H new ATOM 0 HA3 GLY A 68 -8.616 -3.803 1.031 1.00 1.00 H new ATOM 1063 N TYR A 69 -9.007 -4.112 -1.996 1.00 1.00 N ATOM 1064 CA TYR A 69 -9.342 -4.931 -3.120 1.00 1.00 C ATOM 1065 C TYR A 69 -8.185 -5.837 -3.365 1.00 1.00 C ATOM 1066 O TYR A 69 -7.113 -5.676 -2.780 1.00 1.00 O ATOM 1067 CB TYR A 69 -9.580 -4.061 -4.366 1.00 1.00 C ATOM 1068 CG TYR A 69 -10.704 -3.090 -4.262 1.00 1.00 C ATOM 1069 CD1 TYR A 69 -11.744 -3.181 -3.368 1.00 1.00 C ATOM 1070 CD2 TYR A 69 -10.704 -2.045 -5.157 1.00 1.00 C ATOM 1071 CE1 TYR A 69 -12.735 -2.228 -3.330 1.00 1.00 C ATOM 1072 CE2 TYR A 69 -11.696 -1.094 -5.140 1.00 1.00 C ATOM 1073 CZ TYR A 69 -12.713 -1.180 -4.218 1.00 1.00 C ATOM 1074 OH TYR A 69 -13.748 -0.220 -4.229 1.00 1.00 O ATOM 0 H TYR A 69 -8.214 -3.500 -2.189 1.00 1.00 H new ATOM 0 HA TYR A 69 -10.253 -5.495 -2.919 1.00 1.00 H new ATOM 0 HB2 TYR A 69 -8.665 -3.510 -4.584 1.00 1.00 H new ATOM 0 HB3 TYR A 69 -9.767 -4.717 -5.216 1.00 1.00 H new ATOM 0 HD1 TYR A 69 -11.784 -4.015 -2.683 1.00 1.00 H new ATOM 0 HD2 TYR A 69 -9.910 -1.971 -5.886 1.00 1.00 H new ATOM 0 HE1 TYR A 69 -13.530 -2.303 -2.603 1.00 1.00 H new ATOM 0 HE2 TYR A 69 -11.677 -0.280 -5.850 1.00 1.00 H new ATOM 0 HH TYR A 69 -13.566 0.449 -4.922 1.00 1.00 H new ATOM 1084 N HIS A 70 -8.335 -6.842 -4.243 1.00 1.00 N ATOM 1085 CA HIS A 70 -7.242 -7.618 -4.741 1.00 1.00 C ATOM 1086 C HIS A 70 -7.089 -7.402 -6.208 1.00 1.00 C ATOM 1087 O HIS A 70 -7.960 -6.835 -6.865 1.00 1.00 O ATOM 1088 CB HIS A 70 -7.317 -9.109 -4.369 1.00 1.00 C ATOM 1089 CG HIS A 70 -8.691 -9.628 -4.072 1.00 1.00 C ATOM 1090 ND1 HIS A 70 -9.539 -10.225 -4.968 1.00 1.00 N ATOM 1091 CD2 HIS A 70 -9.344 -9.606 -2.879 1.00 1.00 C ATOM 1092 CE1 HIS A 70 -10.655 -10.563 -4.346 1.00 1.00 C ATOM 1093 NE2 HIS A 70 -10.566 -10.189 -3.083 1.00 1.00 N ATOM 0 H HIS A 70 -9.241 -7.124 -4.618 1.00 1.00 H new ATOM 0 HA HIS A 70 -6.341 -7.261 -4.241 1.00 1.00 H new ATOM 0 HB2 HIS A 70 -6.896 -9.692 -5.188 1.00 1.00 H new ATOM 0 HB3 HIS A 70 -6.686 -9.281 -3.497 1.00 1.00 H new ATOM 0 HD1 HIS A 70 -9.341 -10.383 -5.956 1.00 1.00 H new ATOM 0 HD2 HIS A 70 -8.970 -9.205 -1.948 1.00 1.00 H new ATOM 0 HE1 HIS A 70 -11.500 -11.063 -4.796 1.00 1.00 H new ATOM 1101 N PHE A 71 -5.896 -7.738 -6.730 1.00 1.00 N ATOM 1102 CA PHE A 71 -5.329 -7.116 -7.887 1.00 1.00 C ATOM 1103 C PHE A 71 -4.667 -8.142 -8.741 1.00 1.00 C ATOM 1104 O PHE A 71 -3.827 -8.888 -8.241 1.00 1.00 O ATOM 1105 CB PHE A 71 -4.316 -6.157 -7.239 1.00 1.00 C ATOM 1106 CG PHE A 71 -3.632 -5.176 -8.128 1.00 1.00 C ATOM 1107 CD1 PHE A 71 -4.363 -4.317 -8.915 1.00 1.00 C ATOM 1108 CD2 PHE A 71 -2.269 -5.024 -8.041 1.00 1.00 C ATOM 1109 CE1 PHE A 71 -3.734 -3.295 -9.586 1.00 1.00 C ATOM 1110 CE2 PHE A 71 -1.631 -4.009 -8.718 1.00 1.00 C ATOM 1111 CZ PHE A 71 -2.371 -3.139 -9.483 1.00 1.00 C ATOM 0 H PHE A 71 -5.305 -8.468 -6.333 1.00 1.00 H new ATOM 0 HA PHE A 71 -6.038 -6.615 -8.546 1.00 1.00 H new ATOM 0 HB2 PHE A 71 -4.833 -5.600 -6.458 1.00 1.00 H new ATOM 0 HB3 PHE A 71 -3.550 -6.758 -6.749 1.00 1.00 H new ATOM 0 HD1 PHE A 71 -5.431 -4.445 -9.006 1.00 1.00 H new ATOM 0 HD2 PHE A 71 -1.692 -5.708 -7.435 1.00 1.00 H new ATOM 0 HE1 PHE A 71 -4.310 -2.614 -10.195 1.00 1.00 H new ATOM 0 HE2 PHE A 71 -0.559 -3.897 -8.649 1.00 1.00 H new ATOM 0 HZ PHE A 71 -1.881 -2.330 -10.005 1.00 1.00 H new ATOM 1121 N ASP A 72 -5.012 -8.229 -10.039 1.00 1.00 N ATOM 1122 CA ASP A 72 -4.417 -9.176 -10.930 1.00 1.00 C ATOM 1123 C ASP A 72 -4.090 -8.557 -12.245 1.00 1.00 C ATOM 1124 O ASP A 72 -4.699 -7.579 -12.674 1.00 1.00 O ATOM 1125 CB ASP A 72 -5.310 -10.376 -11.287 1.00 1.00 C ATOM 1126 CG ASP A 72 -5.841 -11.186 -10.115 1.00 1.00 C ATOM 1127 OD1 ASP A 72 -5.060 -11.864 -9.396 1.00 1.00 O ATOM 1128 OD2 ASP A 72 -7.095 -11.294 -10.035 1.00 1.00 O ATOM 0 H ASP A 72 -5.715 -7.633 -10.476 1.00 1.00 H new ATOM 0 HA ASP A 72 -3.541 -9.511 -10.376 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -6.159 -10.012 -11.865 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -4.744 -11.043 -11.937 1.00 1.00 H new ATOM 1133 N LEU A 73 -3.128 -9.138 -12.984 1.00 1.00 N ATOM 1134 CA LEU A 73 -2.782 -8.771 -14.322 1.00 1.00 C ATOM 1135 C LEU A 73 -3.657 -9.442 -15.322 1.00 1.00 C ATOM 1136 O LEU A 73 -3.939 -10.636 -15.243 1.00 1.00 O ATOM 1137 CB LEU A 73 -1.319 -9.161 -14.589 1.00 1.00 C ATOM 1138 CG LEU A 73 -0.762 -8.891 -15.998 1.00 1.00 C ATOM 1139 CD1 LEU A 73 -0.761 -7.399 -16.374 1.00 1.00 C ATOM 1140 CD2 LEU A 73 0.665 -9.452 -16.124 1.00 1.00 C ATOM 0 H LEU A 73 -2.560 -9.907 -12.627 1.00 1.00 H new ATOM 0 HA LEU A 73 -2.918 -7.694 -14.423 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -0.692 -8.631 -13.871 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -1.211 -10.226 -14.382 1.00 1.00 H new ATOM 0 HG LEU A 73 -1.431 -9.398 -16.694 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -0.356 -7.277 -17.379 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -1.781 -7.016 -16.345 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -0.145 -6.846 -15.665 1.00 1.00 H new ATOM 0 HD21 LEU A 73 1.047 -9.254 -17.126 1.00 1.00 H new ATOM 0 HD22 LEU A 73 1.311 -8.973 -15.388 1.00 1.00 H new ATOM 0 HD23 LEU A 73 0.650 -10.528 -15.947 1.00 1.00 H new ATOM 1152 N LYS A 74 -4.105 -8.681 -16.337 1.00 1.00 N ATOM 1153 CA LYS A 74 -4.631 -9.186 -17.567 1.00 1.00 C ATOM 1154 C LYS A 74 -3.534 -9.372 -18.561 1.00 1.00 C ATOM 1155 O LYS A 74 -2.969 -10.460 -18.660 1.00 1.00 O ATOM 1156 CB LYS A 74 -5.741 -8.252 -18.080 1.00 1.00 C ATOM 1157 CG LYS A 74 -7.024 -8.330 -17.251 1.00 1.00 C ATOM 1158 CD LYS A 74 -7.713 -9.696 -17.296 1.00 1.00 C ATOM 1159 CE LYS A 74 -9.073 -9.702 -16.597 1.00 1.00 C ATOM 1160 NZ LYS A 74 -9.690 -11.048 -16.643 1.00 1.00 N ATOM 0 H LYS A 74 -4.100 -7.662 -16.297 1.00 1.00 H new ATOM 0 HA LYS A 74 -5.079 -10.166 -17.403 1.00 1.00 H new ATOM 0 HB2 LYS A 74 -5.375 -7.225 -18.075 1.00 1.00 H new ATOM 0 HB3 LYS A 74 -5.969 -8.504 -19.116 1.00 1.00 H new ATOM 0 HG2 LYS A 74 -6.790 -8.087 -16.215 1.00 1.00 H new ATOM 0 HG3 LYS A 74 -7.721 -7.571 -17.607 1.00 1.00 H new ATOM 0 HD2 LYS A 74 -7.844 -9.997 -18.335 1.00 1.00 H new ATOM 0 HD3 LYS A 74 -7.067 -10.438 -16.828 1.00 1.00 H new ATOM 0 HE2 LYS A 74 -8.954 -9.388 -15.560 1.00 1.00 H new ATOM 0 HE3 LYS A 74 -9.734 -8.979 -17.075 1.00 1.00 H new ATOM 0 HZ1 LYS A 74 -10.612 -11.024 -16.162 1.00 1.00 H new ATOM 0 HZ2 LYS A 74 -9.824 -11.335 -17.634 1.00 1.00 H new ATOM 0 HZ3 LYS A 74 -9.068 -11.731 -16.166 1.00 1.00 H new ATOM 1174 N GLY A 75 -3.160 -8.331 -19.327 1.00 1.00 N ATOM 1175 CA GLY A 75 -2.060 -8.389 -20.236 1.00 1.00 C ATOM 1176 C GLY A 75 -1.225 -7.155 -20.209 1.00 1.00 C ATOM 1177 O GLY A 75 -0.017 -7.206 -19.984 1.00 1.00 O ATOM 0 H GLY A 75 -3.634 -7.428 -19.313 1.00 1.00 H new ATOM 0 HA2 GLY A 75 -1.437 -9.249 -19.992 1.00 1.00 H new ATOM 0 HA3 GLY A 75 -2.437 -8.545 -21.247 1.00 1.00 H new ATOM 1181 N ASP A 76 -1.847 -5.982 -20.427 1.00 1.00 N ATOM 1182 CA ASP A 76 -1.227 -4.699 -20.311 1.00 1.00 C ATOM 1183 C ASP A 76 -1.512 -4.093 -18.979 1.00 1.00 C ATOM 1184 O ASP A 76 -0.840 -3.167 -18.528 1.00 1.00 O ATOM 1185 CB ASP A 76 -1.798 -3.725 -21.356 1.00 1.00 C ATOM 1186 CG ASP A 76 -1.515 -4.157 -22.787 1.00 1.00 C ATOM 1187 OD1 ASP A 76 -0.447 -4.772 -23.048 1.00 1.00 O ATOM 1188 OD2 ASP A 76 -2.355 -3.846 -23.673 1.00 1.00 O ATOM 0 H ASP A 76 -2.829 -5.926 -20.697 1.00 1.00 H new ATOM 0 HA ASP A 76 -0.157 -4.852 -20.454 1.00 1.00 H new ATOM 0 HB2 ASP A 76 -2.875 -3.639 -21.214 1.00 1.00 H new ATOM 0 HB3 ASP A 76 -1.375 -2.734 -21.191 1.00 1.00 H new ATOM 1193 N GLU A 77 -2.574 -4.582 -18.314 1.00 1.00 N ATOM 1194 CA GLU A 77 -3.353 -3.832 -17.378 1.00 1.00 C ATOM 1195 C GLU A 77 -3.554 -4.696 -16.181 1.00 1.00 C ATOM 1196 O GLU A 77 -4.083 -5.804 -16.253 1.00 1.00 O ATOM 1197 CB GLU A 77 -4.681 -3.476 -18.067 1.00 1.00 C ATOM 1198 CG GLU A 77 -5.512 -2.369 -17.412 1.00 1.00 C ATOM 1199 CD GLU A 77 -6.652 -1.972 -18.338 1.00 1.00 C ATOM 1200 OE1 GLU A 77 -6.367 -1.518 -19.477 1.00 1.00 O ATOM 1201 OE2 GLU A 77 -7.845 -2.070 -17.942 1.00 1.00 O ATOM 0 H GLU A 77 -2.904 -5.540 -18.434 1.00 1.00 H new ATOM 0 HA GLU A 77 -2.872 -2.907 -17.061 1.00 1.00 H new ATOM 0 HB2 GLU A 77 -4.465 -3.179 -19.093 1.00 1.00 H new ATOM 0 HB3 GLU A 77 -5.292 -4.377 -18.118 1.00 1.00 H new ATOM 0 HG2 GLU A 77 -5.909 -2.715 -16.457 1.00 1.00 H new ATOM 0 HG3 GLU A 77 -4.883 -1.504 -17.201 1.00 1.00 H new ATOM 1208 N TRP A 78 -3.100 -4.202 -15.016 1.00 1.00 N ATOM 1209 CA TRP A 78 -3.449 -4.777 -13.753 1.00 1.00 C ATOM 1210 C TRP A 78 -4.770 -4.200 -13.372 1.00 1.00 C ATOM 1211 O TRP A 78 -4.896 -3.020 -13.048 1.00 1.00 O ATOM 1212 CB TRP A 78 -2.412 -4.504 -12.651 1.00 1.00 C ATOM 1213 CG TRP A 78 -1.139 -5.316 -12.720 1.00 1.00 C ATOM 1214 CD1 TRP A 78 -0.047 -5.191 -13.532 1.00 1.00 C ATOM 1215 CD2 TRP A 78 -0.851 -6.401 -11.821 1.00 1.00 C ATOM 1216 NE1 TRP A 78 0.888 -6.141 -13.219 1.00 1.00 N ATOM 1217 CE2 TRP A 78 0.413 -6.894 -12.171 1.00 1.00 C ATOM 1218 CE3 TRP A 78 -1.562 -6.947 -10.787 1.00 1.00 C ATOM 1219 CZ2 TRP A 78 0.953 -7.955 -11.497 1.00 1.00 C ATOM 1220 CZ3 TRP A 78 -1.009 -8.012 -10.118 1.00 1.00 C ATOM 1221 CH2 TRP A 78 0.223 -8.510 -10.473 1.00 1.00 C ATOM 0 H TRP A 78 -2.483 -3.393 -14.949 1.00 1.00 H new ATOM 0 HA TRP A 78 -3.485 -5.862 -13.854 1.00 1.00 H new ATOM 0 HB2 TRP A 78 -2.147 -3.447 -12.683 1.00 1.00 H new ATOM 0 HB3 TRP A 78 -2.883 -4.685 -11.685 1.00 1.00 H new ATOM 0 HD1 TRP A 78 0.063 -4.449 -14.309 1.00 1.00 H new ATOM 0 HE1 TRP A 78 1.786 -6.269 -13.685 1.00 1.00 H new ATOM 0 HE3 TRP A 78 -2.527 -6.553 -10.506 1.00 1.00 H new ATOM 0 HZ2 TRP A 78 1.925 -8.345 -11.762 1.00 1.00 H new ATOM 0 HZ3 TRP A 78 -1.550 -8.465 -9.301 1.00 1.00 H new ATOM 0 HH2 TRP A 78 0.626 -9.356 -9.935 1.00 1.00 H new ATOM 1232 N ILE A 79 -5.836 -5.015 -13.457 1.00 1.00 N ATOM 1233 CA ILE A 79 -7.160 -4.608 -13.103 1.00 1.00 C ATOM 1234 C ILE A 79 -7.370 -4.988 -11.676 1.00 1.00 C ATOM 1235 O ILE A 79 -6.765 -5.905 -11.123 1.00 1.00 O ATOM 1236 CB ILE A 79 -8.232 -5.115 -14.021 1.00 1.00 C ATOM 1237 CG1 ILE A 79 -8.935 -6.409 -13.578 1.00 1.00 C ATOM 1238 CG2 ILE A 79 -7.681 -5.164 -15.457 1.00 1.00 C ATOM 1239 CD1 ILE A 79 -10.030 -6.881 -14.533 1.00 1.00 C ATOM 0 H ILE A 79 -5.776 -5.981 -13.780 1.00 1.00 H new ATOM 0 HA ILE A 79 -7.247 -3.528 -13.222 1.00 1.00 H new ATOM 0 HB ILE A 79 -9.054 -4.401 -13.977 1.00 1.00 H new ATOM 0 HG12 ILE A 79 -8.190 -7.198 -13.477 1.00 1.00 H new ATOM 0 HG13 ILE A 79 -9.370 -6.254 -12.591 1.00 1.00 H new ATOM 0 HG21 ILE A 79 -8.455 -5.532 -16.131 1.00 1.00 H new ATOM 0 HG22 ILE A 79 -7.377 -4.163 -15.765 1.00 1.00 H new ATOM 0 HG23 ILE A 79 -6.820 -5.832 -15.494 1.00 1.00 H new ATOM 0 HD11 ILE A 79 -10.476 -7.799 -14.150 1.00 1.00 H new ATOM 0 HD12 ILE A 79 -10.797 -6.111 -14.616 1.00 1.00 H new ATOM 0 HD13 ILE A 79 -9.599 -7.071 -15.516 1.00 1.00 H new ATOM 1251 N CYS A 80 -8.276 -4.261 -11.002 1.00 1.00 N ATOM 1252 CA CYS A 80 -8.673 -4.615 -9.674 1.00 1.00 C ATOM 1253 C CYS A 80 -9.743 -5.646 -9.769 1.00 1.00 C ATOM 1254 O CYS A 80 -10.735 -5.466 -10.476 1.00 1.00 O ATOM 1255 CB CYS A 80 -9.096 -3.389 -8.847 1.00 1.00 C ATOM 1256 SG CYS A 80 -7.751 -2.165 -8.850 1.00 1.00 S ATOM 0 H CYS A 80 -8.734 -3.429 -11.374 1.00 1.00 H new ATOM 0 HA CYS A 80 -7.823 -5.033 -9.135 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -10.003 -2.950 -9.264 1.00 1.00 H new ATOM 0 HB3 CYS A 80 -9.328 -3.688 -7.825 1.00 1.00 H new ATOM 0 HG CYS A 80 -7.084 -2.250 -7.737 1.00 1.00 H new ATOM 1262 N ASP A 81 -9.558 -6.799 -9.102 1.00 1.00 N ATOM 1263 CA ASP A 81 -10.393 -7.958 -9.164 1.00 1.00 C ATOM 1264 C ASP A 81 -11.706 -7.695 -8.508 1.00 1.00 C ATOM 1265 O ASP A 81 -12.775 -7.865 -9.091 1.00 1.00 O ATOM 1266 CB ASP A 81 -9.634 -9.095 -8.459 1.00 1.00 C ATOM 1267 CG ASP A 81 -10.385 -10.419 -8.509 1.00 1.00 C ATOM 1268 OD1 ASP A 81 -10.668 -10.939 -9.621 1.00 1.00 O ATOM 1269 OD2 ASP A 81 -10.699 -10.959 -7.415 1.00 1.00 O ATOM 0 H ASP A 81 -8.766 -6.929 -8.473 1.00 1.00 H new ATOM 0 HA ASP A 81 -10.609 -8.230 -10.197 1.00 1.00 H new ATOM 0 HB2 ASP A 81 -8.656 -9.218 -8.925 1.00 1.00 H new ATOM 0 HB3 ASP A 81 -9.459 -8.820 -7.419 1.00 1.00 H new ATOM 1274 N ARG A 82 -11.630 -7.233 -7.247 1.00 1.00 N ATOM 1275 CA ARG A 82 -12.735 -6.861 -6.422 1.00 1.00 C ATOM 1276 C ARG A 82 -13.232 -5.530 -6.869 1.00 1.00 C ATOM 1277 O ARG A 82 -12.432 -4.658 -7.210 1.00 1.00 O ATOM 1278 CB ARG A 82 -12.251 -6.839 -4.963 1.00 1.00 C ATOM 1279 CG ARG A 82 -13.291 -7.085 -3.868 1.00 1.00 C ATOM 1280 CD ARG A 82 -14.316 -5.974 -3.634 1.00 1.00 C ATOM 1281 NE ARG A 82 -14.917 -6.251 -2.300 1.00 1.00 N ATOM 1282 CZ ARG A 82 -15.861 -7.212 -2.078 1.00 1.00 C ATOM 1283 NH1 ARG A 82 -16.662 -7.701 -3.070 1.00 1.00 N ATOM 1284 NH2 ARG A 82 -15.981 -7.736 -0.823 1.00 1.00 N ATOM 0 H ARG A 82 -10.735 -7.112 -6.774 1.00 1.00 H new ATOM 0 HA ARG A 82 -13.560 -7.569 -6.500 1.00 1.00 H new ATOM 0 HB2 ARG A 82 -11.468 -7.590 -4.857 1.00 1.00 H new ATOM 0 HB3 ARG A 82 -11.790 -5.869 -4.777 1.00 1.00 H new ATOM 0 HG2 ARG A 82 -13.831 -8.001 -4.110 1.00 1.00 H new ATOM 0 HG3 ARG A 82 -12.763 -7.264 -2.931 1.00 1.00 H new ATOM 0 HD2 ARG A 82 -13.841 -4.993 -3.653 1.00 1.00 H new ATOM 0 HD3 ARG A 82 -15.078 -5.974 -4.414 1.00 1.00 H new ATOM 0 HE ARG A 82 -14.606 -5.691 -1.507 1.00 1.00 H new ATOM 0 HH11 ARG A 82 -16.568 -7.348 -4.022 1.00 1.00 H new ATOM 0 HH12 ARG A 82 -17.355 -8.419 -2.859 1.00 1.00 H new ATOM 0 HH21 ARG A 82 -15.372 -7.408 -0.073 1.00 1.00 H new ATOM 0 HH22 ARG A 82 -16.680 -8.455 -0.635 1.00 1.00 H new ATOM 1298 N SER A 83 -14.562 -5.351 -6.953 1.00 1.00 N ATOM 1299 CA SER A 83 -15.222 -4.223 -7.530 1.00 1.00 C ATOM 1300 C SER A 83 -15.147 -4.198 -9.019 1.00 1.00 C ATOM 1301 O SER A 83 -16.174 -4.219 -9.694 1.00 1.00 O ATOM 1302 CB SER A 83 -14.857 -2.840 -6.962 1.00 1.00 C ATOM 1303 OG SER A 83 -15.141 -2.755 -5.573 1.00 1.00 O ATOM 0 H SER A 83 -15.220 -6.042 -6.593 1.00 1.00 H new ATOM 0 HA SER A 83 -16.252 -4.396 -7.220 1.00 1.00 H new ATOM 0 HB2 SER A 83 -13.798 -2.645 -7.130 1.00 1.00 H new ATOM 0 HB3 SER A 83 -15.412 -2.069 -7.496 1.00 1.00 H new ATOM 0 HG SER A 83 -14.380 -2.349 -5.108 1.00 1.00 H new ATOM 1309 N GLY A 84 -13.932 -4.162 -9.593 1.00 1.00 N ATOM 1310 CA GLY A 84 -13.686 -4.084 -10.999 1.00 1.00 C ATOM 1311 C GLY A 84 -13.085 -2.756 -11.314 1.00 1.00 C ATOM 1312 O GLY A 84 -13.813 -1.785 -11.512 1.00 1.00 O ATOM 0 H GLY A 84 -13.073 -4.189 -9.044 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -13.014 -4.884 -11.309 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -14.616 -4.217 -11.552 1.00 1.00 H new ATOM 1316 N GLU A 85 -11.744 -2.642 -11.332 1.00 1.00 N ATOM 1317 CA GLU A 85 -11.140 -1.350 -11.426 1.00 1.00 C ATOM 1318 C GLU A 85 -9.798 -1.473 -12.062 1.00 1.00 C ATOM 1319 O GLU A 85 -9.577 -2.404 -12.834 1.00 1.00 O ATOM 1320 CB GLU A 85 -11.167 -0.587 -10.091 1.00 1.00 C ATOM 1321 CG GLU A 85 -11.665 0.853 -10.228 1.00 1.00 C ATOM 1322 CD GLU A 85 -12.256 1.475 -8.970 1.00 1.00 C ATOM 1323 OE1 GLU A 85 -12.504 0.770 -7.956 1.00 1.00 O ATOM 1324 OE2 GLU A 85 -12.540 2.703 -9.002 1.00 1.00 O ATOM 0 H GLU A 85 -11.092 -3.425 -11.283 1.00 1.00 H new ATOM 0 HA GLU A 85 -11.736 -0.715 -12.082 1.00 1.00 H new ATOM 0 HB2 GLU A 85 -11.807 -1.120 -9.388 1.00 1.00 H new ATOM 0 HB3 GLU A 85 -10.164 -0.578 -9.665 1.00 1.00 H new ATOM 0 HG2 GLU A 85 -10.834 1.474 -10.561 1.00 1.00 H new ATOM 0 HG3 GLU A 85 -12.420 0.883 -11.014 1.00 1.00 H new ATOM 1331 N THR A 86 -8.848 -0.557 -11.802 1.00 1.00 N ATOM 1332 CA THR A 86 -7.748 -0.323 -12.684 1.00 1.00 C ATOM 1333 C THR A 86 -6.568 0.136 -11.897 1.00 1.00 C ATOM 1334 O THR A 86 -6.732 1.071 -11.116 1.00 1.00 O ATOM 1335 CB THR A 86 -8.091 0.831 -13.579 1.00 1.00 C ATOM 1336 OG1 THR A 86 -9.189 0.513 -14.420 1.00 1.00 O ATOM 1337 CG2 THR A 86 -6.957 1.221 -14.541 1.00 1.00 C ATOM 0 H THR A 86 -8.844 0.029 -10.967 1.00 1.00 H new ATOM 0 HA THR A 86 -7.540 -1.240 -13.235 1.00 1.00 H new ATOM 0 HB THR A 86 -8.304 1.649 -12.891 1.00 1.00 H new ATOM 0 HG1 THR A 86 -9.395 1.281 -14.993 1.00 1.00 H new ATOM 0 HG21 THR A 86 -7.276 2.062 -15.157 1.00 1.00 H new ATOM 0 HG22 THR A 86 -6.075 1.505 -13.967 1.00 1.00 H new ATOM 0 HG23 THR A 86 -6.716 0.373 -15.182 1.00 1.00 H new ATOM 1345 N PHE A 87 -5.353 -0.415 -12.071 1.00 1.00 N ATOM 1346 CA PHE A 87 -4.149 -0.044 -11.395 1.00 1.00 C ATOM 1347 C PHE A 87 -3.856 1.376 -11.052 1.00 1.00 C ATOM 1348 O PHE A 87 -4.218 1.889 -9.994 1.00 1.00 O ATOM 1349 CB PHE A 87 -2.908 -0.706 -12.019 1.00 1.00 C ATOM 1350 CG PHE A 87 -2.568 -0.575 -13.464 1.00 1.00 C ATOM 1351 CD1 PHE A 87 -3.337 0.050 -14.419 1.00 1.00 C ATOM 1352 CD2 PHE A 87 -1.402 -1.180 -13.865 1.00 1.00 C ATOM 1353 CE1 PHE A 87 -2.962 0.054 -15.742 1.00 1.00 C ATOM 1354 CE2 PHE A 87 -1.016 -1.191 -15.184 1.00 1.00 C ATOM 1355 CZ PHE A 87 -1.801 -0.572 -16.128 1.00 1.00 C ATOM 0 H PHE A 87 -5.203 -1.176 -12.734 1.00 1.00 H new ATOM 0 HA PHE A 87 -4.394 -0.444 -10.411 1.00 1.00 H new ATOM 0 HB2 PHE A 87 -2.046 -0.338 -11.462 1.00 1.00 H new ATOM 0 HB3 PHE A 87 -2.989 -1.773 -11.814 1.00 1.00 H new ATOM 0 HD1 PHE A 87 -4.250 0.546 -14.124 1.00 1.00 H new ATOM 0 HD2 PHE A 87 -0.774 -1.658 -13.127 1.00 1.00 H new ATOM 0 HE1 PHE A 87 -3.579 0.549 -16.477 1.00 1.00 H new ATOM 0 HE2 PHE A 87 -0.101 -1.683 -15.478 1.00 1.00 H new ATOM 0 HZ PHE A 87 -1.507 -0.578 -17.167 1.00 1.00 H new ATOM 1365 N TRP A 88 -3.158 2.099 -11.946 1.00 1.00 N ATOM 1366 CA TRP A 88 -2.672 3.424 -11.723 1.00 1.00 C ATOM 1367 C TRP A 88 -3.761 4.421 -11.520 1.00 1.00 C ATOM 1368 O TRP A 88 -3.602 5.405 -10.799 1.00 1.00 O ATOM 1369 CB TRP A 88 -1.778 3.848 -12.900 1.00 1.00 C ATOM 1370 CG TRP A 88 -0.546 3.001 -13.117 1.00 1.00 C ATOM 1371 CD1 TRP A 88 -0.283 2.122 -14.127 1.00 1.00 C ATOM 1372 CD2 TRP A 88 0.612 2.984 -12.261 1.00 1.00 C ATOM 1373 NE1 TRP A 88 0.944 1.539 -13.944 1.00 1.00 N ATOM 1374 CE2 TRP A 88 1.516 2.071 -12.814 1.00 1.00 C ATOM 1375 CE3 TRP A 88 0.913 3.666 -11.113 1.00 1.00 C ATOM 1376 CZ2 TRP A 88 2.724 1.833 -12.216 1.00 1.00 C ATOM 1377 CZ3 TRP A 88 2.132 3.421 -10.525 1.00 1.00 C ATOM 1378 CH2 TRP A 88 3.022 2.522 -11.063 1.00 1.00 C ATOM 0 H TRP A 88 -2.921 1.740 -12.871 1.00 1.00 H new ATOM 0 HA TRP A 88 -2.096 3.404 -10.798 1.00 1.00 H new ATOM 0 HB2 TRP A 88 -2.375 3.831 -13.812 1.00 1.00 H new ATOM 0 HB3 TRP A 88 -1.465 4.880 -12.743 1.00 1.00 H new ATOM 0 HD1 TRP A 88 -0.947 1.915 -14.953 1.00 1.00 H new ATOM 0 HE1 TRP A 88 1.362 0.829 -14.546 1.00 1.00 H new ATOM 0 HE3 TRP A 88 0.217 4.372 -10.684 1.00 1.00 H new ATOM 0 HZ2 TRP A 88 3.423 1.125 -12.637 1.00 1.00 H new ATOM 0 HZ3 TRP A 88 2.396 3.947 -9.620 1.00 1.00 H new ATOM 0 HH2 TRP A 88 3.970 2.354 -10.573 1.00 1.00 H new ATOM 1389 N ASP A 89 -4.938 4.151 -12.111 1.00 1.00 N ATOM 1390 CA ASP A 89 -6.140 4.917 -11.986 1.00 1.00 C ATOM 1391 C ASP A 89 -6.734 4.832 -10.622 1.00 1.00 C ATOM 1392 O ASP A 89 -7.111 5.845 -10.037 1.00 1.00 O ATOM 1393 CB ASP A 89 -7.122 4.427 -13.064 1.00 1.00 C ATOM 1394 CG ASP A 89 -8.096 5.511 -13.504 1.00 1.00 C ATOM 1395 OD1 ASP A 89 -9.092 5.785 -12.785 1.00 1.00 O ATOM 1396 OD2 ASP A 89 -7.885 6.081 -14.607 1.00 1.00 O ATOM 0 H ASP A 89 -5.058 3.341 -12.719 1.00 1.00 H new ATOM 0 HA ASP A 89 -5.912 5.973 -12.133 1.00 1.00 H new ATOM 0 HB2 ASP A 89 -6.560 4.075 -13.929 1.00 1.00 H new ATOM 0 HB3 ASP A 89 -7.682 3.575 -12.680 1.00 1.00 H new ATOM 1401 N LEU A 90 -6.805 3.631 -10.020 1.00 1.00 N ATOM 1402 CA LEU A 90 -7.307 3.434 -8.696 1.00 1.00 C ATOM 1403 C LEU A 90 -6.422 4.080 -7.687 1.00 1.00 C ATOM 1404 O LEU A 90 -6.871 4.770 -6.773 1.00 1.00 O ATOM 1405 CB LEU A 90 -7.415 1.954 -8.288 1.00 1.00 C ATOM 1406 CG LEU A 90 -7.922 1.720 -6.856 1.00 1.00 C ATOM 1407 CD1 LEU A 90 -9.278 2.387 -6.575 1.00 1.00 C ATOM 1408 CD2 LEU A 90 -8.032 0.225 -6.513 1.00 1.00 C ATOM 0 H LEU A 90 -6.502 2.768 -10.471 1.00 1.00 H new ATOM 0 HA LEU A 90 -8.302 3.878 -8.715 1.00 1.00 H new ATOM 0 HB2 LEU A 90 -8.084 1.447 -8.983 1.00 1.00 H new ATOM 0 HB3 LEU A 90 -6.435 1.489 -8.393 1.00 1.00 H new ATOM 0 HG LEU A 90 -7.169 2.186 -6.221 1.00 1.00 H new ATOM 0 HD11 LEU A 90 -9.578 2.183 -5.547 1.00 1.00 H new ATOM 0 HD12 LEU A 90 -9.191 3.464 -6.720 1.00 1.00 H new ATOM 0 HD13 LEU A 90 -10.028 1.988 -7.258 1.00 1.00 H new ATOM 0 HD21 LEU A 90 -8.394 0.112 -5.491 1.00 1.00 H new ATOM 0 HD22 LEU A 90 -8.728 -0.256 -7.200 1.00 1.00 H new ATOM 0 HD23 LEU A 90 -7.052 -0.242 -6.604 1.00 1.00 H new ATOM 1420 N LEU A 91 -5.099 3.886 -7.838 1.00 1.00 N ATOM 1421 CA LEU A 91 -4.093 4.492 -7.023 1.00 1.00 C ATOM 1422 C LEU A 91 -4.171 5.981 -6.992 1.00 1.00 C ATOM 1423 O LEU A 91 -4.107 6.606 -5.935 1.00 1.00 O ATOM 1424 CB LEU A 91 -2.700 4.033 -7.486 1.00 1.00 C ATOM 1425 CG LEU A 91 -1.537 4.392 -6.546 1.00 1.00 C ATOM 1426 CD1 LEU A 91 -1.636 3.677 -5.189 1.00 1.00 C ATOM 1427 CD2 LEU A 91 -0.191 4.067 -7.214 1.00 1.00 C ATOM 0 H LEU A 91 -4.714 3.279 -8.562 1.00 1.00 H new ATOM 0 HA LEU A 91 -4.273 4.160 -6.000 1.00 1.00 H new ATOM 0 HB2 LEU A 91 -2.718 2.951 -7.616 1.00 1.00 H new ATOM 0 HB3 LEU A 91 -2.500 4.468 -8.465 1.00 1.00 H new ATOM 0 HG LEU A 91 -1.602 5.463 -6.354 1.00 1.00 H new ATOM 0 HD11 LEU A 91 -0.791 3.965 -4.563 1.00 1.00 H new ATOM 0 HD12 LEU A 91 -2.566 3.960 -4.696 1.00 1.00 H new ATOM 0 HD13 LEU A 91 -1.621 2.598 -5.344 1.00 1.00 H new ATOM 0 HD21 LEU A 91 0.623 4.326 -6.537 1.00 1.00 H new ATOM 0 HD22 LEU A 91 -0.147 3.002 -7.444 1.00 1.00 H new ATOM 0 HD23 LEU A 91 -0.094 4.642 -8.135 1.00 1.00 H new ATOM 1439 N GLU A 92 -4.393 6.602 -8.163 1.00 1.00 N ATOM 1440 CA GLU A 92 -4.642 7.999 -8.346 1.00 1.00 C ATOM 1441 C GLU A 92 -5.864 8.468 -7.634 1.00 1.00 C ATOM 1442 O GLU A 92 -5.839 9.463 -6.913 1.00 1.00 O ATOM 1443 CB GLU A 92 -4.750 8.319 -9.845 1.00 1.00 C ATOM 1444 CG GLU A 92 -4.901 9.798 -10.207 1.00 1.00 C ATOM 1445 CD GLU A 92 -5.144 9.982 -11.698 1.00 1.00 C ATOM 1446 OE1 GLU A 92 -4.161 10.075 -12.480 1.00 1.00 O ATOM 1447 OE2 GLU A 92 -6.331 10.043 -12.114 1.00 1.00 O ATOM 0 H GLU A 92 -4.399 6.091 -9.046 1.00 1.00 H new ATOM 0 HA GLU A 92 -3.798 8.533 -7.910 1.00 1.00 H new ATOM 0 HB2 GLU A 92 -3.861 7.933 -10.344 1.00 1.00 H new ATOM 0 HB3 GLU A 92 -5.604 7.777 -10.251 1.00 1.00 H new ATOM 0 HG2 GLU A 92 -5.730 10.229 -9.646 1.00 1.00 H new ATOM 0 HG3 GLU A 92 -4.002 10.340 -9.914 1.00 1.00 H new ATOM 1454 N GLN A 93 -6.983 7.734 -7.777 1.00 1.00 N ATOM 1455 CA GLN A 93 -8.245 7.971 -7.149 1.00 1.00 C ATOM 1456 C GLN A 93 -8.178 7.960 -5.661 1.00 1.00 C ATOM 1457 O GLN A 93 -8.560 8.925 -5.001 1.00 1.00 O ATOM 1458 CB GLN A 93 -9.248 6.908 -7.628 1.00 1.00 C ATOM 1459 CG GLN A 93 -10.701 7.141 -7.210 1.00 1.00 C ATOM 1460 CD GLN A 93 -11.603 6.114 -7.879 1.00 1.00 C ATOM 1461 OE1 GLN A 93 -12.321 6.414 -8.833 1.00 1.00 O ATOM 1462 NE2 GLN A 93 -11.556 4.846 -7.389 1.00 1.00 N ATOM 0 H GLN A 93 -7.004 6.911 -8.379 1.00 1.00 H new ATOM 0 HA GLN A 93 -8.565 8.973 -7.437 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -9.205 6.856 -8.716 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -8.930 5.936 -7.250 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -10.793 7.068 -6.126 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -11.012 8.148 -7.489 1.00 1.00 H new ATOM 0 HE21 GLN A 93 -10.951 4.627 -6.597 1.00 1.00 H new ATOM 0 HE22 GLN A 93 -12.125 4.114 -7.813 1.00 1.00 H new ATOM 1471 N ALA A 94 -7.645 6.874 -5.074 1.00 1.00 N ATOM 1472 CA ALA A 94 -7.387 6.663 -3.684 1.00 1.00 C ATOM 1473 C ALA A 94 -6.560 7.725 -3.047 1.00 1.00 C ATOM 1474 O ALA A 94 -6.830 8.191 -1.940 1.00 1.00 O ATOM 1475 CB ALA A 94 -6.669 5.307 -3.588 1.00 1.00 C ATOM 0 H ALA A 94 -7.368 6.065 -5.630 1.00 1.00 H new ATOM 0 HA ALA A 94 -8.333 6.687 -3.142 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -6.444 5.088 -2.544 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -7.312 4.525 -3.992 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -5.741 5.345 -4.159 1.00 1.00 H new ATOM 1481 N ALA A 95 -5.509 8.187 -3.749 1.00 1.00 N ATOM 1482 CA ALA A 95 -4.629 9.223 -3.304 1.00 1.00 C ATOM 1483 C ALA A 95 -5.206 10.596 -3.352 1.00 1.00 C ATOM 1484 O ALA A 95 -5.203 11.308 -2.349 1.00 1.00 O ATOM 1485 CB ALA A 95 -3.319 9.140 -4.105 1.00 1.00 C ATOM 0 H ALA A 95 -5.262 7.821 -4.669 1.00 1.00 H new ATOM 0 HA ALA A 95 -4.444 9.047 -2.244 1.00 1.00 H new ATOM 0 HB1 ALA A 95 -2.640 9.926 -3.774 1.00 1.00 H new ATOM 0 HB2 ALA A 95 -2.855 8.167 -3.943 1.00 1.00 H new ATOM 0 HB3 ALA A 95 -3.533 9.268 -5.166 1.00 1.00 H new ATOM 1491 N THR A 96 -5.774 11.055 -4.482 1.00 1.00 N ATOM 1492 CA THR A 96 -6.432 12.317 -4.618 1.00 1.00 C ATOM 1493 C THR A 96 -7.617 12.483 -3.733 1.00 1.00 C ATOM 1494 O THR A 96 -7.977 13.576 -3.300 1.00 1.00 O ATOM 1495 CB THR A 96 -6.787 12.640 -6.039 1.00 1.00 C ATOM 1496 OG1 THR A 96 -6.914 14.039 -6.248 1.00 1.00 O ATOM 1497 CG2 THR A 96 -8.082 11.988 -6.553 1.00 1.00 C ATOM 0 H THR A 96 -5.774 10.515 -5.348 1.00 1.00 H new ATOM 0 HA THR A 96 -5.688 13.039 -4.283 1.00 1.00 H new ATOM 0 HB THR A 96 -5.951 12.224 -6.600 1.00 1.00 H new ATOM 0 HG1 THR A 96 -6.042 14.469 -6.125 1.00 1.00 H new ATOM 0 HG21 THR A 96 -8.251 12.282 -7.589 1.00 1.00 H new ATOM 0 HG22 THR A 96 -7.991 10.903 -6.494 1.00 1.00 H new ATOM 0 HG23 THR A 96 -8.922 12.316 -5.941 1.00 1.00 H new ATOM 1505 N GLN A 97 -8.230 11.340 -3.373 1.00 1.00 N ATOM 1506 CA GLN A 97 -9.226 11.197 -2.357 1.00 1.00 C ATOM 1507 C GLN A 97 -8.713 11.552 -1.004 1.00 1.00 C ATOM 1508 O GLN A 97 -9.110 12.565 -0.431 1.00 1.00 O ATOM 1509 CB GLN A 97 -9.761 9.756 -2.377 1.00 1.00 C ATOM 1510 CG GLN A 97 -10.688 9.268 -1.262 1.00 1.00 C ATOM 1511 CD GLN A 97 -12.060 9.924 -1.324 1.00 1.00 C ATOM 1512 OE1 GLN A 97 -12.489 10.643 -0.422 1.00 1.00 O ATOM 1513 NE2 GLN A 97 -12.808 9.645 -2.423 1.00 1.00 N ATOM 0 H GLN A 97 -8.012 10.453 -3.826 1.00 1.00 H new ATOM 0 HA GLN A 97 -10.034 11.896 -2.572 1.00 1.00 H new ATOM 0 HB2 GLN A 97 -10.289 9.620 -3.321 1.00 1.00 H new ATOM 0 HB3 GLN A 97 -8.898 9.090 -2.396 1.00 1.00 H new ATOM 0 HG2 GLN A 97 -10.801 8.186 -1.334 1.00 1.00 H new ATOM 0 HG3 GLN A 97 -10.231 9.477 -0.295 1.00 1.00 H new ATOM 0 HE21 GLN A 97 -12.431 9.046 -3.158 1.00 1.00 H new ATOM 0 HE22 GLN A 97 -13.747 10.034 -2.513 1.00 1.00 H new ATOM 1522 N GLN A 98 -7.817 10.739 -0.416 1.00 1.00 N ATOM 1523 CA GLN A 98 -7.356 10.965 0.919 1.00 1.00 C ATOM 1524 C GLN A 98 -6.349 12.049 1.098 1.00 1.00 C ATOM 1525 O GLN A 98 -6.482 12.898 1.977 1.00 1.00 O ATOM 1526 CB GLN A 98 -6.794 9.678 1.546 1.00 1.00 C ATOM 1527 CG GLN A 98 -7.845 8.570 1.646 1.00 1.00 C ATOM 1528 CD GLN A 98 -7.565 7.667 2.838 1.00 1.00 C ATOM 1529 OE1 GLN A 98 -6.695 6.799 2.822 1.00 1.00 O ATOM 1530 NE2 GLN A 98 -8.323 7.890 3.946 1.00 1.00 N ATOM 0 H GLN A 98 -7.410 9.920 -0.868 1.00 1.00 H new ATOM 0 HA GLN A 98 -8.259 11.301 1.429 1.00 1.00 H new ATOM 0 HB2 GLN A 98 -5.953 9.324 0.950 1.00 1.00 H new ATOM 0 HB3 GLN A 98 -6.409 9.900 2.541 1.00 1.00 H new ATOM 0 HG2 GLN A 98 -8.837 9.011 1.743 1.00 1.00 H new ATOM 0 HG3 GLN A 98 -7.847 7.980 0.729 1.00 1.00 H new ATOM 0 HE21 GLN A 98 -9.039 8.616 3.936 1.00 1.00 H new ATOM 0 HE22 GLN A 98 -8.175 7.331 4.786 1.00 1.00 H new ATOM 1539 N ALA A 99 -5.281 12.086 0.282 1.00 1.00 N ATOM 1540 CA ALA A 99 -4.226 13.046 0.393 1.00 1.00 C ATOM 1541 C ALA A 99 -4.647 14.397 -0.074 1.00 1.00 C ATOM 1542 O ALA A 99 -4.267 15.415 0.503 1.00 1.00 O ATOM 1543 CB ALA A 99 -2.989 12.581 -0.395 1.00 1.00 C ATOM 0 H ALA A 99 -5.147 11.424 -0.482 1.00 1.00 H new ATOM 0 HA ALA A 99 -3.973 13.124 1.450 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -2.197 13.323 -0.299 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -2.642 11.627 0.002 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -3.251 12.463 -1.447 1.00 1.00 H new ATOM 1549 N GLY A 100 -5.480 14.441 -1.128 1.00 1.00 N ATOM 1550 CA GLY A 100 -6.109 15.636 -1.599 1.00 1.00 C ATOM 1551 C GLY A 100 -5.352 16.334 -2.677 1.00 1.00 C ATOM 1552 O GLY A 100 -5.428 17.556 -2.801 1.00 1.00 O ATOM 0 H GLY A 100 -5.725 13.614 -1.673 1.00 1.00 H new ATOM 0 HA2 GLY A 100 -7.104 15.389 -1.969 1.00 1.00 H new ATOM 0 HA3 GLY A 100 -6.241 16.320 -0.760 1.00 1.00 H new ATOM 1556 N GLU A 101 -4.571 15.587 -3.478 1.00 1.00 N ATOM 1557 CA GLU A 101 -3.688 16.168 -4.442 1.00 1.00 C ATOM 1558 C GLU A 101 -3.578 15.318 -5.660 1.00 1.00 C ATOM 1559 O GLU A 101 -3.965 14.150 -5.663 1.00 1.00 O ATOM 1560 CB GLU A 101 -2.252 16.310 -3.913 1.00 1.00 C ATOM 1561 CG GLU A 101 -2.129 17.070 -2.591 1.00 1.00 C ATOM 1562 CD GLU A 101 -0.681 17.455 -2.324 1.00 1.00 C ATOM 1563 OE1 GLU A 101 -0.069 18.115 -3.207 1.00 1.00 O ATOM 1564 OE2 GLU A 101 -0.114 17.063 -1.269 1.00 1.00 O ATOM 0 H GLU A 101 -4.552 14.567 -3.457 1.00 1.00 H new ATOM 0 HA GLU A 101 -4.120 17.144 -4.663 1.00 1.00 H new ATOM 0 HB2 GLU A 101 -1.827 15.315 -3.785 1.00 1.00 H new ATOM 0 HB3 GLU A 101 -1.651 16.819 -4.666 1.00 1.00 H new ATOM 0 HG2 GLU A 101 -2.749 17.966 -2.622 1.00 1.00 H new ATOM 0 HG3 GLU A 101 -2.503 16.452 -1.775 1.00 1.00 H new ATOM 1571 N THR A 102 -2.967 15.845 -6.736 1.00 1.00 N ATOM 1572 CA THR A 102 -2.680 15.088 -7.916 1.00 1.00 C ATOM 1573 C THR A 102 -1.468 14.244 -7.716 1.00 1.00 C ATOM 1574 O THR A 102 -0.361 14.553 -8.155 1.00 1.00 O ATOM 1575 CB THR A 102 -2.527 15.895 -9.171 1.00 1.00 C ATOM 1576 OG1 THR A 102 -3.568 16.858 -9.244 1.00 1.00 O ATOM 1577 CG2 THR A 102 -2.635 14.983 -10.404 1.00 1.00 C ATOM 0 H THR A 102 -2.666 16.818 -6.788 1.00 1.00 H new ATOM 0 HA THR A 102 -3.564 14.469 -8.067 1.00 1.00 H new ATOM 0 HB THR A 102 -1.552 16.383 -9.153 1.00 1.00 H new ATOM 0 HG1 THR A 102 -3.468 17.387 -10.063 1.00 1.00 H new ATOM 0 HG21 THR A 102 -2.522 15.580 -11.309 1.00 1.00 H new ATOM 0 HG22 THR A 102 -1.850 14.228 -10.368 1.00 1.00 H new ATOM 0 HG23 THR A 102 -3.609 14.494 -10.411 1.00 1.00 H new ATOM 1585 N VAL A 103 -1.673 13.114 -7.017 1.00 1.00 N ATOM 1586 CA VAL A 103 -0.720 12.076 -6.772 1.00 1.00 C ATOM 1587 C VAL A 103 -0.901 11.064 -7.851 1.00 1.00 C ATOM 1588 O VAL A 103 -1.752 10.178 -7.806 1.00 1.00 O ATOM 1589 CB VAL A 103 -0.934 11.433 -5.434 1.00 1.00 C ATOM 1590 CG1 VAL A 103 0.145 10.373 -5.156 1.00 1.00 C ATOM 1591 CG2 VAL A 103 -0.913 12.497 -4.323 1.00 1.00 C ATOM 0 H VAL A 103 -2.577 12.911 -6.590 1.00 1.00 H new ATOM 0 HA VAL A 103 0.288 12.490 -6.769 1.00 1.00 H new ATOM 0 HB VAL A 103 -1.908 10.944 -5.446 1.00 1.00 H new ATOM 0 HG11 VAL A 103 -0.032 9.921 -4.180 1.00 1.00 H new ATOM 0 HG12 VAL A 103 0.105 9.602 -5.926 1.00 1.00 H new ATOM 0 HG13 VAL A 103 1.128 10.844 -5.165 1.00 1.00 H new ATOM 0 HG21 VAL A 103 -1.069 12.017 -3.357 1.00 1.00 H new ATOM 0 HG22 VAL A 103 0.051 13.005 -4.324 1.00 1.00 H new ATOM 0 HG23 VAL A 103 -1.706 13.224 -4.500 1.00 1.00 H new ATOM 1601 N SER A 104 -0.105 11.219 -8.925 1.00 1.00 N ATOM 1602 CA SER A 104 -0.195 10.410 -10.100 1.00 1.00 C ATOM 1603 C SER A 104 1.163 10.095 -10.625 1.00 1.00 C ATOM 1604 O SER A 104 2.167 10.677 -10.217 1.00 1.00 O ATOM 1605 CB SER A 104 -1.057 11.056 -11.197 1.00 1.00 C ATOM 1606 OG SER A 104 -1.429 10.118 -12.196 1.00 1.00 O ATOM 0 H SER A 104 0.624 11.930 -8.977 1.00 1.00 H new ATOM 0 HA SER A 104 -0.690 9.484 -9.808 1.00 1.00 H new ATOM 0 HB2 SER A 104 -1.953 11.485 -10.749 1.00 1.00 H new ATOM 0 HB3 SER A 104 -0.506 11.877 -11.656 1.00 1.00 H new ATOM 0 HG SER A 104 -2.406 10.085 -12.266 1.00 1.00 H new ATOM 1612 N PHE A 105 1.230 9.119 -11.548 1.00 1.00 N ATOM 1613 CA PHE A 105 2.418 8.720 -12.237 1.00 1.00 C ATOM 1614 C PHE A 105 2.232 8.899 -13.705 1.00 1.00 C ATOM 1615 O PHE A 105 3.201 8.855 -14.460 1.00 1.00 O ATOM 1616 CB PHE A 105 2.842 7.330 -11.736 1.00 1.00 C ATOM 1617 CG PHE A 105 3.309 6.328 -12.735 1.00 1.00 C ATOM 1618 CD1 PHE A 105 2.393 5.643 -13.497 1.00 1.00 C ATOM 1619 CD2 PHE A 105 4.648 6.062 -12.905 1.00 1.00 C ATOM 1620 CE1 PHE A 105 2.802 4.726 -14.437 1.00 1.00 C ATOM 1621 CE2 PHE A 105 5.069 5.141 -13.835 1.00 1.00 C ATOM 1622 CZ PHE A 105 4.144 4.477 -14.606 1.00 1.00 C ATOM 0 H PHE A 105 0.411 8.579 -11.828 1.00 1.00 H new ATOM 0 HA PHE A 105 3.274 9.356 -12.014 1.00 1.00 H new ATOM 0 HB2 PHE A 105 3.641 7.469 -11.007 1.00 1.00 H new ATOM 0 HB3 PHE A 105 1.996 6.897 -11.203 1.00 1.00 H new ATOM 0 HD1 PHE A 105 1.338 5.827 -13.356 1.00 1.00 H new ATOM 0 HD2 PHE A 105 5.377 6.582 -12.301 1.00 1.00 H new ATOM 0 HE1 PHE A 105 2.073 4.204 -15.039 1.00 1.00 H new ATOM 0 HE2 PHE A 105 6.123 4.940 -13.960 1.00 1.00 H new ATOM 0 HZ PHE A 105 4.471 3.760 -15.344 1.00 1.00 H new ATOM 1632 N ARG A 106 0.998 9.124 -14.190 1.00 1.00 N ATOM 1633 CA ARG A 106 0.714 9.186 -15.590 1.00 1.00 C ATOM 1634 C ARG A 106 0.552 10.621 -16.072 1.00 1.00 C ATOM 1635 O ARG A 106 -0.396 11.328 -15.638 1.00 1.00 O ATOM 1636 CB ARG A 106 -0.549 8.378 -15.937 1.00 1.00 C ATOM 1637 CG ARG A 106 -0.409 6.891 -15.602 1.00 1.00 C ATOM 1638 CD ARG A 106 -1.508 5.985 -16.158 1.00 1.00 C ATOM 1639 NE ARG A 106 -2.782 6.325 -15.462 1.00 1.00 N ATOM 1640 CZ ARG A 106 -3.981 5.725 -15.714 1.00 1.00 C ATOM 1641 NH1 ARG A 106 -4.067 4.574 -16.444 1.00 1.00 N ATOM 1642 NH2 ARG A 106 -5.106 6.299 -15.198 1.00 1.00 N ATOM 1643 OXT ARG A 106 1.359 11.079 -16.924 1.00 1.00 O ATOM 0 H ARG A 106 0.180 9.266 -13.597 1.00 1.00 H new ATOM 0 HA ARG A 106 1.569 8.747 -16.103 1.00 1.00 H new ATOM 0 HB2 ARG A 106 -1.400 8.790 -15.394 1.00 1.00 H new ATOM 0 HB3 ARG A 106 -0.765 8.488 -17.000 1.00 1.00 H new ATOM 0 HG2 ARG A 106 0.552 6.540 -15.979 1.00 1.00 H new ATOM 0 HG3 ARG A 106 -0.386 6.781 -14.518 1.00 1.00 H new ATOM 0 HD2 ARG A 106 -1.612 6.128 -17.234 1.00 1.00 H new ATOM 0 HD3 ARG A 106 -1.255 4.937 -15.999 1.00 1.00 H new ATOM 0 HE ARG A 106 -2.755 7.055 -14.750 1.00 1.00 H new ATOM 0 HH11 ARG A 106 -3.221 4.142 -16.816 1.00 1.00 H new ATOM 0 HH12 ARG A 106 -4.977 4.147 -16.617 1.00 1.00 H new ATOM 0 HH21 ARG A 106 -5.035 7.151 -14.642 1.00 1.00 H new ATOM 0 HH22 ARG A 106 -6.018 5.876 -15.368 1.00 1.00 H new