USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 749 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 83 ASN : amide:sc= -2.01 X(o=-1.5,f=-1.7) USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= 0.472 USER MOD Set 2.1: A 17 ASN :FLIP amide:sc= -1.04 F(o=-3.4!,f=-1) USER MOD Set 2.2: A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0221 X(o=-0.022,f=0) USER MOD Single : A 29 SER OG : rot 151:sc= 1.14 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.845 USER MOD Single : A 33 TYR OH : rot -136:sc= -3.28! USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.17 K(o=-1.2,f=-2.1!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -8.66! C(o=-8.7!,f=-8.3!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -44:sc= -3.96! USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.903 K(o=-0.9,f=-2.1!) USER MOD Single : A 68 SER OG : rot 19:sc= 0.481! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -1.28 X(o=-1.3,f=-1) USER MOD Single : A 73 SER OG : rot 180:sc= 0.108 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0565 X(o=-0.056,f=-0.056) USER MOD Single : A 82 HIS : no HE2:sc= -2.61 K(o=-2.6,f=-3.5) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 73:sc= 1.58 USER MOD Single : A 97 TYR OH : rot -124:sc= -3.45 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -7.24! C(o=-7.2!,f=-17!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 81:sc= 0.887 USER MOD Single : A 108 ASN : amide:sc= -2.4 K(o=-2.4,f=-5.2!) USER MOD Single : A 109 SER OG : rot -160:sc= -6.42! USER MOD Single : A 114 SER OG : rot -25:sc= -4.02! USER MOD Single : A 119 SER OG : rot -150:sc= -1.63! USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.282 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 25 N ARG A 8 30.135 3.445 -3.017 1.00 0.00 N ATOM 26 CA ARG A 8 28.808 2.897 -3.193 1.00 0.00 C ATOM 27 C ARG A 8 28.604 1.630 -2.368 1.00 0.00 C ATOM 28 O ARG A 8 29.555 1.053 -1.841 1.00 0.00 O ATOM 29 CB ARG A 8 28.558 2.615 -4.667 1.00 0.00 C ATOM 30 CG ARG A 8 29.217 3.609 -5.611 1.00 0.00 C ATOM 31 CD ARG A 8 28.338 3.897 -6.817 1.00 0.00 C ATOM 32 NE ARG A 8 29.070 3.766 -8.073 1.00 0.00 N ATOM 33 CZ ARG A 8 29.885 4.701 -8.550 1.00 0.00 C ATOM 34 NH1 ARG A 8 30.070 5.828 -7.877 1.00 0.00 N ATOM 35 NH2 ARG A 8 30.516 4.510 -9.700 1.00 0.00 N ATOM 0 HA ARG A 8 28.090 3.636 -2.838 1.00 0.00 H new ATOM 0 HB2 ARG A 8 28.920 1.614 -4.901 1.00 0.00 H new ATOM 0 HB3 ARG A 8 27.483 2.616 -4.849 1.00 0.00 H new ATOM 0 HG2 ARG A 8 29.422 4.538 -5.078 1.00 0.00 H new ATOM 0 HG3 ARG A 8 30.177 3.215 -5.945 1.00 0.00 H new ATOM 0 HD2 ARG A 8 27.490 3.212 -6.819 1.00 0.00 H new ATOM 0 HD3 ARG A 8 27.933 4.906 -6.737 1.00 0.00 H new ATOM 0 HE ARG A 8 28.949 2.910 -8.614 1.00 0.00 H new ATOM 0 HH11 ARG A 8 29.586 5.979 -6.992 1.00 0.00 H new ATOM 0 HH12 ARG A 8 30.696 6.545 -8.245 1.00 0.00 H new ATOM 0 HH21 ARG A 8 30.376 3.644 -10.221 1.00 0.00 H new ATOM 0 HH22 ARG A 8 31.141 5.229 -10.064 1.00 0.00 H new ATOM 49 N CYS A 9 27.347 1.215 -2.250 1.00 0.00 N ATOM 50 CA CYS A 9 26.992 0.026 -1.488 1.00 0.00 C ATOM 51 C CYS A 9 26.686 -1.141 -2.423 1.00 0.00 C ATOM 52 O CYS A 9 26.457 -0.944 -3.616 1.00 0.00 O ATOM 53 CB CYS A 9 25.779 0.322 -0.605 1.00 0.00 C ATOM 54 SG CYS A 9 26.175 1.232 0.923 1.00 0.00 S ATOM 0 H CYS A 9 26.552 1.690 -2.677 1.00 0.00 H new ATOM 0 HA CYS A 9 27.838 -0.251 -0.858 1.00 0.00 H new ATOM 0 HB2 CYS A 9 25.056 0.899 -1.181 1.00 0.00 H new ATOM 0 HB3 CYS A 9 25.298 -0.619 -0.340 1.00 0.00 H new ATOM 59 N PRO A 10 26.679 -2.376 -1.895 1.00 0.00 N ATOM 60 CA PRO A 10 26.402 -3.568 -2.699 1.00 0.00 C ATOM 61 C PRO A 10 24.960 -3.605 -3.189 1.00 0.00 C ATOM 62 O PRO A 10 24.138 -2.778 -2.792 1.00 0.00 O ATOM 63 CB PRO A 10 26.683 -4.728 -1.744 1.00 0.00 C ATOM 64 CG PRO A 10 26.527 -4.150 -0.383 1.00 0.00 C ATOM 65 CD PRO A 10 26.941 -2.708 -0.485 1.00 0.00 C ATOM 0 HA PRO A 10 27.010 -3.601 -3.603 1.00 0.00 H new ATOM 0 HB2 PRO A 10 25.986 -5.551 -1.906 1.00 0.00 H new ATOM 0 HB3 PRO A 10 27.687 -5.127 -1.891 1.00 0.00 H new ATOM 0 HG2 PRO A 10 25.496 -4.235 -0.041 1.00 0.00 H new ATOM 0 HG3 PRO A 10 27.147 -4.682 0.338 1.00 0.00 H new ATOM 0 HD2 PRO A 10 26.364 -2.076 0.190 1.00 0.00 H new ATOM 0 HD3 PRO A 10 27.992 -2.573 -0.229 1.00 0.00 H new ATOM 73 N SER A 11 24.661 -4.559 -4.063 1.00 0.00 N ATOM 74 CA SER A 11 23.321 -4.688 -4.626 1.00 0.00 C ATOM 75 C SER A 11 22.254 -4.647 -3.531 1.00 0.00 C ATOM 76 O SER A 11 22.058 -5.628 -2.814 1.00 0.00 O ATOM 77 CB SER A 11 23.204 -5.992 -5.417 1.00 0.00 C ATOM 78 OG SER A 11 22.400 -5.819 -6.571 1.00 0.00 O ATOM 0 H SER A 11 25.328 -5.255 -4.397 1.00 0.00 H new ATOM 0 HA SER A 11 23.156 -3.844 -5.295 1.00 0.00 H new ATOM 0 HB2 SER A 11 24.197 -6.334 -5.710 1.00 0.00 H new ATOM 0 HB3 SER A 11 22.774 -6.768 -4.783 1.00 0.00 H new ATOM 0 HG SER A 11 22.343 -6.666 -7.060 1.00 0.00 H new ATOM 84 N PRO A 12 21.538 -3.514 -3.392 1.00 0.00 N ATOM 85 CA PRO A 12 20.501 -3.369 -2.375 1.00 0.00 C ATOM 86 C PRO A 12 19.523 -4.538 -2.384 1.00 0.00 C ATOM 87 O PRO A 12 19.375 -5.229 -3.392 1.00 0.00 O ATOM 88 CB PRO A 12 19.774 -2.070 -2.742 1.00 0.00 C ATOM 89 CG PRO A 12 20.426 -1.533 -3.974 1.00 0.00 C ATOM 90 CD PRO A 12 21.701 -2.295 -4.194 1.00 0.00 C ATOM 0 HA PRO A 12 20.932 -3.349 -1.374 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.715 -2.258 -2.918 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.839 -1.349 -1.927 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.764 -1.641 -4.833 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.633 -0.469 -3.863 1.00 0.00 H new ATOM 0 HD2 PRO A 12 21.848 -2.529 -5.248 1.00 0.00 H new ATOM 0 HD3 PRO A 12 22.569 -1.720 -3.872 1.00 0.00 H new ATOM 98 N ARG A 13 18.861 -4.756 -1.253 1.00 0.00 N ATOM 99 CA ARG A 13 17.884 -5.828 -1.137 1.00 0.00 C ATOM 100 C ARG A 13 16.592 -5.441 -1.834 1.00 0.00 C ATOM 101 O ARG A 13 16.377 -4.274 -2.153 1.00 0.00 O ATOM 102 CB ARG A 13 17.616 -6.140 0.334 1.00 0.00 C ATOM 103 CG ARG A 13 18.411 -7.323 0.858 1.00 0.00 C ATOM 104 CD ARG A 13 17.640 -8.070 1.929 1.00 0.00 C ATOM 105 NE ARG A 13 18.092 -9.451 2.071 1.00 0.00 N ATOM 106 CZ ARG A 13 17.554 -10.318 2.923 1.00 0.00 C ATOM 107 NH1 ARG A 13 16.549 -9.945 3.705 1.00 0.00 N ATOM 108 NH2 ARG A 13 18.019 -11.557 2.995 1.00 0.00 N ATOM 0 H ARG A 13 18.984 -4.204 -0.404 1.00 0.00 H new ATOM 0 HA ARG A 13 18.286 -6.720 -1.618 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.852 -5.260 0.932 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.553 -6.340 0.467 1.00 0.00 H new ATOM 0 HG2 ARG A 13 18.646 -8.000 0.036 1.00 0.00 H new ATOM 0 HG3 ARG A 13 19.360 -6.975 1.265 1.00 0.00 H new ATOM 0 HD2 ARG A 13 17.752 -7.553 2.882 1.00 0.00 H new ATOM 0 HD3 ARG A 13 16.578 -8.060 1.684 1.00 0.00 H new ATOM 0 HE ARG A 13 18.863 -9.768 1.484 1.00 0.00 H new ATOM 0 HH11 ARG A 13 16.189 -8.992 3.653 1.00 0.00 H new ATOM 0 HH12 ARG A 13 16.137 -10.611 4.358 1.00 0.00 H new ATOM 0 HH21 ARG A 13 18.792 -11.847 2.396 1.00 0.00 H new ATOM 0 HH22 ARG A 13 17.604 -12.220 3.650 1.00 0.00 H new ATOM 122 N ASP A 14 15.742 -6.425 -2.084 1.00 0.00 N ATOM 123 CA ASP A 14 14.490 -6.179 -2.777 1.00 0.00 C ATOM 124 C ASP A 14 13.291 -6.436 -1.877 1.00 0.00 C ATOM 125 O ASP A 14 13.433 -6.669 -0.677 1.00 0.00 O ATOM 126 CB ASP A 14 14.406 -7.059 -4.022 1.00 0.00 C ATOM 127 CG ASP A 14 14.062 -6.269 -5.269 1.00 0.00 C ATOM 128 OD1 ASP A 14 12.980 -6.510 -5.844 1.00 0.00 O ATOM 129 OD2 ASP A 14 14.874 -5.409 -5.670 1.00 0.00 O ATOM 0 H ASP A 14 15.897 -7.397 -1.818 1.00 0.00 H new ATOM 0 HA ASP A 14 14.468 -5.129 -3.068 1.00 0.00 H new ATOM 0 HB2 ASP A 14 15.359 -7.567 -4.169 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.654 -7.832 -3.866 1.00 0.00 H new ATOM 134 N ILE A 15 12.108 -6.383 -2.474 1.00 0.00 N ATOM 135 CA ILE A 15 10.865 -6.597 -1.746 1.00 0.00 C ATOM 136 C ILE A 15 9.839 -7.303 -2.620 1.00 0.00 C ATOM 137 O ILE A 15 9.741 -7.036 -3.818 1.00 0.00 O ATOM 138 CB ILE A 15 10.263 -5.268 -1.262 1.00 0.00 C ATOM 139 CG1 ILE A 15 8.974 -5.522 -0.481 1.00 0.00 C ATOM 140 CG2 ILE A 15 9.992 -4.352 -2.442 1.00 0.00 C ATOM 141 CD1 ILE A 15 8.463 -4.300 0.238 1.00 0.00 C ATOM 0 H ILE A 15 11.983 -6.192 -3.468 1.00 0.00 H new ATOM 0 HA ILE A 15 11.106 -7.219 -0.884 1.00 0.00 H new ATOM 0 HB ILE A 15 10.980 -4.782 -0.601 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.206 -5.879 -1.167 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.148 -6.316 0.245 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.566 -3.415 -2.085 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.925 -4.149 -2.967 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.290 -4.834 -3.123 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.546 -4.549 0.772 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.214 -3.955 0.948 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.258 -3.511 -0.486 1.00 0.00 H new ATOM 153 N ASP A 16 9.058 -8.186 -2.016 1.00 0.00 N ATOM 154 CA ASP A 16 8.016 -8.882 -2.746 1.00 0.00 C ATOM 155 C ASP A 16 6.832 -7.971 -2.968 1.00 0.00 C ATOM 156 O ASP A 16 6.696 -6.937 -2.315 1.00 0.00 O ATOM 157 CB ASP A 16 7.567 -10.139 -2.019 1.00 0.00 C ATOM 158 CG ASP A 16 7.464 -9.957 -0.517 1.00 0.00 C ATOM 159 OD1 ASP A 16 7.766 -10.919 0.220 1.00 0.00 O ATOM 160 OD2 ASP A 16 7.080 -8.853 -0.079 1.00 0.00 O ATOM 0 H ASP A 16 9.127 -8.435 -1.029 1.00 0.00 H new ATOM 0 HA ASP A 16 8.432 -9.177 -3.709 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.597 -10.449 -2.408 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.269 -10.945 -2.233 1.00 0.00 H new ATOM 165 N ASN A 17 6.005 -8.342 -3.935 1.00 0.00 N ATOM 166 CA ASN A 17 4.825 -7.549 -4.304 1.00 0.00 C ATOM 167 C ASN A 17 5.129 -6.049 -4.259 1.00 0.00 C ATOM 168 O ASN A 17 4.259 -5.236 -3.948 1.00 0.00 O ATOM 169 CB ASN A 17 3.655 -7.867 -3.372 1.00 0.00 C ATOM 170 CG ASN A 17 3.575 -9.340 -3.037 1.00 0.00 C ATOM 171 OD1 ASN A 17 4.452 -9.789 -2.150 1.00 0.00 O flip ATOM 172 ND2 ASN A 17 2.740 -10.068 -3.574 1.00 0.00 N flip ATOM 0 H ASN A 17 6.125 -9.192 -4.486 1.00 0.00 H new ATOM 0 HA ASN A 17 4.553 -7.815 -5.325 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.759 -7.292 -2.452 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.723 -7.552 -3.841 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.084 -9.679 -4.251 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.704 -11.060 -3.341 1.00 0.00 H new ATOM 179 N GLY A 18 6.387 -5.705 -4.521 1.00 0.00 N ATOM 180 CA GLY A 18 6.808 -4.317 -4.474 1.00 0.00 C ATOM 181 C GLY A 18 7.966 -4.026 -5.410 1.00 0.00 C ATOM 182 O GLY A 18 8.547 -4.941 -5.993 1.00 0.00 O ATOM 0 H GLY A 18 7.124 -6.366 -4.766 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.965 -3.677 -4.735 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.097 -4.063 -3.454 1.00 0.00 H new ATOM 186 N GLN A 19 8.286 -2.744 -5.574 1.00 0.00 N ATOM 187 CA GLN A 19 9.379 -2.328 -6.447 1.00 0.00 C ATOM 188 C GLN A 19 10.206 -1.229 -5.788 1.00 0.00 C ATOM 189 O GLN A 19 9.659 -0.296 -5.200 1.00 0.00 O ATOM 190 CB GLN A 19 8.848 -1.823 -7.797 1.00 0.00 C ATOM 191 CG GLN A 19 7.493 -2.389 -8.195 1.00 0.00 C ATOM 192 CD GLN A 19 7.449 -2.831 -9.644 1.00 0.00 C ATOM 193 OE1 GLN A 19 6.715 -2.266 -10.456 1.00 0.00 O ATOM 194 NE2 GLN A 19 8.235 -3.848 -9.976 1.00 0.00 N ATOM 0 H GLN A 19 7.802 -1.974 -5.112 1.00 0.00 H new ATOM 0 HA GLN A 19 10.009 -3.200 -6.620 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.777 -0.736 -7.761 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.573 -2.070 -8.573 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.255 -3.237 -7.553 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.724 -1.635 -8.025 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.827 -4.286 -9.271 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.247 -4.191 -10.937 1.00 0.00 H new ATOM 203 N LEU A 20 11.524 -1.333 -5.909 1.00 0.00 N ATOM 204 CA LEU A 20 12.424 -0.346 -5.330 1.00 0.00 C ATOM 205 C LEU A 20 12.579 0.867 -6.239 1.00 0.00 C ATOM 206 O LEU A 20 12.339 0.792 -7.444 1.00 0.00 O ATOM 207 CB LEU A 20 13.794 -0.967 -5.087 1.00 0.00 C ATOM 208 CG LEU A 20 13.967 -1.634 -3.727 1.00 0.00 C ATOM 209 CD1 LEU A 20 15.270 -2.405 -3.692 1.00 0.00 C ATOM 210 CD2 LEU A 20 12.796 -2.555 -3.429 1.00 0.00 C ATOM 0 H LEU A 20 11.993 -2.092 -6.404 1.00 0.00 H new ATOM 0 HA LEU A 20 11.991 -0.018 -4.385 1.00 0.00 H new ATOM 0 HB2 LEU A 20 13.984 -1.707 -5.865 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.552 -0.191 -5.193 1.00 0.00 H new ATOM 0 HG LEU A 20 13.994 -0.861 -2.959 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.386 -2.879 -2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.261 -3.170 -4.468 1.00 0.00 H new ATOM 0 HD13 LEU A 20 16.102 -1.722 -3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.939 -3.021 -2.454 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.871 -1.978 -3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 20 12.737 -3.328 -4.195 1.00 0.00 H new ATOM 222 N ASP A 21 13.016 1.974 -5.651 1.00 0.00 N ATOM 223 CA ASP A 21 13.262 3.200 -6.398 1.00 0.00 C ATOM 224 C ASP A 21 14.680 3.687 -6.128 1.00 0.00 C ATOM 225 O ASP A 21 14.890 4.666 -5.413 1.00 0.00 O ATOM 226 CB ASP A 21 12.246 4.277 -6.010 1.00 0.00 C ATOM 227 CG ASP A 21 11.608 4.933 -7.220 1.00 0.00 C ATOM 228 OD1 ASP A 21 11.319 4.215 -8.201 1.00 0.00 O ATOM 229 OD2 ASP A 21 11.398 6.163 -7.187 1.00 0.00 O ATOM 0 H ASP A 21 13.208 2.047 -4.652 1.00 0.00 H new ATOM 0 HA ASP A 21 13.151 2.995 -7.463 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.468 3.832 -5.389 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.740 5.038 -5.406 1.00 0.00 H new ATOM 234 N ILE A 22 15.654 2.962 -6.671 1.00 0.00 N ATOM 235 CA ILE A 22 17.060 3.278 -6.445 1.00 0.00 C ATOM 236 C ILE A 22 17.470 4.567 -7.142 1.00 0.00 C ATOM 237 O ILE A 22 17.873 4.558 -8.305 1.00 0.00 O ATOM 238 CB ILE A 22 17.996 2.143 -6.914 1.00 0.00 C ATOM 239 CG1 ILE A 22 17.330 0.771 -6.724 1.00 0.00 C ATOM 240 CG2 ILE A 22 19.315 2.216 -6.160 1.00 0.00 C ATOM 241 CD1 ILE A 22 18.285 -0.404 -6.805 1.00 0.00 C ATOM 0 H ILE A 22 15.495 2.152 -7.270 1.00 0.00 H new ATOM 0 HA ILE A 22 17.164 3.401 -5.367 1.00 0.00 H new ATOM 0 HB ILE A 22 18.195 2.269 -7.978 1.00 0.00 H new ATOM 0 HG12 ILE A 22 16.832 0.753 -5.754 1.00 0.00 H new ATOM 0 HG13 ILE A 22 16.556 0.648 -7.482 1.00 0.00 H new ATOM 0 HG21 ILE A 22 19.971 1.413 -6.495 1.00 0.00 H new ATOM 0 HG22 ILE A 22 19.791 3.177 -6.352 1.00 0.00 H new ATOM 0 HG23 ILE A 22 19.129 2.110 -5.091 1.00 0.00 H new ATOM 0 HD11 ILE A 22 17.733 -1.332 -6.660 1.00 0.00 H new ATOM 0 HD12 ILE A 22 18.765 -0.416 -7.784 1.00 0.00 H new ATOM 0 HD13 ILE A 22 19.045 -0.309 -6.029 1.00 0.00 H new ATOM 253 N GLY A 23 17.397 5.671 -6.409 1.00 0.00 N ATOM 254 CA GLY A 23 17.825 6.946 -6.949 1.00 0.00 C ATOM 255 C GLY A 23 19.271 7.246 -6.601 1.00 0.00 C ATOM 256 O GLY A 23 19.710 8.394 -6.674 1.00 0.00 O ATOM 0 H GLY A 23 17.049 5.706 -5.451 1.00 0.00 H new ATOM 0 HA2 GLY A 23 17.705 6.941 -8.032 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.185 7.739 -6.561 1.00 0.00 H new ATOM 260 N GLY A 24 20.012 6.208 -6.213 1.00 0.00 N ATOM 261 CA GLY A 24 21.405 6.377 -5.846 1.00 0.00 C ATOM 262 C GLY A 24 21.882 5.288 -4.905 1.00 0.00 C ATOM 263 O GLY A 24 21.196 4.948 -3.942 1.00 0.00 O ATOM 0 H GLY A 24 19.668 5.250 -6.147 1.00 0.00 H new ATOM 0 HA2 GLY A 24 22.020 6.373 -6.746 1.00 0.00 H new ATOM 0 HA3 GLY A 24 21.539 7.350 -5.372 1.00 0.00 H new ATOM 267 N VAL A 25 23.052 4.727 -5.193 1.00 0.00 N ATOM 268 CA VAL A 25 23.615 3.665 -4.365 1.00 0.00 C ATOM 269 C VAL A 25 24.964 4.078 -3.787 1.00 0.00 C ATOM 270 O VAL A 25 25.809 3.233 -3.489 1.00 0.00 O ATOM 271 CB VAL A 25 23.784 2.356 -5.164 1.00 0.00 C ATOM 272 CG1 VAL A 25 22.463 1.942 -5.795 1.00 0.00 C ATOM 273 CG2 VAL A 25 24.865 2.505 -6.226 1.00 0.00 C ATOM 0 H VAL A 25 23.629 4.989 -5.992 1.00 0.00 H new ATOM 0 HA VAL A 25 22.912 3.492 -3.550 1.00 0.00 H new ATOM 0 HB VAL A 25 24.095 1.572 -4.473 1.00 0.00 H new ATOM 0 HG11 VAL A 25 22.601 1.017 -6.355 1.00 0.00 H new ATOM 0 HG12 VAL A 25 21.720 1.786 -5.013 1.00 0.00 H new ATOM 0 HG13 VAL A 25 22.120 2.726 -6.470 1.00 0.00 H new ATOM 0 HG21 VAL A 25 24.966 1.569 -6.776 1.00 0.00 H new ATOM 0 HG22 VAL A 25 24.590 3.304 -6.915 1.00 0.00 H new ATOM 0 HG23 VAL A 25 25.814 2.749 -5.748 1.00 0.00 H new ATOM 283 N ASP A 26 25.164 5.382 -3.643 1.00 0.00 N ATOM 284 CA ASP A 26 26.419 5.905 -3.112 1.00 0.00 C ATOM 285 C ASP A 26 26.389 5.972 -1.590 1.00 0.00 C ATOM 286 O ASP A 26 25.328 6.117 -0.984 1.00 0.00 O ATOM 287 CB ASP A 26 26.720 7.291 -3.686 1.00 0.00 C ATOM 288 CG ASP A 26 25.488 8.169 -3.792 1.00 0.00 C ATOM 289 OD1 ASP A 26 25.512 9.294 -3.251 1.00 0.00 O ATOM 290 OD2 ASP A 26 24.498 7.730 -4.416 1.00 0.00 O ATOM 0 H ASP A 26 24.477 6.096 -3.885 1.00 0.00 H new ATOM 0 HA ASP A 26 27.211 5.219 -3.413 1.00 0.00 H new ATOM 0 HB2 ASP A 26 27.459 7.786 -3.056 1.00 0.00 H new ATOM 0 HB3 ASP A 26 27.166 7.180 -4.674 1.00 0.00 H new ATOM 295 N PHE A 27 27.565 5.873 -0.979 1.00 0.00 N ATOM 296 CA PHE A 27 27.682 5.933 0.472 1.00 0.00 C ATOM 297 C PHE A 27 26.937 7.142 1.024 1.00 0.00 C ATOM 298 O PHE A 27 27.456 8.258 1.026 1.00 0.00 O ATOM 299 CB PHE A 27 29.154 5.998 0.880 1.00 0.00 C ATOM 300 CG PHE A 27 29.520 5.042 1.978 1.00 0.00 C ATOM 301 CD1 PHE A 27 28.792 5.008 3.157 1.00 0.00 C ATOM 302 CD2 PHE A 27 30.597 4.183 1.833 1.00 0.00 C ATOM 303 CE1 PHE A 27 29.133 4.131 4.170 1.00 0.00 C ATOM 304 CE2 PHE A 27 30.942 3.304 2.843 1.00 0.00 C ATOM 305 CZ PHE A 27 30.209 3.278 4.013 1.00 0.00 C ATOM 0 H PHE A 27 28.452 5.751 -1.468 1.00 0.00 H new ATOM 0 HA PHE A 27 27.235 5.030 0.889 1.00 0.00 H new ATOM 0 HB2 PHE A 27 29.773 5.789 0.007 1.00 0.00 H new ATOM 0 HB3 PHE A 27 29.388 7.013 1.201 1.00 0.00 H new ATOM 0 HD1 PHE A 27 27.951 5.673 3.286 1.00 0.00 H new ATOM 0 HD2 PHE A 27 31.174 4.200 0.920 1.00 0.00 H new ATOM 0 HE1 PHE A 27 28.558 4.113 5.084 1.00 0.00 H new ATOM 0 HE2 PHE A 27 31.783 2.639 2.717 1.00 0.00 H new ATOM 0 HZ PHE A 27 30.476 2.593 4.804 1.00 0.00 H new ATOM 315 N GLY A 28 25.711 6.913 1.479 1.00 0.00 N ATOM 316 CA GLY A 28 24.903 7.992 2.009 1.00 0.00 C ATOM 317 C GLY A 28 23.656 8.252 1.182 1.00 0.00 C ATOM 318 O GLY A 28 22.928 9.211 1.436 1.00 0.00 O ATOM 0 H GLY A 28 25.262 5.997 1.490 1.00 0.00 H new ATOM 0 HA2 GLY A 28 24.612 7.754 3.032 1.00 0.00 H new ATOM 0 HA3 GLY A 28 25.502 8.902 2.051 1.00 0.00 H new ATOM 322 N SER A 29 23.405 7.400 0.187 1.00 0.00 N ATOM 323 CA SER A 29 22.228 7.550 -0.663 1.00 0.00 C ATOM 324 C SER A 29 21.005 6.929 0.002 1.00 0.00 C ATOM 325 O SER A 29 21.033 6.606 1.190 1.00 0.00 O ATOM 326 CB SER A 29 22.465 6.899 -2.027 1.00 0.00 C ATOM 327 OG SER A 29 22.356 7.849 -3.072 1.00 0.00 O ATOM 0 H SER A 29 23.998 6.604 -0.048 1.00 0.00 H new ATOM 0 HA SER A 29 22.047 8.615 -0.808 1.00 0.00 H new ATOM 0 HB2 SER A 29 23.455 6.442 -2.048 1.00 0.00 H new ATOM 0 HB3 SER A 29 21.741 6.099 -2.182 1.00 0.00 H new ATOM 0 HG SER A 29 22.934 7.583 -3.818 1.00 0.00 H new ATOM 333 N SER A 30 19.932 6.759 -0.765 1.00 0.00 N ATOM 334 CA SER A 30 18.713 6.166 -0.231 1.00 0.00 C ATOM 335 C SER A 30 17.814 5.630 -1.341 1.00 0.00 C ATOM 336 O SER A 30 17.644 6.265 -2.381 1.00 0.00 O ATOM 337 CB SER A 30 17.945 7.190 0.611 1.00 0.00 C ATOM 338 OG SER A 30 17.912 8.454 -0.028 1.00 0.00 O ATOM 0 H SER A 30 19.883 7.021 -1.749 1.00 0.00 H new ATOM 0 HA SER A 30 19.007 5.327 0.400 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.927 6.837 0.779 1.00 0.00 H new ATOM 0 HB3 SER A 30 18.415 7.286 1.590 1.00 0.00 H new ATOM 0 HG SER A 30 17.415 9.089 0.529 1.00 0.00 H new ATOM 344 N ILE A 31 17.234 4.458 -1.100 1.00 0.00 N ATOM 345 CA ILE A 31 16.323 3.832 -2.057 1.00 0.00 C ATOM 346 C ILE A 31 14.885 4.014 -1.600 1.00 0.00 C ATOM 347 O ILE A 31 14.622 4.077 -0.407 1.00 0.00 O ATOM 348 CB ILE A 31 16.586 2.317 -2.229 1.00 0.00 C ATOM 349 CG1 ILE A 31 17.996 1.938 -1.780 1.00 0.00 C ATOM 350 CG2 ILE A 31 16.378 1.908 -3.673 1.00 0.00 C ATOM 351 CD1 ILE A 31 18.246 0.447 -1.779 1.00 0.00 C ATOM 0 H ILE A 31 17.379 3.919 -0.246 1.00 0.00 H new ATOM 0 HA ILE A 31 16.497 4.322 -3.015 1.00 0.00 H new ATOM 0 HB ILE A 31 15.875 1.785 -1.597 1.00 0.00 H new ATOM 0 HG12 ILE A 31 18.720 2.420 -2.437 1.00 0.00 H new ATOM 0 HG13 ILE A 31 18.167 2.328 -0.777 1.00 0.00 H new ATOM 0 HG21 ILE A 31 16.566 0.840 -3.779 1.00 0.00 H new ATOM 0 HG22 ILE A 31 15.352 2.127 -3.969 1.00 0.00 H new ATOM 0 HG23 ILE A 31 17.066 2.463 -4.311 1.00 0.00 H new ATOM 0 HD11 ILE A 31 19.266 0.249 -1.450 1.00 0.00 H new ATOM 0 HD12 ILE A 31 17.545 -0.039 -1.100 1.00 0.00 H new ATOM 0 HD13 ILE A 31 18.107 0.054 -2.786 1.00 0.00 H new ATOM 363 N THR A 32 13.955 4.078 -2.546 1.00 0.00 N ATOM 364 CA THR A 32 12.545 4.250 -2.210 1.00 0.00 C ATOM 365 C THR A 32 11.754 2.975 -2.486 1.00 0.00 C ATOM 366 O THR A 32 11.618 2.553 -3.634 1.00 0.00 O ATOM 367 CB THR A 32 11.947 5.417 -2.996 1.00 0.00 C ATOM 368 OG1 THR A 32 12.971 6.234 -3.537 1.00 0.00 O ATOM 369 CG2 THR A 32 11.048 6.300 -2.158 1.00 0.00 C ATOM 0 H THR A 32 14.149 4.014 -3.545 1.00 0.00 H new ATOM 0 HA THR A 32 12.480 4.469 -1.144 1.00 0.00 H new ATOM 0 HB THR A 32 11.349 4.961 -3.785 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.569 6.974 -4.038 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.656 7.109 -2.774 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.221 5.709 -1.766 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.619 6.719 -1.330 1.00 0.00 H new ATOM 377 N TYR A 33 11.223 2.371 -1.426 1.00 0.00 N ATOM 378 CA TYR A 33 10.460 1.135 -1.557 1.00 0.00 C ATOM 379 C TYR A 33 8.984 1.411 -1.818 1.00 0.00 C ATOM 380 O TYR A 33 8.414 2.363 -1.287 1.00 0.00 O ATOM 381 CB TYR A 33 10.616 0.286 -0.296 1.00 0.00 C ATOM 382 CG TYR A 33 11.834 -0.603 -0.325 1.00 0.00 C ATOM 383 CD1 TYR A 33 13.110 -0.065 -0.231 1.00 0.00 C ATOM 384 CD2 TYR A 33 11.709 -1.977 -0.469 1.00 0.00 C ATOM 385 CE1 TYR A 33 14.228 -0.876 -0.263 1.00 0.00 C ATOM 386 CE2 TYR A 33 12.823 -2.794 -0.509 1.00 0.00 C ATOM 387 CZ TYR A 33 14.079 -2.239 -0.402 1.00 0.00 C ATOM 388 OH TYR A 33 15.191 -3.049 -0.435 1.00 0.00 O ATOM 0 H TYR A 33 11.307 2.717 -0.470 1.00 0.00 H new ATOM 0 HA TYR A 33 10.855 0.590 -2.414 1.00 0.00 H new ATOM 0 HB2 TYR A 33 10.674 0.943 0.572 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.727 -0.331 -0.169 1.00 0.00 H new ATOM 0 HD1 TYR A 33 13.231 1.004 -0.131 1.00 0.00 H new ATOM 0 HD2 TYR A 33 10.725 -2.415 -0.551 1.00 0.00 H new ATOM 0 HE1 TYR A 33 15.214 -0.444 -0.179 1.00 0.00 H new ATOM 0 HE2 TYR A 33 12.709 -3.862 -0.624 1.00 0.00 H new ATOM 0 HH TYR A 33 15.093 -3.710 -1.151 1.00 0.00 H new ATOM 398 N SER A 34 8.370 0.559 -2.634 1.00 0.00 N ATOM 399 CA SER A 34 6.957 0.696 -2.967 1.00 0.00 C ATOM 400 C SER A 34 6.355 -0.656 -3.335 1.00 0.00 C ATOM 401 O SER A 34 7.076 -1.594 -3.676 1.00 0.00 O ATOM 402 CB SER A 34 6.777 1.680 -4.125 1.00 0.00 C ATOM 403 OG SER A 34 5.716 2.583 -3.867 1.00 0.00 O ATOM 0 H SER A 34 8.831 -0.235 -3.078 1.00 0.00 H new ATOM 0 HA SER A 34 6.437 1.081 -2.090 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.702 2.236 -4.281 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.576 1.131 -5.045 1.00 0.00 H new ATOM 0 HG SER A 34 5.623 3.202 -4.621 1.00 0.00 H new ATOM 409 N CYS A 35 5.030 -0.751 -3.266 1.00 0.00 N ATOM 410 CA CYS A 35 4.337 -1.992 -3.589 1.00 0.00 C ATOM 411 C CYS A 35 4.146 -2.138 -5.095 1.00 0.00 C ATOM 412 O CYS A 35 4.383 -1.200 -5.856 1.00 0.00 O ATOM 413 CB CYS A 35 2.981 -2.038 -2.886 1.00 0.00 C ATOM 414 SG CYS A 35 3.053 -2.636 -1.167 1.00 0.00 S ATOM 0 H CYS A 35 4.417 0.016 -2.990 1.00 0.00 H new ATOM 0 HA CYS A 35 4.951 -2.822 -3.239 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.546 -1.039 -2.894 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.311 -2.682 -3.455 1.00 0.00 H new ATOM 419 N ASN A 36 3.725 -3.326 -5.519 1.00 0.00 N ATOM 420 CA ASN A 36 3.515 -3.601 -6.937 1.00 0.00 C ATOM 421 C ASN A 36 2.331 -2.806 -7.482 1.00 0.00 C ATOM 422 O ASN A 36 2.506 -1.727 -8.049 1.00 0.00 O ATOM 423 CB ASN A 36 3.287 -5.098 -7.161 1.00 0.00 C ATOM 424 CG ASN A 36 4.469 -5.770 -7.834 1.00 0.00 C ATOM 425 OD1 ASN A 36 5.273 -5.116 -8.499 1.00 0.00 O ATOM 426 ND2 ASN A 36 4.579 -7.082 -7.665 1.00 0.00 N ATOM 0 H ASN A 36 3.523 -4.113 -4.902 1.00 0.00 H new ATOM 0 HA ASN A 36 4.411 -3.292 -7.475 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.096 -5.581 -6.203 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.396 -5.239 -7.773 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.353 -7.588 -8.095 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.889 -7.584 -7.106 1.00 0.00 H new ATOM 433 N SER A 37 1.128 -3.347 -7.314 1.00 0.00 N ATOM 434 CA SER A 37 -0.080 -2.687 -7.794 1.00 0.00 C ATOM 435 C SER A 37 -1.295 -3.122 -6.981 1.00 0.00 C ATOM 436 O SER A 37 -1.496 -4.312 -6.735 1.00 0.00 O ATOM 437 CB SER A 37 -0.304 -2.999 -9.275 1.00 0.00 C ATOM 438 OG SER A 37 -0.076 -1.854 -10.079 1.00 0.00 O ATOM 0 H SER A 37 0.965 -4.240 -6.849 1.00 0.00 H new ATOM 0 HA SER A 37 0.051 -1.612 -7.673 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.363 -3.803 -9.585 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.323 -3.355 -9.425 1.00 0.00 H new ATOM 0 HG SER A 37 -0.224 -2.081 -11.021 1.00 0.00 H new ATOM 444 N GLY A 38 -2.102 -2.151 -6.567 1.00 0.00 N ATOM 445 CA GLY A 38 -3.277 -2.455 -5.773 1.00 0.00 C ATOM 446 C GLY A 38 -2.917 -2.982 -4.398 1.00 0.00 C ATOM 447 O GLY A 38 -3.717 -3.661 -3.755 1.00 0.00 O ATOM 0 H GLY A 38 -1.963 -1.160 -6.767 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.885 -1.557 -5.668 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.886 -3.193 -6.295 1.00 0.00 H new ATOM 451 N TYR A 39 -1.705 -2.670 -3.952 1.00 0.00 N ATOM 452 CA TYR A 39 -1.226 -3.117 -2.650 1.00 0.00 C ATOM 453 C TYR A 39 -1.025 -1.934 -1.713 1.00 0.00 C ATOM 454 O TYR A 39 -1.240 -0.784 -2.096 1.00 0.00 O ATOM 455 CB TYR A 39 0.091 -3.877 -2.812 1.00 0.00 C ATOM 456 CG TYR A 39 -0.087 -5.368 -2.969 1.00 0.00 C ATOM 457 CD1 TYR A 39 0.811 -6.260 -2.397 1.00 0.00 C ATOM 458 CD2 TYR A 39 -1.151 -5.884 -3.696 1.00 0.00 C ATOM 459 CE1 TYR A 39 0.649 -7.624 -2.540 1.00 0.00 C ATOM 460 CE2 TYR A 39 -1.324 -7.245 -3.839 1.00 0.00 C ATOM 461 CZ TYR A 39 -0.420 -8.112 -3.263 1.00 0.00 C ATOM 462 OH TYR A 39 -0.586 -9.470 -3.407 1.00 0.00 O ATOM 0 H TYR A 39 -1.035 -2.107 -4.476 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.976 -3.779 -2.217 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.620 -3.489 -3.682 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.721 -3.684 -1.944 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.649 -5.881 -1.831 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.856 -5.208 -4.158 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.355 -8.305 -2.088 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -2.163 -7.629 -4.399 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.387 -9.647 -3.943 1.00 0.00 H new ATOM 472 N HIS A 40 -0.608 -2.218 -0.484 1.00 0.00 N ATOM 473 CA HIS A 40 -0.355 -1.165 0.490 1.00 0.00 C ATOM 474 C HIS A 40 0.881 -1.487 1.322 1.00 0.00 C ATOM 475 O HIS A 40 0.894 -2.444 2.095 1.00 0.00 O ATOM 476 CB HIS A 40 -1.579 -0.948 1.390 1.00 0.00 C ATOM 477 CG HIS A 40 -1.736 -1.961 2.484 1.00 0.00 C ATOM 478 ND1 HIS A 40 -1.990 -1.616 3.796 1.00 0.00 N ATOM 479 CD2 HIS A 40 -1.686 -3.313 2.457 1.00 0.00 C ATOM 480 CE1 HIS A 40 -2.085 -2.712 4.527 1.00 0.00 C ATOM 481 NE2 HIS A 40 -1.903 -3.754 3.739 1.00 0.00 N ATOM 0 H HIS A 40 -0.439 -3.164 -0.141 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.167 -0.238 -0.052 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -1.513 0.044 1.838 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -2.476 -0.959 0.771 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.508 -3.930 1.589 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.279 -2.749 5.589 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -1.921 -4.730 4.034 1.00 0.00 H new ATOM 490 N LEU A 41 1.925 -0.693 1.131 1.00 0.00 N ATOM 491 CA LEU A 41 3.177 -0.885 1.847 1.00 0.00 C ATOM 492 C LEU A 41 3.084 -0.312 3.255 1.00 0.00 C ATOM 493 O LEU A 41 2.722 0.851 3.438 1.00 0.00 O ATOM 494 CB LEU A 41 4.322 -0.221 1.078 1.00 0.00 C ATOM 495 CG LEU A 41 5.662 -0.173 1.812 1.00 0.00 C ATOM 496 CD1 LEU A 41 6.804 -0.020 0.820 1.00 0.00 C ATOM 497 CD2 LEU A 41 5.674 0.961 2.822 1.00 0.00 C ATOM 0 H LEU A 41 1.929 0.094 0.482 1.00 0.00 H new ATOM 0 HA LEU A 41 3.374 -1.954 1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.461 -0.752 0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.027 0.798 0.828 1.00 0.00 H new ATOM 0 HG LEU A 41 5.797 -1.111 2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.751 0.013 1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.806 -0.867 0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.675 0.904 0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.635 0.981 3.336 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.518 1.909 2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.877 0.809 3.550 1.00 0.00 H new ATOM 509 N ILE A 42 3.397 -1.136 4.249 1.00 0.00 N ATOM 510 CA ILE A 42 3.336 -0.701 5.641 1.00 0.00 C ATOM 511 C ILE A 42 4.729 -0.439 6.194 1.00 0.00 C ATOM 512 O ILE A 42 5.731 -0.861 5.615 1.00 0.00 O ATOM 513 CB ILE A 42 2.621 -1.728 6.547 1.00 0.00 C ATOM 514 CG1 ILE A 42 1.562 -2.504 5.760 1.00 0.00 C ATOM 515 CG2 ILE A 42 1.984 -1.023 7.733 1.00 0.00 C ATOM 516 CD1 ILE A 42 0.566 -1.608 5.060 1.00 0.00 C ATOM 0 H ILE A 42 3.694 -2.103 4.119 1.00 0.00 H new ATOM 0 HA ILE A 42 2.758 0.223 5.645 1.00 0.00 H new ATOM 0 HB ILE A 42 3.362 -2.439 6.913 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.057 -3.134 5.021 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.028 -3.169 6.439 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.483 -1.756 8.365 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.755 -0.513 8.310 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.257 -0.294 7.375 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.157 -2.220 4.521 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.046 -0.996 5.797 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.090 -0.961 4.357 1.00 0.00 H new ATOM 528 N GLY A 43 4.781 0.264 7.316 1.00 0.00 N ATOM 529 CA GLY A 43 6.054 0.584 7.935 1.00 0.00 C ATOM 530 C GLY A 43 6.816 1.648 7.170 1.00 0.00 C ATOM 531 O GLY A 43 6.244 2.665 6.774 1.00 0.00 O ATOM 0 H GLY A 43 3.963 0.620 7.811 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.883 0.926 8.956 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.661 -0.319 7.999 1.00 0.00 H new ATOM 535 N GLU A 44 8.107 1.416 6.955 1.00 0.00 N ATOM 536 CA GLU A 44 8.940 2.361 6.226 1.00 0.00 C ATOM 537 C GLU A 44 8.833 2.136 4.727 1.00 0.00 C ATOM 538 O GLU A 44 8.095 1.265 4.269 1.00 0.00 O ATOM 539 CB GLU A 44 10.399 2.222 6.651 1.00 0.00 C ATOM 540 CG GLU A 44 10.925 0.803 6.520 1.00 0.00 C ATOM 541 CD GLU A 44 11.640 0.319 7.767 1.00 0.00 C ATOM 542 OE1 GLU A 44 11.726 1.092 8.744 1.00 0.00 O ATOM 543 OE2 GLU A 44 12.119 -0.835 7.764 1.00 0.00 O ATOM 0 H GLU A 44 8.597 0.581 7.276 1.00 0.00 H new ATOM 0 HA GLU A 44 8.586 3.365 6.460 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.013 2.888 6.045 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.502 2.547 7.686 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.094 0.132 6.301 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.609 0.751 5.673 1.00 0.00 H new ATOM 550 N SER A 45 9.614 2.894 3.973 1.00 0.00 N ATOM 551 CA SER A 45 9.601 2.803 2.527 1.00 0.00 C ATOM 552 C SER A 45 10.896 3.317 1.920 1.00 0.00 C ATOM 553 O SER A 45 10.938 3.651 0.736 1.00 0.00 O ATOM 554 CB SER A 45 8.444 3.626 1.988 1.00 0.00 C ATOM 555 OG SER A 45 8.305 4.842 2.703 1.00 0.00 O ATOM 0 H SER A 45 10.268 3.583 4.345 1.00 0.00 H new ATOM 0 HA SER A 45 9.490 1.753 2.256 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.606 3.839 0.931 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.521 3.051 2.059 1.00 0.00 H new ATOM 0 HG SER A 45 7.555 5.354 2.335 1.00 0.00 H new ATOM 561 N LYS A 46 11.949 3.398 2.722 1.00 0.00 N ATOM 562 CA LYS A 46 13.211 3.914 2.219 1.00 0.00 C ATOM 563 C LYS A 46 14.423 3.236 2.853 1.00 0.00 C ATOM 564 O LYS A 46 14.537 3.149 4.075 1.00 0.00 O ATOM 565 CB LYS A 46 13.288 5.423 2.448 1.00 0.00 C ATOM 566 CG LYS A 46 13.259 6.237 1.164 1.00 0.00 C ATOM 567 CD LYS A 46 13.378 7.734 1.427 1.00 0.00 C ATOM 568 CE LYS A 46 12.455 8.193 2.544 1.00 0.00 C ATOM 569 NZ LYS A 46 11.888 9.543 2.279 1.00 0.00 N ATOM 0 H LYS A 46 11.955 3.119 3.703 1.00 0.00 H new ATOM 0 HA LYS A 46 13.239 3.694 1.152 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.455 5.729 3.081 1.00 0.00 H new ATOM 0 HB3 LYS A 46 14.203 5.653 2.993 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.075 5.918 0.515 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.330 6.037 0.630 1.00 0.00 H new ATOM 0 HD2 LYS A 46 14.409 7.975 1.687 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.143 8.282 0.515 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.643 7.475 2.661 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.005 8.209 3.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.265 9.818 3.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.661 10.233 2.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.342 9.522 1.394 1.00 0.00 H new ATOM 583 N SER A 47 15.351 2.815 1.997 1.00 0.00 N ATOM 584 CA SER A 47 16.606 2.207 2.434 1.00 0.00 C ATOM 585 C SER A 47 17.698 3.258 2.469 1.00 0.00 C ATOM 586 O SER A 47 17.704 4.163 1.640 1.00 0.00 O ATOM 587 CB SER A 47 17.018 1.096 1.462 1.00 0.00 C ATOM 588 OG SER A 47 17.327 -0.102 2.141 1.00 0.00 O ATOM 0 H SER A 47 15.255 2.885 0.984 1.00 0.00 H new ATOM 0 HA SER A 47 16.463 1.787 3.429 1.00 0.00 H new ATOM 0 HB2 SER A 47 16.210 0.915 0.753 1.00 0.00 H new ATOM 0 HB3 SER A 47 17.883 1.420 0.884 1.00 0.00 H new ATOM 0 HG SER A 47 17.879 0.100 2.925 1.00 0.00 H new ATOM 594 N TYR A 48 18.643 3.138 3.397 1.00 0.00 N ATOM 595 CA TYR A 48 19.738 4.115 3.433 1.00 0.00 C ATOM 596 C TYR A 48 21.101 3.447 3.364 1.00 0.00 C ATOM 597 O TYR A 48 21.469 2.648 4.223 1.00 0.00 O ATOM 598 CB TYR A 48 19.655 5.027 4.659 1.00 0.00 C ATOM 599 CG TYR A 48 18.244 5.299 5.103 1.00 0.00 C ATOM 600 CD1 TYR A 48 17.358 5.951 4.262 1.00 0.00 C ATOM 601 CD2 TYR A 48 17.797 4.899 6.352 1.00 0.00 C ATOM 602 CE1 TYR A 48 16.059 6.204 4.656 1.00 0.00 C ATOM 603 CE2 TYR A 48 16.502 5.146 6.758 1.00 0.00 C ATOM 604 CZ TYR A 48 15.635 5.800 5.906 1.00 0.00 C ATOM 605 OH TYR A 48 14.341 6.049 6.304 1.00 0.00 O ATOM 0 H TYR A 48 18.680 2.408 4.109 1.00 0.00 H new ATOM 0 HA TYR A 48 19.620 4.734 2.544 1.00 0.00 H new ATOM 0 HB2 TYR A 48 20.206 4.570 5.481 1.00 0.00 H new ATOM 0 HB3 TYR A 48 20.146 5.973 4.433 1.00 0.00 H new ATOM 0 HD1 TYR A 48 17.688 6.266 3.283 1.00 0.00 H new ATOM 0 HD2 TYR A 48 18.474 4.385 7.019 1.00 0.00 H new ATOM 0 HE1 TYR A 48 15.379 6.715 3.990 1.00 0.00 H new ATOM 0 HE2 TYR A 48 16.169 4.830 7.736 1.00 0.00 H new ATOM 0 HH TYR A 48 14.204 5.700 7.209 1.00 0.00 H new ATOM 615 N CYS A 49 21.848 3.807 2.329 1.00 0.00 N ATOM 616 CA CYS A 49 23.189 3.278 2.124 1.00 0.00 C ATOM 617 C CYS A 49 24.153 3.855 3.151 1.00 0.00 C ATOM 618 O CYS A 49 24.520 5.028 3.081 1.00 0.00 O ATOM 619 CB CYS A 49 23.677 3.609 0.710 1.00 0.00 C ATOM 620 SG CYS A 49 25.431 3.218 0.410 1.00 0.00 S ATOM 0 H CYS A 49 21.545 4.468 1.614 1.00 0.00 H new ATOM 0 HA CYS A 49 23.154 2.195 2.245 1.00 0.00 H new ATOM 0 HB2 CYS A 49 23.067 3.062 -0.009 1.00 0.00 H new ATOM 0 HB3 CYS A 49 23.516 4.671 0.522 1.00 0.00 H new ATOM 625 N GLU A 50 24.561 3.029 4.107 1.00 0.00 N ATOM 626 CA GLU A 50 25.484 3.474 5.142 1.00 0.00 C ATOM 627 C GLU A 50 26.567 2.437 5.401 1.00 0.00 C ATOM 628 O GLU A 50 26.658 1.425 4.706 1.00 0.00 O ATOM 629 CB GLU A 50 24.730 3.777 6.437 1.00 0.00 C ATOM 630 CG GLU A 50 24.805 5.237 6.853 1.00 0.00 C ATOM 631 CD GLU A 50 23.487 5.761 7.387 1.00 0.00 C ATOM 632 OE1 GLU A 50 23.151 5.449 8.549 1.00 0.00 O ATOM 633 OE2 GLU A 50 22.791 6.485 6.644 1.00 0.00 O ATOM 0 H GLU A 50 24.270 2.055 4.187 1.00 0.00 H new ATOM 0 HA GLU A 50 25.964 4.386 4.787 1.00 0.00 H new ATOM 0 HB2 GLU A 50 23.684 3.495 6.314 1.00 0.00 H new ATOM 0 HB3 GLU A 50 25.135 3.158 7.238 1.00 0.00 H new ATOM 0 HG2 GLU A 50 25.574 5.354 7.617 1.00 0.00 H new ATOM 0 HG3 GLU A 50 25.111 5.839 5.997 1.00 0.00 H new ATOM 640 N LEU A 51 27.389 2.703 6.407 1.00 0.00 N ATOM 641 CA LEU A 51 28.489 1.815 6.756 1.00 0.00 C ATOM 642 C LEU A 51 28.084 0.849 7.865 1.00 0.00 C ATOM 643 O LEU A 51 27.251 1.174 8.712 1.00 0.00 O ATOM 644 CB LEU A 51 29.705 2.633 7.188 1.00 0.00 C ATOM 645 CG LEU A 51 29.568 3.313 8.546 1.00 0.00 C ATOM 646 CD1 LEU A 51 28.994 4.712 8.387 1.00 0.00 C ATOM 647 CD2 LEU A 51 30.912 3.361 9.255 1.00 0.00 C ATOM 0 H LEU A 51 27.314 3.531 6.998 1.00 0.00 H new ATOM 0 HA LEU A 51 28.747 1.229 5.874 1.00 0.00 H new ATOM 0 HB2 LEU A 51 30.576 1.978 7.211 1.00 0.00 H new ATOM 0 HB3 LEU A 51 29.899 3.395 6.434 1.00 0.00 H new ATOM 0 HG LEU A 51 28.879 2.729 9.157 1.00 0.00 H new ATOM 0 HD11 LEU A 51 28.903 5.182 9.366 1.00 0.00 H new ATOM 0 HD12 LEU A 51 29.656 5.308 7.759 1.00 0.00 H new ATOM 0 HD13 LEU A 51 28.010 4.651 7.922 1.00 0.00 H new ATOM 0 HD21 LEU A 51 30.796 3.850 10.222 1.00 0.00 H new ATOM 0 HD22 LEU A 51 31.282 2.346 9.403 1.00 0.00 H new ATOM 0 HD23 LEU A 51 31.623 3.922 8.649 1.00 0.00 H new ATOM 709 N MET A 57 30.075 -2.158 4.174 1.00 0.00 N ATOM 710 CA MET A 57 28.991 -1.619 3.365 1.00 0.00 C ATOM 711 C MET A 57 27.683 -2.321 3.701 1.00 0.00 C ATOM 712 O MET A 57 27.627 -3.549 3.776 1.00 0.00 O ATOM 713 CB MET A 57 29.300 -1.779 1.871 1.00 0.00 C ATOM 714 CG MET A 57 30.786 -1.850 1.550 1.00 0.00 C ATOM 715 SD MET A 57 31.346 -3.532 1.218 1.00 0.00 S ATOM 716 CE MET A 57 32.839 -3.593 2.206 1.00 0.00 C ATOM 0 HA MET A 57 28.893 -0.557 3.589 1.00 0.00 H new ATOM 0 HB2 MET A 57 28.816 -2.685 1.505 1.00 0.00 H new ATOM 0 HB3 MET A 57 28.861 -0.942 1.328 1.00 0.00 H new ATOM 0 HG2 MET A 57 30.997 -1.223 0.683 1.00 0.00 H new ATOM 0 HG3 MET A 57 31.354 -1.440 2.385 1.00 0.00 H new ATOM 0 HE1 MET A 57 33.302 -4.574 2.105 1.00 0.00 H new ATOM 0 HE2 MET A 57 33.534 -2.827 1.863 1.00 0.00 H new ATOM 0 HE3 MET A 57 32.590 -3.415 3.252 1.00 0.00 H new ATOM 726 N VAL A 58 26.638 -1.538 3.919 1.00 0.00 N ATOM 727 CA VAL A 58 25.336 -2.086 4.269 1.00 0.00 C ATOM 728 C VAL A 58 24.213 -1.165 3.811 1.00 0.00 C ATOM 729 O VAL A 58 24.459 -0.062 3.322 1.00 0.00 O ATOM 730 CB VAL A 58 25.214 -2.303 5.786 1.00 0.00 C ATOM 731 CG1 VAL A 58 25.908 -3.591 6.202 1.00 0.00 C ATOM 732 CG2 VAL A 58 25.791 -1.113 6.529 1.00 0.00 C ATOM 0 H VAL A 58 26.666 -0.520 3.860 1.00 0.00 H new ATOM 0 HA VAL A 58 25.247 -3.046 3.760 1.00 0.00 H new ATOM 0 HB VAL A 58 24.159 -2.394 6.043 1.00 0.00 H new ATOM 0 HG11 VAL A 58 25.810 -3.726 7.279 1.00 0.00 H new ATOM 0 HG12 VAL A 58 25.448 -4.435 5.687 1.00 0.00 H new ATOM 0 HG13 VAL A 58 26.964 -3.537 5.938 1.00 0.00 H new ATOM 0 HG21 VAL A 58 25.700 -1.276 7.603 1.00 0.00 H new ATOM 0 HG22 VAL A 58 26.843 -0.996 6.267 1.00 0.00 H new ATOM 0 HG23 VAL A 58 25.245 -0.211 6.251 1.00 0.00 H new ATOM 742 N TRP A 59 22.979 -1.620 3.982 1.00 0.00 N ATOM 743 CA TRP A 59 21.819 -0.839 3.581 1.00 0.00 C ATOM 744 C TRP A 59 20.805 -0.732 4.714 1.00 0.00 C ATOM 745 O TRP A 59 20.343 -1.741 5.247 1.00 0.00 O ATOM 746 CB TRP A 59 21.158 -1.469 2.355 1.00 0.00 C ATOM 747 CG TRP A 59 21.825 -1.109 1.063 1.00 0.00 C ATOM 748 CD1 TRP A 59 22.808 -1.810 0.423 1.00 0.00 C ATOM 749 CD2 TRP A 59 21.550 0.035 0.246 1.00 0.00 C ATOM 750 NE1 TRP A 59 23.159 -1.172 -0.742 1.00 0.00 N ATOM 751 CE2 TRP A 59 22.405 -0.035 -0.871 1.00 0.00 C ATOM 752 CE3 TRP A 59 20.666 1.115 0.349 1.00 0.00 C ATOM 753 CZ2 TRP A 59 22.399 0.931 -1.873 1.00 0.00 C ATOM 754 CZ3 TRP A 59 20.666 2.074 -0.645 1.00 0.00 C ATOM 755 CH2 TRP A 59 21.523 1.973 -1.744 1.00 0.00 C ATOM 0 H TRP A 59 22.757 -2.526 4.396 1.00 0.00 H new ATOM 0 HA TRP A 59 22.162 0.165 3.333 1.00 0.00 H new ATOM 0 HB2 TRP A 59 21.163 -2.553 2.467 1.00 0.00 H new ATOM 0 HB3 TRP A 59 20.114 -1.157 2.315 1.00 0.00 H new ATOM 0 HD1 TRP A 59 23.245 -2.731 0.781 1.00 0.00 H new ATOM 0 HE1 TRP A 59 23.866 -1.493 -1.404 1.00 0.00 H new ATOM 0 HE3 TRP A 59 19.995 1.197 1.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 23.063 0.860 -2.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 19.993 2.915 -0.572 1.00 0.00 H new ATOM 0 HH2 TRP A 59 21.493 2.735 -2.509 1.00 0.00 H new ATOM 766 N ASN A 60 20.439 0.498 5.049 1.00 0.00 N ATOM 767 CA ASN A 60 19.452 0.749 6.092 1.00 0.00 C ATOM 768 C ASN A 60 18.078 0.290 5.627 1.00 0.00 C ATOM 769 O ASN A 60 17.896 0.035 4.443 1.00 0.00 O ATOM 770 CB ASN A 60 19.419 2.231 6.430 1.00 0.00 C ATOM 771 CG ASN A 60 20.299 2.586 7.607 1.00 0.00 C ATOM 772 OD1 ASN A 60 19.978 3.484 8.386 1.00 0.00 O ATOM 773 ND2 ASN A 60 21.410 1.882 7.752 1.00 0.00 N ATOM 0 H ASN A 60 20.812 1.341 4.612 1.00 0.00 H new ATOM 0 HA ASN A 60 19.729 0.189 6.985 1.00 0.00 H new ATOM 0 HB2 ASN A 60 19.737 2.804 5.559 1.00 0.00 H new ATOM 0 HB3 ASN A 60 18.393 2.526 6.648 1.00 0.00 H new ATOM 0 HD21 ASN A 60 22.038 2.075 8.532 1.00 0.00 H new ATOM 0 HD22 ASN A 60 21.638 1.146 7.083 1.00 0.00 H new ATOM 780 N PRO A 61 17.110 0.162 6.564 1.00 0.00 N ATOM 781 CA PRO A 61 15.745 -0.295 6.314 1.00 0.00 C ATOM 782 C PRO A 61 15.315 -0.248 4.851 1.00 0.00 C ATOM 783 O PRO A 61 14.840 0.773 4.362 1.00 0.00 O ATOM 784 CB PRO A 61 14.948 0.687 7.165 1.00 0.00 C ATOM 785 CG PRO A 61 15.859 1.037 8.313 1.00 0.00 C ATOM 786 CD PRO A 61 17.241 0.513 7.976 1.00 0.00 C ATOM 0 HA PRO A 61 15.607 -1.348 6.559 1.00 0.00 H new ATOM 0 HB2 PRO A 61 14.675 1.574 6.593 1.00 0.00 H new ATOM 0 HB3 PRO A 61 14.020 0.239 7.520 1.00 0.00 H new ATOM 0 HG2 PRO A 61 15.885 2.116 8.466 1.00 0.00 H new ATOM 0 HG3 PRO A 61 15.496 0.592 9.240 1.00 0.00 H new ATOM 0 HD2 PRO A 61 18.011 1.267 8.137 1.00 0.00 H new ATOM 0 HD3 PRO A 61 17.508 -0.350 8.586 1.00 0.00 H new ATOM 794 N GLU A 62 15.439 -1.390 4.177 1.00 0.00 N ATOM 795 CA GLU A 62 15.103 -1.489 2.757 1.00 0.00 C ATOM 796 C GLU A 62 13.670 -1.965 2.535 1.00 0.00 C ATOM 797 O GLU A 62 12.801 -1.176 2.172 1.00 0.00 O ATOM 798 CB GLU A 62 16.071 -2.434 2.018 1.00 0.00 C ATOM 799 CG GLU A 62 17.303 -2.840 2.818 1.00 0.00 C ATOM 800 CD GLU A 62 17.056 -4.055 3.690 1.00 0.00 C ATOM 801 OE1 GLU A 62 18.017 -4.813 3.937 1.00 0.00 O ATOM 802 OE2 GLU A 62 15.902 -4.249 4.125 1.00 0.00 O ATOM 0 H GLU A 62 15.770 -2.261 4.592 1.00 0.00 H new ATOM 0 HA GLU A 62 15.198 -0.482 2.351 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.529 -3.335 1.731 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.396 -1.950 1.097 1.00 0.00 H new ATOM 0 HG2 GLU A 62 18.124 -3.050 2.133 1.00 0.00 H new ATOM 0 HG3 GLU A 62 17.616 -2.005 3.445 1.00 0.00 H new ATOM 809 N ALA A 63 13.445 -3.266 2.697 1.00 0.00 N ATOM 810 CA ALA A 63 12.142 -3.866 2.416 1.00 0.00 C ATOM 811 C ALA A 63 11.173 -3.773 3.593 1.00 0.00 C ATOM 812 O ALA A 63 11.301 -4.515 4.568 1.00 0.00 O ATOM 813 CB ALA A 63 12.324 -5.321 2.014 1.00 0.00 C ATOM 0 H ALA A 63 14.150 -3.928 3.022 1.00 0.00 H new ATOM 0 HA ALA A 63 11.701 -3.297 1.598 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.351 -5.765 1.805 1.00 0.00 H new ATOM 0 HB2 ALA A 63 12.947 -5.377 1.122 1.00 0.00 H new ATOM 0 HB3 ALA A 63 12.805 -5.866 2.827 1.00 0.00 H new ATOM 819 N PRO A 64 10.131 -2.924 3.482 1.00 0.00 N ATOM 820 CA PRO A 64 9.096 -2.789 4.501 1.00 0.00 C ATOM 821 C PRO A 64 7.992 -3.825 4.300 1.00 0.00 C ATOM 822 O PRO A 64 8.220 -4.868 3.687 1.00 0.00 O ATOM 823 CB PRO A 64 8.549 -1.368 4.268 1.00 0.00 C ATOM 824 CG PRO A 64 9.283 -0.831 3.075 1.00 0.00 C ATOM 825 CD PRO A 64 9.859 -2.020 2.364 1.00 0.00 C ATOM 0 HA PRO A 64 9.475 -2.945 5.511 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.474 -1.389 4.088 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.713 -0.739 5.143 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.610 -0.276 2.422 1.00 0.00 H new ATOM 0 HG3 PRO A 64 10.070 -0.142 3.381 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.157 -2.450 1.650 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.764 -1.768 1.810 1.00 0.00 H new ATOM 833 N ILE A 65 6.790 -3.525 4.781 1.00 0.00 N ATOM 834 CA ILE A 65 5.660 -4.431 4.610 1.00 0.00 C ATOM 835 C ILE A 65 4.969 -4.187 3.273 1.00 0.00 C ATOM 836 O ILE A 65 5.162 -3.149 2.644 1.00 0.00 O ATOM 837 CB ILE A 65 4.619 -4.281 5.730 1.00 0.00 C ATOM 838 CG1 ILE A 65 5.294 -3.954 7.064 1.00 0.00 C ATOM 839 CG2 ILE A 65 3.789 -5.547 5.850 1.00 0.00 C ATOM 840 CD1 ILE A 65 6.277 -5.010 7.519 1.00 0.00 C ATOM 0 H ILE A 65 6.574 -2.667 5.289 1.00 0.00 H new ATOM 0 HA ILE A 65 6.069 -5.441 4.645 1.00 0.00 H new ATOM 0 HB ILE A 65 3.959 -3.452 5.474 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.814 -3.000 6.975 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.527 -3.829 7.829 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.055 -5.427 6.647 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.274 -5.735 4.908 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.441 -6.389 6.081 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.717 -4.712 8.471 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.759 -5.961 7.641 1.00 0.00 H new ATOM 0 HD13 ILE A 65 7.065 -5.119 6.774 1.00 0.00 H new ATOM 852 N CYS A 66 4.148 -5.142 2.857 1.00 0.00 N ATOM 853 CA CYS A 66 3.416 -5.029 1.603 1.00 0.00 C ATOM 854 C CYS A 66 2.345 -6.109 1.503 1.00 0.00 C ATOM 855 O CYS A 66 2.621 -7.291 1.710 1.00 0.00 O ATOM 856 CB CYS A 66 4.373 -5.137 0.417 1.00 0.00 C ATOM 857 SG CYS A 66 4.774 -3.541 -0.365 1.00 0.00 S ATOM 0 H CYS A 66 3.972 -6.005 3.371 1.00 0.00 H new ATOM 0 HA CYS A 66 2.930 -4.053 1.581 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.297 -5.607 0.752 1.00 0.00 H new ATOM 0 HB3 CYS A 66 3.933 -5.796 -0.332 1.00 0.00 H new ATOM 862 N GLU A 67 1.124 -5.697 1.183 1.00 0.00 N ATOM 863 CA GLU A 67 0.011 -6.628 1.078 1.00 0.00 C ATOM 864 C GLU A 67 -1.054 -6.102 0.121 1.00 0.00 C ATOM 865 O GLU A 67 -1.024 -4.938 -0.278 1.00 0.00 O ATOM 866 CB GLU A 67 -0.601 -6.854 2.460 1.00 0.00 C ATOM 867 CG GLU A 67 -0.558 -8.302 2.919 1.00 0.00 C ATOM 868 CD GLU A 67 0.079 -8.462 4.286 1.00 0.00 C ATOM 869 OE1 GLU A 67 1.110 -9.161 4.382 1.00 0.00 O ATOM 870 OE2 GLU A 67 -0.452 -7.887 5.259 1.00 0.00 O ATOM 0 H GLU A 67 0.881 -4.725 0.992 1.00 0.00 H new ATOM 0 HA GLU A 67 0.387 -7.572 0.684 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.073 -6.236 3.187 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.637 -6.517 2.448 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.572 -8.701 2.946 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.002 -8.893 2.192 1.00 0.00 H new ATOM 877 N SER A 68 -2.000 -6.964 -0.238 1.00 0.00 N ATOM 878 CA SER A 68 -3.085 -6.569 -1.127 1.00 0.00 C ATOM 879 C SER A 68 -4.199 -5.894 -0.342 1.00 0.00 C ATOM 880 O SER A 68 -4.751 -6.464 0.599 1.00 0.00 O ATOM 881 CB SER A 68 -3.635 -7.777 -1.888 1.00 0.00 C ATOM 882 OG SER A 68 -4.426 -8.596 -1.044 1.00 0.00 O ATOM 0 H SER A 68 -2.037 -7.935 0.071 1.00 0.00 H new ATOM 0 HA SER A 68 -2.685 -5.859 -1.851 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.233 -7.436 -2.733 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.809 -8.360 -2.296 1.00 0.00 H new ATOM 0 HG SER A 68 -4.705 -8.082 -0.258 1.00 0.00 H new ATOM 888 N VAL A 69 -4.514 -4.668 -0.735 1.00 0.00 N ATOM 889 CA VAL A 69 -5.540 -3.882 -0.071 1.00 0.00 C ATOM 890 C VAL A 69 -6.801 -4.693 0.191 1.00 0.00 C ATOM 891 O VAL A 69 -7.637 -4.865 -0.696 1.00 0.00 O ATOM 892 CB VAL A 69 -5.927 -2.655 -0.905 1.00 0.00 C ATOM 893 CG1 VAL A 69 -4.772 -1.672 -0.989 1.00 0.00 C ATOM 894 CG2 VAL A 69 -6.381 -3.075 -2.295 1.00 0.00 C ATOM 0 H VAL A 69 -4.067 -4.193 -1.519 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.110 -3.568 0.880 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.759 -2.155 -0.410 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.071 -0.810 -1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.501 -1.343 0.014 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.915 -2.157 -1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.652 -2.191 -2.872 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.571 -3.603 -2.798 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.246 -3.733 -2.212 1.00 0.00 H new ATOM 904 N LYS A 70 -6.952 -5.152 1.423 1.00 0.00 N ATOM 905 CA LYS A 70 -8.138 -5.901 1.813 1.00 0.00 C ATOM 906 C LYS A 70 -9.177 -4.967 2.424 1.00 0.00 C ATOM 907 O LYS A 70 -9.074 -4.587 3.590 1.00 0.00 O ATOM 908 CB LYS A 70 -7.777 -7.003 2.810 1.00 0.00 C ATOM 909 CG LYS A 70 -7.524 -8.353 2.161 1.00 0.00 C ATOM 910 CD LYS A 70 -8.787 -9.196 2.121 1.00 0.00 C ATOM 911 CE LYS A 70 -8.785 -10.150 0.938 1.00 0.00 C ATOM 912 NZ LYS A 70 -9.371 -11.473 1.290 1.00 0.00 N ATOM 0 H LYS A 70 -6.270 -5.020 2.170 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.558 -6.363 0.920 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.887 -6.703 3.363 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.584 -7.104 3.535 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.151 -8.207 1.147 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.748 -8.884 2.713 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.876 -9.764 3.047 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.659 -8.544 2.062 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.350 -9.710 0.116 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.763 -10.288 0.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.351 -12.094 0.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.817 -11.905 2.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.355 -11.345 1.603 1.00 0.00 H new ATOM 926 N CYS A 71 -10.158 -4.571 1.619 1.00 0.00 N ATOM 927 CA CYS A 71 -11.215 -3.681 2.087 1.00 0.00 C ATOM 928 C CYS A 71 -12.404 -4.488 2.582 1.00 0.00 C ATOM 929 O CYS A 71 -13.043 -5.212 1.818 1.00 0.00 O ATOM 930 CB CYS A 71 -11.679 -2.701 0.993 1.00 0.00 C ATOM 931 SG CYS A 71 -10.701 -2.707 -0.551 1.00 0.00 S ATOM 0 H CYS A 71 -10.243 -4.851 0.642 1.00 0.00 H new ATOM 0 HA CYS A 71 -10.798 -3.095 2.906 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -12.716 -2.928 0.745 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -11.664 -1.692 1.406 1.00 0.00 H new ATOM 936 N GLN A 72 -12.687 -4.363 3.869 1.00 0.00 N ATOM 937 CA GLN A 72 -13.804 -5.065 4.478 1.00 0.00 C ATOM 938 C GLN A 72 -15.120 -4.489 4.003 1.00 0.00 C ATOM 939 O GLN A 72 -15.175 -3.781 2.997 1.00 0.00 O ATOM 940 CB GLN A 72 -13.703 -4.989 6.001 1.00 0.00 C ATOM 941 CG GLN A 72 -14.007 -3.614 6.570 1.00 0.00 C ATOM 942 CD GLN A 72 -12.821 -2.673 6.492 1.00 0.00 C ATOM 943 OE1 GLN A 72 -12.933 -1.556 5.988 1.00 0.00 O ATOM 944 NE2 GLN A 72 -11.675 -3.121 6.991 1.00 0.00 N ATOM 0 H GLN A 72 -12.155 -3.779 4.514 1.00 0.00 H new ATOM 0 HA GLN A 72 -13.764 -6.112 4.176 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -14.392 -5.712 6.438 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -12.698 -5.283 6.304 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -14.847 -3.179 6.029 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -14.317 -3.716 7.610 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.627 -4.054 7.400 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -10.843 -2.532 6.966 1.00 0.00 H new ATOM 953 N SER A 73 -16.186 -4.808 4.721 1.00 0.00 N ATOM 954 CA SER A 73 -17.502 -4.328 4.404 1.00 0.00 C ATOM 955 C SER A 73 -17.480 -2.851 3.995 1.00 0.00 C ATOM 956 O SER A 73 -16.841 -2.030 4.652 1.00 0.00 O ATOM 957 CB SER A 73 -18.374 -4.530 5.630 1.00 0.00 C ATOM 958 OG SER A 73 -17.616 -4.966 6.747 1.00 0.00 O ATOM 0 H SER A 73 -16.151 -5.411 5.543 1.00 0.00 H new ATOM 0 HA SER A 73 -17.900 -4.882 3.554 1.00 0.00 H new ATOM 0 HB2 SER A 73 -18.879 -3.596 5.875 1.00 0.00 H new ATOM 0 HB3 SER A 73 -19.150 -5.263 5.408 1.00 0.00 H new ATOM 0 HG SER A 73 -18.209 -5.084 7.518 1.00 0.00 H new ATOM 964 N PRO A 74 -18.140 -2.502 2.877 1.00 0.00 N ATOM 965 CA PRO A 74 -18.157 -1.125 2.371 1.00 0.00 C ATOM 966 C PRO A 74 -18.639 -0.125 3.422 1.00 0.00 C ATOM 967 O PRO A 74 -19.187 -0.510 4.455 1.00 0.00 O ATOM 968 CB PRO A 74 -19.127 -1.186 1.188 1.00 0.00 C ATOM 969 CG PRO A 74 -19.127 -2.617 0.767 1.00 0.00 C ATOM 970 CD PRO A 74 -18.916 -3.416 2.020 1.00 0.00 C ATOM 0 HA PRO A 74 -17.161 -0.780 2.095 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -20.126 -0.859 1.478 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -18.802 -0.535 0.376 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -20.070 -2.883 0.288 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -18.336 -2.811 0.043 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -19.862 -3.696 2.483 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -18.373 -4.340 1.821 1.00 0.00 H new ATOM 978 N PRO A 75 -18.419 1.180 3.177 1.00 0.00 N ATOM 979 CA PRO A 75 -18.809 2.240 4.106 1.00 0.00 C ATOM 980 C PRO A 75 -20.163 1.991 4.760 1.00 0.00 C ATOM 981 O PRO A 75 -20.969 1.202 4.268 1.00 0.00 O ATOM 982 CB PRO A 75 -18.869 3.470 3.205 1.00 0.00 C ATOM 983 CG PRO A 75 -17.832 3.220 2.162 1.00 0.00 C ATOM 984 CD PRO A 75 -17.762 1.724 1.973 1.00 0.00 C ATOM 0 HA PRO A 75 -18.115 2.326 4.942 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -19.857 3.589 2.761 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -18.658 4.382 3.764 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -18.094 3.717 1.228 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -16.866 3.617 2.473 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -18.275 1.412 1.063 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -16.731 1.380 1.891 1.00 0.00 H new ATOM 992 N SER A 76 -20.402 2.676 5.872 1.00 0.00 N ATOM 993 CA SER A 76 -21.660 2.553 6.596 1.00 0.00 C ATOM 994 C SER A 76 -22.485 3.825 6.449 1.00 0.00 C ATOM 995 O SER A 76 -22.380 4.742 7.264 1.00 0.00 O ATOM 996 CB SER A 76 -21.395 2.269 8.076 1.00 0.00 C ATOM 997 OG SER A 76 -22.527 1.681 8.694 1.00 0.00 O ATOM 0 H SER A 76 -19.737 3.325 6.293 1.00 0.00 H new ATOM 0 HA SER A 76 -22.222 1.721 6.172 1.00 0.00 H new ATOM 0 HB2 SER A 76 -20.537 1.604 8.174 1.00 0.00 H new ATOM 0 HB3 SER A 76 -21.139 3.197 8.587 1.00 0.00 H new ATOM 0 HG SER A 76 -22.331 1.508 9.639 1.00 0.00 H new ATOM 1003 N ILE A 77 -23.302 3.879 5.403 1.00 0.00 N ATOM 1004 CA ILE A 77 -24.126 5.052 5.142 1.00 0.00 C ATOM 1005 C ILE A 77 -25.225 5.198 6.185 1.00 0.00 C ATOM 1006 O ILE A 77 -25.415 4.324 7.031 1.00 0.00 O ATOM 1007 CB ILE A 77 -24.770 4.997 3.742 1.00 0.00 C ATOM 1008 CG1 ILE A 77 -25.756 3.829 3.646 1.00 0.00 C ATOM 1009 CG2 ILE A 77 -23.699 4.882 2.671 1.00 0.00 C ATOM 1010 CD1 ILE A 77 -26.763 3.981 2.527 1.00 0.00 C ATOM 0 H ILE A 77 -23.411 3.126 4.724 1.00 0.00 H new ATOM 0 HA ILE A 77 -23.461 5.914 5.192 1.00 0.00 H new ATOM 0 HB ILE A 77 -25.322 5.923 3.580 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -25.198 2.904 3.499 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -26.288 3.734 4.593 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -24.170 4.844 1.689 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -23.038 5.747 2.724 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -23.120 3.972 2.831 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -27.429 3.118 2.518 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -27.346 4.889 2.683 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -26.240 4.046 1.573 1.00 0.00 H new ATOM 1022 N SER A 78 -25.945 6.311 6.118 1.00 0.00 N ATOM 1023 CA SER A 78 -27.032 6.574 7.049 1.00 0.00 C ATOM 1024 C SER A 78 -28.359 6.093 6.478 1.00 0.00 C ATOM 1025 O SER A 78 -28.609 6.209 5.278 1.00 0.00 O ATOM 1026 CB SER A 78 -27.110 8.069 7.366 1.00 0.00 C ATOM 1027 OG SER A 78 -25.841 8.580 7.735 1.00 0.00 O ATOM 0 H SER A 78 -25.794 7.046 5.427 1.00 0.00 H new ATOM 0 HA SER A 78 -26.832 6.026 7.970 1.00 0.00 H new ATOM 0 HB2 SER A 78 -27.484 8.609 6.496 1.00 0.00 H new ATOM 0 HB3 SER A 78 -27.822 8.236 8.175 1.00 0.00 H new ATOM 0 HG SER A 78 -25.918 9.537 7.931 1.00 0.00 H new ATOM 1033 N ASN A 79 -29.203 5.541 7.342 1.00 0.00 N ATOM 1034 CA ASN A 79 -30.501 5.040 6.920 1.00 0.00 C ATOM 1035 C ASN A 79 -30.347 3.993 5.825 1.00 0.00 C ATOM 1036 O ASN A 79 -31.214 3.849 4.963 1.00 0.00 O ATOM 1037 CB ASN A 79 -31.373 6.191 6.420 1.00 0.00 C ATOM 1038 CG ASN A 79 -31.223 7.441 7.262 1.00 0.00 C ATOM 1039 OD1 ASN A 79 -31.581 7.458 8.440 1.00 0.00 O ATOM 1040 ND2 ASN A 79 -30.697 8.498 6.659 1.00 0.00 N ATOM 0 H ASN A 79 -29.010 5.430 8.337 1.00 0.00 H new ATOM 0 HA ASN A 79 -30.982 4.574 7.780 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -31.110 6.419 5.387 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -32.417 5.879 6.422 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -30.575 9.370 7.173 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -30.414 8.439 5.681 1.00 0.00 H new ATOM 1047 N GLY A 80 -29.239 3.260 5.865 1.00 0.00 N ATOM 1048 CA GLY A 80 -29.000 2.234 4.867 1.00 0.00 C ATOM 1049 C GLY A 80 -27.812 1.353 5.197 1.00 0.00 C ATOM 1050 O GLY A 80 -27.320 1.354 6.325 1.00 0.00 O ATOM 0 H GLY A 80 -28.506 3.357 6.567 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -29.891 1.613 4.772 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -28.837 2.707 3.899 1.00 0.00 H new ATOM 1054 N ARG A 81 -27.361 0.590 4.207 1.00 0.00 N ATOM 1055 CA ARG A 81 -26.234 -0.316 4.385 1.00 0.00 C ATOM 1056 C ARG A 81 -25.770 -0.870 3.046 1.00 0.00 C ATOM 1057 O ARG A 81 -26.276 -0.486 1.992 1.00 0.00 O ATOM 1058 CB ARG A 81 -26.618 -1.465 5.316 1.00 0.00 C ATOM 1059 CG ARG A 81 -28.062 -1.915 5.172 1.00 0.00 C ATOM 1060 CD ARG A 81 -28.511 -2.725 6.376 1.00 0.00 C ATOM 1061 NE ARG A 81 -29.175 -3.965 5.985 1.00 0.00 N ATOM 1062 CZ ARG A 81 -30.342 -4.006 5.349 1.00 0.00 C ATOM 1063 NH1 ARG A 81 -30.970 -2.880 5.036 1.00 0.00 N ATOM 1064 NH2 ARG A 81 -30.882 -5.173 5.026 1.00 0.00 N ATOM 0 H ARG A 81 -27.762 0.582 3.269 1.00 0.00 H new ATOM 0 HA ARG A 81 -25.415 0.247 4.832 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -25.962 -2.313 5.121 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -26.444 -1.158 6.347 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -28.707 -1.044 5.056 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -28.170 -2.514 4.268 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -27.647 -2.957 6.999 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -29.190 -2.126 6.983 1.00 0.00 H new ATOM 0 HE ARG A 81 -28.719 -4.848 6.212 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -30.558 -1.980 5.283 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -31.865 -2.914 4.548 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -30.402 -6.041 5.265 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -31.777 -5.203 4.538 1.00 0.00 H new ATOM 1078 N HIS A 82 -24.807 -1.781 3.096 1.00 0.00 N ATOM 1079 CA HIS A 82 -24.272 -2.393 1.887 1.00 0.00 C ATOM 1080 C HIS A 82 -24.771 -3.827 1.734 1.00 0.00 C ATOM 1081 O HIS A 82 -25.403 -4.374 2.638 1.00 0.00 O ATOM 1082 CB HIS A 82 -22.745 -2.375 1.916 1.00 0.00 C ATOM 1083 CG HIS A 82 -22.165 -2.866 3.205 1.00 0.00 C ATOM 1084 ND1 HIS A 82 -22.228 -4.185 3.606 1.00 0.00 N ATOM 1085 CD2 HIS A 82 -21.512 -2.206 4.192 1.00 0.00 C ATOM 1086 CE1 HIS A 82 -21.638 -4.314 4.781 1.00 0.00 C ATOM 1087 NE2 HIS A 82 -21.195 -3.129 5.157 1.00 0.00 N ATOM 0 H HIS A 82 -24.380 -2.113 3.961 1.00 0.00 H new ATOM 0 HA HIS A 82 -24.621 -1.813 1.032 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -22.367 -2.990 1.099 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -22.398 -1.357 1.735 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -22.662 -4.942 3.078 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -21.284 -1.151 4.215 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -21.536 -5.233 5.339 1.00 0.00 H new ATOM 1096 N ASN A 83 -24.484 -4.429 0.583 1.00 0.00 N ATOM 1097 CA ASN A 83 -24.901 -5.800 0.313 1.00 0.00 C ATOM 1098 C ASN A 83 -23.717 -6.759 0.429 1.00 0.00 C ATOM 1099 O ASN A 83 -23.463 -7.317 1.497 1.00 0.00 O ATOM 1100 CB ASN A 83 -25.530 -5.901 -1.078 1.00 0.00 C ATOM 1101 CG ASN A 83 -26.844 -5.155 -1.178 1.00 0.00 C ATOM 1102 OD1 ASN A 83 -27.467 -4.831 -0.167 1.00 0.00 O ATOM 1103 ND2 ASN A 83 -27.267 -4.871 -2.403 1.00 0.00 N ATOM 0 H ASN A 83 -23.965 -3.989 -0.177 1.00 0.00 H new ATOM 0 HA ASN A 83 -25.646 -6.083 1.056 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -24.834 -5.504 -1.817 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -25.692 -6.950 -1.324 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -28.142 -4.364 -2.536 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -26.717 -5.160 -3.212 1.00 0.00 H new ATOM 1165 N PHE A 88 -14.688 -9.716 2.933 1.00 0.00 N ATOM 1166 CA PHE A 88 -13.595 -8.821 2.574 1.00 0.00 C ATOM 1167 C PHE A 88 -13.597 -8.524 1.078 1.00 0.00 C ATOM 1168 O PHE A 88 -14.336 -9.144 0.313 1.00 0.00 O ATOM 1169 CB PHE A 88 -12.255 -9.434 2.982 1.00 0.00 C ATOM 1170 CG PHE A 88 -11.819 -9.054 4.364 1.00 0.00 C ATOM 1171 CD1 PHE A 88 -12.198 -9.811 5.459 1.00 0.00 C ATOM 1172 CD2 PHE A 88 -11.030 -7.936 4.565 1.00 0.00 C ATOM 1173 CE1 PHE A 88 -11.795 -9.459 6.732 1.00 0.00 C ATOM 1174 CE2 PHE A 88 -10.624 -7.578 5.833 1.00 0.00 C ATOM 1175 CZ PHE A 88 -11.007 -8.340 6.920 1.00 0.00 C ATOM 0 HA PHE A 88 -13.738 -7.882 3.109 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -12.327 -10.520 2.918 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.491 -9.123 2.270 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -12.815 -10.686 5.316 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.728 -7.336 3.719 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -12.095 -10.058 7.579 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -10.007 -6.703 5.976 1.00 0.00 H new ATOM 0 HZ PHE A 88 -10.691 -8.061 7.914 1.00 0.00 H new ATOM 1185 N TYR A 89 -12.762 -7.573 0.668 1.00 0.00 N ATOM 1186 CA TYR A 89 -12.675 -7.183 -0.734 1.00 0.00 C ATOM 1187 C TYR A 89 -11.287 -6.640 -1.064 1.00 0.00 C ATOM 1188 O TYR A 89 -10.516 -6.302 -0.168 1.00 0.00 O ATOM 1189 CB TYR A 89 -13.738 -6.130 -1.048 1.00 0.00 C ATOM 1190 CG TYR A 89 -15.142 -6.573 -0.706 1.00 0.00 C ATOM 1191 CD1 TYR A 89 -15.928 -7.235 -1.640 1.00 0.00 C ATOM 1192 CD2 TYR A 89 -15.675 -6.343 0.555 1.00 0.00 C ATOM 1193 CE1 TYR A 89 -17.210 -7.644 -1.330 1.00 0.00 C ATOM 1194 CE2 TYR A 89 -16.958 -6.744 0.870 1.00 0.00 C ATOM 1195 CZ TYR A 89 -17.720 -7.396 -0.075 1.00 0.00 C ATOM 1196 OH TYR A 89 -18.995 -7.803 0.237 1.00 0.00 O ATOM 0 H TYR A 89 -12.136 -7.059 1.288 1.00 0.00 H new ATOM 0 HA TYR A 89 -12.850 -8.066 -1.348 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -13.509 -5.218 -0.497 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -13.691 -5.882 -2.109 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -15.530 -7.433 -2.624 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -15.076 -5.842 1.302 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -17.810 -8.156 -2.068 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -17.362 -6.548 1.852 1.00 0.00 H new ATOM 0 HH TYR A 89 -19.201 -7.552 1.162 1.00 0.00 H new ATOM 1206 N THR A 90 -10.974 -6.554 -2.354 1.00 0.00 N ATOM 1207 CA THR A 90 -9.672 -6.062 -2.787 1.00 0.00 C ATOM 1208 C THR A 90 -9.770 -5.281 -4.092 1.00 0.00 C ATOM 1209 O THR A 90 -10.860 -5.053 -4.615 1.00 0.00 O ATOM 1210 CB THR A 90 -8.703 -7.230 -2.951 1.00 0.00 C ATOM 1211 OG1 THR A 90 -9.334 -8.321 -3.599 1.00 0.00 O ATOM 1212 CG2 THR A 90 -8.164 -7.724 -1.633 1.00 0.00 C ATOM 0 H THR A 90 -11.602 -6.818 -3.114 1.00 0.00 H new ATOM 0 HA THR A 90 -9.301 -5.383 -2.020 1.00 0.00 H new ATOM 0 HB THR A 90 -7.876 -6.850 -3.551 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.695 -9.058 -3.696 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.480 -8.555 -1.808 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.632 -6.916 -1.131 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.989 -8.060 -1.005 1.00 0.00 H new ATOM 1220 N ASP A 91 -8.618 -4.869 -4.606 1.00 0.00 N ATOM 1221 CA ASP A 91 -8.560 -4.098 -5.837 1.00 0.00 C ATOM 1222 C ASP A 91 -9.356 -4.754 -6.944 1.00 0.00 C ATOM 1223 O ASP A 91 -8.846 -5.599 -7.681 1.00 0.00 O ATOM 1224 CB ASP A 91 -7.119 -3.920 -6.296 1.00 0.00 C ATOM 1225 CG ASP A 91 -6.373 -5.236 -6.387 1.00 0.00 C ATOM 1226 OD1 ASP A 91 -6.092 -5.834 -5.328 1.00 0.00 O ATOM 1227 OD2 ASP A 91 -6.072 -5.670 -7.519 1.00 0.00 O ATOM 0 H ASP A 91 -7.708 -5.058 -4.185 1.00 0.00 H new ATOM 0 HA ASP A 91 -8.998 -3.123 -5.623 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -7.109 -3.432 -7.271 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -6.599 -3.258 -5.603 1.00 0.00 H new ATOM 1232 N GLY A 92 -10.595 -4.328 -7.082 1.00 0.00 N ATOM 1233 CA GLY A 92 -11.427 -4.832 -8.148 1.00 0.00 C ATOM 1234 C GLY A 92 -12.723 -5.451 -7.662 1.00 0.00 C ATOM 1235 O GLY A 92 -13.301 -6.296 -8.345 1.00 0.00 O ATOM 0 H GLY A 92 -11.042 -3.641 -6.475 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -11.658 -4.017 -8.834 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.867 -5.577 -8.714 1.00 0.00 H new ATOM 1239 N SER A 93 -13.188 -5.041 -6.485 1.00 0.00 N ATOM 1240 CA SER A 93 -14.429 -5.581 -5.939 1.00 0.00 C ATOM 1241 C SER A 93 -15.540 -4.538 -5.964 1.00 0.00 C ATOM 1242 O SER A 93 -15.279 -3.338 -5.924 1.00 0.00 O ATOM 1243 CB SER A 93 -14.215 -6.084 -4.510 1.00 0.00 C ATOM 1244 OG SER A 93 -12.851 -6.380 -4.270 1.00 0.00 O ATOM 0 H SER A 93 -12.730 -4.345 -5.897 1.00 0.00 H new ATOM 0 HA SER A 93 -14.731 -6.419 -6.567 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.556 -5.330 -3.801 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.819 -6.976 -4.341 1.00 0.00 H new ATOM 0 HG SER A 93 -12.343 -5.545 -4.199 1.00 0.00 H new ATOM 1250 N VAL A 94 -16.782 -5.005 -6.040 1.00 0.00 N ATOM 1251 CA VAL A 94 -17.932 -4.111 -6.075 1.00 0.00 C ATOM 1252 C VAL A 94 -19.017 -4.575 -5.108 1.00 0.00 C ATOM 1253 O VAL A 94 -19.108 -5.757 -4.776 1.00 0.00 O ATOM 1254 CB VAL A 94 -18.522 -4.009 -7.496 1.00 0.00 C ATOM 1255 CG1 VAL A 94 -17.481 -3.471 -8.463 1.00 0.00 C ATOM 1256 CG2 VAL A 94 -19.767 -3.133 -7.507 1.00 0.00 C ATOM 0 H VAL A 94 -17.017 -5.997 -6.078 1.00 0.00 H new ATOM 0 HA VAL A 94 -17.580 -3.126 -5.770 1.00 0.00 H new ATOM 0 HB VAL A 94 -18.812 -5.009 -7.818 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -17.912 -3.405 -9.462 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -17.161 -2.481 -8.139 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -16.622 -4.141 -8.483 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -20.164 -3.077 -8.521 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -20.520 -3.562 -6.846 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -19.510 -2.131 -7.162 1.00 0.00 H new ATOM 1266 N VAL A 95 -19.841 -3.632 -4.666 1.00 0.00 N ATOM 1267 CA VAL A 95 -20.924 -3.934 -3.738 1.00 0.00 C ATOM 1268 C VAL A 95 -22.109 -3.003 -3.957 1.00 0.00 C ATOM 1269 O VAL A 95 -21.939 -1.835 -4.306 1.00 0.00 O ATOM 1270 CB VAL A 95 -20.462 -3.811 -2.276 1.00 0.00 C ATOM 1271 CG1 VAL A 95 -21.502 -4.383 -1.329 1.00 0.00 C ATOM 1272 CG2 VAL A 95 -19.125 -4.501 -2.080 1.00 0.00 C ATOM 0 H VAL A 95 -19.779 -2.650 -4.936 1.00 0.00 H new ATOM 0 HA VAL A 95 -21.227 -4.963 -3.933 1.00 0.00 H new ATOM 0 HB VAL A 95 -20.341 -2.752 -2.046 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -21.152 -4.284 -0.301 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -22.439 -3.839 -1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -21.662 -5.437 -1.558 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -18.814 -4.403 -1.040 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -19.220 -5.557 -2.333 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -18.379 -4.039 -2.726 1.00 0.00 H new ATOM 1282 N THR A 96 -23.310 -3.525 -3.741 1.00 0.00 N ATOM 1283 CA THR A 96 -24.523 -2.737 -3.901 1.00 0.00 C ATOM 1284 C THR A 96 -25.036 -2.262 -2.549 1.00 0.00 C ATOM 1285 O THR A 96 -25.044 -3.015 -1.575 1.00 0.00 O ATOM 1286 CB THR A 96 -25.600 -3.555 -4.616 1.00 0.00 C ATOM 1287 OG1 THR A 96 -25.280 -4.936 -4.591 1.00 0.00 O ATOM 1288 CG2 THR A 96 -25.795 -3.154 -6.062 1.00 0.00 C ATOM 0 H THR A 96 -23.469 -4.491 -3.455 1.00 0.00 H new ATOM 0 HA THR A 96 -24.286 -1.863 -4.508 1.00 0.00 H new ATOM 0 HB THR A 96 -26.524 -3.354 -4.073 1.00 0.00 H new ATOM 0 HG1 THR A 96 -25.981 -5.443 -5.051 1.00 0.00 H new ATOM 0 HG21 THR A 96 -26.572 -3.773 -6.510 1.00 0.00 H new ATOM 0 HG22 THR A 96 -26.092 -2.106 -6.112 1.00 0.00 H new ATOM 0 HG23 THR A 96 -24.862 -3.293 -6.607 1.00 0.00 H new ATOM 1296 N TYR A 97 -25.446 -1.002 -2.491 1.00 0.00 N ATOM 1297 CA TYR A 97 -25.942 -0.417 -1.256 1.00 0.00 C ATOM 1298 C TYR A 97 -27.462 -0.450 -1.208 1.00 0.00 C ATOM 1299 O TYR A 97 -28.125 -0.566 -2.238 1.00 0.00 O ATOM 1300 CB TYR A 97 -25.444 1.020 -1.118 1.00 0.00 C ATOM 1301 CG TYR A 97 -24.115 1.128 -0.415 1.00 0.00 C ATOM 1302 CD1 TYR A 97 -23.036 0.358 -0.820 1.00 0.00 C ATOM 1303 CD2 TYR A 97 -23.939 2.001 0.648 1.00 0.00 C ATOM 1304 CE1 TYR A 97 -21.817 0.449 -0.183 1.00 0.00 C ATOM 1305 CE2 TYR A 97 -22.719 2.101 1.290 1.00 0.00 C ATOM 1306 CZ TYR A 97 -21.661 1.324 0.869 1.00 0.00 C ATOM 1307 OH TYR A 97 -20.443 1.419 1.503 1.00 0.00 O ATOM 0 H TYR A 97 -25.444 -0.365 -3.288 1.00 0.00 H new ATOM 0 HA TYR A 97 -25.562 -1.009 -0.423 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -25.359 1.464 -2.110 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -26.185 1.602 -0.570 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -23.152 -0.325 -1.649 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -24.767 2.611 0.979 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -20.988 -0.163 -0.507 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -22.595 2.784 2.117 1.00 0.00 H new ATOM 0 HH TYR A 97 -20.560 1.254 2.462 1.00 0.00 H new ATOM 1317 N SER A 98 -28.006 -0.355 -0.003 1.00 0.00 N ATOM 1318 CA SER A 98 -29.452 -0.385 0.180 1.00 0.00 C ATOM 1319 C SER A 98 -29.860 0.276 1.492 1.00 0.00 C ATOM 1320 O SER A 98 -29.178 0.140 2.507 1.00 0.00 O ATOM 1321 CB SER A 98 -29.958 -1.828 0.150 1.00 0.00 C ATOM 1322 OG SER A 98 -29.770 -2.462 1.403 1.00 0.00 O ATOM 0 H SER A 98 -27.471 -0.257 0.860 1.00 0.00 H new ATOM 0 HA SER A 98 -29.903 0.175 -0.639 1.00 0.00 H new ATOM 0 HB2 SER A 98 -31.016 -1.840 -0.112 1.00 0.00 H new ATOM 0 HB3 SER A 98 -29.432 -2.385 -0.625 1.00 0.00 H new ATOM 0 HG SER A 98 -30.103 -3.382 1.357 1.00 0.00 H new ATOM 1328 N CYS A 99 -30.988 0.978 1.466 1.00 0.00 N ATOM 1329 CA CYS A 99 -31.498 1.651 2.654 1.00 0.00 C ATOM 1330 C CYS A 99 -32.056 0.640 3.651 1.00 0.00 C ATOM 1331 O CYS A 99 -32.244 -0.530 3.321 1.00 0.00 O ATOM 1332 CB CYS A 99 -32.583 2.655 2.268 1.00 0.00 C ATOM 1333 SG CYS A 99 -32.064 3.857 1.001 1.00 0.00 S ATOM 0 H CYS A 99 -31.567 1.095 0.634 1.00 0.00 H new ATOM 0 HA CYS A 99 -30.672 2.183 3.125 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -33.454 2.111 1.903 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -32.897 3.196 3.161 1.00 0.00 H new ATOM 1338 N ASN A 100 -32.320 1.098 4.871 1.00 0.00 N ATOM 1339 CA ASN A 100 -32.871 0.225 5.907 1.00 0.00 C ATOM 1340 C ASN A 100 -34.382 0.396 6.015 1.00 0.00 C ATOM 1341 O ASN A 100 -35.146 -0.346 5.398 1.00 0.00 O ATOM 1342 CB ASN A 100 -32.218 0.489 7.272 1.00 0.00 C ATOM 1343 CG ASN A 100 -31.703 1.908 7.436 1.00 0.00 C ATOM 1344 OD1 ASN A 100 -32.399 2.874 7.125 1.00 0.00 O ATOM 1345 ND2 ASN A 100 -30.478 2.035 7.935 1.00 0.00 N ATOM 0 H ASN A 100 -32.163 2.061 5.167 1.00 0.00 H new ATOM 0 HA ASN A 100 -32.650 -0.802 5.614 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -32.944 0.282 8.059 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -31.391 -0.207 7.410 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -30.078 2.963 8.075 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -29.938 1.205 8.179 1.00 0.00 H new ATOM 1352 N SER A 101 -34.807 1.380 6.801 1.00 0.00 N ATOM 1353 CA SER A 101 -36.230 1.645 6.999 1.00 0.00 C ATOM 1354 C SER A 101 -36.981 1.668 5.670 1.00 0.00 C ATOM 1355 O SER A 101 -38.165 1.336 5.610 1.00 0.00 O ATOM 1356 CB SER A 101 -36.426 2.976 7.728 1.00 0.00 C ATOM 1357 OG SER A 101 -37.664 3.004 8.416 1.00 0.00 O ATOM 0 H SER A 101 -34.187 2.008 7.312 1.00 0.00 H new ATOM 0 HA SER A 101 -36.637 0.837 7.607 1.00 0.00 H new ATOM 0 HB2 SER A 101 -35.610 3.131 8.434 1.00 0.00 H new ATOM 0 HB3 SER A 101 -36.386 3.796 7.011 1.00 0.00 H new ATOM 0 HG SER A 101 -37.764 3.864 8.875 1.00 0.00 H new ATOM 1363 N GLY A 102 -36.287 2.065 4.608 1.00 0.00 N ATOM 1364 CA GLY A 102 -36.906 2.122 3.297 1.00 0.00 C ATOM 1365 C GLY A 102 -36.716 3.468 2.623 1.00 0.00 C ATOM 1366 O GLY A 102 -37.658 4.029 2.064 1.00 0.00 O ATOM 0 H GLY A 102 -35.307 2.348 4.632 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -36.484 1.340 2.665 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -37.972 1.914 3.393 1.00 0.00 H new ATOM 1370 N TYR A 103 -35.493 3.984 2.675 1.00 0.00 N ATOM 1371 CA TYR A 103 -35.174 5.268 2.068 1.00 0.00 C ATOM 1372 C TYR A 103 -34.897 5.105 0.576 1.00 0.00 C ATOM 1373 O TYR A 103 -35.098 4.029 0.013 1.00 0.00 O ATOM 1374 CB TYR A 103 -33.966 5.893 2.772 1.00 0.00 C ATOM 1375 CG TYR A 103 -34.322 6.616 4.051 1.00 0.00 C ATOM 1376 CD1 TYR A 103 -34.509 5.916 5.237 1.00 0.00 C ATOM 1377 CD2 TYR A 103 -34.479 7.997 4.073 1.00 0.00 C ATOM 1378 CE1 TYR A 103 -34.834 6.572 6.409 1.00 0.00 C ATOM 1379 CE2 TYR A 103 -34.804 8.659 5.242 1.00 0.00 C ATOM 1380 CZ TYR A 103 -34.983 7.943 6.406 1.00 0.00 C ATOM 1381 OH TYR A 103 -35.310 8.598 7.570 1.00 0.00 O ATOM 0 H TYR A 103 -34.704 3.529 3.134 1.00 0.00 H new ATOM 0 HA TYR A 103 -36.031 5.931 2.183 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -33.241 5.111 2.996 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -33.480 6.592 2.091 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -34.398 4.842 5.243 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -34.345 8.562 3.162 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -34.971 6.014 7.323 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -34.917 9.733 5.243 1.00 0.00 H new ATOM 0 HH TYR A 103 -35.376 9.560 7.396 1.00 0.00 H new ATOM 1391 N SER A 104 -34.447 6.180 -0.061 1.00 0.00 N ATOM 1392 CA SER A 104 -34.165 6.158 -1.489 1.00 0.00 C ATOM 1393 C SER A 104 -32.666 6.201 -1.758 1.00 0.00 C ATOM 1394 O SER A 104 -32.031 7.250 -1.639 1.00 0.00 O ATOM 1395 CB SER A 104 -34.849 7.337 -2.181 1.00 0.00 C ATOM 1396 OG SER A 104 -36.119 7.599 -1.609 1.00 0.00 O ATOM 0 H SER A 104 -34.270 7.077 0.390 1.00 0.00 H new ATOM 0 HA SER A 104 -34.558 5.224 -1.892 1.00 0.00 H new ATOM 0 HB2 SER A 104 -34.221 8.224 -2.100 1.00 0.00 H new ATOM 0 HB3 SER A 104 -34.963 7.123 -3.244 1.00 0.00 H new ATOM 0 HG SER A 104 -36.007 8.129 -0.792 1.00 0.00 H new ATOM 1402 N LEU A 105 -32.113 5.057 -2.149 1.00 0.00 N ATOM 1403 CA LEU A 105 -30.696 4.949 -2.469 1.00 0.00 C ATOM 1404 C LEU A 105 -30.249 6.099 -3.361 1.00 0.00 C ATOM 1405 O LEU A 105 -30.681 6.217 -4.507 1.00 0.00 O ATOM 1406 CB LEU A 105 -30.424 3.618 -3.169 1.00 0.00 C ATOM 1407 CG LEU A 105 -29.222 2.830 -2.647 1.00 0.00 C ATOM 1408 CD1 LEU A 105 -29.209 2.798 -1.127 1.00 0.00 C ATOM 1409 CD2 LEU A 105 -27.923 3.411 -3.185 1.00 0.00 C ATOM 0 H LEU A 105 -32.632 4.185 -2.252 1.00 0.00 H new ATOM 0 HA LEU A 105 -30.130 4.996 -1.539 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -31.312 2.993 -3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -30.276 3.811 -4.232 1.00 0.00 H new ATOM 0 HG LEU A 105 -29.311 1.804 -3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -28.344 2.231 -0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -29.153 3.816 -0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -30.121 2.323 -0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -27.081 2.836 -2.801 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -27.928 3.365 -4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -27.829 4.449 -2.866 1.00 0.00 H new ATOM 1421 N ILE A 106 -29.398 6.953 -2.816 1.00 0.00 N ATOM 1422 CA ILE A 106 -28.890 8.096 -3.551 1.00 0.00 C ATOM 1423 C ILE A 106 -27.671 7.703 -4.368 1.00 0.00 C ATOM 1424 O ILE A 106 -26.989 6.732 -4.050 1.00 0.00 O ATOM 1425 CB ILE A 106 -28.524 9.241 -2.597 1.00 0.00 C ATOM 1426 CG1 ILE A 106 -29.758 9.680 -1.811 1.00 0.00 C ATOM 1427 CG2 ILE A 106 -27.927 10.413 -3.360 1.00 0.00 C ATOM 1428 CD1 ILE A 106 -30.819 10.339 -2.664 1.00 0.00 C ATOM 0 H ILE A 106 -29.044 6.874 -1.863 1.00 0.00 H new ATOM 0 HA ILE A 106 -29.677 8.438 -4.223 1.00 0.00 H new ATOM 0 HB ILE A 106 -27.771 8.882 -1.896 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -30.191 8.811 -1.316 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -29.451 10.373 -1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -27.676 11.212 -2.662 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -27.025 10.088 -3.879 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -28.651 10.781 -4.087 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -31.664 10.624 -2.038 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -30.404 11.228 -3.139 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -31.154 9.641 -3.431 1.00 0.00 H new ATOM 1440 N GLY A 107 -27.403 8.460 -5.423 1.00 0.00 N ATOM 1441 CA GLY A 107 -26.283 8.145 -6.284 1.00 0.00 C ATOM 1442 C GLY A 107 -26.388 6.742 -6.838 1.00 0.00 C ATOM 1443 O GLY A 107 -27.441 6.340 -7.332 1.00 0.00 O ATOM 0 H GLY A 107 -27.939 9.283 -5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -26.242 8.860 -7.106 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -25.353 8.248 -5.725 1.00 0.00 H new ATOM 1447 N ASN A 108 -25.310 5.982 -6.723 1.00 0.00 N ATOM 1448 CA ASN A 108 -25.298 4.607 -7.200 1.00 0.00 C ATOM 1449 C ASN A 108 -25.105 3.628 -6.052 1.00 0.00 C ATOM 1450 O ASN A 108 -24.270 3.837 -5.172 1.00 0.00 O ATOM 1451 CB ASN A 108 -24.197 4.411 -8.235 1.00 0.00 C ATOM 1452 CG ASN A 108 -22.810 4.558 -7.643 1.00 0.00 C ATOM 1453 OD1 ASN A 108 -22.635 5.156 -6.582 1.00 0.00 O ATOM 1454 ND2 ASN A 108 -21.813 4.010 -8.328 1.00 0.00 N ATOM 0 H ASN A 108 -24.433 6.293 -6.304 1.00 0.00 H new ATOM 0 HA ASN A 108 -26.265 4.409 -7.663 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -24.295 3.421 -8.681 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -24.324 5.137 -9.038 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -20.857 4.076 -7.978 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -22.003 3.523 -9.204 1.00 0.00 H new ATOM 1461 N SER A 109 -25.884 2.558 -6.073 1.00 0.00 N ATOM 1462 CA SER A 109 -25.797 1.526 -5.056 1.00 0.00 C ATOM 1463 C SER A 109 -24.461 0.798 -5.148 1.00 0.00 C ATOM 1464 O SER A 109 -23.960 0.265 -4.157 1.00 0.00 O ATOM 1465 CB SER A 109 -26.957 0.545 -5.213 1.00 0.00 C ATOM 1466 OG SER A 109 -26.574 -0.599 -5.957 1.00 0.00 O ATOM 0 H SER A 109 -26.588 2.382 -6.790 1.00 0.00 H new ATOM 0 HA SER A 109 -25.862 1.992 -4.073 1.00 0.00 H new ATOM 0 HB2 SER A 109 -27.311 0.238 -4.229 1.00 0.00 H new ATOM 0 HB3 SER A 109 -27.790 1.042 -5.711 1.00 0.00 H new ATOM 0 HG SER A 109 -27.373 -1.042 -6.311 1.00 0.00 H new ATOM 1472 N GLY A 110 -23.884 0.795 -6.344 1.00 0.00 N ATOM 1473 CA GLY A 110 -22.612 0.133 -6.556 1.00 0.00 C ATOM 1474 C GLY A 110 -21.448 0.891 -5.945 1.00 0.00 C ATOM 1475 O GLY A 110 -21.419 2.122 -5.966 1.00 0.00 O ATOM 0 H GLY A 110 -24.277 1.241 -7.173 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -22.653 -0.869 -6.128 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -22.442 0.016 -7.626 1.00 0.00 H new ATOM 1479 N VAL A 111 -20.486 0.153 -5.400 1.00 0.00 N ATOM 1480 CA VAL A 111 -19.311 0.755 -4.780 1.00 0.00 C ATOM 1481 C VAL A 111 -18.050 -0.018 -5.141 1.00 0.00 C ATOM 1482 O VAL A 111 -17.940 -1.207 -4.850 1.00 0.00 O ATOM 1483 CB VAL A 111 -19.441 0.799 -3.252 1.00 0.00 C ATOM 1484 CG1 VAL A 111 -18.444 1.780 -2.658 1.00 0.00 C ATOM 1485 CG2 VAL A 111 -20.860 1.156 -2.843 1.00 0.00 C ATOM 0 H VAL A 111 -20.498 -0.867 -5.375 1.00 0.00 H new ATOM 0 HA VAL A 111 -19.240 1.774 -5.161 1.00 0.00 H new ATOM 0 HB VAL A 111 -19.216 -0.193 -2.861 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -18.552 1.797 -1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -17.431 1.471 -2.917 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -18.633 2.777 -3.057 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -20.930 1.182 -1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -21.120 2.135 -3.246 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -21.550 0.408 -3.233 1.00 0.00 H new ATOM 1495 N LEU A 112 -17.100 0.664 -5.768 1.00 0.00 N ATOM 1496 CA LEU A 112 -15.851 0.034 -6.178 1.00 0.00 C ATOM 1497 C LEU A 112 -14.887 -0.106 -5.005 1.00 0.00 C ATOM 1498 O LEU A 112 -14.676 0.838 -4.243 1.00 0.00 O ATOM 1499 CB LEU A 112 -15.185 0.850 -7.293 1.00 0.00 C ATOM 1500 CG LEU A 112 -13.728 0.491 -7.598 1.00 0.00 C ATOM 1501 CD1 LEU A 112 -12.810 1.166 -6.601 1.00 0.00 C ATOM 1502 CD2 LEU A 112 -13.524 -1.018 -7.586 1.00 0.00 C ATOM 0 H LEU A 112 -17.170 1.654 -6.004 1.00 0.00 H new ATOM 0 HA LEU A 112 -16.091 -0.963 -6.548 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -15.769 0.728 -8.205 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -15.231 1.905 -7.023 1.00 0.00 H new ATOM 0 HG LEU A 112 -13.484 0.850 -8.598 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.775 0.906 -6.825 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.934 2.247 -6.666 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -13.058 0.832 -5.594 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -12.481 -1.246 -7.805 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -13.783 -1.412 -6.603 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -14.162 -1.477 -8.341 1.00 0.00 H new ATOM 1514 N CYS A 113 -14.263 -1.273 -4.903 1.00 0.00 N ATOM 1515 CA CYS A 113 -13.268 -1.521 -3.873 1.00 0.00 C ATOM 1516 C CYS A 113 -11.879 -1.569 -4.496 1.00 0.00 C ATOM 1517 O CYS A 113 -11.545 -2.525 -5.201 1.00 0.00 O ATOM 1518 CB CYS A 113 -13.542 -2.845 -3.165 1.00 0.00 C ATOM 1519 SG CYS A 113 -12.248 -3.336 -1.979 1.00 0.00 S ATOM 0 H CYS A 113 -14.431 -2.064 -5.525 1.00 0.00 H new ATOM 0 HA CYS A 113 -13.321 -0.711 -3.146 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -14.494 -2.773 -2.639 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -13.650 -3.630 -3.914 1.00 0.00 H new ATOM 1524 N SER A 114 -11.075 -0.539 -4.252 1.00 0.00 N ATOM 1525 CA SER A 114 -9.732 -0.487 -4.815 1.00 0.00 C ATOM 1526 C SER A 114 -8.849 0.510 -4.076 1.00 0.00 C ATOM 1527 O SER A 114 -9.173 1.694 -3.984 1.00 0.00 O ATOM 1528 CB SER A 114 -9.795 -0.125 -6.295 1.00 0.00 C ATOM 1529 OG SER A 114 -10.738 -0.932 -6.980 1.00 0.00 O ATOM 0 H SER A 114 -11.327 0.263 -3.674 1.00 0.00 H new ATOM 0 HA SER A 114 -9.289 -1.476 -4.701 1.00 0.00 H new ATOM 0 HB2 SER A 114 -10.064 0.926 -6.404 1.00 0.00 H new ATOM 0 HB3 SER A 114 -8.810 -0.250 -6.745 1.00 0.00 H new ATOM 0 HG SER A 114 -10.849 -1.781 -6.504 1.00 0.00 H new ATOM 1535 N GLY A 115 -7.716 0.025 -3.578 1.00 0.00 N ATOM 1536 CA GLY A 115 -6.790 0.889 -2.870 1.00 0.00 C ATOM 1537 C GLY A 115 -7.052 0.921 -1.380 1.00 0.00 C ATOM 1538 O GLY A 115 -6.745 1.906 -0.708 1.00 0.00 O ATOM 0 H GLY A 115 -7.423 -0.949 -3.652 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.770 0.548 -3.049 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.863 1.900 -3.270 1.00 0.00 H new ATOM 1542 N GLY A 116 -7.619 -0.161 -0.863 1.00 0.00 N ATOM 1543 CA GLY A 116 -7.920 -0.236 0.552 1.00 0.00 C ATOM 1544 C GLY A 116 -9.073 0.664 0.939 1.00 0.00 C ATOM 1545 O GLY A 116 -9.254 0.983 2.114 1.00 0.00 O ATOM 0 H GLY A 116 -7.876 -0.989 -1.400 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.160 -1.266 0.817 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -7.036 0.042 1.125 1.00 0.00 H new ATOM 1549 N GLU A 117 -9.856 1.077 -0.053 1.00 0.00 N ATOM 1550 CA GLU A 117 -10.990 1.955 0.192 1.00 0.00 C ATOM 1551 C GLU A 117 -12.123 1.685 -0.786 1.00 0.00 C ATOM 1552 O GLU A 117 -12.011 0.841 -1.675 1.00 0.00 O ATOM 1553 CB GLU A 117 -10.556 3.418 0.087 1.00 0.00 C ATOM 1554 CG GLU A 117 -10.287 3.877 -1.338 1.00 0.00 C ATOM 1555 CD GLU A 117 -9.227 4.959 -1.412 1.00 0.00 C ATOM 1556 OE1 GLU A 117 -8.685 5.184 -2.515 1.00 0.00 O ATOM 1557 OE2 GLU A 117 -8.941 5.582 -0.369 1.00 0.00 O ATOM 0 H GLU A 117 -9.725 0.817 -1.031 1.00 0.00 H new ATOM 0 HA GLU A 117 -11.354 1.754 1.200 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -11.331 4.049 0.522 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -9.655 3.564 0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -9.972 3.023 -1.937 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -11.213 4.250 -1.777 1.00 0.00 H new ATOM 1564 N TRP A 118 -13.205 2.433 -0.624 1.00 0.00 N ATOM 1565 CA TRP A 118 -14.368 2.301 -1.481 1.00 0.00 C ATOM 1566 C TRP A 118 -14.670 3.622 -2.177 1.00 0.00 C ATOM 1567 O TRP A 118 -14.474 4.693 -1.603 1.00 0.00 O ATOM 1568 CB TRP A 118 -15.567 1.861 -0.650 1.00 0.00 C ATOM 1569 CG TRP A 118 -15.447 0.463 -0.129 1.00 0.00 C ATOM 1570 CD1 TRP A 118 -14.894 0.077 1.059 1.00 0.00 C ATOM 1571 CD2 TRP A 118 -15.890 -0.735 -0.775 1.00 0.00 C ATOM 1572 NE1 TRP A 118 -14.972 -1.287 1.192 1.00 0.00 N ATOM 1573 CE2 TRP A 118 -15.578 -1.807 0.079 1.00 0.00 C ATOM 1574 CE3 TRP A 118 -16.521 -1.004 -1.992 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 -15.874 -3.126 -0.244 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 -16.820 -2.316 -2.310 1.00 0.00 C ATOM 1577 CH2 TRP A 118 -16.494 -3.363 -1.439 1.00 0.00 C ATOM 0 H TRP A 118 -13.299 3.144 0.102 1.00 0.00 H new ATOM 0 HA TRP A 118 -14.162 1.550 -2.243 1.00 0.00 H new ATOM 0 HB2 TRP A 118 -15.688 2.545 0.190 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -16.469 1.939 -1.257 1.00 0.00 H new ATOM 0 HD1 TRP A 118 -14.459 0.746 1.787 1.00 0.00 H new ATOM 0 HE1 TRP A 118 -14.634 -1.826 1.990 1.00 0.00 H new ATOM 0 HE3 TRP A 118 -16.771 -0.202 -2.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 -15.623 -3.935 0.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 -17.313 -2.537 -3.245 1.00 0.00 H new ATOM 0 HH2 TRP A 118 -16.737 -4.378 -1.717 1.00 0.00 H new ATOM 1588 N SER A 119 -15.141 3.546 -3.416 1.00 0.00 N ATOM 1589 CA SER A 119 -15.450 4.745 -4.183 1.00 0.00 C ATOM 1590 C SER A 119 -16.870 4.702 -4.738 1.00 0.00 C ATOM 1591 O SER A 119 -17.405 3.632 -5.031 1.00 0.00 O ATOM 1592 CB SER A 119 -14.449 4.913 -5.328 1.00 0.00 C ATOM 1593 OG SER A 119 -13.541 3.826 -5.375 1.00 0.00 O ATOM 0 H SER A 119 -15.316 2.670 -3.909 1.00 0.00 H new ATOM 0 HA SER A 119 -15.376 5.598 -3.509 1.00 0.00 H new ATOM 0 HB2 SER A 119 -14.984 4.985 -6.275 1.00 0.00 H new ATOM 0 HB3 SER A 119 -13.899 5.845 -5.200 1.00 0.00 H new ATOM 0 HG SER A 119 -12.683 4.132 -5.736 1.00 0.00 H new ATOM 1599 N ASP A 120 -17.471 5.879 -4.880 1.00 0.00 N ATOM 1600 CA ASP A 120 -18.821 6.000 -5.418 1.00 0.00 C ATOM 1601 C ASP A 120 -19.874 5.474 -4.443 1.00 0.00 C ATOM 1602 O ASP A 120 -20.786 4.747 -4.840 1.00 0.00 O ATOM 1603 CB ASP A 120 -18.922 5.248 -6.745 1.00 0.00 C ATOM 1604 CG ASP A 120 -19.528 6.096 -7.846 1.00 0.00 C ATOM 1605 OD1 ASP A 120 -20.614 6.671 -7.624 1.00 0.00 O ATOM 1606 OD2 ASP A 120 -18.915 6.187 -8.931 1.00 0.00 O ATOM 0 H ASP A 120 -17.040 6.769 -4.628 1.00 0.00 H new ATOM 0 HA ASP A 120 -19.018 7.060 -5.578 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -17.928 4.919 -7.049 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -19.526 4.352 -6.606 1.00 0.00 H new ATOM 1611 N PRO A 121 -19.788 5.859 -3.157 1.00 0.00 N ATOM 1612 CA PRO A 121 -20.759 5.440 -2.143 1.00 0.00 C ATOM 1613 C PRO A 121 -22.062 6.233 -2.243 1.00 0.00 C ATOM 1614 O PRO A 121 -22.040 7.446 -2.453 1.00 0.00 O ATOM 1615 CB PRO A 121 -20.043 5.753 -0.832 1.00 0.00 C ATOM 1616 CG PRO A 121 -19.178 6.922 -1.158 1.00 0.00 C ATOM 1617 CD PRO A 121 -18.745 6.735 -2.590 1.00 0.00 C ATOM 0 HA PRO A 121 -21.048 4.394 -2.248 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -20.751 5.991 -0.038 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -19.452 4.904 -0.488 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -19.724 7.857 -1.035 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -18.316 6.966 -0.493 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -18.689 7.686 -3.119 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -17.758 6.276 -2.654 1.00 0.00 H new ATOM 1625 N PRO A 122 -23.217 5.563 -2.095 1.00 0.00 N ATOM 1626 CA PRO A 122 -24.518 6.210 -2.191 1.00 0.00 C ATOM 1627 C PRO A 122 -25.026 6.737 -0.863 1.00 0.00 C ATOM 1628 O PRO A 122 -24.334 6.689 0.154 1.00 0.00 O ATOM 1629 CB PRO A 122 -25.427 5.085 -2.674 1.00 0.00 C ATOM 1630 CG PRO A 122 -24.784 3.816 -2.206 1.00 0.00 C ATOM 1631 CD PRO A 122 -23.349 4.119 -1.854 1.00 0.00 C ATOM 0 HA PRO A 122 -24.479 7.082 -2.844 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -26.431 5.190 -2.264 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -25.523 5.098 -3.760 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -25.313 3.419 -1.339 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -24.832 3.055 -2.985 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -23.132 3.867 -0.816 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -22.658 3.547 -2.473 1.00 0.00 H new ATOM 1639 N THR A 123 -26.259 7.219 -0.889 1.00 0.00 N ATOM 1640 CA THR A 123 -26.916 7.726 0.307 1.00 0.00 C ATOM 1641 C THR A 123 -28.341 7.198 0.382 1.00 0.00 C ATOM 1642 O THR A 123 -28.743 6.359 -0.424 1.00 0.00 O ATOM 1643 CB THR A 123 -26.920 9.257 0.318 1.00 0.00 C ATOM 1644 OG1 THR A 123 -26.027 9.766 -0.658 1.00 0.00 O ATOM 1645 CG2 THR A 123 -26.529 9.849 1.654 1.00 0.00 C ATOM 0 H THR A 123 -26.829 7.270 -1.733 1.00 0.00 H new ATOM 0 HA THR A 123 -26.360 7.379 1.178 1.00 0.00 H new ATOM 0 HB THR A 123 -27.949 9.545 0.102 1.00 0.00 H new ATOM 0 HG1 THR A 123 -26.044 10.746 -0.638 1.00 0.00 H new ATOM 0 HG21 THR A 123 -26.553 10.937 1.591 1.00 0.00 H new ATOM 0 HG22 THR A 123 -27.230 9.515 2.419 1.00 0.00 H new ATOM 0 HG23 THR A 123 -25.523 9.523 1.916 1.00 0.00 H new ATOM 1653 N CYS A 124 -29.101 7.685 1.351 1.00 0.00 N ATOM 1654 CA CYS A 124 -30.475 7.241 1.520 1.00 0.00 C ATOM 1655 C CYS A 124 -31.368 8.383 1.984 1.00 0.00 C ATOM 1656 O CYS A 124 -31.468 8.664 3.179 1.00 0.00 O ATOM 1657 CB CYS A 124 -30.532 6.086 2.520 1.00 0.00 C ATOM 1658 SG CYS A 124 -30.118 4.464 1.801 1.00 0.00 S ATOM 0 H CYS A 124 -28.792 8.383 2.028 1.00 0.00 H new ATOM 0 HA CYS A 124 -30.843 6.897 0.554 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -29.845 6.295 3.340 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -31.534 6.038 2.947 1.00 0.00 H new ATOM 1663 N GLN A 125 -32.016 9.038 1.029 1.00 0.00 N ATOM 1664 CA GLN A 125 -32.906 10.146 1.332 1.00 0.00 C ATOM 1665 C GLN A 125 -34.334 9.821 0.916 1.00 0.00 C ATOM 1666 O GLN A 125 -34.574 8.897 0.138 1.00 0.00 O ATOM 1667 CB GLN A 125 -32.435 11.416 0.622 1.00 0.00 C ATOM 1668 CG GLN A 125 -31.459 12.244 1.441 1.00 0.00 C ATOM 1669 CD GLN A 125 -30.645 13.197 0.588 1.00 0.00 C ATOM 1670 OE1 GLN A 125 -31.190 13.929 -0.238 1.00 0.00 O ATOM 1671 NE2 GLN A 125 -29.331 13.192 0.783 1.00 0.00 N ATOM 0 H GLN A 125 -31.940 8.818 0.036 1.00 0.00 H new ATOM 0 HA GLN A 125 -32.886 10.312 2.409 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -31.963 11.141 -0.321 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -33.303 12.029 0.378 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -32.010 12.813 2.190 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -30.785 11.577 1.979 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -28.921 12.569 1.479 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -28.732 13.811 0.237 1.00 0.00 H new ATOM 1680 N ILE A 126 -35.277 10.587 1.442 1.00 0.00 N ATOM 1681 CA ILE A 126 -36.687 10.399 1.121 1.00 0.00 C ATOM 1682 C ILE A 126 -37.091 11.286 -0.053 1.00 0.00 C ATOM 1683 O ILE A 126 -37.933 12.174 0.085 1.00 0.00 O ATOM 1684 CB ILE A 126 -37.588 10.707 2.336 1.00 0.00 C ATOM 1685 CG1 ILE A 126 -37.254 9.766 3.492 1.00 0.00 C ATOM 1686 CG2 ILE A 126 -39.059 10.587 1.964 1.00 0.00 C ATOM 1687 CD1 ILE A 126 -37.291 8.302 3.114 1.00 0.00 C ATOM 0 H ILE A 126 -35.092 11.348 2.096 1.00 0.00 H new ATOM 0 HA ILE A 126 -36.823 9.353 0.847 1.00 0.00 H new ATOM 0 HB ILE A 126 -37.400 11.733 2.651 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -36.262 10.009 3.872 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -37.958 9.940 4.306 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -39.674 10.809 2.836 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -39.292 11.293 1.167 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -39.266 9.573 1.622 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -37.044 7.695 3.985 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -38.289 8.042 2.762 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -36.567 8.112 2.322 1.00 0.00 H new