USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 468 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 18 SER OG : rot 27:sc= -2.63! USER MOD Set 1.2: A 19 HIS : no HD1:sc= -3.3! C(o=-5.9!,f=-9.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 7 ASN : amide:sc= -0.677 K(o=-0.68,f=-3.2!) USER MOD Single : A 13 HIS : no HD1:sc= -5.67! C(o=-5.7!,f=-9.7!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 34:sc= 1.36 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.0211 K(o=-0.021,f=-1.7!) USER MOD Single : A 36 GLN : amide:sc= 0.0881 K(o=0.088,f=-1.1!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -128:sc= 0.0129 (180deg=-0.214) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 45 SER OG : rot 30:sc= 0.172 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc=-0.00556 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 57 ASN : amide:sc= -5.19! C(o=-5.2!,f=-4.5!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.361 -3.446 5.854 1.00 0.00 N ATOM 2 CA GLY A 1 -1.853 -2.853 7.131 1.00 0.00 C ATOM 3 C GLY A 1 -2.339 -1.425 6.875 1.00 0.00 C ATOM 4 O GLY A 1 -1.654 -0.625 6.269 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.030 -4.417 6.027 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.134 -3.462 5.158 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.575 -2.873 5.485 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.664 -3.458 7.537 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.056 -2.850 7.874 1.00 0.00 H new ATOM 10 N SER A 2 -3.515 -1.099 7.334 1.00 0.00 N ATOM 11 CA SER A 2 -4.044 0.279 7.117 1.00 0.00 C ATOM 12 C SER A 2 -3.677 1.178 8.302 1.00 0.00 C ATOM 13 O SER A 2 -3.849 0.802 9.444 1.00 0.00 O ATOM 14 CB SER A 2 -5.560 0.110 7.021 1.00 0.00 C ATOM 15 OG SER A 2 -5.923 -0.147 5.672 1.00 0.00 O ATOM 0 H SER A 2 -4.133 -1.725 7.850 1.00 0.00 H new ATOM 0 HA SER A 2 -3.629 0.746 6.224 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.886 -0.711 7.659 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.060 1.010 7.378 1.00 0.00 H new ATOM 0 HG SER A 2 -6.895 -0.257 5.610 1.00 0.00 H new ATOM 21 N PRO A 3 -3.183 2.343 7.982 1.00 0.00 N ATOM 22 CA PRO A 3 -2.797 3.286 9.066 1.00 0.00 C ATOM 23 C PRO A 3 -4.028 3.691 9.882 1.00 0.00 C ATOM 24 O PRO A 3 -3.917 4.278 10.941 1.00 0.00 O ATOM 25 CB PRO A 3 -2.222 4.487 8.323 1.00 0.00 C ATOM 26 CG PRO A 3 -2.854 4.439 6.972 1.00 0.00 C ATOM 27 CD PRO A 3 -3.110 2.988 6.663 1.00 0.00 C ATOM 0 HA PRO A 3 -2.088 2.854 9.772 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -2.457 5.419 8.837 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -1.136 4.426 8.254 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -3.784 5.007 6.960 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -2.199 4.884 6.223 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -4.037 2.858 6.105 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -2.310 2.563 6.056 1.00 0.00 H new ATOM 35 N LEU A 4 -5.200 3.382 9.398 1.00 0.00 N ATOM 36 CA LEU A 4 -6.436 3.749 10.147 1.00 0.00 C ATOM 37 C LEU A 4 -6.470 3.031 11.499 1.00 0.00 C ATOM 38 O LEU A 4 -7.068 3.500 12.447 1.00 0.00 O ATOM 39 CB LEU A 4 -7.590 3.279 9.261 1.00 0.00 C ATOM 40 CG LEU A 4 -8.917 3.743 9.863 1.00 0.00 C ATOM 41 CD1 LEU A 4 -8.864 5.251 10.112 1.00 0.00 C ATOM 42 CD2 LEU A 4 -10.056 3.426 8.893 1.00 0.00 C ATOM 0 H LEU A 4 -5.355 2.892 8.517 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.490 4.818 10.355 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.476 3.680 8.254 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.578 2.192 9.175 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.089 3.225 10.806 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.810 5.582 10.541 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.053 5.477 10.804 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.692 5.770 9.169 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.002 3.757 9.322 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.885 3.944 7.949 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.094 2.351 8.715 1.00 0.00 H new ATOM 54 N GLN A 5 -5.830 1.897 11.594 1.00 0.00 N ATOM 55 CA GLN A 5 -5.825 1.150 12.884 1.00 0.00 C ATOM 56 C GLN A 5 -4.391 0.782 13.276 1.00 0.00 C ATOM 57 O GLN A 5 -3.555 0.521 12.435 1.00 0.00 O ATOM 58 CB GLN A 5 -6.647 -0.112 12.614 1.00 0.00 C ATOM 59 CG GLN A 5 -8.094 0.277 12.306 1.00 0.00 C ATOM 60 CD GLN A 5 -8.913 -0.986 12.034 1.00 0.00 C ATOM 61 OE1 GLN A 5 -8.362 -2.047 11.820 1.00 0.00 O ATOM 62 NE2 GLN A 5 -10.216 -0.916 12.033 1.00 0.00 N ATOM 0 H GLN A 5 -5.311 1.456 10.835 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.238 1.738 13.704 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.221 -0.664 11.776 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -6.613 -0.773 13.480 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -8.521 0.827 13.145 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -8.128 0.939 11.441 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.679 -0.025 12.213 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.772 -1.752 11.853 1.00 0.00 H new ATOM 71 N ASP A 6 -4.101 0.760 14.548 1.00 0.00 N ATOM 72 CA ASP A 6 -2.721 0.408 14.992 1.00 0.00 C ATOM 73 C ASP A 6 -2.779 -0.545 16.189 1.00 0.00 C ATOM 74 O ASP A 6 -2.593 -0.148 17.322 1.00 0.00 O ATOM 75 CB ASP A 6 -2.084 1.739 15.396 1.00 0.00 C ATOM 76 CG ASP A 6 -0.570 1.563 15.517 1.00 0.00 C ATOM 77 OD1 ASP A 6 -0.096 0.469 15.251 1.00 0.00 O ATOM 78 OD2 ASP A 6 0.093 2.524 15.872 1.00 0.00 O ATOM 0 H ASP A 6 -4.759 0.970 15.299 1.00 0.00 H new ATOM 0 HA ASP A 6 -2.151 -0.096 14.212 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -2.314 2.504 14.655 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -2.498 2.080 16.345 1.00 0.00 H new ATOM 83 N ASN A 7 -3.039 -1.801 15.945 1.00 0.00 N ATOM 84 CA ASN A 7 -3.113 -2.780 17.068 1.00 0.00 C ATOM 85 C ASN A 7 -1.722 -3.338 17.380 1.00 0.00 C ATOM 86 O ASN A 7 -1.167 -4.110 16.624 1.00 0.00 O ATOM 87 CB ASN A 7 -4.036 -3.889 16.562 1.00 0.00 C ATOM 88 CG ASN A 7 -4.490 -4.752 17.741 1.00 0.00 C ATOM 89 OD1 ASN A 7 -3.945 -4.657 18.823 1.00 0.00 O ATOM 90 ND2 ASN A 7 -5.471 -5.595 17.576 1.00 0.00 N ATOM 0 H ASN A 7 -3.203 -2.192 15.017 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.484 -2.327 17.988 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.901 -3.456 16.060 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.515 -4.503 15.827 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.781 -6.175 18.355 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.928 -5.674 16.668 1.00 0.00 H new ATOM 97 N LEU A 8 -1.156 -2.955 18.492 1.00 0.00 N ATOM 98 CA LEU A 8 0.198 -3.465 18.855 1.00 0.00 C ATOM 99 C LEU A 8 0.095 -4.432 20.039 1.00 0.00 C ATOM 100 O LEU A 8 -0.690 -4.235 20.945 1.00 0.00 O ATOM 101 CB LEU A 8 0.999 -2.223 19.245 1.00 0.00 C ATOM 102 CG LEU A 8 1.268 -1.377 17.998 1.00 0.00 C ATOM 103 CD1 LEU A 8 0.001 -0.609 17.619 1.00 0.00 C ATOM 104 CD2 LEU A 8 2.398 -0.387 18.287 1.00 0.00 C ATOM 0 H LEU A 8 -1.572 -2.311 19.165 1.00 0.00 H new ATOM 0 HA LEU A 8 0.668 -4.011 18.037 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.448 -1.639 19.982 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.941 -2.516 19.709 1.00 0.00 H new ATOM 0 HG LEU A 8 1.558 -2.028 17.173 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.193 -0.007 16.731 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.804 -1.314 17.412 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.290 0.042 18.443 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.590 0.216 17.399 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.109 0.264 19.112 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.301 -0.934 18.556 1.00 0.00 H new ATOM 116 N VAL A 9 0.879 -5.475 20.038 1.00 0.00 N ATOM 117 CA VAL A 9 0.819 -6.452 21.164 1.00 0.00 C ATOM 118 C VAL A 9 2.218 -6.984 21.484 1.00 0.00 C ATOM 119 O VAL A 9 3.150 -6.807 20.724 1.00 0.00 O ATOM 120 CB VAL A 9 -0.079 -7.584 20.662 1.00 0.00 C ATOM 121 CG1 VAL A 9 -1.491 -7.047 20.422 1.00 0.00 C ATOM 122 CG2 VAL A 9 0.486 -8.140 19.354 1.00 0.00 C ATOM 0 H VAL A 9 1.557 -5.693 19.308 1.00 0.00 H new ATOM 0 HA VAL A 9 0.435 -5.999 22.078 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.115 -8.378 21.408 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.131 -7.853 20.064 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.893 -6.651 21.355 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.456 -6.253 19.676 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.153 -8.947 18.995 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.523 -7.347 18.607 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.492 -8.523 19.526 1.00 0.00 H new ATOM 132 N ILE A 10 2.369 -7.641 22.601 1.00 0.00 N ATOM 133 CA ILE A 10 3.704 -8.193 22.971 1.00 0.00 C ATOM 134 C ILE A 10 3.671 -9.721 22.895 1.00 0.00 C ATOM 135 O ILE A 10 2.665 -10.343 23.172 1.00 0.00 O ATOM 136 CB ILE A 10 3.941 -7.730 24.409 1.00 0.00 C ATOM 137 CG1 ILE A 10 3.733 -6.217 24.501 1.00 0.00 C ATOM 138 CG2 ILE A 10 5.372 -8.075 24.825 1.00 0.00 C ATOM 139 CD1 ILE A 10 4.498 -5.527 23.370 1.00 0.00 C ATOM 0 H ILE A 10 1.625 -7.820 23.275 1.00 0.00 H new ATOM 0 HA ILE A 10 4.496 -7.855 22.303 1.00 0.00 H new ATOM 0 HB ILE A 10 3.238 -8.233 25.073 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.671 -5.980 24.433 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.081 -5.849 25.467 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.542 -7.745 25.850 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.520 -9.153 24.761 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.075 -7.573 24.161 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.350 -4.449 23.435 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.561 -5.753 23.458 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.129 -5.886 22.409 1.00 0.00 H new ATOM 151 N ALA A 11 4.760 -10.333 22.520 1.00 0.00 N ATOM 152 CA ALA A 11 4.778 -11.821 22.428 1.00 0.00 C ATOM 153 C ALA A 11 4.970 -12.438 23.814 1.00 0.00 C ATOM 154 O ALA A 11 6.011 -12.302 24.424 1.00 0.00 O ATOM 155 CB ALA A 11 5.969 -12.147 21.526 1.00 0.00 C ATOM 0 H ALA A 11 5.635 -9.870 22.274 1.00 0.00 H new ATOM 0 HA ALA A 11 3.844 -12.220 22.032 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.051 -13.227 21.408 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.823 -11.685 20.549 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.883 -11.761 21.977 1.00 0.00 H new ATOM 161 N LEU A 12 3.981 -13.125 24.314 1.00 0.00 N ATOM 162 CA LEU A 12 4.122 -13.756 25.657 1.00 0.00 C ATOM 163 C LEU A 12 5.027 -14.984 25.548 1.00 0.00 C ATOM 164 O LEU A 12 5.584 -15.452 26.521 1.00 0.00 O ATOM 165 CB LEU A 12 2.704 -14.165 26.056 1.00 0.00 C ATOM 166 CG LEU A 12 1.908 -12.921 26.456 1.00 0.00 C ATOM 167 CD1 LEU A 12 1.616 -12.081 25.210 1.00 0.00 C ATOM 168 CD2 LEU A 12 0.589 -13.345 27.106 1.00 0.00 C ATOM 0 H LEU A 12 3.084 -13.277 23.853 1.00 0.00 H new ATOM 0 HA LEU A 12 4.567 -13.086 26.393 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.213 -14.672 25.226 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.738 -14.871 26.886 1.00 0.00 H new ATOM 0 HG LEU A 12 2.488 -12.331 27.165 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.049 -11.194 25.494 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.555 -11.778 24.747 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.036 -12.671 24.501 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.022 -12.459 27.391 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.008 -13.935 26.398 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.796 -13.944 27.993 1.00 0.00 H new ATOM 180 N HIS A 13 5.177 -15.504 24.361 1.00 0.00 N ATOM 181 CA HIS A 13 6.045 -16.699 24.165 1.00 0.00 C ATOM 182 C HIS A 13 6.538 -16.744 22.716 1.00 0.00 C ATOM 183 O HIS A 13 5.835 -16.366 21.801 1.00 0.00 O ATOM 184 CB HIS A 13 5.138 -17.891 24.462 1.00 0.00 C ATOM 185 CG HIS A 13 4.895 -17.979 25.943 1.00 0.00 C ATOM 186 ND1 HIS A 13 3.920 -17.225 26.577 1.00 0.00 N ATOM 187 CD2 HIS A 13 5.491 -18.725 26.928 1.00 0.00 C ATOM 188 CE1 HIS A 13 3.959 -17.533 27.887 1.00 0.00 C ATOM 189 NE2 HIS A 13 4.899 -18.442 28.154 1.00 0.00 N ATOM 0 H HIS A 13 4.733 -15.150 23.514 1.00 0.00 H new ATOM 0 HA HIS A 13 6.927 -16.691 24.805 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.191 -17.782 23.933 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.599 -18.811 24.103 1.00 0.00 H new ATOM 0 HD2 HIS A 13 6.298 -19.426 26.774 1.00 0.00 H new ATOM 0 HE1 HIS A 13 3.309 -17.097 28.631 1.00 0.00 H new ATOM 0 HE2 HIS A 13 5.133 -18.843 29.062 1.00 0.00 H new ATOM 197 N SER A 14 7.739 -17.202 22.494 1.00 0.00 N ATOM 198 CA SER A 14 8.264 -17.265 21.099 1.00 0.00 C ATOM 199 C SER A 14 7.430 -18.241 20.266 1.00 0.00 C ATOM 200 O SER A 14 6.952 -19.240 20.762 1.00 0.00 O ATOM 201 CB SER A 14 9.701 -17.770 21.238 1.00 0.00 C ATOM 202 OG SER A 14 9.689 -19.171 21.474 1.00 0.00 O ATOM 0 H SER A 14 8.379 -17.535 23.215 1.00 0.00 H new ATOM 0 HA SER A 14 8.219 -16.299 20.596 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.265 -17.548 20.332 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.201 -17.256 22.059 1.00 0.00 H new ATOM 0 HG SER A 14 10.609 -19.496 21.561 1.00 0.00 H new ATOM 208 N TYR A 15 7.254 -17.965 19.001 1.00 0.00 N ATOM 209 CA TYR A 15 6.453 -18.890 18.149 1.00 0.00 C ATOM 210 C TYR A 15 7.377 -19.715 17.251 1.00 0.00 C ATOM 211 O TYR A 15 8.547 -19.419 17.106 1.00 0.00 O ATOM 212 CB TYR A 15 5.555 -17.984 17.307 1.00 0.00 C ATOM 213 CG TYR A 15 4.661 -18.838 16.440 1.00 0.00 C ATOM 214 CD1 TYR A 15 3.605 -19.553 17.014 1.00 0.00 C ATOM 215 CD2 TYR A 15 4.893 -18.916 15.062 1.00 0.00 C ATOM 216 CE1 TYR A 15 2.778 -20.346 16.209 1.00 0.00 C ATOM 217 CE2 TYR A 15 4.066 -19.709 14.258 1.00 0.00 C ATOM 218 CZ TYR A 15 3.009 -20.425 14.831 1.00 0.00 C ATOM 219 OH TYR A 15 2.194 -21.208 14.038 1.00 0.00 O ATOM 0 H TYR A 15 7.628 -17.145 18.524 1.00 0.00 H new ATOM 0 HA TYR A 15 5.873 -19.596 18.743 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.953 -17.346 17.954 1.00 0.00 H new ATOM 0 HB3 TYR A 15 6.162 -17.325 16.686 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.427 -19.494 18.078 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.709 -18.365 14.619 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.961 -20.897 16.652 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.244 -19.768 13.194 1.00 0.00 H new ATOM 0 HH TYR A 15 1.280 -21.192 14.392 1.00 0.00 H new ATOM 229 N GLU A 16 6.860 -20.748 16.644 1.00 0.00 N ATOM 230 CA GLU A 16 7.707 -21.594 15.755 1.00 0.00 C ATOM 231 C GLU A 16 7.124 -21.619 14.340 1.00 0.00 C ATOM 232 O GLU A 16 6.001 -22.038 14.137 1.00 0.00 O ATOM 233 CB GLU A 16 7.667 -22.989 16.380 1.00 0.00 C ATOM 234 CG GLU A 16 8.780 -23.112 17.421 1.00 0.00 C ATOM 235 CD GLU A 16 8.165 -23.183 18.821 1.00 0.00 C ATOM 236 OE1 GLU A 16 7.433 -22.272 19.170 1.00 0.00 O ATOM 237 OE2 GLU A 16 8.436 -24.146 19.517 1.00 0.00 O ATOM 0 H GLU A 16 5.887 -21.043 16.725 1.00 0.00 H new ATOM 0 HA GLU A 16 8.726 -21.216 15.671 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.697 -23.163 16.846 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.790 -23.749 15.608 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.376 -24.004 17.228 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.454 -22.258 17.351 1.00 0.00 H new ATOM 244 N PRO A 17 7.912 -21.164 13.405 1.00 0.00 N ATOM 245 CA PRO A 17 7.431 -21.147 12.000 1.00 0.00 C ATOM 246 C PRO A 17 7.333 -22.575 11.457 1.00 0.00 C ATOM 247 O PRO A 17 8.236 -23.064 10.807 1.00 0.00 O ATOM 248 CB PRO A 17 8.500 -20.359 11.251 1.00 0.00 C ATOM 249 CG PRO A 17 9.740 -20.523 12.067 1.00 0.00 C ATOM 250 CD PRO A 17 9.308 -20.708 13.498 1.00 0.00 C ATOM 0 HA PRO A 17 6.440 -20.706 11.897 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.638 -20.743 10.240 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.224 -19.309 11.158 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.316 -21.383 11.724 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.384 -19.649 11.969 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.932 -21.441 14.009 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.385 -19.777 14.059 1.00 0.00 H new ATOM 258 N SER A 18 6.245 -23.244 11.714 1.00 0.00 N ATOM 259 CA SER A 18 6.093 -24.638 11.209 1.00 0.00 C ATOM 260 C SER A 18 5.682 -24.621 9.734 1.00 0.00 C ATOM 261 O SER A 18 5.571 -25.650 9.098 1.00 0.00 O ATOM 262 CB SER A 18 4.988 -25.253 12.069 1.00 0.00 C ATOM 263 OG SER A 18 3.740 -24.667 11.728 1.00 0.00 O ATOM 0 H SER A 18 5.455 -22.887 12.251 1.00 0.00 H new ATOM 0 HA SER A 18 7.021 -25.206 11.274 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.950 -26.331 11.914 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.202 -25.090 13.125 1.00 0.00 H new ATOM 0 HG SER A 18 3.770 -24.350 10.801 1.00 0.00 H new ATOM 269 N HIS A 19 5.458 -23.457 9.186 1.00 0.00 N ATOM 270 CA HIS A 19 5.057 -23.370 7.753 1.00 0.00 C ATOM 271 C HIS A 19 5.639 -22.104 7.117 1.00 0.00 C ATOM 272 O HIS A 19 5.678 -21.054 7.729 1.00 0.00 O ATOM 273 CB HIS A 19 3.530 -23.307 7.771 1.00 0.00 C ATOM 274 CG HIS A 19 2.985 -24.540 8.437 1.00 0.00 C ATOM 275 ND1 HIS A 19 2.410 -24.507 9.697 1.00 0.00 N ATOM 276 CD2 HIS A 19 2.921 -25.850 8.029 1.00 0.00 C ATOM 277 CE1 HIS A 19 2.030 -25.761 10.002 1.00 0.00 C ATOM 278 NE2 HIS A 19 2.316 -26.619 9.020 1.00 0.00 N ATOM 0 H HIS A 19 5.536 -22.562 9.669 1.00 0.00 H new ATOM 0 HA HIS A 19 5.423 -24.215 7.170 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.198 -22.416 8.304 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.147 -23.231 6.754 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.284 -26.226 7.084 1.00 0.00 H new ATOM 0 HE1 HIS A 19 1.551 -26.040 10.929 1.00 0.00 H new ATOM 0 HE2 HIS A 19 2.131 -27.622 9.000 1.00 0.00 H new ATOM 286 N ASP A 20 6.092 -22.193 5.897 1.00 0.00 N ATOM 287 CA ASP A 20 6.669 -20.993 5.228 1.00 0.00 C ATOM 288 C ASP A 20 5.679 -19.827 5.284 1.00 0.00 C ATOM 289 O ASP A 20 4.549 -19.939 4.849 1.00 0.00 O ATOM 290 CB ASP A 20 6.911 -21.424 3.780 1.00 0.00 C ATOM 291 CG ASP A 20 7.790 -22.675 3.759 1.00 0.00 C ATOM 292 OD1 ASP A 20 8.401 -22.963 4.776 1.00 0.00 O ATOM 293 OD2 ASP A 20 7.837 -23.325 2.728 1.00 0.00 O ATOM 0 H ASP A 20 6.088 -23.044 5.335 1.00 0.00 H new ATOM 0 HA ASP A 20 7.585 -20.653 5.710 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.961 -21.626 3.286 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.393 -20.619 3.226 1.00 0.00 H new ATOM 298 N GLY A 21 6.092 -18.708 5.813 1.00 0.00 N ATOM 299 CA GLY A 21 5.174 -17.538 5.893 1.00 0.00 C ATOM 300 C GLY A 21 4.763 -17.307 7.349 1.00 0.00 C ATOM 301 O GLY A 21 3.811 -16.606 7.631 1.00 0.00 O ATOM 0 H GLY A 21 7.026 -18.554 6.193 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.666 -16.649 5.498 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.291 -17.713 5.279 1.00 0.00 H new ATOM 305 N ASP A 22 5.472 -17.889 8.277 1.00 0.00 N ATOM 306 CA ASP A 22 5.117 -17.700 9.713 1.00 0.00 C ATOM 307 C ASP A 22 6.232 -16.942 10.441 1.00 0.00 C ATOM 308 O ASP A 22 7.359 -16.895 9.993 1.00 0.00 O ATOM 309 CB ASP A 22 4.974 -19.115 10.275 1.00 0.00 C ATOM 310 CG ASP A 22 3.827 -19.833 9.562 1.00 0.00 C ATOM 311 OD1 ASP A 22 3.229 -19.229 8.687 1.00 0.00 O ATOM 312 OD2 ASP A 22 3.566 -20.976 9.904 1.00 0.00 O ATOM 0 H ASP A 22 6.280 -18.486 8.104 1.00 0.00 H new ATOM 0 HA ASP A 22 4.205 -17.117 9.839 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.904 -19.668 10.139 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.781 -19.074 11.347 1.00 0.00 H new ATOM 317 N LEU A 23 5.922 -16.350 11.564 1.00 0.00 N ATOM 318 CA LEU A 23 6.962 -15.596 12.324 1.00 0.00 C ATOM 319 C LEU A 23 7.219 -16.271 13.675 1.00 0.00 C ATOM 320 O LEU A 23 6.336 -16.378 14.502 1.00 0.00 O ATOM 321 CB LEU A 23 6.368 -14.200 12.521 1.00 0.00 C ATOM 322 CG LEU A 23 7.463 -13.243 12.998 1.00 0.00 C ATOM 323 CD1 LEU A 23 8.673 -13.351 12.068 1.00 0.00 C ATOM 324 CD2 LEU A 23 6.931 -11.809 12.979 1.00 0.00 C ATOM 0 H LEU A 23 4.994 -16.356 11.988 1.00 0.00 H new ATOM 0 HA LEU A 23 7.918 -15.561 11.801 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.938 -13.841 11.586 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.559 -14.237 13.251 1.00 0.00 H new ATOM 0 HG LEU A 23 7.760 -13.506 14.013 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.454 -12.670 12.406 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.052 -14.373 12.081 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.376 -13.087 11.053 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.711 -11.127 13.319 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.634 -11.544 11.964 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.068 -11.732 13.641 1.00 0.00 H new ATOM 336 N GLY A 24 8.421 -16.726 13.905 1.00 0.00 N ATOM 337 CA GLY A 24 8.731 -17.397 15.200 1.00 0.00 C ATOM 338 C GLY A 24 9.348 -16.388 16.171 1.00 0.00 C ATOM 339 O GLY A 24 10.356 -16.651 16.797 1.00 0.00 O ATOM 0 H GLY A 24 9.202 -16.662 13.252 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.822 -17.819 15.628 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.420 -18.225 15.035 1.00 0.00 H new ATOM 343 N PHE A 25 8.753 -15.236 16.300 1.00 0.00 N ATOM 344 CA PHE A 25 9.299 -14.201 17.226 1.00 0.00 C ATOM 345 C PHE A 25 9.636 -14.807 18.590 1.00 0.00 C ATOM 346 O PHE A 25 9.322 -15.947 18.872 1.00 0.00 O ATOM 347 CB PHE A 25 8.171 -13.175 17.368 1.00 0.00 C ATOM 348 CG PHE A 25 6.899 -13.875 17.797 1.00 0.00 C ATOM 349 CD1 PHE A 25 6.015 -14.377 16.833 1.00 0.00 C ATOM 350 CD2 PHE A 25 6.602 -14.018 19.158 1.00 0.00 C ATOM 351 CE1 PHE A 25 4.838 -15.022 17.229 1.00 0.00 C ATOM 352 CE2 PHE A 25 5.423 -14.662 19.554 1.00 0.00 C ATOM 353 CZ PHE A 25 4.542 -15.166 18.589 1.00 0.00 C ATOM 0 H PHE A 25 7.906 -14.963 15.801 1.00 0.00 H new ATOM 0 HA PHE A 25 10.221 -13.762 16.846 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.446 -12.417 18.101 1.00 0.00 H new ATOM 0 HB3 PHE A 25 8.013 -12.660 16.421 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.242 -14.266 15.783 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.282 -13.632 19.903 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.158 -15.409 16.485 1.00 0.00 H new ATOM 0 HE2 PHE A 25 5.193 -14.770 20.604 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.635 -15.666 18.894 1.00 0.00 H new ATOM 363 N GLU A 26 10.273 -14.046 19.440 1.00 0.00 N ATOM 364 CA GLU A 26 10.632 -14.563 20.791 1.00 0.00 C ATOM 365 C GLU A 26 9.718 -13.941 21.852 1.00 0.00 C ATOM 366 O GLU A 26 8.869 -13.122 21.553 1.00 0.00 O ATOM 367 CB GLU A 26 12.083 -14.131 21.008 1.00 0.00 C ATOM 368 CG GLU A 26 12.953 -14.684 19.879 1.00 0.00 C ATOM 369 CD GLU A 26 14.407 -14.263 20.101 1.00 0.00 C ATOM 370 OE1 GLU A 26 14.637 -13.431 20.964 1.00 0.00 O ATOM 371 OE2 GLU A 26 15.267 -14.779 19.407 1.00 0.00 O ATOM 0 H GLU A 26 10.561 -13.085 19.255 1.00 0.00 H new ATOM 0 HA GLU A 26 10.516 -15.644 20.866 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.150 -13.043 21.034 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.442 -14.495 21.970 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.879 -15.771 19.848 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.599 -14.313 18.917 1.00 0.00 H new ATOM 378 N LYS A 27 9.890 -14.312 23.093 1.00 0.00 N ATOM 379 CA LYS A 27 9.032 -13.735 24.166 1.00 0.00 C ATOM 380 C LYS A 27 9.371 -12.257 24.374 1.00 0.00 C ATOM 381 O LYS A 27 10.522 -11.868 24.380 1.00 0.00 O ATOM 382 CB LYS A 27 9.367 -14.544 25.421 1.00 0.00 C ATOM 383 CG LYS A 27 8.409 -14.155 26.550 1.00 0.00 C ATOM 384 CD LYS A 27 8.549 -15.151 27.703 1.00 0.00 C ATOM 385 CE LYS A 27 7.597 -14.757 28.835 1.00 0.00 C ATOM 386 NZ LYS A 27 7.245 -16.042 29.502 1.00 0.00 N ATOM 0 H LYS A 27 10.586 -14.988 23.408 1.00 0.00 H new ATOM 0 HA LYS A 27 7.971 -13.787 23.920 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.285 -15.611 25.212 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.397 -14.357 25.723 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.630 -13.146 26.898 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.382 -14.148 26.184 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.322 -16.159 27.357 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.577 -15.162 28.065 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.075 -14.068 29.531 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.709 -14.256 28.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.594 -15.856 30.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.786 -16.675 28.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.109 -16.493 29.865 1.00 0.00 H new ATOM 400 N GLY A 28 8.376 -11.431 24.543 1.00 0.00 N ATOM 401 CA GLY A 28 8.641 -9.981 24.749 1.00 0.00 C ATOM 402 C GLY A 28 8.764 -9.290 23.391 1.00 0.00 C ATOM 403 O GLY A 28 8.759 -8.079 23.299 1.00 0.00 O ATOM 0 H GLY A 28 7.392 -11.698 24.547 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.834 -9.531 25.327 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.558 -9.845 25.323 1.00 0.00 H new ATOM 407 N GLU A 29 8.874 -10.048 22.333 1.00 0.00 N ATOM 408 CA GLU A 29 8.999 -9.423 20.985 1.00 0.00 C ATOM 409 C GLU A 29 7.731 -8.634 20.651 1.00 0.00 C ATOM 410 O GLU A 29 6.630 -9.141 20.743 1.00 0.00 O ATOM 411 CB GLU A 29 9.174 -10.593 20.019 1.00 0.00 C ATOM 412 CG GLU A 29 9.646 -10.068 18.661 1.00 0.00 C ATOM 413 CD GLU A 29 10.512 -11.126 17.976 1.00 0.00 C ATOM 414 OE1 GLU A 29 11.431 -11.614 18.614 1.00 0.00 O ATOM 415 OE2 GLU A 29 10.242 -11.431 16.826 1.00 0.00 O ATOM 0 H GLU A 29 8.883 -11.068 22.343 1.00 0.00 H new ATOM 0 HA GLU A 29 9.833 -8.723 20.929 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.899 -11.303 20.418 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.232 -11.129 19.906 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.787 -9.825 18.035 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.215 -9.148 18.793 1.00 0.00 H new ATOM 422 N GLN A 30 7.876 -7.394 20.266 1.00 0.00 N ATOM 423 CA GLN A 30 6.677 -6.575 19.926 1.00 0.00 C ATOM 424 C GLN A 30 6.191 -6.919 18.516 1.00 0.00 C ATOM 425 O GLN A 30 6.972 -7.023 17.591 1.00 0.00 O ATOM 426 CB GLN A 30 7.156 -5.124 19.991 1.00 0.00 C ATOM 427 CG GLN A 30 7.689 -4.825 21.394 1.00 0.00 C ATOM 428 CD GLN A 30 8.331 -3.436 21.409 1.00 0.00 C ATOM 429 OE1 GLN A 30 8.777 -2.948 20.390 1.00 0.00 O ATOM 430 NE2 GLN A 30 8.398 -2.774 22.532 1.00 0.00 N ATOM 0 H GLN A 30 8.771 -6.914 20.172 1.00 0.00 H new ATOM 0 HA GLN A 30 5.843 -6.757 20.604 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.937 -4.954 19.250 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.336 -4.448 19.750 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.878 -4.870 22.120 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.420 -5.579 21.685 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.024 -3.183 23.388 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.825 -1.848 22.553 1.00 0.00 H new ATOM 439 N LEU A 31 4.911 -7.101 18.344 1.00 0.00 N ATOM 440 CA LEU A 31 4.386 -7.444 16.992 1.00 0.00 C ATOM 441 C LEU A 31 3.126 -6.633 16.678 1.00 0.00 C ATOM 442 O LEU A 31 2.428 -6.177 17.561 1.00 0.00 O ATOM 443 CB LEU A 31 4.047 -8.934 17.067 1.00 0.00 C ATOM 444 CG LEU A 31 5.310 -9.763 16.823 1.00 0.00 C ATOM 445 CD1 LEU A 31 6.211 -9.695 18.059 1.00 0.00 C ATOM 446 CD2 LEU A 31 4.919 -11.217 16.557 1.00 0.00 C ATOM 0 H LEU A 31 4.207 -7.027 19.079 1.00 0.00 H new ATOM 0 HA LEU A 31 5.109 -7.220 16.208 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.627 -9.173 18.044 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.288 -9.182 16.325 1.00 0.00 H new ATOM 0 HG LEU A 31 5.846 -9.366 15.961 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.111 -10.285 17.886 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.488 -8.658 18.251 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.676 -10.093 18.921 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.817 -11.809 16.383 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.384 -11.614 17.420 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.276 -11.266 15.678 1.00 0.00 H new ATOM 458 N ARG A 32 2.826 -6.467 15.419 1.00 0.00 N ATOM 459 CA ARG A 32 1.607 -5.703 15.029 1.00 0.00 C ATOM 460 C ARG A 32 0.554 -6.677 14.494 1.00 0.00 C ATOM 461 O ARG A 32 0.862 -7.569 13.734 1.00 0.00 O ATOM 462 CB ARG A 32 2.076 -4.745 13.931 1.00 0.00 C ATOM 463 CG ARG A 32 0.877 -4.278 13.103 1.00 0.00 C ATOM 464 CD ARG A 32 1.292 -3.095 12.226 1.00 0.00 C ATOM 465 NE ARG A 32 0.010 -2.483 11.781 1.00 0.00 N ATOM 466 CZ ARG A 32 -0.029 -1.774 10.687 1.00 0.00 C ATOM 467 NH1 ARG A 32 1.010 -1.074 10.324 1.00 0.00 N ATOM 468 NH2 ARG A 32 -1.110 -1.764 9.954 1.00 0.00 N ATOM 0 H ARG A 32 3.376 -6.829 14.640 1.00 0.00 H new ATOM 0 HA ARG A 32 1.156 -5.162 15.861 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.579 -3.886 14.376 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.802 -5.242 13.288 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.511 -5.095 12.481 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.058 -3.987 13.761 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.898 -2.382 12.785 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.890 -3.423 11.376 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.838 -2.618 12.332 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.855 -1.081 10.896 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.978 -0.520 9.468 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.923 -2.311 10.237 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.141 -1.210 9.098 1.00 0.00 H new ATOM 482 N ILE A 33 -0.680 -6.528 14.892 1.00 0.00 N ATOM 483 CA ILE A 33 -1.734 -7.468 14.406 1.00 0.00 C ATOM 484 C ILE A 33 -2.398 -6.933 13.134 1.00 0.00 C ATOM 485 O ILE A 33 -3.350 -6.180 13.187 1.00 0.00 O ATOM 486 CB ILE A 33 -2.750 -7.546 15.545 1.00 0.00 C ATOM 487 CG1 ILE A 33 -2.060 -8.051 16.814 1.00 0.00 C ATOM 488 CG2 ILE A 33 -3.876 -8.509 15.160 1.00 0.00 C ATOM 489 CD1 ILE A 33 -3.089 -8.174 17.939 1.00 0.00 C ATOM 0 H ILE A 33 -1.004 -5.801 15.529 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.321 -8.444 14.153 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.165 -6.555 15.728 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.593 -9.018 16.627 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.266 -7.364 17.107 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.601 -8.565 15.972 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.370 -8.149 14.257 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.460 -9.500 14.976 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.598 -8.534 18.843 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.535 -7.199 18.132 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.868 -8.878 17.645 1.00 0.00 H new ATOM 501 N LEU A 34 -1.898 -7.313 11.991 1.00 0.00 N ATOM 502 CA LEU A 34 -2.495 -6.824 10.715 1.00 0.00 C ATOM 503 C LEU A 34 -3.767 -7.609 10.380 1.00 0.00 C ATOM 504 O LEU A 34 -4.675 -7.093 9.757 1.00 0.00 O ATOM 505 CB LEU A 34 -1.420 -7.070 9.657 1.00 0.00 C ATOM 506 CG LEU A 34 -0.106 -6.430 10.106 1.00 0.00 C ATOM 507 CD1 LEU A 34 1.066 -7.131 9.415 1.00 0.00 C ATOM 508 CD2 LEU A 34 -0.106 -4.947 9.729 1.00 0.00 C ATOM 0 H LEU A 34 -1.102 -7.941 11.885 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.782 -5.774 10.773 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.282 -8.141 9.506 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.733 -6.650 8.701 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.004 -6.531 11.187 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.003 -6.675 9.735 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.067 -8.188 9.683 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.964 -7.031 8.334 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.831 -4.490 10.049 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.208 -4.846 8.649 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.940 -4.447 10.221 1.00 0.00 H new ATOM 520 N GLU A 35 -3.849 -8.849 10.785 1.00 0.00 N ATOM 521 CA GLU A 35 -5.071 -9.647 10.480 1.00 0.00 C ATOM 522 C GLU A 35 -5.530 -10.410 11.726 1.00 0.00 C ATOM 523 O GLU A 35 -4.745 -11.042 12.404 1.00 0.00 O ATOM 524 CB GLU A 35 -4.648 -10.619 9.379 1.00 0.00 C ATOM 525 CG GLU A 35 -5.888 -11.125 8.641 1.00 0.00 C ATOM 526 CD GLU A 35 -5.486 -12.233 7.665 1.00 0.00 C ATOM 527 OE1 GLU A 35 -4.297 -12.398 7.445 1.00 0.00 O ATOM 528 OE2 GLU A 35 -6.373 -12.898 7.156 1.00 0.00 O ATOM 0 H GLU A 35 -3.127 -9.341 11.311 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.906 -9.019 10.168 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.973 -10.123 8.681 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.101 -11.457 9.810 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.620 -11.503 9.355 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.363 -10.305 8.101 1.00 0.00 H new ATOM 535 N GLN A 36 -6.798 -10.355 12.031 1.00 0.00 N ATOM 536 CA GLN A 36 -7.308 -11.076 13.232 1.00 0.00 C ATOM 537 C GLN A 36 -8.515 -11.939 12.855 1.00 0.00 C ATOM 538 O GLN A 36 -9.598 -11.773 13.382 1.00 0.00 O ATOM 539 CB GLN A 36 -7.720 -9.975 14.210 1.00 0.00 C ATOM 540 CG GLN A 36 -8.047 -10.596 15.569 1.00 0.00 C ATOM 541 CD GLN A 36 -8.595 -9.517 16.506 1.00 0.00 C ATOM 542 OE1 GLN A 36 -8.449 -8.339 16.245 1.00 0.00 O ATOM 543 NE2 GLN A 36 -9.224 -9.872 17.593 1.00 0.00 N ATOM 0 H GLN A 36 -7.502 -9.842 11.501 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.561 -11.744 13.662 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.915 -9.247 14.315 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.587 -9.438 13.825 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.779 -11.394 15.449 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.153 -11.046 16.000 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.346 -10.861 17.812 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -9.593 -9.161 18.224 1.00 0.00 H new ATOM 552 N SER A 37 -8.339 -12.859 11.947 1.00 0.00 N ATOM 553 CA SER A 37 -9.478 -13.730 11.538 1.00 0.00 C ATOM 554 C SER A 37 -9.133 -15.202 11.781 1.00 0.00 C ATOM 555 O SER A 37 -7.998 -15.614 11.651 1.00 0.00 O ATOM 556 CB SER A 37 -9.663 -13.462 10.043 1.00 0.00 C ATOM 557 OG SER A 37 -8.490 -13.849 9.345 1.00 0.00 O ATOM 0 H SER A 37 -7.457 -13.046 11.471 1.00 0.00 H new ATOM 0 HA SER A 37 -10.384 -13.519 12.106 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.523 -14.017 9.667 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.867 -12.405 9.875 1.00 0.00 H new ATOM 0 HG SER A 37 -8.608 -13.679 8.387 1.00 0.00 H new ATOM 563 N GLY A 38 -10.106 -15.997 12.135 1.00 0.00 N ATOM 564 CA GLY A 38 -9.835 -17.440 12.388 1.00 0.00 C ATOM 565 C GLY A 38 -9.038 -17.587 13.686 1.00 0.00 C ATOM 566 O GLY A 38 -8.868 -16.643 14.431 1.00 0.00 O ATOM 0 H GLY A 38 -11.077 -15.709 12.260 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.773 -17.990 12.460 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.277 -17.868 11.555 1.00 0.00 H new ATOM 570 N GLU A 39 -8.546 -18.764 13.961 1.00 0.00 N ATOM 571 CA GLU A 39 -7.761 -18.967 15.212 1.00 0.00 C ATOM 572 C GLU A 39 -6.371 -18.343 15.067 1.00 0.00 C ATOM 573 O GLU A 39 -5.800 -17.850 16.019 1.00 0.00 O ATOM 574 CB GLU A 39 -7.653 -20.485 15.372 1.00 0.00 C ATOM 575 CG GLU A 39 -9.054 -21.084 15.513 1.00 0.00 C ATOM 576 CD GLU A 39 -8.941 -22.583 15.798 1.00 0.00 C ATOM 577 OE1 GLU A 39 -7.868 -23.125 15.593 1.00 0.00 O ATOM 578 OE2 GLU A 39 -9.929 -23.163 16.215 1.00 0.00 O ATOM 0 H GLU A 39 -8.653 -19.592 13.375 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.232 -18.500 16.077 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.146 -20.917 14.509 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.052 -20.727 16.249 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.593 -20.589 16.321 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.626 -20.919 14.600 1.00 0.00 H new ATOM 585 N TRP A 40 -5.823 -18.358 13.884 1.00 0.00 N ATOM 586 CA TRP A 40 -4.471 -17.761 13.681 1.00 0.00 C ATOM 587 C TRP A 40 -4.600 -16.329 13.159 1.00 0.00 C ATOM 588 O TRP A 40 -5.471 -16.021 12.369 1.00 0.00 O ATOM 589 CB TRP A 40 -3.796 -18.652 12.638 1.00 0.00 C ATOM 590 CG TRP A 40 -3.518 -19.995 13.232 1.00 0.00 C ATOM 591 CD1 TRP A 40 -4.273 -21.102 13.037 1.00 0.00 C ATOM 592 CD2 TRP A 40 -2.426 -20.394 14.110 1.00 0.00 C ATOM 593 NE1 TRP A 40 -3.713 -22.155 13.740 1.00 0.00 N ATOM 594 CE2 TRP A 40 -2.573 -21.768 14.416 1.00 0.00 C ATOM 595 CE3 TRP A 40 -1.332 -19.704 14.663 1.00 0.00 C ATOM 596 CZ2 TRP A 40 -1.667 -22.434 15.243 1.00 0.00 C ATOM 597 CZ3 TRP A 40 -0.418 -20.371 15.495 1.00 0.00 C ATOM 598 CH2 TRP A 40 -0.585 -21.733 15.785 1.00 0.00 C ATOM 0 H TRP A 40 -6.251 -18.757 13.049 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.898 -17.712 14.607 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.438 -18.756 11.763 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -2.867 -18.193 12.299 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.166 -21.155 12.432 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.096 -23.100 13.757 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.194 -18.655 14.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.801 -23.483 15.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.419 -19.832 15.914 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.121 -22.240 16.426 1.00 0.00 H new ATOM 609 N TRP A 41 -3.739 -15.450 13.593 1.00 0.00 N ATOM 610 CA TRP A 41 -3.811 -14.037 13.122 1.00 0.00 C ATOM 611 C TRP A 41 -2.511 -13.649 12.416 1.00 0.00 C ATOM 612 O TRP A 41 -1.462 -14.205 12.675 1.00 0.00 O ATOM 613 CB TRP A 41 -3.994 -13.205 14.392 1.00 0.00 C ATOM 614 CG TRP A 41 -5.384 -13.389 14.916 1.00 0.00 C ATOM 615 CD1 TRP A 41 -6.408 -13.944 14.229 1.00 0.00 C ATOM 616 CD2 TRP A 41 -5.916 -13.026 16.223 1.00 0.00 C ATOM 617 NE1 TRP A 41 -7.536 -13.946 15.031 1.00 0.00 N ATOM 618 CE2 TRP A 41 -7.282 -13.390 16.269 1.00 0.00 C ATOM 619 CE3 TRP A 41 -5.352 -12.422 17.360 1.00 0.00 C ATOM 620 CZ2 TRP A 41 -8.061 -13.163 17.405 1.00 0.00 C ATOM 621 CZ3 TRP A 41 -6.132 -12.192 18.505 1.00 0.00 C ATOM 622 CH2 TRP A 41 -7.485 -12.562 18.527 1.00 0.00 C ATOM 0 H TRP A 41 -2.988 -15.649 14.254 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.621 -13.881 12.410 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.267 -13.508 15.146 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.811 -12.152 14.179 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.354 -14.324 13.219 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.443 -14.313 14.743 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.311 -12.133 17.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -9.102 -13.450 17.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.688 -11.728 19.373 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -8.080 -12.383 19.410 1.00 0.00 H new ATOM 633 N LYS A 42 -2.570 -12.688 11.538 1.00 0.00 N ATOM 634 CA LYS A 42 -1.336 -12.251 10.828 1.00 0.00 C ATOM 635 C LYS A 42 -0.769 -11.016 11.524 1.00 0.00 C ATOM 636 O LYS A 42 -1.503 -10.154 11.966 1.00 0.00 O ATOM 637 CB LYS A 42 -1.789 -11.912 9.407 1.00 0.00 C ATOM 638 CG LYS A 42 -0.563 -11.784 8.500 1.00 0.00 C ATOM 639 CD LYS A 42 -0.954 -11.054 7.213 1.00 0.00 C ATOM 640 CE LYS A 42 0.269 -10.941 6.301 1.00 0.00 C ATOM 641 NZ LYS A 42 0.398 -12.284 5.668 1.00 0.00 N ATOM 0 H LYS A 42 -3.420 -12.186 11.281 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.557 -13.013 10.824 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.454 -12.689 9.030 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.355 -10.980 9.406 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.228 -11.238 9.014 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.167 -12.772 8.264 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.752 -11.594 6.704 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.339 -10.062 7.447 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.132 -10.162 5.551 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.163 -10.684 6.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.368 -12.637 5.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.272 -12.943 6.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.189 -12.210 4.652 1.00 0.00 H new ATOM 655 N ALA A 43 0.525 -10.917 11.638 1.00 0.00 N ATOM 656 CA ALA A 43 1.107 -9.729 12.322 1.00 0.00 C ATOM 657 C ALA A 43 2.513 -9.433 11.795 1.00 0.00 C ATOM 658 O ALA A 43 3.042 -10.144 10.963 1.00 0.00 O ATOM 659 CB ALA A 43 1.160 -10.116 13.799 1.00 0.00 C ATOM 0 H ALA A 43 1.199 -11.599 11.291 1.00 0.00 H new ATOM 0 HA ALA A 43 0.517 -8.829 12.151 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.579 -9.292 14.376 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.153 -10.333 14.155 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.787 -10.999 13.921 1.00 0.00 H new ATOM 665 N GLN A 44 3.121 -8.386 12.281 1.00 0.00 N ATOM 666 CA GLN A 44 4.494 -8.033 11.820 1.00 0.00 C ATOM 667 C GLN A 44 5.317 -7.497 12.995 1.00 0.00 C ATOM 668 O GLN A 44 4.787 -6.919 13.922 1.00 0.00 O ATOM 669 CB GLN A 44 4.290 -6.946 10.766 1.00 0.00 C ATOM 670 CG GLN A 44 5.650 -6.463 10.259 1.00 0.00 C ATOM 671 CD GLN A 44 5.445 -5.319 9.264 1.00 0.00 C ATOM 672 OE1 GLN A 44 4.330 -5.016 8.891 1.00 0.00 O ATOM 673 NE2 GLN A 44 6.483 -4.667 8.815 1.00 0.00 N ATOM 0 H GLN A 44 2.725 -7.758 12.980 1.00 0.00 H new ATOM 0 HA GLN A 44 5.032 -8.891 11.418 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.699 -7.335 9.937 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.732 -6.112 11.192 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.264 -6.127 11.095 1.00 0.00 H new ATOM 0 HG3 GLN A 44 6.185 -7.284 9.781 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.420 -4.921 9.128 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.357 -3.903 8.151 1.00 0.00 H new ATOM 682 N SER A 45 6.608 -7.685 12.967 1.00 0.00 N ATOM 683 CA SER A 45 7.457 -7.185 14.086 1.00 0.00 C ATOM 684 C SER A 45 8.070 -5.831 13.721 1.00 0.00 C ATOM 685 O SER A 45 8.872 -5.726 12.816 1.00 0.00 O ATOM 686 CB SER A 45 8.551 -8.239 14.255 1.00 0.00 C ATOM 687 OG SER A 45 9.108 -8.138 15.558 1.00 0.00 O ATOM 0 H SER A 45 7.111 -8.162 12.219 1.00 0.00 H new ATOM 0 HA SER A 45 6.886 -7.039 15.003 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.138 -9.236 14.101 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.328 -8.096 13.504 1.00 0.00 H new ATOM 0 HG SER A 45 8.428 -7.804 16.179 1.00 0.00 H new ATOM 693 N LEU A 46 7.701 -4.793 14.421 1.00 0.00 N ATOM 694 CA LEU A 46 8.264 -3.448 14.114 1.00 0.00 C ATOM 695 C LEU A 46 9.709 -3.355 14.614 1.00 0.00 C ATOM 696 O LEU A 46 10.362 -2.341 14.471 1.00 0.00 O ATOM 697 CB LEU A 46 7.372 -2.463 14.869 1.00 0.00 C ATOM 698 CG LEU A 46 5.929 -2.603 14.380 1.00 0.00 C ATOM 699 CD1 LEU A 46 5.065 -1.515 15.021 1.00 0.00 C ATOM 700 CD2 LEU A 46 5.889 -2.455 12.858 1.00 0.00 C ATOM 0 H LEU A 46 7.034 -4.819 15.192 1.00 0.00 H new ATOM 0 HA LEU A 46 8.283 -3.242 13.044 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.424 -2.656 15.940 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.723 -1.443 14.711 1.00 0.00 H new ATOM 0 HG LEU A 46 5.545 -3.584 14.660 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.037 -1.615 14.673 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.093 -1.620 16.106 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.449 -0.534 14.742 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.861 -2.555 12.510 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.274 -1.474 12.578 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.504 -3.230 12.401 1.00 0.00 H new ATOM 712 N THR A 47 10.213 -4.407 15.200 1.00 0.00 N ATOM 713 CA THR A 47 11.615 -4.380 15.706 1.00 0.00 C ATOM 714 C THR A 47 12.584 -4.762 14.586 1.00 0.00 C ATOM 715 O THR A 47 13.697 -4.276 14.521 1.00 0.00 O ATOM 716 CB THR A 47 11.650 -5.422 16.826 1.00 0.00 C ATOM 717 OG1 THR A 47 10.646 -5.118 17.785 1.00 0.00 O ATOM 718 CG2 THR A 47 13.023 -5.406 17.499 1.00 0.00 C ATOM 0 H THR A 47 9.714 -5.284 15.350 1.00 0.00 H new ATOM 0 HA THR A 47 11.911 -3.392 16.060 1.00 0.00 H new ATOM 0 HB THR A 47 11.466 -6.411 16.408 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.666 -5.785 18.502 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.046 -6.149 18.296 1.00 0.00 H new ATOM 0 HG22 THR A 47 13.792 -5.640 16.763 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.211 -4.418 17.918 1.00 0.00 H new ATOM 726 N THR A 48 12.172 -5.630 13.703 1.00 0.00 N ATOM 727 CA THR A 48 13.070 -6.043 12.587 1.00 0.00 C ATOM 728 C THR A 48 12.347 -5.894 11.245 1.00 0.00 C ATOM 729 O THR A 48 12.916 -6.114 10.195 1.00 0.00 O ATOM 730 CB THR A 48 13.393 -7.512 12.861 1.00 0.00 C ATOM 731 OG1 THR A 48 12.186 -8.258 12.917 1.00 0.00 O ATOM 732 CG2 THR A 48 14.132 -7.634 14.195 1.00 0.00 C ATOM 0 H THR A 48 11.252 -6.071 13.706 1.00 0.00 H new ATOM 0 HA THR A 48 13.970 -5.431 12.533 1.00 0.00 H new ATOM 0 HB THR A 48 14.024 -7.900 12.062 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.392 -9.200 13.091 1.00 0.00 H new ATOM 0 HG21 THR A 48 14.362 -8.682 14.389 1.00 0.00 H new ATOM 0 HG22 THR A 48 15.058 -7.061 14.151 1.00 0.00 H new ATOM 0 HG23 THR A 48 13.503 -7.246 14.996 1.00 0.00 H new ATOM 740 N GLY A 49 11.097 -5.521 11.273 1.00 0.00 N ATOM 741 CA GLY A 49 10.340 -5.356 10.000 1.00 0.00 C ATOM 742 C GLY A 49 10.004 -6.733 9.422 1.00 0.00 C ATOM 743 O GLY A 49 9.965 -6.919 8.222 1.00 0.00 O ATOM 0 H GLY A 49 10.567 -5.323 12.122 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.425 -4.792 10.180 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.931 -4.784 9.285 1.00 0.00 H new ATOM 747 N GLN A 50 9.762 -7.699 10.266 1.00 0.00 N ATOM 748 CA GLN A 50 9.428 -9.063 9.760 1.00 0.00 C ATOM 749 C GLN A 50 7.920 -9.305 9.853 1.00 0.00 C ATOM 750 O GLN A 50 7.278 -8.927 10.812 1.00 0.00 O ATOM 751 CB GLN A 50 10.182 -10.022 10.681 1.00 0.00 C ATOM 752 CG GLN A 50 11.484 -10.460 10.005 1.00 0.00 C ATOM 753 CD GLN A 50 12.338 -11.245 11.005 1.00 0.00 C ATOM 754 OE1 GLN A 50 11.860 -11.644 12.049 1.00 0.00 O ATOM 755 NE2 GLN A 50 13.590 -11.484 10.727 1.00 0.00 N ATOM 0 H GLN A 50 9.781 -7.604 11.281 1.00 0.00 H new ATOM 0 HA GLN A 50 9.708 -9.197 8.715 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.399 -9.535 11.632 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.564 -10.892 10.902 1.00 0.00 H new ATOM 0 HG2 GLN A 50 11.264 -11.078 9.134 1.00 0.00 H new ATOM 0 HG3 GLN A 50 12.032 -9.588 9.648 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.991 -11.149 9.851 1.00 0.00 H new ATOM 0 HE22 GLN A 50 14.168 -12.006 11.386 1.00 0.00 H new ATOM 764 N GLU A 51 7.349 -9.936 8.863 1.00 0.00 N ATOM 765 CA GLU A 51 5.882 -10.203 8.898 1.00 0.00 C ATOM 766 C GLU A 51 5.618 -11.708 8.823 1.00 0.00 C ATOM 767 O GLU A 51 6.276 -12.429 8.101 1.00 0.00 O ATOM 768 CB GLU A 51 5.320 -9.497 7.665 1.00 0.00 C ATOM 769 CG GLU A 51 3.799 -9.658 7.635 1.00 0.00 C ATOM 770 CD GLU A 51 3.246 -9.041 6.349 1.00 0.00 C ATOM 771 OE1 GLU A 51 4.037 -8.756 5.465 1.00 0.00 O ATOM 772 OE2 GLU A 51 2.041 -8.863 6.271 1.00 0.00 O ATOM 0 H GLU A 51 7.833 -10.278 8.033 1.00 0.00 H new ATOM 0 HA GLU A 51 5.419 -9.845 9.817 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.584 -8.440 7.686 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.759 -9.917 6.760 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.533 -10.714 7.688 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.354 -9.173 8.504 1.00 0.00 H new ATOM 779 N GLY A 52 4.656 -12.187 9.563 1.00 0.00 N ATOM 780 CA GLY A 52 4.349 -13.643 9.535 1.00 0.00 C ATOM 781 C GLY A 52 3.097 -13.915 10.371 1.00 0.00 C ATOM 782 O GLY A 52 2.673 -13.090 11.157 1.00 0.00 O ATOM 0 H GLY A 52 4.069 -11.632 10.186 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.193 -13.973 8.508 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.192 -14.211 9.928 1.00 0.00 H new ATOM 786 N PHE A 53 2.504 -15.066 10.215 1.00 0.00 N ATOM 787 CA PHE A 53 1.282 -15.387 11.007 1.00 0.00 C ATOM 788 C PHE A 53 1.669 -15.687 12.456 1.00 0.00 C ATOM 789 O PHE A 53 2.725 -16.225 12.727 1.00 0.00 O ATOM 790 CB PHE A 53 0.688 -16.624 10.337 1.00 0.00 C ATOM 791 CG PHE A 53 0.247 -16.272 8.936 1.00 0.00 C ATOM 792 CD1 PHE A 53 -0.898 -15.490 8.738 1.00 0.00 C ATOM 793 CD2 PHE A 53 0.985 -16.725 7.835 1.00 0.00 C ATOM 794 CE1 PHE A 53 -1.305 -15.161 7.440 1.00 0.00 C ATOM 795 CE2 PHE A 53 0.577 -16.396 6.537 1.00 0.00 C ATOM 796 CZ PHE A 53 -0.568 -15.614 6.339 1.00 0.00 C ATOM 0 H PHE A 53 2.812 -15.798 9.574 1.00 0.00 H new ATOM 0 HA PHE A 53 0.569 -14.562 11.030 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.427 -17.425 10.307 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.159 -16.993 10.915 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.467 -15.141 9.587 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.868 -17.328 7.987 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.188 -14.558 7.288 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.145 -16.745 5.688 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.882 -15.360 5.337 1.00 0.00 H new ATOM 806 N ILE A 54 0.830 -15.339 13.390 1.00 0.00 N ATOM 807 CA ILE A 54 1.162 -15.602 14.820 1.00 0.00 C ATOM 808 C ILE A 54 -0.084 -16.056 15.585 1.00 0.00 C ATOM 809 O ILE A 54 -1.173 -15.576 15.343 1.00 0.00 O ATOM 810 CB ILE A 54 1.661 -14.262 15.360 1.00 0.00 C ATOM 811 CG1 ILE A 54 0.480 -13.301 15.513 1.00 0.00 C ATOM 812 CG2 ILE A 54 2.680 -13.666 14.386 1.00 0.00 C ATOM 813 CD1 ILE A 54 -0.020 -13.330 16.959 1.00 0.00 C ATOM 0 H ILE A 54 -0.069 -14.885 13.228 1.00 0.00 H new ATOM 0 HA ILE A 54 1.904 -16.393 14.931 1.00 0.00 H new ATOM 0 HB ILE A 54 2.133 -14.416 16.331 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.783 -12.290 15.243 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.324 -13.585 14.834 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.036 -12.710 14.771 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.522 -14.349 14.277 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.209 -13.513 13.415 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.861 -12.645 17.067 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.340 -14.341 17.213 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.784 -13.025 17.628 1.00 0.00 H new ATOM 825 N PRO A 55 0.129 -16.967 16.493 1.00 0.00 N ATOM 826 CA PRO A 55 -1.014 -17.469 17.298 1.00 0.00 C ATOM 827 C PRO A 55 -1.610 -16.332 18.132 1.00 0.00 C ATOM 828 O PRO A 55 -0.918 -15.421 18.540 1.00 0.00 O ATOM 829 CB PRO A 55 -0.395 -18.537 18.194 1.00 0.00 C ATOM 830 CG PRO A 55 1.044 -18.160 18.293 1.00 0.00 C ATOM 831 CD PRO A 55 1.407 -17.486 16.999 1.00 0.00 C ATOM 0 HA PRO A 55 -1.827 -17.862 16.688 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -0.869 -18.554 19.176 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.515 -19.532 17.765 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.211 -17.491 19.137 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.664 -19.041 18.457 1.00 0.00 H new ATOM 0 HD2 PRO A 55 2.128 -16.684 17.156 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.858 -18.188 16.297 1.00 0.00 H new ATOM 839 N PHE A 56 -2.890 -16.373 18.378 1.00 0.00 N ATOM 840 CA PHE A 56 -3.531 -15.285 19.174 1.00 0.00 C ATOM 841 C PHE A 56 -3.394 -15.554 20.678 1.00 0.00 C ATOM 842 O PHE A 56 -3.837 -14.771 21.496 1.00 0.00 O ATOM 843 CB PHE A 56 -5.003 -15.307 18.753 1.00 0.00 C ATOM 844 CG PHE A 56 -5.718 -16.450 19.439 1.00 0.00 C ATOM 845 CD1 PHE A 56 -5.661 -17.740 18.900 1.00 0.00 C ATOM 846 CD2 PHE A 56 -6.438 -16.215 20.617 1.00 0.00 C ATOM 847 CE1 PHE A 56 -6.322 -18.796 19.538 1.00 0.00 C ATOM 848 CE2 PHE A 56 -7.099 -17.271 21.256 1.00 0.00 C ATOM 849 CZ PHE A 56 -7.041 -18.562 20.716 1.00 0.00 C ATOM 0 H PHE A 56 -3.520 -17.111 18.064 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.064 -14.317 18.992 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.479 -14.361 19.012 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.079 -15.416 17.671 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.107 -17.921 17.991 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.483 -15.219 21.033 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.277 -19.791 19.121 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.653 -17.090 22.165 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.551 -19.377 21.208 1.00 0.00 H new ATOM 859 N ASN A 57 -2.795 -16.652 21.054 1.00 0.00 N ATOM 860 CA ASN A 57 -2.651 -16.955 22.509 1.00 0.00 C ATOM 861 C ASN A 57 -1.293 -16.473 23.029 1.00 0.00 C ATOM 862 O ASN A 57 -1.137 -16.184 24.199 1.00 0.00 O ATOM 863 CB ASN A 57 -2.751 -18.477 22.605 1.00 0.00 C ATOM 864 CG ASN A 57 -4.162 -18.922 22.215 1.00 0.00 C ATOM 865 OD1 ASN A 57 -5.135 -18.310 22.610 1.00 0.00 O ATOM 866 ND2 ASN A 57 -4.316 -19.969 21.452 1.00 0.00 N ATOM 0 H ASN A 57 -2.401 -17.349 20.422 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.411 -16.454 23.109 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.017 -18.942 21.947 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.523 -18.804 23.620 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -5.253 -20.274 21.187 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.500 -20.483 21.120 1.00 0.00 H new ATOM 873 N PHE A 58 -0.309 -16.387 22.177 1.00 0.00 N ATOM 874 CA PHE A 58 1.032 -15.926 22.640 1.00 0.00 C ATOM 875 C PHE A 58 1.152 -14.406 22.498 1.00 0.00 C ATOM 876 O PHE A 58 2.204 -13.835 22.703 1.00 0.00 O ATOM 877 CB PHE A 58 2.037 -16.635 21.729 1.00 0.00 C ATOM 878 CG PHE A 58 1.805 -18.129 21.779 1.00 0.00 C ATOM 879 CD1 PHE A 58 1.167 -18.705 22.886 1.00 0.00 C ATOM 880 CD2 PHE A 58 2.229 -18.937 20.719 1.00 0.00 C ATOM 881 CE1 PHE A 58 0.955 -20.088 22.931 1.00 0.00 C ATOM 882 CE2 PHE A 58 2.017 -20.320 20.763 1.00 0.00 C ATOM 883 CZ PHE A 58 1.380 -20.896 21.869 1.00 0.00 C ATOM 0 H PHE A 58 -0.374 -16.615 21.185 1.00 0.00 H new ATOM 0 HA PHE A 58 1.205 -16.158 23.691 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.932 -16.275 20.706 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.054 -16.404 22.045 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.839 -18.082 23.705 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.720 -18.493 19.866 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.464 -20.532 23.784 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.345 -20.943 19.944 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.216 -21.963 21.903 1.00 0.00 H new ATOM 893 N VAL A 59 0.082 -13.747 22.150 1.00 0.00 N ATOM 894 CA VAL A 59 0.135 -12.265 21.998 1.00 0.00 C ATOM 895 C VAL A 59 -1.050 -11.620 22.723 1.00 0.00 C ATOM 896 O VAL A 59 -2.147 -12.141 22.722 1.00 0.00 O ATOM 897 CB VAL A 59 0.043 -12.015 20.494 1.00 0.00 C ATOM 898 CG1 VAL A 59 1.290 -12.575 19.806 1.00 0.00 C ATOM 899 CG2 VAL A 59 -1.201 -12.707 19.936 1.00 0.00 C ATOM 0 H VAL A 59 -0.827 -14.170 21.964 1.00 0.00 H new ATOM 0 HA VAL A 59 1.042 -11.838 22.425 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.024 -10.943 20.308 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.224 -12.397 18.733 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.177 -12.081 20.202 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.358 -13.647 19.992 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.266 -12.528 18.863 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.135 -13.779 20.122 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.090 -12.308 20.425 1.00 0.00 H new ATOM 909 N ALA A 60 -0.837 -10.492 23.344 1.00 0.00 N ATOM 910 CA ALA A 60 -1.954 -9.820 24.069 1.00 0.00 C ATOM 911 C ALA A 60 -2.019 -8.338 23.686 1.00 0.00 C ATOM 912 O ALA A 60 -1.057 -7.765 23.217 1.00 0.00 O ATOM 913 CB ALA A 60 -1.614 -9.976 25.551 1.00 0.00 C ATOM 0 H ALA A 60 0.060 -10.007 23.381 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.924 -10.253 23.825 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.391 -9.506 26.154 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.552 -11.035 25.801 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.656 -9.498 25.757 1.00 0.00 H new ATOM 919 N LYS A 61 -3.149 -7.715 23.882 1.00 0.00 N ATOM 920 CA LYS A 61 -3.276 -6.272 23.529 1.00 0.00 C ATOM 921 C LYS A 61 -2.560 -5.407 24.569 1.00 0.00 C ATOM 922 O LYS A 61 -2.822 -5.496 25.753 1.00 0.00 O ATOM 923 CB LYS A 61 -4.780 -5.992 23.541 1.00 0.00 C ATOM 924 CG LYS A 61 -5.450 -6.766 22.404 1.00 0.00 C ATOM 925 CD LYS A 61 -6.924 -6.366 22.315 1.00 0.00 C ATOM 926 CE LYS A 61 -7.610 -7.189 21.223 1.00 0.00 C ATOM 927 NZ LYS A 61 -8.773 -6.361 20.794 1.00 0.00 N ATOM 0 H LYS A 61 -3.989 -8.142 24.271 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.826 -6.042 22.563 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.208 -6.287 24.499 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.963 -4.924 23.426 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.947 -6.555 21.460 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.363 -7.838 22.579 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.416 -6.532 23.274 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.011 -5.302 22.092 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.934 -7.382 20.390 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.933 -8.158 21.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.296 -6.858 20.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.402 -6.199 21.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.434 -5.447 20.431 1.00 0.00 H new ATOM 941 N ALA A 62 -1.656 -4.570 24.137 1.00 0.00 N ATOM 942 CA ALA A 62 -0.924 -3.700 25.102 1.00 0.00 C ATOM 943 C ALA A 62 -1.852 -2.608 25.640 1.00 0.00 C ATOM 944 O ALA A 62 -2.768 -2.174 24.970 1.00 0.00 O ATOM 945 CB ALA A 62 0.217 -3.084 24.291 1.00 0.00 C ATOM 0 H ALA A 62 -1.393 -4.451 23.159 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.557 -4.256 25.965 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.806 -2.428 24.932 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.855 -3.877 23.900 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.195 -2.508 23.462 1.00 0.00 H new ATOM 951 N ASN A 63 -1.622 -2.162 26.844 1.00 0.00 N ATOM 952 CA ASN A 63 -2.493 -1.098 27.424 1.00 0.00 C ATOM 953 C ASN A 63 -1.741 0.235 27.466 1.00 0.00 C ATOM 954 O ASN A 63 -0.552 0.214 27.742 1.00 0.00 O ATOM 955 CB ASN A 63 -2.816 -1.577 28.839 1.00 0.00 C ATOM 956 CG ASN A 63 -3.756 -2.783 28.767 1.00 0.00 C ATOM 957 OD1 ASN A 63 -4.327 -3.061 27.732 1.00 0.00 O ATOM 958 ND2 ASN A 63 -3.940 -3.515 29.832 1.00 0.00 N ATOM 959 OXT ASN A 63 -2.366 1.253 27.221 1.00 0.00 O ATOM 0 H ASN A 63 -0.870 -2.487 27.452 1.00 0.00 H new ATOM 0 HA ASN A 63 -3.395 -0.935 26.834 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.898 -1.848 29.361 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -3.281 -0.773 29.409 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -4.564 -4.321 29.795 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -3.460 -3.281 30.701 1.00 0.00 H new TER 966 ASN A 63