USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 837 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 26 ASN :FLIP amide:sc= 0 X(o=-9,f=-8.8) USER MOD Set 1.2: A 27 GLN :FLIP amide:sc= -8.77! C(o=-10!,f=-8.8!) USER MOD Set 2.1: A 6 ASN :FLIP amide:sc= -0.63 F(o=-4.2,f=-1.2) USER MOD Set 2.2: A 7 SER OG : rot 131:sc= -0.591 USER MOD Single : A 1 GLY N :NH3+ -170:sc= 0 (180deg=-0.129) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.397 K(o=-0.4,f=-2.9!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -59:sc= 0.746 USER MOD Single : A 20 GLN :FLIP amide:sc= -2.88! C(o=-3.7!,f=-2.9!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN :FLIP amide:sc= -2.29 F(o=-4.1!,f=-2.3) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.103 K(o=-0.1,f=-1.6) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -126:sc= -0.0968 (180deg=-0.594) USER MOD Single : A 51 SER OG : rot 49:sc= 1.16 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 58:sc= -1.02 USER MOD Single : A 65 SER OG : rot 87:sc= -2.5! USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -2.07! USER MOD Single : A 79 CYS SG : rot 180:sc= -0.016 USER MOD Single : A 83 HIS : no HE2:sc= -13.2! C(o=-13!,f=-15!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.515 X(o=-0.52,f=-0.29) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.0792 X(o=-0.079,f=-0.31) USER MOD Single : A 109 THR OG1 : rot 87:sc= 0.724 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 59.904 -0.728 10.751 1.00 0.00 N ATOM 2 CA GLY A 1 59.672 -2.155 10.388 1.00 0.00 C ATOM 3 C GLY A 1 60.152 -3.057 11.527 1.00 0.00 C ATOM 4 O GLY A 1 59.558 -4.076 11.816 1.00 0.00 O ATOM 0 H1 GLY A 1 59.429 -0.112 10.061 1.00 0.00 H new ATOM 0 H2 GLY A 1 59.520 -0.544 11.700 1.00 0.00 H new ATOM 0 H3 GLY A 1 60.925 -0.530 10.746 1.00 0.00 H new ATOM 0 HA2 GLY A 1 58.612 -2.325 10.197 1.00 0.00 H new ATOM 0 HA3 GLY A 1 60.204 -2.398 9.468 1.00 0.00 H new ATOM 10 N SER A 2 61.223 -2.688 12.177 1.00 0.00 N ATOM 11 CA SER A 2 61.739 -3.527 13.297 1.00 0.00 C ATOM 12 C SER A 2 62.156 -4.905 12.778 1.00 0.00 C ATOM 13 O SER A 2 61.572 -5.913 13.124 1.00 0.00 O ATOM 14 CB SER A 2 60.569 -3.651 14.271 1.00 0.00 C ATOM 15 OG SER A 2 61.015 -3.337 15.584 1.00 0.00 O ATOM 0 H SER A 2 61.762 -1.844 11.982 1.00 0.00 H new ATOM 0 HA SER A 2 62.617 -3.088 13.770 1.00 0.00 H new ATOM 0 HB2 SER A 2 59.764 -2.978 13.977 1.00 0.00 H new ATOM 0 HB3 SER A 2 60.164 -4.663 14.244 1.00 0.00 H new ATOM 0 HG SER A 2 60.266 -3.414 16.211 1.00 0.00 H new ATOM 21 N LEU A 3 63.163 -4.957 11.950 1.00 0.00 N ATOM 22 CA LEU A 3 63.617 -6.272 11.410 1.00 0.00 C ATOM 23 C LEU A 3 64.987 -6.635 11.987 1.00 0.00 C ATOM 24 O LEU A 3 65.940 -5.890 11.866 1.00 0.00 O ATOM 25 CB LEU A 3 63.710 -6.067 9.898 1.00 0.00 C ATOM 26 CG LEU A 3 62.563 -6.810 9.211 1.00 0.00 C ATOM 27 CD1 LEU A 3 61.459 -5.818 8.845 1.00 0.00 C ATOM 28 CD2 LEU A 3 63.082 -7.486 7.940 1.00 0.00 C ATOM 0 H LEU A 3 63.691 -4.148 11.624 1.00 0.00 H new ATOM 0 HA LEU A 3 62.937 -7.083 11.671 1.00 0.00 H new ATOM 0 HB2 LEU A 3 63.663 -5.004 9.661 1.00 0.00 H new ATOM 0 HB3 LEU A 3 64.668 -6.434 9.529 1.00 0.00 H new ATOM 0 HG LEU A 3 62.163 -7.565 9.888 1.00 0.00 H new ATOM 0 HD11 LEU A 3 60.642 -6.348 8.355 1.00 0.00 H new ATOM 0 HD12 LEU A 3 61.089 -5.336 9.750 1.00 0.00 H new ATOM 0 HD13 LEU A 3 61.858 -5.062 8.169 1.00 0.00 H new ATOM 0 HD21 LEU A 3 62.265 -8.016 7.450 1.00 0.00 H new ATOM 0 HD22 LEU A 3 63.482 -6.731 7.264 1.00 0.00 H new ATOM 0 HD23 LEU A 3 63.869 -8.194 8.200 1.00 0.00 H new ATOM 40 N GLN A 4 65.094 -7.775 12.614 1.00 0.00 N ATOM 41 CA GLN A 4 66.404 -8.184 13.198 1.00 0.00 C ATOM 42 C GLN A 4 67.130 -9.140 12.248 1.00 0.00 C ATOM 43 O GLN A 4 66.699 -10.253 12.020 1.00 0.00 O ATOM 44 CB GLN A 4 66.050 -8.892 14.506 1.00 0.00 C ATOM 45 CG GLN A 4 65.999 -7.868 15.642 1.00 0.00 C ATOM 46 CD GLN A 4 64.633 -7.932 16.328 1.00 0.00 C ATOM 47 OE1 GLN A 4 63.681 -8.436 15.766 1.00 0.00 O ATOM 48 NE2 GLN A 4 64.495 -7.437 17.529 1.00 0.00 N ATOM 0 H GLN A 4 64.332 -8.440 12.747 1.00 0.00 H new ATOM 0 HA GLN A 4 67.068 -7.335 13.361 1.00 0.00 H new ATOM 0 HB2 GLN A 4 65.087 -9.394 14.411 1.00 0.00 H new ATOM 0 HB3 GLN A 4 66.790 -9.661 14.728 1.00 0.00 H new ATOM 0 HG2 GLN A 4 66.790 -8.071 16.364 1.00 0.00 H new ATOM 0 HG3 GLN A 4 66.174 -6.866 15.250 1.00 0.00 H new ATOM 0 HE21 GLN A 4 65.294 -7.014 18.001 1.00 0.00 H new ATOM 0 HE22 GLN A 4 63.588 -7.474 17.995 1.00 0.00 H new ATOM 57 N ASP A 5 68.231 -8.714 11.691 1.00 0.00 N ATOM 58 CA ASP A 5 68.984 -9.599 10.755 1.00 0.00 C ATOM 59 C ASP A 5 70.403 -9.837 11.279 1.00 0.00 C ATOM 60 O ASP A 5 71.056 -8.936 11.766 1.00 0.00 O ATOM 61 CB ASP A 5 69.021 -8.834 9.431 1.00 0.00 C ATOM 62 CG ASP A 5 67.935 -9.374 8.499 1.00 0.00 C ATOM 63 OD1 ASP A 5 67.181 -10.228 8.934 1.00 0.00 O ATOM 64 OD2 ASP A 5 67.875 -8.924 7.367 1.00 0.00 O ATOM 0 H ASP A 5 68.642 -7.793 11.843 1.00 0.00 H new ATOM 0 HA ASP A 5 68.518 -10.578 10.646 1.00 0.00 H new ATOM 0 HB2 ASP A 5 68.866 -7.770 9.609 1.00 0.00 H new ATOM 0 HB3 ASP A 5 70.001 -8.940 8.965 1.00 0.00 H new ATOM 69 N ASN A 6 70.885 -11.046 11.182 1.00 0.00 N ATOM 70 CA ASN A 6 72.260 -11.344 11.676 1.00 0.00 C ATOM 71 C ASN A 6 72.928 -12.393 10.780 1.00 0.00 C ATOM 72 O ASN A 6 72.567 -13.553 10.794 1.00 0.00 O ATOM 73 CB ASN A 6 72.063 -11.892 13.089 1.00 0.00 C ATOM 74 CG ASN A 6 73.387 -12.454 13.611 1.00 0.00 C ATOM 75 OD1 ASN A 6 74.510 -12.004 13.123 1.00 0.00 O flip ATOM 76 ND2 ASN A 6 73.399 -13.312 14.470 1.00 0.00 N flip ATOM 0 H ASN A 6 70.386 -11.841 10.782 1.00 0.00 H new ATOM 0 HA ASN A 6 72.902 -10.464 11.667 1.00 0.00 H new ATOM 0 HB2 ASN A 6 71.706 -11.102 13.750 1.00 0.00 H new ATOM 0 HB3 ASN A 6 71.302 -12.672 13.085 1.00 0.00 H new ATOM 0 HD21 ASN A 6 72.521 -13.664 14.852 1.00 0.00 H new ATOM 0 HD22 ASN A 6 74.287 -13.681 14.810 1.00 0.00 H new ATOM 83 N SER A 7 73.898 -11.994 10.004 1.00 0.00 N ATOM 84 CA SER A 7 74.587 -12.969 9.110 1.00 0.00 C ATOM 85 C SER A 7 73.617 -13.484 8.043 1.00 0.00 C ATOM 86 O SER A 7 72.654 -14.161 8.339 1.00 0.00 O ATOM 87 CB SER A 7 75.026 -14.108 10.031 1.00 0.00 C ATOM 88 OG SER A 7 75.464 -13.566 11.270 1.00 0.00 O ATOM 0 H SER A 7 74.244 -11.036 9.950 1.00 0.00 H new ATOM 0 HA SER A 7 75.431 -12.523 8.583 1.00 0.00 H new ATOM 0 HB2 SER A 7 74.199 -14.798 10.195 1.00 0.00 H new ATOM 0 HB3 SER A 7 75.830 -14.678 9.566 1.00 0.00 H new ATOM 0 HG SER A 7 75.034 -14.047 12.008 1.00 0.00 H new ATOM 94 N SER A 8 73.864 -13.166 6.800 1.00 0.00 N ATOM 95 CA SER A 8 72.955 -13.636 5.714 1.00 0.00 C ATOM 96 C SER A 8 73.519 -13.246 4.344 1.00 0.00 C ATOM 97 O SER A 8 74.172 -12.232 4.197 1.00 0.00 O ATOM 98 CB SER A 8 71.630 -12.920 5.972 1.00 0.00 C ATOM 99 OG SER A 8 71.513 -11.814 5.085 1.00 0.00 O ATOM 0 H SER A 8 74.655 -12.602 6.490 1.00 0.00 H new ATOM 0 HA SER A 8 72.840 -14.720 5.711 1.00 0.00 H new ATOM 0 HB2 SER A 8 70.797 -13.608 5.826 1.00 0.00 H new ATOM 0 HB3 SER A 8 71.583 -12.578 7.006 1.00 0.00 H new ATOM 0 HG SER A 8 70.663 -11.353 5.247 1.00 0.00 H new ATOM 105 N TYR A 9 73.271 -14.043 3.341 1.00 0.00 N ATOM 106 CA TYR A 9 73.792 -13.719 1.981 1.00 0.00 C ATOM 107 C TYR A 9 75.322 -13.667 1.998 1.00 0.00 C ATOM 108 O TYR A 9 75.927 -13.465 3.032 1.00 0.00 O ATOM 109 CB TYR A 9 73.211 -12.343 1.652 1.00 0.00 C ATOM 110 CG TYR A 9 72.263 -12.466 0.484 1.00 0.00 C ATOM 111 CD1 TYR A 9 71.427 -13.583 0.376 1.00 0.00 C ATOM 112 CD2 TYR A 9 72.220 -11.463 -0.493 1.00 0.00 C ATOM 113 CE1 TYR A 9 70.548 -13.700 -0.707 1.00 0.00 C ATOM 114 CE2 TYR A 9 71.340 -11.578 -1.576 1.00 0.00 C ATOM 115 CZ TYR A 9 70.505 -12.697 -1.683 1.00 0.00 C ATOM 116 OH TYR A 9 69.639 -12.811 -2.751 1.00 0.00 O ATOM 0 H TYR A 9 72.730 -14.905 3.404 1.00 0.00 H new ATOM 0 HA TYR A 9 73.509 -14.468 1.241 1.00 0.00 H new ATOM 0 HB2 TYR A 9 72.687 -11.940 2.519 1.00 0.00 H new ATOM 0 HB3 TYR A 9 74.013 -11.645 1.412 1.00 0.00 H new ATOM 0 HD1 TYR A 9 71.460 -14.356 1.129 1.00 0.00 H new ATOM 0 HD2 TYR A 9 72.866 -10.601 -0.411 1.00 0.00 H new ATOM 0 HE1 TYR A 9 69.904 -14.563 -0.790 1.00 0.00 H new ATOM 0 HE2 TYR A 9 71.305 -10.804 -2.328 1.00 0.00 H new ATOM 0 HH TYR A 9 69.735 -12.029 -3.335 1.00 0.00 H new ATOM 126 N PRO A 10 75.895 -13.852 0.840 1.00 0.00 N ATOM 127 CA PRO A 10 77.373 -13.828 0.707 1.00 0.00 C ATOM 128 C PRO A 10 77.934 -12.493 1.205 1.00 0.00 C ATOM 129 O PRO A 10 77.378 -11.862 2.080 1.00 0.00 O ATOM 130 CB PRO A 10 77.616 -13.991 -0.794 1.00 0.00 C ATOM 131 CG PRO A 10 76.335 -14.525 -1.358 1.00 0.00 C ATOM 132 CD PRO A 10 75.224 -14.099 -0.438 1.00 0.00 C ATOM 0 HA PRO A 10 77.861 -14.605 1.295 1.00 0.00 H new ATOM 0 HB2 PRO A 10 77.879 -13.038 -1.254 1.00 0.00 H new ATOM 0 HB3 PRO A 10 78.443 -14.675 -0.984 1.00 0.00 H new ATOM 0 HG2 PRO A 10 76.169 -14.140 -2.364 1.00 0.00 H new ATOM 0 HG3 PRO A 10 76.374 -15.612 -1.435 1.00 0.00 H new ATOM 0 HD2 PRO A 10 74.723 -13.203 -0.805 1.00 0.00 H new ATOM 0 HD3 PRO A 10 74.463 -14.874 -0.346 1.00 0.00 H new ATOM 140 N ASP A 11 79.035 -12.064 0.651 1.00 0.00 N ATOM 141 CA ASP A 11 79.641 -10.771 1.085 1.00 0.00 C ATOM 142 C ASP A 11 79.979 -10.813 2.574 1.00 0.00 C ATOM 143 O ASP A 11 79.490 -10.018 3.349 1.00 0.00 O ATOM 144 CB ASP A 11 78.575 -9.711 0.805 1.00 0.00 C ATOM 145 CG ASP A 11 78.192 -9.749 -0.676 1.00 0.00 C ATOM 146 OD1 ASP A 11 78.988 -10.237 -1.461 1.00 0.00 O ATOM 147 OD2 ASP A 11 77.109 -9.290 -0.998 1.00 0.00 O ATOM 0 H ASP A 11 79.543 -12.554 -0.085 1.00 0.00 H new ATOM 0 HA ASP A 11 80.571 -10.559 0.557 1.00 0.00 H new ATOM 0 HB2 ASP A 11 77.696 -9.892 1.423 1.00 0.00 H new ATOM 0 HB3 ASP A 11 78.952 -8.723 1.069 1.00 0.00 H new ATOM 152 N GLU A 12 80.819 -11.729 2.975 1.00 0.00 N ATOM 153 CA GLU A 12 81.199 -11.823 4.414 1.00 0.00 C ATOM 154 C GLU A 12 82.197 -12.965 4.624 1.00 0.00 C ATOM 155 O GLU A 12 83.307 -12.746 5.068 1.00 0.00 O ATOM 156 CB GLU A 12 79.892 -12.104 5.154 1.00 0.00 C ATOM 157 CG GLU A 12 79.374 -10.806 5.772 1.00 0.00 C ATOM 158 CD GLU A 12 79.533 -10.861 7.292 1.00 0.00 C ATOM 159 OE1 GLU A 12 80.593 -11.263 7.742 1.00 0.00 O ATOM 160 OE2 GLU A 12 78.591 -10.503 7.980 1.00 0.00 O ATOM 0 H GLU A 12 81.260 -12.418 2.366 1.00 0.00 H new ATOM 0 HA GLU A 12 81.680 -10.914 4.774 1.00 0.00 H new ATOM 0 HB2 GLU A 12 79.152 -12.514 4.467 1.00 0.00 H new ATOM 0 HB3 GLU A 12 80.054 -12.851 5.931 1.00 0.00 H new ATOM 0 HG2 GLU A 12 79.924 -9.955 5.369 1.00 0.00 H new ATOM 0 HG3 GLU A 12 78.326 -10.660 5.511 1.00 0.00 H new ATOM 167 N PRO A 13 81.764 -14.152 4.294 1.00 0.00 N ATOM 168 CA PRO A 13 82.631 -15.346 4.446 1.00 0.00 C ATOM 169 C PRO A 13 83.797 -15.285 3.456 1.00 0.00 C ATOM 170 O PRO A 13 84.695 -16.104 3.486 1.00 0.00 O ATOM 171 CB PRO A 13 81.707 -16.518 4.120 1.00 0.00 C ATOM 172 CG PRO A 13 80.571 -15.929 3.343 1.00 0.00 C ATOM 173 CD PRO A 13 80.444 -14.487 3.755 1.00 0.00 C ATOM 0 HA PRO A 13 83.072 -15.426 5.439 1.00 0.00 H new ATOM 0 HB2 PRO A 13 82.228 -17.278 3.538 1.00 0.00 H new ATOM 0 HB3 PRO A 13 81.351 -17.002 5.030 1.00 0.00 H new ATOM 0 HG2 PRO A 13 80.757 -16.007 2.272 1.00 0.00 H new ATOM 0 HG3 PRO A 13 79.646 -16.469 3.546 1.00 0.00 H new ATOM 0 HD2 PRO A 13 80.186 -13.852 2.908 1.00 0.00 H new ATOM 0 HD3 PRO A 13 79.662 -14.353 4.503 1.00 0.00 H new ATOM 181 N TRP A 14 83.790 -14.320 2.577 1.00 0.00 N ATOM 182 CA TRP A 14 84.895 -14.205 1.585 1.00 0.00 C ATOM 183 C TRP A 14 85.889 -13.126 2.049 1.00 0.00 C ATOM 184 O TRP A 14 86.756 -12.702 1.310 1.00 0.00 O ATOM 185 CB TRP A 14 84.184 -13.826 0.272 1.00 0.00 C ATOM 186 CG TRP A 14 85.004 -12.859 -0.523 1.00 0.00 C ATOM 187 CD1 TRP A 14 85.753 -13.173 -1.604 1.00 0.00 C ATOM 188 CD2 TRP A 14 85.167 -11.429 -0.312 1.00 0.00 C ATOM 189 NE1 TRP A 14 86.365 -12.023 -2.071 1.00 0.00 N ATOM 190 CE2 TRP A 14 86.035 -10.921 -1.306 1.00 0.00 C ATOM 191 CE3 TRP A 14 84.649 -10.534 0.640 1.00 0.00 C ATOM 192 CZ2 TRP A 14 86.377 -9.570 -1.355 1.00 0.00 C ATOM 193 CZ3 TRP A 14 84.991 -9.174 0.595 1.00 0.00 C ATOM 194 CH2 TRP A 14 85.854 -8.692 -0.400 1.00 0.00 C ATOM 0 H TRP A 14 83.066 -13.606 2.504 1.00 0.00 H new ATOM 0 HA TRP A 14 85.479 -15.117 1.464 1.00 0.00 H new ATOM 0 HB2 TRP A 14 84.000 -14.724 -0.318 1.00 0.00 H new ATOM 0 HB3 TRP A 14 83.212 -13.387 0.495 1.00 0.00 H new ATOM 0 HD1 TRP A 14 85.857 -14.159 -2.032 1.00 0.00 H new ATOM 0 HE1 TRP A 14 86.984 -11.993 -2.881 1.00 0.00 H new ATOM 0 HE3 TRP A 14 83.984 -10.895 1.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 87.041 -9.204 -2.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 84.587 -8.494 1.331 1.00 0.00 H new ATOM 0 HH2 TRP A 14 86.114 -7.644 -0.429 1.00 0.00 H new ATOM 205 N ARG A 15 85.768 -12.687 3.272 1.00 0.00 N ATOM 206 CA ARG A 15 86.699 -11.642 3.789 1.00 0.00 C ATOM 207 C ARG A 15 88.154 -12.033 3.506 1.00 0.00 C ATOM 208 O ARG A 15 88.429 -13.044 2.891 1.00 0.00 O ATOM 209 CB ARG A 15 86.439 -11.592 5.295 1.00 0.00 C ATOM 210 CG ARG A 15 86.393 -13.015 5.856 1.00 0.00 C ATOM 211 CD ARG A 15 87.487 -13.184 6.913 1.00 0.00 C ATOM 212 NE ARG A 15 87.562 -14.652 7.158 1.00 0.00 N ATOM 213 CZ ARG A 15 86.623 -15.250 7.840 1.00 0.00 C ATOM 214 NH1 ARG A 15 86.305 -14.823 9.031 1.00 0.00 N ATOM 215 NH2 ARG A 15 86.002 -16.278 7.329 1.00 0.00 N ATOM 0 H ARG A 15 85.064 -13.007 3.937 1.00 0.00 H new ATOM 0 HA ARG A 15 86.536 -10.675 3.313 1.00 0.00 H new ATOM 0 HB2 ARG A 15 87.223 -11.020 5.791 1.00 0.00 H new ATOM 0 HB3 ARG A 15 85.497 -11.081 5.495 1.00 0.00 H new ATOM 0 HG2 ARG A 15 85.415 -13.213 6.295 1.00 0.00 H new ATOM 0 HG3 ARG A 15 86.534 -13.738 5.053 1.00 0.00 H new ATOM 0 HD2 ARG A 15 88.441 -12.793 6.559 1.00 0.00 H new ATOM 0 HD3 ARG A 15 87.240 -12.643 7.827 1.00 0.00 H new ATOM 0 HE ARG A 15 88.348 -15.190 6.793 1.00 0.00 H new ATOM 0 HH11 ARG A 15 86.790 -14.020 9.431 1.00 0.00 H new ATOM 0 HH12 ARG A 15 85.571 -15.292 9.562 1.00 0.00 H new ATOM 0 HH21 ARG A 15 86.251 -16.613 6.398 1.00 0.00 H new ATOM 0 HH22 ARG A 15 85.268 -16.746 7.860 1.00 0.00 H new ATOM 229 N ILE A 16 89.086 -11.234 3.948 1.00 0.00 N ATOM 230 CA ILE A 16 90.526 -11.551 3.703 1.00 0.00 C ATOM 231 C ILE A 16 90.966 -12.740 4.554 1.00 0.00 C ATOM 232 O ILE A 16 90.169 -13.563 4.958 1.00 0.00 O ATOM 233 CB ILE A 16 91.302 -10.285 4.102 1.00 0.00 C ATOM 234 CG1 ILE A 16 91.512 -10.227 5.621 1.00 0.00 C ATOM 235 CG2 ILE A 16 90.531 -9.041 3.666 1.00 0.00 C ATOM 236 CD1 ILE A 16 90.186 -10.473 6.347 1.00 0.00 C ATOM 0 H ILE A 16 88.915 -10.374 4.469 1.00 0.00 H new ATOM 0 HA ILE A 16 90.707 -11.823 2.663 1.00 0.00 H new ATOM 0 HB ILE A 16 92.273 -10.317 3.607 1.00 0.00 H new ATOM 0 HG12 ILE A 16 92.245 -10.975 5.923 1.00 0.00 H new ATOM 0 HG13 ILE A 16 91.915 -9.254 5.903 1.00 0.00 H new ATOM 0 HG21 ILE A 16 91.088 -8.149 3.953 1.00 0.00 H new ATOM 0 HG22 ILE A 16 90.400 -9.055 2.584 1.00 0.00 H new ATOM 0 HG23 ILE A 16 89.554 -9.030 4.150 1.00 0.00 H new ATOM 0 HD11 ILE A 16 90.347 -10.430 7.424 1.00 0.00 H new ATOM 0 HD12 ILE A 16 89.465 -9.709 6.057 1.00 0.00 H new ATOM 0 HD13 ILE A 16 89.801 -11.456 6.077 1.00 0.00 H new ATOM 248 N THR A 17 92.234 -12.826 4.836 1.00 0.00 N ATOM 249 CA THR A 17 92.739 -13.951 5.670 1.00 0.00 C ATOM 250 C THR A 17 93.302 -13.407 6.982 1.00 0.00 C ATOM 251 O THR A 17 94.474 -13.538 7.275 1.00 0.00 O ATOM 252 CB THR A 17 93.834 -14.638 4.839 1.00 0.00 C ATOM 253 OG1 THR A 17 94.777 -15.244 5.713 1.00 0.00 O ATOM 254 CG2 THR A 17 94.550 -13.617 3.947 1.00 0.00 C ATOM 0 H THR A 17 92.945 -12.164 4.524 1.00 0.00 H new ATOM 0 HA THR A 17 91.950 -14.658 5.928 1.00 0.00 H new ATOM 0 HB THR A 17 93.373 -15.396 4.206 1.00 0.00 H new ATOM 0 HG1 THR A 17 95.165 -14.561 6.299 1.00 0.00 H new ATOM 0 HG21 THR A 17 95.322 -14.120 3.365 1.00 0.00 H new ATOM 0 HG22 THR A 17 93.830 -13.156 3.271 1.00 0.00 H new ATOM 0 HG23 THR A 17 95.008 -12.848 4.569 1.00 0.00 H new ATOM 262 N GLU A 18 92.466 -12.794 7.773 1.00 0.00 N ATOM 263 CA GLU A 18 92.930 -12.230 9.070 1.00 0.00 C ATOM 264 C GLU A 18 94.287 -11.546 8.893 1.00 0.00 C ATOM 265 O GLU A 18 95.062 -11.430 9.822 1.00 0.00 O ATOM 266 CB GLU A 18 93.047 -13.432 10.008 1.00 0.00 C ATOM 267 CG GLU A 18 91.804 -13.511 10.896 1.00 0.00 C ATOM 268 CD GLU A 18 92.229 -13.643 12.361 1.00 0.00 C ATOM 269 OE1 GLU A 18 92.894 -12.743 12.848 1.00 0.00 O ATOM 270 OE2 GLU A 18 91.883 -14.642 12.969 1.00 0.00 O ATOM 0 H GLU A 18 91.475 -12.659 7.575 1.00 0.00 H new ATOM 0 HA GLU A 18 92.246 -11.477 9.462 1.00 0.00 H new ATOM 0 HB2 GLU A 18 93.152 -14.349 9.429 1.00 0.00 H new ATOM 0 HB3 GLU A 18 93.941 -13.340 10.624 1.00 0.00 H new ATOM 0 HG2 GLU A 18 91.192 -12.619 10.763 1.00 0.00 H new ATOM 0 HG3 GLU A 18 91.191 -14.364 10.606 1.00 0.00 H new ATOM 277 N GLU A 19 94.572 -11.082 7.709 1.00 0.00 N ATOM 278 CA GLU A 19 95.867 -10.395 7.469 1.00 0.00 C ATOM 279 C GLU A 19 95.604 -8.935 7.111 1.00 0.00 C ATOM 280 O GLU A 19 96.462 -8.084 7.238 1.00 0.00 O ATOM 281 CB GLU A 19 96.504 -11.139 6.295 1.00 0.00 C ATOM 282 CG GLU A 19 97.270 -12.356 6.818 1.00 0.00 C ATOM 283 CD GLU A 19 98.555 -12.538 6.007 1.00 0.00 C ATOM 284 OE1 GLU A 19 99.027 -11.559 5.454 1.00 0.00 O ATOM 285 OE2 GLU A 19 99.044 -13.654 5.953 1.00 0.00 O ATOM 0 H GLU A 19 93.960 -11.150 6.895 1.00 0.00 H new ATOM 0 HA GLU A 19 96.519 -10.403 8.343 1.00 0.00 H new ATOM 0 HB2 GLU A 19 95.735 -11.455 5.591 1.00 0.00 H new ATOM 0 HB3 GLU A 19 97.179 -10.476 5.754 1.00 0.00 H new ATOM 0 HG2 GLU A 19 97.509 -12.223 7.873 1.00 0.00 H new ATOM 0 HG3 GLU A 19 96.650 -13.249 6.742 1.00 0.00 H new ATOM 292 N GLN A 20 94.414 -8.643 6.667 1.00 0.00 N ATOM 293 CA GLN A 20 94.071 -7.238 6.303 1.00 0.00 C ATOM 294 C GLN A 20 92.916 -6.760 7.179 1.00 0.00 C ATOM 295 O GLN A 20 92.733 -5.578 7.399 1.00 0.00 O ATOM 296 CB GLN A 20 93.640 -7.262 4.826 1.00 0.00 C ATOM 297 CG GLN A 20 93.996 -8.604 4.179 1.00 0.00 C ATOM 298 CD GLN A 20 93.593 -8.605 2.700 1.00 0.00 C ATOM 299 OE1 GLN A 20 92.998 -7.561 2.184 1.00 0.00 O flip ATOM 300 NE2 GLN A 20 93.827 -9.570 2.001 1.00 0.00 N flip ATOM 0 H GLN A 20 93.661 -9.319 6.540 1.00 0.00 H new ATOM 0 HA GLN A 20 94.915 -6.564 6.451 1.00 0.00 H new ATOM 0 HB2 GLN A 20 92.566 -7.091 4.753 1.00 0.00 H new ATOM 0 HB3 GLN A 20 94.129 -6.451 4.286 1.00 0.00 H new ATOM 0 HG2 GLN A 20 95.066 -8.787 4.271 1.00 0.00 H new ATOM 0 HG3 GLN A 20 93.488 -9.414 4.702 1.00 0.00 H new ATOM 0 HE21 GLN A 20 94.291 -10.387 2.398 1.00 0.00 H new ATOM 0 HE22 GLN A 20 93.560 -9.564 1.017 1.00 0.00 H new ATOM 309 N ARG A 21 92.139 -7.676 7.682 1.00 0.00 N ATOM 310 CA ARG A 21 90.993 -7.292 8.551 1.00 0.00 C ATOM 311 C ARG A 21 91.518 -6.783 9.894 1.00 0.00 C ATOM 312 O ARG A 21 90.870 -6.014 10.577 1.00 0.00 O ATOM 313 CB ARG A 21 90.187 -8.579 8.737 1.00 0.00 C ATOM 314 CG ARG A 21 89.241 -8.427 9.929 1.00 0.00 C ATOM 315 CD ARG A 21 89.974 -8.819 11.214 1.00 0.00 C ATOM 316 NE ARG A 21 89.194 -9.961 11.765 1.00 0.00 N ATOM 317 CZ ARG A 21 88.657 -9.873 12.952 1.00 0.00 C ATOM 318 NH1 ARG A 21 89.396 -9.559 13.980 1.00 0.00 N ATOM 319 NH2 ARG A 21 87.382 -10.099 13.108 1.00 0.00 N ATOM 0 H ARG A 21 92.248 -8.678 7.528 1.00 0.00 H new ATOM 0 HA ARG A 21 90.385 -6.497 8.119 1.00 0.00 H new ATOM 0 HB2 ARG A 21 89.617 -8.796 7.834 1.00 0.00 H new ATOM 0 HB3 ARG A 21 90.860 -9.421 8.900 1.00 0.00 H new ATOM 0 HG2 ARG A 21 88.888 -7.398 9.998 1.00 0.00 H new ATOM 0 HG3 ARG A 21 88.362 -9.057 9.792 1.00 0.00 H new ATOM 0 HD2 ARG A 21 91.005 -9.107 11.009 1.00 0.00 H new ATOM 0 HD3 ARG A 21 90.009 -7.988 11.918 1.00 0.00 H new ATOM 0 HE ARG A 21 89.079 -10.812 11.215 1.00 0.00 H new ATOM 0 HH11 ARG A 21 90.393 -9.382 13.856 1.00 0.00 H new ATOM 0 HH12 ARG A 21 88.977 -9.490 14.907 1.00 0.00 H new ATOM 0 HH21 ARG A 21 86.805 -10.344 12.303 1.00 0.00 H new ATOM 0 HH22 ARG A 21 86.962 -10.031 14.035 1.00 0.00 H new ATOM 333 N GLU A 22 92.693 -7.202 10.272 1.00 0.00 N ATOM 334 CA GLU A 22 93.268 -6.737 11.565 1.00 0.00 C ATOM 335 C GLU A 22 93.689 -5.272 11.448 1.00 0.00 C ATOM 336 O GLU A 22 93.521 -4.491 12.362 1.00 0.00 O ATOM 337 CB GLU A 22 94.484 -7.632 11.809 1.00 0.00 C ATOM 338 CG GLU A 22 94.017 -9.028 12.226 1.00 0.00 C ATOM 339 CD GLU A 22 95.162 -9.762 12.925 1.00 0.00 C ATOM 340 OE1 GLU A 22 95.659 -9.242 13.910 1.00 0.00 O ATOM 341 OE2 GLU A 22 95.523 -10.833 12.463 1.00 0.00 O ATOM 0 H GLU A 22 93.280 -7.846 9.742 1.00 0.00 H new ATOM 0 HA GLU A 22 92.553 -6.801 12.385 1.00 0.00 H new ATOM 0 HB2 GLU A 22 95.089 -7.695 10.905 1.00 0.00 H new ATOM 0 HB3 GLU A 22 95.115 -7.201 12.586 1.00 0.00 H new ATOM 0 HG2 GLU A 22 93.159 -8.951 12.894 1.00 0.00 H new ATOM 0 HG3 GLU A 22 93.691 -9.590 11.351 1.00 0.00 H new ATOM 348 N TYR A 23 94.232 -4.892 10.323 1.00 0.00 N ATOM 349 CA TYR A 23 94.658 -3.475 10.143 1.00 0.00 C ATOM 350 C TYR A 23 93.429 -2.563 10.075 1.00 0.00 C ATOM 351 O TYR A 23 93.479 -1.409 10.451 1.00 0.00 O ATOM 352 CB TYR A 23 95.416 -3.453 8.816 1.00 0.00 C ATOM 353 CG TYR A 23 96.403 -2.310 8.823 1.00 0.00 C ATOM 354 CD1 TYR A 23 97.308 -2.175 9.881 1.00 0.00 C ATOM 355 CD2 TYR A 23 96.411 -1.387 7.770 1.00 0.00 C ATOM 356 CE1 TYR A 23 98.223 -1.116 9.889 1.00 0.00 C ATOM 357 CE2 TYR A 23 97.326 -0.326 7.778 1.00 0.00 C ATOM 358 CZ TYR A 23 98.231 -0.191 8.837 1.00 0.00 C ATOM 359 OH TYR A 23 99.133 0.853 8.843 1.00 0.00 O ATOM 0 H TYR A 23 94.399 -5.501 9.522 1.00 0.00 H new ATOM 0 HA TYR A 23 95.275 -3.120 10.968 1.00 0.00 H new ATOM 0 HB2 TYR A 23 95.938 -4.398 8.667 1.00 0.00 H new ATOM 0 HB3 TYR A 23 94.717 -3.340 7.987 1.00 0.00 H new ATOM 0 HD1 TYR A 23 97.301 -2.888 10.692 1.00 0.00 H new ATOM 0 HD2 TYR A 23 95.713 -1.493 6.953 1.00 0.00 H new ATOM 0 HE1 TYR A 23 98.922 -1.012 10.705 1.00 0.00 H new ATOM 0 HE2 TYR A 23 97.333 0.387 6.967 1.00 0.00 H new ATOM 0 HH TYR A 23 99.005 1.401 8.040 1.00 0.00 H new ATOM 369 N TYR A 24 92.323 -3.075 9.604 1.00 0.00 N ATOM 370 CA TYR A 24 91.092 -2.239 9.516 1.00 0.00 C ATOM 371 C TYR A 24 90.492 -2.044 10.911 1.00 0.00 C ATOM 372 O TYR A 24 89.971 -0.994 11.231 1.00 0.00 O ATOM 373 CB TYR A 24 90.132 -3.028 8.625 1.00 0.00 C ATOM 374 CG TYR A 24 90.716 -3.164 7.237 1.00 0.00 C ATOM 375 CD1 TYR A 24 91.471 -2.122 6.685 1.00 0.00 C ATOM 376 CD2 TYR A 24 90.498 -4.336 6.502 1.00 0.00 C ATOM 377 CE1 TYR A 24 92.009 -2.253 5.399 1.00 0.00 C ATOM 378 CE2 TYR A 24 91.036 -4.466 5.216 1.00 0.00 C ATOM 379 CZ TYR A 24 91.792 -3.424 4.664 1.00 0.00 C ATOM 380 OH TYR A 24 92.322 -3.553 3.397 1.00 0.00 O ATOM 0 H TYR A 24 92.220 -4.036 9.277 1.00 0.00 H new ATOM 0 HA TYR A 24 91.295 -1.247 9.111 1.00 0.00 H new ATOM 0 HB2 TYR A 24 89.953 -4.015 9.052 1.00 0.00 H new ATOM 0 HB3 TYR A 24 89.168 -2.522 8.576 1.00 0.00 H new ATOM 0 HD1 TYR A 24 91.638 -1.218 7.251 1.00 0.00 H new ATOM 0 HD2 TYR A 24 89.915 -5.139 6.927 1.00 0.00 H new ATOM 0 HE1 TYR A 24 92.592 -1.449 4.974 1.00 0.00 H new ATOM 0 HE2 TYR A 24 90.868 -5.370 4.649 1.00 0.00 H new ATOM 0 HH TYR A 24 92.078 -4.427 3.028 1.00 0.00 H new ATOM 390 N VAL A 25 90.563 -3.046 11.742 1.00 0.00 N ATOM 391 CA VAL A 25 89.998 -2.918 13.116 1.00 0.00 C ATOM 392 C VAL A 25 90.883 -2.003 13.966 1.00 0.00 C ATOM 393 O VAL A 25 90.439 -1.415 14.931 1.00 0.00 O ATOM 394 CB VAL A 25 90.002 -4.337 13.681 1.00 0.00 C ATOM 395 CG1 VAL A 25 89.570 -4.303 15.148 1.00 0.00 C ATOM 396 CG2 VAL A 25 89.026 -5.205 12.884 1.00 0.00 C ATOM 0 H VAL A 25 90.988 -3.949 11.530 1.00 0.00 H new ATOM 0 HA VAL A 25 88.998 -2.484 13.112 1.00 0.00 H new ATOM 0 HB VAL A 25 91.006 -4.755 13.607 1.00 0.00 H new ATOM 0 HG11 VAL A 25 89.573 -5.316 15.552 1.00 0.00 H new ATOM 0 HG12 VAL A 25 90.263 -3.684 15.717 1.00 0.00 H new ATOM 0 HG13 VAL A 25 88.566 -3.886 15.222 1.00 0.00 H new ATOM 0 HG21 VAL A 25 89.028 -6.218 13.286 1.00 0.00 H new ATOM 0 HG22 VAL A 25 88.022 -4.787 12.959 1.00 0.00 H new ATOM 0 HG23 VAL A 25 89.332 -5.229 11.838 1.00 0.00 H new ATOM 406 N ASN A 26 92.134 -1.879 13.614 1.00 0.00 N ATOM 407 CA ASN A 26 93.046 -1.001 14.401 1.00 0.00 C ATOM 408 C ASN A 26 92.588 0.455 14.307 1.00 0.00 C ATOM 409 O ASN A 26 92.217 1.064 15.291 1.00 0.00 O ATOM 410 CB ASN A 26 94.421 -1.176 13.754 1.00 0.00 C ATOM 411 CG ASN A 26 95.389 -0.140 14.329 1.00 0.00 C ATOM 412 OD1 ASN A 26 95.577 0.984 13.694 1.00 0.00 O flip ATOM 413 ND2 ASN A 26 95.983 -0.357 15.367 1.00 0.00 N flip ATOM 0 H ASN A 26 92.564 -2.347 12.816 1.00 0.00 H new ATOM 0 HA ASN A 26 93.059 -1.261 15.459 1.00 0.00 H new ATOM 0 HB2 ASN A 26 94.796 -2.182 13.939 1.00 0.00 H new ATOM 0 HB3 ASN A 26 94.344 -1.058 12.673 1.00 0.00 H new ATOM 0 HD21 ASN A 26 95.837 -1.235 15.864 1.00 0.00 H new ATOM 0 HD22 ASN A 26 96.628 0.339 15.741 1.00 0.00 H new ATOM 420 N GLN A 27 92.612 1.019 13.130 1.00 0.00 N ATOM 421 CA GLN A 27 92.178 2.442 12.981 1.00 0.00 C ATOM 422 C GLN A 27 90.746 2.620 13.495 1.00 0.00 C ATOM 423 O GLN A 27 90.431 3.597 14.146 1.00 0.00 O ATOM 424 CB GLN A 27 92.259 2.751 11.481 1.00 0.00 C ATOM 425 CG GLN A 27 91.736 1.566 10.664 1.00 0.00 C ATOM 426 CD GLN A 27 92.868 1.013 9.796 1.00 0.00 C ATOM 427 OE1 GLN A 27 92.583 0.456 8.651 1.00 0.00 O flip ATOM 428 NE2 GLN A 27 94.024 1.090 10.162 1.00 0.00 N flip ATOM 0 H GLN A 27 92.911 0.561 12.269 1.00 0.00 H new ATOM 0 HA GLN A 27 92.808 3.117 13.559 1.00 0.00 H new ATOM 0 HB2 GLN A 27 91.675 3.643 11.255 1.00 0.00 H new ATOM 0 HB3 GLN A 27 93.291 2.966 11.203 1.00 0.00 H new ATOM 0 HG2 GLN A 27 91.359 0.789 11.329 1.00 0.00 H new ATOM 0 HG3 GLN A 27 90.902 1.881 10.037 1.00 0.00 H new ATOM 0 HE21 GLN A 27 94.248 1.525 11.057 1.00 0.00 H new ATOM 0 HE22 GLN A 27 94.771 0.719 9.574 1.00 0.00 H new ATOM 437 N PHE A 28 89.876 1.686 13.219 1.00 0.00 N ATOM 438 CA PHE A 28 88.471 1.812 13.705 1.00 0.00 C ATOM 439 C PHE A 28 88.447 1.750 15.233 1.00 0.00 C ATOM 440 O PHE A 28 87.551 2.265 15.871 1.00 0.00 O ATOM 441 CB PHE A 28 87.732 0.614 13.097 1.00 0.00 C ATOM 442 CG PHE A 28 86.366 0.464 13.731 1.00 0.00 C ATOM 443 CD1 PHE A 28 86.245 0.061 15.069 1.00 0.00 C ATOM 444 CD2 PHE A 28 85.217 0.717 12.974 1.00 0.00 C ATOM 445 CE1 PHE A 28 84.976 -0.087 15.644 1.00 0.00 C ATOM 446 CE2 PHE A 28 83.949 0.570 13.550 1.00 0.00 C ATOM 447 CZ PHE A 28 83.830 0.167 14.884 1.00 0.00 C ATOM 0 H PHE A 28 90.076 0.844 12.680 1.00 0.00 H new ATOM 0 HA PHE A 28 88.009 2.756 13.417 1.00 0.00 H new ATOM 0 HB2 PHE A 28 87.628 0.750 12.021 1.00 0.00 H new ATOM 0 HB3 PHE A 28 88.313 -0.296 13.249 1.00 0.00 H new ATOM 0 HD1 PHE A 28 87.130 -0.135 15.656 1.00 0.00 H new ATOM 0 HD2 PHE A 28 85.308 1.026 11.943 1.00 0.00 H new ATOM 0 HE1 PHE A 28 84.883 -0.397 16.674 1.00 0.00 H new ATOM 0 HE2 PHE A 28 83.063 0.768 12.964 1.00 0.00 H new ATOM 0 HZ PHE A 28 82.852 0.052 15.328 1.00 0.00 H new ATOM 457 N ARG A 29 89.426 1.121 15.825 1.00 0.00 N ATOM 458 CA ARG A 29 89.460 1.024 17.312 1.00 0.00 C ATOM 459 C ARG A 29 89.471 2.423 17.933 1.00 0.00 C ATOM 460 O ARG A 29 88.674 2.737 18.794 1.00 0.00 O ATOM 461 CB ARG A 29 90.757 0.281 17.633 1.00 0.00 C ATOM 462 CG ARG A 29 90.678 -0.297 19.046 1.00 0.00 C ATOM 463 CD ARG A 29 92.088 -0.433 19.623 1.00 0.00 C ATOM 464 NE ARG A 29 92.064 -1.704 20.400 1.00 0.00 N ATOM 465 CZ ARG A 29 92.501 -2.808 19.859 1.00 0.00 C ATOM 466 NH1 ARG A 29 93.726 -2.878 19.417 1.00 0.00 N ATOM 467 NH2 ARG A 29 91.712 -3.843 19.760 1.00 0.00 N ATOM 0 H ARG A 29 90.204 0.670 15.343 1.00 0.00 H new ATOM 0 HA ARG A 29 88.588 0.507 17.712 1.00 0.00 H new ATOM 0 HB2 ARG A 29 90.919 -0.519 16.910 1.00 0.00 H new ATOM 0 HB3 ARG A 29 91.606 0.959 17.553 1.00 0.00 H new ATOM 0 HG2 ARG A 29 90.075 0.351 19.682 1.00 0.00 H new ATOM 0 HG3 ARG A 29 90.187 -1.270 19.025 1.00 0.00 H new ATOM 0 HD2 ARG A 29 92.837 -0.468 18.832 1.00 0.00 H new ATOM 0 HD3 ARG A 29 92.337 0.415 20.261 1.00 0.00 H new ATOM 0 HE ARG A 29 91.706 -1.711 21.355 1.00 0.00 H new ATOM 0 HH11 ARG A 29 94.343 -2.069 19.494 1.00 0.00 H new ATOM 0 HH12 ARG A 29 94.067 -3.741 18.994 1.00 0.00 H new ATOM 0 HH21 ARG A 29 90.754 -3.789 20.106 1.00 0.00 H new ATOM 0 HH22 ARG A 29 92.054 -4.706 19.337 1.00 0.00 H new ATOM 481 N SER A 30 90.368 3.267 17.501 1.00 0.00 N ATOM 482 CA SER A 30 90.425 4.645 18.067 1.00 0.00 C ATOM 483 C SER A 30 89.075 5.343 17.881 1.00 0.00 C ATOM 484 O SER A 30 88.671 6.160 18.684 1.00 0.00 O ATOM 485 CB SER A 30 91.514 5.358 17.265 1.00 0.00 C ATOM 486 OG SER A 30 92.009 6.456 18.021 1.00 0.00 O ATOM 0 H SER A 30 91.062 3.063 16.782 1.00 0.00 H new ATOM 0 HA SER A 30 90.641 4.647 19.135 1.00 0.00 H new ATOM 0 HB2 SER A 30 92.324 4.666 17.034 1.00 0.00 H new ATOM 0 HB3 SER A 30 91.112 5.708 16.314 1.00 0.00 H new ATOM 0 HG SER A 30 92.709 6.915 17.511 1.00 0.00 H new ATOM 492 N LEU A 31 88.373 5.022 16.828 1.00 0.00 N ATOM 493 CA LEU A 31 87.048 5.659 16.588 1.00 0.00 C ATOM 494 C LEU A 31 85.977 4.986 17.450 1.00 0.00 C ATOM 495 O LEU A 31 84.950 5.564 17.746 1.00 0.00 O ATOM 496 CB LEU A 31 86.765 5.433 15.102 1.00 0.00 C ATOM 497 CG LEU A 31 87.934 5.967 14.274 1.00 0.00 C ATOM 498 CD1 LEU A 31 88.012 5.206 12.949 1.00 0.00 C ATOM 499 CD2 LEU A 31 87.719 7.456 13.993 1.00 0.00 C ATOM 0 H LEU A 31 88.661 4.344 16.122 1.00 0.00 H new ATOM 0 HA LEU A 31 87.043 6.718 16.846 1.00 0.00 H new ATOM 0 HB2 LEU A 31 86.622 4.370 14.906 1.00 0.00 H new ATOM 0 HB3 LEU A 31 85.842 5.937 14.816 1.00 0.00 H new ATOM 0 HG LEU A 31 88.863 5.830 14.827 1.00 0.00 H new ATOM 0 HD11 LEU A 31 88.846 5.587 12.359 1.00 0.00 H new ATOM 0 HD12 LEU A 31 88.163 4.145 13.147 1.00 0.00 H new ATOM 0 HD13 LEU A 31 87.083 5.343 12.395 1.00 0.00 H new ATOM 0 HD21 LEU A 31 88.552 7.839 13.403 1.00 0.00 H new ATOM 0 HD22 LEU A 31 86.790 7.591 13.440 1.00 0.00 H new ATOM 0 HD23 LEU A 31 87.663 8.000 14.936 1.00 0.00 H new ATOM 511 N GLN A 32 86.210 3.767 17.857 1.00 0.00 N ATOM 512 CA GLN A 32 85.212 3.057 18.701 1.00 0.00 C ATOM 513 C GLN A 32 85.860 2.604 20.014 1.00 0.00 C ATOM 514 O GLN A 32 86.828 1.870 20.005 1.00 0.00 O ATOM 515 CB GLN A 32 84.773 1.850 17.871 1.00 0.00 C ATOM 516 CG GLN A 32 83.306 2.014 17.466 1.00 0.00 C ATOM 517 CD GLN A 32 82.458 2.287 18.710 1.00 0.00 C ATOM 518 OE1 GLN A 32 82.620 1.546 19.771 1.00 0.00 O flip ATOM 519 NE2 GLN A 32 81.639 3.186 18.715 1.00 0.00 N flip ATOM 0 H GLN A 32 87.051 3.233 17.640 1.00 0.00 H new ATOM 0 HA GLN A 32 84.368 3.693 18.966 1.00 0.00 H new ATOM 0 HB2 GLN A 32 85.398 1.759 16.983 1.00 0.00 H new ATOM 0 HB3 GLN A 32 84.902 0.933 18.447 1.00 0.00 H new ATOM 0 HG2 GLN A 32 83.204 2.835 16.756 1.00 0.00 H new ATOM 0 HG3 GLN A 32 82.954 1.113 16.964 1.00 0.00 H new ATOM 0 HE21 GLN A 32 81.513 3.765 17.885 1.00 0.00 H new ATOM 0 HE22 GLN A 32 81.079 3.361 19.549 1.00 0.00 H new ATOM 528 N PRO A 33 85.302 3.060 21.103 1.00 0.00 N ATOM 529 CA PRO A 33 85.836 2.696 22.440 1.00 0.00 C ATOM 530 C PRO A 33 85.919 1.175 22.587 1.00 0.00 C ATOM 531 O PRO A 33 86.851 0.646 23.159 1.00 0.00 O ATOM 532 CB PRO A 33 84.819 3.284 23.416 1.00 0.00 C ATOM 533 CG PRO A 33 84.087 4.337 22.646 1.00 0.00 C ATOM 534 CD PRO A 33 84.137 3.944 21.194 1.00 0.00 C ATOM 0 HA PRO A 33 86.844 3.074 22.611 1.00 0.00 H new ATOM 0 HB2 PRO A 33 84.135 2.517 23.779 1.00 0.00 H new ATOM 0 HB3 PRO A 33 85.314 3.709 24.289 1.00 0.00 H new ATOM 0 HG2 PRO A 33 83.055 4.416 22.988 1.00 0.00 H new ATOM 0 HG3 PRO A 33 84.548 5.313 22.796 1.00 0.00 H new ATOM 0 HD2 PRO A 33 83.224 3.433 20.888 1.00 0.00 H new ATOM 0 HD3 PRO A 33 84.247 4.816 20.549 1.00 0.00 H new ATOM 542 N ASP A 34 84.950 0.472 22.075 1.00 0.00 N ATOM 543 CA ASP A 34 84.969 -1.014 22.183 1.00 0.00 C ATOM 544 C ASP A 34 85.754 -1.617 21.016 1.00 0.00 C ATOM 545 O ASP A 34 85.672 -1.142 19.900 1.00 0.00 O ATOM 546 CB ASP A 34 83.500 -1.434 22.119 1.00 0.00 C ATOM 547 CG ASP A 34 82.947 -1.571 23.538 1.00 0.00 C ATOM 548 OD1 ASP A 34 83.226 -0.703 24.349 1.00 0.00 O ATOM 549 OD2 ASP A 34 82.251 -2.542 23.791 1.00 0.00 O ATOM 0 H ASP A 34 84.144 0.861 21.586 1.00 0.00 H new ATOM 0 HA ASP A 34 85.450 -1.357 23.099 1.00 0.00 H new ATOM 0 HB2 ASP A 34 82.923 -0.695 21.562 1.00 0.00 H new ATOM 0 HB3 ASP A 34 83.404 -2.380 21.587 1.00 0.00 H new ATOM 554 N PRO A 35 86.494 -2.649 21.315 1.00 0.00 N ATOM 555 CA PRO A 35 87.308 -3.329 20.278 1.00 0.00 C ATOM 556 C PRO A 35 86.401 -3.981 19.231 1.00 0.00 C ATOM 557 O PRO A 35 86.792 -4.191 18.100 1.00 0.00 O ATOM 558 CB PRO A 35 88.090 -4.389 21.053 1.00 0.00 C ATOM 559 CG PRO A 35 87.354 -4.566 22.345 1.00 0.00 C ATOM 560 CD PRO A 35 86.641 -3.271 22.633 1.00 0.00 C ATOM 0 HA PRO A 35 87.960 -2.644 19.737 1.00 0.00 H new ATOM 0 HB2 PRO A 35 88.138 -5.326 20.497 1.00 0.00 H new ATOM 0 HB3 PRO A 35 89.117 -4.069 21.227 1.00 0.00 H new ATOM 0 HG2 PRO A 35 86.643 -5.389 22.273 1.00 0.00 H new ATOM 0 HG3 PRO A 35 88.045 -4.812 23.151 1.00 0.00 H new ATOM 0 HD2 PRO A 35 85.673 -3.444 23.103 1.00 0.00 H new ATOM 0 HD3 PRO A 35 87.216 -2.640 23.311 1.00 0.00 H new ATOM 568 N SER A 36 85.192 -4.305 19.600 1.00 0.00 N ATOM 569 CA SER A 36 84.261 -4.944 18.626 1.00 0.00 C ATOM 570 C SER A 36 82.875 -4.299 18.715 1.00 0.00 C ATOM 571 O SER A 36 81.956 -4.858 19.280 1.00 0.00 O ATOM 572 CB SER A 36 84.196 -6.411 19.045 1.00 0.00 C ATOM 573 OG SER A 36 83.549 -7.162 18.027 1.00 0.00 O ATOM 0 H SER A 36 84.808 -4.155 20.533 1.00 0.00 H new ATOM 0 HA SER A 36 84.599 -4.828 17.596 1.00 0.00 H new ATOM 0 HB2 SER A 36 85.201 -6.797 19.215 1.00 0.00 H new ATOM 0 HB3 SER A 36 83.654 -6.509 19.985 1.00 0.00 H new ATOM 0 HG SER A 36 83.507 -8.104 18.292 1.00 0.00 H new ATOM 579 N SER A 37 82.718 -3.128 18.160 1.00 0.00 N ATOM 580 CA SER A 37 81.391 -2.450 18.214 1.00 0.00 C ATOM 581 C SER A 37 81.112 -1.720 16.897 1.00 0.00 C ATOM 582 O SER A 37 81.895 -1.767 15.970 1.00 0.00 O ATOM 583 CB SER A 37 81.502 -1.452 19.365 1.00 0.00 C ATOM 584 OG SER A 37 80.198 -1.119 19.823 1.00 0.00 O ATOM 0 H SER A 37 83.450 -2.612 17.672 1.00 0.00 H new ATOM 0 HA SER A 37 80.575 -3.157 18.363 1.00 0.00 H new ATOM 0 HB2 SER A 37 82.088 -1.881 20.178 1.00 0.00 H new ATOM 0 HB3 SER A 37 82.025 -0.554 19.035 1.00 0.00 H new ATOM 0 HG SER A 37 80.264 -0.480 20.563 1.00 0.00 H new ATOM 590 N PHE A 38 80.002 -1.042 16.810 1.00 0.00 N ATOM 591 CA PHE A 38 79.670 -0.306 15.557 1.00 0.00 C ATOM 592 C PHE A 38 79.905 1.195 15.757 1.00 0.00 C ATOM 593 O PHE A 38 79.826 1.704 16.856 1.00 0.00 O ATOM 594 CB PHE A 38 78.186 -0.583 15.320 1.00 0.00 C ATOM 595 CG PHE A 38 77.367 0.117 16.377 1.00 0.00 C ATOM 596 CD1 PHE A 38 77.013 1.461 16.211 1.00 0.00 C ATOM 597 CD2 PHE A 38 76.961 -0.577 17.524 1.00 0.00 C ATOM 598 CE1 PHE A 38 76.253 2.111 17.191 1.00 0.00 C ATOM 599 CE2 PHE A 38 76.201 0.073 18.502 1.00 0.00 C ATOM 600 CZ PHE A 38 75.847 1.417 18.336 1.00 0.00 C ATOM 0 H PHE A 38 79.308 -0.965 17.554 1.00 0.00 H new ATOM 0 HA PHE A 38 80.285 -0.621 14.714 1.00 0.00 H new ATOM 0 HB2 PHE A 38 77.894 -0.235 14.329 1.00 0.00 H new ATOM 0 HB3 PHE A 38 77.996 -1.656 15.350 1.00 0.00 H new ATOM 0 HD1 PHE A 38 77.326 1.997 15.327 1.00 0.00 H new ATOM 0 HD2 PHE A 38 77.235 -1.614 17.653 1.00 0.00 H new ATOM 0 HE1 PHE A 38 75.980 3.148 17.063 1.00 0.00 H new ATOM 0 HE2 PHE A 38 75.887 -0.463 19.386 1.00 0.00 H new ATOM 0 HZ PHE A 38 75.260 1.918 19.092 1.00 0.00 H new ATOM 610 N ILE A 39 80.190 1.907 14.701 1.00 0.00 N ATOM 611 CA ILE A 39 80.423 3.375 14.832 1.00 0.00 C ATOM 612 C ILE A 39 79.127 4.136 14.538 1.00 0.00 C ATOM 613 O ILE A 39 78.281 3.675 13.798 1.00 0.00 O ATOM 614 CB ILE A 39 81.492 3.696 13.784 1.00 0.00 C ATOM 615 CG1 ILE A 39 82.866 3.283 14.316 1.00 0.00 C ATOM 616 CG2 ILE A 39 81.494 5.197 13.490 1.00 0.00 C ATOM 617 CD1 ILE A 39 83.895 3.365 13.188 1.00 0.00 C ATOM 0 H ILE A 39 80.272 1.537 13.754 1.00 0.00 H new ATOM 0 HA ILE A 39 80.739 3.663 15.834 1.00 0.00 H new ATOM 0 HB ILE A 39 81.273 3.148 12.867 1.00 0.00 H new ATOM 0 HG12 ILE A 39 83.160 3.934 15.139 1.00 0.00 H new ATOM 0 HG13 ILE A 39 82.825 2.268 14.712 1.00 0.00 H new ATOM 0 HG21 ILE A 39 82.256 5.421 12.744 1.00 0.00 H new ATOM 0 HG22 ILE A 39 80.516 5.495 13.111 1.00 0.00 H new ATOM 0 HG23 ILE A 39 81.711 5.747 14.406 1.00 0.00 H new ATOM 0 HD11 ILE A 39 84.874 3.071 13.566 1.00 0.00 H new ATOM 0 HD12 ILE A 39 83.602 2.695 12.379 1.00 0.00 H new ATOM 0 HD13 ILE A 39 83.943 4.387 12.813 1.00 0.00 H new ATOM 629 N SER A 40 78.962 5.295 15.113 1.00 0.00 N ATOM 630 CA SER A 40 77.717 6.080 14.868 1.00 0.00 C ATOM 631 C SER A 40 77.606 6.458 13.389 1.00 0.00 C ATOM 632 O SER A 40 76.524 6.608 12.857 1.00 0.00 O ATOM 633 CB SER A 40 77.860 7.331 15.734 1.00 0.00 C ATOM 634 OG SER A 40 76.936 7.264 16.812 1.00 0.00 O ATOM 0 H SER A 40 79.635 5.733 15.742 1.00 0.00 H new ATOM 0 HA SER A 40 76.819 5.514 15.115 1.00 0.00 H new ATOM 0 HB2 SER A 40 78.878 7.408 16.117 1.00 0.00 H new ATOM 0 HB3 SER A 40 77.675 8.224 15.137 1.00 0.00 H new ATOM 0 HG SER A 40 77.026 8.064 17.370 1.00 0.00 H new ATOM 640 N GLY A 41 78.715 6.615 12.723 1.00 0.00 N ATOM 641 CA GLY A 41 78.672 6.983 11.280 1.00 0.00 C ATOM 642 C GLY A 41 79.598 8.173 11.024 1.00 0.00 C ATOM 643 O GLY A 41 80.730 8.014 10.615 1.00 0.00 O ATOM 0 H GLY A 41 79.650 6.504 13.115 1.00 0.00 H new ATOM 0 HA2 GLY A 41 78.978 6.134 10.669 1.00 0.00 H new ATOM 0 HA3 GLY A 41 77.652 7.234 10.989 1.00 0.00 H new ATOM 647 N SER A 42 79.124 9.367 11.258 1.00 0.00 N ATOM 648 CA SER A 42 79.975 10.570 11.024 1.00 0.00 C ATOM 649 C SER A 42 81.387 10.351 11.576 1.00 0.00 C ATOM 650 O SER A 42 82.340 10.955 11.124 1.00 0.00 O ATOM 651 CB SER A 42 79.276 11.700 11.779 1.00 0.00 C ATOM 652 OG SER A 42 78.201 12.196 10.993 1.00 0.00 O ATOM 0 H SER A 42 78.184 9.562 11.601 1.00 0.00 H new ATOM 0 HA SER A 42 80.086 10.790 9.962 1.00 0.00 H new ATOM 0 HB2 SER A 42 78.904 11.337 12.737 1.00 0.00 H new ATOM 0 HB3 SER A 42 79.983 12.501 11.995 1.00 0.00 H new ATOM 0 HG SER A 42 77.750 12.920 11.476 1.00 0.00 H new ATOM 658 N VAL A 43 81.532 9.496 12.552 1.00 0.00 N ATOM 659 CA VAL A 43 82.886 9.249 13.128 1.00 0.00 C ATOM 660 C VAL A 43 83.829 8.695 12.055 1.00 0.00 C ATOM 661 O VAL A 43 84.874 9.253 11.786 1.00 0.00 O ATOM 662 CB VAL A 43 82.664 8.218 14.236 1.00 0.00 C ATOM 663 CG1 VAL A 43 84.005 7.591 14.628 1.00 0.00 C ATOM 664 CG2 VAL A 43 82.052 8.907 15.457 1.00 0.00 C ATOM 0 H VAL A 43 80.775 8.959 12.975 1.00 0.00 H new ATOM 0 HA VAL A 43 83.345 10.162 13.508 1.00 0.00 H new ATOM 0 HB VAL A 43 81.989 7.441 13.877 1.00 0.00 H new ATOM 0 HG11 VAL A 43 83.846 6.856 15.418 1.00 0.00 H new ATOM 0 HG12 VAL A 43 84.445 7.101 13.760 1.00 0.00 H new ATOM 0 HG13 VAL A 43 84.679 8.369 14.986 1.00 0.00 H new ATOM 0 HG21 VAL A 43 81.893 8.173 16.247 1.00 0.00 H new ATOM 0 HG22 VAL A 43 82.728 9.684 15.814 1.00 0.00 H new ATOM 0 HG23 VAL A 43 81.098 9.356 15.181 1.00 0.00 H new ATOM 674 N ALA A 44 83.470 7.599 11.444 1.00 0.00 N ATOM 675 CA ALA A 44 84.349 7.010 10.393 1.00 0.00 C ATOM 676 C ALA A 44 84.303 7.858 9.121 1.00 0.00 C ATOM 677 O ALA A 44 85.283 7.990 8.420 1.00 0.00 O ATOM 678 CB ALA A 44 83.773 5.618 10.126 1.00 0.00 C ATOM 0 H ALA A 44 82.607 7.086 11.626 1.00 0.00 H new ATOM 0 HA ALA A 44 85.392 6.969 10.709 1.00 0.00 H new ATOM 0 HB1 ALA A 44 84.368 5.119 9.361 1.00 0.00 H new ATOM 0 HB2 ALA A 44 83.798 5.032 11.045 1.00 0.00 H new ATOM 0 HB3 ALA A 44 82.743 5.710 9.782 1.00 0.00 H new ATOM 684 N LYS A 45 83.173 8.435 8.819 1.00 0.00 N ATOM 685 CA LYS A 45 83.073 9.276 7.593 1.00 0.00 C ATOM 686 C LYS A 45 83.927 10.533 7.757 1.00 0.00 C ATOM 687 O LYS A 45 84.192 11.248 6.811 1.00 0.00 O ATOM 688 CB LYS A 45 81.594 9.643 7.485 1.00 0.00 C ATOM 689 CG LYS A 45 81.063 9.216 6.117 1.00 0.00 C ATOM 690 CD LYS A 45 79.692 9.850 5.876 1.00 0.00 C ATOM 691 CE LYS A 45 78.812 9.655 7.114 1.00 0.00 C ATOM 692 NZ LYS A 45 77.622 10.521 6.881 1.00 0.00 N ATOM 0 H LYS A 45 82.316 8.361 9.367 1.00 0.00 H new ATOM 0 HA LYS A 45 83.428 8.759 6.701 1.00 0.00 H new ATOM 0 HB2 LYS A 45 81.028 9.152 8.276 1.00 0.00 H new ATOM 0 HB3 LYS A 45 81.464 10.717 7.619 1.00 0.00 H new ATOM 0 HG2 LYS A 45 81.758 9.521 5.335 1.00 0.00 H new ATOM 0 HG3 LYS A 45 80.986 8.130 6.069 1.00 0.00 H new ATOM 0 HD2 LYS A 45 79.804 10.913 5.661 1.00 0.00 H new ATOM 0 HD3 LYS A 45 79.218 9.397 5.005 1.00 0.00 H new ATOM 0 HE2 LYS A 45 78.523 8.611 7.232 1.00 0.00 H new ATOM 0 HE3 LYS A 45 79.339 9.945 8.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 76.971 10.441 7.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 77.927 11.510 6.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 77.136 10.217 6.013 1.00 0.00 H new ATOM 706 N ASN A 46 84.355 10.803 8.957 1.00 0.00 N ATOM 707 CA ASN A 46 85.194 12.011 9.202 1.00 0.00 C ATOM 708 C ASN A 46 86.573 11.843 8.559 1.00 0.00 C ATOM 709 O ASN A 46 87.048 12.708 7.851 1.00 0.00 O ATOM 710 CB ASN A 46 85.319 12.094 10.722 1.00 0.00 C ATOM 711 CG ASN A 46 86.200 13.287 11.098 1.00 0.00 C ATOM 712 OD1 ASN A 46 86.371 14.201 10.316 1.00 0.00 O ATOM 713 ND2 ASN A 46 86.772 13.317 12.272 1.00 0.00 N ATOM 0 H ASN A 46 84.160 10.238 9.783 1.00 0.00 H new ATOM 0 HA ASN A 46 84.756 12.913 8.774 1.00 0.00 H new ATOM 0 HB2 ASN A 46 84.333 12.201 11.173 1.00 0.00 H new ATOM 0 HB3 ASN A 46 85.750 11.172 11.113 1.00 0.00 H new ATOM 0 HD21 ASN A 46 87.362 14.108 12.532 1.00 0.00 H new ATOM 0 HD22 ASN A 46 86.629 12.550 12.929 1.00 0.00 H new ATOM 720 N PHE A 47 87.223 10.739 8.808 1.00 0.00 N ATOM 721 CA PHE A 47 88.573 10.524 8.218 1.00 0.00 C ATOM 722 C PHE A 47 88.463 9.756 6.891 1.00 0.00 C ATOM 723 O PHE A 47 89.370 9.763 6.084 1.00 0.00 O ATOM 724 CB PHE A 47 89.341 9.725 9.284 1.00 0.00 C ATOM 725 CG PHE A 47 89.201 8.241 9.044 1.00 0.00 C ATOM 726 CD1 PHE A 47 90.122 7.575 8.229 1.00 0.00 C ATOM 727 CD2 PHE A 47 88.151 7.535 9.640 1.00 0.00 C ATOM 728 CE1 PHE A 47 89.993 6.199 8.008 1.00 0.00 C ATOM 729 CE2 PHE A 47 88.022 6.161 9.420 1.00 0.00 C ATOM 730 CZ PHE A 47 88.943 5.492 8.604 1.00 0.00 C ATOM 0 H PHE A 47 86.878 9.978 9.393 1.00 0.00 H new ATOM 0 HA PHE A 47 89.083 11.456 7.977 1.00 0.00 H new ATOM 0 HB2 PHE A 47 90.395 10.003 9.265 1.00 0.00 H new ATOM 0 HB3 PHE A 47 88.963 9.975 10.275 1.00 0.00 H new ATOM 0 HD1 PHE A 47 90.932 8.122 7.770 1.00 0.00 H new ATOM 0 HD2 PHE A 47 87.441 8.051 10.269 1.00 0.00 H new ATOM 0 HE1 PHE A 47 90.703 5.684 7.378 1.00 0.00 H new ATOM 0 HE2 PHE A 47 87.212 5.615 9.879 1.00 0.00 H new ATOM 0 HZ PHE A 47 88.843 4.430 8.435 1.00 0.00 H new ATOM 740 N PHE A 48 87.359 9.099 6.662 1.00 0.00 N ATOM 741 CA PHE A 48 87.189 8.335 5.391 1.00 0.00 C ATOM 742 C PHE A 48 87.571 9.204 4.189 1.00 0.00 C ATOM 743 O PHE A 48 87.895 8.705 3.130 1.00 0.00 O ATOM 744 CB PHE A 48 85.701 7.980 5.342 1.00 0.00 C ATOM 745 CG PHE A 48 85.488 6.616 5.954 1.00 0.00 C ATOM 746 CD1 PHE A 48 86.376 6.141 6.924 1.00 0.00 C ATOM 747 CD2 PHE A 48 84.404 5.826 5.550 1.00 0.00 C ATOM 748 CE1 PHE A 48 86.183 4.877 7.491 1.00 0.00 C ATOM 749 CE2 PHE A 48 84.212 4.561 6.118 1.00 0.00 C ATOM 750 CZ PHE A 48 85.102 4.087 7.088 1.00 0.00 C ATOM 0 H PHE A 48 86.565 9.058 7.301 1.00 0.00 H new ATOM 0 HA PHE A 48 87.825 7.450 5.355 1.00 0.00 H new ATOM 0 HB2 PHE A 48 85.120 8.727 5.882 1.00 0.00 H new ATOM 0 HB3 PHE A 48 85.348 7.987 4.311 1.00 0.00 H new ATOM 0 HD1 PHE A 48 87.211 6.750 7.236 1.00 0.00 H new ATOM 0 HD2 PHE A 48 83.717 6.192 4.801 1.00 0.00 H new ATOM 0 HE1 PHE A 48 86.869 4.511 8.240 1.00 0.00 H new ATOM 0 HE2 PHE A 48 83.377 3.951 5.807 1.00 0.00 H new ATOM 0 HZ PHE A 48 84.954 3.111 7.526 1.00 0.00 H new ATOM 760 N THR A 49 87.526 10.499 4.343 1.00 0.00 N ATOM 761 CA THR A 49 87.879 11.401 3.206 1.00 0.00 C ATOM 762 C THR A 49 89.105 10.868 2.456 1.00 0.00 C ATOM 763 O THR A 49 89.212 10.999 1.253 1.00 0.00 O ATOM 764 CB THR A 49 88.192 12.751 3.854 1.00 0.00 C ATOM 765 OG1 THR A 49 88.853 13.584 2.910 1.00 0.00 O ATOM 766 CG2 THR A 49 89.095 12.542 5.072 1.00 0.00 C ATOM 0 H THR A 49 87.260 10.973 5.206 1.00 0.00 H new ATOM 0 HA THR A 49 87.073 11.474 2.476 1.00 0.00 H new ATOM 0 HB THR A 49 87.263 13.224 4.173 1.00 0.00 H new ATOM 0 HG1 THR A 49 89.053 14.450 3.322 1.00 0.00 H new ATOM 0 HG21 THR A 49 89.316 13.506 5.531 1.00 0.00 H new ATOM 0 HG22 THR A 49 88.588 11.903 5.795 1.00 0.00 H new ATOM 0 HG23 THR A 49 90.025 12.068 4.758 1.00 0.00 H new ATOM 774 N LYS A 50 90.030 10.269 3.154 1.00 0.00 N ATOM 775 CA LYS A 50 91.245 9.731 2.477 1.00 0.00 C ATOM 776 C LYS A 50 90.880 8.522 1.612 1.00 0.00 C ATOM 777 O LYS A 50 90.925 7.392 2.057 1.00 0.00 O ATOM 778 CB LYS A 50 92.180 9.315 3.613 1.00 0.00 C ATOM 779 CG LYS A 50 92.384 10.494 4.565 1.00 0.00 C ATOM 780 CD LYS A 50 93.765 10.392 5.217 1.00 0.00 C ATOM 781 CE LYS A 50 93.687 9.471 6.438 1.00 0.00 C ATOM 782 NZ LYS A 50 93.005 10.280 7.487 1.00 0.00 N ATOM 0 H LYS A 50 89.998 10.128 4.164 1.00 0.00 H new ATOM 0 HA LYS A 50 91.707 10.464 1.816 1.00 0.00 H new ATOM 0 HB2 LYS A 50 91.758 8.467 4.153 1.00 0.00 H new ATOM 0 HB3 LYS A 50 93.139 8.991 3.208 1.00 0.00 H new ATOM 0 HG2 LYS A 50 92.296 11.434 4.020 1.00 0.00 H new ATOM 0 HG3 LYS A 50 91.608 10.495 5.331 1.00 0.00 H new ATOM 0 HD2 LYS A 50 94.489 10.003 4.501 1.00 0.00 H new ATOM 0 HD3 LYS A 50 94.112 11.381 5.516 1.00 0.00 H new ATOM 0 HE2 LYS A 50 93.127 8.563 6.213 1.00 0.00 H new ATOM 0 HE3 LYS A 50 94.680 9.160 6.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 93.589 10.296 8.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 92.869 11.252 7.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 92.080 9.857 7.705 1.00 0.00 H new ATOM 796 N SER A 51 90.519 8.750 0.378 1.00 0.00 N ATOM 797 CA SER A 51 90.152 7.612 -0.513 1.00 0.00 C ATOM 798 C SER A 51 90.540 7.929 -1.960 1.00 0.00 C ATOM 799 O SER A 51 91.468 7.362 -2.502 1.00 0.00 O ATOM 800 CB SER A 51 88.636 7.478 -0.380 1.00 0.00 C ATOM 801 OG SER A 51 88.151 6.601 -1.389 1.00 0.00 O ATOM 0 H SER A 51 90.462 9.674 -0.051 1.00 0.00 H new ATOM 0 HA SER A 51 90.667 6.690 -0.241 1.00 0.00 H new ATOM 0 HB2 SER A 51 88.379 7.093 0.607 1.00 0.00 H new ATOM 0 HB3 SER A 51 88.163 8.456 -0.474 1.00 0.00 H new ATOM 0 HG SER A 51 88.690 5.782 -1.398 1.00 0.00 H new ATOM 807 N LYS A 52 89.838 8.831 -2.590 1.00 0.00 N ATOM 808 CA LYS A 52 90.165 9.183 -3.996 1.00 0.00 C ATOM 809 C LYS A 52 91.165 10.348 -4.019 1.00 0.00 C ATOM 810 O LYS A 52 91.797 10.615 -5.022 1.00 0.00 O ATOM 811 CB LYS A 52 88.814 9.576 -4.615 1.00 0.00 C ATOM 812 CG LYS A 52 88.996 10.713 -5.626 1.00 0.00 C ATOM 813 CD LYS A 52 87.637 11.098 -6.215 1.00 0.00 C ATOM 814 CE LYS A 52 87.272 10.124 -7.338 1.00 0.00 C ATOM 815 NZ LYS A 52 87.773 10.770 -8.584 1.00 0.00 N ATOM 0 H LYS A 52 89.050 9.339 -2.188 1.00 0.00 H new ATOM 0 HA LYS A 52 90.634 8.369 -4.549 1.00 0.00 H new ATOM 0 HB2 LYS A 52 88.368 8.712 -5.107 1.00 0.00 H new ATOM 0 HB3 LYS A 52 88.124 9.887 -3.830 1.00 0.00 H new ATOM 0 HG2 LYS A 52 89.451 11.576 -5.140 1.00 0.00 H new ATOM 0 HG3 LYS A 52 89.673 10.401 -6.421 1.00 0.00 H new ATOM 0 HD2 LYS A 52 86.873 11.076 -5.438 1.00 0.00 H new ATOM 0 HD3 LYS A 52 87.671 12.117 -6.600 1.00 0.00 H new ATOM 0 HE2 LYS A 52 87.737 9.150 -7.183 1.00 0.00 H new ATOM 0 HE3 LYS A 52 86.195 9.959 -7.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 87.560 10.162 -9.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 87.308 11.692 -8.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 88.801 10.908 -8.514 1.00 0.00 H new ATOM 829 N LEU A 53 91.310 11.040 -2.922 1.00 0.00 N ATOM 830 CA LEU A 53 92.266 12.184 -2.883 1.00 0.00 C ATOM 831 C LEU A 53 92.015 13.122 -4.068 1.00 0.00 C ATOM 832 O LEU A 53 92.935 13.644 -4.666 1.00 0.00 O ATOM 833 CB LEU A 53 93.651 11.547 -2.987 1.00 0.00 C ATOM 834 CG LEU A 53 94.027 10.918 -1.644 1.00 0.00 C ATOM 835 CD1 LEU A 53 94.311 9.427 -1.838 1.00 0.00 C ATOM 836 CD2 LEU A 53 95.277 11.606 -1.092 1.00 0.00 C ATOM 0 H LEU A 53 90.809 10.863 -2.052 1.00 0.00 H new ATOM 0 HA LEU A 53 92.160 12.781 -1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 53 93.656 10.788 -3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 53 94.388 12.299 -3.267 1.00 0.00 H new ATOM 0 HG LEU A 53 93.202 11.042 -0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 53 94.579 8.980 -0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 53 93.421 8.935 -2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 53 95.135 9.302 -2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 53 95.546 11.159 -0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 53 96.101 11.482 -1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 53 95.076 12.668 -0.952 1.00 0.00 H new ATOM 848 N SER A 54 90.774 13.339 -4.412 1.00 0.00 N ATOM 849 CA SER A 54 90.465 14.241 -5.556 1.00 0.00 C ATOM 850 C SER A 54 89.006 14.701 -5.484 1.00 0.00 C ATOM 851 O SER A 54 88.458 14.888 -4.416 1.00 0.00 O ATOM 852 CB SER A 54 90.700 13.391 -6.804 1.00 0.00 C ATOM 853 OG SER A 54 91.316 14.188 -7.806 1.00 0.00 O ATOM 0 H SER A 54 89.962 12.930 -3.950 1.00 0.00 H new ATOM 0 HA SER A 54 91.082 15.140 -5.554 1.00 0.00 H new ATOM 0 HB2 SER A 54 91.333 12.537 -6.562 1.00 0.00 H new ATOM 0 HB3 SER A 54 89.754 12.993 -7.170 1.00 0.00 H new ATOM 0 HG SER A 54 91.470 13.645 -8.607 1.00 0.00 H new ATOM 859 N ILE A 55 88.373 14.882 -6.610 1.00 0.00 N ATOM 860 CA ILE A 55 86.950 15.327 -6.600 1.00 0.00 C ATOM 861 C ILE A 55 86.166 14.554 -5.536 1.00 0.00 C ATOM 862 O ILE A 55 86.394 13.378 -5.330 1.00 0.00 O ATOM 863 CB ILE A 55 86.424 15.002 -7.998 1.00 0.00 C ATOM 864 CG1 ILE A 55 87.277 15.724 -9.043 1.00 0.00 C ATOM 865 CG2 ILE A 55 84.972 15.470 -8.118 1.00 0.00 C ATOM 866 CD1 ILE A 55 87.921 14.695 -9.975 1.00 0.00 C ATOM 0 H ILE A 55 88.778 14.741 -7.535 1.00 0.00 H new ATOM 0 HA ILE A 55 86.848 16.386 -6.364 1.00 0.00 H new ATOM 0 HB ILE A 55 86.475 13.926 -8.164 1.00 0.00 H new ATOM 0 HG12 ILE A 55 86.660 16.415 -9.617 1.00 0.00 H new ATOM 0 HG13 ILE A 55 88.048 16.318 -8.552 1.00 0.00 H new ATOM 0 HG21 ILE A 55 84.596 15.239 -9.115 1.00 0.00 H new ATOM 0 HG22 ILE A 55 84.362 14.959 -7.373 1.00 0.00 H new ATOM 0 HG23 ILE A 55 84.922 16.546 -7.952 1.00 0.00 H new ATOM 0 HD11 ILE A 55 88.529 15.209 -10.720 1.00 0.00 H new ATOM 0 HD12 ILE A 55 88.551 14.022 -9.394 1.00 0.00 H new ATOM 0 HD13 ILE A 55 87.142 14.120 -10.476 1.00 0.00 H new ATOM 878 N PRO A 56 85.264 15.245 -4.895 1.00 0.00 N ATOM 879 CA PRO A 56 84.436 14.616 -3.838 1.00 0.00 C ATOM 880 C PRO A 56 83.610 13.468 -4.425 1.00 0.00 C ATOM 881 O PRO A 56 82.615 13.681 -5.089 1.00 0.00 O ATOM 882 CB PRO A 56 83.525 15.744 -3.348 1.00 0.00 C ATOM 883 CG PRO A 56 83.625 16.829 -4.377 1.00 0.00 C ATOM 884 CD PRO A 56 84.938 16.659 -5.091 1.00 0.00 C ATOM 0 HA PRO A 56 85.034 14.189 -3.033 1.00 0.00 H new ATOM 0 HB2 PRO A 56 82.497 15.398 -3.244 1.00 0.00 H new ATOM 0 HB3 PRO A 56 83.841 16.104 -2.369 1.00 0.00 H new ATOM 0 HG2 PRO A 56 82.795 16.767 -5.081 1.00 0.00 H new ATOM 0 HG3 PRO A 56 83.570 17.810 -3.905 1.00 0.00 H new ATOM 0 HD2 PRO A 56 84.853 16.906 -6.149 1.00 0.00 H new ATOM 0 HD3 PRO A 56 85.707 17.308 -4.673 1.00 0.00 H new ATOM 892 N GLU A 57 84.016 12.251 -4.184 1.00 0.00 N ATOM 893 CA GLU A 57 83.256 11.090 -4.728 1.00 0.00 C ATOM 894 C GLU A 57 83.191 9.967 -3.691 1.00 0.00 C ATOM 895 O GLU A 57 83.230 8.799 -4.023 1.00 0.00 O ATOM 896 CB GLU A 57 84.045 10.638 -5.957 1.00 0.00 C ATOM 897 CG GLU A 57 83.073 10.210 -7.058 1.00 0.00 C ATOM 898 CD GLU A 57 82.540 11.450 -7.777 1.00 0.00 C ATOM 899 OE1 GLU A 57 82.406 12.475 -7.130 1.00 0.00 O ATOM 900 OE2 GLU A 57 82.273 11.353 -8.963 1.00 0.00 O ATOM 0 H GLU A 57 84.841 12.011 -3.634 1.00 0.00 H new ATOM 0 HA GLU A 57 82.228 11.352 -4.978 1.00 0.00 H new ATOM 0 HB2 GLU A 57 84.680 11.449 -6.313 1.00 0.00 H new ATOM 0 HB3 GLU A 57 84.703 9.809 -5.695 1.00 0.00 H new ATOM 0 HG2 GLU A 57 83.577 9.553 -7.767 1.00 0.00 H new ATOM 0 HG3 GLU A 57 82.247 9.642 -6.629 1.00 0.00 H new ATOM 907 N LEU A 58 83.092 10.310 -2.435 1.00 0.00 N ATOM 908 CA LEU A 58 83.022 9.259 -1.381 1.00 0.00 C ATOM 909 C LEU A 58 81.562 8.937 -1.054 1.00 0.00 C ATOM 910 O LEU A 58 81.266 8.239 -0.104 1.00 0.00 O ATOM 911 CB LEU A 58 83.724 9.869 -0.166 1.00 0.00 C ATOM 912 CG LEU A 58 85.239 9.729 -0.325 1.00 0.00 C ATOM 913 CD1 LEU A 58 85.918 11.041 0.066 1.00 0.00 C ATOM 914 CD2 LEU A 58 85.744 8.605 0.584 1.00 0.00 C ATOM 0 H LEU A 58 83.057 11.271 -2.094 1.00 0.00 H new ATOM 0 HA LEU A 58 83.490 8.326 -1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 58 83.454 10.920 -0.067 1.00 0.00 H new ATOM 0 HB3 LEU A 58 83.396 9.369 0.745 1.00 0.00 H new ATOM 0 HG LEU A 58 85.474 9.494 -1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 58 86.997 10.940 -0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 58 85.559 11.843 -0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 58 85.683 11.277 1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 58 86.823 8.504 0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 58 85.507 8.842 1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 58 85.261 7.668 0.307 1.00 0.00 H new ATOM 926 N SER A 59 80.646 9.438 -1.838 1.00 0.00 N ATOM 927 CA SER A 59 79.204 9.161 -1.576 1.00 0.00 C ATOM 928 C SER A 59 78.873 7.710 -1.930 1.00 0.00 C ATOM 929 O SER A 59 78.018 7.094 -1.324 1.00 0.00 O ATOM 930 CB SER A 59 78.444 10.123 -2.487 1.00 0.00 C ATOM 931 OG SER A 59 78.402 11.410 -1.884 1.00 0.00 O ATOM 0 H SER A 59 80.834 10.027 -2.649 1.00 0.00 H new ATOM 0 HA SER A 59 78.940 9.300 -0.528 1.00 0.00 H new ATOM 0 HB2 SER A 59 78.931 10.181 -3.460 1.00 0.00 H new ATOM 0 HB3 SER A 59 77.432 9.756 -2.658 1.00 0.00 H new ATOM 0 HG SER A 59 77.916 12.029 -2.468 1.00 0.00 H new ATOM 937 N TYR A 60 79.541 7.155 -2.906 1.00 0.00 N ATOM 938 CA TYR A 60 79.257 5.743 -3.286 1.00 0.00 C ATOM 939 C TYR A 60 79.941 4.790 -2.301 1.00 0.00 C ATOM 940 O TYR A 60 79.480 3.691 -2.064 1.00 0.00 O ATOM 941 CB TYR A 60 79.817 5.584 -4.705 1.00 0.00 C ATOM 942 CG TYR A 60 81.310 5.344 -4.662 1.00 0.00 C ATOM 943 CD1 TYR A 60 82.194 6.428 -4.700 1.00 0.00 C ATOM 944 CD2 TYR A 60 81.806 4.037 -4.594 1.00 0.00 C ATOM 945 CE1 TYR A 60 83.576 6.205 -4.670 1.00 0.00 C ATOM 946 CE2 TYR A 60 83.188 3.814 -4.563 1.00 0.00 C ATOM 947 CZ TYR A 60 84.073 4.898 -4.601 1.00 0.00 C ATOM 948 OH TYR A 60 85.435 4.677 -4.572 1.00 0.00 O ATOM 0 H TYR A 60 80.267 7.617 -3.453 1.00 0.00 H new ATOM 0 HA TYR A 60 78.193 5.507 -3.257 1.00 0.00 H new ATOM 0 HB2 TYR A 60 79.323 4.751 -5.206 1.00 0.00 H new ATOM 0 HB3 TYR A 60 79.603 6.479 -5.289 1.00 0.00 H new ATOM 0 HD1 TYR A 60 81.810 7.436 -4.752 1.00 0.00 H new ATOM 0 HD2 TYR A 60 81.123 3.201 -4.565 1.00 0.00 H new ATOM 0 HE1 TYR A 60 84.259 7.041 -4.700 1.00 0.00 H new ATOM 0 HE2 TYR A 60 83.571 2.806 -4.510 1.00 0.00 H new ATOM 0 HH TYR A 60 85.826 5.145 -3.805 1.00 0.00 H new ATOM 958 N ILE A 61 81.028 5.209 -1.711 1.00 0.00 N ATOM 959 CA ILE A 61 81.725 4.332 -0.728 1.00 0.00 C ATOM 960 C ILE A 61 80.856 4.175 0.518 1.00 0.00 C ATOM 961 O ILE A 61 80.689 3.094 1.045 1.00 0.00 O ATOM 962 CB ILE A 61 83.020 5.065 -0.381 1.00 0.00 C ATOM 963 CG1 ILE A 61 83.970 5.012 -1.576 1.00 0.00 C ATOM 964 CG2 ILE A 61 83.679 4.392 0.825 1.00 0.00 C ATOM 965 CD1 ILE A 61 84.278 3.553 -1.918 1.00 0.00 C ATOM 0 H ILE A 61 81.462 6.119 -1.867 1.00 0.00 H new ATOM 0 HA ILE A 61 81.920 3.335 -1.124 1.00 0.00 H new ATOM 0 HB ILE A 61 82.797 6.104 -0.140 1.00 0.00 H new ATOM 0 HG12 ILE A 61 83.520 5.511 -2.434 1.00 0.00 H new ATOM 0 HG13 ILE A 61 84.892 5.545 -1.345 1.00 0.00 H new ATOM 0 HG21 ILE A 61 84.603 4.914 1.073 1.00 0.00 H new ATOM 0 HG22 ILE A 61 83.001 4.429 1.678 1.00 0.00 H new ATOM 0 HG23 ILE A 61 83.903 3.353 0.584 1.00 0.00 H new ATOM 0 HD11 ILE A 61 84.956 3.514 -2.771 1.00 0.00 H new ATOM 0 HD12 ILE A 61 84.746 3.069 -1.060 1.00 0.00 H new ATOM 0 HD13 ILE A 61 83.352 3.034 -2.167 1.00 0.00 H new ATOM 977 N TRP A 62 80.299 5.255 0.988 1.00 0.00 N ATOM 978 CA TRP A 62 79.434 5.188 2.198 1.00 0.00 C ATOM 979 C TRP A 62 78.081 4.572 1.837 1.00 0.00 C ATOM 980 O TRP A 62 77.539 3.768 2.568 1.00 0.00 O ATOM 981 CB TRP A 62 79.271 6.643 2.638 1.00 0.00 C ATOM 982 CG TRP A 62 78.255 6.728 3.729 1.00 0.00 C ATOM 983 CD1 TRP A 62 76.949 7.024 3.550 1.00 0.00 C ATOM 984 CD2 TRP A 62 78.440 6.524 5.160 1.00 0.00 C ATOM 985 NE1 TRP A 62 76.316 7.011 4.780 1.00 0.00 N ATOM 986 CE2 TRP A 62 77.194 6.709 5.804 1.00 0.00 C ATOM 987 CE3 TRP A 62 79.555 6.200 5.953 1.00 0.00 C ATOM 988 CZ2 TRP A 62 77.059 6.577 7.187 1.00 0.00 C ATOM 989 CZ3 TRP A 62 79.424 6.066 7.344 1.00 0.00 C ATOM 990 CH2 TRP A 62 78.178 6.254 7.959 1.00 0.00 C ATOM 0 H TRP A 62 80.406 6.186 0.584 1.00 0.00 H new ATOM 0 HA TRP A 62 79.860 4.571 2.989 1.00 0.00 H new ATOM 0 HB2 TRP A 62 80.226 7.037 2.986 1.00 0.00 H new ATOM 0 HB3 TRP A 62 78.962 7.257 1.792 1.00 0.00 H new ATOM 0 HD1 TRP A 62 76.477 7.236 2.602 1.00 0.00 H new ATOM 0 HE1 TRP A 62 75.323 7.201 4.915 1.00 0.00 H new ATOM 0 HE3 TRP A 62 80.519 6.053 5.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 76.097 6.723 7.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 80.287 5.817 7.944 1.00 0.00 H new ATOM 0 HH2 TRP A 62 78.083 6.149 9.030 1.00 0.00 H new ATOM 1001 N GLU A 63 77.537 4.934 0.706 1.00 0.00 N ATOM 1002 CA GLU A 63 76.225 4.358 0.295 1.00 0.00 C ATOM 1003 C GLU A 63 76.318 2.831 0.272 1.00 0.00 C ATOM 1004 O GLU A 63 75.339 2.134 0.453 1.00 0.00 O ATOM 1005 CB GLU A 63 75.974 4.902 -1.112 1.00 0.00 C ATOM 1006 CG GLU A 63 74.493 4.751 -1.462 1.00 0.00 C ATOM 1007 CD GLU A 63 74.211 5.437 -2.800 1.00 0.00 C ATOM 1008 OE1 GLU A 63 74.851 5.075 -3.775 1.00 0.00 O ATOM 1009 OE2 GLU A 63 73.362 6.312 -2.827 1.00 0.00 O ATOM 0 H GLU A 63 77.943 5.602 0.051 1.00 0.00 H new ATOM 0 HA GLU A 63 75.419 4.624 0.979 1.00 0.00 H new ATOM 0 HB2 GLU A 63 76.266 5.951 -1.165 1.00 0.00 H new ATOM 0 HB3 GLU A 63 76.586 4.364 -1.836 1.00 0.00 H new ATOM 0 HG2 GLU A 63 74.228 3.695 -1.520 1.00 0.00 H new ATOM 0 HG3 GLU A 63 73.877 5.192 -0.678 1.00 0.00 H new ATOM 1016 N LEU A 64 77.494 2.308 0.053 1.00 0.00 N ATOM 1017 CA LEU A 64 77.662 0.829 0.020 1.00 0.00 C ATOM 1018 C LEU A 64 78.173 0.328 1.373 1.00 0.00 C ATOM 1019 O LEU A 64 77.985 -0.817 1.733 1.00 0.00 O ATOM 1020 CB LEU A 64 78.700 0.572 -1.073 1.00 0.00 C ATOM 1021 CG LEU A 64 78.211 1.169 -2.393 1.00 0.00 C ATOM 1022 CD1 LEU A 64 79.371 1.224 -3.390 1.00 0.00 C ATOM 1023 CD2 LEU A 64 77.091 0.297 -2.963 1.00 0.00 C ATOM 0 H LEU A 64 78.347 2.844 -0.105 1.00 0.00 H new ATOM 0 HA LEU A 64 76.724 0.310 -0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 64 79.656 1.016 -0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 64 78.867 -0.499 -1.186 1.00 0.00 H new ATOM 0 HG LEU A 64 77.834 2.177 -2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 64 79.022 1.650 -4.331 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.170 1.845 -2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 64 79.748 0.216 -3.565 1.00 0.00 H new ATOM 0 HD21 LEU A 64 76.742 0.722 -3.904 1.00 0.00 H new ATOM 0 HD22 LEU A 64 77.468 -0.711 -3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 64 76.264 0.257 -2.254 1.00 0.00 H new ATOM 1035 N SER A 65 78.818 1.177 2.127 1.00 0.00 N ATOM 1036 CA SER A 65 79.337 0.745 3.456 1.00 0.00 C ATOM 1037 C SER A 65 78.174 0.506 4.422 1.00 0.00 C ATOM 1038 O SER A 65 78.257 -0.308 5.321 1.00 0.00 O ATOM 1039 CB SER A 65 80.211 1.902 3.939 1.00 0.00 C ATOM 1040 OG SER A 65 81.546 1.700 3.493 1.00 0.00 O ATOM 0 H SER A 65 79.007 2.149 1.881 1.00 0.00 H new ATOM 0 HA SER A 65 79.898 -0.188 3.398 1.00 0.00 H new ATOM 0 HB2 SER A 65 79.827 2.848 3.557 1.00 0.00 H new ATOM 0 HB3 SER A 65 80.184 1.964 5.027 1.00 0.00 H new ATOM 0 HG SER A 65 81.652 2.080 2.596 1.00 0.00 H new ATOM 1046 N ASP A 66 77.090 1.210 4.242 1.00 0.00 N ATOM 1047 CA ASP A 66 75.919 1.022 5.147 1.00 0.00 C ATOM 1048 C ASP A 66 74.981 -0.045 4.580 1.00 0.00 C ATOM 1049 O ASP A 66 74.971 -0.309 3.395 1.00 0.00 O ATOM 1050 CB ASP A 66 75.222 2.382 5.183 1.00 0.00 C ATOM 1051 CG ASP A 66 74.431 2.517 6.486 1.00 0.00 C ATOM 1052 OD1 ASP A 66 73.764 1.563 6.852 1.00 0.00 O ATOM 1053 OD2 ASP A 66 74.506 3.571 7.095 1.00 0.00 O ATOM 0 H ASP A 66 76.964 1.907 3.508 1.00 0.00 H new ATOM 0 HA ASP A 66 76.216 0.690 6.142 1.00 0.00 H new ATOM 0 HB2 ASP A 66 75.959 3.182 5.108 1.00 0.00 H new ATOM 0 HB3 ASP A 66 74.554 2.483 4.328 1.00 0.00 H new ATOM 1058 N ALA A 67 74.193 -0.662 5.417 1.00 0.00 N ATOM 1059 CA ALA A 67 73.261 -1.710 4.922 1.00 0.00 C ATOM 1060 C ALA A 67 71.898 -1.581 5.607 1.00 0.00 C ATOM 1061 O ALA A 67 71.155 -2.536 5.713 1.00 0.00 O ATOM 1062 CB ALA A 67 73.923 -3.037 5.290 1.00 0.00 C ATOM 0 H ALA A 67 74.155 -0.485 6.421 1.00 0.00 H new ATOM 0 HA ALA A 67 73.083 -1.626 3.850 1.00 0.00 H new ATOM 0 HB1 ALA A 67 73.294 -3.862 4.957 1.00 0.00 H new ATOM 0 HB2 ALA A 67 74.897 -3.105 4.805 1.00 0.00 H new ATOM 0 HB3 ALA A 67 74.051 -3.092 6.371 1.00 0.00 H new ATOM 1068 N ASP A 68 71.562 -0.408 6.071 1.00 0.00 N ATOM 1069 CA ASP A 68 70.246 -0.222 6.745 1.00 0.00 C ATOM 1070 C ASP A 68 70.023 1.264 6.995 1.00 0.00 C ATOM 1071 O ASP A 68 69.310 1.658 7.895 1.00 0.00 O ATOM 1072 CB ASP A 68 70.364 -0.983 8.067 1.00 0.00 C ATOM 1073 CG ASP A 68 71.533 -0.420 8.878 1.00 0.00 C ATOM 1074 OD1 ASP A 68 72.350 0.276 8.297 1.00 0.00 O ATOM 1075 OD2 ASP A 68 71.590 -0.692 10.065 1.00 0.00 O ATOM 0 H ASP A 68 72.142 0.429 6.012 1.00 0.00 H new ATOM 0 HA ASP A 68 69.407 -0.586 6.152 1.00 0.00 H new ATOM 0 HB2 ASP A 68 69.438 -0.893 8.634 1.00 0.00 H new ATOM 0 HB3 ASP A 68 70.519 -2.045 7.875 1.00 0.00 H new ATOM 1080 N CYS A 69 70.648 2.084 6.195 1.00 0.00 N ATOM 1081 CA CYS A 69 70.521 3.551 6.350 1.00 0.00 C ATOM 1082 C CYS A 69 70.441 3.928 7.829 1.00 0.00 C ATOM 1083 O CYS A 69 69.795 4.886 8.206 1.00 0.00 O ATOM 1084 CB CYS A 69 69.233 3.928 5.617 1.00 0.00 C ATOM 1085 SG CYS A 69 69.534 5.376 4.573 1.00 0.00 S ATOM 0 H CYS A 69 71.251 1.788 5.428 1.00 0.00 H new ATOM 0 HA CYS A 69 71.382 4.081 5.942 1.00 0.00 H new ATOM 0 HB2 CYS A 69 68.891 3.092 5.007 1.00 0.00 H new ATOM 0 HB3 CYS A 69 68.442 4.143 6.336 1.00 0.00 H new ATOM 0 HG CYS A 69 68.440 5.695 3.948 1.00 0.00 H new ATOM 1091 N ASP A 70 71.091 3.174 8.667 1.00 0.00 N ATOM 1092 CA ASP A 70 71.059 3.474 10.126 1.00 0.00 C ATOM 1093 C ASP A 70 72.088 4.554 10.470 1.00 0.00 C ATOM 1094 O ASP A 70 72.096 5.092 11.559 1.00 0.00 O ATOM 1095 CB ASP A 70 71.417 2.155 10.811 1.00 0.00 C ATOM 1096 CG ASP A 70 72.904 1.861 10.605 1.00 0.00 C ATOM 1097 OD1 ASP A 70 73.377 2.044 9.496 1.00 0.00 O ATOM 1098 OD2 ASP A 70 73.545 1.455 11.561 1.00 0.00 O ATOM 0 H ASP A 70 71.646 2.359 8.405 1.00 0.00 H new ATOM 0 HA ASP A 70 70.087 3.850 10.447 1.00 0.00 H new ATOM 0 HB2 ASP A 70 71.191 2.213 11.876 1.00 0.00 H new ATOM 0 HB3 ASP A 70 70.815 1.344 10.401 1.00 0.00 H new ATOM 1103 N GLY A 71 72.958 4.873 9.551 1.00 0.00 N ATOM 1104 CA GLY A 71 73.986 5.916 9.830 1.00 0.00 C ATOM 1105 C GLY A 71 75.208 5.267 10.483 1.00 0.00 C ATOM 1106 O GLY A 71 76.338 5.587 10.167 1.00 0.00 O ATOM 0 H GLY A 71 73.002 4.457 8.621 1.00 0.00 H new ATOM 0 HA2 GLY A 71 74.276 6.413 8.904 1.00 0.00 H new ATOM 0 HA3 GLY A 71 73.573 6.682 10.487 1.00 0.00 H new ATOM 1110 N ALA A 72 74.991 4.353 11.391 1.00 0.00 N ATOM 1111 CA ALA A 72 76.132 3.682 12.063 1.00 0.00 C ATOM 1112 C ALA A 72 76.535 2.432 11.279 1.00 0.00 C ATOM 1113 O ALA A 72 75.775 1.911 10.487 1.00 0.00 O ATOM 1114 CB ALA A 72 75.610 3.302 13.449 1.00 0.00 C ATOM 0 H ALA A 72 74.068 4.044 11.695 1.00 0.00 H new ATOM 0 HA ALA A 72 77.013 4.321 12.124 1.00 0.00 H new ATOM 0 HB1 ALA A 72 76.398 2.799 14.009 1.00 0.00 H new ATOM 0 HB2 ALA A 72 75.303 4.202 13.982 1.00 0.00 H new ATOM 0 HB3 ALA A 72 74.756 2.633 13.345 1.00 0.00 H new ATOM 1120 N LEU A 73 77.725 1.954 11.488 1.00 0.00 N ATOM 1121 CA LEU A 73 78.183 0.741 10.751 1.00 0.00 C ATOM 1122 C LEU A 73 78.913 -0.218 11.693 1.00 0.00 C ATOM 1123 O LEU A 73 79.914 0.123 12.288 1.00 0.00 O ATOM 1124 CB LEU A 73 79.139 1.271 9.682 1.00 0.00 C ATOM 1125 CG LEU A 73 78.352 2.068 8.638 1.00 0.00 C ATOM 1126 CD1 LEU A 73 78.453 3.561 8.952 1.00 0.00 C ATOM 1127 CD2 LEU A 73 78.934 1.802 7.246 1.00 0.00 C ATOM 0 H LEU A 73 78.405 2.349 12.138 1.00 0.00 H new ATOM 0 HA LEU A 73 77.351 0.183 10.321 1.00 0.00 H new ATOM 0 HB2 LEU A 73 79.898 1.904 10.141 1.00 0.00 H new ATOM 0 HB3 LEU A 73 79.661 0.442 9.204 1.00 0.00 H new ATOM 0 HG LEU A 73 77.307 1.761 8.661 1.00 0.00 H new ATOM 0 HD11 LEU A 73 77.893 4.128 8.209 1.00 0.00 H new ATOM 0 HD12 LEU A 73 78.040 3.753 9.942 1.00 0.00 H new ATOM 0 HD13 LEU A 73 79.499 3.868 8.929 1.00 0.00 H new ATOM 0 HD21 LEU A 73 78.374 2.369 6.503 1.00 0.00 H new ATOM 0 HD22 LEU A 73 79.980 2.109 7.224 1.00 0.00 H new ATOM 0 HD23 LEU A 73 78.863 0.738 7.019 1.00 0.00 H new ATOM 1139 N THR A 74 78.423 -1.420 11.828 1.00 0.00 N ATOM 1140 CA THR A 74 79.095 -2.401 12.729 1.00 0.00 C ATOM 1141 C THR A 74 80.582 -2.489 12.393 1.00 0.00 C ATOM 1142 O THR A 74 80.977 -2.299 11.264 1.00 0.00 O ATOM 1143 CB THR A 74 78.424 -3.750 12.448 1.00 0.00 C ATOM 1144 OG1 THR A 74 77.754 -3.706 11.197 1.00 0.00 O ATOM 1145 CG2 THR A 74 77.418 -4.064 13.550 1.00 0.00 C ATOM 0 H THR A 74 77.588 -1.765 11.355 1.00 0.00 H new ATOM 0 HA THR A 74 79.006 -2.110 13.776 1.00 0.00 H new ATOM 0 HB THR A 74 79.188 -4.527 12.421 1.00 0.00 H new ATOM 0 HG1 THR A 74 77.329 -4.572 11.023 1.00 0.00 H new ATOM 0 HG21 THR A 74 76.943 -5.024 13.346 1.00 0.00 H new ATOM 0 HG22 THR A 74 77.932 -4.110 14.510 1.00 0.00 H new ATOM 0 HG23 THR A 74 76.658 -3.283 13.582 1.00 0.00 H new ATOM 1153 N LEU A 75 81.408 -2.797 13.354 1.00 0.00 N ATOM 1154 CA LEU A 75 82.859 -2.924 13.059 1.00 0.00 C ATOM 1155 C LEU A 75 83.054 -3.886 11.881 1.00 0.00 C ATOM 1156 O LEU A 75 83.734 -3.560 10.928 1.00 0.00 O ATOM 1157 CB LEU A 75 83.489 -3.490 14.334 1.00 0.00 C ATOM 1158 CG LEU A 75 84.907 -3.981 14.032 1.00 0.00 C ATOM 1159 CD1 LEU A 75 85.915 -3.159 14.838 1.00 0.00 C ATOM 1160 CD2 LEU A 75 85.029 -5.456 14.421 1.00 0.00 C ATOM 0 H LEU A 75 81.142 -2.965 14.324 1.00 0.00 H new ATOM 0 HA LEU A 75 83.315 -1.973 12.784 1.00 0.00 H new ATOM 0 HB2 LEU A 75 83.516 -2.724 15.109 1.00 0.00 H new ATOM 0 HB3 LEU A 75 82.883 -4.311 14.718 1.00 0.00 H new ATOM 0 HG LEU A 75 85.111 -3.866 12.968 1.00 0.00 H new ATOM 0 HD11 LEU A 75 86.925 -3.509 14.623 1.00 0.00 H new ATOM 0 HD12 LEU A 75 85.829 -2.108 14.564 1.00 0.00 H new ATOM 0 HD13 LEU A 75 85.710 -3.274 15.902 1.00 0.00 H new ATOM 0 HD21 LEU A 75 86.038 -5.807 14.206 1.00 0.00 H new ATOM 0 HD22 LEU A 75 84.824 -5.570 15.486 1.00 0.00 H new ATOM 0 HD23 LEU A 75 84.311 -6.044 13.849 1.00 0.00 H new ATOM 1172 N PRO A 76 82.449 -5.050 11.977 1.00 0.00 N ATOM 1173 CA PRO A 76 82.571 -6.048 10.890 1.00 0.00 C ATOM 1174 C PRO A 76 82.125 -5.446 9.556 1.00 0.00 C ATOM 1175 O PRO A 76 82.606 -5.824 8.506 1.00 0.00 O ATOM 1176 CB PRO A 76 81.639 -7.192 11.305 1.00 0.00 C ATOM 1177 CG PRO A 76 80.876 -6.710 12.499 1.00 0.00 C ATOM 1178 CD PRO A 76 81.620 -5.543 13.085 1.00 0.00 C ATOM 0 HA PRO A 76 83.599 -6.384 10.751 1.00 0.00 H new ATOM 0 HB2 PRO A 76 80.962 -7.454 10.492 1.00 0.00 H new ATOM 0 HB3 PRO A 76 82.210 -8.089 11.546 1.00 0.00 H new ATOM 0 HG2 PRO A 76 79.867 -6.414 12.212 1.00 0.00 H new ATOM 0 HG3 PRO A 76 80.777 -7.507 13.235 1.00 0.00 H new ATOM 0 HD2 PRO A 76 80.936 -4.774 13.443 1.00 0.00 H new ATOM 0 HD3 PRO A 76 82.231 -5.847 13.935 1.00 0.00 H new ATOM 1186 N GLU A 77 81.214 -4.509 9.578 1.00 0.00 N ATOM 1187 CA GLU A 77 80.761 -3.895 8.297 1.00 0.00 C ATOM 1188 C GLU A 77 81.754 -2.804 7.880 1.00 0.00 C ATOM 1189 O GLU A 77 81.880 -2.470 6.718 1.00 0.00 O ATOM 1190 CB GLU A 77 79.355 -3.336 8.600 1.00 0.00 C ATOM 1191 CG GLU A 77 79.361 -1.805 8.655 1.00 0.00 C ATOM 1192 CD GLU A 77 77.921 -1.292 8.631 1.00 0.00 C ATOM 1193 OE1 GLU A 77 77.093 -1.879 9.309 1.00 0.00 O ATOM 1194 OE2 GLU A 77 77.668 -0.324 7.935 1.00 0.00 O ATOM 0 H GLU A 77 80.768 -4.145 10.420 1.00 0.00 H new ATOM 0 HA GLU A 77 80.718 -4.598 7.465 1.00 0.00 H new ATOM 0 HB2 GLU A 77 78.656 -3.671 7.834 1.00 0.00 H new ATOM 0 HB3 GLU A 77 79.001 -3.734 9.551 1.00 0.00 H new ATOM 0 HG2 GLU A 77 79.865 -1.464 9.559 1.00 0.00 H new ATOM 0 HG3 GLU A 77 79.917 -1.402 7.809 1.00 0.00 H new ATOM 1201 N PHE A 78 82.465 -2.259 8.827 1.00 0.00 N ATOM 1202 CA PHE A 78 83.461 -1.201 8.508 1.00 0.00 C ATOM 1203 C PHE A 78 84.710 -1.839 7.900 1.00 0.00 C ATOM 1204 O PHE A 78 85.395 -1.242 7.093 1.00 0.00 O ATOM 1205 CB PHE A 78 83.778 -0.550 9.857 1.00 0.00 C ATOM 1206 CG PHE A 78 85.038 0.275 9.748 1.00 0.00 C ATOM 1207 CD1 PHE A 78 86.286 -0.357 9.685 1.00 0.00 C ATOM 1208 CD2 PHE A 78 84.958 1.672 9.718 1.00 0.00 C ATOM 1209 CE1 PHE A 78 87.454 0.409 9.591 1.00 0.00 C ATOM 1210 CE2 PHE A 78 86.127 2.438 9.623 1.00 0.00 C ATOM 1211 CZ PHE A 78 87.374 1.807 9.560 1.00 0.00 C ATOM 0 H PHE A 78 82.398 -2.504 9.815 1.00 0.00 H new ATOM 0 HA PHE A 78 83.094 -0.472 7.785 1.00 0.00 H new ATOM 0 HB2 PHE A 78 82.946 0.081 10.170 1.00 0.00 H new ATOM 0 HB3 PHE A 78 83.901 -1.318 10.621 1.00 0.00 H new ATOM 0 HD1 PHE A 78 86.347 -1.435 9.709 1.00 0.00 H new ATOM 0 HD2 PHE A 78 83.995 2.159 9.768 1.00 0.00 H new ATOM 0 HE1 PHE A 78 88.417 -0.078 9.542 1.00 0.00 H new ATOM 0 HE2 PHE A 78 86.066 3.516 9.598 1.00 0.00 H new ATOM 0 HZ PHE A 78 88.275 2.398 9.487 1.00 0.00 H new ATOM 1221 N CYS A 79 85.009 -3.054 8.277 1.00 0.00 N ATOM 1222 CA CYS A 79 86.210 -3.731 7.712 1.00 0.00 C ATOM 1223 C CYS A 79 86.135 -3.727 6.183 1.00 0.00 C ATOM 1224 O CYS A 79 87.125 -3.543 5.503 1.00 0.00 O ATOM 1225 CB CYS A 79 86.150 -5.161 8.250 1.00 0.00 C ATOM 1226 SG CYS A 79 87.403 -6.171 7.420 1.00 0.00 S ATOM 0 H CYS A 79 84.475 -3.604 8.949 1.00 0.00 H new ATOM 0 HA CYS A 79 87.139 -3.234 7.990 1.00 0.00 H new ATOM 0 HB2 CYS A 79 86.320 -5.163 9.327 1.00 0.00 H new ATOM 0 HB3 CYS A 79 85.159 -5.582 8.083 1.00 0.00 H new ATOM 0 HG CYS A 79 87.354 -7.387 7.878 1.00 0.00 H new ATOM 1232 N ALA A 80 84.964 -3.924 5.640 1.00 0.00 N ATOM 1233 CA ALA A 80 84.822 -3.927 4.156 1.00 0.00 C ATOM 1234 C ALA A 80 84.809 -2.490 3.633 1.00 0.00 C ATOM 1235 O ALA A 80 85.337 -2.196 2.578 1.00 0.00 O ATOM 1236 CB ALA A 80 83.481 -4.608 3.886 1.00 0.00 C ATOM 0 H ALA A 80 84.101 -4.083 6.159 1.00 0.00 H new ATOM 0 HA ALA A 80 85.644 -4.443 3.660 1.00 0.00 H new ATOM 0 HB1 ALA A 80 83.303 -4.649 2.811 1.00 0.00 H new ATOM 0 HB2 ALA A 80 83.499 -5.620 4.289 1.00 0.00 H new ATOM 0 HB3 ALA A 80 82.682 -4.041 4.364 1.00 0.00 H new ATOM 1242 N ALA A 81 84.210 -1.594 4.366 1.00 0.00 N ATOM 1243 CA ALA A 81 84.163 -0.174 3.917 1.00 0.00 C ATOM 1244 C ALA A 81 85.583 0.381 3.776 1.00 0.00 C ATOM 1245 O ALA A 81 85.803 1.396 3.146 1.00 0.00 O ATOM 1246 CB ALA A 81 83.402 0.567 5.016 1.00 0.00 C ATOM 0 H ALA A 81 83.751 -1.783 5.257 1.00 0.00 H new ATOM 0 HA ALA A 81 83.681 -0.063 2.946 1.00 0.00 H new ATOM 0 HB1 ALA A 81 83.326 1.623 4.757 1.00 0.00 H new ATOM 0 HB2 ALA A 81 82.402 0.144 5.115 1.00 0.00 H new ATOM 0 HB3 ALA A 81 83.935 0.463 5.961 1.00 0.00 H new ATOM 1252 N PHE A 82 86.551 -0.278 4.357 1.00 0.00 N ATOM 1253 CA PHE A 82 87.953 0.218 4.251 1.00 0.00 C ATOM 1254 C PHE A 82 88.552 -0.174 2.898 1.00 0.00 C ATOM 1255 O PHE A 82 88.932 0.672 2.113 1.00 0.00 O ATOM 1256 CB PHE A 82 88.713 -0.459 5.390 1.00 0.00 C ATOM 1257 CG PHE A 82 89.678 0.530 6.000 1.00 0.00 C ATOM 1258 CD1 PHE A 82 90.968 0.670 5.472 1.00 0.00 C ATOM 1259 CD2 PHE A 82 89.280 1.311 7.090 1.00 0.00 C ATOM 1260 CE1 PHE A 82 91.860 1.590 6.037 1.00 0.00 C ATOM 1261 CE2 PHE A 82 90.172 2.232 7.654 1.00 0.00 C ATOM 1262 CZ PHE A 82 91.461 2.371 7.128 1.00 0.00 C ATOM 0 H PHE A 82 86.431 -1.134 4.898 1.00 0.00 H new ATOM 0 HA PHE A 82 88.007 1.304 4.322 1.00 0.00 H new ATOM 0 HB2 PHE A 82 88.015 -0.818 6.146 1.00 0.00 H new ATOM 0 HB3 PHE A 82 89.253 -1.329 5.016 1.00 0.00 H new ATOM 0 HD1 PHE A 82 91.275 0.068 4.629 1.00 0.00 H new ATOM 0 HD2 PHE A 82 88.285 1.204 7.497 1.00 0.00 H new ATOM 0 HE1 PHE A 82 92.855 1.697 5.631 1.00 0.00 H new ATOM 0 HE2 PHE A 82 89.865 2.835 8.495 1.00 0.00 H new ATOM 0 HZ PHE A 82 92.148 3.081 7.564 1.00 0.00 H new ATOM 1272 N HIS A 83 88.634 -1.446 2.610 1.00 0.00 N ATOM 1273 CA HIS A 83 89.206 -1.866 1.300 1.00 0.00 C ATOM 1274 C HIS A 83 88.471 -1.144 0.169 1.00 0.00 C ATOM 1275 O HIS A 83 88.972 -1.014 -0.930 1.00 0.00 O ATOM 1276 CB HIS A 83 88.996 -3.383 1.227 1.00 0.00 C ATOM 1277 CG HIS A 83 87.571 -3.699 0.859 1.00 0.00 C ATOM 1278 ND1 HIS A 83 86.757 -4.482 1.664 1.00 0.00 N ATOM 1279 CD2 HIS A 83 86.804 -3.359 -0.228 1.00 0.00 C ATOM 1280 CE1 HIS A 83 85.563 -4.587 1.055 1.00 0.00 C ATOM 1281 NE2 HIS A 83 85.537 -3.921 -0.103 1.00 0.00 N ATOM 0 H HIS A 83 88.332 -2.206 3.220 1.00 0.00 H new ATOM 0 HA HIS A 83 90.263 -1.617 1.202 1.00 0.00 H new ATOM 0 HB2 HIS A 83 89.673 -3.815 0.490 1.00 0.00 H new ATOM 0 HB3 HIS A 83 89.239 -3.837 2.188 1.00 0.00 H new ATOM 0 HD1 HIS A 83 87.017 -4.902 2.556 1.00 0.00 H new ATOM 0 HD2 HIS A 83 87.134 -2.748 -1.055 1.00 0.00 H new ATOM 0 HE1 HIS A 83 84.727 -5.142 1.453 1.00 0.00 H new ATOM 1289 N LEU A 84 87.290 -0.658 0.441 1.00 0.00 N ATOM 1290 CA LEU A 84 86.523 0.075 -0.605 1.00 0.00 C ATOM 1291 C LEU A 84 87.112 1.476 -0.779 1.00 0.00 C ATOM 1292 O LEU A 84 87.264 1.970 -1.879 1.00 0.00 O ATOM 1293 CB LEU A 84 85.093 0.159 -0.067 1.00 0.00 C ATOM 1294 CG LEU A 84 84.414 -1.205 -0.191 1.00 0.00 C ATOM 1295 CD1 LEU A 84 82.939 -1.080 0.195 1.00 0.00 C ATOM 1296 CD2 LEU A 84 84.520 -1.699 -1.636 1.00 0.00 C ATOM 0 H LEU A 84 86.823 -0.738 1.344 1.00 0.00 H new ATOM 0 HA LEU A 84 86.559 -0.419 -1.576 1.00 0.00 H new ATOM 0 HB2 LEU A 84 85.105 0.477 0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 84 84.529 0.908 -0.622 1.00 0.00 H new ATOM 0 HG LEU A 84 84.905 -1.915 0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 84 82.456 -2.053 0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 84 82.861 -0.729 1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 84 82.448 -0.369 -0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 84 84.036 -2.672 -1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 84 84.030 -0.988 -2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 84 85.570 -1.790 -1.913 1.00 0.00 H new ATOM 1308 N ILE A 85 87.452 2.115 0.308 1.00 0.00 N ATOM 1309 CA ILE A 85 88.040 3.481 0.222 1.00 0.00 C ATOM 1310 C ILE A 85 89.365 3.429 -0.542 1.00 0.00 C ATOM 1311 O ILE A 85 89.634 4.245 -1.401 1.00 0.00 O ATOM 1312 CB ILE A 85 88.273 3.899 1.675 1.00 0.00 C ATOM 1313 CG1 ILE A 85 86.940 4.313 2.309 1.00 0.00 C ATOM 1314 CG2 ILE A 85 89.251 5.075 1.724 1.00 0.00 C ATOM 1315 CD1 ILE A 85 86.513 5.677 1.765 1.00 0.00 C ATOM 0 H ILE A 85 87.347 1.748 1.254 1.00 0.00 H new ATOM 0 HA ILE A 85 87.394 4.183 -0.305 1.00 0.00 H new ATOM 0 HB ILE A 85 88.693 3.059 2.228 1.00 0.00 H new ATOM 0 HG12 ILE A 85 86.175 3.568 2.090 1.00 0.00 H new ATOM 0 HG13 ILE A 85 87.040 4.358 3.393 1.00 0.00 H new ATOM 0 HG21 ILE A 85 89.414 5.370 2.761 1.00 0.00 H new ATOM 0 HG22 ILE A 85 90.200 4.778 1.278 1.00 0.00 H new ATOM 0 HG23 ILE A 85 88.836 5.916 1.169 1.00 0.00 H new ATOM 0 HD11 ILE A 85 85.565 5.969 2.217 1.00 0.00 H new ATOM 0 HD12 ILE A 85 87.274 6.419 2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 85 86.395 5.617 0.683 1.00 0.00 H new ATOM 1327 N VAL A 86 90.195 2.469 -0.234 1.00 0.00 N ATOM 1328 CA VAL A 86 91.504 2.356 -0.940 1.00 0.00 C ATOM 1329 C VAL A 86 91.297 1.781 -2.343 1.00 0.00 C ATOM 1330 O VAL A 86 92.105 1.975 -3.229 1.00 0.00 O ATOM 1331 CB VAL A 86 92.329 1.396 -0.084 1.00 0.00 C ATOM 1332 CG1 VAL A 86 93.777 1.388 -0.577 1.00 0.00 C ATOM 1333 CG2 VAL A 86 92.292 1.855 1.375 1.00 0.00 C ATOM 0 H VAL A 86 90.023 1.758 0.476 1.00 0.00 H new ATOM 0 HA VAL A 86 91.996 3.321 -1.061 1.00 0.00 H new ATOM 0 HB VAL A 86 91.913 0.392 -0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 86 94.365 0.703 0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 86 93.805 1.063 -1.617 1.00 0.00 H new ATOM 0 HG13 VAL A 86 94.193 2.392 -0.499 1.00 0.00 H new ATOM 0 HG21 VAL A 86 92.880 1.171 1.987 1.00 0.00 H new ATOM 0 HG22 VAL A 86 92.709 2.859 1.451 1.00 0.00 H new ATOM 0 HG23 VAL A 86 91.261 1.862 1.728 1.00 0.00 H new ATOM 1343 N ALA A 87 90.219 1.072 -2.550 1.00 0.00 N ATOM 1344 CA ALA A 87 89.955 0.482 -3.895 1.00 0.00 C ATOM 1345 C ALA A 87 90.307 1.490 -4.991 1.00 0.00 C ATOM 1346 O ALA A 87 90.811 1.134 -6.038 1.00 0.00 O ATOM 1347 CB ALA A 87 88.456 0.183 -3.909 1.00 0.00 C ATOM 0 H ALA A 87 89.509 0.876 -1.845 1.00 0.00 H new ATOM 0 HA ALA A 87 90.552 -0.411 -4.078 1.00 0.00 H new ATOM 0 HB1 ALA A 87 88.181 -0.255 -4.869 1.00 0.00 H new ATOM 0 HB2 ALA A 87 88.217 -0.518 -3.109 1.00 0.00 H new ATOM 0 HB3 ALA A 87 87.899 1.108 -3.760 1.00 0.00 H new ATOM 1353 N ARG A 88 90.046 2.746 -4.756 1.00 0.00 N ATOM 1354 CA ARG A 88 90.365 3.780 -5.780 1.00 0.00 C ATOM 1355 C ARG A 88 91.880 3.874 -5.981 1.00 0.00 C ATOM 1356 O ARG A 88 92.370 3.880 -7.093 1.00 0.00 O ATOM 1357 CB ARG A 88 89.819 5.086 -5.203 1.00 0.00 C ATOM 1358 CG ARG A 88 88.949 5.786 -6.248 1.00 0.00 C ATOM 1359 CD ARG A 88 87.721 4.924 -6.552 1.00 0.00 C ATOM 1360 NE ARG A 88 88.062 4.198 -7.806 1.00 0.00 N ATOM 1361 CZ ARG A 88 87.429 3.101 -8.118 1.00 0.00 C ATOM 1362 NH1 ARG A 88 87.824 1.958 -7.628 1.00 0.00 N ATOM 1363 NH2 ARG A 88 86.399 3.147 -8.919 1.00 0.00 N ATOM 0 H ARG A 88 89.625 3.101 -3.898 1.00 0.00 H new ATOM 0 HA ARG A 88 89.930 3.549 -6.752 1.00 0.00 H new ATOM 0 HB2 ARG A 88 89.234 4.882 -4.306 1.00 0.00 H new ATOM 0 HB3 ARG A 88 90.642 5.736 -4.906 1.00 0.00 H new ATOM 0 HG2 ARG A 88 88.638 6.764 -5.881 1.00 0.00 H new ATOM 0 HG3 ARG A 88 89.522 5.955 -7.160 1.00 0.00 H new ATOM 0 HD2 ARG A 88 87.515 4.230 -5.737 1.00 0.00 H new ATOM 0 HD3 ARG A 88 86.830 5.538 -6.681 1.00 0.00 H new ATOM 0 HE ARG A 88 88.791 4.559 -8.422 1.00 0.00 H new ATOM 0 HH11 ARG A 88 88.628 1.922 -7.001 1.00 0.00 H new ATOM 0 HH12 ARG A 88 87.329 1.100 -7.872 1.00 0.00 H new ATOM 0 HH21 ARG A 88 86.089 4.041 -9.301 1.00 0.00 H new ATOM 0 HH22 ARG A 88 85.904 2.289 -9.163 1.00 0.00 H new ATOM 1377 N LYS A 89 92.624 3.949 -4.912 1.00 0.00 N ATOM 1378 CA LYS A 89 94.106 4.044 -5.040 1.00 0.00 C ATOM 1379 C LYS A 89 94.672 2.754 -5.639 1.00 0.00 C ATOM 1380 O LYS A 89 95.180 2.742 -6.743 1.00 0.00 O ATOM 1381 CB LYS A 89 94.614 4.243 -3.610 1.00 0.00 C ATOM 1382 CG LYS A 89 94.038 5.541 -3.039 1.00 0.00 C ATOM 1383 CD LYS A 89 94.208 6.669 -4.058 1.00 0.00 C ATOM 1384 CE LYS A 89 95.666 6.734 -4.512 1.00 0.00 C ATOM 1385 NZ LYS A 89 95.657 7.617 -5.710 1.00 0.00 N ATOM 0 H LYS A 89 92.270 3.949 -3.955 1.00 0.00 H new ATOM 0 HA LYS A 89 94.412 4.857 -5.698 1.00 0.00 H new ATOM 0 HB2 LYS A 89 94.320 3.398 -2.988 1.00 0.00 H new ATOM 0 HB3 LYS A 89 95.703 4.282 -3.602 1.00 0.00 H new ATOM 0 HG2 LYS A 89 92.983 5.409 -2.801 1.00 0.00 H new ATOM 0 HG3 LYS A 89 94.545 5.798 -2.109 1.00 0.00 H new ATOM 0 HD2 LYS A 89 93.557 6.499 -4.915 1.00 0.00 H new ATOM 0 HD3 LYS A 89 93.911 7.620 -3.616 1.00 0.00 H new ATOM 0 HE2 LYS A 89 96.306 7.139 -3.728 1.00 0.00 H new ATOM 0 HE3 LYS A 89 96.048 5.743 -4.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 96.625 7.710 -6.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 95.045 7.203 -6.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 95.295 8.556 -5.447 1.00 0.00 H new ATOM 1399 N ASN A 90 94.591 1.666 -4.921 1.00 0.00 N ATOM 1400 CA ASN A 90 95.127 0.381 -5.456 1.00 0.00 C ATOM 1401 C ASN A 90 94.695 0.191 -6.911 1.00 0.00 C ATOM 1402 O ASN A 90 95.418 -0.359 -7.718 1.00 0.00 O ATOM 1403 CB ASN A 90 94.516 -0.706 -4.570 1.00 0.00 C ATOM 1404 CG ASN A 90 95.605 -1.318 -3.688 1.00 0.00 C ATOM 1405 OD1 ASN A 90 95.409 -1.509 -2.505 1.00 0.00 O ATOM 1406 ND2 ASN A 90 96.754 -1.637 -4.219 1.00 0.00 N ATOM 0 H ASN A 90 94.178 1.611 -3.990 1.00 0.00 H new ATOM 0 HA ASN A 90 96.217 0.353 -5.442 1.00 0.00 H new ATOM 0 HB2 ASN A 90 93.726 -0.283 -3.950 1.00 0.00 H new ATOM 0 HB3 ASN A 90 94.057 -1.478 -5.188 1.00 0.00 H new ATOM 0 HD21 ASN A 90 97.487 -2.047 -3.640 1.00 0.00 H new ATOM 0 HD22 ASN A 90 96.919 -1.477 -5.213 1.00 0.00 H new ATOM 1413 N GLY A 91 93.519 0.642 -7.254 1.00 0.00 N ATOM 1414 CA GLY A 91 93.041 0.488 -8.656 1.00 0.00 C ATOM 1415 C GLY A 91 92.338 -0.862 -8.808 1.00 0.00 C ATOM 1416 O GLY A 91 92.268 -1.418 -9.886 1.00 0.00 O ATOM 0 H GLY A 91 92.869 1.111 -6.623 1.00 0.00 H new ATOM 0 HA2 GLY A 91 92.356 1.297 -8.909 1.00 0.00 H new ATOM 0 HA3 GLY A 91 93.881 0.553 -9.347 1.00 0.00 H new ATOM 1420 N TYR A 92 91.816 -1.392 -7.736 1.00 0.00 N ATOM 1421 CA TYR A 92 91.118 -2.707 -7.820 1.00 0.00 C ATOM 1422 C TYR A 92 90.181 -2.729 -9.030 1.00 0.00 C ATOM 1423 O TYR A 92 89.735 -1.698 -9.491 1.00 0.00 O ATOM 1424 CB TYR A 92 90.320 -2.813 -6.520 1.00 0.00 C ATOM 1425 CG TYR A 92 91.146 -3.536 -5.481 1.00 0.00 C ATOM 1426 CD1 TYR A 92 92.107 -2.838 -4.741 1.00 0.00 C ATOM 1427 CD2 TYR A 92 90.948 -4.903 -5.259 1.00 0.00 C ATOM 1428 CE1 TYR A 92 92.871 -3.509 -3.778 1.00 0.00 C ATOM 1429 CE2 TYR A 92 91.713 -5.574 -4.298 1.00 0.00 C ATOM 1430 CZ TYR A 92 92.674 -4.877 -3.556 1.00 0.00 C ATOM 1431 OH TYR A 92 93.428 -5.538 -2.608 1.00 0.00 O ATOM 0 H TYR A 92 91.842 -0.972 -6.807 1.00 0.00 H new ATOM 0 HA TYR A 92 91.812 -3.539 -7.941 1.00 0.00 H new ATOM 0 HB2 TYR A 92 90.054 -1.819 -6.162 1.00 0.00 H new ATOM 0 HB3 TYR A 92 89.387 -3.348 -6.696 1.00 0.00 H new ATOM 0 HD1 TYR A 92 92.259 -1.783 -4.912 1.00 0.00 H new ATOM 0 HD2 TYR A 92 90.205 -5.441 -5.829 1.00 0.00 H new ATOM 0 HE1 TYR A 92 93.613 -2.971 -3.206 1.00 0.00 H new ATOM 0 HE2 TYR A 92 91.562 -6.630 -4.129 1.00 0.00 H new ATOM 0 HH TYR A 92 93.164 -6.481 -2.580 1.00 0.00 H new ATOM 1441 N PRO A 93 89.915 -3.916 -9.506 1.00 0.00 N ATOM 1442 CA PRO A 93 89.022 -4.082 -10.678 1.00 0.00 C ATOM 1443 C PRO A 93 87.651 -3.461 -10.396 1.00 0.00 C ATOM 1444 O PRO A 93 87.523 -2.550 -9.604 1.00 0.00 O ATOM 1445 CB PRO A 93 88.907 -5.598 -10.850 1.00 0.00 C ATOM 1446 CG PRO A 93 90.049 -6.181 -10.077 1.00 0.00 C ATOM 1447 CD PRO A 93 90.419 -5.194 -9.002 1.00 0.00 C ATOM 0 HA PRO A 93 89.404 -3.591 -11.573 1.00 0.00 H new ATOM 0 HB2 PRO A 93 87.952 -5.964 -10.473 1.00 0.00 H new ATOM 0 HB3 PRO A 93 88.963 -5.878 -11.902 1.00 0.00 H new ATOM 0 HG2 PRO A 93 89.766 -7.138 -9.638 1.00 0.00 H new ATOM 0 HG3 PRO A 93 90.899 -6.370 -10.733 1.00 0.00 H new ATOM 0 HD2 PRO A 93 89.963 -5.454 -8.047 1.00 0.00 H new ATOM 0 HD3 PRO A 93 91.497 -5.163 -8.842 1.00 0.00 H new ATOM 1455 N LEU A 94 86.626 -3.948 -11.043 1.00 0.00 N ATOM 1456 CA LEU A 94 85.263 -3.384 -10.815 1.00 0.00 C ATOM 1457 C LEU A 94 85.036 -3.129 -9.322 1.00 0.00 C ATOM 1458 O LEU A 94 85.454 -3.908 -8.488 1.00 0.00 O ATOM 1459 CB LEU A 94 84.301 -4.457 -11.327 1.00 0.00 C ATOM 1460 CG LEU A 94 84.587 -5.780 -10.614 1.00 0.00 C ATOM 1461 CD1 LEU A 94 83.376 -6.174 -9.766 1.00 0.00 C ATOM 1462 CD2 LEU A 94 84.858 -6.872 -11.651 1.00 0.00 C ATOM 0 H LEU A 94 86.673 -4.711 -11.719 1.00 0.00 H new ATOM 0 HA LEU A 94 85.121 -2.431 -11.324 1.00 0.00 H new ATOM 0 HB2 LEU A 94 83.270 -4.151 -11.149 1.00 0.00 H new ATOM 0 HB3 LEU A 94 84.416 -4.580 -12.404 1.00 0.00 H new ATOM 0 HG LEU A 94 85.460 -5.664 -9.972 1.00 0.00 H new ATOM 0 HD11 LEU A 94 83.579 -7.117 -9.258 1.00 0.00 H new ATOM 0 HD12 LEU A 94 83.182 -5.397 -9.026 1.00 0.00 H new ATOM 0 HD13 LEU A 94 82.503 -6.289 -10.409 1.00 0.00 H new ATOM 0 HD21 LEU A 94 85.062 -7.814 -11.142 1.00 0.00 H new ATOM 0 HD22 LEU A 94 83.985 -6.988 -12.294 1.00 0.00 H new ATOM 0 HD23 LEU A 94 85.720 -6.593 -12.257 1.00 0.00 H new ATOM 1474 N PRO A 95 84.376 -2.040 -9.037 1.00 0.00 N ATOM 1475 CA PRO A 95 84.088 -1.670 -7.630 1.00 0.00 C ATOM 1476 C PRO A 95 83.088 -2.654 -7.016 1.00 0.00 C ATOM 1477 O PRO A 95 82.723 -3.644 -7.620 1.00 0.00 O ATOM 1478 CB PRO A 95 83.480 -0.272 -7.732 1.00 0.00 C ATOM 1479 CG PRO A 95 83.005 -0.141 -9.146 1.00 0.00 C ATOM 1480 CD PRO A 95 83.846 -1.061 -9.991 1.00 0.00 C ATOM 0 HA PRO A 95 84.973 -1.694 -6.995 1.00 0.00 H new ATOM 0 HB2 PRO A 95 82.656 -0.151 -7.029 1.00 0.00 H new ATOM 0 HB3 PRO A 95 84.218 0.494 -7.494 1.00 0.00 H new ATOM 0 HG2 PRO A 95 81.951 -0.406 -9.223 1.00 0.00 H new ATOM 0 HG3 PRO A 95 83.100 0.889 -9.489 1.00 0.00 H new ATOM 0 HD2 PRO A 95 83.252 -1.543 -10.768 1.00 0.00 H new ATOM 0 HD3 PRO A 95 84.648 -0.519 -10.493 1.00 0.00 H new ATOM 1488 N GLU A 96 82.644 -2.390 -5.816 1.00 0.00 N ATOM 1489 CA GLU A 96 81.668 -3.311 -5.163 1.00 0.00 C ATOM 1490 C GLU A 96 80.236 -2.882 -5.490 1.00 0.00 C ATOM 1491 O GLU A 96 80.012 -1.980 -6.274 1.00 0.00 O ATOM 1492 CB GLU A 96 81.940 -3.174 -3.665 1.00 0.00 C ATOM 1493 CG GLU A 96 82.682 -4.416 -3.167 1.00 0.00 C ATOM 1494 CD GLU A 96 82.254 -4.724 -1.730 1.00 0.00 C ATOM 1495 OE1 GLU A 96 81.898 -3.793 -1.027 1.00 0.00 O ATOM 1496 OE2 GLU A 96 82.289 -5.886 -1.359 1.00 0.00 O ATOM 0 H GLU A 96 82.914 -1.578 -5.261 1.00 0.00 H new ATOM 0 HA GLU A 96 81.776 -4.340 -5.506 1.00 0.00 H new ATOM 0 HB2 GLU A 96 82.534 -2.281 -3.472 1.00 0.00 H new ATOM 0 HB3 GLU A 96 81.002 -3.056 -3.123 1.00 0.00 H new ATOM 0 HG2 GLU A 96 82.464 -5.266 -3.813 1.00 0.00 H new ATOM 0 HG3 GLU A 96 83.759 -4.251 -3.210 1.00 0.00 H new ATOM 1503 N GLY A 97 79.263 -3.521 -4.900 1.00 0.00 N ATOM 1504 CA GLY A 97 77.851 -3.148 -5.183 1.00 0.00 C ATOM 1505 C GLY A 97 77.532 -3.451 -6.647 1.00 0.00 C ATOM 1506 O GLY A 97 78.414 -3.711 -7.442 1.00 0.00 O ATOM 0 H GLY A 97 79.386 -4.284 -4.235 1.00 0.00 H new ATOM 0 HA2 GLY A 97 77.178 -3.704 -4.530 1.00 0.00 H new ATOM 0 HA3 GLY A 97 77.694 -2.089 -4.976 1.00 0.00 H new ATOM 1510 N LEU A 98 76.283 -3.420 -7.013 1.00 0.00 N ATOM 1511 CA LEU A 98 75.916 -3.709 -8.427 1.00 0.00 C ATOM 1512 C LEU A 98 75.335 -2.459 -9.092 1.00 0.00 C ATOM 1513 O LEU A 98 74.181 -2.437 -9.468 1.00 0.00 O ATOM 1514 CB LEU A 98 74.860 -4.813 -8.345 1.00 0.00 C ATOM 1515 CG LEU A 98 75.461 -6.133 -8.833 1.00 0.00 C ATOM 1516 CD1 LEU A 98 75.862 -6.000 -10.304 1.00 0.00 C ATOM 1517 CD2 LEU A 98 76.698 -6.467 -7.997 1.00 0.00 C ATOM 0 H LEU A 98 75.500 -3.207 -6.395 1.00 0.00 H new ATOM 0 HA LEU A 98 76.778 -4.012 -9.022 1.00 0.00 H new ATOM 0 HB2 LEU A 98 74.508 -4.919 -7.319 1.00 0.00 H new ATOM 0 HB3 LEU A 98 73.995 -4.549 -8.953 1.00 0.00 H new ATOM 0 HG LEU A 98 74.723 -6.929 -8.729 1.00 0.00 H new ATOM 0 HD11 LEU A 98 76.290 -6.941 -10.651 1.00 0.00 H new ATOM 0 HD12 LEU A 98 74.982 -5.760 -10.901 1.00 0.00 H new ATOM 0 HD13 LEU A 98 76.600 -5.205 -10.409 1.00 0.00 H new ATOM 0 HD21 LEU A 98 77.128 -7.407 -8.343 1.00 0.00 H new ATOM 0 HD22 LEU A 98 77.435 -5.670 -8.103 1.00 0.00 H new ATOM 0 HD23 LEU A 98 76.414 -6.562 -6.949 1.00 0.00 H new ATOM 1529 N PRO A 99 76.163 -1.456 -9.218 1.00 0.00 N ATOM 1530 CA PRO A 99 75.730 -0.190 -9.848 1.00 0.00 C ATOM 1531 C PRO A 99 74.963 -0.482 -11.141 1.00 0.00 C ATOM 1532 O PRO A 99 73.819 -0.098 -11.282 1.00 0.00 O ATOM 1533 CB PRO A 99 77.032 0.561 -10.137 1.00 0.00 C ATOM 1534 CG PRO A 99 78.154 -0.302 -9.627 1.00 0.00 C ATOM 1535 CD PRO A 99 77.560 -1.410 -8.798 1.00 0.00 C ATOM 0 HA PRO A 99 75.059 0.390 -9.214 1.00 0.00 H new ATOM 0 HB2 PRO A 99 77.142 0.747 -11.205 1.00 0.00 H new ATOM 0 HB3 PRO A 99 77.036 1.532 -9.642 1.00 0.00 H new ATOM 0 HG2 PRO A 99 78.724 -0.715 -10.459 1.00 0.00 H new ATOM 0 HG3 PRO A 99 78.847 0.290 -9.029 1.00 0.00 H new ATOM 0 HD2 PRO A 99 78.063 -2.359 -8.981 1.00 0.00 H new ATOM 0 HD3 PRO A 99 77.649 -1.203 -7.732 1.00 0.00 H new ATOM 1543 N PRO A 100 75.618 -1.161 -12.044 1.00 0.00 N ATOM 1544 CA PRO A 100 74.981 -1.512 -13.336 1.00 0.00 C ATOM 1545 C PRO A 100 73.834 -2.501 -13.105 1.00 0.00 C ATOM 1546 O PRO A 100 73.844 -3.265 -12.160 1.00 0.00 O ATOM 1547 CB PRO A 100 76.104 -2.166 -14.140 1.00 0.00 C ATOM 1548 CG PRO A 100 77.123 -2.588 -13.128 1.00 0.00 C ATOM 1549 CD PRO A 100 76.993 -1.663 -11.949 1.00 0.00 C ATOM 0 HA PRO A 100 74.553 -0.650 -13.847 1.00 0.00 H new ATOM 0 HB2 PRO A 100 75.735 -3.021 -14.706 1.00 0.00 H new ATOM 0 HB3 PRO A 100 76.531 -1.467 -14.859 1.00 0.00 H new ATOM 0 HG2 PRO A 100 76.958 -3.622 -12.825 1.00 0.00 H new ATOM 0 HG3 PRO A 100 78.127 -2.535 -13.549 1.00 0.00 H new ATOM 0 HD2 PRO A 100 77.163 -2.188 -11.009 1.00 0.00 H new ATOM 0 HD3 PRO A 100 77.719 -0.851 -11.996 1.00 0.00 H new ATOM 1557 N THR A 101 72.849 -2.493 -13.958 1.00 0.00 N ATOM 1558 CA THR A 101 71.706 -3.436 -13.783 1.00 0.00 C ATOM 1559 C THR A 101 71.164 -3.865 -15.149 1.00 0.00 C ATOM 1560 O THR A 101 69.971 -3.873 -15.381 1.00 0.00 O ATOM 1561 CB THR A 101 70.652 -2.643 -13.008 1.00 0.00 C ATOM 1562 OG1 THR A 101 70.198 -1.558 -13.805 1.00 0.00 O ATOM 1563 CG2 THR A 101 71.261 -2.108 -11.711 1.00 0.00 C ATOM 0 H THR A 101 72.784 -1.876 -14.768 1.00 0.00 H new ATOM 0 HA THR A 101 71.996 -4.346 -13.257 1.00 0.00 H new ATOM 0 HB THR A 101 69.812 -3.294 -12.768 1.00 0.00 H new ATOM 0 HG1 THR A 101 69.521 -1.050 -13.311 1.00 0.00 H new ATOM 0 HG21 THR A 101 70.508 -1.544 -11.161 1.00 0.00 H new ATOM 0 HG22 THR A 101 71.607 -2.942 -11.100 1.00 0.00 H new ATOM 0 HG23 THR A 101 72.103 -1.457 -11.946 1.00 0.00 H new ATOM 1571 N LEU A 102 72.033 -4.223 -16.054 1.00 0.00 N ATOM 1572 CA LEU A 102 71.571 -4.654 -17.406 1.00 0.00 C ATOM 1573 C LEU A 102 72.256 -5.963 -17.804 1.00 0.00 C ATOM 1574 O LEU A 102 72.719 -6.120 -18.917 1.00 0.00 O ATOM 1575 CB LEU A 102 71.996 -3.524 -18.344 1.00 0.00 C ATOM 1576 CG LEU A 102 70.989 -3.403 -19.488 1.00 0.00 C ATOM 1577 CD1 LEU A 102 70.885 -1.940 -19.924 1.00 0.00 C ATOM 1578 CD2 LEU A 102 71.457 -4.254 -20.671 1.00 0.00 C ATOM 0 H LEU A 102 73.044 -4.236 -15.917 1.00 0.00 H new ATOM 0 HA LEU A 102 70.496 -4.833 -17.440 1.00 0.00 H new ATOM 0 HB2 LEU A 102 72.053 -2.584 -17.795 1.00 0.00 H new ATOM 0 HB3 LEU A 102 72.991 -3.722 -18.741 1.00 0.00 H new ATOM 0 HG LEU A 102 70.013 -3.752 -19.151 1.00 0.00 H new ATOM 0 HD11 LEU A 102 70.167 -1.854 -20.740 1.00 0.00 H new ATOM 0 HD12 LEU A 102 70.553 -1.332 -19.082 1.00 0.00 H new ATOM 0 HD13 LEU A 102 71.861 -1.591 -20.261 1.00 0.00 H new ATOM 0 HD21 LEU A 102 70.740 -4.168 -21.487 1.00 0.00 H new ATOM 0 HD22 LEU A 102 72.433 -3.904 -21.007 1.00 0.00 H new ATOM 0 HD23 LEU A 102 71.532 -5.297 -20.362 1.00 0.00 H new ATOM 1590 N GLN A 103 72.330 -6.901 -16.903 1.00 0.00 N ATOM 1591 CA GLN A 103 72.990 -8.197 -17.227 1.00 0.00 C ATOM 1592 C GLN A 103 72.263 -8.895 -18.378 1.00 0.00 C ATOM 1593 O GLN A 103 71.109 -8.623 -18.640 1.00 0.00 O ATOM 1594 CB GLN A 103 72.885 -9.024 -15.948 1.00 0.00 C ATOM 1595 CG GLN A 103 74.284 -9.458 -15.514 1.00 0.00 C ATOM 1596 CD GLN A 103 74.384 -9.408 -13.988 1.00 0.00 C ATOM 1597 OE1 GLN A 103 74.072 -8.404 -13.380 1.00 0.00 O ATOM 1598 NE2 GLN A 103 74.811 -10.457 -13.340 1.00 0.00 N ATOM 0 H GLN A 103 71.962 -6.827 -15.955 1.00 0.00 H new ATOM 0 HA GLN A 103 74.024 -8.063 -17.544 1.00 0.00 H new ATOM 0 HB2 GLN A 103 72.412 -8.438 -15.160 1.00 0.00 H new ATOM 0 HB3 GLN A 103 72.256 -9.898 -16.117 1.00 0.00 H new ATOM 0 HG2 GLN A 103 74.490 -10.468 -15.870 1.00 0.00 H new ATOM 0 HG3 GLN A 103 75.034 -8.804 -15.960 1.00 0.00 H new ATOM 0 HE21 GLN A 103 75.073 -11.300 -13.851 1.00 0.00 H new ATOM 0 HE22 GLN A 103 74.883 -10.434 -12.323 1.00 0.00 H new ATOM 1607 N PRO A 104 72.974 -9.775 -19.029 1.00 0.00 N ATOM 1608 CA PRO A 104 72.401 -10.531 -20.172 1.00 0.00 C ATOM 1609 C PRO A 104 71.243 -11.415 -19.699 1.00 0.00 C ATOM 1610 O PRO A 104 71.413 -12.592 -19.445 1.00 0.00 O ATOM 1611 CB PRO A 104 73.565 -11.391 -20.675 1.00 0.00 C ATOM 1612 CG PRO A 104 74.797 -10.832 -20.030 1.00 0.00 C ATOM 1613 CD PRO A 104 74.365 -10.142 -18.766 1.00 0.00 C ATOM 0 HA PRO A 104 71.998 -9.880 -20.948 1.00 0.00 H new ATOM 0 HB2 PRO A 104 73.423 -12.437 -20.405 1.00 0.00 H new ATOM 0 HB3 PRO A 104 73.640 -11.350 -21.762 1.00 0.00 H new ATOM 0 HG2 PRO A 104 75.510 -11.627 -19.810 1.00 0.00 H new ATOM 0 HG3 PRO A 104 75.297 -10.131 -20.699 1.00 0.00 H new ATOM 0 HD2 PRO A 104 74.449 -10.801 -17.902 1.00 0.00 H new ATOM 0 HD3 PRO A 104 74.978 -9.265 -18.559 1.00 0.00 H new ATOM 1621 N GLU A 105 70.068 -10.861 -19.581 1.00 0.00 N ATOM 1622 CA GLU A 105 68.904 -11.672 -19.128 1.00 0.00 C ATOM 1623 C GLU A 105 68.048 -12.086 -20.327 1.00 0.00 C ATOM 1624 O GLU A 105 67.506 -13.173 -20.369 1.00 0.00 O ATOM 1625 CB GLU A 105 68.116 -10.749 -18.197 1.00 0.00 C ATOM 1626 CG GLU A 105 68.684 -10.847 -16.780 1.00 0.00 C ATOM 1627 CD GLU A 105 67.555 -10.667 -15.762 1.00 0.00 C ATOM 1628 OE1 GLU A 105 66.582 -11.398 -15.850 1.00 0.00 O ATOM 1629 OE2 GLU A 105 67.682 -9.801 -14.913 1.00 0.00 O ATOM 0 H GLU A 105 69.864 -9.881 -19.779 1.00 0.00 H new ATOM 0 HA GLU A 105 69.211 -12.590 -18.627 1.00 0.00 H new ATOM 0 HB2 GLU A 105 68.174 -9.720 -18.553 1.00 0.00 H new ATOM 0 HB3 GLU A 105 67.062 -11.028 -18.198 1.00 0.00 H new ATOM 0 HG2 GLU A 105 69.166 -11.814 -16.636 1.00 0.00 H new ATOM 0 HG3 GLU A 105 69.448 -10.084 -16.630 1.00 0.00 H new ATOM 1636 N PHE A 106 67.920 -11.227 -21.302 1.00 0.00 N ATOM 1637 CA PHE A 106 67.101 -11.570 -22.496 1.00 0.00 C ATOM 1638 C PHE A 106 68.000 -11.773 -23.718 1.00 0.00 C ATOM 1639 O PHE A 106 67.870 -11.091 -24.716 1.00 0.00 O ATOM 1640 CB PHE A 106 66.180 -10.366 -22.702 1.00 0.00 C ATOM 1641 CG PHE A 106 64.822 -10.665 -22.115 1.00 0.00 C ATOM 1642 CD1 PHE A 106 64.659 -10.735 -20.726 1.00 0.00 C ATOM 1643 CD2 PHE A 106 63.725 -10.873 -22.960 1.00 0.00 C ATOM 1644 CE1 PHE A 106 63.400 -11.011 -20.182 1.00 0.00 C ATOM 1645 CE2 PHE A 106 62.465 -11.149 -22.416 1.00 0.00 C ATOM 1646 CZ PHE A 106 62.302 -11.218 -21.027 1.00 0.00 C ATOM 0 H PHE A 106 68.349 -10.302 -21.322 1.00 0.00 H new ATOM 0 HA PHE A 106 66.541 -12.495 -22.359 1.00 0.00 H new ATOM 0 HB2 PHE A 106 66.607 -9.483 -22.227 1.00 0.00 H new ATOM 0 HB3 PHE A 106 66.087 -10.143 -23.765 1.00 0.00 H new ATOM 0 HD1 PHE A 106 65.505 -10.576 -20.074 1.00 0.00 H new ATOM 0 HD2 PHE A 106 63.851 -10.821 -24.031 1.00 0.00 H new ATOM 0 HE1 PHE A 106 63.275 -11.064 -19.111 1.00 0.00 H new ATOM 0 HE2 PHE A 106 61.619 -11.309 -23.068 1.00 0.00 H new ATOM 0 HZ PHE A 106 61.330 -11.431 -20.607 1.00 0.00 H new ATOM 1656 N ILE A 107 68.909 -12.706 -23.650 1.00 0.00 N ATOM 1657 CA ILE A 107 69.813 -12.951 -24.807 1.00 0.00 C ATOM 1658 C ILE A 107 70.042 -14.454 -24.988 1.00 0.00 C ATOM 1659 O ILE A 107 69.321 -15.120 -25.703 1.00 0.00 O ATOM 1660 CB ILE A 107 71.120 -12.244 -24.449 1.00 0.00 C ATOM 1661 CG1 ILE A 107 70.896 -10.730 -24.440 1.00 0.00 C ATOM 1662 CG2 ILE A 107 72.190 -12.592 -25.485 1.00 0.00 C ATOM 1663 CD1 ILE A 107 72.008 -10.054 -23.635 1.00 0.00 C ATOM 0 H ILE A 107 69.064 -13.309 -22.842 1.00 0.00 H new ATOM 0 HA ILE A 107 69.396 -12.579 -25.743 1.00 0.00 H new ATOM 0 HB ILE A 107 71.449 -12.570 -23.462 1.00 0.00 H new ATOM 0 HG12 ILE A 107 70.887 -10.347 -25.460 1.00 0.00 H new ATOM 0 HG13 ILE A 107 69.924 -10.498 -24.004 1.00 0.00 H new ATOM 0 HG21 ILE A 107 73.122 -12.088 -25.229 1.00 0.00 H new ATOM 0 HG22 ILE A 107 72.351 -13.670 -25.493 1.00 0.00 H new ATOM 0 HG23 ILE A 107 71.860 -12.267 -26.472 1.00 0.00 H new ATOM 0 HD11 ILE A 107 71.849 -8.976 -23.629 1.00 0.00 H new ATOM 0 HD12 ILE A 107 71.996 -10.429 -22.612 1.00 0.00 H new ATOM 0 HD13 ILE A 107 72.973 -10.275 -24.091 1.00 0.00 H new ATOM 1675 N VAL A 108 71.041 -14.994 -24.344 1.00 0.00 N ATOM 1676 CA VAL A 108 71.314 -16.451 -24.480 1.00 0.00 C ATOM 1677 C VAL A 108 70.770 -17.205 -23.264 1.00 0.00 C ATOM 1678 O VAL A 108 70.815 -16.721 -22.150 1.00 0.00 O ATOM 1679 CB VAL A 108 72.837 -16.565 -24.546 1.00 0.00 C ATOM 1680 CG1 VAL A 108 73.242 -18.040 -24.492 1.00 0.00 C ATOM 1681 CG2 VAL A 108 73.336 -15.946 -25.853 1.00 0.00 C ATOM 0 H VAL A 108 71.679 -14.488 -23.730 1.00 0.00 H new ATOM 0 HA VAL A 108 70.836 -16.881 -25.360 1.00 0.00 H new ATOM 0 HB VAL A 108 73.279 -16.037 -23.701 1.00 0.00 H new ATOM 0 HG11 VAL A 108 74.328 -18.121 -24.539 1.00 0.00 H new ATOM 0 HG12 VAL A 108 72.885 -18.481 -23.561 1.00 0.00 H new ATOM 0 HG13 VAL A 108 72.802 -18.569 -25.337 1.00 0.00 H new ATOM 0 HG21 VAL A 108 74.422 -16.026 -25.902 1.00 0.00 H new ATOM 0 HG22 VAL A 108 72.894 -16.475 -26.698 1.00 0.00 H new ATOM 0 HG23 VAL A 108 73.048 -14.896 -25.891 1.00 0.00 H new ATOM 1691 N THR A 109 70.252 -18.386 -23.468 1.00 0.00 N ATOM 1692 CA THR A 109 69.705 -19.168 -22.322 1.00 0.00 C ATOM 1693 C THR A 109 70.844 -19.649 -21.417 1.00 0.00 C ATOM 1694 O THR A 109 70.760 -19.579 -20.207 1.00 0.00 O ATOM 1695 CB THR A 109 68.987 -20.358 -22.960 1.00 0.00 C ATOM 1696 OG1 THR A 109 69.943 -21.212 -23.572 1.00 0.00 O ATOM 1697 CG2 THR A 109 67.999 -19.855 -24.013 1.00 0.00 C ATOM 0 H THR A 109 70.184 -18.843 -24.377 1.00 0.00 H new ATOM 0 HA THR A 109 69.035 -18.574 -21.700 1.00 0.00 H new ATOM 0 HB THR A 109 68.445 -20.911 -22.193 1.00 0.00 H new ATOM 0 HG1 THR A 109 70.278 -21.855 -22.912 1.00 0.00 H new ATOM 0 HG21 THR A 109 67.488 -20.704 -24.467 1.00 0.00 H new ATOM 0 HG22 THR A 109 67.266 -19.200 -23.541 1.00 0.00 H new ATOM 0 HG23 THR A 109 68.538 -19.302 -24.782 1.00 0.00 H new ATOM 1705 N ASP A 110 71.907 -20.136 -21.996 1.00 0.00 N ATOM 1706 CA ASP A 110 73.049 -20.622 -21.169 1.00 0.00 C ATOM 1707 C ASP A 110 74.378 -20.264 -21.842 1.00 0.00 C ATOM 1708 O ASP A 110 74.499 -20.503 -23.032 1.00 0.00 O ATOM 1709 CB ASP A 110 72.875 -22.139 -21.101 1.00 0.00 C ATOM 1710 CG ASP A 110 72.764 -22.704 -22.518 1.00 0.00 C ATOM 1711 OD1 ASP A 110 73.776 -22.751 -23.198 1.00 0.00 O ATOM 1712 OD2 ASP A 110 71.667 -23.080 -22.902 1.00 0.00 O ATOM 1713 OXT ASP A 110 75.251 -19.760 -21.154 1.00 0.00 O ATOM 0 H ASP A 110 72.035 -20.219 -23.005 1.00 0.00 H new ATOM 0 HA ASP A 110 73.062 -20.170 -20.177 1.00 0.00 H new ATOM 0 HB2 ASP A 110 73.722 -22.590 -20.584 1.00 0.00 H new ATOM 0 HB3 ASP A 110 71.982 -22.388 -20.528 1.00 0.00 H new TER 1718 ASP A 110 HETATM 1719 CA CA A 111 75.103 -0.037 8.767 1.00 0.00 CA