USER MOD reduce.3.24.130724 H: found=0, std=0, add=916, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 910 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 NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 50 HIS :FLIP no HD1:sc= -4.03 F(o=-6!,f=-4) USER MOD Set 2.1: A 46 MET CE :methyl -158:sc= -0.183 (180deg=-0.791) USER MOD Set 2.2: A 74 MET CE :methyl -130:sc= -1.64! (180deg=-1.95) USER MOD Set 3.1: A 36 LYS NZ :NH3+ -162:sc= -0.31 (180deg=-0.756) USER MOD Set 3.2: A 42 ASN : amide:sc= -0.0137 X(o=-0.32,f=-0.52) USER MOD Single : A 1 GLY N :NH3+ 140:sc= 0.00927 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.00923 USER MOD Single : A 5 SER OG : rot 25:sc= 0.371 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -2.64! X(o=-2.6!,f=-3.1) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 HIS : no HE2:sc= -3.33 K(o=-3.3,f=-6.3!) USER MOD Single : A 16 THR OG1 : rot 120:sc= -0.275 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 150:sc= -0.043 USER MOD Single : A 33 SER OG : rot 79:sc= 0.49 USER MOD Single : A 35 CYS SG : rot -77:sc= 0.532 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot -60:sc= 0.0374 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -177:sc= 1.05 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -3.92! C(o=-3.9!,f=-4.6!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.825! X(o=-0.82!,f=-0.76) USER MOD Single : A 70 THR OG1 : rot 133:sc= 0.694 USER MOD Single : A 73 TYR OH : rot 165:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -3.3! C(o=-3.3!,f=-5.1!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0.185 K(o=0.19,f=-1.9!) USER MOD Single : A 85 LYS NZ :NH3+ 164:sc= 1.22 (180deg=0.855) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00143) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.838 F(o=-1.6,f=-0.84) USER MOD Single : A 107 TYR OH : rot -29:sc= -0.0606 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 45:sc= 0.926 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.242 40.190 29.767 1.00 0.00 N ATOM 2 CA GLY A 1 -19.003 39.296 28.649 1.00 0.00 C ATOM 3 C GLY A 1 -18.881 37.848 29.080 1.00 0.00 C ATOM 4 O GLY A 1 -18.310 37.552 30.130 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.692 41.063 29.637 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.254 40.423 29.815 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.951 39.726 30.651 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.818 39.391 27.931 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.090 39.597 28.136 1.00 0.00 H new ATOM 8 N SER A 2 -19.420 36.943 28.269 1.00 0.00 N ATOM 9 CA SER A 2 -19.373 35.518 28.575 1.00 0.00 C ATOM 10 C SER A 2 -17.950 34.983 28.456 1.00 0.00 C ATOM 11 O SER A 2 -17.163 35.456 27.636 1.00 0.00 O ATOM 12 CB SER A 2 -20.302 34.743 27.638 1.00 0.00 C ATOM 13 OG SER A 2 -19.730 34.613 26.348 1.00 0.00 O ATOM 0 H SER A 2 -19.894 37.171 27.395 1.00 0.00 H new ATOM 0 HA SER A 2 -19.709 35.381 29.603 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.501 33.755 28.053 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.261 35.256 27.564 1.00 0.00 H new ATOM 0 HG SER A 2 -20.341 34.113 25.768 1.00 0.00 H new ATOM 19 N SER A 3 -17.625 33.993 29.282 1.00 0.00 N ATOM 20 CA SER A 3 -16.296 33.395 29.273 1.00 0.00 C ATOM 21 C SER A 3 -16.189 32.323 28.193 1.00 0.00 C ATOM 22 O SER A 3 -15.107 32.055 27.673 1.00 0.00 O ATOM 23 CB SER A 3 -15.976 32.790 30.642 1.00 0.00 C ATOM 24 OG SER A 3 -17.026 31.946 31.084 1.00 0.00 O ATOM 0 H SER A 3 -18.265 33.589 29.966 1.00 0.00 H new ATOM 0 HA SER A 3 -15.573 34.181 29.053 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.048 32.221 30.584 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.816 33.588 31.367 1.00 0.00 H new ATOM 0 HG SER A 3 -16.797 31.570 31.960 1.00 0.00 H new ATOM 30 N GLY A 4 -17.322 31.712 27.861 1.00 0.00 N ATOM 31 CA GLY A 4 -17.336 30.676 26.845 1.00 0.00 C ATOM 32 C GLY A 4 -16.412 29.522 27.181 1.00 0.00 C ATOM 33 O GLY A 4 -15.483 29.672 27.974 1.00 0.00 O ATOM 0 H GLY A 4 -18.230 31.916 28.278 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.353 30.301 26.727 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.042 31.106 25.888 1.00 0.00 H new ATOM 37 N SER A 5 -16.668 28.366 26.577 1.00 0.00 N ATOM 38 CA SER A 5 -15.855 27.180 26.821 1.00 0.00 C ATOM 39 C SER A 5 -14.615 27.179 25.933 1.00 0.00 C ATOM 40 O SER A 5 -14.712 27.314 24.713 1.00 0.00 O ATOM 41 CB SER A 5 -16.676 25.913 26.572 1.00 0.00 C ATOM 42 OG SER A 5 -17.058 25.812 25.211 1.00 0.00 O ATOM 0 H SER A 5 -17.432 28.225 25.915 1.00 0.00 H new ATOM 0 HA SER A 5 -15.534 27.198 27.863 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.093 25.037 26.855 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.565 25.922 27.203 1.00 0.00 H new ATOM 0 HG SER A 5 -16.427 26.317 24.656 1.00 0.00 H new ATOM 48 N SER A 6 -13.450 27.026 26.554 1.00 0.00 N ATOM 49 CA SER A 6 -12.189 27.011 25.821 1.00 0.00 C ATOM 50 C SER A 6 -11.827 25.593 25.392 1.00 0.00 C ATOM 51 O SER A 6 -12.039 24.635 26.134 1.00 0.00 O ATOM 52 CB SER A 6 -11.068 27.599 26.681 1.00 0.00 C ATOM 53 OG SER A 6 -10.875 26.834 27.858 1.00 0.00 O ATOM 0 H SER A 6 -13.353 26.911 27.563 1.00 0.00 H new ATOM 0 HA SER A 6 -12.309 27.622 24.927 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.142 27.629 26.107 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.311 28.628 26.948 1.00 0.00 H new ATOM 0 HG SER A 6 -10.153 27.229 28.390 1.00 0.00 H new ATOM 59 N GLY A 7 -11.278 25.467 24.188 1.00 0.00 N ATOM 60 CA GLY A 7 -10.894 24.163 23.680 1.00 0.00 C ATOM 61 C GLY A 7 -9.632 24.215 22.842 1.00 0.00 C ATOM 62 O GLY A 7 -9.350 25.224 22.196 1.00 0.00 O ATOM 0 H GLY A 7 -11.092 26.245 23.555 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.743 23.481 24.517 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.708 23.756 23.080 1.00 0.00 H new ATOM 66 N GLU A 8 -8.869 23.127 22.855 1.00 0.00 N ATOM 67 CA GLU A 8 -7.628 23.055 22.093 1.00 0.00 C ATOM 68 C GLU A 8 -7.308 21.613 21.709 1.00 0.00 C ATOM 69 O GLU A 8 -7.153 20.737 22.560 1.00 0.00 O ATOM 70 CB GLU A 8 -6.472 23.647 22.901 1.00 0.00 C ATOM 71 CG GLU A 8 -5.106 23.386 22.290 1.00 0.00 C ATOM 72 CD GLU A 8 -3.992 24.113 23.018 1.00 0.00 C ATOM 73 OE1 GLU A 8 -3.948 24.035 24.264 1.00 0.00 O ATOM 74 OE2 GLU A 8 -3.165 24.761 22.343 1.00 0.00 O ATOM 0 H GLU A 8 -9.088 22.283 23.385 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.759 23.636 21.180 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.619 24.723 22.995 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -6.495 23.233 23.909 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.905 22.315 22.303 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.115 23.696 21.245 1.00 0.00 H new ATOM 81 N PRO A 9 -7.208 21.360 20.395 1.00 0.00 N ATOM 82 CA PRO A 9 -6.906 20.026 19.867 1.00 0.00 C ATOM 83 C PRO A 9 -5.472 19.598 20.159 1.00 0.00 C ATOM 84 O PRO A 9 -4.531 20.074 19.525 1.00 0.00 O ATOM 85 CB PRO A 9 -7.121 20.184 18.360 1.00 0.00 C ATOM 86 CG PRO A 9 -6.901 21.634 18.096 1.00 0.00 C ATOM 87 CD PRO A 9 -7.381 22.356 19.325 1.00 0.00 C ATOM 0 HA PRO A 9 -7.530 19.257 20.322 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.422 19.568 17.794 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.125 19.877 18.069 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.847 21.841 17.908 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.452 21.958 17.213 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.797 23.256 19.516 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.422 22.666 19.229 1.00 0.00 H new ATOM 95 N ALA A 10 -5.313 18.696 21.122 1.00 0.00 N ATOM 96 CA ALA A 10 -3.993 18.202 21.496 1.00 0.00 C ATOM 97 C ALA A 10 -3.153 17.892 20.262 1.00 0.00 C ATOM 98 O ALA A 10 -3.687 17.685 19.171 1.00 0.00 O ATOM 99 CB ALA A 10 -4.122 16.966 22.374 1.00 0.00 C ATOM 0 H ALA A 10 -6.082 18.292 21.657 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.486 18.984 22.061 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.129 16.608 22.646 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.677 17.218 23.278 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.652 16.186 21.828 1.00 0.00 H new ATOM 105 N HIS A 11 -1.837 17.862 20.440 1.00 0.00 N ATOM 106 CA HIS A 11 -0.922 17.577 19.340 1.00 0.00 C ATOM 107 C HIS A 11 -1.153 16.172 18.792 1.00 0.00 C ATOM 108 O HIS A 11 -1.128 15.955 17.581 1.00 0.00 O ATOM 109 CB HIS A 11 0.528 17.726 19.802 1.00 0.00 C ATOM 110 CG HIS A 11 1.017 16.569 20.618 1.00 0.00 C ATOM 111 ND1 HIS A 11 0.488 16.239 21.848 1.00 0.00 N ATOM 112 CD2 HIS A 11 1.992 15.663 20.374 1.00 0.00 C ATOM 113 CE1 HIS A 11 1.118 15.180 22.326 1.00 0.00 C ATOM 114 NE2 HIS A 11 2.035 14.811 21.450 1.00 0.00 N ATOM 0 H HIS A 11 -1.379 18.032 21.336 1.00 0.00 H new ATOM 0 HA HIS A 11 -1.116 18.295 18.543 1.00 0.00 H new ATOM 0 HB2 HIS A 11 1.169 17.841 18.928 1.00 0.00 H new ATOM 0 HB3 HIS A 11 0.622 18.640 20.389 1.00 0.00 H new ATOM 0 HD2 HIS A 11 2.620 15.618 19.496 1.00 0.00 H new ATOM 0 HE1 HIS A 11 0.917 14.698 23.272 1.00 0.00 H new ATOM 0 HE2 HIS A 11 2.672 14.021 21.556 1.00 0.00 H new ATOM 122 N GLY A 12 -1.377 15.220 19.693 1.00 0.00 N ATOM 123 CA GLY A 12 -1.607 13.848 19.280 1.00 0.00 C ATOM 124 C GLY A 12 -0.321 13.056 19.156 1.00 0.00 C ATOM 125 O GLY A 12 0.772 13.623 19.197 1.00 0.00 O ATOM 0 H GLY A 12 -1.403 15.374 20.701 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.262 13.360 20.001 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.127 13.843 18.322 1.00 0.00 H new ATOM 129 N ARG A 13 -0.449 11.742 19.006 1.00 0.00 N ATOM 130 CA ARG A 13 0.713 10.870 18.879 1.00 0.00 C ATOM 131 C ARG A 13 0.856 10.360 17.448 1.00 0.00 C ATOM 132 O ARG A 13 -0.133 10.204 16.734 1.00 0.00 O ATOM 133 CB ARG A 13 0.599 9.688 19.844 1.00 0.00 C ATOM 134 CG ARG A 13 1.925 9.002 20.126 1.00 0.00 C ATOM 135 CD ARG A 13 2.768 9.799 21.109 1.00 0.00 C ATOM 136 NE ARG A 13 2.102 9.955 22.400 1.00 0.00 N ATOM 137 CZ ARG A 13 2.743 10.244 23.527 1.00 0.00 C ATOM 138 NH1 ARG A 13 4.058 10.409 23.522 1.00 0.00 N ATOM 139 NH2 ARG A 13 2.067 10.370 24.662 1.00 0.00 N ATOM 0 H ARG A 13 -1.346 11.257 18.969 1.00 0.00 H new ATOM 0 HA ARG A 13 1.601 11.451 19.130 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.173 10.038 20.785 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.097 8.958 19.431 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.742 8.005 20.527 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.475 8.874 19.194 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.726 9.299 21.253 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.981 10.782 20.690 1.00 0.00 H new ATOM 0 HE ARG A 13 1.090 9.835 22.438 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.581 10.314 22.651 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.547 10.631 24.389 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.055 10.245 24.669 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.560 10.592 25.527 1.00 0.00 H new ATOM 153 N GLN A 14 2.094 10.103 17.039 1.00 0.00 N ATOM 154 CA GLN A 14 2.366 9.612 15.693 1.00 0.00 C ATOM 155 C GLN A 14 1.397 8.497 15.314 1.00 0.00 C ATOM 156 O GLN A 14 1.363 7.446 15.955 1.00 0.00 O ATOM 157 CB GLN A 14 3.807 9.108 15.593 1.00 0.00 C ATOM 158 CG GLN A 14 4.348 9.090 14.172 1.00 0.00 C ATOM 159 CD GLN A 14 5.851 9.274 14.117 1.00 0.00 C ATOM 160 OE1 GLN A 14 6.347 10.396 14.007 1.00 0.00 O ATOM 161 NE2 GLN A 14 6.587 8.172 14.195 1.00 0.00 N ATOM 0 H GLN A 14 2.924 10.226 17.619 1.00 0.00 H new ATOM 0 HA GLN A 14 2.229 10.439 14.997 1.00 0.00 H new ATOM 0 HB2 GLN A 14 4.448 9.739 16.209 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.860 8.101 16.006 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.084 8.144 13.699 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.868 9.880 13.595 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.135 7.262 14.285 1.00 0.00 H new ATOM 0 HE22 GLN A 14 7.605 8.235 14.165 1.00 0.00 H new ATOM 170 N HIS A 15 0.611 8.733 14.269 1.00 0.00 N ATOM 171 CA HIS A 15 -0.359 7.747 13.804 1.00 0.00 C ATOM 172 C HIS A 15 -0.809 8.057 12.380 1.00 0.00 C ATOM 173 O HIS A 15 -0.945 9.221 11.999 1.00 0.00 O ATOM 174 CB HIS A 15 -1.570 7.713 14.738 1.00 0.00 C ATOM 175 CG HIS A 15 -1.310 7.001 16.030 1.00 0.00 C ATOM 176 ND1 HIS A 15 -1.062 7.660 17.215 1.00 0.00 N ATOM 177 CD2 HIS A 15 -1.262 5.680 16.318 1.00 0.00 C ATOM 178 CE1 HIS A 15 -0.871 6.775 18.177 1.00 0.00 C ATOM 179 NE2 HIS A 15 -0.987 5.566 17.659 1.00 0.00 N ATOM 0 H HIS A 15 0.626 9.598 13.728 1.00 0.00 H new ATOM 0 HA HIS A 15 0.123 6.769 13.809 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -1.882 8.735 14.952 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.400 7.227 14.226 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -1.031 8.673 17.331 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.412 4.867 15.623 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -0.657 7.002 19.211 1.00 0.00 H new ATOM 187 N THR A 16 -1.038 7.009 11.595 1.00 0.00 N ATOM 188 CA THR A 16 -1.470 7.169 10.212 1.00 0.00 C ATOM 189 C THR A 16 -2.762 6.404 9.948 1.00 0.00 C ATOM 190 O THR A 16 -2.853 5.197 10.172 1.00 0.00 O ATOM 191 CB THR A 16 -0.389 6.686 9.226 1.00 0.00 C ATOM 192 OG1 THR A 16 -0.812 6.928 7.880 1.00 0.00 O ATOM 193 CG2 THR A 16 -0.107 5.204 9.417 1.00 0.00 C ATOM 0 H THR A 16 -0.931 6.040 11.894 1.00 0.00 H new ATOM 0 HA THR A 16 -1.643 8.234 10.056 1.00 0.00 H new ATOM 0 HB THR A 16 0.528 7.242 9.423 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.172 7.525 7.438 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.659 4.885 8.710 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.242 5.028 10.434 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.020 4.635 9.243 1.00 0.00 H new ATOM 201 N PRO A 17 -3.785 7.120 9.459 1.00 0.00 N ATOM 202 CA PRO A 17 -5.090 6.527 9.152 1.00 0.00 C ATOM 203 C PRO A 17 -5.035 5.598 7.944 1.00 0.00 C ATOM 204 O PRO A 17 -4.140 5.705 7.105 1.00 0.00 O ATOM 205 CB PRO A 17 -5.970 7.743 8.851 1.00 0.00 C ATOM 206 CG PRO A 17 -5.018 8.797 8.399 1.00 0.00 C ATOM 207 CD PRO A 17 -3.746 8.563 9.167 1.00 0.00 C ATOM 0 HA PRO A 17 -5.459 5.908 9.970 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.706 7.518 8.080 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.522 8.061 9.736 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.843 8.731 7.325 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.416 9.793 8.596 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.867 8.831 8.580 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.713 9.157 10.080 1.00 0.00 H new ATOM 215 N CYS A 18 -5.998 4.685 7.861 1.00 0.00 N ATOM 216 CA CYS A 18 -6.060 3.736 6.756 1.00 0.00 C ATOM 217 C CYS A 18 -6.548 4.417 5.481 1.00 0.00 C ATOM 218 O CYS A 18 -7.232 5.441 5.533 1.00 0.00 O ATOM 219 CB CYS A 18 -6.984 2.569 7.110 1.00 0.00 C ATOM 220 SG CYS A 18 -6.863 1.153 5.970 1.00 0.00 S ATOM 0 H CYS A 18 -6.746 4.583 8.547 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.054 3.354 6.581 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.753 2.230 8.120 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.014 2.926 7.122 1.00 0.00 H new ATOM 225 N LEU A 19 -6.192 3.843 4.337 1.00 0.00 N ATOM 226 CA LEU A 19 -6.594 4.394 3.047 1.00 0.00 C ATOM 227 C LEU A 19 -8.054 4.070 2.748 1.00 0.00 C ATOM 228 O LEU A 19 -8.812 4.930 2.298 1.00 0.00 O ATOM 229 CB LEU A 19 -5.699 3.844 1.935 1.00 0.00 C ATOM 230 CG LEU A 19 -4.197 3.844 2.220 1.00 0.00 C ATOM 231 CD1 LEU A 19 -3.803 5.084 3.008 1.00 0.00 C ATOM 232 CD2 LEU A 19 -3.796 2.583 2.971 1.00 0.00 C ATOM 0 H LEU A 19 -5.626 2.997 4.276 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.484 5.477 3.091 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.008 2.821 1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.877 4.427 1.031 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.666 3.860 1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.730 5.067 3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.054 5.975 2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.342 5.100 3.955 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.724 2.601 3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.335 2.536 3.917 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.042 1.708 2.370 1.00 0.00 H new ATOM 244 N PHE A 20 -8.443 2.825 3.002 1.00 0.00 N ATOM 245 CA PHE A 20 -9.813 2.388 2.761 1.00 0.00 C ATOM 246 C PHE A 20 -10.729 2.812 3.906 1.00 0.00 C ATOM 247 O PHE A 20 -11.804 3.368 3.683 1.00 0.00 O ATOM 248 CB PHE A 20 -9.864 0.869 2.589 1.00 0.00 C ATOM 249 CG PHE A 20 -8.972 0.360 1.493 1.00 0.00 C ATOM 250 CD1 PHE A 20 -9.412 0.336 0.179 1.00 0.00 C ATOM 251 CD2 PHE A 20 -7.694 -0.093 1.775 1.00 0.00 C ATOM 252 CE1 PHE A 20 -8.594 -0.132 -0.832 1.00 0.00 C ATOM 253 CE2 PHE A 20 -6.871 -0.562 0.769 1.00 0.00 C ATOM 254 CZ PHE A 20 -7.321 -0.581 -0.537 1.00 0.00 C ATOM 0 H PHE A 20 -7.829 2.101 3.375 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.163 2.863 1.844 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.579 0.395 3.528 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -10.891 0.569 2.380 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -10.406 0.687 -0.058 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.336 -0.080 2.794 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.950 -0.147 -1.852 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -5.877 -0.913 1.003 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.679 -0.946 -1.325 1.00 0.00 H new ATOM 264 N CYS A 21 -10.294 2.545 5.133 1.00 0.00 N ATOM 265 CA CYS A 21 -11.073 2.896 6.315 1.00 0.00 C ATOM 266 C CYS A 21 -10.414 4.041 7.079 1.00 0.00 C ATOM 267 O CYS A 21 -9.400 4.588 6.647 1.00 0.00 O ATOM 268 CB CYS A 21 -11.229 1.680 7.229 1.00 0.00 C ATOM 269 SG CYS A 21 -9.697 1.195 8.089 1.00 0.00 S ATOM 0 H CYS A 21 -9.406 2.086 5.335 1.00 0.00 H new ATOM 0 HA CYS A 21 -12.060 3.222 5.986 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.998 1.893 7.972 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -11.583 0.836 6.636 1.00 0.00 H new ATOM 274 N ASP A 22 -10.998 4.396 8.219 1.00 0.00 N ATOM 275 CA ASP A 22 -10.468 5.474 9.045 1.00 0.00 C ATOM 276 C ASP A 22 -9.802 4.920 10.301 1.00 0.00 C ATOM 277 O ASP A 22 -10.017 5.424 11.403 1.00 0.00 O ATOM 278 CB ASP A 22 -11.584 6.446 9.432 1.00 0.00 C ATOM 279 CG ASP A 22 -12.557 6.692 8.295 1.00 0.00 C ATOM 280 OD1 ASP A 22 -12.172 6.472 7.127 1.00 0.00 O ATOM 281 OD2 ASP A 22 -13.703 7.104 8.573 1.00 0.00 O ATOM 0 H ASP A 22 -11.838 3.953 8.591 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.717 6.008 8.462 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.126 6.049 10.291 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.145 7.394 9.742 1.00 0.00 H new ATOM 286 N ARG A 23 -8.996 3.878 10.126 1.00 0.00 N ATOM 287 CA ARG A 23 -8.301 3.253 11.245 1.00 0.00 C ATOM 288 C ARG A 23 -6.885 3.804 11.381 1.00 0.00 C ATOM 289 O ARG A 23 -6.091 3.746 10.441 1.00 0.00 O ATOM 290 CB ARG A 23 -8.253 1.735 11.060 1.00 0.00 C ATOM 291 CG ARG A 23 -9.583 1.048 11.322 1.00 0.00 C ATOM 292 CD ARG A 23 -9.496 -0.449 11.068 1.00 0.00 C ATOM 293 NE ARG A 23 -10.620 -1.171 11.659 1.00 0.00 N ATOM 294 CZ ARG A 23 -10.701 -1.476 12.949 1.00 0.00 C ATOM 295 NH1 ARG A 23 -9.729 -1.123 13.780 1.00 0.00 N ATOM 296 NH2 ARG A 23 -11.756 -2.134 13.412 1.00 0.00 N ATOM 0 H ARG A 23 -8.808 3.449 9.220 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.852 3.484 12.157 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.932 1.511 10.043 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.501 1.319 11.730 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.889 1.226 12.353 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.351 1.483 10.682 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.471 -0.634 9.994 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.562 -0.833 11.479 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.385 -1.457 11.047 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.917 -0.616 13.429 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.794 -1.359 14.770 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.506 -2.406 12.777 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.817 -2.368 14.403 1.00 0.00 H new ATOM 310 N LEU A 24 -6.575 4.339 12.557 1.00 0.00 N ATOM 311 CA LEU A 24 -5.254 4.901 12.818 1.00 0.00 C ATOM 312 C LEU A 24 -4.279 3.817 13.264 1.00 0.00 C ATOM 313 O LEU A 24 -4.646 2.902 14.001 1.00 0.00 O ATOM 314 CB LEU A 24 -5.344 5.993 13.885 1.00 0.00 C ATOM 315 CG LEU A 24 -5.961 7.319 13.439 1.00 0.00 C ATOM 316 CD1 LEU A 24 -6.218 8.219 14.638 1.00 0.00 C ATOM 317 CD2 LEU A 24 -5.059 8.015 12.430 1.00 0.00 C ATOM 0 H LEU A 24 -7.220 4.396 13.345 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.883 5.338 11.891 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.926 5.608 14.722 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.340 6.191 14.260 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.916 7.109 12.958 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.657 9.158 14.301 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.904 7.723 15.325 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.277 8.422 15.149 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.514 8.957 12.124 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.088 8.212 12.885 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.927 7.375 11.557 1.00 0.00 H new ATOM 329 N PHE A 25 -3.033 3.927 12.815 1.00 0.00 N ATOM 330 CA PHE A 25 -2.004 2.957 13.169 1.00 0.00 C ATOM 331 C PHE A 25 -0.702 3.658 13.547 1.00 0.00 C ATOM 332 O PHE A 25 -0.280 4.605 12.884 1.00 0.00 O ATOM 333 CB PHE A 25 -1.759 1.994 12.006 1.00 0.00 C ATOM 334 CG PHE A 25 -2.978 1.214 11.606 1.00 0.00 C ATOM 335 CD1 PHE A 25 -3.904 1.752 10.726 1.00 0.00 C ATOM 336 CD2 PHE A 25 -3.199 -0.058 12.110 1.00 0.00 C ATOM 337 CE1 PHE A 25 -5.027 1.036 10.358 1.00 0.00 C ATOM 338 CE2 PHE A 25 -4.321 -0.779 11.745 1.00 0.00 C ATOM 339 CZ PHE A 25 -5.235 -0.231 10.867 1.00 0.00 C ATOM 0 H PHE A 25 -2.712 4.679 12.205 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.355 2.391 14.032 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.401 2.560 11.146 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.967 1.298 12.282 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.746 2.742 10.324 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.486 -0.491 12.796 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.742 1.467 9.673 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.482 -1.769 12.146 1.00 0.00 H new ATOM 0 HZ PHE A 25 -6.111 -0.792 10.579 1.00 0.00 H new ATOM 349 N ALA A 26 -0.071 3.185 14.617 1.00 0.00 N ATOM 350 CA ALA A 26 1.183 3.765 15.082 1.00 0.00 C ATOM 351 C ALA A 26 2.148 3.989 13.923 1.00 0.00 C ATOM 352 O ALA A 26 2.674 5.087 13.744 1.00 0.00 O ATOM 353 CB ALA A 26 1.819 2.870 16.136 1.00 0.00 C ATOM 0 H ALA A 26 -0.408 2.402 15.178 1.00 0.00 H new ATOM 0 HA ALA A 26 0.963 4.735 15.529 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.755 3.315 16.475 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.140 2.765 16.982 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.019 1.888 15.707 1.00 0.00 H new ATOM 359 N SER A 27 2.377 2.941 13.138 1.00 0.00 N ATOM 360 CA SER A 27 3.283 3.022 11.999 1.00 0.00 C ATOM 361 C SER A 27 2.568 2.635 10.708 1.00 0.00 C ATOM 362 O SER A 27 1.378 2.320 10.715 1.00 0.00 O ATOM 363 CB SER A 27 4.494 2.113 12.217 1.00 0.00 C ATOM 364 OG SER A 27 5.260 2.543 13.329 1.00 0.00 O ATOM 0 H SER A 27 1.947 2.026 13.270 1.00 0.00 H new ATOM 0 HA SER A 27 3.624 4.053 11.910 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.159 1.088 12.376 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.116 2.110 11.322 1.00 0.00 H new ATOM 0 HG SER A 27 6.027 1.945 13.449 1.00 0.00 H new ATOM 370 N ALA A 28 3.303 2.660 9.601 1.00 0.00 N ATOM 371 CA ALA A 28 2.741 2.310 8.302 1.00 0.00 C ATOM 372 C ALA A 28 2.528 0.805 8.184 1.00 0.00 C ATOM 373 O ALA A 28 1.432 0.348 7.864 1.00 0.00 O ATOM 374 CB ALA A 28 3.647 2.806 7.185 1.00 0.00 C ATOM 0 H ALA A 28 4.289 2.919 9.578 1.00 0.00 H new ATOM 0 HA ALA A 28 1.770 2.796 8.210 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.216 2.538 6.221 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.745 3.890 7.250 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.630 2.346 7.283 1.00 0.00 H new ATOM 380 N GLU A 29 3.584 0.040 8.444 1.00 0.00 N ATOM 381 CA GLU A 29 3.512 -1.414 8.364 1.00 0.00 C ATOM 382 C GLU A 29 2.235 -1.932 9.021 1.00 0.00 C ATOM 383 O GLU A 29 1.558 -2.806 8.481 1.00 0.00 O ATOM 384 CB GLU A 29 4.734 -2.045 9.033 1.00 0.00 C ATOM 385 CG GLU A 29 6.045 -1.718 8.338 1.00 0.00 C ATOM 386 CD GLU A 29 7.256 -2.111 9.162 1.00 0.00 C ATOM 387 OE1 GLU A 29 7.507 -3.325 9.308 1.00 0.00 O ATOM 388 OE2 GLU A 29 7.953 -1.202 9.661 1.00 0.00 O ATOM 0 H GLU A 29 4.499 0.403 8.712 1.00 0.00 H new ATOM 0 HA GLU A 29 3.498 -1.694 7.311 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.787 -1.706 10.068 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.606 -3.127 9.058 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.081 -2.233 7.378 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.084 -0.649 8.128 1.00 0.00 H new ATOM 395 N GLU A 30 1.914 -1.385 10.189 1.00 0.00 N ATOM 396 CA GLU A 30 0.720 -1.792 10.920 1.00 0.00 C ATOM 397 C GLU A 30 -0.516 -1.719 10.028 1.00 0.00 C ATOM 398 O GLU A 30 -1.347 -2.628 10.021 1.00 0.00 O ATOM 399 CB GLU A 30 0.524 -0.909 12.154 1.00 0.00 C ATOM 400 CG GLU A 30 1.264 -1.409 13.384 1.00 0.00 C ATOM 401 CD GLU A 30 0.643 -2.662 13.970 1.00 0.00 C ATOM 402 OE1 GLU A 30 -0.564 -2.630 14.290 1.00 0.00 O ATOM 403 OE2 GLU A 30 1.362 -3.672 14.110 1.00 0.00 O ATOM 0 H GLU A 30 2.464 -0.659 10.649 1.00 0.00 H new ATOM 0 HA GLU A 30 0.856 -2.825 11.239 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.860 0.102 11.924 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.540 -0.847 12.381 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.302 -1.612 13.121 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.274 -0.625 14.141 1.00 0.00 H new ATOM 410 N THR A 31 -0.631 -0.629 9.275 1.00 0.00 N ATOM 411 CA THR A 31 -1.765 -0.435 8.380 1.00 0.00 C ATOM 412 C THR A 31 -1.751 -1.453 7.246 1.00 0.00 C ATOM 413 O THR A 31 -2.702 -2.214 7.070 1.00 0.00 O ATOM 414 CB THR A 31 -1.771 0.984 7.781 1.00 0.00 C ATOM 415 OG1 THR A 31 -1.272 1.923 8.740 1.00 0.00 O ATOM 416 CG2 THR A 31 -3.175 1.386 7.354 1.00 0.00 C ATOM 0 H THR A 31 0.047 0.133 9.267 1.00 0.00 H new ATOM 0 HA THR A 31 -2.666 -0.573 8.977 1.00 0.00 H new ATOM 0 HB THR A 31 -1.127 0.985 6.902 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.833 2.665 8.274 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.154 2.392 6.934 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.541 0.687 6.602 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.838 1.368 8.219 1.00 0.00 H new ATOM 424 N PHE A 32 -0.667 -1.462 6.478 1.00 0.00 N ATOM 425 CA PHE A 32 -0.529 -2.387 5.360 1.00 0.00 C ATOM 426 C PHE A 32 -0.970 -3.793 5.759 1.00 0.00 C ATOM 427 O PHE A 32 -1.810 -4.402 5.099 1.00 0.00 O ATOM 428 CB PHE A 32 0.920 -2.415 4.868 1.00 0.00 C ATOM 429 CG PHE A 32 1.406 -1.088 4.360 1.00 0.00 C ATOM 430 CD1 PHE A 32 0.620 -0.326 3.511 1.00 0.00 C ATOM 431 CD2 PHE A 32 2.649 -0.603 4.732 1.00 0.00 C ATOM 432 CE1 PHE A 32 1.066 0.895 3.042 1.00 0.00 C ATOM 433 CE2 PHE A 32 3.100 0.618 4.266 1.00 0.00 C ATOM 434 CZ PHE A 32 2.307 1.368 3.421 1.00 0.00 C ATOM 0 H PHE A 32 0.129 -0.838 6.610 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.173 -2.039 4.552 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.566 -2.742 5.683 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.011 -3.155 4.073 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.352 -0.690 3.212 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.273 -1.185 5.394 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.444 1.479 2.379 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.072 0.985 4.563 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.656 2.323 3.057 1.00 0.00 H new ATOM 444 N SER A 33 -0.395 -4.300 6.845 1.00 0.00 N ATOM 445 CA SER A 33 -0.724 -5.635 7.331 1.00 0.00 C ATOM 446 C SER A 33 -2.209 -5.741 7.665 1.00 0.00 C ATOM 447 O SER A 33 -2.823 -6.794 7.490 1.00 0.00 O ATOM 448 CB SER A 33 0.113 -5.972 8.567 1.00 0.00 C ATOM 449 OG SER A 33 1.493 -5.772 8.317 1.00 0.00 O ATOM 0 H SER A 33 0.301 -3.807 7.405 1.00 0.00 H new ATOM 0 HA SER A 33 -0.495 -6.349 6.540 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.202 -5.350 9.404 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.061 -7.008 8.857 1.00 0.00 H new ATOM 0 HG SER A 33 1.702 -4.817 8.382 1.00 0.00 H new ATOM 455 N HIS A 34 -2.781 -4.641 8.146 1.00 0.00 N ATOM 456 CA HIS A 34 -4.194 -4.609 8.504 1.00 0.00 C ATOM 457 C HIS A 34 -5.073 -4.716 7.261 1.00 0.00 C ATOM 458 O HIS A 34 -6.101 -5.393 7.273 1.00 0.00 O ATOM 459 CB HIS A 34 -4.520 -3.322 9.264 1.00 0.00 C ATOM 460 CG HIS A 34 -5.923 -2.842 9.054 1.00 0.00 C ATOM 461 ND1 HIS A 34 -7.020 -3.449 9.629 1.00 0.00 N ATOM 462 CD2 HIS A 34 -6.406 -1.806 8.330 1.00 0.00 C ATOM 463 CE1 HIS A 34 -8.116 -2.808 9.266 1.00 0.00 C ATOM 464 NE2 HIS A 34 -7.771 -1.806 8.477 1.00 0.00 N ATOM 0 H HIS A 34 -2.288 -3.761 8.296 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.400 -5.465 9.147 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.357 -3.487 10.329 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.827 -2.540 8.953 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -6.989 -4.266 10.239 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.825 -1.108 7.745 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -9.123 -3.060 9.564 1.00 0.00 H new ATOM 472 N CYS A 35 -4.660 -4.044 6.192 1.00 0.00 N ATOM 473 CA CYS A 35 -5.411 -4.063 4.941 1.00 0.00 C ATOM 474 C CYS A 35 -5.257 -5.406 4.235 1.00 0.00 C ATOM 475 O CYS A 35 -6.113 -5.807 3.446 1.00 0.00 O ATOM 476 CB CYS A 35 -4.940 -2.934 4.023 1.00 0.00 C ATOM 477 SG CYS A 35 -4.796 -1.328 4.842 1.00 0.00 S ATOM 0 H CYS A 35 -3.811 -3.480 6.166 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.465 -3.915 5.176 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.971 -3.203 3.602 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.636 -2.844 3.189 1.00 0.00 H new ATOM 0 HG CYS A 35 -5.978 -0.807 4.986 1.00 0.00 H new ATOM 483 N LYS A 36 -4.160 -6.098 4.524 1.00 0.00 N ATOM 484 CA LYS A 36 -3.892 -7.397 3.917 1.00 0.00 C ATOM 485 C LYS A 36 -4.731 -8.488 4.574 1.00 0.00 C ATOM 486 O LYS A 36 -4.886 -9.581 4.028 1.00 0.00 O ATOM 487 CB LYS A 36 -2.406 -7.741 4.034 1.00 0.00 C ATOM 488 CG LYS A 36 -1.503 -6.824 3.227 1.00 0.00 C ATOM 489 CD LYS A 36 -0.051 -6.951 3.657 1.00 0.00 C ATOM 490 CE LYS A 36 0.724 -5.671 3.383 1.00 0.00 C ATOM 491 NZ LYS A 36 1.321 -5.666 2.019 1.00 0.00 N ATOM 0 H LYS A 36 -3.442 -5.781 5.175 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.163 -7.340 2.863 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.113 -7.695 5.083 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.253 -8.769 3.705 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.592 -7.065 2.168 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.830 -5.791 3.348 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.004 -7.186 4.720 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.416 -7.781 3.127 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.060 -4.814 3.492 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.514 -5.559 4.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.074 -4.950 1.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.722 -6.603 1.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.585 -5.442 1.319 1.00 0.00 H new ATOM 505 N LEU A 37 -5.272 -8.184 5.749 1.00 0.00 N ATOM 506 CA LEU A 37 -6.098 -9.139 6.481 1.00 0.00 C ATOM 507 C LEU A 37 -7.580 -8.870 6.245 1.00 0.00 C ATOM 508 O LEU A 37 -8.361 -9.795 6.024 1.00 0.00 O ATOM 509 CB LEU A 37 -5.787 -9.070 7.977 1.00 0.00 C ATOM 510 CG LEU A 37 -4.343 -9.376 8.377 1.00 0.00 C ATOM 511 CD1 LEU A 37 -4.020 -8.754 9.727 1.00 0.00 C ATOM 512 CD2 LEU A 37 -4.106 -10.879 8.410 1.00 0.00 C ATOM 0 H LEU A 37 -5.154 -7.284 6.215 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.867 -10.139 6.114 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.038 -8.071 8.334 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.443 -9.769 8.497 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.679 -8.940 7.631 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.988 -8.982 9.995 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.150 -7.673 9.670 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.690 -9.160 10.485 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.073 -11.078 8.696 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.779 -11.338 9.135 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.296 -11.299 7.422 1.00 0.00 H new ATOM 524 N GLU A 38 -7.960 -7.597 6.292 1.00 0.00 N ATOM 525 CA GLU A 38 -9.350 -7.207 6.082 1.00 0.00 C ATOM 526 C GLU A 38 -9.600 -6.850 4.619 1.00 0.00 C ATOM 527 O GLU A 38 -10.390 -7.502 3.936 1.00 0.00 O ATOM 528 CB GLU A 38 -9.710 -6.019 6.977 1.00 0.00 C ATOM 529 CG GLU A 38 -9.606 -6.322 8.462 1.00 0.00 C ATOM 530 CD GLU A 38 -10.818 -7.061 8.993 1.00 0.00 C ATOM 531 OE1 GLU A 38 -11.945 -6.743 8.559 1.00 0.00 O ATOM 532 OE2 GLU A 38 -10.640 -7.959 9.843 1.00 0.00 O ATOM 0 H GLU A 38 -7.326 -6.819 6.473 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.982 -8.055 6.344 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.053 -5.183 6.739 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.727 -5.699 6.750 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.712 -6.919 8.645 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.485 -5.389 9.012 1.00 0.00 H new ATOM 539 N HIS A 39 -8.920 -5.810 4.145 1.00 0.00 N ATOM 540 CA HIS A 39 -9.068 -5.366 2.764 1.00 0.00 C ATOM 541 C HIS A 39 -8.313 -6.289 1.813 1.00 0.00 C ATOM 542 O HIS A 39 -8.277 -6.055 0.605 1.00 0.00 O ATOM 543 CB HIS A 39 -8.561 -3.931 2.610 1.00 0.00 C ATOM 544 CG HIS A 39 -9.155 -2.977 3.601 1.00 0.00 C ATOM 545 ND1 HIS A 39 -10.483 -3.007 3.971 1.00 0.00 N ATOM 546 CD2 HIS A 39 -8.593 -1.963 4.299 1.00 0.00 C ATOM 547 CE1 HIS A 39 -10.713 -2.051 4.854 1.00 0.00 C ATOM 548 NE2 HIS A 39 -9.582 -1.404 5.071 1.00 0.00 N ATOM 0 H HIS A 39 -8.262 -5.260 4.697 1.00 0.00 H new ATOM 0 HA HIS A 39 -10.127 -5.398 2.510 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.476 -3.924 2.716 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.785 -3.581 1.602 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -11.179 -3.664 3.618 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -7.560 -1.651 4.257 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.664 -1.835 5.319 1.00 0.00 H new ATOM 556 N GLN A 40 -7.711 -7.337 2.366 1.00 0.00 N ATOM 557 CA GLN A 40 -6.956 -8.294 1.566 1.00 0.00 C ATOM 558 C GLN A 40 -6.249 -7.598 0.408 1.00 0.00 C ATOM 559 O GLN A 40 -6.073 -8.177 -0.664 1.00 0.00 O ATOM 560 CB GLN A 40 -7.883 -9.387 1.031 1.00 0.00 C ATOM 561 CG GLN A 40 -9.035 -8.852 0.195 1.00 0.00 C ATOM 562 CD GLN A 40 -10.123 -9.885 -0.027 1.00 0.00 C ATOM 563 OE1 GLN A 40 -11.221 -9.773 0.517 1.00 0.00 O ATOM 564 NE2 GLN A 40 -9.822 -10.898 -0.831 1.00 0.00 N ATOM 0 H GLN A 40 -7.731 -7.545 3.364 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.201 -8.749 2.207 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -7.300 -10.083 0.428 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -8.286 -9.953 1.871 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -9.463 -7.979 0.689 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -8.654 -8.518 -0.770 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.899 -10.951 -1.261 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -10.514 -11.623 -1.019 1.00 0.00 H new ATOM 573 N PHE A 41 -5.847 -6.351 0.630 1.00 0.00 N ATOM 574 CA PHE A 41 -5.161 -5.574 -0.395 1.00 0.00 C ATOM 575 C PHE A 41 -3.705 -5.328 -0.008 1.00 0.00 C ATOM 576 O PHE A 41 -3.419 -4.798 1.064 1.00 0.00 O ATOM 577 CB PHE A 41 -5.874 -4.239 -0.617 1.00 0.00 C ATOM 578 CG PHE A 41 -4.979 -3.165 -1.165 1.00 0.00 C ATOM 579 CD1 PHE A 41 -4.251 -2.350 -0.313 1.00 0.00 C ATOM 580 CD2 PHE A 41 -4.865 -2.970 -2.532 1.00 0.00 C ATOM 581 CE1 PHE A 41 -3.426 -1.361 -0.814 1.00 0.00 C ATOM 582 CE2 PHE A 41 -4.041 -1.982 -3.038 1.00 0.00 C ATOM 583 CZ PHE A 41 -3.322 -1.176 -2.178 1.00 0.00 C ATOM 0 H PHE A 41 -5.985 -5.857 1.512 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.181 -6.146 -1.322 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -6.707 -4.391 -1.303 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -6.297 -3.901 0.329 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.329 -2.489 0.755 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.426 -3.597 -3.210 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.863 -0.733 -0.139 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.960 -1.841 -4.106 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.679 -0.402 -2.572 1.00 0.00 H new ATOM 593 N ASN A 42 -2.791 -5.718 -0.890 1.00 0.00 N ATOM 594 CA ASN A 42 -1.365 -5.542 -0.641 1.00 0.00 C ATOM 595 C ASN A 42 -0.853 -4.261 -1.294 1.00 0.00 C ATOM 596 O ASN A 42 -1.243 -3.924 -2.412 1.00 0.00 O ATOM 597 CB ASN A 42 -0.581 -6.745 -1.169 1.00 0.00 C ATOM 598 CG ASN A 42 -0.953 -8.033 -0.460 1.00 0.00 C ATOM 599 OD1 ASN A 42 -2.001 -8.621 -0.726 1.00 0.00 O ATOM 600 ND2 ASN A 42 -0.093 -8.478 0.448 1.00 0.00 N ATOM 0 H ASN A 42 -3.012 -6.158 -1.783 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.217 -5.465 0.436 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.766 -6.855 -2.238 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.487 -6.562 -1.047 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.289 -9.340 0.957 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.764 -7.958 0.637 1.00 0.00 H new ATOM 607 N ILE A 43 0.023 -3.553 -0.589 1.00 0.00 N ATOM 608 CA ILE A 43 0.589 -2.311 -1.101 1.00 0.00 C ATOM 609 C ILE A 43 1.803 -2.583 -1.982 1.00 0.00 C ATOM 610 O ILE A 43 2.046 -1.873 -2.958 1.00 0.00 O ATOM 611 CB ILE A 43 1.000 -1.367 0.044 1.00 0.00 C ATOM 612 CG1 ILE A 43 1.532 -0.048 -0.521 1.00 0.00 C ATOM 613 CG2 ILE A 43 2.045 -2.030 0.929 1.00 0.00 C ATOM 614 CD1 ILE A 43 0.458 0.827 -1.128 1.00 0.00 C ATOM 0 H ILE A 43 0.356 -3.818 0.338 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.188 -1.831 -1.696 1.00 0.00 H new ATOM 0 HB ILE A 43 0.121 -1.153 0.652 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.031 0.504 0.275 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.284 -0.264 -1.279 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.325 -1.350 1.733 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.634 -2.945 1.354 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.926 -2.270 0.334 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.908 1.744 -1.508 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.026 0.294 -1.946 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.283 1.074 -0.368 1.00 0.00 H new ATOM 626 N ASP A 44 2.562 -3.616 -1.633 1.00 0.00 N ATOM 627 CA ASP A 44 3.750 -3.984 -2.394 1.00 0.00 C ATOM 628 C ASP A 44 3.384 -4.353 -3.828 1.00 0.00 C ATOM 629 O ASP A 44 3.976 -3.845 -4.780 1.00 0.00 O ATOM 630 CB ASP A 44 4.470 -5.154 -1.721 1.00 0.00 C ATOM 631 CG ASP A 44 3.536 -6.307 -1.409 1.00 0.00 C ATOM 632 OD1 ASP A 44 2.831 -6.238 -0.380 1.00 0.00 O ATOM 633 OD2 ASP A 44 3.509 -7.277 -2.193 1.00 0.00 O ATOM 0 H ASP A 44 2.375 -4.213 -0.828 1.00 0.00 H new ATOM 0 HA ASP A 44 4.417 -3.122 -2.419 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.272 -5.505 -2.371 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.936 -4.808 -0.798 1.00 0.00 H new ATOM 638 N SER A 45 2.405 -5.241 -3.974 1.00 0.00 N ATOM 639 CA SER A 45 1.964 -5.682 -5.292 1.00 0.00 C ATOM 640 C SER A 45 1.738 -4.489 -6.216 1.00 0.00 C ATOM 641 O SER A 45 2.092 -4.527 -7.394 1.00 0.00 O ATOM 642 CB SER A 45 0.677 -6.502 -5.174 1.00 0.00 C ATOM 643 OG SER A 45 -0.371 -5.728 -4.618 1.00 0.00 O ATOM 0 H SER A 45 1.903 -5.669 -3.196 1.00 0.00 H new ATOM 0 HA SER A 45 2.747 -6.308 -5.720 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.382 -6.866 -6.158 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.856 -7.378 -4.551 1.00 0.00 H new ATOM 0 HG SER A 45 -0.111 -5.418 -3.725 1.00 0.00 H new ATOM 649 N MET A 46 1.144 -3.432 -5.673 1.00 0.00 N ATOM 650 CA MET A 46 0.871 -2.227 -6.447 1.00 0.00 C ATOM 651 C MET A 46 2.168 -1.582 -6.924 1.00 0.00 C ATOM 652 O MET A 46 2.285 -1.181 -8.082 1.00 0.00 O ATOM 653 CB MET A 46 0.068 -1.228 -5.612 1.00 0.00 C ATOM 654 CG MET A 46 -1.165 -1.833 -4.961 1.00 0.00 C ATOM 655 SD MET A 46 -2.326 -2.507 -6.165 1.00 0.00 S ATOM 656 CE MET A 46 -2.616 -1.072 -7.196 1.00 0.00 C ATOM 0 H MET A 46 0.842 -3.385 -4.700 1.00 0.00 H new ATOM 0 HA MET A 46 0.285 -2.512 -7.320 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.712 -0.814 -4.836 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.238 -0.398 -6.249 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.859 -2.623 -4.276 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.667 -1.071 -4.365 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.564 -1.187 -7.722 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.652 -0.178 -6.573 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.808 -0.976 -7.922 1.00 0.00 H new ATOM 666 N VAL A 47 3.141 -1.484 -6.024 1.00 0.00 N ATOM 667 CA VAL A 47 4.431 -0.888 -6.353 1.00 0.00 C ATOM 668 C VAL A 47 5.083 -1.604 -7.530 1.00 0.00 C ATOM 669 O VAL A 47 5.594 -0.968 -8.453 1.00 0.00 O ATOM 670 CB VAL A 47 5.390 -0.925 -5.149 1.00 0.00 C ATOM 671 CG1 VAL A 47 6.734 -0.314 -5.517 1.00 0.00 C ATOM 672 CG2 VAL A 47 4.777 -0.205 -3.957 1.00 0.00 C ATOM 0 H VAL A 47 3.061 -1.810 -5.061 1.00 0.00 H new ATOM 0 HA VAL A 47 4.240 0.150 -6.624 1.00 0.00 H new ATOM 0 HB VAL A 47 5.555 -1.966 -4.871 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.398 -0.349 -4.654 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.177 -0.877 -6.339 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.591 0.722 -5.823 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.468 -0.241 -3.115 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.581 0.834 -4.221 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.842 -0.692 -3.680 1.00 0.00 H new ATOM 682 N HIS A 48 5.061 -2.933 -7.493 1.00 0.00 N ATOM 683 CA HIS A 48 5.649 -3.737 -8.559 1.00 0.00 C ATOM 684 C HIS A 48 4.797 -3.672 -9.822 1.00 0.00 C ATOM 685 O HIS A 48 5.316 -3.505 -10.926 1.00 0.00 O ATOM 686 CB HIS A 48 5.800 -5.189 -8.106 1.00 0.00 C ATOM 687 CG HIS A 48 6.922 -5.401 -7.136 1.00 0.00 C ATOM 688 ND1 HIS A 48 8.184 -5.802 -7.521 1.00 0.00 N ATOM 689 CD2 HIS A 48 6.966 -5.263 -5.790 1.00 0.00 C ATOM 690 CE1 HIS A 48 8.956 -5.903 -6.453 1.00 0.00 C ATOM 691 NE2 HIS A 48 8.241 -5.581 -5.390 1.00 0.00 N ATOM 0 H HIS A 48 4.643 -3.475 -6.737 1.00 0.00 H new ATOM 0 HA HIS A 48 6.634 -3.330 -8.786 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.867 -5.517 -7.647 1.00 0.00 H new ATOM 0 HB3 HIS A 48 5.963 -5.819 -8.981 1.00 0.00 H new ATOM 0 HD2 HIS A 48 6.151 -4.959 -5.150 1.00 0.00 H new ATOM 0 HE1 HIS A 48 9.995 -6.199 -6.450 1.00 0.00 H new ATOM 0 HE2 HIS A 48 8.581 -5.570 -4.428 1.00 0.00 H new ATOM 699 N LYS A 49 3.486 -3.806 -9.654 1.00 0.00 N ATOM 700 CA LYS A 49 2.560 -3.762 -10.779 1.00 0.00 C ATOM 701 C LYS A 49 2.844 -2.557 -11.670 1.00 0.00 C ATOM 702 O LYS A 49 3.326 -2.703 -12.794 1.00 0.00 O ATOM 703 CB LYS A 49 1.116 -3.709 -10.277 1.00 0.00 C ATOM 704 CG LYS A 49 0.114 -4.323 -11.240 1.00 0.00 C ATOM 705 CD LYS A 49 -0.281 -3.343 -12.332 1.00 0.00 C ATOM 706 CE LYS A 49 -1.401 -3.898 -13.199 1.00 0.00 C ATOM 707 NZ LYS A 49 -1.421 -3.270 -14.549 1.00 0.00 N ATOM 0 H LYS A 49 3.040 -3.946 -8.747 1.00 0.00 H new ATOM 0 HA LYS A 49 2.700 -4.669 -11.368 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.053 -4.228 -9.321 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.842 -2.670 -10.094 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.542 -5.218 -11.691 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.775 -4.636 -10.692 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.600 -2.403 -11.881 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.586 -3.120 -12.954 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.280 -4.976 -13.302 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.359 -3.730 -12.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.198 -3.675 -15.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.562 -2.244 -14.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.517 -3.452 -15.030 1.00 0.00 H new ATOM 721 N HIS A 50 2.545 -1.366 -11.161 1.00 0.00 N ATOM 722 CA HIS A 50 2.770 -0.135 -11.911 1.00 0.00 C ATOM 723 C HIS A 50 4.166 0.418 -11.639 1.00 0.00 C ATOM 724 O HIS A 50 4.419 1.608 -11.823 1.00 0.00 O ATOM 725 CB HIS A 50 1.715 0.909 -11.547 1.00 0.00 C ATOM 726 CG HIS A 50 0.310 0.399 -11.640 1.00 0.00 C ATOM 727 ND1 HIS A 50 -0.621 0.186 -10.680 1.00 0.00 N flip ATOM 728 CD2 HIS A 50 -0.283 0.041 -12.833 1.00 0.00 C flip ATOM 729 CE1 HIS A 50 -1.747 -0.291 -11.304 1.00 0.00 C flip ATOM 730 NE2 HIS A 50 -1.518 -0.369 -12.602 1.00 0.00 N flip ATOM 0 H HIS A 50 2.146 -1.227 -10.232 1.00 0.00 H new ATOM 0 HA HIS A 50 2.690 -0.365 -12.973 1.00 0.00 H new ATOM 0 HB2 HIS A 50 1.899 1.260 -10.532 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.825 1.770 -12.207 1.00 0.00 H new ATOM 0 HD2 HIS A 50 0.188 0.088 -13.804 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -2.671 -0.559 -10.813 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -2.181 -0.691 -13.307 1.00 0.00 H new ATOM 738 N GLY A 51 5.068 -0.454 -11.200 1.00 0.00 N ATOM 739 CA GLY A 51 6.426 -0.033 -10.910 1.00 0.00 C ATOM 740 C GLY A 51 6.481 1.324 -10.237 1.00 0.00 C ATOM 741 O GLY A 51 7.330 2.154 -10.565 1.00 0.00 O ATOM 0 H GLY A 51 4.883 -1.444 -11.040 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.903 -0.773 -10.268 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.998 0.001 -11.837 1.00 0.00 H new ATOM 745 N LEU A 52 5.574 1.552 -9.293 1.00 0.00 N ATOM 746 CA LEU A 52 5.522 2.819 -8.573 1.00 0.00 C ATOM 747 C LEU A 52 6.908 3.225 -8.082 1.00 0.00 C ATOM 748 O LEU A 52 7.548 2.493 -7.328 1.00 0.00 O ATOM 749 CB LEU A 52 4.559 2.715 -7.388 1.00 0.00 C ATOM 750 CG LEU A 52 3.139 2.254 -7.716 1.00 0.00 C ATOM 751 CD1 LEU A 52 2.336 2.052 -6.441 1.00 0.00 C ATOM 752 CD2 LEU A 52 2.450 3.257 -8.629 1.00 0.00 C ATOM 0 H LEU A 52 4.865 0.876 -9.009 1.00 0.00 H new ATOM 0 HA LEU A 52 5.162 3.585 -9.261 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.984 2.025 -6.659 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.501 3.691 -6.906 1.00 0.00 H new ATOM 0 HG LEU A 52 3.199 1.299 -8.238 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.328 1.724 -6.694 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.819 1.296 -5.823 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.284 2.992 -5.891 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.440 2.912 -8.852 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.401 4.227 -8.133 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.014 3.352 -9.557 1.00 0.00 H new ATOM 764 N GLU A 53 7.364 4.396 -8.515 1.00 0.00 N ATOM 765 CA GLU A 53 8.674 4.899 -8.118 1.00 0.00 C ATOM 766 C GLU A 53 8.570 5.754 -6.858 1.00 0.00 C ATOM 767 O GLU A 53 7.486 5.930 -6.302 1.00 0.00 O ATOM 768 CB GLU A 53 9.296 5.716 -9.252 1.00 0.00 C ATOM 769 CG GLU A 53 9.832 4.866 -10.392 1.00 0.00 C ATOM 770 CD GLU A 53 9.862 5.613 -11.711 1.00 0.00 C ATOM 771 OE1 GLU A 53 9.987 6.855 -11.689 1.00 0.00 O ATOM 772 OE2 GLU A 53 9.762 4.953 -12.767 1.00 0.00 O ATOM 0 H GLU A 53 6.846 5.014 -9.140 1.00 0.00 H new ATOM 0 HA GLU A 53 9.314 4.043 -7.903 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.548 6.405 -9.644 1.00 0.00 H new ATOM 0 HB3 GLU A 53 10.108 6.322 -8.849 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.839 4.529 -10.147 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.214 3.974 -10.497 1.00 0.00 H new ATOM 779 N PHE A 54 9.705 6.281 -6.413 1.00 0.00 N ATOM 780 CA PHE A 54 9.743 7.116 -5.218 1.00 0.00 C ATOM 781 C PHE A 54 8.484 7.971 -5.111 1.00 0.00 C ATOM 782 O PHE A 54 7.785 7.942 -4.098 1.00 0.00 O ATOM 783 CB PHE A 54 10.982 8.014 -5.236 1.00 0.00 C ATOM 784 CG PHE A 54 10.956 9.093 -4.192 1.00 0.00 C ATOM 785 CD1 PHE A 54 11.330 8.820 -2.886 1.00 0.00 C ATOM 786 CD2 PHE A 54 10.557 10.379 -4.516 1.00 0.00 C ATOM 787 CE1 PHE A 54 11.308 9.811 -1.922 1.00 0.00 C ATOM 788 CE2 PHE A 54 10.534 11.374 -3.557 1.00 0.00 C ATOM 789 CZ PHE A 54 10.908 11.090 -2.258 1.00 0.00 C ATOM 0 H PHE A 54 10.611 6.145 -6.862 1.00 0.00 H new ATOM 0 HA PHE A 54 9.791 6.460 -4.349 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.869 7.398 -5.088 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.073 8.474 -6.220 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.642 7.822 -2.618 1.00 0.00 H new ATOM 0 HD2 PHE A 54 10.261 10.607 -5.529 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.603 9.586 -0.908 1.00 0.00 H new ATOM 0 HE2 PHE A 54 10.224 12.374 -3.823 1.00 0.00 H new ATOM 0 HZ PHE A 54 10.888 11.866 -1.507 1.00 0.00 H new ATOM 799 N TYR A 55 8.202 8.731 -6.163 1.00 0.00 N ATOM 800 CA TYR A 55 7.029 9.597 -6.188 1.00 0.00 C ATOM 801 C TYR A 55 5.773 8.804 -6.537 1.00 0.00 C ATOM 802 O TYR A 55 4.738 8.939 -5.885 1.00 0.00 O ATOM 803 CB TYR A 55 7.226 10.730 -7.196 1.00 0.00 C ATOM 804 CG TYR A 55 8.041 11.884 -6.658 1.00 0.00 C ATOM 805 CD1 TYR A 55 7.519 12.740 -5.696 1.00 0.00 C ATOM 806 CD2 TYR A 55 9.333 12.119 -7.111 1.00 0.00 C ATOM 807 CE1 TYR A 55 8.259 13.797 -5.202 1.00 0.00 C ATOM 808 CE2 TYR A 55 10.082 13.172 -6.622 1.00 0.00 C ATOM 809 CZ TYR A 55 9.540 14.008 -5.668 1.00 0.00 C ATOM 810 OH TYR A 55 10.281 15.059 -5.177 1.00 0.00 O ATOM 0 H TYR A 55 8.770 8.765 -7.010 1.00 0.00 H new ATOM 0 HA TYR A 55 6.903 10.023 -5.193 1.00 0.00 H new ATOM 0 HB2 TYR A 55 7.716 10.333 -8.085 1.00 0.00 H new ATOM 0 HB3 TYR A 55 6.250 11.100 -7.509 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.517 12.576 -5.328 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.760 11.467 -7.859 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.837 14.454 -4.456 1.00 0.00 H new ATOM 0 HE2 TYR A 55 11.085 13.340 -6.984 1.00 0.00 H new ATOM 0 HH TYR A 55 11.161 15.068 -5.607 1.00 0.00 H new ATOM 820 N GLY A 56 5.874 7.973 -7.570 1.00 0.00 N ATOM 821 CA GLY A 56 4.741 7.169 -7.989 1.00 0.00 C ATOM 822 C GLY A 56 3.938 6.644 -6.816 1.00 0.00 C ATOM 823 O GLY A 56 2.725 6.844 -6.745 1.00 0.00 O ATOM 0 H GLY A 56 6.720 7.842 -8.124 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.093 7.766 -8.631 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.096 6.330 -8.587 1.00 0.00 H new ATOM 827 N TYR A 57 4.614 5.968 -5.893 1.00 0.00 N ATOM 828 CA TYR A 57 3.955 5.408 -4.719 1.00 0.00 C ATOM 829 C TYR A 57 3.217 6.492 -3.940 1.00 0.00 C ATOM 830 O TYR A 57 2.083 6.294 -3.501 1.00 0.00 O ATOM 831 CB TYR A 57 4.978 4.720 -3.814 1.00 0.00 C ATOM 832 CG TYR A 57 4.499 4.535 -2.392 1.00 0.00 C ATOM 833 CD1 TYR A 57 3.788 3.400 -2.020 1.00 0.00 C ATOM 834 CD2 TYR A 57 4.757 5.494 -1.420 1.00 0.00 C ATOM 835 CE1 TYR A 57 3.348 3.226 -0.722 1.00 0.00 C ATOM 836 CE2 TYR A 57 4.322 5.328 -0.119 1.00 0.00 C ATOM 837 CZ TYR A 57 3.618 4.193 0.225 1.00 0.00 C ATOM 838 OH TYR A 57 3.182 4.024 1.519 1.00 0.00 O ATOM 0 H TYR A 57 5.618 5.795 -5.935 1.00 0.00 H new ATOM 0 HA TYR A 57 3.227 4.671 -5.059 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.226 3.746 -4.235 1.00 0.00 H new ATOM 0 HB3 TYR A 57 5.897 5.307 -3.806 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.576 2.641 -2.758 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.307 6.385 -1.686 1.00 0.00 H new ATOM 0 HE1 TYR A 57 2.796 2.338 -0.450 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.532 6.083 0.624 1.00 0.00 H new ATOM 0 HH TYR A 57 3.413 4.816 2.048 1.00 0.00 H new ATOM 848 N ILE A 58 3.868 7.639 -3.773 1.00 0.00 N ATOM 849 CA ILE A 58 3.274 8.755 -3.049 1.00 0.00 C ATOM 850 C ILE A 58 1.873 9.064 -3.567 1.00 0.00 C ATOM 851 O ILE A 58 0.943 9.274 -2.788 1.00 0.00 O ATOM 852 CB ILE A 58 4.141 10.023 -3.160 1.00 0.00 C ATOM 853 CG1 ILE A 58 5.536 9.765 -2.588 1.00 0.00 C ATOM 854 CG2 ILE A 58 3.474 11.186 -2.440 1.00 0.00 C ATOM 855 CD1 ILE A 58 6.472 10.946 -2.720 1.00 0.00 C ATOM 0 H ILE A 58 4.807 7.819 -4.129 1.00 0.00 H new ATOM 0 HA ILE A 58 3.214 8.456 -2.003 1.00 0.00 H new ATOM 0 HB ILE A 58 4.243 10.284 -4.213 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.444 9.500 -1.535 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.975 8.906 -3.095 1.00 0.00 H new ATOM 0 HG21 ILE A 58 4.099 12.075 -2.528 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.500 11.382 -2.889 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.344 10.936 -1.387 1.00 0.00 H new ATOM 0 HD11 ILE A 58 7.442 10.691 -2.293 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.594 11.198 -3.774 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.056 11.802 -2.188 1.00 0.00 H new ATOM 867 N LYS A 59 1.729 9.088 -4.888 1.00 0.00 N ATOM 868 CA LYS A 59 0.441 9.368 -5.512 1.00 0.00 C ATOM 869 C LYS A 59 -0.563 8.261 -5.207 1.00 0.00 C ATOM 870 O LYS A 59 -1.761 8.516 -5.073 1.00 0.00 O ATOM 871 CB LYS A 59 0.607 9.517 -7.026 1.00 0.00 C ATOM 872 CG LYS A 59 1.639 10.558 -7.425 1.00 0.00 C ATOM 873 CD LYS A 59 1.685 10.748 -8.932 1.00 0.00 C ATOM 874 CE LYS A 59 2.871 11.603 -9.350 1.00 0.00 C ATOM 875 NZ LYS A 59 2.931 11.786 -10.827 1.00 0.00 N ATOM 0 H LYS A 59 2.488 8.917 -5.547 1.00 0.00 H new ATOM 0 HA LYS A 59 0.061 10.303 -5.100 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.893 8.554 -7.448 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.355 9.784 -7.464 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.404 11.508 -6.945 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.622 10.254 -7.065 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.746 9.776 -9.421 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.760 11.217 -9.269 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.805 12.577 -8.866 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.794 11.137 -9.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.753 12.374 -11.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.020 10.858 -11.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.062 12.253 -11.154 1.00 0.00 H new ATOM 889 N LEU A 60 -0.068 7.034 -5.097 1.00 0.00 N ATOM 890 CA LEU A 60 -0.923 5.888 -4.805 1.00 0.00 C ATOM 891 C LEU A 60 -1.609 6.050 -3.452 1.00 0.00 C ATOM 892 O LEU A 60 -2.824 5.886 -3.338 1.00 0.00 O ATOM 893 CB LEU A 60 -0.102 4.597 -4.822 1.00 0.00 C ATOM 894 CG LEU A 60 -0.887 3.300 -4.624 1.00 0.00 C ATOM 895 CD1 LEU A 60 -1.158 3.060 -3.147 1.00 0.00 C ATOM 896 CD2 LEU A 60 -2.190 3.340 -5.408 1.00 0.00 C ATOM 0 H LEU A 60 0.920 6.806 -5.205 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.691 5.834 -5.576 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.425 4.538 -5.774 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.656 4.662 -4.042 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.285 2.473 -5.001 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.718 2.133 -3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.212 2.986 -2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.739 3.890 -2.744 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.735 2.409 -5.255 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.797 4.177 -5.063 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.973 3.463 -6.469 1.00 0.00 H new ATOM 908 N ILE A 61 -0.823 6.375 -2.432 1.00 0.00 N ATOM 909 CA ILE A 61 -1.355 6.563 -1.088 1.00 0.00 C ATOM 910 C ILE A 61 -2.430 7.645 -1.068 1.00 0.00 C ATOM 911 O ILE A 61 -3.605 7.362 -0.844 1.00 0.00 O ATOM 912 CB ILE A 61 -0.245 6.941 -0.090 1.00 0.00 C ATOM 913 CG1 ILE A 61 0.825 5.847 -0.046 1.00 0.00 C ATOM 914 CG2 ILE A 61 -0.832 7.170 1.295 1.00 0.00 C ATOM 915 CD1 ILE A 61 0.279 4.481 0.305 1.00 0.00 C ATOM 0 H ILE A 61 0.184 6.514 -2.510 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.794 5.612 -0.788 1.00 0.00 H new ATOM 0 HB ILE A 61 0.222 7.868 -0.423 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.318 5.794 -1.016 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.586 6.124 0.684 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.035 7.436 1.989 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.561 7.979 1.252 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.322 6.259 1.638 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.093 3.756 0.318 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.189 4.518 1.289 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.461 4.183 -0.438 1.00 0.00 H new ATOM 927 N ASN A 62 -2.017 8.886 -1.308 1.00 0.00 N ATOM 928 CA ASN A 62 -2.944 10.011 -1.319 1.00 0.00 C ATOM 929 C ASN A 62 -4.125 9.733 -2.245 1.00 0.00 C ATOM 930 O ASN A 62 -5.268 10.064 -1.928 1.00 0.00 O ATOM 931 CB ASN A 62 -2.225 11.287 -1.761 1.00 0.00 C ATOM 932 CG ASN A 62 -1.208 11.760 -0.740 1.00 0.00 C ATOM 933 OD1 ASN A 62 -1.439 11.678 0.466 1.00 0.00 O ATOM 934 ND2 ASN A 62 -0.075 12.259 -1.221 1.00 0.00 N ATOM 0 H ASN A 62 -1.047 9.137 -1.497 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.323 10.148 -0.306 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.724 11.108 -2.713 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.959 12.075 -1.930 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.647 12.594 -0.582 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.074 12.308 -2.229 1.00 0.00 H new ATOM 941 N PHE A 63 -3.841 9.123 -3.391 1.00 0.00 N ATOM 942 CA PHE A 63 -4.879 8.800 -4.363 1.00 0.00 C ATOM 943 C PHE A 63 -6.065 8.119 -3.687 1.00 0.00 C ATOM 944 O PHE A 63 -7.219 8.478 -3.925 1.00 0.00 O ATOM 945 CB PHE A 63 -4.315 7.896 -5.461 1.00 0.00 C ATOM 946 CG PHE A 63 -5.374 7.180 -6.249 1.00 0.00 C ATOM 947 CD1 PHE A 63 -6.139 7.858 -7.184 1.00 0.00 C ATOM 948 CD2 PHE A 63 -5.605 5.827 -6.055 1.00 0.00 C ATOM 949 CE1 PHE A 63 -7.114 7.202 -7.912 1.00 0.00 C ATOM 950 CE2 PHE A 63 -6.578 5.165 -6.780 1.00 0.00 C ATOM 951 CZ PHE A 63 -7.334 5.854 -7.708 1.00 0.00 C ATOM 0 H PHE A 63 -2.901 8.842 -3.669 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.225 9.732 -4.811 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.711 8.497 -6.141 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.650 7.160 -5.009 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.972 8.913 -7.346 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.018 5.284 -5.329 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.702 7.742 -8.639 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.747 4.110 -6.621 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.096 5.339 -8.274 1.00 0.00 H new ATOM 961 N ILE A 64 -5.772 7.135 -2.843 1.00 0.00 N ATOM 962 CA ILE A 64 -6.814 6.404 -2.132 1.00 0.00 C ATOM 963 C ILE A 64 -7.447 7.267 -1.047 1.00 0.00 C ATOM 964 O ILE A 64 -8.578 7.021 -0.625 1.00 0.00 O ATOM 965 CB ILE A 64 -6.261 5.117 -1.492 1.00 0.00 C ATOM 966 CG1 ILE A 64 -5.572 4.251 -2.549 1.00 0.00 C ATOM 967 CG2 ILE A 64 -7.379 4.342 -0.811 1.00 0.00 C ATOM 968 CD1 ILE A 64 -5.147 2.893 -2.034 1.00 0.00 C ATOM 0 H ILE A 64 -4.822 6.826 -2.635 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.572 6.137 -2.868 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.524 5.391 -0.738 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.248 4.115 -3.393 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.695 4.779 -2.925 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.973 3.435 -0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.829 4.960 -0.034 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.137 4.075 -1.547 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.666 2.334 -2.836 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.446 3.020 -1.209 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.023 2.346 -1.685 1.00 0.00 H new ATOM 980 N ARG A 65 -6.713 8.280 -0.599 1.00 0.00 N ATOM 981 CA ARG A 65 -7.203 9.180 0.437 1.00 0.00 C ATOM 982 C ARG A 65 -8.255 10.133 -0.124 1.00 0.00 C ATOM 983 O ARG A 65 -9.219 10.482 0.559 1.00 0.00 O ATOM 984 CB ARG A 65 -6.045 9.979 1.038 1.00 0.00 C ATOM 985 CG ARG A 65 -4.913 9.110 1.562 1.00 0.00 C ATOM 986 CD ARG A 65 -5.314 8.382 2.835 1.00 0.00 C ATOM 987 NE ARG A 65 -4.173 8.153 3.718 1.00 0.00 N ATOM 988 CZ ARG A 65 -4.287 7.733 4.973 1.00 0.00 C ATOM 989 NH1 ARG A 65 -5.485 7.497 5.490 1.00 0.00 N ATOM 990 NH2 ARG A 65 -3.202 7.548 5.713 1.00 0.00 N ATOM 0 H ARG A 65 -5.776 8.498 -0.938 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.664 8.577 1.219 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.651 10.657 0.281 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -6.425 10.596 1.852 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.628 8.384 0.801 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.037 9.729 1.756 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -6.069 8.964 3.363 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.770 7.426 2.577 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.237 8.325 3.351 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.322 7.638 4.924 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.570 7.175 6.454 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.279 7.728 5.319 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.291 7.225 6.677 1.00 0.00 H new ATOM 1004 N LEU A 66 -8.064 10.550 -1.370 1.00 0.00 N ATOM 1005 CA LEU A 66 -8.996 11.463 -2.023 1.00 0.00 C ATOM 1006 C LEU A 66 -10.149 10.697 -2.664 1.00 0.00 C ATOM 1007 O LEU A 66 -11.314 10.918 -2.334 1.00 0.00 O ATOM 1008 CB LEU A 66 -8.269 12.293 -3.083 1.00 0.00 C ATOM 1009 CG LEU A 66 -8.961 13.587 -3.513 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -7.935 14.628 -3.930 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -9.941 13.316 -4.645 1.00 0.00 C ATOM 0 H LEU A 66 -7.272 10.271 -1.949 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.404 12.131 -1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.278 12.543 -2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.124 11.671 -3.966 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.519 13.979 -2.662 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.446 15.542 -4.233 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.273 14.843 -3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.349 14.246 -4.766 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.425 14.248 -4.939 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.405 12.901 -5.499 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.696 12.605 -4.310 1.00 0.00 H new ATOM 1023 N LYS A 67 -9.816 9.795 -3.581 1.00 0.00 N ATOM 1024 CA LYS A 67 -10.823 8.993 -4.266 1.00 0.00 C ATOM 1025 C LYS A 67 -11.572 8.101 -3.281 1.00 0.00 C ATOM 1026 O LYS A 67 -12.793 7.974 -3.349 1.00 0.00 O ATOM 1027 CB LYS A 67 -10.168 8.134 -5.351 1.00 0.00 C ATOM 1028 CG LYS A 67 -9.818 8.908 -6.610 1.00 0.00 C ATOM 1029 CD LYS A 67 -11.027 9.079 -7.514 1.00 0.00 C ATOM 1030 CE LYS A 67 -10.625 9.581 -8.893 1.00 0.00 C ATOM 1031 NZ LYS A 67 -11.708 9.378 -9.894 1.00 0.00 N ATOM 0 H LYS A 67 -8.856 9.601 -3.867 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.538 9.672 -4.730 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.261 7.683 -4.948 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.841 7.317 -5.612 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.424 9.887 -6.338 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.029 8.386 -7.151 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.549 8.127 -7.610 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.726 9.781 -7.060 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.377 10.641 -8.836 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.725 9.061 -9.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.395 9.733 -10.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.927 8.364 -9.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.559 9.895 -9.594 1.00 0.00 H new ATOM 1045 N ASN A 68 -10.831 7.487 -2.364 1.00 0.00 N ATOM 1046 CA ASN A 68 -11.426 6.608 -1.364 1.00 0.00 C ATOM 1047 C ASN A 68 -12.094 5.406 -2.024 1.00 0.00 C ATOM 1048 O ASN A 68 -13.215 5.025 -1.687 1.00 0.00 O ATOM 1049 CB ASN A 68 -12.447 7.376 -0.523 1.00 0.00 C ATOM 1050 CG ASN A 68 -11.800 8.144 0.613 1.00 0.00 C ATOM 1051 OD1 ASN A 68 -11.575 7.601 1.695 1.00 0.00 O ATOM 1052 ND2 ASN A 68 -11.498 9.415 0.372 1.00 0.00 N ATOM 0 H ASN A 68 -9.818 7.582 -2.293 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.629 6.246 -0.714 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.992 8.070 -1.163 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.177 6.677 -0.116 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.062 9.982 1.099 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -11.703 9.824 -0.540 1.00 0.00 H new ATOM 1059 N PRO A 69 -11.392 4.794 -2.989 1.00 0.00 N ATOM 1060 CA PRO A 69 -11.897 3.626 -3.717 1.00 0.00 C ATOM 1061 C PRO A 69 -11.963 2.381 -2.839 1.00 0.00 C ATOM 1062 O PRO A 69 -11.577 2.410 -1.670 1.00 0.00 O ATOM 1063 CB PRO A 69 -10.872 3.436 -4.838 1.00 0.00 C ATOM 1064 CG PRO A 69 -9.618 4.046 -4.312 1.00 0.00 C ATOM 1065 CD PRO A 69 -10.049 5.195 -3.443 1.00 0.00 C ATOM 0 HA PRO A 69 -12.916 3.777 -4.074 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -10.731 2.381 -5.071 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.195 3.925 -5.757 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -9.041 3.319 -3.740 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -8.980 4.390 -5.126 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -9.368 5.342 -2.604 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.076 6.132 -4.000 1.00 0.00 H new ATOM 1073 N THR A 70 -12.455 1.286 -3.410 1.00 0.00 N ATOM 1074 CA THR A 70 -12.573 0.030 -2.679 1.00 0.00 C ATOM 1075 C THR A 70 -11.528 -0.977 -3.146 1.00 0.00 C ATOM 1076 O THR A 70 -10.665 -0.658 -3.963 1.00 0.00 O ATOM 1077 CB THR A 70 -13.975 -0.587 -2.845 1.00 0.00 C ATOM 1078 OG1 THR A 70 -13.933 -1.647 -3.807 1.00 0.00 O ATOM 1079 CG2 THR A 70 -14.980 0.465 -3.287 1.00 0.00 C ATOM 0 H THR A 70 -12.778 1.243 -4.376 1.00 0.00 H new ATOM 0 HA THR A 70 -12.408 0.259 -1.626 1.00 0.00 H new ATOM 0 HB THR A 70 -14.289 -0.985 -1.880 1.00 0.00 H new ATOM 0 HG1 THR A 70 -14.403 -2.430 -3.451 1.00 0.00 H new ATOM 0 HG21 THR A 70 -15.962 0.006 -3.398 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.031 1.256 -2.539 1.00 0.00 H new ATOM 0 HG23 THR A 70 -14.668 0.888 -4.242 1.00 0.00 H new ATOM 1087 N VAL A 71 -11.613 -2.196 -2.621 1.00 0.00 N ATOM 1088 CA VAL A 71 -10.675 -3.252 -2.985 1.00 0.00 C ATOM 1089 C VAL A 71 -11.036 -3.866 -4.333 1.00 0.00 C ATOM 1090 O VAL A 71 -10.243 -4.600 -4.923 1.00 0.00 O ATOM 1091 CB VAL A 71 -10.640 -4.363 -1.920 1.00 0.00 C ATOM 1092 CG1 VAL A 71 -9.634 -5.438 -2.303 1.00 0.00 C ATOM 1093 CG2 VAL A 71 -10.315 -3.780 -0.553 1.00 0.00 C ATOM 0 H VAL A 71 -12.321 -2.476 -1.943 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.689 -2.791 -3.051 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.626 -4.824 -1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.623 -6.215 -1.539 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.916 -5.875 -3.261 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.641 -4.995 -2.384 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.294 -4.579 0.188 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.341 -3.292 -0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.077 -3.050 -0.278 1.00 0.00 H new ATOM 1103 N GLU A 72 -12.236 -3.560 -4.815 1.00 0.00 N ATOM 1104 CA GLU A 72 -12.702 -4.083 -6.094 1.00 0.00 C ATOM 1105 C GLU A 72 -12.151 -3.257 -7.252 1.00 0.00 C ATOM 1106 O GLU A 72 -11.705 -3.803 -8.262 1.00 0.00 O ATOM 1107 CB GLU A 72 -14.231 -4.091 -6.141 1.00 0.00 C ATOM 1108 CG GLU A 72 -14.844 -5.437 -5.791 1.00 0.00 C ATOM 1109 CD GLU A 72 -14.661 -6.465 -6.891 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -13.503 -6.847 -7.160 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -15.677 -6.887 -7.482 1.00 0.00 O ATOM 0 H GLU A 72 -12.903 -2.953 -4.339 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.338 -5.106 -6.194 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.611 -3.338 -5.451 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.557 -3.802 -7.140 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.392 -5.810 -4.872 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.908 -5.307 -5.593 1.00 0.00 H new ATOM 1118 N TYR A 73 -12.185 -1.938 -7.099 1.00 0.00 N ATOM 1119 CA TYR A 73 -11.693 -1.035 -8.133 1.00 0.00 C ATOM 1120 C TYR A 73 -10.170 -1.080 -8.215 1.00 0.00 C ATOM 1121 O TYR A 73 -9.599 -1.197 -9.298 1.00 0.00 O ATOM 1122 CB TYR A 73 -12.158 0.395 -7.855 1.00 0.00 C ATOM 1123 CG TYR A 73 -11.601 1.413 -8.824 1.00 0.00 C ATOM 1124 CD1 TYR A 73 -12.057 1.476 -10.134 1.00 0.00 C ATOM 1125 CD2 TYR A 73 -10.617 2.311 -8.429 1.00 0.00 C ATOM 1126 CE1 TYR A 73 -11.550 2.404 -11.023 1.00 0.00 C ATOM 1127 CE2 TYR A 73 -10.105 3.244 -9.311 1.00 0.00 C ATOM 1128 CZ TYR A 73 -10.574 3.286 -10.607 1.00 0.00 C ATOM 1129 OH TYR A 73 -10.068 4.212 -11.489 1.00 0.00 O ATOM 0 H TYR A 73 -12.548 -1.470 -6.269 1.00 0.00 H new ATOM 0 HA TYR A 73 -12.101 -1.362 -9.090 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -13.247 0.428 -7.893 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.866 0.672 -6.842 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -12.821 0.788 -10.464 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -10.246 2.279 -7.415 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -11.916 2.439 -12.039 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.342 3.936 -8.987 1.00 0.00 H new ATOM 0 HH TYR A 73 -9.578 4.902 -10.994 1.00 0.00 H new ATOM 1139 N MET A 74 -9.519 -0.986 -7.060 1.00 0.00 N ATOM 1140 CA MET A 74 -8.062 -1.017 -6.999 1.00 0.00 C ATOM 1141 C MET A 74 -7.513 -2.222 -7.756 1.00 0.00 C ATOM 1142 O MET A 74 -6.514 -2.117 -8.467 1.00 0.00 O ATOM 1143 CB MET A 74 -7.592 -1.057 -5.544 1.00 0.00 C ATOM 1144 CG MET A 74 -7.754 0.268 -4.817 1.00 0.00 C ATOM 1145 SD MET A 74 -6.856 1.613 -5.615 1.00 0.00 S ATOM 1146 CE MET A 74 -5.167 1.044 -5.437 1.00 0.00 C ATOM 0 H MET A 74 -9.977 -0.888 -6.154 1.00 0.00 H new ATOM 0 HA MET A 74 -7.684 -0.110 -7.470 1.00 0.00 H new ATOM 0 HB2 MET A 74 -8.152 -1.825 -5.011 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.543 -1.351 -5.518 1.00 0.00 H new ATOM 0 HG2 MET A 74 -8.813 0.523 -4.766 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.403 0.160 -3.791 1.00 0.00 H new ATOM 0 HE1 MET A 74 -4.555 1.844 -5.020 1.00 0.00 H new ATOM 0 HE2 MET A 74 -5.142 0.183 -4.769 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.775 0.758 -6.413 1.00 0.00 H new ATOM 1156 N ASN A 75 -8.172 -3.366 -7.598 1.00 0.00 N ATOM 1157 CA ASN A 75 -7.748 -4.591 -8.267 1.00 0.00 C ATOM 1158 C ASN A 75 -7.896 -4.464 -9.780 1.00 0.00 C ATOM 1159 O ASN A 75 -7.194 -5.130 -10.541 1.00 0.00 O ATOM 1160 CB ASN A 75 -8.564 -5.781 -7.760 1.00 0.00 C ATOM 1161 CG ASN A 75 -8.475 -5.946 -6.256 1.00 0.00 C ATOM 1162 OD1 ASN A 75 -7.777 -5.192 -5.578 1.00 0.00 O ATOM 1163 ND2 ASN A 75 -9.184 -6.936 -5.726 1.00 0.00 N ATOM 0 H ASN A 75 -9.001 -3.470 -7.013 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.696 -4.757 -8.037 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.607 -5.651 -8.047 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.212 -6.692 -8.244 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -9.164 -7.096 -4.719 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.749 -7.537 -6.326 1.00 0.00 H new ATOM 1170 N SER A 76 -8.815 -3.605 -10.209 1.00 0.00 N ATOM 1171 CA SER A 76 -9.058 -3.393 -11.631 1.00 0.00 C ATOM 1172 C SER A 76 -8.603 -2.001 -12.058 1.00 0.00 C ATOM 1173 O SER A 76 -9.413 -1.081 -12.179 1.00 0.00 O ATOM 1174 CB SER A 76 -10.544 -3.576 -11.949 1.00 0.00 C ATOM 1175 OG SER A 76 -11.010 -4.835 -11.496 1.00 0.00 O ATOM 0 H SER A 76 -9.403 -3.045 -9.592 1.00 0.00 H new ATOM 0 HA SER A 76 -8.481 -4.132 -12.187 1.00 0.00 H new ATOM 0 HB2 SER A 76 -11.121 -2.780 -11.478 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.702 -3.491 -13.024 1.00 0.00 H new ATOM 0 HG SER A 76 -11.962 -4.927 -11.709 1.00 0.00 H new ATOM 1181 N ILE A 77 -7.302 -1.855 -12.286 1.00 0.00 N ATOM 1182 CA ILE A 77 -6.738 -0.576 -12.701 1.00 0.00 C ATOM 1183 C ILE A 77 -5.655 -0.770 -13.756 1.00 0.00 C ATOM 1184 O ILE A 77 -4.967 -1.791 -13.775 1.00 0.00 O ATOM 1185 CB ILE A 77 -6.144 0.191 -11.506 1.00 0.00 C ATOM 1186 CG1 ILE A 77 -7.255 0.633 -10.551 1.00 0.00 C ATOM 1187 CG2 ILE A 77 -5.347 1.393 -11.991 1.00 0.00 C ATOM 1188 CD1 ILE A 77 -6.769 1.520 -9.426 1.00 0.00 C ATOM 0 H ILE A 77 -6.619 -2.606 -12.190 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.555 0.007 -13.126 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.470 -0.474 -10.966 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -8.019 1.165 -11.118 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -7.730 -0.251 -10.126 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.933 1.925 -11.134 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.535 1.055 -12.635 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -6.001 2.061 -12.552 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -7.610 1.794 -8.789 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.026 0.984 -8.835 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -6.320 2.422 -9.842 1.00 0.00 H new ATOM 1200 N TYR A 78 -5.508 0.217 -14.633 1.00 0.00 N ATOM 1201 CA TYR A 78 -4.508 0.156 -15.692 1.00 0.00 C ATOM 1202 C TYR A 78 -3.933 1.540 -15.979 1.00 0.00 C ATOM 1203 O TYR A 78 -4.376 2.538 -15.413 1.00 0.00 O ATOM 1204 CB TYR A 78 -5.119 -0.429 -16.966 1.00 0.00 C ATOM 1205 CG TYR A 78 -5.541 -1.874 -16.827 1.00 0.00 C ATOM 1206 CD1 TYR A 78 -4.633 -2.906 -17.028 1.00 0.00 C ATOM 1207 CD2 TYR A 78 -6.849 -2.207 -16.494 1.00 0.00 C ATOM 1208 CE1 TYR A 78 -5.015 -4.228 -16.902 1.00 0.00 C ATOM 1209 CE2 TYR A 78 -7.239 -3.526 -16.365 1.00 0.00 C ATOM 1210 CZ TYR A 78 -6.319 -4.533 -16.571 1.00 0.00 C ATOM 1211 OH TYR A 78 -6.702 -5.848 -16.444 1.00 0.00 O ATOM 0 H TYR A 78 -6.069 1.069 -14.631 1.00 0.00 H new ATOM 0 HA TYR A 78 -3.698 -0.491 -15.355 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -5.985 0.168 -17.251 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.395 -0.347 -17.777 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.611 -2.671 -17.287 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -7.572 -1.421 -16.333 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -4.296 -5.018 -17.062 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -8.259 -3.767 -16.104 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.652 -5.891 -16.206 1.00 0.00 H new ATOM 1221 N ASN A 79 -2.942 1.590 -16.864 1.00 0.00 N ATOM 1222 CA ASN A 79 -2.305 2.850 -17.228 1.00 0.00 C ATOM 1223 C ASN A 79 -3.014 3.494 -18.416 1.00 0.00 C ATOM 1224 O ASN A 79 -3.502 2.818 -19.321 1.00 0.00 O ATOM 1225 CB ASN A 79 -0.830 2.622 -17.563 1.00 0.00 C ATOM 1226 CG ASN A 79 -0.622 1.434 -18.482 1.00 0.00 C ATOM 1227 OD1 ASN A 79 -0.736 0.282 -18.062 1.00 0.00 O ATOM 1228 ND2 ASN A 79 -0.316 1.709 -19.744 1.00 0.00 N ATOM 0 H ASN A 79 -2.563 0.772 -17.342 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.377 3.525 -16.375 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.425 3.517 -18.034 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.271 2.466 -16.640 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.165 0.951 -20.409 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.232 2.679 -20.049 1.00 0.00 H new ATOM 1235 N PRO A 80 -3.071 4.835 -18.415 1.00 0.00 N ATOM 1236 CA PRO A 80 -2.493 5.651 -17.343 1.00 0.00 C ATOM 1237 C PRO A 80 -3.265 5.519 -16.034 1.00 0.00 C ATOM 1238 O PRO A 80 -4.485 5.678 -16.002 1.00 0.00 O ATOM 1239 CB PRO A 80 -2.601 7.078 -17.886 1.00 0.00 C ATOM 1240 CG PRO A 80 -3.735 7.031 -18.851 1.00 0.00 C ATOM 1241 CD PRO A 80 -3.704 5.656 -19.460 1.00 0.00 C ATOM 0 HA PRO A 80 -1.474 5.347 -17.104 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.792 7.793 -17.086 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -1.677 7.386 -18.375 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.684 7.213 -18.347 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.628 7.799 -19.617 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.706 5.300 -19.699 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.130 5.640 -20.387 1.00 0.00 H new ATOM 1249 N VAL A 81 -2.545 5.227 -14.955 1.00 0.00 N ATOM 1250 CA VAL A 81 -3.162 5.076 -13.643 1.00 0.00 C ATOM 1251 C VAL A 81 -3.936 6.330 -13.251 1.00 0.00 C ATOM 1252 O VAL A 81 -3.582 7.449 -13.624 1.00 0.00 O ATOM 1253 CB VAL A 81 -2.110 4.775 -12.559 1.00 0.00 C ATOM 1254 CG1 VAL A 81 -1.174 3.666 -13.016 1.00 0.00 C ATOM 1255 CG2 VAL A 81 -1.329 6.034 -12.212 1.00 0.00 C ATOM 0 H VAL A 81 -1.534 5.090 -14.964 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.851 4.235 -13.713 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.625 4.435 -11.661 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.438 3.467 -12.237 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.750 2.761 -13.210 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.663 3.974 -13.928 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.590 5.804 -11.445 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.823 6.406 -13.103 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.014 6.796 -11.839 1.00 0.00 H new ATOM 1265 N PRO A 82 -5.017 6.141 -12.480 1.00 0.00 N ATOM 1266 CA PRO A 82 -5.863 7.246 -12.020 1.00 0.00 C ATOM 1267 C PRO A 82 -5.161 8.124 -10.989 1.00 0.00 C ATOM 1268 O PRO A 82 -5.734 9.093 -10.492 1.00 0.00 O ATOM 1269 CB PRO A 82 -7.062 6.535 -11.388 1.00 0.00 C ATOM 1270 CG PRO A 82 -6.540 5.201 -10.979 1.00 0.00 C ATOM 1271 CD PRO A 82 -5.497 4.835 -11.998 1.00 0.00 C ATOM 0 HA PRO A 82 -6.130 7.921 -12.833 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.445 7.090 -10.531 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -7.884 6.438 -12.098 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.111 5.240 -9.978 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -7.339 4.460 -10.955 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.691 4.249 -11.556 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.918 4.238 -12.807 1.00 0.00 H new ATOM 1279 N TRP A 83 -3.918 7.779 -10.674 1.00 0.00 N ATOM 1280 CA TRP A 83 -3.137 8.536 -9.703 1.00 0.00 C ATOM 1281 C TRP A 83 -1.873 9.101 -10.342 1.00 0.00 C ATOM 1282 O TRP A 83 -0.869 9.319 -9.664 1.00 0.00 O ATOM 1283 CB TRP A 83 -2.769 7.650 -8.512 1.00 0.00 C ATOM 1284 CG TRP A 83 -1.905 6.483 -8.884 1.00 0.00 C ATOM 1285 CD1 TRP A 83 -0.566 6.507 -9.150 1.00 0.00 C ATOM 1286 CD2 TRP A 83 -2.322 5.122 -9.033 1.00 0.00 C ATOM 1287 NE1 TRP A 83 -0.125 5.242 -9.455 1.00 0.00 N ATOM 1288 CE2 TRP A 83 -1.183 4.374 -9.390 1.00 0.00 C ATOM 1289 CE3 TRP A 83 -3.546 4.461 -8.898 1.00 0.00 C ATOM 1290 CZ2 TRP A 83 -1.235 3.001 -9.613 1.00 0.00 C ATOM 1291 CZ3 TRP A 83 -3.596 3.098 -9.120 1.00 0.00 C ATOM 1292 CH2 TRP A 83 -2.446 2.380 -9.474 1.00 0.00 C ATOM 0 H TRP A 83 -3.429 6.980 -11.077 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.747 9.368 -9.353 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -2.251 8.253 -7.766 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -3.683 7.282 -8.046 1.00 0.00 H new ATOM 0 HD1 TRP A 83 0.055 7.390 -9.124 1.00 0.00 H new ATOM 0 HE1 TRP A 83 0.835 4.990 -9.692 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -4.437 5.006 -8.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -0.350 2.445 -9.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -4.537 2.578 -9.019 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -2.517 1.315 -9.640 1.00 0.00 H new ATOM 1303 N GLU A 84 -1.930 9.336 -11.649 1.00 0.00 N ATOM 1304 CA GLU A 84 -0.788 9.876 -12.378 1.00 0.00 C ATOM 1305 C GLU A 84 -0.862 11.398 -12.454 1.00 0.00 C ATOM 1306 O GLU A 84 -0.259 12.017 -13.332 1.00 0.00 O ATOM 1307 CB GLU A 84 -0.731 9.286 -13.789 1.00 0.00 C ATOM 1308 CG GLU A 84 0.223 8.110 -13.918 1.00 0.00 C ATOM 1309 CD GLU A 84 -0.237 7.096 -14.947 1.00 0.00 C ATOM 1310 OE1 GLU A 84 -0.907 7.502 -15.920 1.00 0.00 O ATOM 1311 OE2 GLU A 84 0.072 5.898 -14.780 1.00 0.00 O ATOM 0 H GLU A 84 -2.754 9.161 -12.224 1.00 0.00 H new ATOM 0 HA GLU A 84 0.119 9.600 -11.839 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.731 8.966 -14.081 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.430 10.066 -14.488 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.212 8.478 -14.192 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.323 7.620 -12.950 1.00 0.00 H new ATOM 1318 N LYS A 85 -1.604 11.996 -11.529 1.00 0.00 N ATOM 1319 CA LYS A 85 -1.758 13.445 -11.489 1.00 0.00 C ATOM 1320 C LYS A 85 -0.661 14.085 -10.644 1.00 0.00 C ATOM 1321 O LYS A 85 0.134 13.390 -10.011 1.00 0.00 O ATOM 1322 CB LYS A 85 -3.132 13.819 -10.928 1.00 0.00 C ATOM 1323 CG LYS A 85 -4.252 13.724 -11.950 1.00 0.00 C ATOM 1324 CD LYS A 85 -4.542 12.281 -12.328 1.00 0.00 C ATOM 1325 CE LYS A 85 -6.012 12.076 -12.657 1.00 0.00 C ATOM 1326 NZ LYS A 85 -6.452 10.679 -12.388 1.00 0.00 N ATOM 0 H LYS A 85 -2.109 11.499 -10.796 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.675 13.822 -12.508 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.362 13.165 -10.087 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.092 14.836 -10.539 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.154 14.183 -11.546 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -3.980 14.287 -12.843 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.933 11.999 -13.187 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -4.257 11.624 -11.506 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.616 12.766 -12.068 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.186 12.316 -13.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.491 10.641 -12.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.102 10.054 -13.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.070 10.365 -11.473 1.00 0.00 H new ATOM 1340 N ASP A 86 -0.625 15.413 -10.637 1.00 0.00 N ATOM 1341 CA ASP A 86 0.373 16.147 -9.867 1.00 0.00 C ATOM 1342 C ASP A 86 -0.209 16.628 -8.541 1.00 0.00 C ATOM 1343 O ASP A 86 0.520 16.843 -7.574 1.00 0.00 O ATOM 1344 CB ASP A 86 0.895 17.338 -10.671 1.00 0.00 C ATOM 1345 CG ASP A 86 1.339 16.945 -12.066 1.00 0.00 C ATOM 1346 OD1 ASP A 86 0.534 16.325 -12.793 1.00 0.00 O ATOM 1347 OD2 ASP A 86 2.491 17.258 -12.432 1.00 0.00 O ATOM 0 H ASP A 86 -1.275 16.003 -11.156 1.00 0.00 H new ATOM 0 HA ASP A 86 1.201 15.471 -9.656 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.114 18.095 -10.741 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.732 17.792 -10.141 1.00 0.00 H new ATOM 1352 N GLU A 87 -1.528 16.795 -8.506 1.00 0.00 N ATOM 1353 CA GLU A 87 -2.207 17.253 -7.299 1.00 0.00 C ATOM 1354 C GLU A 87 -2.104 16.212 -6.189 1.00 0.00 C ATOM 1355 O GLU A 87 -2.031 16.553 -5.008 1.00 0.00 O ATOM 1356 CB GLU A 87 -3.677 17.553 -7.598 1.00 0.00 C ATOM 1357 CG GLU A 87 -4.490 16.319 -7.951 1.00 0.00 C ATOM 1358 CD GLU A 87 -5.852 16.662 -8.524 1.00 0.00 C ATOM 1359 OE1 GLU A 87 -6.720 17.123 -7.754 1.00 0.00 O ATOM 1360 OE2 GLU A 87 -6.049 16.468 -9.742 1.00 0.00 O ATOM 0 H GLU A 87 -2.146 16.620 -9.298 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.718 18.167 -6.962 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.124 18.036 -6.730 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.734 18.263 -8.423 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.937 15.718 -8.673 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.619 15.706 -7.059 1.00 0.00 H new ATOM 1367 N TYR A 88 -2.099 14.941 -6.576 1.00 0.00 N ATOM 1368 CA TYR A 88 -2.008 13.849 -5.614 1.00 0.00 C ATOM 1369 C TYR A 88 -0.668 13.876 -4.885 1.00 0.00 C ATOM 1370 O TYR A 88 -0.590 13.573 -3.693 1.00 0.00 O ATOM 1371 CB TYR A 88 -2.191 12.504 -6.319 1.00 0.00 C ATOM 1372 CG TYR A 88 -3.576 12.305 -6.893 1.00 0.00 C ATOM 1373 CD1 TYR A 88 -4.709 12.576 -6.135 1.00 0.00 C ATOM 1374 CD2 TYR A 88 -3.751 11.844 -8.192 1.00 0.00 C ATOM 1375 CE1 TYR A 88 -5.976 12.395 -6.655 1.00 0.00 C ATOM 1376 CE2 TYR A 88 -5.015 11.661 -8.720 1.00 0.00 C ATOM 1377 CZ TYR A 88 -6.124 11.937 -7.948 1.00 0.00 C ATOM 1378 OH TYR A 88 -7.384 11.755 -8.470 1.00 0.00 O ATOM 0 H TYR A 88 -2.157 14.642 -7.549 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.803 13.978 -4.880 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.459 12.422 -7.122 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.981 11.701 -5.612 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.597 12.934 -5.122 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.885 11.625 -8.799 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.846 12.611 -6.053 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.134 11.304 -9.732 1.00 0.00 H new ATOM 0 HH TYR A 88 -7.312 11.429 -9.392 1.00 0.00 H new ATOM 1388 N LEU A 89 0.384 14.240 -5.609 1.00 0.00 N ATOM 1389 CA LEU A 89 1.723 14.307 -5.032 1.00 0.00 C ATOM 1390 C LEU A 89 1.678 14.875 -3.617 1.00 0.00 C ATOM 1391 O LEU A 89 2.439 14.457 -2.744 1.00 0.00 O ATOM 1392 CB LEU A 89 2.635 15.166 -5.910 1.00 0.00 C ATOM 1393 CG LEU A 89 3.068 14.544 -7.238 1.00 0.00 C ATOM 1394 CD1 LEU A 89 3.664 15.602 -8.154 1.00 0.00 C ATOM 1395 CD2 LEU A 89 4.066 13.419 -6.999 1.00 0.00 C ATOM 0 H LEU A 89 0.337 14.493 -6.596 1.00 0.00 H new ATOM 0 HA LEU A 89 2.123 13.294 -4.985 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.123 16.105 -6.121 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.530 15.412 -5.338 1.00 0.00 H new ATOM 0 HG LEU A 89 2.188 14.125 -7.726 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.966 15.141 -9.094 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.920 16.374 -8.351 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.534 16.051 -7.674 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.364 12.987 -7.955 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.945 13.814 -6.490 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.605 12.649 -6.381 1.00 0.00 H new ATOM 1407 N LYS A 90 0.780 15.830 -3.396 1.00 0.00 N ATOM 1408 CA LYS A 90 0.633 16.454 -2.087 1.00 0.00 C ATOM 1409 C LYS A 90 -0.069 15.513 -1.112 1.00 0.00 C ATOM 1410 O LYS A 90 -0.970 14.759 -1.479 1.00 0.00 O ATOM 1411 CB LYS A 90 -0.155 17.760 -2.207 1.00 0.00 C ATOM 1412 CG LYS A 90 0.704 18.956 -2.580 1.00 0.00 C ATOM 1413 CD LYS A 90 -0.097 20.006 -3.332 1.00 0.00 C ATOM 1414 CE LYS A 90 0.765 21.199 -3.712 1.00 0.00 C ATOM 1415 NZ LYS A 90 1.079 22.054 -2.534 1.00 0.00 N ATOM 0 H LYS A 90 0.143 16.188 -4.108 1.00 0.00 H new ATOM 0 HA LYS A 90 1.629 16.672 -1.702 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.936 17.636 -2.957 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.653 17.963 -1.259 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.127 19.397 -1.677 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.541 18.626 -3.195 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.524 19.563 -4.232 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.931 20.340 -2.714 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.693 20.848 -4.163 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.249 21.794 -4.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.654 22.866 -2.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.194 22.396 -2.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.608 21.498 -1.833 1.00 0.00 H new ATOM 1429 N PRO A 91 0.352 15.557 0.161 1.00 0.00 N ATOM 1430 CA PRO A 91 -0.224 14.717 1.215 1.00 0.00 C ATOM 1431 C PRO A 91 -1.649 15.126 1.569 1.00 0.00 C ATOM 1432 O PRO A 91 -1.867 16.137 2.237 1.00 0.00 O ATOM 1433 CB PRO A 91 0.711 14.949 2.404 1.00 0.00 C ATOM 1434 CG PRO A 91 1.305 16.294 2.162 1.00 0.00 C ATOM 1435 CD PRO A 91 1.422 16.432 0.669 1.00 0.00 C ATOM 0 HA PRO A 91 -0.297 13.673 0.910 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.166 14.921 3.348 1.00 0.00 H new ATOM 0 HB3 PRO A 91 1.481 14.180 2.458 1.00 0.00 H new ATOM 0 HG2 PRO A 91 0.675 17.080 2.578 1.00 0.00 H new ATOM 0 HG3 PRO A 91 2.281 16.381 2.640 1.00 0.00 H new ATOM 0 HD2 PRO A 91 1.283 17.465 0.349 1.00 0.00 H new ATOM 0 HD3 PRO A 91 2.402 16.117 0.312 1.00 0.00 H new ATOM 1443 N VAL A 92 -2.617 14.335 1.118 1.00 0.00 N ATOM 1444 CA VAL A 92 -4.022 14.615 1.389 1.00 0.00 C ATOM 1445 C VAL A 92 -4.249 14.910 2.867 1.00 0.00 C ATOM 1446 O VAL A 92 -5.104 15.721 3.226 1.00 0.00 O ATOM 1447 CB VAL A 92 -4.920 13.436 0.969 1.00 0.00 C ATOM 1448 CG1 VAL A 92 -6.379 13.742 1.273 1.00 0.00 C ATOM 1449 CG2 VAL A 92 -4.729 13.121 -0.507 1.00 0.00 C ATOM 0 H VAL A 92 -2.454 13.495 0.563 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.288 15.493 0.801 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.630 12.557 1.545 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.999 12.898 0.970 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.499 13.915 2.342 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.686 14.633 0.725 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.371 12.286 -0.787 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.991 13.995 -1.103 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.688 12.856 -0.691 1.00 0.00 H new ATOM 1459 N LEU A 93 -3.477 14.248 3.722 1.00 0.00 N ATOM 1460 CA LEU A 93 -3.592 14.440 5.163 1.00 0.00 C ATOM 1461 C LEU A 93 -2.324 15.068 5.732 1.00 0.00 C ATOM 1462 O LEU A 93 -1.415 15.435 4.989 1.00 0.00 O ATOM 1463 CB LEU A 93 -3.867 13.103 5.855 1.00 0.00 C ATOM 1464 CG LEU A 93 -4.733 12.111 5.078 1.00 0.00 C ATOM 1465 CD1 LEU A 93 -3.865 11.193 4.232 1.00 0.00 C ATOM 1466 CD2 LEU A 93 -5.599 11.300 6.031 1.00 0.00 C ATOM 0 H LEU A 93 -2.765 13.574 3.442 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.426 15.117 5.349 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.911 12.627 6.074 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.349 13.304 6.812 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.388 12.673 4.412 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.499 10.494 3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.288 11.788 3.524 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.185 10.638 4.878 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.209 10.599 5.461 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.961 10.748 6.722 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.248 11.971 6.594 1.00 0.00 H new ATOM 1478 N GLU A 94 -2.271 15.188 7.055 1.00 0.00 N ATOM 1479 CA GLU A 94 -1.114 15.771 7.723 1.00 0.00 C ATOM 1480 C GLU A 94 -0.322 14.703 8.471 1.00 0.00 C ATOM 1481 O GLU A 94 -0.897 13.809 9.092 1.00 0.00 O ATOM 1482 CB GLU A 94 -1.556 16.868 8.695 1.00 0.00 C ATOM 1483 CG GLU A 94 -0.521 17.963 8.889 1.00 0.00 C ATOM 1484 CD GLU A 94 -0.699 18.708 10.197 1.00 0.00 C ATOM 1485 OE1 GLU A 94 -1.117 18.075 11.190 1.00 0.00 O ATOM 1486 OE2 GLU A 94 -0.421 19.925 10.229 1.00 0.00 O ATOM 0 H GLU A 94 -3.016 14.889 7.685 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.470 16.209 6.961 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.481 17.315 8.329 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.780 16.417 9.661 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.477 17.525 8.858 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.585 18.669 8.061 1.00 0.00 H new ATOM 1493 N ASP A 95 1.002 14.802 8.406 1.00 0.00 N ATOM 1494 CA ASP A 95 1.874 13.845 9.076 1.00 0.00 C ATOM 1495 C ASP A 95 1.609 12.427 8.580 1.00 0.00 C ATOM 1496 O ASP A 95 1.476 11.495 9.374 1.00 0.00 O ATOM 1497 CB ASP A 95 1.673 13.914 10.591 1.00 0.00 C ATOM 1498 CG ASP A 95 2.782 13.218 11.355 1.00 0.00 C ATOM 1499 OD1 ASP A 95 3.960 13.385 10.974 1.00 0.00 O ATOM 1500 OD2 ASP A 95 2.473 12.507 12.333 1.00 0.00 O ATOM 0 H ASP A 95 1.494 15.536 7.896 1.00 0.00 H new ATOM 0 HA ASP A 95 2.906 14.105 8.841 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.622 14.958 10.901 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.717 13.458 10.849 1.00 0.00 H new ATOM 1505 N ASP A 96 1.533 12.272 7.263 1.00 0.00 N ATOM 1506 CA ASP A 96 1.284 10.967 6.660 1.00 0.00 C ATOM 1507 C ASP A 96 2.540 10.103 6.696 1.00 0.00 C ATOM 1508 O ASP A 96 3.488 10.337 5.945 1.00 0.00 O ATOM 1509 CB ASP A 96 0.803 11.132 5.217 1.00 0.00 C ATOM 1510 CG ASP A 96 -0.680 11.432 5.132 1.00 0.00 C ATOM 1511 OD1 ASP A 96 -1.449 10.857 5.931 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -1.073 12.241 4.266 1.00 0.00 O ATOM 0 H ASP A 96 1.640 13.033 6.592 1.00 0.00 H new ATOM 0 HA ASP A 96 0.506 10.469 7.239 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.362 11.938 4.741 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.019 10.221 4.659 1.00 0.00 H new ATOM 1517 N LEU A 97 2.541 9.105 7.572 1.00 0.00 N ATOM 1518 CA LEU A 97 3.682 8.206 7.707 1.00 0.00 C ATOM 1519 C LEU A 97 3.860 7.360 6.450 1.00 0.00 C ATOM 1520 O LEU A 97 4.983 7.099 6.019 1.00 0.00 O ATOM 1521 CB LEU A 97 3.500 7.299 8.925 1.00 0.00 C ATOM 1522 CG LEU A 97 3.112 7.996 10.229 1.00 0.00 C ATOM 1523 CD1 LEU A 97 2.612 6.983 11.248 1.00 0.00 C ATOM 1524 CD2 LEU A 97 4.291 8.779 10.787 1.00 0.00 C ATOM 0 H LEU A 97 1.764 8.897 8.200 1.00 0.00 H new ATOM 0 HA LEU A 97 4.577 8.812 7.844 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.735 6.559 8.691 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.430 6.755 9.090 1.00 0.00 H new ATOM 0 HG LEU A 97 2.304 8.697 10.017 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.341 7.498 12.170 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.738 6.467 10.850 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.398 6.257 11.456 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.996 9.268 11.715 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.120 8.099 10.983 1.00 0.00 H new ATOM 0 HD23 LEU A 97 4.603 9.532 10.063 1.00 0.00 H new ATOM 1536 N LEU A 98 2.744 6.936 5.867 1.00 0.00 N ATOM 1537 CA LEU A 98 2.776 6.121 4.657 1.00 0.00 C ATOM 1538 C LEU A 98 3.609 6.793 3.570 1.00 0.00 C ATOM 1539 O LEU A 98 4.324 6.126 2.820 1.00 0.00 O ATOM 1540 CB LEU A 98 1.355 5.874 4.148 1.00 0.00 C ATOM 1541 CG LEU A 98 0.354 5.351 5.179 1.00 0.00 C ATOM 1542 CD1 LEU A 98 -1.068 5.481 4.655 1.00 0.00 C ATOM 1543 CD2 LEU A 98 0.663 3.905 5.537 1.00 0.00 C ATOM 0 H LEU A 98 1.807 7.143 6.212 1.00 0.00 H new ATOM 0 HA LEU A 98 3.238 5.165 4.904 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.970 6.808 3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.404 5.161 3.325 1.00 0.00 H new ATOM 0 HG LEU A 98 0.443 5.954 6.083 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.767 5.104 5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.286 6.529 4.450 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.172 4.903 3.737 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.059 3.550 6.272 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.603 3.287 4.641 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.667 3.840 5.955 1.00 0.00 H new ATOM 1555 N LEU A 99 3.513 8.115 3.491 1.00 0.00 N ATOM 1556 CA LEU A 99 4.260 8.878 2.496 1.00 0.00 C ATOM 1557 C LEU A 99 5.751 8.878 2.817 1.00 0.00 C ATOM 1558 O LEU A 99 6.584 9.075 1.933 1.00 0.00 O ATOM 1559 CB LEU A 99 3.740 10.316 2.433 1.00 0.00 C ATOM 1560 CG LEU A 99 2.586 10.570 1.463 1.00 0.00 C ATOM 1561 CD1 LEU A 99 1.377 9.728 1.840 1.00 0.00 C ATOM 1562 CD2 LEU A 99 2.223 12.048 1.441 1.00 0.00 C ATOM 0 H LEU A 99 2.926 8.681 4.103 1.00 0.00 H new ATOM 0 HA LEU A 99 4.116 8.403 1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.419 10.609 3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.569 10.969 2.160 1.00 0.00 H new ATOM 0 HG LEU A 99 2.907 10.280 0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.566 9.922 1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.644 8.672 1.803 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.054 9.986 2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.400 12.210 0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.921 12.363 2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.088 12.630 1.122 1.00 0.00 H new ATOM 1574 N GLN A 100 6.079 8.653 4.085 1.00 0.00 N ATOM 1575 CA GLN A 100 7.470 8.625 4.520 1.00 0.00 C ATOM 1576 C GLN A 100 7.909 7.202 4.849 1.00 0.00 C ATOM 1577 O GLN A 100 8.879 6.993 5.579 1.00 0.00 O ATOM 1578 CB GLN A 100 7.662 9.525 5.742 1.00 0.00 C ATOM 1579 CG GLN A 100 6.562 9.382 6.782 1.00 0.00 C ATOM 1580 CD GLN A 100 6.832 10.195 8.033 1.00 0.00 C ATOM 1581 OE1 GLN A 100 5.810 10.886 8.522 1.00 0.00 O flip ATOM 1582 NE2 GLN A 100 7.948 10.201 8.554 1.00 0.00 N flip ATOM 0 H GLN A 100 5.401 8.488 4.829 1.00 0.00 H new ATOM 0 HA GLN A 100 8.088 8.997 3.702 1.00 0.00 H new ATOM 0 HB2 GLN A 100 8.621 9.294 6.206 1.00 0.00 H new ATOM 0 HB3 GLN A 100 7.708 10.564 5.414 1.00 0.00 H new ATOM 0 HG2 GLN A 100 5.613 9.696 6.347 1.00 0.00 H new ATOM 0 HG3 GLN A 100 6.457 8.331 7.052 1.00 0.00 H new ATOM 0 HE21 GLN A 100 8.705 9.654 8.144 1.00 0.00 H new ATOM 0 HE22 GLN A 100 8.115 10.752 9.396 1.00 0.00 H new ATOM 1591 N PHE A 101 7.190 6.226 4.305 1.00 0.00 N ATOM 1592 CA PHE A 101 7.505 4.822 4.541 1.00 0.00 C ATOM 1593 C PHE A 101 8.677 4.374 3.673 1.00 0.00 C ATOM 1594 O PHE A 101 8.980 4.992 2.652 1.00 0.00 O ATOM 1595 CB PHE A 101 6.282 3.948 4.256 1.00 0.00 C ATOM 1596 CG PHE A 101 6.624 2.514 3.966 1.00 0.00 C ATOM 1597 CD1 PHE A 101 6.862 1.622 4.999 1.00 0.00 C ATOM 1598 CD2 PHE A 101 6.708 2.059 2.660 1.00 0.00 C ATOM 1599 CE1 PHE A 101 7.176 0.302 4.736 1.00 0.00 C ATOM 1600 CE2 PHE A 101 7.021 0.740 2.391 1.00 0.00 C ATOM 1601 CZ PHE A 101 7.257 -0.139 3.430 1.00 0.00 C ATOM 0 H PHE A 101 6.385 6.381 3.698 1.00 0.00 H new ATOM 0 HA PHE A 101 7.787 4.710 5.588 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.610 3.987 5.113 1.00 0.00 H new ATOM 0 HB3 PHE A 101 5.739 4.363 3.407 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.801 1.962 6.022 1.00 0.00 H new ATOM 0 HD2 PHE A 101 6.527 2.742 1.844 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.358 -0.383 5.551 1.00 0.00 H new ATOM 0 HE2 PHE A 101 7.081 0.397 1.369 1.00 0.00 H new ATOM 0 HZ PHE A 101 7.504 -1.169 3.221 1.00 0.00 H new ATOM 1611 N ASP A 102 9.334 3.295 4.086 1.00 0.00 N ATOM 1612 CA ASP A 102 10.473 2.763 3.347 1.00 0.00 C ATOM 1613 C ASP A 102 10.007 1.913 2.170 1.00 0.00 C ATOM 1614 O ASP A 102 9.919 0.689 2.270 1.00 0.00 O ATOM 1615 CB ASP A 102 11.364 1.932 4.271 1.00 0.00 C ATOM 1616 CG ASP A 102 12.410 2.773 4.976 1.00 0.00 C ATOM 1617 OD1 ASP A 102 12.025 3.715 5.700 1.00 0.00 O ATOM 1618 OD2 ASP A 102 13.614 2.490 4.804 1.00 0.00 O ATOM 0 H ASP A 102 9.097 2.772 4.929 1.00 0.00 H new ATOM 0 HA ASP A 102 11.049 3.604 2.960 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.744 1.430 5.014 1.00 0.00 H new ATOM 0 HB3 ASP A 102 11.859 1.153 3.690 1.00 0.00 H new ATOM 1623 N VAL A 103 9.709 2.570 1.053 1.00 0.00 N ATOM 1624 CA VAL A 103 9.252 1.875 -0.144 1.00 0.00 C ATOM 1625 C VAL A 103 10.427 1.306 -0.932 1.00 0.00 C ATOM 1626 O VAL A 103 10.285 0.317 -1.650 1.00 0.00 O ATOM 1627 CB VAL A 103 8.438 2.809 -1.060 1.00 0.00 C ATOM 1628 CG1 VAL A 103 9.349 3.825 -1.731 1.00 0.00 C ATOM 1629 CG2 VAL A 103 7.670 2.002 -2.096 1.00 0.00 C ATOM 0 H VAL A 103 9.776 3.583 0.953 1.00 0.00 H new ATOM 0 HA VAL A 103 8.612 1.058 0.190 1.00 0.00 H new ATOM 0 HB VAL A 103 7.717 3.352 -0.449 1.00 0.00 H new ATOM 0 HG11 VAL A 103 8.757 4.476 -2.374 1.00 0.00 H new ATOM 0 HG12 VAL A 103 9.849 4.424 -0.970 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.095 3.304 -2.331 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.101 2.678 -2.734 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.371 1.431 -2.705 1.00 0.00 H new ATOM 0 HG23 VAL A 103 6.987 1.318 -1.592 1.00 0.00 H new ATOM 1639 N GLU A 104 11.588 1.939 -0.791 1.00 0.00 N ATOM 1640 CA GLU A 104 12.788 1.496 -1.490 1.00 0.00 C ATOM 1641 C GLU A 104 12.969 -0.014 -1.358 1.00 0.00 C ATOM 1642 O GLU A 104 13.248 -0.705 -2.338 1.00 0.00 O ATOM 1643 CB GLU A 104 14.020 2.218 -0.943 1.00 0.00 C ATOM 1644 CG GLU A 104 14.030 3.710 -1.232 1.00 0.00 C ATOM 1645 CD GLU A 104 15.403 4.330 -1.054 1.00 0.00 C ATOM 1646 OE1 GLU A 104 15.860 4.436 0.103 1.00 0.00 O ATOM 1647 OE2 GLU A 104 16.019 4.709 -2.072 1.00 0.00 O ATOM 0 H GLU A 104 11.722 2.759 -0.200 1.00 0.00 H new ATOM 0 HA GLU A 104 12.672 1.740 -2.546 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.071 2.065 0.135 1.00 0.00 H new ATOM 0 HB3 GLU A 104 14.915 1.767 -1.372 1.00 0.00 H new ATOM 0 HG2 GLU A 104 13.688 3.881 -2.253 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.322 4.209 -0.571 1.00 0.00 H new ATOM 1654 N ASP A 105 12.808 -0.518 -0.139 1.00 0.00 N ATOM 1655 CA ASP A 105 12.953 -1.945 0.123 1.00 0.00 C ATOM 1656 C ASP A 105 12.172 -2.767 -0.897 1.00 0.00 C ATOM 1657 O ASP A 105 12.573 -3.875 -1.256 1.00 0.00 O ATOM 1658 CB ASP A 105 12.475 -2.277 1.538 1.00 0.00 C ATOM 1659 CG ASP A 105 10.985 -2.553 1.595 1.00 0.00 C ATOM 1660 OD1 ASP A 105 10.200 -1.645 1.250 1.00 0.00 O ATOM 1661 OD2 ASP A 105 10.604 -3.677 1.986 1.00 0.00 O ATOM 0 H ASP A 105 12.577 0.040 0.683 1.00 0.00 H new ATOM 0 HA ASP A 105 14.009 -2.200 0.036 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.017 -3.148 1.907 1.00 0.00 H new ATOM 0 HB3 ASP A 105 12.714 -1.447 2.203 1.00 0.00 H new ATOM 1666 N LEU A 106 11.055 -2.218 -1.361 1.00 0.00 N ATOM 1667 CA LEU A 106 10.216 -2.901 -2.339 1.00 0.00 C ATOM 1668 C LEU A 106 10.957 -3.081 -3.661 1.00 0.00 C ATOM 1669 O LEU A 106 10.801 -4.097 -4.338 1.00 0.00 O ATOM 1670 CB LEU A 106 8.924 -2.115 -2.570 1.00 0.00 C ATOM 1671 CG LEU A 106 8.079 -1.835 -1.327 1.00 0.00 C ATOM 1672 CD1 LEU A 106 6.736 -1.237 -1.718 1.00 0.00 C ATOM 1673 CD2 LEU A 106 7.882 -3.108 -0.517 1.00 0.00 C ATOM 0 H LEU A 106 10.709 -1.302 -1.076 1.00 0.00 H new ATOM 0 HA LEU A 106 9.969 -3.886 -1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.180 -1.162 -3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.311 -2.663 -3.286 1.00 0.00 H new ATOM 0 HG LEU A 106 8.609 -1.112 -0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.148 -1.044 -0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.896 -0.302 -2.254 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.200 -1.936 -2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.278 -2.889 0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.374 -3.854 -1.129 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.852 -3.494 -0.205 1.00 0.00 H new ATOM 1685 N TYR A 107 11.765 -2.090 -4.019 1.00 0.00 N ATOM 1686 CA TYR A 107 12.531 -2.139 -5.259 1.00 0.00 C ATOM 1687 C TYR A 107 13.606 -3.219 -5.194 1.00 0.00 C ATOM 1688 O TYR A 107 14.536 -3.136 -4.392 1.00 0.00 O ATOM 1689 CB TYR A 107 13.174 -0.780 -5.540 1.00 0.00 C ATOM 1690 CG TYR A 107 12.218 0.383 -5.401 1.00 0.00 C ATOM 1691 CD1 TYR A 107 10.845 0.195 -5.508 1.00 0.00 C ATOM 1692 CD2 TYR A 107 12.687 1.670 -5.166 1.00 0.00 C ATOM 1693 CE1 TYR A 107 9.967 1.255 -5.383 1.00 0.00 C ATOM 1694 CE2 TYR A 107 11.816 2.735 -5.038 1.00 0.00 C ATOM 1695 CZ TYR A 107 10.458 2.522 -5.148 1.00 0.00 C ATOM 1696 OH TYR A 107 9.588 3.581 -5.023 1.00 0.00 O ATOM 0 H TYR A 107 11.907 -1.243 -3.469 1.00 0.00 H new ATOM 0 HA TYR A 107 11.845 -2.384 -6.070 1.00 0.00 H new ATOM 0 HB2 TYR A 107 14.011 -0.635 -4.857 1.00 0.00 H new ATOM 0 HB3 TYR A 107 13.584 -0.783 -6.550 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.458 -0.796 -5.692 1.00 0.00 H new ATOM 0 HD2 TYR A 107 13.750 1.841 -5.082 1.00 0.00 H new ATOM 0 HE1 TYR A 107 8.903 1.092 -5.469 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.197 3.729 -4.853 1.00 0.00 H new ATOM 0 HH TYR A 107 8.782 3.406 -5.552 1.00 0.00 H new ATOM 1706 N GLU A 108 13.470 -4.232 -6.044 1.00 0.00 N ATOM 1707 CA GLU A 108 14.429 -5.330 -6.082 1.00 0.00 C ATOM 1708 C GLU A 108 15.637 -4.967 -6.941 1.00 0.00 C ATOM 1709 O GLU A 108 15.515 -4.636 -8.121 1.00 0.00 O ATOM 1710 CB GLU A 108 13.766 -6.597 -6.626 1.00 0.00 C ATOM 1711 CG GLU A 108 14.700 -7.794 -6.689 1.00 0.00 C ATOM 1712 CD GLU A 108 14.087 -8.975 -7.416 1.00 0.00 C ATOM 1713 OE1 GLU A 108 13.487 -8.765 -8.490 1.00 0.00 O ATOM 1714 OE2 GLU A 108 14.208 -10.110 -6.910 1.00 0.00 O ATOM 0 H GLU A 108 12.706 -4.315 -6.715 1.00 0.00 H new ATOM 0 HA GLU A 108 14.771 -5.516 -5.064 1.00 0.00 H new ATOM 0 HB2 GLU A 108 12.910 -6.847 -5.999 1.00 0.00 H new ATOM 0 HB3 GLU A 108 13.380 -6.395 -7.625 1.00 0.00 H new ATOM 0 HG2 GLU A 108 15.623 -7.503 -7.190 1.00 0.00 H new ATOM 0 HG3 GLU A 108 14.968 -8.095 -5.676 1.00 0.00 H new ATOM 1721 N PRO A 109 16.833 -5.028 -6.336 1.00 0.00 N ATOM 1722 CA PRO A 109 18.086 -4.710 -7.025 1.00 0.00 C ATOM 1723 C PRO A 109 18.453 -5.754 -8.074 1.00 0.00 C ATOM 1724 O PRO A 109 19.113 -6.748 -7.770 1.00 0.00 O ATOM 1725 CB PRO A 109 19.119 -4.699 -5.896 1.00 0.00 C ATOM 1726 CG PRO A 109 18.544 -5.587 -4.848 1.00 0.00 C ATOM 1727 CD PRO A 109 17.052 -5.415 -4.932 1.00 0.00 C ATOM 0 HA PRO A 109 18.023 -3.769 -7.572 1.00 0.00 H new ATOM 0 HB2 PRO A 109 20.086 -5.067 -6.240 1.00 0.00 H new ATOM 0 HB3 PRO A 109 19.279 -3.690 -5.516 1.00 0.00 H new ATOM 0 HG2 PRO A 109 18.827 -6.626 -5.018 1.00 0.00 H new ATOM 0 HG3 PRO A 109 18.913 -5.314 -3.859 1.00 0.00 H new ATOM 0 HD2 PRO A 109 16.526 -6.337 -4.682 1.00 0.00 H new ATOM 0 HD3 PRO A 109 16.696 -4.649 -4.243 1.00 0.00 H new ATOM 1735 N VAL A 110 18.022 -5.523 -9.310 1.00 0.00 N ATOM 1736 CA VAL A 110 18.307 -6.444 -10.403 1.00 0.00 C ATOM 1737 C VAL A 110 19.177 -5.783 -11.466 1.00 0.00 C ATOM 1738 O VAL A 110 18.670 -5.220 -12.436 1.00 0.00 O ATOM 1739 CB VAL A 110 17.010 -6.953 -11.061 1.00 0.00 C ATOM 1740 CG1 VAL A 110 17.328 -7.925 -12.187 1.00 0.00 C ATOM 1741 CG2 VAL A 110 16.106 -7.602 -10.024 1.00 0.00 C ATOM 0 H VAL A 110 17.474 -4.706 -9.579 1.00 0.00 H new ATOM 0 HA VAL A 110 18.844 -7.289 -9.972 1.00 0.00 H new ATOM 0 HB VAL A 110 16.481 -6.101 -11.488 1.00 0.00 H new ATOM 0 HG11 VAL A 110 16.400 -8.274 -12.640 1.00 0.00 H new ATOM 0 HG12 VAL A 110 17.933 -7.422 -12.941 1.00 0.00 H new ATOM 0 HG13 VAL A 110 17.879 -8.776 -11.788 1.00 0.00 H new ATOM 0 HG21 VAL A 110 15.195 -7.956 -10.506 1.00 0.00 H new ATOM 0 HG22 VAL A 110 16.624 -8.444 -9.565 1.00 0.00 H new ATOM 0 HG23 VAL A 110 15.850 -6.872 -9.256 1.00 0.00 H new ATOM 1751 N SER A 111 20.491 -5.855 -11.276 1.00 0.00 N ATOM 1752 CA SER A 111 21.433 -5.260 -12.217 1.00 0.00 C ATOM 1753 C SER A 111 22.861 -5.698 -11.906 1.00 0.00 C ATOM 1754 O SER A 111 23.180 -6.059 -10.773 1.00 0.00 O ATOM 1755 CB SER A 111 21.334 -3.734 -12.174 1.00 0.00 C ATOM 1756 OG SER A 111 21.995 -3.149 -13.283 1.00 0.00 O ATOM 0 H SER A 111 20.927 -6.319 -10.479 1.00 0.00 H new ATOM 0 HA SER A 111 21.176 -5.605 -13.218 1.00 0.00 H new ATOM 0 HB2 SER A 111 20.286 -3.434 -12.172 1.00 0.00 H new ATOM 0 HB3 SER A 111 21.774 -3.364 -11.248 1.00 0.00 H new ATOM 0 HG SER A 111 21.916 -2.173 -13.234 1.00 0.00 H new ATOM 1762 N THR A 112 23.718 -5.664 -12.922 1.00 0.00 N ATOM 1763 CA THR A 112 25.112 -6.058 -12.759 1.00 0.00 C ATOM 1764 C THR A 112 25.859 -5.077 -11.864 1.00 0.00 C ATOM 1765 O THR A 112 25.645 -3.865 -11.914 1.00 0.00 O ATOM 1766 CB THR A 112 25.832 -6.148 -14.117 1.00 0.00 C ATOM 1767 OG1 THR A 112 25.715 -4.904 -14.817 1.00 0.00 O ATOM 1768 CG2 THR A 112 25.251 -7.269 -14.965 1.00 0.00 C ATOM 0 H THR A 112 23.471 -5.368 -13.866 1.00 0.00 H new ATOM 0 HA THR A 112 25.110 -7.043 -12.291 1.00 0.00 H new ATOM 0 HB THR A 112 26.884 -6.363 -13.931 1.00 0.00 H new ATOM 0 HG1 THR A 112 26.177 -4.969 -15.679 1.00 0.00 H new ATOM 0 HG21 THR A 112 25.776 -7.313 -15.919 1.00 0.00 H new ATOM 0 HG22 THR A 112 25.368 -8.218 -14.443 1.00 0.00 H new ATOM 0 HG23 THR A 112 24.192 -7.080 -15.142 1.00 0.00 H new ATOM 1776 N PRO A 113 26.759 -5.609 -11.023 1.00 0.00 N ATOM 1777 CA PRO A 113 27.558 -4.796 -10.101 1.00 0.00 C ATOM 1778 C PRO A 113 28.594 -3.945 -10.827 1.00 0.00 C ATOM 1779 O PRO A 113 29.247 -3.094 -10.223 1.00 0.00 O ATOM 1780 CB PRO A 113 28.248 -5.838 -9.217 1.00 0.00 C ATOM 1781 CG PRO A 113 28.304 -7.069 -10.054 1.00 0.00 C ATOM 1782 CD PRO A 113 27.067 -7.044 -10.909 1.00 0.00 C ATOM 0 HA PRO A 113 26.944 -4.086 -9.547 1.00 0.00 H new ATOM 0 HB2 PRO A 113 29.246 -5.511 -8.926 1.00 0.00 H new ATOM 0 HB3 PRO A 113 27.688 -6.010 -8.298 1.00 0.00 H new ATOM 0 HG2 PRO A 113 29.204 -7.082 -10.669 1.00 0.00 H new ATOM 0 HG3 PRO A 113 28.330 -7.963 -9.432 1.00 0.00 H new ATOM 0 HD2 PRO A 113 27.244 -7.496 -11.885 1.00 0.00 H new ATOM 0 HD3 PRO A 113 26.248 -7.595 -10.447 1.00 0.00 H new ATOM 1790 N PHE A 114 28.739 -4.178 -12.128 1.00 0.00 N ATOM 1791 CA PHE A 114 29.696 -3.433 -12.936 1.00 0.00 C ATOM 1792 C PHE A 114 29.139 -2.064 -13.315 1.00 0.00 C ATOM 1793 O PHE A 114 27.989 -1.946 -13.738 1.00 0.00 O ATOM 1794 CB PHE A 114 30.050 -4.219 -14.200 1.00 0.00 C ATOM 1795 CG PHE A 114 30.973 -5.377 -13.947 1.00 0.00 C ATOM 1796 CD1 PHE A 114 30.554 -6.463 -13.196 1.00 0.00 C ATOM 1797 CD2 PHE A 114 32.261 -5.379 -14.459 1.00 0.00 C ATOM 1798 CE1 PHE A 114 31.400 -7.530 -12.962 1.00 0.00 C ATOM 1799 CE2 PHE A 114 33.111 -6.443 -14.228 1.00 0.00 C ATOM 1800 CZ PHE A 114 32.681 -7.520 -13.478 1.00 0.00 C ATOM 0 H PHE A 114 28.205 -4.877 -12.644 1.00 0.00 H new ATOM 0 HA PHE A 114 30.598 -3.287 -12.342 1.00 0.00 H new ATOM 0 HB2 PHE A 114 29.132 -4.589 -14.657 1.00 0.00 H new ATOM 0 HB3 PHE A 114 30.515 -3.545 -14.919 1.00 0.00 H new ATOM 0 HD1 PHE A 114 29.554 -6.476 -12.788 1.00 0.00 H new ATOM 0 HD2 PHE A 114 32.604 -4.539 -15.045 1.00 0.00 H new ATOM 0 HE1 PHE A 114 31.060 -8.371 -12.376 1.00 0.00 H new ATOM 0 HE2 PHE A 114 34.112 -6.433 -14.634 1.00 0.00 H new ATOM 0 HZ PHE A 114 33.345 -8.352 -13.295 1.00 0.00 H new ATOM 1810 N SER A 115 29.962 -1.032 -13.159 1.00 0.00 N ATOM 1811 CA SER A 115 29.551 0.329 -13.480 1.00 0.00 C ATOM 1812 C SER A 115 29.129 0.439 -14.942 1.00 0.00 C ATOM 1813 O SER A 115 29.883 0.078 -15.846 1.00 0.00 O ATOM 1814 CB SER A 115 30.688 1.310 -13.191 1.00 0.00 C ATOM 1815 OG SER A 115 30.821 1.541 -11.799 1.00 0.00 O ATOM 0 H SER A 115 30.918 -1.113 -12.812 1.00 0.00 H new ATOM 0 HA SER A 115 28.696 0.581 -12.853 1.00 0.00 H new ATOM 0 HB2 SER A 115 31.623 0.915 -13.588 1.00 0.00 H new ATOM 0 HB3 SER A 115 30.497 2.253 -13.703 1.00 0.00 H new ATOM 0 HG SER A 115 31.556 2.170 -11.641 1.00 0.00 H new ATOM 1821 N SER A 116 27.918 0.940 -15.167 1.00 0.00 N ATOM 1822 CA SER A 116 27.393 1.095 -16.518 1.00 0.00 C ATOM 1823 C SER A 116 26.843 2.502 -16.730 1.00 0.00 C ATOM 1824 O SER A 116 25.710 2.800 -16.355 1.00 0.00 O ATOM 1825 CB SER A 116 26.297 0.061 -16.783 1.00 0.00 C ATOM 1826 OG SER A 116 25.217 0.219 -15.880 1.00 0.00 O ATOM 0 H SER A 116 27.282 1.245 -14.430 1.00 0.00 H new ATOM 0 HA SER A 116 28.211 0.935 -17.220 1.00 0.00 H new ATOM 0 HB2 SER A 116 25.937 0.163 -17.807 1.00 0.00 H new ATOM 0 HB3 SER A 116 26.710 -0.943 -16.689 1.00 0.00 H new ATOM 0 HG SER A 116 24.985 1.169 -15.811 1.00 0.00 H new ATOM 1832 N GLY A 117 27.655 3.364 -17.334 1.00 0.00 N ATOM 1833 CA GLY A 117 27.234 4.729 -17.585 1.00 0.00 C ATOM 1834 C GLY A 117 28.405 5.680 -17.736 1.00 0.00 C ATOM 1835 O GLY A 117 28.600 6.590 -16.930 1.00 0.00 O ATOM 0 H GLY A 117 28.597 3.141 -17.654 1.00 0.00 H new ATOM 0 HA2 GLY A 117 26.628 4.758 -18.490 1.00 0.00 H new ATOM 0 HA3 GLY A 117 26.600 5.067 -16.765 1.00 0.00 H new ATOM 1839 N PRO A 118 29.210 5.471 -18.788 1.00 0.00 N ATOM 1840 CA PRO A 118 30.383 6.305 -19.065 1.00 0.00 C ATOM 1841 C PRO A 118 30.001 7.712 -19.512 1.00 0.00 C ATOM 1842 O PRO A 118 29.537 7.913 -20.635 1.00 0.00 O ATOM 1843 CB PRO A 118 31.090 5.558 -20.198 1.00 0.00 C ATOM 1844 CG PRO A 118 30.012 4.780 -20.870 1.00 0.00 C ATOM 1845 CD PRO A 118 29.037 4.404 -19.788 1.00 0.00 C ATOM 0 HA PRO A 118 31.001 6.446 -18.178 1.00 0.00 H new ATOM 0 HB2 PRO A 118 31.569 6.250 -20.890 1.00 0.00 H new ATOM 0 HB3 PRO A 118 31.870 4.902 -19.813 1.00 0.00 H new ATOM 0 HG2 PRO A 118 29.526 5.374 -21.644 1.00 0.00 H new ATOM 0 HG3 PRO A 118 30.416 3.892 -21.357 1.00 0.00 H new ATOM 0 HD2 PRO A 118 28.014 4.367 -20.164 1.00 0.00 H new ATOM 0 HD3 PRO A 118 29.259 3.422 -19.370 1.00 0.00 H new ATOM 1853 N SER A 119 30.199 8.684 -18.627 1.00 0.00 N ATOM 1854 CA SER A 119 29.871 10.072 -18.930 1.00 0.00 C ATOM 1855 C SER A 119 30.423 11.007 -17.857 1.00 0.00 C ATOM 1856 O SER A 119 30.623 10.604 -16.711 1.00 0.00 O ATOM 1857 CB SER A 119 28.356 10.248 -19.045 1.00 0.00 C ATOM 1858 OG SER A 119 27.716 9.975 -17.811 1.00 0.00 O ATOM 0 H SER A 119 30.585 8.536 -17.695 1.00 0.00 H new ATOM 0 HA SER A 119 30.332 10.328 -19.884 1.00 0.00 H new ATOM 0 HB2 SER A 119 28.128 11.267 -19.359 1.00 0.00 H new ATOM 0 HB3 SER A 119 27.967 9.582 -19.815 1.00 0.00 H new ATOM 0 HG SER A 119 26.749 10.096 -17.910 1.00 0.00 H new ATOM 1864 N SER A 120 30.666 12.257 -18.238 1.00 0.00 N ATOM 1865 CA SER A 120 31.198 13.249 -17.311 1.00 0.00 C ATOM 1866 C SER A 120 31.189 14.639 -17.940 1.00 0.00 C ATOM 1867 O SER A 120 31.013 14.785 -19.149 1.00 0.00 O ATOM 1868 CB SER A 120 32.621 12.875 -16.893 1.00 0.00 C ATOM 1869 OG SER A 120 33.523 13.006 -17.979 1.00 0.00 O ATOM 0 H SER A 120 30.503 12.607 -19.182 1.00 0.00 H new ATOM 0 HA SER A 120 30.560 13.265 -16.428 1.00 0.00 H new ATOM 0 HB2 SER A 120 32.942 13.515 -16.071 1.00 0.00 H new ATOM 0 HB3 SER A 120 32.637 11.849 -16.524 1.00 0.00 H new ATOM 0 HG SER A 120 34.426 12.763 -17.686 1.00 0.00 H new ATOM 1875 N GLY A 121 31.379 15.659 -17.108 1.00 0.00 N ATOM 1876 CA GLY A 121 31.389 17.025 -17.599 1.00 0.00 C ATOM 1877 C GLY A 121 32.354 17.908 -16.834 1.00 0.00 C ATOM 1878 O GLY A 121 32.594 17.654 -15.655 1.00 0.00 O ATOM 0 H GLY A 121 31.526 15.564 -16.103 1.00 0.00 H new ATOM 0 HA2 GLY A 121 31.659 17.026 -18.655 1.00 0.00 H new ATOM 0 HA3 GLY A 121 30.384 17.441 -17.526 1.00 0.00 H new TER 1882 GLY A 121 HETATM 1883 ZN ZN A 201 -8.465 -0.331 6.817 1.00 0.00 ZN