USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 872 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 ASN : amide:sc= -4.65! C(o=-6.9!,f=-12!) USER MOD Set 1.2: A 98 HIS :FLIP no HE2:sc= -2.24 F(o=-9.2!,f=-6.9) USER MOD Set 2.1: A 35 LYS NZ :NH3+ -146:sc= -2.73 (180deg=-3.88!) USER MOD Set 2.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 70 SER OG : rot 89:sc= 0.584 USER MOD Set 3.2: A 71 HIS :FLIP no HD1:sc= 0.289 F(o=-0.21,f=0.87) USER MOD Set 4.1: A 53 SER OG : rot -3:sc= 0.0868 USER MOD Set 4.2: A 68 ASN : amide:sc= 0.103 K(o=-2.6,f=-3.2) USER MOD Set 4.3: A 93 MET CE :methyl 152:sc= -3.49! (180deg=-4.26!) USER MOD Set 4.4: A 95 GLN :FLIP amide:sc= 0.393 F(o=-4.3,f=-2.6) USER MOD Set 4.5: A 100 SER OG : rot -87:sc= 0.983 USER MOD Set 4.6: A 103 SER OG : rot 70:sc= -0.661 USER MOD Set 5.1: A 52 TYR OH : rot 32:sc= -0.792 USER MOD Set 5.2: A 75 MET CE :methyl 169:sc= -1.19 (180deg=-1.43) USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.0407 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 41:sc= 0.00751 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 175:sc= 0.825 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.508 USER MOD Single : A 40 THR OG1 : rot 179:sc= 0.166 USER MOD Single : A 43 SER OG : rot 120:sc= 0.253 USER MOD Single : A 46 HIS : no HD1:sc= -0.0289 X(o=-0.029,f=-0.17) USER MOD Single : A 49 ASN : amide:sc= -0.456 X(o=-0.46,f=-0.14) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -178:sc= 0.0913 USER MOD Single : A 57 THR OG1 : rot 108:sc= 0.492 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 135:sc= 1.18 USER MOD Single : A 76 GLN : amide:sc= -0.977 K(o=-0.98,f=-5.5!) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 81 ASN : amide:sc= -0.353 X(o=-0.35,f=0) USER MOD Single : A 83 MET CE :methyl -173:sc= 0 (180deg=-0.0615) USER MOD Single : A 86 THR OG1 : rot -161:sc= 0.937 USER MOD Single : A 88 TYR OH : rot 30:sc= -0.487 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 110:sc= 0.229 USER MOD Single : A 111 THR OG1 : rot -159:sc= 1.94 USER MOD Single : A 112 GLN : amide:sc= -0.122 K(o=-0.12,f=-2.1) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.577 5.113 -15.870 1.00 0.00 N ATOM 2 CA GLY A 1 -18.392 5.345 -15.066 1.00 0.00 C ATOM 3 C GLY A 1 -18.058 6.818 -14.936 1.00 0.00 C ATOM 4 O GLY A 1 -18.944 7.670 -15.007 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.232 4.492 -15.352 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.045 6.020 -16.069 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.305 4.660 -16.766 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.542 4.921 -14.073 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.546 4.822 -15.512 1.00 0.00 H new ATOM 8 N SER A 2 -16.778 7.119 -14.745 1.00 0.00 N ATOM 9 CA SER A 2 -16.330 8.499 -14.599 1.00 0.00 C ATOM 10 C SER A 2 -15.464 8.917 -15.783 1.00 0.00 C ATOM 11 O SER A 2 -15.738 9.918 -16.445 1.00 0.00 O ATOM 12 CB SER A 2 -15.549 8.669 -13.295 1.00 0.00 C ATOM 13 OG SER A 2 -16.400 8.543 -12.170 1.00 0.00 O ATOM 0 H SER A 2 -16.032 6.425 -14.688 1.00 0.00 H new ATOM 0 HA SER A 2 -17.211 9.140 -14.572 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.758 7.921 -13.242 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.066 9.646 -13.282 1.00 0.00 H new ATOM 0 HG SER A 2 -15.876 8.654 -11.349 1.00 0.00 H new ATOM 19 N SER A 3 -14.416 8.141 -16.045 1.00 0.00 N ATOM 20 CA SER A 3 -13.506 8.432 -17.146 1.00 0.00 C ATOM 21 C SER A 3 -12.673 9.675 -16.849 1.00 0.00 C ATOM 22 O SER A 3 -12.463 10.518 -17.720 1.00 0.00 O ATOM 23 CB SER A 3 -14.290 8.628 -18.445 1.00 0.00 C ATOM 24 OG SER A 3 -13.513 8.257 -19.571 1.00 0.00 O ATOM 0 H SER A 3 -14.177 7.306 -15.510 1.00 0.00 H new ATOM 0 HA SER A 3 -12.832 7.583 -17.261 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.202 8.032 -18.416 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.594 9.671 -18.536 1.00 0.00 H new ATOM 0 HG SER A 3 -14.037 8.390 -20.388 1.00 0.00 H new ATOM 30 N GLY A 4 -12.200 9.781 -15.611 1.00 0.00 N ATOM 31 CA GLY A 4 -11.396 10.923 -15.219 1.00 0.00 C ATOM 32 C GLY A 4 -10.083 10.993 -15.974 1.00 0.00 C ATOM 33 O GLY A 4 -10.068 11.088 -17.201 1.00 0.00 O ATOM 0 H GLY A 4 -12.360 9.096 -14.872 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.961 11.839 -15.393 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.194 10.872 -14.149 1.00 0.00 H new ATOM 37 N SER A 5 -8.976 10.948 -15.238 1.00 0.00 N ATOM 38 CA SER A 5 -7.652 11.012 -15.845 1.00 0.00 C ATOM 39 C SER A 5 -6.664 10.130 -15.087 1.00 0.00 C ATOM 40 O SER A 5 -6.847 9.849 -13.903 1.00 0.00 O ATOM 41 CB SER A 5 -7.148 12.457 -15.869 1.00 0.00 C ATOM 42 OG SER A 5 -8.035 13.294 -16.590 1.00 0.00 O ATOM 0 H SER A 5 -8.970 10.868 -14.221 1.00 0.00 H new ATOM 0 HA SER A 5 -7.730 10.645 -16.868 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.043 12.826 -14.849 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.158 12.493 -16.324 1.00 0.00 H new ATOM 0 HG SER A 5 -7.692 14.212 -16.589 1.00 0.00 H new ATOM 48 N SER A 6 -5.616 9.697 -15.780 1.00 0.00 N ATOM 49 CA SER A 6 -4.600 8.843 -15.176 1.00 0.00 C ATOM 50 C SER A 6 -3.211 9.455 -15.334 1.00 0.00 C ATOM 51 O SER A 6 -2.499 9.669 -14.354 1.00 0.00 O ATOM 52 CB SER A 6 -4.631 7.451 -15.809 1.00 0.00 C ATOM 53 OG SER A 6 -3.586 6.638 -15.304 1.00 0.00 O ATOM 0 H SER A 6 -5.448 9.923 -16.760 1.00 0.00 H new ATOM 0 HA SER A 6 -4.821 8.756 -14.112 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.593 6.978 -15.609 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.538 7.538 -16.891 1.00 0.00 H new ATOM 0 HG SER A 6 -3.628 5.753 -15.723 1.00 0.00 H new ATOM 59 N GLY A 7 -2.833 9.735 -16.578 1.00 0.00 N ATOM 60 CA GLY A 7 -1.532 10.320 -16.844 1.00 0.00 C ATOM 61 C GLY A 7 -1.455 10.966 -18.213 1.00 0.00 C ATOM 62 O GLY A 7 -2.404 10.895 -18.993 1.00 0.00 O ATOM 0 H GLY A 7 -3.405 9.567 -17.406 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.310 11.066 -16.081 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.767 9.547 -16.767 1.00 0.00 H new ATOM 66 N GLU A 8 -0.323 11.600 -18.504 1.00 0.00 N ATOM 67 CA GLU A 8 -0.129 12.263 -19.788 1.00 0.00 C ATOM 68 C GLU A 8 1.216 11.881 -20.400 1.00 0.00 C ATOM 69 O GLU A 8 1.289 11.472 -21.559 1.00 0.00 O ATOM 70 CB GLU A 8 -0.211 13.782 -19.619 1.00 0.00 C ATOM 71 CG GLU A 8 -1.619 14.335 -19.764 1.00 0.00 C ATOM 72 CD GLU A 8 -2.504 13.994 -18.581 1.00 0.00 C ATOM 73 OE1 GLU A 8 -2.148 14.374 -17.446 1.00 0.00 O ATOM 74 OE2 GLU A 8 -3.552 13.348 -18.790 1.00 0.00 O ATOM 0 H GLU A 8 0.472 11.668 -17.869 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.921 11.935 -20.461 1.00 0.00 H new ATOM 0 HB2 GLU A 8 0.177 14.051 -18.637 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.435 14.257 -20.358 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.570 15.418 -19.876 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.068 13.940 -20.675 1.00 0.00 H new ATOM 81 N HIS A 9 2.278 12.017 -19.612 1.00 0.00 N ATOM 82 CA HIS A 9 3.621 11.686 -20.076 1.00 0.00 C ATOM 83 C HIS A 9 4.599 11.624 -18.907 1.00 0.00 C ATOM 84 O HIS A 9 4.269 12.014 -17.787 1.00 0.00 O ATOM 85 CB HIS A 9 4.098 12.715 -21.101 1.00 0.00 C ATOM 86 CG HIS A 9 4.568 13.998 -20.488 1.00 0.00 C ATOM 87 ND1 HIS A 9 5.810 14.542 -20.740 1.00 0.00 N ATOM 88 CD2 HIS A 9 3.954 14.847 -19.631 1.00 0.00 C ATOM 89 CE1 HIS A 9 5.940 15.669 -20.063 1.00 0.00 C ATOM 90 NE2 HIS A 9 4.828 15.877 -19.382 1.00 0.00 N ATOM 0 H HIS A 9 2.235 12.354 -18.650 1.00 0.00 H new ATOM 0 HA HIS A 9 3.584 10.705 -20.549 1.00 0.00 H new ATOM 0 HB2 HIS A 9 4.910 12.283 -21.687 1.00 0.00 H new ATOM 0 HB3 HIS A 9 3.284 12.930 -21.794 1.00 0.00 H new ATOM 0 HD2 HIS A 9 2.962 14.735 -19.220 1.00 0.00 H new ATOM 0 HE1 HIS A 9 6.808 16.311 -20.066 1.00 0.00 H new ATOM 0 HE2 HIS A 9 4.647 16.673 -18.770 1.00 0.00 H new ATOM 99 N ALA A 10 5.804 11.132 -19.175 1.00 0.00 N ATOM 100 CA ALA A 10 6.831 11.021 -18.146 1.00 0.00 C ATOM 101 C ALA A 10 8.003 11.952 -18.437 1.00 0.00 C ATOM 102 O ALA A 10 8.809 11.712 -19.336 1.00 0.00 O ATOM 103 CB ALA A 10 7.312 9.582 -18.035 1.00 0.00 C ATOM 0 H ALA A 10 6.093 10.804 -20.096 1.00 0.00 H new ATOM 0 HA ALA A 10 6.392 11.320 -17.195 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.079 9.513 -17.263 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.473 8.937 -17.772 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.729 9.263 -18.990 1.00 0.00 H new ATOM 109 N PRO A 11 8.101 13.041 -17.660 1.00 0.00 N ATOM 110 CA PRO A 11 9.172 14.030 -17.816 1.00 0.00 C ATOM 111 C PRO A 11 10.531 13.484 -17.392 1.00 0.00 C ATOM 112 O PRO A 11 10.639 12.756 -16.406 1.00 0.00 O ATOM 113 CB PRO A 11 8.740 15.169 -16.888 1.00 0.00 C ATOM 114 CG PRO A 11 7.878 14.516 -15.863 1.00 0.00 C ATOM 115 CD PRO A 11 7.176 13.390 -16.569 1.00 0.00 C ATOM 0 HA PRO A 11 9.299 14.333 -18.855 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.602 15.655 -16.430 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.193 15.938 -17.433 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.475 14.143 -15.031 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.161 15.224 -15.448 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.003 12.544 -15.903 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.203 13.700 -16.951 1.00 0.00 H new ATOM 123 N ALA A 12 11.568 13.842 -18.144 1.00 0.00 N ATOM 124 CA ALA A 12 12.921 13.390 -17.844 1.00 0.00 C ATOM 125 C ALA A 12 13.242 13.563 -16.364 1.00 0.00 C ATOM 126 O ALA A 12 13.345 14.686 -15.867 1.00 0.00 O ATOM 127 CB ALA A 12 13.930 14.144 -18.698 1.00 0.00 C ATOM 0 H ALA A 12 11.496 14.443 -18.965 1.00 0.00 H new ATOM 0 HA ALA A 12 12.984 12.328 -18.080 1.00 0.00 H new ATOM 0 HB1 ALA A 12 14.936 13.797 -18.464 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.720 13.965 -19.752 1.00 0.00 H new ATOM 0 HB3 ALA A 12 13.857 15.211 -18.490 1.00 0.00 H new ATOM 133 N THR A 13 13.400 12.445 -15.662 1.00 0.00 N ATOM 134 CA THR A 13 13.708 12.474 -14.238 1.00 0.00 C ATOM 135 C THR A 13 15.187 12.757 -14.001 1.00 0.00 C ATOM 136 O THR A 13 16.053 11.987 -14.417 1.00 0.00 O ATOM 137 CB THR A 13 13.337 11.144 -13.556 1.00 0.00 C ATOM 138 OG1 THR A 13 13.421 11.282 -12.133 1.00 0.00 O ATOM 139 CG2 THR A 13 14.258 10.024 -14.017 1.00 0.00 C ATOM 0 H THR A 13 13.320 11.508 -16.057 1.00 0.00 H new ATOM 0 HA THR A 13 13.112 13.276 -13.802 1.00 0.00 H new ATOM 0 HB THR A 13 12.314 10.891 -13.836 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.182 10.432 -11.707 1.00 0.00 H new ATOM 0 HG21 THR A 13 13.977 9.095 -13.522 1.00 0.00 H new ATOM 0 HG22 THR A 13 14.170 9.901 -15.096 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.288 10.273 -13.763 1.00 0.00 H new ATOM 147 N THR A 14 15.472 13.869 -13.329 1.00 0.00 N ATOM 148 CA THR A 14 16.847 14.254 -13.037 1.00 0.00 C ATOM 149 C THR A 14 16.997 14.699 -11.586 1.00 0.00 C ATOM 150 O THR A 14 16.218 15.513 -11.093 1.00 0.00 O ATOM 151 CB THR A 14 17.319 15.392 -13.962 1.00 0.00 C ATOM 152 OG1 THR A 14 16.310 16.403 -14.050 1.00 0.00 O ATOM 153 CG2 THR A 14 17.637 14.862 -15.352 1.00 0.00 C ATOM 0 H THR A 14 14.768 14.518 -12.977 1.00 0.00 H new ATOM 0 HA THR A 14 17.466 13.374 -13.210 1.00 0.00 H new ATOM 0 HB THR A 14 18.226 15.822 -13.538 1.00 0.00 H new ATOM 0 HG1 THR A 14 15.921 16.555 -13.163 1.00 0.00 H new ATOM 0 HG21 THR A 14 17.968 15.683 -15.988 1.00 0.00 H new ATOM 0 HG22 THR A 14 18.427 14.114 -15.284 1.00 0.00 H new ATOM 0 HG23 THR A 14 16.744 14.408 -15.782 1.00 0.00 H new ATOM 161 N GLY A 15 18.004 14.158 -10.908 1.00 0.00 N ATOM 162 CA GLY A 15 18.238 14.511 -9.520 1.00 0.00 C ATOM 163 C GLY A 15 17.841 13.403 -8.564 1.00 0.00 C ATOM 164 O GLY A 15 17.492 12.296 -8.974 1.00 0.00 O ATOM 0 H GLY A 15 18.662 13.482 -11.295 1.00 0.00 H new ATOM 0 HA2 GLY A 15 19.293 14.745 -9.381 1.00 0.00 H new ATOM 0 HA3 GLY A 15 17.676 15.413 -9.278 1.00 0.00 H new ATOM 168 N PRO A 16 17.894 13.697 -7.257 1.00 0.00 N ATOM 169 CA PRO A 16 17.543 12.729 -6.213 1.00 0.00 C ATOM 170 C PRO A 16 16.049 12.425 -6.184 1.00 0.00 C ATOM 171 O PRO A 16 15.231 13.240 -6.614 1.00 0.00 O ATOM 172 CB PRO A 16 17.971 13.430 -4.921 1.00 0.00 C ATOM 173 CG PRO A 16 17.925 14.883 -5.245 1.00 0.00 C ATOM 174 CD PRO A 16 18.302 14.996 -6.696 1.00 0.00 C ATOM 0 HA PRO A 16 18.027 11.765 -6.371 1.00 0.00 H new ATOM 0 HB2 PRO A 16 17.300 13.187 -4.098 1.00 0.00 H new ATOM 0 HB3 PRO A 16 18.972 13.124 -4.617 1.00 0.00 H new ATOM 0 HG2 PRO A 16 16.930 15.291 -5.067 1.00 0.00 H new ATOM 0 HG3 PRO A 16 18.617 15.445 -4.617 1.00 0.00 H new ATOM 0 HD2 PRO A 16 17.785 15.824 -7.182 1.00 0.00 H new ATOM 0 HD3 PRO A 16 19.371 15.170 -6.821 1.00 0.00 H new ATOM 182 N LEU A 17 15.699 11.249 -5.675 1.00 0.00 N ATOM 183 CA LEU A 17 14.302 10.838 -5.590 1.00 0.00 C ATOM 184 C LEU A 17 13.889 10.611 -4.139 1.00 0.00 C ATOM 185 O LEU A 17 14.709 10.300 -3.275 1.00 0.00 O ATOM 186 CB LEU A 17 14.075 9.562 -6.402 1.00 0.00 C ATOM 187 CG LEU A 17 14.086 9.724 -7.922 1.00 0.00 C ATOM 188 CD1 LEU A 17 14.180 8.367 -8.603 1.00 0.00 C ATOM 189 CD2 LEU A 17 12.845 10.471 -8.388 1.00 0.00 C ATOM 0 H LEU A 17 16.363 10.563 -5.315 1.00 0.00 H new ATOM 0 HA LEU A 17 13.688 11.638 -6.003 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.843 8.839 -6.128 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.116 9.134 -6.109 1.00 0.00 H new ATOM 0 HG LEU A 17 14.963 10.309 -8.199 1.00 0.00 H new ATOM 0 HD11 LEU A 17 14.187 8.502 -9.685 1.00 0.00 H new ATOM 0 HD12 LEU A 17 15.098 7.868 -8.294 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.322 7.757 -8.319 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.870 10.577 -9.473 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.954 9.913 -8.098 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.820 11.459 -7.927 1.00 0.00 H new ATOM 201 N PRO A 18 12.585 10.768 -3.863 1.00 0.00 N ATOM 202 CA PRO A 18 12.033 10.582 -2.518 1.00 0.00 C ATOM 203 C PRO A 18 12.051 9.121 -2.081 1.00 0.00 C ATOM 204 O PRO A 18 12.533 8.252 -2.806 1.00 0.00 O ATOM 205 CB PRO A 18 10.593 11.082 -2.653 1.00 0.00 C ATOM 206 CG PRO A 18 10.266 10.908 -4.096 1.00 0.00 C ATOM 207 CD PRO A 18 11.551 11.138 -4.843 1.00 0.00 C ATOM 0 HA PRO A 18 12.613 11.112 -1.763 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.914 10.509 -2.021 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.506 12.126 -2.350 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.875 9.909 -4.290 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.500 11.616 -4.411 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.610 10.523 -5.741 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.651 12.176 -5.161 1.00 0.00 H new ATOM 215 N SER A 19 11.521 8.858 -0.890 1.00 0.00 N ATOM 216 CA SER A 19 11.478 7.502 -0.355 1.00 0.00 C ATOM 217 C SER A 19 10.055 7.115 0.033 1.00 0.00 C ATOM 218 O SER A 19 9.383 7.836 0.771 1.00 0.00 O ATOM 219 CB SER A 19 12.401 7.382 0.859 1.00 0.00 C ATOM 220 OG SER A 19 12.270 6.112 1.475 1.00 0.00 O ATOM 0 H SER A 19 11.116 9.566 -0.278 1.00 0.00 H new ATOM 0 HA SER A 19 11.821 6.820 -1.133 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.435 7.535 0.550 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.164 8.165 1.579 1.00 0.00 H new ATOM 0 HG SER A 19 12.871 6.059 2.247 1.00 0.00 H new ATOM 226 N ALA A 20 9.601 5.972 -0.470 1.00 0.00 N ATOM 227 CA ALA A 20 8.258 5.487 -0.175 1.00 0.00 C ATOM 228 C ALA A 20 7.845 5.846 1.249 1.00 0.00 C ATOM 229 O ALA A 20 8.678 5.990 2.144 1.00 0.00 O ATOM 230 CB ALA A 20 8.182 3.982 -0.385 1.00 0.00 C ATOM 0 H ALA A 20 10.143 5.364 -1.084 1.00 0.00 H new ATOM 0 HA ALA A 20 7.564 5.974 -0.860 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.174 3.634 -0.161 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.425 3.746 -1.421 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.892 3.486 0.276 1.00 0.00 H new ATOM 236 N PRO A 21 6.530 5.995 1.465 1.00 0.00 N ATOM 237 CA PRO A 21 5.977 6.339 2.778 1.00 0.00 C ATOM 238 C PRO A 21 6.112 5.198 3.781 1.00 0.00 C ATOM 239 O PRO A 21 6.496 4.085 3.420 1.00 0.00 O ATOM 240 CB PRO A 21 4.502 6.617 2.480 1.00 0.00 C ATOM 241 CG PRO A 21 4.210 5.834 1.247 1.00 0.00 C ATOM 242 CD PRO A 21 5.481 5.838 0.443 1.00 0.00 C ATOM 0 HA PRO A 21 6.500 7.180 3.233 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.865 6.304 3.308 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.323 7.681 2.325 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.907 4.816 1.494 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.391 6.283 0.685 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.603 4.913 -0.120 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.498 6.655 -0.279 1.00 0.00 H new ATOM 250 N ARG A 22 5.794 5.481 5.039 1.00 0.00 N ATOM 251 CA ARG A 22 5.881 4.478 6.094 1.00 0.00 C ATOM 252 C ARG A 22 4.516 4.245 6.736 1.00 0.00 C ATOM 253 O ARG A 22 3.519 4.846 6.334 1.00 0.00 O ATOM 254 CB ARG A 22 6.890 4.913 7.159 1.00 0.00 C ATOM 255 CG ARG A 22 8.226 5.357 6.587 1.00 0.00 C ATOM 256 CD ARG A 22 9.019 6.175 7.593 1.00 0.00 C ATOM 257 NE ARG A 22 8.640 7.586 7.572 1.00 0.00 N ATOM 258 CZ ARG A 22 8.978 8.452 8.520 1.00 0.00 C ATOM 259 NH1 ARG A 22 9.698 8.054 9.560 1.00 0.00 N ATOM 260 NH2 ARG A 22 8.596 9.719 8.430 1.00 0.00 N ATOM 0 H ARG A 22 5.474 6.397 5.353 1.00 0.00 H new ATOM 0 HA ARG A 22 6.217 3.543 5.645 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.463 5.731 7.739 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.057 4.086 7.849 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.805 4.482 6.291 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.059 5.948 5.687 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.860 5.772 8.593 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.083 6.082 7.377 1.00 0.00 H new ATOM 0 HE ARG A 22 8.085 7.924 6.786 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.994 7.081 9.633 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.956 8.721 10.287 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.042 10.029 7.632 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.856 10.383 9.159 1.00 0.00 H new ATOM 274 N ASP A 23 4.480 3.369 7.734 1.00 0.00 N ATOM 275 CA ASP A 23 3.238 3.057 8.432 1.00 0.00 C ATOM 276 C ASP A 23 2.124 2.735 7.441 1.00 0.00 C ATOM 277 O ASP A 23 0.986 3.177 7.605 1.00 0.00 O ATOM 278 CB ASP A 23 2.822 4.226 9.325 1.00 0.00 C ATOM 279 CG ASP A 23 3.907 4.619 10.307 1.00 0.00 C ATOM 280 OD1 ASP A 23 4.397 3.732 11.037 1.00 0.00 O ATOM 281 OD2 ASP A 23 4.267 5.814 10.346 1.00 0.00 O ATOM 0 H ASP A 23 5.296 2.863 8.078 1.00 0.00 H new ATOM 0 HA ASP A 23 3.411 2.179 9.054 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.572 5.084 8.702 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.919 3.957 9.874 1.00 0.00 H new ATOM 286 N VAL A 24 2.458 1.964 6.411 1.00 0.00 N ATOM 287 CA VAL A 24 1.486 1.583 5.393 1.00 0.00 C ATOM 288 C VAL A 24 0.519 0.531 5.924 1.00 0.00 C ATOM 289 O VAL A 24 0.883 -0.633 6.095 1.00 0.00 O ATOM 290 CB VAL A 24 2.180 1.037 4.131 1.00 0.00 C ATOM 291 CG1 VAL A 24 1.150 0.556 3.121 1.00 0.00 C ATOM 292 CG2 VAL A 24 3.084 2.097 3.520 1.00 0.00 C ATOM 0 H VAL A 24 3.395 1.591 6.259 1.00 0.00 H new ATOM 0 HA VAL A 24 0.931 2.484 5.132 1.00 0.00 H new ATOM 0 HB VAL A 24 2.798 0.186 4.416 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.659 0.174 2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.548 -0.237 3.565 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.503 1.386 2.837 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.566 1.694 2.629 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.490 2.969 3.248 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.845 2.388 4.244 1.00 0.00 H new ATOM 302 N VAL A 25 -0.717 0.947 6.182 1.00 0.00 N ATOM 303 CA VAL A 25 -1.738 0.040 6.692 1.00 0.00 C ATOM 304 C VAL A 25 -3.066 0.249 5.972 1.00 0.00 C ATOM 305 O VAL A 25 -3.208 1.164 5.162 1.00 0.00 O ATOM 306 CB VAL A 25 -1.952 0.229 8.205 1.00 0.00 C ATOM 307 CG1 VAL A 25 -0.624 0.158 8.945 1.00 0.00 C ATOM 308 CG2 VAL A 25 -2.657 1.548 8.483 1.00 0.00 C ATOM 0 H VAL A 25 -1.035 1.907 6.046 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.382 -0.974 6.507 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.587 -0.579 8.568 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.795 0.294 10.013 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.163 -0.814 8.772 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.038 0.944 8.581 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.800 1.665 9.557 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.050 2.371 8.106 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.627 1.554 7.985 1.00 0.00 H new ATOM 318 N ALA A 26 -4.037 -0.607 6.275 1.00 0.00 N ATOM 319 CA ALA A 26 -5.355 -0.515 5.659 1.00 0.00 C ATOM 320 C ALA A 26 -6.402 -0.056 6.668 1.00 0.00 C ATOM 321 O ALA A 26 -6.859 -0.838 7.502 1.00 0.00 O ATOM 322 CB ALA A 26 -5.751 -1.855 5.057 1.00 0.00 C ATOM 0 H ALA A 26 -3.936 -1.371 6.943 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.306 0.228 4.863 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.737 -1.772 4.601 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.023 -2.142 4.298 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.777 -2.612 5.840 1.00 0.00 H new ATOM 328 N SER A 27 -6.777 1.216 6.588 1.00 0.00 N ATOM 329 CA SER A 27 -7.767 1.780 7.498 1.00 0.00 C ATOM 330 C SER A 27 -9.038 0.935 7.510 1.00 0.00 C ATOM 331 O SER A 27 -9.806 0.961 8.473 1.00 0.00 O ATOM 332 CB SER A 27 -8.101 3.218 7.095 1.00 0.00 C ATOM 333 OG SER A 27 -9.309 3.649 7.698 1.00 0.00 O ATOM 0 H SER A 27 -6.410 1.876 5.902 1.00 0.00 H new ATOM 0 HA SER A 27 -7.342 1.781 8.502 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.287 3.880 7.390 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.188 3.284 6.011 1.00 0.00 H new ATOM 0 HG SER A 27 -9.500 4.571 7.426 1.00 0.00 H new ATOM 339 N LEU A 28 -9.253 0.187 6.434 1.00 0.00 N ATOM 340 CA LEU A 28 -10.430 -0.667 6.318 1.00 0.00 C ATOM 341 C LEU A 28 -10.306 -1.606 5.123 1.00 0.00 C ATOM 342 O LEU A 28 -9.603 -1.310 4.157 1.00 0.00 O ATOM 343 CB LEU A 28 -11.692 0.187 6.182 1.00 0.00 C ATOM 344 CG LEU A 28 -12.903 -0.501 5.550 1.00 0.00 C ATOM 345 CD1 LEU A 28 -14.193 0.165 6.004 1.00 0.00 C ATOM 346 CD2 LEU A 28 -12.796 -0.482 4.033 1.00 0.00 C ATOM 0 H LEU A 28 -8.628 0.154 5.629 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.502 -1.270 7.223 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.976 0.540 7.173 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.448 1.068 5.588 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.919 -1.540 5.880 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.044 -0.338 5.544 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.275 0.098 7.089 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.186 1.213 5.705 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.666 -0.976 3.601 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.754 0.550 3.684 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.891 -1.006 3.725 1.00 0.00 H new ATOM 358 N VAL A 29 -10.996 -2.741 5.194 1.00 0.00 N ATOM 359 CA VAL A 29 -10.966 -3.723 4.117 1.00 0.00 C ATOM 360 C VAL A 29 -12.375 -4.059 3.641 1.00 0.00 C ATOM 361 O VAL A 29 -13.089 -4.832 4.279 1.00 0.00 O ATOM 362 CB VAL A 29 -10.263 -5.019 4.559 1.00 0.00 C ATOM 363 CG1 VAL A 29 -10.472 -6.119 3.529 1.00 0.00 C ATOM 364 CG2 VAL A 29 -8.780 -4.769 4.790 1.00 0.00 C ATOM 0 H VAL A 29 -11.582 -3.002 5.987 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.405 -3.276 3.296 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.704 -5.347 5.500 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.968 -7.027 3.859 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.538 -6.316 3.418 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.060 -5.803 2.571 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.299 -5.696 5.102 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.322 -4.416 3.866 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.655 -4.016 5.568 1.00 0.00 H new ATOM 374 N SER A 30 -12.768 -3.473 2.515 1.00 0.00 N ATOM 375 CA SER A 30 -14.094 -3.707 1.953 1.00 0.00 C ATOM 376 C SER A 30 -14.095 -4.947 1.064 1.00 0.00 C ATOM 377 O SER A 30 -13.041 -5.438 0.660 1.00 0.00 O ATOM 378 CB SER A 30 -14.554 -2.489 1.150 1.00 0.00 C ATOM 379 OG SER A 30 -15.486 -2.860 0.150 1.00 0.00 O ATOM 0 H SER A 30 -12.188 -2.833 1.973 1.00 0.00 H new ATOM 0 HA SER A 30 -14.787 -3.871 2.778 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.006 -1.758 1.820 1.00 0.00 H new ATOM 0 HB3 SER A 30 -13.692 -2.008 0.688 1.00 0.00 H new ATOM 0 HG SER A 30 -15.820 -2.056 -0.300 1.00 0.00 H new ATOM 385 N THR A 31 -15.289 -5.449 0.762 1.00 0.00 N ATOM 386 CA THR A 31 -15.430 -6.632 -0.078 1.00 0.00 C ATOM 387 C THR A 31 -15.168 -6.300 -1.543 1.00 0.00 C ATOM 388 O THR A 31 -14.737 -7.156 -2.315 1.00 0.00 O ATOM 389 CB THR A 31 -16.834 -7.250 0.054 1.00 0.00 C ATOM 390 OG1 THR A 31 -17.831 -6.279 -0.285 1.00 0.00 O ATOM 391 CG2 THR A 31 -17.072 -7.756 1.469 1.00 0.00 C ATOM 0 H THR A 31 -16.172 -5.055 1.087 1.00 0.00 H new ATOM 0 HA THR A 31 -14.690 -7.354 0.266 1.00 0.00 H new ATOM 0 HB THR A 31 -16.901 -8.094 -0.633 1.00 0.00 H new ATOM 0 HG1 THR A 31 -18.721 -6.681 -0.200 1.00 0.00 H new ATOM 0 HG21 THR A 31 -18.070 -8.188 1.538 1.00 0.00 H new ATOM 0 HG22 THR A 31 -16.330 -8.516 1.713 1.00 0.00 H new ATOM 0 HG23 THR A 31 -16.987 -6.927 2.171 1.00 0.00 H new ATOM 399 N ARG A 32 -15.431 -5.053 -1.918 1.00 0.00 N ATOM 400 CA ARG A 32 -15.225 -4.609 -3.291 1.00 0.00 C ATOM 401 C ARG A 32 -14.102 -3.578 -3.366 1.00 0.00 C ATOM 402 O ARG A 32 -13.762 -3.093 -4.445 1.00 0.00 O ATOM 403 CB ARG A 32 -16.516 -4.015 -3.858 1.00 0.00 C ATOM 404 CG ARG A 32 -17.698 -4.968 -3.807 1.00 0.00 C ATOM 405 CD ARG A 32 -18.942 -4.347 -4.424 1.00 0.00 C ATOM 406 NE ARG A 32 -19.732 -3.613 -3.439 1.00 0.00 N ATOM 407 CZ ARG A 32 -20.652 -2.710 -3.761 1.00 0.00 C ATOM 408 NH1 ARG A 32 -20.896 -2.432 -5.034 1.00 0.00 N ATOM 409 NH2 ARG A 32 -21.331 -2.084 -2.808 1.00 0.00 N ATOM 0 H ARG A 32 -15.787 -4.332 -1.290 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.940 -5.476 -3.887 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -16.765 -3.111 -3.302 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -16.345 -3.716 -4.892 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -17.448 -5.888 -4.336 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -17.902 -5.241 -2.772 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -18.650 -3.673 -5.229 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -19.555 -5.130 -4.870 1.00 0.00 H new ATOM 0 HE ARG A 32 -19.569 -3.804 -2.450 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -20.377 -2.912 -5.769 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -21.603 -1.738 -5.278 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -21.147 -2.296 -1.827 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -22.037 -1.391 -3.056 1.00 0.00 H new ATOM 423 N PHE A 33 -13.532 -3.247 -2.212 1.00 0.00 N ATOM 424 CA PHE A 33 -12.449 -2.273 -2.146 1.00 0.00 C ATOM 425 C PHE A 33 -11.681 -2.401 -0.834 1.00 0.00 C ATOM 426 O PHE A 33 -11.998 -3.247 0.002 1.00 0.00 O ATOM 427 CB PHE A 33 -13.002 -0.853 -2.290 1.00 0.00 C ATOM 428 CG PHE A 33 -13.534 -0.285 -1.005 1.00 0.00 C ATOM 429 CD1 PHE A 33 -12.689 0.356 -0.113 1.00 0.00 C ATOM 430 CD2 PHE A 33 -14.879 -0.391 -0.690 1.00 0.00 C ATOM 431 CE1 PHE A 33 -13.175 0.880 1.069 1.00 0.00 C ATOM 432 CE2 PHE A 33 -15.371 0.132 0.491 1.00 0.00 C ATOM 433 CZ PHE A 33 -14.518 0.767 1.372 1.00 0.00 C ATOM 0 H PHE A 33 -13.802 -3.639 -1.310 1.00 0.00 H new ATOM 0 HA PHE A 33 -11.763 -2.474 -2.969 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -12.214 -0.201 -2.668 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -13.798 -0.855 -3.034 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -11.638 0.447 -0.345 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -15.550 -0.888 -1.375 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -12.506 1.377 1.755 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -16.422 0.044 0.725 1.00 0.00 H new ATOM 0 HZ PHE A 33 -14.900 1.175 2.296 1.00 0.00 H new ATOM 443 N ILE A 34 -10.670 -1.556 -0.663 1.00 0.00 N ATOM 444 CA ILE A 34 -9.857 -1.575 0.547 1.00 0.00 C ATOM 445 C ILE A 34 -9.316 -0.185 0.867 1.00 0.00 C ATOM 446 O ILE A 34 -8.706 0.467 0.019 1.00 0.00 O ATOM 447 CB ILE A 34 -8.676 -2.555 0.417 1.00 0.00 C ATOM 448 CG1 ILE A 34 -9.185 -3.961 0.092 1.00 0.00 C ATOM 449 CG2 ILE A 34 -7.854 -2.567 1.697 1.00 0.00 C ATOM 450 CD1 ILE A 34 -8.085 -4.933 -0.272 1.00 0.00 C ATOM 0 H ILE A 34 -10.394 -0.850 -1.346 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.506 -1.906 1.358 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.036 -2.222 -0.400 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.731 -4.349 0.952 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -9.893 -3.900 -0.734 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.023 -3.264 1.589 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.466 -1.567 1.889 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.483 -2.878 2.531 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.519 -5.909 -0.490 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.553 -4.568 -1.151 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.389 -5.024 0.562 1.00 0.00 H new ATOM 462 N LYS A 35 -9.542 0.262 2.098 1.00 0.00 N ATOM 463 CA LYS A 35 -9.075 1.573 2.533 1.00 0.00 C ATOM 464 C LYS A 35 -7.621 1.509 2.990 1.00 0.00 C ATOM 465 O LYS A 35 -7.275 0.739 3.887 1.00 0.00 O ATOM 466 CB LYS A 35 -9.955 2.099 3.669 1.00 0.00 C ATOM 467 CG LYS A 35 -9.677 3.547 4.034 1.00 0.00 C ATOM 468 CD LYS A 35 -10.344 4.506 3.062 1.00 0.00 C ATOM 469 CE LYS A 35 -9.630 5.848 3.025 1.00 0.00 C ATOM 470 NZ LYS A 35 -8.554 5.876 1.996 1.00 0.00 N ATOM 0 H LYS A 35 -10.046 -0.264 2.812 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.141 2.254 1.685 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.002 2.000 3.382 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.806 1.476 4.551 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.036 3.744 5.044 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.601 3.722 4.038 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.350 4.068 2.064 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.384 4.654 3.351 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.352 6.638 2.817 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.201 6.058 4.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.768 6.468 2.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.211 4.909 1.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.931 6.271 1.111 1.00 0.00 H new ATOM 484 N LEU A 36 -6.774 2.323 2.369 1.00 0.00 N ATOM 485 CA LEU A 36 -5.357 2.360 2.714 1.00 0.00 C ATOM 486 C LEU A 36 -5.020 3.626 3.496 1.00 0.00 C ATOM 487 O LEU A 36 -5.717 4.636 3.395 1.00 0.00 O ATOM 488 CB LEU A 36 -4.503 2.287 1.447 1.00 0.00 C ATOM 489 CG LEU A 36 -4.112 0.883 0.982 1.00 0.00 C ATOM 490 CD1 LEU A 36 -3.226 0.205 2.015 1.00 0.00 C ATOM 491 CD2 LEU A 36 -5.354 0.047 0.711 1.00 0.00 C ATOM 0 H LEU A 36 -7.044 2.966 1.624 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.138 1.497 3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.045 2.778 0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.591 2.860 1.614 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.548 0.973 0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.958 -0.792 1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.320 0.794 2.160 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.763 0.127 2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.058 -0.949 0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.944 -0.034 1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.951 0.524 -0.066 1.00 0.00 H new ATOM 503 N THR A 37 -3.944 3.565 4.274 1.00 0.00 N ATOM 504 CA THR A 37 -3.513 4.706 5.072 1.00 0.00 C ATOM 505 C THR A 37 -2.027 4.615 5.403 1.00 0.00 C ATOM 506 O THR A 37 -1.549 3.584 5.875 1.00 0.00 O ATOM 507 CB THR A 37 -4.314 4.808 6.384 1.00 0.00 C ATOM 508 OG1 THR A 37 -4.412 3.519 7.000 1.00 0.00 O ATOM 509 CG2 THR A 37 -5.707 5.360 6.126 1.00 0.00 C ATOM 0 H THR A 37 -3.355 2.738 4.368 1.00 0.00 H new ATOM 0 HA THR A 37 -3.695 5.598 4.473 1.00 0.00 H new ATOM 0 HB THR A 37 -3.789 5.490 7.052 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.921 3.593 7.834 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.254 5.423 7.067 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.629 6.354 5.685 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.239 4.700 5.441 1.00 0.00 H new ATOM 517 N TRP A 38 -1.304 5.700 5.153 1.00 0.00 N ATOM 518 CA TRP A 38 0.129 5.743 5.425 1.00 0.00 C ATOM 519 C TRP A 38 0.559 7.140 5.859 1.00 0.00 C ATOM 520 O TRP A 38 -0.150 8.119 5.624 1.00 0.00 O ATOM 521 CB TRP A 38 0.917 5.315 4.186 1.00 0.00 C ATOM 522 CG TRP A 38 0.663 6.183 2.991 1.00 0.00 C ATOM 523 CD1 TRP A 38 1.262 7.376 2.702 1.00 0.00 C ATOM 524 CD2 TRP A 38 -0.259 5.927 1.926 1.00 0.00 C ATOM 525 NE1 TRP A 38 0.768 7.877 1.522 1.00 0.00 N ATOM 526 CE2 TRP A 38 -0.166 7.006 1.025 1.00 0.00 C ATOM 527 CE3 TRP A 38 -1.152 4.890 1.644 1.00 0.00 C ATOM 528 CZ2 TRP A 38 -0.933 7.076 -0.134 1.00 0.00 C ATOM 529 CZ3 TRP A 38 -1.914 4.961 0.493 1.00 0.00 C ATOM 530 CH2 TRP A 38 -1.800 6.047 -0.385 1.00 0.00 C ATOM 0 H TRP A 38 -1.685 6.562 4.763 1.00 0.00 H new ATOM 0 HA TRP A 38 0.340 5.049 6.239 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.982 5.331 4.418 1.00 0.00 H new ATOM 0 HB3 TRP A 38 0.660 4.285 3.939 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.014 7.855 3.312 1.00 0.00 H new ATOM 0 HE1 TRP A 38 1.051 8.755 1.086 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.245 4.048 2.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -0.847 7.913 -0.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.609 4.166 0.267 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -2.408 6.073 -1.277 1.00 0.00 H new ATOM 541 N ARG A 39 1.723 7.225 6.494 1.00 0.00 N ATOM 542 CA ARG A 39 2.247 8.503 6.962 1.00 0.00 C ATOM 543 C ARG A 39 3.197 9.110 5.934 1.00 0.00 C ATOM 544 O ARG A 39 3.424 8.538 4.867 1.00 0.00 O ATOM 545 CB ARG A 39 2.970 8.324 8.298 1.00 0.00 C ATOM 546 CG ARG A 39 2.046 8.375 9.503 1.00 0.00 C ATOM 547 CD ARG A 39 0.685 7.774 9.187 1.00 0.00 C ATOM 548 NE ARG A 39 -0.217 8.750 8.581 1.00 0.00 N ATOM 549 CZ ARG A 39 -0.642 9.844 9.203 1.00 0.00 C ATOM 550 NH1 ARG A 39 -0.248 10.101 10.443 1.00 0.00 N ATOM 551 NH2 ARG A 39 -1.462 10.684 8.585 1.00 0.00 N ATOM 0 H ARG A 39 2.321 6.424 6.696 1.00 0.00 H new ATOM 0 HA ARG A 39 1.406 9.183 7.100 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.494 7.368 8.293 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.727 9.102 8.398 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.500 7.835 10.334 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.923 9.409 9.825 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.810 6.928 8.511 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.238 7.387 10.103 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.538 8.582 7.628 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.383 9.458 10.921 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.576 10.942 10.918 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.767 10.490 7.631 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.788 11.524 9.064 1.00 0.00 H new ATOM 565 N THR A 40 3.750 10.274 6.261 1.00 0.00 N ATOM 566 CA THR A 40 4.674 10.960 5.367 1.00 0.00 C ATOM 567 C THR A 40 6.016 10.240 5.306 1.00 0.00 C ATOM 568 O THR A 40 6.501 9.694 6.297 1.00 0.00 O ATOM 569 CB THR A 40 4.906 12.417 5.809 1.00 0.00 C ATOM 570 OG1 THR A 40 4.778 12.525 7.231 1.00 0.00 O ATOM 571 CG2 THR A 40 3.913 13.352 5.133 1.00 0.00 C ATOM 0 H THR A 40 3.574 10.761 7.139 1.00 0.00 H new ATOM 0 HA THR A 40 4.217 10.957 4.377 1.00 0.00 H new ATOM 0 HB THR A 40 5.914 12.707 5.513 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.944 13.451 7.505 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.096 14.375 5.460 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.033 13.290 4.051 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.898 13.061 5.403 1.00 0.00 H new ATOM 579 N PRO A 41 6.634 10.238 4.115 1.00 0.00 N ATOM 580 CA PRO A 41 7.930 9.589 3.897 1.00 0.00 C ATOM 581 C PRO A 41 9.070 10.322 4.596 1.00 0.00 C ATOM 582 O PRO A 41 9.042 11.544 4.735 1.00 0.00 O ATOM 583 CB PRO A 41 8.107 9.652 2.377 1.00 0.00 C ATOM 584 CG PRO A 41 7.285 10.819 1.948 1.00 0.00 C ATOM 585 CD PRO A 41 6.114 10.869 2.890 1.00 0.00 C ATOM 0 HA PRO A 41 7.952 8.577 4.301 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.154 9.784 2.106 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.768 8.732 1.900 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.863 11.742 1.995 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.952 10.704 0.917 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.789 11.893 3.073 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.255 10.328 2.493 1.00 0.00 H new ATOM 593 N ALA A 42 10.072 9.567 5.035 1.00 0.00 N ATOM 594 CA ALA A 42 11.222 10.145 5.717 1.00 0.00 C ATOM 595 C ALA A 42 11.806 11.308 4.921 1.00 0.00 C ATOM 596 O ALA A 42 12.237 12.309 5.493 1.00 0.00 O ATOM 597 CB ALA A 42 12.284 9.082 5.957 1.00 0.00 C ATOM 0 H ALA A 42 10.110 8.553 4.930 1.00 0.00 H new ATOM 0 HA ALA A 42 10.885 10.530 6.679 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.137 9.529 6.467 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.868 8.285 6.574 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.608 8.669 5.002 1.00 0.00 H new ATOM 603 N SER A 43 11.817 11.167 3.600 1.00 0.00 N ATOM 604 CA SER A 43 12.352 12.204 2.725 1.00 0.00 C ATOM 605 C SER A 43 11.477 13.453 2.765 1.00 0.00 C ATOM 606 O SER A 43 11.979 14.574 2.851 1.00 0.00 O ATOM 607 CB SER A 43 12.457 11.686 1.289 1.00 0.00 C ATOM 608 OG SER A 43 11.177 11.386 0.761 1.00 0.00 O ATOM 0 H SER A 43 11.462 10.345 3.112 1.00 0.00 H new ATOM 0 HA SER A 43 13.348 12.468 3.082 1.00 0.00 H new ATOM 0 HB2 SER A 43 12.946 12.434 0.664 1.00 0.00 H new ATOM 0 HB3 SER A 43 13.082 10.793 1.266 1.00 0.00 H new ATOM 0 HG SER A 43 11.013 11.937 -0.033 1.00 0.00 H new ATOM 614 N ASP A 44 10.166 13.251 2.702 1.00 0.00 N ATOM 615 CA ASP A 44 9.219 14.360 2.731 1.00 0.00 C ATOM 616 C ASP A 44 8.254 14.219 3.904 1.00 0.00 C ATOM 617 O ASP A 44 7.262 13.493 3.840 1.00 0.00 O ATOM 618 CB ASP A 44 8.438 14.427 1.418 1.00 0.00 C ATOM 619 CG ASP A 44 9.177 15.202 0.344 1.00 0.00 C ATOM 620 OD1 ASP A 44 10.058 14.611 -0.314 1.00 0.00 O ATOM 621 OD2 ASP A 44 8.873 16.399 0.162 1.00 0.00 O ATOM 0 H ASP A 44 9.734 12.330 2.630 1.00 0.00 H new ATOM 0 HA ASP A 44 9.783 15.284 2.856 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.243 13.415 1.063 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.470 14.894 1.598 1.00 0.00 H new ATOM 626 N PRO A 45 8.551 14.928 5.003 1.00 0.00 N ATOM 627 CA PRO A 45 7.722 14.899 6.212 1.00 0.00 C ATOM 628 C PRO A 45 6.377 15.589 6.011 1.00 0.00 C ATOM 629 O PRO A 45 5.498 15.521 6.870 1.00 0.00 O ATOM 630 CB PRO A 45 8.565 15.660 7.239 1.00 0.00 C ATOM 631 CG PRO A 45 9.432 16.558 6.426 1.00 0.00 C ATOM 632 CD PRO A 45 9.718 15.815 5.150 1.00 0.00 C ATOM 0 HA PRO A 45 7.476 13.880 6.512 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.936 16.230 7.923 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.160 14.978 7.846 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.931 17.504 6.222 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.355 16.793 6.956 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.816 16.494 4.303 1.00 0.00 H new ATOM 0 HD3 PRO A 45 10.647 15.249 5.214 1.00 0.00 H new ATOM 640 N HIS A 46 6.224 16.254 4.870 1.00 0.00 N ATOM 641 CA HIS A 46 4.985 16.956 4.555 1.00 0.00 C ATOM 642 C HIS A 46 4.315 16.351 3.325 1.00 0.00 C ATOM 643 O HIS A 46 3.099 16.440 3.161 1.00 0.00 O ATOM 644 CB HIS A 46 5.261 18.442 4.321 1.00 0.00 C ATOM 645 CG HIS A 46 5.289 19.251 5.580 1.00 0.00 C ATOM 646 ND1 HIS A 46 4.253 19.264 6.490 1.00 0.00 N ATOM 647 CD2 HIS A 46 6.237 20.079 6.080 1.00 0.00 C ATOM 648 CE1 HIS A 46 4.562 20.065 7.495 1.00 0.00 C ATOM 649 NE2 HIS A 46 5.761 20.571 7.270 1.00 0.00 N ATOM 0 H HIS A 46 6.942 16.321 4.149 1.00 0.00 H new ATOM 0 HA HIS A 46 4.310 16.849 5.404 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.217 18.549 3.809 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.496 18.845 3.657 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.190 20.309 5.627 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.940 20.271 8.354 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.254 21.222 7.881 1.00 0.00 H new ATOM 658 N GLY A 47 5.118 15.737 2.461 1.00 0.00 N ATOM 659 CA GLY A 47 4.585 15.127 1.257 1.00 0.00 C ATOM 660 C GLY A 47 3.394 15.883 0.703 1.00 0.00 C ATOM 661 O GLY A 47 2.461 15.282 0.171 1.00 0.00 O ATOM 0 H GLY A 47 6.128 15.651 2.574 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.367 15.082 0.499 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.291 14.100 1.473 1.00 0.00 H new ATOM 665 N ASP A 48 3.423 17.205 0.829 1.00 0.00 N ATOM 666 CA ASP A 48 2.337 18.045 0.337 1.00 0.00 C ATOM 667 C ASP A 48 2.600 18.487 -1.099 1.00 0.00 C ATOM 668 O ASP A 48 1.708 19.000 -1.773 1.00 0.00 O ATOM 669 CB ASP A 48 2.163 19.269 1.237 1.00 0.00 C ATOM 670 CG ASP A 48 0.736 19.781 1.249 1.00 0.00 C ATOM 671 OD1 ASP A 48 -0.192 18.950 1.344 1.00 0.00 O ATOM 672 OD2 ASP A 48 0.547 21.013 1.164 1.00 0.00 O ATOM 0 H ASP A 48 4.187 17.719 1.268 1.00 0.00 H new ATOM 0 HA ASP A 48 1.419 17.457 0.355 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.463 19.014 2.253 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.828 20.063 0.898 1.00 0.00 H new ATOM 677 N ASN A 49 3.830 18.285 -1.559 1.00 0.00 N ATOM 678 CA ASN A 49 4.211 18.665 -2.915 1.00 0.00 C ATOM 679 C ASN A 49 4.516 17.431 -3.760 1.00 0.00 C ATOM 680 O ASN A 49 5.179 17.522 -4.794 1.00 0.00 O ATOM 681 CB ASN A 49 5.428 19.590 -2.885 1.00 0.00 C ATOM 682 CG ASN A 49 6.358 19.285 -1.727 1.00 0.00 C ATOM 683 OD1 ASN A 49 6.613 20.140 -0.879 1.00 0.00 O ATOM 684 ND2 ASN A 49 6.870 18.060 -1.686 1.00 0.00 N ATOM 0 H ASN A 49 4.580 17.861 -1.013 1.00 0.00 H new ATOM 0 HA ASN A 49 3.372 19.195 -3.367 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.976 19.495 -3.822 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.093 20.625 -2.815 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.502 17.796 -0.930 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.631 17.383 -2.410 1.00 0.00 H new ATOM 691 N LEU A 50 4.028 16.280 -3.313 1.00 0.00 N ATOM 692 CA LEU A 50 4.247 15.027 -4.028 1.00 0.00 C ATOM 693 C LEU A 50 3.044 14.101 -3.885 1.00 0.00 C ATOM 694 O LEU A 50 2.516 13.914 -2.788 1.00 0.00 O ATOM 695 CB LEU A 50 5.505 14.332 -3.504 1.00 0.00 C ATOM 696 CG LEU A 50 5.786 14.489 -2.009 1.00 0.00 C ATOM 697 CD1 LEU A 50 5.023 13.445 -1.210 1.00 0.00 C ATOM 698 CD2 LEU A 50 7.279 14.388 -1.734 1.00 0.00 C ATOM 0 H LEU A 50 3.478 16.188 -2.459 1.00 0.00 H new ATOM 0 HA LEU A 50 4.380 15.258 -5.085 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.428 13.268 -3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.364 14.714 -4.057 1.00 0.00 H new ATOM 0 HG LEU A 50 5.445 15.476 -1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.235 13.572 -0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.953 13.565 -1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.332 12.448 -1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.461 14.502 -0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.644 13.415 -2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.803 15.175 -2.277 1.00 0.00 H new ATOM 710 N THR A 51 2.614 13.521 -5.001 1.00 0.00 N ATOM 711 CA THR A 51 1.474 12.613 -5.001 1.00 0.00 C ATOM 712 C THR A 51 1.874 11.227 -4.507 1.00 0.00 C ATOM 713 O THR A 51 3.052 10.961 -4.264 1.00 0.00 O ATOM 714 CB THR A 51 0.857 12.485 -6.407 1.00 0.00 C ATOM 715 OG1 THR A 51 1.012 13.715 -7.123 1.00 0.00 O ATOM 716 CG2 THR A 51 -0.618 12.126 -6.320 1.00 0.00 C ATOM 0 H THR A 51 3.039 13.664 -5.917 1.00 0.00 H new ATOM 0 HA THR A 51 0.733 13.038 -4.324 1.00 0.00 H new ATOM 0 HB THR A 51 1.378 11.688 -6.937 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.619 13.625 -8.016 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.032 12.041 -7.325 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.731 11.175 -5.800 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.150 12.904 -5.773 1.00 0.00 H new ATOM 724 N TYR A 52 0.889 10.349 -4.361 1.00 0.00 N ATOM 725 CA TYR A 52 1.138 8.991 -3.893 1.00 0.00 C ATOM 726 C TYR A 52 0.458 7.969 -4.799 1.00 0.00 C ATOM 727 O TYR A 52 -0.744 8.051 -5.052 1.00 0.00 O ATOM 728 CB TYR A 52 0.643 8.824 -2.456 1.00 0.00 C ATOM 729 CG TYR A 52 1.398 9.669 -1.454 1.00 0.00 C ATOM 730 CD1 TYR A 52 2.692 9.337 -1.071 1.00 0.00 C ATOM 731 CD2 TYR A 52 0.816 10.797 -0.889 1.00 0.00 C ATOM 732 CE1 TYR A 52 3.385 10.105 -0.156 1.00 0.00 C ATOM 733 CE2 TYR A 52 1.503 11.572 0.026 1.00 0.00 C ATOM 734 CZ TYR A 52 2.786 11.222 0.390 1.00 0.00 C ATOM 735 OH TYR A 52 3.472 11.990 1.302 1.00 0.00 O ATOM 0 H TYR A 52 -0.090 10.553 -4.560 1.00 0.00 H new ATOM 0 HA TYR A 52 2.214 8.817 -3.922 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.415 9.082 -2.413 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.727 7.775 -2.171 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.164 8.463 -1.496 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.190 11.073 -1.169 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.390 9.833 0.131 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.037 12.447 0.454 1.00 0.00 H new ATOM 0 HH TYR A 52 4.430 11.966 1.096 1.00 0.00 H new ATOM 745 N SER A 53 1.236 7.006 -5.283 1.00 0.00 N ATOM 746 CA SER A 53 0.710 5.969 -6.164 1.00 0.00 C ATOM 747 C SER A 53 0.578 4.643 -5.422 1.00 0.00 C ATOM 748 O SER A 53 1.485 4.228 -4.700 1.00 0.00 O ATOM 749 CB SER A 53 1.619 5.797 -7.382 1.00 0.00 C ATOM 750 OG SER A 53 1.222 6.653 -8.440 1.00 0.00 O ATOM 0 H SER A 53 2.232 6.922 -5.080 1.00 0.00 H new ATOM 0 HA SER A 53 -0.280 6.278 -6.499 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.650 6.013 -7.103 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.590 4.761 -7.718 1.00 0.00 H new ATOM 0 HG SER A 53 0.410 7.137 -8.182 1.00 0.00 H new ATOM 756 N VAL A 54 -0.560 3.981 -5.605 1.00 0.00 N ATOM 757 CA VAL A 54 -0.813 2.700 -4.955 1.00 0.00 C ATOM 758 C VAL A 54 -0.935 1.578 -5.980 1.00 0.00 C ATOM 759 O VAL A 54 -1.879 1.545 -6.770 1.00 0.00 O ATOM 760 CB VAL A 54 -2.096 2.746 -4.104 1.00 0.00 C ATOM 761 CG1 VAL A 54 -2.395 1.376 -3.514 1.00 0.00 C ATOM 762 CG2 VAL A 54 -1.971 3.793 -3.007 1.00 0.00 C ATOM 0 H VAL A 54 -1.322 4.310 -6.198 1.00 0.00 H new ATOM 0 HA VAL A 54 0.038 2.502 -4.304 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.929 3.027 -4.749 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.305 1.428 -2.916 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.531 0.655 -4.320 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.564 1.062 -2.883 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.887 3.812 -2.416 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.128 3.546 -2.362 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.809 4.773 -3.456 1.00 0.00 H new ATOM 772 N PHE A 55 0.025 0.660 -5.961 1.00 0.00 N ATOM 773 CA PHE A 55 0.026 -0.465 -6.889 1.00 0.00 C ATOM 774 C PHE A 55 -0.518 -1.723 -6.219 1.00 0.00 C ATOM 775 O PHE A 55 0.036 -2.201 -5.228 1.00 0.00 O ATOM 776 CB PHE A 55 1.441 -0.722 -7.411 1.00 0.00 C ATOM 777 CG PHE A 55 2.060 0.473 -8.078 1.00 0.00 C ATOM 778 CD1 PHE A 55 2.613 1.495 -7.323 1.00 0.00 C ATOM 779 CD2 PHE A 55 2.090 0.575 -9.459 1.00 0.00 C ATOM 780 CE1 PHE A 55 3.184 2.596 -7.932 1.00 0.00 C ATOM 781 CE2 PHE A 55 2.660 1.673 -10.075 1.00 0.00 C ATOM 782 CZ PHE A 55 3.206 2.686 -9.310 1.00 0.00 C ATOM 0 H PHE A 55 0.813 0.673 -5.313 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.622 -0.212 -7.728 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.075 -1.034 -6.581 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.414 -1.550 -8.119 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.597 1.430 -6.245 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.663 -0.213 -10.062 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.612 3.385 -7.331 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.679 1.739 -11.153 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.649 3.547 -9.789 1.00 0.00 H new ATOM 792 N TYR A 56 -1.605 -2.255 -6.767 1.00 0.00 N ATOM 793 CA TYR A 56 -2.225 -3.456 -6.221 1.00 0.00 C ATOM 794 C TYR A 56 -2.211 -4.589 -7.243 1.00 0.00 C ATOM 795 O TYR A 56 -2.335 -4.359 -8.446 1.00 0.00 O ATOM 796 CB TYR A 56 -3.663 -3.162 -5.790 1.00 0.00 C ATOM 797 CG TYR A 56 -4.486 -2.474 -6.856 1.00 0.00 C ATOM 798 CD1 TYR A 56 -5.102 -3.205 -7.865 1.00 0.00 C ATOM 799 CD2 TYR A 56 -4.649 -1.094 -6.853 1.00 0.00 C ATOM 800 CE1 TYR A 56 -5.854 -2.580 -8.841 1.00 0.00 C ATOM 801 CE2 TYR A 56 -5.401 -0.462 -7.824 1.00 0.00 C ATOM 802 CZ TYR A 56 -6.001 -1.209 -8.816 1.00 0.00 C ATOM 803 OH TYR A 56 -6.750 -0.584 -9.786 1.00 0.00 O ATOM 0 H TYR A 56 -2.075 -1.874 -7.588 1.00 0.00 H new ATOM 0 HA TYR A 56 -1.648 -3.768 -5.351 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.149 -4.098 -5.515 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.645 -2.537 -4.897 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -4.991 -4.279 -7.886 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -4.180 -0.506 -6.078 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.324 -3.162 -9.620 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -5.519 0.611 -7.807 1.00 0.00 H new ATOM 0 HH TYR A 56 -6.728 0.385 -9.642 1.00 0.00 H new ATOM 813 N THR A 57 -2.060 -5.816 -6.754 1.00 0.00 N ATOM 814 CA THR A 57 -2.029 -6.986 -7.623 1.00 0.00 C ATOM 815 C THR A 57 -2.272 -8.266 -6.830 1.00 0.00 C ATOM 816 O THR A 57 -1.823 -8.398 -5.691 1.00 0.00 O ATOM 817 CB THR A 57 -0.682 -7.102 -8.362 1.00 0.00 C ATOM 818 OG1 THR A 57 -0.460 -8.457 -8.766 1.00 0.00 O ATOM 819 CG2 THR A 57 0.463 -6.637 -7.475 1.00 0.00 C ATOM 0 H THR A 57 -1.957 -6.025 -5.761 1.00 0.00 H new ATOM 0 HA THR A 57 -2.827 -6.857 -8.355 1.00 0.00 H new ATOM 0 HB THR A 57 -0.720 -6.463 -9.244 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.570 -8.531 -9.737 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.404 -6.728 -8.018 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.306 -5.596 -7.194 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.501 -7.254 -6.577 1.00 0.00 H new ATOM 827 N LYS A 58 -2.984 -9.207 -7.440 1.00 0.00 N ATOM 828 CA LYS A 58 -3.286 -10.479 -6.792 1.00 0.00 C ATOM 829 C LYS A 58 -2.022 -11.316 -6.624 1.00 0.00 C ATOM 830 O LYS A 58 -1.183 -11.378 -7.522 1.00 0.00 O ATOM 831 CB LYS A 58 -4.321 -11.257 -7.607 1.00 0.00 C ATOM 832 CG LYS A 58 -5.163 -12.206 -6.773 1.00 0.00 C ATOM 833 CD LYS A 58 -5.942 -13.175 -7.647 1.00 0.00 C ATOM 834 CE LYS A 58 -5.076 -14.343 -8.092 1.00 0.00 C ATOM 835 NZ LYS A 58 -5.865 -15.371 -8.827 1.00 0.00 N ATOM 0 H LYS A 58 -3.363 -9.113 -8.382 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.695 -10.268 -5.804 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.979 -10.550 -8.113 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.808 -11.826 -8.382 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.519 -12.764 -6.094 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.856 -11.633 -6.156 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.805 -13.550 -7.097 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.325 -12.650 -8.522 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.273 -13.977 -8.731 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.607 -14.800 -7.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.239 -16.150 -9.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.616 -15.739 -8.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.292 -14.942 -9.673 1.00 0.00 H new ATOM 849 N GLU A 59 -1.894 -11.961 -5.468 1.00 0.00 N ATOM 850 CA GLU A 59 -0.733 -12.795 -5.183 1.00 0.00 C ATOM 851 C GLU A 59 -0.401 -13.689 -6.374 1.00 0.00 C ATOM 852 O GLU A 59 0.767 -13.913 -6.690 1.00 0.00 O ATOM 853 CB GLU A 59 -0.985 -13.653 -3.942 1.00 0.00 C ATOM 854 CG GLU A 59 0.282 -14.022 -3.189 1.00 0.00 C ATOM 855 CD GLU A 59 1.150 -15.002 -3.954 1.00 0.00 C ATOM 856 OE1 GLU A 59 0.605 -15.998 -4.475 1.00 0.00 O ATOM 857 OE2 GLU A 59 2.376 -14.773 -4.031 1.00 0.00 O ATOM 0 H GLU A 59 -2.580 -11.922 -4.714 1.00 0.00 H new ATOM 0 HA GLU A 59 0.117 -12.138 -4.995 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.654 -13.116 -3.269 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.499 -14.567 -4.241 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.855 -13.118 -2.984 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.014 -14.455 -2.225 1.00 0.00 H new ATOM 864 N GLY A 60 -1.438 -14.199 -7.032 1.00 0.00 N ATOM 865 CA GLY A 60 -1.236 -15.064 -8.180 1.00 0.00 C ATOM 866 C GLY A 60 -0.988 -14.284 -9.456 1.00 0.00 C ATOM 867 O GLY A 60 -0.315 -14.769 -10.366 1.00 0.00 O ATOM 0 H GLY A 60 -2.414 -14.029 -6.791 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.389 -15.723 -7.990 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.112 -15.700 -8.311 1.00 0.00 H new ATOM 871 N ILE A 61 -1.534 -13.075 -9.524 1.00 0.00 N ATOM 872 CA ILE A 61 -1.369 -12.227 -10.699 1.00 0.00 C ATOM 873 C ILE A 61 -0.064 -11.442 -10.631 1.00 0.00 C ATOM 874 O ILE A 61 0.233 -10.798 -9.625 1.00 0.00 O ATOM 875 CB ILE A 61 -2.542 -11.241 -10.851 1.00 0.00 C ATOM 876 CG1 ILE A 61 -3.858 -12.002 -11.020 1.00 0.00 C ATOM 877 CG2 ILE A 61 -2.304 -10.314 -12.034 1.00 0.00 C ATOM 878 CD1 ILE A 61 -4.060 -12.559 -12.412 1.00 0.00 C ATOM 0 H ILE A 61 -2.095 -12.660 -8.780 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.347 -12.888 -11.565 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.608 -10.636 -9.947 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.889 -12.821 -10.302 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.687 -11.336 -10.780 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.141 -9.623 -12.129 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.385 -9.750 -11.875 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.215 -10.904 -12.946 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.013 -13.086 -12.458 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.061 -11.742 -13.134 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.251 -13.251 -12.648 1.00 0.00 H new ATOM 890 N ALA A 62 0.711 -11.498 -11.709 1.00 0.00 N ATOM 891 CA ALA A 62 1.983 -10.788 -11.773 1.00 0.00 C ATOM 892 C ALA A 62 1.778 -9.328 -12.164 1.00 0.00 C ATOM 893 O ALA A 62 2.626 -8.478 -11.893 1.00 0.00 O ATOM 894 CB ALA A 62 2.920 -11.473 -12.757 1.00 0.00 C ATOM 0 H ALA A 62 0.481 -12.027 -12.550 1.00 0.00 H new ATOM 0 HA ALA A 62 2.434 -10.811 -10.781 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.866 -10.933 -12.795 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.100 -12.498 -12.434 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.466 -11.479 -13.748 1.00 0.00 H new ATOM 900 N ARG A 63 0.647 -9.045 -12.802 1.00 0.00 N ATOM 901 CA ARG A 63 0.332 -7.687 -13.231 1.00 0.00 C ATOM 902 C ARG A 63 -0.291 -6.887 -12.091 1.00 0.00 C ATOM 903 O ARG A 63 -0.925 -7.450 -11.200 1.00 0.00 O ATOM 904 CB ARG A 63 -0.621 -7.716 -14.428 1.00 0.00 C ATOM 905 CG ARG A 63 -0.177 -8.656 -15.537 1.00 0.00 C ATOM 906 CD ARG A 63 1.137 -8.206 -16.156 1.00 0.00 C ATOM 907 NE ARG A 63 0.931 -7.245 -17.237 1.00 0.00 N ATOM 908 CZ ARG A 63 0.834 -5.934 -17.046 1.00 0.00 C ATOM 909 NH1 ARG A 63 0.923 -5.431 -15.823 1.00 0.00 N ATOM 910 NH2 ARG A 63 0.647 -5.124 -18.080 1.00 0.00 N ATOM 0 H ARG A 63 -0.066 -9.737 -13.033 1.00 0.00 H new ATOM 0 HA ARG A 63 1.262 -7.201 -13.527 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.612 -8.014 -14.086 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.713 -6.708 -14.833 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.066 -9.664 -15.138 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.947 -8.701 -16.307 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.765 -7.757 -15.387 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.673 -9.074 -16.540 1.00 0.00 H new ATOM 0 HE ARG A 63 0.858 -7.600 -18.190 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.066 -6.051 -15.026 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.848 -4.424 -15.679 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.578 -5.508 -19.022 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.573 -4.117 -17.932 1.00 0.00 H new ATOM 924 N GLU A 64 -0.103 -5.571 -12.127 1.00 0.00 N ATOM 925 CA GLU A 64 -0.646 -4.695 -11.096 1.00 0.00 C ATOM 926 C GLU A 64 -1.124 -3.377 -11.698 1.00 0.00 C ATOM 927 O GLU A 64 -0.734 -3.011 -12.807 1.00 0.00 O ATOM 928 CB GLU A 64 0.407 -4.424 -10.019 1.00 0.00 C ATOM 929 CG GLU A 64 1.496 -3.461 -10.462 1.00 0.00 C ATOM 930 CD GLU A 64 2.519 -3.197 -9.374 1.00 0.00 C ATOM 931 OE1 GLU A 64 2.709 -4.079 -8.511 1.00 0.00 O ATOM 932 OE2 GLU A 64 3.129 -2.107 -9.386 1.00 0.00 O ATOM 0 H GLU A 64 0.420 -5.089 -12.858 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.500 -5.198 -10.641 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.086 -4.020 -9.134 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.866 -5.368 -9.725 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.000 -3.867 -11.339 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.041 -2.518 -10.764 1.00 0.00 H new ATOM 939 N ARG A 65 -1.971 -2.668 -10.959 1.00 0.00 N ATOM 940 CA ARG A 65 -2.504 -1.392 -11.420 1.00 0.00 C ATOM 941 C ARG A 65 -2.246 -0.292 -10.394 1.00 0.00 C ATOM 942 O ARG A 65 -2.402 -0.503 -9.191 1.00 0.00 O ATOM 943 CB ARG A 65 -4.005 -1.510 -11.691 1.00 0.00 C ATOM 944 CG ARG A 65 -4.358 -2.584 -12.706 1.00 0.00 C ATOM 945 CD ARG A 65 -4.353 -2.034 -14.124 1.00 0.00 C ATOM 946 NE ARG A 65 -4.207 -3.091 -15.121 1.00 0.00 N ATOM 947 CZ ARG A 65 -4.255 -2.878 -16.431 1.00 0.00 C ATOM 948 NH1 ARG A 65 -4.443 -1.652 -16.900 1.00 0.00 N ATOM 949 NH2 ARG A 65 -4.114 -3.892 -17.275 1.00 0.00 N ATOM 0 H ARG A 65 -2.303 -2.956 -10.038 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.994 -1.127 -12.346 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.519 -1.725 -10.754 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.378 -0.549 -12.046 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.646 -3.405 -12.631 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.342 -2.993 -12.477 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.280 -1.491 -14.305 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.538 -1.319 -14.232 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.060 -4.046 -14.793 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.551 -0.870 -16.254 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.479 -1.491 -17.907 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -3.969 -4.836 -16.918 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.151 -3.727 -18.281 1.00 0.00 H new ATOM 963 N VAL A 66 -1.851 0.881 -10.878 1.00 0.00 N ATOM 964 CA VAL A 66 -1.572 2.014 -10.003 1.00 0.00 C ATOM 965 C VAL A 66 -2.786 2.929 -9.885 1.00 0.00 C ATOM 966 O VAL A 66 -3.493 3.167 -10.864 1.00 0.00 O ATOM 967 CB VAL A 66 -0.372 2.834 -10.513 1.00 0.00 C ATOM 968 CG1 VAL A 66 -0.793 3.741 -11.659 1.00 0.00 C ATOM 969 CG2 VAL A 66 0.240 3.642 -9.379 1.00 0.00 C ATOM 0 H VAL A 66 -1.717 1.072 -11.871 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.332 1.605 -9.021 1.00 0.00 H new ATOM 0 HB VAL A 66 0.385 2.145 -10.887 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.068 4.312 -12.006 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.181 3.136 -12.478 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.568 4.426 -11.315 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.087 4.216 -9.757 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.508 4.323 -8.973 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.580 2.967 -8.594 1.00 0.00 H new ATOM 979 N GLU A 67 -3.020 3.439 -8.680 1.00 0.00 N ATOM 980 CA GLU A 67 -4.149 4.329 -8.435 1.00 0.00 C ATOM 981 C GLU A 67 -3.686 5.631 -7.788 1.00 0.00 C ATOM 982 O GLU A 67 -3.371 5.668 -6.600 1.00 0.00 O ATOM 983 CB GLU A 67 -5.183 3.642 -7.540 1.00 0.00 C ATOM 984 CG GLU A 67 -6.606 4.117 -7.778 1.00 0.00 C ATOM 985 CD GLU A 67 -7.118 3.758 -9.160 1.00 0.00 C ATOM 986 OE1 GLU A 67 -6.866 2.620 -9.609 1.00 0.00 O ATOM 987 OE2 GLU A 67 -7.770 4.615 -9.792 1.00 0.00 O ATOM 0 H GLU A 67 -2.444 3.252 -7.859 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.608 4.564 -9.395 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.136 2.566 -7.705 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.921 3.816 -6.496 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.262 3.678 -7.026 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.651 5.198 -7.648 1.00 0.00 H new ATOM 994 N ASN A 68 -3.646 6.697 -8.581 1.00 0.00 N ATOM 995 CA ASN A 68 -3.220 8.001 -8.087 1.00 0.00 C ATOM 996 C ASN A 68 -4.272 8.602 -7.160 1.00 0.00 C ATOM 997 O ASN A 68 -5.442 8.723 -7.526 1.00 0.00 O ATOM 998 CB ASN A 68 -2.952 8.950 -9.257 1.00 0.00 C ATOM 999 CG ASN A 68 -1.763 8.517 -10.092 1.00 0.00 C ATOM 1000 OD1 ASN A 68 -0.631 8.484 -9.610 1.00 0.00 O ATOM 1001 ND2 ASN A 68 -2.016 8.183 -11.352 1.00 0.00 N ATOM 0 H ASN A 68 -3.903 6.683 -9.568 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.299 7.864 -7.521 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.838 9.001 -9.890 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.776 9.955 -8.873 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -1.256 7.884 -11.963 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -2.971 8.225 -11.709 1.00 0.00 H new ATOM 1008 N THR A 69 -3.848 8.978 -5.958 1.00 0.00 N ATOM 1009 CA THR A 69 -4.753 9.566 -4.978 1.00 0.00 C ATOM 1010 C THR A 69 -5.532 10.731 -5.578 1.00 0.00 C ATOM 1011 O THR A 69 -4.956 11.614 -6.214 1.00 0.00 O ATOM 1012 CB THR A 69 -3.990 10.061 -3.734 1.00 0.00 C ATOM 1013 OG1 THR A 69 -3.096 11.119 -4.097 1.00 0.00 O ATOM 1014 CG2 THR A 69 -3.207 8.925 -3.093 1.00 0.00 C ATOM 0 H THR A 69 -2.883 8.886 -5.639 1.00 0.00 H new ATOM 0 HA THR A 69 -5.449 8.781 -4.681 1.00 0.00 H new ATOM 0 HB THR A 69 -4.717 10.433 -3.012 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.167 11.846 -3.443 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.676 9.298 -2.217 1.00 0.00 H new ATOM 0 HG22 THR A 69 -3.894 8.134 -2.792 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.489 8.528 -3.810 1.00 0.00 H new ATOM 1022 N SER A 70 -6.845 10.727 -5.373 1.00 0.00 N ATOM 1023 CA SER A 70 -7.704 11.782 -5.897 1.00 0.00 C ATOM 1024 C SER A 70 -7.051 13.150 -5.724 1.00 0.00 C ATOM 1025 O SER A 70 -7.266 14.060 -6.526 1.00 0.00 O ATOM 1026 CB SER A 70 -9.063 11.760 -5.193 1.00 0.00 C ATOM 1027 OG SER A 70 -8.907 11.775 -3.785 1.00 0.00 O ATOM 0 H SER A 70 -7.337 10.005 -4.848 1.00 0.00 H new ATOM 0 HA SER A 70 -7.852 11.601 -6.962 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.652 12.622 -5.506 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.617 10.870 -5.491 1.00 0.00 H new ATOM 0 HG SER A 70 -8.865 12.702 -3.470 1.00 0.00 H new ATOM 1033 N HIS A 71 -6.253 13.289 -4.670 1.00 0.00 N ATOM 1034 CA HIS A 71 -5.567 14.546 -4.391 1.00 0.00 C ATOM 1035 C HIS A 71 -4.154 14.290 -3.875 1.00 0.00 C ATOM 1036 O HIS A 71 -3.893 13.321 -3.161 1.00 0.00 O ATOM 1037 CB HIS A 71 -6.356 15.365 -3.369 1.00 0.00 C ATOM 1038 CG HIS A 71 -7.797 15.547 -3.732 1.00 0.00 C ATOM 1039 ND1 HIS A 71 -8.897 14.845 -3.371 1.00 0.00 N flip ATOM 1040 CD2 HIS A 71 -8.242 16.553 -4.564 1.00 0.00 C flip ATOM 1041 CE1 HIS A 71 -9.975 15.433 -3.985 1.00 0.00 C flip ATOM 1042 NE2 HIS A 71 -9.553 16.461 -4.698 1.00 0.00 N flip ATOM 0 H HIS A 71 -6.065 12.547 -3.995 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.498 15.109 -5.322 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.294 14.875 -2.397 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.890 16.345 -3.263 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -7.617 17.299 -5.032 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -11.001 15.108 -3.899 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -10.140 17.080 -5.258 1.00 0.00 H new ATOM 1051 N PRO A 72 -3.219 15.179 -4.243 1.00 0.00 N ATOM 1052 CA PRO A 72 -1.817 15.071 -3.828 1.00 0.00 C ATOM 1053 C PRO A 72 -1.630 15.343 -2.340 1.00 0.00 C ATOM 1054 O PRO A 72 -2.187 16.298 -1.799 1.00 0.00 O ATOM 1055 CB PRO A 72 -1.117 16.148 -4.661 1.00 0.00 C ATOM 1056 CG PRO A 72 -2.183 17.143 -4.966 1.00 0.00 C ATOM 1057 CD PRO A 72 -3.459 16.358 -5.091 1.00 0.00 C ATOM 0 HA PRO A 72 -1.422 14.067 -3.985 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.296 16.604 -4.108 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.693 15.729 -5.574 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -2.259 17.888 -4.174 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.963 17.680 -5.889 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.319 16.932 -4.747 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.657 16.076 -6.125 1.00 0.00 H new ATOM 1065 N GLY A 73 -0.842 14.498 -1.682 1.00 0.00 N ATOM 1066 CA GLY A 73 -0.596 14.666 -0.262 1.00 0.00 C ATOM 1067 C GLY A 73 -1.461 13.757 0.588 1.00 0.00 C ATOM 1068 O GLY A 73 -1.056 13.340 1.672 1.00 0.00 O ATOM 0 H GLY A 73 -0.370 13.700 -2.107 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.454 14.464 -0.052 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.782 15.703 0.016 1.00 0.00 H new ATOM 1072 N GLU A 74 -2.657 13.451 0.095 1.00 0.00 N ATOM 1073 CA GLU A 74 -3.583 12.588 0.819 1.00 0.00 C ATOM 1074 C GLU A 74 -2.849 11.403 1.442 1.00 0.00 C ATOM 1075 O GLU A 74 -2.204 10.623 0.743 1.00 0.00 O ATOM 1076 CB GLU A 74 -4.684 12.084 -0.117 1.00 0.00 C ATOM 1077 CG GLU A 74 -6.001 11.806 0.588 1.00 0.00 C ATOM 1078 CD GLU A 74 -6.560 13.030 1.286 1.00 0.00 C ATOM 1079 OE1 GLU A 74 -6.654 14.092 0.635 1.00 0.00 O ATOM 1080 OE2 GLU A 74 -6.903 12.927 2.482 1.00 0.00 O ATOM 0 H GLU A 74 -3.007 13.788 -0.802 1.00 0.00 H new ATOM 0 HA GLU A 74 -4.036 13.175 1.618 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.850 12.823 -0.901 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -4.344 11.171 -0.607 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.728 11.443 -0.139 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.856 11.010 1.319 1.00 0.00 H new ATOM 1087 N MET A 75 -2.952 11.278 2.761 1.00 0.00 N ATOM 1088 CA MET A 75 -2.299 10.189 3.478 1.00 0.00 C ATOM 1089 C MET A 75 -3.192 8.954 3.522 1.00 0.00 C ATOM 1090 O MET A 75 -3.067 8.119 4.418 1.00 0.00 O ATOM 1091 CB MET A 75 -1.944 10.627 4.900 1.00 0.00 C ATOM 1092 CG MET A 75 -0.862 11.694 4.955 1.00 0.00 C ATOM 1093 SD MET A 75 0.797 10.996 5.064 1.00 0.00 S ATOM 1094 CE MET A 75 1.243 10.912 3.331 1.00 0.00 C ATOM 0 H MET A 75 -3.481 11.917 3.355 1.00 0.00 H new ATOM 0 HA MET A 75 -1.383 9.934 2.945 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.841 11.006 5.390 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.614 9.757 5.468 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.930 12.321 4.066 1.00 0.00 H new ATOM 0 HG3 MET A 75 -1.037 12.340 5.815 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.306 10.687 3.239 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.663 10.128 2.844 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.032 11.869 2.854 1.00 0.00 H new ATOM 1104 N GLN A 76 -4.093 8.845 2.550 1.00 0.00 N ATOM 1105 CA GLN A 76 -5.007 7.712 2.480 1.00 0.00 C ATOM 1106 C GLN A 76 -5.766 7.705 1.157 1.00 0.00 C ATOM 1107 O GLN A 76 -6.059 8.759 0.593 1.00 0.00 O ATOM 1108 CB GLN A 76 -5.995 7.753 3.648 1.00 0.00 C ATOM 1109 CG GLN A 76 -7.095 8.788 3.478 1.00 0.00 C ATOM 1110 CD GLN A 76 -8.057 8.815 4.649 1.00 0.00 C ATOM 1111 OE1 GLN A 76 -9.154 8.261 4.580 1.00 0.00 O ATOM 1112 NE2 GLN A 76 -7.650 9.463 5.735 1.00 0.00 N ATOM 0 H GLN A 76 -4.209 9.528 1.801 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.417 6.798 2.544 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.449 6.769 3.764 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.449 7.963 4.568 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.646 9.774 3.359 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.648 8.577 2.563 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.732 9.908 5.749 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.255 9.515 6.554 1.00 0.00 H new ATOM 1121 N VAL A 77 -6.082 6.510 0.668 1.00 0.00 N ATOM 1122 CA VAL A 77 -6.807 6.367 -0.589 1.00 0.00 C ATOM 1123 C VAL A 77 -7.623 5.079 -0.608 1.00 0.00 C ATOM 1124 O VAL A 77 -7.291 4.109 0.074 1.00 0.00 O ATOM 1125 CB VAL A 77 -5.848 6.371 -1.794 1.00 0.00 C ATOM 1126 CG1 VAL A 77 -5.069 5.066 -1.863 1.00 0.00 C ATOM 1127 CG2 VAL A 77 -6.617 6.611 -3.085 1.00 0.00 C ATOM 0 H VAL A 77 -5.848 5.628 1.123 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.479 7.222 -0.666 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.134 7.185 -1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.397 5.088 -2.721 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.487 4.941 -0.950 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.764 4.233 -1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.924 6.611 -3.927 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.354 5.820 -3.222 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.124 7.574 -3.033 1.00 0.00 H new ATOM 1137 N THR A 78 -8.695 5.076 -1.394 1.00 0.00 N ATOM 1138 CA THR A 78 -9.561 3.909 -1.502 1.00 0.00 C ATOM 1139 C THR A 78 -9.336 3.178 -2.821 1.00 0.00 C ATOM 1140 O THR A 78 -9.347 3.789 -3.890 1.00 0.00 O ATOM 1141 CB THR A 78 -11.047 4.298 -1.392 1.00 0.00 C ATOM 1142 OG1 THR A 78 -11.268 5.050 -0.193 1.00 0.00 O ATOM 1143 CG2 THR A 78 -11.932 3.061 -1.391 1.00 0.00 C ATOM 0 H THR A 78 -8.984 5.870 -1.966 1.00 0.00 H new ATOM 0 HA THR A 78 -9.304 3.248 -0.674 1.00 0.00 H new ATOM 0 HB THR A 78 -11.305 4.909 -2.257 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.215 5.295 -0.131 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.977 3.361 -1.312 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.783 2.506 -2.317 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.672 2.428 -0.543 1.00 0.00 H new ATOM 1151 N ILE A 79 -9.132 1.867 -2.739 1.00 0.00 N ATOM 1152 CA ILE A 79 -8.907 1.054 -3.927 1.00 0.00 C ATOM 1153 C ILE A 79 -10.141 0.225 -4.268 1.00 0.00 C ATOM 1154 O ILE A 79 -10.323 -0.876 -3.751 1.00 0.00 O ATOM 1155 CB ILE A 79 -7.704 0.110 -3.742 1.00 0.00 C ATOM 1156 CG1 ILE A 79 -6.490 0.888 -3.231 1.00 0.00 C ATOM 1157 CG2 ILE A 79 -7.376 -0.592 -5.052 1.00 0.00 C ATOM 1158 CD1 ILE A 79 -5.982 1.925 -4.208 1.00 0.00 C ATOM 0 H ILE A 79 -9.118 1.346 -1.862 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.697 1.742 -4.746 1.00 0.00 H new ATOM 0 HB ILE A 79 -7.965 -0.646 -3.001 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.752 1.380 -2.295 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.686 0.186 -3.008 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.524 -1.256 -4.906 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.238 -1.174 -5.378 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.131 0.151 -5.811 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.121 2.438 -3.779 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.688 1.436 -5.137 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.770 2.649 -4.412 1.00 0.00 H new ATOM 1170 N GLN A 80 -10.984 0.763 -5.143 1.00 0.00 N ATOM 1171 CA GLN A 80 -12.201 0.073 -5.555 1.00 0.00 C ATOM 1172 C GLN A 80 -11.918 -0.890 -6.704 1.00 0.00 C ATOM 1173 O GLN A 80 -10.772 -1.059 -7.117 1.00 0.00 O ATOM 1174 CB GLN A 80 -13.270 1.084 -5.973 1.00 0.00 C ATOM 1175 CG GLN A 80 -13.649 2.059 -4.870 1.00 0.00 C ATOM 1176 CD GLN A 80 -14.660 3.092 -5.327 1.00 0.00 C ATOM 1177 OE1 GLN A 80 -15.220 2.989 -6.419 1.00 0.00 O ATOM 1178 NE2 GLN A 80 -14.900 4.096 -4.491 1.00 0.00 N ATOM 0 H GLN A 80 -10.847 1.674 -5.580 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.568 -0.502 -4.705 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -12.910 1.646 -6.835 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -14.162 0.546 -6.293 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -14.058 1.505 -4.025 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -12.752 2.566 -4.515 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -14.413 4.142 -3.596 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -15.571 4.821 -4.744 1.00 0.00 H new ATOM 1187 N ASN A 81 -12.971 -1.519 -7.214 1.00 0.00 N ATOM 1188 CA ASN A 81 -12.836 -2.467 -8.315 1.00 0.00 C ATOM 1189 C ASN A 81 -11.975 -3.658 -7.905 1.00 0.00 C ATOM 1190 O ASN A 81 -11.033 -4.027 -8.606 1.00 0.00 O ATOM 1191 CB ASN A 81 -12.224 -1.777 -9.536 1.00 0.00 C ATOM 1192 CG ASN A 81 -12.959 -0.504 -9.910 1.00 0.00 C ATOM 1193 OD1 ASN A 81 -13.929 -0.533 -10.667 1.00 0.00 O ATOM 1194 ND2 ASN A 81 -12.497 0.622 -9.379 1.00 0.00 N ATOM 0 H ASN A 81 -13.927 -1.390 -6.883 1.00 0.00 H new ATOM 0 HA ASN A 81 -13.830 -2.832 -8.572 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -11.179 -1.543 -9.332 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -12.238 -2.463 -10.383 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.950 1.510 -9.594 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.690 0.598 -8.756 1.00 0.00 H new ATOM 1201 N LEU A 82 -12.305 -4.255 -6.765 1.00 0.00 N ATOM 1202 CA LEU A 82 -11.563 -5.405 -6.261 1.00 0.00 C ATOM 1203 C LEU A 82 -12.493 -6.590 -6.022 1.00 0.00 C ATOM 1204 O LEU A 82 -13.713 -6.436 -5.979 1.00 0.00 O ATOM 1205 CB LEU A 82 -10.839 -5.041 -4.963 1.00 0.00 C ATOM 1206 CG LEU A 82 -9.873 -3.858 -5.043 1.00 0.00 C ATOM 1207 CD1 LEU A 82 -9.248 -3.587 -3.684 1.00 0.00 C ATOM 1208 CD2 LEU A 82 -8.796 -4.118 -6.086 1.00 0.00 C ATOM 0 H LEU A 82 -13.082 -3.962 -6.172 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.827 -5.689 -7.013 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.588 -4.822 -4.202 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.284 -5.915 -4.622 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.435 -2.974 -5.344 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.564 -2.742 -3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.032 -3.355 -2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.700 -4.469 -3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.118 -3.266 -6.129 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.237 -5.014 -5.816 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.261 -4.261 -7.061 1.00 0.00 H new ATOM 1220 N MET A 83 -11.907 -7.773 -5.865 1.00 0.00 N ATOM 1221 CA MET A 83 -12.683 -8.984 -5.626 1.00 0.00 C ATOM 1222 C MET A 83 -12.626 -9.386 -4.156 1.00 0.00 C ATOM 1223 O MET A 83 -11.577 -9.335 -3.513 1.00 0.00 O ATOM 1224 CB MET A 83 -12.163 -10.128 -6.499 1.00 0.00 C ATOM 1225 CG MET A 83 -12.640 -11.500 -6.050 1.00 0.00 C ATOM 1226 SD MET A 83 -11.783 -12.844 -6.894 1.00 0.00 S ATOM 1227 CE MET A 83 -12.444 -12.679 -8.551 1.00 0.00 C ATOM 0 H MET A 83 -10.898 -7.918 -5.899 1.00 0.00 H new ATOM 0 HA MET A 83 -13.721 -8.778 -5.888 1.00 0.00 H new ATOM 0 HB2 MET A 83 -12.480 -9.961 -7.529 1.00 0.00 H new ATOM 0 HB3 MET A 83 -11.073 -10.112 -6.494 1.00 0.00 H new ATOM 0 HG2 MET A 83 -12.491 -11.598 -4.975 1.00 0.00 H new ATOM 0 HG3 MET A 83 -13.711 -11.586 -6.233 1.00 0.00 H new ATOM 0 HE1 MET A 83 -12.106 -13.516 -9.163 1.00 0.00 H new ATOM 0 HE2 MET A 83 -13.533 -12.677 -8.510 1.00 0.00 H new ATOM 0 HE3 MET A 83 -12.096 -11.744 -8.990 1.00 0.00 H new ATOM 1237 N PRO A 84 -13.781 -9.794 -3.608 1.00 0.00 N ATOM 1238 CA PRO A 84 -13.888 -10.212 -2.207 1.00 0.00 C ATOM 1239 C PRO A 84 -13.180 -11.536 -1.941 1.00 0.00 C ATOM 1240 O PRO A 84 -12.960 -12.327 -2.858 1.00 0.00 O ATOM 1241 CB PRO A 84 -15.397 -10.360 -1.996 1.00 0.00 C ATOM 1242 CG PRO A 84 -15.944 -10.637 -3.354 1.00 0.00 C ATOM 1243 CD PRO A 84 -15.070 -9.879 -4.315 1.00 0.00 C ATOM 0 HA PRO A 84 -13.417 -9.498 -1.531 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -15.622 -11.172 -1.305 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -15.828 -9.453 -1.573 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.928 -11.705 -3.571 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.982 -10.312 -3.431 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.973 -10.401 -5.267 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.475 -8.891 -4.533 1.00 0.00 H new ATOM 1251 N ALA A 85 -12.828 -11.770 -0.682 1.00 0.00 N ATOM 1252 CA ALA A 85 -12.147 -13.000 -0.296 1.00 0.00 C ATOM 1253 C ALA A 85 -10.976 -13.295 -1.227 1.00 0.00 C ATOM 1254 O ALA A 85 -10.777 -14.435 -1.650 1.00 0.00 O ATOM 1255 CB ALA A 85 -13.125 -14.165 -0.289 1.00 0.00 C ATOM 0 H ALA A 85 -13.003 -11.125 0.088 1.00 0.00 H new ATOM 0 HA ALA A 85 -11.751 -12.866 0.711 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -12.603 -15.077 0.001 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -13.926 -13.964 0.423 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.548 -14.291 -1.286 1.00 0.00 H new ATOM 1261 N THR A 86 -10.202 -12.262 -1.543 1.00 0.00 N ATOM 1262 CA THR A 86 -9.052 -12.410 -2.426 1.00 0.00 C ATOM 1263 C THR A 86 -7.871 -11.581 -1.934 1.00 0.00 C ATOM 1264 O THR A 86 -7.983 -10.368 -1.755 1.00 0.00 O ATOM 1265 CB THR A 86 -9.393 -11.991 -3.868 1.00 0.00 C ATOM 1266 OG1 THR A 86 -10.450 -12.811 -4.379 1.00 0.00 O ATOM 1267 CG2 THR A 86 -8.173 -12.108 -4.769 1.00 0.00 C ATOM 0 H THR A 86 -10.351 -11.313 -1.200 1.00 0.00 H new ATOM 0 HA THR A 86 -8.781 -13.466 -2.417 1.00 0.00 H new ATOM 0 HB THR A 86 -9.715 -10.950 -3.854 1.00 0.00 H new ATOM 0 HG1 THR A 86 -10.461 -12.758 -5.358 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.439 -11.807 -5.782 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.380 -11.461 -4.394 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.824 -13.141 -4.777 1.00 0.00 H new ATOM 1275 N VAL A 87 -6.739 -12.242 -1.717 1.00 0.00 N ATOM 1276 CA VAL A 87 -5.536 -11.565 -1.248 1.00 0.00 C ATOM 1277 C VAL A 87 -4.977 -10.633 -2.317 1.00 0.00 C ATOM 1278 O VAL A 87 -4.955 -10.971 -3.500 1.00 0.00 O ATOM 1279 CB VAL A 87 -4.446 -12.575 -0.842 1.00 0.00 C ATOM 1280 CG1 VAL A 87 -3.180 -11.850 -0.409 1.00 0.00 C ATOM 1281 CG2 VAL A 87 -4.951 -13.489 0.264 1.00 0.00 C ATOM 0 H VAL A 87 -6.630 -13.246 -1.859 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.823 -10.980 -0.374 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.205 -13.190 -1.709 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.422 -12.580 -0.126 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.809 -11.242 -1.234 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.402 -11.208 0.444 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.168 -14.196 0.538 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.221 -12.892 1.135 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.826 -14.036 -0.087 1.00 0.00 H new ATOM 1291 N TYR A 88 -4.526 -9.458 -1.892 1.00 0.00 N ATOM 1292 CA TYR A 88 -3.968 -8.475 -2.813 1.00 0.00 C ATOM 1293 C TYR A 88 -2.735 -7.805 -2.214 1.00 0.00 C ATOM 1294 O TYR A 88 -2.681 -7.541 -1.013 1.00 0.00 O ATOM 1295 CB TYR A 88 -5.018 -7.418 -3.161 1.00 0.00 C ATOM 1296 CG TYR A 88 -6.062 -7.902 -4.142 1.00 0.00 C ATOM 1297 CD1 TYR A 88 -5.754 -8.076 -5.485 1.00 0.00 C ATOM 1298 CD2 TYR A 88 -7.357 -8.186 -3.724 1.00 0.00 C ATOM 1299 CE1 TYR A 88 -6.705 -8.517 -6.385 1.00 0.00 C ATOM 1300 CE2 TYR A 88 -8.314 -8.629 -4.617 1.00 0.00 C ATOM 1301 CZ TYR A 88 -7.983 -8.792 -5.946 1.00 0.00 C ATOM 1302 OH TYR A 88 -8.933 -9.233 -6.839 1.00 0.00 O ATOM 0 H TYR A 88 -4.536 -9.163 -0.916 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.670 -8.996 -3.723 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -5.514 -7.095 -2.246 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.517 -6.544 -3.578 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.754 -7.863 -5.832 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.619 -8.058 -2.684 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.449 -8.646 -7.426 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.316 -8.846 -4.276 1.00 0.00 H new ATOM 0 HH TYR A 88 -8.497 -9.737 -7.558 1.00 0.00 H new ATOM 1312 N ILE A 89 -1.748 -7.533 -3.061 1.00 0.00 N ATOM 1313 CA ILE A 89 -0.516 -6.892 -2.617 1.00 0.00 C ATOM 1314 C ILE A 89 -0.520 -5.404 -2.949 1.00 0.00 C ATOM 1315 O ILE A 89 -0.288 -5.012 -4.093 1.00 0.00 O ATOM 1316 CB ILE A 89 0.721 -7.547 -3.258 1.00 0.00 C ATOM 1317 CG1 ILE A 89 0.509 -9.055 -3.404 1.00 0.00 C ATOM 1318 CG2 ILE A 89 1.963 -7.260 -2.426 1.00 0.00 C ATOM 1319 CD1 ILE A 89 0.106 -9.737 -2.115 1.00 0.00 C ATOM 0 H ILE A 89 -1.777 -7.746 -4.058 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.465 -7.020 -1.536 1.00 0.00 H new ATOM 0 HB ILE A 89 0.865 -7.121 -4.251 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.259 -9.234 -4.156 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.429 -9.509 -3.773 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.829 -7.730 -2.892 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.121 -6.183 -2.368 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.829 -7.662 -1.422 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.027 -10.804 -2.294 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.884 -9.589 -1.366 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.830 -9.310 -1.755 1.00 0.00 H new ATOM 1331 N PHE A 90 -0.783 -4.579 -1.941 1.00 0.00 N ATOM 1332 CA PHE A 90 -0.816 -3.133 -2.126 1.00 0.00 C ATOM 1333 C PHE A 90 0.560 -2.521 -1.878 1.00 0.00 C ATOM 1334 O PHE A 90 1.281 -2.936 -0.970 1.00 0.00 O ATOM 1335 CB PHE A 90 -1.844 -2.500 -1.185 1.00 0.00 C ATOM 1336 CG PHE A 90 -3.261 -2.880 -1.504 1.00 0.00 C ATOM 1337 CD1 PHE A 90 -3.811 -4.047 -0.998 1.00 0.00 C ATOM 1338 CD2 PHE A 90 -4.044 -2.070 -2.311 1.00 0.00 C ATOM 1339 CE1 PHE A 90 -5.115 -4.399 -1.290 1.00 0.00 C ATOM 1340 CE2 PHE A 90 -5.350 -2.416 -2.605 1.00 0.00 C ATOM 1341 CZ PHE A 90 -5.885 -3.583 -2.095 1.00 0.00 C ATOM 0 H PHE A 90 -0.976 -4.887 -0.988 1.00 0.00 H new ATOM 0 HA PHE A 90 -1.104 -2.931 -3.158 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -1.618 -2.797 -0.161 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.748 -1.415 -1.231 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.213 -4.689 -0.368 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.629 -1.158 -2.715 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.531 -5.311 -0.889 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.951 -1.775 -3.233 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.904 -3.857 -2.326 1.00 0.00 H new ATOM 1351 N ARG A 91 0.918 -1.535 -2.693 1.00 0.00 N ATOM 1352 CA ARG A 91 2.208 -0.867 -2.565 1.00 0.00 C ATOM 1353 C ARG A 91 2.059 0.642 -2.735 1.00 0.00 C ATOM 1354 O ARG A 91 1.684 1.123 -3.804 1.00 0.00 O ATOM 1355 CB ARG A 91 3.194 -1.413 -3.600 1.00 0.00 C ATOM 1356 CG ARG A 91 3.338 -2.925 -3.565 1.00 0.00 C ATOM 1357 CD ARG A 91 4.071 -3.443 -4.793 1.00 0.00 C ATOM 1358 NE ARG A 91 4.439 -4.850 -4.658 1.00 0.00 N ATOM 1359 CZ ARG A 91 5.420 -5.422 -5.346 1.00 0.00 C ATOM 1360 NH1 ARG A 91 6.128 -4.712 -6.213 1.00 0.00 N ATOM 1361 NH2 ARG A 91 5.695 -6.708 -5.168 1.00 0.00 N ATOM 0 H ARG A 91 0.333 -1.180 -3.450 1.00 0.00 H new ATOM 0 HA ARG A 91 2.594 -1.066 -1.565 1.00 0.00 H new ATOM 0 HB2 ARG A 91 2.868 -1.110 -4.595 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.171 -0.959 -3.433 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.879 -3.219 -2.666 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.351 -3.384 -3.508 1.00 0.00 H new ATOM 0 HD2 ARG A 91 3.439 -3.316 -5.672 1.00 0.00 H new ATOM 0 HD3 ARG A 91 4.969 -2.848 -4.957 1.00 0.00 H new ATOM 0 HE ARG A 91 3.914 -5.425 -3.999 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.920 -3.723 -6.353 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.881 -5.154 -6.740 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.152 -7.258 -4.502 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.449 -7.146 -5.697 1.00 0.00 H new ATOM 1375 N VAL A 92 2.354 1.384 -1.672 1.00 0.00 N ATOM 1376 CA VAL A 92 2.253 2.838 -1.703 1.00 0.00 C ATOM 1377 C VAL A 92 3.600 3.476 -2.026 1.00 0.00 C ATOM 1378 O VAL A 92 4.618 3.140 -1.422 1.00 0.00 O ATOM 1379 CB VAL A 92 1.743 3.394 -0.361 1.00 0.00 C ATOM 1380 CG1 VAL A 92 1.254 4.825 -0.526 1.00 0.00 C ATOM 1381 CG2 VAL A 92 0.642 2.507 0.199 1.00 0.00 C ATOM 0 H VAL A 92 2.665 1.002 -0.779 1.00 0.00 H new ATOM 0 HA VAL A 92 1.538 3.089 -2.487 1.00 0.00 H new ATOM 0 HB VAL A 92 2.571 3.398 0.348 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.897 5.201 0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.073 5.451 -0.879 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.440 4.850 -1.251 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.293 2.915 1.148 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.188 2.468 -0.506 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.031 1.501 0.358 1.00 0.00 H new ATOM 1391 N MET A 93 3.597 4.398 -2.983 1.00 0.00 N ATOM 1392 CA MET A 93 4.819 5.084 -3.386 1.00 0.00 C ATOM 1393 C MET A 93 4.587 6.588 -3.497 1.00 0.00 C ATOM 1394 O MET A 93 3.469 7.035 -3.749 1.00 0.00 O ATOM 1395 CB MET A 93 5.322 4.534 -4.722 1.00 0.00 C ATOM 1396 CG MET A 93 6.640 5.143 -5.172 1.00 0.00 C ATOM 1397 SD MET A 93 7.422 4.204 -6.498 1.00 0.00 S ATOM 1398 CE MET A 93 6.035 3.963 -7.606 1.00 0.00 C ATOM 0 H MET A 93 2.763 4.687 -3.494 1.00 0.00 H new ATOM 0 HA MET A 93 5.575 4.906 -2.621 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.440 3.454 -4.640 1.00 0.00 H new ATOM 0 HB3 MET A 93 4.567 4.715 -5.487 1.00 0.00 H new ATOM 0 HG2 MET A 93 6.467 6.165 -5.509 1.00 0.00 H new ATOM 0 HG3 MET A 93 7.319 5.198 -4.321 1.00 0.00 H new ATOM 0 HE1 MET A 93 6.399 3.868 -8.629 1.00 0.00 H new ATOM 0 HE2 MET A 93 5.499 3.056 -7.326 1.00 0.00 H new ATOM 0 HE3 MET A 93 5.362 4.818 -7.538 1.00 0.00 H new ATOM 1408 N ALA A 94 5.651 7.362 -3.306 1.00 0.00 N ATOM 1409 CA ALA A 94 5.562 8.814 -3.387 1.00 0.00 C ATOM 1410 C ALA A 94 6.049 9.320 -4.741 1.00 0.00 C ATOM 1411 O ALA A 94 6.868 8.675 -5.396 1.00 0.00 O ATOM 1412 CB ALA A 94 6.363 9.455 -2.263 1.00 0.00 C ATOM 0 H ALA A 94 6.584 7.007 -3.094 1.00 0.00 H new ATOM 0 HA ALA A 94 4.515 9.095 -3.279 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.288 10.540 -2.336 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.967 9.127 -1.302 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.408 9.157 -2.346 1.00 0.00 H new ATOM 1418 N GLN A 95 5.540 10.476 -5.154 1.00 0.00 N ATOM 1419 CA GLN A 95 5.923 11.066 -6.431 1.00 0.00 C ATOM 1420 C GLN A 95 5.955 12.588 -6.339 1.00 0.00 C ATOM 1421 O GLN A 95 5.003 13.212 -5.872 1.00 0.00 O ATOM 1422 CB GLN A 95 4.953 10.630 -7.530 1.00 0.00 C ATOM 1423 CG GLN A 95 5.392 9.374 -8.266 1.00 0.00 C ATOM 1424 CD GLN A 95 4.221 8.548 -8.761 1.00 0.00 C ATOM 1425 OE1 GLN A 95 4.428 7.243 -8.887 1.00 0.00 O flip ATOM 1426 NE2 GLN A 95 3.141 9.078 -9.027 1.00 0.00 N flip ATOM 0 H GLN A 95 4.862 11.022 -4.623 1.00 0.00 H new ATOM 0 HA GLN A 95 6.924 10.714 -6.680 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.971 10.458 -7.089 1.00 0.00 H new ATOM 0 HB3 GLN A 95 4.842 11.442 -8.249 1.00 0.00 H new ATOM 0 HG2 GLN A 95 6.018 9.654 -9.113 1.00 0.00 H new ATOM 0 HG3 GLN A 95 6.007 8.765 -7.603 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.026 10.085 -8.915 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.362 8.509 -9.359 1.00 0.00 H new ATOM 1435 N ASN A 96 7.057 13.180 -6.789 1.00 0.00 N ATOM 1436 CA ASN A 96 7.213 14.630 -6.757 1.00 0.00 C ATOM 1437 C ASN A 96 7.550 15.171 -8.142 1.00 0.00 C ATOM 1438 O ASN A 96 7.556 14.431 -9.126 1.00 0.00 O ATOM 1439 CB ASN A 96 8.308 15.023 -5.763 1.00 0.00 C ATOM 1440 CG ASN A 96 9.700 14.727 -6.288 1.00 0.00 C ATOM 1441 OD1 ASN A 96 10.421 15.630 -6.712 1.00 0.00 O ATOM 1442 ND2 ASN A 96 10.083 13.456 -6.264 1.00 0.00 N ATOM 0 H ASN A 96 7.855 12.678 -7.180 1.00 0.00 H new ATOM 0 HA ASN A 96 6.267 15.066 -6.437 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.226 16.086 -5.538 1.00 0.00 H new ATOM 0 HB3 ASN A 96 8.154 14.487 -4.827 1.00 0.00 H new ATOM 0 HD21 ASN A 96 11.008 13.196 -6.606 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.452 12.740 -5.904 1.00 0.00 H new ATOM 1449 N LYS A 97 7.831 16.468 -8.213 1.00 0.00 N ATOM 1450 CA LYS A 97 8.171 17.111 -9.477 1.00 0.00 C ATOM 1451 C LYS A 97 9.156 16.260 -10.272 1.00 0.00 C ATOM 1452 O LYS A 97 9.265 16.394 -11.491 1.00 0.00 O ATOM 1453 CB LYS A 97 8.766 18.498 -9.224 1.00 0.00 C ATOM 1454 CG LYS A 97 9.949 18.487 -8.271 1.00 0.00 C ATOM 1455 CD LYS A 97 10.505 19.885 -8.058 1.00 0.00 C ATOM 1456 CE LYS A 97 11.707 19.870 -7.126 1.00 0.00 C ATOM 1457 NZ LYS A 97 12.295 21.228 -6.957 1.00 0.00 N ATOM 0 H LYS A 97 7.830 17.095 -7.409 1.00 0.00 H new ATOM 0 HA LYS A 97 7.256 17.217 -10.060 1.00 0.00 H new ATOM 0 HB2 LYS A 97 9.080 18.929 -10.175 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.991 19.149 -8.820 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.642 18.066 -7.313 1.00 0.00 H new ATOM 0 HG3 LYS A 97 10.731 17.840 -8.668 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.793 20.314 -9.018 1.00 0.00 H new ATOM 0 HD3 LYS A 97 9.729 20.527 -7.642 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.407 19.480 -6.153 1.00 0.00 H new ATOM 0 HE3 LYS A 97 12.464 19.193 -7.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 13.111 21.175 -6.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.604 21.590 -7.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 11.580 21.868 -6.556 1.00 0.00 H new ATOM 1471 N HIS A 98 9.872 15.384 -9.574 1.00 0.00 N ATOM 1472 CA HIS A 98 10.848 14.510 -10.215 1.00 0.00 C ATOM 1473 C HIS A 98 10.159 13.317 -10.871 1.00 0.00 C ATOM 1474 O HIS A 98 10.097 13.219 -12.096 1.00 0.00 O ATOM 1475 CB HIS A 98 11.877 14.023 -9.194 1.00 0.00 C ATOM 1476 CG HIS A 98 12.592 15.133 -8.488 1.00 0.00 C ATOM 1477 ND1 HIS A 98 13.059 15.220 -7.221 1.00 0.00 N flip ATOM 1478 CD2 HIS A 98 12.900 16.334 -9.092 1.00 0.00 C flip ATOM 1479 CE1 HIS A 98 13.635 16.459 -7.083 1.00 0.00 C flip ATOM 1480 NE2 HIS A 98 13.526 17.111 -8.227 1.00 0.00 N flip ATOM 0 H HIS A 98 9.795 15.261 -8.564 1.00 0.00 H new ATOM 0 HA HIS A 98 11.360 15.082 -10.989 1.00 0.00 H new ATOM 0 HB2 HIS A 98 11.376 13.397 -8.456 1.00 0.00 H new ATOM 0 HB3 HIS A 98 12.609 13.394 -9.700 1.00 0.00 H new ATOM 0 HD1 HIS A 98 12.995 14.499 -6.502 1.00 0.00 H new ATOM 0 HD2 HIS A 98 12.666 16.598 -10.113 1.00 0.00 H new ATOM 0 HE1 HIS A 98 14.101 16.839 -6.186 1.00 0.00 H new ATOM 1489 N GLY A 99 9.645 12.410 -10.046 1.00 0.00 N ATOM 1490 CA GLY A 99 8.969 11.234 -10.564 1.00 0.00 C ATOM 1491 C GLY A 99 8.673 10.213 -9.484 1.00 0.00 C ATOM 1492 O GLY A 99 8.308 10.571 -8.364 1.00 0.00 O ATOM 0 H GLY A 99 9.684 12.468 -9.028 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.036 11.535 -11.040 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.587 10.774 -11.335 1.00 0.00 H new ATOM 1496 N SER A 100 8.830 8.936 -9.820 1.00 0.00 N ATOM 1497 CA SER A 100 8.571 7.859 -8.873 1.00 0.00 C ATOM 1498 C SER A 100 9.858 7.430 -8.174 1.00 0.00 C ATOM 1499 O SER A 100 10.765 6.884 -8.800 1.00 0.00 O ATOM 1500 CB SER A 100 7.942 6.661 -9.588 1.00 0.00 C ATOM 1501 OG SER A 100 6.824 7.059 -10.362 1.00 0.00 O ATOM 0 H SER A 100 9.135 8.623 -10.741 1.00 0.00 H new ATOM 0 HA SER A 100 7.875 8.230 -8.121 1.00 0.00 H new ATOM 0 HB2 SER A 100 8.683 6.187 -10.231 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.634 5.916 -8.854 1.00 0.00 H new ATOM 0 HG SER A 100 6.020 7.055 -9.802 1.00 0.00 H new ATOM 1507 N GLY A 101 9.928 7.682 -6.870 1.00 0.00 N ATOM 1508 CA GLY A 101 11.106 7.316 -6.106 1.00 0.00 C ATOM 1509 C GLY A 101 11.149 5.837 -5.779 1.00 0.00 C ATOM 1510 O GLY A 101 11.477 5.015 -6.633 1.00 0.00 O ATOM 0 H GLY A 101 9.190 8.133 -6.330 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.999 7.586 -6.669 1.00 0.00 H new ATOM 0 HA3 GLY A 101 11.127 7.890 -5.180 1.00 0.00 H new ATOM 1514 N GLU A 102 10.818 5.497 -4.537 1.00 0.00 N ATOM 1515 CA GLU A 102 10.822 4.107 -4.098 1.00 0.00 C ATOM 1516 C GLU A 102 9.440 3.686 -3.607 1.00 0.00 C ATOM 1517 O GLU A 102 8.778 4.425 -2.878 1.00 0.00 O ATOM 1518 CB GLU A 102 11.855 3.902 -2.988 1.00 0.00 C ATOM 1519 CG GLU A 102 12.110 2.441 -2.656 1.00 0.00 C ATOM 1520 CD GLU A 102 13.518 2.196 -2.150 1.00 0.00 C ATOM 1521 OE1 GLU A 102 13.979 2.964 -1.280 1.00 0.00 O ATOM 1522 OE2 GLU A 102 14.159 1.234 -2.624 1.00 0.00 O ATOM 0 H GLU A 102 10.544 6.166 -3.817 1.00 0.00 H new ATOM 0 HA GLU A 102 11.089 3.485 -4.952 1.00 0.00 H new ATOM 0 HB2 GLU A 102 12.794 4.367 -3.287 1.00 0.00 H new ATOM 0 HB3 GLU A 102 11.517 4.417 -2.089 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.395 2.113 -1.902 1.00 0.00 H new ATOM 0 HG3 GLU A 102 11.936 1.834 -3.545 1.00 0.00 H new ATOM 1529 N SER A 103 9.011 2.495 -4.011 1.00 0.00 N ATOM 1530 CA SER A 103 7.707 1.978 -3.616 1.00 0.00 C ATOM 1531 C SER A 103 7.789 1.271 -2.267 1.00 0.00 C ATOM 1532 O SER A 103 8.662 0.432 -2.045 1.00 0.00 O ATOM 1533 CB SER A 103 7.174 1.013 -4.678 1.00 0.00 C ATOM 1534 OG SER A 103 6.393 1.697 -5.642 1.00 0.00 O ATOM 0 H SER A 103 9.548 1.870 -4.612 1.00 0.00 H new ATOM 0 HA SER A 103 7.022 2.821 -3.524 1.00 0.00 H new ATOM 0 HB2 SER A 103 8.008 0.512 -5.170 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.573 0.239 -4.201 1.00 0.00 H new ATOM 0 HG SER A 103 6.973 2.267 -6.188 1.00 0.00 H new ATOM 1540 N SER A 104 6.873 1.617 -1.368 1.00 0.00 N ATOM 1541 CA SER A 104 6.842 1.020 -0.038 1.00 0.00 C ATOM 1542 C SER A 104 6.790 -0.502 -0.127 1.00 0.00 C ATOM 1543 O SER A 104 6.724 -1.069 -1.217 1.00 0.00 O ATOM 1544 CB SER A 104 5.637 1.538 0.749 1.00 0.00 C ATOM 1545 OG SER A 104 4.424 1.051 0.203 1.00 0.00 O ATOM 0 H SER A 104 6.142 2.308 -1.537 1.00 0.00 H new ATOM 0 HA SER A 104 7.756 1.305 0.483 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.720 1.230 1.791 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.633 2.628 0.738 1.00 0.00 H new ATOM 0 HG SER A 104 4.025 0.402 0.819 1.00 0.00 H new ATOM 1551 N ALA A 105 6.820 -1.158 1.029 1.00 0.00 N ATOM 1552 CA ALA A 105 6.775 -2.614 1.082 1.00 0.00 C ATOM 1553 C ALA A 105 5.401 -3.135 0.674 1.00 0.00 C ATOM 1554 O ALA A 105 4.375 -2.495 0.901 1.00 0.00 O ATOM 1555 CB ALA A 105 7.133 -3.102 2.478 1.00 0.00 C ATOM 0 H ALA A 105 6.875 -0.704 1.941 1.00 0.00 H new ATOM 0 HA ALA A 105 7.507 -3.002 0.374 1.00 0.00 H new ATOM 0 HB1 ALA A 105 7.095 -4.191 2.503 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.138 -2.767 2.734 1.00 0.00 H new ATOM 0 HB3 ALA A 105 6.422 -2.698 3.198 1.00 0.00 H new ATOM 1561 N PRO A 106 5.379 -4.326 0.056 1.00 0.00 N ATOM 1562 CA PRO A 106 4.137 -4.959 -0.397 1.00 0.00 C ATOM 1563 C PRO A 106 3.272 -5.436 0.765 1.00 0.00 C ATOM 1564 O PRO A 106 3.611 -6.403 1.449 1.00 0.00 O ATOM 1565 CB PRO A 106 4.628 -6.151 -1.222 1.00 0.00 C ATOM 1566 CG PRO A 106 5.978 -6.462 -0.674 1.00 0.00 C ATOM 1567 CD PRO A 106 6.565 -5.145 -0.247 1.00 0.00 C ATOM 0 HA PRO A 106 3.506 -4.267 -0.955 1.00 0.00 H new ATOM 0 HB2 PRO A 106 3.956 -7.003 -1.125 1.00 0.00 H new ATOM 0 HB3 PRO A 106 4.679 -5.904 -2.282 1.00 0.00 H new ATOM 0 HG2 PRO A 106 5.908 -7.150 0.169 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.603 -6.942 -1.426 1.00 0.00 H new ATOM 0 HD2 PRO A 106 7.210 -5.256 0.625 1.00 0.00 H new ATOM 0 HD3 PRO A 106 7.170 -4.700 -1.037 1.00 0.00 H new ATOM 1575 N LEU A 107 2.154 -4.753 0.983 1.00 0.00 N ATOM 1576 CA LEU A 107 1.239 -5.107 2.062 1.00 0.00 C ATOM 1577 C LEU A 107 0.231 -6.154 1.600 1.00 0.00 C ATOM 1578 O LEU A 107 -0.477 -5.955 0.613 1.00 0.00 O ATOM 1579 CB LEU A 107 0.505 -3.863 2.565 1.00 0.00 C ATOM 1580 CG LEU A 107 -0.594 -4.104 3.600 1.00 0.00 C ATOM 1581 CD1 LEU A 107 0.007 -4.569 4.918 1.00 0.00 C ATOM 1582 CD2 LEU A 107 -1.420 -2.842 3.805 1.00 0.00 C ATOM 0 H LEU A 107 1.859 -3.951 0.427 1.00 0.00 H new ATOM 0 HA LEU A 107 1.826 -5.529 2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.239 -3.182 2.996 1.00 0.00 H new ATOM 0 HB3 LEU A 107 0.064 -3.355 1.708 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.252 -4.889 3.227 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.790 -4.736 5.643 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.554 -5.498 4.761 1.00 0.00 H new ATOM 0 HD13 LEU A 107 0.688 -3.807 5.296 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.197 -3.032 4.545 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.774 -2.037 4.156 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -1.881 -2.551 2.861 1.00 0.00 H new ATOM 1594 N ARG A 108 0.170 -7.269 2.321 1.00 0.00 N ATOM 1595 CA ARG A 108 -0.752 -8.347 1.986 1.00 0.00 C ATOM 1596 C ARG A 108 -2.102 -8.139 2.666 1.00 0.00 C ATOM 1597 O ARG A 108 -2.226 -8.283 3.882 1.00 0.00 O ATOM 1598 CB ARG A 108 -0.164 -9.697 2.399 1.00 0.00 C ATOM 1599 CG ARG A 108 -1.049 -10.881 2.043 1.00 0.00 C ATOM 1600 CD ARG A 108 -0.511 -12.175 2.633 1.00 0.00 C ATOM 1601 NE ARG A 108 -0.751 -12.263 4.071 1.00 0.00 N ATOM 1602 CZ ARG A 108 -0.363 -13.289 4.820 1.00 0.00 C ATOM 1603 NH1 ARG A 108 0.282 -14.309 4.270 1.00 0.00 N ATOM 1604 NH2 ARG A 108 -0.619 -13.296 6.122 1.00 0.00 N ATOM 0 H ARG A 108 0.749 -7.449 3.141 1.00 0.00 H new ATOM 0 HA ARG A 108 -0.903 -8.339 0.907 1.00 0.00 H new ATOM 0 HB2 ARG A 108 0.807 -9.823 1.920 1.00 0.00 H new ATOM 0 HB3 ARG A 108 0.010 -9.694 3.475 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -2.060 -10.705 2.411 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -1.116 -10.974 0.959 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -0.980 -13.023 2.135 1.00 0.00 H new ATOM 0 HD3 ARG A 108 0.559 -12.244 2.439 1.00 0.00 H new ATOM 0 HE ARG A 108 -1.244 -11.494 4.525 1.00 0.00 H new ATOM 0 HH11 ARG A 108 0.481 -14.307 3.270 1.00 0.00 H new ATOM 0 HH12 ARG A 108 0.579 -15.096 4.847 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -1.114 -12.513 6.549 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -0.321 -14.084 6.696 1.00 0.00 H new ATOM 1618 N VAL A 109 -3.113 -7.798 1.872 1.00 0.00 N ATOM 1619 CA VAL A 109 -4.454 -7.570 2.396 1.00 0.00 C ATOM 1620 C VAL A 109 -5.453 -8.552 1.795 1.00 0.00 C ATOM 1621 O VAL A 109 -5.422 -8.827 0.596 1.00 0.00 O ATOM 1622 CB VAL A 109 -4.930 -6.132 2.115 1.00 0.00 C ATOM 1623 CG1 VAL A 109 -6.348 -5.929 2.628 1.00 0.00 C ATOM 1624 CG2 VAL A 109 -3.978 -5.124 2.741 1.00 0.00 C ATOM 0 H VAL A 109 -3.028 -7.674 0.863 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.403 -7.723 3.474 1.00 0.00 H new ATOM 0 HB VAL A 109 -4.933 -5.973 1.037 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.667 -4.908 2.421 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.019 -6.627 2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -6.375 -6.106 3.703 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.330 -4.113 2.533 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.940 -5.280 3.819 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -2.981 -5.255 2.320 1.00 0.00 H new ATOM 1634 N GLU A 110 -6.339 -9.076 2.636 1.00 0.00 N ATOM 1635 CA GLU A 110 -7.348 -10.027 2.186 1.00 0.00 C ATOM 1636 C GLU A 110 -8.754 -9.474 2.404 1.00 0.00 C ATOM 1637 O GLU A 110 -9.159 -9.202 3.534 1.00 0.00 O ATOM 1638 CB GLU A 110 -7.192 -11.358 2.927 1.00 0.00 C ATOM 1639 CG GLU A 110 -8.173 -12.426 2.472 1.00 0.00 C ATOM 1640 CD GLU A 110 -8.133 -13.664 3.346 1.00 0.00 C ATOM 1641 OE1 GLU A 110 -8.724 -13.635 4.445 1.00 0.00 O ATOM 1642 OE2 GLU A 110 -7.510 -14.664 2.929 1.00 0.00 O ATOM 0 H GLU A 110 -6.378 -8.858 3.632 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.203 -10.193 1.119 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -6.176 -11.726 2.786 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.324 -11.187 3.995 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.182 -12.014 2.478 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -7.949 -12.705 1.442 1.00 0.00 H new ATOM 1649 N THR A 111 -9.493 -9.308 1.311 1.00 0.00 N ATOM 1650 CA THR A 111 -10.852 -8.785 1.381 1.00 0.00 C ATOM 1651 C THR A 111 -11.763 -9.724 2.164 1.00 0.00 C ATOM 1652 O THR A 111 -11.329 -10.775 2.633 1.00 0.00 O ATOM 1653 CB THR A 111 -11.443 -8.569 -0.025 1.00 0.00 C ATOM 1654 OG1 THR A 111 -11.017 -9.618 -0.902 1.00 0.00 O ATOM 1655 CG2 THR A 111 -11.016 -7.223 -0.591 1.00 0.00 C ATOM 0 H THR A 111 -9.173 -9.528 0.368 1.00 0.00 H new ATOM 0 HA THR A 111 -10.796 -7.826 1.895 1.00 0.00 H new ATOM 0 HB THR A 111 -12.530 -8.583 0.056 1.00 0.00 H new ATOM 0 HG1 THR A 111 -11.103 -9.322 -1.832 1.00 0.00 H new ATOM 0 HG21 THR A 111 -11.446 -7.093 -1.584 1.00 0.00 H new ATOM 0 HG22 THR A 111 -11.367 -6.425 0.063 1.00 0.00 H new ATOM 0 HG23 THR A 111 -9.929 -7.185 -0.658 1.00 0.00 H new ATOM 1663 N GLN A 112 -13.027 -9.337 2.300 1.00 0.00 N ATOM 1664 CA GLN A 112 -13.999 -10.145 3.027 1.00 0.00 C ATOM 1665 C GLN A 112 -14.973 -10.820 2.066 1.00 0.00 C ATOM 1666 O GLN A 112 -15.366 -10.256 1.045 1.00 0.00 O ATOM 1667 CB GLN A 112 -14.767 -9.280 4.027 1.00 0.00 C ATOM 1668 CG GLN A 112 -13.979 -8.078 4.523 1.00 0.00 C ATOM 1669 CD GLN A 112 -12.859 -8.465 5.469 1.00 0.00 C ATOM 1670 OE1 GLN A 112 -12.606 -9.648 5.699 1.00 0.00 O ATOM 1671 NE2 GLN A 112 -12.181 -7.467 6.023 1.00 0.00 N ATOM 0 H GLN A 112 -13.402 -8.469 1.917 1.00 0.00 H new ATOM 0 HA GLN A 112 -13.457 -10.920 3.570 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -15.689 -8.932 3.561 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -15.053 -9.894 4.881 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -13.561 -7.545 3.669 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -14.655 -7.389 5.029 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -12.425 -6.501 5.804 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -11.416 -7.666 6.668 1.00 0.00 H new ATOM 1680 N PRO A 113 -15.373 -12.056 2.400 1.00 0.00 N ATOM 1681 CA PRO A 113 -16.306 -12.834 1.580 1.00 0.00 C ATOM 1682 C PRO A 113 -17.720 -12.262 1.611 1.00 0.00 C ATOM 1683 O PRO A 113 -18.472 -12.494 2.557 1.00 0.00 O ATOM 1684 CB PRO A 113 -16.276 -14.220 2.227 1.00 0.00 C ATOM 1685 CG PRO A 113 -15.874 -13.971 3.640 1.00 0.00 C ATOM 1686 CD PRO A 113 -14.945 -12.789 3.603 1.00 0.00 C ATOM 0 HA PRO A 113 -16.022 -12.834 0.528 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -17.251 -14.703 2.172 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -15.566 -14.876 1.723 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.744 -13.764 4.263 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.378 -14.844 4.065 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -15.037 -12.177 4.500 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -13.902 -13.099 3.535 1.00 0.00 H new ATOM 1694 N GLU A 114 -18.075 -11.516 0.569 1.00 0.00 N ATOM 1695 CA GLU A 114 -19.399 -10.912 0.479 1.00 0.00 C ATOM 1696 C GLU A 114 -20.401 -11.886 -0.134 1.00 0.00 C ATOM 1697 O GLU A 114 -21.261 -11.495 -0.922 1.00 0.00 O ATOM 1698 CB GLU A 114 -19.343 -9.630 -0.355 1.00 0.00 C ATOM 1699 CG GLU A 114 -18.861 -9.850 -1.779 1.00 0.00 C ATOM 1700 CD GLU A 114 -19.994 -10.167 -2.736 1.00 0.00 C ATOM 1701 OE1 GLU A 114 -20.896 -9.317 -2.888 1.00 0.00 O ATOM 1702 OE2 GLU A 114 -19.979 -11.265 -3.331 1.00 0.00 O ATOM 0 H GLU A 114 -17.465 -11.316 -0.223 1.00 0.00 H new ATOM 0 HA GLU A 114 -19.728 -10.667 1.489 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -20.336 -9.181 -0.382 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -18.683 -8.915 0.137 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -18.338 -8.958 -2.124 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -18.140 -10.667 -1.792 1.00 0.00 H new ATOM 1709 N SER A 115 -20.282 -13.158 0.235 1.00 0.00 N ATOM 1710 CA SER A 115 -21.174 -14.190 -0.280 1.00 0.00 C ATOM 1711 C SER A 115 -21.946 -14.857 0.854 1.00 0.00 C ATOM 1712 O SER A 115 -22.082 -16.079 0.893 1.00 0.00 O ATOM 1713 CB SER A 115 -20.377 -15.240 -1.057 1.00 0.00 C ATOM 1714 OG SER A 115 -21.190 -15.884 -2.023 1.00 0.00 O ATOM 0 H SER A 115 -19.577 -13.498 0.889 1.00 0.00 H new ATOM 0 HA SER A 115 -21.889 -13.716 -0.952 1.00 0.00 H new ATOM 0 HB2 SER A 115 -19.528 -14.766 -1.549 1.00 0.00 H new ATOM 0 HB3 SER A 115 -19.973 -15.979 -0.366 1.00 0.00 H new ATOM 0 HG SER A 115 -20.658 -16.549 -2.507 1.00 0.00 H new ATOM 1720 N GLY A 116 -22.450 -14.043 1.777 1.00 0.00 N ATOM 1721 CA GLY A 116 -23.202 -14.571 2.900 1.00 0.00 C ATOM 1722 C GLY A 116 -24.597 -13.985 2.991 1.00 0.00 C ATOM 1723 O GLY A 116 -25.055 -13.277 2.094 1.00 0.00 O ATOM 0 H GLY A 116 -22.351 -13.028 1.767 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -23.272 -15.655 2.809 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -22.663 -14.363 3.824 1.00 0.00 H new ATOM 1727 N PRO A 117 -25.297 -14.281 4.096 1.00 0.00 N ATOM 1728 CA PRO A 117 -26.659 -13.789 4.326 1.00 0.00 C ATOM 1729 C PRO A 117 -26.696 -12.287 4.586 1.00 0.00 C ATOM 1730 O PRO A 117 -27.531 -11.572 4.032 1.00 0.00 O ATOM 1731 CB PRO A 117 -27.109 -14.559 5.570 1.00 0.00 C ATOM 1732 CG PRO A 117 -25.845 -14.905 6.279 1.00 0.00 C ATOM 1733 CD PRO A 117 -24.813 -15.119 5.206 1.00 0.00 C ATOM 0 HA PRO A 117 -27.300 -13.943 3.458 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -27.761 -13.951 6.197 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -27.670 -15.454 5.300 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -25.545 -14.104 6.955 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -25.970 -15.803 6.884 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -23.820 -14.814 5.537 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -24.745 -16.168 4.918 1.00 0.00 H new ATOM 1741 N SER A 118 -25.787 -11.815 5.433 1.00 0.00 N ATOM 1742 CA SER A 118 -25.718 -10.398 5.769 1.00 0.00 C ATOM 1743 C SER A 118 -25.672 -9.542 4.507 1.00 0.00 C ATOM 1744 O SER A 118 -24.676 -9.538 3.783 1.00 0.00 O ATOM 1745 CB SER A 118 -24.489 -10.117 6.636 1.00 0.00 C ATOM 1746 OG SER A 118 -24.434 -8.752 7.015 1.00 0.00 O ATOM 0 H SER A 118 -25.088 -12.393 5.899 1.00 0.00 H new ATOM 0 HA SER A 118 -26.616 -10.138 6.330 1.00 0.00 H new ATOM 0 HB2 SER A 118 -24.517 -10.744 7.527 1.00 0.00 H new ATOM 0 HB3 SER A 118 -23.585 -10.382 6.088 1.00 0.00 H new ATOM 0 HG SER A 118 -23.641 -8.598 7.570 1.00 0.00 H new ATOM 1752 N SER A 119 -26.756 -8.817 4.251 1.00 0.00 N ATOM 1753 CA SER A 119 -26.842 -7.959 3.075 1.00 0.00 C ATOM 1754 C SER A 119 -26.099 -6.646 3.305 1.00 0.00 C ATOM 1755 O SER A 119 -25.166 -6.312 2.576 1.00 0.00 O ATOM 1756 CB SER A 119 -28.305 -7.676 2.730 1.00 0.00 C ATOM 1757 OG SER A 119 -28.407 -6.773 1.642 1.00 0.00 O ATOM 0 H SER A 119 -27.587 -8.807 4.842 1.00 0.00 H new ATOM 0 HA SER A 119 -26.373 -8.480 2.240 1.00 0.00 H new ATOM 0 HB2 SER A 119 -28.810 -8.609 2.481 1.00 0.00 H new ATOM 0 HB3 SER A 119 -28.813 -7.261 3.600 1.00 0.00 H new ATOM 0 HG SER A 119 -29.352 -6.610 1.440 1.00 0.00 H new ATOM 1763 N GLY A 120 -26.521 -5.905 4.325 1.00 0.00 N ATOM 1764 CA GLY A 120 -25.886 -4.637 4.634 1.00 0.00 C ATOM 1765 C GLY A 120 -25.626 -4.465 6.118 1.00 0.00 C ATOM 1766 O GLY A 120 -26.079 -5.270 6.931 1.00 0.00 O ATOM 0 H GLY A 120 -27.291 -6.160 4.943 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -24.943 -4.565 4.092 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -26.519 -3.822 4.282 1.00 0.00 H new TER 1770 GLY A 120