USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 916 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 16 HIS : no HD1:sc= -1.59 K(o=-8,f=-6) USER MOD Set 1.2: A 25 LYS NZ :NH3+ -140:sc= -0.257 (180deg=0) USER MOD Set 1.3: A 27 HIS : no HE2:sc= -6.15! C(o=-8!,f=-10!) USER MOD Set 1.4: A 49 LYS NZ :NH3+ -135:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 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 38:sc= 0.903 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -60:sc= 0.232 USER MOD Single : A 18 SER OG : rot -170:sc= -1.06 USER MOD Single : A 19 ASN : amide:sc= -2.88! C(o=-2.9!,f=-1.1!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 47:sc= 0.267 USER MOD Single : A 28 TYR OH : rot -126:sc= 0.551 USER MOD Single : A 33 CYS SG : rot -44:sc= -0.176 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 24:sc= -2.45 USER MOD Single : A 37 THR OG1 : rot -92:sc= 0.00413 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= -1.58 X(o=-1.6,f=-2.1) USER MOD Single : A 42 ASN : amide:sc= -0.361 X(o=-0.36,f=-0.4) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0423 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 14:sc= 0.866 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.188 K(o=-0.19,f=-1.9!) USER MOD Single : A 64 ASN : amide:sc=-0.00594 X(o=-0.0059,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.162 K(o=-0.16,f=-6.2!) USER MOD Single : A 75 HIS : no HE2:sc= -7.24! C(o=-7.2!,f=-14!) USER MOD Single : A 76 CYS SG : rot 180:sc= -0.0415 USER MOD Single : A 81 THR OG1 : rot -12:sc= 0.689 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -0.0771 K(o=-0.077,f=-1.4!) USER MOD Single : A 119 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= -0.14 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.129 21.587 11.925 1.00 0.00 N ATOM 2 CA GLY A 1 6.952 21.533 13.119 1.00 0.00 C ATOM 3 C GLY A 1 8.334 20.973 12.845 1.00 0.00 C ATOM 4 O GLY A 1 9.321 21.709 12.847 1.00 0.00 O ATOM 0 H1 GLY A 1 5.195 21.977 12.165 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.586 22.195 11.215 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.015 20.628 11.538 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.046 22.535 13.538 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.457 20.918 13.871 1.00 0.00 H new ATOM 8 N SER A 2 8.406 19.667 12.610 1.00 0.00 N ATOM 9 CA SER A 2 9.678 19.007 12.339 1.00 0.00 C ATOM 10 C SER A 2 9.731 18.501 10.901 1.00 0.00 C ATOM 11 O SER A 2 8.972 17.612 10.516 1.00 0.00 O ATOM 12 CB SER A 2 9.890 17.844 13.310 1.00 0.00 C ATOM 13 OG SER A 2 11.120 17.187 13.056 1.00 0.00 O ATOM 0 H SER A 2 7.598 19.044 12.602 1.00 0.00 H new ATOM 0 HA SER A 2 10.476 19.737 12.478 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.877 18.215 14.335 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.068 17.134 13.217 1.00 0.00 H new ATOM 0 HG SER A 2 11.234 16.449 13.690 1.00 0.00 H new ATOM 19 N SER A 3 10.635 19.073 10.112 1.00 0.00 N ATOM 20 CA SER A 3 10.786 18.683 8.715 1.00 0.00 C ATOM 21 C SER A 3 11.985 17.757 8.536 1.00 0.00 C ATOM 22 O SER A 3 12.904 17.747 9.355 1.00 0.00 O ATOM 23 CB SER A 3 10.948 19.922 7.832 1.00 0.00 C ATOM 24 OG SER A 3 9.709 20.585 7.652 1.00 0.00 O ATOM 0 H SER A 3 11.274 19.808 10.416 1.00 0.00 H new ATOM 0 HA SER A 3 9.886 18.146 8.414 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.667 20.604 8.286 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.353 19.631 6.863 1.00 0.00 H new ATOM 0 HG SER A 3 9.839 21.374 7.086 1.00 0.00 H new ATOM 30 N GLY A 4 11.969 16.978 7.458 1.00 0.00 N ATOM 31 CA GLY A 4 13.059 16.059 7.191 1.00 0.00 C ATOM 32 C GLY A 4 12.733 15.081 6.079 1.00 0.00 C ATOM 33 O GLY A 4 13.500 14.934 5.128 1.00 0.00 O ATOM 0 H GLY A 4 11.220 16.968 6.765 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.951 16.626 6.923 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.295 15.506 8.100 1.00 0.00 H new ATOM 37 N SER A 5 11.593 14.409 6.200 1.00 0.00 N ATOM 38 CA SER A 5 11.170 13.435 5.200 1.00 0.00 C ATOM 39 C SER A 5 10.604 14.134 3.968 1.00 0.00 C ATOM 40 O SER A 5 10.277 15.320 4.008 1.00 0.00 O ATOM 41 CB SER A 5 10.123 12.489 5.790 1.00 0.00 C ATOM 42 OG SER A 5 10.580 11.914 7.002 1.00 0.00 O ATOM 0 H SER A 5 10.946 14.521 6.980 1.00 0.00 H new ATOM 0 HA SER A 5 12.043 12.856 4.899 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.196 13.034 5.969 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.896 11.700 5.073 1.00 0.00 H new ATOM 0 HG SER A 5 9.892 11.315 7.360 1.00 0.00 H new ATOM 48 N SER A 6 10.491 13.389 2.873 1.00 0.00 N ATOM 49 CA SER A 6 9.968 13.936 1.626 1.00 0.00 C ATOM 50 C SER A 6 9.590 12.818 0.659 1.00 0.00 C ATOM 51 O SER A 6 9.818 11.641 0.933 1.00 0.00 O ATOM 52 CB SER A 6 11.001 14.859 0.977 1.00 0.00 C ATOM 53 OG SER A 6 10.850 16.193 1.432 1.00 0.00 O ATOM 0 H SER A 6 10.755 12.405 2.824 1.00 0.00 H new ATOM 0 HA SER A 6 9.072 14.511 1.858 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.006 14.504 1.207 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.892 14.827 -0.107 1.00 0.00 H new ATOM 0 HG SER A 6 10.625 16.190 2.386 1.00 0.00 H new ATOM 59 N GLY A 7 9.009 13.197 -0.476 1.00 0.00 N ATOM 60 CA GLY A 7 8.607 12.217 -1.467 1.00 0.00 C ATOM 61 C GLY A 7 7.485 11.323 -0.978 1.00 0.00 C ATOM 62 O GLY A 7 6.365 11.785 -0.758 1.00 0.00 O ATOM 0 H GLY A 7 8.810 14.166 -0.726 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.288 12.732 -2.374 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.466 11.602 -1.735 1.00 0.00 H new ATOM 66 N THR A 8 7.784 10.039 -0.808 1.00 0.00 N ATOM 67 CA THR A 8 6.791 9.078 -0.344 1.00 0.00 C ATOM 68 C THR A 8 6.993 8.747 1.130 1.00 0.00 C ATOM 69 O THR A 8 8.115 8.499 1.574 1.00 0.00 O ATOM 70 CB THR A 8 6.846 7.775 -1.163 1.00 0.00 C ATOM 71 OG1 THR A 8 6.881 8.077 -2.563 1.00 0.00 O ATOM 72 CG2 THR A 8 5.644 6.894 -0.859 1.00 0.00 C ATOM 0 H THR A 8 8.706 9.640 -0.985 1.00 0.00 H new ATOM 0 HA THR A 8 5.814 9.543 -0.479 1.00 0.00 H new ATOM 0 HB THR A 8 7.752 7.235 -0.886 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.918 7.243 -3.077 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.705 5.980 -1.449 1.00 0.00 H new ATOM 0 HG22 THR A 8 5.637 6.642 0.201 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.728 7.428 -1.111 1.00 0.00 H new ATOM 80 N LEU A 9 5.900 8.745 1.886 1.00 0.00 N ATOM 81 CA LEU A 9 5.957 8.443 3.312 1.00 0.00 C ATOM 82 C LEU A 9 5.971 6.936 3.550 1.00 0.00 C ATOM 83 O LEU A 9 6.742 6.434 4.368 1.00 0.00 O ATOM 84 CB LEU A 9 4.765 9.074 4.034 1.00 0.00 C ATOM 85 CG LEU A 9 4.467 10.533 3.689 1.00 0.00 C ATOM 86 CD1 LEU A 9 3.106 10.942 4.230 1.00 0.00 C ATOM 87 CD2 LEU A 9 5.556 11.444 4.238 1.00 0.00 C ATOM 0 H LEU A 9 4.964 8.949 1.535 1.00 0.00 H new ATOM 0 HA LEU A 9 6.880 8.863 3.711 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.877 8.481 3.814 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.937 9.003 5.108 1.00 0.00 H new ATOM 0 HG LEU A 9 4.449 10.633 2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.911 11.984 3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.335 10.310 3.790 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.095 10.826 5.314 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.327 12.479 3.983 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.605 11.340 5.322 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.516 11.167 3.803 1.00 0.00 H new ATOM 99 N ARG A 10 5.115 6.220 2.828 1.00 0.00 N ATOM 100 CA ARG A 10 5.030 4.771 2.960 1.00 0.00 C ATOM 101 C ARG A 10 4.950 4.104 1.589 1.00 0.00 C ATOM 102 O ARG A 10 4.526 4.721 0.613 1.00 0.00 O ATOM 103 CB ARG A 10 3.811 4.385 3.799 1.00 0.00 C ATOM 104 CG ARG A 10 3.805 2.927 4.228 1.00 0.00 C ATOM 105 CD ARG A 10 3.037 2.731 5.526 1.00 0.00 C ATOM 106 NE ARG A 10 3.439 1.511 6.222 1.00 0.00 N ATOM 107 CZ ARG A 10 4.589 1.382 6.874 1.00 0.00 C ATOM 108 NH1 ARG A 10 5.446 2.393 6.920 1.00 0.00 N ATOM 109 NH2 ARG A 10 4.883 0.240 7.482 1.00 0.00 N ATOM 0 H ARG A 10 4.471 6.620 2.146 1.00 0.00 H new ATOM 0 HA ARG A 10 5.933 4.423 3.462 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.777 5.016 4.687 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.906 4.590 3.227 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.357 2.318 3.443 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.830 2.580 4.355 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.200 3.590 6.177 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.969 2.691 5.313 1.00 0.00 H new ATOM 0 HE ARG A 10 2.802 0.715 6.206 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.223 3.272 6.454 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.328 2.291 7.421 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.226 -0.539 7.449 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.766 0.141 7.983 1.00 0.00 H new ATOM 123 N GLU A 11 5.361 2.842 1.526 1.00 0.00 N ATOM 124 CA GLU A 11 5.336 2.093 0.275 1.00 0.00 C ATOM 125 C GLU A 11 5.472 0.595 0.535 1.00 0.00 C ATOM 126 O GLU A 11 6.211 0.173 1.424 1.00 0.00 O ATOM 127 CB GLU A 11 6.460 2.565 -0.650 1.00 0.00 C ATOM 128 CG GLU A 11 7.694 3.052 0.091 1.00 0.00 C ATOM 129 CD GLU A 11 8.265 2.003 1.025 1.00 0.00 C ATOM 130 OE1 GLU A 11 9.037 1.143 0.550 1.00 0.00 O ATOM 131 OE2 GLU A 11 7.941 2.041 2.230 1.00 0.00 O ATOM 0 H GLU A 11 5.715 2.317 2.326 1.00 0.00 H new ATOM 0 HA GLU A 11 4.376 2.275 -0.209 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.743 1.746 -1.311 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.085 3.370 -1.282 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.456 3.343 -0.632 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.441 3.944 0.664 1.00 0.00 H new ATOM 138 N GLY A 12 4.752 -0.203 -0.248 1.00 0.00 N ATOM 139 CA GLY A 12 4.805 -1.645 -0.087 1.00 0.00 C ATOM 140 C GLY A 12 3.590 -2.338 -0.669 1.00 0.00 C ATOM 141 O GLY A 12 2.550 -1.713 -0.874 1.00 0.00 O ATOM 0 H GLY A 12 4.133 0.123 -0.991 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.704 -2.029 -0.569 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.884 -1.887 0.973 1.00 0.00 H new ATOM 145 N TRP A 13 3.721 -3.632 -0.937 1.00 0.00 N ATOM 146 CA TRP A 13 2.625 -4.411 -1.501 1.00 0.00 C ATOM 147 C TRP A 13 1.428 -4.429 -0.557 1.00 0.00 C ATOM 148 O TRP A 13 1.535 -4.869 0.588 1.00 0.00 O ATOM 149 CB TRP A 13 3.084 -5.841 -1.791 1.00 0.00 C ATOM 150 CG TRP A 13 4.244 -5.912 -2.737 1.00 0.00 C ATOM 151 CD1 TRP A 13 5.561 -6.070 -2.408 1.00 0.00 C ATOM 152 CD2 TRP A 13 4.193 -5.825 -4.165 1.00 0.00 C ATOM 153 NE1 TRP A 13 6.330 -6.087 -3.546 1.00 0.00 N ATOM 154 CE2 TRP A 13 5.515 -5.939 -4.637 1.00 0.00 C ATOM 155 CE3 TRP A 13 3.159 -5.665 -5.091 1.00 0.00 C ATOM 156 CZ2 TRP A 13 5.827 -5.896 -5.993 1.00 0.00 C ATOM 157 CZ3 TRP A 13 3.470 -5.622 -6.436 1.00 0.00 C ATOM 158 CH2 TRP A 13 4.795 -5.738 -6.877 1.00 0.00 C ATOM 0 H TRP A 13 4.576 -4.164 -0.773 1.00 0.00 H new ATOM 0 HA TRP A 13 2.320 -3.939 -2.435 1.00 0.00 H new ATOM 0 HB2 TRP A 13 3.359 -6.324 -0.853 1.00 0.00 H new ATOM 0 HB3 TRP A 13 2.250 -6.405 -2.207 1.00 0.00 H new ATOM 0 HD1 TRP A 13 5.941 -6.167 -1.402 1.00 0.00 H new ATOM 0 HE1 TRP A 13 7.344 -6.193 -3.574 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.135 -5.577 -4.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.848 -5.984 -6.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.679 -5.497 -7.160 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.006 -5.702 -7.936 1.00 0.00 H new ATOM 169 N VAL A 14 0.288 -3.950 -1.043 1.00 0.00 N ATOM 170 CA VAL A 14 -0.930 -3.913 -0.242 1.00 0.00 C ATOM 171 C VAL A 14 -2.150 -4.283 -1.079 1.00 0.00 C ATOM 172 O VAL A 14 -2.269 -3.877 -2.235 1.00 0.00 O ATOM 173 CB VAL A 14 -1.150 -2.522 0.380 1.00 0.00 C ATOM 174 CG1 VAL A 14 -2.467 -2.480 1.141 1.00 0.00 C ATOM 175 CG2 VAL A 14 0.012 -2.156 1.291 1.00 0.00 C ATOM 0 H VAL A 14 0.182 -3.582 -1.988 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.806 -4.644 0.557 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.198 -1.787 -0.424 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.606 -1.489 1.574 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.289 -2.696 0.458 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.451 -3.225 1.937 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.160 -1.170 1.722 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.093 -2.892 2.091 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.937 -2.143 0.714 1.00 0.00 H new ATOM 185 N VAL A 15 -3.055 -5.055 -0.487 1.00 0.00 N ATOM 186 CA VAL A 15 -4.268 -5.478 -1.177 1.00 0.00 C ATOM 187 C VAL A 15 -5.489 -4.733 -0.649 1.00 0.00 C ATOM 188 O VAL A 15 -5.601 -4.473 0.549 1.00 0.00 O ATOM 189 CB VAL A 15 -4.500 -6.993 -1.026 1.00 0.00 C ATOM 190 CG1 VAL A 15 -4.766 -7.351 0.428 1.00 0.00 C ATOM 191 CG2 VAL A 15 -5.649 -7.447 -1.914 1.00 0.00 C ATOM 0 H VAL A 15 -2.971 -5.400 0.469 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.130 -5.242 -2.232 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.597 -7.514 -1.344 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.928 -8.425 0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.909 -7.063 1.036 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.653 -6.822 0.777 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.799 -8.520 -1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.559 -6.919 -1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.413 -7.227 -2.955 1.00 0.00 H new ATOM 201 N HIS A 16 -6.403 -4.392 -1.552 1.00 0.00 N ATOM 202 CA HIS A 16 -7.618 -3.678 -1.177 1.00 0.00 C ATOM 203 C HIS A 16 -8.788 -4.093 -2.064 1.00 0.00 C ATOM 204 O HIS A 16 -8.603 -4.766 -3.078 1.00 0.00 O ATOM 205 CB HIS A 16 -7.398 -2.168 -1.277 1.00 0.00 C ATOM 206 CG HIS A 16 -7.413 -1.652 -2.683 1.00 0.00 C ATOM 207 ND1 HIS A 16 -6.699 -2.238 -3.707 1.00 0.00 N ATOM 208 CD2 HIS A 16 -8.063 -0.600 -3.234 1.00 0.00 C ATOM 209 CE1 HIS A 16 -6.907 -1.567 -4.826 1.00 0.00 C ATOM 210 NE2 HIS A 16 -7.732 -0.569 -4.566 1.00 0.00 N ATOM 0 H HIS A 16 -6.325 -4.599 -2.548 1.00 0.00 H new ATOM 0 HA HIS A 16 -7.858 -3.936 -0.145 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.172 -1.658 -0.703 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -6.442 -1.917 -0.817 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.720 0.087 -2.721 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -6.476 -1.796 -5.789 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -8.069 0.114 -5.245 1.00 0.00 H new ATOM 219 N TYR A 17 -9.992 -3.688 -1.675 1.00 0.00 N ATOM 220 CA TYR A 17 -11.192 -4.021 -2.432 1.00 0.00 C ATOM 221 C TYR A 17 -12.408 -3.285 -1.878 1.00 0.00 C ATOM 222 O TYR A 17 -12.516 -3.061 -0.672 1.00 0.00 O ATOM 223 CB TYR A 17 -11.438 -5.530 -2.401 1.00 0.00 C ATOM 224 CG TYR A 17 -11.708 -6.072 -1.015 1.00 0.00 C ATOM 225 CD1 TYR A 17 -13.001 -6.128 -0.509 1.00 0.00 C ATOM 226 CD2 TYR A 17 -10.670 -6.527 -0.212 1.00 0.00 C ATOM 227 CE1 TYR A 17 -13.252 -6.621 0.756 1.00 0.00 C ATOM 228 CE2 TYR A 17 -10.911 -7.023 1.055 1.00 0.00 C ATOM 229 CZ TYR A 17 -12.204 -7.067 1.534 1.00 0.00 C ATOM 230 OH TYR A 17 -12.450 -7.560 2.795 1.00 0.00 O ATOM 0 H TYR A 17 -10.162 -3.128 -0.839 1.00 0.00 H new ATOM 0 HA TYR A 17 -11.038 -3.706 -3.464 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -12.285 -5.765 -3.045 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -10.570 -6.040 -2.818 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.824 -5.780 -1.116 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -9.657 -6.493 -0.584 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -14.263 -6.657 1.134 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.093 -7.374 1.666 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.875 -6.866 3.341 1.00 0.00 H new ATOM 240 N SER A 18 -13.322 -2.911 -2.768 1.00 0.00 N ATOM 241 CA SER A 18 -14.530 -2.197 -2.369 1.00 0.00 C ATOM 242 C SER A 18 -15.672 -3.172 -2.096 1.00 0.00 C ATOM 243 O SER A 18 -15.526 -4.380 -2.272 1.00 0.00 O ATOM 244 CB SER A 18 -14.942 -1.203 -3.457 1.00 0.00 C ATOM 245 OG SER A 18 -15.103 -1.851 -4.706 1.00 0.00 O ATOM 0 H SER A 18 -13.249 -3.090 -3.769 1.00 0.00 H new ATOM 0 HA SER A 18 -14.314 -1.651 -1.451 1.00 0.00 H new ATOM 0 HB2 SER A 18 -15.875 -0.716 -3.174 1.00 0.00 H new ATOM 0 HB3 SER A 18 -14.187 -0.421 -3.544 1.00 0.00 H new ATOM 0 HG SER A 18 -15.210 -1.179 -5.412 1.00 0.00 H new ATOM 251 N ASN A 19 -16.808 -2.635 -1.664 1.00 0.00 N ATOM 252 CA ASN A 19 -17.976 -3.456 -1.366 1.00 0.00 C ATOM 253 C ASN A 19 -18.973 -3.424 -2.520 1.00 0.00 C ATOM 254 O ASN A 19 -20.186 -3.443 -2.308 1.00 0.00 O ATOM 255 CB ASN A 19 -18.650 -2.972 -0.080 1.00 0.00 C ATOM 256 CG ASN A 19 -19.682 -1.891 -0.340 1.00 0.00 C ATOM 257 OD1 ASN A 19 -20.873 -2.083 -0.094 1.00 0.00 O ATOM 258 ND2 ASN A 19 -19.228 -0.748 -0.840 1.00 0.00 N ATOM 0 H ASN A 19 -16.945 -1.636 -1.512 1.00 0.00 H new ATOM 0 HA ASN A 19 -17.641 -4.484 -1.228 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -19.129 -3.816 0.416 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -17.891 -2.590 0.603 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -19.875 0.016 -1.036 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -18.232 -0.634 -1.028 1.00 0.00 H new ATOM 265 N LYS A 20 -18.454 -3.374 -3.742 1.00 0.00 N ATOM 266 CA LYS A 20 -19.297 -3.341 -4.931 1.00 0.00 C ATOM 267 C LYS A 20 -18.820 -4.355 -5.965 1.00 0.00 C ATOM 268 O LYS A 20 -19.627 -5.001 -6.634 1.00 0.00 O ATOM 269 CB LYS A 20 -19.299 -1.937 -5.541 1.00 0.00 C ATOM 270 CG LYS A 20 -17.909 -1.394 -5.822 1.00 0.00 C ATOM 271 CD LYS A 20 -17.954 0.068 -6.232 1.00 0.00 C ATOM 272 CE LYS A 20 -18.575 0.242 -7.609 1.00 0.00 C ATOM 273 NZ LYS A 20 -17.553 0.179 -8.691 1.00 0.00 N ATOM 0 H LYS A 20 -17.453 -3.355 -3.935 1.00 0.00 H new ATOM 0 HA LYS A 20 -20.312 -3.603 -4.633 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -19.868 -1.955 -6.471 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -19.816 -1.257 -4.864 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -17.288 -1.505 -4.933 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -17.441 -1.980 -6.613 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -18.528 0.635 -5.499 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -16.944 0.478 -6.233 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -19.323 -0.534 -7.771 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -19.094 1.199 -7.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.016 0.302 -9.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -16.853 0.935 -8.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -17.075 -0.744 -8.664 1.00 0.00 H new ATOM 287 N ASP A 21 -17.504 -4.491 -6.090 1.00 0.00 N ATOM 288 CA ASP A 21 -16.919 -5.429 -7.042 1.00 0.00 C ATOM 289 C ASP A 21 -15.979 -6.401 -6.337 1.00 0.00 C ATOM 290 O ASP A 21 -15.723 -7.501 -6.828 1.00 0.00 O ATOM 291 CB ASP A 21 -16.165 -4.674 -8.137 1.00 0.00 C ATOM 292 CG ASP A 21 -17.092 -4.120 -9.202 1.00 0.00 C ATOM 293 OD1 ASP A 21 -17.895 -3.220 -8.879 1.00 0.00 O ATOM 294 OD2 ASP A 21 -17.015 -4.587 -10.357 1.00 0.00 O ATOM 0 H ASP A 21 -16.822 -3.964 -5.544 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.728 -5.999 -7.497 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.602 -3.856 -7.688 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -15.440 -5.342 -8.602 1.00 0.00 H new ATOM 299 N THR A 22 -15.464 -5.988 -5.183 1.00 0.00 N ATOM 300 CA THR A 22 -14.550 -6.821 -4.412 1.00 0.00 C ATOM 301 C THR A 22 -13.421 -7.354 -5.286 1.00 0.00 C ATOM 302 O THR A 22 -13.195 -8.562 -5.359 1.00 0.00 O ATOM 303 CB THR A 22 -15.285 -8.009 -3.762 1.00 0.00 C ATOM 304 OG1 THR A 22 -16.238 -8.556 -4.679 1.00 0.00 O ATOM 305 CG2 THR A 22 -15.992 -7.575 -2.486 1.00 0.00 C ATOM 0 H THR A 22 -15.665 -5.081 -4.762 1.00 0.00 H new ATOM 0 HA THR A 22 -14.132 -6.189 -3.629 1.00 0.00 H new ATOM 0 HB THR A 22 -14.547 -8.770 -3.509 1.00 0.00 H new ATOM 0 HG1 THR A 22 -15.817 -8.674 -5.556 1.00 0.00 H new ATOM 0 HG21 THR A 22 -16.504 -8.430 -2.045 1.00 0.00 H new ATOM 0 HG22 THR A 22 -15.260 -7.186 -1.779 1.00 0.00 H new ATOM 0 HG23 THR A 22 -16.719 -6.798 -2.720 1.00 0.00 H new ATOM 313 N LEU A 23 -12.714 -6.445 -5.949 1.00 0.00 N ATOM 314 CA LEU A 23 -11.606 -6.824 -6.819 1.00 0.00 C ATOM 315 C LEU A 23 -10.288 -6.834 -6.051 1.00 0.00 C ATOM 316 O LEU A 23 -9.351 -6.115 -6.397 1.00 0.00 O ATOM 317 CB LEU A 23 -11.511 -5.862 -8.005 1.00 0.00 C ATOM 318 CG LEU A 23 -12.812 -5.602 -8.764 1.00 0.00 C ATOM 319 CD1 LEU A 23 -12.594 -4.569 -9.859 1.00 0.00 C ATOM 320 CD2 LEU A 23 -13.355 -6.897 -9.352 1.00 0.00 C ATOM 0 H LEU A 23 -12.888 -5.441 -5.901 1.00 0.00 H new ATOM 0 HA LEU A 23 -11.796 -7.831 -7.190 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.128 -4.908 -7.643 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.776 -6.255 -8.708 1.00 0.00 H new ATOM 0 HG LEU A 23 -13.547 -5.208 -8.062 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -13.531 -4.397 -10.389 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -12.251 -3.635 -9.415 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.843 -4.934 -10.560 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -14.281 -6.693 -9.889 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -12.623 -7.319 -10.040 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -13.550 -7.608 -8.549 1.00 0.00 H new ATOM 332 N ARG A 24 -10.224 -7.655 -5.007 1.00 0.00 N ATOM 333 CA ARG A 24 -9.021 -7.759 -4.191 1.00 0.00 C ATOM 334 C ARG A 24 -7.775 -7.845 -5.067 1.00 0.00 C ATOM 335 O ARG A 24 -7.462 -8.899 -5.620 1.00 0.00 O ATOM 336 CB ARG A 24 -9.102 -8.985 -3.280 1.00 0.00 C ATOM 337 CG ARG A 24 -10.275 -8.950 -2.314 1.00 0.00 C ATOM 338 CD ARG A 24 -9.942 -9.652 -1.007 1.00 0.00 C ATOM 339 NE ARG A 24 -9.535 -11.039 -1.219 1.00 0.00 N ATOM 340 CZ ARG A 24 -10.371 -12.002 -1.588 1.00 0.00 C ATOM 341 NH1 ARG A 24 -11.654 -11.732 -1.786 1.00 0.00 N ATOM 342 NH2 ARG A 24 -9.924 -13.240 -1.761 1.00 0.00 N ATOM 0 H ARG A 24 -10.991 -8.257 -4.707 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.951 -6.861 -3.576 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.177 -9.881 -3.896 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.176 -9.066 -2.711 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.551 -7.915 -2.112 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.141 -9.427 -2.774 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.142 -9.113 -0.500 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.811 -9.626 -0.350 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.555 -11.281 -1.076 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.001 -10.782 -1.655 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.294 -12.474 -2.069 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.938 -13.452 -1.610 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.567 -13.979 -2.044 1.00 0.00 H new ATOM 356 N LYS A 25 -7.066 -6.727 -5.189 1.00 0.00 N ATOM 357 CA LYS A 25 -5.853 -6.675 -5.997 1.00 0.00 C ATOM 358 C LYS A 25 -4.681 -6.133 -5.184 1.00 0.00 C ATOM 359 O LYS A 25 -4.728 -5.010 -4.682 1.00 0.00 O ATOM 360 CB LYS A 25 -6.077 -5.801 -7.233 1.00 0.00 C ATOM 361 CG LYS A 25 -6.728 -4.464 -6.923 1.00 0.00 C ATOM 362 CD LYS A 25 -7.572 -3.972 -8.087 1.00 0.00 C ATOM 363 CE LYS A 25 -8.692 -3.057 -7.615 1.00 0.00 C ATOM 364 NZ LYS A 25 -8.276 -1.628 -7.611 1.00 0.00 N ATOM 0 H LYS A 25 -7.311 -5.845 -4.739 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.614 -7.690 -6.315 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.119 -5.624 -7.721 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.701 -6.344 -7.943 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.352 -4.559 -6.034 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.958 -3.728 -6.694 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.940 -3.439 -8.797 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.996 -4.825 -8.617 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.560 -3.181 -8.263 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.000 -3.348 -6.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.658 -1.158 -6.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.238 -1.569 -7.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.641 -1.158 -8.464 1.00 0.00 H new ATOM 378 N ARG A 26 -3.631 -6.938 -5.060 1.00 0.00 N ATOM 379 CA ARG A 26 -2.447 -6.539 -4.308 1.00 0.00 C ATOM 380 C ARG A 26 -1.426 -5.866 -5.220 1.00 0.00 C ATOM 381 O ARG A 26 -1.086 -6.389 -6.282 1.00 0.00 O ATOM 382 CB ARG A 26 -1.816 -7.755 -3.627 1.00 0.00 C ATOM 383 CG ARG A 26 -0.544 -7.431 -2.861 1.00 0.00 C ATOM 384 CD ARG A 26 0.120 -8.691 -2.326 1.00 0.00 C ATOM 385 NE ARG A 26 1.189 -8.386 -1.379 1.00 0.00 N ATOM 386 CZ ARG A 26 2.134 -9.253 -1.033 1.00 0.00 C ATOM 387 NH1 ARG A 26 2.142 -10.472 -1.554 1.00 0.00 N ATOM 388 NH2 ARG A 26 3.073 -8.901 -0.165 1.00 0.00 N ATOM 0 H ARG A 26 -3.576 -7.870 -5.470 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.755 -5.823 -3.546 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.541 -8.194 -2.942 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.594 -8.509 -4.382 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.150 -6.901 -3.514 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -0.777 -6.761 -2.033 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -0.628 -9.316 -1.839 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.526 -9.268 -3.157 1.00 0.00 H new ATOM 0 HE ARG A 26 1.211 -7.456 -0.960 1.00 0.00 H new ATOM 0 HH11 ARG A 26 1.422 -10.746 -2.222 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.869 -11.136 -1.287 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.070 -7.964 0.238 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.798 -9.568 0.100 1.00 0.00 H new ATOM 402 N HIS A 27 -0.940 -4.703 -4.799 1.00 0.00 N ATOM 403 CA HIS A 27 0.043 -3.958 -5.578 1.00 0.00 C ATOM 404 C HIS A 27 0.855 -3.028 -4.681 1.00 0.00 C ATOM 405 O HIS A 27 0.415 -2.661 -3.591 1.00 0.00 O ATOM 406 CB HIS A 27 -0.651 -3.150 -6.675 1.00 0.00 C ATOM 407 CG HIS A 27 -2.061 -2.773 -6.340 1.00 0.00 C ATOM 408 ND1 HIS A 27 -3.021 -2.525 -7.298 1.00 0.00 N ATOM 409 CD2 HIS A 27 -2.672 -2.604 -5.145 1.00 0.00 C ATOM 410 CE1 HIS A 27 -4.162 -2.217 -6.706 1.00 0.00 C ATOM 411 NE2 HIS A 27 -3.977 -2.259 -5.399 1.00 0.00 N ATOM 0 H HIS A 27 -1.211 -4.256 -3.923 1.00 0.00 H new ATOM 0 HA HIS A 27 0.723 -4.674 -6.040 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -0.077 -2.243 -6.866 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -0.648 -3.729 -7.598 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -2.874 -2.572 -8.306 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.218 -2.719 -4.172 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.088 -1.973 -7.206 1.00 0.00 H new ATOM 420 N TYR A 28 2.041 -2.652 -5.146 1.00 0.00 N ATOM 421 CA TYR A 28 2.915 -1.768 -4.385 1.00 0.00 C ATOM 422 C TYR A 28 2.262 -0.406 -4.173 1.00 0.00 C ATOM 423 O TYR A 28 2.310 0.461 -5.045 1.00 0.00 O ATOM 424 CB TYR A 28 4.254 -1.597 -5.105 1.00 0.00 C ATOM 425 CG TYR A 28 5.417 -1.352 -4.170 1.00 0.00 C ATOM 426 CD1 TYR A 28 5.973 -2.390 -3.434 1.00 0.00 C ATOM 427 CD2 TYR A 28 5.959 -0.081 -4.023 1.00 0.00 C ATOM 428 CE1 TYR A 28 7.035 -2.171 -2.578 1.00 0.00 C ATOM 429 CE2 TYR A 28 7.022 0.148 -3.171 1.00 0.00 C ATOM 430 CZ TYR A 28 7.556 -0.900 -2.450 1.00 0.00 C ATOM 431 OH TYR A 28 8.614 -0.676 -1.600 1.00 0.00 O ATOM 0 H TYR A 28 2.419 -2.946 -6.047 1.00 0.00 H new ATOM 0 HA TYR A 28 3.089 -2.223 -3.410 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.456 -2.490 -5.696 1.00 0.00 H new ATOM 0 HB3 TYR A 28 4.178 -0.763 -5.803 1.00 0.00 H new ATOM 0 HD1 TYR A 28 5.568 -3.386 -3.533 1.00 0.00 H new ATOM 0 HD2 TYR A 28 5.542 0.742 -4.584 1.00 0.00 H new ATOM 0 HE1 TYR A 28 7.455 -2.990 -2.012 1.00 0.00 H new ATOM 0 HE2 TYR A 28 7.433 1.142 -3.070 1.00 0.00 H new ATOM 0 HH TYR A 28 8.387 0.046 -0.978 1.00 0.00 H new ATOM 441 N TRP A 29 1.652 -0.226 -3.007 1.00 0.00 N ATOM 442 CA TRP A 29 0.988 1.031 -2.678 1.00 0.00 C ATOM 443 C TRP A 29 2.009 2.117 -2.356 1.00 0.00 C ATOM 444 O TRP A 29 3.180 1.828 -2.109 1.00 0.00 O ATOM 445 CB TRP A 29 0.041 0.836 -1.493 1.00 0.00 C ATOM 446 CG TRP A 29 -1.352 0.463 -1.901 1.00 0.00 C ATOM 447 CD1 TRP A 29 -1.711 -0.404 -2.893 1.00 0.00 C ATOM 448 CD2 TRP A 29 -2.571 0.947 -1.328 1.00 0.00 C ATOM 449 NE1 TRP A 29 -3.080 -0.487 -2.971 1.00 0.00 N ATOM 450 CE2 TRP A 29 -3.631 0.331 -2.021 1.00 0.00 C ATOM 451 CE3 TRP A 29 -2.871 1.840 -0.295 1.00 0.00 C ATOM 452 CZ2 TRP A 29 -4.966 0.581 -1.715 1.00 0.00 C ATOM 453 CZ3 TRP A 29 -4.196 2.087 0.008 1.00 0.00 C ATOM 454 CH2 TRP A 29 -5.231 1.459 -0.699 1.00 0.00 C ATOM 0 H TRP A 29 1.603 -0.934 -2.274 1.00 0.00 H new ATOM 0 HA TRP A 29 0.411 1.347 -3.547 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.441 0.059 -0.841 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.007 1.756 -0.909 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -1.021 -0.945 -3.523 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -3.602 -1.065 -3.630 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -2.081 2.328 0.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -5.764 0.099 -2.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.439 2.776 0.803 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.257 1.672 -0.437 1.00 0.00 H new ATOM 465 N ARG A 30 1.557 3.367 -2.361 1.00 0.00 N ATOM 466 CA ARG A 30 2.433 4.496 -2.071 1.00 0.00 C ATOM 467 C ARG A 30 1.657 5.627 -1.402 1.00 0.00 C ATOM 468 O ARG A 30 0.645 6.096 -1.927 1.00 0.00 O ATOM 469 CB ARG A 30 3.089 5.004 -3.356 1.00 0.00 C ATOM 470 CG ARG A 30 4.422 4.339 -3.662 1.00 0.00 C ATOM 471 CD ARG A 30 5.357 5.282 -4.403 1.00 0.00 C ATOM 472 NE ARG A 30 6.758 4.905 -4.238 1.00 0.00 N ATOM 473 CZ ARG A 30 7.745 5.403 -4.974 1.00 0.00 C ATOM 474 NH1 ARG A 30 7.486 6.296 -5.920 1.00 0.00 N ATOM 475 NH2 ARG A 30 8.995 5.010 -4.764 1.00 0.00 N ATOM 0 H ARG A 30 0.590 3.623 -2.562 1.00 0.00 H new ATOM 0 HA ARG A 30 3.209 4.155 -1.386 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.409 4.838 -4.192 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.239 6.081 -3.277 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.891 4.016 -2.732 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.255 3.445 -4.262 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.105 5.284 -5.463 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.210 6.299 -4.039 1.00 0.00 H new ATOM 0 HE ARG A 30 6.991 4.222 -3.518 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.527 6.602 -6.084 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.246 6.677 -6.484 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.199 4.325 -4.037 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.752 5.393 -5.330 1.00 0.00 H new ATOM 489 N LEU A 31 2.136 6.062 -0.242 1.00 0.00 N ATOM 490 CA LEU A 31 1.487 7.138 0.499 1.00 0.00 C ATOM 491 C LEU A 31 2.370 8.381 0.538 1.00 0.00 C ATOM 492 O LEU A 31 3.591 8.284 0.664 1.00 0.00 O ATOM 493 CB LEU A 31 1.166 6.682 1.923 1.00 0.00 C ATOM 494 CG LEU A 31 0.994 7.791 2.961 1.00 0.00 C ATOM 495 CD1 LEU A 31 -0.301 8.552 2.719 1.00 0.00 C ATOM 496 CD2 LEU A 31 1.020 7.214 4.369 1.00 0.00 C ATOM 0 H LEU A 31 2.972 5.686 0.206 1.00 0.00 H new ATOM 0 HA LEU A 31 0.558 7.390 -0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.250 6.092 1.896 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.963 6.018 2.259 1.00 0.00 H new ATOM 0 HG LEU A 31 1.826 8.488 2.861 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.407 9.337 3.467 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.280 8.998 1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.145 7.866 2.791 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.896 8.018 5.094 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.209 6.495 4.483 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.974 6.715 4.540 1.00 0.00 H new ATOM 508 N ASP A 32 1.745 9.548 0.432 1.00 0.00 N ATOM 509 CA ASP A 32 2.473 10.811 0.458 1.00 0.00 C ATOM 510 C ASP A 32 1.778 11.820 1.368 1.00 0.00 C ATOM 511 O ASP A 32 0.787 11.499 2.025 1.00 0.00 O ATOM 512 CB ASP A 32 2.598 11.382 -0.955 1.00 0.00 C ATOM 513 CG ASP A 32 3.271 10.418 -1.912 1.00 0.00 C ATOM 514 OD1 ASP A 32 3.844 9.415 -1.437 1.00 0.00 O ATOM 515 OD2 ASP A 32 3.225 10.666 -3.134 1.00 0.00 O ATOM 0 H ASP A 32 0.735 9.646 0.327 1.00 0.00 H new ATOM 0 HA ASP A 32 3.471 10.619 0.853 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.606 11.631 -1.332 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.167 12.311 -0.919 1.00 0.00 H new ATOM 520 N CYS A 33 2.305 13.039 1.402 1.00 0.00 N ATOM 521 CA CYS A 33 1.737 14.094 2.233 1.00 0.00 C ATOM 522 C CYS A 33 0.606 14.812 1.503 1.00 0.00 C ATOM 523 O CYS A 33 0.179 15.893 1.908 1.00 0.00 O ATOM 524 CB CYS A 33 2.821 15.098 2.631 1.00 0.00 C ATOM 525 SG CYS A 33 2.327 16.234 3.948 1.00 0.00 S ATOM 0 H CYS A 33 3.124 13.321 0.864 1.00 0.00 H new ATOM 0 HA CYS A 33 1.330 13.634 3.133 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.708 14.551 2.951 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.104 15.678 1.753 1.00 0.00 H new ATOM 0 HG CYS A 33 1.123 16.667 3.719 1.00 0.00 H new ATOM 531 N LYS A 34 0.127 14.204 0.424 1.00 0.00 N ATOM 532 CA LYS A 34 -0.954 14.783 -0.365 1.00 0.00 C ATOM 533 C LYS A 34 -2.001 13.729 -0.711 1.00 0.00 C ATOM 534 O LYS A 34 -3.197 13.936 -0.504 1.00 0.00 O ATOM 535 CB LYS A 34 -0.400 15.408 -1.647 1.00 0.00 C ATOM 536 CG LYS A 34 0.716 16.409 -1.403 1.00 0.00 C ATOM 537 CD LYS A 34 1.056 17.184 -2.665 1.00 0.00 C ATOM 538 CE LYS A 34 2.474 17.731 -2.618 1.00 0.00 C ATOM 539 NZ LYS A 34 2.655 18.884 -3.543 1.00 0.00 N ATOM 0 H LYS A 34 0.471 13.309 0.075 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.431 15.560 0.233 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.030 14.615 -2.297 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.212 15.904 -2.179 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.418 17.104 -0.618 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.603 15.886 -1.046 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.944 16.535 -3.533 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.352 18.006 -2.789 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.710 18.042 -1.600 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.177 16.941 -2.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.635 19.228 -3.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.455 18.582 -4.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.002 19.649 -3.277 1.00 0.00 H new ATOM 553 N CYS A 35 -1.543 12.598 -1.237 1.00 0.00 N ATOM 554 CA CYS A 35 -2.440 11.511 -1.612 1.00 0.00 C ATOM 555 C CYS A 35 -1.715 10.170 -1.572 1.00 0.00 C ATOM 556 O CYS A 35 -0.498 10.116 -1.393 1.00 0.00 O ATOM 557 CB CYS A 35 -3.013 11.753 -3.009 1.00 0.00 C ATOM 558 SG CYS A 35 -1.760 12.009 -4.287 1.00 0.00 S ATOM 0 H CYS A 35 -0.556 12.410 -1.413 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.258 11.483 -0.892 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.633 10.901 -3.288 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.666 12.625 -2.976 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.642 11.461 -3.914 1.00 0.00 H new ATOM 564 N ILE A 36 -2.470 9.089 -1.738 1.00 0.00 N ATOM 565 CA ILE A 36 -1.899 7.748 -1.720 1.00 0.00 C ATOM 566 C ILE A 36 -1.792 7.177 -3.130 1.00 0.00 C ATOM 567 O ILE A 36 -2.777 6.703 -3.696 1.00 0.00 O ATOM 568 CB ILE A 36 -2.738 6.791 -0.853 1.00 0.00 C ATOM 569 CG1 ILE A 36 -2.688 7.221 0.615 1.00 0.00 C ATOM 570 CG2 ILE A 36 -2.241 5.362 -1.009 1.00 0.00 C ATOM 571 CD1 ILE A 36 -3.942 6.879 1.388 1.00 0.00 C ATOM 0 H ILE A 36 -3.479 9.116 -1.886 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.901 7.835 -1.289 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.774 6.834 -1.189 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.833 6.745 1.096 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.523 8.297 0.664 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.844 4.697 -0.390 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.324 5.060 -2.053 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.199 5.303 -0.696 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.836 7.213 2.420 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.798 7.377 0.932 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.098 5.800 1.370 1.00 0.00 H new ATOM 583 N THR A 37 -0.589 7.225 -3.692 1.00 0.00 N ATOM 584 CA THR A 37 -0.351 6.712 -5.035 1.00 0.00 C ATOM 585 C THR A 37 -0.181 5.197 -5.023 1.00 0.00 C ATOM 586 O THR A 37 0.237 4.617 -4.020 1.00 0.00 O ATOM 587 CB THR A 37 0.898 7.353 -5.669 1.00 0.00 C ATOM 588 OG1 THR A 37 0.951 8.747 -5.344 1.00 0.00 O ATOM 589 CG2 THR A 37 0.887 7.179 -7.180 1.00 0.00 C ATOM 0 H THR A 37 0.237 7.614 -3.237 1.00 0.00 H new ATOM 0 HA THR A 37 -1.225 6.972 -5.632 1.00 0.00 H new ATOM 0 HB THR A 37 1.780 6.853 -5.268 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.499 9.263 -6.044 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.778 7.640 -7.606 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.876 6.117 -7.424 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.001 7.656 -7.595 1.00 0.00 H new ATOM 597 N LEU A 38 -0.505 4.561 -6.144 1.00 0.00 N ATOM 598 CA LEU A 38 -0.387 3.112 -6.263 1.00 0.00 C ATOM 599 C LEU A 38 0.522 2.734 -7.428 1.00 0.00 C ATOM 600 O LEU A 38 0.848 3.570 -8.271 1.00 0.00 O ATOM 601 CB LEU A 38 -1.768 2.482 -6.452 1.00 0.00 C ATOM 602 CG LEU A 38 -2.520 2.116 -5.173 1.00 0.00 C ATOM 603 CD1 LEU A 38 -2.974 3.372 -4.443 1.00 0.00 C ATOM 604 CD2 LEU A 38 -3.710 1.222 -5.490 1.00 0.00 C ATOM 0 H LEU A 38 -0.851 5.026 -6.983 1.00 0.00 H new ATOM 0 HA LEU A 38 0.056 2.731 -5.343 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.385 3.173 -7.027 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.654 1.580 -7.053 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.842 1.566 -4.521 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.508 3.092 -3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.105 3.975 -4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.635 3.949 -5.089 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.233 0.972 -4.567 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.390 1.746 -6.162 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.361 0.307 -5.968 1.00 0.00 H new ATOM 616 N PHE A 39 0.926 1.469 -7.470 1.00 0.00 N ATOM 617 CA PHE A 39 1.796 0.979 -8.533 1.00 0.00 C ATOM 618 C PHE A 39 1.604 -0.520 -8.745 1.00 0.00 C ATOM 619 O PHE A 39 2.027 -1.332 -7.922 1.00 0.00 O ATOM 620 CB PHE A 39 3.259 1.276 -8.200 1.00 0.00 C ATOM 621 CG PHE A 39 3.582 2.742 -8.169 1.00 0.00 C ATOM 622 CD1 PHE A 39 3.157 3.537 -7.116 1.00 0.00 C ATOM 623 CD2 PHE A 39 4.309 3.327 -9.194 1.00 0.00 C ATOM 624 CE1 PHE A 39 3.452 4.887 -7.085 1.00 0.00 C ATOM 625 CE2 PHE A 39 4.607 4.676 -9.167 1.00 0.00 C ATOM 626 CZ PHE A 39 4.177 5.457 -8.112 1.00 0.00 C ATOM 0 H PHE A 39 0.665 0.764 -6.780 1.00 0.00 H new ATOM 0 HA PHE A 39 1.529 1.495 -9.455 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.498 0.839 -7.231 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.897 0.787 -8.936 1.00 0.00 H new ATOM 0 HD1 PHE A 39 2.589 3.096 -6.310 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.646 2.722 -10.023 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.116 5.495 -6.258 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.176 5.120 -9.971 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.408 6.512 -8.091 1.00 0.00 H new ATOM 636 N GLN A 40 0.964 -0.878 -9.854 1.00 0.00 N ATOM 637 CA GLN A 40 0.716 -2.279 -10.173 1.00 0.00 C ATOM 638 C GLN A 40 1.850 -3.162 -9.665 1.00 0.00 C ATOM 639 O GLN A 40 1.621 -4.119 -8.926 1.00 0.00 O ATOM 640 CB GLN A 40 0.551 -2.458 -11.683 1.00 0.00 C ATOM 641 CG GLN A 40 0.452 -3.911 -12.116 1.00 0.00 C ATOM 642 CD GLN A 40 -0.396 -4.093 -13.360 1.00 0.00 C ATOM 643 OE1 GLN A 40 -1.625 -4.079 -13.295 1.00 0.00 O ATOM 644 NE2 GLN A 40 0.259 -4.264 -14.503 1.00 0.00 N ATOM 0 H GLN A 40 0.608 -0.218 -10.546 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.205 -2.581 -9.675 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.345 -1.929 -12.007 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.397 -1.993 -12.190 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.453 -4.299 -12.303 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.029 -4.500 -11.303 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.279 -4.269 -14.511 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.258 -4.391 -15.373 1.00 0.00 H new ATOM 653 N ASN A 41 3.074 -2.835 -10.067 1.00 0.00 N ATOM 654 CA ASN A 41 4.245 -3.600 -9.653 1.00 0.00 C ATOM 655 C ASN A 41 5.291 -2.691 -9.015 1.00 0.00 C ATOM 656 O ASN A 41 5.055 -1.501 -8.816 1.00 0.00 O ATOM 657 CB ASN A 41 4.851 -4.333 -10.851 1.00 0.00 C ATOM 658 CG ASN A 41 3.797 -4.982 -11.727 1.00 0.00 C ATOM 659 OD1 ASN A 41 2.948 -5.731 -11.243 1.00 0.00 O ATOM 660 ND2 ASN A 41 3.846 -4.697 -13.023 1.00 0.00 N ATOM 0 H ASN A 41 3.281 -2.046 -10.679 1.00 0.00 H new ATOM 0 HA ASN A 41 3.926 -4.333 -8.912 1.00 0.00 H new ATOM 0 HB2 ASN A 41 5.432 -3.630 -11.447 1.00 0.00 H new ATOM 0 HB3 ASN A 41 5.543 -5.096 -10.494 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.162 -5.104 -13.661 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.567 -4.071 -13.381 1.00 0.00 H new ATOM 667 N ASN A 42 6.449 -3.262 -8.698 1.00 0.00 N ATOM 668 CA ASN A 42 7.532 -2.504 -8.083 1.00 0.00 C ATOM 669 C ASN A 42 8.484 -1.959 -9.142 1.00 0.00 C ATOM 670 O ASN A 42 9.027 -0.863 -9.001 1.00 0.00 O ATOM 671 CB ASN A 42 8.300 -3.383 -7.094 1.00 0.00 C ATOM 672 CG ASN A 42 9.273 -4.318 -7.786 1.00 0.00 C ATOM 673 OD1 ASN A 42 10.458 -4.011 -7.919 1.00 0.00 O ATOM 674 ND2 ASN A 42 8.775 -5.465 -8.231 1.00 0.00 N ATOM 0 H ASN A 42 6.661 -4.247 -8.857 1.00 0.00 H new ATOM 0 HA ASN A 42 7.094 -1.662 -7.546 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.845 -2.748 -6.395 1.00 0.00 H new ATOM 0 HB3 ASN A 42 7.592 -3.969 -6.507 1.00 0.00 H new ATOM 0 HD21 ASN A 42 9.381 -6.134 -8.706 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.786 -5.677 -8.098 1.00 0.00 H new ATOM 681 N THR A 43 8.683 -2.732 -10.206 1.00 0.00 N ATOM 682 CA THR A 43 9.569 -2.328 -11.290 1.00 0.00 C ATOM 683 C THR A 43 8.902 -1.294 -12.190 1.00 0.00 C ATOM 684 O THR A 43 9.575 -0.543 -12.897 1.00 0.00 O ATOM 685 CB THR A 43 9.999 -3.535 -12.144 1.00 0.00 C ATOM 686 OG1 THR A 43 11.050 -3.154 -13.038 1.00 0.00 O ATOM 687 CG2 THR A 43 8.823 -4.080 -12.940 1.00 0.00 C ATOM 0 H THR A 43 8.242 -3.642 -10.339 1.00 0.00 H new ATOM 0 HA THR A 43 10.452 -1.887 -10.828 1.00 0.00 H new ATOM 0 HB THR A 43 10.358 -4.316 -11.474 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.318 -3.928 -13.576 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.150 -4.932 -13.536 1.00 0.00 H new ATOM 0 HG22 THR A 43 8.036 -4.397 -12.256 1.00 0.00 H new ATOM 0 HG23 THR A 43 8.439 -3.302 -13.600 1.00 0.00 H new ATOM 695 N THR A 44 7.573 -1.260 -12.159 1.00 0.00 N ATOM 696 CA THR A 44 6.815 -0.318 -12.973 1.00 0.00 C ATOM 697 C THR A 44 7.309 1.109 -12.767 1.00 0.00 C ATOM 698 O THR A 44 7.954 1.414 -11.765 1.00 0.00 O ATOM 699 CB THR A 44 5.310 -0.381 -12.649 1.00 0.00 C ATOM 700 OG1 THR A 44 4.576 0.434 -13.569 1.00 0.00 O ATOM 701 CG2 THR A 44 5.044 0.087 -11.226 1.00 0.00 C ATOM 0 H THR A 44 7.000 -1.873 -11.579 1.00 0.00 H new ATOM 0 HA THR A 44 6.968 -0.605 -14.013 1.00 0.00 H new ATOM 0 HB THR A 44 4.984 -1.417 -12.742 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.620 0.387 -13.357 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.975 0.034 -11.019 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.581 -0.553 -10.526 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.385 1.116 -11.112 1.00 0.00 H new ATOM 709 N ASN A 45 7.000 1.981 -13.722 1.00 0.00 N ATOM 710 CA ASN A 45 7.413 3.377 -13.644 1.00 0.00 C ATOM 711 C ASN A 45 6.218 4.283 -13.363 1.00 0.00 C ATOM 712 O ASN A 45 6.187 4.994 -12.358 1.00 0.00 O ATOM 713 CB ASN A 45 8.094 3.803 -14.946 1.00 0.00 C ATOM 714 CG ASN A 45 9.551 3.385 -14.999 1.00 0.00 C ATOM 715 OD1 ASN A 45 10.414 4.022 -14.394 1.00 0.00 O ATOM 716 ND2 ASN A 45 9.833 2.310 -15.725 1.00 0.00 N ATOM 0 H ASN A 45 6.465 1.745 -14.558 1.00 0.00 H new ATOM 0 HA ASN A 45 8.122 3.474 -12.822 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.562 3.366 -15.791 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.025 4.886 -15.052 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.796 1.982 -15.798 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.087 1.812 -16.210 1.00 0.00 H new ATOM 723 N ARG A 46 5.236 4.252 -14.258 1.00 0.00 N ATOM 724 CA ARG A 46 4.038 5.071 -14.108 1.00 0.00 C ATOM 725 C ARG A 46 3.130 4.510 -13.017 1.00 0.00 C ATOM 726 O ARG A 46 3.062 3.297 -12.815 1.00 0.00 O ATOM 727 CB ARG A 46 3.277 5.146 -15.432 1.00 0.00 C ATOM 728 CG ARG A 46 3.917 6.075 -16.451 1.00 0.00 C ATOM 729 CD ARG A 46 3.571 7.529 -16.174 1.00 0.00 C ATOM 730 NE ARG A 46 3.989 8.408 -17.263 1.00 0.00 N ATOM 731 CZ ARG A 46 3.531 9.644 -17.428 1.00 0.00 C ATOM 732 NH1 ARG A 46 2.645 10.145 -16.577 1.00 0.00 N ATOM 733 NH2 ARG A 46 3.959 10.382 -18.443 1.00 0.00 N ATOM 0 H ARG A 46 5.246 3.669 -15.095 1.00 0.00 H new ATOM 0 HA ARG A 46 4.348 6.075 -13.818 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.208 4.145 -15.859 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.258 5.481 -15.237 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.999 5.947 -16.432 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.582 5.805 -17.452 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.495 7.624 -16.024 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.051 7.846 -15.248 1.00 0.00 H new ATOM 0 HE ARG A 46 4.670 8.053 -17.934 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.314 9.581 -15.794 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.295 11.094 -16.706 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.641 10.001 -19.099 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.606 11.331 -18.568 1.00 0.00 H new ATOM 747 N TYR A 47 2.435 5.400 -12.318 1.00 0.00 N ATOM 748 CA TYR A 47 1.533 4.994 -11.246 1.00 0.00 C ATOM 749 C TYR A 47 0.286 4.320 -11.810 1.00 0.00 C ATOM 750 O TYR A 47 -0.120 4.586 -12.941 1.00 0.00 O ATOM 751 CB TYR A 47 1.134 6.205 -10.401 1.00 0.00 C ATOM 752 CG TYR A 47 -0.011 7.001 -10.987 1.00 0.00 C ATOM 753 CD1 TYR A 47 0.078 7.549 -12.261 1.00 0.00 C ATOM 754 CD2 TYR A 47 -1.181 7.206 -10.266 1.00 0.00 C ATOM 755 CE1 TYR A 47 -0.964 8.277 -12.799 1.00 0.00 C ATOM 756 CE2 TYR A 47 -2.229 7.931 -10.798 1.00 0.00 C ATOM 757 CZ TYR A 47 -2.116 8.465 -12.064 1.00 0.00 C ATOM 758 OH TYR A 47 -3.158 9.190 -12.597 1.00 0.00 O ATOM 0 H TYR A 47 2.479 6.407 -12.474 1.00 0.00 H new ATOM 0 HA TYR A 47 2.058 4.277 -10.615 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.856 5.866 -9.403 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.999 6.859 -10.286 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.978 7.403 -12.840 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.272 6.791 -9.273 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.878 8.697 -13.790 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.133 8.079 -10.225 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.894 9.227 -11.951 1.00 0.00 H new ATOM 768 N TYR A 48 -0.317 3.445 -11.012 1.00 0.00 N ATOM 769 CA TYR A 48 -1.517 2.730 -11.430 1.00 0.00 C ATOM 770 C TYR A 48 -2.775 3.475 -10.994 1.00 0.00 C ATOM 771 O TYR A 48 -3.719 3.630 -11.769 1.00 0.00 O ATOM 772 CB TYR A 48 -1.521 1.315 -10.849 1.00 0.00 C ATOM 773 CG TYR A 48 -2.844 0.600 -11.006 1.00 0.00 C ATOM 774 CD1 TYR A 48 -3.133 -0.121 -12.158 1.00 0.00 C ATOM 775 CD2 TYR A 48 -3.805 0.647 -10.004 1.00 0.00 C ATOM 776 CE1 TYR A 48 -4.341 -0.775 -12.307 1.00 0.00 C ATOM 777 CE2 TYR A 48 -5.015 -0.006 -10.144 1.00 0.00 C ATOM 778 CZ TYR A 48 -5.278 -0.716 -11.297 1.00 0.00 C ATOM 779 OH TYR A 48 -6.482 -1.366 -11.441 1.00 0.00 O ATOM 0 H TYR A 48 0.006 3.214 -10.072 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.512 2.669 -12.518 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -0.741 0.729 -11.335 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.268 1.365 -9.790 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.401 -0.171 -12.950 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -3.603 1.203 -9.100 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.550 -1.330 -13.210 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.751 0.039 -9.355 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.028 -1.225 -10.639 1.00 0.00 H new ATOM 789 N LYS A 49 -2.779 3.936 -9.748 1.00 0.00 N ATOM 790 CA LYS A 49 -3.919 4.667 -9.206 1.00 0.00 C ATOM 791 C LYS A 49 -3.474 5.637 -8.115 1.00 0.00 C ATOM 792 O LYS A 49 -2.538 5.356 -7.368 1.00 0.00 O ATOM 793 CB LYS A 49 -4.957 3.692 -8.645 1.00 0.00 C ATOM 794 CG LYS A 49 -5.753 4.255 -7.481 1.00 0.00 C ATOM 795 CD LYS A 49 -7.163 3.692 -7.445 1.00 0.00 C ATOM 796 CE LYS A 49 -7.155 2.171 -7.401 1.00 0.00 C ATOM 797 NZ LYS A 49 -8.445 1.596 -7.872 1.00 0.00 N ATOM 0 H LYS A 49 -2.005 3.816 -9.094 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.370 5.240 -10.016 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.645 3.409 -9.442 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.451 2.782 -8.322 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.244 4.024 -6.545 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.796 5.341 -7.560 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.688 4.080 -6.572 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.713 4.029 -8.324 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.341 1.794 -8.021 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.960 1.838 -6.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.745 0.840 -7.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.170 2.341 -7.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.322 1.204 -8.827 1.00 0.00 H new ATOM 811 N GLU A 50 -4.154 6.776 -8.030 1.00 0.00 N ATOM 812 CA GLU A 50 -3.828 7.786 -7.029 1.00 0.00 C ATOM 813 C GLU A 50 -5.059 8.153 -6.207 1.00 0.00 C ATOM 814 O GLU A 50 -5.963 8.834 -6.693 1.00 0.00 O ATOM 815 CB GLU A 50 -3.258 9.036 -7.701 1.00 0.00 C ATOM 816 CG GLU A 50 -2.726 10.066 -6.719 1.00 0.00 C ATOM 817 CD GLU A 50 -1.581 10.881 -7.290 1.00 0.00 C ATOM 818 OE1 GLU A 50 -0.643 10.274 -7.849 1.00 0.00 O ATOM 819 OE2 GLU A 50 -1.623 12.123 -7.178 1.00 0.00 O ATOM 0 H GLU A 50 -4.933 7.023 -8.641 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.076 7.368 -6.359 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.455 8.741 -8.376 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.035 9.496 -8.312 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.535 10.737 -6.428 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.391 9.560 -5.814 1.00 0.00 H new ATOM 826 N ILE A 51 -5.087 7.698 -4.959 1.00 0.00 N ATOM 827 CA ILE A 51 -6.207 7.979 -4.069 1.00 0.00 C ATOM 828 C ILE A 51 -5.961 9.248 -3.260 1.00 0.00 C ATOM 829 O ILE A 51 -5.159 9.273 -2.326 1.00 0.00 O ATOM 830 CB ILE A 51 -6.464 6.809 -3.101 1.00 0.00 C ATOM 831 CG1 ILE A 51 -6.693 5.514 -3.882 1.00 0.00 C ATOM 832 CG2 ILE A 51 -7.658 7.113 -2.208 1.00 0.00 C ATOM 833 CD1 ILE A 51 -6.454 4.264 -3.063 1.00 0.00 C ATOM 0 H ILE A 51 -4.347 7.133 -4.541 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.085 8.117 -4.700 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.585 6.680 -2.469 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.716 5.502 -4.258 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.034 5.501 -4.750 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.827 6.277 -1.529 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.459 8.015 -1.630 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.544 7.265 -2.824 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.635 3.384 -3.681 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.423 4.253 -2.709 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.131 4.253 -2.209 1.00 0.00 H new ATOM 845 N PRO A 52 -6.667 10.329 -3.624 1.00 0.00 N ATOM 846 CA PRO A 52 -6.545 11.621 -2.944 1.00 0.00 C ATOM 847 C PRO A 52 -7.129 11.593 -1.536 1.00 0.00 C ATOM 848 O PRO A 52 -8.294 11.242 -1.343 1.00 0.00 O ATOM 849 CB PRO A 52 -7.348 12.570 -3.838 1.00 0.00 C ATOM 850 CG PRO A 52 -8.331 11.693 -4.534 1.00 0.00 C ATOM 851 CD PRO A 52 -7.641 10.371 -4.728 1.00 0.00 C ATOM 0 HA PRO A 52 -5.504 11.916 -2.813 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -7.850 13.338 -3.250 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.703 13.084 -4.550 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.238 11.576 -3.941 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.628 12.122 -5.491 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -8.344 9.539 -4.676 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.150 10.313 -5.699 1.00 0.00 H new ATOM 859 N LEU A 53 -6.314 11.965 -0.555 1.00 0.00 N ATOM 860 CA LEU A 53 -6.751 11.983 0.837 1.00 0.00 C ATOM 861 C LEU A 53 -8.056 12.759 0.988 1.00 0.00 C ATOM 862 O LEU A 53 -8.776 12.596 1.973 1.00 0.00 O ATOM 863 CB LEU A 53 -5.670 12.604 1.723 1.00 0.00 C ATOM 864 CG LEU A 53 -4.392 11.782 1.897 1.00 0.00 C ATOM 865 CD1 LEU A 53 -3.318 12.606 2.591 1.00 0.00 C ATOM 866 CD2 LEU A 53 -4.678 10.509 2.680 1.00 0.00 C ATOM 0 H LEU A 53 -5.347 12.258 -0.697 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.923 10.954 1.152 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.400 13.575 1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.097 12.788 2.709 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.026 11.502 0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.416 12.005 2.706 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.092 13.488 1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.675 12.916 3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.757 9.937 2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.069 10.767 3.664 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.413 9.909 2.144 1.00 0.00 H new ATOM 878 N SER A 54 -8.354 13.602 0.005 1.00 0.00 N ATOM 879 CA SER A 54 -9.572 14.405 0.030 1.00 0.00 C ATOM 880 C SER A 54 -10.805 13.526 -0.153 1.00 0.00 C ATOM 881 O SER A 54 -11.806 13.691 0.544 1.00 0.00 O ATOM 882 CB SER A 54 -9.526 15.473 -1.065 1.00 0.00 C ATOM 883 OG SER A 54 -10.776 16.127 -1.191 1.00 0.00 O ATOM 0 H SER A 54 -7.770 13.747 -0.818 1.00 0.00 H new ATOM 0 HA SER A 54 -9.636 14.894 1.002 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.751 16.204 -0.832 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.255 15.013 -2.015 1.00 0.00 H new ATOM 0 HG SER A 54 -10.721 16.806 -1.896 1.00 0.00 H new ATOM 889 N GLU A 55 -10.724 12.592 -1.096 1.00 0.00 N ATOM 890 CA GLU A 55 -11.835 11.687 -1.371 1.00 0.00 C ATOM 891 C GLU A 55 -12.229 10.912 -0.117 1.00 0.00 C ATOM 892 O GLU A 55 -13.413 10.712 0.156 1.00 0.00 O ATOM 893 CB GLU A 55 -11.462 10.713 -2.490 1.00 0.00 C ATOM 894 CG GLU A 55 -11.829 11.211 -3.878 1.00 0.00 C ATOM 895 CD GLU A 55 -11.537 12.688 -4.064 1.00 0.00 C ATOM 896 OE1 GLU A 55 -12.253 13.514 -3.460 1.00 0.00 O ATOM 897 OE2 GLU A 55 -10.593 13.016 -4.812 1.00 0.00 O ATOM 0 H GLU A 55 -9.902 12.442 -1.681 1.00 0.00 H new ATOM 0 HA GLU A 55 -12.688 12.286 -1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.389 10.524 -2.453 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.960 9.760 -2.312 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.277 10.639 -4.623 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -12.889 11.029 -4.057 1.00 0.00 H new ATOM 904 N ILE A 56 -11.228 10.477 0.641 1.00 0.00 N ATOM 905 CA ILE A 56 -11.469 9.725 1.866 1.00 0.00 C ATOM 906 C ILE A 56 -12.393 10.489 2.808 1.00 0.00 C ATOM 907 O ILE A 56 -12.195 11.678 3.060 1.00 0.00 O ATOM 908 CB ILE A 56 -10.153 9.408 2.601 1.00 0.00 C ATOM 909 CG1 ILE A 56 -9.243 8.552 1.717 1.00 0.00 C ATOM 910 CG2 ILE A 56 -10.439 8.700 3.917 1.00 0.00 C ATOM 911 CD1 ILE A 56 -7.862 8.343 2.295 1.00 0.00 C ATOM 0 H ILE A 56 -10.243 10.632 0.428 1.00 0.00 H new ATOM 0 HA ILE A 56 -11.946 8.790 1.573 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.641 10.345 2.818 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -9.713 7.581 1.559 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.151 9.025 0.739 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -9.499 8.483 4.425 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -11.053 9.341 4.549 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -10.970 7.768 3.721 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -7.272 7.728 1.615 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.373 9.308 2.427 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -7.943 7.842 3.260 1.00 0.00 H new ATOM 923 N LEU A 57 -13.402 9.799 3.328 1.00 0.00 N ATOM 924 CA LEU A 57 -14.356 10.412 4.245 1.00 0.00 C ATOM 925 C LEU A 57 -13.999 10.096 5.694 1.00 0.00 C ATOM 926 O LEU A 57 -14.007 10.978 6.553 1.00 0.00 O ATOM 927 CB LEU A 57 -15.773 9.923 3.939 1.00 0.00 C ATOM 928 CG LEU A 57 -16.228 10.051 2.485 1.00 0.00 C ATOM 929 CD1 LEU A 57 -17.567 9.359 2.282 1.00 0.00 C ATOM 930 CD2 LEU A 57 -16.316 11.515 2.081 1.00 0.00 C ATOM 0 H LEU A 57 -13.581 8.814 3.130 1.00 0.00 H new ATOM 0 HA LEU A 57 -14.313 11.492 4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -15.845 8.875 4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -16.471 10.477 4.567 1.00 0.00 H new ATOM 0 HG LEU A 57 -15.490 9.563 1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -17.875 9.460 1.241 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -17.472 8.302 2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -18.315 9.818 2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -16.641 11.587 1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -17.033 12.027 2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -15.337 11.981 2.187 1.00 0.00 H new ATOM 942 N THR A 58 -13.683 8.832 5.959 1.00 0.00 N ATOM 943 CA THR A 58 -13.322 8.400 7.303 1.00 0.00 C ATOM 944 C THR A 58 -12.523 7.102 7.267 1.00 0.00 C ATOM 945 O THR A 58 -12.606 6.336 6.307 1.00 0.00 O ATOM 946 CB THR A 58 -14.570 8.197 8.182 1.00 0.00 C ATOM 947 OG1 THR A 58 -15.143 9.466 8.519 1.00 0.00 O ATOM 948 CG2 THR A 58 -14.218 7.441 9.455 1.00 0.00 C ATOM 0 H THR A 58 -13.670 8.089 5.260 1.00 0.00 H new ATOM 0 HA THR A 58 -12.707 9.190 7.735 1.00 0.00 H new ATOM 0 HB THR A 58 -15.294 7.610 7.617 1.00 0.00 H new ATOM 0 HG1 THR A 58 -14.753 10.162 7.951 1.00 0.00 H new ATOM 0 HG21 THR A 58 -15.115 7.310 10.060 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.808 6.465 9.197 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.478 8.007 10.021 1.00 0.00 H new ATOM 956 N VAL A 59 -11.748 6.860 8.320 1.00 0.00 N ATOM 957 CA VAL A 59 -10.935 5.653 8.409 1.00 0.00 C ATOM 958 C VAL A 59 -11.305 4.831 9.639 1.00 0.00 C ATOM 959 O VAL A 59 -11.256 5.325 10.765 1.00 0.00 O ATOM 960 CB VAL A 59 -9.434 5.991 8.464 1.00 0.00 C ATOM 961 CG1 VAL A 59 -8.610 4.731 8.684 1.00 0.00 C ATOM 962 CG2 VAL A 59 -9.002 6.704 7.192 1.00 0.00 C ATOM 0 H VAL A 59 -11.666 7.484 9.123 1.00 0.00 H new ATOM 0 HA VAL A 59 -11.136 5.069 7.511 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.261 6.661 9.306 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.552 4.990 8.720 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.902 4.265 9.625 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.785 4.034 7.865 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -7.938 6.935 7.248 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -9.189 6.060 6.333 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.569 7.628 7.083 1.00 0.00 H new ATOM 972 N GLU A 60 -11.675 3.574 9.415 1.00 0.00 N ATOM 973 CA GLU A 60 -12.054 2.684 10.505 1.00 0.00 C ATOM 974 C GLU A 60 -11.258 1.383 10.447 1.00 0.00 C ATOM 975 O GLU A 60 -10.542 1.124 9.480 1.00 0.00 O ATOM 976 CB GLU A 60 -13.552 2.381 10.449 1.00 0.00 C ATOM 977 CG GLU A 60 -14.419 3.621 10.308 1.00 0.00 C ATOM 978 CD GLU A 60 -15.782 3.457 10.953 1.00 0.00 C ATOM 979 OE1 GLU A 60 -16.691 2.913 10.292 1.00 0.00 O ATOM 980 OE2 GLU A 60 -15.938 3.872 12.121 1.00 0.00 O ATOM 0 H GLU A 60 -11.720 3.150 8.489 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.828 3.187 11.445 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.748 1.714 9.610 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -13.840 1.847 11.355 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.907 4.471 10.760 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.547 3.852 9.250 1.00 0.00 H new ATOM 987 N SER A 61 -11.389 0.569 11.490 1.00 0.00 N ATOM 988 CA SER A 61 -10.679 -0.703 11.560 1.00 0.00 C ATOM 989 C SER A 61 -11.596 -1.859 11.170 1.00 0.00 C ATOM 990 O SER A 61 -12.792 -1.841 11.457 1.00 0.00 O ATOM 991 CB SER A 61 -10.130 -0.927 12.970 1.00 0.00 C ATOM 992 OG SER A 61 -9.391 0.198 13.414 1.00 0.00 O ATOM 0 H SER A 61 -11.980 0.768 12.297 1.00 0.00 H new ATOM 0 HA SER A 61 -9.848 -0.667 10.855 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.953 -1.120 13.658 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.493 -1.811 12.979 1.00 0.00 H new ATOM 0 HG SER A 61 -9.052 0.031 14.318 1.00 0.00 H new ATOM 998 N ALA A 62 -11.024 -2.862 10.512 1.00 0.00 N ATOM 999 CA ALA A 62 -11.788 -4.028 10.084 1.00 0.00 C ATOM 1000 C ALA A 62 -12.843 -4.403 11.118 1.00 0.00 C ATOM 1001 O ALA A 62 -12.515 -4.790 12.240 1.00 0.00 O ATOM 1002 CB ALA A 62 -10.857 -5.203 9.826 1.00 0.00 C ATOM 0 H ALA A 62 -10.035 -2.891 10.264 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.301 -3.775 9.156 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.441 -6.067 9.507 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.145 -4.938 9.045 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.318 -5.448 10.741 1.00 0.00 H new ATOM 1008 N GLN A 63 -14.110 -4.286 10.734 1.00 0.00 N ATOM 1009 CA GLN A 63 -15.213 -4.613 11.630 1.00 0.00 C ATOM 1010 C GLN A 63 -16.271 -5.443 10.911 1.00 0.00 C ATOM 1011 O GLN A 63 -16.934 -6.283 11.519 1.00 0.00 O ATOM 1012 CB GLN A 63 -15.842 -3.334 12.185 1.00 0.00 C ATOM 1013 CG GLN A 63 -16.017 -2.240 11.144 1.00 0.00 C ATOM 1014 CD GLN A 63 -17.252 -1.395 11.387 1.00 0.00 C ATOM 1015 OE1 GLN A 63 -17.911 -1.521 12.420 1.00 0.00 O ATOM 1016 NE2 GLN A 63 -17.572 -0.527 10.435 1.00 0.00 N ATOM 0 H GLN A 63 -14.398 -3.967 9.809 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.815 -5.202 12.456 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -16.815 -3.574 12.614 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -15.220 -2.956 12.996 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -15.136 -1.598 11.146 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -16.080 -2.692 10.154 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -16.997 -0.456 9.595 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -18.393 0.069 10.543 1.00 0.00 H new ATOM 1025 N ASN A 64 -16.424 -5.203 9.612 1.00 0.00 N ATOM 1026 CA ASN A 64 -17.402 -5.928 8.811 1.00 0.00 C ATOM 1027 C ASN A 64 -16.711 -6.794 7.761 1.00 0.00 C ATOM 1028 O ASN A 64 -15.909 -6.304 6.967 1.00 0.00 O ATOM 1029 CB ASN A 64 -18.361 -4.949 8.129 1.00 0.00 C ATOM 1030 CG ASN A 64 -19.495 -5.656 7.413 1.00 0.00 C ATOM 1031 OD1 ASN A 64 -20.389 -6.218 8.045 1.00 0.00 O ATOM 1032 ND2 ASN A 64 -19.464 -5.630 6.085 1.00 0.00 N ATOM 0 H ASN A 64 -15.883 -4.512 9.093 1.00 0.00 H new ATOM 0 HA ASN A 64 -17.969 -6.578 9.477 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -18.773 -4.269 8.875 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -17.807 -4.340 7.414 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -20.201 -6.088 5.549 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -18.703 -5.152 5.602 1.00 0.00 H new ATOM 1039 N PHE A 65 -17.029 -8.085 7.765 1.00 0.00 N ATOM 1040 CA PHE A 65 -16.438 -9.019 6.814 1.00 0.00 C ATOM 1041 C PHE A 65 -17.518 -9.856 6.133 1.00 0.00 C ATOM 1042 O PHE A 65 -17.287 -11.010 5.771 1.00 0.00 O ATOM 1043 CB PHE A 65 -15.437 -9.935 7.521 1.00 0.00 C ATOM 1044 CG PHE A 65 -14.599 -9.228 8.547 1.00 0.00 C ATOM 1045 CD1 PHE A 65 -15.111 -8.942 9.802 1.00 0.00 C ATOM 1046 CD2 PHE A 65 -13.298 -8.850 8.256 1.00 0.00 C ATOM 1047 CE1 PHE A 65 -14.341 -8.290 10.747 1.00 0.00 C ATOM 1048 CE2 PHE A 65 -12.523 -8.198 9.198 1.00 0.00 C ATOM 1049 CZ PHE A 65 -13.046 -7.919 10.445 1.00 0.00 C ATOM 0 H PHE A 65 -17.692 -8.507 8.415 1.00 0.00 H new ATOM 0 HA PHE A 65 -15.915 -8.441 6.052 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -15.979 -10.748 8.004 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -14.781 -10.387 6.777 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -16.123 -9.232 10.045 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -12.884 -9.067 7.282 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -14.752 -8.071 11.721 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.511 -7.908 8.959 1.00 0.00 H new ATOM 0 HZ PHE A 65 -12.443 -7.411 11.183 1.00 0.00 H new ATOM 1059 N SER A 66 -18.696 -9.266 5.963 1.00 0.00 N ATOM 1060 CA SER A 66 -19.813 -9.958 5.330 1.00 0.00 C ATOM 1061 C SER A 66 -19.521 -10.227 3.857 1.00 0.00 C ATOM 1062 O SER A 66 -20.014 -11.198 3.282 1.00 0.00 O ATOM 1063 CB SER A 66 -21.094 -9.132 5.465 1.00 0.00 C ATOM 1064 OG SER A 66 -22.108 -9.620 4.604 1.00 0.00 O ATOM 0 H SER A 66 -18.902 -8.311 6.254 1.00 0.00 H new ATOM 0 HA SER A 66 -19.950 -10.914 5.836 1.00 0.00 H new ATOM 0 HB2 SER A 66 -21.443 -9.162 6.497 1.00 0.00 H new ATOM 0 HB3 SER A 66 -20.884 -8.088 5.230 1.00 0.00 H new ATOM 0 HG SER A 66 -22.917 -9.077 4.710 1.00 0.00 H new ATOM 1070 N LEU A 67 -18.715 -9.361 3.253 1.00 0.00 N ATOM 1071 CA LEU A 67 -18.355 -9.504 1.846 1.00 0.00 C ATOM 1072 C LEU A 67 -17.576 -10.794 1.612 1.00 0.00 C ATOM 1073 O LEU A 67 -18.086 -11.740 1.011 1.00 0.00 O ATOM 1074 CB LEU A 67 -17.526 -8.303 1.387 1.00 0.00 C ATOM 1075 CG LEU A 67 -18.155 -6.928 1.613 1.00 0.00 C ATOM 1076 CD1 LEU A 67 -17.118 -5.831 1.427 1.00 0.00 C ATOM 1077 CD2 LEU A 67 -19.332 -6.718 0.672 1.00 0.00 C ATOM 0 H LEU A 67 -18.298 -8.553 3.715 1.00 0.00 H new ATOM 0 HA LEU A 67 -19.275 -9.546 1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -16.566 -8.331 1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -17.319 -8.415 0.323 1.00 0.00 H new ATOM 0 HG LEU A 67 -18.524 -6.882 2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -17.583 -4.859 1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -16.308 -5.971 2.142 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -16.719 -5.875 0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -19.767 -5.734 0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -18.989 -6.784 -0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -20.085 -7.485 0.854 1.00 0.00 H new ATOM 1089 N VAL A 68 -16.337 -10.827 2.093 1.00 0.00 N ATOM 1090 CA VAL A 68 -15.488 -12.002 1.939 1.00 0.00 C ATOM 1091 C VAL A 68 -15.837 -13.071 2.968 1.00 0.00 C ATOM 1092 O VAL A 68 -16.305 -12.779 4.069 1.00 0.00 O ATOM 1093 CB VAL A 68 -13.998 -11.639 2.077 1.00 0.00 C ATOM 1094 CG1 VAL A 68 -13.562 -10.727 0.940 1.00 0.00 C ATOM 1095 CG2 VAL A 68 -13.731 -10.989 3.426 1.00 0.00 C ATOM 0 H VAL A 68 -15.899 -10.053 2.593 1.00 0.00 H new ATOM 0 HA VAL A 68 -15.668 -12.394 0.938 1.00 0.00 H new ATOM 0 HB VAL A 68 -13.412 -12.556 2.019 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -12.506 -10.481 1.055 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -13.715 -11.234 -0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -14.152 -9.811 0.962 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -12.673 -10.739 3.506 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -14.326 -10.080 3.516 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -14.002 -11.681 4.223 1.00 0.00 H new ATOM 1105 N PRO A 69 -15.605 -14.341 2.604 1.00 0.00 N ATOM 1106 CA PRO A 69 -15.887 -15.480 3.483 1.00 0.00 C ATOM 1107 C PRO A 69 -14.936 -15.544 4.672 1.00 0.00 C ATOM 1108 O PRO A 69 -13.947 -14.814 4.747 1.00 0.00 O ATOM 1109 CB PRO A 69 -15.683 -16.691 2.569 1.00 0.00 C ATOM 1110 CG PRO A 69 -14.739 -16.219 1.518 1.00 0.00 C ATOM 1111 CD PRO A 69 -15.049 -14.763 1.307 1.00 0.00 C ATOM 0 HA PRO A 69 -16.884 -15.421 3.920 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -15.272 -17.537 3.119 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -16.626 -17.022 2.134 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -13.704 -16.356 1.833 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -14.869 -16.784 0.595 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -14.155 -14.195 1.049 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -15.764 -14.618 0.497 1.00 0.00 H new ATOM 1119 N PRO A 70 -15.238 -16.438 5.626 1.00 0.00 N ATOM 1120 CA PRO A 70 -14.421 -16.619 6.829 1.00 0.00 C ATOM 1121 C PRO A 70 -13.070 -17.257 6.522 1.00 0.00 C ATOM 1122 O PRO A 70 -12.159 -17.231 7.348 1.00 0.00 O ATOM 1123 CB PRO A 70 -15.269 -17.552 7.697 1.00 0.00 C ATOM 1124 CG PRO A 70 -16.123 -18.296 6.729 1.00 0.00 C ATOM 1125 CD PRO A 70 -16.401 -17.341 5.602 1.00 0.00 C ATOM 0 HA PRO A 70 -14.184 -15.669 7.307 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -14.644 -18.231 8.277 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -15.874 -16.990 8.409 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -15.615 -19.189 6.367 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -17.050 -18.625 7.199 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -16.487 -17.860 4.647 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -17.334 -16.799 5.755 1.00 0.00 H new ATOM 1133 N GLY A 71 -12.949 -17.830 5.329 1.00 0.00 N ATOM 1134 CA GLY A 71 -11.706 -18.466 4.934 1.00 0.00 C ATOM 1135 C GLY A 71 -10.795 -17.531 4.164 1.00 0.00 C ATOM 1136 O GLY A 71 -9.610 -17.814 3.985 1.00 0.00 O ATOM 0 H GLY A 71 -13.690 -17.865 4.629 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -11.186 -18.824 5.823 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -11.927 -19.339 4.321 1.00 0.00 H new ATOM 1140 N THR A 72 -11.348 -16.412 3.706 1.00 0.00 N ATOM 1141 CA THR A 72 -10.578 -15.434 2.949 1.00 0.00 C ATOM 1142 C THR A 72 -10.008 -14.355 3.863 1.00 0.00 C ATOM 1143 O THR A 72 -10.752 -13.572 4.453 1.00 0.00 O ATOM 1144 CB THR A 72 -11.436 -14.765 1.858 1.00 0.00 C ATOM 1145 OG1 THR A 72 -11.428 -15.565 0.670 1.00 0.00 O ATOM 1146 CG2 THR A 72 -10.918 -13.371 1.541 1.00 0.00 C ATOM 0 H THR A 72 -12.327 -16.161 3.847 1.00 0.00 H new ATOM 0 HA THR A 72 -9.759 -15.976 2.476 1.00 0.00 H new ATOM 0 HB THR A 72 -12.457 -14.679 2.231 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.977 -15.134 -0.018 1.00 0.00 H new ATOM 0 HG21 THR A 72 -11.540 -12.919 0.768 1.00 0.00 H new ATOM 0 HG22 THR A 72 -10.953 -12.757 2.441 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.889 -13.437 1.187 1.00 0.00 H new ATOM 1154 N ASN A 73 -8.685 -14.320 3.977 1.00 0.00 N ATOM 1155 CA ASN A 73 -8.016 -13.337 4.820 1.00 0.00 C ATOM 1156 C ASN A 73 -8.766 -12.008 4.807 1.00 0.00 C ATOM 1157 O ASN A 73 -8.997 -11.408 3.757 1.00 0.00 O ATOM 1158 CB ASN A 73 -6.575 -13.126 4.350 1.00 0.00 C ATOM 1159 CG ASN A 73 -5.766 -14.409 4.372 1.00 0.00 C ATOM 1160 OD1 ASN A 73 -6.228 -15.455 3.916 1.00 0.00 O ATOM 1161 ND2 ASN A 73 -4.553 -14.334 4.906 1.00 0.00 N ATOM 0 H ASN A 73 -8.055 -14.961 3.496 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.006 -13.719 5.841 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.581 -12.721 3.338 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.093 -12.385 4.987 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.963 -15.165 4.950 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -4.211 -13.445 5.272 1.00 0.00 H new ATOM 1168 N PRO A 74 -9.155 -11.537 6.001 1.00 0.00 N ATOM 1169 CA PRO A 74 -9.884 -10.274 6.153 1.00 0.00 C ATOM 1170 C PRO A 74 -9.012 -9.061 5.849 1.00 0.00 C ATOM 1171 O PRO A 74 -7.953 -9.184 5.233 1.00 0.00 O ATOM 1172 CB PRO A 74 -10.298 -10.279 7.627 1.00 0.00 C ATOM 1173 CG PRO A 74 -9.292 -11.148 8.300 1.00 0.00 C ATOM 1174 CD PRO A 74 -8.914 -12.199 7.293 1.00 0.00 C ATOM 0 HA PRO A 74 -10.723 -10.202 5.460 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.293 -9.272 8.043 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -11.307 -10.671 7.753 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -8.420 -10.570 8.607 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -9.707 -11.601 9.200 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.873 -12.502 7.401 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -9.521 -13.098 7.403 1.00 0.00 H new ATOM 1182 N HIS A 75 -9.463 -7.889 6.285 1.00 0.00 N ATOM 1183 CA HIS A 75 -8.723 -6.653 6.059 1.00 0.00 C ATOM 1184 C HIS A 75 -8.281 -6.035 7.383 1.00 0.00 C ATOM 1185 O HIS A 75 -8.714 -6.463 8.454 1.00 0.00 O ATOM 1186 CB HIS A 75 -9.579 -5.655 5.278 1.00 0.00 C ATOM 1187 CG HIS A 75 -10.863 -5.302 5.964 1.00 0.00 C ATOM 1188 ND1 HIS A 75 -11.841 -6.229 6.255 1.00 0.00 N ATOM 1189 CD2 HIS A 75 -11.325 -4.114 6.420 1.00 0.00 C ATOM 1190 CE1 HIS A 75 -12.850 -5.627 6.857 1.00 0.00 C ATOM 1191 NE2 HIS A 75 -12.562 -4.343 6.970 1.00 0.00 N ATOM 0 H HIS A 75 -10.337 -7.770 6.797 1.00 0.00 H new ATOM 0 HA HIS A 75 -7.835 -6.893 5.475 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -9.002 -4.745 5.114 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -9.804 -6.072 4.296 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -11.793 -7.225 6.039 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -10.816 -3.163 6.362 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -13.757 -6.104 7.199 1.00 0.00 H new ATOM 1200 N CYS A 76 -7.418 -5.029 7.302 1.00 0.00 N ATOM 1201 CA CYS A 76 -6.917 -4.353 8.493 1.00 0.00 C ATOM 1202 C CYS A 76 -7.761 -3.125 8.818 1.00 0.00 C ATOM 1203 O CYS A 76 -8.280 -2.990 9.926 1.00 0.00 O ATOM 1204 CB CYS A 76 -5.456 -3.946 8.297 1.00 0.00 C ATOM 1205 SG CYS A 76 -4.647 -3.350 9.801 1.00 0.00 S ATOM 0 H CYS A 76 -7.050 -4.663 6.424 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.984 -5.048 9.330 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -4.900 -4.801 7.913 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -5.406 -3.166 7.537 1.00 0.00 H new ATOM 0 HG CYS A 76 -3.415 -3.032 9.534 1.00 0.00 H new ATOM 1211 N PHE A 77 -7.892 -2.230 7.844 1.00 0.00 N ATOM 1212 CA PHE A 77 -8.671 -1.010 8.027 1.00 0.00 C ATOM 1213 C PHE A 77 -9.504 -0.706 6.785 1.00 0.00 C ATOM 1214 O PHE A 77 -9.166 -1.129 5.680 1.00 0.00 O ATOM 1215 CB PHE A 77 -7.747 0.169 8.337 1.00 0.00 C ATOM 1216 CG PHE A 77 -6.638 0.340 7.338 1.00 0.00 C ATOM 1217 CD1 PHE A 77 -5.483 -0.419 7.428 1.00 0.00 C ATOM 1218 CD2 PHE A 77 -6.752 1.262 6.309 1.00 0.00 C ATOM 1219 CE1 PHE A 77 -4.461 -0.264 6.510 1.00 0.00 C ATOM 1220 CE2 PHE A 77 -5.734 1.421 5.388 1.00 0.00 C ATOM 1221 CZ PHE A 77 -4.587 0.658 5.489 1.00 0.00 C ATOM 0 H PHE A 77 -7.469 -2.326 6.921 1.00 0.00 H new ATOM 0 HA PHE A 77 -9.347 -1.163 8.868 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -8.338 1.084 8.372 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -7.315 0.031 9.328 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.380 -1.141 8.225 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.646 1.862 6.226 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.566 -0.863 6.591 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.835 2.141 4.590 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.790 0.782 4.771 1.00 0.00 H new ATOM 1231 N GLU A 78 -10.594 0.031 6.977 1.00 0.00 N ATOM 1232 CA GLU A 78 -11.475 0.391 5.873 1.00 0.00 C ATOM 1233 C GLU A 78 -11.411 1.890 5.592 1.00 0.00 C ATOM 1234 O GLU A 78 -11.502 2.708 6.507 1.00 0.00 O ATOM 1235 CB GLU A 78 -12.916 -0.019 6.186 1.00 0.00 C ATOM 1236 CG GLU A 78 -13.131 -1.523 6.201 1.00 0.00 C ATOM 1237 CD GLU A 78 -14.484 -1.913 6.763 1.00 0.00 C ATOM 1238 OE1 GLU A 78 -15.501 -1.670 6.080 1.00 0.00 O ATOM 1239 OE2 GLU A 78 -14.526 -2.461 7.884 1.00 0.00 O ATOM 0 H GLU A 78 -10.887 0.390 7.886 1.00 0.00 H new ATOM 0 HA GLU A 78 -11.138 -0.143 4.984 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.199 0.390 7.156 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.581 0.427 5.446 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.038 -1.910 5.186 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.346 -1.993 6.794 1.00 0.00 H new ATOM 1246 N ILE A 79 -11.254 2.241 4.320 1.00 0.00 N ATOM 1247 CA ILE A 79 -11.179 3.640 3.918 1.00 0.00 C ATOM 1248 C ILE A 79 -12.490 4.105 3.294 1.00 0.00 C ATOM 1249 O ILE A 79 -12.635 4.127 2.072 1.00 0.00 O ATOM 1250 CB ILE A 79 -10.034 3.877 2.915 1.00 0.00 C ATOM 1251 CG1 ILE A 79 -8.738 3.247 3.429 1.00 0.00 C ATOM 1252 CG2 ILE A 79 -9.844 5.366 2.669 1.00 0.00 C ATOM 1253 CD1 ILE A 79 -7.661 3.133 2.373 1.00 0.00 C ATOM 0 H ILE A 79 -11.176 1.576 3.550 1.00 0.00 H new ATOM 0 HA ILE A 79 -10.985 4.217 4.822 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.296 3.403 1.969 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -8.359 3.842 4.260 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.957 2.254 3.822 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -9.031 5.517 1.958 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -10.764 5.788 2.264 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -9.601 5.862 3.609 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.771 2.678 2.808 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.021 2.513 1.552 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.414 4.126 1.997 1.00 0.00 H new ATOM 1265 N VAL A 80 -13.443 4.477 4.143 1.00 0.00 N ATOM 1266 CA VAL A 80 -14.743 4.944 3.675 1.00 0.00 C ATOM 1267 C VAL A 80 -14.592 6.127 2.725 1.00 0.00 C ATOM 1268 O VAL A 80 -14.237 7.231 3.141 1.00 0.00 O ATOM 1269 CB VAL A 80 -15.648 5.356 4.852 1.00 0.00 C ATOM 1270 CG1 VAL A 80 -16.992 5.853 4.343 1.00 0.00 C ATOM 1271 CG2 VAL A 80 -15.830 4.194 5.816 1.00 0.00 C ATOM 0 H VAL A 80 -13.339 4.464 5.158 1.00 0.00 H new ATOM 0 HA VAL A 80 -15.206 4.112 3.144 1.00 0.00 H new ATOM 0 HB VAL A 80 -15.166 6.172 5.390 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -17.618 6.139 5.188 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -16.839 6.716 3.696 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -17.484 5.060 3.780 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -16.472 4.503 6.641 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -16.290 3.356 5.293 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -14.859 3.889 6.206 1.00 0.00 H new ATOM 1281 N THR A 81 -14.866 5.891 1.446 1.00 0.00 N ATOM 1282 CA THR A 81 -14.760 6.936 0.436 1.00 0.00 C ATOM 1283 C THR A 81 -16.138 7.381 -0.040 1.00 0.00 C ATOM 1284 O THR A 81 -17.158 6.853 0.400 1.00 0.00 O ATOM 1285 CB THR A 81 -13.938 6.464 -0.778 1.00 0.00 C ATOM 1286 OG1 THR A 81 -14.477 5.240 -1.289 1.00 0.00 O ATOM 1287 CG2 THR A 81 -12.479 6.261 -0.397 1.00 0.00 C ATOM 0 H THR A 81 -15.163 4.984 1.085 1.00 0.00 H new ATOM 0 HA THR A 81 -14.250 7.778 0.905 1.00 0.00 H new ATOM 0 HB THR A 81 -13.993 7.234 -1.548 1.00 0.00 H new ATOM 0 HG1 THR A 81 -15.126 4.877 -0.651 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.918 5.928 -1.270 1.00 0.00 H new ATOM 0 HG22 THR A 81 -12.063 7.202 -0.036 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.409 5.508 0.388 1.00 0.00 H new ATOM 1295 N ALA A 82 -16.160 8.356 -0.944 1.00 0.00 N ATOM 1296 CA ALA A 82 -17.413 8.870 -1.482 1.00 0.00 C ATOM 1297 C ALA A 82 -17.899 8.019 -2.651 1.00 0.00 C ATOM 1298 O ALA A 82 -18.698 8.471 -3.470 1.00 0.00 O ATOM 1299 CB ALA A 82 -17.247 10.319 -1.915 1.00 0.00 C ATOM 0 H ALA A 82 -15.324 8.805 -1.319 1.00 0.00 H new ATOM 0 HA ALA A 82 -18.165 8.822 -0.694 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -18.191 10.690 -2.315 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -16.954 10.924 -1.057 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -16.477 10.383 -2.684 1.00 0.00 H new ATOM 1305 N ASN A 83 -17.409 6.786 -2.723 1.00 0.00 N ATOM 1306 CA ASN A 83 -17.792 5.873 -3.794 1.00 0.00 C ATOM 1307 C ASN A 83 -18.161 4.502 -3.233 1.00 0.00 C ATOM 1308 O ASN A 83 -19.102 3.862 -3.702 1.00 0.00 O ATOM 1309 CB ASN A 83 -16.652 5.732 -4.805 1.00 0.00 C ATOM 1310 CG ASN A 83 -16.889 4.603 -5.789 1.00 0.00 C ATOM 1311 OD1 ASN A 83 -16.349 3.507 -5.636 1.00 0.00 O ATOM 1312 ND2 ASN A 83 -17.700 4.866 -6.807 1.00 0.00 N ATOM 0 H ASN A 83 -16.746 6.396 -2.053 1.00 0.00 H new ATOM 0 HA ASN A 83 -18.665 6.288 -4.297 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -16.536 6.668 -5.351 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -15.717 5.556 -4.273 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -17.897 4.145 -7.501 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -18.126 5.789 -6.895 1.00 0.00 H new ATOM 1319 N ALA A 84 -17.414 4.059 -2.227 1.00 0.00 N ATOM 1320 CA ALA A 84 -17.665 2.767 -1.601 1.00 0.00 C ATOM 1321 C ALA A 84 -16.709 2.527 -0.438 1.00 0.00 C ATOM 1322 O ALA A 84 -15.733 3.256 -0.261 1.00 0.00 O ATOM 1323 CB ALA A 84 -17.542 1.651 -2.627 1.00 0.00 C ATOM 0 H ALA A 84 -16.630 4.576 -1.828 1.00 0.00 H new ATOM 0 HA ALA A 84 -18.681 2.772 -1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -17.732 0.692 -2.146 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -18.269 1.807 -3.424 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -16.537 1.653 -3.048 1.00 0.00 H new ATOM 1329 N THR A 85 -16.996 1.499 0.355 1.00 0.00 N ATOM 1330 CA THR A 85 -16.163 1.163 1.503 1.00 0.00 C ATOM 1331 C THR A 85 -14.954 0.336 1.082 1.00 0.00 C ATOM 1332 O THR A 85 -15.096 -0.714 0.454 1.00 0.00 O ATOM 1333 CB THR A 85 -16.959 0.383 2.566 1.00 0.00 C ATOM 1334 OG1 THR A 85 -18.266 0.950 2.712 1.00 0.00 O ATOM 1335 CG2 THR A 85 -16.239 0.406 3.906 1.00 0.00 C ATOM 0 H THR A 85 -17.799 0.885 0.223 1.00 0.00 H new ATOM 0 HA THR A 85 -15.823 2.105 1.933 1.00 0.00 H new ATOM 0 HB THR A 85 -17.046 -0.652 2.236 1.00 0.00 H new ATOM 0 HG1 THR A 85 -18.767 0.448 3.388 1.00 0.00 H new ATOM 0 HG21 THR A 85 -16.820 -0.151 4.641 1.00 0.00 H new ATOM 0 HG22 THR A 85 -15.256 -0.052 3.799 1.00 0.00 H new ATOM 0 HG23 THR A 85 -16.125 1.437 4.240 1.00 0.00 H new ATOM 1343 N TYR A 86 -13.765 0.814 1.432 1.00 0.00 N ATOM 1344 CA TYR A 86 -12.530 0.118 1.088 1.00 0.00 C ATOM 1345 C TYR A 86 -12.175 -0.918 2.151 1.00 0.00 C ATOM 1346 O TYR A 86 -12.561 -0.790 3.313 1.00 0.00 O ATOM 1347 CB TYR A 86 -11.384 1.118 0.931 1.00 0.00 C ATOM 1348 CG TYR A 86 -11.412 1.870 -0.380 1.00 0.00 C ATOM 1349 CD1 TYR A 86 -12.611 2.114 -1.038 1.00 0.00 C ATOM 1350 CD2 TYR A 86 -10.239 2.335 -0.963 1.00 0.00 C ATOM 1351 CE1 TYR A 86 -12.642 2.800 -2.237 1.00 0.00 C ATOM 1352 CE2 TYR A 86 -10.260 3.023 -2.160 1.00 0.00 C ATOM 1353 CZ TYR A 86 -11.464 3.253 -2.793 1.00 0.00 C ATOM 1354 OH TYR A 86 -11.489 3.937 -3.987 1.00 0.00 O ATOM 0 H TYR A 86 -13.630 1.680 1.953 1.00 0.00 H new ATOM 0 HA TYR A 86 -12.685 -0.398 0.141 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -11.423 1.834 1.752 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.436 0.587 1.016 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -13.535 1.761 -0.605 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.295 2.155 -0.471 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -13.583 2.980 -2.736 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -9.339 3.379 -2.598 1.00 0.00 H new ATOM 0 HH TYR A 86 -10.576 4.187 -4.240 1.00 0.00 H new ATOM 1364 N PHE A 87 -11.435 -1.944 1.743 1.00 0.00 N ATOM 1365 CA PHE A 87 -11.026 -3.003 2.658 1.00 0.00 C ATOM 1366 C PHE A 87 -9.551 -3.345 2.470 1.00 0.00 C ATOM 1367 O PHE A 87 -9.209 -4.309 1.785 1.00 0.00 O ATOM 1368 CB PHE A 87 -11.883 -4.252 2.442 1.00 0.00 C ATOM 1369 CG PHE A 87 -13.328 -4.057 2.804 1.00 0.00 C ATOM 1370 CD1 PHE A 87 -14.158 -3.286 2.006 1.00 0.00 C ATOM 1371 CD2 PHE A 87 -13.856 -4.646 3.942 1.00 0.00 C ATOM 1372 CE1 PHE A 87 -15.487 -3.106 2.338 1.00 0.00 C ATOM 1373 CE2 PHE A 87 -15.185 -4.469 4.278 1.00 0.00 C ATOM 1374 CZ PHE A 87 -16.002 -3.698 3.474 1.00 0.00 C ATOM 0 H PHE A 87 -11.107 -2.064 0.785 1.00 0.00 H new ATOM 0 HA PHE A 87 -11.170 -2.644 3.677 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -11.816 -4.553 1.396 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -11.475 -5.070 3.036 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -13.762 -2.821 1.115 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -13.222 -5.250 4.574 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -16.123 -2.502 1.708 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -15.584 -4.933 5.168 1.00 0.00 H new ATOM 0 HZ PHE A 87 -17.041 -3.559 3.733 1.00 0.00 H new ATOM 1384 N VAL A 88 -8.682 -2.548 3.082 1.00 0.00 N ATOM 1385 CA VAL A 88 -7.243 -2.766 2.983 1.00 0.00 C ATOM 1386 C VAL A 88 -6.728 -3.579 4.165 1.00 0.00 C ATOM 1387 O VAL A 88 -7.107 -3.337 5.311 1.00 0.00 O ATOM 1388 CB VAL A 88 -6.477 -1.432 2.918 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -4.993 -1.679 2.691 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -7.051 -0.540 1.828 1.00 0.00 C ATOM 0 H VAL A 88 -8.949 -1.745 3.652 1.00 0.00 H new ATOM 0 HA VAL A 88 -7.069 -3.321 2.061 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.593 -0.919 3.873 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.468 -0.725 2.648 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.594 -2.276 3.511 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.853 -2.213 1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.497 0.398 1.797 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.967 -1.043 0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.100 -0.335 2.040 1.00 0.00 H new ATOM 1400 N GLY A 89 -5.860 -4.545 3.879 1.00 0.00 N ATOM 1401 CA GLY A 89 -5.306 -5.379 4.930 1.00 0.00 C ATOM 1402 C GLY A 89 -4.257 -6.343 4.411 1.00 0.00 C ATOM 1403 O GLY A 89 -3.219 -5.925 3.902 1.00 0.00 O ATOM 0 H GLY A 89 -5.531 -4.765 2.939 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.864 -4.745 5.698 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.110 -5.942 5.405 1.00 0.00 H new ATOM 1407 N GLU A 90 -4.529 -7.638 4.543 1.00 0.00 N ATOM 1408 CA GLU A 90 -3.599 -8.663 4.086 1.00 0.00 C ATOM 1409 C GLU A 90 -4.139 -9.376 2.849 1.00 0.00 C ATOM 1410 O GLU A 90 -5.245 -9.092 2.390 1.00 0.00 O ATOM 1411 CB GLU A 90 -3.338 -9.680 5.200 1.00 0.00 C ATOM 1412 CG GLU A 90 -4.450 -10.702 5.364 1.00 0.00 C ATOM 1413 CD GLU A 90 -4.516 -11.272 6.767 1.00 0.00 C ATOM 1414 OE1 GLU A 90 -4.170 -10.542 7.720 1.00 0.00 O ATOM 1415 OE2 GLU A 90 -4.914 -12.447 6.913 1.00 0.00 O ATOM 0 H GLU A 90 -5.385 -8.001 4.962 1.00 0.00 H new ATOM 0 HA GLU A 90 -2.661 -8.174 3.822 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -2.404 -10.202 4.992 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -3.203 -9.148 6.142 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.405 -10.237 5.120 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.300 -11.514 4.653 1.00 0.00 H new ATOM 1422 N MET A 91 -3.350 -10.302 2.315 1.00 0.00 N ATOM 1423 CA MET A 91 -3.749 -11.055 1.131 1.00 0.00 C ATOM 1424 C MET A 91 -3.827 -12.547 1.438 1.00 0.00 C ATOM 1425 O MET A 91 -3.136 -13.062 2.317 1.00 0.00 O ATOM 1426 CB MET A 91 -2.763 -10.809 -0.012 1.00 0.00 C ATOM 1427 CG MET A 91 -1.364 -11.334 0.267 1.00 0.00 C ATOM 1428 SD MET A 91 -1.236 -13.119 0.048 1.00 0.00 S ATOM 1429 CE MET A 91 -0.866 -13.220 -1.701 1.00 0.00 C ATOM 0 H MET A 91 -2.431 -10.549 2.683 1.00 0.00 H new ATOM 0 HA MET A 91 -4.738 -10.711 0.828 1.00 0.00 H new ATOM 0 HB2 MET A 91 -3.145 -11.280 -0.918 1.00 0.00 H new ATOM 0 HB3 MET A 91 -2.708 -9.738 -0.209 1.00 0.00 H new ATOM 0 HG2 MET A 91 -0.655 -10.839 -0.397 1.00 0.00 H new ATOM 0 HG3 MET A 91 -1.080 -11.076 1.287 1.00 0.00 H new ATOM 0 HE1 MET A 91 -0.757 -14.265 -1.990 1.00 0.00 H new ATOM 0 HE2 MET A 91 -1.678 -12.768 -2.271 1.00 0.00 H new ATOM 0 HE3 MET A 91 0.063 -12.688 -1.908 1.00 0.00 H new ATOM 1439 N PRO A 92 -4.690 -13.260 0.698 1.00 0.00 N ATOM 1440 CA PRO A 92 -4.879 -14.703 0.873 1.00 0.00 C ATOM 1441 C PRO A 92 -3.668 -15.506 0.412 1.00 0.00 C ATOM 1442 O PRO A 92 -3.447 -15.683 -0.785 1.00 0.00 O ATOM 1443 CB PRO A 92 -6.092 -15.011 -0.008 1.00 0.00 C ATOM 1444 CG PRO A 92 -6.091 -13.939 -1.043 1.00 0.00 C ATOM 1445 CD PRO A 92 -5.547 -12.711 -0.367 1.00 0.00 C ATOM 0 HA PRO A 92 -5.016 -14.972 1.920 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -6.011 -15.999 -0.461 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -7.015 -15.001 0.572 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.474 -14.221 -1.896 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.097 -13.762 -1.423 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.979 -12.089 -1.059 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -6.345 -12.089 0.039 1.00 0.00 H new ATOM 1453 N GLY A 93 -2.885 -15.991 1.371 1.00 0.00 N ATOM 1454 CA GLY A 93 -1.706 -16.771 1.043 1.00 0.00 C ATOM 1455 C GLY A 93 -2.051 -18.122 0.449 1.00 0.00 C ATOM 1456 O GLY A 93 -1.818 -18.366 -0.734 1.00 0.00 O ATOM 0 H GLY A 93 -3.046 -15.858 2.369 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.090 -16.214 0.337 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.108 -16.915 1.943 1.00 0.00 H new ATOM 1460 N GLY A 94 -2.608 -19.005 1.273 1.00 0.00 N ATOM 1461 CA GLY A 94 -2.975 -20.328 0.805 1.00 0.00 C ATOM 1462 C GLY A 94 -1.928 -21.373 1.139 1.00 0.00 C ATOM 1463 O GLY A 94 -1.708 -21.690 2.308 1.00 0.00 O ATOM 0 H GLY A 94 -2.811 -18.827 2.257 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.927 -20.617 1.251 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.124 -20.300 -0.274 1.00 0.00 H new ATOM 1467 N THR A 95 -1.281 -21.910 0.110 1.00 0.00 N ATOM 1468 CA THR A 95 -0.254 -22.927 0.300 1.00 0.00 C ATOM 1469 C THR A 95 0.997 -22.333 0.937 1.00 0.00 C ATOM 1470 O THR A 95 1.379 -21.194 0.668 1.00 0.00 O ATOM 1471 CB THR A 95 0.131 -23.593 -1.035 1.00 0.00 C ATOM 1472 OG1 THR A 95 0.571 -22.600 -1.969 1.00 0.00 O ATOM 1473 CG2 THR A 95 -1.048 -24.357 -1.618 1.00 0.00 C ATOM 0 H THR A 95 -1.450 -21.658 -0.864 1.00 0.00 H new ATOM 0 HA THR A 95 -0.675 -23.680 0.966 1.00 0.00 H new ATOM 0 HB THR A 95 0.941 -24.297 -0.844 1.00 0.00 H new ATOM 0 HG1 THR A 95 0.815 -23.031 -2.814 1.00 0.00 H new ATOM 0 HG21 THR A 95 -0.752 -24.819 -2.560 1.00 0.00 H new ATOM 0 HG22 THR A 95 -1.362 -25.131 -0.918 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.875 -23.670 -1.795 1.00 0.00 H new ATOM 1481 N PRO A 96 1.652 -23.121 1.803 1.00 0.00 N ATOM 1482 CA PRO A 96 2.871 -22.693 2.496 1.00 0.00 C ATOM 1483 C PRO A 96 4.063 -22.573 1.552 1.00 0.00 C ATOM 1484 O PRO A 96 4.219 -23.371 0.629 1.00 0.00 O ATOM 1485 CB PRO A 96 3.108 -23.809 3.517 1.00 0.00 C ATOM 1486 CG PRO A 96 2.444 -25.006 2.931 1.00 0.00 C ATOM 1487 CD PRO A 96 1.254 -24.490 2.171 1.00 0.00 C ATOM 0 HA PRO A 96 2.761 -21.704 2.942 1.00 0.00 H new ATOM 0 HB2 PRO A 96 4.173 -23.983 3.673 1.00 0.00 H new ATOM 0 HB3 PRO A 96 2.681 -23.555 4.487 1.00 0.00 H new ATOM 0 HG2 PRO A 96 3.124 -25.546 2.272 1.00 0.00 H new ATOM 0 HG3 PRO A 96 2.137 -25.703 3.711 1.00 0.00 H new ATOM 0 HD2 PRO A 96 1.045 -25.098 1.291 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.353 -24.495 2.784 1.00 0.00 H new ATOM 1495 N GLY A 97 4.902 -21.569 1.791 1.00 0.00 N ATOM 1496 CA GLY A 97 6.069 -21.363 0.953 1.00 0.00 C ATOM 1497 C GLY A 97 5.894 -20.207 -0.011 1.00 0.00 C ATOM 1498 O GLY A 97 5.028 -20.244 -0.885 1.00 0.00 O ATOM 0 H GLY A 97 4.794 -20.895 2.549 1.00 0.00 H new ATOM 0 HA2 GLY A 97 6.938 -21.177 1.585 1.00 0.00 H new ATOM 0 HA3 GLY A 97 6.273 -22.274 0.390 1.00 0.00 H new ATOM 1502 N GLY A 98 6.718 -19.176 0.147 1.00 0.00 N ATOM 1503 CA GLY A 98 6.633 -18.018 -0.723 1.00 0.00 C ATOM 1504 C GLY A 98 6.070 -16.801 -0.015 1.00 0.00 C ATOM 1505 O GLY A 98 6.712 -16.208 0.852 1.00 0.00 O ATOM 0 H GLY A 98 7.443 -19.122 0.862 1.00 0.00 H new ATOM 0 HA2 GLY A 98 7.625 -17.784 -1.109 1.00 0.00 H new ATOM 0 HA3 GLY A 98 6.006 -18.258 -1.582 1.00 0.00 H new ATOM 1509 N PRO A 99 4.841 -16.411 -0.386 1.00 0.00 N ATOM 1510 CA PRO A 99 4.165 -15.253 0.206 1.00 0.00 C ATOM 1511 C PRO A 99 3.756 -15.499 1.654 1.00 0.00 C ATOM 1512 O PRO A 99 2.645 -15.953 1.927 1.00 0.00 O ATOM 1513 CB PRO A 99 2.927 -15.075 -0.676 1.00 0.00 C ATOM 1514 CG PRO A 99 2.669 -16.429 -1.243 1.00 0.00 C ATOM 1515 CD PRO A 99 4.017 -17.072 -1.413 1.00 0.00 C ATOM 0 HA PRO A 99 4.812 -14.376 0.238 1.00 0.00 H new ATOM 0 HB2 PRO A 99 2.075 -14.720 -0.096 1.00 0.00 H new ATOM 0 HB3 PRO A 99 3.104 -14.343 -1.464 1.00 0.00 H new ATOM 0 HG2 PRO A 99 2.038 -17.017 -0.577 1.00 0.00 H new ATOM 0 HG3 PRO A 99 2.147 -16.359 -2.197 1.00 0.00 H new ATOM 0 HD2 PRO A 99 3.971 -18.150 -1.259 1.00 0.00 H new ATOM 0 HD3 PRO A 99 4.416 -16.910 -2.414 1.00 0.00 H new ATOM 1523 N SER A 100 4.661 -15.197 2.580 1.00 0.00 N ATOM 1524 CA SER A 100 4.395 -15.388 4.001 1.00 0.00 C ATOM 1525 C SER A 100 2.991 -14.911 4.360 1.00 0.00 C ATOM 1526 O SER A 100 2.253 -15.595 5.067 1.00 0.00 O ATOM 1527 CB SER A 100 5.431 -14.639 4.841 1.00 0.00 C ATOM 1528 OG SER A 100 6.742 -15.101 4.565 1.00 0.00 O ATOM 0 H SER A 100 5.585 -14.819 2.371 1.00 0.00 H new ATOM 0 HA SER A 100 4.464 -16.454 4.218 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.368 -13.571 4.634 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.210 -14.773 5.900 1.00 0.00 H new ATOM 0 HG SER A 100 7.386 -14.605 5.113 1.00 0.00 H new ATOM 1534 N GLY A 101 2.629 -13.731 3.865 1.00 0.00 N ATOM 1535 CA GLY A 101 1.316 -13.181 4.144 1.00 0.00 C ATOM 1536 C GLY A 101 1.129 -12.838 5.609 1.00 0.00 C ATOM 1537 O GLY A 101 0.099 -13.158 6.201 1.00 0.00 O ATOM 0 H GLY A 101 3.222 -13.147 3.276 1.00 0.00 H new ATOM 0 HA2 GLY A 101 1.166 -12.285 3.542 1.00 0.00 H new ATOM 0 HA3 GLY A 101 0.553 -13.899 3.842 1.00 0.00 H new ATOM 1541 N GLN A 102 2.129 -12.186 6.194 1.00 0.00 N ATOM 1542 CA GLN A 102 2.071 -11.803 7.599 1.00 0.00 C ATOM 1543 C GLN A 102 0.885 -10.881 7.863 1.00 0.00 C ATOM 1544 O GLN A 102 0.157 -11.054 8.840 1.00 0.00 O ATOM 1545 CB GLN A 102 3.371 -11.112 8.015 1.00 0.00 C ATOM 1546 CG GLN A 102 4.596 -12.004 7.906 1.00 0.00 C ATOM 1547 CD GLN A 102 5.837 -11.368 8.502 1.00 0.00 C ATOM 1548 OE1 GLN A 102 6.042 -10.159 8.393 1.00 0.00 O ATOM 1549 NE2 GLN A 102 6.672 -12.181 9.137 1.00 0.00 N ATOM 0 H GLN A 102 2.988 -11.912 5.717 1.00 0.00 H new ATOM 0 HA GLN A 102 1.943 -12.709 8.192 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.518 -10.229 7.393 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.275 -10.765 9.044 1.00 0.00 H new ATOM 0 HG2 GLN A 102 4.398 -12.949 8.412 1.00 0.00 H new ATOM 0 HG3 GLN A 102 4.780 -12.236 6.857 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.462 -13.177 9.203 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.523 -11.810 9.559 1.00 0.00 H new ATOM 1558 N GLY A 103 0.696 -9.901 6.985 1.00 0.00 N ATOM 1559 CA GLY A 103 -0.404 -8.967 7.141 1.00 0.00 C ATOM 1560 C GLY A 103 -0.639 -8.585 8.590 1.00 0.00 C ATOM 1561 O GLY A 103 -1.760 -8.677 9.088 1.00 0.00 O ATOM 0 H GLY A 103 1.285 -9.737 6.168 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -0.198 -8.068 6.560 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -1.313 -9.409 6.733 1.00 0.00 H new ATOM 1565 N ALA A 104 0.421 -8.158 9.267 1.00 0.00 N ATOM 1566 CA ALA A 104 0.325 -7.761 10.666 1.00 0.00 C ATOM 1567 C ALA A 104 1.071 -6.456 10.920 1.00 0.00 C ATOM 1568 O ALA A 104 0.472 -5.455 11.311 1.00 0.00 O ATOM 1569 CB ALA A 104 0.865 -8.863 11.566 1.00 0.00 C ATOM 0 H ALA A 104 1.357 -8.078 8.869 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.727 -7.599 10.899 1.00 0.00 H new ATOM 0 HB1 ALA A 104 0.787 -8.553 12.608 1.00 0.00 H new ATOM 0 HB2 ALA A 104 0.285 -9.774 11.414 1.00 0.00 H new ATOM 0 HB3 ALA A 104 1.910 -9.053 11.321 1.00 0.00 H new ATOM 1575 N GLU A 105 2.381 -6.474 10.694 1.00 0.00 N ATOM 1576 CA GLU A 105 3.208 -5.291 10.900 1.00 0.00 C ATOM 1577 C GLU A 105 3.133 -4.359 9.694 1.00 0.00 C ATOM 1578 O GLU A 105 3.222 -3.139 9.833 1.00 0.00 O ATOM 1579 CB GLU A 105 4.661 -5.696 11.156 1.00 0.00 C ATOM 1580 CG GLU A 105 4.967 -5.969 12.619 1.00 0.00 C ATOM 1581 CD GLU A 105 6.451 -6.132 12.884 1.00 0.00 C ATOM 1582 OE1 GLU A 105 7.198 -6.419 11.925 1.00 0.00 O ATOM 1583 OE2 GLU A 105 6.866 -5.972 14.051 1.00 0.00 O ATOM 0 H GLU A 105 2.892 -7.295 10.368 1.00 0.00 H new ATOM 0 HA GLU A 105 2.827 -4.760 11.772 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.889 -6.588 10.573 1.00 0.00 H new ATOM 0 HB3 GLU A 105 5.319 -4.904 10.797 1.00 0.00 H new ATOM 0 HG2 GLU A 105 4.581 -5.150 13.226 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.444 -6.872 12.933 1.00 0.00 H new ATOM 1590 N ALA A 106 2.970 -4.942 8.511 1.00 0.00 N ATOM 1591 CA ALA A 106 2.882 -4.165 7.281 1.00 0.00 C ATOM 1592 C ALA A 106 1.586 -3.364 7.230 1.00 0.00 C ATOM 1593 O ALA A 106 1.601 -2.156 6.995 1.00 0.00 O ATOM 1594 CB ALA A 106 2.988 -5.080 6.070 1.00 0.00 C ATOM 0 H ALA A 106 2.896 -5.951 8.378 1.00 0.00 H new ATOM 0 HA ALA A 106 3.714 -3.461 7.264 1.00 0.00 H new ATOM 0 HB1 ALA A 106 2.921 -4.486 5.158 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.944 -5.604 6.092 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.176 -5.806 6.091 1.00 0.00 H new ATOM 1600 N ALA A 107 0.466 -4.045 7.450 1.00 0.00 N ATOM 1601 CA ALA A 107 -0.839 -3.395 7.430 1.00 0.00 C ATOM 1602 C ALA A 107 -0.951 -2.354 8.538 1.00 0.00 C ATOM 1603 O ALA A 107 -1.188 -1.175 8.274 1.00 0.00 O ATOM 1604 CB ALA A 107 -1.946 -4.431 7.562 1.00 0.00 C ATOM 0 H ALA A 107 0.436 -5.046 7.644 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.948 -2.882 6.474 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -2.915 -3.932 7.546 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.886 -5.135 6.732 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -1.831 -4.969 8.503 1.00 0.00 H new ATOM 1610 N ARG A 108 -0.781 -2.797 9.780 1.00 0.00 N ATOM 1611 CA ARG A 108 -0.865 -1.903 10.928 1.00 0.00 C ATOM 1612 C ARG A 108 -0.156 -0.583 10.643 1.00 0.00 C ATOM 1613 O ARG A 108 -0.571 0.472 11.119 1.00 0.00 O ATOM 1614 CB ARG A 108 -0.254 -2.567 12.164 1.00 0.00 C ATOM 1615 CG ARG A 108 1.248 -2.362 12.285 1.00 0.00 C ATOM 1616 CD ARG A 108 1.809 -3.066 13.510 1.00 0.00 C ATOM 1617 NE ARG A 108 3.215 -2.741 13.732 1.00 0.00 N ATOM 1618 CZ ARG A 108 3.809 -2.816 14.918 1.00 0.00 C ATOM 1619 NH1 ARG A 108 3.121 -3.203 15.984 1.00 0.00 N ATOM 1620 NH2 ARG A 108 5.092 -2.504 15.040 1.00 0.00 N ATOM 0 H ARG A 108 -0.584 -3.770 10.016 1.00 0.00 H new ATOM 0 HA ARG A 108 -1.918 -1.695 11.119 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -0.739 -2.171 13.056 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -0.465 -3.636 12.134 1.00 0.00 H new ATOM 0 HG2 ARG A 108 1.741 -2.740 11.389 1.00 0.00 H new ATOM 0 HG3 ARG A 108 1.467 -1.296 12.344 1.00 0.00 H new ATOM 0 HD2 ARG A 108 1.229 -2.783 14.388 1.00 0.00 H new ATOM 0 HD3 ARG A 108 1.701 -4.144 13.390 1.00 0.00 H new ATOM 0 HE ARG A 108 3.772 -2.440 12.932 1.00 0.00 H new ATOM 0 HH11 ARG A 108 2.134 -3.444 15.894 1.00 0.00 H new ATOM 0 HH12 ARG A 108 3.579 -3.260 16.894 1.00 0.00 H new ATOM 0 HH21 ARG A 108 5.624 -2.206 14.223 1.00 0.00 H new ATOM 0 HH22 ARG A 108 5.547 -2.562 15.951 1.00 0.00 H new ATOM 1634 N GLY A 109 0.919 -0.651 9.862 1.00 0.00 N ATOM 1635 CA GLY A 109 1.669 0.545 9.528 1.00 0.00 C ATOM 1636 C GLY A 109 0.867 1.516 8.685 1.00 0.00 C ATOM 1637 O GLY A 109 0.857 2.718 8.951 1.00 0.00 O ATOM 0 H GLY A 109 1.283 -1.513 9.455 1.00 0.00 H new ATOM 0 HA2 GLY A 109 1.984 1.041 10.446 1.00 0.00 H new ATOM 0 HA3 GLY A 109 2.575 0.264 8.990 1.00 0.00 H new ATOM 1641 N TRP A 110 0.193 0.996 7.666 1.00 0.00 N ATOM 1642 CA TRP A 110 -0.615 1.826 6.780 1.00 0.00 C ATOM 1643 C TRP A 110 -1.768 2.472 7.540 1.00 0.00 C ATOM 1644 O TRP A 110 -2.029 3.665 7.392 1.00 0.00 O ATOM 1645 CB TRP A 110 -1.158 0.992 5.619 1.00 0.00 C ATOM 1646 CG TRP A 110 -0.121 0.666 4.586 1.00 0.00 C ATOM 1647 CD1 TRP A 110 0.649 -0.460 4.525 1.00 0.00 C ATOM 1648 CD2 TRP A 110 0.259 1.475 3.468 1.00 0.00 C ATOM 1649 NE1 TRP A 110 1.485 -0.399 3.437 1.00 0.00 N ATOM 1650 CE2 TRP A 110 1.265 0.778 2.772 1.00 0.00 C ATOM 1651 CE3 TRP A 110 -0.153 2.721 2.987 1.00 0.00 C ATOM 1652 CZ2 TRP A 110 1.863 1.286 1.622 1.00 0.00 C ATOM 1653 CZ3 TRP A 110 0.441 3.224 1.846 1.00 0.00 C ATOM 1654 CH2 TRP A 110 1.440 2.507 1.173 1.00 0.00 C ATOM 0 H TRP A 110 0.190 0.003 7.433 1.00 0.00 H new ATOM 0 HA TRP A 110 0.022 2.616 6.383 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -1.574 0.064 6.011 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -1.976 1.533 5.144 1.00 0.00 H new ATOM 0 HD1 TRP A 110 0.607 -1.278 5.229 1.00 0.00 H new ATOM 0 HE1 TRP A 110 2.160 -1.114 3.168 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -0.922 3.281 3.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 2.634 0.736 1.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 0.131 4.186 1.466 1.00 0.00 H new ATOM 0 HH2 TRP A 110 1.884 2.927 0.283 1.00 0.00 H new ATOM 1665 N GLU A 111 -2.454 1.676 8.355 1.00 0.00 N ATOM 1666 CA GLU A 111 -3.579 2.172 9.138 1.00 0.00 C ATOM 1667 C GLU A 111 -3.246 3.515 9.780 1.00 0.00 C ATOM 1668 O GLU A 111 -3.988 4.487 9.636 1.00 0.00 O ATOM 1669 CB GLU A 111 -3.963 1.159 10.219 1.00 0.00 C ATOM 1670 CG GLU A 111 -4.969 1.693 11.224 1.00 0.00 C ATOM 1671 CD GLU A 111 -4.307 2.383 12.401 1.00 0.00 C ATOM 1672 OE1 GLU A 111 -3.923 1.683 13.361 1.00 0.00 O ATOM 1673 OE2 GLU A 111 -4.172 3.624 12.361 1.00 0.00 O ATOM 0 H GLU A 111 -2.250 0.686 8.490 1.00 0.00 H new ATOM 0 HA GLU A 111 -4.424 2.311 8.464 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.376 0.270 9.742 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.063 0.847 10.749 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.638 2.395 10.725 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -5.584 0.871 11.589 1.00 0.00 H new ATOM 1680 N THR A 112 -2.123 3.562 10.491 1.00 0.00 N ATOM 1681 CA THR A 112 -1.691 4.784 11.157 1.00 0.00 C ATOM 1682 C THR A 112 -1.176 5.807 10.150 1.00 0.00 C ATOM 1683 O THR A 112 -1.632 6.949 10.123 1.00 0.00 O ATOM 1684 CB THR A 112 -0.586 4.499 12.192 1.00 0.00 C ATOM 1685 OG1 THR A 112 -0.991 3.434 13.059 1.00 0.00 O ATOM 1686 CG2 THR A 112 -0.283 5.742 13.015 1.00 0.00 C ATOM 0 H THR A 112 -1.497 2.767 10.620 1.00 0.00 H new ATOM 0 HA THR A 112 -2.563 5.190 11.669 1.00 0.00 H new ATOM 0 HB THR A 112 0.318 4.208 11.656 1.00 0.00 H new ATOM 0 HG1 THR A 112 -0.283 3.258 13.713 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.500 5.517 13.739 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.052 6.542 12.355 1.00 0.00 H new ATOM 0 HG23 THR A 112 -1.184 6.058 13.541 1.00 0.00 H new ATOM 1694 N ALA A 113 -0.224 5.388 9.323 1.00 0.00 N ATOM 1695 CA ALA A 113 0.351 6.267 8.312 1.00 0.00 C ATOM 1696 C ALA A 113 -0.740 6.999 7.537 1.00 0.00 C ATOM 1697 O ALA A 113 -0.842 8.225 7.600 1.00 0.00 O ATOM 1698 CB ALA A 113 1.233 5.472 7.361 1.00 0.00 C ATOM 0 H ALA A 113 0.165 4.445 9.333 1.00 0.00 H new ATOM 0 HA ALA A 113 0.963 7.013 8.820 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.656 6.141 6.611 1.00 0.00 H new ATOM 0 HB2 ALA A 113 2.040 5.000 7.922 1.00 0.00 H new ATOM 0 HB3 ALA A 113 0.637 4.705 6.867 1.00 0.00 H new ATOM 1704 N ILE A 114 -1.551 6.241 6.808 1.00 0.00 N ATOM 1705 CA ILE A 114 -2.634 6.819 6.022 1.00 0.00 C ATOM 1706 C ILE A 114 -3.371 7.897 6.810 1.00 0.00 C ATOM 1707 O ILE A 114 -3.572 9.009 6.321 1.00 0.00 O ATOM 1708 CB ILE A 114 -3.643 5.744 5.577 1.00 0.00 C ATOM 1709 CG1 ILE A 114 -2.967 4.733 4.648 1.00 0.00 C ATOM 1710 CG2 ILE A 114 -4.836 6.389 4.888 1.00 0.00 C ATOM 1711 CD1 ILE A 114 -3.846 3.553 4.297 1.00 0.00 C ATOM 0 H ILE A 114 -1.479 5.225 6.745 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.178 7.266 5.138 1.00 0.00 H new ATOM 0 HB ILE A 114 -4.001 5.215 6.460 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -2.668 5.239 3.730 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -2.056 4.369 5.122 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.540 5.616 4.580 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -5.329 7.074 5.579 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.496 6.940 4.011 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -3.302 2.878 3.636 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -4.124 3.023 5.208 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -4.746 3.907 3.794 1.00 0.00 H new ATOM 1723 N ARG A 115 -3.770 7.559 8.031 1.00 0.00 N ATOM 1724 CA ARG A 115 -4.485 8.498 8.888 1.00 0.00 C ATOM 1725 C ARG A 115 -3.645 9.745 9.148 1.00 0.00 C ATOM 1726 O ARG A 115 -4.161 10.862 9.151 1.00 0.00 O ATOM 1727 CB ARG A 115 -4.853 7.832 10.215 1.00 0.00 C ATOM 1728 CG ARG A 115 -6.089 6.952 10.133 1.00 0.00 C ATOM 1729 CD ARG A 115 -6.187 6.017 11.329 1.00 0.00 C ATOM 1730 NE ARG A 115 -6.807 6.666 12.481 1.00 0.00 N ATOM 1731 CZ ARG A 115 -6.580 6.304 13.739 1.00 0.00 C ATOM 1732 NH1 ARG A 115 -5.750 5.305 14.005 1.00 0.00 N ATOM 1733 NH2 ARG A 115 -7.182 6.944 14.733 1.00 0.00 N ATOM 0 H ARG A 115 -3.611 6.643 8.450 1.00 0.00 H new ATOM 0 HA ARG A 115 -5.398 8.797 8.374 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -4.011 7.230 10.555 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -5.017 8.605 10.966 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -6.980 7.578 10.085 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -6.060 6.367 9.214 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -6.767 5.136 11.054 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -5.190 5.671 11.601 1.00 0.00 H new ATOM 0 HE ARG A 115 -7.450 7.440 12.310 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -5.284 4.812 13.243 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -5.577 5.029 14.972 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -7.819 7.714 14.532 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -7.007 6.666 15.699 1.00 0.00 H new ATOM 1747 N GLN A 116 -2.349 9.544 9.365 1.00 0.00 N ATOM 1748 CA GLN A 116 -1.438 10.653 9.627 1.00 0.00 C ATOM 1749 C GLN A 116 -1.374 11.598 8.432 1.00 0.00 C ATOM 1750 O GLN A 116 -1.536 12.809 8.577 1.00 0.00 O ATOM 1751 CB GLN A 116 -0.039 10.125 9.951 1.00 0.00 C ATOM 1752 CG GLN A 116 0.044 9.401 11.284 1.00 0.00 C ATOM 1753 CD GLN A 116 0.167 10.352 12.458 1.00 0.00 C ATOM 1754 OE1 GLN A 116 0.712 11.449 12.329 1.00 0.00 O ATOM 1755 NE2 GLN A 116 -0.340 9.936 13.613 1.00 0.00 N ATOM 0 H GLN A 116 -1.906 8.625 9.365 1.00 0.00 H new ATOM 0 HA GLN A 116 -1.817 11.208 10.485 1.00 0.00 H new ATOM 0 HB2 GLN A 116 0.277 9.447 9.158 1.00 0.00 H new ATOM 0 HB3 GLN A 116 0.663 10.959 9.956 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -0.845 8.783 11.413 1.00 0.00 H new ATOM 0 HG3 GLN A 116 0.902 8.728 11.275 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -0.783 9.019 13.675 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -0.286 10.533 14.438 1.00 0.00 H new ATOM 1764 N ALA A 117 -1.136 11.037 7.251 1.00 0.00 N ATOM 1765 CA ALA A 117 -1.052 11.830 6.031 1.00 0.00 C ATOM 1766 C ALA A 117 -2.377 12.525 5.736 1.00 0.00 C ATOM 1767 O ALA A 117 -2.401 13.648 5.229 1.00 0.00 O ATOM 1768 CB ALA A 117 -0.642 10.952 4.858 1.00 0.00 C ATOM 0 H ALA A 117 -0.998 10.036 7.113 1.00 0.00 H new ATOM 0 HA ALA A 117 -0.293 12.599 6.178 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -0.583 11.557 3.953 1.00 0.00 H new ATOM 0 HB2 ALA A 117 0.332 10.506 5.060 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -1.381 10.163 4.719 1.00 0.00 H new ATOM 1774 N LEU A 118 -3.477 11.853 6.055 1.00 0.00 N ATOM 1775 CA LEU A 118 -4.806 12.406 5.824 1.00 0.00 C ATOM 1776 C LEU A 118 -5.094 13.553 6.787 1.00 0.00 C ATOM 1777 O LEU A 118 -6.098 14.252 6.654 1.00 0.00 O ATOM 1778 CB LEU A 118 -5.868 11.316 5.979 1.00 0.00 C ATOM 1779 CG LEU A 118 -7.296 11.801 6.232 1.00 0.00 C ATOM 1780 CD1 LEU A 118 -7.814 12.584 5.035 1.00 0.00 C ATOM 1781 CD2 LEU A 118 -8.212 10.626 6.539 1.00 0.00 C ATOM 0 H LEU A 118 -3.475 10.923 6.475 1.00 0.00 H new ATOM 0 HA LEU A 118 -4.839 12.794 4.806 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -5.868 10.705 5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -5.575 10.666 6.803 1.00 0.00 H new ATOM 0 HG LEU A 118 -7.286 12.464 7.097 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.831 12.921 5.233 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -7.173 13.448 4.860 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -7.809 11.945 4.152 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.224 10.990 6.716 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -8.217 9.938 5.694 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -7.852 10.107 7.427 1.00 0.00 H new ATOM 1793 N MET A 119 -4.205 13.742 7.757 1.00 0.00 N ATOM 1794 CA MET A 119 -4.362 14.807 8.741 1.00 0.00 C ATOM 1795 C MET A 119 -4.667 16.137 8.058 1.00 0.00 C ATOM 1796 O MET A 119 -5.334 16.999 8.629 1.00 0.00 O ATOM 1797 CB MET A 119 -3.097 14.935 9.591 1.00 0.00 C ATOM 1798 CG MET A 119 -2.909 13.794 10.578 1.00 0.00 C ATOM 1799 SD MET A 119 -3.678 14.123 12.175 1.00 0.00 S ATOM 1800 CE MET A 119 -4.545 12.581 12.458 1.00 0.00 C ATOM 0 H MET A 119 -3.369 13.172 7.883 1.00 0.00 H new ATOM 0 HA MET A 119 -5.201 14.550 9.388 1.00 0.00 H new ATOM 0 HB2 MET A 119 -2.230 14.981 8.932 1.00 0.00 H new ATOM 0 HB3 MET A 119 -3.131 15.877 10.139 1.00 0.00 H new ATOM 0 HG2 MET A 119 -3.331 12.881 10.157 1.00 0.00 H new ATOM 0 HG3 MET A 119 -1.843 13.615 10.722 1.00 0.00 H new ATOM 0 HE1 MET A 119 -5.072 12.629 13.411 1.00 0.00 H new ATOM 0 HE2 MET A 119 -5.263 12.415 11.655 1.00 0.00 H new ATOM 0 HE3 MET A 119 -3.829 11.760 12.480 1.00 0.00 H new ATOM 1810 N SER A 120 -4.173 16.296 6.835 1.00 0.00 N ATOM 1811 CA SER A 120 -4.389 17.523 6.077 1.00 0.00 C ATOM 1812 C SER A 120 -5.724 17.477 5.340 1.00 0.00 C ATOM 1813 O SER A 120 -5.944 18.220 4.384 1.00 0.00 O ATOM 1814 CB SER A 120 -3.250 17.738 5.078 1.00 0.00 C ATOM 1815 OG SER A 120 -2.085 18.216 5.729 1.00 0.00 O ATOM 0 H SER A 120 -3.620 15.591 6.347 1.00 0.00 H new ATOM 0 HA SER A 120 -4.409 18.356 6.779 1.00 0.00 H new ATOM 0 HB2 SER A 120 -3.027 16.801 4.568 1.00 0.00 H new ATOM 0 HB3 SER A 120 -3.562 18.450 4.314 1.00 0.00 H new ATOM 0 HG SER A 120 -1.371 18.344 5.070 1.00 0.00 H new ATOM 1821 N GLY A 121 -6.614 16.599 5.793 1.00 0.00 N ATOM 1822 CA GLY A 121 -7.917 16.472 5.166 1.00 0.00 C ATOM 1823 C GLY A 121 -7.865 16.706 3.669 1.00 0.00 C ATOM 1824 O GLY A 121 -7.434 15.847 2.900 1.00 0.00 O ATOM 0 H GLY A 121 -6.456 15.973 6.583 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -8.315 15.476 5.361 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -8.606 17.185 5.619 1.00 0.00 H new ATOM 1828 N PRO A 122 -8.314 17.893 3.236 1.00 0.00 N ATOM 1829 CA PRO A 122 -8.329 18.265 1.818 1.00 0.00 C ATOM 1830 C PRO A 122 -6.926 18.483 1.262 1.00 0.00 C ATOM 1831 O PRO A 122 -6.178 19.329 1.751 1.00 0.00 O ATOM 1832 CB PRO A 122 -9.120 19.575 1.803 1.00 0.00 C ATOM 1833 CG PRO A 122 -8.938 20.143 3.168 1.00 0.00 C ATOM 1834 CD PRO A 122 -8.843 18.965 4.097 1.00 0.00 C ATOM 0 HA PRO A 122 -8.763 17.483 1.196 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -8.745 20.255 1.038 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -10.173 19.399 1.585 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -8.037 20.754 3.219 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -9.775 20.786 3.438 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -8.180 19.169 4.938 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -9.815 18.703 4.514 1.00 0.00 H new ATOM 1842 N SER A 123 -6.576 17.713 0.236 1.00 0.00 N ATOM 1843 CA SER A 123 -5.261 17.820 -0.386 1.00 0.00 C ATOM 1844 C SER A 123 -5.097 19.168 -1.082 1.00 0.00 C ATOM 1845 O SER A 123 -4.172 19.924 -0.786 1.00 0.00 O ATOM 1846 CB SER A 123 -5.054 16.686 -1.391 1.00 0.00 C ATOM 1847 OG SER A 123 -6.083 16.675 -2.366 1.00 0.00 O ATOM 0 H SER A 123 -7.184 17.009 -0.182 1.00 0.00 H new ATOM 0 HA SER A 123 -4.508 17.742 0.399 1.00 0.00 H new ATOM 0 HB2 SER A 123 -4.087 16.801 -1.880 1.00 0.00 H new ATOM 0 HB3 SER A 123 -5.035 15.730 -0.867 1.00 0.00 H new ATOM 0 HG SER A 123 -5.927 15.942 -2.998 1.00 0.00 H new ATOM 1853 N SER A 124 -6.002 19.462 -2.010 1.00 0.00 N ATOM 1854 CA SER A 124 -5.957 20.716 -2.752 1.00 0.00 C ATOM 1855 C SER A 124 -6.138 21.908 -1.816 1.00 0.00 C ATOM 1856 O SER A 124 -7.106 21.976 -1.060 1.00 0.00 O ATOM 1857 CB SER A 124 -7.040 20.733 -3.833 1.00 0.00 C ATOM 1858 OG SER A 124 -6.701 21.625 -4.880 1.00 0.00 O ATOM 0 H SER A 124 -6.776 18.848 -2.266 1.00 0.00 H new ATOM 0 HA SER A 124 -4.979 20.794 -3.227 1.00 0.00 H new ATOM 0 HB2 SER A 124 -7.173 19.729 -4.235 1.00 0.00 H new ATOM 0 HB3 SER A 124 -7.993 21.029 -3.393 1.00 0.00 H new ATOM 0 HG SER A 124 -7.408 21.616 -5.559 1.00 0.00 H new ATOM 1864 N GLY A 125 -5.197 22.846 -1.874 1.00 0.00 N ATOM 1865 CA GLY A 125 -5.270 24.022 -1.028 1.00 0.00 C ATOM 1866 C GLY A 125 -4.375 23.916 0.191 1.00 0.00 C ATOM 1867 O GLY A 125 -4.554 23.028 1.025 1.00 0.00 O ATOM 0 H GLY A 125 -4.386 22.812 -2.492 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.987 24.901 -1.607 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -6.301 24.171 -0.706 1.00 0.00 H new TER 1871 GLY A 125