USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 871 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 84 ASN : amide:sc= 0.179 K(o=1.2,f=-6.4!) USER MOD Set 1.2: A 97 LYS NZ :NH3+ 170:sc= 1.06 (180deg=0) USER MOD Set 2.1: A 72 SER OG : rot -150:sc= 0 USER MOD Set 2.2: A 104 MET CE :methyl -135:sc= -0.676 (180deg=-1.99!) USER MOD Set 3.1: A 1 MET CE :methyl -155:sc= -1.36 (180deg=-2.86!) USER MOD Set 3.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.37! K(o=-1.4!,f=0) USER MOD Single : A 12 ASN : amide:sc= -0.5 X(o=-0.5,f=-0.41) USER MOD Single : A 13 SER OG : rot 141:sc= 1.24 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 120:sc= -0.0137 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HE2:sc= 0.391 K(o=0.39,f=-1.4) USER MOD Single : A 33 SER OG : rot 129:sc= -2.28! USER MOD Single : A 35 ASN : amide:sc= -1.31! K(o=-1.3!,f=-0.043) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 140:sc= 0.856 (180deg=-0.926) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -66:sc= -1.32! USER MOD Single : A 53 ASN : amide:sc= -4.31! C(o=-4.3!,f=-7.3!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 110:sc= -0.0107 USER MOD Single : A 62 THR OG1 : rot 24:sc= -0.136 USER MOD Single : A 65 LYS NZ :NH3+ 146:sc= 0.681 (180deg=0.25) USER MOD Single : A 68 LYS NZ :NH3+ 172:sc=-0.00227 (180deg=-0.0745) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 56:sc= 1.28 USER MOD Single : A 81 LYS NZ :NH3+ -159:sc= 1.18 (180deg=0.737) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.372 X(o=-0.37,f=-0.0028) USER MOD Single : A 96 CYS SG : rot -46:sc= 0.17 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 44:sc= 1.21 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot 180:sc= -0.0609 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.925 12.658 24.589 1.00 0.00 N ATOM 2 CA MET A 1 15.840 13.372 23.881 1.00 0.00 C ATOM 3 C MET A 1 14.816 12.391 23.324 1.00 0.00 C ATOM 4 O MET A 1 15.166 11.454 22.607 1.00 0.00 O ATOM 5 CB MET A 1 16.417 14.205 22.735 1.00 0.00 C ATOM 6 CG MET A 1 15.361 14.898 21.885 1.00 0.00 C ATOM 7 SD MET A 1 14.944 16.561 22.459 1.00 0.00 S ATOM 8 CE MET A 1 14.202 16.235 24.057 1.00 0.00 C ATOM 0 H1 MET A 1 17.610 13.347 24.959 1.00 0.00 H new ATOM 0 H2 MET A 1 16.524 12.111 25.377 1.00 0.00 H new ATOM 0 H3 MET A 1 17.405 12.013 23.929 1.00 0.00 H new ATOM 0 HA MET A 1 15.346 14.028 24.598 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.089 14.958 23.148 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.018 13.558 22.095 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.716 14.957 20.856 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.457 14.289 21.876 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.525 17.049 24.317 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.645 15.299 24.015 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.984 16.159 24.813 1.00 0.00 H new ATOM 18 N VAL A 2 13.554 12.602 23.664 1.00 0.00 N ATOM 19 CA VAL A 2 12.478 11.796 23.116 1.00 0.00 C ATOM 20 C VAL A 2 11.787 12.532 21.976 1.00 0.00 C ATOM 21 O VAL A 2 11.064 11.947 21.171 1.00 0.00 O ATOM 22 CB VAL A 2 11.457 11.422 24.212 1.00 0.00 C ATOM 23 CG1 VAL A 2 10.684 12.646 24.683 1.00 0.00 C ATOM 24 CG2 VAL A 2 10.512 10.337 23.727 1.00 0.00 C ATOM 0 H VAL A 2 13.251 13.325 24.317 1.00 0.00 H new ATOM 0 HA VAL A 2 12.910 10.875 22.724 1.00 0.00 H new ATOM 0 HB VAL A 2 12.012 11.029 25.064 1.00 0.00 H new ATOM 0 HG11 VAL A 2 9.972 12.352 25.455 1.00 0.00 H new ATOM 0 HG12 VAL A 2 11.379 13.380 25.091 1.00 0.00 H new ATOM 0 HG13 VAL A 2 10.147 13.083 23.841 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.803 10.092 24.518 1.00 0.00 H new ATOM 0 HG22 VAL A 2 9.970 10.692 22.851 1.00 0.00 H new ATOM 0 HG23 VAL A 2 11.084 9.447 23.464 1.00 0.00 H new ATOM 34 N SER A 3 12.052 13.816 21.902 1.00 0.00 N ATOM 35 CA SER A 3 11.439 14.671 20.901 1.00 0.00 C ATOM 36 C SER A 3 12.217 14.618 19.592 1.00 0.00 C ATOM 37 O SER A 3 13.080 15.458 19.332 1.00 0.00 O ATOM 38 CB SER A 3 11.368 16.105 21.415 1.00 0.00 C ATOM 39 OG SER A 3 10.756 16.153 22.694 1.00 0.00 O ATOM 0 H SER A 3 12.695 14.299 22.529 1.00 0.00 H new ATOM 0 HA SER A 3 10.428 14.310 20.710 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.372 16.526 21.471 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.804 16.720 20.714 1.00 0.00 H new ATOM 0 HG SER A 3 10.722 17.081 23.006 1.00 0.00 H new ATOM 45 N THR A 4 11.936 13.602 18.793 1.00 0.00 N ATOM 46 CA THR A 4 12.578 13.453 17.500 1.00 0.00 C ATOM 47 C THR A 4 11.594 13.758 16.380 1.00 0.00 C ATOM 48 O THR A 4 11.976 13.927 15.222 1.00 0.00 O ATOM 49 CB THR A 4 13.143 12.032 17.330 1.00 0.00 C ATOM 50 OG1 THR A 4 12.087 11.067 17.433 1.00 0.00 O ATOM 51 CG2 THR A 4 14.196 11.753 18.392 1.00 0.00 C ATOM 0 H THR A 4 11.266 12.867 19.019 1.00 0.00 H new ATOM 0 HA THR A 4 13.404 14.163 17.449 1.00 0.00 H new ATOM 0 HB THR A 4 13.603 11.957 16.345 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.455 10.166 17.322 1.00 0.00 H new ATOM 0 HG21 THR A 4 14.587 10.744 18.260 1.00 0.00 H new ATOM 0 HG22 THR A 4 15.009 12.473 18.296 1.00 0.00 H new ATOM 0 HG23 THR A 4 13.747 11.842 19.381 1.00 0.00 H new ATOM 59 N LEU A 5 10.321 13.829 16.740 1.00 0.00 N ATOM 60 CA LEU A 5 9.270 14.149 15.791 1.00 0.00 C ATOM 61 C LEU A 5 8.718 15.534 16.090 1.00 0.00 C ATOM 62 O LEU A 5 8.847 16.023 17.213 1.00 0.00 O ATOM 63 CB LEU A 5 8.145 13.113 15.871 1.00 0.00 C ATOM 64 CG LEU A 5 8.569 11.668 15.614 1.00 0.00 C ATOM 65 CD1 LEU A 5 7.415 10.721 15.898 1.00 0.00 C ATOM 66 CD2 LEU A 5 9.051 11.504 14.181 1.00 0.00 C ATOM 0 H LEU A 5 9.991 13.667 17.692 1.00 0.00 H new ATOM 0 HA LEU A 5 9.687 14.133 14.784 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.690 13.170 16.860 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.374 13.382 15.149 1.00 0.00 H new ATOM 0 HG LEU A 5 9.392 11.422 16.285 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.732 9.695 15.711 1.00 0.00 H new ATOM 0 HD12 LEU A 5 7.109 10.822 16.939 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.575 10.966 15.248 1.00 0.00 H new ATOM 0 HD21 LEU A 5 9.350 10.469 14.014 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.246 11.765 13.494 1.00 0.00 H new ATOM 0 HD23 LEU A 5 9.904 12.160 14.007 1.00 0.00 H new ATOM 78 N PRO A 6 8.108 16.191 15.096 1.00 0.00 N ATOM 79 CA PRO A 6 7.484 17.495 15.295 1.00 0.00 C ATOM 80 C PRO A 6 6.219 17.376 16.136 1.00 0.00 C ATOM 81 O PRO A 6 5.634 16.294 16.242 1.00 0.00 O ATOM 82 CB PRO A 6 7.150 17.951 13.874 1.00 0.00 C ATOM 83 CG PRO A 6 6.974 16.688 13.116 1.00 0.00 C ATOM 84 CD PRO A 6 7.964 15.719 13.707 1.00 0.00 C ATOM 0 HA PRO A 6 8.128 18.194 15.828 1.00 0.00 H new ATOM 0 HB2 PRO A 6 6.244 18.557 13.853 1.00 0.00 H new ATOM 0 HB3 PRO A 6 7.950 18.559 13.453 1.00 0.00 H new ATOM 0 HG2 PRO A 6 5.955 16.313 13.210 1.00 0.00 H new ATOM 0 HG3 PRO A 6 7.161 16.840 12.053 1.00 0.00 H new ATOM 0 HD2 PRO A 6 7.597 14.693 13.666 1.00 0.00 H new ATOM 0 HD3 PRO A 6 8.915 15.739 13.174 1.00 0.00 H new ATOM 92 N PRO A 7 5.791 18.471 16.767 1.00 0.00 N ATOM 93 CA PRO A 7 4.584 18.483 17.585 1.00 0.00 C ATOM 94 C PRO A 7 3.311 18.358 16.756 1.00 0.00 C ATOM 95 O PRO A 7 3.342 18.127 15.545 1.00 0.00 O ATOM 96 CB PRO A 7 4.616 19.847 18.286 1.00 0.00 C ATOM 97 CG PRO A 7 5.982 20.394 18.042 1.00 0.00 C ATOM 98 CD PRO A 7 6.452 19.780 16.754 1.00 0.00 C ATOM 0 HA PRO A 7 4.570 17.636 18.271 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.851 20.511 17.885 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.421 19.743 19.353 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.959 21.481 17.970 1.00 0.00 H new ATOM 0 HG3 PRO A 7 6.655 20.143 18.862 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.157 20.375 15.890 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.537 19.686 16.721 1.00 0.00 H new ATOM 106 N CYS A 8 2.194 18.536 17.426 1.00 0.00 N ATOM 107 CA CYS A 8 0.890 18.453 16.801 1.00 0.00 C ATOM 108 C CYS A 8 0.392 19.852 16.499 1.00 0.00 C ATOM 109 O CYS A 8 0.270 20.669 17.405 1.00 0.00 O ATOM 110 CB CYS A 8 -0.059 17.730 17.756 1.00 0.00 C ATOM 111 SG CYS A 8 -1.817 17.660 17.279 1.00 0.00 S ATOM 0 H CYS A 8 2.163 18.743 18.424 1.00 0.00 H new ATOM 0 HA CYS A 8 0.944 17.898 15.864 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.299 16.708 17.881 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.009 18.213 18.731 1.00 0.00 H new ATOM 116 N PRO A 9 0.095 20.149 15.227 1.00 0.00 N ATOM 117 CA PRO A 9 -0.357 21.484 14.810 1.00 0.00 C ATOM 118 C PRO A 9 -1.740 21.823 15.356 1.00 0.00 C ATOM 119 O PRO A 9 -2.334 22.837 14.992 1.00 0.00 O ATOM 120 CB PRO A 9 -0.394 21.389 13.283 1.00 0.00 C ATOM 121 CG PRO A 9 -0.561 19.938 12.997 1.00 0.00 C ATOM 122 CD PRO A 9 0.180 19.218 14.087 1.00 0.00 C ATOM 0 HA PRO A 9 0.298 22.270 15.184 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.218 21.971 12.870 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.523 21.777 12.840 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.615 19.659 12.991 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.158 19.684 12.017 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.279 18.256 14.318 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.214 19.019 13.807 1.00 0.00 H new ATOM 130 N GLN A 10 -2.249 20.963 16.226 1.00 0.00 N ATOM 131 CA GLN A 10 -3.534 21.158 16.817 1.00 0.00 C ATOM 132 C GLN A 10 -3.416 21.405 18.323 1.00 0.00 C ATOM 133 O GLN A 10 -4.129 22.250 18.863 1.00 0.00 O ATOM 134 CB GLN A 10 -4.381 19.940 16.524 1.00 0.00 C ATOM 135 CG GLN A 10 -5.845 20.134 16.809 1.00 0.00 C ATOM 136 CD GLN A 10 -6.667 19.046 16.167 1.00 0.00 C ATOM 137 OE1 GLN A 10 -7.827 19.244 15.808 1.00 0.00 O ATOM 138 NE2 GLN A 10 -6.049 17.892 15.991 1.00 0.00 N ATOM 0 H GLN A 10 -1.771 20.115 16.532 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.007 22.043 16.391 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.258 19.667 15.476 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.013 19.102 17.117 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.013 20.135 17.886 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.166 21.106 16.436 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.086 17.776 16.306 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -6.535 17.117 15.540 1.00 0.00 H new ATOM 147 N CYS A 11 -2.518 20.695 19.021 1.00 0.00 N ATOM 148 CA CYS A 11 -2.372 20.893 20.461 1.00 0.00 C ATOM 149 C CYS A 11 -0.918 21.198 20.841 1.00 0.00 C ATOM 150 O CYS A 11 -0.671 21.960 21.776 1.00 0.00 O ATOM 151 CB CYS A 11 -2.871 19.661 21.229 1.00 0.00 C ATOM 152 SG CYS A 11 -1.917 18.129 20.950 1.00 0.00 S ATOM 0 H CYS A 11 -1.896 19.994 18.618 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.981 21.754 20.738 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.859 19.888 22.295 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.910 19.478 20.954 1.00 0.00 H new ATOM 157 N ASN A 12 0.036 20.576 20.127 1.00 0.00 N ATOM 158 CA ASN A 12 1.479 20.836 20.316 1.00 0.00 C ATOM 159 C ASN A 12 1.996 20.232 21.631 1.00 0.00 C ATOM 160 O ASN A 12 3.171 20.348 21.956 1.00 0.00 O ATOM 161 CB ASN A 12 1.753 22.355 20.253 1.00 0.00 C ATOM 162 CG ASN A 12 3.232 22.721 20.289 1.00 0.00 C ATOM 163 OD1 ASN A 12 3.899 22.763 19.255 1.00 0.00 O ATOM 164 ND2 ASN A 12 3.747 23.015 21.475 1.00 0.00 N ATOM 0 H ASN A 12 -0.166 19.883 19.407 1.00 0.00 H new ATOM 0 HA ASN A 12 2.023 20.348 19.507 1.00 0.00 H new ATOM 0 HB2 ASN A 12 1.312 22.756 19.340 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.249 22.840 21.089 1.00 0.00 H new ATOM 0 HD21 ASN A 12 4.727 23.287 21.552 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.163 22.969 22.310 1.00 0.00 H new ATOM 171 N SER A 13 1.108 19.558 22.354 1.00 0.00 N ATOM 172 CA SER A 13 1.422 19.025 23.683 1.00 0.00 C ATOM 173 C SER A 13 2.677 18.138 23.690 1.00 0.00 C ATOM 174 O SER A 13 3.759 18.591 24.067 1.00 0.00 O ATOM 175 CB SER A 13 0.222 18.234 24.208 1.00 0.00 C ATOM 176 OG SER A 13 -0.991 18.938 23.988 1.00 0.00 O ATOM 0 H SER A 13 0.156 19.365 22.042 1.00 0.00 H new ATOM 0 HA SER A 13 1.633 19.874 24.333 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.178 17.264 23.713 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.347 18.043 25.274 1.00 0.00 H new ATOM 0 HG SER A 13 -1.692 18.307 23.722 1.00 0.00 H new ATOM 182 N GLU A 14 2.528 16.893 23.238 1.00 0.00 N ATOM 183 CA GLU A 14 3.618 15.907 23.245 1.00 0.00 C ATOM 184 C GLU A 14 3.065 14.552 22.857 1.00 0.00 C ATOM 185 O GLU A 14 3.514 13.509 23.333 1.00 0.00 O ATOM 186 CB GLU A 14 4.269 15.801 24.624 1.00 0.00 C ATOM 187 CG GLU A 14 3.290 15.479 25.747 1.00 0.00 C ATOM 188 CD GLU A 14 3.984 15.204 27.061 1.00 0.00 C ATOM 189 OE1 GLU A 14 4.647 14.151 27.175 1.00 0.00 O ATOM 190 OE2 GLU A 14 3.865 16.030 27.990 1.00 0.00 O ATOM 0 H GLU A 14 1.652 16.536 22.857 1.00 0.00 H new ATOM 0 HA GLU A 14 4.375 16.233 22.532 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.038 15.029 24.593 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.771 16.742 24.851 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.599 16.313 25.872 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.694 14.611 25.466 1.00 0.00 H new ATOM 197 N TYR A 15 2.114 14.584 21.955 1.00 0.00 N ATOM 198 CA TYR A 15 1.359 13.400 21.623 1.00 0.00 C ATOM 199 C TYR A 15 1.548 13.017 20.173 1.00 0.00 C ATOM 200 O TYR A 15 0.693 12.382 19.578 1.00 0.00 O ATOM 201 CB TYR A 15 -0.115 13.613 21.946 1.00 0.00 C ATOM 202 CG TYR A 15 -0.395 13.616 23.430 1.00 0.00 C ATOM 203 CD1 TYR A 15 -0.644 12.432 24.112 1.00 0.00 C ATOM 204 CD2 TYR A 15 -0.395 14.800 24.151 1.00 0.00 C ATOM 205 CE1 TYR A 15 -0.886 12.430 25.472 1.00 0.00 C ATOM 206 CE2 TYR A 15 -0.637 14.807 25.509 1.00 0.00 C ATOM 207 CZ TYR A 15 -0.881 13.621 26.165 1.00 0.00 C ATOM 208 OH TYR A 15 -1.124 13.628 27.521 1.00 0.00 O ATOM 0 H TYR A 15 1.844 15.420 21.436 1.00 0.00 H new ATOM 0 HA TYR A 15 1.732 12.573 22.228 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.443 14.560 21.517 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.703 12.828 21.472 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -0.648 11.498 23.570 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.202 15.732 23.641 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.078 11.501 25.989 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.635 15.739 26.055 1.00 0.00 H new ATOM 0 HH TYR A 15 -1.083 14.548 27.856 1.00 0.00 H new ATOM 218 N THR A 16 2.660 13.417 19.593 1.00 0.00 N ATOM 219 CA THR A 16 2.985 12.960 18.255 1.00 0.00 C ATOM 220 C THR A 16 3.871 11.716 18.291 1.00 0.00 C ATOM 221 O THR A 16 4.857 11.657 19.027 1.00 0.00 O ATOM 222 CB THR A 16 3.667 14.064 17.434 1.00 0.00 C ATOM 223 OG1 THR A 16 3.831 15.244 18.236 1.00 0.00 O ATOM 224 CG2 THR A 16 2.839 14.392 16.199 1.00 0.00 C ATOM 0 H THR A 16 3.343 14.045 20.015 1.00 0.00 H new ATOM 0 HA THR A 16 2.043 12.701 17.771 1.00 0.00 H new ATOM 0 HB THR A 16 4.647 13.707 17.118 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.784 15.464 18.304 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.334 15.176 15.627 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.738 13.500 15.581 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.850 14.735 16.504 1.00 0.00 H new ATOM 232 N TYR A 17 3.495 10.721 17.499 1.00 0.00 N ATOM 233 CA TYR A 17 4.278 9.503 17.354 1.00 0.00 C ATOM 234 C TYR A 17 4.156 9.023 15.921 1.00 0.00 C ATOM 235 O TYR A 17 3.360 9.561 15.158 1.00 0.00 O ATOM 236 CB TYR A 17 3.821 8.398 18.326 1.00 0.00 C ATOM 237 CG TYR A 17 2.471 7.773 18.013 1.00 0.00 C ATOM 238 CD1 TYR A 17 1.282 8.349 18.449 1.00 0.00 C ATOM 239 CD2 TYR A 17 2.394 6.589 17.288 1.00 0.00 C ATOM 240 CE1 TYR A 17 0.062 7.763 18.167 1.00 0.00 C ATOM 241 CE2 TYR A 17 1.178 6.002 17.002 1.00 0.00 C ATOM 242 CZ TYR A 17 0.014 6.593 17.443 1.00 0.00 C ATOM 243 OH TYR A 17 -1.202 6.011 17.161 1.00 0.00 O ATOM 0 H TYR A 17 2.641 10.736 16.941 1.00 0.00 H new ATOM 0 HA TYR A 17 5.317 9.726 17.598 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.574 7.610 18.334 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.785 8.815 19.333 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.313 9.268 19.016 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.303 6.120 16.942 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.852 8.222 18.514 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.139 5.084 16.435 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.060 5.192 16.642 1.00 0.00 H new ATOM 253 N GLU A 18 4.933 8.032 15.544 1.00 0.00 N ATOM 254 CA GLU A 18 4.856 7.493 14.203 1.00 0.00 C ATOM 255 C GLU A 18 4.055 6.200 14.188 1.00 0.00 C ATOM 256 O GLU A 18 4.421 5.222 14.841 1.00 0.00 O ATOM 257 CB GLU A 18 6.261 7.240 13.646 1.00 0.00 C ATOM 258 CG GLU A 18 7.134 6.365 14.539 1.00 0.00 C ATOM 259 CD GLU A 18 7.853 7.141 15.620 1.00 0.00 C ATOM 260 OE1 GLU A 18 7.269 7.335 16.707 1.00 0.00 O ATOM 261 OE2 GLU A 18 9.010 7.553 15.385 1.00 0.00 O ATOM 0 H GLU A 18 5.624 7.583 16.145 1.00 0.00 H new ATOM 0 HA GLU A 18 4.351 8.225 13.573 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.173 6.769 12.667 1.00 0.00 H new ATOM 0 HB3 GLU A 18 6.759 8.198 13.495 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.513 5.599 15.004 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.869 5.849 13.922 1.00 0.00 H new ATOM 268 N ASP A 19 2.942 6.197 13.475 1.00 0.00 N ATOM 269 CA ASP A 19 2.205 4.972 13.239 1.00 0.00 C ATOM 270 C ASP A 19 2.220 4.660 11.749 1.00 0.00 C ATOM 271 O ASP A 19 1.214 4.815 11.054 1.00 0.00 O ATOM 272 CB ASP A 19 0.763 5.091 13.737 1.00 0.00 C ATOM 273 CG ASP A 19 0.041 3.758 13.737 1.00 0.00 C ATOM 274 OD1 ASP A 19 0.515 2.825 14.416 1.00 0.00 O ATOM 275 OD2 ASP A 19 -1.014 3.643 13.081 1.00 0.00 O ATOM 0 H ASP A 19 2.531 7.029 13.051 1.00 0.00 H new ATOM 0 HA ASP A 19 2.683 4.163 13.791 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.763 5.502 14.747 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.220 5.795 13.106 1.00 0.00 H new ATOM 280 N GLY A 20 3.386 4.286 11.249 1.00 0.00 N ATOM 281 CA GLY A 20 3.514 3.955 9.848 1.00 0.00 C ATOM 282 C GLY A 20 4.169 5.058 9.038 1.00 0.00 C ATOM 283 O GLY A 20 5.340 5.378 9.242 1.00 0.00 O ATOM 0 H GLY A 20 4.247 4.206 11.790 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.099 3.041 9.748 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.526 3.747 9.437 1.00 0.00 H new ATOM 287 N ALA A 21 3.403 5.662 8.140 1.00 0.00 N ATOM 288 CA ALA A 21 3.945 6.626 7.187 1.00 0.00 C ATOM 289 C ALA A 21 3.527 8.052 7.530 1.00 0.00 C ATOM 290 O ALA A 21 3.595 8.949 6.691 1.00 0.00 O ATOM 291 CB ALA A 21 3.490 6.270 5.782 1.00 0.00 C ATOM 0 H ALA A 21 2.400 5.502 8.050 1.00 0.00 H new ATOM 0 HA ALA A 21 5.033 6.580 7.241 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.897 6.992 5.074 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.845 5.272 5.527 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.401 6.291 5.736 1.00 0.00 H new ATOM 297 N LEU A 22 3.110 8.262 8.766 1.00 0.00 N ATOM 298 CA LEU A 22 2.688 9.580 9.206 1.00 0.00 C ATOM 299 C LEU A 22 2.851 9.712 10.712 1.00 0.00 C ATOM 300 O LEU A 22 3.402 8.830 11.360 1.00 0.00 O ATOM 301 CB LEU A 22 1.234 9.861 8.813 1.00 0.00 C ATOM 302 CG LEU A 22 0.163 9.214 9.697 1.00 0.00 C ATOM 303 CD1 LEU A 22 -1.200 9.771 9.343 1.00 0.00 C ATOM 304 CD2 LEU A 22 0.167 7.698 9.560 1.00 0.00 C ATOM 0 H LEU A 22 3.055 7.538 9.482 1.00 0.00 H new ATOM 0 HA LEU A 22 3.323 10.314 8.710 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.079 10.940 8.819 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.084 9.523 7.788 1.00 0.00 H new ATOM 0 HG LEU A 22 0.392 9.451 10.736 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.958 9.307 9.975 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.205 10.849 9.502 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.420 9.558 8.297 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.605 7.273 10.201 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.031 7.426 8.523 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.141 7.308 9.857 1.00 0.00 H new ATOM 316 N LEU A 23 2.400 10.832 11.247 1.00 0.00 N ATOM 317 CA LEU A 23 2.397 11.066 12.681 1.00 0.00 C ATOM 318 C LEU A 23 0.957 11.138 13.176 1.00 0.00 C ATOM 319 O LEU A 23 0.106 11.749 12.532 1.00 0.00 O ATOM 320 CB LEU A 23 3.119 12.372 13.004 1.00 0.00 C ATOM 321 CG LEU A 23 4.455 12.569 12.292 1.00 0.00 C ATOM 322 CD1 LEU A 23 5.042 13.920 12.644 1.00 0.00 C ATOM 323 CD2 LEU A 23 5.425 11.454 12.644 1.00 0.00 C ATOM 0 H LEU A 23 2.025 11.606 10.699 1.00 0.00 H new ATOM 0 HA LEU A 23 2.916 10.247 13.179 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.463 13.204 12.748 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.288 12.419 14.080 1.00 0.00 H new ATOM 0 HG LEU A 23 4.281 12.535 11.217 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.995 14.048 12.130 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.354 14.707 12.335 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.200 13.979 13.721 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.370 11.616 12.125 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.599 11.449 13.720 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.004 10.496 12.340 1.00 0.00 H new ATOM 335 N VAL A 24 0.672 10.511 14.302 1.00 0.00 N ATOM 336 CA VAL A 24 -0.677 10.475 14.832 1.00 0.00 C ATOM 337 C VAL A 24 -0.715 11.085 16.229 1.00 0.00 C ATOM 338 O VAL A 24 0.165 10.820 17.040 1.00 0.00 O ATOM 339 CB VAL A 24 -1.180 9.020 14.924 1.00 0.00 C ATOM 340 CG1 VAL A 24 -2.619 8.977 15.396 1.00 0.00 C ATOM 341 CG2 VAL A 24 -1.010 8.297 13.596 1.00 0.00 C ATOM 0 H VAL A 24 1.361 10.017 14.869 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.316 11.047 14.159 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.572 8.497 15.662 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.952 7.941 15.453 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.693 9.437 16.382 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.249 9.522 14.693 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.373 7.273 13.690 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.580 8.815 12.824 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.045 8.284 13.321 1.00 0.00 H new ATOM 351 N CYS A 25 -1.716 11.906 16.509 1.00 0.00 N ATOM 352 CA CYS A 25 -1.902 12.429 17.853 1.00 0.00 C ATOM 353 C CYS A 25 -3.027 11.686 18.559 1.00 0.00 C ATOM 354 O CYS A 25 -4.204 11.900 18.252 1.00 0.00 O ATOM 355 CB CYS A 25 -2.224 13.923 17.816 1.00 0.00 C ATOM 356 SG CYS A 25 -2.497 14.670 19.462 1.00 0.00 S ATOM 0 H CYS A 25 -2.407 12.222 15.829 1.00 0.00 H new ATOM 0 HA CYS A 25 -0.972 12.283 18.402 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -1.406 14.448 17.322 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -3.115 14.077 17.207 1.00 0.00 H new ATOM 361 N PRO A 26 -2.688 10.793 19.503 1.00 0.00 N ATOM 362 CA PRO A 26 -3.679 10.070 20.295 1.00 0.00 C ATOM 363 C PRO A 26 -4.536 11.018 21.125 1.00 0.00 C ATOM 364 O PRO A 26 -5.677 10.704 21.462 1.00 0.00 O ATOM 365 CB PRO A 26 -2.840 9.169 21.210 1.00 0.00 C ATOM 366 CG PRO A 26 -1.485 9.780 21.214 1.00 0.00 C ATOM 367 CD PRO A 26 -1.318 10.400 19.860 1.00 0.00 C ATOM 0 HA PRO A 26 -4.375 9.514 19.667 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.258 9.129 22.216 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -2.810 8.145 20.837 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.395 10.528 22.001 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.717 9.029 21.399 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.647 11.258 19.890 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.901 9.694 19.142 1.00 0.00 H new ATOM 375 N GLU A 27 -3.985 12.191 21.437 1.00 0.00 N ATOM 376 CA GLU A 27 -4.702 13.168 22.239 1.00 0.00 C ATOM 377 C GLU A 27 -5.874 13.750 21.463 1.00 0.00 C ATOM 378 O GLU A 27 -7.017 13.638 21.903 1.00 0.00 O ATOM 379 CB GLU A 27 -3.782 14.290 22.736 1.00 0.00 C ATOM 380 CG GLU A 27 -4.517 15.336 23.567 1.00 0.00 C ATOM 381 CD GLU A 27 -3.595 16.314 24.270 1.00 0.00 C ATOM 382 OE1 GLU A 27 -3.027 17.198 23.600 1.00 0.00 O ATOM 383 OE2 GLU A 27 -3.461 16.224 25.508 1.00 0.00 O ATOM 0 H GLU A 27 -3.051 12.481 21.147 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.085 12.644 23.115 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.980 13.857 23.333 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.315 14.776 21.879 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.195 15.891 22.919 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.131 14.830 24.312 1.00 0.00 H new ATOM 390 N CYS A 28 -5.619 14.373 20.310 1.00 0.00 N ATOM 391 CA CYS A 28 -6.683 14.972 19.521 1.00 0.00 C ATOM 392 C CYS A 28 -7.504 13.935 18.765 1.00 0.00 C ATOM 393 O CYS A 28 -8.535 14.283 18.187 1.00 0.00 O ATOM 394 CB CYS A 28 -6.086 15.944 18.492 1.00 0.00 C ATOM 395 SG CYS A 28 -5.176 17.372 19.183 1.00 0.00 S ATOM 0 H CYS A 28 -4.687 14.472 19.908 1.00 0.00 H new ATOM 0 HA CYS A 28 -7.337 15.490 20.222 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -5.411 15.387 17.842 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -6.894 16.321 17.864 1.00 0.00 H new ATOM 400 N ALA A 29 -7.063 12.672 18.752 1.00 0.00 N ATOM 401 CA ALA A 29 -7.700 11.644 17.933 1.00 0.00 C ATOM 402 C ALA A 29 -7.683 12.019 16.452 1.00 0.00 C ATOM 403 O ALA A 29 -8.643 11.769 15.718 1.00 0.00 O ATOM 404 CB ALA A 29 -9.118 11.384 18.414 1.00 0.00 C ATOM 0 H ALA A 29 -6.269 12.341 19.300 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.126 10.724 18.042 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.578 10.615 17.793 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.095 11.047 19.450 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.700 12.303 18.344 1.00 0.00 H new ATOM 410 N HIS A 30 -6.573 12.595 16.015 1.00 0.00 N ATOM 411 CA HIS A 30 -6.426 13.022 14.632 1.00 0.00 C ATOM 412 C HIS A 30 -4.965 12.918 14.220 1.00 0.00 C ATOM 413 O HIS A 30 -4.073 13.294 14.980 1.00 0.00 O ATOM 414 CB HIS A 30 -6.912 14.465 14.471 1.00 0.00 C ATOM 415 CG HIS A 30 -7.284 14.844 13.067 1.00 0.00 C ATOM 416 ND1 HIS A 30 -6.361 15.120 12.079 1.00 0.00 N ATOM 417 CD2 HIS A 30 -8.500 15.023 12.500 1.00 0.00 C ATOM 418 CE1 HIS A 30 -6.995 15.456 10.971 1.00 0.00 C ATOM 419 NE2 HIS A 30 -8.293 15.404 11.198 1.00 0.00 N ATOM 0 H HIS A 30 -5.758 12.778 16.601 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.028 12.376 13.993 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -7.777 14.618 15.116 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -6.130 15.139 14.821 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -5.348 15.072 12.188 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -9.457 14.890 12.983 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.529 15.728 10.035 1.00 0.00 H new ATOM 428 N GLU A 31 -4.725 12.409 13.025 1.00 0.00 N ATOM 429 CA GLU A 31 -3.368 12.236 12.524 1.00 0.00 C ATOM 430 C GLU A 31 -3.015 13.310 11.499 1.00 0.00 C ATOM 431 O GLU A 31 -3.862 14.130 11.131 1.00 0.00 O ATOM 432 CB GLU A 31 -3.188 10.835 11.924 1.00 0.00 C ATOM 433 CG GLU A 31 -4.443 10.237 11.294 1.00 0.00 C ATOM 434 CD GLU A 31 -5.077 11.122 10.240 1.00 0.00 C ATOM 435 OE1 GLU A 31 -4.609 11.115 9.082 1.00 0.00 O ATOM 436 OE2 GLU A 31 -6.058 11.823 10.571 1.00 0.00 O ATOM 0 H GLU A 31 -5.454 12.106 12.379 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.685 12.342 13.367 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.405 10.878 11.167 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.837 10.163 12.707 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.191 9.276 10.845 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.174 10.040 12.078 1.00 0.00 H new ATOM 443 N TRP A 32 -1.762 13.309 11.058 1.00 0.00 N ATOM 444 CA TRP A 32 -1.281 14.275 10.079 1.00 0.00 C ATOM 445 C TRP A 32 0.070 13.826 9.541 1.00 0.00 C ATOM 446 O TRP A 32 0.730 12.986 10.138 1.00 0.00 O ATOM 447 CB TRP A 32 -1.159 15.671 10.707 1.00 0.00 C ATOM 448 CG TRP A 32 0.160 15.931 11.382 1.00 0.00 C ATOM 449 CD1 TRP A 32 0.743 15.183 12.360 1.00 0.00 C ATOM 450 CD2 TRP A 32 1.056 17.020 11.124 1.00 0.00 C ATOM 451 NE1 TRP A 32 1.952 15.733 12.721 1.00 0.00 N ATOM 452 CE2 TRP A 32 2.163 16.863 11.980 1.00 0.00 C ATOM 453 CE3 TRP A 32 1.031 18.111 10.251 1.00 0.00 C ATOM 454 CZ2 TRP A 32 3.232 17.754 11.987 1.00 0.00 C ATOM 455 CZ3 TRP A 32 2.093 18.996 10.261 1.00 0.00 C ATOM 456 CH2 TRP A 32 3.180 18.812 11.124 1.00 0.00 C ATOM 0 H TRP A 32 -1.055 12.642 11.367 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.998 14.330 9.260 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -1.311 16.421 9.931 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -1.959 15.800 11.436 1.00 0.00 H new ATOM 0 HD1 TRP A 32 0.318 14.288 12.790 1.00 0.00 H new ATOM 0 HE1 TRP A 32 2.587 15.359 13.426 1.00 0.00 H new ATOM 0 HE3 TRP A 32 0.197 18.260 9.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 4.072 17.614 12.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 2.084 19.844 9.592 1.00 0.00 H new ATOM 0 HH2 TRP A 32 3.994 19.521 11.107 1.00 0.00 H new ATOM 467 N SER A 33 0.468 14.364 8.414 1.00 0.00 N ATOM 468 CA SER A 33 1.779 14.080 7.869 1.00 0.00 C ATOM 469 C SER A 33 2.685 15.293 8.062 1.00 0.00 C ATOM 470 O SER A 33 2.273 16.423 7.810 1.00 0.00 O ATOM 471 CB SER A 33 1.671 13.708 6.390 1.00 0.00 C ATOM 472 OG SER A 33 2.911 13.241 5.893 1.00 0.00 O ATOM 0 H SER A 33 -0.096 15.003 7.853 1.00 0.00 H new ATOM 0 HA SER A 33 2.213 13.231 8.397 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.910 12.939 6.259 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.349 14.576 5.815 1.00 0.00 H new ATOM 0 HG SER A 33 2.779 12.383 5.437 1.00 0.00 H new ATOM 478 N PRO A 34 3.931 15.073 8.511 1.00 0.00 N ATOM 479 CA PRO A 34 4.854 16.158 8.862 1.00 0.00 C ATOM 480 C PRO A 34 5.123 17.107 7.698 1.00 0.00 C ATOM 481 O PRO A 34 4.974 18.320 7.827 1.00 0.00 O ATOM 482 CB PRO A 34 6.143 15.432 9.271 1.00 0.00 C ATOM 483 CG PRO A 34 6.011 14.049 8.730 1.00 0.00 C ATOM 484 CD PRO A 34 4.541 13.750 8.703 1.00 0.00 C ATOM 0 HA PRO A 34 4.440 16.789 9.648 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.021 15.931 8.862 1.00 0.00 H new ATOM 0 HB3 PRO A 34 6.259 15.420 10.355 1.00 0.00 H new ATOM 0 HG2 PRO A 34 6.441 13.979 7.731 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.543 13.333 9.357 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.284 13.067 7.893 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.208 13.284 9.630 1.00 0.00 H new ATOM 492 N ASN A 35 5.511 16.551 6.558 1.00 0.00 N ATOM 493 CA ASN A 35 5.852 17.373 5.400 1.00 0.00 C ATOM 494 C ASN A 35 4.994 17.029 4.191 1.00 0.00 C ATOM 495 O ASN A 35 4.851 17.840 3.277 1.00 0.00 O ATOM 496 CB ASN A 35 7.333 17.216 5.040 1.00 0.00 C ATOM 497 CG ASN A 35 8.267 17.822 6.075 1.00 0.00 C ATOM 498 OD1 ASN A 35 9.380 17.336 6.278 1.00 0.00 O ATOM 499 ND2 ASN A 35 7.831 18.884 6.737 1.00 0.00 N ATOM 0 H ASN A 35 5.598 15.546 6.409 1.00 0.00 H new ATOM 0 HA ASN A 35 5.655 18.409 5.675 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.563 16.156 4.928 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.517 17.686 4.074 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.423 19.325 7.440 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.903 19.260 6.543 1.00 0.00 H new ATOM 506 N GLU A 36 4.409 15.839 4.192 1.00 0.00 N ATOM 507 CA GLU A 36 3.648 15.368 3.039 1.00 0.00 C ATOM 508 C GLU A 36 2.236 15.948 3.039 1.00 0.00 C ATOM 509 O GLU A 36 1.534 15.885 2.032 1.00 0.00 O ATOM 510 CB GLU A 36 3.575 13.841 3.036 1.00 0.00 C ATOM 511 CG GLU A 36 4.924 13.157 3.196 1.00 0.00 C ATOM 512 CD GLU A 36 5.896 13.508 2.092 1.00 0.00 C ATOM 513 OE1 GLU A 36 5.727 13.006 0.965 1.00 0.00 O ATOM 514 OE2 GLU A 36 6.844 14.279 2.349 1.00 0.00 O ATOM 0 H GLU A 36 4.445 15.184 4.973 1.00 0.00 H new ATOM 0 HA GLU A 36 4.163 15.706 2.140 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.917 13.517 3.843 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.120 13.511 2.102 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.356 13.437 4.157 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.778 12.077 3.215 1.00 0.00 H new ATOM 521 N ALA A 37 1.830 16.514 4.171 1.00 0.00 N ATOM 522 CA ALA A 37 0.483 17.056 4.323 1.00 0.00 C ATOM 523 C ALA A 37 0.198 18.144 3.294 1.00 0.00 C ATOM 524 O ALA A 37 -0.780 18.064 2.551 1.00 0.00 O ATOM 525 CB ALA A 37 0.283 17.602 5.727 1.00 0.00 C ATOM 0 H ALA A 37 2.417 16.610 5.000 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.220 16.240 4.155 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.727 18.002 5.822 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.426 16.801 6.453 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.006 18.395 5.915 1.00 0.00 H new ATOM 531 N ALA A 38 1.063 19.150 3.251 1.00 0.00 N ATOM 532 CA ALA A 38 0.878 20.279 2.352 1.00 0.00 C ATOM 533 C ALA A 38 1.051 19.853 0.898 1.00 0.00 C ATOM 534 O ALA A 38 0.154 20.036 0.076 1.00 0.00 O ATOM 535 CB ALA A 38 1.848 21.395 2.704 1.00 0.00 C ATOM 0 H ALA A 38 1.901 19.206 3.830 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.140 20.651 2.472 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.700 22.234 2.024 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.670 21.722 3.728 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.871 21.030 2.612 1.00 0.00 H new ATOM 541 N THR A 39 2.205 19.282 0.585 1.00 0.00 N ATOM 542 CA THR A 39 2.472 18.800 -0.759 1.00 0.00 C ATOM 543 C THR A 39 3.264 17.497 -0.740 1.00 0.00 C ATOM 544 O THR A 39 4.361 17.425 -0.185 1.00 0.00 O ATOM 545 CB THR A 39 3.225 19.853 -1.595 1.00 0.00 C ATOM 546 OG1 THR A 39 3.887 20.791 -0.733 1.00 0.00 O ATOM 547 CG2 THR A 39 2.276 20.594 -2.524 1.00 0.00 C ATOM 0 H THR A 39 2.970 19.142 1.245 1.00 0.00 H new ATOM 0 HA THR A 39 1.504 18.611 -1.223 1.00 0.00 H new ATOM 0 HB THR A 39 3.967 19.332 -2.201 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.363 21.454 -1.275 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.834 21.331 -3.102 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.802 19.884 -3.202 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.510 21.099 -1.935 1.00 0.00 H new ATOM 555 N ALA A 40 2.681 16.467 -1.334 1.00 0.00 N ATOM 556 CA ALA A 40 3.333 15.173 -1.475 1.00 0.00 C ATOM 557 C ALA A 40 3.081 14.628 -2.872 1.00 0.00 C ATOM 558 O ALA A 40 2.980 13.417 -3.078 1.00 0.00 O ATOM 559 CB ALA A 40 2.818 14.202 -0.426 1.00 0.00 C ATOM 0 H ALA A 40 1.743 16.504 -1.732 1.00 0.00 H new ATOM 0 HA ALA A 40 4.406 15.295 -1.327 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.316 13.240 -0.546 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.026 14.597 0.568 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.743 14.072 -0.547 1.00 0.00 H new ATOM 565 N SER A 41 2.990 15.538 -3.830 1.00 0.00 N ATOM 566 CA SER A 41 2.643 15.183 -5.194 1.00 0.00 C ATOM 567 C SER A 41 3.772 14.419 -5.882 1.00 0.00 C ATOM 568 O SER A 41 4.792 14.993 -6.273 1.00 0.00 O ATOM 569 CB SER A 41 2.290 16.442 -5.980 1.00 0.00 C ATOM 570 OG SER A 41 1.243 17.150 -5.338 1.00 0.00 O ATOM 0 H SER A 41 3.153 16.534 -3.684 1.00 0.00 H new ATOM 0 HA SER A 41 1.776 14.522 -5.164 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.169 17.081 -6.068 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.988 16.173 -6.992 1.00 0.00 H new ATOM 0 HG SER A 41 1.029 17.956 -5.853 1.00 0.00 H new ATOM 576 N ASP A 42 3.583 13.115 -6.002 1.00 0.00 N ATOM 577 CA ASP A 42 4.531 12.247 -6.691 1.00 0.00 C ATOM 578 C ASP A 42 3.819 11.550 -7.839 1.00 0.00 C ATOM 579 O ASP A 42 4.391 10.728 -8.553 1.00 0.00 O ATOM 580 CB ASP A 42 5.108 11.224 -5.703 1.00 0.00 C ATOM 581 CG ASP A 42 6.229 10.376 -6.284 1.00 0.00 C ATOM 582 OD1 ASP A 42 7.379 10.867 -6.346 1.00 0.00 O ATOM 583 OD2 ASP A 42 5.975 9.210 -6.657 1.00 0.00 O ATOM 0 H ASP A 42 2.770 12.627 -5.626 1.00 0.00 H new ATOM 0 HA ASP A 42 5.356 12.836 -7.092 1.00 0.00 H new ATOM 0 HB2 ASP A 42 5.481 11.751 -4.825 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.306 10.568 -5.364 1.00 0.00 H new ATOM 588 N ASP A 43 2.562 11.939 -8.012 1.00 0.00 N ATOM 589 CA ASP A 43 1.650 11.317 -8.971 1.00 0.00 C ATOM 590 C ASP A 43 1.384 9.875 -8.562 1.00 0.00 C ATOM 591 O ASP A 43 2.152 8.969 -8.889 1.00 0.00 O ATOM 592 CB ASP A 43 2.196 11.375 -10.405 1.00 0.00 C ATOM 593 CG ASP A 43 1.162 10.967 -11.441 1.00 0.00 C ATOM 594 OD1 ASP A 43 0.597 9.861 -11.333 1.00 0.00 O ATOM 595 OD2 ASP A 43 0.899 11.765 -12.366 1.00 0.00 O ATOM 0 H ASP A 43 2.140 12.704 -7.486 1.00 0.00 H new ATOM 0 HA ASP A 43 0.716 11.879 -8.960 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.539 12.387 -10.619 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.064 10.721 -10.486 1.00 0.00 H new ATOM 600 N GLY A 44 0.317 9.673 -7.808 1.00 0.00 N ATOM 601 CA GLY A 44 -0.015 8.342 -7.344 1.00 0.00 C ATOM 602 C GLY A 44 -1.067 7.679 -8.203 1.00 0.00 C ATOM 603 O GLY A 44 -1.369 6.505 -8.025 1.00 0.00 O ATOM 0 H GLY A 44 -0.326 10.406 -7.508 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.885 7.727 -7.337 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.371 8.397 -6.315 1.00 0.00 H new ATOM 607 N LYS A 45 -1.609 8.430 -9.150 1.00 0.00 N ATOM 608 CA LYS A 45 -2.689 7.932 -9.996 1.00 0.00 C ATOM 609 C LYS A 45 -2.169 6.939 -11.032 1.00 0.00 C ATOM 610 O LYS A 45 -2.936 6.151 -11.585 1.00 0.00 O ATOM 611 CB LYS A 45 -3.406 9.090 -10.693 1.00 0.00 C ATOM 612 CG LYS A 45 -2.475 9.975 -11.497 1.00 0.00 C ATOM 613 CD LYS A 45 -3.239 10.972 -12.345 1.00 0.00 C ATOM 614 CE LYS A 45 -2.293 11.856 -13.137 1.00 0.00 C ATOM 615 NZ LYS A 45 -1.274 11.058 -13.866 1.00 0.00 N ATOM 0 H LYS A 45 -1.320 9.387 -9.354 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.399 7.413 -9.352 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.174 8.688 -11.354 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.915 9.696 -9.944 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.807 10.509 -10.821 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.849 9.355 -12.139 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.902 10.440 -13.028 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.869 11.590 -11.706 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.863 12.454 -13.848 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.795 12.552 -12.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.122 11.468 -14.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.380 11.069 -13.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.606 10.077 -13.964 1.00 0.00 H new ATOM 629 N VAL A 46 -0.875 6.993 -11.316 1.00 0.00 N ATOM 630 CA VAL A 46 -0.266 6.023 -12.211 1.00 0.00 C ATOM 631 C VAL A 46 0.124 4.771 -11.429 1.00 0.00 C ATOM 632 O VAL A 46 0.881 4.836 -10.459 1.00 0.00 O ATOM 633 CB VAL A 46 0.967 6.598 -12.941 1.00 0.00 C ATOM 634 CG1 VAL A 46 1.554 5.570 -13.890 1.00 0.00 C ATOM 635 CG2 VAL A 46 0.598 7.862 -13.701 1.00 0.00 C ATOM 0 H VAL A 46 -0.233 7.692 -10.943 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.004 5.768 -12.972 1.00 0.00 H new ATOM 0 HB VAL A 46 1.718 6.849 -12.192 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.422 5.994 -14.395 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.857 4.687 -13.328 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.805 5.289 -14.631 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.480 8.252 -14.209 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.172 7.632 -14.437 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.221 8.609 -13.003 1.00 0.00 H new ATOM 645 N ILE A 47 -0.405 3.639 -11.861 1.00 0.00 N ATOM 646 CA ILE A 47 -0.251 2.382 -11.140 1.00 0.00 C ATOM 647 C ILE A 47 1.110 1.744 -11.454 1.00 0.00 C ATOM 648 O ILE A 47 1.574 1.784 -12.597 1.00 0.00 O ATOM 649 CB ILE A 47 -1.368 1.395 -11.513 1.00 0.00 C ATOM 650 CG1 ILE A 47 -2.692 2.141 -11.741 1.00 0.00 C ATOM 651 CG2 ILE A 47 -1.525 0.367 -10.405 1.00 0.00 C ATOM 652 CD1 ILE A 47 -3.228 2.850 -10.512 1.00 0.00 C ATOM 0 H ILE A 47 -0.952 3.563 -12.718 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.312 2.603 -10.074 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.100 0.887 -12.440 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.551 2.873 -12.536 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.440 1.430 -12.092 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.317 -0.334 -10.668 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.588 -0.176 -10.277 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.782 0.872 -9.474 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.164 3.351 -10.760 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.405 2.122 -9.720 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.501 3.588 -10.171 1.00 0.00 H new ATOM 664 N LYS A 48 1.749 1.179 -10.437 1.00 0.00 N ATOM 665 CA LYS A 48 3.066 0.561 -10.584 1.00 0.00 C ATOM 666 C LYS A 48 3.003 -0.951 -10.334 1.00 0.00 C ATOM 667 O LYS A 48 1.949 -1.483 -9.990 1.00 0.00 O ATOM 668 CB LYS A 48 4.031 1.223 -9.600 1.00 0.00 C ATOM 669 CG LYS A 48 5.294 1.756 -10.246 1.00 0.00 C ATOM 670 CD LYS A 48 5.752 3.043 -9.581 1.00 0.00 C ATOM 671 CE LYS A 48 4.743 4.157 -9.805 1.00 0.00 C ATOM 672 NZ LYS A 48 5.177 5.436 -9.187 1.00 0.00 N ATOM 0 H LYS A 48 1.373 1.135 -9.490 1.00 0.00 H new ATOM 0 HA LYS A 48 3.416 0.708 -11.606 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.517 2.043 -9.098 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.304 0.500 -8.832 1.00 0.00 H new ATOM 0 HG2 LYS A 48 6.084 1.008 -10.178 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.115 1.935 -11.306 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.886 2.877 -8.512 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.722 3.339 -9.981 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.597 4.303 -10.875 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.780 3.862 -9.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.460 6.168 -9.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.292 5.305 -8.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.084 5.732 -9.602 1.00 0.00 H new ATOM 686 N ASP A 49 4.131 -1.639 -10.515 1.00 0.00 N ATOM 687 CA ASP A 49 4.214 -3.084 -10.262 1.00 0.00 C ATOM 688 C ASP A 49 5.109 -3.386 -9.056 1.00 0.00 C ATOM 689 O ASP A 49 5.782 -2.501 -8.529 1.00 0.00 O ATOM 690 CB ASP A 49 4.798 -3.820 -11.470 1.00 0.00 C ATOM 691 CG ASP A 49 4.084 -3.563 -12.771 1.00 0.00 C ATOM 692 OD1 ASP A 49 3.037 -4.184 -13.012 1.00 0.00 O ATOM 693 OD2 ASP A 49 4.621 -2.777 -13.580 1.00 0.00 O ATOM 0 H ASP A 49 5.004 -1.220 -10.837 1.00 0.00 H new ATOM 0 HA ASP A 49 3.197 -3.425 -10.067 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.843 -3.533 -11.582 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.782 -4.891 -11.268 1.00 0.00 H new ATOM 698 N SER A 50 5.123 -4.658 -8.648 1.00 0.00 N ATOM 699 CA SER A 50 5.994 -5.114 -7.553 1.00 0.00 C ATOM 700 C SER A 50 7.447 -5.211 -8.023 1.00 0.00 C ATOM 701 O SER A 50 8.374 -5.411 -7.240 1.00 0.00 O ATOM 702 CB SER A 50 5.526 -6.470 -7.050 1.00 0.00 C ATOM 703 OG SER A 50 5.580 -7.427 -8.088 1.00 0.00 O ATOM 0 H SER A 50 4.544 -5.391 -9.056 1.00 0.00 H new ATOM 0 HA SER A 50 5.938 -4.388 -6.742 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.152 -6.792 -6.218 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.507 -6.392 -6.671 1.00 0.00 H new ATOM 0 HG SER A 50 4.932 -7.191 -8.784 1.00 0.00 H new ATOM 709 N VAL A 51 7.603 -5.045 -9.318 1.00 0.00 N ATOM 710 CA VAL A 51 8.891 -5.208 -9.976 1.00 0.00 C ATOM 711 C VAL A 51 9.650 -3.892 -9.988 1.00 0.00 C ATOM 712 O VAL A 51 10.842 -3.831 -10.298 1.00 0.00 O ATOM 713 CB VAL A 51 8.705 -5.706 -11.408 1.00 0.00 C ATOM 714 CG1 VAL A 51 9.985 -6.318 -11.931 1.00 0.00 C ATOM 715 CG2 VAL A 51 7.559 -6.686 -11.467 1.00 0.00 C ATOM 0 H VAL A 51 6.843 -4.793 -9.950 1.00 0.00 H new ATOM 0 HA VAL A 51 9.465 -5.947 -9.417 1.00 0.00 H new ATOM 0 HB VAL A 51 8.462 -4.860 -12.050 1.00 0.00 H new ATOM 0 HG11 VAL A 51 9.831 -6.666 -12.952 1.00 0.00 H new ATOM 0 HG12 VAL A 51 10.778 -5.570 -11.918 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.270 -7.160 -11.300 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.432 -7.037 -12.491 1.00 0.00 H new ATOM 0 HG22 VAL A 51 7.772 -7.534 -10.817 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.644 -6.196 -11.136 1.00 0.00 H new ATOM 725 N GLY A 52 8.939 -2.846 -9.633 1.00 0.00 N ATOM 726 CA GLY A 52 9.517 -1.519 -9.606 1.00 0.00 C ATOM 727 C GLY A 52 9.240 -0.762 -10.881 1.00 0.00 C ATOM 728 O GLY A 52 9.614 0.404 -11.022 1.00 0.00 O ATOM 0 H GLY A 52 7.958 -2.887 -9.358 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.114 -0.964 -8.759 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.594 -1.594 -9.455 1.00 0.00 H new ATOM 732 N ASN A 53 8.581 -1.427 -11.818 1.00 0.00 N ATOM 733 CA ASN A 53 8.254 -0.802 -13.087 1.00 0.00 C ATOM 734 C ASN A 53 6.891 -0.141 -13.048 1.00 0.00 C ATOM 735 O ASN A 53 6.086 -0.371 -12.149 1.00 0.00 O ATOM 736 CB ASN A 53 8.308 -1.792 -14.258 1.00 0.00 C ATOM 737 CG ASN A 53 8.292 -3.241 -13.830 1.00 0.00 C ATOM 738 OD1 ASN A 53 9.341 -3.863 -13.694 1.00 0.00 O ATOM 739 ND2 ASN A 53 7.112 -3.790 -13.600 1.00 0.00 N ATOM 0 H ASN A 53 8.265 -2.392 -11.723 1.00 0.00 H new ATOM 0 HA ASN A 53 9.016 -0.040 -13.250 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.460 -1.608 -14.917 1.00 0.00 H new ATOM 0 HB3 ASN A 53 9.210 -1.604 -14.840 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.052 -4.763 -13.299 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.261 -3.241 -13.724 1.00 0.00 H new ATOM 746 N VAL A 54 6.673 0.668 -14.058 1.00 0.00 N ATOM 747 CA VAL A 54 5.449 1.439 -14.190 1.00 0.00 C ATOM 748 C VAL A 54 4.704 1.015 -15.439 1.00 0.00 C ATOM 749 O VAL A 54 5.315 0.784 -16.485 1.00 0.00 O ATOM 750 CB VAL A 54 5.707 2.958 -14.230 1.00 0.00 C ATOM 751 CG1 VAL A 54 4.400 3.718 -14.070 1.00 0.00 C ATOM 752 CG2 VAL A 54 6.698 3.370 -13.154 1.00 0.00 C ATOM 0 H VAL A 54 7.339 0.814 -14.817 1.00 0.00 H new ATOM 0 HA VAL A 54 4.846 1.235 -13.305 1.00 0.00 H new ATOM 0 HB VAL A 54 6.140 3.206 -15.199 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.596 4.790 -14.100 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.722 3.450 -14.880 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.943 3.459 -13.115 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.863 4.446 -13.204 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.300 3.109 -12.173 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.643 2.851 -13.312 1.00 0.00 H new ATOM 762 N LEU A 55 3.391 0.922 -15.342 1.00 0.00 N ATOM 763 CA LEU A 55 2.592 0.402 -16.425 1.00 0.00 C ATOM 764 C LEU A 55 2.066 1.530 -17.287 1.00 0.00 C ATOM 765 O LEU A 55 2.217 2.710 -16.959 1.00 0.00 O ATOM 766 CB LEU A 55 1.435 -0.408 -15.844 1.00 0.00 C ATOM 767 CG LEU A 55 1.889 -1.570 -14.974 1.00 0.00 C ATOM 768 CD1 LEU A 55 0.811 -2.030 -14.018 1.00 0.00 C ATOM 769 CD2 LEU A 55 2.360 -2.717 -15.840 1.00 0.00 C ATOM 0 H LEU A 55 2.858 1.202 -14.519 1.00 0.00 H new ATOM 0 HA LEU A 55 3.208 -0.241 -17.053 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.800 0.252 -15.253 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.824 -0.792 -16.661 1.00 0.00 H new ATOM 0 HG LEU A 55 2.721 -1.215 -14.365 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.185 -2.861 -13.420 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.532 -1.207 -13.361 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.063 -2.355 -14.583 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.683 -3.543 -15.206 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.543 -3.049 -16.480 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.195 -2.387 -16.459 1.00 0.00 H new ATOM 781 N GLN A 56 1.446 1.162 -18.383 1.00 0.00 N ATOM 782 CA GLN A 56 0.840 2.122 -19.273 1.00 0.00 C ATOM 783 C GLN A 56 -0.583 1.680 -19.546 1.00 0.00 C ATOM 784 O GLN A 56 -0.872 0.482 -19.518 1.00 0.00 O ATOM 785 CB GLN A 56 1.625 2.213 -20.580 1.00 0.00 C ATOM 786 CG GLN A 56 1.206 3.379 -21.454 1.00 0.00 C ATOM 787 CD GLN A 56 1.707 3.250 -22.871 1.00 0.00 C ATOM 788 OE1 GLN A 56 2.804 3.702 -23.203 1.00 0.00 O ATOM 789 NE2 GLN A 56 0.898 2.640 -23.717 1.00 0.00 N ATOM 0 H GLN A 56 1.348 0.192 -18.682 1.00 0.00 H new ATOM 0 HA GLN A 56 0.846 3.110 -18.812 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.687 2.303 -20.352 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.496 1.286 -21.138 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.118 3.450 -21.462 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.583 4.306 -21.022 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.001 2.282 -23.395 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.172 2.526 -24.693 1.00 0.00 H new ATOM 798 N ASP A 57 -1.467 2.624 -19.802 1.00 0.00 N ATOM 799 CA ASP A 57 -2.858 2.301 -20.055 1.00 0.00 C ATOM 800 C ASP A 57 -2.991 1.594 -21.398 1.00 0.00 C ATOM 801 O ASP A 57 -3.019 2.230 -22.452 1.00 0.00 O ATOM 802 CB ASP A 57 -3.709 3.568 -20.033 1.00 0.00 C ATOM 803 CG ASP A 57 -5.182 3.260 -19.918 1.00 0.00 C ATOM 804 OD1 ASP A 57 -5.620 2.916 -18.807 1.00 0.00 O ATOM 805 OD2 ASP A 57 -5.907 3.356 -20.936 1.00 0.00 O ATOM 0 H ASP A 57 -1.248 3.619 -19.840 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.214 1.634 -19.270 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.404 4.195 -19.195 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.529 4.141 -20.942 1.00 0.00 H new ATOM 810 N GLY A 58 -3.019 0.273 -21.349 1.00 0.00 N ATOM 811 CA GLY A 58 -3.097 -0.518 -22.557 1.00 0.00 C ATOM 812 C GLY A 58 -1.966 -1.526 -22.652 1.00 0.00 C ATOM 813 O GLY A 58 -1.952 -2.369 -23.552 1.00 0.00 O ATOM 0 H GLY A 58 -2.989 -0.270 -20.486 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.052 -1.042 -22.586 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.068 0.141 -23.424 1.00 0.00 H new ATOM 817 N ASP A 59 -1.012 -1.426 -21.731 1.00 0.00 N ATOM 818 CA ASP A 59 0.133 -2.336 -21.692 1.00 0.00 C ATOM 819 C ASP A 59 -0.287 -3.724 -21.218 1.00 0.00 C ATOM 820 O ASP A 59 -1.438 -3.938 -20.831 1.00 0.00 O ATOM 821 CB ASP A 59 1.212 -1.786 -20.756 1.00 0.00 C ATOM 822 CG ASP A 59 2.618 -2.110 -21.226 1.00 0.00 C ATOM 823 OD1 ASP A 59 2.913 -3.297 -21.495 1.00 0.00 O ATOM 824 OD2 ASP A 59 3.432 -1.173 -21.342 1.00 0.00 O ATOM 0 H ASP A 59 -1.008 -0.719 -20.996 1.00 0.00 H new ATOM 0 HA ASP A 59 0.532 -2.417 -22.703 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.101 -0.705 -20.676 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.064 -2.196 -19.757 1.00 0.00 H new ATOM 829 N THR A 60 0.652 -4.656 -21.225 1.00 0.00 N ATOM 830 CA THR A 60 0.390 -6.024 -20.815 1.00 0.00 C ATOM 831 C THR A 60 0.995 -6.268 -19.443 1.00 0.00 C ATOM 832 O THR A 60 2.109 -5.831 -19.181 1.00 0.00 O ATOM 833 CB THR A 60 0.990 -7.023 -21.824 1.00 0.00 C ATOM 834 OG1 THR A 60 0.568 -6.689 -23.153 1.00 0.00 O ATOM 835 CG2 THR A 60 0.570 -8.447 -21.500 1.00 0.00 C ATOM 0 H THR A 60 1.615 -4.485 -21.515 1.00 0.00 H new ATOM 0 HA THR A 60 -0.689 -6.173 -20.777 1.00 0.00 H new ATOM 0 HB THR A 60 2.076 -6.960 -21.757 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.331 -6.341 -23.661 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.008 -9.130 -22.228 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.917 -8.710 -20.501 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.517 -8.524 -21.538 1.00 0.00 H new ATOM 843 N ILE A 61 0.266 -6.947 -18.566 1.00 0.00 N ATOM 844 CA ILE A 61 0.761 -7.213 -17.224 1.00 0.00 C ATOM 845 C ILE A 61 0.765 -8.712 -16.950 1.00 0.00 C ATOM 846 O ILE A 61 0.166 -9.489 -17.692 1.00 0.00 O ATOM 847 CB ILE A 61 -0.084 -6.483 -16.148 1.00 0.00 C ATOM 848 CG1 ILE A 61 -1.433 -7.178 -15.927 1.00 0.00 C ATOM 849 CG2 ILE A 61 -0.299 -5.030 -16.540 1.00 0.00 C ATOM 850 CD1 ILE A 61 -1.435 -8.130 -14.749 1.00 0.00 C ATOM 0 H ILE A 61 -0.663 -7.321 -18.759 1.00 0.00 H new ATOM 0 HA ILE A 61 1.781 -6.832 -17.168 1.00 0.00 H new ATOM 0 HB ILE A 61 0.469 -6.520 -15.210 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.202 -6.421 -15.774 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.702 -7.728 -16.829 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.894 -4.531 -15.775 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.666 -4.531 -16.632 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.824 -4.984 -17.494 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.420 -8.586 -14.651 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.689 -8.908 -14.909 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.197 -7.582 -13.838 1.00 0.00 H new ATOM 862 N THR A 62 1.472 -9.119 -15.914 1.00 0.00 N ATOM 863 CA THR A 62 1.471 -10.503 -15.483 1.00 0.00 C ATOM 864 C THR A 62 1.662 -10.600 -13.972 1.00 0.00 C ATOM 865 O THR A 62 2.607 -10.043 -13.418 1.00 0.00 O ATOM 866 CB THR A 62 2.565 -11.302 -16.221 1.00 0.00 C ATOM 867 OG1 THR A 62 2.091 -11.669 -17.523 1.00 0.00 O ATOM 868 CG2 THR A 62 2.984 -12.545 -15.454 1.00 0.00 C ATOM 0 H THR A 62 2.060 -8.504 -15.351 1.00 0.00 H new ATOM 0 HA THR A 62 0.502 -10.936 -15.732 1.00 0.00 H new ATOM 0 HB THR A 62 3.444 -10.663 -16.307 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.383 -11.051 -17.799 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.756 -13.074 -16.013 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.376 -12.256 -14.479 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.121 -13.198 -15.319 1.00 0.00 H new ATOM 876 N VAL A 63 0.732 -11.277 -13.315 1.00 0.00 N ATOM 877 CA VAL A 63 0.823 -11.523 -11.889 1.00 0.00 C ATOM 878 C VAL A 63 2.001 -12.451 -11.613 1.00 0.00 C ATOM 879 O VAL A 63 2.149 -13.498 -12.243 1.00 0.00 O ATOM 880 CB VAL A 63 -0.492 -12.134 -11.337 1.00 0.00 C ATOM 881 CG1 VAL A 63 -0.470 -13.645 -11.373 1.00 0.00 C ATOM 882 CG2 VAL A 63 -0.765 -11.650 -9.928 1.00 0.00 C ATOM 0 H VAL A 63 -0.101 -11.668 -13.755 1.00 0.00 H new ATOM 0 HA VAL A 63 0.980 -10.573 -11.379 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.298 -11.796 -11.988 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.409 -14.032 -10.978 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.342 -13.983 -12.402 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.358 -14.011 -10.766 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.692 -12.093 -9.564 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.058 -11.944 -9.276 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.857 -10.564 -9.928 1.00 0.00 H new ATOM 892 N ILE A 64 2.894 -12.018 -10.757 1.00 0.00 N ATOM 893 CA ILE A 64 4.048 -12.827 -10.412 1.00 0.00 C ATOM 894 C ILE A 64 3.864 -13.638 -9.135 1.00 0.00 C ATOM 895 O ILE A 64 4.848 -14.126 -8.580 1.00 0.00 O ATOM 896 CB ILE A 64 5.324 -11.960 -10.263 1.00 0.00 C ATOM 897 CG1 ILE A 64 5.240 -11.007 -9.060 1.00 0.00 C ATOM 898 CG2 ILE A 64 5.553 -11.162 -11.530 1.00 0.00 C ATOM 899 CD1 ILE A 64 4.412 -9.775 -9.294 1.00 0.00 C ATOM 0 H ILE A 64 2.849 -11.115 -10.286 1.00 0.00 H new ATOM 0 HA ILE A 64 4.159 -13.524 -11.242 1.00 0.00 H new ATOM 0 HB ILE A 64 6.161 -12.637 -10.090 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.826 -11.551 -8.211 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.249 -10.703 -8.783 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.451 -10.554 -11.420 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.677 -11.843 -12.372 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.696 -10.513 -11.711 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.409 -9.162 -8.393 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.835 -9.204 -10.120 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.390 -10.065 -9.539 1.00 0.00 H new ATOM 911 N LYS A 65 2.638 -13.824 -8.661 1.00 0.00 N ATOM 912 CA LYS A 65 2.415 -14.589 -7.441 1.00 0.00 C ATOM 913 C LYS A 65 1.127 -15.401 -7.572 1.00 0.00 C ATOM 914 O LYS A 65 0.335 -15.171 -8.487 1.00 0.00 O ATOM 915 CB LYS A 65 2.312 -13.662 -6.223 1.00 0.00 C ATOM 916 CG LYS A 65 3.650 -13.181 -5.681 1.00 0.00 C ATOM 917 CD LYS A 65 3.747 -11.664 -5.683 1.00 0.00 C ATOM 918 CE LYS A 65 4.928 -11.182 -4.855 1.00 0.00 C ATOM 919 NZ LYS A 65 5.099 -9.705 -4.930 1.00 0.00 N ATOM 0 H LYS A 65 1.791 -13.460 -9.098 1.00 0.00 H new ATOM 0 HA LYS A 65 3.263 -15.259 -7.297 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.710 -12.794 -6.493 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.779 -14.185 -5.429 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.786 -13.553 -4.665 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.457 -13.598 -6.283 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.849 -11.306 -6.707 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.825 -11.238 -5.287 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.786 -11.478 -3.816 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.838 -11.670 -5.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.453 -9.350 -4.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.780 -9.472 -5.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.183 -9.260 -5.143 1.00 0.00 H new ATOM 933 N ASP A 66 0.958 -16.388 -6.704 1.00 0.00 N ATOM 934 CA ASP A 66 -0.300 -17.129 -6.653 1.00 0.00 C ATOM 935 C ASP A 66 -1.349 -16.416 -5.806 1.00 0.00 C ATOM 936 O ASP A 66 -1.184 -16.201 -4.604 1.00 0.00 O ATOM 937 CB ASP A 66 -0.103 -18.580 -6.175 1.00 0.00 C ATOM 938 CG ASP A 66 0.113 -18.719 -4.681 1.00 0.00 C ATOM 939 OD1 ASP A 66 1.257 -18.537 -4.221 1.00 0.00 O ATOM 940 OD2 ASP A 66 -0.853 -19.050 -3.962 1.00 0.00 O ATOM 0 H ASP A 66 1.663 -16.693 -6.033 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.671 -17.169 -7.677 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.976 -19.166 -6.460 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.753 -19.009 -6.696 1.00 0.00 H new ATOM 945 N LEU A 67 -2.413 -16.018 -6.479 1.00 0.00 N ATOM 946 CA LEU A 67 -3.588 -15.440 -5.846 1.00 0.00 C ATOM 947 C LEU A 67 -4.821 -16.182 -6.353 1.00 0.00 C ATOM 948 O LEU A 67 -4.862 -16.601 -7.496 1.00 0.00 O ATOM 949 CB LEU A 67 -3.739 -13.949 -6.196 1.00 0.00 C ATOM 950 CG LEU A 67 -2.463 -13.102 -6.166 1.00 0.00 C ATOM 951 CD1 LEU A 67 -2.783 -11.656 -6.524 1.00 0.00 C ATOM 952 CD2 LEU A 67 -1.791 -13.179 -4.806 1.00 0.00 C ATOM 0 H LEU A 67 -2.488 -16.087 -7.494 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.481 -15.532 -4.765 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.172 -13.876 -7.193 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.456 -13.508 -5.504 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.769 -13.501 -6.906 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.868 -11.064 -6.499 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.214 -11.616 -7.524 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.496 -11.252 -5.805 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.888 -12.569 -4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.474 -12.809 -4.041 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.528 -14.214 -4.588 1.00 0.00 H new ATOM 964 N LYS A 68 -5.804 -16.383 -5.513 1.00 0.00 N ATOM 965 CA LYS A 68 -7.064 -16.955 -5.969 1.00 0.00 C ATOM 966 C LYS A 68 -8.039 -15.854 -6.361 1.00 0.00 C ATOM 967 O LYS A 68 -7.730 -14.670 -6.231 1.00 0.00 O ATOM 968 CB LYS A 68 -7.682 -17.846 -4.902 1.00 0.00 C ATOM 969 CG LYS A 68 -8.082 -17.101 -3.643 1.00 0.00 C ATOM 970 CD LYS A 68 -8.854 -18.001 -2.706 1.00 0.00 C ATOM 971 CE LYS A 68 -8.054 -19.245 -2.347 1.00 0.00 C ATOM 972 NZ LYS A 68 -6.790 -18.911 -1.637 1.00 0.00 N ATOM 0 H LYS A 68 -5.767 -16.165 -4.517 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.853 -17.569 -6.845 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.561 -18.339 -5.317 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.972 -18.630 -4.640 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.191 -16.724 -3.140 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.690 -16.235 -3.906 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.105 -17.453 -1.798 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.795 -18.293 -3.173 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.661 -19.897 -1.719 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.823 -19.802 -3.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.344 -19.785 -1.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.142 -18.426 -2.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.999 -18.288 -0.831 1.00 0.00 H new ATOM 986 N VAL A 69 -9.221 -16.240 -6.830 1.00 0.00 N ATOM 987 CA VAL A 69 -10.245 -15.276 -7.197 1.00 0.00 C ATOM 988 C VAL A 69 -11.542 -15.677 -6.507 1.00 0.00 C ATOM 989 O VAL A 69 -11.944 -16.840 -6.569 1.00 0.00 O ATOM 990 CB VAL A 69 -10.486 -15.206 -8.719 1.00 0.00 C ATOM 991 CG1 VAL A 69 -11.310 -13.980 -9.065 1.00 0.00 C ATOM 992 CG2 VAL A 69 -9.179 -15.202 -9.489 1.00 0.00 C ATOM 0 H VAL A 69 -9.491 -17.214 -6.964 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.905 -14.289 -6.882 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.039 -16.098 -9.012 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -11.473 -13.943 -10.142 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -12.272 -14.032 -8.554 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -10.779 -13.083 -8.747 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.387 -15.152 -10.558 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.585 -14.337 -9.194 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -8.625 -16.114 -9.269 1.00 0.00 H new ATOM 1002 N LYS A 70 -12.186 -14.734 -5.843 1.00 0.00 N ATOM 1003 CA LYS A 70 -13.335 -15.050 -5.012 1.00 0.00 C ATOM 1004 C LYS A 70 -14.602 -15.251 -5.848 1.00 0.00 C ATOM 1005 O LYS A 70 -15.189 -16.333 -5.841 1.00 0.00 O ATOM 1006 CB LYS A 70 -13.544 -13.949 -3.969 1.00 0.00 C ATOM 1007 CG LYS A 70 -14.417 -14.380 -2.805 1.00 0.00 C ATOM 1008 CD LYS A 70 -13.829 -15.592 -2.093 1.00 0.00 C ATOM 1009 CE LYS A 70 -12.532 -15.258 -1.371 1.00 0.00 C ATOM 1010 NZ LYS A 70 -11.988 -16.435 -0.641 1.00 0.00 N ATOM 0 H LYS A 70 -11.934 -13.746 -5.862 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.133 -15.992 -4.501 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.574 -13.631 -3.588 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.996 -13.083 -4.452 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -14.520 -13.555 -2.100 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.418 -14.617 -3.166 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.554 -15.978 -1.376 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.646 -16.385 -2.819 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.795 -14.905 -2.092 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.706 -14.443 -0.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.104 -16.168 -0.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.681 -16.757 0.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.798 -17.204 -1.315 1.00 0.00 H new ATOM 1024 N GLY A 71 -15.006 -14.224 -6.585 1.00 0.00 N ATOM 1025 CA GLY A 71 -16.240 -14.298 -7.355 1.00 0.00 C ATOM 1026 C GLY A 71 -16.016 -14.817 -8.763 1.00 0.00 C ATOM 1027 O GLY A 71 -16.626 -14.339 -9.718 1.00 0.00 O ATOM 0 H GLY A 71 -14.504 -13.340 -6.665 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -16.947 -14.948 -6.840 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -16.694 -13.308 -7.404 1.00 0.00 H new ATOM 1031 N SER A 72 -15.115 -15.775 -8.890 1.00 0.00 N ATOM 1032 CA SER A 72 -14.784 -16.345 -10.173 1.00 0.00 C ATOM 1033 C SER A 72 -14.483 -17.831 -10.025 1.00 0.00 C ATOM 1034 O SER A 72 -14.288 -18.319 -8.910 1.00 0.00 O ATOM 1035 CB SER A 72 -13.604 -15.612 -10.783 1.00 0.00 C ATOM 1036 OG SER A 72 -13.932 -14.260 -11.053 1.00 0.00 O ATOM 0 H SER A 72 -14.597 -16.175 -8.107 1.00 0.00 H new ATOM 0 HA SER A 72 -15.637 -16.234 -10.842 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.753 -15.655 -10.103 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.300 -16.108 -11.705 1.00 0.00 H new ATOM 0 HG SER A 72 -13.414 -13.945 -11.823 1.00 0.00 H new ATOM 1042 N SER A 73 -14.427 -18.540 -11.139 1.00 0.00 N ATOM 1043 CA SER A 73 -13.888 -19.889 -11.152 1.00 0.00 C ATOM 1044 C SER A 73 -12.419 -19.824 -11.565 1.00 0.00 C ATOM 1045 O SER A 73 -11.736 -20.840 -11.702 1.00 0.00 O ATOM 1046 CB SER A 73 -14.688 -20.772 -12.110 1.00 0.00 C ATOM 1047 OG SER A 73 -14.749 -20.196 -13.404 1.00 0.00 O ATOM 0 H SER A 73 -14.748 -18.204 -12.047 1.00 0.00 H new ATOM 0 HA SER A 73 -13.964 -20.330 -10.158 1.00 0.00 H new ATOM 0 HB2 SER A 73 -14.229 -21.759 -12.169 1.00 0.00 H new ATOM 0 HB3 SER A 73 -15.697 -20.913 -11.723 1.00 0.00 H new ATOM 0 HG SER A 73 -15.264 -20.780 -13.998 1.00 0.00 H new ATOM 1053 N LEU A 74 -11.956 -18.593 -11.754 1.00 0.00 N ATOM 1054 CA LEU A 74 -10.588 -18.309 -12.142 1.00 0.00 C ATOM 1055 C LEU A 74 -9.643 -18.406 -10.957 1.00 0.00 C ATOM 1056 O LEU A 74 -10.067 -18.562 -9.810 1.00 0.00 O ATOM 1057 CB LEU A 74 -10.480 -16.930 -12.794 1.00 0.00 C ATOM 1058 CG LEU A 74 -10.858 -16.874 -14.279 1.00 0.00 C ATOM 1059 CD1 LEU A 74 -12.358 -17.035 -14.469 1.00 0.00 C ATOM 1060 CD2 LEU A 74 -10.372 -15.575 -14.900 1.00 0.00 C ATOM 0 H LEU A 74 -12.530 -17.758 -11.640 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.294 -19.063 -12.872 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -11.120 -16.237 -12.247 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -9.456 -16.574 -12.683 1.00 0.00 H new ATOM 0 HG LEU A 74 -10.368 -17.705 -14.786 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -12.597 -16.991 -15.532 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -12.675 -17.997 -14.065 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.879 -16.233 -13.947 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -10.648 -15.550 -15.954 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -10.831 -14.731 -14.385 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -9.288 -15.511 -14.807 1.00 0.00 H new ATOM 1072 N VAL A 75 -8.363 -18.256 -11.254 1.00 0.00 N ATOM 1073 CA VAL A 75 -7.280 -18.557 -10.333 1.00 0.00 C ATOM 1074 C VAL A 75 -6.072 -17.771 -10.827 1.00 0.00 C ATOM 1075 O VAL A 75 -5.601 -17.992 -11.945 1.00 0.00 O ATOM 1076 CB VAL A 75 -6.917 -20.056 -10.258 1.00 0.00 C ATOM 1077 CG1 VAL A 75 -5.707 -20.261 -9.356 1.00 0.00 C ATOM 1078 CG2 VAL A 75 -8.084 -20.887 -9.750 1.00 0.00 C ATOM 0 H VAL A 75 -8.041 -17.915 -12.160 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.593 -18.283 -9.326 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.677 -20.389 -11.268 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.462 -21.322 -9.312 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.857 -19.708 -9.756 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.935 -19.899 -8.353 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.793 -21.937 -9.710 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.364 -20.550 -8.752 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.933 -20.771 -10.423 1.00 0.00 H new ATOM 1088 N VAL A 76 -5.591 -16.851 -10.030 1.00 0.00 N ATOM 1089 CA VAL A 76 -4.538 -15.949 -10.461 1.00 0.00 C ATOM 1090 C VAL A 76 -3.160 -16.565 -10.210 1.00 0.00 C ATOM 1091 O VAL A 76 -2.635 -16.536 -9.106 1.00 0.00 O ATOM 1092 CB VAL A 76 -4.665 -14.584 -9.750 1.00 0.00 C ATOM 1093 CG1 VAL A 76 -3.544 -13.656 -10.149 1.00 0.00 C ATOM 1094 CG2 VAL A 76 -6.010 -13.946 -10.057 1.00 0.00 C ATOM 0 H VAL A 76 -5.910 -16.702 -9.073 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.646 -15.786 -11.533 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.596 -14.759 -8.676 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.660 -12.703 -9.633 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.588 -14.103 -9.877 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.574 -13.491 -11.226 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.082 -12.985 -9.548 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.104 -13.795 -11.132 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.810 -14.600 -9.712 1.00 0.00 H new ATOM 1104 N LYS A 77 -2.587 -17.137 -11.250 1.00 0.00 N ATOM 1105 CA LYS A 77 -1.318 -17.842 -11.121 1.00 0.00 C ATOM 1106 C LYS A 77 -0.171 -17.036 -11.717 1.00 0.00 C ATOM 1107 O LYS A 77 -0.365 -16.319 -12.695 1.00 0.00 O ATOM 1108 CB LYS A 77 -1.409 -19.244 -11.746 1.00 0.00 C ATOM 1109 CG LYS A 77 -1.989 -19.299 -13.158 1.00 0.00 C ATOM 1110 CD LYS A 77 -0.979 -18.873 -14.213 1.00 0.00 C ATOM 1111 CE LYS A 77 -1.407 -19.307 -15.607 1.00 0.00 C ATOM 1112 NZ LYS A 77 -2.664 -18.644 -16.052 1.00 0.00 N ATOM 0 H LYS A 77 -2.975 -17.130 -12.193 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.106 -17.963 -10.059 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.410 -19.679 -11.765 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.018 -19.873 -11.097 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.327 -20.313 -13.370 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.865 -18.652 -13.214 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.862 -17.790 -14.189 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.005 -19.304 -13.980 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.610 -19.079 -16.315 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.546 -20.388 -15.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.911 -18.974 -17.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.433 -18.881 -15.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.526 -17.613 -16.067 1.00 0.00 H new ATOM 1126 N VAL A 78 1.005 -17.136 -11.097 1.00 0.00 N ATOM 1127 CA VAL A 78 2.210 -16.456 -11.582 1.00 0.00 C ATOM 1128 C VAL A 78 2.416 -16.694 -13.089 1.00 0.00 C ATOM 1129 O VAL A 78 2.891 -17.745 -13.524 1.00 0.00 O ATOM 1130 CB VAL A 78 3.471 -16.888 -10.785 1.00 0.00 C ATOM 1131 CG1 VAL A 78 3.587 -18.403 -10.700 1.00 0.00 C ATOM 1132 CG2 VAL A 78 4.734 -16.295 -11.395 1.00 0.00 C ATOM 0 H VAL A 78 1.151 -17.686 -10.250 1.00 0.00 H new ATOM 0 HA VAL A 78 2.062 -15.388 -11.421 1.00 0.00 H new ATOM 0 HB VAL A 78 3.360 -16.501 -9.772 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.481 -18.668 -10.135 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.708 -18.808 -10.199 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.656 -18.820 -11.705 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.601 -16.614 -10.817 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.837 -16.639 -12.424 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.669 -15.207 -11.381 1.00 0.00 H new ATOM 1142 N GLY A 79 2.001 -15.715 -13.878 1.00 0.00 N ATOM 1143 CA GLY A 79 2.070 -15.828 -15.326 1.00 0.00 C ATOM 1144 C GLY A 79 0.733 -15.489 -15.965 1.00 0.00 C ATOM 1145 O GLY A 79 0.546 -15.641 -17.171 1.00 0.00 O ATOM 0 H GLY A 79 1.613 -14.834 -13.540 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.840 -15.159 -15.710 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.362 -16.841 -15.601 1.00 0.00 H new ATOM 1149 N THR A 80 -0.194 -15.050 -15.117 1.00 0.00 N ATOM 1150 CA THR A 80 -1.503 -14.607 -15.577 1.00 0.00 C ATOM 1151 C THR A 80 -1.340 -13.396 -16.493 1.00 0.00 C ATOM 1152 O THR A 80 -1.092 -12.281 -16.051 1.00 0.00 O ATOM 1153 CB THR A 80 -2.449 -14.261 -14.410 1.00 0.00 C ATOM 1154 OG1 THR A 80 -2.638 -15.414 -13.580 1.00 0.00 O ATOM 1155 CG2 THR A 80 -3.799 -13.788 -14.931 1.00 0.00 C ATOM 0 H THR A 80 -0.061 -14.992 -14.107 1.00 0.00 H new ATOM 0 HA THR A 80 -1.957 -15.433 -16.125 1.00 0.00 H new ATOM 0 HB THR A 80 -1.996 -13.458 -13.828 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.767 -15.744 -13.275 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.450 -13.549 -14.090 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.660 -12.899 -15.546 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.254 -14.576 -15.530 1.00 0.00 H new ATOM 1163 N LYS A 81 -1.489 -13.635 -17.774 1.00 0.00 N ATOM 1164 CA LYS A 81 -1.225 -12.588 -18.736 1.00 0.00 C ATOM 1165 C LYS A 81 -2.491 -11.851 -19.112 1.00 0.00 C ATOM 1166 O LYS A 81 -3.410 -12.414 -19.706 1.00 0.00 O ATOM 1167 CB LYS A 81 -0.503 -13.101 -19.980 1.00 0.00 C ATOM 1168 CG LYS A 81 0.032 -11.964 -20.841 1.00 0.00 C ATOM 1169 CD LYS A 81 -0.896 -11.632 -21.998 1.00 0.00 C ATOM 1170 CE LYS A 81 -0.772 -12.647 -23.117 1.00 0.00 C ATOM 1171 NZ LYS A 81 0.573 -12.607 -23.751 1.00 0.00 N ATOM 0 H LYS A 81 -1.786 -14.527 -18.171 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.552 -11.884 -18.246 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.322 -13.747 -19.679 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -1.187 -13.711 -20.570 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.170 -11.077 -20.223 1.00 0.00 H new ATOM 0 HG3 LYS A 81 1.013 -12.237 -21.231 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -1.926 -11.604 -21.643 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.663 -10.638 -22.379 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.959 -13.646 -22.724 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -1.535 -12.453 -23.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 0.522 -13.028 -24.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.892 -11.620 -23.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 1.247 -13.145 -23.170 1.00 0.00 H new ATOM 1185 N VAL A 82 -2.518 -10.583 -18.751 1.00 0.00 N ATOM 1186 CA VAL A 82 -3.642 -9.719 -19.038 1.00 0.00 C ATOM 1187 C VAL A 82 -3.149 -8.408 -19.630 1.00 0.00 C ATOM 1188 O VAL A 82 -2.396 -7.670 -18.993 1.00 0.00 O ATOM 1189 CB VAL A 82 -4.470 -9.425 -17.774 1.00 0.00 C ATOM 1190 CG1 VAL A 82 -5.626 -8.511 -18.113 1.00 0.00 C ATOM 1191 CG2 VAL A 82 -4.970 -10.712 -17.134 1.00 0.00 C ATOM 0 H VAL A 82 -1.758 -10.123 -18.249 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.281 -10.236 -19.753 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.827 -8.924 -17.050 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.206 -8.309 -17.213 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.243 -7.574 -18.516 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.264 -8.991 -18.855 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.552 -10.473 -16.243 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.598 -11.251 -17.844 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.119 -11.334 -16.856 1.00 0.00 H new ATOM 1201 N LYS A 83 -3.542 -8.142 -20.860 1.00 0.00 N ATOM 1202 CA LYS A 83 -3.093 -6.948 -21.543 1.00 0.00 C ATOM 1203 C LYS A 83 -4.181 -5.909 -21.688 1.00 0.00 C ATOM 1204 O LYS A 83 -5.354 -6.157 -21.406 1.00 0.00 O ATOM 1205 CB LYS A 83 -2.533 -7.285 -22.920 1.00 0.00 C ATOM 1206 CG LYS A 83 -3.502 -8.022 -23.824 1.00 0.00 C ATOM 1207 CD LYS A 83 -2.865 -8.297 -25.169 1.00 0.00 C ATOM 1208 CE LYS A 83 -3.765 -9.121 -26.068 1.00 0.00 C ATOM 1209 NZ LYS A 83 -3.152 -9.327 -27.403 1.00 0.00 N ATOM 0 H LYS A 83 -4.169 -8.735 -21.404 1.00 0.00 H new ATOM 0 HA LYS A 83 -2.308 -6.523 -20.918 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.227 -6.361 -23.411 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.636 -7.892 -22.796 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.802 -8.961 -23.358 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -4.407 -7.429 -23.958 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.631 -7.352 -25.659 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.921 -8.822 -25.022 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.961 -10.087 -25.603 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.727 -8.620 -26.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.792 -9.894 -27.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.988 -8.405 -27.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.246 -9.826 -27.296 1.00 0.00 H new ATOM 1223 N ASN A 84 -3.731 -4.737 -22.112 1.00 0.00 N ATOM 1224 CA ASN A 84 -4.600 -3.622 -22.443 1.00 0.00 C ATOM 1225 C ASN A 84 -5.242 -3.061 -21.189 1.00 0.00 C ATOM 1226 O ASN A 84 -6.399 -2.641 -21.221 1.00 0.00 O ATOM 1227 CB ASN A 84 -5.690 -4.062 -23.426 1.00 0.00 C ATOM 1228 CG ASN A 84 -5.839 -3.120 -24.596 1.00 0.00 C ATOM 1229 OD1 ASN A 84 -6.953 -2.829 -25.037 1.00 0.00 O ATOM 1230 ND2 ASN A 84 -4.718 -2.670 -25.132 1.00 0.00 N ATOM 0 H ASN A 84 -2.739 -4.533 -22.237 1.00 0.00 H new ATOM 0 HA ASN A 84 -3.993 -2.847 -22.911 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.457 -5.060 -23.797 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.641 -4.132 -22.899 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -4.752 -2.055 -25.945 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -3.818 -2.938 -24.733 1.00 0.00 H new ATOM 1237 N ILE A 85 -4.497 -3.049 -20.079 1.00 0.00 N ATOM 1238 CA ILE A 85 -5.022 -2.608 -18.792 1.00 0.00 C ATOM 1239 C ILE A 85 -5.501 -1.158 -18.778 1.00 0.00 C ATOM 1240 O ILE A 85 -5.351 -0.407 -19.743 1.00 0.00 O ATOM 1241 CB ILE A 85 -3.948 -2.762 -17.686 1.00 0.00 C ATOM 1242 CG1 ILE A 85 -2.704 -1.910 -18.007 1.00 0.00 C ATOM 1243 CG2 ILE A 85 -3.567 -4.227 -17.536 1.00 0.00 C ATOM 1244 CD1 ILE A 85 -1.748 -1.724 -16.834 1.00 0.00 C ATOM 0 H ILE A 85 -3.521 -3.343 -20.051 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.885 -3.247 -18.606 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.365 -2.406 -16.744 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.163 -2.375 -18.831 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.030 -0.929 -18.353 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.812 -4.329 -16.757 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.449 -4.806 -17.264 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.167 -4.597 -18.480 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.902 -1.113 -17.148 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.269 -1.229 -16.015 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.389 -2.697 -16.500 1.00 0.00 H new ATOM 1256 N ARG A 86 -6.054 -0.792 -17.638 1.00 0.00 N ATOM 1257 CA ARG A 86 -6.578 0.531 -17.383 1.00 0.00 C ATOM 1258 C ARG A 86 -6.040 1.033 -16.051 1.00 0.00 C ATOM 1259 O ARG A 86 -6.192 0.374 -15.020 1.00 0.00 O ATOM 1260 CB ARG A 86 -8.117 0.472 -17.387 1.00 0.00 C ATOM 1261 CG ARG A 86 -8.846 1.598 -16.647 1.00 0.00 C ATOM 1262 CD ARG A 86 -8.389 2.998 -17.043 1.00 0.00 C ATOM 1263 NE ARG A 86 -8.168 3.149 -18.478 1.00 0.00 N ATOM 1264 CZ ARG A 86 -9.041 3.682 -19.323 1.00 0.00 C ATOM 1265 NH1 ARG A 86 -10.251 4.031 -18.906 1.00 0.00 N ATOM 1266 NH2 ARG A 86 -8.695 3.865 -20.589 1.00 0.00 N ATOM 0 H ARG A 86 -6.153 -1.425 -16.844 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.262 1.227 -18.160 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.456 0.469 -18.423 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.423 -0.478 -16.949 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.916 1.509 -16.835 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -8.699 1.469 -15.575 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.137 3.722 -16.719 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -7.466 3.235 -16.513 1.00 0.00 H new ATOM 0 HE ARG A 86 -7.280 2.822 -18.858 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.515 3.890 -17.931 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -10.918 4.440 -19.561 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -7.764 3.597 -20.907 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -9.360 4.274 -21.245 1.00 0.00 H new ATOM 1280 N LEU A 87 -5.380 2.177 -16.079 1.00 0.00 N ATOM 1281 CA LEU A 87 -4.865 2.784 -14.865 1.00 0.00 C ATOM 1282 C LEU A 87 -6.021 3.408 -14.092 1.00 0.00 C ATOM 1283 O LEU A 87 -6.588 4.416 -14.514 1.00 0.00 O ATOM 1284 CB LEU A 87 -3.809 3.838 -15.215 1.00 0.00 C ATOM 1285 CG LEU A 87 -2.684 3.341 -16.131 1.00 0.00 C ATOM 1286 CD1 LEU A 87 -1.776 4.489 -16.545 1.00 0.00 C ATOM 1287 CD2 LEU A 87 -1.875 2.249 -15.448 1.00 0.00 C ATOM 0 H LEU A 87 -5.188 2.705 -16.930 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.391 2.025 -14.242 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.304 4.682 -15.696 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.368 4.211 -14.291 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.142 2.923 -17.028 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.986 4.112 -17.194 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.359 5.239 -17.080 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.332 4.940 -15.658 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.083 1.911 -16.116 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.434 2.642 -14.532 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.528 1.410 -15.206 1.00 0.00 H new ATOM 1299 N VAL A 88 -6.373 2.796 -12.968 1.00 0.00 N ATOM 1300 CA VAL A 88 -7.587 3.159 -12.243 1.00 0.00 C ATOM 1301 C VAL A 88 -7.434 4.485 -11.503 1.00 0.00 C ATOM 1302 O VAL A 88 -6.323 4.957 -11.266 1.00 0.00 O ATOM 1303 CB VAL A 88 -7.948 2.063 -11.203 1.00 0.00 C ATOM 1304 CG1 VAL A 88 -9.406 2.142 -10.789 1.00 0.00 C ATOM 1305 CG2 VAL A 88 -7.625 0.675 -11.726 1.00 0.00 C ATOM 0 H VAL A 88 -5.835 2.044 -12.537 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.378 3.256 -12.987 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.335 2.249 -10.321 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -9.620 1.360 -10.061 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -9.605 3.117 -10.344 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.041 2.006 -11.665 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -7.890 -0.068 -10.974 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -8.194 0.488 -12.637 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.559 0.607 -11.944 1.00 0.00 H new ATOM 1315 N ASP A 89 -8.573 5.076 -11.146 1.00 0.00 N ATOM 1316 CA ASP A 89 -8.622 6.319 -10.375 1.00 0.00 C ATOM 1317 C ASP A 89 -8.349 6.049 -8.906 1.00 0.00 C ATOM 1318 O ASP A 89 -8.891 6.702 -8.013 1.00 0.00 O ATOM 1319 CB ASP A 89 -9.989 6.959 -10.507 1.00 0.00 C ATOM 1320 CG ASP A 89 -10.222 7.590 -11.862 1.00 0.00 C ATOM 1321 OD1 ASP A 89 -10.478 6.850 -12.836 1.00 0.00 O ATOM 1322 OD2 ASP A 89 -10.161 8.833 -11.959 1.00 0.00 O ATOM 0 H ASP A 89 -9.493 4.705 -11.384 1.00 0.00 H new ATOM 0 HA ASP A 89 -7.858 6.990 -10.767 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -10.755 6.205 -10.328 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -10.103 7.719 -9.734 1.00 0.00 H new ATOM 1327 N GLY A 90 -7.487 5.100 -8.684 1.00 0.00 N ATOM 1328 CA GLY A 90 -7.085 4.711 -7.362 1.00 0.00 C ATOM 1329 C GLY A 90 -5.600 4.493 -7.353 1.00 0.00 C ATOM 1330 O GLY A 90 -5.075 3.824 -8.237 1.00 0.00 O ATOM 0 H GLY A 90 -7.036 4.566 -9.427 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -7.358 5.483 -6.642 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -7.602 3.799 -7.063 1.00 0.00 H new ATOM 1334 N ASP A 91 -4.922 5.046 -6.367 1.00 0.00 N ATOM 1335 CA ASP A 91 -3.463 5.117 -6.384 1.00 0.00 C ATOM 1336 C ASP A 91 -2.811 3.736 -6.281 1.00 0.00 C ATOM 1337 O ASP A 91 -1.588 3.612 -6.371 1.00 0.00 O ATOM 1338 CB ASP A 91 -2.969 6.023 -5.248 1.00 0.00 C ATOM 1339 CG ASP A 91 -3.102 5.384 -3.881 1.00 0.00 C ATOM 1340 OD1 ASP A 91 -4.248 5.128 -3.446 1.00 0.00 O ATOM 1341 OD2 ASP A 91 -2.062 5.132 -3.239 1.00 0.00 O ATOM 0 H ASP A 91 -5.354 5.456 -5.539 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.169 5.540 -7.345 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -1.924 6.279 -5.423 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.533 6.956 -5.263 1.00 0.00 H new ATOM 1346 N HIS A 92 -3.617 2.702 -6.065 1.00 0.00 N ATOM 1347 CA HIS A 92 -3.088 1.352 -5.938 1.00 0.00 C ATOM 1348 C HIS A 92 -3.401 0.436 -7.122 1.00 0.00 C ATOM 1349 O HIS A 92 -2.522 -0.295 -7.572 1.00 0.00 O ATOM 1350 CB HIS A 92 -3.571 0.688 -4.647 1.00 0.00 C ATOM 1351 CG HIS A 92 -2.757 1.050 -3.443 1.00 0.00 C ATOM 1352 ND1 HIS A 92 -1.852 0.190 -2.854 1.00 0.00 N ATOM 1353 CD2 HIS A 92 -2.711 2.189 -2.719 1.00 0.00 C ATOM 1354 CE1 HIS A 92 -1.290 0.790 -1.823 1.00 0.00 C ATOM 1355 NE2 HIS A 92 -1.790 2.006 -1.718 1.00 0.00 N ATOM 0 H HIS A 92 -4.631 2.773 -5.975 1.00 0.00 H new ATOM 0 HA HIS A 92 -2.006 1.481 -5.916 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.609 0.969 -4.471 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -3.551 -0.394 -4.776 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -3.293 3.081 -2.896 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -0.544 0.358 -1.173 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -1.535 2.695 -1.011 1.00 0.00 H new ATOM 1364 N ASP A 93 -4.645 0.420 -7.600 1.00 0.00 N ATOM 1365 CA ASP A 93 -5.163 -0.709 -8.382 1.00 0.00 C ATOM 1366 C ASP A 93 -4.992 -0.602 -9.883 1.00 0.00 C ATOM 1367 O ASP A 93 -4.944 0.474 -10.460 1.00 0.00 O ATOM 1368 CB ASP A 93 -6.653 -0.863 -8.100 1.00 0.00 C ATOM 1369 CG ASP A 93 -6.963 -1.128 -6.638 1.00 0.00 C ATOM 1370 OD1 ASP A 93 -6.834 -2.287 -6.196 1.00 0.00 O ATOM 1371 OD2 ASP A 93 -7.356 -0.174 -5.925 1.00 0.00 O ATOM 0 H ASP A 93 -5.316 1.176 -7.461 1.00 0.00 H new ATOM 0 HA ASP A 93 -4.569 -1.566 -8.065 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.171 0.043 -8.416 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.047 -1.682 -8.702 1.00 0.00 H new ATOM 1376 N ILE A 94 -4.932 -1.774 -10.491 1.00 0.00 N ATOM 1377 CA ILE A 94 -4.893 -1.931 -11.932 1.00 0.00 C ATOM 1378 C ILE A 94 -6.185 -2.530 -12.432 1.00 0.00 C ATOM 1379 O ILE A 94 -6.647 -3.536 -11.923 1.00 0.00 O ATOM 1380 CB ILE A 94 -3.743 -2.860 -12.339 1.00 0.00 C ATOM 1381 CG1 ILE A 94 -2.458 -2.376 -11.695 1.00 0.00 C ATOM 1382 CG2 ILE A 94 -3.600 -2.912 -13.854 1.00 0.00 C ATOM 1383 CD1 ILE A 94 -1.384 -3.419 -11.633 1.00 0.00 C ATOM 0 H ILE A 94 -4.909 -2.660 -9.986 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.746 -0.944 -12.370 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.960 -3.871 -11.993 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.085 -1.516 -12.251 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.676 -2.032 -10.684 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -2.778 -3.577 -14.119 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.525 -3.285 -14.294 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.394 -1.912 -14.235 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.496 -2.999 -11.160 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.737 -4.271 -11.051 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.137 -3.747 -12.643 1.00 0.00 H new ATOM 1395 N ASP A 95 -6.770 -1.918 -13.420 1.00 0.00 N ATOM 1396 CA ASP A 95 -7.938 -2.482 -14.043 1.00 0.00 C ATOM 1397 C ASP A 95 -7.477 -3.236 -15.269 1.00 0.00 C ATOM 1398 O ASP A 95 -6.653 -2.740 -16.030 1.00 0.00 O ATOM 1399 CB ASP A 95 -8.919 -1.374 -14.381 1.00 0.00 C ATOM 1400 CG ASP A 95 -10.289 -1.884 -14.792 1.00 0.00 C ATOM 1401 OD1 ASP A 95 -10.393 -2.573 -15.826 1.00 0.00 O ATOM 1402 OD2 ASP A 95 -11.273 -1.582 -14.084 1.00 0.00 O ATOM 0 H ASP A 95 -6.460 -1.029 -13.813 1.00 0.00 H new ATOM 0 HA ASP A 95 -8.459 -3.171 -13.378 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -9.028 -0.719 -13.516 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -8.508 -0.769 -15.189 1.00 0.00 H new ATOM 1407 N CYS A 96 -7.953 -4.443 -15.441 1.00 0.00 N ATOM 1408 CA CYS A 96 -7.383 -5.315 -16.443 1.00 0.00 C ATOM 1409 C CYS A 96 -8.456 -6.080 -17.204 1.00 0.00 C ATOM 1410 O CYS A 96 -9.480 -6.458 -16.640 1.00 0.00 O ATOM 1411 CB CYS A 96 -6.405 -6.271 -15.765 1.00 0.00 C ATOM 1412 SG CYS A 96 -7.164 -7.319 -14.503 1.00 0.00 S ATOM 0 H CYS A 96 -8.725 -4.843 -14.908 1.00 0.00 H new ATOM 0 HA CYS A 96 -6.854 -4.709 -17.178 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -5.947 -6.906 -16.524 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -5.603 -5.691 -15.308 1.00 0.00 H new ATOM 0 HG CYS A 96 -7.928 -6.595 -13.740 1.00 0.00 H new ATOM 1418 N LYS A 97 -8.204 -6.307 -18.488 1.00 0.00 N ATOM 1419 CA LYS A 97 -9.155 -6.990 -19.351 1.00 0.00 C ATOM 1420 C LYS A 97 -8.859 -8.475 -19.396 1.00 0.00 C ATOM 1421 O LYS A 97 -7.894 -8.911 -20.022 1.00 0.00 O ATOM 1422 CB LYS A 97 -9.085 -6.445 -20.778 1.00 0.00 C ATOM 1423 CG LYS A 97 -9.389 -4.966 -20.915 1.00 0.00 C ATOM 1424 CD LYS A 97 -9.319 -4.556 -22.374 1.00 0.00 C ATOM 1425 CE LYS A 97 -9.638 -3.089 -22.573 1.00 0.00 C ATOM 1426 NZ LYS A 97 -9.634 -2.729 -24.015 1.00 0.00 N ATOM 0 H LYS A 97 -7.342 -6.025 -18.955 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.150 -6.818 -18.940 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -8.087 -6.634 -21.174 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.785 -7.004 -21.399 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -10.380 -4.751 -20.515 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.677 -4.384 -20.330 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -8.321 -4.765 -22.761 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -10.018 -5.160 -22.953 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -10.614 -2.865 -22.142 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.907 -2.480 -22.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -10.018 -1.770 -24.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -8.660 -2.760 -24.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -10.221 -3.405 -24.543 1.00 0.00 H new ATOM 1440 N ILE A 98 -9.706 -9.244 -18.760 1.00 0.00 N ATOM 1441 CA ILE A 98 -9.560 -10.679 -18.734 1.00 0.00 C ATOM 1442 C ILE A 98 -10.581 -11.286 -19.674 1.00 0.00 C ATOM 1443 O ILE A 98 -11.638 -10.691 -19.921 1.00 0.00 O ATOM 1444 CB ILE A 98 -9.718 -11.203 -17.296 1.00 0.00 C ATOM 1445 CG1 ILE A 98 -8.727 -10.457 -16.406 1.00 0.00 C ATOM 1446 CG2 ILE A 98 -9.480 -12.706 -17.225 1.00 0.00 C ATOM 1447 CD1 ILE A 98 -9.068 -10.493 -14.944 1.00 0.00 C ATOM 0 H ILE A 98 -10.515 -8.895 -18.246 1.00 0.00 H new ATOM 0 HA ILE A 98 -8.564 -10.967 -19.070 1.00 0.00 H new ATOM 0 HB ILE A 98 -10.738 -11.026 -16.954 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -7.735 -10.885 -16.547 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -8.675 -9.418 -16.730 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -9.599 -13.045 -16.196 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -10.201 -13.219 -17.862 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.470 -12.931 -17.566 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -8.316 -9.941 -14.381 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -10.046 -10.037 -14.787 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -9.091 -11.527 -14.601 1.00 0.00 H new ATOM 1459 N ASP A 99 -10.314 -12.475 -20.175 1.00 0.00 N ATOM 1460 CA ASP A 99 -11.042 -12.941 -21.333 1.00 0.00 C ATOM 1461 C ASP A 99 -12.102 -13.897 -20.860 1.00 0.00 C ATOM 1462 O ASP A 99 -11.824 -14.796 -20.067 1.00 0.00 O ATOM 1463 CB ASP A 99 -10.131 -13.658 -22.321 1.00 0.00 C ATOM 1464 CG ASP A 99 -10.655 -13.583 -23.739 1.00 0.00 C ATOM 1465 OD1 ASP A 99 -11.589 -14.339 -24.073 1.00 0.00 O ATOM 1466 OD2 ASP A 99 -10.146 -12.753 -24.522 1.00 0.00 O ATOM 0 H ASP A 99 -9.615 -13.121 -19.808 1.00 0.00 H new ATOM 0 HA ASP A 99 -11.477 -12.082 -21.845 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -9.135 -13.218 -22.280 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -10.030 -14.703 -22.027 1.00 0.00 H new ATOM 1471 N GLY A 100 -13.311 -13.693 -21.306 1.00 0.00 N ATOM 1472 CA GLY A 100 -14.370 -14.563 -20.897 1.00 0.00 C ATOM 1473 C GLY A 100 -15.256 -13.924 -19.857 1.00 0.00 C ATOM 1474 O GLY A 100 -16.472 -13.879 -20.012 1.00 0.00 O ATOM 0 H GLY A 100 -13.582 -12.943 -21.943 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.970 -14.837 -21.765 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -13.948 -15.485 -20.497 1.00 0.00 H new ATOM 1478 N ILE A 101 -14.640 -13.424 -18.792 1.00 0.00 N ATOM 1479 CA ILE A 101 -15.389 -12.821 -17.702 1.00 0.00 C ATOM 1480 C ILE A 101 -15.472 -11.305 -17.849 1.00 0.00 C ATOM 1481 O ILE A 101 -16.521 -10.713 -17.598 1.00 0.00 O ATOM 1482 CB ILE A 101 -14.790 -13.172 -16.322 1.00 0.00 C ATOM 1483 CG1 ILE A 101 -13.327 -12.727 -16.227 1.00 0.00 C ATOM 1484 CG2 ILE A 101 -14.913 -14.666 -16.062 1.00 0.00 C ATOM 1485 CD1 ILE A 101 -12.732 -12.895 -14.846 1.00 0.00 C ATOM 0 H ILE A 101 -13.628 -13.425 -18.662 1.00 0.00 H new ATOM 0 HA ILE A 101 -16.395 -13.238 -17.758 1.00 0.00 H new ATOM 0 HB ILE A 101 -15.352 -12.635 -15.558 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -12.735 -13.299 -16.941 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -13.255 -11.680 -16.520 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -14.488 -14.902 -15.087 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -15.964 -14.953 -16.078 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -14.375 -15.215 -16.835 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -11.695 -12.560 -14.854 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -13.300 -12.301 -14.130 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -12.772 -13.945 -14.558 1.00 0.00 H new ATOM 1497 N GLY A 102 -14.379 -10.675 -18.266 1.00 0.00 N ATOM 1498 CA GLY A 102 -14.365 -9.230 -18.362 1.00 0.00 C ATOM 1499 C GLY A 102 -13.194 -8.628 -17.613 1.00 0.00 C ATOM 1500 O GLY A 102 -12.101 -9.175 -17.634 1.00 0.00 O ATOM 0 H GLY A 102 -13.510 -11.136 -18.537 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -14.316 -8.936 -19.410 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -15.297 -8.830 -17.962 1.00 0.00 H new ATOM 1504 N ALA A 103 -13.428 -7.540 -16.907 1.00 0.00 N ATOM 1505 CA ALA A 103 -12.354 -6.796 -16.266 1.00 0.00 C ATOM 1506 C ALA A 103 -12.261 -7.124 -14.777 1.00 0.00 C ATOM 1507 O ALA A 103 -13.222 -7.611 -14.179 1.00 0.00 O ATOM 1508 CB ALA A 103 -12.559 -5.303 -16.467 1.00 0.00 C ATOM 0 H ALA A 103 -14.358 -7.147 -16.760 1.00 0.00 H new ATOM 0 HA ALA A 103 -11.414 -7.092 -16.732 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -11.750 -4.756 -15.983 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -12.563 -5.077 -17.533 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -13.511 -5.004 -16.029 1.00 0.00 H new ATOM 1514 N MET A 104 -11.103 -6.850 -14.189 1.00 0.00 N ATOM 1515 CA MET A 104 -10.880 -7.098 -12.767 1.00 0.00 C ATOM 1516 C MET A 104 -9.797 -6.160 -12.233 1.00 0.00 C ATOM 1517 O MET A 104 -9.074 -5.536 -13.009 1.00 0.00 O ATOM 1518 CB MET A 104 -10.495 -8.566 -12.539 1.00 0.00 C ATOM 1519 CG MET A 104 -10.335 -8.951 -11.074 1.00 0.00 C ATOM 1520 SD MET A 104 -10.187 -10.732 -10.829 1.00 0.00 S ATOM 1521 CE MET A 104 -11.717 -11.302 -11.566 1.00 0.00 C ATOM 0 H MET A 104 -10.299 -6.454 -14.676 1.00 0.00 H new ATOM 0 HA MET A 104 -11.803 -6.900 -12.222 1.00 0.00 H new ATOM 0 HB2 MET A 104 -11.256 -9.203 -12.989 1.00 0.00 H new ATOM 0 HB3 MET A 104 -9.560 -8.770 -13.060 1.00 0.00 H new ATOM 0 HG2 MET A 104 -9.451 -8.459 -10.669 1.00 0.00 H new ATOM 0 HG3 MET A 104 -11.192 -8.582 -10.511 1.00 0.00 H new ATOM 0 HE1 MET A 104 -12.181 -12.043 -10.915 1.00 0.00 H new ATOM 0 HE2 MET A 104 -12.395 -10.458 -11.696 1.00 0.00 H new ATOM 0 HE3 MET A 104 -11.508 -11.752 -12.536 1.00 0.00 H new ATOM 1531 N LYS A 105 -9.694 -6.066 -10.912 1.00 0.00 N ATOM 1532 CA LYS A 105 -8.757 -5.158 -10.268 1.00 0.00 C ATOM 1533 C LYS A 105 -7.679 -5.941 -9.519 1.00 0.00 C ATOM 1534 O LYS A 105 -7.982 -6.795 -8.688 1.00 0.00 O ATOM 1535 CB LYS A 105 -9.526 -4.245 -9.318 1.00 0.00 C ATOM 1536 CG LYS A 105 -10.646 -3.491 -10.014 1.00 0.00 C ATOM 1537 CD LYS A 105 -11.646 -2.936 -9.022 1.00 0.00 C ATOM 1538 CE LYS A 105 -12.755 -2.171 -9.726 1.00 0.00 C ATOM 1539 NZ LYS A 105 -13.707 -1.554 -8.766 1.00 0.00 N ATOM 0 H LYS A 105 -10.256 -6.615 -10.261 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.258 -4.552 -11.024 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -9.943 -4.840 -8.506 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -8.836 -3.531 -8.868 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -10.225 -2.675 -10.602 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.155 -4.157 -10.711 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.076 -3.752 -8.441 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -11.137 -2.277 -8.319 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.317 -1.393 -10.352 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.296 -2.846 -10.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.446 -1.043 -9.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.145 -2.297 -8.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -13.197 -0.889 -8.150 1.00 0.00 H new ATOM 1553 N LEU A 106 -6.427 -5.640 -9.823 1.00 0.00 N ATOM 1554 CA LEU A 106 -5.292 -6.374 -9.294 1.00 0.00 C ATOM 1555 C LEU A 106 -4.459 -5.504 -8.364 1.00 0.00 C ATOM 1556 O LEU A 106 -4.350 -4.290 -8.556 1.00 0.00 O ATOM 1557 CB LEU A 106 -4.414 -6.847 -10.442 1.00 0.00 C ATOM 1558 CG LEU A 106 -5.145 -7.573 -11.565 1.00 0.00 C ATOM 1559 CD1 LEU A 106 -4.251 -7.639 -12.784 1.00 0.00 C ATOM 1560 CD2 LEU A 106 -5.559 -8.970 -11.124 1.00 0.00 C ATOM 0 H LEU A 106 -6.170 -4.875 -10.447 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.673 -7.225 -8.730 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.900 -5.983 -10.864 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -3.647 -7.510 -10.042 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.052 -7.022 -11.816 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -4.771 -8.158 -13.589 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -4.000 -6.628 -13.106 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -3.337 -8.178 -12.536 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.079 -9.470 -11.941 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.673 -9.544 -10.853 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -6.222 -8.898 -10.262 1.00 0.00 H new ATOM 1572 N LYS A 107 -3.887 -6.139 -7.355 1.00 0.00 N ATOM 1573 CA LYS A 107 -3.047 -5.435 -6.412 1.00 0.00 C ATOM 1574 C LYS A 107 -1.684 -5.160 -7.026 1.00 0.00 C ATOM 1575 O LYS A 107 -1.012 -6.077 -7.496 1.00 0.00 O ATOM 1576 CB LYS A 107 -2.907 -6.209 -5.107 1.00 0.00 C ATOM 1577 CG LYS A 107 -2.549 -5.324 -3.930 1.00 0.00 C ATOM 1578 CD LYS A 107 -2.709 -6.057 -2.611 1.00 0.00 C ATOM 1579 CE LYS A 107 -4.161 -6.119 -2.160 1.00 0.00 C ATOM 1580 NZ LYS A 107 -4.285 -6.673 -0.785 1.00 0.00 N ATOM 0 H LYS A 107 -3.991 -7.137 -7.171 1.00 0.00 H new ATOM 0 HA LYS A 107 -3.524 -4.483 -6.178 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -3.843 -6.725 -4.895 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.140 -6.975 -5.225 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -1.520 -4.979 -4.033 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -3.184 -4.438 -3.934 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.318 -7.069 -2.710 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -2.114 -5.559 -1.846 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -4.595 -5.120 -2.191 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -4.732 -6.736 -2.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -5.288 -6.700 -0.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.893 -7.636 -0.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.761 -6.070 -0.119 1.00 0.00 H new ATOM 1594 N SER A 108 -1.303 -3.886 -7.017 1.00 0.00 N ATOM 1595 CA SER A 108 -0.038 -3.419 -7.581 1.00 0.00 C ATOM 1596 C SER A 108 1.142 -4.269 -7.124 1.00 0.00 C ATOM 1597 O SER A 108 2.056 -4.556 -7.899 1.00 0.00 O ATOM 1598 CB SER A 108 0.180 -1.961 -7.169 1.00 0.00 C ATOM 1599 OG SER A 108 1.493 -1.521 -7.458 1.00 0.00 O ATOM 0 H SER A 108 -1.869 -3.140 -6.614 1.00 0.00 H new ATOM 0 HA SER A 108 -0.096 -3.505 -8.666 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.538 -1.326 -7.688 1.00 0.00 H new ATOM 0 HB3 SER A 108 -0.012 -1.853 -6.102 1.00 0.00 H new ATOM 0 HG SER A 108 1.751 -1.826 -8.353 1.00 0.00 H new ATOM 1605 N GLU A 109 1.113 -4.692 -5.871 1.00 0.00 N ATOM 1606 CA GLU A 109 2.223 -5.422 -5.294 1.00 0.00 C ATOM 1607 C GLU A 109 2.279 -6.867 -5.784 1.00 0.00 C ATOM 1608 O GLU A 109 3.213 -7.600 -5.453 1.00 0.00 O ATOM 1609 CB GLU A 109 2.128 -5.384 -3.770 1.00 0.00 C ATOM 1610 CG GLU A 109 0.866 -6.016 -3.226 1.00 0.00 C ATOM 1611 CD GLU A 109 0.666 -5.729 -1.754 1.00 0.00 C ATOM 1612 OE1 GLU A 109 1.166 -6.506 -0.914 1.00 0.00 O ATOM 1613 OE2 GLU A 109 0.005 -4.720 -1.431 1.00 0.00 O ATOM 0 H GLU A 109 0.330 -4.541 -5.235 1.00 0.00 H new ATOM 0 HA GLU A 109 3.144 -4.937 -5.618 1.00 0.00 H new ATOM 0 HB2 GLU A 109 2.992 -5.897 -3.348 1.00 0.00 H new ATOM 0 HB3 GLU A 109 2.178 -4.347 -3.437 1.00 0.00 H new ATOM 0 HG2 GLU A 109 0.007 -5.646 -3.786 1.00 0.00 H new ATOM 0 HG3 GLU A 109 0.907 -7.094 -3.381 1.00 0.00 H new ATOM 1620 N PHE A 110 1.288 -7.300 -6.556 1.00 0.00 N ATOM 1621 CA PHE A 110 1.290 -8.670 -7.042 1.00 0.00 C ATOM 1622 C PHE A 110 1.456 -8.753 -8.559 1.00 0.00 C ATOM 1623 O PHE A 110 1.373 -9.836 -9.126 1.00 0.00 O ATOM 1624 CB PHE A 110 -0.005 -9.369 -6.621 1.00 0.00 C ATOM 1625 CG PHE A 110 -0.107 -9.616 -5.140 1.00 0.00 C ATOM 1626 CD1 PHE A 110 0.909 -10.267 -4.461 1.00 0.00 C ATOM 1627 CD2 PHE A 110 -1.223 -9.206 -4.431 1.00 0.00 C ATOM 1628 CE1 PHE A 110 0.817 -10.502 -3.103 1.00 0.00 C ATOM 1629 CE2 PHE A 110 -1.322 -9.437 -3.072 1.00 0.00 C ATOM 1630 CZ PHE A 110 -0.301 -10.086 -2.407 1.00 0.00 C ATOM 0 H PHE A 110 0.492 -6.736 -6.852 1.00 0.00 H new ATOM 0 HA PHE A 110 2.149 -9.172 -6.596 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -0.854 -8.763 -6.938 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -0.080 -10.322 -7.145 1.00 0.00 H new ATOM 0 HD1 PHE A 110 1.785 -10.595 -5.000 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -2.026 -8.700 -4.946 1.00 0.00 H new ATOM 0 HE1 PHE A 110 1.618 -11.010 -2.586 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -2.197 -9.110 -2.531 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.376 -10.268 -1.345 1.00 0.00 H new ATOM 1640 N VAL A 111 1.725 -7.635 -9.221 1.00 0.00 N ATOM 1641 CA VAL A 111 1.784 -7.639 -10.683 1.00 0.00 C ATOM 1642 C VAL A 111 3.167 -7.291 -11.233 1.00 0.00 C ATOM 1643 O VAL A 111 4.073 -6.887 -10.491 1.00 0.00 O ATOM 1644 CB VAL A 111 0.773 -6.655 -11.278 1.00 0.00 C ATOM 1645 CG1 VAL A 111 -0.641 -7.004 -10.847 1.00 0.00 C ATOM 1646 CG2 VAL A 111 1.136 -5.242 -10.869 1.00 0.00 C ATOM 0 H VAL A 111 1.903 -6.731 -8.784 1.00 0.00 H new ATOM 0 HA VAL A 111 1.545 -8.661 -10.977 1.00 0.00 H new ATOM 0 HB VAL A 111 0.809 -6.724 -12.365 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -1.341 -6.291 -11.282 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.888 -8.009 -11.189 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.711 -6.963 -9.760 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.415 -4.544 -11.294 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.121 -5.163 -9.782 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.134 -5.002 -11.237 1.00 0.00 H new ATOM 1656 N ARG A 112 3.302 -7.451 -12.549 1.00 0.00 N ATOM 1657 CA ARG A 112 4.540 -7.177 -13.264 1.00 0.00 C ATOM 1658 C ARG A 112 4.258 -6.738 -14.698 1.00 0.00 C ATOM 1659 O ARG A 112 3.451 -7.354 -15.394 1.00 0.00 O ATOM 1660 CB ARG A 112 5.428 -8.424 -13.271 1.00 0.00 C ATOM 1661 CG ARG A 112 6.509 -8.423 -14.343 1.00 0.00 C ATOM 1662 CD ARG A 112 7.703 -9.262 -13.923 1.00 0.00 C ATOM 1663 NE ARG A 112 8.740 -9.304 -14.950 1.00 0.00 N ATOM 1664 CZ ARG A 112 9.490 -10.376 -15.207 1.00 0.00 C ATOM 1665 NH1 ARG A 112 9.289 -11.505 -14.545 1.00 0.00 N ATOM 1666 NH2 ARG A 112 10.432 -10.321 -16.140 1.00 0.00 N ATOM 0 H ARG A 112 2.546 -7.778 -13.151 1.00 0.00 H new ATOM 0 HA ARG A 112 5.056 -6.366 -12.750 1.00 0.00 H new ATOM 0 HB2 ARG A 112 5.902 -8.522 -12.295 1.00 0.00 H new ATOM 0 HB3 ARG A 112 4.798 -9.303 -13.409 1.00 0.00 H new ATOM 0 HG2 ARG A 112 6.100 -8.811 -15.276 1.00 0.00 H new ATOM 0 HG3 ARG A 112 6.831 -7.400 -14.537 1.00 0.00 H new ATOM 0 HD2 ARG A 112 8.123 -8.857 -13.002 1.00 0.00 H new ATOM 0 HD3 ARG A 112 7.372 -10.277 -13.703 1.00 0.00 H new ATOM 0 HE ARG A 112 8.900 -8.463 -15.504 1.00 0.00 H new ATOM 0 HH11 ARG A 112 8.558 -11.557 -13.835 1.00 0.00 H new ATOM 0 HH12 ARG A 112 9.865 -12.323 -14.745 1.00 0.00 H new ATOM 0 HH21 ARG A 112 10.583 -9.458 -16.662 1.00 0.00 H new ATOM 0 HH22 ARG A 112 11.005 -11.142 -16.335 1.00 0.00 H new ATOM 1680 N LYS A 113 4.926 -5.676 -15.128 1.00 0.00 N ATOM 1681 CA LYS A 113 4.835 -5.217 -16.503 1.00 0.00 C ATOM 1682 C LYS A 113 5.536 -6.187 -17.444 1.00 0.00 C ATOM 1683 O LYS A 113 6.734 -6.445 -17.311 1.00 0.00 O ATOM 1684 CB LYS A 113 5.461 -3.831 -16.648 1.00 0.00 C ATOM 1685 CG LYS A 113 5.372 -3.274 -18.057 1.00 0.00 C ATOM 1686 CD LYS A 113 6.057 -1.929 -18.163 1.00 0.00 C ATOM 1687 CE LYS A 113 5.945 -1.365 -19.564 1.00 0.00 C ATOM 1688 NZ LYS A 113 6.593 -0.034 -19.673 1.00 0.00 N ATOM 0 H LYS A 113 5.540 -5.115 -14.538 1.00 0.00 H new ATOM 0 HA LYS A 113 3.779 -5.165 -16.768 1.00 0.00 H new ATOM 0 HB2 LYS A 113 4.967 -3.144 -15.962 1.00 0.00 H new ATOM 0 HB3 LYS A 113 6.508 -3.881 -16.350 1.00 0.00 H new ATOM 0 HG2 LYS A 113 5.830 -3.974 -18.756 1.00 0.00 H new ATOM 0 HG3 LYS A 113 4.326 -3.175 -18.345 1.00 0.00 H new ATOM 0 HD2 LYS A 113 5.611 -1.234 -17.452 1.00 0.00 H new ATOM 0 HD3 LYS A 113 7.108 -2.031 -17.892 1.00 0.00 H new ATOM 0 HE2 LYS A 113 6.407 -2.054 -20.272 1.00 0.00 H new ATOM 0 HE3 LYS A 113 4.894 -1.282 -19.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 6.496 0.321 -20.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 6.136 0.630 -19.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 7.602 -0.118 -19.434 1.00 0.00 H new ATOM 1702 N VAL A 114 4.781 -6.725 -18.382 1.00 0.00 N ATOM 1703 CA VAL A 114 5.326 -7.612 -19.399 1.00 0.00 C ATOM 1704 C VAL A 114 5.687 -6.829 -20.651 1.00 0.00 C ATOM 1705 O VAL A 114 6.859 -6.644 -20.970 1.00 0.00 O ATOM 1706 CB VAL A 114 4.324 -8.705 -19.805 1.00 0.00 C ATOM 1707 CG1 VAL A 114 5.017 -9.821 -20.573 1.00 0.00 C ATOM 1708 CG2 VAL A 114 3.601 -9.243 -18.594 1.00 0.00 C ATOM 0 H VAL A 114 3.777 -6.563 -18.463 1.00 0.00 H new ATOM 0 HA VAL A 114 6.211 -8.076 -18.963 1.00 0.00 H new ATOM 0 HB VAL A 114 3.583 -8.258 -20.468 1.00 0.00 H new ATOM 0 HG11 VAL A 114 4.286 -10.581 -20.848 1.00 0.00 H new ATOM 0 HG12 VAL A 114 5.474 -9.413 -21.475 1.00 0.00 H new ATOM 0 HG13 VAL A 114 5.788 -10.269 -19.947 1.00 0.00 H new ATOM 0 HG21 VAL A 114 2.897 -10.015 -18.904 1.00 0.00 H new ATOM 0 HG22 VAL A 114 4.324 -9.669 -17.898 1.00 0.00 H new ATOM 0 HG23 VAL A 114 3.060 -8.434 -18.104 1.00 0.00 H new ATOM 1718 N GLY A 115 4.659 -6.365 -21.348 1.00 0.00 N ATOM 1719 CA GLY A 115 4.853 -5.689 -22.610 1.00 0.00 C ATOM 1720 C GLY A 115 4.036 -6.323 -23.719 1.00 0.00 C ATOM 1721 O GLY A 115 3.428 -5.625 -24.532 1.00 0.00 O ATOM 0 H GLY A 115 3.685 -6.447 -21.056 1.00 0.00 H new ATOM 0 HA2 GLY A 115 4.575 -4.640 -22.507 1.00 0.00 H new ATOM 0 HA3 GLY A 115 5.909 -5.714 -22.877 1.00 0.00 H new ATOM 1725 N SER A 116 4.012 -7.651 -23.749 1.00 0.00 N ATOM 1726 CA SER A 116 3.277 -8.389 -24.770 1.00 0.00 C ATOM 1727 C SER A 116 2.879 -9.768 -24.244 1.00 0.00 C ATOM 1728 O SER A 116 3.726 -10.421 -23.597 1.00 0.00 O ATOM 1729 CB SER A 116 4.124 -8.525 -26.042 1.00 0.00 C ATOM 1730 OG SER A 116 4.473 -7.248 -26.562 1.00 0.00 O ATOM 1731 OXT SER A 116 1.725 -10.197 -24.485 1.00 0.00 O ATOM 0 H SER A 116 4.497 -8.242 -23.073 1.00 0.00 H new ATOM 0 HA SER A 116 2.370 -7.836 -25.015 1.00 0.00 H new ATOM 0 HB2 SER A 116 5.029 -9.091 -25.822 1.00 0.00 H new ATOM 0 HB3 SER A 116 3.570 -9.088 -26.793 1.00 0.00 H new ATOM 0 HG SER A 116 5.014 -7.361 -27.371 1.00 0.00 H new TER 1737 SER A 116 HETATM 1738 ZN ZN A 117 -2.886 16.947 19.206 1.00 0.00 ZN