USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 662 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 54 SER OG : rot -172:sc= 1.4 USER MOD Set 1.2: A 71 ASN : amide:sc= -0.266 K(o=1.1,f=-1.1!) USER MOD Set 2.1: A 43 THR OG1 : rot -59:sc= 1.16 USER MOD Set 2.2: A 68 HIS : no HD1:sc= 0.954 K(o=2.1,f=-3.6!) USER MOD Set 3.1: A 13 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 17 HIS : no HE2:sc= 0.951 K(o=0.95,f=-2.9!) USER MOD Set 4.1: A 12 GLN : amide:sc= 0.809 K(o=1.6,f=-2.2) USER MOD Set 4.2: A 49 ASN : amide:sc= 0.808 K(o=1.6,f=-1.5) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : A 14 GLN : amide:sc= 0.739 K(o=0.74,f=0) USER MOD Single : A 15 GLN : amide:sc= 0.844 K(o=0.84,f=-0.075) USER MOD Single : A 19 GLN : amide:sc= 0.905 K(o=0.9,f=0) USER MOD Single : A 23 ASN : amide:sc= 1.17 K(o=1.2,f=-0.7) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc=0.000887 USER MOD Single : A 40 LYS NZ :NH3+ -171:sc= 1.17 (180deg=1.1) USER MOD Single : A 41 ASN : amide:sc= 1.01 K(o=1,f=-0.072) USER MOD Single : A 45 LYS NZ :NH3+ -177:sc= 0.963 (180deg=0.891) USER MOD Single : A 47 TYR OH : rot 165:sc= 0.259 USER MOD Single : A 48 CYS SG : rot -150:sc= -1.32 USER MOD Single : A 53 GLN : amide:sc= 1.6 K(o=1.6,f=-7.6!) USER MOD Single : A 56 GLN : amide:sc= 0.0711 X(o=0.071,f=-0.12) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 76:sc= 1.27 USER MOD Single : A 64 MET CE :methyl 170:sc= 0 (180deg=-0.181) USER MOD Single : A 66 TYR OH : rot -161:sc= 1.29 USER MOD Single : A 67 THR OG1 : rot 180:sc=-0.00664 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 173:sc= 0 (180deg=-0.055) USER MOD Single : A 82 LYS NZ :NH3+ 156:sc= 1.27 (180deg=0.988) USER MOD Single : A 84 LYS NZ :NH3+ -172:sc= 1.24 (180deg=1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.168 0.063 0.874 1.00 0.00 N ATOM 2 CA ALA A 1 -0.124 -0.083 -0.600 1.00 0.00 C ATOM 3 C ALA A 1 0.815 -1.237 -0.986 1.00 0.00 C ATOM 4 O ALA A 1 1.915 -1.006 -1.493 1.00 0.00 O ATOM 5 CB ALA A 1 0.260 1.254 -1.273 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.805 0.845 1.127 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.517 -0.819 1.300 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.787 0.265 1.231 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.118 -0.338 -0.969 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.286 1.123 -2.355 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -0.477 2.015 -1.018 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.243 1.569 -0.922 1.00 0.00 H new ATOM 13 N GLU A 2 0.407 -2.491 -0.761 1.00 0.00 N ATOM 14 CA GLU A 2 1.162 -3.688 -1.125 1.00 0.00 C ATOM 15 C GLU A 2 0.173 -4.842 -1.333 1.00 0.00 C ATOM 16 O GLU A 2 -0.831 -4.932 -0.617 1.00 0.00 O ATOM 17 CB GLU A 2 2.146 -4.013 0.019 1.00 0.00 C ATOM 18 CG GLU A 2 3.005 -5.272 -0.201 1.00 0.00 C ATOM 19 CD GLU A 2 3.952 -5.573 0.976 1.00 0.00 C ATOM 20 OE1 GLU A 2 4.557 -4.640 1.549 1.00 0.00 O ATOM 21 OE2 GLU A 2 4.168 -6.768 1.289 1.00 0.00 O ATOM 0 H GLU A 2 -0.482 -2.703 -0.308 1.00 0.00 H new ATOM 0 HA GLU A 2 1.726 -3.533 -2.045 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.809 -3.159 0.162 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.579 -4.135 0.942 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.349 -6.128 -0.360 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.593 -5.148 -1.110 1.00 0.00 H new ATOM 28 N HIS A 3 0.502 -5.752 -2.250 1.00 0.00 N ATOM 29 CA HIS A 3 -0.146 -7.038 -2.463 1.00 0.00 C ATOM 30 C HIS A 3 0.942 -8.033 -2.858 1.00 0.00 C ATOM 31 O HIS A 3 1.987 -7.644 -3.383 1.00 0.00 O ATOM 32 CB HIS A 3 -1.179 -6.978 -3.602 1.00 0.00 C ATOM 33 CG HIS A 3 -2.395 -6.128 -3.336 1.00 0.00 C ATOM 34 ND1 HIS A 3 -3.359 -6.340 -2.373 1.00 0.00 N ATOM 35 CD2 HIS A 3 -2.792 -5.043 -4.070 1.00 0.00 C ATOM 36 CE1 HIS A 3 -4.303 -5.395 -2.516 1.00 0.00 C ATOM 37 NE2 HIS A 3 -4.007 -4.578 -3.545 1.00 0.00 N ATOM 0 H HIS A 3 1.273 -5.598 -2.900 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.667 -7.328 -1.550 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -0.684 -6.602 -4.497 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.509 -7.993 -3.823 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -2.261 -4.618 -4.909 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -5.179 -5.303 -1.891 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -4.555 -3.783 -3.875 1.00 0.00 H new ATOM 45 N TRP A 4 0.663 -9.323 -2.687 1.00 0.00 N ATOM 46 CA TRP A 4 1.495 -10.392 -3.208 1.00 0.00 C ATOM 47 C TRP A 4 0.613 -11.137 -4.197 1.00 0.00 C ATOM 48 O TRP A 4 -0.432 -11.671 -3.814 1.00 0.00 O ATOM 49 CB TRP A 4 1.949 -11.326 -2.080 1.00 0.00 C ATOM 50 CG TRP A 4 2.902 -10.762 -1.070 1.00 0.00 C ATOM 51 CD1 TRP A 4 2.607 -9.809 -0.157 1.00 0.00 C ATOM 52 CD2 TRP A 4 4.298 -11.123 -0.827 1.00 0.00 C ATOM 53 NE1 TRP A 4 3.711 -9.546 0.622 1.00 0.00 N ATOM 54 CE2 TRP A 4 4.768 -10.367 0.292 1.00 0.00 C ATOM 55 CE3 TRP A 4 5.216 -12.012 -1.432 1.00 0.00 C ATOM 56 CZ2 TRP A 4 6.069 -10.506 0.799 1.00 0.00 C ATOM 57 CZ3 TRP A 4 6.527 -12.145 -0.936 1.00 0.00 C ATOM 58 CH2 TRP A 4 6.954 -11.402 0.177 1.00 0.00 C ATOM 0 H TRP A 4 -0.156 -9.653 -2.177 1.00 0.00 H new ATOM 0 HA TRP A 4 2.401 -10.009 -3.677 1.00 0.00 H new ATOM 0 HB2 TRP A 4 1.062 -11.674 -1.551 1.00 0.00 H new ATOM 0 HB3 TRP A 4 2.414 -12.202 -2.532 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.647 -9.326 -0.054 1.00 0.00 H new ATOM 0 HE1 TRP A 4 3.743 -8.834 1.351 1.00 0.00 H new ATOM 0 HE3 TRP A 4 4.908 -12.597 -2.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.386 -9.931 1.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 7.213 -12.827 -1.417 1.00 0.00 H new ATOM 0 HH2 TRP A 4 7.960 -11.519 0.553 1.00 0.00 H new ATOM 69 N ILE A 5 1.012 -11.148 -5.463 1.00 0.00 N ATOM 70 CA ILE A 5 0.244 -11.700 -6.560 1.00 0.00 C ATOM 71 C ILE A 5 1.073 -12.858 -7.096 1.00 0.00 C ATOM 72 O ILE A 5 2.061 -12.681 -7.811 1.00 0.00 O ATOM 73 CB ILE A 5 -0.079 -10.609 -7.605 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.842 -9.400 -7.012 1.00 0.00 C ATOM 75 CG2 ILE A 5 -0.871 -11.212 -8.776 1.00 0.00 C ATOM 76 CD1 ILE A 5 -2.190 -9.694 -6.349 1.00 0.00 C ATOM 0 H ILE A 5 1.908 -10.760 -5.758 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.735 -12.069 -6.253 1.00 0.00 H new ATOM 0 HB ILE A 5 0.878 -10.229 -7.962 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.198 -8.920 -6.275 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.007 -8.677 -7.811 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.092 -10.433 -9.505 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.280 -11.995 -9.250 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.804 -11.636 -8.404 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.622 -8.766 -5.975 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.865 -10.140 -7.079 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.044 -10.386 -5.520 1.00 0.00 H new ATOM 88 N ASP A 6 0.705 -14.058 -6.675 1.00 0.00 N ATOM 89 CA ASP A 6 1.213 -15.282 -7.253 1.00 0.00 C ATOM 90 C ASP A 6 0.747 -15.327 -8.712 1.00 0.00 C ATOM 91 O ASP A 6 -0.450 -15.182 -8.977 1.00 0.00 O ATOM 92 CB ASP A 6 0.646 -16.460 -6.466 1.00 0.00 C ATOM 93 CG ASP A 6 1.079 -17.778 -7.085 1.00 0.00 C ATOM 94 OD1 ASP A 6 0.404 -18.189 -8.049 1.00 0.00 O ATOM 95 OD2 ASP A 6 2.034 -18.417 -6.587 1.00 0.00 O ATOM 0 H ASP A 6 0.040 -14.206 -5.916 1.00 0.00 H new ATOM 0 HA ASP A 6 2.301 -15.330 -7.214 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.985 -16.410 -5.431 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.442 -16.401 -6.448 1.00 0.00 H new ATOM 100 N VAL A 7 1.676 -15.529 -9.648 1.00 0.00 N ATOM 101 CA VAL A 7 1.407 -15.629 -11.085 1.00 0.00 C ATOM 102 C VAL A 7 1.629 -17.062 -11.585 1.00 0.00 C ATOM 103 O VAL A 7 1.780 -17.301 -12.787 1.00 0.00 O ATOM 104 CB VAL A 7 2.211 -14.567 -11.867 1.00 0.00 C ATOM 105 CG1 VAL A 7 1.798 -13.140 -11.476 1.00 0.00 C ATOM 106 CG2 VAL A 7 3.733 -14.712 -11.701 1.00 0.00 C ATOM 0 H VAL A 7 2.665 -15.631 -9.421 1.00 0.00 H new ATOM 0 HA VAL A 7 0.356 -15.408 -11.269 1.00 0.00 H new ATOM 0 HB VAL A 7 1.969 -14.744 -12.915 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.386 -12.422 -12.047 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.739 -12.996 -11.691 1.00 0.00 H new ATOM 0 HG13 VAL A 7 1.975 -12.989 -10.411 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.237 -13.935 -12.276 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.995 -14.612 -10.648 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.047 -15.692 -12.061 1.00 0.00 H new ATOM 116 N ARG A 8 1.692 -18.016 -10.655 1.00 0.00 N ATOM 117 CA ARG A 8 1.932 -19.429 -10.897 1.00 0.00 C ATOM 118 C ARG A 8 0.663 -20.057 -11.473 1.00 0.00 C ATOM 119 O ARG A 8 -0.424 -19.472 -11.395 1.00 0.00 O ATOM 120 CB ARG A 8 2.264 -20.047 -9.525 1.00 0.00 C ATOM 121 CG ARG A 8 3.179 -21.271 -9.496 1.00 0.00 C ATOM 122 CD ARG A 8 3.123 -21.988 -8.136 1.00 0.00 C ATOM 123 NE ARG A 8 3.005 -21.085 -6.974 1.00 0.00 N ATOM 124 CZ ARG A 8 2.671 -21.483 -5.744 1.00 0.00 C ATOM 125 NH1 ARG A 8 2.762 -22.753 -5.365 1.00 0.00 N ATOM 126 NH2 ARG A 8 2.200 -20.587 -4.894 1.00 0.00 N ATOM 0 H ARG A 8 1.570 -17.808 -9.664 1.00 0.00 H new ATOM 0 HA ARG A 8 2.744 -19.596 -11.605 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.722 -19.272 -8.911 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.324 -20.320 -9.045 1.00 0.00 H new ATOM 0 HG2 ARG A 8 2.886 -21.963 -10.285 1.00 0.00 H new ATOM 0 HG3 ARG A 8 4.204 -20.965 -9.705 1.00 0.00 H new ATOM 0 HD2 ARG A 8 2.276 -22.674 -8.135 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.022 -22.593 -8.021 1.00 0.00 H new ATOM 0 HE ARG A 8 3.191 -20.093 -7.120 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.096 -23.459 -6.022 1.00 0.00 H new ATOM 0 HH12 ARG A 8 2.498 -23.023 -4.417 1.00 0.00 H new ATOM 0 HH21 ARG A 8 2.098 -19.614 -5.183 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.938 -20.868 -3.949 1.00 0.00 H new ATOM 140 N VAL A 9 0.783 -21.272 -12.008 1.00 0.00 N ATOM 141 CA VAL A 9 -0.389 -22.056 -12.383 1.00 0.00 C ATOM 142 C VAL A 9 -1.229 -22.338 -11.121 1.00 0.00 C ATOM 143 O VAL A 9 -0.662 -22.621 -10.058 1.00 0.00 O ATOM 144 CB VAL A 9 0.015 -23.331 -13.157 1.00 0.00 C ATOM 145 CG1 VAL A 9 0.631 -22.958 -14.514 1.00 0.00 C ATOM 146 CG2 VAL A 9 0.998 -24.241 -12.402 1.00 0.00 C ATOM 0 H VAL A 9 1.676 -21.731 -12.190 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.014 -21.490 -13.074 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.908 -23.896 -13.286 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.911 -23.866 -15.048 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.097 -22.400 -15.103 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.517 -22.343 -14.355 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.230 -25.113 -13.014 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.915 -23.691 -12.192 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.547 -24.566 -11.465 1.00 0.00 H new ATOM 156 N PRO A 10 -2.570 -22.279 -11.207 1.00 0.00 N ATOM 157 CA PRO A 10 -3.429 -22.316 -10.029 1.00 0.00 C ATOM 158 C PRO A 10 -3.442 -23.690 -9.351 1.00 0.00 C ATOM 159 O PRO A 10 -3.730 -23.778 -8.158 1.00 0.00 O ATOM 160 CB PRO A 10 -4.817 -21.900 -10.525 1.00 0.00 C ATOM 161 CG PRO A 10 -4.814 -22.315 -11.994 1.00 0.00 C ATOM 162 CD PRO A 10 -3.366 -22.060 -12.408 1.00 0.00 C ATOM 0 HA PRO A 10 -3.063 -21.642 -9.255 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -5.608 -22.402 -9.968 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -4.978 -20.828 -10.412 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.094 -23.361 -12.121 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.515 -21.724 -12.584 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.062 -22.735 -13.208 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -3.239 -21.044 -12.783 1.00 0.00 H new ATOM 170 N GLU A 11 -3.130 -24.770 -10.073 1.00 0.00 N ATOM 171 CA GLU A 11 -3.066 -26.112 -9.496 1.00 0.00 C ATOM 172 C GLU A 11 -1.944 -26.184 -8.457 1.00 0.00 C ATOM 173 O GLU A 11 -2.149 -26.727 -7.371 1.00 0.00 O ATOM 174 CB GLU A 11 -2.854 -27.159 -10.601 1.00 0.00 C ATOM 175 CG GLU A 11 -4.059 -27.252 -11.549 1.00 0.00 C ATOM 176 CD GLU A 11 -3.864 -28.358 -12.601 1.00 0.00 C ATOM 177 OE1 GLU A 11 -4.252 -29.522 -12.350 1.00 0.00 O ATOM 178 OE2 GLU A 11 -3.338 -28.075 -13.702 1.00 0.00 O ATOM 0 H GLU A 11 -2.916 -24.737 -11.070 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.012 -26.329 -8.999 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.962 -26.905 -11.174 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.675 -28.133 -10.147 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.962 -27.452 -10.973 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.205 -26.294 -12.049 1.00 0.00 H new ATOM 185 N GLN A 12 -0.779 -25.596 -8.757 1.00 0.00 N ATOM 186 CA GLN A 12 0.350 -25.562 -7.832 1.00 0.00 C ATOM 187 C GLN A 12 0.076 -24.591 -6.680 1.00 0.00 C ATOM 188 O GLN A 12 0.430 -24.893 -5.540 1.00 0.00 O ATOM 189 CB GLN A 12 1.642 -25.186 -8.568 1.00 0.00 C ATOM 190 CG GLN A 12 2.195 -26.316 -9.449 1.00 0.00 C ATOM 191 CD GLN A 12 3.527 -25.934 -10.103 1.00 0.00 C ATOM 192 OE1 GLN A 12 4.356 -25.238 -9.519 1.00 0.00 O ATOM 193 NE2 GLN A 12 3.772 -26.372 -11.327 1.00 0.00 N ATOM 0 H GLN A 12 -0.597 -25.133 -9.647 1.00 0.00 H new ATOM 0 HA GLN A 12 0.478 -26.559 -7.411 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.455 -24.310 -9.189 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.399 -24.903 -7.836 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.332 -27.213 -8.845 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.468 -26.561 -10.223 1.00 0.00 H new ATOM 0 HE21 GLN A 12 3.083 -26.949 -11.810 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.650 -26.133 -11.788 1.00 0.00 H new ATOM 202 N TYR A 13 -0.589 -23.459 -6.940 1.00 0.00 N ATOM 203 CA TYR A 13 -0.988 -22.525 -5.887 1.00 0.00 C ATOM 204 C TYR A 13 -1.867 -23.220 -4.843 1.00 0.00 C ATOM 205 O TYR A 13 -1.685 -23.021 -3.642 1.00 0.00 O ATOM 206 CB TYR A 13 -1.719 -21.329 -6.506 1.00 0.00 C ATOM 207 CG TYR A 13 -2.148 -20.274 -5.505 1.00 0.00 C ATOM 208 CD1 TYR A 13 -1.230 -19.291 -5.096 1.00 0.00 C ATOM 209 CD2 TYR A 13 -3.469 -20.241 -5.015 1.00 0.00 C ATOM 210 CE1 TYR A 13 -1.631 -18.250 -4.241 1.00 0.00 C ATOM 211 CE2 TYR A 13 -3.874 -19.217 -4.138 1.00 0.00 C ATOM 212 CZ TYR A 13 -2.957 -18.209 -3.754 1.00 0.00 C ATOM 213 OH TYR A 13 -3.336 -17.189 -2.934 1.00 0.00 O ATOM 0 H TYR A 13 -0.863 -23.169 -7.879 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.093 -22.167 -5.379 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.069 -20.866 -7.249 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.601 -21.691 -7.035 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.208 -19.336 -5.442 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.173 -21.004 -5.313 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.927 -17.482 -3.957 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.885 -19.200 -3.758 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.277 -17.302 -2.685 1.00 0.00 H new ATOM 223 N GLN A 14 -2.791 -24.078 -5.286 1.00 0.00 N ATOM 224 CA GLN A 14 -3.644 -24.846 -4.387 1.00 0.00 C ATOM 225 C GLN A 14 -2.853 -25.876 -3.566 1.00 0.00 C ATOM 226 O GLN A 14 -3.365 -26.318 -2.537 1.00 0.00 O ATOM 227 CB GLN A 14 -4.771 -25.514 -5.190 1.00 0.00 C ATOM 228 CG GLN A 14 -5.826 -24.490 -5.636 1.00 0.00 C ATOM 229 CD GLN A 14 -6.752 -25.073 -6.700 1.00 0.00 C ATOM 230 OE1 GLN A 14 -7.813 -25.621 -6.406 1.00 0.00 O ATOM 231 NE2 GLN A 14 -6.362 -24.973 -7.960 1.00 0.00 N ATOM 0 H GLN A 14 -2.965 -24.256 -6.275 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.081 -24.156 -3.665 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.351 -26.010 -6.065 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.245 -26.285 -4.583 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.414 -24.172 -4.775 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.330 -23.602 -6.029 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.479 -24.515 -8.186 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.944 -25.354 -8.706 1.00 0.00 H new ATOM 240 N GLN A 15 -1.632 -26.260 -3.968 1.00 0.00 N ATOM 241 CA GLN A 15 -0.808 -27.150 -3.156 1.00 0.00 C ATOM 242 C GLN A 15 -0.170 -26.374 -2.007 1.00 0.00 C ATOM 243 O GLN A 15 -0.217 -26.842 -0.869 1.00 0.00 O ATOM 244 CB GLN A 15 0.267 -27.883 -3.981 1.00 0.00 C ATOM 245 CG GLN A 15 -0.255 -28.617 -5.226 1.00 0.00 C ATOM 246 CD GLN A 15 -1.555 -29.394 -5.001 1.00 0.00 C ATOM 247 OE1 GLN A 15 -1.611 -30.341 -4.220 1.00 0.00 O ATOM 248 NE2 GLN A 15 -2.625 -29.007 -5.678 1.00 0.00 N ATOM 0 H GLN A 15 -1.201 -25.967 -4.845 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.467 -27.918 -2.751 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.019 -27.159 -4.294 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.768 -28.605 -3.336 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.413 -27.890 -6.022 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.512 -29.309 -5.574 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -2.563 -28.219 -6.323 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.511 -29.497 -5.555 1.00 0.00 H new ATOM 257 N GLU A 16 0.383 -25.188 -2.277 1.00 0.00 N ATOM 258 CA GLU A 16 0.931 -24.314 -1.244 1.00 0.00 C ATOM 259 C GLU A 16 1.045 -22.874 -1.754 1.00 0.00 C ATOM 260 O GLU A 16 1.382 -22.648 -2.922 1.00 0.00 O ATOM 261 CB GLU A 16 2.312 -24.828 -0.795 1.00 0.00 C ATOM 262 CG GLU A 16 2.742 -24.222 0.544 1.00 0.00 C ATOM 263 CD GLU A 16 4.100 -24.773 0.990 1.00 0.00 C ATOM 264 OE1 GLU A 16 5.142 -24.197 0.605 1.00 0.00 O ATOM 265 OE2 GLU A 16 4.124 -25.761 1.757 1.00 0.00 O ATOM 0 H GLU A 16 0.462 -24.809 -3.221 1.00 0.00 H new ATOM 0 HA GLU A 16 0.253 -24.323 -0.391 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.284 -25.914 -0.709 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.054 -24.587 -1.557 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.798 -23.137 0.454 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.991 -24.440 1.303 1.00 0.00 H new ATOM 272 N HIS A 17 0.835 -21.895 -0.871 1.00 0.00 N ATOM 273 CA HIS A 17 1.040 -20.475 -1.138 1.00 0.00 C ATOM 274 C HIS A 17 1.329 -19.719 0.162 1.00 0.00 C ATOM 275 O HIS A 17 1.142 -20.264 1.252 1.00 0.00 O ATOM 276 CB HIS A 17 -0.182 -19.901 -1.868 1.00 0.00 C ATOM 277 CG HIS A 17 -1.529 -20.184 -1.246 1.00 0.00 C ATOM 278 ND1 HIS A 17 -2.319 -21.280 -1.506 1.00 0.00 N ATOM 279 CD2 HIS A 17 -2.257 -19.347 -0.443 1.00 0.00 C ATOM 280 CE1 HIS A 17 -3.489 -21.114 -0.869 1.00 0.00 C ATOM 281 NE2 HIS A 17 -3.503 -19.945 -0.202 1.00 0.00 N ATOM 0 H HIS A 17 0.508 -22.077 0.078 1.00 0.00 H new ATOM 0 HA HIS A 17 1.909 -20.353 -1.784 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.060 -18.820 -1.942 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.187 -20.291 -2.886 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -2.060 -22.080 -2.083 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -1.929 -18.392 -0.061 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.306 -21.820 -0.889 1.00 0.00 H new ATOM 289 N VAL A 18 1.808 -18.475 0.047 1.00 0.00 N ATOM 290 CA VAL A 18 2.063 -17.590 1.183 1.00 0.00 C ATOM 291 C VAL A 18 0.736 -17.302 1.898 1.00 0.00 C ATOM 292 O VAL A 18 -0.297 -17.108 1.254 1.00 0.00 O ATOM 293 CB VAL A 18 2.748 -16.287 0.698 1.00 0.00 C ATOM 294 CG1 VAL A 18 3.034 -15.308 1.849 1.00 0.00 C ATOM 295 CG2 VAL A 18 4.083 -16.570 -0.007 1.00 0.00 C ATOM 0 H VAL A 18 2.032 -18.051 -0.853 1.00 0.00 H new ATOM 0 HA VAL A 18 2.740 -18.070 1.890 1.00 0.00 H new ATOM 0 HB VAL A 18 2.039 -15.838 0.002 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.514 -14.413 1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.097 -15.034 2.334 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.694 -15.783 2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.530 -15.630 -0.331 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.759 -17.074 0.683 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.909 -17.207 -0.874 1.00 0.00 H new ATOM 305 N GLN A 19 0.776 -17.216 3.229 1.00 0.00 N ATOM 306 CA GLN A 19 -0.343 -16.888 4.113 1.00 0.00 C ATOM 307 C GLN A 19 -0.693 -15.384 4.056 1.00 0.00 C ATOM 308 O GLN A 19 -0.799 -14.720 5.090 1.00 0.00 O ATOM 309 CB GLN A 19 0.028 -17.397 5.523 1.00 0.00 C ATOM 310 CG GLN A 19 -1.155 -17.574 6.486 1.00 0.00 C ATOM 311 CD GLN A 19 -0.688 -18.098 7.846 1.00 0.00 C ATOM 312 OE1 GLN A 19 -0.703 -17.381 8.844 1.00 0.00 O ATOM 313 NE2 GLN A 19 -0.255 -19.348 7.929 1.00 0.00 N ATOM 0 H GLN A 19 1.638 -17.383 3.747 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.260 -17.382 3.793 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.541 -18.354 5.423 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.737 -16.700 5.969 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.667 -16.620 6.617 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.878 -18.267 6.055 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.244 -19.940 7.099 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.067 -19.718 8.823 1.00 0.00 H new ATOM 322 N GLY A 20 -0.820 -14.815 2.854 1.00 0.00 N ATOM 323 CA GLY A 20 -1.084 -13.394 2.656 1.00 0.00 C ATOM 324 C GLY A 20 -0.920 -12.987 1.195 1.00 0.00 C ATOM 325 O GLY A 20 -0.183 -12.041 0.912 1.00 0.00 O ATOM 0 H GLY A 20 -0.741 -15.338 1.982 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.097 -13.163 2.987 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.405 -12.808 3.275 1.00 0.00 H new ATOM 329 N ALA A 21 -1.538 -13.724 0.266 1.00 0.00 N ATOM 330 CA ALA A 21 -1.375 -13.532 -1.172 1.00 0.00 C ATOM 331 C ALA A 21 -2.689 -13.784 -1.922 1.00 0.00 C ATOM 332 O ALA A 21 -3.661 -14.282 -1.348 1.00 0.00 O ATOM 333 CB ALA A 21 -0.282 -14.483 -1.678 1.00 0.00 C ATOM 0 H ALA A 21 -2.177 -14.484 0.501 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.086 -12.498 -1.360 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.151 -14.349 -2.752 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.656 -14.264 -1.168 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.573 -15.513 -1.474 1.00 0.00 H new ATOM 339 N ILE A 22 -2.677 -13.461 -3.215 1.00 0.00 N ATOM 340 CA ILE A 22 -3.725 -13.724 -4.198 1.00 0.00 C ATOM 341 C ILE A 22 -3.060 -14.565 -5.296 1.00 0.00 C ATOM 342 O ILE A 22 -1.853 -14.429 -5.509 1.00 0.00 O ATOM 343 CB ILE A 22 -4.252 -12.397 -4.817 1.00 0.00 C ATOM 344 CG1 ILE A 22 -4.324 -11.174 -3.868 1.00 0.00 C ATOM 345 CG2 ILE A 22 -5.613 -12.598 -5.511 1.00 0.00 C ATOM 346 CD1 ILE A 22 -5.342 -11.286 -2.725 1.00 0.00 C ATOM 0 H ILE A 22 -1.881 -12.976 -3.630 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.574 -14.230 -3.738 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.482 -12.144 -5.546 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.336 -11.011 -3.437 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.563 -10.290 -4.459 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.950 -11.651 -5.932 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.509 -13.333 -6.309 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.343 -12.953 -4.784 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.312 -10.379 -2.121 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.342 -11.413 -3.140 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.096 -12.145 -2.101 1.00 0.00 H new ATOM 358 N ASN A 23 -3.830 -15.360 -6.044 1.00 0.00 N ATOM 359 CA ASN A 23 -3.355 -15.997 -7.271 1.00 0.00 C ATOM 360 C ASN A 23 -4.085 -15.361 -8.434 1.00 0.00 C ATOM 361 O ASN A 23 -5.319 -15.294 -8.448 1.00 0.00 O ATOM 362 CB ASN A 23 -3.572 -17.512 -7.283 1.00 0.00 C ATOM 363 CG ASN A 23 -3.371 -18.113 -8.676 1.00 0.00 C ATOM 364 OD1 ASN A 23 -4.341 -18.399 -9.366 1.00 0.00 O ATOM 365 ND2 ASN A 23 -2.143 -18.306 -9.134 1.00 0.00 N ATOM 0 H ASN A 23 -4.799 -15.579 -5.814 1.00 0.00 H new ATOM 0 HA ASN A 23 -2.278 -15.845 -7.342 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.881 -17.982 -6.583 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.580 -17.736 -6.934 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.002 -18.695 -10.066 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.339 -18.066 -8.554 1.00 0.00 H new ATOM 372 N ILE A 24 -3.302 -14.913 -9.406 1.00 0.00 N ATOM 373 CA ILE A 24 -3.774 -14.431 -10.687 1.00 0.00 C ATOM 374 C ILE A 24 -2.721 -14.955 -11.673 1.00 0.00 C ATOM 375 O ILE A 24 -1.645 -14.362 -11.741 1.00 0.00 O ATOM 376 CB ILE A 24 -3.910 -12.883 -10.719 1.00 0.00 C ATOM 377 CG1 ILE A 24 -4.518 -12.241 -9.450 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.708 -12.522 -11.969 1.00 0.00 C ATOM 379 CD1 ILE A 24 -4.608 -10.708 -9.465 1.00 0.00 C ATOM 0 H ILE A 24 -2.287 -14.876 -9.316 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.778 -14.780 -10.928 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.904 -12.465 -10.746 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.520 -12.645 -9.303 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.922 -12.545 -8.589 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.825 -11.440 -12.026 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.179 -12.877 -12.853 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.691 -12.991 -11.921 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.048 -10.360 -8.530 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.609 -10.286 -9.575 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.231 -10.388 -10.300 1.00 0.00 H new ATOM 391 N PRO A 25 -2.952 -16.082 -12.376 1.00 0.00 N ATOM 392 CA PRO A 25 -1.921 -16.702 -13.203 1.00 0.00 C ATOM 393 C PRO A 25 -1.478 -15.714 -14.286 1.00 0.00 C ATOM 394 O PRO A 25 -2.260 -14.853 -14.685 1.00 0.00 O ATOM 395 CB PRO A 25 -2.544 -17.992 -13.750 1.00 0.00 C ATOM 396 CG PRO A 25 -4.047 -17.730 -13.708 1.00 0.00 C ATOM 397 CD PRO A 25 -4.217 -16.787 -12.516 1.00 0.00 C ATOM 0 HA PRO A 25 -1.013 -16.954 -12.655 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.204 -18.199 -14.765 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.273 -18.854 -13.141 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.400 -17.274 -14.633 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.611 -18.653 -13.572 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.036 -16.088 -12.686 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.455 -17.344 -11.610 1.00 0.00 H new ATOM 405 N LEU A 26 -0.240 -15.820 -14.775 1.00 0.00 N ATOM 406 CA LEU A 26 0.379 -14.793 -15.624 1.00 0.00 C ATOM 407 C LEU A 26 -0.470 -14.386 -16.843 1.00 0.00 C ATOM 408 O LEU A 26 -0.564 -13.203 -17.169 1.00 0.00 O ATOM 409 CB LEU A 26 1.783 -15.284 -16.028 1.00 0.00 C ATOM 410 CG LEU A 26 2.640 -14.277 -16.822 1.00 0.00 C ATOM 411 CD1 LEU A 26 2.708 -12.904 -16.148 1.00 0.00 C ATOM 412 CD2 LEU A 26 4.065 -14.829 -16.947 1.00 0.00 C ATOM 0 H LEU A 26 0.365 -16.621 -14.594 1.00 0.00 H new ATOM 0 HA LEU A 26 0.454 -13.874 -15.043 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.325 -15.561 -15.124 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.674 -16.190 -16.624 1.00 0.00 H new ATOM 0 HG LEU A 26 2.173 -14.147 -17.798 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.323 -12.234 -16.748 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.703 -12.492 -16.060 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.146 -13.007 -15.155 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.680 -14.125 -17.507 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.489 -14.970 -15.953 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.040 -15.785 -17.470 1.00 0.00 H new ATOM 424 N LYS A 27 -1.142 -15.340 -17.492 1.00 0.00 N ATOM 425 CA LYS A 27 -2.044 -15.069 -18.612 1.00 0.00 C ATOM 426 C LYS A 27 -3.243 -14.204 -18.207 1.00 0.00 C ATOM 427 O LYS A 27 -3.731 -13.425 -19.024 1.00 0.00 O ATOM 428 CB LYS A 27 -2.491 -16.387 -19.275 1.00 0.00 C ATOM 429 CG LYS A 27 -3.330 -17.307 -18.364 1.00 0.00 C ATOM 430 CD LYS A 27 -3.646 -18.666 -19.009 1.00 0.00 C ATOM 431 CE LYS A 27 -4.542 -18.529 -20.251 1.00 0.00 C ATOM 432 NZ LYS A 27 -4.892 -19.846 -20.838 1.00 0.00 N ATOM 0 H LYS A 27 -1.074 -16.329 -17.253 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.486 -14.487 -19.346 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.072 -16.152 -20.167 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.606 -16.932 -19.605 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.793 -17.471 -17.429 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.264 -16.805 -18.112 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.714 -19.158 -19.288 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.138 -19.307 -18.278 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.456 -17.999 -19.981 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.032 -17.923 -21.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.497 -19.705 -21.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.023 -20.342 -21.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.402 -20.416 -20.133 1.00 0.00 H new ATOM 446 N GLU A 28 -3.721 -14.331 -16.967 1.00 0.00 N ATOM 447 CA GLU A 28 -4.811 -13.530 -16.427 1.00 0.00 C ATOM 448 C GLU A 28 -4.296 -12.211 -15.882 1.00 0.00 C ATOM 449 O GLU A 28 -4.960 -11.201 -16.077 1.00 0.00 O ATOM 450 CB GLU A 28 -5.544 -14.277 -15.297 1.00 0.00 C ATOM 451 CG GLU A 28 -6.866 -14.875 -15.788 1.00 0.00 C ATOM 452 CD GLU A 28 -7.556 -15.718 -14.702 1.00 0.00 C ATOM 453 OE1 GLU A 28 -7.797 -15.195 -13.591 1.00 0.00 O ATOM 454 OE2 GLU A 28 -7.887 -16.897 -14.965 1.00 0.00 O ATOM 0 H GLU A 28 -3.351 -15.008 -16.300 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.505 -13.342 -17.246 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.905 -15.071 -14.910 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.737 -13.592 -14.471 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.533 -14.072 -16.102 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.680 -15.495 -16.665 1.00 0.00 H new ATOM 461 N VAL A 29 -3.148 -12.191 -15.197 1.00 0.00 N ATOM 462 CA VAL A 29 -2.699 -11.015 -14.443 1.00 0.00 C ATOM 463 C VAL A 29 -2.603 -9.797 -15.348 1.00 0.00 C ATOM 464 O VAL A 29 -2.995 -8.705 -14.953 1.00 0.00 O ATOM 465 CB VAL A 29 -1.402 -11.323 -13.661 1.00 0.00 C ATOM 466 CG1 VAL A 29 -0.095 -11.092 -14.431 1.00 0.00 C ATOM 467 CG2 VAL A 29 -1.323 -10.519 -12.357 1.00 0.00 C ATOM 0 H VAL A 29 -2.507 -12.983 -15.149 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.445 -10.765 -13.689 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.480 -12.393 -13.468 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.753 -11.338 -13.791 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.077 -11.727 -15.317 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.030 -10.047 -14.733 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.398 -10.762 -11.835 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.342 -9.453 -12.585 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.174 -10.769 -11.723 1.00 0.00 H new ATOM 477 N LYS A 30 -2.192 -10.013 -16.595 1.00 0.00 N ATOM 478 CA LYS A 30 -2.057 -8.981 -17.611 1.00 0.00 C ATOM 479 C LYS A 30 -3.380 -8.293 -17.989 1.00 0.00 C ATOM 480 O LYS A 30 -3.372 -7.328 -18.751 1.00 0.00 O ATOM 481 CB LYS A 30 -1.336 -9.612 -18.815 1.00 0.00 C ATOM 482 CG LYS A 30 -0.570 -8.556 -19.625 1.00 0.00 C ATOM 483 CD LYS A 30 0.126 -9.198 -20.829 1.00 0.00 C ATOM 484 CE LYS A 30 0.862 -8.133 -21.654 1.00 0.00 C ATOM 485 NZ LYS A 30 1.496 -8.703 -22.870 1.00 0.00 N ATOM 0 H LYS A 30 -1.937 -10.941 -16.933 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.465 -8.159 -17.208 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.644 -10.378 -18.466 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.063 -10.109 -19.457 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.258 -7.782 -19.966 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.169 -8.068 -18.989 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.832 -9.955 -20.488 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.609 -9.707 -21.453 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.160 -7.352 -21.945 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.626 -7.661 -21.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.981 -7.948 -23.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.186 -9.430 -22.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.766 -9.131 -23.474 1.00 0.00 H new ATOM 499 N GLU A 31 -4.515 -8.740 -17.456 1.00 0.00 N ATOM 500 CA GLU A 31 -5.790 -8.055 -17.549 1.00 0.00 C ATOM 501 C GLU A 31 -6.375 -7.896 -16.142 1.00 0.00 C ATOM 502 O GLU A 31 -6.715 -6.792 -15.724 1.00 0.00 O ATOM 503 CB GLU A 31 -6.698 -8.857 -18.493 1.00 0.00 C ATOM 504 CG GLU A 31 -8.086 -8.223 -18.617 1.00 0.00 C ATOM 505 CD GLU A 31 -8.952 -8.948 -19.663 1.00 0.00 C ATOM 506 OE1 GLU A 31 -9.659 -9.919 -19.309 1.00 0.00 O ATOM 507 OE2 GLU A 31 -8.955 -8.542 -20.847 1.00 0.00 O ATOM 0 H GLU A 31 -4.568 -9.614 -16.934 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.684 -7.052 -17.963 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.236 -8.917 -19.478 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.796 -9.878 -18.124 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.586 -8.250 -17.649 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.983 -7.174 -18.894 1.00 0.00 H new ATOM 514 N ARG A 32 -6.444 -8.988 -15.379 1.00 0.00 N ATOM 515 CA ARG A 32 -7.114 -9.064 -14.085 1.00 0.00 C ATOM 516 C ARG A 32 -6.440 -8.204 -13.016 1.00 0.00 C ATOM 517 O ARG A 32 -7.123 -7.796 -12.076 1.00 0.00 O ATOM 518 CB ARG A 32 -7.255 -10.546 -13.684 1.00 0.00 C ATOM 519 CG ARG A 32 -7.918 -10.760 -12.313 1.00 0.00 C ATOM 520 CD ARG A 32 -8.404 -12.209 -12.131 1.00 0.00 C ATOM 521 NE ARG A 32 -8.454 -12.588 -10.703 1.00 0.00 N ATOM 522 CZ ARG A 32 -7.953 -13.708 -10.154 1.00 0.00 C ATOM 523 NH1 ARG A 32 -7.527 -14.725 -10.897 1.00 0.00 N ATOM 524 NH2 ARG A 32 -7.850 -13.808 -8.833 1.00 0.00 N ATOM 0 H ARG A 32 -6.020 -9.873 -15.657 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.112 -8.636 -14.175 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.840 -11.064 -14.444 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.267 -11.005 -13.674 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.208 -10.513 -11.524 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.762 -10.078 -12.207 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.394 -12.320 -12.573 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.739 -12.887 -12.665 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.915 -11.934 -10.071 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.575 -14.669 -11.914 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.152 -15.561 -10.450 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.151 -13.036 -8.238 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.470 -14.657 -8.414 1.00 0.00 H new ATOM 538 N ILE A 33 -5.149 -7.870 -13.140 1.00 0.00 N ATOM 539 CA ILE A 33 -4.530 -6.935 -12.197 1.00 0.00 C ATOM 540 C ILE A 33 -5.251 -5.588 -12.248 1.00 0.00 C ATOM 541 O ILE A 33 -5.400 -4.956 -11.209 1.00 0.00 O ATOM 542 CB ILE A 33 -3.008 -6.779 -12.418 1.00 0.00 C ATOM 543 CG1 ILE A 33 -2.296 -6.158 -11.189 1.00 0.00 C ATOM 544 CG2 ILE A 33 -2.697 -5.954 -13.680 1.00 0.00 C ATOM 545 CD1 ILE A 33 -2.135 -7.146 -10.029 1.00 0.00 C ATOM 0 H ILE A 33 -4.527 -8.224 -13.866 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.640 -7.354 -11.197 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.618 -7.787 -12.558 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.313 -5.796 -11.490 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.863 -5.293 -10.846 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.617 -5.867 -13.801 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.121 -6.451 -14.553 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.132 -4.960 -13.581 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.630 -6.653 -9.198 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.117 -7.489 -9.704 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.543 -8.000 -10.358 1.00 0.00 H new ATOM 557 N ALA A 34 -5.753 -5.167 -13.417 1.00 0.00 N ATOM 558 CA ALA A 34 -6.493 -3.915 -13.519 1.00 0.00 C ATOM 559 C ALA A 34 -7.736 -3.930 -12.624 1.00 0.00 C ATOM 560 O ALA A 34 -8.065 -2.923 -11.999 1.00 0.00 O ATOM 561 CB ALA A 34 -6.888 -3.657 -14.974 1.00 0.00 C ATOM 0 H ALA A 34 -5.658 -5.675 -14.296 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.845 -3.108 -13.177 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.440 -2.720 -15.040 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.990 -3.593 -15.589 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.515 -4.474 -15.331 1.00 0.00 H new ATOM 567 N THR A 35 -8.413 -5.074 -12.550 1.00 0.00 N ATOM 568 CA THR A 35 -9.591 -5.272 -11.721 1.00 0.00 C ATOM 569 C THR A 35 -9.196 -5.312 -10.237 1.00 0.00 C ATOM 570 O THR A 35 -9.866 -4.710 -9.395 1.00 0.00 O ATOM 571 CB THR A 35 -10.293 -6.577 -12.157 1.00 0.00 C ATOM 572 OG1 THR A 35 -10.265 -6.714 -13.571 1.00 0.00 O ATOM 573 CG2 THR A 35 -11.752 -6.615 -11.692 1.00 0.00 C ATOM 0 H THR A 35 -8.148 -5.905 -13.078 1.00 0.00 H new ATOM 0 HA THR A 35 -10.284 -4.441 -11.850 1.00 0.00 H new ATOM 0 HB THR A 35 -9.749 -7.399 -11.692 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.713 -7.547 -13.828 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.213 -7.548 -12.017 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.789 -6.552 -10.604 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.293 -5.773 -12.123 1.00 0.00 H new ATOM 581 N ALA A 36 -8.106 -6.017 -9.916 1.00 0.00 N ATOM 582 CA ALA A 36 -7.714 -6.309 -8.541 1.00 0.00 C ATOM 583 C ALA A 36 -6.976 -5.141 -7.873 1.00 0.00 C ATOM 584 O ALA A 36 -7.112 -4.940 -6.665 1.00 0.00 O ATOM 585 CB ALA A 36 -6.837 -7.568 -8.532 1.00 0.00 C ATOM 0 H ALA A 36 -7.468 -6.403 -10.612 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.622 -6.472 -7.961 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.538 -7.796 -7.509 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.400 -8.407 -8.941 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.949 -7.397 -9.140 1.00 0.00 H new ATOM 591 N VAL A 37 -6.196 -4.383 -8.645 1.00 0.00 N ATOM 592 CA VAL A 37 -5.249 -3.374 -8.179 1.00 0.00 C ATOM 593 C VAL A 37 -5.237 -2.196 -9.178 1.00 0.00 C ATOM 594 O VAL A 37 -4.234 -1.967 -9.856 1.00 0.00 O ATOM 595 CB VAL A 37 -3.839 -3.996 -7.980 1.00 0.00 C ATOM 596 CG1 VAL A 37 -2.972 -3.059 -7.127 1.00 0.00 C ATOM 597 CG2 VAL A 37 -3.826 -5.389 -7.328 1.00 0.00 C ATOM 0 H VAL A 37 -6.210 -4.461 -9.662 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.559 -2.992 -7.206 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.443 -4.120 -8.988 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.985 -3.500 -6.991 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.873 -2.097 -7.629 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.442 -2.914 -6.154 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.797 -5.737 -7.233 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.283 -5.333 -6.340 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.389 -6.086 -7.949 1.00 0.00 H new ATOM 607 N PRO A 38 -6.330 -1.426 -9.315 1.00 0.00 N ATOM 608 CA PRO A 38 -6.382 -0.289 -10.237 1.00 0.00 C ATOM 609 C PRO A 38 -5.455 0.873 -9.829 1.00 0.00 C ATOM 610 O PRO A 38 -5.251 1.797 -10.618 1.00 0.00 O ATOM 611 CB PRO A 38 -7.854 0.143 -10.258 1.00 0.00 C ATOM 612 CG PRO A 38 -8.388 -0.312 -8.901 1.00 0.00 C ATOM 613 CD PRO A 38 -7.603 -1.594 -8.632 1.00 0.00 C ATOM 0 HA PRO A 38 -6.021 -0.579 -11.223 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.953 1.221 -10.385 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.397 -0.326 -11.079 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.215 0.437 -8.128 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.462 -0.496 -8.931 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.457 -1.746 -7.563 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.137 -2.467 -9.008 1.00 0.00 H new ATOM 621 N ASP A 39 -4.915 0.862 -8.603 1.00 0.00 N ATOM 622 CA ASP A 39 -4.150 1.969 -8.024 1.00 0.00 C ATOM 623 C ASP A 39 -2.808 2.231 -8.725 1.00 0.00 C ATOM 624 O ASP A 39 -2.361 3.376 -8.770 1.00 0.00 O ATOM 625 CB ASP A 39 -3.912 1.676 -6.538 1.00 0.00 C ATOM 626 CG ASP A 39 -3.114 2.797 -5.860 1.00 0.00 C ATOM 627 OD1 ASP A 39 -3.691 3.873 -5.580 1.00 0.00 O ATOM 628 OD2 ASP A 39 -1.916 2.581 -5.581 1.00 0.00 O ATOM 0 H ASP A 39 -5.001 0.064 -7.974 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.741 2.875 -8.161 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.870 1.555 -6.033 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.375 0.733 -6.434 1.00 0.00 H new ATOM 633 N LYS A 40 -2.179 1.188 -9.289 1.00 0.00 N ATOM 634 CA LYS A 40 -0.861 1.159 -9.960 1.00 0.00 C ATOM 635 C LYS A 40 0.360 1.605 -9.138 1.00 0.00 C ATOM 636 O LYS A 40 1.455 1.102 -9.393 1.00 0.00 O ATOM 637 CB LYS A 40 -0.907 1.866 -11.328 1.00 0.00 C ATOM 638 CG LYS A 40 -1.830 1.140 -12.319 1.00 0.00 C ATOM 639 CD LYS A 40 -1.587 1.583 -13.767 1.00 0.00 C ATOM 640 CE LYS A 40 -2.522 0.810 -14.707 1.00 0.00 C ATOM 641 NZ LYS A 40 -2.234 1.083 -16.137 1.00 0.00 N ATOM 0 H LYS A 40 -2.612 0.264 -9.290 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.685 0.092 -10.099 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.252 2.891 -11.195 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.100 1.920 -11.743 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.673 0.064 -12.239 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.869 1.331 -12.052 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.762 2.654 -13.864 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.548 1.404 -14.043 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.423 -0.259 -14.516 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.556 1.078 -14.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.980 0.664 -16.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.204 2.110 -16.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.316 0.666 -16.392 1.00 0.00 H new ATOM 655 N ASN A 41 0.193 2.484 -8.151 1.00 0.00 N ATOM 656 CA ASN A 41 1.199 2.843 -7.148 1.00 0.00 C ATOM 657 C ASN A 41 1.385 1.715 -6.122 1.00 0.00 C ATOM 658 O ASN A 41 2.374 1.716 -5.390 1.00 0.00 O ATOM 659 CB ASN A 41 0.785 4.178 -6.488 1.00 0.00 C ATOM 660 CG ASN A 41 1.085 4.273 -4.993 1.00 0.00 C ATOM 661 OD1 ASN A 41 2.109 4.808 -4.575 1.00 0.00 O ATOM 662 ND2 ASN A 41 0.172 3.789 -4.166 1.00 0.00 N ATOM 0 H ASN A 41 -0.684 2.988 -8.021 1.00 0.00 H new ATOM 0 HA ASN A 41 2.169 2.978 -7.626 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.296 4.994 -6.999 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -0.284 4.326 -6.640 1.00 0.00 H new ATOM 0 HD21 ASN A 41 0.311 3.856 -3.158 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -0.670 3.349 -4.537 1.00 0.00 H new ATOM 669 N ASP A 42 0.455 0.758 -6.051 1.00 0.00 N ATOM 670 CA ASP A 42 0.532 -0.362 -5.122 1.00 0.00 C ATOM 671 C ASP A 42 1.810 -1.166 -5.333 1.00 0.00 C ATOM 672 O ASP A 42 2.236 -1.386 -6.472 1.00 0.00 O ATOM 673 CB ASP A 42 -0.646 -1.310 -5.301 1.00 0.00 C ATOM 674 CG ASP A 42 -0.780 -2.197 -4.066 1.00 0.00 C ATOM 675 OD1 ASP A 42 -1.431 -1.753 -3.095 1.00 0.00 O ATOM 676 OD2 ASP A 42 -0.193 -3.298 -4.068 1.00 0.00 O ATOM 0 H ASP A 42 -0.376 0.743 -6.642 1.00 0.00 H new ATOM 0 HA ASP A 42 0.519 0.066 -4.120 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.563 -0.742 -5.455 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.500 -1.925 -6.189 1.00 0.00 H new ATOM 681 N THR A 43 2.393 -1.643 -4.239 1.00 0.00 N ATOM 682 CA THR A 43 3.521 -2.543 -4.277 1.00 0.00 C ATOM 683 C THR A 43 3.043 -3.947 -4.656 1.00 0.00 C ATOM 684 O THR A 43 2.821 -4.795 -3.791 1.00 0.00 O ATOM 685 CB THR A 43 4.300 -2.492 -2.959 1.00 0.00 C ATOM 686 OG1 THR A 43 4.593 -1.154 -2.602 1.00 0.00 O ATOM 687 CG2 THR A 43 5.595 -3.269 -3.137 1.00 0.00 C ATOM 0 H THR A 43 2.086 -1.408 -3.295 1.00 0.00 H new ATOM 0 HA THR A 43 4.226 -2.229 -5.047 1.00 0.00 H new ATOM 0 HB THR A 43 3.697 -2.931 -2.164 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.123 -0.734 -3.312 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.165 -3.244 -2.208 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.366 -4.303 -3.395 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.184 -2.817 -3.936 1.00 0.00 H new ATOM 695 N VAL A 44 2.874 -4.190 -5.953 1.00 0.00 N ATOM 696 CA VAL A 44 2.530 -5.505 -6.471 1.00 0.00 C ATOM 697 C VAL A 44 3.806 -6.340 -6.461 1.00 0.00 C ATOM 698 O VAL A 44 4.653 -6.222 -7.350 1.00 0.00 O ATOM 699 CB VAL A 44 1.885 -5.417 -7.870 1.00 0.00 C ATOM 700 CG1 VAL A 44 1.403 -6.807 -8.304 1.00 0.00 C ATOM 701 CG2 VAL A 44 0.671 -4.475 -7.878 1.00 0.00 C ATOM 0 H VAL A 44 2.973 -3.476 -6.674 1.00 0.00 H new ATOM 0 HA VAL A 44 1.776 -5.981 -5.845 1.00 0.00 H new ATOM 0 HB VAL A 44 2.642 -5.031 -8.552 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.948 -6.742 -9.292 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.251 -7.491 -8.339 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.668 -7.177 -7.589 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.244 -4.440 -8.880 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.079 -4.842 -7.177 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.985 -3.474 -7.582 1.00 0.00 H new ATOM 711 N LYS A 45 3.966 -7.167 -5.433 1.00 0.00 N ATOM 712 CA LYS A 45 5.010 -8.178 -5.399 1.00 0.00 C ATOM 713 C LYS A 45 4.519 -9.337 -6.253 1.00 0.00 C ATOM 714 O LYS A 45 3.346 -9.698 -6.142 1.00 0.00 O ATOM 715 CB LYS A 45 5.286 -8.619 -3.954 1.00 0.00 C ATOM 716 CG LYS A 45 5.571 -7.398 -3.070 1.00 0.00 C ATOM 717 CD LYS A 45 6.029 -7.792 -1.666 1.00 0.00 C ATOM 718 CE LYS A 45 6.648 -6.590 -0.942 1.00 0.00 C ATOM 719 NZ LYS A 45 6.859 -6.865 0.500 1.00 0.00 N ATOM 0 H LYS A 45 3.375 -7.153 -4.602 1.00 0.00 H new ATOM 0 HA LYS A 45 5.952 -7.791 -5.788 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.428 -9.167 -3.564 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.137 -9.300 -3.931 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.338 -6.783 -3.541 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.672 -6.787 -2.998 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.182 -8.171 -1.094 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.758 -8.600 -1.729 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.601 -6.337 -1.407 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.997 -5.723 -1.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.231 -6.013 0.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.954 -7.132 0.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.540 -7.644 0.609 1.00 0.00 H new ATOM 733 N VAL A 46 5.384 -9.950 -7.057 1.00 0.00 N ATOM 734 CA VAL A 46 5.007 -11.083 -7.899 1.00 0.00 C ATOM 735 C VAL A 46 5.895 -12.282 -7.574 1.00 0.00 C ATOM 736 O VAL A 46 7.098 -12.113 -7.352 1.00 0.00 O ATOM 737 CB VAL A 46 5.002 -10.692 -9.394 1.00 0.00 C ATOM 738 CG1 VAL A 46 3.870 -9.699 -9.701 1.00 0.00 C ATOM 739 CG2 VAL A 46 6.322 -10.078 -9.888 1.00 0.00 C ATOM 0 H VAL A 46 6.363 -9.677 -7.143 1.00 0.00 H new ATOM 0 HA VAL A 46 3.982 -11.381 -7.680 1.00 0.00 H new ATOM 0 HB VAL A 46 4.853 -11.633 -9.924 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.890 -9.441 -10.760 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.910 -10.154 -9.456 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.006 -8.797 -9.105 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.235 -9.832 -10.946 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.537 -9.172 -9.321 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.132 -10.794 -9.747 1.00 0.00 H new ATOM 749 N TYR A 47 5.312 -13.487 -7.541 1.00 0.00 N ATOM 750 CA TYR A 47 6.025 -14.736 -7.271 1.00 0.00 C ATOM 751 C TYR A 47 5.365 -15.912 -8.005 1.00 0.00 C ATOM 752 O TYR A 47 4.303 -15.755 -8.605 1.00 0.00 O ATOM 753 CB TYR A 47 6.155 -14.977 -5.759 1.00 0.00 C ATOM 754 CG TYR A 47 4.956 -15.557 -5.032 1.00 0.00 C ATOM 755 CD1 TYR A 47 3.948 -14.706 -4.540 1.00 0.00 C ATOM 756 CD2 TYR A 47 4.897 -16.939 -4.767 1.00 0.00 C ATOM 757 CE1 TYR A 47 2.893 -15.231 -3.773 1.00 0.00 C ATOM 758 CE2 TYR A 47 3.841 -17.470 -4.009 1.00 0.00 C ATOM 759 CZ TYR A 47 2.837 -16.618 -3.501 1.00 0.00 C ATOM 760 OH TYR A 47 1.827 -17.147 -2.752 1.00 0.00 O ATOM 0 H TYR A 47 4.314 -13.621 -7.704 1.00 0.00 H new ATOM 0 HA TYR A 47 7.039 -14.652 -7.662 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.001 -15.645 -5.597 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.405 -14.026 -5.288 1.00 0.00 H new ATOM 0 HD1 TYR A 47 3.985 -13.648 -4.752 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.667 -17.593 -5.148 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.125 -14.575 -3.391 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.797 -18.531 -3.815 1.00 0.00 H new ATOM 0 HH TYR A 47 1.812 -18.120 -2.864 1.00 0.00 H new ATOM 770 N CYS A 48 6.013 -17.076 -8.002 1.00 0.00 N ATOM 771 CA CYS A 48 5.660 -18.284 -8.729 1.00 0.00 C ATOM 772 C CYS A 48 6.353 -19.449 -7.995 1.00 0.00 C ATOM 773 O CYS A 48 6.774 -19.302 -6.845 1.00 0.00 O ATOM 774 CB CYS A 48 6.125 -18.114 -10.191 1.00 0.00 C ATOM 775 SG CYS A 48 5.569 -19.415 -11.332 1.00 0.00 S ATOM 0 H CYS A 48 6.860 -17.204 -7.449 1.00 0.00 H new ATOM 0 HA CYS A 48 4.589 -18.484 -8.760 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.769 -17.152 -10.560 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.214 -18.078 -10.208 1.00 0.00 H new ATOM 0 HG CYS A 48 6.445 -19.564 -12.281 1.00 0.00 H new ATOM 781 N ASN A 49 6.504 -20.600 -8.653 1.00 0.00 N ATOM 782 CA ASN A 49 7.314 -21.719 -8.176 1.00 0.00 C ATOM 783 C ASN A 49 8.784 -21.289 -8.095 1.00 0.00 C ATOM 784 O ASN A 49 9.450 -21.533 -7.088 1.00 0.00 O ATOM 785 CB ASN A 49 7.136 -22.910 -9.138 1.00 0.00 C ATOM 786 CG ASN A 49 7.796 -24.194 -8.635 1.00 0.00 C ATOM 787 OD1 ASN A 49 8.996 -24.252 -8.388 1.00 0.00 O ATOM 788 ND2 ASN A 49 7.030 -25.262 -8.493 1.00 0.00 N ATOM 0 H ASN A 49 6.056 -20.783 -9.551 1.00 0.00 H new ATOM 0 HA ASN A 49 6.993 -22.022 -7.179 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.072 -23.091 -9.289 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.556 -22.650 -10.110 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.436 -26.142 -8.176 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.033 -25.206 -8.700 1.00 0.00 H new ATOM 795 N ALA A 50 9.261 -20.584 -9.129 1.00 0.00 N ATOM 796 CA ALA A 50 10.618 -20.069 -9.258 1.00 0.00 C ATOM 797 C ALA A 50 10.573 -18.720 -9.982 1.00 0.00 C ATOM 798 O ALA A 50 9.578 -18.393 -10.634 1.00 0.00 O ATOM 799 CB ALA A 50 11.473 -21.081 -10.034 1.00 0.00 C ATOM 0 H ALA A 50 8.679 -20.350 -9.933 1.00 0.00 H new ATOM 0 HA ALA A 50 11.064 -19.923 -8.274 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.489 -20.699 -10.133 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.492 -22.029 -9.496 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.045 -21.234 -11.025 1.00 0.00 H new ATOM 805 N GLY A 51 11.665 -17.958 -9.898 1.00 0.00 N ATOM 806 CA GLY A 51 11.733 -16.562 -10.323 1.00 0.00 C ATOM 807 C GLY A 51 11.498 -16.299 -11.813 1.00 0.00 C ATOM 808 O GLY A 51 11.291 -15.145 -12.185 1.00 0.00 O ATOM 0 H GLY A 51 12.548 -18.305 -9.523 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.997 -15.994 -9.754 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.714 -16.170 -10.056 1.00 0.00 H new ATOM 812 N ARG A 52 11.539 -17.315 -12.685 1.00 0.00 N ATOM 813 CA ARG A 52 11.397 -17.114 -14.132 1.00 0.00 C ATOM 814 C ARG A 52 10.082 -16.417 -14.494 1.00 0.00 C ATOM 815 O ARG A 52 10.096 -15.393 -15.180 1.00 0.00 O ATOM 816 CB ARG A 52 11.579 -18.434 -14.914 1.00 0.00 C ATOM 817 CG ARG A 52 10.848 -19.669 -14.343 1.00 0.00 C ATOM 818 CD ARG A 52 10.636 -20.768 -15.397 1.00 0.00 C ATOM 819 NE ARG A 52 9.638 -20.369 -16.410 1.00 0.00 N ATOM 820 CZ ARG A 52 8.305 -20.397 -16.264 1.00 0.00 C ATOM 821 NH1 ARG A 52 7.736 -20.925 -15.184 1.00 0.00 N ATOM 822 NH2 ARG A 52 7.517 -19.872 -17.193 1.00 0.00 N ATOM 0 H ARG A 52 11.670 -18.289 -12.411 1.00 0.00 H new ATOM 0 HA ARG A 52 12.201 -16.444 -14.436 1.00 0.00 H new ATOM 0 HB2 ARG A 52 11.238 -18.276 -15.937 1.00 0.00 H new ATOM 0 HB3 ARG A 52 12.644 -18.659 -14.964 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.423 -20.075 -13.511 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.881 -19.362 -13.943 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.584 -20.989 -15.888 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.310 -21.685 -14.906 1.00 0.00 H new ATOM 0 HE ARG A 52 9.997 -20.041 -17.307 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.316 -21.320 -14.444 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.720 -20.935 -15.096 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.924 -19.444 -18.024 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.504 -19.897 -17.076 1.00 0.00 H new ATOM 836 N GLN A 53 8.946 -16.948 -14.032 1.00 0.00 N ATOM 837 CA GLN A 53 7.637 -16.468 -14.469 1.00 0.00 C ATOM 838 C GLN A 53 7.331 -15.130 -13.805 1.00 0.00 C ATOM 839 O GLN A 53 6.795 -14.231 -14.449 1.00 0.00 O ATOM 840 CB GLN A 53 6.569 -17.520 -14.130 1.00 0.00 C ATOM 841 CG GLN A 53 5.293 -17.449 -14.981 1.00 0.00 C ATOM 842 CD GLN A 53 4.578 -18.802 -15.052 1.00 0.00 C ATOM 843 OE1 GLN A 53 5.104 -19.754 -15.627 1.00 0.00 O ATOM 844 NE2 GLN A 53 3.388 -18.941 -14.492 1.00 0.00 N ATOM 0 H GLN A 53 8.909 -17.710 -13.355 1.00 0.00 H new ATOM 0 HA GLN A 53 7.637 -16.315 -15.548 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.008 -18.511 -14.243 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.294 -17.411 -13.081 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.618 -16.703 -14.562 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.546 -17.119 -15.988 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.953 -18.151 -14.016 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.905 -19.838 -14.536 1.00 0.00 H new ATOM 853 N SER A 54 7.703 -14.968 -12.533 1.00 0.00 N ATOM 854 CA SER A 54 7.502 -13.721 -11.818 1.00 0.00 C ATOM 855 C SER A 54 8.427 -12.627 -12.359 1.00 0.00 C ATOM 856 O SER A 54 8.071 -11.453 -12.309 1.00 0.00 O ATOM 857 CB SER A 54 7.702 -13.981 -10.324 1.00 0.00 C ATOM 858 OG SER A 54 8.972 -14.556 -10.091 1.00 0.00 O ATOM 0 H SER A 54 8.149 -15.698 -11.978 1.00 0.00 H new ATOM 0 HA SER A 54 6.487 -13.355 -11.970 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.611 -13.047 -9.770 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.921 -14.647 -9.956 1.00 0.00 H new ATOM 0 HG SER A 54 9.040 -14.830 -9.153 1.00 0.00 H new ATOM 864 N GLY A 55 9.609 -12.973 -12.876 1.00 0.00 N ATOM 865 CA GLY A 55 10.522 -12.018 -13.491 1.00 0.00 C ATOM 866 C GLY A 55 9.906 -11.474 -14.773 1.00 0.00 C ATOM 867 O GLY A 55 9.843 -10.258 -14.965 1.00 0.00 O ATOM 0 H GLY A 55 9.958 -13.932 -12.877 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.729 -11.201 -12.800 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.475 -12.500 -13.710 1.00 0.00 H new ATOM 871 N GLN A 56 9.361 -12.366 -15.608 1.00 0.00 N ATOM 872 CA GLN A 56 8.617 -11.963 -16.792 1.00 0.00 C ATOM 873 C GLN A 56 7.398 -11.122 -16.392 1.00 0.00 C ATOM 874 O GLN A 56 7.115 -10.118 -17.049 1.00 0.00 O ATOM 875 CB GLN A 56 8.234 -13.210 -17.611 1.00 0.00 C ATOM 876 CG GLN A 56 7.574 -12.909 -18.964 1.00 0.00 C ATOM 877 CD GLN A 56 8.409 -12.004 -19.875 1.00 0.00 C ATOM 878 OE1 GLN A 56 9.174 -12.474 -20.713 1.00 0.00 O ATOM 879 NE2 GLN A 56 8.286 -10.692 -19.734 1.00 0.00 N ATOM 0 H GLN A 56 9.426 -13.376 -15.479 1.00 0.00 H new ATOM 0 HA GLN A 56 9.240 -11.333 -17.427 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.131 -13.805 -17.784 1.00 0.00 H new ATOM 0 HB3 GLN A 56 7.555 -13.823 -17.019 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.382 -13.849 -19.480 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.607 -12.438 -18.788 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.648 -10.312 -19.035 1.00 0.00 H new ATOM 0 HE22 GLN A 56 8.829 -10.062 -20.324 1.00 0.00 H new ATOM 888 N ALA A 57 6.705 -11.490 -15.308 1.00 0.00 N ATOM 889 CA ALA A 57 5.573 -10.732 -14.794 1.00 0.00 C ATOM 890 C ALA A 57 5.987 -9.335 -14.335 1.00 0.00 C ATOM 891 O ALA A 57 5.256 -8.384 -14.603 1.00 0.00 O ATOM 892 CB ALA A 57 4.898 -11.483 -13.645 1.00 0.00 C ATOM 0 H ALA A 57 6.920 -12.326 -14.765 1.00 0.00 H new ATOM 0 HA ALA A 57 4.862 -10.618 -15.612 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.055 -10.900 -13.275 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.542 -12.450 -14.001 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.615 -11.635 -12.839 1.00 0.00 H new ATOM 898 N LYS A 58 7.144 -9.181 -13.673 1.00 0.00 N ATOM 899 CA LYS A 58 7.580 -7.870 -13.199 1.00 0.00 C ATOM 900 C LYS A 58 7.705 -6.916 -14.385 1.00 0.00 C ATOM 901 O LYS A 58 7.252 -5.773 -14.311 1.00 0.00 O ATOM 902 CB LYS A 58 8.873 -7.929 -12.361 1.00 0.00 C ATOM 903 CG LYS A 58 9.356 -6.500 -12.021 1.00 0.00 C ATOM 904 CD LYS A 58 10.266 -6.425 -10.787 1.00 0.00 C ATOM 905 CE LYS A 58 10.741 -4.992 -10.488 1.00 0.00 C ATOM 906 NZ LYS A 58 11.667 -4.451 -11.518 1.00 0.00 N ATOM 0 H LYS A 58 7.786 -9.944 -13.458 1.00 0.00 H new ATOM 0 HA LYS A 58 6.820 -7.490 -12.517 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.694 -8.488 -11.443 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.648 -8.461 -12.912 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.891 -6.095 -12.880 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.487 -5.863 -11.858 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.731 -6.814 -9.921 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.134 -7.067 -10.940 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.873 -4.338 -10.411 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.239 -4.977 -9.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.949 -3.484 -11.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.512 -5.054 -11.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.188 -4.435 -12.441 1.00 0.00 H new ATOM 920 N GLU A 59 8.302 -7.382 -15.481 1.00 0.00 N ATOM 921 CA GLU A 59 8.547 -6.598 -16.663 1.00 0.00 C ATOM 922 C GLU A 59 7.202 -6.259 -17.312 1.00 0.00 C ATOM 923 O GLU A 59 6.936 -5.098 -17.613 1.00 0.00 O ATOM 924 CB GLU A 59 9.456 -7.479 -17.529 1.00 0.00 C ATOM 925 CG GLU A 59 9.772 -6.907 -18.899 1.00 0.00 C ATOM 926 CD GLU A 59 10.792 -5.754 -18.852 1.00 0.00 C ATOM 927 OE1 GLU A 59 10.424 -4.613 -18.497 1.00 0.00 O ATOM 928 OE2 GLU A 59 11.979 -5.979 -19.183 1.00 0.00 O ATOM 0 H GLU A 59 8.633 -8.344 -15.561 1.00 0.00 H new ATOM 0 HA GLU A 59 9.034 -5.639 -16.484 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.392 -7.648 -16.996 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.982 -8.452 -17.657 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.160 -7.701 -19.537 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.850 -6.550 -19.359 1.00 0.00 H new ATOM 935 N ILE A 60 6.321 -7.255 -17.451 1.00 0.00 N ATOM 936 CA ILE A 60 4.987 -7.095 -18.019 1.00 0.00 C ATOM 937 C ILE A 60 4.208 -6.013 -17.261 1.00 0.00 C ATOM 938 O ILE A 60 3.658 -5.105 -17.884 1.00 0.00 O ATOM 939 CB ILE A 60 4.295 -8.482 -18.036 1.00 0.00 C ATOM 940 CG1 ILE A 60 4.811 -9.296 -19.243 1.00 0.00 C ATOM 941 CG2 ILE A 60 2.764 -8.388 -18.065 1.00 0.00 C ATOM 942 CD1 ILE A 60 4.451 -10.787 -19.188 1.00 0.00 C ATOM 0 H ILE A 60 6.524 -8.213 -17.165 1.00 0.00 H new ATOM 0 HA ILE A 60 5.034 -6.742 -19.049 1.00 0.00 H new ATOM 0 HB ILE A 60 4.551 -8.988 -17.105 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.403 -8.868 -20.159 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.895 -9.196 -19.299 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.338 -9.391 -18.076 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.415 -7.855 -17.180 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.449 -7.851 -18.960 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.848 -11.290 -20.070 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.882 -11.232 -18.291 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.367 -10.899 -19.164 1.00 0.00 H new ATOM 954 N LEU A 61 4.166 -6.075 -15.928 1.00 0.00 N ATOM 955 CA LEU A 61 3.385 -5.122 -15.148 1.00 0.00 C ATOM 956 C LEU A 61 4.027 -3.734 -15.176 1.00 0.00 C ATOM 957 O LEU A 61 3.311 -2.731 -15.163 1.00 0.00 O ATOM 958 CB LEU A 61 3.194 -5.619 -13.710 1.00 0.00 C ATOM 959 CG LEU A 61 2.323 -6.887 -13.578 1.00 0.00 C ATOM 960 CD1 LEU A 61 2.060 -7.162 -12.093 1.00 0.00 C ATOM 961 CD2 LEU A 61 0.988 -6.784 -14.325 1.00 0.00 C ATOM 0 H LEU A 61 4.662 -6.772 -15.372 1.00 0.00 H new ATOM 0 HA LEU A 61 2.399 -5.039 -15.605 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.173 -5.820 -13.276 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.742 -4.821 -13.121 1.00 0.00 H new ATOM 0 HG LEU A 61 2.876 -7.707 -14.036 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.445 -8.056 -11.992 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.008 -7.313 -11.577 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.539 -6.312 -11.652 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.424 -7.707 -14.192 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.413 -5.947 -13.928 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.176 -6.624 -15.387 1.00 0.00 H new ATOM 973 N SER A 62 5.357 -3.658 -15.268 1.00 0.00 N ATOM 974 CA SER A 62 6.048 -2.389 -15.451 1.00 0.00 C ATOM 975 C SER A 62 5.656 -1.761 -16.798 1.00 0.00 C ATOM 976 O SER A 62 5.388 -0.561 -16.850 1.00 0.00 O ATOM 977 CB SER A 62 7.564 -2.589 -15.332 1.00 0.00 C ATOM 978 OG SER A 62 7.902 -3.185 -14.089 1.00 0.00 O ATOM 0 H SER A 62 5.975 -4.468 -15.218 1.00 0.00 H new ATOM 0 HA SER A 62 5.746 -1.697 -14.665 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.917 -3.218 -16.149 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.070 -1.628 -15.428 1.00 0.00 H new ATOM 0 HG SER A 62 7.682 -4.140 -14.113 1.00 0.00 H new ATOM 984 N GLU A 63 5.539 -2.551 -17.874 1.00 0.00 N ATOM 985 CA GLU A 63 5.071 -2.067 -19.172 1.00 0.00 C ATOM 986 C GLU A 63 3.597 -1.637 -19.112 1.00 0.00 C ATOM 987 O GLU A 63 3.217 -0.675 -19.781 1.00 0.00 O ATOM 988 CB GLU A 63 5.283 -3.122 -20.271 1.00 0.00 C ATOM 989 CG GLU A 63 6.761 -3.291 -20.648 1.00 0.00 C ATOM 990 CD GLU A 63 6.930 -4.230 -21.856 1.00 0.00 C ATOM 991 OE1 GLU A 63 6.841 -5.468 -21.700 1.00 0.00 O ATOM 992 OE2 GLU A 63 7.167 -3.734 -22.982 1.00 0.00 O ATOM 0 H GLU A 63 5.768 -3.545 -17.865 1.00 0.00 H new ATOM 0 HA GLU A 63 5.667 -1.190 -19.424 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.886 -4.079 -19.932 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.716 -2.837 -21.157 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.192 -2.317 -20.879 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.312 -3.689 -19.796 1.00 0.00 H new ATOM 999 N MET A 64 2.774 -2.289 -18.279 1.00 0.00 N ATOM 1000 CA MET A 64 1.399 -1.862 -17.993 1.00 0.00 C ATOM 1001 C MET A 64 1.345 -0.574 -17.154 1.00 0.00 C ATOM 1002 O MET A 64 0.253 -0.059 -16.897 1.00 0.00 O ATOM 1003 CB MET A 64 0.612 -2.984 -17.297 1.00 0.00 C ATOM 1004 CG MET A 64 0.349 -4.176 -18.221 1.00 0.00 C ATOM 1005 SD MET A 64 -0.503 -5.562 -17.421 1.00 0.00 S ATOM 1006 CE MET A 64 -2.129 -4.828 -17.091 1.00 0.00 C ATOM 0 H MET A 64 3.048 -3.136 -17.780 1.00 0.00 H new ATOM 0 HA MET A 64 0.933 -1.643 -18.954 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.166 -3.323 -16.421 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.339 -2.589 -16.940 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.246 -3.839 -19.070 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.300 -4.530 -18.619 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.820 -5.606 -16.765 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.036 -4.074 -16.309 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.509 -4.363 -18.000 1.00 0.00 H new ATOM 1016 N GLY A 65 2.486 -0.033 -16.723 1.00 0.00 N ATOM 1017 CA GLY A 65 2.564 1.261 -16.065 1.00 0.00 C ATOM 1018 C GLY A 65 2.385 1.173 -14.552 1.00 0.00 C ATOM 1019 O GLY A 65 2.143 2.203 -13.924 1.00 0.00 O ATOM 0 H GLY A 65 3.391 -0.492 -16.825 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.529 1.717 -16.285 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.799 1.919 -16.478 1.00 0.00 H new ATOM 1023 N TYR A 66 2.470 -0.020 -13.951 1.00 0.00 N ATOM 1024 CA TYR A 66 2.548 -0.135 -12.499 1.00 0.00 C ATOM 1025 C TYR A 66 3.910 0.425 -12.086 1.00 0.00 C ATOM 1026 O TYR A 66 4.933 0.067 -12.676 1.00 0.00 O ATOM 1027 CB TYR A 66 2.349 -1.589 -12.048 1.00 0.00 C ATOM 1028 CG TYR A 66 0.904 -2.051 -12.095 1.00 0.00 C ATOM 1029 CD1 TYR A 66 0.263 -2.274 -13.330 1.00 0.00 C ATOM 1030 CD2 TYR A 66 0.180 -2.198 -10.896 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -1.113 -2.556 -13.372 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -1.196 -2.480 -10.930 1.00 0.00 C ATOM 1033 CZ TYR A 66 -1.857 -2.617 -12.172 1.00 0.00 C ATOM 1034 OH TYR A 66 -3.209 -2.744 -12.223 1.00 0.00 O ATOM 0 H TYR A 66 2.486 -0.911 -14.448 1.00 0.00 H new ATOM 0 HA TYR A 66 1.752 0.430 -12.013 1.00 0.00 H new ATOM 0 HB2 TYR A 66 2.950 -2.242 -12.681 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.723 -1.699 -11.030 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.831 -2.228 -14.247 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.684 -2.094 -9.947 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.601 -2.726 -14.320 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.748 -2.592 -10.008 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.596 -2.465 -11.367 1.00 0.00 H new ATOM 1044 N THR A 67 3.934 1.306 -11.088 1.00 0.00 N ATOM 1045 CA THR A 67 5.111 2.104 -10.749 1.00 0.00 C ATOM 1046 C THR A 67 5.884 1.541 -9.551 1.00 0.00 C ATOM 1047 O THR A 67 6.929 2.088 -9.189 1.00 0.00 O ATOM 1048 CB THR A 67 4.663 3.562 -10.522 1.00 0.00 C ATOM 1049 OG1 THR A 67 3.537 3.609 -9.663 1.00 0.00 O ATOM 1050 CG2 THR A 67 4.264 4.232 -11.841 1.00 0.00 C ATOM 0 H THR A 67 3.130 1.488 -10.487 1.00 0.00 H new ATOM 0 HA THR A 67 5.816 2.065 -11.580 1.00 0.00 H new ATOM 0 HB THR A 67 5.508 4.087 -10.078 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.267 4.541 -9.528 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.953 5.259 -11.648 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.116 4.233 -12.521 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.439 3.682 -12.293 1.00 0.00 H new ATOM 1058 N HIS A 68 5.400 0.453 -8.939 1.00 0.00 N ATOM 1059 CA HIS A 68 5.927 -0.054 -7.674 1.00 0.00 C ATOM 1060 C HIS A 68 5.976 -1.587 -7.649 1.00 0.00 C ATOM 1061 O HIS A 68 5.914 -2.213 -6.592 1.00 0.00 O ATOM 1062 CB HIS A 68 5.105 0.563 -6.524 1.00 0.00 C ATOM 1063 CG HIS A 68 5.932 1.204 -5.443 1.00 0.00 C ATOM 1064 ND1 HIS A 68 6.103 0.753 -4.153 1.00 0.00 N ATOM 1065 CD2 HIS A 68 6.559 2.416 -5.535 1.00 0.00 C ATOM 1066 CE1 HIS A 68 6.830 1.665 -3.489 1.00 0.00 C ATOM 1067 NE2 HIS A 68 7.143 2.702 -4.292 1.00 0.00 N ATOM 0 H HIS A 68 4.628 -0.100 -9.312 1.00 0.00 H new ATOM 0 HA HIS A 68 6.966 0.250 -7.549 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.428 1.310 -6.938 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.486 -0.215 -6.078 1.00 0.00 H new ATOM 0 HD2 HIS A 68 6.598 3.044 -6.413 1.00 0.00 H new ATOM 0 HE1 HIS A 68 7.124 1.580 -2.453 1.00 0.00 H new ATOM 0 HE2 HIS A 68 7.692 3.526 -4.046 1.00 0.00 H new ATOM 1075 N VAL A 69 6.071 -2.202 -8.827 1.00 0.00 N ATOM 1076 CA VAL A 69 6.180 -3.653 -8.955 1.00 0.00 C ATOM 1077 C VAL A 69 7.479 -4.099 -8.274 1.00 0.00 C ATOM 1078 O VAL A 69 8.496 -3.404 -8.362 1.00 0.00 O ATOM 1079 CB VAL A 69 6.147 -4.087 -10.437 1.00 0.00 C ATOM 1080 CG1 VAL A 69 5.951 -5.605 -10.566 1.00 0.00 C ATOM 1081 CG2 VAL A 69 5.014 -3.415 -11.223 1.00 0.00 C ATOM 0 H VAL A 69 6.074 -1.708 -9.719 1.00 0.00 H new ATOM 0 HA VAL A 69 5.328 -4.131 -8.470 1.00 0.00 H new ATOM 0 HB VAL A 69 7.108 -3.781 -10.850 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.932 -5.881 -11.620 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.773 -6.121 -10.071 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.009 -5.891 -10.099 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.037 -3.756 -12.258 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.055 -3.678 -10.776 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.143 -2.333 -11.194 1.00 0.00 H new ATOM 1091 N GLU A 70 7.476 -5.276 -7.651 1.00 0.00 N ATOM 1092 CA GLU A 70 8.675 -5.892 -7.106 1.00 0.00 C ATOM 1093 C GLU A 70 8.635 -7.383 -7.418 1.00 0.00 C ATOM 1094 O GLU A 70 7.564 -7.987 -7.469 1.00 0.00 O ATOM 1095 CB GLU A 70 8.765 -5.624 -5.595 1.00 0.00 C ATOM 1096 CG GLU A 70 10.054 -6.160 -4.960 1.00 0.00 C ATOM 1097 CD GLU A 70 11.329 -5.571 -5.591 1.00 0.00 C ATOM 1098 OE1 GLU A 70 11.754 -6.074 -6.656 1.00 0.00 O ATOM 1099 OE2 GLU A 70 11.912 -4.619 -5.025 1.00 0.00 O ATOM 0 H GLU A 70 6.631 -5.831 -7.511 1.00 0.00 H new ATOM 0 HA GLU A 70 9.568 -5.463 -7.561 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.701 -4.550 -5.419 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.907 -6.080 -5.100 1.00 0.00 H new ATOM 0 HG2 GLU A 70 10.047 -5.936 -3.893 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.076 -7.245 -5.057 1.00 0.00 H new ATOM 1106 N ASN A 71 9.803 -7.982 -7.633 1.00 0.00 N ATOM 1107 CA ASN A 71 9.911 -9.407 -7.882 1.00 0.00 C ATOM 1108 C ASN A 71 10.313 -10.080 -6.577 1.00 0.00 C ATOM 1109 O ASN A 71 11.322 -9.703 -5.978 1.00 0.00 O ATOM 1110 CB ASN A 71 10.946 -9.692 -8.973 1.00 0.00 C ATOM 1111 CG ASN A 71 10.948 -11.184 -9.238 1.00 0.00 C ATOM 1112 OD1 ASN A 71 11.732 -11.933 -8.671 1.00 0.00 O ATOM 1113 ND2 ASN A 71 10.002 -11.652 -10.028 1.00 0.00 N ATOM 0 H ASN A 71 10.697 -7.490 -7.639 1.00 0.00 H new ATOM 0 HA ASN A 71 8.955 -9.798 -8.231 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.702 -9.144 -9.883 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.935 -9.360 -8.657 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.913 -12.657 -10.177 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.359 -11.009 -10.490 1.00 0.00 H new ATOM 1120 N ALA A 72 9.537 -11.076 -6.148 1.00 0.00 N ATOM 1121 CA ALA A 72 9.766 -11.792 -4.900 1.00 0.00 C ATOM 1122 C ALA A 72 10.323 -13.203 -5.157 1.00 0.00 C ATOM 1123 O ALA A 72 10.353 -14.026 -4.243 1.00 0.00 O ATOM 1124 CB ALA A 72 8.469 -11.803 -4.084 1.00 0.00 C ATOM 0 H ALA A 72 8.724 -11.409 -6.666 1.00 0.00 H new ATOM 0 HA ALA A 72 10.529 -11.277 -4.316 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.632 -12.337 -3.148 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.166 -10.778 -3.869 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.685 -12.301 -4.654 1.00 0.00 H new ATOM 1130 N GLY A 73 10.769 -13.502 -6.382 1.00 0.00 N ATOM 1131 CA GLY A 73 11.334 -14.792 -6.741 1.00 0.00 C ATOM 1132 C GLY A 73 10.232 -15.840 -6.804 1.00 0.00 C ATOM 1133 O GLY A 73 9.322 -15.730 -7.632 1.00 0.00 O ATOM 0 H GLY A 73 10.744 -12.840 -7.158 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.838 -14.723 -7.705 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.086 -15.086 -6.009 1.00 0.00 H new ATOM 1137 N GLY A 74 10.304 -16.849 -5.938 1.00 0.00 N ATOM 1138 CA GLY A 74 9.342 -17.933 -5.885 1.00 0.00 C ATOM 1139 C GLY A 74 9.148 -18.415 -4.457 1.00 0.00 C ATOM 1140 O GLY A 74 9.943 -18.096 -3.571 1.00 0.00 O ATOM 0 H GLY A 74 11.047 -16.932 -5.244 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.388 -17.599 -6.293 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.684 -18.759 -6.509 1.00 0.00 H new ATOM 1144 N LEU A 75 8.083 -19.186 -4.234 1.00 0.00 N ATOM 1145 CA LEU A 75 7.594 -19.568 -2.908 1.00 0.00 C ATOM 1146 C LEU A 75 8.685 -20.181 -2.024 1.00 0.00 C ATOM 1147 O LEU A 75 8.759 -19.877 -0.831 1.00 0.00 O ATOM 1148 CB LEU A 75 6.415 -20.541 -3.097 1.00 0.00 C ATOM 1149 CG LEU A 75 5.715 -20.966 -1.794 1.00 0.00 C ATOM 1150 CD1 LEU A 75 5.102 -19.773 -1.052 1.00 0.00 C ATOM 1151 CD2 LEU A 75 4.602 -21.958 -2.135 1.00 0.00 C ATOM 0 H LEU A 75 7.521 -19.573 -4.992 1.00 0.00 H new ATOM 0 HA LEU A 75 7.267 -18.671 -2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.679 -20.076 -3.753 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.777 -21.434 -3.607 1.00 0.00 H new ATOM 0 HG LEU A 75 6.463 -21.417 -1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.619 -20.121 -0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.887 -19.060 -0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.364 -19.288 -1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.097 -22.267 -1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.883 -21.483 -2.803 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.031 -22.832 -2.626 1.00 0.00 H new ATOM 1163 N LYS A 76 9.548 -21.015 -2.614 1.00 0.00 N ATOM 1164 CA LYS A 76 10.644 -21.676 -1.913 1.00 0.00 C ATOM 1165 C LYS A 76 11.636 -20.661 -1.342 1.00 0.00 C ATOM 1166 O LYS A 76 12.135 -20.859 -0.235 1.00 0.00 O ATOM 1167 CB LYS A 76 11.319 -22.659 -2.888 1.00 0.00 C ATOM 1168 CG LYS A 76 12.419 -23.495 -2.216 1.00 0.00 C ATOM 1169 CD LYS A 76 12.950 -24.623 -3.117 1.00 0.00 C ATOM 1170 CE LYS A 76 13.617 -24.148 -4.420 1.00 0.00 C ATOM 1171 NZ LYS A 76 14.896 -23.427 -4.192 1.00 0.00 N ATOM 0 H LYS A 76 9.501 -21.250 -3.605 1.00 0.00 H new ATOM 0 HA LYS A 76 10.256 -22.229 -1.057 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.565 -23.326 -3.306 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.749 -22.102 -3.721 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.245 -22.841 -1.936 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.028 -23.927 -1.295 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.671 -25.213 -2.550 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.123 -25.287 -3.370 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.802 -25.010 -5.061 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.929 -23.494 -4.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 15.296 -23.133 -5.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.721 -22.587 -3.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.567 -24.056 -3.706 1.00 0.00 H new ATOM 1185 N ASP A 77 11.926 -19.586 -2.077 1.00 0.00 N ATOM 1186 CA ASP A 77 12.852 -18.546 -1.629 1.00 0.00 C ATOM 1187 C ASP A 77 12.189 -17.630 -0.598 1.00 0.00 C ATOM 1188 O ASP A 77 12.852 -17.184 0.339 1.00 0.00 O ATOM 1189 CB ASP A 77 13.336 -17.711 -2.820 1.00 0.00 C ATOM 1190 CG ASP A 77 14.319 -16.621 -2.359 1.00 0.00 C ATOM 1191 OD1 ASP A 77 15.477 -16.954 -2.019 1.00 0.00 O ATOM 1192 OD2 ASP A 77 13.955 -15.425 -2.367 1.00 0.00 O ATOM 0 H ASP A 77 11.526 -19.412 -2.999 1.00 0.00 H new ATOM 0 HA ASP A 77 13.706 -19.038 -1.163 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.820 -18.358 -3.551 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.483 -17.251 -3.318 1.00 0.00 H new ATOM 1197 N ILE A 78 10.885 -17.368 -0.751 1.00 0.00 N ATOM 1198 CA ILE A 78 10.128 -16.481 0.132 1.00 0.00 C ATOM 1199 C ILE A 78 10.117 -17.054 1.555 1.00 0.00 C ATOM 1200 O ILE A 78 10.424 -16.336 2.508 1.00 0.00 O ATOM 1201 CB ILE A 78 8.711 -16.235 -0.446 1.00 0.00 C ATOM 1202 CG1 ILE A 78 8.809 -15.449 -1.770 1.00 0.00 C ATOM 1203 CG2 ILE A 78 7.827 -15.449 0.539 1.00 0.00 C ATOM 1204 CD1 ILE A 78 7.522 -15.444 -2.600 1.00 0.00 C ATOM 0 H ILE A 78 10.323 -17.772 -1.500 1.00 0.00 H new ATOM 0 HA ILE A 78 10.608 -15.504 0.190 1.00 0.00 H new ATOM 0 HB ILE A 78 8.255 -17.209 -0.621 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.087 -14.419 -1.547 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.613 -15.873 -2.371 1.00 0.00 H new ATOM 0 HG21 ILE A 78 6.841 -15.295 0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.727 -16.012 1.467 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.286 -14.483 0.748 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.680 -14.869 -3.513 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.251 -16.468 -2.858 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.717 -14.991 -2.021 1.00 0.00 H new ATOM 1216 N ALA A 79 9.803 -18.350 1.679 1.00 0.00 N ATOM 1217 CA ALA A 79 9.751 -19.112 2.931 1.00 0.00 C ATOM 1218 C ALA A 79 9.021 -18.398 4.091 1.00 0.00 C ATOM 1219 O ALA A 79 9.371 -18.571 5.262 1.00 0.00 O ATOM 1220 CB ALA A 79 11.166 -19.587 3.297 1.00 0.00 C ATOM 0 H ALA A 79 9.567 -18.923 0.869 1.00 0.00 H new ATOM 0 HA ALA A 79 9.123 -19.985 2.756 1.00 0.00 H new ATOM 0 HB1 ALA A 79 11.130 -20.154 4.227 1.00 0.00 H new ATOM 0 HB2 ALA A 79 11.554 -20.222 2.500 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.819 -18.723 3.423 1.00 0.00 H new ATOM 1226 N MET A 80 8.005 -17.593 3.768 1.00 0.00 N ATOM 1227 CA MET A 80 7.072 -17.013 4.739 1.00 0.00 C ATOM 1228 C MET A 80 6.099 -18.101 5.224 1.00 0.00 C ATOM 1229 O MET A 80 6.059 -19.177 4.618 1.00 0.00 O ATOM 1230 CB MET A 80 6.310 -15.851 4.072 1.00 0.00 C ATOM 1231 CG MET A 80 7.168 -14.583 4.012 1.00 0.00 C ATOM 1232 SD MET A 80 6.407 -13.189 3.135 1.00 0.00 S ATOM 1233 CE MET A 80 4.991 -12.813 4.206 1.00 0.00 C ATOM 0 H MET A 80 7.804 -17.321 2.806 1.00 0.00 H new ATOM 0 HA MET A 80 7.615 -16.627 5.602 1.00 0.00 H new ATOM 0 HB2 MET A 80 6.013 -16.140 3.064 1.00 0.00 H new ATOM 0 HB3 MET A 80 5.395 -15.647 4.628 1.00 0.00 H new ATOM 0 HG2 MET A 80 7.400 -14.270 5.030 1.00 0.00 H new ATOM 0 HG3 MET A 80 8.115 -14.825 3.529 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.505 -11.901 3.859 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.280 -13.639 4.173 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.337 -12.673 5.230 1.00 0.00 H new ATOM 1243 N PRO A 81 5.300 -17.855 6.283 1.00 0.00 N ATOM 1244 CA PRO A 81 4.191 -18.726 6.662 1.00 0.00 C ATOM 1245 C PRO A 81 3.319 -19.088 5.455 1.00 0.00 C ATOM 1246 O PRO A 81 3.139 -18.280 4.535 1.00 0.00 O ATOM 1247 CB PRO A 81 3.413 -17.963 7.737 1.00 0.00 C ATOM 1248 CG PRO A 81 4.494 -17.106 8.393 1.00 0.00 C ATOM 1249 CD PRO A 81 5.395 -16.737 7.215 1.00 0.00 C ATOM 0 HA PRO A 81 4.545 -19.683 7.046 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.620 -17.353 7.306 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.943 -18.638 8.452 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.074 -16.222 8.873 1.00 0.00 H new ATOM 0 HG3 PRO A 81 5.037 -17.658 9.160 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.068 -15.808 6.748 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.424 -16.585 7.541 1.00 0.00 H new ATOM 1257 N LYS A 82 2.749 -20.295 5.468 1.00 0.00 N ATOM 1258 CA LYS A 82 2.101 -20.890 4.302 1.00 0.00 C ATOM 1259 C LYS A 82 0.634 -21.201 4.577 1.00 0.00 C ATOM 1260 O LYS A 82 0.161 -21.129 5.713 1.00 0.00 O ATOM 1261 CB LYS A 82 2.823 -22.203 3.914 1.00 0.00 C ATOM 1262 CG LYS A 82 4.340 -22.123 3.684 1.00 0.00 C ATOM 1263 CD LYS A 82 4.719 -21.261 2.469 1.00 0.00 C ATOM 1264 CE LYS A 82 6.237 -21.210 2.215 1.00 0.00 C ATOM 1265 NZ LYS A 82 6.839 -22.547 1.975 1.00 0.00 N ATOM 0 H LYS A 82 2.725 -20.890 6.296 1.00 0.00 H new ATOM 0 HA LYS A 82 2.159 -20.168 3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.638 -22.936 4.699 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.362 -22.587 3.004 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.816 -21.714 4.575 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.734 -23.130 3.546 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.221 -21.654 1.583 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.348 -20.247 2.620 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.433 -20.571 1.354 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.726 -20.748 3.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.718 -22.439 1.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.051 -23.001 2.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.170 -23.138 1.441 1.00 0.00 H new ATOM 1279 N VAL A 83 -0.052 -21.602 3.518 1.00 0.00 N ATOM 1280 CA VAL A 83 -1.359 -22.234 3.495 1.00 0.00 C ATOM 1281 C VAL A 83 -1.139 -23.401 2.532 1.00 0.00 C ATOM 1282 O VAL A 83 -0.414 -23.250 1.543 1.00 0.00 O ATOM 1283 CB VAL A 83 -2.439 -21.245 3.010 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -3.819 -21.908 2.883 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -2.570 -20.056 3.969 1.00 0.00 C ATOM 0 H VAL A 83 0.323 -21.483 2.577 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.720 -22.563 4.470 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.114 -20.904 2.027 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.546 -21.172 2.539 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.764 -22.727 2.166 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.127 -22.296 3.854 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.338 -19.375 3.602 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.848 -20.416 4.960 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.617 -19.530 4.028 1.00 0.00 H new ATOM 1295 N LYS A 84 -1.711 -24.568 2.829 1.00 0.00 N ATOM 1296 CA LYS A 84 -1.423 -25.821 2.134 1.00 0.00 C ATOM 1297 C LYS A 84 -2.735 -26.468 1.699 1.00 0.00 C ATOM 1298 O LYS A 84 -3.775 -26.244 2.328 1.00 0.00 O ATOM 1299 CB LYS A 84 -0.657 -26.773 3.072 1.00 0.00 C ATOM 1300 CG LYS A 84 0.767 -26.317 3.442 1.00 0.00 C ATOM 1301 CD LYS A 84 1.331 -27.236 4.539 1.00 0.00 C ATOM 1302 CE LYS A 84 2.750 -26.861 4.993 1.00 0.00 C ATOM 1303 NZ LYS A 84 3.800 -27.261 4.025 1.00 0.00 N ATOM 0 H LYS A 84 -2.401 -24.670 3.574 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.809 -25.618 1.257 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.233 -26.896 3.989 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.597 -27.754 2.600 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.410 -26.346 2.562 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.751 -25.284 3.791 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.665 -27.208 5.401 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.336 -28.263 4.173 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.801 -25.784 5.149 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.953 -27.333 5.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.738 -27.105 4.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.690 -28.268 3.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.710 -26.691 3.160 1.00 0.00 H new ATOM 1317 N GLY A 85 -2.676 -27.277 0.641 1.00 0.00 N ATOM 1318 CA GLY A 85 -3.782 -28.112 0.194 1.00 0.00 C ATOM 1319 C GLY A 85 -4.254 -29.013 1.330 1.00 0.00 C ATOM 1320 O GLY A 85 -5.477 -29.084 1.566 1.00 0.00 O ATOM 1321 OXT GLY A 85 -3.402 -29.657 1.976 1.00 0.00 O ATOM 0 H GLY A 85 -1.841 -27.369 0.063 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.605 -27.485 -0.149 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.469 -28.719 -0.655 1.00 0.00 H new