USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 763 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 18 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0246) USER MOD Set 1.2: A 19 ASN : amide:sc= 1.04 K(o=1,f=-1) USER MOD Single : A 1 SER N :NH3+ -124:sc= 0.155 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= -0.0162 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.036 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 70:sc= -2.31! USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 33:sc= -0.0223 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 158:sc= -0.124 (180deg=-0.661) USER MOD Single : A 28 THR OG1 : rot -150:sc= 0.717 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.32) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0145 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot 50:sc= 1.3 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -90:sc= 1.19 USER MOD Single : A 63 HIS : no HE2:sc= -1.18! C(o=-1.2!,f=-3.6!) USER MOD Single : A 65 TYR OH : rot 61:sc= 2.32 USER MOD Single : A 68 LYS NZ :NH3+ -170:sc=-0.00746 (180deg=-0.0937) USER MOD Single : A 74 ASN : amide:sc= -0.054 K(o=-0.054,f=-2!) USER MOD Single : A 76 LYS NZ :NH3+ 148:sc= 1.2 (180deg=0.387) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -30:sc= 1.32 USER MOD Single : A 88 GLN : amide:sc= 0.0329 K(o=0.033,f=-0.83) USER MOD Single : A 91 HIS :FLIP no HE2:sc= 0.159 F(o=-0.88,f=0.16) USER MOD Single : A 92 HIS : no HD1:sc= -0.354 X(o=-0.35,f=-0.051) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 95 HIS : no HD1:sc= -0.233 X(o=-0.23,f=-0.23) USER MOD Single : A 96 HIS : no HD1:sc= -0.149 X(o=-0.15,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -17.432 6.331 -26.504 1.00 0.00 N ATOM 2 CA SER A 1 -16.458 6.618 -27.579 1.00 0.00 C ATOM 3 C SER A 1 -15.756 5.328 -27.999 1.00 0.00 C ATOM 4 O SER A 1 -16.094 4.250 -27.508 1.00 0.00 O ATOM 5 CB SER A 1 -15.434 7.652 -27.095 1.00 0.00 C ATOM 6 OG SER A 1 -14.567 8.055 -28.146 1.00 0.00 O ATOM 0 H1 SER A 1 -18.375 6.662 -26.792 1.00 0.00 H new ATOM 0 H2 SER A 1 -17.463 5.306 -26.328 1.00 0.00 H new ATOM 0 H3 SER A 1 -17.144 6.823 -25.634 1.00 0.00 H new ATOM 0 HA SER A 1 -16.984 7.027 -28.441 1.00 0.00 H new ATOM 0 HB2 SER A 1 -15.955 8.523 -26.697 1.00 0.00 H new ATOM 0 HB3 SER A 1 -14.847 7.231 -26.279 1.00 0.00 H new ATOM 0 HG SER A 1 -13.927 8.715 -27.807 1.00 0.00 H new ATOM 14 N SER A 2 -14.782 5.443 -28.902 1.00 0.00 N ATOM 15 CA SER A 2 -14.049 4.287 -29.408 1.00 0.00 C ATOM 16 C SER A 2 -13.416 3.508 -28.258 1.00 0.00 C ATOM 17 O SER A 2 -13.463 2.279 -28.225 1.00 0.00 O ATOM 18 CB SER A 2 -12.971 4.744 -30.389 1.00 0.00 C ATOM 19 OG SER A 2 -13.519 5.597 -31.382 1.00 0.00 O ATOM 0 H SER A 2 -14.482 6.333 -29.299 1.00 0.00 H new ATOM 0 HA SER A 2 -14.748 3.630 -29.926 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.181 5.267 -29.850 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.513 3.876 -30.862 1.00 0.00 H new ATOM 0 HG SER A 2 -12.811 5.879 -31.998 1.00 0.00 H new ATOM 25 N GLN A 3 -12.827 4.236 -27.321 1.00 0.00 N ATOM 26 CA GLN A 3 -12.322 3.638 -26.099 1.00 0.00 C ATOM 27 C GLN A 3 -13.291 3.946 -24.969 1.00 0.00 C ATOM 28 O GLN A 3 -13.700 5.095 -24.793 1.00 0.00 O ATOM 29 CB GLN A 3 -10.925 4.163 -25.766 1.00 0.00 C ATOM 30 CG GLN A 3 -9.881 3.809 -26.814 1.00 0.00 C ATOM 31 CD GLN A 3 -8.482 4.255 -26.431 1.00 0.00 C ATOM 32 OE1 GLN A 3 -8.297 5.250 -25.726 1.00 0.00 O ATOM 33 NE2 GLN A 3 -7.484 3.522 -26.896 1.00 0.00 N ATOM 0 H GLN A 3 -12.688 5.244 -27.386 1.00 0.00 H new ATOM 0 HA GLN A 3 -12.241 2.559 -26.233 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -10.968 5.247 -25.659 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -10.613 3.759 -24.803 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -9.882 2.730 -26.971 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -10.156 4.269 -27.763 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -7.678 2.706 -27.476 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -6.521 3.773 -26.674 1.00 0.00 H new ATOM 42 N THR A 4 -13.664 2.927 -24.220 1.00 0.00 N ATOM 43 CA THR A 4 -14.684 3.071 -23.200 1.00 0.00 C ATOM 44 C THR A 4 -14.070 3.294 -21.822 1.00 0.00 C ATOM 45 O THR A 4 -13.238 2.511 -21.364 1.00 0.00 O ATOM 46 CB THR A 4 -15.606 1.840 -23.179 1.00 0.00 C ATOM 47 OG1 THR A 4 -14.831 0.643 -23.352 1.00 0.00 O ATOM 48 CG2 THR A 4 -16.657 1.935 -24.276 1.00 0.00 C ATOM 0 H THR A 4 -13.275 1.988 -24.299 1.00 0.00 H new ATOM 0 HA THR A 4 -15.276 3.951 -23.450 1.00 0.00 H new ATOM 0 HB THR A 4 -16.112 1.807 -22.214 1.00 0.00 H new ATOM 0 HG1 THR A 4 -15.425 -0.136 -23.336 1.00 0.00 H new ATOM 0 HG21 THR A 4 -17.298 1.054 -24.243 1.00 0.00 H new ATOM 0 HG22 THR A 4 -17.261 2.830 -24.125 1.00 0.00 H new ATOM 0 HG23 THR A 4 -16.165 1.989 -25.247 1.00 0.00 H new ATOM 56 N LEU A 5 -14.475 4.377 -21.174 1.00 0.00 N ATOM 57 CA LEU A 5 -13.998 4.690 -19.835 1.00 0.00 C ATOM 58 C LEU A 5 -14.699 3.810 -18.809 1.00 0.00 C ATOM 59 O LEU A 5 -15.812 3.340 -19.041 1.00 0.00 O ATOM 60 CB LEU A 5 -14.242 6.168 -19.508 1.00 0.00 C ATOM 61 CG LEU A 5 -13.516 7.167 -20.413 1.00 0.00 C ATOM 62 CD1 LEU A 5 -13.845 8.592 -19.996 1.00 0.00 C ATOM 63 CD2 LEU A 5 -12.013 6.936 -20.370 1.00 0.00 C ATOM 0 H LEU A 5 -15.135 5.055 -21.555 1.00 0.00 H new ATOM 0 HA LEU A 5 -12.926 4.497 -19.798 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -15.313 6.364 -19.564 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -13.939 6.350 -18.477 1.00 0.00 H new ATOM 0 HG LEU A 5 -13.857 7.015 -21.437 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -13.322 9.292 -20.648 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -14.920 8.756 -20.076 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -13.529 8.751 -18.965 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -11.515 7.656 -21.020 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -11.655 7.061 -19.348 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -11.790 5.925 -20.711 1.00 0.00 H new ATOM 75 N ASP A 6 -14.045 3.577 -17.685 1.00 0.00 N ATOM 76 CA ASP A 6 -14.625 2.762 -16.629 1.00 0.00 C ATOM 77 C ASP A 6 -15.312 3.662 -15.610 1.00 0.00 C ATOM 78 O ASP A 6 -14.818 4.747 -15.304 1.00 0.00 O ATOM 79 CB ASP A 6 -13.547 1.917 -15.942 1.00 0.00 C ATOM 80 CG ASP A 6 -14.121 0.711 -15.220 1.00 0.00 C ATOM 81 OD1 ASP A 6 -14.921 0.890 -14.279 1.00 0.00 O ATOM 82 OD2 ASP A 6 -13.779 -0.429 -15.601 1.00 0.00 O ATOM 0 H ASP A 6 -13.114 3.939 -17.479 1.00 0.00 H new ATOM 0 HA ASP A 6 -15.358 2.087 -17.070 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -12.825 1.580 -16.686 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -13.004 2.538 -15.229 1.00 0.00 H new ATOM 87 N ARG A 7 -16.451 3.214 -15.103 1.00 0.00 N ATOM 88 CA ARG A 7 -17.222 3.991 -14.141 1.00 0.00 C ATOM 89 C ARG A 7 -16.508 4.034 -12.795 1.00 0.00 C ATOM 90 O ARG A 7 -16.557 5.034 -12.078 1.00 0.00 O ATOM 91 CB ARG A 7 -18.608 3.376 -13.954 1.00 0.00 C ATOM 92 CG ARG A 7 -19.415 3.249 -15.233 1.00 0.00 C ATOM 93 CD ARG A 7 -20.748 2.575 -14.963 1.00 0.00 C ATOM 94 NE ARG A 7 -21.550 2.419 -16.172 1.00 0.00 N ATOM 95 CZ ARG A 7 -22.873 2.284 -16.168 1.00 0.00 C ATOM 96 NH1 ARG A 7 -23.538 2.282 -15.016 1.00 0.00 N ATOM 97 NH2 ARG A 7 -23.532 2.148 -17.311 1.00 0.00 N ATOM 0 H ARG A 7 -16.864 2.313 -15.342 1.00 0.00 H new ATOM 0 HA ARG A 7 -17.323 5.005 -14.527 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -18.496 2.387 -13.509 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -19.169 3.983 -13.244 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -19.582 4.237 -15.663 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -18.853 2.673 -15.968 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -20.573 1.595 -14.518 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -21.307 3.161 -14.233 1.00 0.00 H new ATOM 0 HE ARG A 7 -21.069 2.413 -17.071 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -23.033 2.384 -14.136 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -24.553 2.178 -15.013 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -23.024 2.147 -18.196 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -24.547 2.045 -17.305 1.00 0.00 H new ATOM 111 N ASP A 8 -15.842 2.939 -12.470 1.00 0.00 N ATOM 112 CA ASP A 8 -15.129 2.809 -11.211 1.00 0.00 C ATOM 113 C ASP A 8 -13.844 2.019 -11.424 1.00 0.00 C ATOM 114 O ASP A 8 -13.832 0.788 -11.384 1.00 0.00 O ATOM 115 CB ASP A 8 -16.014 2.162 -10.130 1.00 0.00 C ATOM 116 CG ASP A 8 -17.016 1.157 -10.676 1.00 0.00 C ATOM 117 OD1 ASP A 8 -16.661 -0.028 -10.839 1.00 0.00 O ATOM 118 OD2 ASP A 8 -18.183 1.543 -10.919 1.00 0.00 O ATOM 0 H ASP A 8 -15.780 2.117 -13.070 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.868 3.805 -10.854 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -15.375 1.664 -9.401 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -16.553 2.946 -9.598 1.00 0.00 H new ATOM 123 N PRO A 9 -12.744 2.736 -11.693 1.00 0.00 N ATOM 124 CA PRO A 9 -11.463 2.124 -12.036 1.00 0.00 C ATOM 125 C PRO A 9 -10.719 1.555 -10.830 1.00 0.00 C ATOM 126 O PRO A 9 -10.915 1.988 -9.691 1.00 0.00 O ATOM 127 CB PRO A 9 -10.678 3.286 -12.644 1.00 0.00 C ATOM 128 CG PRO A 9 -11.219 4.500 -11.971 1.00 0.00 C ATOM 129 CD PRO A 9 -12.669 4.211 -11.684 1.00 0.00 C ATOM 0 HA PRO A 9 -11.594 1.270 -12.700 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.608 3.178 -12.466 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.818 3.336 -13.724 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.674 4.710 -11.050 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.116 5.377 -12.609 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.976 4.621 -10.722 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -13.321 4.649 -12.440 1.00 0.00 H new ATOM 137 N THR A 10 -9.869 0.577 -11.097 1.00 0.00 N ATOM 138 CA THR A 10 -9.016 0.002 -10.074 1.00 0.00 C ATOM 139 C THR A 10 -7.612 0.589 -10.181 1.00 0.00 C ATOM 140 O THR A 10 -6.977 0.517 -11.237 1.00 0.00 O ATOM 141 CB THR A 10 -8.952 -1.532 -10.205 1.00 0.00 C ATOM 142 OG1 THR A 10 -10.280 -2.074 -10.213 1.00 0.00 O ATOM 143 CG2 THR A 10 -8.163 -2.143 -9.057 1.00 0.00 C ATOM 0 H THR A 10 -9.752 0.163 -12.022 1.00 0.00 H new ATOM 0 HA THR A 10 -9.440 0.245 -9.099 1.00 0.00 H new ATOM 0 HB THR A 10 -8.449 -1.774 -11.141 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.235 -3.049 -10.298 1.00 0.00 H new ATOM 0 HG21 THR A 10 -8.132 -3.226 -9.173 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.147 -1.749 -9.063 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.644 -1.892 -8.111 1.00 0.00 H new ATOM 151 N LEU A 11 -7.139 1.177 -9.096 1.00 0.00 N ATOM 152 CA LEU A 11 -5.851 1.851 -9.087 1.00 0.00 C ATOM 153 C LEU A 11 -4.793 0.970 -8.438 1.00 0.00 C ATOM 154 O LEU A 11 -5.109 0.047 -7.685 1.00 0.00 O ATOM 155 CB LEU A 11 -5.948 3.185 -8.340 1.00 0.00 C ATOM 156 CG LEU A 11 -6.986 4.170 -8.885 1.00 0.00 C ATOM 157 CD1 LEU A 11 -6.987 5.448 -8.060 1.00 0.00 C ATOM 158 CD2 LEU A 11 -6.718 4.483 -10.350 1.00 0.00 C ATOM 0 H LEU A 11 -7.632 1.201 -8.203 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.562 2.046 -10.120 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.180 2.980 -7.295 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.970 3.666 -8.361 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.970 3.706 -8.811 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.730 6.138 -8.460 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.231 5.212 -7.024 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.001 5.911 -8.104 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.468 5.185 -10.715 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.727 4.925 -10.452 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.767 3.564 -10.933 1.00 0.00 H new ATOM 170 N THR A 12 -3.539 1.253 -8.739 1.00 0.00 N ATOM 171 CA THR A 12 -2.429 0.515 -8.166 1.00 0.00 C ATOM 172 C THR A 12 -1.439 1.480 -7.517 1.00 0.00 C ATOM 173 O THR A 12 -0.625 2.108 -8.196 1.00 0.00 O ATOM 174 CB THR A 12 -1.730 -0.337 -9.242 1.00 0.00 C ATOM 175 OG1 THR A 12 -2.704 -1.150 -9.910 1.00 0.00 O ATOM 176 CG2 THR A 12 -0.663 -1.231 -8.632 1.00 0.00 C ATOM 0 H THR A 12 -3.263 1.995 -9.382 1.00 0.00 H new ATOM 0 HA THR A 12 -2.815 -0.158 -7.400 1.00 0.00 H new ATOM 0 HB THR A 12 -1.248 0.336 -9.951 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.262 -1.692 -10.597 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.189 -1.819 -9.417 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.088 -0.615 -8.136 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.122 -1.900 -7.904 1.00 0.00 H new ATOM 184 N LEU A 13 -1.532 1.607 -6.200 1.00 0.00 N ATOM 185 CA LEU A 13 -0.757 2.599 -5.463 1.00 0.00 C ATOM 186 C LEU A 13 0.519 1.993 -4.898 1.00 0.00 C ATOM 187 O LEU A 13 0.522 0.852 -4.441 1.00 0.00 O ATOM 188 CB LEU A 13 -1.599 3.189 -4.330 1.00 0.00 C ATOM 189 CG LEU A 13 -2.891 3.876 -4.776 1.00 0.00 C ATOM 190 CD1 LEU A 13 -3.621 4.468 -3.581 1.00 0.00 C ATOM 191 CD2 LEU A 13 -2.587 4.949 -5.809 1.00 0.00 C ATOM 0 H LEU A 13 -2.140 1.032 -5.616 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.479 3.392 -6.157 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.852 2.391 -3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.991 3.910 -3.783 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.541 3.131 -5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.537 4.952 -3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.868 3.674 -2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.981 5.202 -3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.515 5.430 -6.118 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.920 5.693 -5.375 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.108 4.494 -6.676 1.00 0.00 H new ATOM 203 N SER A 14 1.594 2.766 -4.926 1.00 0.00 N ATOM 204 CA SER A 14 2.889 2.302 -4.449 1.00 0.00 C ATOM 205 C SER A 14 2.918 2.240 -2.921 1.00 0.00 C ATOM 206 O SER A 14 2.364 3.110 -2.246 1.00 0.00 O ATOM 207 CB SER A 14 3.988 3.235 -4.958 1.00 0.00 C ATOM 208 OG SER A 14 3.902 3.397 -6.365 1.00 0.00 O ATOM 0 H SER A 14 1.595 3.724 -5.276 1.00 0.00 H new ATOM 0 HA SER A 14 3.061 1.296 -4.832 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.901 4.206 -4.470 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.965 2.831 -4.693 1.00 0.00 H new ATOM 0 HG SER A 14 4.613 3.999 -6.669 1.00 0.00 H new ATOM 214 N LEU A 15 3.556 1.203 -2.388 1.00 0.00 N ATOM 215 CA LEU A 15 3.678 1.029 -0.946 1.00 0.00 C ATOM 216 C LEU A 15 5.020 1.575 -0.465 1.00 0.00 C ATOM 217 O LEU A 15 6.073 1.182 -0.969 1.00 0.00 O ATOM 218 CB LEU A 15 3.553 -0.454 -0.583 1.00 0.00 C ATOM 219 CG LEU A 15 3.579 -0.775 0.913 1.00 0.00 C ATOM 220 CD1 LEU A 15 2.338 -0.228 1.597 1.00 0.00 C ATOM 221 CD2 LEU A 15 3.694 -2.276 1.130 1.00 0.00 C ATOM 0 H LEU A 15 3.999 0.467 -2.938 1.00 0.00 H new ATOM 0 HA LEU A 15 2.876 1.581 -0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.621 -0.834 -1.001 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.365 -0.997 -1.067 1.00 0.00 H new ATOM 0 HG LEU A 15 4.452 -0.295 1.356 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.374 -0.466 2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.298 0.854 1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.450 -0.679 1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.711 -2.489 2.199 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.839 -2.776 0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.614 -2.640 0.673 1.00 0.00 H new ATOM 233 N ILE A 16 4.981 2.481 0.502 1.00 0.00 N ATOM 234 CA ILE A 16 6.194 3.101 1.016 1.00 0.00 C ATOM 235 C ILE A 16 6.337 2.888 2.522 1.00 0.00 C ATOM 236 O ILE A 16 5.346 2.742 3.240 1.00 0.00 O ATOM 237 CB ILE A 16 6.231 4.616 0.714 1.00 0.00 C ATOM 238 CG1 ILE A 16 5.011 5.314 1.325 1.00 0.00 C ATOM 239 CG2 ILE A 16 6.293 4.856 -0.788 1.00 0.00 C ATOM 240 CD1 ILE A 16 5.028 6.818 1.171 1.00 0.00 C ATOM 0 H ILE A 16 4.121 2.803 0.947 1.00 0.00 H new ATOM 0 HA ILE A 16 7.027 2.617 0.507 1.00 0.00 H new ATOM 0 HB ILE A 16 7.128 5.039 1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.108 4.921 0.859 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.956 5.067 2.385 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.318 5.928 -0.984 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.191 4.391 -1.194 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.413 4.421 -1.263 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.133 7.241 1.628 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.912 7.224 1.662 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.051 7.075 0.112 1.00 0.00 H new ATOM 252 N ALA A 17 7.580 2.870 2.987 1.00 0.00 N ATOM 253 CA ALA A 17 7.878 2.700 4.404 1.00 0.00 C ATOM 254 C ALA A 17 7.675 4.009 5.153 1.00 0.00 C ATOM 255 O ALA A 17 8.128 5.066 4.702 1.00 0.00 O ATOM 256 CB ALA A 17 9.304 2.202 4.577 1.00 0.00 C ATOM 0 H ALA A 17 8.406 2.972 2.397 1.00 0.00 H new ATOM 0 HA ALA A 17 7.194 1.960 4.821 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.520 2.077 5.638 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.419 1.245 4.068 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.997 2.926 4.149 1.00 0.00 H new ATOM 262 N LYS A 18 6.984 3.944 6.282 1.00 0.00 N ATOM 263 CA LYS A 18 6.753 5.125 7.097 1.00 0.00 C ATOM 264 C LYS A 18 7.127 4.845 8.548 1.00 0.00 C ATOM 265 O LYS A 18 6.876 3.748 9.057 1.00 0.00 O ATOM 266 CB LYS A 18 5.291 5.571 7.008 1.00 0.00 C ATOM 267 CG LYS A 18 5.040 6.932 7.635 1.00 0.00 C ATOM 268 CD LYS A 18 3.584 7.347 7.530 1.00 0.00 C ATOM 269 CE LYS A 18 3.394 8.802 7.929 1.00 0.00 C ATOM 270 NZ LYS A 18 3.799 9.058 9.339 1.00 0.00 N ATOM 0 H LYS A 18 6.575 3.087 6.653 1.00 0.00 H new ATOM 0 HA LYS A 18 7.382 5.930 6.717 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.990 5.600 5.961 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.661 4.830 7.500 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.335 6.908 8.684 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.666 7.678 7.145 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.234 7.199 6.508 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.975 6.709 8.171 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.978 9.438 7.264 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.348 9.079 7.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.573 10.041 9.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.285 8.411 9.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.822 8.901 9.440 1.00 0.00 H new ATOM 284 N ASN A 19 7.749 5.835 9.191 1.00 0.00 N ATOM 285 CA ASN A 19 8.168 5.731 10.594 1.00 0.00 C ATOM 286 C ASN A 19 9.167 4.593 10.778 1.00 0.00 C ATOM 287 O ASN A 19 9.389 4.112 11.889 1.00 0.00 O ATOM 288 CB ASN A 19 6.958 5.506 11.508 1.00 0.00 C ATOM 289 CG ASN A 19 5.896 6.582 11.374 1.00 0.00 C ATOM 290 OD1 ASN A 19 6.188 7.742 11.070 1.00 0.00 O ATOM 291 ND2 ASN A 19 4.649 6.201 11.592 1.00 0.00 N ATOM 0 H ASN A 19 7.977 6.730 8.757 1.00 0.00 H new ATOM 0 HA ASN A 19 8.648 6.671 10.867 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.514 4.537 11.280 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.296 5.466 12.543 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.888 6.875 11.511 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.448 5.233 11.841 1.00 0.00 H new ATOM 298 N THR A 20 9.791 4.191 9.681 1.00 0.00 N ATOM 299 CA THR A 20 10.675 3.043 9.674 1.00 0.00 C ATOM 300 C THR A 20 12.053 3.403 10.230 1.00 0.00 C ATOM 301 O THR A 20 12.759 4.241 9.670 1.00 0.00 O ATOM 302 CB THR A 20 10.793 2.487 8.241 1.00 0.00 C ATOM 303 OG1 THR A 20 9.486 2.163 7.752 1.00 0.00 O ATOM 304 CG2 THR A 20 11.681 1.251 8.192 1.00 0.00 C ATOM 0 H THR A 20 9.697 4.652 8.776 1.00 0.00 H new ATOM 0 HA THR A 20 10.251 2.274 10.320 1.00 0.00 H new ATOM 0 HB THR A 20 11.251 3.251 7.613 1.00 0.00 H new ATOM 0 HG1 THR A 20 8.981 2.988 7.597 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.741 0.887 7.166 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.680 1.506 8.545 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.258 0.474 8.829 1.00 0.00 H new ATOM 312 N PRO A 21 12.434 2.782 11.363 1.00 0.00 N ATOM 313 CA PRO A 21 13.728 3.027 12.010 1.00 0.00 C ATOM 314 C PRO A 21 14.906 2.509 11.185 1.00 0.00 C ATOM 315 O PRO A 21 14.725 1.907 10.124 1.00 0.00 O ATOM 316 CB PRO A 21 13.621 2.265 13.333 1.00 0.00 C ATOM 317 CG PRO A 21 12.589 1.216 13.094 1.00 0.00 C ATOM 318 CD PRO A 21 11.622 1.796 12.104 1.00 0.00 C ATOM 0 HA PRO A 21 13.920 4.093 12.133 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.577 1.821 13.611 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.328 2.928 14.147 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.043 0.305 12.706 1.00 0.00 H new ATOM 0 HG3 PRO A 21 12.083 0.950 14.022 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.218 1.030 11.442 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.774 2.267 12.601 1.00 0.00 H new ATOM 326 N ALA A 22 16.115 2.729 11.683 1.00 0.00 N ATOM 327 CA ALA A 22 17.318 2.367 10.953 1.00 0.00 C ATOM 328 C ALA A 22 17.672 0.902 11.171 1.00 0.00 C ATOM 329 O ALA A 22 18.260 0.265 10.304 1.00 0.00 O ATOM 330 CB ALA A 22 18.479 3.261 11.366 1.00 0.00 C ATOM 0 H ALA A 22 16.287 3.158 12.592 1.00 0.00 H new ATOM 0 HA ALA A 22 17.124 2.513 9.890 1.00 0.00 H new ATOM 0 HB1 ALA A 22 19.373 2.977 10.810 1.00 0.00 H new ATOM 0 HB2 ALA A 22 18.232 4.301 11.150 1.00 0.00 H new ATOM 0 HB3 ALA A 22 18.664 3.146 12.434 1.00 0.00 H new ATOM 336 N ASN A 23 17.290 0.366 12.326 1.00 0.00 N ATOM 337 CA ASN A 23 17.608 -1.021 12.674 1.00 0.00 C ATOM 338 C ASN A 23 16.752 -2.009 11.889 1.00 0.00 C ATOM 339 O ASN A 23 17.010 -3.212 11.900 1.00 0.00 O ATOM 340 CB ASN A 23 17.420 -1.259 14.175 1.00 0.00 C ATOM 341 CG ASN A 23 18.473 -0.562 15.016 1.00 0.00 C ATOM 342 OD1 ASN A 23 18.316 0.596 15.397 1.00 0.00 O ATOM 343 ND2 ASN A 23 19.546 -1.271 15.330 1.00 0.00 N ATOM 0 H ASN A 23 16.760 0.868 13.039 1.00 0.00 H new ATOM 0 HA ASN A 23 18.652 -1.187 12.410 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.432 -0.908 14.473 1.00 0.00 H new ATOM 0 HB3 ASN A 23 17.452 -2.330 14.375 1.00 0.00 H new ATOM 0 HD21 ASN A 23 20.279 -0.859 15.908 1.00 0.00 H new ATOM 0 HD22 ASN A 23 19.640 -2.230 14.994 1.00 0.00 H new ATOM 350 N SER A 24 15.745 -1.500 11.200 1.00 0.00 N ATOM 351 CA SER A 24 14.852 -2.341 10.429 1.00 0.00 C ATOM 352 C SER A 24 15.228 -2.285 8.956 1.00 0.00 C ATOM 353 O SER A 24 15.071 -1.257 8.298 1.00 0.00 O ATOM 354 CB SER A 24 13.404 -1.900 10.635 1.00 0.00 C ATOM 355 OG SER A 24 13.271 -0.502 10.456 1.00 0.00 O ATOM 0 H SER A 24 15.527 -0.504 11.160 1.00 0.00 H new ATOM 0 HA SER A 24 14.948 -3.371 10.772 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.757 -2.424 9.932 1.00 0.00 H new ATOM 0 HB3 SER A 24 13.075 -2.175 11.637 1.00 0.00 H new ATOM 0 HG SER A 24 13.903 -0.198 9.771 1.00 0.00 H new ATOM 361 N MET A 25 15.754 -3.387 8.463 1.00 0.00 N ATOM 362 CA MET A 25 16.179 -3.480 7.080 1.00 0.00 C ATOM 363 C MET A 25 15.151 -4.262 6.269 1.00 0.00 C ATOM 364 O MET A 25 15.004 -5.469 6.436 1.00 0.00 O ATOM 365 CB MET A 25 17.549 -4.155 7.022 1.00 0.00 C ATOM 366 CG MET A 25 18.100 -4.346 5.618 1.00 0.00 C ATOM 367 SD MET A 25 19.677 -5.222 5.624 1.00 0.00 S ATOM 368 CE MET A 25 20.032 -5.290 3.872 1.00 0.00 C ATOM 0 H MET A 25 15.899 -4.239 9.005 1.00 0.00 H new ATOM 0 HA MET A 25 16.258 -2.482 6.649 1.00 0.00 H new ATOM 0 HB2 MET A 25 18.257 -3.560 7.599 1.00 0.00 H new ATOM 0 HB3 MET A 25 17.481 -5.129 7.507 1.00 0.00 H new ATOM 0 HG2 MET A 25 17.379 -4.901 5.018 1.00 0.00 H new ATOM 0 HG3 MET A 25 18.228 -3.373 5.143 1.00 0.00 H new ATOM 0 HE1 MET A 25 20.980 -5.804 3.712 1.00 0.00 H new ATOM 0 HE2 MET A 25 19.235 -5.830 3.360 1.00 0.00 H new ATOM 0 HE3 MET A 25 20.098 -4.277 3.474 1.00 0.00 H new ATOM 378 N ILE A 26 14.425 -3.563 5.411 1.00 0.00 N ATOM 379 CA ILE A 26 13.350 -4.180 4.644 1.00 0.00 C ATOM 380 C ILE A 26 13.913 -4.971 3.469 1.00 0.00 C ATOM 381 O ILE A 26 14.408 -4.396 2.501 1.00 0.00 O ATOM 382 CB ILE A 26 12.355 -3.120 4.121 1.00 0.00 C ATOM 383 CG1 ILE A 26 11.858 -2.245 5.275 1.00 0.00 C ATOM 384 CG2 ILE A 26 11.183 -3.794 3.423 1.00 0.00 C ATOM 385 CD1 ILE A 26 10.934 -1.127 4.836 1.00 0.00 C ATOM 0 H ILE A 26 14.559 -2.569 5.227 1.00 0.00 H new ATOM 0 HA ILE A 26 12.819 -4.857 5.313 1.00 0.00 H new ATOM 0 HB ILE A 26 12.869 -2.485 3.399 1.00 0.00 H new ATOM 0 HG12 ILE A 26 11.337 -2.873 5.997 1.00 0.00 H new ATOM 0 HG13 ILE A 26 12.717 -1.814 5.789 1.00 0.00 H new ATOM 0 HG21 ILE A 26 10.490 -3.035 3.060 1.00 0.00 H new ATOM 0 HG22 ILE A 26 11.550 -4.382 2.582 1.00 0.00 H new ATOM 0 HG23 ILE A 26 10.668 -4.448 4.126 1.00 0.00 H new ATOM 0 HD11 ILE A 26 10.622 -0.550 5.706 1.00 0.00 H new ATOM 0 HD12 ILE A 26 11.458 -0.475 4.137 1.00 0.00 H new ATOM 0 HD13 ILE A 26 10.056 -1.551 4.349 1.00 0.00 H new ATOM 397 N MET A 27 13.849 -6.293 3.568 1.00 0.00 N ATOM 398 CA MET A 27 14.352 -7.156 2.508 1.00 0.00 C ATOM 399 C MET A 27 13.281 -7.381 1.448 1.00 0.00 C ATOM 400 O MET A 27 13.581 -7.526 0.264 1.00 0.00 O ATOM 401 CB MET A 27 14.826 -8.494 3.077 1.00 0.00 C ATOM 402 CG MET A 27 15.954 -8.355 4.084 1.00 0.00 C ATOM 403 SD MET A 27 16.603 -9.946 4.629 1.00 0.00 S ATOM 404 CE MET A 27 17.335 -10.547 3.110 1.00 0.00 C ATOM 0 H MET A 27 13.456 -6.789 4.368 1.00 0.00 H new ATOM 0 HA MET A 27 15.203 -6.660 2.042 1.00 0.00 H new ATOM 0 HB2 MET A 27 13.984 -8.997 3.553 1.00 0.00 H new ATOM 0 HB3 MET A 27 15.157 -9.132 2.258 1.00 0.00 H new ATOM 0 HG2 MET A 27 16.761 -7.771 3.641 1.00 0.00 H new ATOM 0 HG3 MET A 27 15.596 -7.798 4.950 1.00 0.00 H new ATOM 0 HE1 MET A 27 18.092 -11.296 3.342 1.00 0.00 H new ATOM 0 HE2 MET A 27 16.562 -10.994 2.485 1.00 0.00 H new ATOM 0 HE3 MET A 27 17.798 -9.717 2.576 1.00 0.00 H new ATOM 414 N THR A 28 12.031 -7.409 1.881 1.00 0.00 N ATOM 415 CA THR A 28 10.913 -7.536 0.967 1.00 0.00 C ATOM 416 C THR A 28 10.727 -6.239 0.188 1.00 0.00 C ATOM 417 O THR A 28 10.363 -5.212 0.762 1.00 0.00 O ATOM 418 CB THR A 28 9.615 -7.865 1.730 1.00 0.00 C ATOM 419 OG1 THR A 28 9.843 -8.961 2.627 1.00 0.00 O ATOM 420 CG2 THR A 28 8.488 -8.216 0.770 1.00 0.00 C ATOM 0 H THR A 28 11.767 -7.345 2.864 1.00 0.00 H new ATOM 0 HA THR A 28 11.130 -8.351 0.276 1.00 0.00 H new ATOM 0 HB THR A 28 9.320 -6.981 2.296 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.012 -9.468 2.741 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.585 -8.443 1.337 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.298 -7.371 0.108 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.773 -9.085 0.177 1.00 0.00 H new ATOM 428 N LYS A 29 11.001 -6.278 -1.109 1.00 0.00 N ATOM 429 CA LYS A 29 10.853 -5.094 -1.942 1.00 0.00 C ATOM 430 C LYS A 29 9.387 -4.701 -2.023 1.00 0.00 C ATOM 431 O LYS A 29 8.557 -5.471 -2.508 1.00 0.00 O ATOM 432 CB LYS A 29 11.421 -5.327 -3.343 1.00 0.00 C ATOM 433 CG LYS A 29 12.902 -5.666 -3.347 1.00 0.00 C ATOM 434 CD LYS A 29 13.487 -5.602 -4.748 1.00 0.00 C ATOM 435 CE LYS A 29 14.945 -6.024 -4.754 1.00 0.00 C ATOM 436 NZ LYS A 29 15.589 -5.783 -6.069 1.00 0.00 N ATOM 0 H LYS A 29 11.324 -7.110 -1.603 1.00 0.00 H new ATOM 0 HA LYS A 29 11.418 -4.281 -1.486 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.869 -6.137 -3.820 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.259 -4.433 -3.945 1.00 0.00 H new ATOM 0 HG2 LYS A 29 13.436 -4.973 -2.697 1.00 0.00 H new ATOM 0 HG3 LYS A 29 13.048 -6.665 -2.936 1.00 0.00 H new ATOM 0 HD2 LYS A 29 12.916 -6.249 -5.413 1.00 0.00 H new ATOM 0 HD3 LYS A 29 13.398 -4.587 -5.136 1.00 0.00 H new ATOM 0 HE2 LYS A 29 15.484 -5.476 -3.981 1.00 0.00 H new ATOM 0 HE3 LYS A 29 15.017 -7.082 -4.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 16.583 -6.085 -6.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.092 -6.325 -6.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 15.544 -4.769 -6.297 1.00 0.00 H new ATOM 450 N LEU A 30 9.088 -3.508 -1.531 1.00 0.00 N ATOM 451 CA LEU A 30 7.714 -3.035 -1.408 1.00 0.00 C ATOM 452 C LEU A 30 7.045 -2.901 -2.771 1.00 0.00 C ATOM 453 O LEU A 30 7.453 -2.078 -3.594 1.00 0.00 O ATOM 454 CB LEU A 30 7.685 -1.688 -0.680 1.00 0.00 C ATOM 455 CG LEU A 30 8.287 -1.696 0.728 1.00 0.00 C ATOM 456 CD1 LEU A 30 8.302 -0.291 1.307 1.00 0.00 C ATOM 457 CD2 LEU A 30 7.512 -2.639 1.637 1.00 0.00 C ATOM 0 H LEU A 30 9.788 -2.841 -1.206 1.00 0.00 H new ATOM 0 HA LEU A 30 7.158 -3.773 -0.830 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.221 -0.955 -1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.651 -1.351 -0.614 1.00 0.00 H new ATOM 0 HG LEU A 30 9.315 -2.053 0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.733 -0.315 2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.901 0.359 0.669 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.283 0.092 1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.955 -2.631 2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.474 -2.313 1.699 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.551 -3.650 1.231 1.00 0.00 H new ATOM 469 N PRO A 31 6.014 -3.719 -3.026 1.00 0.00 N ATOM 470 CA PRO A 31 5.246 -3.663 -4.264 1.00 0.00 C ATOM 471 C PRO A 31 4.134 -2.619 -4.193 1.00 0.00 C ATOM 472 O PRO A 31 4.160 -1.728 -3.344 1.00 0.00 O ATOM 473 CB PRO A 31 4.663 -5.071 -4.357 1.00 0.00 C ATOM 474 CG PRO A 31 4.468 -5.495 -2.939 1.00 0.00 C ATOM 475 CD PRO A 31 5.515 -4.777 -2.122 1.00 0.00 C ATOM 0 HA PRO A 31 5.849 -3.377 -5.126 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.720 -5.074 -4.904 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.339 -5.746 -4.883 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.466 -5.240 -2.593 1.00 0.00 H new ATOM 0 HG3 PRO A 31 4.574 -6.575 -2.840 1.00 0.00 H new ATOM 0 HD2 PRO A 31 5.090 -4.355 -1.211 1.00 0.00 H new ATOM 0 HD3 PRO A 31 6.315 -5.452 -1.818 1.00 0.00 H new ATOM 483 N SER A 32 3.163 -2.725 -5.081 1.00 0.00 N ATOM 484 CA SER A 32 2.047 -1.801 -5.089 1.00 0.00 C ATOM 485 C SER A 32 0.749 -2.512 -4.721 1.00 0.00 C ATOM 486 O SER A 32 0.593 -3.709 -4.972 1.00 0.00 O ATOM 487 CB SER A 32 1.922 -1.144 -6.459 1.00 0.00 C ATOM 488 OG SER A 32 3.086 -0.398 -6.774 1.00 0.00 O ATOM 0 H SER A 32 3.126 -3.442 -5.806 1.00 0.00 H new ATOM 0 HA SER A 32 2.234 -1.030 -4.342 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.759 -1.908 -7.219 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.051 -0.489 -6.474 1.00 0.00 H new ATOM 0 HG SER A 32 2.982 0.012 -7.658 1.00 0.00 H new ATOM 494 N VAL A 33 -0.171 -1.772 -4.122 1.00 0.00 N ATOM 495 CA VAL A 33 -1.455 -2.321 -3.713 1.00 0.00 C ATOM 496 C VAL A 33 -2.511 -2.086 -4.788 1.00 0.00 C ATOM 497 O VAL A 33 -2.423 -1.126 -5.560 1.00 0.00 O ATOM 498 CB VAL A 33 -1.936 -1.716 -2.376 1.00 0.00 C ATOM 499 CG1 VAL A 33 -0.962 -2.052 -1.257 1.00 0.00 C ATOM 500 CG2 VAL A 33 -2.117 -0.209 -2.492 1.00 0.00 C ATOM 0 H VAL A 33 -0.051 -0.782 -3.907 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.314 -3.393 -3.573 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.905 -2.155 -2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.317 -1.617 -0.323 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.890 -3.134 -1.150 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.021 -1.645 -1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.456 0.191 -1.537 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.167 0.252 -2.762 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.858 0.010 -3.261 1.00 0.00 H new ATOM 510 N ARG A 34 -3.501 -2.959 -4.836 1.00 0.00 N ATOM 511 CA ARG A 34 -4.544 -2.883 -5.842 1.00 0.00 C ATOM 512 C ARG A 34 -5.865 -2.483 -5.194 1.00 0.00 C ATOM 513 O ARG A 34 -6.532 -3.300 -4.559 1.00 0.00 O ATOM 514 CB ARG A 34 -4.681 -4.233 -6.547 1.00 0.00 C ATOM 515 CG ARG A 34 -5.449 -4.174 -7.854 1.00 0.00 C ATOM 516 CD ARG A 34 -5.549 -5.546 -8.498 1.00 0.00 C ATOM 517 NE ARG A 34 -6.046 -5.472 -9.870 1.00 0.00 N ATOM 518 CZ ARG A 34 -6.500 -6.518 -10.559 1.00 0.00 C ATOM 519 NH1 ARG A 34 -6.544 -7.721 -9.994 1.00 0.00 N ATOM 520 NH2 ARG A 34 -6.908 -6.360 -11.813 1.00 0.00 N ATOM 0 H ARG A 34 -3.604 -3.736 -4.183 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.277 -2.127 -6.580 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.685 -4.632 -6.741 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.180 -4.932 -5.876 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.449 -3.781 -7.673 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.955 -3.484 -8.538 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.568 -6.021 -8.493 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.212 -6.177 -7.906 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.045 -4.561 -10.330 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.230 -7.844 -9.031 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.892 -8.521 -10.523 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.874 -5.438 -12.248 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.256 -7.161 -12.341 1.00 0.00 H new ATOM 534 N VAL A 35 -6.230 -1.221 -5.343 1.00 0.00 N ATOM 535 CA VAL A 35 -7.430 -0.700 -4.710 1.00 0.00 C ATOM 536 C VAL A 35 -8.406 -0.171 -5.754 1.00 0.00 C ATOM 537 O VAL A 35 -8.021 0.555 -6.667 1.00 0.00 O ATOM 538 CB VAL A 35 -7.099 0.417 -3.691 1.00 0.00 C ATOM 539 CG1 VAL A 35 -6.326 -0.150 -2.510 1.00 0.00 C ATOM 540 CG2 VAL A 35 -6.310 1.544 -4.346 1.00 0.00 C ATOM 0 H VAL A 35 -5.713 -0.538 -5.897 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.894 -1.527 -4.172 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.041 0.829 -3.329 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.102 0.650 -1.804 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.926 -0.913 -2.015 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.395 -0.593 -2.863 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.092 2.314 -3.606 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.375 1.150 -4.745 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.897 1.976 -5.156 1.00 0.00 H new ATOM 550 N LYS A 36 -9.668 -0.547 -5.630 1.00 0.00 N ATOM 551 CA LYS A 36 -10.677 -0.103 -6.576 1.00 0.00 C ATOM 552 C LYS A 36 -11.416 1.097 -6.012 1.00 0.00 C ATOM 553 O LYS A 36 -11.771 1.117 -4.834 1.00 0.00 O ATOM 554 CB LYS A 36 -11.652 -1.238 -6.904 1.00 0.00 C ATOM 555 CG LYS A 36 -12.718 -0.845 -7.914 1.00 0.00 C ATOM 556 CD LYS A 36 -13.485 -2.052 -8.424 1.00 0.00 C ATOM 557 CE LYS A 36 -14.553 -1.639 -9.420 1.00 0.00 C ATOM 558 NZ LYS A 36 -15.172 -2.808 -10.092 1.00 0.00 N ATOM 0 H LYS A 36 -10.016 -1.155 -4.889 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.185 0.191 -7.503 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.091 -2.088 -7.291 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.137 -1.568 -5.985 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -13.412 -0.141 -7.455 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.251 -0.330 -8.753 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.795 -2.753 -8.895 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.947 -2.574 -7.586 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -15.325 -1.066 -8.906 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.114 -0.981 -10.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.895 -2.480 -10.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.441 -3.341 -10.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -15.614 -3.424 -9.380 1.00 0.00 H new ATOM 572 N THR A 37 -11.633 2.099 -6.850 1.00 0.00 N ATOM 573 CA THR A 37 -12.243 3.340 -6.410 1.00 0.00 C ATOM 574 C THR A 37 -13.431 3.715 -7.289 1.00 0.00 C ATOM 575 O THR A 37 -13.375 3.581 -8.509 1.00 0.00 O ATOM 576 CB THR A 37 -11.214 4.486 -6.435 1.00 0.00 C ATOM 577 OG1 THR A 37 -10.593 4.556 -7.727 1.00 0.00 O ATOM 578 CG2 THR A 37 -10.148 4.290 -5.369 1.00 0.00 C ATOM 0 H THR A 37 -11.394 2.075 -7.841 1.00 0.00 H new ATOM 0 HA THR A 37 -12.595 3.187 -5.390 1.00 0.00 H new ATOM 0 HB THR A 37 -11.741 5.418 -6.228 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.941 5.287 -7.737 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.436 5.114 -5.411 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.617 4.265 -4.385 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.626 3.350 -5.545 1.00 0.00 H new ATOM 586 N GLU A 38 -14.499 4.183 -6.662 1.00 0.00 N ATOM 587 CA GLU A 38 -15.662 4.663 -7.388 1.00 0.00 C ATOM 588 C GLU A 38 -15.598 6.178 -7.512 1.00 0.00 C ATOM 589 O GLU A 38 -15.886 6.911 -6.559 1.00 0.00 O ATOM 590 CB GLU A 38 -16.961 4.223 -6.706 1.00 0.00 C ATOM 591 CG GLU A 38 -17.290 2.753 -6.925 1.00 0.00 C ATOM 592 CD GLU A 38 -18.495 2.288 -6.131 1.00 0.00 C ATOM 593 OE1 GLU A 38 -19.457 3.070 -5.983 1.00 0.00 O ATOM 594 OE2 GLU A 38 -18.487 1.137 -5.650 1.00 0.00 O ATOM 0 H GLU A 38 -14.583 4.240 -5.647 1.00 0.00 H new ATOM 0 HA GLU A 38 -15.656 4.226 -8.386 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.884 4.415 -5.636 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -17.784 4.832 -7.081 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -17.474 2.582 -7.986 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -16.426 2.149 -6.650 1.00 0.00 H new ATOM 601 N GLY A 39 -15.171 6.633 -8.677 1.00 0.00 N ATOM 602 CA GLY A 39 -15.028 8.048 -8.929 1.00 0.00 C ATOM 603 C GLY A 39 -13.975 8.312 -9.981 1.00 0.00 C ATOM 604 O GLY A 39 -13.039 7.529 -10.136 1.00 0.00 O ATOM 0 H GLY A 39 -14.917 6.036 -9.464 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -15.983 8.460 -9.255 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.759 8.559 -8.005 1.00 0.00 H new ATOM 608 N TYR A 40 -14.124 9.406 -10.708 1.00 0.00 N ATOM 609 CA TYR A 40 -13.190 9.741 -11.769 1.00 0.00 C ATOM 610 C TYR A 40 -12.049 10.591 -11.223 1.00 0.00 C ATOM 611 O TYR A 40 -12.240 11.378 -10.294 1.00 0.00 O ATOM 612 CB TYR A 40 -13.907 10.479 -12.899 1.00 0.00 C ATOM 613 CG TYR A 40 -15.070 9.708 -13.485 1.00 0.00 C ATOM 614 CD1 TYR A 40 -14.860 8.609 -14.310 1.00 0.00 C ATOM 615 CD2 TYR A 40 -16.380 10.079 -13.210 1.00 0.00 C ATOM 616 CE1 TYR A 40 -15.922 7.907 -14.846 1.00 0.00 C ATOM 617 CE2 TYR A 40 -17.446 9.382 -13.742 1.00 0.00 C ATOM 618 CZ TYR A 40 -17.212 8.295 -14.555 1.00 0.00 C ATOM 619 OH TYR A 40 -18.275 7.599 -15.088 1.00 0.00 O ATOM 0 H TYR A 40 -14.882 10.077 -10.583 1.00 0.00 H new ATOM 0 HA TYR A 40 -12.775 8.816 -12.168 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.269 11.436 -12.524 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -13.191 10.697 -13.691 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -13.850 8.299 -14.535 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -16.568 10.928 -12.569 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -15.742 7.059 -15.490 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -18.458 9.687 -13.522 1.00 0.00 H new ATOM 0 HH TYR A 40 -19.115 8.001 -14.783 1.00 0.00 H new ATOM 629 N ASN A 41 -10.869 10.430 -11.800 1.00 0.00 N ATOM 630 CA ASN A 41 -9.686 11.144 -11.337 1.00 0.00 C ATOM 631 C ASN A 41 -9.268 12.203 -12.352 1.00 0.00 C ATOM 632 O ASN A 41 -8.846 11.883 -13.460 1.00 0.00 O ATOM 633 CB ASN A 41 -8.531 10.165 -11.054 1.00 0.00 C ATOM 634 CG ASN A 41 -8.233 9.227 -12.214 1.00 0.00 C ATOM 635 OD1 ASN A 41 -7.398 9.516 -13.070 1.00 0.00 O ATOM 636 ND2 ASN A 41 -8.905 8.085 -12.243 1.00 0.00 N ATOM 0 H ASN A 41 -10.703 9.810 -12.592 1.00 0.00 H new ATOM 0 HA ASN A 41 -9.934 11.648 -10.403 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.632 10.734 -10.817 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.775 9.573 -10.172 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -8.737 7.413 -12.992 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.590 7.878 -11.517 1.00 0.00 H new ATOM 643 N PRO A 42 -9.413 13.489 -11.996 1.00 0.00 N ATOM 644 CA PRO A 42 -9.037 14.599 -12.868 1.00 0.00 C ATOM 645 C PRO A 42 -7.534 14.867 -12.840 1.00 0.00 C ATOM 646 O PRO A 42 -6.816 14.542 -13.783 1.00 0.00 O ATOM 647 CB PRO A 42 -9.808 15.800 -12.292 1.00 0.00 C ATOM 648 CG PRO A 42 -10.608 15.273 -11.140 1.00 0.00 C ATOM 649 CD PRO A 42 -9.977 13.972 -10.734 1.00 0.00 C ATOM 0 HA PRO A 42 -9.275 14.392 -13.911 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.122 16.581 -11.964 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -10.458 16.243 -13.047 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.604 15.980 -10.311 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.649 15.125 -11.428 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.209 14.113 -9.973 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.709 13.276 -10.323 1.00 0.00 H new ATOM 657 N SER A 43 -7.069 15.448 -11.744 1.00 0.00 N ATOM 658 CA SER A 43 -5.660 15.766 -11.573 1.00 0.00 C ATOM 659 C SER A 43 -4.998 14.789 -10.607 1.00 0.00 C ATOM 660 O SER A 43 -3.833 14.945 -10.241 1.00 0.00 O ATOM 661 CB SER A 43 -5.540 17.195 -11.052 1.00 0.00 C ATOM 662 OG SER A 43 -6.518 17.438 -10.053 1.00 0.00 O ATOM 0 H SER A 43 -7.655 15.711 -10.952 1.00 0.00 H new ATOM 0 HA SER A 43 -5.150 15.679 -12.532 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.543 17.357 -10.642 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.666 17.901 -11.873 1.00 0.00 H new ATOM 0 HG SER A 43 -6.430 18.357 -9.725 1.00 0.00 H new ATOM 668 N ILE A 44 -5.750 13.778 -10.203 1.00 0.00 N ATOM 669 CA ILE A 44 -5.274 12.812 -9.224 1.00 0.00 C ATOM 670 C ILE A 44 -4.454 11.723 -9.905 1.00 0.00 C ATOM 671 O ILE A 44 -4.916 11.090 -10.857 1.00 0.00 O ATOM 672 CB ILE A 44 -6.455 12.179 -8.461 1.00 0.00 C ATOM 673 CG1 ILE A 44 -7.354 13.273 -7.878 1.00 0.00 C ATOM 674 CG2 ILE A 44 -5.945 11.265 -7.357 1.00 0.00 C ATOM 675 CD1 ILE A 44 -8.590 12.744 -7.189 1.00 0.00 C ATOM 0 H ILE A 44 -6.697 13.604 -10.539 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.640 13.339 -8.511 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.041 11.581 -9.159 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.777 13.863 -7.166 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.657 13.947 -8.679 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.791 10.826 -6.828 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.338 10.471 -7.793 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.340 11.842 -6.658 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -9.176 13.578 -6.802 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -9.190 12.179 -7.902 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.297 12.093 -6.365 1.00 0.00 H new ATOM 687 N ASN A 45 -3.240 11.511 -9.423 1.00 0.00 N ATOM 688 CA ASN A 45 -2.335 10.546 -10.038 1.00 0.00 C ATOM 689 C ASN A 45 -2.040 9.386 -9.097 1.00 0.00 C ATOM 690 O ASN A 45 -2.088 9.536 -7.877 1.00 0.00 O ATOM 691 CB ASN A 45 -1.027 11.226 -10.445 1.00 0.00 C ATOM 692 CG ASN A 45 -1.191 12.169 -11.622 1.00 0.00 C ATOM 693 OD1 ASN A 45 -1.022 11.775 -12.775 1.00 0.00 O ATOM 694 ND2 ASN A 45 -1.518 13.420 -11.343 1.00 0.00 N ATOM 0 H ASN A 45 -2.856 11.992 -8.609 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.827 10.151 -10.926 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.632 11.781 -9.594 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.290 10.463 -10.697 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.639 14.096 -12.097 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.650 13.709 -10.374 1.00 0.00 H new ATOM 701 N VAL A 46 -1.716 8.233 -9.669 1.00 0.00 N ATOM 702 CA VAL A 46 -1.406 7.050 -8.873 1.00 0.00 C ATOM 703 C VAL A 46 0.050 7.070 -8.423 1.00 0.00 C ATOM 704 O VAL A 46 0.470 6.254 -7.606 1.00 0.00 O ATOM 705 CB VAL A 46 -1.696 5.739 -9.637 1.00 0.00 C ATOM 706 CG1 VAL A 46 -3.169 5.649 -10.004 1.00 0.00 C ATOM 707 CG2 VAL A 46 -0.828 5.627 -10.880 1.00 0.00 C ATOM 0 H VAL A 46 -1.661 8.091 -10.678 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.057 7.079 -7.999 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.451 4.905 -8.979 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.354 4.719 -10.542 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.772 5.670 -9.096 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.438 6.494 -10.638 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.053 4.695 -11.398 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.031 6.469 -11.542 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.223 5.637 -10.592 1.00 0.00 H new ATOM 717 N ASN A 47 0.818 8.006 -8.974 1.00 0.00 N ATOM 718 CA ASN A 47 2.189 8.233 -8.527 1.00 0.00 C ATOM 719 C ASN A 47 2.178 9.332 -7.473 1.00 0.00 C ATOM 720 O ASN A 47 3.200 9.663 -6.869 1.00 0.00 O ATOM 721 CB ASN A 47 3.095 8.648 -9.694 1.00 0.00 C ATOM 722 CG ASN A 47 2.968 7.738 -10.901 1.00 0.00 C ATOM 723 OD1 ASN A 47 3.627 6.702 -10.990 1.00 0.00 O ATOM 724 ND2 ASN A 47 2.132 8.134 -11.854 1.00 0.00 N ATOM 0 H ASN A 47 0.514 8.619 -9.730 1.00 0.00 H new ATOM 0 HA ASN A 47 2.584 7.306 -8.112 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.852 9.669 -9.989 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.132 8.652 -9.357 1.00 0.00 H new ATOM 0 HD21 ASN A 47 2.018 7.573 -12.698 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.604 8.999 -11.742 1.00 0.00 H new ATOM 731 N GLU A 48 0.993 9.890 -7.276 1.00 0.00 N ATOM 732 CA GLU A 48 0.776 10.968 -6.331 1.00 0.00 C ATOM 733 C GLU A 48 0.209 10.405 -5.031 1.00 0.00 C ATOM 734 O GLU A 48 0.551 10.861 -3.941 1.00 0.00 O ATOM 735 CB GLU A 48 -0.186 11.980 -6.953 1.00 0.00 C ATOM 736 CG GLU A 48 -0.608 13.109 -6.034 1.00 0.00 C ATOM 737 CD GLU A 48 -1.606 14.028 -6.705 1.00 0.00 C ATOM 738 OE1 GLU A 48 -2.599 13.519 -7.267 1.00 0.00 O ATOM 739 OE2 GLU A 48 -1.404 15.259 -6.675 1.00 0.00 O ATOM 0 H GLU A 48 0.150 9.603 -7.773 1.00 0.00 H new ATOM 0 HA GLU A 48 1.718 11.466 -6.102 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.283 12.408 -7.839 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.078 11.452 -7.289 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.046 12.695 -5.126 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.269 13.681 -5.733 1.00 0.00 H new ATOM 746 N LEU A 49 -0.653 9.407 -5.165 1.00 0.00 N ATOM 747 CA LEU A 49 -1.236 8.724 -4.016 1.00 0.00 C ATOM 748 C LEU A 49 -0.333 7.572 -3.592 1.00 0.00 C ATOM 749 O LEU A 49 0.279 6.920 -4.436 1.00 0.00 O ATOM 750 CB LEU A 49 -2.616 8.183 -4.380 1.00 0.00 C ATOM 751 CG LEU A 49 -3.571 9.196 -5.003 1.00 0.00 C ATOM 752 CD1 LEU A 49 -4.747 8.475 -5.641 1.00 0.00 C ATOM 753 CD2 LEU A 49 -4.051 10.192 -3.960 1.00 0.00 C ATOM 0 H LEU A 49 -0.967 9.049 -6.067 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.333 9.431 -3.192 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.491 7.352 -5.074 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.078 7.779 -3.480 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.040 9.750 -5.777 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.425 9.205 -6.084 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.383 7.801 -6.416 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.278 7.901 -4.881 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.731 10.906 -4.425 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.571 9.661 -3.162 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.195 10.724 -3.544 1.00 0.00 H new ATOM 765 N PHE A 50 -0.249 7.317 -2.293 1.00 0.00 N ATOM 766 CA PHE A 50 0.625 6.264 -1.797 1.00 0.00 C ATOM 767 C PHE A 50 -0.045 5.407 -0.732 1.00 0.00 C ATOM 768 O PHE A 50 -1.017 5.813 -0.091 1.00 0.00 O ATOM 769 CB PHE A 50 1.920 6.855 -1.225 1.00 0.00 C ATOM 770 CG PHE A 50 2.850 7.410 -2.265 1.00 0.00 C ATOM 771 CD1 PHE A 50 3.585 6.562 -3.076 1.00 0.00 C ATOM 772 CD2 PHE A 50 2.988 8.777 -2.430 1.00 0.00 C ATOM 773 CE1 PHE A 50 4.443 7.067 -4.033 1.00 0.00 C ATOM 774 CE2 PHE A 50 3.843 9.289 -3.385 1.00 0.00 C ATOM 775 CZ PHE A 50 4.572 8.433 -4.188 1.00 0.00 C ATOM 0 H PHE A 50 -0.768 7.818 -1.572 1.00 0.00 H new ATOM 0 HA PHE A 50 0.854 5.627 -2.651 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.666 7.647 -0.520 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.442 6.082 -0.661 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.486 5.493 -2.959 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.421 9.451 -1.805 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.012 6.395 -4.659 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.942 10.358 -3.504 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.242 8.832 -4.936 1.00 0.00 H new ATOM 785 N ALA A 51 0.484 4.203 -0.577 1.00 0.00 N ATOM 786 CA ALA A 51 0.120 3.329 0.519 1.00 0.00 C ATOM 787 C ALA A 51 1.272 3.276 1.514 1.00 0.00 C ATOM 788 O ALA A 51 2.431 3.171 1.121 1.00 0.00 O ATOM 789 CB ALA A 51 -0.216 1.939 0.002 1.00 0.00 C ATOM 0 H ALA A 51 1.179 3.807 -1.211 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.767 3.718 1.019 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.487 1.295 0.839 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.053 2.002 -0.694 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.651 1.522 -0.510 1.00 0.00 H new ATOM 795 N TYR A 52 0.958 3.370 2.789 1.00 0.00 N ATOM 796 CA TYR A 52 1.979 3.461 3.820 1.00 0.00 C ATOM 797 C TYR A 52 1.995 2.208 4.685 1.00 0.00 C ATOM 798 O TYR A 52 0.974 1.548 4.860 1.00 0.00 O ATOM 799 CB TYR A 52 1.722 4.682 4.711 1.00 0.00 C ATOM 800 CG TYR A 52 1.792 6.014 3.991 1.00 0.00 C ATOM 801 CD1 TYR A 52 0.789 6.412 3.114 1.00 0.00 C ATOM 802 CD2 TYR A 52 2.861 6.872 4.193 1.00 0.00 C ATOM 803 CE1 TYR A 52 0.853 7.628 2.462 1.00 0.00 C ATOM 804 CE2 TYR A 52 2.930 8.091 3.547 1.00 0.00 C ATOM 805 CZ TYR A 52 1.925 8.464 2.683 1.00 0.00 C ATOM 806 OH TYR A 52 1.996 9.676 2.034 1.00 0.00 O ATOM 0 H TYR A 52 0.001 3.386 3.141 1.00 0.00 H new ATOM 0 HA TYR A 52 2.945 3.561 3.325 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.737 4.582 5.167 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.450 4.683 5.522 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.054 5.760 2.940 1.00 0.00 H new ATOM 0 HD2 TYR A 52 3.654 6.583 4.867 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.067 7.922 1.783 1.00 0.00 H new ATOM 0 HE2 TYR A 52 3.769 8.749 3.719 1.00 0.00 H new ATOM 0 HH TYR A 52 1.146 10.153 2.138 1.00 0.00 H new ATOM 816 N VAL A 53 3.161 1.875 5.207 1.00 0.00 N ATOM 817 CA VAL A 53 3.273 0.854 6.236 1.00 0.00 C ATOM 818 C VAL A 53 3.924 1.443 7.478 1.00 0.00 C ATOM 819 O VAL A 53 5.062 1.919 7.431 1.00 0.00 O ATOM 820 CB VAL A 53 4.059 -0.393 5.766 1.00 0.00 C ATOM 821 CG1 VAL A 53 3.186 -1.278 4.891 1.00 0.00 C ATOM 822 CG2 VAL A 53 5.327 0.000 5.020 1.00 0.00 C ATOM 0 H VAL A 53 4.048 2.298 4.935 1.00 0.00 H new ATOM 0 HA VAL A 53 2.261 0.520 6.466 1.00 0.00 H new ATOM 0 HB VAL A 53 4.350 -0.955 6.654 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.757 -2.149 4.571 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.314 -1.604 5.458 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.860 -0.716 4.016 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.856 -0.899 4.703 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.065 0.594 4.145 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.969 0.586 5.677 1.00 0.00 H new ATOM 832 N ASP A 54 3.190 1.437 8.580 1.00 0.00 N ATOM 833 CA ASP A 54 3.684 2.016 9.821 1.00 0.00 C ATOM 834 C ASP A 54 4.552 1.013 10.559 1.00 0.00 C ATOM 835 O ASP A 54 4.053 0.046 11.136 1.00 0.00 O ATOM 836 CB ASP A 54 2.527 2.474 10.714 1.00 0.00 C ATOM 837 CG ASP A 54 3.009 3.098 12.013 1.00 0.00 C ATOM 838 OD1 ASP A 54 4.142 3.615 12.041 1.00 0.00 O ATOM 839 OD2 ASP A 54 2.251 3.081 13.009 1.00 0.00 O ATOM 0 H ASP A 54 2.253 1.039 8.641 1.00 0.00 H new ATOM 0 HA ASP A 54 4.286 2.890 9.572 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.917 3.196 10.172 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.886 1.621 10.940 1.00 0.00 H new ATOM 844 N LEU A 55 5.855 1.237 10.524 1.00 0.00 N ATOM 845 CA LEU A 55 6.791 0.343 11.181 1.00 0.00 C ATOM 846 C LEU A 55 7.261 0.936 12.502 1.00 0.00 C ATOM 847 O LEU A 55 8.255 0.488 13.076 1.00 0.00 O ATOM 848 CB LEU A 55 7.984 0.041 10.267 1.00 0.00 C ATOM 849 CG LEU A 55 7.631 -0.651 8.945 1.00 0.00 C ATOM 850 CD1 LEU A 55 8.889 -1.044 8.191 1.00 0.00 C ATOM 851 CD2 LEU A 55 6.758 -1.872 9.191 1.00 0.00 C ATOM 0 H LEU A 55 6.287 2.029 10.048 1.00 0.00 H new ATOM 0 HA LEU A 55 6.278 -0.595 11.391 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.497 0.976 10.044 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.689 -0.587 10.811 1.00 0.00 H new ATOM 0 HG LEU A 55 7.069 0.056 8.334 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.615 -1.533 7.256 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.477 -0.152 7.975 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.479 -1.729 8.800 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.520 -2.347 8.239 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.292 -2.579 9.826 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.835 -1.566 9.685 1.00 0.00 H new ATOM 863 N SER A 56 6.540 1.944 12.979 1.00 0.00 N ATOM 864 CA SER A 56 6.795 2.511 14.293 1.00 0.00 C ATOM 865 C SER A 56 6.326 1.519 15.356 1.00 0.00 C ATOM 866 O SER A 56 5.136 1.447 15.675 1.00 0.00 O ATOM 867 CB SER A 56 6.067 3.852 14.439 1.00 0.00 C ATOM 868 OG SER A 56 6.479 4.556 15.598 1.00 0.00 O ATOM 0 H SER A 56 5.773 2.385 12.472 1.00 0.00 H new ATOM 0 HA SER A 56 7.862 2.694 14.419 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.255 4.464 13.557 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.992 3.678 14.483 1.00 0.00 H new ATOM 0 HG SER A 56 5.994 5.405 15.655 1.00 0.00 H new ATOM 874 N GLY A 57 7.257 0.731 15.871 1.00 0.00 N ATOM 875 CA GLY A 57 6.901 -0.353 16.760 1.00 0.00 C ATOM 876 C GLY A 57 6.849 -1.670 16.014 1.00 0.00 C ATOM 877 O GLY A 57 5.858 -2.397 16.076 1.00 0.00 O ATOM 0 H GLY A 57 8.256 0.824 15.688 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.628 -0.418 17.570 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.932 -0.151 17.217 1.00 0.00 H new ATOM 881 N SER A 58 7.917 -1.960 15.289 1.00 0.00 N ATOM 882 CA SER A 58 8.002 -3.167 14.481 1.00 0.00 C ATOM 883 C SER A 58 8.934 -4.188 15.127 1.00 0.00 C ATOM 884 O SER A 58 9.734 -3.846 16.003 1.00 0.00 O ATOM 885 CB SER A 58 8.493 -2.810 13.077 1.00 0.00 C ATOM 886 OG SER A 58 9.596 -1.919 13.135 1.00 0.00 O ATOM 0 H SER A 58 8.747 -1.368 15.243 1.00 0.00 H new ATOM 0 HA SER A 58 7.010 -3.614 14.412 1.00 0.00 H new ATOM 0 HB2 SER A 58 8.782 -3.718 12.547 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.682 -2.354 12.509 1.00 0.00 H new ATOM 0 HG SER A 58 9.271 -0.995 13.120 1.00 0.00 H new ATOM 892 N GLU A 59 8.824 -5.440 14.702 1.00 0.00 N ATOM 893 CA GLU A 59 9.657 -6.505 15.239 1.00 0.00 C ATOM 894 C GLU A 59 10.473 -7.138 14.120 1.00 0.00 C ATOM 895 O GLU A 59 9.929 -7.461 13.061 1.00 0.00 O ATOM 896 CB GLU A 59 8.813 -7.594 15.915 1.00 0.00 C ATOM 897 CG GLU A 59 7.601 -7.079 16.673 1.00 0.00 C ATOM 898 CD GLU A 59 6.334 -7.117 15.839 1.00 0.00 C ATOM 899 OE1 GLU A 59 5.636 -8.150 15.866 1.00 0.00 O ATOM 900 OE2 GLU A 59 6.026 -6.117 15.158 1.00 0.00 O ATOM 0 H GLU A 59 8.164 -5.742 13.985 1.00 0.00 H new ATOM 0 HA GLU A 59 10.317 -6.063 15.985 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.476 -8.298 15.154 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.447 -8.150 16.606 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.458 -7.678 17.573 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.788 -6.055 16.998 1.00 0.00 H new ATOM 907 N PRO A 60 11.781 -7.330 14.342 1.00 0.00 N ATOM 908 CA PRO A 60 12.669 -7.958 13.359 1.00 0.00 C ATOM 909 C PRO A 60 12.180 -9.345 12.945 1.00 0.00 C ATOM 910 O PRO A 60 11.574 -10.066 13.744 1.00 0.00 O ATOM 911 CB PRO A 60 14.008 -8.061 14.093 1.00 0.00 C ATOM 912 CG PRO A 60 13.942 -7.029 15.164 1.00 0.00 C ATOM 913 CD PRO A 60 12.499 -6.950 15.571 1.00 0.00 C ATOM 0 HA PRO A 60 12.723 -7.383 12.435 1.00 0.00 H new ATOM 0 HB2 PRO A 60 14.152 -9.057 14.513 1.00 0.00 H new ATOM 0 HB3 PRO A 60 14.843 -7.876 13.418 1.00 0.00 H new ATOM 0 HG2 PRO A 60 14.572 -7.303 16.010 1.00 0.00 H new ATOM 0 HG3 PRO A 60 14.299 -6.065 14.800 1.00 0.00 H new ATOM 0 HD2 PRO A 60 12.275 -7.629 16.394 1.00 0.00 H new ATOM 0 HD3 PRO A 60 12.228 -5.947 15.902 1.00 0.00 H new ATOM 921 N GLY A 61 12.443 -9.709 11.702 1.00 0.00 N ATOM 922 CA GLY A 61 11.975 -10.974 11.184 1.00 0.00 C ATOM 923 C GLY A 61 10.825 -10.787 10.223 1.00 0.00 C ATOM 924 O GLY A 61 10.504 -9.661 9.840 1.00 0.00 O ATOM 0 H GLY A 61 12.976 -9.147 11.039 1.00 0.00 H new ATOM 0 HA2 GLY A 61 12.793 -11.487 10.678 1.00 0.00 H new ATOM 0 HA3 GLY A 61 11.661 -11.613 12.010 1.00 0.00 H new ATOM 928 N GLU A 62 10.202 -11.882 9.832 1.00 0.00 N ATOM 929 CA GLU A 62 9.068 -11.835 8.927 1.00 0.00 C ATOM 930 C GLU A 62 7.790 -11.583 9.709 1.00 0.00 C ATOM 931 O GLU A 62 7.361 -12.425 10.499 1.00 0.00 O ATOM 932 CB GLU A 62 8.962 -13.148 8.153 1.00 0.00 C ATOM 933 CG GLU A 62 10.173 -13.435 7.281 1.00 0.00 C ATOM 934 CD GLU A 62 10.178 -14.844 6.736 1.00 0.00 C ATOM 935 OE1 GLU A 62 9.329 -15.161 5.875 1.00 0.00 O ATOM 936 OE2 GLU A 62 11.035 -15.648 7.163 1.00 0.00 O ATOM 0 H GLU A 62 10.464 -12.822 10.129 1.00 0.00 H new ATOM 0 HA GLU A 62 9.213 -11.020 8.218 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.830 -13.968 8.859 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.071 -13.121 7.526 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.194 -12.729 6.451 1.00 0.00 H new ATOM 0 HG3 GLU A 62 11.081 -13.271 7.862 1.00 0.00 H new ATOM 943 N HIS A 63 7.200 -10.416 9.518 1.00 0.00 N ATOM 944 CA HIS A 63 5.967 -10.071 10.207 1.00 0.00 C ATOM 945 C HIS A 63 4.990 -9.397 9.264 1.00 0.00 C ATOM 946 O HIS A 63 5.385 -8.662 8.362 1.00 0.00 O ATOM 947 CB HIS A 63 6.247 -9.174 11.415 1.00 0.00 C ATOM 948 CG HIS A 63 6.798 -9.921 12.586 1.00 0.00 C ATOM 949 ND1 HIS A 63 8.047 -9.687 13.122 1.00 0.00 N ATOM 950 CD2 HIS A 63 6.255 -10.915 13.322 1.00 0.00 C ATOM 951 CE1 HIS A 63 8.246 -10.513 14.134 1.00 0.00 C ATOM 952 NE2 HIS A 63 7.171 -11.267 14.277 1.00 0.00 N ATOM 0 H HIS A 63 7.553 -9.692 8.893 1.00 0.00 H new ATOM 0 HA HIS A 63 5.516 -10.997 10.565 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.951 -8.394 11.125 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.324 -8.676 11.711 1.00 0.00 H new ATOM 0 HD1 HIS A 63 8.711 -8.988 12.790 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.277 -11.352 13.183 1.00 0.00 H new ATOM 0 HE1 HIS A 63 9.137 -10.563 14.742 1.00 0.00 H new ATOM 961 N ASP A 64 3.715 -9.666 9.473 1.00 0.00 N ATOM 962 CA ASP A 64 2.667 -9.084 8.651 1.00 0.00 C ATOM 963 C ASP A 64 2.281 -7.714 9.179 1.00 0.00 C ATOM 964 O ASP A 64 1.948 -7.565 10.354 1.00 0.00 O ATOM 965 CB ASP A 64 1.432 -9.986 8.630 1.00 0.00 C ATOM 966 CG ASP A 64 1.651 -11.273 7.867 1.00 0.00 C ATOM 967 OD1 ASP A 64 1.479 -11.271 6.631 1.00 0.00 O ATOM 968 OD2 ASP A 64 1.984 -12.295 8.505 1.00 0.00 O ATOM 0 H ASP A 64 3.377 -10.287 10.208 1.00 0.00 H new ATOM 0 HA ASP A 64 3.051 -8.985 7.636 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.144 -10.222 9.654 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.600 -9.442 8.183 1.00 0.00 H new ATOM 973 N TYR A 65 2.333 -6.720 8.311 1.00 0.00 N ATOM 974 CA TYR A 65 1.962 -5.365 8.682 1.00 0.00 C ATOM 975 C TYR A 65 0.835 -4.870 7.791 1.00 0.00 C ATOM 976 O TYR A 65 0.699 -5.304 6.646 1.00 0.00 O ATOM 977 CB TYR A 65 3.174 -4.432 8.616 1.00 0.00 C ATOM 978 CG TYR A 65 4.187 -4.723 9.700 1.00 0.00 C ATOM 979 CD1 TYR A 65 4.066 -4.147 10.957 1.00 0.00 C ATOM 980 CD2 TYR A 65 5.245 -5.596 9.479 1.00 0.00 C ATOM 981 CE1 TYR A 65 4.967 -4.433 11.964 1.00 0.00 C ATOM 982 CE2 TYR A 65 6.154 -5.882 10.479 1.00 0.00 C ATOM 983 CZ TYR A 65 6.009 -5.301 11.719 1.00 0.00 C ATOM 984 OH TYR A 65 6.903 -5.598 12.723 1.00 0.00 O ATOM 0 H TYR A 65 2.630 -6.826 7.341 1.00 0.00 H new ATOM 0 HA TYR A 65 1.606 -5.368 9.712 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.651 -4.530 7.641 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.839 -3.399 8.704 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.253 -3.463 11.151 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.359 -6.058 8.510 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.856 -3.979 12.938 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.975 -6.558 10.289 1.00 0.00 H new ATOM 0 HH TYR A 65 6.428 -6.021 13.469 1.00 0.00 H new ATOM 994 N GLU A 66 0.027 -3.970 8.321 1.00 0.00 N ATOM 995 CA GLU A 66 -1.198 -3.566 7.653 1.00 0.00 C ATOM 996 C GLU A 66 -0.946 -2.380 6.733 1.00 0.00 C ATOM 997 O GLU A 66 -0.156 -1.490 7.052 1.00 0.00 O ATOM 998 CB GLU A 66 -2.265 -3.229 8.695 1.00 0.00 C ATOM 999 CG GLU A 66 -3.667 -3.101 8.127 1.00 0.00 C ATOM 1000 CD GLU A 66 -4.706 -2.916 9.209 1.00 0.00 C ATOM 1001 OE1 GLU A 66 -5.130 -3.924 9.813 1.00 0.00 O ATOM 1002 OE2 GLU A 66 -5.100 -1.763 9.469 1.00 0.00 O ATOM 0 H GLU A 66 0.197 -3.504 9.213 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.554 -4.392 7.038 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.265 -4.003 9.463 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.996 -2.293 9.185 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.704 -2.254 7.442 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.905 -3.992 7.546 1.00 0.00 H new ATOM 1009 N VAL A 67 -1.619 -2.378 5.592 1.00 0.00 N ATOM 1010 CA VAL A 67 -1.452 -1.328 4.602 1.00 0.00 C ATOM 1011 C VAL A 67 -2.311 -0.116 4.943 1.00 0.00 C ATOM 1012 O VAL A 67 -3.530 -0.218 5.069 1.00 0.00 O ATOM 1013 CB VAL A 67 -1.810 -1.829 3.186 1.00 0.00 C ATOM 1014 CG1 VAL A 67 -1.643 -0.720 2.157 1.00 0.00 C ATOM 1015 CG2 VAL A 67 -0.959 -3.035 2.816 1.00 0.00 C ATOM 0 H VAL A 67 -2.291 -3.099 5.329 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.402 -1.037 4.616 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.857 -2.132 3.189 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.901 -1.099 1.168 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.300 0.113 2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.608 -0.378 2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.225 -3.375 1.815 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.095 -2.757 2.837 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.136 -3.839 3.531 1.00 0.00 H new ATOM 1025 N LYS A 68 -1.656 1.021 5.100 1.00 0.00 N ATOM 1026 CA LYS A 68 -2.328 2.278 5.384 1.00 0.00 C ATOM 1027 C LYS A 68 -2.553 3.036 4.080 1.00 0.00 C ATOM 1028 O LYS A 68 -1.601 3.475 3.444 1.00 0.00 O ATOM 1029 CB LYS A 68 -1.464 3.109 6.334 1.00 0.00 C ATOM 1030 CG LYS A 68 -2.119 4.387 6.823 1.00 0.00 C ATOM 1031 CD LYS A 68 -1.119 5.259 7.563 1.00 0.00 C ATOM 1032 CE LYS A 68 -1.795 6.420 8.271 1.00 0.00 C ATOM 1033 NZ LYS A 68 -2.655 7.218 7.359 1.00 0.00 N ATOM 0 H LYS A 68 -0.641 1.099 5.034 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.292 2.086 5.855 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.202 2.496 7.197 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.532 3.363 5.829 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.531 4.937 5.976 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.953 4.144 7.481 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.579 4.654 8.292 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.381 5.643 6.859 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.399 6.038 9.094 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.035 7.068 8.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.957 8.089 7.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.118 7.464 6.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.492 6.660 7.095 1.00 0.00 H new ATOM 1047 N VAL A 69 -3.801 3.184 3.677 1.00 0.00 N ATOM 1048 CA VAL A 69 -4.105 3.816 2.403 1.00 0.00 C ATOM 1049 C VAL A 69 -4.336 5.310 2.585 1.00 0.00 C ATOM 1050 O VAL A 69 -5.132 5.725 3.426 1.00 0.00 O ATOM 1051 CB VAL A 69 -5.347 3.183 1.739 1.00 0.00 C ATOM 1052 CG1 VAL A 69 -5.602 3.799 0.370 1.00 0.00 C ATOM 1053 CG2 VAL A 69 -5.182 1.675 1.625 1.00 0.00 C ATOM 0 H VAL A 69 -4.617 2.878 4.208 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.245 3.659 1.752 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.212 3.388 2.370 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.482 3.337 -0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.770 4.870 0.479 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.737 3.631 -0.272 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.067 1.247 1.155 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.304 1.450 1.019 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.056 1.247 2.619 1.00 0.00 H new ATOM 1063 N GLU A 70 -3.619 6.114 1.809 1.00 0.00 N ATOM 1064 CA GLU A 70 -3.791 7.556 1.842 1.00 0.00 C ATOM 1065 C GLU A 70 -5.117 7.939 1.185 1.00 0.00 C ATOM 1066 O GLU A 70 -5.370 7.588 0.032 1.00 0.00 O ATOM 1067 CB GLU A 70 -2.615 8.237 1.141 1.00 0.00 C ATOM 1068 CG GLU A 70 -2.611 9.750 1.261 1.00 0.00 C ATOM 1069 CD GLU A 70 -1.313 10.356 0.774 1.00 0.00 C ATOM 1070 OE1 GLU A 70 -1.156 10.527 -0.451 1.00 0.00 O ATOM 1071 OE2 GLU A 70 -0.439 10.655 1.616 1.00 0.00 O ATOM 0 H GLU A 70 -2.913 5.788 1.149 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.814 7.894 2.878 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.685 7.848 1.556 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.630 7.967 0.085 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.441 10.161 0.686 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.774 10.031 2.301 1.00 0.00 H new ATOM 1078 N PRO A 71 -5.986 8.644 1.931 1.00 0.00 N ATOM 1079 CA PRO A 71 -7.326 9.018 1.463 1.00 0.00 C ATOM 1080 C PRO A 71 -7.305 9.799 0.153 1.00 0.00 C ATOM 1081 O PRO A 71 -6.631 10.823 0.035 1.00 0.00 O ATOM 1082 CB PRO A 71 -7.876 9.891 2.595 1.00 0.00 C ATOM 1083 CG PRO A 71 -7.100 9.485 3.798 1.00 0.00 C ATOM 1084 CD PRO A 71 -5.731 9.128 3.299 1.00 0.00 C ATOM 0 HA PRO A 71 -7.931 8.136 1.251 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -7.743 10.951 2.378 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.944 9.726 2.739 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -7.052 10.296 4.525 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.568 8.637 4.297 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.064 9.990 3.303 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -5.265 8.361 3.917 1.00 0.00 H new ATOM 1092 N ILE A 72 -8.050 9.303 -0.823 1.00 0.00 N ATOM 1093 CA ILE A 72 -8.155 9.954 -2.119 1.00 0.00 C ATOM 1094 C ILE A 72 -9.292 10.971 -2.100 1.00 0.00 C ATOM 1095 O ILE A 72 -10.449 10.608 -1.897 1.00 0.00 O ATOM 1096 CB ILE A 72 -8.413 8.928 -3.244 1.00 0.00 C ATOM 1097 CG1 ILE A 72 -7.369 7.808 -3.191 1.00 0.00 C ATOM 1098 CG2 ILE A 72 -8.393 9.614 -4.604 1.00 0.00 C ATOM 1099 CD1 ILE A 72 -7.618 6.693 -4.184 1.00 0.00 C ATOM 0 H ILE A 72 -8.595 8.445 -0.740 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.208 10.456 -2.317 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.399 8.489 -3.096 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.383 8.234 -3.377 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.350 7.389 -2.185 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.576 8.877 -5.386 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.169 10.379 -4.637 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.419 10.078 -4.763 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.838 5.938 -4.086 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.589 6.239 -3.986 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.607 7.098 -5.196 1.00 0.00 H new ATOM 1111 N PRO A 73 -8.979 12.259 -2.286 1.00 0.00 N ATOM 1112 CA PRO A 73 -9.988 13.319 -2.274 1.00 0.00 C ATOM 1113 C PRO A 73 -10.923 13.251 -3.479 1.00 0.00 C ATOM 1114 O PRO A 73 -10.487 12.985 -4.600 1.00 0.00 O ATOM 1115 CB PRO A 73 -9.159 14.605 -2.312 1.00 0.00 C ATOM 1116 CG PRO A 73 -7.863 14.209 -2.930 1.00 0.00 C ATOM 1117 CD PRO A 73 -7.622 12.784 -2.517 1.00 0.00 C ATOM 0 HA PRO A 73 -10.642 13.244 -1.405 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.656 15.378 -2.898 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.012 15.010 -1.311 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.906 14.298 -4.016 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.055 14.856 -2.589 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.102 12.224 -3.294 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.010 12.725 -1.617 1.00 0.00 H new ATOM 1125 N ASN A 74 -12.216 13.449 -3.219 1.00 0.00 N ATOM 1126 CA ASN A 74 -13.242 13.552 -4.266 1.00 0.00 C ATOM 1127 C ASN A 74 -13.517 12.208 -4.942 1.00 0.00 C ATOM 1128 O ASN A 74 -14.296 12.132 -5.893 1.00 0.00 O ATOM 1129 CB ASN A 74 -12.858 14.608 -5.315 1.00 0.00 C ATOM 1130 CG ASN A 74 -12.893 16.025 -4.766 1.00 0.00 C ATOM 1131 OD1 ASN A 74 -12.682 16.253 -3.575 1.00 0.00 O ATOM 1132 ND2 ASN A 74 -13.158 16.990 -5.632 1.00 0.00 N ATOM 0 H ASN A 74 -12.586 13.543 -2.273 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.162 13.866 -3.773 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -11.857 14.393 -5.690 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.539 14.535 -6.163 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.192 17.960 -5.320 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -13.328 16.763 -6.612 1.00 0.00 H new ATOM 1139 N ILE A 75 -12.886 11.151 -4.451 1.00 0.00 N ATOM 1140 CA ILE A 75 -13.115 9.807 -4.971 1.00 0.00 C ATOM 1141 C ILE A 75 -13.347 8.845 -3.815 1.00 0.00 C ATOM 1142 O ILE A 75 -12.639 8.898 -2.815 1.00 0.00 O ATOM 1143 CB ILE A 75 -11.917 9.301 -5.813 1.00 0.00 C ATOM 1144 CG1 ILE A 75 -11.646 10.239 -6.992 1.00 0.00 C ATOM 1145 CG2 ILE A 75 -12.173 7.885 -6.312 1.00 0.00 C ATOM 1146 CD1 ILE A 75 -10.496 9.794 -7.868 1.00 0.00 C ATOM 0 H ILE A 75 -12.208 11.197 -3.690 1.00 0.00 H new ATOM 0 HA ILE A 75 -13.992 9.850 -5.617 1.00 0.00 H new ATOM 0 HB ILE A 75 -11.035 9.290 -5.173 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -12.547 10.314 -7.600 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -11.435 11.238 -6.610 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -11.321 7.547 -6.901 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -12.312 7.219 -5.461 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -13.070 7.874 -6.932 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -10.362 10.506 -8.682 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.583 9.746 -7.274 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.713 8.808 -8.280 1.00 0.00 H new ATOM 1158 N LYS A 76 -14.334 7.973 -3.938 1.00 0.00 N ATOM 1159 CA LYS A 76 -14.613 7.011 -2.884 1.00 0.00 C ATOM 1160 C LYS A 76 -13.827 5.728 -3.114 1.00 0.00 C ATOM 1161 O LYS A 76 -13.947 5.103 -4.167 1.00 0.00 O ATOM 1162 CB LYS A 76 -16.106 6.685 -2.823 1.00 0.00 C ATOM 1163 CG LYS A 76 -16.453 5.679 -1.736 1.00 0.00 C ATOM 1164 CD LYS A 76 -17.861 5.135 -1.899 1.00 0.00 C ATOM 1165 CE LYS A 76 -18.024 4.414 -3.226 1.00 0.00 C ATOM 1166 NZ LYS A 76 -19.370 3.809 -3.369 1.00 0.00 N ATOM 0 H LYS A 76 -14.950 7.911 -4.748 1.00 0.00 H new ATOM 0 HA LYS A 76 -14.310 7.458 -1.937 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.666 7.604 -2.651 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -16.426 6.293 -3.788 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -15.740 4.855 -1.762 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -16.357 6.152 -0.759 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -18.086 4.451 -1.081 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -18.579 5.953 -1.837 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -17.853 5.115 -4.043 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -17.266 3.635 -3.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -19.650 3.818 -4.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -19.348 2.828 -3.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -20.057 4.356 -2.813 1.00 0.00 H new ATOM 1180 N ILE A 77 -13.028 5.334 -2.136 1.00 0.00 N ATOM 1181 CA ILE A 77 -12.300 4.080 -2.229 1.00 0.00 C ATOM 1182 C ILE A 77 -13.232 2.930 -1.865 1.00 0.00 C ATOM 1183 O ILE A 77 -14.058 3.052 -0.960 1.00 0.00 O ATOM 1184 CB ILE A 77 -11.040 4.060 -1.327 1.00 0.00 C ATOM 1185 CG1 ILE A 77 -10.218 2.794 -1.593 1.00 0.00 C ATOM 1186 CG2 ILE A 77 -11.421 4.149 0.144 1.00 0.00 C ATOM 1187 CD1 ILE A 77 -8.910 2.741 -0.833 1.00 0.00 C ATOM 0 H ILE A 77 -12.868 5.859 -1.276 1.00 0.00 H new ATOM 0 HA ILE A 77 -11.952 3.969 -3.256 1.00 0.00 H new ATOM 0 HB ILE A 77 -10.432 4.931 -1.570 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.816 1.922 -1.328 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -10.010 2.726 -2.661 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -10.519 4.133 0.755 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -11.965 5.077 0.324 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -12.053 3.301 0.408 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.386 1.816 -1.074 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.291 3.593 -1.115 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.110 2.776 0.238 1.00 0.00 H new ATOM 1199 N VAL A 78 -13.130 1.837 -2.596 1.00 0.00 N ATOM 1200 CA VAL A 78 -14.009 0.701 -2.388 1.00 0.00 C ATOM 1201 C VAL A 78 -13.260 -0.453 -1.745 1.00 0.00 C ATOM 1202 O VAL A 78 -13.474 -0.777 -0.577 1.00 0.00 O ATOM 1203 CB VAL A 78 -14.616 0.212 -3.719 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -15.631 -0.895 -3.482 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -15.238 1.369 -4.480 1.00 0.00 C ATOM 0 H VAL A 78 -12.445 1.711 -3.341 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.809 1.035 -1.727 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.812 -0.201 -4.328 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -16.043 -1.221 -4.437 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -15.143 -1.737 -2.991 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -16.435 -0.522 -2.848 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -15.661 1.004 -5.416 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -16.027 1.819 -3.877 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.474 2.116 -4.694 1.00 0.00 H new ATOM 1215 N GLU A 79 -12.358 -1.044 -2.509 1.00 0.00 N ATOM 1216 CA GLU A 79 -11.704 -2.270 -2.094 1.00 0.00 C ATOM 1217 C GLU A 79 -10.255 -2.009 -1.714 1.00 0.00 C ATOM 1218 O GLU A 79 -9.572 -1.206 -2.349 1.00 0.00 O ATOM 1219 CB GLU A 79 -11.779 -3.307 -3.219 1.00 0.00 C ATOM 1220 CG GLU A 79 -11.285 -4.685 -2.810 1.00 0.00 C ATOM 1221 CD GLU A 79 -12.024 -5.224 -1.605 1.00 0.00 C ATOM 1222 OE1 GLU A 79 -11.616 -4.911 -0.469 1.00 0.00 O ATOM 1223 OE2 GLU A 79 -13.024 -5.949 -1.792 1.00 0.00 O ATOM 0 H GLU A 79 -12.063 -0.694 -3.420 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.220 -2.658 -1.216 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.811 -3.387 -3.560 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.190 -2.955 -4.066 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.405 -5.375 -3.646 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.219 -4.636 -2.588 1.00 0.00 H new ATOM 1230 N ILE A 80 -9.801 -2.690 -0.675 1.00 0.00 N ATOM 1231 CA ILE A 80 -8.423 -2.593 -0.230 1.00 0.00 C ATOM 1232 C ILE A 80 -7.773 -3.968 -0.297 1.00 0.00 C ATOM 1233 O ILE A 80 -8.131 -4.876 0.454 1.00 0.00 O ATOM 1234 CB ILE A 80 -8.323 -2.040 1.211 1.00 0.00 C ATOM 1235 CG1 ILE A 80 -8.968 -0.651 1.294 1.00 0.00 C ATOM 1236 CG2 ILE A 80 -6.867 -1.982 1.660 1.00 0.00 C ATOM 1237 CD1 ILE A 80 -8.950 -0.048 2.685 1.00 0.00 C ATOM 0 H ILE A 80 -10.376 -3.323 -0.119 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.903 -1.898 -0.889 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.861 -2.712 1.879 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.449 0.021 0.610 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.001 -0.719 0.952 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.815 -1.591 2.676 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.438 -2.984 1.635 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.306 -1.330 0.991 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.424 0.933 2.662 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.494 -0.698 3.370 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.919 0.054 3.024 1.00 0.00 H new ATOM 1249 N SER A 81 -6.847 -4.133 -1.224 1.00 0.00 N ATOM 1250 CA SER A 81 -6.182 -5.408 -1.407 1.00 0.00 C ATOM 1251 C SER A 81 -4.722 -5.209 -1.805 1.00 0.00 C ATOM 1252 O SER A 81 -4.427 -4.526 -2.782 1.00 0.00 O ATOM 1253 CB SER A 81 -6.912 -6.222 -2.476 1.00 0.00 C ATOM 1254 OG SER A 81 -8.274 -6.424 -2.123 1.00 0.00 O ATOM 0 H SER A 81 -6.539 -3.399 -1.862 1.00 0.00 H new ATOM 0 HA SER A 81 -6.205 -5.950 -0.461 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.854 -5.705 -3.434 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.419 -7.186 -2.603 1.00 0.00 H new ATOM 0 HG SER A 81 -8.719 -6.946 -2.823 1.00 0.00 H new ATOM 1260 N PRO A 82 -3.785 -5.784 -1.040 1.00 0.00 N ATOM 1261 CA PRO A 82 -4.092 -6.514 0.186 1.00 0.00 C ATOM 1262 C PRO A 82 -4.199 -5.588 1.395 1.00 0.00 C ATOM 1263 O PRO A 82 -3.679 -4.474 1.381 1.00 0.00 O ATOM 1264 CB PRO A 82 -2.892 -7.445 0.330 1.00 0.00 C ATOM 1265 CG PRO A 82 -1.755 -6.696 -0.278 1.00 0.00 C ATOM 1266 CD PRO A 82 -2.342 -5.781 -1.327 1.00 0.00 C ATOM 0 HA PRO A 82 -5.052 -7.028 0.138 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.697 -7.680 1.376 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.062 -8.392 -0.183 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.222 -6.122 0.480 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.035 -7.382 -0.724 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.924 -4.777 -1.259 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.135 -6.144 -2.334 1.00 0.00 H new ATOM 1274 N ARG A 83 -4.880 -6.047 2.432 1.00 0.00 N ATOM 1275 CA ARG A 83 -5.013 -5.272 3.657 1.00 0.00 C ATOM 1276 C ARG A 83 -3.774 -5.434 4.526 1.00 0.00 C ATOM 1277 O ARG A 83 -3.339 -4.495 5.189 1.00 0.00 O ATOM 1278 CB ARG A 83 -6.256 -5.711 4.431 1.00 0.00 C ATOM 1279 CG ARG A 83 -7.560 -5.381 3.725 1.00 0.00 C ATOM 1280 CD ARG A 83 -8.730 -6.113 4.351 1.00 0.00 C ATOM 1281 NE ARG A 83 -8.607 -7.561 4.195 1.00 0.00 N ATOM 1282 CZ ARG A 83 -9.390 -8.447 4.805 1.00 0.00 C ATOM 1283 NH1 ARG A 83 -10.345 -8.037 5.634 1.00 0.00 N ATOM 1284 NH2 ARG A 83 -9.215 -9.744 4.584 1.00 0.00 N ATOM 0 H ARG A 83 -5.350 -6.952 2.451 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.118 -4.221 3.389 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.207 -6.787 4.601 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.252 -5.233 5.410 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.737 -4.306 3.768 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.483 -5.649 2.671 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.790 -5.865 5.411 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.659 -5.775 3.892 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.875 -7.915 3.580 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -10.479 -7.040 5.804 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.943 -8.719 6.100 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.482 -10.059 3.948 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.813 -10.426 5.050 1.00 0.00 H new ATOM 1298 N VAL A 84 -3.202 -6.630 4.510 1.00 0.00 N ATOM 1299 CA VAL A 84 -2.025 -6.925 5.314 1.00 0.00 C ATOM 1300 C VAL A 84 -0.946 -7.586 4.458 1.00 0.00 C ATOM 1301 O VAL A 84 -1.220 -8.544 3.732 1.00 0.00 O ATOM 1302 CB VAL A 84 -2.376 -7.848 6.504 1.00 0.00 C ATOM 1303 CG1 VAL A 84 -1.142 -8.161 7.326 1.00 0.00 C ATOM 1304 CG2 VAL A 84 -3.446 -7.218 7.380 1.00 0.00 C ATOM 0 H VAL A 84 -3.535 -7.413 3.948 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.649 -5.980 5.706 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.767 -8.781 6.099 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.414 -8.812 8.157 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.405 -8.662 6.699 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.719 -7.235 7.714 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.676 -7.886 8.210 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.084 -6.266 7.769 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.347 -7.049 6.790 1.00 0.00 H new ATOM 1314 N VAL A 85 0.274 -7.073 4.545 1.00 0.00 N ATOM 1315 CA VAL A 85 1.386 -7.607 3.769 1.00 0.00 C ATOM 1316 C VAL A 85 2.470 -8.175 4.679 1.00 0.00 C ATOM 1317 O VAL A 85 2.757 -7.628 5.745 1.00 0.00 O ATOM 1318 CB VAL A 85 2.011 -6.537 2.844 1.00 0.00 C ATOM 1319 CG1 VAL A 85 1.022 -6.106 1.774 1.00 0.00 C ATOM 1320 CG2 VAL A 85 2.487 -5.330 3.643 1.00 0.00 C ATOM 0 H VAL A 85 0.519 -6.286 5.146 1.00 0.00 H new ATOM 0 HA VAL A 85 0.976 -8.406 3.151 1.00 0.00 H new ATOM 0 HB VAL A 85 2.877 -6.985 2.356 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.483 -5.353 1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.739 -6.969 1.172 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.134 -5.686 2.247 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.922 -4.594 2.966 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.642 -4.885 4.168 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.238 -5.646 4.367 1.00 0.00 H new ATOM 1330 N THR A 86 3.051 -9.286 4.263 1.00 0.00 N ATOM 1331 CA THR A 86 4.143 -9.902 4.995 1.00 0.00 C ATOM 1332 C THR A 86 5.456 -9.190 4.682 1.00 0.00 C ATOM 1333 O THR A 86 5.900 -9.169 3.530 1.00 0.00 O ATOM 1334 CB THR A 86 4.276 -11.392 4.627 1.00 0.00 C ATOM 1335 OG1 THR A 86 2.984 -12.014 4.656 1.00 0.00 O ATOM 1336 CG2 THR A 86 5.212 -12.108 5.590 1.00 0.00 C ATOM 0 H THR A 86 2.782 -9.784 3.414 1.00 0.00 H new ATOM 0 HA THR A 86 3.925 -9.816 6.059 1.00 0.00 H new ATOM 0 HB THR A 86 4.695 -11.463 3.623 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.418 -11.561 5.316 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.289 -13.158 5.309 1.00 0.00 H new ATOM 0 HG22 THR A 86 6.199 -11.648 5.548 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.819 -12.032 6.604 1.00 0.00 H new ATOM 1344 N LEU A 87 6.067 -8.596 5.695 1.00 0.00 N ATOM 1345 CA LEU A 87 7.314 -7.873 5.509 1.00 0.00 C ATOM 1346 C LEU A 87 8.453 -8.569 6.240 1.00 0.00 C ATOM 1347 O LEU A 87 8.378 -8.806 7.447 1.00 0.00 O ATOM 1348 CB LEU A 87 7.178 -6.432 6.005 1.00 0.00 C ATOM 1349 CG LEU A 87 6.127 -5.588 5.280 1.00 0.00 C ATOM 1350 CD1 LEU A 87 6.099 -4.174 5.834 1.00 0.00 C ATOM 1351 CD2 LEU A 87 6.400 -5.569 3.783 1.00 0.00 C ATOM 0 H LEU A 87 5.719 -8.601 6.654 1.00 0.00 H new ATOM 0 HA LEU A 87 7.541 -7.858 4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.934 -6.452 7.067 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.145 -5.939 5.909 1.00 0.00 H new ATOM 0 HG LEU A 87 5.149 -6.040 5.448 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.345 -3.591 5.305 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.855 -4.204 6.896 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.077 -3.711 5.699 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.643 -4.964 3.283 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.386 -5.142 3.598 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.367 -6.587 3.394 1.00 0.00 H new ATOM 1363 N GLN A 88 9.495 -8.912 5.500 1.00 0.00 N ATOM 1364 CA GLN A 88 10.681 -9.511 6.088 1.00 0.00 C ATOM 1365 C GLN A 88 11.659 -8.423 6.517 1.00 0.00 C ATOM 1366 O GLN A 88 12.324 -7.799 5.683 1.00 0.00 O ATOM 1367 CB GLN A 88 11.349 -10.467 5.096 1.00 0.00 C ATOM 1368 CG GLN A 88 12.621 -11.117 5.624 1.00 0.00 C ATOM 1369 CD GLN A 88 13.215 -12.112 4.646 1.00 0.00 C ATOM 1370 OE1 GLN A 88 12.499 -12.748 3.877 1.00 0.00 O ATOM 1371 NE2 GLN A 88 14.530 -12.245 4.663 1.00 0.00 N ATOM 0 H GLN A 88 9.543 -8.785 4.489 1.00 0.00 H new ATOM 0 HA GLN A 88 10.383 -10.083 6.967 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.639 -11.249 4.826 1.00 0.00 H new ATOM 0 HB3 GLN A 88 11.584 -9.921 4.183 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.357 -10.343 5.842 1.00 0.00 H new ATOM 0 HG3 GLN A 88 12.403 -11.623 6.564 1.00 0.00 H new ATOM 0 HE21 GLN A 88 15.089 -11.698 5.317 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.985 -12.895 4.022 1.00 0.00 H new ATOM 1380 N LEU A 89 11.719 -8.182 7.816 1.00 0.00 N ATOM 1381 CA LEU A 89 12.626 -7.192 8.364 1.00 0.00 C ATOM 1382 C LEU A 89 13.919 -7.849 8.811 1.00 0.00 C ATOM 1383 O LEU A 89 13.915 -8.810 9.576 1.00 0.00 O ATOM 1384 CB LEU A 89 11.979 -6.455 9.534 1.00 0.00 C ATOM 1385 CG LEU A 89 10.757 -5.611 9.171 1.00 0.00 C ATOM 1386 CD1 LEU A 89 10.132 -5.016 10.422 1.00 0.00 C ATOM 1387 CD2 LEU A 89 11.139 -4.509 8.193 1.00 0.00 C ATOM 0 H LEU A 89 11.147 -8.661 8.512 1.00 0.00 H new ATOM 0 HA LEU A 89 12.852 -6.467 7.582 1.00 0.00 H new ATOM 0 HB2 LEU A 89 11.686 -7.187 10.287 1.00 0.00 H new ATOM 0 HB3 LEU A 89 12.726 -5.807 9.993 1.00 0.00 H new ATOM 0 HG LEU A 89 10.023 -6.258 8.691 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.263 -4.418 10.146 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.822 -5.819 11.091 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.862 -4.384 10.928 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.256 -3.919 7.947 1.00 0.00 H new ATOM 0 HD22 LEU A 89 11.891 -3.864 8.647 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.544 -4.954 7.284 1.00 0.00 H new ATOM 1399 N GLU A 90 15.021 -7.313 8.332 1.00 0.00 N ATOM 1400 CA GLU A 90 16.338 -7.832 8.650 1.00 0.00 C ATOM 1401 C GLU A 90 16.980 -6.974 9.732 1.00 0.00 C ATOM 1402 O GLU A 90 16.641 -5.798 9.887 1.00 0.00 O ATOM 1403 CB GLU A 90 17.203 -7.857 7.384 1.00 0.00 C ATOM 1404 CG GLU A 90 18.617 -8.382 7.590 1.00 0.00 C ATOM 1405 CD GLU A 90 18.655 -9.767 8.201 1.00 0.00 C ATOM 1406 OE1 GLU A 90 18.589 -10.758 7.448 1.00 0.00 O ATOM 1407 OE2 GLU A 90 18.768 -9.870 9.442 1.00 0.00 O ATOM 0 H GLU A 90 15.031 -6.504 7.710 1.00 0.00 H new ATOM 0 HA GLU A 90 16.250 -8.851 9.026 1.00 0.00 H new ATOM 0 HB2 GLU A 90 16.707 -8.473 6.634 1.00 0.00 H new ATOM 0 HB3 GLU A 90 17.261 -6.846 6.980 1.00 0.00 H new ATOM 0 HG2 GLU A 90 19.134 -8.401 6.631 1.00 0.00 H new ATOM 0 HG3 GLU A 90 19.164 -7.693 8.234 1.00 0.00 H new ATOM 1414 N HIS A 91 17.893 -7.571 10.479 1.00 0.00 N ATOM 1415 CA HIS A 91 18.560 -6.889 11.573 1.00 0.00 C ATOM 1416 C HIS A 91 19.682 -6.021 11.025 1.00 0.00 C ATOM 1417 O HIS A 91 20.807 -6.492 10.844 1.00 0.00 O ATOM 1418 CB HIS A 91 19.138 -7.895 12.582 1.00 0.00 C ATOM 1419 CG HIS A 91 18.180 -8.965 13.018 1.00 0.00 C ATOM 1420 ND1 HIS A 91 17.695 -10.044 12.357 1.00 0.00 N flip ATOM 1421 CD2 HIS A 91 17.630 -9.020 14.281 1.00 0.00 C flip ATOM 1422 CE1 HIS A 91 16.872 -10.717 13.219 1.00 0.00 C flip ATOM 1423 NE2 HIS A 91 16.850 -10.082 14.373 1.00 0.00 N flip ATOM 0 H HIS A 91 18.191 -8.537 10.345 1.00 0.00 H new ATOM 0 HA HIS A 91 17.826 -6.268 12.087 1.00 0.00 H new ATOM 0 HB2 HIS A 91 20.015 -8.369 12.141 1.00 0.00 H new ATOM 0 HB3 HIS A 91 19.479 -7.351 13.463 1.00 0.00 H new ATOM 0 HD1 HIS A 91 17.905 -10.306 11.394 1.00 0.00 H new ATOM 0 HD2 HIS A 91 17.809 -8.306 15.072 1.00 0.00 H new ATOM 0 HE1 HIS A 91 16.329 -11.622 12.990 1.00 0.00 H new ATOM 1432 N HIS A 92 19.364 -4.772 10.715 1.00 0.00 N ATOM 1433 CA HIS A 92 20.360 -3.835 10.210 1.00 0.00 C ATOM 1434 C HIS A 92 21.380 -3.533 11.298 1.00 0.00 C ATOM 1435 O HIS A 92 21.060 -2.900 12.307 1.00 0.00 O ATOM 1436 CB HIS A 92 19.686 -2.542 9.721 1.00 0.00 C ATOM 1437 CG HIS A 92 20.635 -1.409 9.429 1.00 0.00 C ATOM 1438 ND1 HIS A 92 21.050 -1.068 8.159 1.00 0.00 N ATOM 1439 CD2 HIS A 92 21.229 -0.520 10.262 1.00 0.00 C ATOM 1440 CE1 HIS A 92 21.857 -0.022 8.227 1.00 0.00 C ATOM 1441 NE2 HIS A 92 21.981 0.329 9.493 1.00 0.00 N ATOM 0 H HIS A 92 18.425 -4.383 10.804 1.00 0.00 H new ATOM 0 HA HIS A 92 20.875 -4.287 9.362 1.00 0.00 H new ATOM 0 HB2 HIS A 92 19.118 -2.764 8.818 1.00 0.00 H new ATOM 0 HB3 HIS A 92 18.971 -2.214 10.475 1.00 0.00 H new ATOM 0 HD2 HIS A 92 21.128 -0.487 11.337 1.00 0.00 H new ATOM 0 HE1 HIS A 92 22.334 0.463 7.388 1.00 0.00 H new ATOM 0 HE2 HIS A 92 22.544 1.105 9.842 1.00 0.00 H new ATOM 1450 N HIS A 93 22.598 -4.002 11.098 1.00 0.00 N ATOM 1451 CA HIS A 93 23.679 -3.738 12.035 1.00 0.00 C ATOM 1452 C HIS A 93 24.332 -2.404 11.720 1.00 0.00 C ATOM 1453 O HIS A 93 24.219 -1.895 10.603 1.00 0.00 O ATOM 1454 CB HIS A 93 24.726 -4.853 11.998 1.00 0.00 C ATOM 1455 CG HIS A 93 24.298 -6.104 12.698 1.00 0.00 C ATOM 1456 ND1 HIS A 93 24.555 -6.342 14.030 1.00 0.00 N ATOM 1457 CD2 HIS A 93 23.639 -7.193 12.243 1.00 0.00 C ATOM 1458 CE1 HIS A 93 24.072 -7.525 14.363 1.00 0.00 C ATOM 1459 NE2 HIS A 93 23.510 -8.063 13.296 1.00 0.00 N ATOM 0 H HIS A 93 22.866 -4.569 10.294 1.00 0.00 H new ATOM 0 HA HIS A 93 23.254 -3.702 13.038 1.00 0.00 H new ATOM 0 HB2 HIS A 93 24.956 -5.089 10.959 1.00 0.00 H new ATOM 0 HB3 HIS A 93 25.647 -4.489 12.453 1.00 0.00 H new ATOM 0 HD2 HIS A 93 23.280 -7.349 11.236 1.00 0.00 H new ATOM 0 HE1 HIS A 93 24.127 -7.976 15.343 1.00 0.00 H new ATOM 0 HE2 HIS A 93 23.055 -8.975 13.261 1.00 0.00 H new ATOM 1468 N HIS A 94 25.015 -1.845 12.697 1.00 0.00 N ATOM 1469 CA HIS A 94 25.658 -0.556 12.529 1.00 0.00 C ATOM 1470 C HIS A 94 27.141 -0.669 12.846 1.00 0.00 C ATOM 1471 O HIS A 94 27.528 -1.300 13.830 1.00 0.00 O ATOM 1472 CB HIS A 94 24.995 0.492 13.431 1.00 0.00 C ATOM 1473 CG HIS A 94 25.619 1.853 13.347 1.00 0.00 C ATOM 1474 ND1 HIS A 94 26.608 2.279 14.204 1.00 0.00 N ATOM 1475 CD2 HIS A 94 25.394 2.884 12.498 1.00 0.00 C ATOM 1476 CE1 HIS A 94 26.965 3.508 13.888 1.00 0.00 C ATOM 1477 NE2 HIS A 94 26.245 3.900 12.856 1.00 0.00 N ATOM 0 H HIS A 94 25.140 -2.263 13.619 1.00 0.00 H new ATOM 0 HA HIS A 94 25.545 -0.238 11.492 1.00 0.00 H new ATOM 0 HB2 HIS A 94 23.941 0.570 13.165 1.00 0.00 H new ATOM 0 HB3 HIS A 94 25.039 0.147 14.464 1.00 0.00 H new ATOM 0 HD2 HIS A 94 24.678 2.903 11.690 1.00 0.00 H new ATOM 0 HE1 HIS A 94 27.720 4.095 14.390 1.00 0.00 H new ATOM 0 HE2 HIS A 94 26.310 4.809 12.398 1.00 0.00 H new ATOM 1486 N HIS A 95 27.963 -0.072 12.001 1.00 0.00 N ATOM 1487 CA HIS A 95 29.398 -0.050 12.218 1.00 0.00 C ATOM 1488 C HIS A 95 29.962 1.283 11.742 1.00 0.00 C ATOM 1489 O HIS A 95 29.764 1.673 10.592 1.00 0.00 O ATOM 1490 CB HIS A 95 30.080 -1.238 11.506 1.00 0.00 C ATOM 1491 CG HIS A 95 30.163 -1.129 10.007 1.00 0.00 C ATOM 1492 ND1 HIS A 95 29.071 -1.227 9.171 1.00 0.00 N ATOM 1493 CD2 HIS A 95 31.231 -0.935 9.198 1.00 0.00 C ATOM 1494 CE1 HIS A 95 29.466 -1.099 7.919 1.00 0.00 C ATOM 1495 NE2 HIS A 95 30.774 -0.922 7.904 1.00 0.00 N ATOM 0 H HIS A 95 27.658 0.407 11.153 1.00 0.00 H new ATOM 0 HA HIS A 95 29.602 -0.154 13.284 1.00 0.00 H new ATOM 0 HB2 HIS A 95 31.090 -1.346 11.902 1.00 0.00 H new ATOM 0 HB3 HIS A 95 29.539 -2.150 11.758 1.00 0.00 H new ATOM 0 HD2 HIS A 95 32.257 -0.813 9.514 1.00 0.00 H new ATOM 0 HE1 HIS A 95 28.825 -1.133 7.050 1.00 0.00 H new ATOM 0 HE2 HIS A 95 31.349 -0.797 7.071 1.00 0.00 H new ATOM 1504 N HIS A 96 30.624 1.998 12.635 1.00 0.00 N ATOM 1505 CA HIS A 96 31.169 3.305 12.293 1.00 0.00 C ATOM 1506 C HIS A 96 32.396 3.150 11.396 1.00 0.00 C ATOM 1507 O HIS A 96 33.351 2.453 11.796 1.00 0.00 O ATOM 1508 CB HIS A 96 31.494 4.130 13.554 1.00 0.00 C ATOM 1509 CG HIS A 96 32.680 3.655 14.340 1.00 0.00 C ATOM 1510 ND1 HIS A 96 32.626 2.604 15.229 1.00 0.00 N ATOM 1511 CD2 HIS A 96 33.956 4.103 14.368 1.00 0.00 C ATOM 1512 CE1 HIS A 96 33.815 2.428 15.768 1.00 0.00 C ATOM 1513 NE2 HIS A 96 34.639 3.323 15.262 1.00 0.00 N ATOM 1514 OXT HIS A 96 32.393 3.723 10.287 1.00 0.00 O ATOM 0 H HIS A 96 30.797 1.701 13.595 1.00 0.00 H new ATOM 0 HA HIS A 96 30.409 3.856 11.740 1.00 0.00 H new ATOM 0 HB2 HIS A 96 31.666 5.165 13.257 1.00 0.00 H new ATOM 0 HB3 HIS A 96 30.621 4.126 14.206 1.00 0.00 H new ATOM 0 HD2 HIS A 96 34.360 4.923 13.793 1.00 0.00 H new ATOM 0 HE1 HIS A 96 34.071 1.677 16.501 1.00 0.00 H new ATOM 0 HE2 HIS A 96 35.627 3.419 15.498 1.00 0.00 H new TER 1523 HIS A 96