USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 993 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 61 ASN : amide:sc= -1.2 K(o=-3.2,f=-11!) USER MOD Set 1.2: A 88 SER OG : rot -82:sc= -1.96! USER MOD Set 2.1: A 65 THR OG1 : rot -170:sc= 0.00242 USER MOD Set 2.2: A 66 THR OG1 : rot 180:sc= 0.0272 USER MOD Set 2.3: A 67 THR OG1 : rot 180:sc= 0.00228 USER MOD Set 3.1: A 48 MET CE :methyl -106:sc= -0.0882 (180deg=-1.53) USER MOD Set 3.2: A 50 MET CE :methyl -116:sc= -1.27 (180deg=-2.65!) USER MOD Set 4.1: A 34 ASN : amide:sc= -2.24! K(o=-1!,f=-6.2) USER MOD Set 4.2: A 36 LYS NZ :NH3+ 173:sc= 1.24 (180deg=0) USER MOD Set 5.1: A 11 TYR OH : rot 180:sc= 0.485 USER MOD Set 5.2: A 39 LYS NZ :NH3+ -111:sc= 0.922 (180deg=-0.00386) USER MOD Set 5.3: A 117 CYS SG : rot 77:sc= 0.418 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 44:sc= 0.0104 USER MOD Single : A 13 GLN : amide:sc= 0.221 X(o=0.22,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 28 LYS NZ :NH3+ 159:sc= 1.2 (180deg=-0.0602) USER MOD Single : A 40 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.39) USER MOD Single : A 43 ASN : amide:sc= 0.606 K(o=0.61,f=-0.37) USER MOD Single : A 45 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0286) USER MOD Single : A 54 GLN : amide:sc=-0.00884 X(o=-0.0088,f=-0.0088) USER MOD Single : A 57 LYS NZ :NH3+ -172:sc= 1.14 (180deg=0.989) USER MOD Single : A 59 CYS SG : rot 26:sc= -1.22! USER MOD Single : A 62 HIS : no HD1:sc= -12.6! C(o=-13!,f=-16!) USER MOD Single : A 68 MET CE :methyl -134:sc= -1.15 (180deg=-2.76) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -165:sc= -0.0552 (180deg=-0.307) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 170:sc= 0.152 USER MOD Single : A 81 MET CE :methyl -163:sc= -0.0805 (180deg=-0.604) USER MOD Single : A 85 SER OG : rot -81:sc= 0.157 USER MOD Single : A 93 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0326) USER MOD Single : A 96 GLN : amide:sc= -0.714 K(o=-0.71,f=-1.8) USER MOD Single : A 100 LYS NZ :NH3+ -170:sc= 1.3 (180deg=1.14) USER MOD Single : A 102 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.381) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.243 USER MOD Single : A 111 LYS NZ :NH3+ -174:sc= -0.257 (180deg=-0.31) USER MOD Single : A 112 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.6) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -2.21 K(o=-2.2,f=-0.97) USER MOD ----------------------------------------------------------------- ATOM 43 N GLU A 5 -11.152 -5.597 -10.963 1.00 0.00 N ATOM 44 CA GLU A 5 -10.949 -4.460 -11.709 1.00 0.00 C ATOM 45 C GLU A 5 -11.794 -3.416 -11.106 1.00 0.00 C ATOM 46 O GLU A 5 -12.908 -3.704 -10.660 1.00 0.00 O ATOM 47 CB GLU A 5 -11.266 -4.615 -13.178 1.00 0.00 C ATOM 48 CG GLU A 5 -12.727 -4.671 -13.460 1.00 0.00 C ATOM 49 CD GLU A 5 -13.374 -6.018 -13.205 1.00 0.00 C ATOM 50 OE1 GLU A 5 -13.173 -6.943 -14.007 1.00 0.00 O ATOM 51 OE2 GLU A 5 -14.102 -6.166 -12.207 1.00 0.00 O ATOM 0 HA GLU A 5 -9.889 -4.209 -11.686 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -10.828 -3.782 -13.727 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.795 -5.525 -13.551 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.229 -3.921 -12.849 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.892 -4.396 -14.502 1.00 0.00 H new ATOM 58 N ASP A 6 -11.188 -2.306 -10.974 1.00 0.00 N ATOM 59 CA ASP A 6 -11.748 -1.030 -10.454 1.00 0.00 C ATOM 60 C ASP A 6 -10.646 -0.179 -9.944 1.00 0.00 C ATOM 61 O ASP A 6 -10.727 1.030 -9.908 1.00 0.00 O ATOM 62 CB ASP A 6 -12.819 -1.257 -9.403 1.00 0.00 C ATOM 63 CG ASP A 6 -13.247 -0.047 -8.596 1.00 0.00 C ATOM 64 OD1 ASP A 6 -12.602 0.282 -7.596 1.00 0.00 O ATOM 65 OD2 ASP A 6 -14.279 0.572 -8.943 1.00 0.00 O ATOM 0 H ASP A 6 -10.207 -2.209 -11.234 1.00 0.00 H new ATOM 0 HA ASP A 6 -12.243 -0.512 -11.275 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -13.700 -1.665 -9.898 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -12.460 -2.019 -8.711 1.00 0.00 H new ATOM 70 N GLU A 7 -9.614 -0.801 -9.644 1.00 0.00 N ATOM 71 CA GLU A 7 -8.477 -0.178 -9.195 1.00 0.00 C ATOM 72 C GLU A 7 -7.566 -0.049 -10.334 1.00 0.00 C ATOM 73 O GLU A 7 -7.483 -0.916 -11.209 1.00 0.00 O ATOM 74 CB GLU A 7 -7.878 -0.889 -7.963 1.00 0.00 C ATOM 75 CG GLU A 7 -7.422 -2.338 -8.173 1.00 0.00 C ATOM 76 CD GLU A 7 -8.533 -3.326 -8.388 1.00 0.00 C ATOM 77 OE1 GLU A 7 -9.008 -3.450 -9.524 1.00 0.00 O ATOM 78 OE2 GLU A 7 -8.921 -4.024 -7.425 1.00 0.00 O ATOM 0 H GLU A 7 -9.532 -1.816 -9.707 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.697 0.823 -8.823 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.024 -0.308 -7.614 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.620 -0.876 -7.165 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.754 -2.372 -9.033 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.841 -2.650 -7.305 1.00 0.00 H new ATOM 85 N LYS A 8 -6.948 1.037 -10.358 1.00 0.00 N ATOM 86 CA LYS A 8 -6.136 1.387 -11.456 1.00 0.00 C ATOM 87 C LYS A 8 -4.684 1.570 -11.054 1.00 0.00 C ATOM 88 O LYS A 8 -4.395 1.831 -9.887 1.00 0.00 O ATOM 89 CB LYS A 8 -6.680 2.631 -12.152 1.00 0.00 C ATOM 90 CG LYS A 8 -6.856 3.803 -11.215 1.00 0.00 C ATOM 91 CD LYS A 8 -7.360 5.039 -11.918 1.00 0.00 C ATOM 92 CE LYS A 8 -7.536 6.148 -10.913 1.00 0.00 C ATOM 93 NZ LYS A 8 -7.977 7.403 -11.516 1.00 0.00 N ATOM 0 H LYS A 8 -6.980 1.732 -9.613 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.165 0.559 -12.164 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.003 2.915 -12.957 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.639 2.393 -12.611 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.555 3.529 -10.424 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.903 4.026 -10.735 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.656 5.343 -12.692 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.308 4.828 -12.414 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.262 5.838 -10.162 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.592 6.313 -10.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.080 8.126 -10.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.273 7.719 -12.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.892 7.258 -11.989 1.00 0.00 H new ATOM 107 N VAL A 9 -3.786 1.462 -12.017 1.00 0.00 N ATOM 108 CA VAL A 9 -2.384 1.608 -11.787 1.00 0.00 C ATOM 109 C VAL A 9 -2.048 3.062 -11.942 1.00 0.00 C ATOM 110 O VAL A 9 -2.270 3.663 -13.003 1.00 0.00 O ATOM 111 CB VAL A 9 -1.517 0.817 -12.819 1.00 0.00 C ATOM 112 CG1 VAL A 9 -0.038 0.888 -12.456 1.00 0.00 C ATOM 113 CG2 VAL A 9 -1.961 -0.626 -12.953 1.00 0.00 C ATOM 0 H VAL A 9 -4.027 1.268 -12.989 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.166 1.220 -10.792 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.663 1.295 -13.788 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.544 0.330 -13.189 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.286 1.929 -12.452 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.115 0.456 -11.467 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.329 -1.135 -13.681 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.876 -1.124 -11.987 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.998 -0.658 -13.287 1.00 0.00 H new ATOM 123 N LEU A 10 -1.563 3.628 -10.910 1.00 0.00 N ATOM 124 CA LEU A 10 -1.120 5.010 -10.961 1.00 0.00 C ATOM 125 C LEU A 10 0.385 5.106 -11.068 1.00 0.00 C ATOM 126 O LEU A 10 0.912 5.828 -11.911 1.00 0.00 O ATOM 127 CB LEU A 10 -1.636 5.871 -9.786 1.00 0.00 C ATOM 128 CG LEU A 10 -3.145 6.175 -9.717 1.00 0.00 C ATOM 129 CD1 LEU A 10 -3.666 6.732 -11.029 1.00 0.00 C ATOM 130 CD2 LEU A 10 -3.947 4.978 -9.246 1.00 0.00 C ATOM 0 H LEU A 10 -1.451 3.175 -10.003 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.565 5.423 -11.866 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.353 5.373 -8.858 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.105 6.823 -9.812 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.279 6.953 -8.966 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.734 6.934 -10.940 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.140 7.657 -11.266 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.499 6.006 -11.825 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.005 5.239 -9.213 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.800 4.147 -9.936 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.614 4.686 -8.250 1.00 0.00 H new ATOM 142 N TYR A 11 1.066 4.362 -10.250 1.00 0.00 N ATOM 143 CA TYR A 11 2.516 4.414 -10.193 1.00 0.00 C ATOM 144 C TYR A 11 3.137 3.036 -10.075 1.00 0.00 C ATOM 145 O TYR A 11 2.610 2.159 -9.366 1.00 0.00 O ATOM 146 CB TYR A 11 3.019 5.407 -9.104 1.00 0.00 C ATOM 147 CG TYR A 11 2.295 5.339 -7.770 1.00 0.00 C ATOM 148 CD1 TYR A 11 1.084 5.998 -7.597 1.00 0.00 C ATOM 149 CD2 TYR A 11 2.808 4.632 -6.694 1.00 0.00 C ATOM 150 CE1 TYR A 11 0.404 5.953 -6.410 1.00 0.00 C ATOM 151 CE2 TYR A 11 2.124 4.582 -5.491 1.00 0.00 C ATOM 152 CZ TYR A 11 0.921 5.245 -5.359 1.00 0.00 C ATOM 153 OH TYR A 11 0.216 5.184 -4.169 1.00 0.00 O ATOM 0 H TYR A 11 0.644 3.699 -9.600 1.00 0.00 H new ATOM 0 HA TYR A 11 2.860 4.811 -11.148 1.00 0.00 H new ATOM 0 HB2 TYR A 11 4.079 5.223 -8.932 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.931 6.421 -9.494 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.669 6.560 -8.420 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.751 4.115 -6.795 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.536 6.474 -6.303 1.00 0.00 H new ATOM 0 HE2 TYR A 11 2.531 4.026 -4.659 1.00 0.00 H new ATOM 0 HH TYR A 11 0.714 4.643 -3.521 1.00 0.00 H new ATOM 163 N SER A 12 4.192 2.832 -10.840 1.00 0.00 N ATOM 164 CA SER A 12 4.910 1.609 -10.913 1.00 0.00 C ATOM 165 C SER A 12 6.423 1.845 -10.741 1.00 0.00 C ATOM 166 O SER A 12 7.021 2.626 -11.489 1.00 0.00 O ATOM 167 CB SER A 12 4.601 1.030 -12.275 1.00 0.00 C ATOM 168 OG SER A 12 4.591 2.052 -13.267 1.00 0.00 O ATOM 0 H SER A 12 4.575 3.556 -11.448 1.00 0.00 H new ATOM 0 HA SER A 12 4.616 0.927 -10.116 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.344 0.275 -12.532 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.633 0.530 -12.252 1.00 0.00 H new ATOM 0 HG SER A 12 5.357 2.648 -13.130 1.00 0.00 H new ATOM 174 N GLN A 13 7.032 1.216 -9.738 1.00 0.00 N ATOM 175 CA GLN A 13 8.482 1.341 -9.543 1.00 0.00 C ATOM 176 C GLN A 13 9.078 0.095 -8.913 1.00 0.00 C ATOM 177 O GLN A 13 8.382 -0.655 -8.288 1.00 0.00 O ATOM 178 CB GLN A 13 8.850 2.655 -8.820 1.00 0.00 C ATOM 179 CG GLN A 13 10.337 2.958 -8.714 1.00 0.00 C ATOM 180 CD GLN A 13 10.607 4.293 -8.057 1.00 0.00 C ATOM 181 OE1 GLN A 13 10.679 5.317 -8.728 1.00 0.00 O ATOM 182 NE2 GLN A 13 10.782 4.293 -6.766 1.00 0.00 N ATOM 0 H GLN A 13 6.558 0.624 -9.056 1.00 0.00 H new ATOM 0 HA GLN A 13 8.949 1.413 -10.525 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.366 3.482 -9.340 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.432 2.623 -7.814 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.826 2.169 -8.142 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.779 2.950 -9.710 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.714 3.420 -6.242 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.987 5.166 -6.279 1.00 0.00 H new ATOM 191 N ARG A 14 10.358 -0.111 -9.105 1.00 0.00 N ATOM 192 CA ARG A 14 11.020 -1.279 -8.617 1.00 0.00 C ATOM 193 C ARG A 14 11.293 -1.175 -7.126 1.00 0.00 C ATOM 194 O ARG A 14 11.919 -0.232 -6.638 1.00 0.00 O ATOM 195 CB ARG A 14 12.305 -1.535 -9.397 1.00 0.00 C ATOM 196 CG ARG A 14 13.055 -2.797 -8.991 1.00 0.00 C ATOM 197 CD ARG A 14 14.259 -3.019 -9.883 1.00 0.00 C ATOM 198 NE ARG A 14 13.867 -3.169 -11.293 1.00 0.00 N ATOM 199 CZ ARG A 14 14.679 -3.011 -12.347 1.00 0.00 C ATOM 200 NH1 ARG A 14 15.930 -2.585 -12.174 1.00 0.00 N ATOM 201 NH2 ARG A 14 14.223 -3.250 -13.574 1.00 0.00 N ATOM 0 H ARG A 14 10.966 0.535 -9.608 1.00 0.00 H new ATOM 0 HA ARG A 14 10.357 -2.131 -8.769 1.00 0.00 H new ATOM 0 HB2 ARG A 14 12.064 -1.598 -10.458 1.00 0.00 H new ATOM 0 HB3 ARG A 14 12.967 -0.679 -9.271 1.00 0.00 H new ATOM 0 HG2 ARG A 14 13.376 -2.716 -7.953 1.00 0.00 H new ATOM 0 HG3 ARG A 14 12.388 -3.657 -9.052 1.00 0.00 H new ATOM 0 HD2 ARG A 14 14.947 -2.179 -9.783 1.00 0.00 H new ATOM 0 HD3 ARG A 14 14.795 -3.910 -9.557 1.00 0.00 H new ATOM 0 HE ARG A 14 12.895 -3.414 -11.484 1.00 0.00 H new ATOM 0 HH11 ARG A 14 16.273 -2.378 -11.236 1.00 0.00 H new ATOM 0 HH12 ARG A 14 16.544 -2.466 -12.980 1.00 0.00 H new ATOM 0 HH21 ARG A 14 13.258 -3.552 -13.710 1.00 0.00 H new ATOM 0 HH22 ARG A 14 14.838 -3.131 -14.379 1.00 0.00 H new ATOM 215 N VAL A 15 10.794 -2.145 -6.453 1.00 0.00 N ATOM 216 CA VAL A 15 10.863 -2.305 -5.041 1.00 0.00 C ATOM 217 C VAL A 15 11.429 -3.719 -4.772 1.00 0.00 C ATOM 218 O VAL A 15 11.617 -4.503 -5.718 1.00 0.00 O ATOM 219 CB VAL A 15 9.407 -2.214 -4.467 1.00 0.00 C ATOM 220 CG1 VAL A 15 8.608 -3.494 -4.728 1.00 0.00 C ATOM 221 CG2 VAL A 15 9.380 -1.816 -2.999 1.00 0.00 C ATOM 0 H VAL A 15 10.288 -2.907 -6.905 1.00 0.00 H new ATOM 0 HA VAL A 15 11.489 -1.543 -4.577 1.00 0.00 H new ATOM 0 HB VAL A 15 8.912 -1.410 -5.012 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.605 -3.388 -4.314 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.540 -3.668 -5.802 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.109 -4.338 -4.254 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.347 -1.768 -2.654 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.925 -2.555 -2.412 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.848 -0.839 -2.878 1.00 0.00 H new ATOM 231 N LYS A 16 11.719 -4.031 -3.543 1.00 0.00 N ATOM 232 CA LYS A 16 12.129 -5.366 -3.165 1.00 0.00 C ATOM 233 C LYS A 16 11.218 -5.827 -2.041 1.00 0.00 C ATOM 234 O LYS A 16 11.040 -5.086 -1.071 1.00 0.00 O ATOM 235 CB LYS A 16 13.606 -5.372 -2.728 1.00 0.00 C ATOM 236 CG LYS A 16 14.559 -4.885 -3.821 1.00 0.00 C ATOM 237 CD LYS A 16 16.019 -4.976 -3.411 1.00 0.00 C ATOM 238 CE LYS A 16 16.924 -4.525 -4.553 1.00 0.00 C ATOM 239 NZ LYS A 16 18.363 -4.657 -4.228 1.00 0.00 N ATOM 0 H LYS A 16 11.680 -3.370 -2.767 1.00 0.00 H new ATOM 0 HA LYS A 16 12.045 -6.048 -4.011 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.720 -4.740 -1.847 1.00 0.00 H new ATOM 0 HB3 LYS A 16 13.887 -6.383 -2.434 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.402 -5.476 -4.723 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.320 -3.851 -4.071 1.00 0.00 H new ATOM 0 HD2 LYS A 16 16.195 -4.355 -2.533 1.00 0.00 H new ATOM 0 HD3 LYS A 16 16.261 -6.001 -3.131 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.701 -5.114 -5.442 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.704 -3.485 -4.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 18.932 -4.337 -5.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 18.586 -4.074 -3.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 18.583 -5.653 -4.022 1.00 0.00 H new ATOM 253 N LEU A 17 10.630 -7.025 -2.151 1.00 0.00 N ATOM 254 CA LEU A 17 9.686 -7.467 -1.167 1.00 0.00 C ATOM 255 C LEU A 17 10.353 -8.488 -0.305 1.00 0.00 C ATOM 256 O LEU A 17 11.244 -9.200 -0.757 1.00 0.00 O ATOM 257 CB LEU A 17 8.426 -8.082 -1.826 1.00 0.00 C ATOM 258 CG LEU A 17 7.333 -8.607 -0.884 1.00 0.00 C ATOM 259 CD1 LEU A 17 6.720 -7.486 -0.053 1.00 0.00 C ATOM 260 CD2 LEU A 17 6.269 -9.308 -1.677 1.00 0.00 C ATOM 0 H LEU A 17 10.801 -7.685 -2.909 1.00 0.00 H new ATOM 0 HA LEU A 17 9.363 -6.611 -0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.981 -7.328 -2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.746 -8.904 -2.466 1.00 0.00 H new ATOM 0 HG LEU A 17 7.795 -9.313 -0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.951 -7.897 0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.496 -7.015 0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.274 -6.744 -0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.497 -9.678 -1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.826 -8.610 -2.388 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.710 -10.145 -2.217 1.00 0.00 H new ATOM 272 N PHE A 18 9.949 -8.541 0.900 1.00 0.00 N ATOM 273 CA PHE A 18 10.447 -9.467 1.873 1.00 0.00 C ATOM 274 C PHE A 18 9.301 -10.224 2.484 1.00 0.00 C ATOM 275 O PHE A 18 8.215 -9.677 2.648 1.00 0.00 O ATOM 276 CB PHE A 18 11.155 -8.739 2.996 1.00 0.00 C ATOM 277 CG PHE A 18 12.381 -7.979 2.611 1.00 0.00 C ATOM 278 CD1 PHE A 18 13.573 -8.635 2.380 1.00 0.00 C ATOM 279 CD2 PHE A 18 12.344 -6.608 2.496 1.00 0.00 C ATOM 280 CE1 PHE A 18 14.709 -7.939 2.035 1.00 0.00 C ATOM 281 CE2 PHE A 18 13.469 -5.906 2.157 1.00 0.00 C ATOM 282 CZ PHE A 18 14.657 -6.570 1.924 1.00 0.00 C ATOM 0 H PHE A 18 9.230 -7.918 1.268 1.00 0.00 H new ATOM 0 HA PHE A 18 11.140 -10.140 1.367 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.450 -8.045 3.454 1.00 0.00 H new ATOM 0 HB3 PHE A 18 11.428 -9.467 3.760 1.00 0.00 H new ATOM 0 HD1 PHE A 18 13.615 -9.710 2.471 1.00 0.00 H new ATOM 0 HD2 PHE A 18 11.418 -6.081 2.675 1.00 0.00 H new ATOM 0 HE1 PHE A 18 15.635 -8.465 1.853 1.00 0.00 H new ATOM 0 HE2 PHE A 18 13.427 -4.830 2.072 1.00 0.00 H new ATOM 0 HZ PHE A 18 15.543 -6.015 1.655 1.00 0.00 H new ATOM 292 N ARG A 19 9.540 -11.456 2.831 1.00 0.00 N ATOM 293 CA ARG A 19 8.645 -12.231 3.473 1.00 0.00 C ATOM 294 C ARG A 19 9.131 -12.595 4.807 1.00 0.00 C ATOM 295 O ARG A 19 10.320 -12.798 5.030 1.00 0.00 O ATOM 296 CB ARG A 19 8.226 -13.413 2.670 1.00 0.00 C ATOM 297 CG ARG A 19 9.313 -14.257 1.994 1.00 0.00 C ATOM 298 CD ARG A 19 9.954 -15.233 2.946 1.00 0.00 C ATOM 299 NE ARG A 19 8.983 -16.203 3.479 1.00 0.00 N ATOM 300 CZ ARG A 19 9.233 -17.042 4.481 1.00 0.00 C ATOM 301 NH1 ARG A 19 10.400 -16.992 5.092 1.00 0.00 N ATOM 302 NH2 ARG A 19 8.315 -17.907 4.873 1.00 0.00 N ATOM 0 H ARG A 19 10.425 -11.926 2.641 1.00 0.00 H new ATOM 0 HA ARG A 19 7.739 -11.640 3.607 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.652 -14.071 3.322 1.00 0.00 H new ATOM 0 HB3 ARG A 19 7.546 -13.063 1.893 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.878 -14.802 1.156 1.00 0.00 H new ATOM 0 HG3 ARG A 19 10.078 -13.598 1.583 1.00 0.00 H new ATOM 0 HD2 ARG A 19 10.755 -15.766 2.434 1.00 0.00 H new ATOM 0 HD3 ARG A 19 10.411 -14.687 3.771 1.00 0.00 H new ATOM 0 HE ARG A 19 8.057 -16.234 3.052 1.00 0.00 H new ATOM 0 HH11 ARG A 19 11.102 -16.314 4.796 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.601 -17.631 5.861 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.408 -17.935 4.407 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.513 -18.547 5.642 1.00 0.00 H new ATOM 316 N PHE A 20 8.223 -12.691 5.644 1.00 0.00 N ATOM 317 CA PHE A 20 8.442 -12.860 7.019 1.00 0.00 C ATOM 318 C PHE A 20 8.476 -14.308 7.331 1.00 0.00 C ATOM 319 O PHE A 20 7.575 -15.085 6.964 1.00 0.00 O ATOM 320 CB PHE A 20 7.331 -12.221 7.820 1.00 0.00 C ATOM 321 CG PHE A 20 7.618 -12.032 9.284 1.00 0.00 C ATOM 322 CD1 PHE A 20 8.467 -11.025 9.710 1.00 0.00 C ATOM 323 CD2 PHE A 20 7.018 -12.841 10.231 1.00 0.00 C ATOM 324 CE1 PHE A 20 8.714 -10.832 11.053 1.00 0.00 C ATOM 325 CE2 PHE A 20 7.264 -12.657 11.573 1.00 0.00 C ATOM 326 CZ PHE A 20 8.113 -11.650 11.987 1.00 0.00 C ATOM 0 H PHE A 20 7.235 -12.654 5.394 1.00 0.00 H new ATOM 0 HA PHE A 20 9.389 -12.387 7.280 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.104 -11.249 7.383 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.435 -12.833 7.719 1.00 0.00 H new ATOM 0 HD1 PHE A 20 8.941 -10.383 8.982 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.348 -13.627 9.914 1.00 0.00 H new ATOM 0 HE1 PHE A 20 9.377 -10.042 11.373 1.00 0.00 H new ATOM 0 HE2 PHE A 20 6.793 -13.300 12.302 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.306 -11.503 13.039 1.00 0.00 H new ATOM 336 N ASP A 21 9.483 -14.651 7.977 1.00 0.00 N ATOM 337 CA ASP A 21 9.669 -15.979 8.453 1.00 0.00 C ATOM 338 C ASP A 21 9.065 -16.098 9.761 1.00 0.00 C ATOM 339 O ASP A 21 9.326 -15.339 10.612 1.00 0.00 O ATOM 340 CB ASP A 21 11.104 -16.438 8.571 1.00 0.00 C ATOM 341 CG ASP A 21 11.140 -17.880 8.198 1.00 0.00 C ATOM 342 OD1 ASP A 21 10.684 -18.699 8.977 1.00 0.00 O ATOM 343 OD2 ASP A 21 11.586 -18.190 7.091 1.00 0.00 O ATOM 0 H ASP A 21 10.245 -14.015 8.213 1.00 0.00 H new ATOM 0 HA ASP A 21 9.203 -16.615 7.700 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.749 -15.855 7.914 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.471 -16.295 9.587 1.00 0.00 H new ATOM 348 N ALA A 22 8.194 -16.942 9.849 1.00 0.00 N ATOM 349 CA ALA A 22 7.527 -17.256 11.093 1.00 0.00 C ATOM 350 C ALA A 22 8.490 -17.947 12.031 1.00 0.00 C ATOM 351 O ALA A 22 8.498 -17.697 13.235 1.00 0.00 O ATOM 352 CB ALA A 22 6.302 -18.101 10.860 1.00 0.00 C ATOM 0 H ALA A 22 7.866 -17.493 9.056 1.00 0.00 H new ATOM 0 HA ALA A 22 7.195 -16.324 11.552 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.824 -18.319 11.815 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.604 -17.561 10.220 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.590 -19.034 10.377 1.00 0.00 H new ATOM 358 N GLU A 23 9.334 -18.778 11.454 1.00 0.00 N ATOM 359 CA GLU A 23 10.299 -19.525 12.197 1.00 0.00 C ATOM 360 C GLU A 23 11.512 -18.692 12.493 1.00 0.00 C ATOM 361 O GLU A 23 12.150 -18.853 13.529 1.00 0.00 O ATOM 362 CB GLU A 23 10.704 -20.766 11.440 1.00 0.00 C ATOM 363 CG GLU A 23 9.606 -21.788 11.355 1.00 0.00 C ATOM 364 CD GLU A 23 9.145 -22.231 12.717 1.00 0.00 C ATOM 365 OE1 GLU A 23 9.977 -22.736 13.503 1.00 0.00 O ATOM 366 OE2 GLU A 23 7.953 -22.075 13.044 1.00 0.00 O ATOM 0 H GLU A 23 9.361 -18.947 10.449 1.00 0.00 H new ATOM 0 HA GLU A 23 9.840 -19.818 13.141 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.011 -20.486 10.432 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.572 -21.213 11.925 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.763 -21.370 10.805 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.958 -22.652 10.792 1.00 0.00 H new ATOM 373 N VAL A 24 11.834 -17.774 11.598 1.00 0.00 N ATOM 374 CA VAL A 24 13.039 -16.967 11.827 1.00 0.00 C ATOM 375 C VAL A 24 12.678 -15.644 12.359 1.00 0.00 C ATOM 376 O VAL A 24 13.527 -14.879 12.833 1.00 0.00 O ATOM 377 CB VAL A 24 13.939 -16.759 10.587 1.00 0.00 C ATOM 378 CG1 VAL A 24 15.365 -16.400 10.972 1.00 0.00 C ATOM 379 CG2 VAL A 24 13.905 -17.939 9.723 1.00 0.00 C ATOM 0 H VAL A 24 11.314 -17.568 10.745 1.00 0.00 H new ATOM 0 HA VAL A 24 13.620 -17.548 12.543 1.00 0.00 H new ATOM 0 HB VAL A 24 13.539 -15.912 10.029 1.00 0.00 H new ATOM 0 HG11 VAL A 24 15.962 -16.263 10.070 1.00 0.00 H new ATOM 0 HG12 VAL A 24 15.364 -15.476 11.550 1.00 0.00 H new ATOM 0 HG13 VAL A 24 15.793 -17.203 11.572 1.00 0.00 H new ATOM 0 HG21 VAL A 24 14.544 -17.774 8.856 1.00 0.00 H new ATOM 0 HG22 VAL A 24 14.263 -18.806 10.278 1.00 0.00 H new ATOM 0 HG23 VAL A 24 12.882 -18.117 9.391 1.00 0.00 H new ATOM 389 N SER A 25 11.397 -15.405 12.337 1.00 0.00 N ATOM 390 CA SER A 25 10.835 -14.123 12.566 1.00 0.00 C ATOM 391 C SER A 25 11.504 -13.141 11.701 1.00 0.00 C ATOM 392 O SER A 25 11.728 -11.984 12.111 1.00 0.00 O ATOM 393 CB SER A 25 10.943 -13.783 13.985 1.00 0.00 C ATOM 394 OG SER A 25 9.940 -14.419 14.763 1.00 0.00 O ATOM 0 H SER A 25 10.701 -16.127 12.152 1.00 0.00 H new ATOM 0 HA SER A 25 9.775 -14.119 12.314 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.927 -14.074 14.354 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.865 -12.703 14.106 1.00 0.00 H new ATOM 0 HG SER A 25 10.048 -14.168 15.704 1.00 0.00 H new ATOM 400 N GLN A 26 11.803 -13.535 10.458 1.00 0.00 N ATOM 401 CA GLN A 26 12.566 -12.573 9.753 1.00 0.00 C ATOM 402 C GLN A 26 12.124 -12.315 8.314 1.00 0.00 C ATOM 403 O GLN A 26 11.682 -13.205 7.619 1.00 0.00 O ATOM 404 CB GLN A 26 14.067 -12.852 9.863 1.00 0.00 C ATOM 405 CG GLN A 26 14.957 -11.779 9.251 1.00 0.00 C ATOM 406 CD GLN A 26 16.420 -11.999 9.515 1.00 0.00 C ATOM 407 OE1 GLN A 26 16.880 -13.129 9.661 1.00 0.00 O ATOM 408 NE2 GLN A 26 17.159 -10.939 9.576 1.00 0.00 N ATOM 0 H GLN A 26 11.555 -14.406 9.988 1.00 0.00 H new ATOM 0 HA GLN A 26 12.359 -11.630 10.260 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.326 -12.964 10.916 1.00 0.00 H new ATOM 0 HB3 GLN A 26 14.283 -13.804 9.379 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.790 -11.748 8.174 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.666 -10.806 9.647 1.00 0.00 H new ATOM 0 HE21 GLN A 26 16.740 -10.017 9.450 1.00 0.00 H new ATOM 0 HE22 GLN A 26 18.160 -11.025 9.750 1.00 0.00 H new ATOM 417 N TRP A 27 12.298 -11.087 7.904 1.00 0.00 N ATOM 418 CA TRP A 27 11.998 -10.575 6.624 1.00 0.00 C ATOM 419 C TRP A 27 13.111 -10.907 5.585 1.00 0.00 C ATOM 420 O TRP A 27 14.167 -10.309 5.580 1.00 0.00 O ATOM 421 CB TRP A 27 11.791 -9.043 6.799 1.00 0.00 C ATOM 422 CG TRP A 27 12.471 -8.457 8.038 1.00 0.00 C ATOM 423 CD1 TRP A 27 11.870 -8.170 9.233 1.00 0.00 C ATOM 424 CD2 TRP A 27 13.868 -8.120 8.211 1.00 0.00 C ATOM 425 NE1 TRP A 27 12.796 -7.694 10.124 1.00 0.00 N ATOM 426 CE2 TRP A 27 14.021 -7.648 9.525 1.00 0.00 C ATOM 427 CE3 TRP A 27 14.995 -8.172 7.389 1.00 0.00 C ATOM 428 CZ2 TRP A 27 15.249 -7.235 10.031 1.00 0.00 C ATOM 429 CZ3 TRP A 27 16.209 -7.763 7.893 1.00 0.00 C ATOM 430 CH2 TRP A 27 16.329 -7.302 9.203 1.00 0.00 C ATOM 0 H TRP A 27 12.686 -10.372 8.520 1.00 0.00 H new ATOM 0 HA TRP A 27 11.097 -11.039 6.223 1.00 0.00 H new ATOM 0 HB2 TRP A 27 12.171 -8.533 5.914 1.00 0.00 H new ATOM 0 HB3 TRP A 27 10.722 -8.836 6.852 1.00 0.00 H new ATOM 0 HD1 TRP A 27 10.819 -8.300 9.444 1.00 0.00 H new ATOM 0 HE1 TRP A 27 12.600 -7.417 11.086 1.00 0.00 H new ATOM 0 HE3 TRP A 27 14.916 -8.528 6.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 15.343 -6.874 11.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 17.085 -7.800 7.262 1.00 0.00 H new ATOM 0 HH2 TRP A 27 17.297 -6.992 9.569 1.00 0.00 H new ATOM 441 N LYS A 28 12.871 -11.900 4.762 1.00 0.00 N ATOM 442 CA LYS A 28 13.804 -12.245 3.673 1.00 0.00 C ATOM 443 C LYS A 28 13.113 -12.149 2.340 1.00 0.00 C ATOM 444 O LYS A 28 11.928 -12.422 2.255 1.00 0.00 O ATOM 445 CB LYS A 28 14.534 -13.596 3.862 1.00 0.00 C ATOM 446 CG LYS A 28 13.663 -14.812 4.181 1.00 0.00 C ATOM 447 CD LYS A 28 14.452 -16.107 3.941 1.00 0.00 C ATOM 448 CE LYS A 28 13.710 -17.352 4.414 1.00 0.00 C ATOM 449 NZ LYS A 28 13.833 -17.552 5.877 1.00 0.00 N ATOM 0 H LYS A 28 12.043 -12.493 4.811 1.00 0.00 H new ATOM 0 HA LYS A 28 14.603 -11.504 3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 28 15.095 -13.809 2.952 1.00 0.00 H new ATOM 0 HB3 LYS A 28 15.262 -13.479 4.665 1.00 0.00 H new ATOM 0 HG2 LYS A 28 13.329 -14.768 5.218 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.769 -14.802 3.558 1.00 0.00 H new ATOM 0 HD2 LYS A 28 14.669 -16.202 2.877 1.00 0.00 H new ATOM 0 HD3 LYS A 28 15.410 -16.043 4.457 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.656 -17.269 4.147 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.102 -18.226 3.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.060 -18.163 6.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.746 -18.001 6.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.779 -16.632 6.359 1.00 0.00 H new ATOM 463 N GLU A 29 13.861 -11.752 1.308 1.00 0.00 N ATOM 464 CA GLU A 29 13.336 -11.435 0.038 1.00 0.00 C ATOM 465 C GLU A 29 12.368 -12.408 -0.569 1.00 0.00 C ATOM 466 O GLU A 29 12.569 -13.620 -0.636 1.00 0.00 O ATOM 467 CB GLU A 29 14.327 -10.767 -0.943 1.00 0.00 C ATOM 468 CG GLU A 29 15.703 -11.422 -1.077 1.00 0.00 C ATOM 469 CD GLU A 29 15.674 -12.777 -1.717 1.00 0.00 C ATOM 470 OE1 GLU A 29 15.623 -12.854 -2.957 1.00 0.00 O ATOM 471 OE2 GLU A 29 15.714 -13.784 -1.001 1.00 0.00 O ATOM 0 H GLU A 29 14.874 -11.649 1.365 1.00 0.00 H new ATOM 0 HA GLU A 29 12.657 -10.621 0.293 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.864 -10.741 -1.930 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.471 -9.733 -0.631 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.349 -10.769 -1.663 1.00 0.00 H new ATOM 0 HG3 GLU A 29 16.151 -11.509 -0.087 1.00 0.00 H new ATOM 478 N ARG A 30 11.319 -11.828 -0.961 1.00 0.00 N ATOM 479 CA ARG A 30 10.125 -12.491 -1.462 1.00 0.00 C ATOM 480 C ARG A 30 10.120 -12.334 -2.941 1.00 0.00 C ATOM 481 O ARG A 30 9.679 -13.198 -3.694 1.00 0.00 O ATOM 482 CB ARG A 30 8.973 -11.693 -0.927 1.00 0.00 C ATOM 483 CG ARG A 30 7.683 -12.421 -0.552 1.00 0.00 C ATOM 484 CD ARG A 30 6.904 -12.973 -1.721 1.00 0.00 C ATOM 485 NE ARG A 30 5.468 -12.990 -1.394 1.00 0.00 N ATOM 486 CZ ARG A 30 4.499 -13.445 -2.175 1.00 0.00 C ATOM 487 NH1 ARG A 30 4.768 -14.289 -3.156 1.00 0.00 N ATOM 488 NH2 ARG A 30 3.246 -13.109 -1.929 1.00 0.00 N ATOM 0 H ARG A 30 11.229 -10.812 -0.955 1.00 0.00 H new ATOM 0 HA ARG A 30 10.077 -13.543 -1.180 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.322 -11.163 -0.041 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.721 -10.938 -1.671 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.928 -13.241 0.123 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.043 -11.734 0.001 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.078 -12.363 -2.608 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.246 -13.981 -1.955 1.00 0.00 H new ATOM 0 HE ARG A 30 5.195 -12.618 -0.484 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.728 -14.595 -3.317 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.016 -14.634 -3.752 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.027 -12.501 -1.140 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.498 -13.457 -2.528 1.00 0.00 H new ATOM 502 N GLY A 31 10.576 -11.198 -3.334 1.00 0.00 N ATOM 503 CA GLY A 31 10.637 -10.843 -4.676 1.00 0.00 C ATOM 504 C GLY A 31 11.329 -9.544 -4.798 1.00 0.00 C ATOM 505 O GLY A 31 11.607 -8.897 -3.805 1.00 0.00 O ATOM 0 H GLY A 31 10.923 -10.480 -2.698 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.168 -11.607 -5.244 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.632 -10.775 -5.094 1.00 0.00 H new ATOM 509 N LEU A 32 11.586 -9.184 -5.976 1.00 0.00 N ATOM 510 CA LEU A 32 12.269 -7.976 -6.356 1.00 0.00 C ATOM 511 C LEU A 32 11.566 -7.544 -7.619 1.00 0.00 C ATOM 512 O LEU A 32 11.277 -8.404 -8.466 1.00 0.00 O ATOM 513 CB LEU A 32 13.773 -8.238 -6.746 1.00 0.00 C ATOM 514 CG LEU A 32 14.719 -9.046 -5.800 1.00 0.00 C ATOM 515 CD1 LEU A 32 14.757 -8.506 -4.386 1.00 0.00 C ATOM 516 CD2 LEU A 32 14.432 -10.545 -5.829 1.00 0.00 C ATOM 0 H LEU A 32 11.316 -9.748 -6.782 1.00 0.00 H new ATOM 0 HA LEU A 32 12.255 -7.257 -5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.769 -8.751 -7.708 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.236 -7.264 -6.906 1.00 0.00 H new ATOM 0 HG LEU A 32 15.721 -8.905 -6.204 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.432 -9.113 -3.783 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.110 -7.475 -4.400 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.756 -8.541 -3.956 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.117 -11.060 -5.155 1.00 0.00 H new ATOM 0 HD22 LEU A 32 13.405 -10.725 -5.511 1.00 0.00 H new ATOM 0 HD23 LEU A 32 14.569 -10.922 -6.842 1.00 0.00 H new ATOM 528 N GLY A 33 11.246 -6.295 -7.771 1.00 0.00 N ATOM 529 CA GLY A 33 10.641 -5.924 -9.002 1.00 0.00 C ATOM 530 C GLY A 33 9.741 -4.728 -8.929 1.00 0.00 C ATOM 531 O GLY A 33 9.831 -3.940 -8.054 1.00 0.00 O ATOM 0 H GLY A 33 11.387 -5.549 -7.090 1.00 0.00 H new ATOM 0 HA2 GLY A 33 11.427 -5.725 -9.731 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.066 -6.771 -9.377 1.00 0.00 H new ATOM 535 N ASN A 34 8.832 -4.685 -9.826 1.00 0.00 N ATOM 536 CA ASN A 34 7.928 -3.589 -10.057 1.00 0.00 C ATOM 537 C ASN A 34 6.772 -3.667 -9.188 1.00 0.00 C ATOM 538 O ASN A 34 5.987 -4.625 -9.183 1.00 0.00 O ATOM 539 CB ASN A 34 7.460 -3.657 -11.469 1.00 0.00 C ATOM 540 CG ASN A 34 6.288 -2.752 -11.816 1.00 0.00 C ATOM 541 OD1 ASN A 34 5.444 -3.125 -12.610 1.00 0.00 O ATOM 542 ND2 ASN A 34 6.240 -1.572 -11.283 1.00 0.00 N ATOM 0 H ASN A 34 8.676 -5.460 -10.471 1.00 0.00 H new ATOM 0 HA ASN A 34 8.453 -2.656 -9.854 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.296 -3.406 -12.123 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.179 -4.687 -11.691 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.483 -0.933 -11.526 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.959 -1.282 -10.620 1.00 0.00 H new ATOM 549 N LEU A 35 6.707 -2.664 -8.459 1.00 0.00 N ATOM 550 CA LEU A 35 5.651 -2.367 -7.651 1.00 0.00 C ATOM 551 C LEU A 35 4.648 -1.532 -8.379 1.00 0.00 C ATOM 552 O LEU A 35 4.954 -0.448 -8.846 1.00 0.00 O ATOM 553 CB LEU A 35 6.113 -1.700 -6.356 1.00 0.00 C ATOM 554 CG LEU A 35 5.094 -0.854 -5.587 1.00 0.00 C ATOM 555 CD1 LEU A 35 3.952 -1.684 -5.074 1.00 0.00 C ATOM 556 CD2 LEU A 35 5.771 -0.109 -4.461 1.00 0.00 C ATOM 0 H LEU A 35 7.455 -1.973 -8.410 1.00 0.00 H new ATOM 0 HA LEU A 35 5.163 -3.301 -7.371 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.473 -2.481 -5.687 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.966 -1.064 -6.592 1.00 0.00 H new ATOM 0 HG LEU A 35 4.674 -0.127 -6.282 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.252 -1.046 -4.535 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.440 -2.157 -5.912 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.334 -2.453 -4.402 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.033 0.488 -3.924 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.229 -0.823 -3.776 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.540 0.547 -4.869 1.00 0.00 H new ATOM 568 N LYS A 36 3.485 -2.048 -8.475 1.00 0.00 N ATOM 569 CA LYS A 36 2.392 -1.336 -8.982 1.00 0.00 C ATOM 570 C LYS A 36 1.411 -1.103 -7.859 1.00 0.00 C ATOM 571 O LYS A 36 1.129 -2.009 -7.070 1.00 0.00 O ATOM 572 CB LYS A 36 1.651 -2.063 -10.113 1.00 0.00 C ATOM 573 CG LYS A 36 2.378 -2.221 -11.434 1.00 0.00 C ATOM 574 CD LYS A 36 1.432 -2.848 -12.458 1.00 0.00 C ATOM 575 CE LYS A 36 2.030 -2.925 -13.853 1.00 0.00 C ATOM 576 NZ LYS A 36 3.193 -3.822 -13.925 1.00 0.00 N ATOM 0 H LYS A 36 3.266 -3.004 -8.194 1.00 0.00 H new ATOM 0 HA LYS A 36 2.786 -0.408 -9.396 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.382 -3.057 -9.755 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.719 -1.530 -10.303 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.726 -1.251 -11.789 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.260 -2.848 -11.304 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.163 -3.852 -12.129 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.510 -2.267 -12.496 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.268 -3.269 -14.552 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.327 -1.926 -14.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.488 -3.930 -14.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.977 -3.419 -13.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.938 -4.753 -13.537 1.00 0.00 H new ATOM 590 N ILE A 37 0.891 0.061 -7.791 1.00 0.00 N ATOM 591 CA ILE A 37 -0.138 0.349 -6.862 1.00 0.00 C ATOM 592 C ILE A 37 -1.390 0.534 -7.606 1.00 0.00 C ATOM 593 O ILE A 37 -1.444 1.265 -8.622 1.00 0.00 O ATOM 594 CB ILE A 37 0.164 1.632 -6.056 1.00 0.00 C ATOM 595 CG1 ILE A 37 1.133 1.318 -4.921 1.00 0.00 C ATOM 596 CG2 ILE A 37 -1.129 2.325 -5.526 1.00 0.00 C ATOM 597 CD1 ILE A 37 0.474 0.777 -3.647 1.00 0.00 C ATOM 0 H ILE A 37 1.166 0.848 -8.379 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.214 -0.479 -6.157 1.00 0.00 H new ATOM 0 HB ILE A 37 0.633 2.345 -6.734 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.861 0.588 -5.275 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.685 2.224 -4.672 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.859 3.221 -4.967 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.765 2.600 -6.367 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.668 1.639 -4.873 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.239 0.583 -2.896 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.233 1.512 -3.263 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.054 -0.149 -3.875 1.00 0.00 H new ATOM 609 N LEU A 38 -2.376 -0.122 -7.123 1.00 0.00 N ATOM 610 CA LEU A 38 -3.669 0.015 -7.666 1.00 0.00 C ATOM 611 C LEU A 38 -4.492 0.765 -6.644 1.00 0.00 C ATOM 612 O LEU A 38 -4.462 0.451 -5.471 1.00 0.00 O ATOM 613 CB LEU A 38 -4.319 -1.377 -7.891 1.00 0.00 C ATOM 614 CG LEU A 38 -3.748 -2.340 -8.961 1.00 0.00 C ATOM 615 CD1 LEU A 38 -3.862 -1.758 -10.333 1.00 0.00 C ATOM 616 CD2 LEU A 38 -2.320 -2.779 -8.665 1.00 0.00 C ATOM 0 H LEU A 38 -2.308 -0.770 -6.338 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.621 0.534 -8.623 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.294 -1.903 -6.937 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.368 -1.208 -8.135 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.361 -3.240 -8.920 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.452 -2.459 -11.061 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.911 -1.569 -10.562 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.306 -0.822 -10.378 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.976 -3.452 -9.450 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.671 -1.904 -8.627 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.290 -3.295 -7.705 1.00 0.00 H new ATOM 628 N LYS A 39 -5.191 1.749 -7.083 1.00 0.00 N ATOM 629 CA LYS A 39 -6.115 2.472 -6.230 1.00 0.00 C ATOM 630 C LYS A 39 -7.521 2.291 -6.758 1.00 0.00 C ATOM 631 O LYS A 39 -7.773 2.574 -7.937 1.00 0.00 O ATOM 632 CB LYS A 39 -5.788 3.985 -6.115 1.00 0.00 C ATOM 633 CG LYS A 39 -4.528 4.356 -5.306 1.00 0.00 C ATOM 634 CD LYS A 39 -4.617 5.826 -4.868 1.00 0.00 C ATOM 635 CE LYS A 39 -3.552 6.243 -3.833 1.00 0.00 C ATOM 636 NZ LYS A 39 -2.203 6.476 -4.402 1.00 0.00 N ATOM 0 H LYS A 39 -5.151 2.090 -8.043 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.020 2.057 -5.226 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.678 4.388 -7.122 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.644 4.486 -5.663 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.440 3.710 -4.433 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.635 4.199 -5.911 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.521 6.462 -5.748 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.606 6.009 -4.449 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.885 7.153 -3.334 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.482 5.468 -3.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.556 5.730 -4.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.257 6.460 -5.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.849 7.402 -4.088 1.00 0.00 H new ATOM 650 N ASN A 40 -8.425 1.762 -5.923 1.00 0.00 N ATOM 651 CA ASN A 40 -9.805 1.551 -6.341 1.00 0.00 C ATOM 652 C ASN A 40 -10.540 2.839 -6.615 1.00 0.00 C ATOM 653 O ASN A 40 -10.352 3.843 -5.918 1.00 0.00 O ATOM 654 CB ASN A 40 -10.609 0.732 -5.314 1.00 0.00 C ATOM 655 CG ASN A 40 -10.351 -0.759 -5.381 1.00 0.00 C ATOM 656 OD1 ASN A 40 -9.488 -1.292 -4.704 1.00 0.00 O ATOM 657 ND2 ASN A 40 -11.105 -1.431 -6.195 1.00 0.00 N ATOM 0 H ASN A 40 -8.223 1.477 -4.965 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.730 0.988 -7.271 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -10.369 1.088 -4.312 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -11.672 0.914 -5.471 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.986 -2.440 -6.285 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -11.817 -0.950 -6.745 1.00 0.00 H new ATOM 664 N GLU A 41 -11.400 2.797 -7.613 1.00 0.00 N ATOM 665 CA GLU A 41 -12.262 3.819 -7.967 1.00 0.00 C ATOM 666 C GLU A 41 -13.413 3.844 -6.967 1.00 0.00 C ATOM 667 O GLU A 41 -14.131 4.832 -6.846 1.00 0.00 O ATOM 668 CB GLU A 41 -12.764 3.490 -9.340 1.00 0.00 C ATOM 669 CG GLU A 41 -11.802 3.798 -10.477 1.00 0.00 C ATOM 670 CD GLU A 41 -11.534 5.273 -10.636 1.00 0.00 C ATOM 671 OE1 GLU A 41 -10.598 5.790 -10.014 1.00 0.00 O ATOM 672 OE2 GLU A 41 -12.268 5.954 -11.399 1.00 0.00 O ATOM 0 H GLU A 41 -11.492 1.978 -8.215 1.00 0.00 H new ATOM 0 HA GLU A 41 -11.778 4.796 -7.962 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -13.012 2.429 -9.373 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -13.690 4.039 -9.511 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.860 3.280 -10.299 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.211 3.406 -11.408 1.00 0.00 H new ATOM 679 N VAL A 42 -13.561 2.738 -6.228 1.00 0.00 N ATOM 680 CA VAL A 42 -14.482 2.601 -5.177 1.00 0.00 C ATOM 681 C VAL A 42 -14.011 3.482 -4.025 1.00 0.00 C ATOM 682 O VAL A 42 -14.814 3.958 -3.220 1.00 0.00 O ATOM 683 CB VAL A 42 -14.471 1.107 -4.745 1.00 0.00 C ATOM 684 CG1 VAL A 42 -15.024 0.919 -3.390 1.00 0.00 C ATOM 685 CG2 VAL A 42 -15.223 0.236 -5.725 1.00 0.00 C ATOM 0 H VAL A 42 -13.002 1.899 -6.381 1.00 0.00 H new ATOM 0 HA VAL A 42 -15.489 2.897 -5.472 1.00 0.00 H new ATOM 0 HB VAL A 42 -13.425 0.801 -4.736 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.997 -0.139 -3.130 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.429 1.485 -2.673 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -16.055 1.272 -3.365 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.193 -0.800 -5.388 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.260 0.568 -5.786 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.760 0.312 -6.709 1.00 0.00 H new ATOM 695 N ASN A 43 -12.681 3.733 -4.022 1.00 0.00 N ATOM 696 CA ASN A 43 -11.980 4.457 -2.972 1.00 0.00 C ATOM 697 C ASN A 43 -12.030 3.590 -1.711 1.00 0.00 C ATOM 698 O ASN A 43 -11.924 4.045 -0.586 1.00 0.00 O ATOM 699 CB ASN A 43 -12.621 5.861 -2.830 1.00 0.00 C ATOM 700 CG ASN A 43 -12.085 6.751 -1.710 1.00 0.00 C ATOM 701 OD1 ASN A 43 -12.595 6.752 -0.595 1.00 0.00 O ATOM 702 ND2 ASN A 43 -11.079 7.532 -2.007 1.00 0.00 N ATOM 0 H ASN A 43 -12.064 3.424 -4.774 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.928 4.636 -3.192 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.494 6.390 -3.775 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -13.693 5.732 -2.678 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.698 8.164 -1.302 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.675 7.509 -2.943 1.00 0.00 H new ATOM 709 N GLY A 44 -12.094 2.280 -1.961 1.00 0.00 N ATOM 710 CA GLY A 44 -12.223 1.322 -0.883 1.00 0.00 C ATOM 711 C GLY A 44 -10.902 1.068 -0.227 1.00 0.00 C ATOM 712 O GLY A 44 -10.648 1.515 0.891 1.00 0.00 O ATOM 0 H GLY A 44 -12.058 1.870 -2.894 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.934 1.694 -0.145 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.626 0.386 -1.270 1.00 0.00 H new ATOM 716 N LYS A 45 -10.059 0.371 -0.921 1.00 0.00 N ATOM 717 CA LYS A 45 -8.739 0.084 -0.479 1.00 0.00 C ATOM 718 C LYS A 45 -7.867 0.268 -1.661 1.00 0.00 C ATOM 719 O LYS A 45 -8.365 0.411 -2.787 1.00 0.00 O ATOM 720 CB LYS A 45 -8.604 -1.366 0.011 1.00 0.00 C ATOM 721 CG LYS A 45 -9.477 -1.732 1.201 1.00 0.00 C ATOM 722 CD LYS A 45 -9.237 -3.166 1.677 1.00 0.00 C ATOM 723 CE LYS A 45 -9.531 -4.209 0.597 1.00 0.00 C ATOM 724 NZ LYS A 45 -10.915 -4.153 0.094 1.00 0.00 N ATOM 0 H LYS A 45 -10.280 -0.023 -1.835 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.474 0.735 0.354 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.844 -2.035 -0.815 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.562 -1.548 0.276 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.279 -1.041 2.021 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.526 -1.612 0.930 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.201 -3.267 2.000 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.863 -3.364 2.547 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.843 -4.063 -0.236 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.338 -5.203 1.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.075 -4.936 -0.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.578 -4.235 0.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.071 -3.248 -0.394 1.00 0.00 H new ATOM 738 N LEU A 46 -6.614 0.321 -1.448 1.00 0.00 N ATOM 739 CA LEU A 46 -5.708 0.403 -2.473 1.00 0.00 C ATOM 740 C LEU A 46 -4.870 -0.846 -2.374 1.00 0.00 C ATOM 741 O LEU A 46 -4.800 -1.451 -1.316 1.00 0.00 O ATOM 742 CB LEU A 46 -4.824 1.622 -2.325 1.00 0.00 C ATOM 743 CG LEU A 46 -5.453 2.999 -1.907 1.00 0.00 C ATOM 744 CD1 LEU A 46 -6.704 3.342 -2.701 1.00 0.00 C ATOM 745 CD2 LEU A 46 -5.698 3.109 -0.402 1.00 0.00 C ATOM 0 H LEU A 46 -6.195 0.307 -0.518 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.214 0.490 -3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.057 1.379 -1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.317 1.773 -3.278 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.701 3.747 -2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.094 4.304 -2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.458 3.397 -3.761 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.458 2.571 -2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.133 4.082 -0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.383 2.322 -0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.752 3.001 0.129 1.00 0.00 H new ATOM 757 N ARG A 47 -4.291 -1.256 -3.432 1.00 0.00 N ATOM 758 CA ARG A 47 -3.468 -2.457 -3.413 1.00 0.00 C ATOM 759 C ARG A 47 -2.105 -2.086 -3.830 1.00 0.00 C ATOM 760 O ARG A 47 -1.896 -1.164 -4.608 1.00 0.00 O ATOM 761 CB ARG A 47 -3.887 -3.530 -4.400 1.00 0.00 C ATOM 762 CG ARG A 47 -5.322 -3.399 -4.937 1.00 0.00 C ATOM 763 CD ARG A 47 -5.805 -4.648 -5.694 1.00 0.00 C ATOM 764 NE ARG A 47 -4.934 -5.059 -6.806 1.00 0.00 N ATOM 765 CZ ARG A 47 -5.364 -5.585 -7.971 1.00 0.00 C ATOM 766 NH1 ARG A 47 -6.666 -5.696 -8.223 1.00 0.00 N ATOM 767 NH2 ARG A 47 -4.489 -5.988 -8.885 1.00 0.00 N ATOM 0 H ARG A 47 -4.355 -0.795 -4.340 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.558 -2.852 -2.401 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.197 -3.515 -5.244 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.783 -4.503 -3.921 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.998 -3.203 -4.104 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.377 -2.536 -5.601 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.889 -5.475 -4.989 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.805 -4.458 -6.083 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.928 -4.937 -6.687 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.348 -5.382 -7.532 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.982 -6.095 -9.107 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.489 -5.900 -8.707 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.817 -6.385 -9.765 1.00 0.00 H new ATOM 781 N MET A 48 -1.237 -2.829 -3.367 1.00 0.00 N ATOM 782 CA MET A 48 0.117 -2.739 -3.605 1.00 0.00 C ATOM 783 C MET A 48 0.507 -4.099 -4.122 1.00 0.00 C ATOM 784 O MET A 48 0.399 -5.089 -3.410 1.00 0.00 O ATOM 785 CB MET A 48 0.786 -2.576 -2.227 1.00 0.00 C ATOM 786 CG MET A 48 2.143 -1.991 -2.257 1.00 0.00 C ATOM 787 SD MET A 48 3.121 -2.318 -0.795 1.00 0.00 S ATOM 788 CE MET A 48 4.610 -1.432 -1.247 1.00 0.00 C ATOM 0 H MET A 48 -1.470 -3.602 -2.744 1.00 0.00 H new ATOM 0 HA MET A 48 0.388 -1.931 -4.284 1.00 0.00 H new ATOM 0 HB2 MET A 48 0.150 -1.948 -1.603 1.00 0.00 H new ATOM 0 HB3 MET A 48 0.838 -3.553 -1.747 1.00 0.00 H new ATOM 0 HG2 MET A 48 2.673 -2.377 -3.128 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.058 -0.912 -2.389 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.390 -2.144 -1.516 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.403 -0.783 -2.098 1.00 0.00 H new ATOM 0 HE3 MET A 48 4.945 -0.829 -0.403 1.00 0.00 H new ATOM 798 N LEU A 49 0.941 -4.156 -5.303 1.00 0.00 N ATOM 799 CA LEU A 49 1.509 -5.400 -5.812 1.00 0.00 C ATOM 800 C LEU A 49 2.838 -5.246 -6.429 1.00 0.00 C ATOM 801 O LEU A 49 3.176 -4.207 -6.943 1.00 0.00 O ATOM 802 CB LEU A 49 0.615 -6.183 -6.722 1.00 0.00 C ATOM 803 CG LEU A 49 0.143 -5.551 -8.067 1.00 0.00 C ATOM 804 CD1 LEU A 49 1.214 -5.583 -9.156 1.00 0.00 C ATOM 805 CD2 LEU A 49 -1.121 -6.228 -8.550 1.00 0.00 C ATOM 0 H LEU A 49 0.932 -3.380 -5.965 1.00 0.00 H new ATOM 0 HA LEU A 49 1.623 -5.984 -4.899 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.128 -7.114 -6.961 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.277 -6.447 -6.155 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.060 -4.500 -7.863 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.822 -5.128 -10.066 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.090 -5.027 -8.821 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.496 -6.616 -9.359 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.439 -5.777 -9.490 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.929 -7.290 -8.704 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.907 -6.106 -7.805 1.00 0.00 H new ATOM 817 N MET A 50 3.594 -6.287 -6.393 1.00 0.00 N ATOM 818 CA MET A 50 4.828 -6.309 -6.892 1.00 0.00 C ATOM 819 C MET A 50 5.063 -7.594 -7.557 1.00 0.00 C ATOM 820 O MET A 50 4.770 -8.689 -7.054 1.00 0.00 O ATOM 821 CB MET A 50 5.838 -6.003 -5.869 1.00 0.00 C ATOM 822 CG MET A 50 5.710 -6.815 -4.606 1.00 0.00 C ATOM 823 SD MET A 50 6.401 -5.980 -3.179 1.00 0.00 S ATOM 824 CE MET A 50 5.323 -4.572 -3.040 1.00 0.00 C ATOM 0 H MET A 50 3.304 -7.173 -5.979 1.00 0.00 H new ATOM 0 HA MET A 50 4.924 -5.521 -7.638 1.00 0.00 H new ATOM 0 HB2 MET A 50 6.829 -6.167 -6.293 1.00 0.00 H new ATOM 0 HB3 MET A 50 5.771 -4.945 -5.615 1.00 0.00 H new ATOM 0 HG2 MET A 50 4.658 -7.031 -4.422 1.00 0.00 H new ATOM 0 HG3 MET A 50 6.213 -7.773 -4.741 1.00 0.00 H new ATOM 0 HE1 MET A 50 5.894 -3.659 -3.206 1.00 0.00 H new ATOM 0 HE2 MET A 50 4.531 -4.645 -3.785 1.00 0.00 H new ATOM 0 HE3 MET A 50 4.883 -4.548 -2.043 1.00 0.00 H new ATOM 834 N ARG A 51 5.475 -7.409 -8.663 1.00 0.00 N ATOM 835 CA ARG A 51 5.842 -8.388 -9.643 1.00 0.00 C ATOM 836 C ARG A 51 7.308 -8.441 -9.695 1.00 0.00 C ATOM 837 O ARG A 51 7.988 -7.435 -9.528 1.00 0.00 O ATOM 838 CB ARG A 51 5.340 -7.932 -10.994 1.00 0.00 C ATOM 839 CG ARG A 51 5.669 -8.778 -12.206 1.00 0.00 C ATOM 840 CD ARG A 51 5.440 -8.030 -13.515 1.00 0.00 C ATOM 841 NE ARG A 51 6.523 -7.076 -13.826 1.00 0.00 N ATOM 842 CZ ARG A 51 6.856 -6.695 -15.074 1.00 0.00 C ATOM 843 NH1 ARG A 51 6.117 -7.089 -16.110 1.00 0.00 N ATOM 844 NH2 ARG A 51 7.909 -5.904 -15.283 1.00 0.00 N ATOM 0 H ARG A 51 5.606 -6.462 -9.017 1.00 0.00 H new ATOM 0 HA ARG A 51 5.421 -9.361 -9.391 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.255 -7.846 -10.934 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.730 -6.930 -11.172 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.709 -9.098 -12.151 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.057 -9.680 -12.194 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.351 -8.750 -14.329 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.493 -7.493 -13.460 1.00 0.00 H new ATOM 0 HE ARG A 51 7.051 -6.681 -13.048 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.299 -7.679 -15.958 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.369 -6.800 -17.055 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.470 -5.582 -14.494 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.154 -5.621 -16.232 1.00 0.00 H new ATOM 858 N ARG A 52 7.778 -9.581 -9.965 1.00 0.00 N ATOM 859 CA ARG A 52 9.121 -9.797 -10.119 1.00 0.00 C ATOM 860 C ARG A 52 9.386 -9.375 -11.508 1.00 0.00 C ATOM 861 O ARG A 52 8.733 -9.813 -12.428 1.00 0.00 O ATOM 862 CB ARG A 52 9.471 -11.250 -9.833 1.00 0.00 C ATOM 863 CG ARG A 52 9.305 -11.713 -8.383 1.00 0.00 C ATOM 864 CD ARG A 52 9.659 -13.204 -8.263 1.00 0.00 C ATOM 865 NE ARG A 52 9.601 -13.736 -6.886 1.00 0.00 N ATOM 866 CZ ARG A 52 9.809 -15.036 -6.554 1.00 0.00 C ATOM 867 NH1 ARG A 52 9.973 -15.960 -7.503 1.00 0.00 N ATOM 868 NH2 ARG A 52 9.820 -15.403 -5.281 1.00 0.00 N ATOM 0 H ARG A 52 7.204 -10.415 -10.087 1.00 0.00 H new ATOM 0 HA ARG A 52 9.744 -9.239 -9.420 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.851 -11.883 -10.468 1.00 0.00 H new ATOM 0 HB3 ARG A 52 10.506 -11.418 -10.130 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.948 -11.124 -7.729 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.279 -11.547 -8.055 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.977 -13.778 -8.890 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.663 -13.359 -8.658 1.00 0.00 H new ATOM 0 HE ARG A 52 9.390 -13.081 -6.133 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.943 -15.692 -8.487 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.129 -16.934 -7.245 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.672 -14.709 -4.549 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.976 -16.380 -5.033 1.00 0.00 H new ATOM 882 N GLU A 53 10.276 -8.477 -11.605 1.00 0.00 N ATOM 883 CA GLU A 53 10.643 -7.761 -12.833 1.00 0.00 C ATOM 884 C GLU A 53 10.902 -8.613 -13.979 1.00 0.00 C ATOM 885 O GLU A 53 10.088 -8.663 -14.908 1.00 0.00 O ATOM 886 CB GLU A 53 11.773 -6.790 -12.558 1.00 0.00 C ATOM 887 CG GLU A 53 11.344 -5.380 -12.260 1.00 0.00 C ATOM 888 CD GLU A 53 10.842 -4.670 -13.467 1.00 0.00 C ATOM 889 OE1 GLU A 53 11.674 -4.094 -14.214 1.00 0.00 O ATOM 890 OE2 GLU A 53 9.627 -4.662 -13.701 1.00 0.00 O ATOM 0 H GLU A 53 10.825 -8.175 -10.800 1.00 0.00 H new ATOM 0 HA GLU A 53 9.761 -7.194 -13.132 1.00 0.00 H new ATOM 0 HB2 GLU A 53 12.354 -7.162 -11.714 1.00 0.00 H new ATOM 0 HB3 GLU A 53 12.438 -6.776 -13.422 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.563 -5.394 -11.500 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.186 -4.828 -11.842 1.00 0.00 H new ATOM 897 N GLN A 54 11.952 -9.308 -13.947 1.00 0.00 N ATOM 898 CA GLN A 54 12.289 -10.038 -15.096 1.00 0.00 C ATOM 899 C GLN A 54 11.472 -11.358 -15.088 1.00 0.00 C ATOM 900 O GLN A 54 11.344 -12.053 -16.084 1.00 0.00 O ATOM 901 CB GLN A 54 13.805 -10.246 -15.143 1.00 0.00 C ATOM 902 CG GLN A 54 14.471 -10.306 -16.527 1.00 0.00 C ATOM 903 CD GLN A 54 14.070 -11.483 -17.383 1.00 0.00 C ATOM 904 OE1 GLN A 54 14.670 -12.551 -17.288 1.00 0.00 O ATOM 905 NE2 GLN A 54 13.150 -11.281 -18.277 1.00 0.00 N ATOM 0 H GLN A 54 12.590 -9.393 -13.156 1.00 0.00 H new ATOM 0 HA GLN A 54 12.032 -9.502 -16.010 1.00 0.00 H new ATOM 0 HB2 GLN A 54 14.273 -9.439 -14.579 1.00 0.00 H new ATOM 0 HB3 GLN A 54 14.033 -11.174 -14.619 1.00 0.00 H new ATOM 0 HG2 GLN A 54 14.235 -9.388 -17.066 1.00 0.00 H new ATOM 0 HG3 GLN A 54 15.552 -10.327 -16.392 1.00 0.00 H new ATOM 0 HE21 GLN A 54 12.674 -10.380 -18.324 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.903 -12.023 -18.932 1.00 0.00 H new ATOM 914 N VAL A 55 10.882 -11.639 -13.948 1.00 0.00 N ATOM 915 CA VAL A 55 10.131 -12.829 -13.731 1.00 0.00 C ATOM 916 C VAL A 55 8.631 -12.666 -14.160 1.00 0.00 C ATOM 917 O VAL A 55 7.875 -13.646 -14.213 1.00 0.00 O ATOM 918 CB VAL A 55 10.260 -13.112 -12.207 1.00 0.00 C ATOM 919 CG1 VAL A 55 9.230 -14.092 -11.699 1.00 0.00 C ATOM 920 CG2 VAL A 55 11.657 -13.624 -11.887 1.00 0.00 C ATOM 0 H VAL A 55 10.919 -11.024 -13.135 1.00 0.00 H new ATOM 0 HA VAL A 55 10.508 -13.655 -14.335 1.00 0.00 H new ATOM 0 HB VAL A 55 10.080 -12.166 -11.697 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.372 -14.248 -10.630 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.231 -13.695 -11.878 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.342 -15.042 -12.222 1.00 0.00 H new ATOM 0 HG21 VAL A 55 11.737 -13.819 -10.818 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.842 -14.546 -12.439 1.00 0.00 H new ATOM 0 HG23 VAL A 55 12.394 -12.874 -12.175 1.00 0.00 H new ATOM 930 N LEU A 56 8.264 -11.439 -14.565 1.00 0.00 N ATOM 931 CA LEU A 56 6.983 -11.021 -15.084 1.00 0.00 C ATOM 932 C LEU A 56 5.754 -11.410 -14.192 1.00 0.00 C ATOM 933 O LEU A 56 4.585 -11.149 -14.523 1.00 0.00 O ATOM 934 CB LEU A 56 6.918 -11.762 -16.347 1.00 0.00 C ATOM 935 CG LEU A 56 5.628 -11.753 -17.039 1.00 0.00 C ATOM 936 CD1 LEU A 56 5.304 -10.385 -17.647 1.00 0.00 C ATOM 937 CD2 LEU A 56 5.446 -12.907 -17.998 1.00 0.00 C ATOM 0 H LEU A 56 8.922 -10.661 -14.528 1.00 0.00 H new ATOM 0 HA LEU A 56 6.922 -9.935 -15.154 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.671 -11.355 -17.022 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.193 -12.798 -16.150 1.00 0.00 H new ATOM 0 HG LEU A 56 4.873 -11.923 -16.271 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.338 -10.430 -18.149 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.268 -9.635 -16.857 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.075 -10.115 -18.368 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.468 -12.834 -18.473 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.224 -12.872 -18.761 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.515 -13.848 -17.452 1.00 0.00 H new ATOM 949 N LYS A 57 6.009 -11.845 -13.050 1.00 0.00 N ATOM 950 CA LYS A 57 4.943 -12.261 -12.211 1.00 0.00 C ATOM 951 C LYS A 57 4.829 -11.605 -10.814 1.00 0.00 C ATOM 952 O LYS A 57 5.685 -11.807 -9.947 1.00 0.00 O ATOM 953 CB LYS A 57 4.991 -13.752 -12.145 1.00 0.00 C ATOM 954 CG LYS A 57 3.847 -14.398 -11.365 1.00 0.00 C ATOM 955 CD LYS A 57 2.489 -14.185 -12.025 1.00 0.00 C ATOM 956 CE LYS A 57 1.352 -14.586 -11.090 1.00 0.00 C ATOM 957 NZ LYS A 57 1.471 -15.974 -10.598 1.00 0.00 N ATOM 0 H LYS A 57 6.943 -11.932 -12.650 1.00 0.00 H new ATOM 0 HA LYS A 57 4.024 -11.897 -12.671 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.987 -14.147 -13.161 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.936 -14.051 -11.691 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.036 -15.467 -11.270 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.824 -13.987 -10.356 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.379 -13.138 -12.307 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.432 -14.770 -12.943 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.332 -13.905 -10.239 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.402 -14.472 -11.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.607 -16.234 -10.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.599 -16.618 -11.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.291 -16.048 -9.963 1.00 0.00 H new ATOM 971 N VAL A 58 3.857 -10.687 -10.693 1.00 0.00 N ATOM 972 CA VAL A 58 3.228 -10.302 -9.405 1.00 0.00 C ATOM 973 C VAL A 58 3.151 -11.466 -8.408 1.00 0.00 C ATOM 974 O VAL A 58 2.625 -12.551 -8.700 1.00 0.00 O ATOM 975 CB VAL A 58 1.798 -9.711 -9.642 1.00 0.00 C ATOM 976 CG1 VAL A 58 0.888 -10.678 -10.388 1.00 0.00 C ATOM 977 CG2 VAL A 58 1.175 -9.302 -8.330 1.00 0.00 C ATOM 0 H VAL A 58 3.476 -10.181 -11.493 1.00 0.00 H new ATOM 0 HA VAL A 58 3.871 -9.540 -8.965 1.00 0.00 H new ATOM 0 HB VAL A 58 1.913 -8.830 -10.273 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.092 -10.221 -10.527 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.322 -10.909 -11.361 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.781 -11.596 -9.811 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.181 -8.893 -8.511 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.096 -10.172 -7.678 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.797 -8.545 -7.852 1.00 0.00 H new ATOM 987 N CYS A 59 3.705 -11.238 -7.257 1.00 0.00 N ATOM 988 CA CYS A 59 3.730 -12.220 -6.220 1.00 0.00 C ATOM 989 C CYS A 59 2.820 -11.831 -5.054 1.00 0.00 C ATOM 990 O CYS A 59 2.178 -12.691 -4.448 1.00 0.00 O ATOM 991 CB CYS A 59 5.156 -12.369 -5.717 1.00 0.00 C ATOM 992 SG CYS A 59 6.360 -12.744 -7.001 1.00 0.00 S ATOM 0 H CYS A 59 4.156 -10.357 -7.010 1.00 0.00 H new ATOM 0 HA CYS A 59 3.366 -13.162 -6.630 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.451 -11.446 -5.217 1.00 0.00 H new ATOM 0 HB3 CYS A 59 5.184 -13.160 -4.967 1.00 0.00 H new ATOM 0 HG CYS A 59 5.930 -12.296 -8.143 1.00 0.00 H new ATOM 998 N ALA A 60 2.693 -10.532 -4.790 1.00 0.00 N ATOM 999 CA ALA A 60 2.067 -10.076 -3.626 1.00 0.00 C ATOM 1000 C ALA A 60 1.213 -8.994 -3.951 1.00 0.00 C ATOM 1001 O ALA A 60 1.652 -8.017 -4.524 1.00 0.00 O ATOM 1002 CB ALA A 60 3.068 -9.546 -2.669 1.00 0.00 C ATOM 0 H ALA A 60 3.034 -9.791 -5.402 1.00 0.00 H new ATOM 0 HA ALA A 60 1.521 -10.912 -3.188 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.562 -9.196 -1.769 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.772 -10.335 -2.405 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.607 -8.717 -3.128 1.00 0.00 H new ATOM 1008 N ASN A 61 0.028 -9.168 -3.638 1.00 0.00 N ATOM 1009 CA ASN A 61 -0.918 -8.136 -3.717 1.00 0.00 C ATOM 1010 C ASN A 61 -1.410 -7.846 -2.360 1.00 0.00 C ATOM 1011 O ASN A 61 -2.222 -8.567 -1.800 1.00 0.00 O ATOM 1012 CB ASN A 61 -2.041 -8.456 -4.591 1.00 0.00 C ATOM 1013 CG ASN A 61 -3.000 -7.276 -4.745 1.00 0.00 C ATOM 1014 OD1 ASN A 61 -2.830 -6.429 -5.624 1.00 0.00 O ATOM 1015 ND2 ASN A 61 -3.993 -7.193 -3.875 1.00 0.00 N ATOM 0 H ASN A 61 -0.347 -10.056 -3.305 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.425 -7.266 -4.151 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.666 -8.749 -5.572 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.582 -9.312 -4.188 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -4.646 -6.411 -3.920 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -4.106 -7.911 -3.160 1.00 0.00 H new ATOM 1022 N HIS A 62 -0.874 -6.851 -1.838 1.00 0.00 N ATOM 1023 CA HIS A 62 -1.201 -6.370 -0.518 1.00 0.00 C ATOM 1024 C HIS A 62 -2.119 -5.189 -0.622 1.00 0.00 C ATOM 1025 O HIS A 62 -1.843 -4.284 -1.336 1.00 0.00 O ATOM 1026 CB HIS A 62 0.069 -5.893 0.206 1.00 0.00 C ATOM 1027 CG HIS A 62 1.031 -6.950 0.553 1.00 0.00 C ATOM 1028 ND1 HIS A 62 1.219 -7.399 1.822 1.00 0.00 N ATOM 1029 CD2 HIS A 62 1.863 -7.645 -0.214 1.00 0.00 C ATOM 1030 CE1 HIS A 62 2.120 -8.329 1.826 1.00 0.00 C ATOM 1031 NE2 HIS A 62 2.538 -8.515 0.596 1.00 0.00 N ATOM 0 H HIS A 62 -0.158 -6.296 -2.307 1.00 0.00 H new ATOM 0 HA HIS A 62 -1.671 -7.186 0.030 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.572 -5.159 -0.424 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.226 -5.379 1.121 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.984 -7.542 -1.282 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.470 -8.863 2.697 1.00 0.00 H new ATOM 0 HE2 HIS A 62 3.242 -9.190 0.297 1.00 0.00 H new ATOM 1039 N TRP A 63 -3.199 -5.206 0.065 1.00 0.00 N ATOM 1040 CA TRP A 63 -4.005 -4.031 0.160 1.00 0.00 C ATOM 1041 C TRP A 63 -3.481 -3.136 1.247 1.00 0.00 C ATOM 1042 O TRP A 63 -3.352 -3.521 2.423 1.00 0.00 O ATOM 1043 CB TRP A 63 -5.462 -4.336 0.424 1.00 0.00 C ATOM 1044 CG TRP A 63 -6.170 -5.021 -0.712 1.00 0.00 C ATOM 1045 CD1 TRP A 63 -6.834 -4.407 -1.732 1.00 0.00 C ATOM 1046 CD2 TRP A 63 -6.301 -6.434 -0.944 1.00 0.00 C ATOM 1047 NE1 TRP A 63 -7.372 -5.338 -2.576 1.00 0.00 N ATOM 1048 CE2 TRP A 63 -7.059 -6.592 -2.120 1.00 0.00 C ATOM 1049 CE3 TRP A 63 -5.855 -7.576 -0.274 1.00 0.00 C ATOM 1050 CZ2 TRP A 63 -7.377 -7.845 -2.643 1.00 0.00 C ATOM 1051 CZ3 TRP A 63 -6.172 -8.819 -0.793 1.00 0.00 C ATOM 1052 CH2 TRP A 63 -6.927 -8.945 -1.964 1.00 0.00 C ATOM 0 H TRP A 63 -3.553 -6.017 0.573 1.00 0.00 H new ATOM 0 HA TRP A 63 -3.946 -3.532 -0.807 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -5.534 -4.964 1.312 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -5.980 -3.404 0.650 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.922 -3.338 -1.856 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -7.919 -5.132 -3.412 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -5.274 -7.490 0.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -7.956 -7.944 -3.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -5.830 -9.708 -0.285 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -7.160 -9.930 -2.340 1.00 0.00 H new ATOM 1063 N ILE A 64 -3.212 -1.955 0.831 1.00 0.00 N ATOM 1064 CA ILE A 64 -2.667 -0.915 1.602 1.00 0.00 C ATOM 1065 C ILE A 64 -3.850 -0.043 2.040 1.00 0.00 C ATOM 1066 O ILE A 64 -4.612 0.460 1.214 1.00 0.00 O ATOM 1067 CB ILE A 64 -1.503 -0.149 0.777 1.00 0.00 C ATOM 1068 CG1 ILE A 64 -1.186 1.274 1.305 1.00 0.00 C ATOM 1069 CG2 ILE A 64 -1.781 -0.129 -0.710 1.00 0.00 C ATOM 1070 CD1 ILE A 64 -2.182 2.326 0.886 1.00 0.00 C ATOM 0 H ILE A 64 -3.383 -1.674 -0.135 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.156 -1.265 2.499 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.603 -0.739 0.948 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.143 1.244 2.394 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.196 1.567 0.955 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.975 0.395 -1.224 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.845 -1.152 -1.082 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.724 0.384 -0.897 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.886 3.291 1.297 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.210 2.388 -0.202 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.171 2.060 1.259 1.00 0.00 H new ATOM 1082 N THR A 65 -4.082 -0.026 3.317 1.00 0.00 N ATOM 1083 CA THR A 65 -5.195 0.674 3.906 1.00 0.00 C ATOM 1084 C THR A 65 -4.807 1.254 5.241 1.00 0.00 C ATOM 1085 O THR A 65 -3.811 0.851 5.826 1.00 0.00 O ATOM 1086 CB THR A 65 -6.442 -0.276 4.022 1.00 0.00 C ATOM 1087 OG1 THR A 65 -7.512 0.294 4.801 1.00 0.00 O ATOM 1088 CG2 THR A 65 -6.066 -1.649 4.575 1.00 0.00 C ATOM 0 H THR A 65 -3.494 -0.507 3.998 1.00 0.00 H new ATOM 0 HA THR A 65 -5.474 1.504 3.257 1.00 0.00 H new ATOM 0 HB THR A 65 -6.807 -0.400 3.003 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.191 -0.391 4.974 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.958 -2.272 4.638 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.339 -2.121 3.914 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.632 -1.535 5.568 1.00 0.00 H new ATOM 1096 N THR A 66 -5.637 2.141 5.733 1.00 0.00 N ATOM 1097 CA THR A 66 -5.499 2.769 7.034 1.00 0.00 C ATOM 1098 C THR A 66 -5.885 1.792 8.128 1.00 0.00 C ATOM 1099 O THR A 66 -5.672 2.028 9.316 1.00 0.00 O ATOM 1100 CB THR A 66 -6.438 3.933 7.118 1.00 0.00 C ATOM 1101 OG1 THR A 66 -7.752 3.514 6.728 1.00 0.00 O ATOM 1102 CG2 THR A 66 -6.008 5.005 6.230 1.00 0.00 C ATOM 0 H THR A 66 -6.460 2.461 5.222 1.00 0.00 H new ATOM 0 HA THR A 66 -4.464 3.087 7.160 1.00 0.00 H new ATOM 0 HB THR A 66 -6.444 4.298 8.145 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.368 4.274 6.784 1.00 0.00 H new ATOM 0 HG21 THR A 66 -6.703 5.841 6.306 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.010 5.336 6.516 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.989 4.641 5.203 1.00 0.00 H new ATOM 1110 N THR A 67 -6.414 0.680 7.682 1.00 0.00 N ATOM 1111 CA THR A 67 -6.874 -0.393 8.501 1.00 0.00 C ATOM 1112 C THR A 67 -5.650 -1.261 8.860 1.00 0.00 C ATOM 1113 O THR A 67 -5.714 -2.251 9.605 1.00 0.00 O ATOM 1114 CB THR A 67 -7.912 -1.182 7.653 1.00 0.00 C ATOM 1115 OG1 THR A 67 -8.950 -0.273 7.222 1.00 0.00 O ATOM 1116 CG2 THR A 67 -8.525 -2.345 8.406 1.00 0.00 C ATOM 0 H THR A 67 -6.538 0.498 6.686 1.00 0.00 H new ATOM 0 HA THR A 67 -7.343 -0.061 9.428 1.00 0.00 H new ATOM 0 HB THR A 67 -7.388 -1.606 6.797 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.609 -0.760 6.685 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.241 -2.857 7.764 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.740 -3.041 8.702 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.035 -1.974 9.295 1.00 0.00 H new ATOM 1124 N MET A 68 -4.533 -0.831 8.345 1.00 0.00 N ATOM 1125 CA MET A 68 -3.332 -1.415 8.486 1.00 0.00 C ATOM 1126 C MET A 68 -2.331 -0.304 8.733 1.00 0.00 C ATOM 1127 O MET A 68 -2.594 0.873 8.464 1.00 0.00 O ATOM 1128 CB MET A 68 -3.057 -2.162 7.224 1.00 0.00 C ATOM 1129 CG MET A 68 -1.707 -2.802 7.151 1.00 0.00 C ATOM 1130 SD MET A 68 -0.436 -1.744 6.432 1.00 0.00 S ATOM 1131 CE MET A 68 -1.005 -1.555 4.749 1.00 0.00 C ATOM 0 H MET A 68 -4.492 0.014 7.775 1.00 0.00 H new ATOM 0 HA MET A 68 -3.280 -2.119 9.317 1.00 0.00 H new ATOM 0 HB2 MET A 68 -3.816 -2.935 7.104 1.00 0.00 H new ATOM 0 HB3 MET A 68 -3.164 -1.477 6.383 1.00 0.00 H new ATOM 0 HG2 MET A 68 -1.399 -3.093 8.155 1.00 0.00 H new ATOM 0 HG3 MET A 68 -1.780 -3.717 6.563 1.00 0.00 H new ATOM 0 HE1 MET A 68 -0.170 -1.703 4.064 1.00 0.00 H new ATOM 0 HE2 MET A 68 -1.780 -2.293 4.542 1.00 0.00 H new ATOM 0 HE3 MET A 68 -1.413 -0.553 4.613 1.00 0.00 H new ATOM 1141 N ASN A 69 -1.249 -0.685 9.228 1.00 0.00 N ATOM 1142 CA ASN A 69 -0.204 0.175 9.649 1.00 0.00 C ATOM 1143 C ASN A 69 1.162 -0.408 9.295 1.00 0.00 C ATOM 1144 O ASN A 69 1.390 -1.613 9.451 1.00 0.00 O ATOM 1145 CB ASN A 69 -0.334 0.295 11.141 1.00 0.00 C ATOM 1146 CG ASN A 69 0.788 1.058 11.812 1.00 0.00 C ATOM 1147 OD1 ASN A 69 0.769 2.289 11.861 1.00 0.00 O ATOM 1148 ND2 ASN A 69 1.720 0.352 12.410 1.00 0.00 N ATOM 0 H ASN A 69 -1.032 -1.672 9.370 1.00 0.00 H new ATOM 0 HA ASN A 69 -0.280 1.143 9.154 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.279 0.787 11.372 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -0.382 -0.706 11.570 1.00 0.00 H new ATOM 0 HD21 ASN A 69 2.458 0.822 12.935 1.00 0.00 H new ATOM 0 HD22 ASN A 69 1.706 -0.666 12.349 1.00 0.00 H new ATOM 1155 N LEU A 70 2.036 0.446 8.824 1.00 0.00 N ATOM 1156 CA LEU A 70 3.351 0.172 8.555 1.00 0.00 C ATOM 1157 C LEU A 70 4.216 0.409 9.772 1.00 0.00 C ATOM 1158 O LEU A 70 4.035 1.351 10.551 1.00 0.00 O ATOM 1159 CB LEU A 70 3.806 0.871 7.282 1.00 0.00 C ATOM 1160 CG LEU A 70 3.496 2.346 7.058 1.00 0.00 C ATOM 1161 CD1 LEU A 70 4.037 3.172 8.164 1.00 0.00 C ATOM 1162 CD2 LEU A 70 4.155 2.719 5.783 1.00 0.00 C ATOM 0 H LEU A 70 1.788 1.413 8.617 1.00 0.00 H new ATOM 0 HA LEU A 70 3.467 -0.890 8.340 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.888 0.757 7.221 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.380 0.321 6.443 1.00 0.00 H new ATOM 0 HG LEU A 70 2.420 2.515 7.023 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.804 4.221 7.982 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.588 2.858 9.106 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.118 3.045 8.218 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.966 3.771 5.570 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.229 2.553 5.866 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.755 2.108 4.974 1.00 0.00 H new ATOM 1174 N LYS A 71 5.034 -0.489 9.958 1.00 0.00 N ATOM 1175 CA LYS A 71 5.917 -0.596 11.106 1.00 0.00 C ATOM 1176 C LYS A 71 7.339 -0.874 10.604 1.00 0.00 C ATOM 1177 O LYS A 71 7.504 -1.639 9.681 1.00 0.00 O ATOM 1178 CB LYS A 71 5.394 -1.750 11.982 1.00 0.00 C ATOM 1179 CG LYS A 71 6.183 -2.045 13.241 1.00 0.00 C ATOM 1180 CD LYS A 71 5.528 -3.179 14.014 1.00 0.00 C ATOM 1181 CE LYS A 71 6.347 -3.599 15.221 1.00 0.00 C ATOM 1182 NZ LYS A 71 7.709 -4.044 14.842 1.00 0.00 N ATOM 0 H LYS A 71 5.158 -1.254 9.295 1.00 0.00 H new ATOM 0 HA LYS A 71 5.939 0.322 11.694 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.366 -1.525 12.267 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.366 -2.655 11.375 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.207 -2.314 12.983 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.236 -1.152 13.864 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.536 -2.868 14.341 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.392 -4.035 13.354 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.420 -2.764 15.918 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.834 -4.407 15.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.142 -4.554 15.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.651 -4.675 14.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.291 -3.216 14.604 1.00 0.00 H new ATOM 1196 N PRO A 72 8.373 -0.240 11.164 1.00 0.00 N ATOM 1197 CA PRO A 72 9.738 -0.420 10.679 1.00 0.00 C ATOM 1198 C PRO A 72 10.417 -1.665 11.256 1.00 0.00 C ATOM 1199 O PRO A 72 10.116 -2.094 12.384 1.00 0.00 O ATOM 1200 CB PRO A 72 10.439 0.845 11.167 1.00 0.00 C ATOM 1201 CG PRO A 72 9.738 1.202 12.438 1.00 0.00 C ATOM 1202 CD PRO A 72 8.315 0.700 12.307 1.00 0.00 C ATOM 0 HA PRO A 72 9.772 -0.566 9.599 1.00 0.00 H new ATOM 0 HB2 PRO A 72 11.501 0.669 11.337 1.00 0.00 H new ATOM 0 HB3 PRO A 72 10.363 1.648 10.434 1.00 0.00 H new ATOM 0 HG2 PRO A 72 10.233 0.744 13.294 1.00 0.00 H new ATOM 0 HG3 PRO A 72 9.755 2.280 12.599 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.982 0.202 13.217 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.619 1.517 12.117 1.00 0.00 H new ATOM 1210 N LEU A 73 11.302 -2.260 10.475 1.00 0.00 N ATOM 1211 CA LEU A 73 12.088 -3.342 10.898 1.00 0.00 C ATOM 1212 C LEU A 73 13.376 -2.835 11.509 1.00 0.00 C ATOM 1213 O LEU A 73 13.586 -1.624 11.642 1.00 0.00 O ATOM 1214 CB LEU A 73 12.434 -4.243 9.719 1.00 0.00 C ATOM 1215 CG LEU A 73 12.535 -3.638 8.314 1.00 0.00 C ATOM 1216 CD1 LEU A 73 13.564 -4.406 7.498 1.00 0.00 C ATOM 1217 CD2 LEU A 73 11.203 -3.756 7.607 1.00 0.00 C ATOM 0 H LEU A 73 11.477 -1.977 9.511 1.00 0.00 H new ATOM 0 HA LEU A 73 11.519 -3.908 11.636 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.390 -4.718 9.940 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.685 -5.034 9.681 1.00 0.00 H new ATOM 0 HG LEU A 73 12.824 -2.591 8.407 1.00 0.00 H new ATOM 0 HD11 LEU A 73 13.633 -3.973 6.500 1.00 0.00 H new ATOM 0 HD12 LEU A 73 14.536 -4.345 7.988 1.00 0.00 H new ATOM 0 HD13 LEU A 73 13.261 -5.450 7.421 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.281 -3.324 6.609 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.925 -4.807 7.527 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.441 -3.222 8.175 1.00 0.00 H new ATOM 1229 N SER A 74 14.220 -3.744 11.893 1.00 0.00 N ATOM 1230 CA SER A 74 15.520 -3.395 12.351 1.00 0.00 C ATOM 1231 C SER A 74 16.467 -3.398 11.213 1.00 0.00 C ATOM 1232 O SER A 74 16.321 -4.185 10.279 1.00 0.00 O ATOM 1233 CB SER A 74 16.035 -4.391 13.344 1.00 0.00 C ATOM 1234 OG SER A 74 15.332 -4.323 14.579 1.00 0.00 O ATOM 0 H SER A 74 14.023 -4.745 11.896 1.00 0.00 H new ATOM 0 HA SER A 74 15.445 -2.410 12.813 1.00 0.00 H new ATOM 0 HB2 SER A 74 15.945 -5.395 12.930 1.00 0.00 H new ATOM 0 HB3 SER A 74 17.096 -4.212 13.520 1.00 0.00 H new ATOM 0 HG SER A 74 15.696 -4.989 15.200 1.00 0.00 H new ATOM 1240 N GLY A 75 17.406 -2.502 11.249 1.00 0.00 N ATOM 1241 CA GLY A 75 18.455 -2.560 10.305 1.00 0.00 C ATOM 1242 C GLY A 75 18.092 -1.954 8.954 1.00 0.00 C ATOM 1243 O GLY A 75 18.928 -1.864 8.054 1.00 0.00 O ATOM 0 H GLY A 75 17.459 -1.734 11.918 1.00 0.00 H new ATOM 0 HA2 GLY A 75 19.324 -2.038 10.707 1.00 0.00 H new ATOM 0 HA3 GLY A 75 18.746 -3.600 10.161 1.00 0.00 H new ATOM 1247 N SER A 76 16.869 -1.508 8.832 1.00 0.00 N ATOM 1248 CA SER A 76 16.369 -0.888 7.670 1.00 0.00 C ATOM 1249 C SER A 76 16.822 0.535 7.573 1.00 0.00 C ATOM 1250 O SER A 76 17.019 1.231 8.579 1.00 0.00 O ATOM 1251 CB SER A 76 14.876 -0.985 7.780 1.00 0.00 C ATOM 1252 OG SER A 76 14.468 -0.688 9.095 1.00 0.00 O ATOM 0 H SER A 76 16.179 -1.578 9.580 1.00 0.00 H new ATOM 0 HA SER A 76 16.736 -1.372 6.765 1.00 0.00 H new ATOM 0 HB2 SER A 76 14.406 -0.294 7.080 1.00 0.00 H new ATOM 0 HB3 SER A 76 14.548 -1.988 7.507 1.00 0.00 H new ATOM 0 HG SER A 76 13.493 -0.595 9.122 1.00 0.00 H new ATOM 1258 N ASP A 77 17.001 0.935 6.356 1.00 0.00 N ATOM 1259 CA ASP A 77 17.388 2.244 5.996 1.00 0.00 C ATOM 1260 C ASP A 77 16.179 3.024 6.095 1.00 0.00 C ATOM 1261 O ASP A 77 16.162 4.088 6.690 1.00 0.00 O ATOM 1262 CB ASP A 77 17.896 2.323 4.553 1.00 0.00 C ATOM 1263 CG ASP A 77 17.547 1.116 3.710 1.00 0.00 C ATOM 1264 OD1 ASP A 77 16.369 0.720 3.678 1.00 0.00 O ATOM 1265 OD2 ASP A 77 18.477 0.489 3.142 1.00 0.00 O ATOM 0 H ASP A 77 16.873 0.320 5.552 1.00 0.00 H new ATOM 0 HA ASP A 77 18.198 2.591 6.637 1.00 0.00 H new ATOM 0 HB2 ASP A 77 17.482 3.214 4.081 1.00 0.00 H new ATOM 0 HB3 ASP A 77 18.979 2.443 4.566 1.00 0.00 H new ATOM 1270 N ARG A 78 15.142 2.454 5.505 1.00 0.00 N ATOM 1271 CA ARG A 78 13.818 2.982 5.617 1.00 0.00 C ATOM 1272 C ARG A 78 12.795 2.095 4.928 1.00 0.00 C ATOM 1273 O ARG A 78 11.923 2.538 4.190 1.00 0.00 O ATOM 1274 CB ARG A 78 13.690 4.436 5.217 1.00 0.00 C ATOM 1275 CG ARG A 78 12.566 5.139 5.989 1.00 0.00 C ATOM 1276 CD ARG A 78 12.881 5.304 7.474 1.00 0.00 C ATOM 1277 NE ARG A 78 13.914 6.319 7.712 1.00 0.00 N ATOM 1278 CZ ARG A 78 14.890 6.241 8.622 1.00 0.00 C ATOM 1279 NH1 ARG A 78 15.024 5.161 9.380 1.00 0.00 N ATOM 1280 NH2 ARG A 78 15.731 7.255 8.767 1.00 0.00 N ATOM 0 H ARG A 78 15.208 1.610 4.936 1.00 0.00 H new ATOM 0 HA ARG A 78 13.593 2.972 6.683 1.00 0.00 H new ATOM 0 HB2 ARG A 78 14.634 4.949 5.401 1.00 0.00 H new ATOM 0 HB3 ARG A 78 13.494 4.503 4.147 1.00 0.00 H new ATOM 0 HG2 ARG A 78 12.388 6.120 5.549 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.644 4.568 5.879 1.00 0.00 H new ATOM 0 HD2 ARG A 78 11.972 5.581 8.008 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.212 4.349 7.882 1.00 0.00 H new ATOM 0 HE ARG A 78 13.885 7.158 7.132 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.378 4.379 9.272 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.773 5.113 10.071 1.00 0.00 H new ATOM 0 HH21 ARG A 78 15.631 8.088 8.186 1.00 0.00 H new ATOM 0 HH22 ARG A 78 16.478 7.203 9.459 1.00 0.00 H new ATOM 1294 N ALA A 79 12.869 0.882 5.266 1.00 0.00 N ATOM 1295 CA ALA A 79 12.003 -0.125 4.781 1.00 0.00 C ATOM 1296 C ALA A 79 11.085 -0.466 5.938 1.00 0.00 C ATOM 1297 O ALA A 79 11.530 -0.496 7.092 1.00 0.00 O ATOM 1298 CB ALA A 79 12.829 -1.337 4.438 1.00 0.00 C ATOM 0 H ALA A 79 13.567 0.533 5.922 1.00 0.00 H new ATOM 0 HA ALA A 79 11.446 0.193 3.900 1.00 0.00 H new ATOM 0 HB1 ALA A 79 12.178 -2.126 4.062 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.560 -1.074 3.674 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.347 -1.689 5.330 1.00 0.00 H new ATOM 1304 N TRP A 80 9.835 -0.691 5.654 1.00 0.00 N ATOM 1305 CA TRP A 80 8.834 -0.900 6.662 1.00 0.00 C ATOM 1306 C TRP A 80 8.063 -2.115 6.278 1.00 0.00 C ATOM 1307 O TRP A 80 8.129 -2.557 5.113 1.00 0.00 O ATOM 1308 CB TRP A 80 7.875 0.322 6.846 1.00 0.00 C ATOM 1309 CG TRP A 80 8.536 1.618 7.312 1.00 0.00 C ATOM 1310 CD1 TRP A 80 9.598 2.262 6.749 1.00 0.00 C ATOM 1311 CD2 TRP A 80 8.135 2.440 8.419 1.00 0.00 C ATOM 1312 NE1 TRP A 80 9.890 3.396 7.444 1.00 0.00 N ATOM 1313 CE2 TRP A 80 9.014 3.533 8.467 1.00 0.00 C ATOM 1314 CE3 TRP A 80 7.134 2.354 9.371 1.00 0.00 C ATOM 1315 CZ2 TRP A 80 8.917 4.529 9.431 1.00 0.00 C ATOM 1316 CZ3 TRP A 80 7.034 3.343 10.327 1.00 0.00 C ATOM 1317 CH2 TRP A 80 7.921 4.416 10.351 1.00 0.00 C ATOM 0 H TRP A 80 9.476 -0.735 4.700 1.00 0.00 H new ATOM 0 HA TRP A 80 9.330 -1.027 7.625 1.00 0.00 H new ATOM 0 HB2 TRP A 80 7.373 0.512 5.898 1.00 0.00 H new ATOM 0 HB3 TRP A 80 7.103 0.050 7.566 1.00 0.00 H new ATOM 0 HD1 TRP A 80 10.132 1.921 5.875 1.00 0.00 H new ATOM 0 HE1 TRP A 80 10.650 4.041 7.228 1.00 0.00 H new ATOM 0 HE3 TRP A 80 6.442 1.525 9.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 9.606 5.361 9.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 6.253 3.284 11.071 1.00 0.00 H new ATOM 0 HH2 TRP A 80 7.816 5.173 11.114 1.00 0.00 H new ATOM 1328 N MET A 81 7.372 -2.651 7.206 1.00 0.00 N ATOM 1329 CA MET A 81 6.644 -3.809 7.052 1.00 0.00 C ATOM 1330 C MET A 81 5.302 -3.524 7.502 1.00 0.00 C ATOM 1331 O MET A 81 5.082 -2.734 8.419 1.00 0.00 O ATOM 1332 CB MET A 81 7.241 -4.990 7.801 1.00 0.00 C ATOM 1333 CG MET A 81 7.575 -4.751 9.272 1.00 0.00 C ATOM 1334 SD MET A 81 8.473 -6.128 10.037 1.00 0.00 S ATOM 1335 CE MET A 81 7.283 -7.453 9.864 1.00 0.00 C ATOM 0 H MET A 81 7.307 -2.255 8.144 1.00 0.00 H new ATOM 0 HA MET A 81 6.653 -4.109 6.004 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.543 -5.825 7.739 1.00 0.00 H new ATOM 0 HB3 MET A 81 8.152 -5.297 7.287 1.00 0.00 H new ATOM 0 HG2 MET A 81 8.173 -3.844 9.359 1.00 0.00 H new ATOM 0 HG3 MET A 81 6.651 -4.578 9.824 1.00 0.00 H new ATOM 0 HE1 MET A 81 7.547 -8.269 10.537 1.00 0.00 H new ATOM 0 HE2 MET A 81 6.288 -7.084 10.114 1.00 0.00 H new ATOM 0 HE3 MET A 81 7.288 -7.815 8.836 1.00 0.00 H new ATOM 1345 N TRP A 82 4.443 -4.075 6.852 1.00 0.00 N ATOM 1346 CA TRP A 82 3.090 -3.851 7.045 1.00 0.00 C ATOM 1347 C TRP A 82 2.430 -5.167 7.034 1.00 0.00 C ATOM 1348 O TRP A 82 2.934 -6.105 6.382 1.00 0.00 O ATOM 1349 CB TRP A 82 2.537 -2.912 5.964 1.00 0.00 C ATOM 1350 CG TRP A 82 3.097 -3.165 4.602 1.00 0.00 C ATOM 1351 CD1 TRP A 82 2.722 -4.123 3.708 1.00 0.00 C ATOM 1352 CD2 TRP A 82 4.152 -2.428 3.991 1.00 0.00 C ATOM 1353 NE1 TRP A 82 3.505 -4.036 2.587 1.00 0.00 N ATOM 1354 CE2 TRP A 82 4.385 -3.000 2.741 1.00 0.00 C ATOM 1355 CE3 TRP A 82 4.927 -1.336 4.395 1.00 0.00 C ATOM 1356 CZ2 TRP A 82 5.358 -2.525 1.888 1.00 0.00 C ATOM 1357 CZ3 TRP A 82 5.892 -0.862 3.543 1.00 0.00 C ATOM 1358 CH2 TRP A 82 6.103 -1.455 2.303 1.00 0.00 C ATOM 0 H TRP A 82 4.647 -4.747 6.112 1.00 0.00 H new ATOM 0 HA TRP A 82 2.902 -3.355 7.997 1.00 0.00 H new ATOM 0 HB2 TRP A 82 1.453 -3.016 5.926 1.00 0.00 H new ATOM 0 HB3 TRP A 82 2.749 -1.881 6.248 1.00 0.00 H new ATOM 0 HD1 TRP A 82 1.929 -4.841 3.860 1.00 0.00 H new ATOM 0 HE1 TRP A 82 3.442 -4.644 1.771 1.00 0.00 H new ATOM 0 HE3 TRP A 82 4.769 -0.875 5.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 5.527 -2.982 0.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 6.496 -0.017 3.839 1.00 0.00 H new ATOM 0 HH2 TRP A 82 6.871 -1.063 1.654 1.00 0.00 H new ATOM 1369 N LEU A 83 1.367 -5.319 7.724 1.00 0.00 N ATOM 1370 CA LEU A 83 0.757 -6.577 7.645 1.00 0.00 C ATOM 1371 C LEU A 83 -0.430 -6.493 6.742 1.00 0.00 C ATOM 1372 O LEU A 83 -1.300 -5.673 6.933 1.00 0.00 O ATOM 1373 CB LEU A 83 0.389 -7.179 8.996 1.00 0.00 C ATOM 1374 CG LEU A 83 -0.740 -6.517 9.814 1.00 0.00 C ATOM 1375 CD1 LEU A 83 -1.142 -7.446 10.932 1.00 0.00 C ATOM 1376 CD2 LEU A 83 -0.295 -5.182 10.419 1.00 0.00 C ATOM 0 H LEU A 83 0.921 -4.623 8.322 1.00 0.00 H new ATOM 0 HA LEU A 83 1.494 -7.264 7.230 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.112 -8.220 8.831 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.287 -7.182 9.613 1.00 0.00 H new ATOM 0 HG LEU A 83 -1.577 -6.325 9.142 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.940 -6.988 11.517 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.495 -8.388 10.513 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.283 -7.634 11.576 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.118 -4.748 10.987 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.555 -5.348 11.081 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.005 -4.499 9.620 1.00 0.00 H new ATOM 1388 N ALA A 84 -0.477 -7.336 5.791 1.00 0.00 N ATOM 1389 CA ALA A 84 -1.521 -7.279 4.807 1.00 0.00 C ATOM 1390 C ALA A 84 -1.917 -8.615 4.359 1.00 0.00 C ATOM 1391 O ALA A 84 -1.193 -9.596 4.573 1.00 0.00 O ATOM 1392 CB ALA A 84 -1.124 -6.471 3.615 1.00 0.00 C ATOM 0 H ALA A 84 0.197 -8.090 5.657 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.367 -6.797 5.297 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.944 -6.455 2.897 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -0.894 -5.452 3.926 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.244 -6.916 3.151 1.00 0.00 H new ATOM 1398 N SER A 85 -3.046 -8.669 3.747 1.00 0.00 N ATOM 1399 CA SER A 85 -3.479 -9.794 3.112 1.00 0.00 C ATOM 1400 C SER A 85 -2.947 -9.844 1.757 1.00 0.00 C ATOM 1401 O SER A 85 -3.275 -9.058 0.876 1.00 0.00 O ATOM 1402 CB SER A 85 -4.937 -9.834 3.145 1.00 0.00 C ATOM 1403 OG SER A 85 -5.482 -8.529 3.406 1.00 0.00 O ATOM 0 H SER A 85 -3.695 -7.884 3.691 1.00 0.00 H new ATOM 0 HA SER A 85 -3.111 -10.682 3.625 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.316 -10.207 2.193 1.00 0.00 H new ATOM 0 HB3 SER A 85 -5.268 -10.531 3.915 1.00 0.00 H new ATOM 0 HG SER A 85 -5.449 -8.347 4.368 1.00 0.00 H new ATOM 1409 N ASP A 86 -2.038 -10.708 1.670 1.00 0.00 N ATOM 1410 CA ASP A 86 -1.362 -11.025 0.495 1.00 0.00 C ATOM 1411 C ASP A 86 -1.803 -12.412 0.021 1.00 0.00 C ATOM 1412 O ASP A 86 -2.456 -13.139 0.777 1.00 0.00 O ATOM 1413 CB ASP A 86 0.167 -10.834 0.658 1.00 0.00 C ATOM 1414 CG ASP A 86 1.074 -11.258 -0.451 1.00 0.00 C ATOM 1415 OD1 ASP A 86 0.640 -11.400 -1.599 1.00 0.00 O ATOM 1416 OD2 ASP A 86 2.293 -11.351 -0.192 1.00 0.00 O ATOM 0 H ASP A 86 -1.722 -11.253 2.472 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.628 -10.332 -0.303 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.348 -9.775 0.844 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.472 -11.372 1.556 1.00 0.00 H new ATOM 1421 N PHE A 87 -1.448 -12.739 -1.207 1.00 0.00 N ATOM 1422 CA PHE A 87 -1.770 -13.857 -1.912 1.00 0.00 C ATOM 1423 C PHE A 87 -3.147 -13.790 -2.565 1.00 0.00 C ATOM 1424 O PHE A 87 -4.052 -14.442 -2.227 1.00 0.00 O ATOM 1425 CB PHE A 87 -1.472 -15.107 -1.186 1.00 0.00 C ATOM 1426 CG PHE A 87 -0.038 -15.329 -0.753 1.00 0.00 C ATOM 1427 CD1 PHE A 87 0.889 -15.880 -1.622 1.00 0.00 C ATOM 1428 CD2 PHE A 87 0.367 -15.019 0.539 1.00 0.00 C ATOM 1429 CE1 PHE A 87 2.187 -16.114 -1.216 1.00 0.00 C ATOM 1430 CE2 PHE A 87 1.664 -15.244 0.946 1.00 0.00 C ATOM 1431 CZ PHE A 87 2.575 -15.795 0.069 1.00 0.00 C ATOM 0 H PHE A 87 -0.855 -12.116 -1.756 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.091 -13.885 -2.764 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.103 -15.140 -0.298 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -1.768 -15.944 -1.818 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.592 -16.130 -2.630 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.344 -14.596 1.233 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.899 -16.547 -1.904 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.967 -14.989 1.951 1.00 0.00 H new ATOM 0 HZ PHE A 87 3.591 -15.976 0.388 1.00 0.00 H new ATOM 1441 N SER A 88 -3.265 -12.867 -3.426 1.00 0.00 N ATOM 1442 CA SER A 88 -4.402 -12.681 -4.288 1.00 0.00 C ATOM 1443 C SER A 88 -4.355 -13.776 -5.312 1.00 0.00 C ATOM 1444 O SER A 88 -5.356 -14.222 -5.869 1.00 0.00 O ATOM 1445 CB SER A 88 -4.357 -11.298 -4.903 1.00 0.00 C ATOM 1446 OG SER A 88 -4.363 -10.329 -3.869 1.00 0.00 O ATOM 0 H SER A 88 -2.538 -12.167 -3.574 1.00 0.00 H new ATOM 0 HA SER A 88 -5.345 -12.741 -3.745 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.462 -11.188 -5.516 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.214 -11.151 -5.561 1.00 0.00 H new ATOM 0 HG SER A 88 -5.282 -10.184 -3.562 1.00 0.00 H new ATOM 1452 N ASP A 89 -3.129 -14.213 -5.514 1.00 0.00 N ATOM 1453 CA ASP A 89 -2.780 -15.207 -6.417 1.00 0.00 C ATOM 1454 C ASP A 89 -1.939 -16.126 -5.620 1.00 0.00 C ATOM 1455 O ASP A 89 -0.725 -16.213 -5.773 1.00 0.00 O ATOM 1456 CB ASP A 89 -2.031 -14.633 -7.628 1.00 0.00 C ATOM 1457 CG ASP A 89 -1.646 -15.670 -8.662 1.00 0.00 C ATOM 1458 OD1 ASP A 89 -2.525 -16.135 -9.410 1.00 0.00 O ATOM 1459 OD2 ASP A 89 -0.456 -16.021 -8.764 1.00 0.00 O ATOM 0 H ASP A 89 -2.327 -13.840 -5.006 1.00 0.00 H new ATOM 0 HA ASP A 89 -3.645 -15.711 -6.848 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -2.655 -13.876 -8.103 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -1.129 -14.130 -7.279 1.00 0.00 H new ATOM 1464 N GLY A 90 -2.566 -16.656 -4.628 1.00 0.00 N ATOM 1465 CA GLY A 90 -1.901 -17.504 -3.734 1.00 0.00 C ATOM 1466 C GLY A 90 -2.759 -17.912 -2.605 1.00 0.00 C ATOM 1467 O GLY A 90 -2.523 -18.957 -1.979 1.00 0.00 O ATOM 0 H GLY A 90 -3.554 -16.507 -4.424 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.558 -18.391 -4.266 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -1.014 -17.000 -3.350 1.00 0.00 H new ATOM 1471 N ASP A 91 -3.711 -17.050 -2.346 1.00 0.00 N ATOM 1472 CA ASP A 91 -4.807 -17.184 -1.329 1.00 0.00 C ATOM 1473 C ASP A 91 -4.516 -16.369 -0.104 1.00 0.00 C ATOM 1474 O ASP A 91 -3.497 -16.561 0.567 1.00 0.00 O ATOM 1475 CB ASP A 91 -5.214 -18.611 -1.016 1.00 0.00 C ATOM 1476 CG ASP A 91 -6.176 -18.714 0.149 1.00 0.00 C ATOM 1477 OD1 ASP A 91 -7.356 -18.338 -0.005 1.00 0.00 O ATOM 1478 OD2 ASP A 91 -5.768 -19.164 1.243 1.00 0.00 O ATOM 0 H ASP A 91 -3.774 -16.168 -2.855 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.697 -16.765 -1.798 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.675 -19.053 -1.900 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.322 -19.197 -0.795 1.00 0.00 H new ATOM 1483 N ALA A 92 -5.426 -15.473 0.190 1.00 0.00 N ATOM 1484 CA ALA A 92 -5.173 -14.403 1.112 1.00 0.00 C ATOM 1485 C ALA A 92 -5.119 -14.805 2.558 1.00 0.00 C ATOM 1486 O ALA A 92 -6.052 -15.395 3.125 1.00 0.00 O ATOM 1487 CB ALA A 92 -6.160 -13.265 0.904 1.00 0.00 C ATOM 0 H ALA A 92 -6.365 -15.469 -0.207 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.164 -14.064 0.877 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -5.949 -12.466 1.614 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.065 -12.882 -0.112 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.175 -13.630 1.061 1.00 0.00 H new ATOM 1493 N LYS A 93 -4.002 -14.515 3.121 1.00 0.00 N ATOM 1494 CA LYS A 93 -3.750 -14.629 4.511 1.00 0.00 C ATOM 1495 C LYS A 93 -3.035 -13.351 4.838 1.00 0.00 C ATOM 1496 O LYS A 93 -2.591 -12.648 3.924 1.00 0.00 O ATOM 1497 CB LYS A 93 -2.819 -15.798 4.818 1.00 0.00 C ATOM 1498 CG LYS A 93 -2.784 -16.221 6.292 1.00 0.00 C ATOM 1499 CD LYS A 93 -1.673 -17.236 6.569 1.00 0.00 C ATOM 1500 CE LYS A 93 -1.875 -18.551 5.826 1.00 0.00 C ATOM 1501 NZ LYS A 93 -3.063 -19.294 6.301 1.00 0.00 N ATOM 0 H LYS A 93 -3.197 -14.174 2.596 1.00 0.00 H new ATOM 0 HA LYS A 93 -4.666 -14.796 5.077 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -3.123 -16.654 4.216 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.809 -15.532 4.507 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.636 -15.341 6.919 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -3.746 -16.652 6.569 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.714 -16.805 6.281 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.626 -17.433 7.640 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -1.979 -18.350 4.760 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.989 -19.173 5.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.108 -20.217 5.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.995 -19.437 7.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.922 -18.750 6.084 1.00 0.00 H new ATOM 1515 N LEU A 94 -2.900 -13.043 6.062 1.00 0.00 N ATOM 1516 CA LEU A 94 -2.195 -11.860 6.415 1.00 0.00 C ATOM 1517 C LEU A 94 -0.853 -12.243 6.935 1.00 0.00 C ATOM 1518 O LEU A 94 -0.720 -13.144 7.758 1.00 0.00 O ATOM 1519 CB LEU A 94 -2.963 -10.910 7.360 1.00 0.00 C ATOM 1520 CG LEU A 94 -3.133 -11.327 8.837 1.00 0.00 C ATOM 1521 CD1 LEU A 94 -3.732 -10.187 9.622 1.00 0.00 C ATOM 1522 CD2 LEU A 94 -4.019 -12.554 8.978 1.00 0.00 C ATOM 0 H LEU A 94 -3.264 -13.585 6.845 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.078 -11.260 5.513 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.458 -9.944 7.343 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.958 -10.757 6.941 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.146 -11.575 9.227 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.850 -10.485 10.664 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.073 -9.320 9.565 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.706 -9.930 9.205 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.114 -12.815 10.032 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.006 -12.340 8.567 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.574 -13.388 8.436 1.00 0.00 H new ATOM 1534 N GLU A 95 0.108 -11.578 6.443 1.00 0.00 N ATOM 1535 CA GLU A 95 1.434 -11.799 6.651 1.00 0.00 C ATOM 1536 C GLU A 95 1.966 -10.461 6.757 1.00 0.00 C ATOM 1537 O GLU A 95 1.342 -9.486 6.292 1.00 0.00 O ATOM 1538 CB GLU A 95 2.023 -12.513 5.437 1.00 0.00 C ATOM 1539 CG GLU A 95 1.556 -13.951 5.194 1.00 0.00 C ATOM 1540 CD GLU A 95 2.149 -14.956 6.158 1.00 0.00 C ATOM 1541 OE1 GLU A 95 3.360 -15.267 6.027 1.00 0.00 O ATOM 1542 OE2 GLU A 95 1.423 -15.521 6.987 1.00 0.00 O ATOM 0 H GLU A 95 -0.056 -10.786 5.822 1.00 0.00 H new ATOM 0 HA GLU A 95 1.653 -12.417 7.521 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.790 -11.925 4.550 1.00 0.00 H new ATOM 0 HB3 GLU A 95 3.108 -12.520 5.539 1.00 0.00 H new ATOM 0 HG2 GLU A 95 0.469 -13.988 5.268 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.816 -14.241 4.176 1.00 0.00 H new ATOM 1549 N GLN A 96 3.048 -10.380 7.321 1.00 0.00 N ATOM 1550 CA GLN A 96 3.618 -9.181 7.534 1.00 0.00 C ATOM 1551 C GLN A 96 4.782 -9.206 6.645 1.00 0.00 C ATOM 1552 O GLN A 96 5.718 -9.942 6.873 1.00 0.00 O ATOM 1553 CB GLN A 96 4.106 -8.987 8.992 1.00 0.00 C ATOM 1554 CG GLN A 96 3.105 -9.279 10.115 1.00 0.00 C ATOM 1555 CD GLN A 96 2.757 -10.749 10.265 1.00 0.00 C ATOM 1556 OE1 GLN A 96 3.573 -11.632 9.972 1.00 0.00 O ATOM 1557 NE2 GLN A 96 1.563 -11.022 10.726 1.00 0.00 N ATOM 0 H GLN A 96 3.584 -11.178 7.661 1.00 0.00 H new ATOM 0 HA GLN A 96 2.910 -8.372 7.353 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.977 -9.624 9.143 1.00 0.00 H new ATOM 0 HB3 GLN A 96 4.443 -7.956 9.100 1.00 0.00 H new ATOM 0 HG2 GLN A 96 3.515 -8.915 11.057 1.00 0.00 H new ATOM 0 HG3 GLN A 96 2.190 -8.717 9.928 1.00 0.00 H new ATOM 0 HE21 GLN A 96 0.920 -10.265 10.956 1.00 0.00 H new ATOM 0 HE22 GLN A 96 1.276 -11.992 10.856 1.00 0.00 H new ATOM 1566 N LEU A 97 4.749 -8.439 5.680 1.00 0.00 N ATOM 1567 CA LEU A 97 5.763 -8.403 4.757 1.00 0.00 C ATOM 1568 C LEU A 97 6.394 -7.050 4.725 1.00 0.00 C ATOM 1569 O LEU A 97 5.759 -6.049 5.062 1.00 0.00 O ATOM 1570 CB LEU A 97 5.232 -8.772 3.396 1.00 0.00 C ATOM 1571 CG LEU A 97 4.699 -10.218 3.148 1.00 0.00 C ATOM 1572 CD1 LEU A 97 4.844 -10.622 1.701 1.00 0.00 C ATOM 1573 CD2 LEU A 97 5.320 -11.246 4.055 1.00 0.00 C ATOM 0 H LEU A 97 3.986 -7.787 5.495 1.00 0.00 H new ATOM 0 HA LEU A 97 6.526 -9.127 5.044 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.423 -8.080 3.162 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.027 -8.588 2.674 1.00 0.00 H new ATOM 0 HG LEU A 97 3.638 -10.188 3.394 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.463 -11.634 1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.278 -9.934 1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.896 -10.590 1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.905 -12.228 3.829 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.399 -11.263 3.900 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.106 -10.992 5.093 1.00 0.00 H new ATOM 1585 N ALA A 98 7.625 -7.019 4.325 1.00 0.00 N ATOM 1586 CA ALA A 98 8.364 -5.786 4.271 1.00 0.00 C ATOM 1587 C ALA A 98 8.749 -5.490 2.856 1.00 0.00 C ATOM 1588 O ALA A 98 8.838 -6.399 2.048 1.00 0.00 O ATOM 1589 CB ALA A 98 9.611 -5.865 5.138 1.00 0.00 C ATOM 0 H ALA A 98 8.150 -7.841 4.026 1.00 0.00 H new ATOM 0 HA ALA A 98 7.730 -4.985 4.652 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.154 -4.921 5.081 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.324 -6.057 6.172 1.00 0.00 H new ATOM 0 HB3 ALA A 98 10.250 -6.673 4.783 1.00 0.00 H new ATOM 1595 N ALA A 99 8.954 -4.249 2.549 1.00 0.00 N ATOM 1596 CA ALA A 99 9.417 -3.871 1.233 1.00 0.00 C ATOM 1597 C ALA A 99 10.345 -2.696 1.356 1.00 0.00 C ATOM 1598 O ALA A 99 10.078 -1.766 2.142 1.00 0.00 O ATOM 1599 CB ALA A 99 8.258 -3.557 0.296 1.00 0.00 C ATOM 0 H ALA A 99 8.810 -3.468 3.190 1.00 0.00 H new ATOM 0 HA ALA A 99 9.954 -4.713 0.796 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.647 -3.277 -0.683 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.622 -4.437 0.196 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.674 -2.732 0.704 1.00 0.00 H new ATOM 1605 N LYS A 100 11.411 -2.705 0.596 1.00 0.00 N ATOM 1606 CA LYS A 100 12.370 -1.727 0.669 1.00 0.00 C ATOM 1607 C LYS A 100 12.704 -1.241 -0.656 1.00 0.00 C ATOM 1608 O LYS A 100 12.606 -1.943 -1.674 1.00 0.00 O ATOM 1609 CB LYS A 100 13.658 -2.132 1.348 1.00 0.00 C ATOM 1610 CG LYS A 100 14.605 -3.045 0.564 1.00 0.00 C ATOM 1611 CD LYS A 100 15.940 -3.199 1.297 1.00 0.00 C ATOM 1612 CE LYS A 100 16.621 -1.843 1.498 1.00 0.00 C ATOM 1613 NZ LYS A 100 17.892 -1.955 2.214 1.00 0.00 N ATOM 0 H LYS A 100 11.605 -3.428 -0.096 1.00 0.00 H new ATOM 0 HA LYS A 100 11.912 -0.955 1.287 1.00 0.00 H new ATOM 0 HB2 LYS A 100 14.202 -1.224 1.609 1.00 0.00 H new ATOM 0 HB3 LYS A 100 13.404 -2.631 2.283 1.00 0.00 H new ATOM 0 HG2 LYS A 100 14.145 -4.024 0.428 1.00 0.00 H new ATOM 0 HG3 LYS A 100 14.776 -2.632 -0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 100 15.774 -3.672 2.265 1.00 0.00 H new ATOM 0 HD3 LYS A 100 16.596 -3.858 0.728 1.00 0.00 H new ATOM 0 HE2 LYS A 100 16.794 -1.380 0.527 1.00 0.00 H new ATOM 0 HE3 LYS A 100 15.953 -1.183 2.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 18.229 -1.006 2.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 17.756 -2.522 3.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 18.595 -2.417 1.603 1.00 0.00 H new ATOM 1627 N PHE A 101 12.999 -0.066 -0.635 1.00 0.00 N ATOM 1628 CA PHE A 101 13.533 0.619 -1.762 1.00 0.00 C ATOM 1629 C PHE A 101 15.050 0.676 -1.633 1.00 0.00 C ATOM 1630 O PHE A 101 15.588 0.381 -0.566 1.00 0.00 O ATOM 1631 CB PHE A 101 12.904 1.981 -1.919 1.00 0.00 C ATOM 1632 CG PHE A 101 11.519 1.924 -2.495 1.00 0.00 C ATOM 1633 CD1 PHE A 101 11.336 1.957 -3.868 1.00 0.00 C ATOM 1634 CD2 PHE A 101 10.410 1.830 -1.679 1.00 0.00 C ATOM 1635 CE1 PHE A 101 10.073 1.899 -4.414 1.00 0.00 C ATOM 1636 CE2 PHE A 101 9.145 1.771 -2.221 1.00 0.00 C ATOM 1637 CZ PHE A 101 8.978 1.806 -3.590 1.00 0.00 C ATOM 0 H PHE A 101 12.888 0.524 0.190 1.00 0.00 H new ATOM 0 HA PHE A 101 13.292 0.076 -2.676 1.00 0.00 H new ATOM 0 HB2 PHE A 101 12.867 2.473 -0.947 1.00 0.00 H new ATOM 0 HB3 PHE A 101 13.534 2.594 -2.563 1.00 0.00 H new ATOM 0 HD1 PHE A 101 12.195 2.029 -4.519 1.00 0.00 H new ATOM 0 HD2 PHE A 101 10.535 1.802 -0.607 1.00 0.00 H new ATOM 0 HE1 PHE A 101 9.944 1.927 -5.486 1.00 0.00 H new ATOM 0 HE2 PHE A 101 8.283 1.697 -1.574 1.00 0.00 H new ATOM 0 HZ PHE A 101 7.986 1.760 -4.014 1.00 0.00 H new ATOM 1647 N LYS A 102 15.723 1.053 -2.707 1.00 0.00 N ATOM 1648 CA LYS A 102 17.192 0.999 -2.791 1.00 0.00 C ATOM 1649 C LYS A 102 17.907 1.852 -1.744 1.00 0.00 C ATOM 1650 O LYS A 102 18.926 1.438 -1.190 1.00 0.00 O ATOM 1651 CB LYS A 102 17.678 1.381 -4.194 1.00 0.00 C ATOM 1652 CG LYS A 102 17.127 0.493 -5.309 1.00 0.00 C ATOM 1653 CD LYS A 102 16.159 1.240 -6.226 1.00 0.00 C ATOM 1654 CE LYS A 102 16.872 2.337 -7.029 1.00 0.00 C ATOM 1655 NZ LYS A 102 15.977 3.008 -8.002 1.00 0.00 N ATOM 0 H LYS A 102 15.275 1.407 -3.552 1.00 0.00 H new ATOM 0 HA LYS A 102 17.453 -0.038 -2.579 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.397 2.415 -4.395 1.00 0.00 H new ATOM 0 HB3 LYS A 102 18.767 1.337 -4.214 1.00 0.00 H new ATOM 0 HG2 LYS A 102 17.955 0.102 -5.901 1.00 0.00 H new ATOM 0 HG3 LYS A 102 16.617 -0.364 -4.869 1.00 0.00 H new ATOM 0 HD2 LYS A 102 15.689 0.535 -6.911 1.00 0.00 H new ATOM 0 HD3 LYS A 102 15.362 1.685 -5.630 1.00 0.00 H new ATOM 0 HE2 LYS A 102 17.276 3.080 -6.342 1.00 0.00 H new ATOM 0 HE3 LYS A 102 17.718 1.901 -7.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 16.363 3.944 -8.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 15.909 2.432 -8.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 15.031 3.119 -7.584 1.00 0.00 H new ATOM 1669 N THR A 103 17.383 3.016 -1.481 1.00 0.00 N ATOM 1670 CA THR A 103 17.995 3.954 -0.559 1.00 0.00 C ATOM 1671 C THR A 103 16.922 4.477 0.353 1.00 0.00 C ATOM 1672 O THR A 103 15.745 4.377 -0.005 1.00 0.00 O ATOM 1673 CB THR A 103 18.561 5.150 -1.345 1.00 0.00 C ATOM 1674 OG1 THR A 103 17.499 5.725 -2.129 1.00 0.00 O ATOM 1675 CG2 THR A 103 19.694 4.722 -2.258 1.00 0.00 C ATOM 0 H THR A 103 16.514 3.350 -1.898 1.00 0.00 H new ATOM 0 HA THR A 103 18.790 3.459 -0.001 1.00 0.00 H new ATOM 0 HB THR A 103 18.958 5.881 -0.641 1.00 0.00 H new ATOM 0 HG1 THR A 103 17.843 6.490 -2.635 1.00 0.00 H new ATOM 0 HG21 THR A 103 20.072 5.589 -2.799 1.00 0.00 H new ATOM 0 HG22 THR A 103 20.497 4.287 -1.662 1.00 0.00 H new ATOM 0 HG23 THR A 103 19.328 3.982 -2.969 1.00 0.00 H new ATOM 1683 N PRO A 104 17.265 5.086 1.530 1.00 0.00 N ATOM 1684 CA PRO A 104 16.267 5.702 2.406 1.00 0.00 C ATOM 1685 C PRO A 104 15.563 6.858 1.743 1.00 0.00 C ATOM 1686 O PRO A 104 14.741 7.440 2.295 1.00 0.00 O ATOM 1687 CB PRO A 104 17.036 6.247 3.596 1.00 0.00 C ATOM 1688 CG PRO A 104 18.387 5.614 3.545 1.00 0.00 C ATOM 1689 CD PRO A 104 18.626 5.176 2.112 1.00 0.00 C ATOM 0 HA PRO A 104 15.511 4.963 2.673 1.00 0.00 H new ATOM 0 HB2 PRO A 104 17.113 7.333 3.545 1.00 0.00 H new ATOM 0 HB3 PRO A 104 16.529 6.007 4.530 1.00 0.00 H new ATOM 0 HG2 PRO A 104 19.154 6.319 3.864 1.00 0.00 H new ATOM 0 HG3 PRO A 104 18.437 4.761 4.221 1.00 0.00 H new ATOM 0 HD2 PRO A 104 19.243 5.895 1.573 1.00 0.00 H new ATOM 0 HD3 PRO A 104 19.142 4.217 2.069 1.00 0.00 H new ATOM 1697 N GLU A 105 15.986 7.239 0.623 1.00 0.00 N ATOM 1698 CA GLU A 105 15.315 8.267 -0.111 1.00 0.00 C ATOM 1699 C GLU A 105 14.034 7.695 -0.636 1.00 0.00 C ATOM 1700 O GLU A 105 12.953 8.135 -0.300 1.00 0.00 O ATOM 1701 CB GLU A 105 16.180 8.833 -1.229 1.00 0.00 C ATOM 1702 CG GLU A 105 15.578 10.044 -1.901 1.00 0.00 C ATOM 1703 CD GLU A 105 16.463 10.609 -2.967 1.00 0.00 C ATOM 1704 OE1 GLU A 105 17.530 11.158 -2.634 1.00 0.00 O ATOM 1705 OE2 GLU A 105 16.088 10.557 -4.158 1.00 0.00 O ATOM 0 H GLU A 105 16.813 6.859 0.163 1.00 0.00 H new ATOM 0 HA GLU A 105 15.105 9.109 0.549 1.00 0.00 H new ATOM 0 HB2 GLU A 105 17.156 9.100 -0.823 1.00 0.00 H new ATOM 0 HB3 GLU A 105 16.347 8.058 -1.977 1.00 0.00 H new ATOM 0 HG2 GLU A 105 14.617 9.773 -2.338 1.00 0.00 H new ATOM 0 HG3 GLU A 105 15.382 10.811 -1.152 1.00 0.00 H new ATOM 1712 N LEU A 106 14.191 6.602 -1.351 1.00 0.00 N ATOM 1713 CA LEU A 106 13.103 5.947 -2.000 1.00 0.00 C ATOM 1714 C LEU A 106 12.305 5.235 -0.982 1.00 0.00 C ATOM 1715 O LEU A 106 11.093 5.243 -0.997 1.00 0.00 O ATOM 1716 CB LEU A 106 13.592 5.025 -3.128 1.00 0.00 C ATOM 1717 CG LEU A 106 13.970 5.696 -4.467 1.00 0.00 C ATOM 1718 CD1 LEU A 106 15.160 6.633 -4.344 1.00 0.00 C ATOM 1719 CD2 LEU A 106 14.220 4.647 -5.525 1.00 0.00 C ATOM 0 H LEU A 106 15.093 6.147 -1.493 1.00 0.00 H new ATOM 0 HA LEU A 106 12.463 6.684 -2.486 1.00 0.00 H new ATOM 0 HB2 LEU A 106 14.462 4.478 -2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.813 4.289 -3.326 1.00 0.00 H new ATOM 0 HG LEU A 106 13.122 6.313 -4.765 1.00 0.00 H new ATOM 0 HD11 LEU A 106 15.378 7.074 -5.317 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.928 7.424 -3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 106 16.029 6.074 -3.996 1.00 0.00 H new ATOM 0 HD21 LEU A 106 14.485 5.133 -6.464 1.00 0.00 H new ATOM 0 HD22 LEU A 106 15.037 3.998 -5.208 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.318 4.051 -5.667 1.00 0.00 H new ATOM 1731 N ALA A 107 13.010 4.673 -0.056 1.00 0.00 N ATOM 1732 CA ALA A 107 12.435 3.975 1.025 1.00 0.00 C ATOM 1733 C ALA A 107 11.718 4.952 1.935 1.00 0.00 C ATOM 1734 O ALA A 107 10.550 4.739 2.257 1.00 0.00 O ATOM 1735 CB ALA A 107 13.554 3.258 1.749 1.00 0.00 C ATOM 0 H ALA A 107 14.030 4.692 -0.038 1.00 0.00 H new ATOM 0 HA ALA A 107 11.698 3.247 0.684 1.00 0.00 H new ATOM 0 HB1 ALA A 107 13.145 2.705 2.595 1.00 0.00 H new ATOM 0 HB2 ALA A 107 14.044 2.565 1.065 1.00 0.00 H new ATOM 0 HB3 ALA A 107 14.280 3.987 2.109 1.00 0.00 H new ATOM 1741 N GLU A 108 12.367 6.065 2.301 1.00 0.00 N ATOM 1742 CA GLU A 108 11.707 6.959 3.281 1.00 0.00 C ATOM 1743 C GLU A 108 10.546 7.728 2.710 1.00 0.00 C ATOM 1744 O GLU A 108 9.440 7.689 3.269 1.00 0.00 O ATOM 1745 CB GLU A 108 12.688 7.868 4.027 1.00 0.00 C ATOM 1746 CG GLU A 108 12.090 8.689 5.151 1.00 0.00 C ATOM 1747 CD GLU A 108 13.149 9.423 5.902 1.00 0.00 C ATOM 1748 OE1 GLU A 108 13.759 8.835 6.805 1.00 0.00 O ATOM 1749 OE2 GLU A 108 13.423 10.589 5.583 1.00 0.00 O ATOM 0 H GLU A 108 13.284 6.361 1.966 1.00 0.00 H new ATOM 0 HA GLU A 108 11.284 6.285 4.026 1.00 0.00 H new ATOM 0 HB2 GLU A 108 13.488 7.251 4.437 1.00 0.00 H new ATOM 0 HB3 GLU A 108 13.146 8.547 3.308 1.00 0.00 H new ATOM 0 HG2 GLU A 108 11.370 9.399 4.744 1.00 0.00 H new ATOM 0 HG3 GLU A 108 11.544 8.036 5.831 1.00 0.00 H new ATOM 1756 N GLU A 109 10.763 8.356 1.586 1.00 0.00 N ATOM 1757 CA GLU A 109 9.757 9.215 1.002 1.00 0.00 C ATOM 1758 C GLU A 109 8.552 8.415 0.573 1.00 0.00 C ATOM 1759 O GLU A 109 7.413 8.799 0.854 1.00 0.00 O ATOM 1760 CB GLU A 109 10.312 10.016 -0.169 1.00 0.00 C ATOM 1761 CG GLU A 109 11.520 10.869 0.172 1.00 0.00 C ATOM 1762 CD GLU A 109 11.998 11.673 -1.005 1.00 0.00 C ATOM 1763 OE1 GLU A 109 12.220 11.097 -2.094 1.00 0.00 O ATOM 1764 OE2 GLU A 109 12.138 12.906 -0.878 1.00 0.00 O ATOM 0 H GLU A 109 11.629 8.291 1.051 1.00 0.00 H new ATOM 0 HA GLU A 109 9.448 9.924 1.770 1.00 0.00 H new ATOM 0 HB2 GLU A 109 10.583 9.327 -0.969 1.00 0.00 H new ATOM 0 HB3 GLU A 109 9.524 10.662 -0.558 1.00 0.00 H new ATOM 0 HG2 GLU A 109 11.268 11.542 0.991 1.00 0.00 H new ATOM 0 HG3 GLU A 109 12.328 10.228 0.524 1.00 0.00 H new ATOM 1771 N PHE A 110 8.791 7.259 -0.039 1.00 0.00 N ATOM 1772 CA PHE A 110 7.700 6.454 -0.518 1.00 0.00 C ATOM 1773 C PHE A 110 6.934 5.890 0.644 1.00 0.00 C ATOM 1774 O PHE A 110 5.746 5.773 0.576 1.00 0.00 O ATOM 1775 CB PHE A 110 8.190 5.316 -1.376 1.00 0.00 C ATOM 1776 CG PHE A 110 7.143 4.720 -2.291 1.00 0.00 C ATOM 1777 CD1 PHE A 110 6.264 3.744 -1.837 1.00 0.00 C ATOM 1778 CD2 PHE A 110 7.050 5.129 -3.612 1.00 0.00 C ATOM 1779 CE1 PHE A 110 5.320 3.196 -2.674 1.00 0.00 C ATOM 1780 CE2 PHE A 110 6.105 4.582 -4.454 1.00 0.00 C ATOM 1781 CZ PHE A 110 5.239 3.614 -3.985 1.00 0.00 C ATOM 0 H PHE A 110 9.720 6.873 -0.208 1.00 0.00 H new ATOM 0 HA PHE A 110 7.056 7.094 -1.121 1.00 0.00 H new ATOM 0 HB2 PHE A 110 9.025 5.669 -1.982 1.00 0.00 H new ATOM 0 HB3 PHE A 110 8.577 4.530 -0.727 1.00 0.00 H new ATOM 0 HD1 PHE A 110 6.323 3.411 -0.811 1.00 0.00 H new ATOM 0 HD2 PHE A 110 7.725 5.884 -3.986 1.00 0.00 H new ATOM 0 HE1 PHE A 110 4.643 2.440 -2.305 1.00 0.00 H new ATOM 0 HE2 PHE A 110 6.042 4.911 -5.481 1.00 0.00 H new ATOM 0 HZ PHE A 110 4.499 3.185 -4.645 1.00 0.00 H new ATOM 1791 N LYS A 111 7.629 5.524 1.710 1.00 0.00 N ATOM 1792 CA LYS A 111 6.944 4.965 2.888 1.00 0.00 C ATOM 1793 C LYS A 111 6.022 5.959 3.565 1.00 0.00 C ATOM 1794 O LYS A 111 4.919 5.603 3.968 1.00 0.00 O ATOM 1795 CB LYS A 111 7.890 4.298 3.893 1.00 0.00 C ATOM 1796 CG LYS A 111 7.963 2.746 3.825 1.00 0.00 C ATOM 1797 CD LYS A 111 8.663 2.152 2.582 1.00 0.00 C ATOM 1798 CE LYS A 111 7.891 2.358 1.287 1.00 0.00 C ATOM 1799 NZ LYS A 111 6.507 1.817 1.364 1.00 0.00 N ATOM 0 H LYS A 111 8.643 5.597 1.794 1.00 0.00 H new ATOM 0 HA LYS A 111 6.316 4.169 2.487 1.00 0.00 H new ATOM 0 HB2 LYS A 111 8.893 4.697 3.740 1.00 0.00 H new ATOM 0 HB3 LYS A 111 7.583 4.585 4.899 1.00 0.00 H new ATOM 0 HG2 LYS A 111 8.481 2.388 4.715 1.00 0.00 H new ATOM 0 HG3 LYS A 111 6.947 2.353 3.868 1.00 0.00 H new ATOM 0 HD2 LYS A 111 9.650 2.603 2.482 1.00 0.00 H new ATOM 0 HD3 LYS A 111 8.815 1.084 2.738 1.00 0.00 H new ATOM 0 HE2 LYS A 111 7.851 3.422 1.056 1.00 0.00 H new ATOM 0 HE3 LYS A 111 8.423 1.874 0.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 6.054 1.888 0.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 6.540 0.820 1.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 5.958 2.365 2.057 1.00 0.00 H new ATOM 1813 N GLN A 112 6.461 7.177 3.671 1.00 0.00 N ATOM 1814 CA GLN A 112 5.642 8.246 4.229 1.00 0.00 C ATOM 1815 C GLN A 112 4.468 8.504 3.347 1.00 0.00 C ATOM 1816 O GLN A 112 3.368 8.549 3.804 1.00 0.00 O ATOM 1817 CB GLN A 112 6.432 9.488 4.285 1.00 0.00 C ATOM 1818 CG GLN A 112 7.633 9.408 5.213 1.00 0.00 C ATOM 1819 CD GLN A 112 7.238 9.045 6.640 1.00 0.00 C ATOM 1820 OE1 GLN A 112 6.147 9.386 7.121 1.00 0.00 O ATOM 1821 NE2 GLN A 112 8.097 8.346 7.316 1.00 0.00 N ATOM 0 H GLN A 112 7.392 7.472 3.378 1.00 0.00 H new ATOM 0 HA GLN A 112 5.312 7.946 5.223 1.00 0.00 H new ATOM 0 HB2 GLN A 112 6.776 9.735 3.281 1.00 0.00 H new ATOM 0 HB3 GLN A 112 5.787 10.304 4.610 1.00 0.00 H new ATOM 0 HG2 GLN A 112 8.335 8.666 4.833 1.00 0.00 H new ATOM 0 HG3 GLN A 112 8.153 10.366 5.215 1.00 0.00 H new ATOM 0 HE21 GLN A 112 8.986 8.081 6.892 1.00 0.00 H new ATOM 0 HE22 GLN A 112 7.883 8.061 8.272 1.00 0.00 H new ATOM 1830 N LYS A 113 4.739 8.652 2.057 1.00 0.00 N ATOM 1831 CA LYS A 113 3.725 8.930 1.035 1.00 0.00 C ATOM 1832 C LYS A 113 2.739 7.800 0.981 1.00 0.00 C ATOM 1833 O LYS A 113 1.581 7.965 0.647 1.00 0.00 O ATOM 1834 CB LYS A 113 4.430 9.022 -0.286 1.00 0.00 C ATOM 1835 CG LYS A 113 3.619 9.655 -1.416 1.00 0.00 C ATOM 1836 CD LYS A 113 4.494 9.959 -2.633 1.00 0.00 C ATOM 1837 CE LYS A 113 5.204 8.720 -3.173 1.00 0.00 C ATOM 1838 NZ LYS A 113 6.129 9.057 -4.276 1.00 0.00 N ATOM 0 H LYS A 113 5.684 8.582 1.680 1.00 0.00 H new ATOM 0 HA LYS A 113 3.196 9.855 1.265 1.00 0.00 H new ATOM 0 HB2 LYS A 113 5.346 9.598 -0.151 1.00 0.00 H new ATOM 0 HB3 LYS A 113 4.727 8.019 -0.592 1.00 0.00 H new ATOM 0 HG2 LYS A 113 2.811 8.983 -1.706 1.00 0.00 H new ATOM 0 HG3 LYS A 113 3.156 10.575 -1.061 1.00 0.00 H new ATOM 0 HD2 LYS A 113 3.876 10.391 -3.421 1.00 0.00 H new ATOM 0 HD3 LYS A 113 5.237 10.710 -2.363 1.00 0.00 H new ATOM 0 HE2 LYS A 113 5.758 8.238 -2.368 1.00 0.00 H new ATOM 0 HE3 LYS A 113 4.464 8.001 -3.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 6.593 8.191 -4.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 5.596 9.494 -5.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 6.850 9.724 -3.933 1.00 0.00 H new ATOM 1852 N PHE A 114 3.231 6.676 1.326 1.00 0.00 N ATOM 1853 CA PHE A 114 2.441 5.416 1.340 1.00 0.00 C ATOM 1854 C PHE A 114 1.372 5.487 2.449 1.00 0.00 C ATOM 1855 O PHE A 114 0.177 5.361 2.195 1.00 0.00 O ATOM 1856 CB PHE A 114 3.414 4.251 1.589 1.00 0.00 C ATOM 1857 CG PHE A 114 2.870 2.858 1.563 1.00 0.00 C ATOM 1858 CD1 PHE A 114 2.741 2.176 0.372 1.00 0.00 C ATOM 1859 CD2 PHE A 114 2.550 2.208 2.740 1.00 0.00 C ATOM 1860 CE1 PHE A 114 2.304 0.873 0.356 1.00 0.00 C ATOM 1861 CE2 PHE A 114 2.103 0.907 2.733 1.00 0.00 C ATOM 1862 CZ PHE A 114 1.984 0.235 1.539 1.00 0.00 C ATOM 0 H PHE A 114 4.201 6.556 1.618 1.00 0.00 H new ATOM 0 HA PHE A 114 1.928 5.268 0.390 1.00 0.00 H new ATOM 0 HB2 PHE A 114 4.206 4.313 0.843 1.00 0.00 H new ATOM 0 HB3 PHE A 114 3.880 4.408 2.562 1.00 0.00 H new ATOM 0 HD1 PHE A 114 2.985 2.670 -0.557 1.00 0.00 H new ATOM 0 HD2 PHE A 114 2.652 2.730 3.680 1.00 0.00 H new ATOM 0 HE1 PHE A 114 2.211 0.347 -0.583 1.00 0.00 H new ATOM 0 HE2 PHE A 114 1.847 0.416 3.660 1.00 0.00 H new ATOM 0 HZ PHE A 114 1.641 -0.789 1.526 1.00 0.00 H new ATOM 1872 N GLU A 115 1.833 5.771 3.641 1.00 0.00 N ATOM 1873 CA GLU A 115 1.035 5.968 4.826 1.00 0.00 C ATOM 1874 C GLU A 115 0.207 7.275 4.677 1.00 0.00 C ATOM 1875 O GLU A 115 -0.925 7.368 5.157 1.00 0.00 O ATOM 1876 CB GLU A 115 2.090 5.969 5.951 1.00 0.00 C ATOM 1877 CG GLU A 115 1.877 6.769 7.184 1.00 0.00 C ATOM 1878 CD GLU A 115 0.709 6.355 8.045 1.00 0.00 C ATOM 1879 OE1 GLU A 115 0.579 5.169 8.420 1.00 0.00 O ATOM 1880 OE2 GLU A 115 -0.097 7.230 8.400 1.00 0.00 O ATOM 0 H GLU A 115 2.831 5.877 3.821 1.00 0.00 H new ATOM 0 HA GLU A 115 0.278 5.211 5.028 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.232 4.933 6.260 1.00 0.00 H new ATOM 0 HB3 GLU A 115 3.030 6.301 5.510 1.00 0.00 H new ATOM 0 HG2 GLU A 115 2.784 6.719 7.787 1.00 0.00 H new ATOM 0 HG3 GLU A 115 1.741 7.812 6.898 1.00 0.00 H new ATOM 1887 N GLU A 116 0.769 8.248 3.961 1.00 0.00 N ATOM 1888 CA GLU A 116 0.104 9.488 3.638 1.00 0.00 C ATOM 1889 C GLU A 116 -1.115 9.202 2.806 1.00 0.00 C ATOM 1890 O GLU A 116 -2.189 9.685 3.113 1.00 0.00 O ATOM 1891 CB GLU A 116 1.007 10.440 2.857 1.00 0.00 C ATOM 1892 CG GLU A 116 0.445 11.850 2.699 1.00 0.00 C ATOM 1893 CD GLU A 116 0.550 12.640 3.981 1.00 0.00 C ATOM 1894 OE1 GLU A 116 -0.298 12.485 4.873 1.00 0.00 O ATOM 1895 OE2 GLU A 116 1.523 13.426 4.124 1.00 0.00 O ATOM 0 H GLU A 116 1.716 8.185 3.587 1.00 0.00 H new ATOM 0 HA GLU A 116 -0.166 9.965 4.580 1.00 0.00 H new ATOM 0 HB2 GLU A 116 1.973 10.500 3.359 1.00 0.00 H new ATOM 0 HB3 GLU A 116 1.188 10.021 1.867 1.00 0.00 H new ATOM 0 HG2 GLU A 116 0.983 12.370 1.906 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -0.599 11.793 2.391 1.00 0.00 H new ATOM 1902 N CYS A 117 -0.951 8.384 1.756 1.00 0.00 N ATOM 1903 CA CYS A 117 -1.995 8.007 0.929 1.00 0.00 C ATOM 1904 C CYS A 117 -3.052 7.310 1.692 1.00 0.00 C ATOM 1905 O CYS A 117 -4.203 7.494 1.409 1.00 0.00 O ATOM 1906 CB CYS A 117 -1.502 7.137 -0.147 1.00 0.00 C ATOM 1907 SG CYS A 117 -0.612 7.964 -1.478 1.00 0.00 S ATOM 0 H CYS A 117 -0.051 7.983 1.493 1.00 0.00 H new ATOM 0 HA CYS A 117 -2.423 8.910 0.494 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -0.846 6.385 0.291 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -2.351 6.607 -0.578 1.00 0.00 H new ATOM 0 HG CYS A 117 0.591 8.256 -1.080 1.00 0.00 H new ATOM 1913 N GLN A 118 -2.662 6.533 2.690 1.00 0.00 N ATOM 1914 CA GLN A 118 -3.638 5.843 3.483 1.00 0.00 C ATOM 1915 C GLN A 118 -4.522 6.894 4.156 1.00 0.00 C ATOM 1916 O GLN A 118 -5.727 6.900 3.978 1.00 0.00 O ATOM 1917 CB GLN A 118 -2.932 4.983 4.570 1.00 0.00 C ATOM 1918 CG GLN A 118 -1.996 3.920 4.024 1.00 0.00 C ATOM 1919 CD GLN A 118 -1.241 3.151 5.106 1.00 0.00 C ATOM 1920 OE1 GLN A 118 -0.126 2.696 4.890 1.00 0.00 O ATOM 1921 NE2 GLN A 118 -1.841 2.992 6.263 1.00 0.00 N ATOM 0 H GLN A 118 -1.691 6.373 2.959 1.00 0.00 H new ATOM 0 HA GLN A 118 -4.235 5.183 2.854 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -2.367 5.644 5.227 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -3.693 4.499 5.183 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -2.572 3.215 3.425 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -1.275 4.392 3.356 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -2.771 3.383 6.413 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -1.377 2.477 7.012 1.00 0.00 H new ATOM 1930 N ARG A 119 -3.891 7.853 4.802 1.00 0.00 N ATOM 1931 CA ARG A 119 -4.606 8.857 5.571 1.00 0.00 C ATOM 1932 C ARG A 119 -5.382 9.828 4.732 1.00 0.00 C ATOM 1933 O ARG A 119 -6.495 10.227 5.034 1.00 0.00 O ATOM 1934 CB ARG A 119 -3.676 9.582 6.495 1.00 0.00 C ATOM 1935 CG ARG A 119 -2.811 8.661 7.309 1.00 0.00 C ATOM 1936 CD ARG A 119 -3.569 7.537 8.009 1.00 0.00 C ATOM 1937 NE ARG A 119 -2.624 6.524 8.468 1.00 0.00 N ATOM 1938 CZ ARG A 119 -2.911 5.362 9.042 1.00 0.00 C ATOM 1939 NH1 ARG A 119 -4.147 5.091 9.467 1.00 0.00 N ATOM 1940 NH2 ARG A 119 -1.938 4.480 9.229 1.00 0.00 N ATOM 0 H ARG A 119 -2.877 7.960 4.811 1.00 0.00 H new ATOM 0 HA ARG A 119 -5.345 8.310 6.157 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -3.039 10.246 5.911 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -4.260 10.210 7.168 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -2.055 8.222 6.657 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -2.282 9.248 8.060 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -4.131 7.935 8.854 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -4.292 7.092 7.326 1.00 0.00 H new ATOM 0 HE ARG A 119 -1.635 6.732 8.333 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -4.889 5.782 9.353 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -4.350 4.193 9.906 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -0.987 4.700 8.933 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -2.141 3.582 9.669 1.00 0.00 H new ATOM 1954 N LEU A 120 -4.750 10.237 3.753 1.00 0.00 N ATOM 1955 CA LEU A 120 -5.237 11.237 2.862 1.00 0.00 C ATOM 1956 C LEU A 120 -6.327 10.781 1.909 1.00 0.00 C ATOM 1957 O LEU A 120 -7.399 11.393 1.899 1.00 0.00 O ATOM 1958 CB LEU A 120 -4.089 11.984 2.153 1.00 0.00 C ATOM 1959 CG LEU A 120 -3.883 13.453 2.530 1.00 0.00 C ATOM 1960 CD1 LEU A 120 -3.494 13.595 3.991 1.00 0.00 C ATOM 1961 CD2 LEU A 120 -2.834 14.089 1.632 1.00 0.00 C ATOM 0 H LEU A 120 -3.824 9.888 3.505 1.00 0.00 H new ATOM 0 HA LEU A 120 -5.748 11.955 3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -3.161 11.449 2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -4.262 11.930 1.078 1.00 0.00 H new ATOM 0 HG LEU A 120 -4.829 13.975 2.384 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -3.354 14.649 4.230 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -4.283 13.182 4.619 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.565 13.055 4.174 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -2.699 15.133 1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -1.889 13.558 1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.161 14.032 0.594 1.00 0.00 H new ATOM 1973 N LEU A 121 -6.143 9.603 1.277 1.00 0.00 N ATOM 1974 CA LEU A 121 -6.988 9.097 0.136 1.00 0.00 C ATOM 1975 C LEU A 121 -8.448 8.957 0.536 1.00 0.00 C ATOM 1976 O LEU A 121 -9.372 8.997 -0.287 1.00 0.00 O ATOM 1977 CB LEU A 121 -6.321 7.815 -0.517 1.00 0.00 C ATOM 1978 CG LEU A 121 -7.039 7.005 -1.629 1.00 0.00 C ATOM 1979 CD1 LEU A 121 -8.222 6.196 -1.105 1.00 0.00 C ATOM 1980 CD2 LEU A 121 -7.449 7.906 -2.783 1.00 0.00 C ATOM 0 H LEU A 121 -5.398 8.956 1.536 1.00 0.00 H new ATOM 0 HA LEU A 121 -7.015 9.838 -0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -5.361 8.130 -0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -6.109 7.119 0.295 1.00 0.00 H new ATOM 0 HG LEU A 121 -6.316 6.280 -2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -8.683 5.651 -1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -7.874 5.489 -0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -8.955 6.869 -0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -7.950 7.312 -3.548 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -8.128 8.677 -2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -6.563 8.376 -3.210 1.00 0.00 H new ATOM 1992 N LEU A 122 -8.613 8.893 1.784 1.00 0.00 N ATOM 1993 CA LEU A 122 -9.855 8.750 2.451 1.00 0.00 C ATOM 1994 C LEU A 122 -10.816 9.922 2.235 1.00 0.00 C ATOM 1995 O LEU A 122 -12.007 9.728 1.957 1.00 0.00 O ATOM 1996 CB LEU A 122 -9.450 8.935 3.856 1.00 0.00 C ATOM 1997 CG LEU A 122 -8.704 7.782 4.555 1.00 0.00 C ATOM 1998 CD1 LEU A 122 -8.541 8.090 6.035 1.00 0.00 C ATOM 1999 CD2 LEU A 122 -9.433 6.456 4.373 1.00 0.00 C ATOM 0 H LEU A 122 -7.827 8.942 2.433 1.00 0.00 H new ATOM 0 HA LEU A 122 -10.342 7.828 2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -8.817 9.821 3.906 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -10.347 9.151 4.436 1.00 0.00 H new ATOM 0 HG LEU A 122 -7.720 7.689 4.095 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -8.013 7.270 6.521 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -7.970 9.011 6.154 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -9.523 8.210 6.492 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -8.880 5.664 4.878 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -10.433 6.529 4.800 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -9.508 6.225 3.310 1.00 0.00 H new