USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1029 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 75 HIS : no HD1:sc= -5.29! C(o=-6.3!,f=-2.6!) USER MOD Set 1.2: A 79 GLN : amide:sc= -0.977 K(o=-6.3,f=-2.6) USER MOD Set 2.1: A 14 HIS : no HE2:sc= -0.47 K(o=-0.82,f=-9.4!) USER MOD Set 2.2: A 93 ASN : amide:sc= -0.348 K(o=-0.82,f=-3.5!) USER MOD Set 3.1: A 6 GLN : amide:sc= 0.193 K(o=1.6,f=-0.96) USER MOD Set 3.2: A 85 ASN : amide:sc= 1.43 K(o=1.6,f=-0.18) USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0582 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.114 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 5 LYS NZ :NH3+ -143:sc= 1.19 (180deg=1.01) USER MOD Single : A 12 GLN : amide:sc= 0.0965 X(o=0.096,f=-0.28) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.102 K(o=-0.1,f=-1.4!) USER MOD Single : A 26 ASN : amide:sc= 0.638 K(o=0.64,f=0) USER MOD Single : A 28 MET CE :methyl 155:sc= -4.48! (180deg=-5.29!) USER MOD Single : A 30 SER OG : rot -55:sc= 1.35 USER MOD Single : A 32 MET CE :methyl 161:sc= -2.81! (180deg=-3.28!) USER MOD Single : A 36 GLN : amide:sc= -1.53! K(o=-1.5!,f=-0.41) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HE2:sc= 0.404 K(o=0.4,f=-5.2!) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.854 USER MOD Single : A 52 SER OG : rot 180:sc= -0.0292 USER MOD Single : A 54 HIS : no HD1:sc= 0.629 K(o=0.63,f=-4.7!) USER MOD Single : A 56 GLN : amide:sc= -0.0262 X(o=-0.026,f=-0.19) USER MOD Single : A 58 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.167) USER MOD Single : A 59 SER OG : rot 56:sc= -0.594 USER MOD Single : A 60 THR OG1 : rot 54:sc= 0.202 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot -74:sc= 0.708 USER MOD Single : A 86 HIS : no HD1:sc= -0.379 X(o=-0.38,f=-0.16) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 85:sc= 0.156 USER MOD Single : A 92 SER OG : rot 125:sc= 1.21 USER MOD Single : A 95 TYR OH : rot 70:sc= 1.24 USER MOD Single : A 96 THR OG1 : rot -144:sc= -1.48! USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.00311 USER MOD Single : A 99 THR OG1 : rot 180:sc= -2.81! USER MOD Single : A 101 GLN : amide:sc=-0.00323 X(o=-0.0032,f=-0.0032) USER MOD Single : A 104 ASN : amide:sc= 0.343 K(o=0.34,f=-3.2!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.348 X(o=-0.35,f=-0.051) USER MOD Single : A 112 GLN : amide:sc= -1.58 K(o=-1.6,f=-0.43) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 HIS : no HD1:sc= 0.897 K(o=0.9,f=-3.5!) USER MOD Single : A 125 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.31) USER MOD Single : A 126 SER OG : rot 86:sc= 0.195 USER MOD Single : A 127 LYS NZ :NH3+ 161:sc= -0.068 (180deg=-0.388) USER MOD Single : A 128 GLN : amide:sc= -0.302 K(o=-0.3,f=-2.8!) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.422 -6.190 12.224 1.00 0.00 N ATOM 2 CA GLY A 1 -27.268 -5.451 11.258 1.00 0.00 C ATOM 3 C GLY A 1 -26.525 -5.139 9.981 1.00 0.00 C ATOM 4 O GLY A 1 -25.587 -5.847 9.625 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.935 -7.028 12.565 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.542 -6.489 11.757 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.194 -5.572 13.029 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.155 -6.041 11.027 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.613 -4.523 11.713 1.00 0.00 H new ATOM 10 N SER A 2 -26.939 -4.073 9.299 1.00 0.00 N ATOM 11 CA SER A 2 -26.320 -3.674 8.041 1.00 0.00 C ATOM 12 C SER A 2 -24.894 -3.172 8.267 1.00 0.00 C ATOM 13 O SER A 2 -24.670 -1.995 8.559 1.00 0.00 O ATOM 14 CB SER A 2 -27.168 -2.591 7.373 1.00 0.00 C ATOM 15 OG SER A 2 -28.421 -2.459 8.031 1.00 0.00 O ATOM 0 H SER A 2 -27.704 -3.469 9.600 1.00 0.00 H new ATOM 0 HA SER A 2 -26.267 -4.544 7.386 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.637 -1.640 7.397 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.327 -2.841 6.324 1.00 0.00 H new ATOM 0 HG SER A 2 -28.949 -1.761 7.591 1.00 0.00 H new ATOM 21 N THR A 3 -23.938 -4.082 8.161 1.00 0.00 N ATOM 22 CA THR A 3 -22.531 -3.757 8.352 1.00 0.00 C ATOM 23 C THR A 3 -21.652 -4.687 7.519 1.00 0.00 C ATOM 24 O THR A 3 -20.589 -4.295 7.042 1.00 0.00 O ATOM 25 CB THR A 3 -22.129 -3.854 9.841 1.00 0.00 C ATOM 26 OG1 THR A 3 -23.163 -3.290 10.664 1.00 0.00 O ATOM 27 CG2 THR A 3 -20.819 -3.123 10.102 1.00 0.00 C ATOM 0 H THR A 3 -24.113 -5.063 7.941 1.00 0.00 H new ATOM 0 HA THR A 3 -22.382 -2.729 8.022 1.00 0.00 H new ATOM 0 HB THR A 3 -21.995 -4.907 10.088 1.00 0.00 H new ATOM 0 HG1 THR A 3 -22.903 -3.356 11.607 1.00 0.00 H new ATOM 0 HG21 THR A 3 -20.559 -3.207 11.157 1.00 0.00 H new ATOM 0 HG22 THR A 3 -20.028 -3.567 9.497 1.00 0.00 H new ATOM 0 HG23 THR A 3 -20.930 -2.071 9.838 1.00 0.00 H new ATOM 35 N GLU A 4 -22.143 -5.903 7.312 1.00 0.00 N ATOM 36 CA GLU A 4 -21.437 -6.930 6.555 1.00 0.00 C ATOM 37 C GLU A 4 -21.210 -6.486 5.113 1.00 0.00 C ATOM 38 O GLU A 4 -20.254 -6.897 4.459 1.00 0.00 O ATOM 39 CB GLU A 4 -22.245 -8.237 6.595 1.00 0.00 C ATOM 40 CG GLU A 4 -23.442 -8.270 5.644 1.00 0.00 C ATOM 41 CD GLU A 4 -24.694 -7.616 6.214 1.00 0.00 C ATOM 42 OE1 GLU A 4 -24.575 -6.604 6.934 1.00 0.00 O ATOM 43 OE2 GLU A 4 -25.805 -8.106 5.929 1.00 0.00 O ATOM 0 H GLU A 4 -23.050 -6.207 7.668 1.00 0.00 H new ATOM 0 HA GLU A 4 -20.460 -7.095 7.009 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -21.582 -9.067 6.353 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -22.601 -8.399 7.613 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -23.171 -7.768 4.715 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -23.667 -9.306 5.392 1.00 0.00 H new ATOM 50 N LYS A 5 -22.075 -5.604 4.642 1.00 0.00 N ATOM 51 CA LYS A 5 -22.037 -5.147 3.264 1.00 0.00 C ATOM 52 C LYS A 5 -20.988 -4.068 3.131 1.00 0.00 C ATOM 53 O LYS A 5 -20.365 -3.914 2.083 1.00 0.00 O ATOM 54 CB LYS A 5 -23.410 -4.623 2.819 1.00 0.00 C ATOM 55 CG LYS A 5 -24.566 -5.109 3.684 1.00 0.00 C ATOM 56 CD LYS A 5 -25.711 -5.650 2.845 1.00 0.00 C ATOM 57 CE LYS A 5 -26.981 -5.803 3.672 1.00 0.00 C ATOM 58 NZ LYS A 5 -27.298 -7.227 3.954 1.00 0.00 N ATOM 0 H LYS A 5 -22.819 -5.187 5.201 1.00 0.00 H new ATOM 0 HA LYS A 5 -21.781 -5.986 2.617 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -23.393 -3.533 2.831 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -23.588 -4.928 1.788 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -24.212 -5.887 4.360 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -24.926 -4.288 4.304 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -25.899 -4.979 2.007 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -25.431 -6.615 2.423 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -26.867 -5.265 4.613 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -27.816 -5.345 3.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -28.328 -7.366 3.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -26.845 -7.832 3.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -26.943 -7.481 4.898 1.00 0.00 H new ATOM 72 N GLN A 6 -20.780 -3.344 4.217 1.00 0.00 N ATOM 73 CA GLN A 6 -19.722 -2.355 4.275 1.00 0.00 C ATOM 74 C GLN A 6 -18.381 -3.061 4.326 1.00 0.00 C ATOM 75 O GLN A 6 -17.412 -2.621 3.714 1.00 0.00 O ATOM 76 CB GLN A 6 -19.877 -1.444 5.500 1.00 0.00 C ATOM 77 CG GLN A 6 -21.317 -1.195 5.920 1.00 0.00 C ATOM 78 CD GLN A 6 -21.432 -0.164 7.028 1.00 0.00 C ATOM 79 OE1 GLN A 6 -20.889 -0.340 8.119 1.00 0.00 O ATOM 80 NE2 GLN A 6 -22.147 0.917 6.757 1.00 0.00 N ATOM 0 H GLN A 6 -21.332 -3.424 5.071 1.00 0.00 H new ATOM 0 HA GLN A 6 -19.782 -1.731 3.383 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -19.339 -1.887 6.338 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -19.403 -0.486 5.287 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -21.891 -0.860 5.056 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -21.762 -2.133 6.254 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -22.581 1.025 5.840 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -22.264 1.642 7.465 1.00 0.00 H new ATOM 89 N LEU A 7 -18.343 -4.184 5.033 1.00 0.00 N ATOM 90 CA LEU A 7 -17.097 -4.928 5.202 1.00 0.00 C ATOM 91 C LEU A 7 -16.730 -5.664 3.924 1.00 0.00 C ATOM 92 O LEU A 7 -15.580 -5.644 3.489 1.00 0.00 O ATOM 93 CB LEU A 7 -17.211 -5.934 6.350 1.00 0.00 C ATOM 94 CG LEU A 7 -17.914 -5.423 7.602 1.00 0.00 C ATOM 95 CD1 LEU A 7 -18.331 -6.589 8.486 1.00 0.00 C ATOM 96 CD2 LEU A 7 -17.013 -4.466 8.366 1.00 0.00 C ATOM 0 H LEU A 7 -19.152 -4.598 5.496 1.00 0.00 H new ATOM 0 HA LEU A 7 -16.315 -4.207 5.438 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -17.744 -6.813 5.988 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -16.208 -6.260 6.625 1.00 0.00 H new ATOM 0 HG LEU A 7 -18.810 -4.880 7.301 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -18.832 -6.209 9.377 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -19.012 -7.238 7.935 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -17.448 -7.156 8.780 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -17.531 -4.111 9.257 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -16.099 -4.983 8.659 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -16.762 -3.617 7.730 1.00 0.00 H new ATOM 108 N GLU A 8 -17.720 -6.292 3.316 1.00 0.00 N ATOM 109 CA GLU A 8 -17.482 -7.128 2.143 1.00 0.00 C ATOM 110 C GLU A 8 -17.207 -6.289 0.905 1.00 0.00 C ATOM 111 O GLU A 8 -16.414 -6.682 0.046 1.00 0.00 O ATOM 112 CB GLU A 8 -18.668 -8.053 1.887 1.00 0.00 C ATOM 113 CG GLU A 8 -18.280 -9.520 1.869 1.00 0.00 C ATOM 114 CD GLU A 8 -18.225 -10.114 3.258 1.00 0.00 C ATOM 115 OE1 GLU A 8 -19.300 -10.324 3.856 1.00 0.00 O ATOM 116 OE2 GLU A 8 -17.113 -10.368 3.765 1.00 0.00 O ATOM 0 H GLU A 8 -18.695 -6.242 3.610 1.00 0.00 H new ATOM 0 HA GLU A 8 -16.598 -7.731 2.351 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -19.421 -7.891 2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -19.127 -7.792 0.933 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -18.998 -10.076 1.266 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -17.307 -9.631 1.390 1.00 0.00 H new ATOM 123 N ALA A 9 -17.844 -5.127 0.820 1.00 0.00 N ATOM 124 CA ALA A 9 -17.680 -4.266 -0.340 1.00 0.00 C ATOM 125 C ALA A 9 -16.265 -3.735 -0.391 1.00 0.00 C ATOM 126 O ALA A 9 -15.658 -3.638 -1.458 1.00 0.00 O ATOM 127 CB ALA A 9 -18.674 -3.117 -0.312 1.00 0.00 C ATOM 0 H ALA A 9 -18.474 -4.763 1.535 1.00 0.00 H new ATOM 0 HA ALA A 9 -17.873 -4.856 -1.236 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -18.529 -2.489 -1.191 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -19.689 -3.514 -0.313 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -18.518 -2.523 0.588 1.00 0.00 H new ATOM 133 N ILE A 10 -15.731 -3.424 0.777 1.00 0.00 N ATOM 134 CA ILE A 10 -14.384 -2.901 0.872 1.00 0.00 C ATOM 135 C ILE A 10 -13.371 -4.036 0.911 1.00 0.00 C ATOM 136 O ILE A 10 -12.174 -3.822 0.731 1.00 0.00 O ATOM 137 CB ILE A 10 -14.210 -1.990 2.099 1.00 0.00 C ATOM 138 CG1 ILE A 10 -14.360 -2.784 3.392 1.00 0.00 C ATOM 139 CG2 ILE A 10 -15.208 -0.844 2.049 1.00 0.00 C ATOM 140 CD1 ILE A 10 -13.089 -2.857 4.204 1.00 0.00 C ATOM 0 H ILE A 10 -16.211 -3.525 1.671 1.00 0.00 H new ATOM 0 HA ILE A 10 -14.206 -2.297 -0.018 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.203 -1.573 2.079 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -15.144 -2.331 3.999 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -14.687 -3.796 3.152 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -15.074 -0.207 2.923 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.044 -0.258 1.144 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -16.222 -1.244 2.044 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.269 -3.436 5.110 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -12.308 -3.337 3.615 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -12.772 -1.850 4.475 1.00 0.00 H new ATOM 152 N ASP A 11 -13.858 -5.248 1.138 1.00 0.00 N ATOM 153 CA ASP A 11 -13.009 -6.427 1.094 1.00 0.00 C ATOM 154 C ASP A 11 -12.690 -6.779 -0.346 1.00 0.00 C ATOM 155 O ASP A 11 -11.621 -7.296 -0.645 1.00 0.00 O ATOM 156 CB ASP A 11 -13.677 -7.609 1.784 1.00 0.00 C ATOM 157 CG ASP A 11 -12.690 -8.432 2.586 1.00 0.00 C ATOM 158 OD1 ASP A 11 -11.728 -7.846 3.130 1.00 0.00 O ATOM 159 OD2 ASP A 11 -12.872 -9.664 2.679 1.00 0.00 O ATOM 0 H ASP A 11 -14.836 -5.439 1.354 1.00 0.00 H new ATOM 0 HA ASP A 11 -12.084 -6.203 1.625 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -14.465 -7.245 2.443 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.154 -8.243 1.036 1.00 0.00 H new ATOM 164 N GLN A 12 -13.618 -6.466 -1.239 1.00 0.00 N ATOM 165 CA GLN A 12 -13.418 -6.707 -2.658 1.00 0.00 C ATOM 166 C GLN A 12 -12.357 -5.770 -3.217 1.00 0.00 C ATOM 167 O GLN A 12 -11.635 -6.121 -4.148 1.00 0.00 O ATOM 168 CB GLN A 12 -14.738 -6.545 -3.415 1.00 0.00 C ATOM 169 CG GLN A 12 -15.800 -7.556 -3.007 1.00 0.00 C ATOM 170 CD GLN A 12 -15.202 -8.878 -2.557 1.00 0.00 C ATOM 171 OE1 GLN A 12 -14.772 -9.693 -3.375 1.00 0.00 O ATOM 172 NE2 GLN A 12 -15.174 -9.101 -1.255 1.00 0.00 N ATOM 0 H GLN A 12 -14.517 -6.044 -1.004 1.00 0.00 H new ATOM 0 HA GLN A 12 -13.068 -7.731 -2.790 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -15.122 -5.539 -3.248 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -14.549 -6.640 -4.484 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -16.402 -7.140 -2.199 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -16.472 -7.732 -3.847 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -15.540 -8.401 -0.610 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -14.786 -9.973 -0.895 1.00 0.00 H new ATOM 181 N LEU A 13 -12.245 -4.581 -2.636 1.00 0.00 N ATOM 182 CA LEU A 13 -11.200 -3.648 -3.030 1.00 0.00 C ATOM 183 C LEU A 13 -9.978 -3.815 -2.130 1.00 0.00 C ATOM 184 O LEU A 13 -8.915 -3.263 -2.400 1.00 0.00 O ATOM 185 CB LEU A 13 -11.696 -2.197 -3.019 1.00 0.00 C ATOM 186 CG LEU A 13 -12.447 -1.754 -1.765 1.00 0.00 C ATOM 187 CD1 LEU A 13 -11.581 -0.828 -0.928 1.00 0.00 C ATOM 188 CD2 LEU A 13 -13.750 -1.069 -2.145 1.00 0.00 C ATOM 0 H LEU A 13 -12.861 -4.243 -1.896 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.915 -3.880 -4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.837 -1.540 -3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -12.349 -2.051 -3.880 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.681 -2.636 -1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.131 -0.521 -0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.672 -1.350 -0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.318 0.053 -1.514 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -14.275 -0.759 -1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -13.536 -0.194 -2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -14.375 -1.763 -2.707 1.00 0.00 H new ATOM 200 N HIS A 14 -10.139 -4.591 -1.060 1.00 0.00 N ATOM 201 CA HIS A 14 -9.013 -4.983 -0.215 1.00 0.00 C ATOM 202 C HIS A 14 -8.008 -5.755 -1.053 1.00 0.00 C ATOM 203 O HIS A 14 -6.808 -5.748 -0.779 1.00 0.00 O ATOM 204 CB HIS A 14 -9.480 -5.872 0.940 1.00 0.00 C ATOM 205 CG HIS A 14 -9.554 -5.188 2.271 1.00 0.00 C ATOM 206 ND1 HIS A 14 -10.322 -5.664 3.311 1.00 0.00 N ATOM 207 CD2 HIS A 14 -8.938 -4.080 2.741 1.00 0.00 C ATOM 208 CE1 HIS A 14 -10.175 -4.882 4.360 1.00 0.00 C ATOM 209 NE2 HIS A 14 -9.335 -3.910 4.047 1.00 0.00 N ATOM 0 H HIS A 14 -11.040 -4.961 -0.757 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.558 -4.082 0.197 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -10.465 -6.271 0.697 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.803 -6.722 1.022 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -10.913 -6.494 3.274 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.259 -3.445 2.192 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -10.660 -5.013 5.316 1.00 0.00 H new ATOM 218 N LEU A 15 -8.527 -6.425 -2.077 1.00 0.00 N ATOM 219 CA LEU A 15 -7.709 -7.178 -3.006 1.00 0.00 C ATOM 220 C LEU A 15 -6.710 -6.271 -3.709 1.00 0.00 C ATOM 221 O LEU A 15 -5.559 -6.642 -3.901 1.00 0.00 O ATOM 222 CB LEU A 15 -8.590 -7.875 -4.045 1.00 0.00 C ATOM 223 CG LEU A 15 -9.095 -9.269 -3.666 1.00 0.00 C ATOM 224 CD1 LEU A 15 -8.038 -10.047 -2.900 1.00 0.00 C ATOM 225 CD2 LEU A 15 -10.390 -9.168 -2.878 1.00 0.00 C ATOM 0 H LEU A 15 -9.526 -6.458 -2.281 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.159 -7.928 -2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.452 -7.240 -4.247 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.028 -7.954 -4.975 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.300 -9.820 -4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.426 -11.033 -2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.147 -10.156 -3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.782 -9.510 -1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.736 -10.168 -2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.218 -8.594 -1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.147 -8.670 -3.484 1.00 0.00 H new ATOM 237 N GLU A 16 -7.155 -5.071 -4.071 1.00 0.00 N ATOM 238 CA GLU A 16 -6.299 -4.109 -4.752 1.00 0.00 C ATOM 239 C GLU A 16 -5.149 -3.694 -3.854 1.00 0.00 C ATOM 240 O GLU A 16 -4.034 -3.466 -4.318 1.00 0.00 O ATOM 241 CB GLU A 16 -7.105 -2.879 -5.164 1.00 0.00 C ATOM 242 CG GLU A 16 -8.274 -3.191 -6.078 1.00 0.00 C ATOM 243 CD GLU A 16 -7.865 -3.255 -7.533 1.00 0.00 C ATOM 244 OE1 GLU A 16 -7.268 -2.279 -8.032 1.00 0.00 O ATOM 245 OE2 GLU A 16 -8.142 -4.283 -8.188 1.00 0.00 O ATOM 0 H GLU A 16 -8.106 -4.743 -3.903 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.894 -4.583 -5.646 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.479 -2.384 -4.268 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.443 -2.173 -5.665 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.717 -4.143 -5.785 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.044 -2.429 -5.953 1.00 0.00 H new ATOM 252 N TYR A 17 -5.422 -3.621 -2.561 1.00 0.00 N ATOM 253 CA TYR A 17 -4.391 -3.298 -1.592 1.00 0.00 C ATOM 254 C TYR A 17 -3.371 -4.426 -1.565 1.00 0.00 C ATOM 255 O TYR A 17 -2.171 -4.192 -1.630 1.00 0.00 O ATOM 256 CB TYR A 17 -5.000 -3.085 -0.199 1.00 0.00 C ATOM 257 CG TYR A 17 -4.152 -2.229 0.728 1.00 0.00 C ATOM 258 CD1 TYR A 17 -2.862 -2.609 1.070 1.00 0.00 C ATOM 259 CD2 TYR A 17 -4.650 -1.048 1.270 1.00 0.00 C ATOM 260 CE1 TYR A 17 -2.090 -1.842 1.919 1.00 0.00 C ATOM 261 CE2 TYR A 17 -3.883 -0.275 2.125 1.00 0.00 C ATOM 262 CZ TYR A 17 -2.604 -0.678 2.447 1.00 0.00 C ATOM 263 OH TYR A 17 -1.841 0.084 3.303 1.00 0.00 O ATOM 0 H TYR A 17 -6.346 -3.781 -2.161 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.900 -2.369 -1.882 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -5.979 -2.620 -0.310 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.160 -4.057 0.268 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.454 -3.523 0.664 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.651 -0.729 1.020 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.086 -2.153 2.169 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.284 0.639 2.538 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.352 0.872 3.583 1.00 0.00 H new ATOM 273 N ALA A 18 -3.867 -5.654 -1.527 1.00 0.00 N ATOM 274 CA ALA A 18 -3.011 -6.828 -1.462 1.00 0.00 C ATOM 275 C ALA A 18 -2.290 -7.078 -2.784 1.00 0.00 C ATOM 276 O ALA A 18 -1.258 -7.747 -2.819 1.00 0.00 O ATOM 277 CB ALA A 18 -3.832 -8.046 -1.068 1.00 0.00 C ATOM 0 H ALA A 18 -4.865 -5.863 -1.540 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.249 -6.645 -0.705 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.185 -8.922 -1.021 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.286 -7.878 -0.092 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.614 -8.212 -1.808 1.00 0.00 H new ATOM 283 N LYS A 19 -2.827 -6.544 -3.872 1.00 0.00 N ATOM 284 CA LYS A 19 -2.221 -6.744 -5.177 1.00 0.00 C ATOM 285 C LYS A 19 -1.170 -5.678 -5.463 1.00 0.00 C ATOM 286 O LYS A 19 -0.267 -5.893 -6.266 1.00 0.00 O ATOM 287 CB LYS A 19 -3.293 -6.732 -6.266 1.00 0.00 C ATOM 288 CG LYS A 19 -3.577 -8.103 -6.861 1.00 0.00 C ATOM 289 CD LYS A 19 -4.525 -8.905 -5.982 1.00 0.00 C ATOM 290 CE LYS A 19 -4.354 -10.400 -6.194 1.00 0.00 C ATOM 291 NZ LYS A 19 -3.606 -11.040 -5.079 1.00 0.00 N ATOM 0 H LYS A 19 -3.673 -5.974 -3.876 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.728 -7.716 -5.175 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.216 -6.328 -5.850 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.981 -6.058 -7.063 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.010 -7.987 -7.855 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.642 -8.649 -6.983 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.344 -8.662 -4.935 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.554 -8.621 -6.202 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.334 -10.867 -6.288 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.827 -10.575 -7.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.512 -12.059 -5.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.661 -10.613 -5.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.122 -10.896 -4.187 1.00 0.00 H new ATOM 305 N ARG A 20 -1.281 -4.535 -4.802 1.00 0.00 N ATOM 306 CA ARG A 20 -0.366 -3.430 -5.061 1.00 0.00 C ATOM 307 C ARG A 20 0.659 -3.269 -3.948 1.00 0.00 C ATOM 308 O ARG A 20 1.823 -2.966 -4.208 1.00 0.00 O ATOM 309 CB ARG A 20 -1.140 -2.130 -5.268 1.00 0.00 C ATOM 310 CG ARG A 20 -2.018 -2.146 -6.506 1.00 0.00 C ATOM 311 CD ARG A 20 -2.617 -0.779 -6.782 1.00 0.00 C ATOM 312 NE ARG A 20 -1.752 0.034 -7.635 1.00 0.00 N ATOM 313 CZ ARG A 20 -1.968 0.250 -8.929 1.00 0.00 C ATOM 314 NH1 ARG A 20 -2.994 -0.327 -9.545 1.00 0.00 N ATOM 315 NH2 ARG A 20 -1.142 1.032 -9.613 1.00 0.00 N ATOM 0 H ARG A 20 -1.987 -4.348 -4.090 1.00 0.00 H new ATOM 0 HA ARG A 20 0.179 -3.665 -5.975 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.761 -1.942 -4.393 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.434 -1.303 -5.342 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.430 -2.467 -7.366 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.818 -2.875 -6.377 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.589 -0.899 -7.260 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.787 -0.260 -5.839 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.930 0.463 -7.210 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.622 -0.940 -9.025 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.154 -0.157 -10.538 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.345 1.465 -9.146 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.304 1.200 -10.606 1.00 0.00 H new ATOM 329 N ALA A 21 0.240 -3.486 -2.709 1.00 0.00 N ATOM 330 CA ALA A 21 1.159 -3.411 -1.581 1.00 0.00 C ATOM 331 C ALA A 21 2.148 -4.569 -1.631 1.00 0.00 C ATOM 332 O ALA A 21 3.226 -4.503 -1.047 1.00 0.00 O ATOM 333 CB ALA A 21 0.401 -3.417 -0.264 1.00 0.00 C ATOM 0 H ALA A 21 -0.723 -3.714 -2.460 1.00 0.00 H new ATOM 0 HA ALA A 21 1.711 -2.474 -1.650 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.108 -3.360 0.563 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.270 -2.559 -0.227 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.180 -4.336 -0.183 1.00 0.00 H new ATOM 339 N ALA A 22 1.784 -5.620 -2.360 1.00 0.00 N ATOM 340 CA ALA A 22 2.604 -6.826 -2.425 1.00 0.00 C ATOM 341 C ALA A 22 3.945 -6.568 -3.124 1.00 0.00 C ATOM 342 O ALA A 22 5.000 -6.786 -2.519 1.00 0.00 O ATOM 343 CB ALA A 22 1.845 -7.967 -3.092 1.00 0.00 C ATOM 0 H ALA A 22 0.928 -5.661 -2.913 1.00 0.00 H new ATOM 0 HA ALA A 22 2.828 -7.123 -1.400 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.478 -8.853 -3.128 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.944 -8.188 -2.520 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.569 -7.677 -4.106 1.00 0.00 H new ATOM 349 N PRO A 23 3.954 -6.098 -4.394 1.00 0.00 N ATOM 350 CA PRO A 23 5.208 -5.806 -5.092 1.00 0.00 C ATOM 351 C PRO A 23 5.930 -4.613 -4.480 1.00 0.00 C ATOM 352 O PRO A 23 7.162 -4.574 -4.435 1.00 0.00 O ATOM 353 CB PRO A 23 4.769 -5.505 -6.529 1.00 0.00 C ATOM 354 CG PRO A 23 3.350 -5.071 -6.416 1.00 0.00 C ATOM 355 CD PRO A 23 2.777 -5.823 -5.245 1.00 0.00 C ATOM 0 HA PRO A 23 5.916 -6.632 -5.029 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.386 -4.725 -6.975 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.863 -6.387 -7.163 1.00 0.00 H new ATOM 0 HG2 PRO A 23 3.283 -3.994 -6.259 1.00 0.00 H new ATOM 0 HG3 PRO A 23 2.800 -5.295 -7.330 1.00 0.00 H new ATOM 0 HD2 PRO A 23 2.030 -5.231 -4.716 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.288 -6.744 -5.562 1.00 0.00 H new ATOM 363 N PHE A 24 5.158 -3.657 -3.981 1.00 0.00 N ATOM 364 CA PHE A 24 5.714 -2.470 -3.354 1.00 0.00 C ATOM 365 C PHE A 24 6.494 -2.839 -2.097 1.00 0.00 C ATOM 366 O PHE A 24 7.589 -2.327 -1.859 1.00 0.00 O ATOM 367 CB PHE A 24 4.590 -1.491 -3.014 1.00 0.00 C ATOM 368 CG PHE A 24 5.057 -0.090 -2.730 1.00 0.00 C ATOM 369 CD1 PHE A 24 6.336 0.327 -3.076 1.00 0.00 C ATOM 370 CD2 PHE A 24 4.210 0.811 -2.114 1.00 0.00 C ATOM 371 CE1 PHE A 24 6.753 1.615 -2.811 1.00 0.00 C ATOM 372 CE2 PHE A 24 4.625 2.099 -1.847 1.00 0.00 C ATOM 373 CZ PHE A 24 5.896 2.501 -2.196 1.00 0.00 C ATOM 0 H PHE A 24 4.139 -3.683 -4.000 1.00 0.00 H new ATOM 0 HA PHE A 24 6.402 -1.995 -4.053 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.883 -1.465 -3.843 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.049 -1.865 -2.145 1.00 0.00 H new ATOM 0 HD1 PHE A 24 7.011 -0.365 -3.558 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.212 0.503 -1.839 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.750 1.928 -3.085 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.953 2.793 -1.364 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.220 3.510 -1.988 1.00 0.00 H new ATOM 383 N ASN A 25 5.945 -3.755 -1.315 1.00 0.00 N ATOM 384 CA ASN A 25 6.590 -4.181 -0.079 1.00 0.00 C ATOM 385 C ASN A 25 7.808 -5.028 -0.392 1.00 0.00 C ATOM 386 O ASN A 25 8.748 -5.113 0.398 1.00 0.00 O ATOM 387 CB ASN A 25 5.614 -4.961 0.804 1.00 0.00 C ATOM 388 CG ASN A 25 5.993 -4.925 2.271 1.00 0.00 C ATOM 389 OD1 ASN A 25 6.573 -3.952 2.756 1.00 0.00 O ATOM 390 ND2 ASN A 25 5.673 -5.990 2.987 1.00 0.00 N ATOM 0 H ASN A 25 5.057 -4.218 -1.511 1.00 0.00 H new ATOM 0 HA ASN A 25 6.907 -3.293 0.467 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.612 -4.549 0.682 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.576 -5.997 0.468 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.906 -6.026 3.979 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.193 -6.775 2.547 1.00 0.00 H new ATOM 397 N ASN A 26 7.786 -5.630 -1.568 1.00 0.00 N ATOM 398 CA ASN A 26 8.911 -6.417 -2.045 1.00 0.00 C ATOM 399 C ASN A 26 10.046 -5.479 -2.423 1.00 0.00 C ATOM 400 O ASN A 26 11.206 -5.725 -2.114 1.00 0.00 O ATOM 401 CB ASN A 26 8.504 -7.258 -3.259 1.00 0.00 C ATOM 402 CG ASN A 26 8.163 -8.691 -2.898 1.00 0.00 C ATOM 403 OD1 ASN A 26 9.046 -9.518 -2.687 1.00 0.00 O ATOM 404 ND2 ASN A 26 6.876 -8.996 -2.831 1.00 0.00 N ATOM 0 H ASN A 26 6.997 -5.589 -2.214 1.00 0.00 H new ATOM 0 HA ASN A 26 9.236 -7.093 -1.254 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.643 -6.796 -3.742 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.317 -7.255 -3.985 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.589 -9.946 -2.597 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.172 -8.281 -3.013 1.00 0.00 H new ATOM 411 N TRP A 27 9.679 -4.380 -3.070 1.00 0.00 N ATOM 412 CA TRP A 27 10.633 -3.360 -3.482 1.00 0.00 C ATOM 413 C TRP A 27 11.252 -2.697 -2.258 1.00 0.00 C ATOM 414 O TRP A 27 12.471 -2.539 -2.170 1.00 0.00 O ATOM 415 CB TRP A 27 9.917 -2.319 -4.353 1.00 0.00 C ATOM 416 CG TRP A 27 10.776 -1.167 -4.773 1.00 0.00 C ATOM 417 CD1 TRP A 27 11.634 -1.123 -5.834 1.00 0.00 C ATOM 418 CD2 TRP A 27 10.846 0.117 -4.146 1.00 0.00 C ATOM 419 NE1 TRP A 27 12.234 0.111 -5.901 1.00 0.00 N ATOM 420 CE2 TRP A 27 11.764 0.893 -4.879 1.00 0.00 C ATOM 421 CE3 TRP A 27 10.217 0.686 -3.038 1.00 0.00 C ATOM 422 CZ2 TRP A 27 12.069 2.206 -4.532 1.00 0.00 C ATOM 423 CZ3 TRP A 27 10.520 1.989 -2.695 1.00 0.00 C ATOM 424 CH2 TRP A 27 11.437 2.738 -3.444 1.00 0.00 C ATOM 0 H TRP A 27 8.713 -4.171 -3.323 1.00 0.00 H new ATOM 0 HA TRP A 27 11.432 -3.822 -4.062 1.00 0.00 H new ATOM 0 HB2 TRP A 27 9.531 -2.813 -5.245 1.00 0.00 H new ATOM 0 HB3 TRP A 27 9.057 -1.934 -3.805 1.00 0.00 H new ATOM 0 HD1 TRP A 27 11.814 -1.938 -6.519 1.00 0.00 H new ATOM 0 HE1 TRP A 27 12.919 0.399 -6.599 1.00 0.00 H new ATOM 0 HE3 TRP A 27 9.505 0.117 -2.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 12.780 2.784 -5.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 10.043 2.437 -1.836 1.00 0.00 H new ATOM 0 HH2 TRP A 27 11.649 3.757 -3.155 1.00 0.00 H new ATOM 435 N MET A 28 10.395 -2.326 -1.309 1.00 0.00 N ATOM 436 CA MET A 28 10.825 -1.696 -0.063 1.00 0.00 C ATOM 437 C MET A 28 11.864 -2.547 0.658 1.00 0.00 C ATOM 438 O MET A 28 12.822 -2.023 1.220 1.00 0.00 O ATOM 439 CB MET A 28 9.626 -1.472 0.860 1.00 0.00 C ATOM 440 CG MET A 28 8.725 -0.337 0.424 1.00 0.00 C ATOM 441 SD MET A 28 8.890 1.114 1.473 1.00 0.00 S ATOM 442 CE MET A 28 7.582 2.126 0.802 1.00 0.00 C ATOM 0 H MET A 28 9.386 -2.453 -1.382 1.00 0.00 H new ATOM 0 HA MET A 28 11.276 -0.737 -0.317 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.041 -2.390 0.909 1.00 0.00 H new ATOM 0 HB3 MET A 28 9.988 -1.270 1.868 1.00 0.00 H new ATOM 0 HG2 MET A 28 8.960 -0.066 -0.605 1.00 0.00 H new ATOM 0 HG3 MET A 28 7.689 -0.675 0.436 1.00 0.00 H new ATOM 0 HE1 MET A 28 7.241 2.830 1.561 1.00 0.00 H new ATOM 0 HE2 MET A 28 7.954 2.676 -0.062 1.00 0.00 H new ATOM 0 HE3 MET A 28 6.751 1.491 0.497 1.00 0.00 H new ATOM 452 N GLU A 29 11.677 -3.858 0.612 1.00 0.00 N ATOM 453 CA GLU A 29 12.552 -4.781 1.313 1.00 0.00 C ATOM 454 C GLU A 29 13.959 -4.745 0.722 1.00 0.00 C ATOM 455 O GLU A 29 14.935 -4.529 1.445 1.00 0.00 O ATOM 456 CB GLU A 29 11.965 -6.198 1.253 1.00 0.00 C ATOM 457 CG GLU A 29 13.004 -7.306 1.222 1.00 0.00 C ATOM 458 CD GLU A 29 12.804 -8.257 0.059 1.00 0.00 C ATOM 459 OE1 GLU A 29 13.297 -7.963 -1.050 1.00 0.00 O ATOM 460 OE2 GLU A 29 12.149 -9.304 0.250 1.00 0.00 O ATOM 0 H GLU A 29 10.922 -4.307 0.093 1.00 0.00 H new ATOM 0 HA GLU A 29 12.625 -4.478 2.357 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.318 -6.347 2.117 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.337 -6.281 0.366 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.999 -6.865 1.160 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.961 -7.866 2.156 1.00 0.00 H new ATOM 467 N SER A 30 14.060 -4.928 -0.586 1.00 0.00 N ATOM 468 CA SER A 30 15.352 -4.992 -1.244 1.00 0.00 C ATOM 469 C SER A 30 16.054 -3.636 -1.211 1.00 0.00 C ATOM 470 O SER A 30 17.258 -3.552 -0.952 1.00 0.00 O ATOM 471 CB SER A 30 15.171 -5.460 -2.685 1.00 0.00 C ATOM 472 OG SER A 30 13.880 -6.020 -2.877 1.00 0.00 O ATOM 0 H SER A 30 13.261 -5.035 -1.211 1.00 0.00 H new ATOM 0 HA SER A 30 15.979 -5.705 -0.709 1.00 0.00 H new ATOM 0 HB2 SER A 30 15.312 -4.620 -3.365 1.00 0.00 H new ATOM 0 HB3 SER A 30 15.933 -6.200 -2.930 1.00 0.00 H new ATOM 0 HG SER A 30 13.738 -6.743 -2.231 1.00 0.00 H new ATOM 478 N ALA A 31 15.293 -2.577 -1.447 1.00 0.00 N ATOM 479 CA ALA A 31 15.855 -1.240 -1.534 1.00 0.00 C ATOM 480 C ALA A 31 16.354 -0.753 -0.180 1.00 0.00 C ATOM 481 O ALA A 31 17.506 -0.345 -0.051 1.00 0.00 O ATOM 482 CB ALA A 31 14.829 -0.274 -2.089 1.00 0.00 C ATOM 0 H ALA A 31 14.283 -2.620 -1.582 1.00 0.00 H new ATOM 0 HA ALA A 31 16.709 -1.283 -2.210 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.264 0.724 -2.149 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.526 -0.598 -3.085 1.00 0.00 H new ATOM 0 HB3 ALA A 31 13.958 -0.252 -1.434 1.00 0.00 H new ATOM 488 N MET A 32 15.489 -0.812 0.829 1.00 0.00 N ATOM 489 CA MET A 32 15.832 -0.316 2.161 1.00 0.00 C ATOM 490 C MET A 32 17.019 -1.079 2.732 1.00 0.00 C ATOM 491 O MET A 32 17.879 -0.500 3.392 1.00 0.00 O ATOM 492 CB MET A 32 14.633 -0.432 3.105 1.00 0.00 C ATOM 493 CG MET A 32 14.624 0.613 4.208 1.00 0.00 C ATOM 494 SD MET A 32 14.028 -0.042 5.780 1.00 0.00 S ATOM 495 CE MET A 32 12.616 1.021 6.068 1.00 0.00 C ATOM 0 H MET A 32 14.548 -1.197 0.751 1.00 0.00 H new ATOM 0 HA MET A 32 16.105 0.735 2.068 1.00 0.00 H new ATOM 0 HB2 MET A 32 13.714 -0.344 2.525 1.00 0.00 H new ATOM 0 HB3 MET A 32 14.631 -1.424 3.556 1.00 0.00 H new ATOM 0 HG2 MET A 32 15.633 1.004 4.341 1.00 0.00 H new ATOM 0 HG3 MET A 32 13.995 1.450 3.905 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.951 0.554 6.794 1.00 0.00 H new ATOM 0 HE2 MET A 32 12.957 1.982 6.454 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.080 1.175 5.132 1.00 0.00 H new ATOM 505 N GLU A 33 17.070 -2.374 2.446 1.00 0.00 N ATOM 506 CA GLU A 33 18.141 -3.224 2.932 1.00 0.00 C ATOM 507 C GLU A 33 19.475 -2.802 2.330 1.00 0.00 C ATOM 508 O GLU A 33 20.469 -2.661 3.042 1.00 0.00 O ATOM 509 CB GLU A 33 17.849 -4.684 2.587 1.00 0.00 C ATOM 510 CG GLU A 33 18.965 -5.635 2.975 1.00 0.00 C ATOM 511 CD GLU A 33 18.755 -6.249 4.343 1.00 0.00 C ATOM 512 OE1 GLU A 33 17.944 -7.191 4.459 1.00 0.00 O ATOM 513 OE2 GLU A 33 19.403 -5.794 5.310 1.00 0.00 O ATOM 0 H GLU A 33 16.376 -2.858 1.876 1.00 0.00 H new ATOM 0 HA GLU A 33 18.201 -3.119 4.015 1.00 0.00 H new ATOM 0 HB2 GLU A 33 16.931 -4.990 3.089 1.00 0.00 H new ATOM 0 HB3 GLU A 33 17.669 -4.766 1.515 1.00 0.00 H new ATOM 0 HG2 GLU A 33 19.036 -6.429 2.231 1.00 0.00 H new ATOM 0 HG3 GLU A 33 19.915 -5.100 2.962 1.00 0.00 H new ATOM 520 N ASP A 34 19.485 -2.571 1.021 1.00 0.00 N ATOM 521 CA ASP A 34 20.718 -2.220 0.328 1.00 0.00 C ATOM 522 C ASP A 34 21.123 -0.789 0.657 1.00 0.00 C ATOM 523 O ASP A 34 22.305 -0.469 0.727 1.00 0.00 O ATOM 524 CB ASP A 34 20.557 -2.389 -1.190 1.00 0.00 C ATOM 525 CG ASP A 34 21.890 -2.500 -1.914 1.00 0.00 C ATOM 526 OD1 ASP A 34 22.931 -2.681 -1.251 1.00 0.00 O ATOM 527 OD2 ASP A 34 21.909 -2.404 -3.162 1.00 0.00 O ATOM 0 H ASP A 34 18.660 -2.620 0.423 1.00 0.00 H new ATOM 0 HA ASP A 34 21.503 -2.895 0.668 1.00 0.00 H new ATOM 0 HB2 ASP A 34 19.964 -3.281 -1.391 1.00 0.00 H new ATOM 0 HB3 ASP A 34 20.001 -1.540 -1.589 1.00 0.00 H new ATOM 532 N LEU A 35 20.129 0.058 0.903 1.00 0.00 N ATOM 533 CA LEU A 35 20.366 1.481 1.146 1.00 0.00 C ATOM 534 C LEU A 35 21.298 1.720 2.330 1.00 0.00 C ATOM 535 O LEU A 35 22.029 2.707 2.358 1.00 0.00 O ATOM 536 CB LEU A 35 19.040 2.209 1.373 1.00 0.00 C ATOM 537 CG LEU A 35 18.672 3.219 0.284 1.00 0.00 C ATOM 538 CD1 LEU A 35 18.949 2.640 -1.095 1.00 0.00 C ATOM 539 CD2 LEU A 35 17.214 3.632 0.411 1.00 0.00 C ATOM 0 H LEU A 35 19.147 -0.215 0.940 1.00 0.00 H new ATOM 0 HA LEU A 35 20.856 1.880 0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 35 18.243 1.469 1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 35 19.085 2.728 2.331 1.00 0.00 H new ATOM 0 HG LEU A 35 19.291 4.107 0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 35 18.681 3.372 -1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 35 20.008 2.397 -1.181 1.00 0.00 H new ATOM 0 HD13 LEU A 35 18.356 1.736 -1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 35 16.970 4.351 -0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 35 16.577 2.754 0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 35 17.049 4.088 1.387 1.00 0.00 H new ATOM 551 N GLN A 36 21.273 0.816 3.298 1.00 0.00 N ATOM 552 CA GLN A 36 22.122 0.946 4.473 1.00 0.00 C ATOM 553 C GLN A 36 23.337 0.032 4.390 1.00 0.00 C ATOM 554 O GLN A 36 24.277 0.156 5.178 1.00 0.00 O ATOM 555 CB GLN A 36 21.349 0.621 5.746 1.00 0.00 C ATOM 556 CG GLN A 36 20.577 -0.686 5.689 1.00 0.00 C ATOM 557 CD GLN A 36 19.201 -0.545 6.291 1.00 0.00 C ATOM 558 OE1 GLN A 36 18.697 -1.452 6.952 1.00 0.00 O ATOM 559 NE2 GLN A 36 18.585 0.601 6.067 1.00 0.00 N ATOM 0 H GLN A 36 20.677 -0.012 3.294 1.00 0.00 H new ATOM 0 HA GLN A 36 22.458 1.983 4.504 1.00 0.00 H new ATOM 0 HB2 GLN A 36 22.048 0.581 6.582 1.00 0.00 H new ATOM 0 HB3 GLN A 36 20.652 1.433 5.952 1.00 0.00 H new ATOM 0 HG2 GLN A 36 20.490 -1.013 4.653 1.00 0.00 H new ATOM 0 HG3 GLN A 36 21.130 -1.460 6.222 1.00 0.00 H new ATOM 0 HE21 GLN A 36 19.041 1.326 5.513 1.00 0.00 H new ATOM 0 HE22 GLN A 36 17.653 0.762 6.448 1.00 0.00 H new ATOM 568 N ASP A 37 23.317 -0.883 3.441 1.00 0.00 N ATOM 569 CA ASP A 37 24.345 -1.911 3.356 1.00 0.00 C ATOM 570 C ASP A 37 25.576 -1.414 2.612 1.00 0.00 C ATOM 571 O ASP A 37 25.486 -0.532 1.750 1.00 0.00 O ATOM 572 CB ASP A 37 23.795 -3.166 2.680 1.00 0.00 C ATOM 573 CG ASP A 37 23.992 -4.403 3.529 1.00 0.00 C ATOM 574 OD1 ASP A 37 23.272 -4.558 4.541 1.00 0.00 O ATOM 575 OD2 ASP A 37 24.876 -5.220 3.202 1.00 0.00 O ATOM 0 H ASP A 37 22.602 -0.939 2.716 1.00 0.00 H new ATOM 0 HA ASP A 37 24.645 -2.157 4.375 1.00 0.00 H new ATOM 0 HB2 ASP A 37 22.733 -3.032 2.477 1.00 0.00 H new ATOM 0 HB3 ASP A 37 24.288 -3.305 1.718 1.00 0.00 H new ATOM 580 N MET A 38 26.727 -1.981 2.946 1.00 0.00 N ATOM 581 CA MET A 38 27.977 -1.597 2.316 1.00 0.00 C ATOM 582 C MET A 38 28.184 -2.376 1.031 1.00 0.00 C ATOM 583 O MET A 38 28.409 -3.589 1.046 1.00 0.00 O ATOM 584 CB MET A 38 29.157 -1.815 3.255 1.00 0.00 C ATOM 585 CG MET A 38 30.043 -0.588 3.412 1.00 0.00 C ATOM 586 SD MET A 38 31.249 -0.424 2.080 1.00 0.00 S ATOM 587 CE MET A 38 31.914 1.205 2.427 1.00 0.00 C ATOM 0 H MET A 38 26.818 -2.711 3.653 1.00 0.00 H new ATOM 0 HA MET A 38 27.920 -0.534 2.082 1.00 0.00 H new ATOM 0 HB2 MET A 38 28.782 -2.110 4.235 1.00 0.00 H new ATOM 0 HB3 MET A 38 29.760 -2.643 2.882 1.00 0.00 H new ATOM 0 HG2 MET A 38 29.418 0.305 3.443 1.00 0.00 H new ATOM 0 HG3 MET A 38 30.567 -0.643 4.366 1.00 0.00 H new ATOM 0 HE1 MET A 38 32.675 1.452 1.687 1.00 0.00 H new ATOM 0 HE2 MET A 38 31.112 1.942 2.383 1.00 0.00 H new ATOM 0 HE3 MET A 38 32.359 1.212 3.422 1.00 0.00 H new ATOM 597 N PHE A 39 28.102 -1.661 -0.069 1.00 0.00 N ATOM 598 CA PHE A 39 28.241 -2.242 -1.391 1.00 0.00 C ATOM 599 C PHE A 39 29.674 -2.693 -1.643 1.00 0.00 C ATOM 600 O PHE A 39 30.633 -2.021 -1.253 1.00 0.00 O ATOM 601 CB PHE A 39 27.825 -1.219 -2.454 1.00 0.00 C ATOM 602 CG PHE A 39 28.493 0.121 -2.287 1.00 0.00 C ATOM 603 CD1 PHE A 39 27.957 1.080 -1.441 1.00 0.00 C ATOM 604 CD2 PHE A 39 29.668 0.413 -2.965 1.00 0.00 C ATOM 605 CE1 PHE A 39 28.578 2.302 -1.277 1.00 0.00 C ATOM 606 CE2 PHE A 39 30.293 1.632 -2.802 1.00 0.00 C ATOM 607 CZ PHE A 39 29.747 2.576 -1.956 1.00 0.00 C ATOM 0 H PHE A 39 27.936 -0.655 -0.074 1.00 0.00 H new ATOM 0 HA PHE A 39 27.592 -3.116 -1.450 1.00 0.00 H new ATOM 0 HB2 PHE A 39 28.063 -1.615 -3.441 1.00 0.00 H new ATOM 0 HB3 PHE A 39 26.744 -1.085 -2.416 1.00 0.00 H new ATOM 0 HD1 PHE A 39 27.044 0.869 -0.905 1.00 0.00 H new ATOM 0 HD2 PHE A 39 30.098 -0.323 -3.628 1.00 0.00 H new ATOM 0 HE1 PHE A 39 28.149 3.042 -0.618 1.00 0.00 H new ATOM 0 HE2 PHE A 39 31.207 1.847 -3.335 1.00 0.00 H new ATOM 0 HZ PHE A 39 30.236 3.530 -1.825 1.00 0.00 H new ATOM 617 N ILE A 40 29.815 -3.839 -2.281 1.00 0.00 N ATOM 618 CA ILE A 40 31.121 -4.323 -2.684 1.00 0.00 C ATOM 619 C ILE A 40 31.292 -4.186 -4.197 1.00 0.00 C ATOM 620 O ILE A 40 30.391 -4.508 -4.975 1.00 0.00 O ATOM 621 CB ILE A 40 31.359 -5.783 -2.226 1.00 0.00 C ATOM 622 CG1 ILE A 40 32.858 -6.084 -2.174 1.00 0.00 C ATOM 623 CG2 ILE A 40 30.647 -6.778 -3.126 1.00 0.00 C ATOM 624 CD1 ILE A 40 33.571 -5.373 -1.045 1.00 0.00 C ATOM 0 H ILE A 40 29.040 -4.453 -2.532 1.00 0.00 H new ATOM 0 HA ILE A 40 31.874 -3.708 -2.191 1.00 0.00 H new ATOM 0 HB ILE A 40 30.940 -5.890 -1.225 1.00 0.00 H new ATOM 0 HG12 ILE A 40 33.002 -7.159 -2.066 1.00 0.00 H new ATOM 0 HG13 ILE A 40 33.313 -5.795 -3.121 1.00 0.00 H new ATOM 0 HG21 ILE A 40 30.838 -7.791 -2.772 1.00 0.00 H new ATOM 0 HG22 ILE A 40 29.575 -6.583 -3.107 1.00 0.00 H new ATOM 0 HG23 ILE A 40 31.016 -6.675 -4.146 1.00 0.00 H new ATOM 0 HD11 ILE A 40 34.630 -5.630 -1.065 1.00 0.00 H new ATOM 0 HD12 ILE A 40 33.456 -4.296 -1.164 1.00 0.00 H new ATOM 0 HD13 ILE A 40 33.141 -5.681 -0.092 1.00 0.00 H new ATOM 636 N VAL A 41 32.430 -3.659 -4.609 1.00 0.00 N ATOM 637 CA VAL A 41 32.708 -3.462 -6.022 1.00 0.00 C ATOM 638 C VAL A 41 33.923 -4.276 -6.451 1.00 0.00 C ATOM 639 O VAL A 41 34.716 -4.712 -5.618 1.00 0.00 O ATOM 640 CB VAL A 41 32.944 -1.972 -6.353 1.00 0.00 C ATOM 641 CG1 VAL A 41 31.744 -1.128 -5.948 1.00 0.00 C ATOM 642 CG2 VAL A 41 34.212 -1.463 -5.684 1.00 0.00 C ATOM 0 H VAL A 41 33.179 -3.359 -3.985 1.00 0.00 H new ATOM 0 HA VAL A 41 31.831 -3.803 -6.572 1.00 0.00 H new ATOM 0 HB VAL A 41 33.070 -1.883 -7.432 1.00 0.00 H new ATOM 0 HG11 VAL A 41 31.935 -0.083 -6.192 1.00 0.00 H new ATOM 0 HG12 VAL A 41 30.860 -1.470 -6.486 1.00 0.00 H new ATOM 0 HG13 VAL A 41 31.576 -1.226 -4.875 1.00 0.00 H new ATOM 0 HG21 VAL A 41 34.357 -0.411 -5.932 1.00 0.00 H new ATOM 0 HG22 VAL A 41 34.122 -1.572 -4.603 1.00 0.00 H new ATOM 0 HG23 VAL A 41 35.067 -2.040 -6.037 1.00 0.00 H new ATOM 652 N HIS A 42 34.052 -4.496 -7.749 1.00 0.00 N ATOM 653 CA HIS A 42 35.189 -5.233 -8.287 1.00 0.00 C ATOM 654 C HIS A 42 35.971 -4.370 -9.269 1.00 0.00 C ATOM 655 O HIS A 42 37.191 -4.238 -9.166 1.00 0.00 O ATOM 656 CB HIS A 42 34.724 -6.522 -8.971 1.00 0.00 C ATOM 657 CG HIS A 42 33.881 -7.398 -8.092 1.00 0.00 C ATOM 658 ND1 HIS A 42 32.520 -7.238 -7.960 1.00 0.00 N ATOM 659 CD2 HIS A 42 34.214 -8.432 -7.288 1.00 0.00 C ATOM 660 CE1 HIS A 42 32.053 -8.135 -7.113 1.00 0.00 C ATOM 661 NE2 HIS A 42 33.059 -8.871 -6.687 1.00 0.00 N ATOM 0 H HIS A 42 33.385 -4.176 -8.451 1.00 0.00 H new ATOM 0 HA HIS A 42 35.844 -5.498 -7.457 1.00 0.00 H new ATOM 0 HB2 HIS A 42 34.156 -6.264 -9.865 1.00 0.00 H new ATOM 0 HB3 HIS A 42 35.598 -7.085 -9.300 1.00 0.00 H new ATOM 0 HD1 HIS A 42 31.960 -6.535 -8.442 1.00 0.00 H new ATOM 0 HD2 HIS A 42 35.204 -8.838 -7.144 1.00 0.00 H new ATOM 0 HE1 HIS A 42 31.020 -8.247 -6.818 1.00 0.00 H new ATOM 670 N THR A 43 35.264 -3.775 -10.220 1.00 0.00 N ATOM 671 CA THR A 43 35.893 -2.916 -11.211 1.00 0.00 C ATOM 672 C THR A 43 35.452 -1.465 -11.036 1.00 0.00 C ATOM 673 O THR A 43 34.518 -1.178 -10.283 1.00 0.00 O ATOM 674 CB THR A 43 35.553 -3.384 -12.639 1.00 0.00 C ATOM 675 OG1 THR A 43 34.248 -3.977 -12.661 1.00 0.00 O ATOM 676 CG2 THR A 43 36.578 -4.390 -13.139 1.00 0.00 C ATOM 0 H THR A 43 34.254 -3.872 -10.325 1.00 0.00 H new ATOM 0 HA THR A 43 36.971 -2.980 -11.061 1.00 0.00 H new ATOM 0 HB THR A 43 35.571 -2.514 -13.296 1.00 0.00 H new ATOM 0 HG1 THR A 43 34.037 -4.271 -13.572 1.00 0.00 H new ATOM 0 HG21 THR A 43 36.316 -4.705 -14.149 1.00 0.00 H new ATOM 0 HG22 THR A 43 37.566 -3.929 -13.147 1.00 0.00 H new ATOM 0 HG23 THR A 43 36.588 -5.258 -12.479 1.00 0.00 H new ATOM 684 N ILE A 44 36.133 -0.556 -11.728 1.00 0.00 N ATOM 685 CA ILE A 44 35.789 0.862 -11.703 1.00 0.00 C ATOM 686 C ILE A 44 34.355 1.078 -12.195 1.00 0.00 C ATOM 687 O ILE A 44 33.582 1.826 -11.594 1.00 0.00 O ATOM 688 CB ILE A 44 36.786 1.700 -12.554 1.00 0.00 C ATOM 689 CG1 ILE A 44 36.192 3.058 -12.940 1.00 0.00 C ATOM 690 CG2 ILE A 44 37.214 0.940 -13.800 1.00 0.00 C ATOM 691 CD1 ILE A 44 35.961 3.974 -11.763 1.00 0.00 C ATOM 0 H ILE A 44 36.934 -0.780 -12.318 1.00 0.00 H new ATOM 0 HA ILE A 44 35.859 1.203 -10.670 1.00 0.00 H new ATOM 0 HB ILE A 44 37.666 1.879 -11.936 1.00 0.00 H new ATOM 0 HG12 ILE A 44 36.861 3.550 -13.647 1.00 0.00 H new ATOM 0 HG13 ILE A 44 35.245 2.897 -13.456 1.00 0.00 H new ATOM 0 HG21 ILE A 44 37.911 1.549 -14.376 1.00 0.00 H new ATOM 0 HG22 ILE A 44 37.701 0.009 -13.509 1.00 0.00 H new ATOM 0 HG23 ILE A 44 36.338 0.717 -14.409 1.00 0.00 H new ATOM 0 HD11 ILE A 44 35.539 4.916 -12.113 1.00 0.00 H new ATOM 0 HD12 ILE A 44 35.268 3.503 -11.066 1.00 0.00 H new ATOM 0 HD13 ILE A 44 36.909 4.165 -11.259 1.00 0.00 H new ATOM 703 N GLU A 45 34.004 0.394 -13.271 1.00 0.00 N ATOM 704 CA GLU A 45 32.676 0.468 -13.848 1.00 0.00 C ATOM 705 C GLU A 45 31.610 0.059 -12.834 1.00 0.00 C ATOM 706 O GLU A 45 30.503 0.589 -12.835 1.00 0.00 O ATOM 707 CB GLU A 45 32.610 -0.437 -15.072 1.00 0.00 C ATOM 708 CG GLU A 45 33.588 -0.056 -16.174 1.00 0.00 C ATOM 709 CD GLU A 45 34.939 -0.729 -16.023 1.00 0.00 C ATOM 710 OE1 GLU A 45 35.145 -1.445 -15.017 1.00 0.00 O ATOM 711 OE2 GLU A 45 35.804 -0.548 -16.903 1.00 0.00 O ATOM 0 H GLU A 45 34.637 -0.231 -13.770 1.00 0.00 H new ATOM 0 HA GLU A 45 32.479 1.499 -14.140 1.00 0.00 H new ATOM 0 HB2 GLU A 45 32.807 -1.464 -14.764 1.00 0.00 H new ATOM 0 HB3 GLU A 45 31.597 -0.414 -15.475 1.00 0.00 H new ATOM 0 HG2 GLU A 45 33.161 -0.323 -17.140 1.00 0.00 H new ATOM 0 HG3 GLU A 45 33.724 1.025 -16.174 1.00 0.00 H new ATOM 718 N GLU A 46 31.959 -0.878 -11.961 1.00 0.00 N ATOM 719 CA GLU A 46 31.049 -1.335 -10.920 1.00 0.00 C ATOM 720 C GLU A 46 30.798 -0.243 -9.895 1.00 0.00 C ATOM 721 O GLU A 46 29.688 -0.105 -9.384 1.00 0.00 O ATOM 722 CB GLU A 46 31.616 -2.571 -10.229 1.00 0.00 C ATOM 723 CG GLU A 46 31.411 -3.849 -11.013 1.00 0.00 C ATOM 724 CD GLU A 46 31.498 -5.083 -10.142 1.00 0.00 C ATOM 725 OE1 GLU A 46 31.507 -4.938 -8.900 1.00 0.00 O ATOM 726 OE2 GLU A 46 31.584 -6.197 -10.685 1.00 0.00 O ATOM 0 H GLU A 46 32.870 -1.337 -11.954 1.00 0.00 H new ATOM 0 HA GLU A 46 30.100 -1.589 -11.392 1.00 0.00 H new ATOM 0 HB2 GLU A 46 32.683 -2.425 -10.060 1.00 0.00 H new ATOM 0 HB3 GLU A 46 31.149 -2.676 -9.250 1.00 0.00 H new ATOM 0 HG2 GLU A 46 30.436 -3.820 -11.500 1.00 0.00 H new ATOM 0 HG3 GLU A 46 32.160 -3.912 -11.802 1.00 0.00 H new ATOM 733 N ILE A 47 31.830 0.541 -9.609 1.00 0.00 N ATOM 734 CA ILE A 47 31.710 1.637 -8.665 1.00 0.00 C ATOM 735 C ILE A 47 30.785 2.709 -9.238 1.00 0.00 C ATOM 736 O ILE A 47 30.010 3.324 -8.515 1.00 0.00 O ATOM 737 CB ILE A 47 33.104 2.229 -8.296 1.00 0.00 C ATOM 738 CG1 ILE A 47 33.329 2.161 -6.780 1.00 0.00 C ATOM 739 CG2 ILE A 47 33.269 3.665 -8.786 1.00 0.00 C ATOM 740 CD1 ILE A 47 32.155 2.656 -5.962 1.00 0.00 C ATOM 0 H ILE A 47 32.758 0.436 -10.019 1.00 0.00 H new ATOM 0 HA ILE A 47 31.275 1.255 -7.741 1.00 0.00 H new ATOM 0 HB ILE A 47 33.855 1.622 -8.802 1.00 0.00 H new ATOM 0 HG12 ILE A 47 33.545 1.130 -6.501 1.00 0.00 H new ATOM 0 HG13 ILE A 47 34.210 2.751 -6.527 1.00 0.00 H new ATOM 0 HG21 ILE A 47 34.255 4.034 -8.505 1.00 0.00 H new ATOM 0 HG22 ILE A 47 33.166 3.693 -9.871 1.00 0.00 H new ATOM 0 HG23 ILE A 47 32.504 4.294 -8.332 1.00 0.00 H new ATOM 0 HD11 ILE A 47 32.391 2.576 -4.901 1.00 0.00 H new ATOM 0 HD12 ILE A 47 31.951 3.697 -6.211 1.00 0.00 H new ATOM 0 HD13 ILE A 47 31.276 2.051 -6.184 1.00 0.00 H new ATOM 752 N GLU A 48 30.845 2.882 -10.555 1.00 0.00 N ATOM 753 CA GLU A 48 30.010 3.860 -11.239 1.00 0.00 C ATOM 754 C GLU A 48 28.598 3.314 -11.403 1.00 0.00 C ATOM 755 O GLU A 48 27.622 4.062 -11.362 1.00 0.00 O ATOM 756 CB GLU A 48 30.607 4.212 -12.601 1.00 0.00 C ATOM 757 CG GLU A 48 31.743 5.219 -12.524 1.00 0.00 C ATOM 758 CD GLU A 48 31.294 6.631 -12.834 1.00 0.00 C ATOM 759 OE1 GLU A 48 31.134 6.963 -14.028 1.00 0.00 O ATOM 760 OE2 GLU A 48 31.116 7.427 -11.883 1.00 0.00 O ATOM 0 H GLU A 48 31.465 2.355 -11.170 1.00 0.00 H new ATOM 0 HA GLU A 48 29.968 4.768 -10.638 1.00 0.00 H new ATOM 0 HB2 GLU A 48 30.972 3.301 -13.075 1.00 0.00 H new ATOM 0 HB3 GLU A 48 29.821 4.612 -13.241 1.00 0.00 H new ATOM 0 HG2 GLU A 48 32.180 5.192 -11.526 1.00 0.00 H new ATOM 0 HG3 GLU A 48 32.527 4.930 -13.223 1.00 0.00 H new ATOM 767 N GLY A 49 28.502 2.001 -11.568 1.00 0.00 N ATOM 768 CA GLY A 49 27.208 1.357 -11.694 1.00 0.00 C ATOM 769 C GLY A 49 26.480 1.345 -10.372 1.00 0.00 C ATOM 770 O GLY A 49 25.252 1.396 -10.315 1.00 0.00 O ATOM 0 H GLY A 49 29.300 1.368 -11.617 1.00 0.00 H new ATOM 0 HA2 GLY A 49 26.608 1.880 -12.439 1.00 0.00 H new ATOM 0 HA3 GLY A 49 27.339 0.335 -12.050 1.00 0.00 H new ATOM 774 N LEU A 50 27.258 1.283 -9.304 1.00 0.00 N ATOM 775 CA LEU A 50 26.730 1.400 -7.958 1.00 0.00 C ATOM 776 C LEU A 50 26.088 2.766 -7.762 1.00 0.00 C ATOM 777 O LEU A 50 25.046 2.894 -7.117 1.00 0.00 O ATOM 778 CB LEU A 50 27.851 1.208 -6.945 1.00 0.00 C ATOM 779 CG LEU A 50 27.637 0.088 -5.936 1.00 0.00 C ATOM 780 CD1 LEU A 50 26.175 -0.009 -5.521 1.00 0.00 C ATOM 781 CD2 LEU A 50 28.125 -1.236 -6.499 1.00 0.00 C ATOM 0 H LEU A 50 28.268 1.151 -9.347 1.00 0.00 H new ATOM 0 HA LEU A 50 25.974 0.630 -7.809 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.777 1.014 -7.486 1.00 0.00 H new ATOM 0 HB3 LEU A 50 27.990 2.142 -6.401 1.00 0.00 H new ATOM 0 HG LEU A 50 28.220 0.322 -5.045 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.054 -0.818 -4.800 1.00 0.00 H new ATOM 0 HD12 LEU A 50 25.862 0.931 -5.067 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.560 -0.210 -6.398 1.00 0.00 H new ATOM 0 HD21 LEU A 50 27.964 -2.025 -5.764 1.00 0.00 H new ATOM 0 HD22 LEU A 50 27.573 -1.470 -7.409 1.00 0.00 H new ATOM 0 HD23 LEU A 50 29.188 -1.164 -6.728 1.00 0.00 H new ATOM 793 N ILE A 51 26.733 3.787 -8.310 1.00 0.00 N ATOM 794 CA ILE A 51 26.174 5.136 -8.293 1.00 0.00 C ATOM 795 C ILE A 51 24.841 5.159 -9.030 1.00 0.00 C ATOM 796 O ILE A 51 23.881 5.782 -8.574 1.00 0.00 O ATOM 797 CB ILE A 51 27.113 6.184 -8.933 1.00 0.00 C ATOM 798 CG1 ILE A 51 28.577 5.915 -8.567 1.00 0.00 C ATOM 799 CG2 ILE A 51 26.705 7.589 -8.505 1.00 0.00 C ATOM 800 CD1 ILE A 51 28.896 6.122 -7.102 1.00 0.00 C ATOM 0 H ILE A 51 27.640 3.710 -8.770 1.00 0.00 H new ATOM 0 HA ILE A 51 26.041 5.402 -7.244 1.00 0.00 H new ATOM 0 HB ILE A 51 27.020 6.105 -10.016 1.00 0.00 H new ATOM 0 HG12 ILE A 51 28.826 4.890 -8.841 1.00 0.00 H new ATOM 0 HG13 ILE A 51 29.215 6.568 -9.163 1.00 0.00 H new ATOM 0 HG21 ILE A 51 27.374 8.318 -8.963 1.00 0.00 H new ATOM 0 HG22 ILE A 51 25.682 7.784 -8.826 1.00 0.00 H new ATOM 0 HG23 ILE A 51 26.767 7.671 -7.420 1.00 0.00 H new ATOM 0 HD11 ILE A 51 29.951 5.911 -6.926 1.00 0.00 H new ATOM 0 HD12 ILE A 51 28.681 7.154 -6.825 1.00 0.00 H new ATOM 0 HD13 ILE A 51 28.286 5.450 -6.498 1.00 0.00 H new ATOM 812 N SER A 52 24.781 4.465 -10.162 1.00 0.00 N ATOM 813 CA SER A 52 23.549 4.345 -10.925 1.00 0.00 C ATOM 814 C SER A 52 22.461 3.672 -10.099 1.00 0.00 C ATOM 815 O SER A 52 21.286 3.988 -10.240 1.00 0.00 O ATOM 816 CB SER A 52 23.794 3.557 -12.212 1.00 0.00 C ATOM 817 OG SER A 52 25.080 3.833 -12.733 1.00 0.00 O ATOM 0 H SER A 52 25.577 3.976 -10.571 1.00 0.00 H new ATOM 0 HA SER A 52 23.213 5.349 -11.184 1.00 0.00 H new ATOM 0 HB2 SER A 52 23.698 2.489 -12.014 1.00 0.00 H new ATOM 0 HB3 SER A 52 23.035 3.813 -12.951 1.00 0.00 H new ATOM 0 HG SER A 52 25.217 3.318 -13.555 1.00 0.00 H new ATOM 823 N ALA A 53 22.854 2.761 -9.217 1.00 0.00 N ATOM 824 CA ALA A 53 21.898 2.084 -8.349 1.00 0.00 C ATOM 825 C ALA A 53 21.343 3.040 -7.295 1.00 0.00 C ATOM 826 O ALA A 53 20.436 2.698 -6.540 1.00 0.00 O ATOM 827 CB ALA A 53 22.539 0.871 -7.690 1.00 0.00 C ATOM 0 H ALA A 53 23.824 2.475 -9.084 1.00 0.00 H new ATOM 0 HA ALA A 53 21.066 1.742 -8.964 1.00 0.00 H new ATOM 0 HB1 ALA A 53 21.810 0.379 -7.046 1.00 0.00 H new ATOM 0 HB2 ALA A 53 22.874 0.174 -8.458 1.00 0.00 H new ATOM 0 HB3 ALA A 53 23.393 1.190 -7.093 1.00 0.00 H new ATOM 833 N HIS A 54 21.906 4.237 -7.235 1.00 0.00 N ATOM 834 CA HIS A 54 21.370 5.289 -6.393 1.00 0.00 C ATOM 835 C HIS A 54 20.625 6.301 -7.249 1.00 0.00 C ATOM 836 O HIS A 54 19.535 6.749 -6.893 1.00 0.00 O ATOM 837 CB HIS A 54 22.490 5.980 -5.619 1.00 0.00 C ATOM 838 CG HIS A 54 22.095 6.381 -4.231 1.00 0.00 C ATOM 839 ND1 HIS A 54 21.051 5.794 -3.546 1.00 0.00 N ATOM 840 CD2 HIS A 54 22.613 7.311 -3.397 1.00 0.00 C ATOM 841 CE1 HIS A 54 20.949 6.347 -2.353 1.00 0.00 C ATOM 842 NE2 HIS A 54 21.882 7.271 -2.238 1.00 0.00 N ATOM 0 H HIS A 54 22.738 4.502 -7.763 1.00 0.00 H new ATOM 0 HA HIS A 54 20.679 4.846 -5.676 1.00 0.00 H new ATOM 0 HB2 HIS A 54 23.350 5.312 -5.565 1.00 0.00 H new ATOM 0 HB3 HIS A 54 22.808 6.866 -6.168 1.00 0.00 H new ATOM 0 HD2 HIS A 54 23.448 7.964 -3.605 1.00 0.00 H new ATOM 0 HE1 HIS A 54 20.223 6.086 -1.597 1.00 0.00 H new ATOM 0 HE2 HIS A 54 22.035 7.860 -1.420 1.00 0.00 H new ATOM 851 N ASP A 55 21.215 6.626 -8.389 1.00 0.00 N ATOM 852 CA ASP A 55 20.634 7.581 -9.325 1.00 0.00 C ATOM 853 C ASP A 55 19.333 7.050 -9.918 1.00 0.00 C ATOM 854 O ASP A 55 18.319 7.747 -9.935 1.00 0.00 O ATOM 855 CB ASP A 55 21.629 7.891 -10.444 1.00 0.00 C ATOM 856 CG ASP A 55 21.158 9.022 -11.334 1.00 0.00 C ATOM 857 OD1 ASP A 55 20.787 10.088 -10.803 1.00 0.00 O ATOM 858 OD2 ASP A 55 21.168 8.850 -12.571 1.00 0.00 O ATOM 0 H ASP A 55 22.108 6.237 -8.693 1.00 0.00 H new ATOM 0 HA ASP A 55 20.410 8.496 -8.778 1.00 0.00 H new ATOM 0 HB2 ASP A 55 22.593 8.152 -10.008 1.00 0.00 H new ATOM 0 HB3 ASP A 55 21.784 6.997 -11.048 1.00 0.00 H new ATOM 863 N GLN A 56 19.354 5.803 -10.377 1.00 0.00 N ATOM 864 CA GLN A 56 18.165 5.186 -10.949 1.00 0.00 C ATOM 865 C GLN A 56 17.168 4.872 -9.851 1.00 0.00 C ATOM 866 O GLN A 56 15.972 4.745 -10.097 1.00 0.00 O ATOM 867 CB GLN A 56 18.523 3.915 -11.717 1.00 0.00 C ATOM 868 CG GLN A 56 19.504 4.147 -12.854 1.00 0.00 C ATOM 869 CD GLN A 56 18.865 3.998 -14.220 1.00 0.00 C ATOM 870 OE1 GLN A 56 18.171 3.020 -14.490 1.00 0.00 O ATOM 871 NE2 GLN A 56 19.105 4.962 -15.094 1.00 0.00 N ATOM 0 H GLN A 56 20.178 5.203 -10.364 1.00 0.00 H new ATOM 0 HA GLN A 56 17.716 5.889 -11.651 1.00 0.00 H new ATOM 0 HB2 GLN A 56 18.948 3.189 -11.024 1.00 0.00 H new ATOM 0 HB3 GLN A 56 17.611 3.475 -12.120 1.00 0.00 H new ATOM 0 HG2 GLN A 56 19.928 5.147 -12.763 1.00 0.00 H new ATOM 0 HG3 GLN A 56 20.330 3.441 -12.765 1.00 0.00 H new ATOM 0 HE21 GLN A 56 19.687 5.757 -14.829 1.00 0.00 H new ATOM 0 HE22 GLN A 56 18.708 4.910 -16.032 1.00 0.00 H new ATOM 880 N PHE A 57 17.671 4.776 -8.626 1.00 0.00 N ATOM 881 CA PHE A 57 16.822 4.567 -7.466 1.00 0.00 C ATOM 882 C PHE A 57 15.994 5.817 -7.225 1.00 0.00 C ATOM 883 O PHE A 57 14.817 5.743 -6.877 1.00 0.00 O ATOM 884 CB PHE A 57 17.668 4.225 -6.233 1.00 0.00 C ATOM 885 CG PHE A 57 16.877 4.147 -4.961 1.00 0.00 C ATOM 886 CD1 PHE A 57 16.044 3.069 -4.719 1.00 0.00 C ATOM 887 CD2 PHE A 57 16.971 5.146 -4.007 1.00 0.00 C ATOM 888 CE1 PHE A 57 15.315 2.988 -3.550 1.00 0.00 C ATOM 889 CE2 PHE A 57 16.244 5.074 -2.836 1.00 0.00 C ATOM 890 CZ PHE A 57 15.415 3.993 -2.609 1.00 0.00 C ATOM 0 H PHE A 57 18.666 4.840 -8.413 1.00 0.00 H new ATOM 0 HA PHE A 57 16.154 3.726 -7.651 1.00 0.00 H new ATOM 0 HB2 PHE A 57 18.167 3.270 -6.399 1.00 0.00 H new ATOM 0 HB3 PHE A 57 18.449 4.977 -6.119 1.00 0.00 H new ATOM 0 HD1 PHE A 57 15.963 2.282 -5.454 1.00 0.00 H new ATOM 0 HD2 PHE A 57 17.621 5.991 -4.181 1.00 0.00 H new ATOM 0 HE1 PHE A 57 14.669 2.141 -3.372 1.00 0.00 H new ATOM 0 HE2 PHE A 57 16.323 5.860 -2.100 1.00 0.00 H new ATOM 0 HZ PHE A 57 14.844 3.934 -1.694 1.00 0.00 H new ATOM 900 N LYS A 58 16.619 6.967 -7.448 1.00 0.00 N ATOM 901 CA LYS A 58 15.931 8.244 -7.372 1.00 0.00 C ATOM 902 C LYS A 58 14.891 8.345 -8.476 1.00 0.00 C ATOM 903 O LYS A 58 13.927 9.100 -8.378 1.00 0.00 O ATOM 904 CB LYS A 58 16.935 9.392 -7.505 1.00 0.00 C ATOM 905 CG LYS A 58 17.894 9.501 -6.333 1.00 0.00 C ATOM 906 CD LYS A 58 17.170 9.323 -5.011 1.00 0.00 C ATOM 907 CE LYS A 58 16.098 10.382 -4.823 1.00 0.00 C ATOM 908 NZ LYS A 58 16.666 11.756 -4.803 1.00 0.00 N ATOM 0 H LYS A 58 17.609 7.038 -7.684 1.00 0.00 H new ATOM 0 HA LYS A 58 15.433 8.314 -6.405 1.00 0.00 H new ATOM 0 HB2 LYS A 58 17.509 9.257 -8.422 1.00 0.00 H new ATOM 0 HB3 LYS A 58 16.390 10.330 -7.606 1.00 0.00 H new ATOM 0 HG2 LYS A 58 18.675 8.746 -6.427 1.00 0.00 H new ATOM 0 HG3 LYS A 58 18.387 10.473 -6.352 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.717 8.333 -4.973 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.886 9.378 -4.191 1.00 0.00 H new ATOM 0 HE2 LYS A 58 15.367 10.304 -5.628 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.566 10.197 -3.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.942 12.426 -4.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 17.483 11.785 -4.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 16.971 12.020 -5.762 1.00 0.00 H new ATOM 922 N SER A 59 15.098 7.558 -9.517 1.00 0.00 N ATOM 923 CA SER A 59 14.225 7.568 -10.686 1.00 0.00 C ATOM 924 C SER A 59 13.012 6.666 -10.473 1.00 0.00 C ATOM 925 O SER A 59 11.943 6.907 -11.029 1.00 0.00 O ATOM 926 CB SER A 59 15.004 7.134 -11.933 1.00 0.00 C ATOM 927 OG SER A 59 16.309 7.695 -11.944 1.00 0.00 O ATOM 0 H SER A 59 15.871 6.896 -9.580 1.00 0.00 H new ATOM 0 HA SER A 59 13.865 8.586 -10.833 1.00 0.00 H new ATOM 0 HB2 SER A 59 15.072 6.047 -11.962 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.465 7.444 -12.828 1.00 0.00 H new ATOM 0 HG SER A 59 16.776 7.453 -11.117 1.00 0.00 H new ATOM 933 N THR A 60 13.180 5.627 -9.664 1.00 0.00 N ATOM 934 CA THR A 60 12.069 4.752 -9.318 1.00 0.00 C ATOM 935 C THR A 60 11.209 5.377 -8.223 1.00 0.00 C ATOM 936 O THR A 60 10.049 5.006 -8.037 1.00 0.00 O ATOM 937 CB THR A 60 12.571 3.377 -8.841 1.00 0.00 C ATOM 938 OG1 THR A 60 13.954 3.462 -8.466 1.00 0.00 O ATOM 939 CG2 THR A 60 12.404 2.326 -9.927 1.00 0.00 C ATOM 0 H THR A 60 14.071 5.371 -9.238 1.00 0.00 H new ATOM 0 HA THR A 60 11.470 4.618 -10.218 1.00 0.00 H new ATOM 0 HB THR A 60 11.974 3.082 -7.978 1.00 0.00 H new ATOM 0 HG1 THR A 60 14.072 4.182 -7.811 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.767 1.365 -9.562 1.00 0.00 H new ATOM 0 HG22 THR A 60 11.350 2.240 -10.191 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.975 2.619 -10.808 1.00 0.00 H new ATOM 947 N LEU A 61 11.791 6.340 -7.513 1.00 0.00 N ATOM 948 CA LEU A 61 11.123 6.989 -6.388 1.00 0.00 C ATOM 949 C LEU A 61 9.792 7.636 -6.789 1.00 0.00 C ATOM 950 O LEU A 61 8.781 7.363 -6.153 1.00 0.00 O ATOM 951 CB LEU A 61 12.043 8.029 -5.738 1.00 0.00 C ATOM 952 CG LEU A 61 13.054 7.480 -4.721 1.00 0.00 C ATOM 953 CD1 LEU A 61 13.327 8.504 -3.634 1.00 0.00 C ATOM 954 CD2 LEU A 61 12.563 6.181 -4.104 1.00 0.00 C ATOM 0 H LEU A 61 12.731 6.690 -7.699 1.00 0.00 H new ATOM 0 HA LEU A 61 10.897 6.207 -5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 61 12.592 8.545 -6.526 1.00 0.00 H new ATOM 0 HB3 LEU A 61 11.423 8.775 -5.240 1.00 0.00 H new ATOM 0 HG LEU A 61 13.983 7.275 -5.254 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.046 8.097 -2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.734 9.411 -4.082 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.398 8.741 -3.116 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.300 5.817 -3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.616 6.356 -3.593 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.420 5.437 -4.888 1.00 0.00 H new ATOM 966 N PRO A 62 9.750 8.494 -7.838 1.00 0.00 N ATOM 967 CA PRO A 62 8.507 9.158 -8.257 1.00 0.00 C ATOM 968 C PRO A 62 7.380 8.172 -8.561 1.00 0.00 C ATOM 969 O PRO A 62 6.214 8.442 -8.267 1.00 0.00 O ATOM 970 CB PRO A 62 8.898 9.931 -9.524 1.00 0.00 C ATOM 971 CG PRO A 62 10.211 9.369 -9.943 1.00 0.00 C ATOM 972 CD PRO A 62 10.879 8.907 -8.685 1.00 0.00 C ATOM 0 HA PRO A 62 8.118 9.795 -7.463 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.150 9.806 -10.307 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.974 11.000 -9.324 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.077 8.542 -10.641 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.814 10.121 -10.452 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.565 8.081 -8.873 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.460 9.704 -8.221 1.00 0.00 H new ATOM 980 N ASP A 63 7.733 7.024 -9.128 1.00 0.00 N ATOM 981 CA ASP A 63 6.739 6.022 -9.496 1.00 0.00 C ATOM 982 C ASP A 63 6.271 5.249 -8.270 1.00 0.00 C ATOM 983 O ASP A 63 5.078 5.001 -8.098 1.00 0.00 O ATOM 984 CB ASP A 63 7.309 5.056 -10.533 1.00 0.00 C ATOM 985 CG ASP A 63 6.226 4.364 -11.336 1.00 0.00 C ATOM 986 OD1 ASP A 63 5.173 4.983 -11.588 1.00 0.00 O ATOM 987 OD2 ASP A 63 6.425 3.196 -11.728 1.00 0.00 O ATOM 0 H ASP A 63 8.696 6.764 -9.342 1.00 0.00 H new ATOM 0 HA ASP A 63 5.884 6.540 -9.929 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.967 5.601 -11.210 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.919 4.306 -10.030 1.00 0.00 H new ATOM 992 N ALA A 64 7.214 4.881 -7.412 1.00 0.00 N ATOM 993 CA ALA A 64 6.894 4.151 -6.193 1.00 0.00 C ATOM 994 C ALA A 64 6.149 5.046 -5.203 1.00 0.00 C ATOM 995 O ALA A 64 5.276 4.586 -4.465 1.00 0.00 O ATOM 996 CB ALA A 64 8.163 3.592 -5.567 1.00 0.00 C ATOM 0 H ALA A 64 8.207 5.076 -7.538 1.00 0.00 H new ATOM 0 HA ALA A 64 6.239 3.319 -6.450 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.911 3.048 -4.656 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.648 2.916 -6.271 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.840 4.411 -5.325 1.00 0.00 H new ATOM 1002 N ASP A 65 6.493 6.330 -5.201 1.00 0.00 N ATOM 1003 CA ASP A 65 5.815 7.313 -4.358 1.00 0.00 C ATOM 1004 C ASP A 65 4.341 7.400 -4.740 1.00 0.00 C ATOM 1005 O ASP A 65 3.463 7.526 -3.883 1.00 0.00 O ATOM 1006 CB ASP A 65 6.482 8.688 -4.503 1.00 0.00 C ATOM 1007 CG ASP A 65 5.648 9.813 -3.924 1.00 0.00 C ATOM 1008 OD1 ASP A 65 5.638 9.973 -2.689 1.00 0.00 O ATOM 1009 OD2 ASP A 65 5.012 10.552 -4.707 1.00 0.00 O ATOM 0 H ASP A 65 7.241 6.717 -5.776 1.00 0.00 H new ATOM 0 HA ASP A 65 5.892 6.997 -3.318 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.452 8.669 -4.007 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.668 8.886 -5.559 1.00 0.00 H new ATOM 1014 N ARG A 66 4.089 7.309 -6.042 1.00 0.00 N ATOM 1015 CA ARG A 66 2.732 7.292 -6.572 1.00 0.00 C ATOM 1016 C ARG A 66 1.961 6.103 -6.016 1.00 0.00 C ATOM 1017 O ARG A 66 0.824 6.241 -5.565 1.00 0.00 O ATOM 1018 CB ARG A 66 2.773 7.217 -8.099 1.00 0.00 C ATOM 1019 CG ARG A 66 1.743 8.091 -8.789 1.00 0.00 C ATOM 1020 CD ARG A 66 2.316 8.753 -10.032 1.00 0.00 C ATOM 1021 NE ARG A 66 3.159 7.845 -10.813 1.00 0.00 N ATOM 1022 CZ ARG A 66 3.684 8.153 -11.999 1.00 0.00 C ATOM 1023 NH1 ARG A 66 3.376 9.301 -12.591 1.00 0.00 N ATOM 1024 NH2 ARG A 66 4.491 7.294 -12.607 1.00 0.00 N ATOM 0 H ARG A 66 4.816 7.245 -6.755 1.00 0.00 H new ATOM 0 HA ARG A 66 2.226 8.209 -6.270 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.767 7.507 -8.440 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.620 6.182 -8.406 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.878 7.488 -9.063 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.392 8.856 -8.097 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.499 9.113 -10.657 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.901 9.625 -9.739 1.00 0.00 H new ATOM 0 HE ARG A 66 3.356 6.922 -10.426 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.735 9.952 -12.138 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.781 9.532 -13.498 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.709 6.400 -12.167 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.894 7.527 -13.515 1.00 0.00 H new ATOM 1038 N GLU A 67 2.605 4.942 -6.032 1.00 0.00 N ATOM 1039 CA GLU A 67 2.003 3.714 -5.533 1.00 0.00 C ATOM 1040 C GLU A 67 1.675 3.824 -4.049 1.00 0.00 C ATOM 1041 O GLU A 67 0.638 3.345 -3.604 1.00 0.00 O ATOM 1042 CB GLU A 67 2.942 2.529 -5.765 1.00 0.00 C ATOM 1043 CG GLU A 67 2.781 1.885 -7.134 1.00 0.00 C ATOM 1044 CD GLU A 67 1.330 1.631 -7.493 1.00 0.00 C ATOM 1045 OE1 GLU A 67 0.730 0.688 -6.940 1.00 0.00 O ATOM 1046 OE2 GLU A 67 0.785 2.373 -8.340 1.00 0.00 O ATOM 0 H GLU A 67 3.553 4.826 -6.389 1.00 0.00 H new ATOM 0 HA GLU A 67 1.075 3.553 -6.081 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.973 2.864 -5.649 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.763 1.778 -4.996 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.231 2.529 -7.889 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.327 0.942 -7.154 1.00 0.00 H new ATOM 1053 N ARG A 68 2.557 4.466 -3.289 1.00 0.00 N ATOM 1054 CA ARG A 68 2.357 4.629 -1.858 1.00 0.00 C ATOM 1055 C ARG A 68 1.066 5.399 -1.576 1.00 0.00 C ATOM 1056 O ARG A 68 0.300 5.036 -0.683 1.00 0.00 O ATOM 1057 CB ARG A 68 3.582 5.324 -1.259 1.00 0.00 C ATOM 1058 CG ARG A 68 3.285 6.305 -0.143 1.00 0.00 C ATOM 1059 CD ARG A 68 4.485 7.199 0.105 1.00 0.00 C ATOM 1060 NE ARG A 68 4.395 8.461 -0.629 1.00 0.00 N ATOM 1061 CZ ARG A 68 3.478 9.401 -0.414 1.00 0.00 C ATOM 1062 NH1 ARG A 68 2.619 9.291 0.594 1.00 0.00 N ATOM 1063 NH2 ARG A 68 3.456 10.476 -1.188 1.00 0.00 N ATOM 0 H ARG A 68 3.418 4.882 -3.644 1.00 0.00 H new ATOM 0 HA ARG A 68 2.249 3.652 -1.386 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.263 4.562 -0.880 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.106 5.852 -2.056 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.418 6.912 -0.404 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.032 5.764 0.768 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.567 7.406 1.172 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.394 6.674 -0.189 1.00 0.00 H new ATOM 0 HE ARG A 68 5.086 8.633 -1.359 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.659 8.480 1.212 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.920 10.017 0.750 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.138 10.577 -1.940 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.757 11.203 -1.032 1.00 0.00 H new ATOM 1077 N GLU A 69 0.808 6.436 -2.362 1.00 0.00 N ATOM 1078 CA GLU A 69 -0.417 7.204 -2.214 1.00 0.00 C ATOM 1079 C GLU A 69 -1.604 6.426 -2.775 1.00 0.00 C ATOM 1080 O GLU A 69 -2.694 6.453 -2.211 1.00 0.00 O ATOM 1081 CB GLU A 69 -0.298 8.555 -2.917 1.00 0.00 C ATOM 1082 CG GLU A 69 0.364 9.629 -2.070 1.00 0.00 C ATOM 1083 CD GLU A 69 -0.473 10.051 -0.878 1.00 0.00 C ATOM 1084 OE1 GLU A 69 -1.710 10.167 -1.018 1.00 0.00 O ATOM 1085 OE2 GLU A 69 0.102 10.279 0.207 1.00 0.00 O ATOM 0 H GLU A 69 1.428 6.762 -3.104 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.580 7.380 -1.151 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.273 8.427 -3.837 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.293 8.894 -3.204 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.328 9.262 -1.717 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.564 10.501 -2.692 1.00 0.00 H new ATOM 1092 N ALA A 70 -1.372 5.712 -3.874 1.00 0.00 N ATOM 1093 CA ALA A 70 -2.421 4.933 -4.532 1.00 0.00 C ATOM 1094 C ALA A 70 -2.862 3.749 -3.680 1.00 0.00 C ATOM 1095 O ALA A 70 -3.966 3.230 -3.841 1.00 0.00 O ATOM 1096 CB ALA A 70 -1.943 4.454 -5.895 1.00 0.00 C ATOM 0 H ALA A 70 -0.462 5.656 -4.331 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.285 5.584 -4.664 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.732 3.875 -6.375 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.695 5.314 -6.517 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.059 3.829 -5.771 1.00 0.00 H new ATOM 1102 N ILE A 71 -2.005 3.342 -2.760 1.00 0.00 N ATOM 1103 CA ILE A 71 -2.294 2.228 -1.877 1.00 0.00 C ATOM 1104 C ILE A 71 -3.080 2.756 -0.691 1.00 0.00 C ATOM 1105 O ILE A 71 -4.029 2.129 -0.214 1.00 0.00 O ATOM 1106 CB ILE A 71 -0.995 1.518 -1.417 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -0.775 0.258 -2.250 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -1.023 1.163 0.063 1.00 0.00 C ATOM 1109 CD1 ILE A 71 0.637 0.125 -2.762 1.00 0.00 C ATOM 0 H ILE A 71 -1.093 3.773 -2.605 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.883 1.482 -2.410 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.170 2.214 -1.567 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.020 -0.616 -1.647 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.462 0.264 -3.096 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.091 0.668 0.336 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.137 2.072 0.653 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.861 0.494 0.261 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.727 -0.791 -3.346 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.878 0.982 -3.391 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.328 0.088 -1.919 1.00 0.00 H new ATOM 1121 N LEU A 72 -2.696 3.945 -0.251 1.00 0.00 N ATOM 1122 CA LEU A 72 -3.428 4.649 0.777 1.00 0.00 C ATOM 1123 C LEU A 72 -4.801 5.024 0.246 1.00 0.00 C ATOM 1124 O LEU A 72 -5.783 5.078 0.990 1.00 0.00 O ATOM 1125 CB LEU A 72 -2.666 5.902 1.187 1.00 0.00 C ATOM 1126 CG LEU A 72 -2.164 5.904 2.623 1.00 0.00 C ATOM 1127 CD1 LEU A 72 -0.843 6.648 2.711 1.00 0.00 C ATOM 1128 CD2 LEU A 72 -3.210 6.521 3.534 1.00 0.00 C ATOM 0 H LEU A 72 -1.874 4.441 -0.597 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.542 4.007 1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.814 6.026 0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.313 6.767 1.042 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.993 4.879 2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.491 6.644 3.743 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.106 6.158 2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.982 7.677 2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.845 6.519 4.561 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.407 7.546 3.220 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.131 5.941 3.476 1.00 0.00 H new ATOM 1140 N ALA A 73 -4.854 5.263 -1.058 1.00 0.00 N ATOM 1141 CA ALA A 73 -6.107 5.580 -1.734 1.00 0.00 C ATOM 1142 C ALA A 73 -7.083 4.415 -1.618 1.00 0.00 C ATOM 1143 O ALA A 73 -8.270 4.610 -1.352 1.00 0.00 O ATOM 1144 CB ALA A 73 -5.860 5.927 -3.193 1.00 0.00 C ATOM 0 H ALA A 73 -4.040 5.243 -1.672 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.548 6.451 -1.248 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.808 6.160 -3.677 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.199 6.792 -3.255 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.395 5.079 -3.695 1.00 0.00 H new ATOM 1150 N ILE A 74 -6.570 3.206 -1.800 1.00 0.00 N ATOM 1151 CA ILE A 74 -7.374 1.998 -1.657 1.00 0.00 C ATOM 1152 C ILE A 74 -7.899 1.869 -0.230 1.00 0.00 C ATOM 1153 O ILE A 74 -9.075 1.570 -0.006 1.00 0.00 O ATOM 1154 CB ILE A 74 -6.559 0.734 -2.014 1.00 0.00 C ATOM 1155 CG1 ILE A 74 -6.086 0.790 -3.467 1.00 0.00 C ATOM 1156 CG2 ILE A 74 -7.384 -0.522 -1.772 1.00 0.00 C ATOM 1157 CD1 ILE A 74 -4.805 0.025 -3.715 1.00 0.00 C ATOM 0 H ILE A 74 -5.596 3.034 -2.048 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.212 2.082 -2.349 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.682 0.700 -1.367 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.869 0.390 -4.111 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.939 1.831 -3.753 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.793 -1.401 -2.029 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.671 -0.572 -0.722 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.280 -0.494 -2.392 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.529 0.108 -4.766 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.008 0.439 -3.097 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.953 -1.025 -3.461 1.00 0.00 H new ATOM 1169 N HIS A 75 -7.027 2.124 0.737 1.00 0.00 N ATOM 1170 CA HIS A 75 -7.395 1.997 2.140 1.00 0.00 C ATOM 1171 C HIS A 75 -8.363 3.097 2.549 1.00 0.00 C ATOM 1172 O HIS A 75 -9.001 3.000 3.577 1.00 0.00 O ATOM 1173 CB HIS A 75 -6.129 1.970 3.032 1.00 0.00 C ATOM 1174 CG HIS A 75 -6.090 2.975 4.155 1.00 0.00 C ATOM 1175 ND1 HIS A 75 -6.121 2.632 5.490 1.00 0.00 N ATOM 1176 CD2 HIS A 75 -6.011 4.320 4.123 1.00 0.00 C ATOM 1177 CE1 HIS A 75 -6.059 3.733 6.223 1.00 0.00 C ATOM 1178 NE2 HIS A 75 -5.992 4.769 5.417 1.00 0.00 N ATOM 0 H HIS A 75 -6.064 2.419 0.576 1.00 0.00 H new ATOM 0 HA HIS A 75 -7.914 1.049 2.282 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -6.032 0.972 3.460 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -5.258 2.131 2.397 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -5.970 4.934 3.236 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -6.063 3.773 7.302 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -5.935 5.745 5.707 1.00 0.00 H new ATOM 1187 N LYS A 76 -8.481 4.133 1.736 1.00 0.00 N ATOM 1188 CA LYS A 76 -9.400 5.222 2.039 1.00 0.00 C ATOM 1189 C LYS A 76 -10.828 4.705 2.048 1.00 0.00 C ATOM 1190 O LYS A 76 -11.612 5.026 2.942 1.00 0.00 O ATOM 1191 CB LYS A 76 -9.255 6.365 1.032 1.00 0.00 C ATOM 1192 CG LYS A 76 -8.965 7.708 1.681 1.00 0.00 C ATOM 1193 CD LYS A 76 -7.471 7.939 1.837 1.00 0.00 C ATOM 1194 CE LYS A 76 -6.938 8.866 0.759 1.00 0.00 C ATOM 1195 NZ LYS A 76 -5.927 9.816 1.292 1.00 0.00 N ATOM 0 H LYS A 76 -7.958 4.245 0.868 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.154 5.613 3.026 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.452 6.126 0.335 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.172 6.443 0.447 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.397 8.506 1.077 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.445 7.752 2.658 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -7.268 8.366 2.819 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -6.947 6.984 1.790 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -6.493 8.274 -0.041 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.765 9.425 0.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -5.589 10.430 0.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -6.358 10.399 2.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -5.126 9.284 1.688 1.00 0.00 H new ATOM 1209 N GLU A 77 -11.147 3.875 1.069 1.00 0.00 N ATOM 1210 CA GLU A 77 -12.451 3.242 1.006 1.00 0.00 C ATOM 1211 C GLU A 77 -12.487 2.054 1.957 1.00 0.00 C ATOM 1212 O GLU A 77 -13.500 1.786 2.601 1.00 0.00 O ATOM 1213 CB GLU A 77 -12.755 2.788 -0.425 1.00 0.00 C ATOM 1214 CG GLU A 77 -14.183 2.303 -0.624 1.00 0.00 C ATOM 1215 CD GLU A 77 -15.191 3.435 -0.680 1.00 0.00 C ATOM 1216 OE1 GLU A 77 -14.916 4.518 -0.122 1.00 0.00 O ATOM 1217 OE2 GLU A 77 -16.271 3.240 -1.271 1.00 0.00 O ATOM 0 H GLU A 77 -10.518 3.624 0.306 1.00 0.00 H new ATOM 0 HA GLU A 77 -13.212 3.963 1.305 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.564 3.616 -1.107 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.068 1.987 -0.696 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.240 1.727 -1.548 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.448 1.628 0.189 1.00 0.00 H new ATOM 1224 N ALA A 78 -11.351 1.377 2.076 1.00 0.00 N ATOM 1225 CA ALA A 78 -11.258 0.172 2.887 1.00 0.00 C ATOM 1226 C ALA A 78 -11.062 0.495 4.367 1.00 0.00 C ATOM 1227 O ALA A 78 -10.853 -0.403 5.180 1.00 0.00 O ATOM 1228 CB ALA A 78 -10.127 -0.712 2.382 1.00 0.00 C ATOM 0 H ALA A 78 -10.479 1.644 1.619 1.00 0.00 H new ATOM 0 HA ALA A 78 -12.202 -0.364 2.794 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.066 -1.611 2.996 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -10.319 -0.992 1.346 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.185 -0.167 2.442 1.00 0.00 H new ATOM 1234 N GLN A 79 -11.094 1.772 4.710 1.00 0.00 N ATOM 1235 CA GLN A 79 -11.001 2.177 6.105 1.00 0.00 C ATOM 1236 C GLN A 79 -12.199 3.010 6.515 1.00 0.00 C ATOM 1237 O GLN A 79 -12.561 3.048 7.688 1.00 0.00 O ATOM 1238 CB GLN A 79 -9.716 2.970 6.367 1.00 0.00 C ATOM 1239 CG GLN A 79 -9.268 2.916 7.816 1.00 0.00 C ATOM 1240 CD GLN A 79 -8.247 1.827 8.075 1.00 0.00 C ATOM 1241 OE1 GLN A 79 -7.169 2.080 8.612 1.00 0.00 O ATOM 1242 NE2 GLN A 79 -8.568 0.607 7.692 1.00 0.00 N ATOM 0 H GLN A 79 -11.183 2.542 4.048 1.00 0.00 H new ATOM 0 HA GLN A 79 -10.983 1.265 6.702 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.920 2.581 5.732 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.873 4.010 6.080 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.843 3.880 8.096 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.136 2.753 8.454 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.470 0.432 7.250 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.914 -0.162 7.838 1.00 0.00 H new ATOM 1251 N ARG A 80 -12.829 3.647 5.545 1.00 0.00 N ATOM 1252 CA ARG A 80 -13.933 4.559 5.819 1.00 0.00 C ATOM 1253 C ARG A 80 -15.090 3.841 6.505 1.00 0.00 C ATOM 1254 O ARG A 80 -15.801 4.437 7.304 1.00 0.00 O ATOM 1255 CB ARG A 80 -14.410 5.245 4.531 1.00 0.00 C ATOM 1256 CG ARG A 80 -15.219 4.346 3.605 1.00 0.00 C ATOM 1257 CD ARG A 80 -16.468 5.047 3.101 1.00 0.00 C ATOM 1258 NE ARG A 80 -16.886 4.543 1.795 1.00 0.00 N ATOM 1259 CZ ARG A 80 -18.150 4.299 1.457 1.00 0.00 C ATOM 1260 NH1 ARG A 80 -19.136 4.564 2.309 1.00 0.00 N ATOM 1261 NH2 ARG A 80 -18.426 3.797 0.255 1.00 0.00 N ATOM 0 H ARG A 80 -12.597 3.552 4.556 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.564 5.326 6.500 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -15.015 6.111 4.797 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.541 5.618 3.989 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.602 4.045 2.758 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -15.500 3.435 4.134 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -17.276 4.909 3.819 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -16.281 6.119 3.034 1.00 0.00 H new ATOM 0 HE ARG A 80 -16.163 4.367 1.098 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -18.925 4.956 3.227 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -20.103 4.375 2.045 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -17.670 3.601 -0.402 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -19.393 3.608 -0.009 1.00 0.00 H new ATOM 1275 N ILE A 81 -15.253 2.556 6.205 1.00 0.00 N ATOM 1276 CA ILE A 81 -16.313 1.755 6.808 1.00 0.00 C ATOM 1277 C ILE A 81 -16.015 1.481 8.281 1.00 0.00 C ATOM 1278 O ILE A 81 -16.918 1.279 9.090 1.00 0.00 O ATOM 1279 CB ILE A 81 -16.501 0.420 6.064 1.00 0.00 C ATOM 1280 CG1 ILE A 81 -15.178 -0.344 5.974 1.00 0.00 C ATOM 1281 CG2 ILE A 81 -17.066 0.659 4.672 1.00 0.00 C ATOM 1282 CD1 ILE A 81 -15.079 -1.490 6.955 1.00 0.00 C ATOM 0 H ILE A 81 -14.663 2.046 5.547 1.00 0.00 H new ATOM 0 HA ILE A 81 -17.236 2.329 6.730 1.00 0.00 H new ATOM 0 HB ILE A 81 -17.210 -0.185 6.629 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -15.058 -0.730 4.962 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -14.355 0.348 6.151 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -17.192 -0.296 4.162 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -18.032 1.158 4.752 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -16.380 1.287 4.104 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -14.117 -1.988 6.837 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -15.167 -1.107 7.972 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -15.882 -2.202 6.765 1.00 0.00 H new ATOM 1294 N ALA A 82 -14.739 1.473 8.622 1.00 0.00 N ATOM 1295 CA ALA A 82 -14.318 1.290 9.998 1.00 0.00 C ATOM 1296 C ALA A 82 -14.473 2.595 10.753 1.00 0.00 C ATOM 1297 O ALA A 82 -14.739 2.609 11.954 1.00 0.00 O ATOM 1298 CB ALA A 82 -12.874 0.820 10.052 1.00 0.00 C ATOM 0 H ALA A 82 -13.972 1.592 7.960 1.00 0.00 H new ATOM 0 HA ALA A 82 -14.944 0.529 10.464 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -12.573 0.687 11.091 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.780 -0.128 9.523 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -12.231 1.564 9.580 1.00 0.00 H new ATOM 1304 N GLU A 83 -14.317 3.689 10.023 1.00 0.00 N ATOM 1305 CA GLU A 83 -14.386 5.019 10.598 1.00 0.00 C ATOM 1306 C GLU A 83 -15.835 5.471 10.786 1.00 0.00 C ATOM 1307 O GLU A 83 -16.113 6.358 11.597 1.00 0.00 O ATOM 1308 CB GLU A 83 -13.609 5.995 9.715 1.00 0.00 C ATOM 1309 CG GLU A 83 -12.170 5.550 9.478 1.00 0.00 C ATOM 1310 CD GLU A 83 -11.476 6.324 8.378 1.00 0.00 C ATOM 1311 OE1 GLU A 83 -12.154 6.768 7.429 1.00 0.00 O ATOM 1312 OE2 GLU A 83 -10.240 6.485 8.458 1.00 0.00 O ATOM 0 H GLU A 83 -14.140 3.678 9.019 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.931 4.999 11.588 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -14.117 6.096 8.756 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -13.609 6.980 10.181 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.605 5.663 10.404 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.162 4.489 9.227 1.00 0.00 H new ATOM 1319 N SER A 84 -16.758 4.866 10.040 1.00 0.00 N ATOM 1320 CA SER A 84 -18.178 5.125 10.240 1.00 0.00 C ATOM 1321 C SER A 84 -18.678 4.369 11.464 1.00 0.00 C ATOM 1322 O SER A 84 -19.682 4.734 12.076 1.00 0.00 O ATOM 1323 CB SER A 84 -18.983 4.710 9.009 1.00 0.00 C ATOM 1324 OG SER A 84 -18.241 3.818 8.196 1.00 0.00 O ATOM 0 H SER A 84 -16.548 4.199 9.298 1.00 0.00 H new ATOM 0 HA SER A 84 -18.313 6.195 10.397 1.00 0.00 H new ATOM 0 HB2 SER A 84 -19.913 4.235 9.321 1.00 0.00 H new ATOM 0 HB3 SER A 84 -19.254 5.594 8.432 1.00 0.00 H new ATOM 0 HG SER A 84 -17.546 4.315 7.715 1.00 0.00 H new ATOM 1330 N ASN A 85 -17.961 3.314 11.818 1.00 0.00 N ATOM 1331 CA ASN A 85 -18.280 2.531 12.994 1.00 0.00 C ATOM 1332 C ASN A 85 -17.268 2.855 14.087 1.00 0.00 C ATOM 1333 O ASN A 85 -16.769 3.978 14.163 1.00 0.00 O ATOM 1334 CB ASN A 85 -18.254 1.035 12.656 1.00 0.00 C ATOM 1335 CG ASN A 85 -19.410 0.615 11.764 1.00 0.00 C ATOM 1336 OD1 ASN A 85 -20.554 0.519 12.211 1.00 0.00 O ATOM 1337 ND2 ASN A 85 -19.122 0.369 10.493 1.00 0.00 N ATOM 0 H ASN A 85 -17.148 2.981 11.300 1.00 0.00 H new ATOM 0 HA ASN A 85 -19.282 2.778 13.345 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -17.313 0.795 12.161 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -18.285 0.457 13.580 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -19.861 0.089 9.848 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -18.162 0.460 10.161 1.00 0.00 H new ATOM 1344 N HIS A 86 -16.963 1.882 14.929 1.00 0.00 N ATOM 1345 CA HIS A 86 -15.925 2.051 15.936 1.00 0.00 C ATOM 1346 C HIS A 86 -15.094 0.785 16.035 1.00 0.00 C ATOM 1347 O HIS A 86 -14.685 0.371 17.118 1.00 0.00 O ATOM 1348 CB HIS A 86 -16.538 2.395 17.295 1.00 0.00 C ATOM 1349 CG HIS A 86 -16.528 3.860 17.604 1.00 0.00 C ATOM 1350 ND1 HIS A 86 -17.433 4.451 18.455 1.00 0.00 N ATOM 1351 CD2 HIS A 86 -15.723 4.859 17.162 1.00 0.00 C ATOM 1352 CE1 HIS A 86 -17.190 5.745 18.523 1.00 0.00 C ATOM 1353 NE2 HIS A 86 -16.157 6.019 17.749 1.00 0.00 N ATOM 0 H HIS A 86 -17.417 0.969 14.937 1.00 0.00 H new ATOM 0 HA HIS A 86 -15.280 2.878 15.638 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -17.566 2.034 17.322 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -15.992 1.864 18.075 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -14.895 4.759 16.476 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -17.743 6.461 19.113 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -15.748 6.943 17.610 1.00 0.00 H new ATOM 1362 N ILE A 87 -14.844 0.175 14.887 1.00 0.00 N ATOM 1363 CA ILE A 87 -14.116 -1.081 14.833 1.00 0.00 C ATOM 1364 C ILE A 87 -12.621 -0.830 14.693 1.00 0.00 C ATOM 1365 O ILE A 87 -12.176 0.318 14.636 1.00 0.00 O ATOM 1366 CB ILE A 87 -14.612 -1.981 13.676 1.00 0.00 C ATOM 1367 CG1 ILE A 87 -14.057 -1.514 12.330 1.00 0.00 C ATOM 1368 CG2 ILE A 87 -16.126 -1.997 13.638 1.00 0.00 C ATOM 1369 CD1 ILE A 87 -14.005 -2.608 11.287 1.00 0.00 C ATOM 0 H ILE A 87 -15.136 0.532 13.977 1.00 0.00 H new ATOM 0 HA ILE A 87 -14.303 -1.604 15.771 1.00 0.00 H new ATOM 0 HB ILE A 87 -14.247 -2.992 13.858 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -14.672 -0.696 11.956 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -13.053 -1.116 12.478 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -16.463 -2.634 12.820 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -16.510 -2.385 14.581 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -16.497 -0.983 13.485 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -13.601 -2.206 10.358 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -13.366 -3.417 11.640 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -15.010 -2.990 11.110 1.00 0.00 H new ATOM 1381 N LYS A 88 -11.860 -1.906 14.628 1.00 0.00 N ATOM 1382 CA LYS A 88 -10.413 -1.814 14.534 1.00 0.00 C ATOM 1383 C LYS A 88 -9.896 -2.642 13.368 1.00 0.00 C ATOM 1384 O LYS A 88 -9.535 -3.809 13.529 1.00 0.00 O ATOM 1385 CB LYS A 88 -9.763 -2.280 15.837 1.00 0.00 C ATOM 1386 CG LYS A 88 -9.501 -1.154 16.824 1.00 0.00 C ATOM 1387 CD LYS A 88 -9.185 -1.692 18.209 1.00 0.00 C ATOM 1388 CE LYS A 88 -10.167 -1.172 19.244 1.00 0.00 C ATOM 1389 NZ LYS A 88 -10.207 -2.034 20.455 1.00 0.00 N ATOM 0 H LYS A 88 -12.221 -2.860 14.639 1.00 0.00 H new ATOM 0 HA LYS A 88 -10.149 -0.770 14.362 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -10.406 -3.023 16.309 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -8.820 -2.776 15.606 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -8.669 -0.545 16.470 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -10.374 -0.503 16.875 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -9.214 -2.781 18.193 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -8.172 -1.404 18.490 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -9.889 -0.157 19.530 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -11.163 -1.118 18.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.889 -1.644 21.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -10.497 -2.996 20.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -9.263 -2.065 20.890 1.00 0.00 H new ATOM 1403 N LEU A 89 -9.880 -2.042 12.188 1.00 0.00 N ATOM 1404 CA LEU A 89 -9.351 -2.703 11.002 1.00 0.00 C ATOM 1405 C LEU A 89 -7.828 -2.686 11.015 1.00 0.00 C ATOM 1406 O LEU A 89 -7.184 -3.410 10.255 1.00 0.00 O ATOM 1407 CB LEU A 89 -9.869 -2.030 9.733 1.00 0.00 C ATOM 1408 CG LEU A 89 -11.137 -2.650 9.148 1.00 0.00 C ATOM 1409 CD1 LEU A 89 -11.585 -1.890 7.912 1.00 0.00 C ATOM 1410 CD2 LEU A 89 -10.916 -4.117 8.813 1.00 0.00 C ATOM 0 H LEU A 89 -10.227 -1.097 12.024 1.00 0.00 H new ATOM 0 HA LEU A 89 -9.691 -3.738 11.012 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.062 -0.979 9.949 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.085 -2.061 8.977 1.00 0.00 H new ATOM 0 HG LEU A 89 -11.923 -2.583 9.900 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.489 -2.348 7.511 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.790 -0.853 8.177 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.797 -1.923 7.159 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.832 -4.537 8.398 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.112 -4.206 8.082 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.645 -4.660 9.718 1.00 0.00 H new ATOM 1422 N SER A 90 -7.262 -1.853 11.879 1.00 0.00 N ATOM 1423 CA SER A 90 -5.821 -1.781 12.047 1.00 0.00 C ATOM 1424 C SER A 90 -5.290 -3.088 12.632 1.00 0.00 C ATOM 1425 O SER A 90 -5.417 -3.339 13.834 1.00 0.00 O ATOM 1426 CB SER A 90 -5.468 -0.601 12.953 1.00 0.00 C ATOM 1427 OG SER A 90 -6.610 0.214 13.181 1.00 0.00 O ATOM 0 H SER A 90 -7.786 -1.214 12.477 1.00 0.00 H new ATOM 0 HA SER A 90 -5.353 -1.630 11.074 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.081 -0.968 13.904 1.00 0.00 H new ATOM 0 HB3 SER A 90 -4.677 -0.008 12.495 1.00 0.00 H new ATOM 0 HG SER A 90 -7.130 -0.153 13.926 1.00 0.00 H new ATOM 1433 N GLY A 91 -4.715 -3.918 11.772 1.00 0.00 N ATOM 1434 CA GLY A 91 -4.233 -5.218 12.192 1.00 0.00 C ATOM 1435 C GLY A 91 -5.180 -6.327 11.778 1.00 0.00 C ATOM 1436 O GLY A 91 -4.891 -7.508 11.967 1.00 0.00 O ATOM 0 H GLY A 91 -4.573 -3.711 10.783 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.249 -5.399 11.759 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.111 -5.229 13.275 1.00 0.00 H new ATOM 1440 N SER A 92 -6.307 -5.943 11.197 1.00 0.00 N ATOM 1441 CA SER A 92 -7.338 -6.897 10.816 1.00 0.00 C ATOM 1442 C SER A 92 -7.496 -6.961 9.300 1.00 0.00 C ATOM 1443 O SER A 92 -8.586 -7.209 8.782 1.00 0.00 O ATOM 1444 CB SER A 92 -8.665 -6.511 11.476 1.00 0.00 C ATOM 1445 OG SER A 92 -8.491 -6.264 12.864 1.00 0.00 O ATOM 0 H SER A 92 -6.531 -4.972 10.978 1.00 0.00 H new ATOM 0 HA SER A 92 -7.039 -7.887 11.160 1.00 0.00 H new ATOM 0 HB2 SER A 92 -9.070 -5.622 10.993 1.00 0.00 H new ATOM 0 HB3 SER A 92 -9.392 -7.311 11.334 1.00 0.00 H new ATOM 0 HG SER A 92 -8.821 -5.367 13.081 1.00 0.00 H new ATOM 1451 N ASN A 93 -6.402 -6.726 8.590 1.00 0.00 N ATOM 1452 CA ASN A 93 -6.403 -6.842 7.141 1.00 0.00 C ATOM 1453 C ASN A 93 -6.250 -8.306 6.741 1.00 0.00 C ATOM 1454 O ASN A 93 -5.292 -8.970 7.142 1.00 0.00 O ATOM 1455 CB ASN A 93 -5.284 -6.005 6.527 1.00 0.00 C ATOM 1456 CG ASN A 93 -5.796 -4.753 5.836 1.00 0.00 C ATOM 1457 OD1 ASN A 93 -6.987 -4.621 5.548 1.00 0.00 O ATOM 1458 ND2 ASN A 93 -4.892 -3.827 5.553 1.00 0.00 N ATOM 0 H ASN A 93 -5.505 -6.455 8.993 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.353 -6.464 6.763 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -4.579 -5.721 7.308 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -4.735 -6.613 5.808 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.173 -2.968 5.080 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.915 -3.973 5.808 1.00 0.00 H new ATOM 1465 N PRO A 94 -7.187 -8.823 5.942 1.00 0.00 N ATOM 1466 CA PRO A 94 -7.287 -10.257 5.655 1.00 0.00 C ATOM 1467 C PRO A 94 -6.327 -10.742 4.572 1.00 0.00 C ATOM 1468 O PRO A 94 -5.903 -11.898 4.582 1.00 0.00 O ATOM 1469 CB PRO A 94 -8.729 -10.392 5.183 1.00 0.00 C ATOM 1470 CG PRO A 94 -9.007 -9.098 4.496 1.00 0.00 C ATOM 1471 CD PRO A 94 -8.234 -8.050 5.252 1.00 0.00 C ATOM 0 HA PRO A 94 -7.024 -10.860 6.524 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.850 -11.237 4.506 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -9.409 -10.554 6.019 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -8.695 -9.136 3.452 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -10.074 -8.875 4.501 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.806 -7.305 4.581 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -8.869 -7.515 5.958 1.00 0.00 H new ATOM 1479 N TYR A 95 -5.983 -9.863 3.638 1.00 0.00 N ATOM 1480 CA TYR A 95 -5.187 -10.271 2.489 1.00 0.00 C ATOM 1481 C TYR A 95 -3.772 -9.714 2.600 1.00 0.00 C ATOM 1482 O TYR A 95 -2.796 -10.432 2.411 1.00 0.00 O ATOM 1483 CB TYR A 95 -5.839 -9.811 1.175 1.00 0.00 C ATOM 1484 CG TYR A 95 -7.331 -10.096 1.063 1.00 0.00 C ATOM 1485 CD1 TYR A 95 -7.920 -11.166 1.733 1.00 0.00 C ATOM 1486 CD2 TYR A 95 -8.150 -9.287 0.286 1.00 0.00 C ATOM 1487 CE1 TYR A 95 -9.277 -11.413 1.631 1.00 0.00 C ATOM 1488 CE2 TYR A 95 -9.506 -9.529 0.184 1.00 0.00 C ATOM 1489 CZ TYR A 95 -10.066 -10.593 0.856 1.00 0.00 C ATOM 1490 OH TYR A 95 -11.419 -10.828 0.764 1.00 0.00 O ATOM 0 H TYR A 95 -6.239 -8.876 3.653 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.138 -11.360 2.481 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.680 -8.738 1.064 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -5.328 -10.297 0.344 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -7.307 -11.813 2.342 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -7.719 -8.453 -0.248 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -9.717 -12.247 2.158 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -10.126 -8.885 -0.422 1.00 0.00 H new ATOM 0 HH TYR A 95 -11.847 -10.614 1.619 1.00 0.00 H new ATOM 1500 N THR A 96 -3.669 -8.433 2.907 1.00 0.00 N ATOM 1501 CA THR A 96 -2.386 -7.799 3.098 1.00 0.00 C ATOM 1502 C THR A 96 -2.399 -7.060 4.433 1.00 0.00 C ATOM 1503 O THR A 96 -3.104 -6.069 4.602 1.00 0.00 O ATOM 1504 CB THR A 96 -2.069 -6.872 1.906 1.00 0.00 C ATOM 1505 OG1 THR A 96 -1.264 -7.576 0.952 1.00 0.00 O ATOM 1506 CG2 THR A 96 -1.350 -5.616 2.331 1.00 0.00 C ATOM 0 H THR A 96 -4.468 -7.811 3.029 1.00 0.00 H new ATOM 0 HA THR A 96 -1.590 -8.543 3.133 1.00 0.00 H new ATOM 0 HB THR A 96 -3.020 -6.576 1.462 1.00 0.00 H new ATOM 0 HG1 THR A 96 -0.618 -6.958 0.550 1.00 0.00 H new ATOM 0 HG21 THR A 96 -1.150 -4.998 1.456 1.00 0.00 H new ATOM 0 HG22 THR A 96 -1.972 -5.061 3.033 1.00 0.00 H new ATOM 0 HG23 THR A 96 -0.408 -5.881 2.811 1.00 0.00 H new ATOM 1514 N THR A 97 -1.646 -7.594 5.388 1.00 0.00 N ATOM 1515 CA THR A 97 -1.681 -7.131 6.768 1.00 0.00 C ATOM 1516 C THR A 97 -1.241 -5.673 6.919 1.00 0.00 C ATOM 1517 O THR A 97 -1.760 -4.953 7.770 1.00 0.00 O ATOM 1518 CB THR A 97 -0.779 -8.015 7.646 1.00 0.00 C ATOM 1519 OG1 THR A 97 -1.015 -9.404 7.356 1.00 0.00 O ATOM 1520 CG2 THR A 97 -1.026 -7.741 9.118 1.00 0.00 C ATOM 0 H THR A 97 -0.994 -8.361 5.226 1.00 0.00 H new ATOM 0 HA THR A 97 -2.720 -7.200 7.090 1.00 0.00 H new ATOM 0 HB THR A 97 0.260 -7.776 7.421 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.435 -9.959 7.918 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.377 -8.377 9.720 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.811 -6.695 9.334 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.068 -7.954 9.358 1.00 0.00 H new ATOM 1528 N VAL A 98 -0.288 -5.266 6.092 1.00 0.00 N ATOM 1529 CA VAL A 98 0.312 -3.931 6.164 1.00 0.00 C ATOM 1530 C VAL A 98 -0.729 -2.814 6.336 1.00 0.00 C ATOM 1531 O VAL A 98 -1.797 -2.825 5.713 1.00 0.00 O ATOM 1532 CB VAL A 98 1.183 -3.638 4.916 1.00 0.00 C ATOM 1533 CG1 VAL A 98 2.036 -4.840 4.555 1.00 0.00 C ATOM 1534 CG2 VAL A 98 0.329 -3.245 3.725 1.00 0.00 C ATOM 0 H VAL A 98 0.095 -5.850 5.349 1.00 0.00 H new ATOM 0 HA VAL A 98 0.941 -3.937 7.054 1.00 0.00 H new ATOM 0 HB VAL A 98 1.835 -2.802 5.168 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.638 -4.608 3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.693 -5.084 5.390 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.391 -5.692 4.339 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.971 -3.046 2.867 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.357 -4.058 3.485 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.242 -2.348 3.967 1.00 0.00 H new ATOM 1544 N THR A 99 -0.422 -1.874 7.216 1.00 0.00 N ATOM 1545 CA THR A 99 -1.243 -0.691 7.400 1.00 0.00 C ATOM 1546 C THR A 99 -0.690 0.453 6.548 1.00 0.00 C ATOM 1547 O THR A 99 0.425 0.353 6.029 1.00 0.00 O ATOM 1548 CB THR A 99 -1.261 -0.275 8.884 1.00 0.00 C ATOM 1549 OG1 THR A 99 -0.302 -1.046 9.614 1.00 0.00 O ATOM 1550 CG2 THR A 99 -2.638 -0.476 9.488 1.00 0.00 C ATOM 0 H THR A 99 0.400 -1.910 7.819 1.00 0.00 H new ATOM 0 HA THR A 99 -2.263 -0.917 7.089 1.00 0.00 H new ATOM 0 HB THR A 99 -1.007 0.783 8.945 1.00 0.00 H new ATOM 0 HG1 THR A 99 -0.315 -0.777 10.556 1.00 0.00 H new ATOM 0 HG21 THR A 99 -2.623 -0.175 10.536 1.00 0.00 H new ATOM 0 HG22 THR A 99 -3.365 0.130 8.947 1.00 0.00 H new ATOM 0 HG23 THR A 99 -2.917 -1.527 9.417 1.00 0.00 H new ATOM 1558 N PRO A 100 -1.447 1.553 6.385 1.00 0.00 N ATOM 1559 CA PRO A 100 -0.980 2.725 5.629 1.00 0.00 C ATOM 1560 C PRO A 100 0.289 3.311 6.232 1.00 0.00 C ATOM 1561 O PRO A 100 1.152 3.827 5.524 1.00 0.00 O ATOM 1562 CB PRO A 100 -2.139 3.720 5.754 1.00 0.00 C ATOM 1563 CG PRO A 100 -2.918 3.247 6.930 1.00 0.00 C ATOM 1564 CD PRO A 100 -2.807 1.754 6.902 1.00 0.00 C ATOM 0 HA PRO A 100 -0.730 2.478 4.597 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.774 4.736 5.904 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.751 3.731 4.852 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.516 3.654 7.858 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.959 3.565 6.867 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.934 1.318 7.893 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -3.559 1.302 6.255 1.00 0.00 H new ATOM 1572 N GLN A 101 0.404 3.195 7.550 1.00 0.00 N ATOM 1573 CA GLN A 101 1.549 3.726 8.270 1.00 0.00 C ATOM 1574 C GLN A 101 2.759 2.838 8.038 1.00 0.00 C ATOM 1575 O GLN A 101 3.890 3.313 7.998 1.00 0.00 O ATOM 1576 CB GLN A 101 1.241 3.823 9.766 1.00 0.00 C ATOM 1577 CG GLN A 101 0.892 5.229 10.228 1.00 0.00 C ATOM 1578 CD GLN A 101 2.114 6.118 10.352 1.00 0.00 C ATOM 1579 OE1 GLN A 101 2.440 6.882 9.441 1.00 0.00 O ATOM 1580 NE2 GLN A 101 2.794 6.038 11.484 1.00 0.00 N ATOM 0 H GLN A 101 -0.287 2.735 8.142 1.00 0.00 H new ATOM 0 HA GLN A 101 1.766 4.727 7.898 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.411 3.156 10.001 1.00 0.00 H new ATOM 0 HB3 GLN A 101 2.104 3.469 10.329 1.00 0.00 H new ATOM 0 HG2 GLN A 101 0.191 5.676 9.523 1.00 0.00 H new ATOM 0 HG3 GLN A 101 0.385 5.176 11.192 1.00 0.00 H new ATOM 0 HE21 GLN A 101 2.493 5.394 12.215 1.00 0.00 H new ATOM 0 HE22 GLN A 101 3.619 6.621 11.626 1.00 0.00 H new ATOM 1589 N ILE A 102 2.500 1.545 7.864 1.00 0.00 N ATOM 1590 CA ILE A 102 3.553 0.577 7.592 1.00 0.00 C ATOM 1591 C ILE A 102 4.349 0.985 6.360 1.00 0.00 C ATOM 1592 O ILE A 102 5.572 1.090 6.400 1.00 0.00 O ATOM 1593 CB ILE A 102 2.965 -0.842 7.369 1.00 0.00 C ATOM 1594 CG1 ILE A 102 2.567 -1.488 8.696 1.00 0.00 C ATOM 1595 CG2 ILE A 102 3.945 -1.741 6.622 1.00 0.00 C ATOM 1596 CD1 ILE A 102 3.457 -1.116 9.854 1.00 0.00 C ATOM 0 H ILE A 102 1.563 1.144 7.907 1.00 0.00 H new ATOM 0 HA ILE A 102 4.210 0.556 8.461 1.00 0.00 H new ATOM 0 HB ILE A 102 2.071 -0.727 6.756 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.542 -1.203 8.933 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.577 -2.572 8.578 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.501 -2.727 6.483 1.00 0.00 H new ATOM 0 HG22 ILE A 102 4.171 -1.304 5.649 1.00 0.00 H new ATOM 0 HG23 ILE A 102 4.865 -1.835 7.199 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.107 -1.616 10.757 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.480 -1.426 9.641 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.429 -0.037 10.002 1.00 0.00 H new ATOM 1608 N ILE A 103 3.637 1.245 5.272 1.00 0.00 N ATOM 1609 CA ILE A 103 4.275 1.540 4.003 1.00 0.00 C ATOM 1610 C ILE A 103 4.744 2.998 3.925 1.00 0.00 C ATOM 1611 O ILE A 103 5.764 3.297 3.304 1.00 0.00 O ATOM 1612 CB ILE A 103 3.337 1.198 2.819 1.00 0.00 C ATOM 1613 CG1 ILE A 103 4.156 0.759 1.608 1.00 0.00 C ATOM 1614 CG2 ILE A 103 2.428 2.367 2.458 1.00 0.00 C ATOM 1615 CD1 ILE A 103 3.796 -0.625 1.111 1.00 0.00 C ATOM 0 H ILE A 103 2.617 1.257 5.246 1.00 0.00 H new ATOM 0 HA ILE A 103 5.161 0.909 3.932 1.00 0.00 H new ATOM 0 HB ILE A 103 2.695 0.374 3.132 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.011 1.477 0.800 1.00 0.00 H new ATOM 0 HG13 ILE A 103 5.215 0.780 1.867 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.787 2.085 1.623 1.00 0.00 H new ATOM 0 HG22 ILE A 103 1.811 2.627 3.318 1.00 0.00 H new ATOM 0 HG23 ILE A 103 3.036 3.226 2.174 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.415 -0.875 0.249 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.968 -1.353 1.904 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.745 -0.646 0.821 1.00 0.00 H new ATOM 1627 N ASN A 104 4.018 3.896 4.575 1.00 0.00 N ATOM 1628 CA ASN A 104 4.351 5.317 4.524 1.00 0.00 C ATOM 1629 C ASN A 104 5.578 5.629 5.372 1.00 0.00 C ATOM 1630 O ASN A 104 6.488 6.323 4.922 1.00 0.00 O ATOM 1631 CB ASN A 104 3.168 6.172 4.973 1.00 0.00 C ATOM 1632 CG ASN A 104 3.123 7.510 4.254 1.00 0.00 C ATOM 1633 OD1 ASN A 104 2.783 7.586 3.071 1.00 0.00 O ATOM 1634 ND2 ASN A 104 3.472 8.573 4.960 1.00 0.00 N ATOM 0 H ASN A 104 3.200 3.671 5.141 1.00 0.00 H new ATOM 0 HA ASN A 104 4.582 5.561 3.487 1.00 0.00 H new ATOM 0 HB2 ASN A 104 2.240 5.631 4.789 1.00 0.00 H new ATOM 0 HB3 ASN A 104 3.231 6.341 6.048 1.00 0.00 H new ATOM 0 HD21 ASN A 104 3.466 9.497 4.528 1.00 0.00 H new ATOM 0 HD22 ASN A 104 3.747 8.469 5.937 1.00 0.00 H new ATOM 1641 N SER A 105 5.614 5.107 6.592 1.00 0.00 N ATOM 1642 CA SER A 105 6.741 5.352 7.479 1.00 0.00 C ATOM 1643 C SER A 105 7.987 4.620 6.984 1.00 0.00 C ATOM 1644 O SER A 105 9.110 5.090 7.180 1.00 0.00 O ATOM 1645 CB SER A 105 6.398 4.937 8.908 1.00 0.00 C ATOM 1646 OG SER A 105 5.337 5.729 9.414 1.00 0.00 O ATOM 0 H SER A 105 4.882 4.516 6.986 1.00 0.00 H new ATOM 0 HA SER A 105 6.954 6.421 7.477 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.116 3.884 8.929 1.00 0.00 H new ATOM 0 HB3 SER A 105 7.276 5.045 9.545 1.00 0.00 H new ATOM 0 HG SER A 105 5.128 5.450 10.330 1.00 0.00 H new ATOM 1652 N LYS A 106 7.782 3.476 6.336 1.00 0.00 N ATOM 1653 CA LYS A 106 8.881 2.751 5.713 1.00 0.00 C ATOM 1654 C LYS A 106 9.476 3.585 4.589 1.00 0.00 C ATOM 1655 O LYS A 106 10.697 3.688 4.454 1.00 0.00 O ATOM 1656 CB LYS A 106 8.403 1.401 5.173 1.00 0.00 C ATOM 1657 CG LYS A 106 8.969 0.211 5.926 1.00 0.00 C ATOM 1658 CD LYS A 106 8.465 -1.102 5.346 1.00 0.00 C ATOM 1659 CE LYS A 106 8.646 -2.245 6.329 1.00 0.00 C ATOM 1660 NZ LYS A 106 9.652 -3.230 5.854 1.00 0.00 N ATOM 0 H LYS A 106 6.869 3.034 6.230 1.00 0.00 H new ATOM 0 HA LYS A 106 9.647 2.565 6.466 1.00 0.00 H new ATOM 0 HB2 LYS A 106 7.315 1.365 5.219 1.00 0.00 H new ATOM 0 HB3 LYS A 106 8.680 1.321 4.122 1.00 0.00 H new ATOM 0 HG2 LYS A 106 10.058 0.236 5.883 1.00 0.00 H new ATOM 0 HG3 LYS A 106 8.690 0.277 6.978 1.00 0.00 H new ATOM 0 HD2 LYS A 106 7.411 -1.006 5.086 1.00 0.00 H new ATOM 0 HD3 LYS A 106 9.002 -1.324 4.424 1.00 0.00 H new ATOM 0 HE2 LYS A 106 8.956 -1.847 7.295 1.00 0.00 H new ATOM 0 HE3 LYS A 106 7.691 -2.747 6.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 9.746 -3.994 6.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.345 -3.629 4.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 10.570 -2.757 5.732 1.00 0.00 H new ATOM 1674 N TRP A 107 8.598 4.200 3.805 1.00 0.00 N ATOM 1675 CA TRP A 107 9.007 5.097 2.736 1.00 0.00 C ATOM 1676 C TRP A 107 9.831 6.248 3.300 1.00 0.00 C ATOM 1677 O TRP A 107 10.858 6.628 2.740 1.00 0.00 O ATOM 1678 CB TRP A 107 7.777 5.642 2.008 1.00 0.00 C ATOM 1679 CG TRP A 107 8.110 6.573 0.884 1.00 0.00 C ATOM 1680 CD1 TRP A 107 8.189 7.937 0.931 1.00 0.00 C ATOM 1681 CD2 TRP A 107 8.407 6.203 -0.459 1.00 0.00 C ATOM 1682 NE1 TRP A 107 8.531 8.430 -0.301 1.00 0.00 N ATOM 1683 CE2 TRP A 107 8.667 7.384 -1.175 1.00 0.00 C ATOM 1684 CE3 TRP A 107 8.483 4.982 -1.120 1.00 0.00 C ATOM 1685 CZ2 TRP A 107 8.992 7.374 -2.526 1.00 0.00 C ATOM 1686 CZ3 TRP A 107 8.804 4.973 -2.461 1.00 0.00 C ATOM 1687 CH2 TRP A 107 9.060 6.162 -3.150 1.00 0.00 C ATOM 0 H TRP A 107 7.588 4.090 3.893 1.00 0.00 H new ATOM 0 HA TRP A 107 9.620 4.540 2.028 1.00 0.00 H new ATOM 0 HB2 TRP A 107 7.197 4.806 1.617 1.00 0.00 H new ATOM 0 HB3 TRP A 107 7.142 6.163 2.725 1.00 0.00 H new ATOM 0 HD1 TRP A 107 8.008 8.538 1.810 1.00 0.00 H new ATOM 0 HE1 TRP A 107 8.663 9.415 -0.530 1.00 0.00 H new ATOM 0 HE3 TRP A 107 8.294 4.058 -0.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 9.184 8.291 -3.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 8.859 4.032 -2.988 1.00 0.00 H new ATOM 0 HH2 TRP A 107 9.317 6.121 -4.198 1.00 0.00 H new ATOM 1698 N GLU A 108 9.373 6.789 4.422 1.00 0.00 N ATOM 1699 CA GLU A 108 10.043 7.886 5.081 1.00 0.00 C ATOM 1700 C GLU A 108 11.468 7.505 5.455 1.00 0.00 C ATOM 1701 O GLU A 108 12.405 8.280 5.245 1.00 0.00 O ATOM 1702 CB GLU A 108 9.254 8.276 6.322 1.00 0.00 C ATOM 1703 CG GLU A 108 7.994 9.062 6.008 1.00 0.00 C ATOM 1704 CD GLU A 108 8.249 10.546 5.894 1.00 0.00 C ATOM 1705 OE1 GLU A 108 9.042 10.955 5.020 1.00 0.00 O ATOM 1706 OE2 GLU A 108 7.661 11.312 6.682 1.00 0.00 O ATOM 0 H GLU A 108 8.526 6.474 4.895 1.00 0.00 H new ATOM 0 HA GLU A 108 10.095 8.735 4.399 1.00 0.00 H new ATOM 0 HB2 GLU A 108 8.984 7.374 6.871 1.00 0.00 H new ATOM 0 HB3 GLU A 108 9.891 8.870 6.978 1.00 0.00 H new ATOM 0 HG2 GLU A 108 7.566 8.698 5.074 1.00 0.00 H new ATOM 0 HG3 GLU A 108 7.254 8.883 6.788 1.00 0.00 H new ATOM 1713 N LYS A 109 11.629 6.300 5.988 1.00 0.00 N ATOM 1714 CA LYS A 109 12.944 5.795 6.352 1.00 0.00 C ATOM 1715 C LYS A 109 13.810 5.613 5.109 1.00 0.00 C ATOM 1716 O LYS A 109 15.021 5.813 5.150 1.00 0.00 O ATOM 1717 CB LYS A 109 12.825 4.472 7.109 1.00 0.00 C ATOM 1718 CG LYS A 109 11.984 4.563 8.372 1.00 0.00 C ATOM 1719 CD LYS A 109 12.854 4.643 9.614 1.00 0.00 C ATOM 1720 CE LYS A 109 12.145 4.070 10.827 1.00 0.00 C ATOM 1721 NZ LYS A 109 13.079 3.336 11.719 1.00 0.00 N ATOM 0 H LYS A 109 10.863 5.654 6.178 1.00 0.00 H new ATOM 0 HA LYS A 109 13.419 6.526 7.006 1.00 0.00 H new ATOM 0 HB2 LYS A 109 12.390 3.723 6.447 1.00 0.00 H new ATOM 0 HB3 LYS A 109 13.824 4.124 7.373 1.00 0.00 H new ATOM 0 HG2 LYS A 109 11.341 5.441 8.320 1.00 0.00 H new ATOM 0 HG3 LYS A 109 11.331 3.693 8.439 1.00 0.00 H new ATOM 0 HD2 LYS A 109 13.783 4.100 9.444 1.00 0.00 H new ATOM 0 HD3 LYS A 109 13.123 5.682 9.805 1.00 0.00 H new ATOM 0 HE2 LYS A 109 11.669 4.877 11.384 1.00 0.00 H new ATOM 0 HE3 LYS A 109 11.352 3.398 10.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 12.556 2.960 12.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 13.514 2.550 11.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 13.822 3.983 12.052 1.00 0.00 H new ATOM 1735 N VAL A 110 13.175 5.244 4.003 1.00 0.00 N ATOM 1736 CA VAL A 110 13.868 5.084 2.734 1.00 0.00 C ATOM 1737 C VAL A 110 14.446 6.423 2.265 1.00 0.00 C ATOM 1738 O VAL A 110 15.609 6.502 1.865 1.00 0.00 O ATOM 1739 CB VAL A 110 12.922 4.510 1.652 1.00 0.00 C ATOM 1740 CG1 VAL A 110 13.501 4.689 0.257 1.00 0.00 C ATOM 1741 CG2 VAL A 110 12.644 3.039 1.922 1.00 0.00 C ATOM 0 H VAL A 110 12.175 5.049 3.962 1.00 0.00 H new ATOM 0 HA VAL A 110 14.685 4.379 2.887 1.00 0.00 H new ATOM 0 HB VAL A 110 11.985 5.064 1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 110 12.812 4.275 -0.479 1.00 0.00 H new ATOM 0 HG12 VAL A 110 13.650 5.750 0.058 1.00 0.00 H new ATOM 0 HG13 VAL A 110 14.457 4.170 0.191 1.00 0.00 H new ATOM 0 HG21 VAL A 110 11.977 2.648 1.154 1.00 0.00 H new ATOM 0 HG22 VAL A 110 13.581 2.483 1.907 1.00 0.00 H new ATOM 0 HG23 VAL A 110 12.174 2.931 2.899 1.00 0.00 H new ATOM 1751 N GLN A 111 13.636 7.478 2.348 1.00 0.00 N ATOM 1752 CA GLN A 111 14.051 8.807 1.898 1.00 0.00 C ATOM 1753 C GLN A 111 15.251 9.316 2.693 1.00 0.00 C ATOM 1754 O GLN A 111 16.137 9.971 2.145 1.00 0.00 O ATOM 1755 CB GLN A 111 12.896 9.805 2.012 1.00 0.00 C ATOM 1756 CG GLN A 111 11.605 9.312 1.394 1.00 0.00 C ATOM 1757 CD GLN A 111 11.136 10.182 0.245 1.00 0.00 C ATOM 1758 OE1 GLN A 111 10.455 11.186 0.454 1.00 0.00 O ATOM 1759 NE2 GLN A 111 11.494 9.805 -0.971 1.00 0.00 N ATOM 0 H GLN A 111 12.688 7.438 2.723 1.00 0.00 H new ATOM 0 HA GLN A 111 14.343 8.718 0.852 1.00 0.00 H new ATOM 0 HB2 GLN A 111 12.723 10.029 3.065 1.00 0.00 H new ATOM 0 HB3 GLN A 111 13.186 10.739 1.531 1.00 0.00 H new ATOM 0 HG2 GLN A 111 11.744 8.291 1.038 1.00 0.00 H new ATOM 0 HG3 GLN A 111 10.830 9.280 2.160 1.00 0.00 H new ATOM 0 HE21 GLN A 111 12.059 8.966 -1.099 1.00 0.00 H new ATOM 0 HE22 GLN A 111 11.205 10.354 -1.781 1.00 0.00 H new ATOM 1768 N GLN A 112 15.284 8.998 3.983 1.00 0.00 N ATOM 1769 CA GLN A 112 16.355 9.477 4.854 1.00 0.00 C ATOM 1770 C GLN A 112 17.583 8.570 4.781 1.00 0.00 C ATOM 1771 O GLN A 112 18.621 8.867 5.374 1.00 0.00 O ATOM 1772 CB GLN A 112 15.869 9.604 6.303 1.00 0.00 C ATOM 1773 CG GLN A 112 15.436 8.297 6.939 1.00 0.00 C ATOM 1774 CD GLN A 112 16.458 7.757 7.919 1.00 0.00 C ATOM 1775 OE1 GLN A 112 16.919 8.468 8.812 1.00 0.00 O ATOM 1776 NE2 GLN A 112 16.825 6.497 7.753 1.00 0.00 N ATOM 0 H GLN A 112 14.588 8.415 4.447 1.00 0.00 H new ATOM 0 HA GLN A 112 16.646 10.466 4.499 1.00 0.00 H new ATOM 0 HB2 GLN A 112 16.668 10.038 6.904 1.00 0.00 H new ATOM 0 HB3 GLN A 112 15.032 10.302 6.332 1.00 0.00 H new ATOM 0 HG2 GLN A 112 14.487 8.445 7.455 1.00 0.00 H new ATOM 0 HG3 GLN A 112 15.262 7.557 6.157 1.00 0.00 H new ATOM 0 HE21 GLN A 112 16.418 5.942 7.000 1.00 0.00 H new ATOM 0 HE22 GLN A 112 17.515 6.080 8.378 1.00 0.00 H new ATOM 1785 N LEU A 113 17.469 7.468 4.055 1.00 0.00 N ATOM 1786 CA LEU A 113 18.594 6.561 3.873 1.00 0.00 C ATOM 1787 C LEU A 113 19.346 6.900 2.594 1.00 0.00 C ATOM 1788 O LEU A 113 20.472 6.446 2.376 1.00 0.00 O ATOM 1789 CB LEU A 113 18.114 5.110 3.835 1.00 0.00 C ATOM 1790 CG LEU A 113 17.975 4.441 5.204 1.00 0.00 C ATOM 1791 CD1 LEU A 113 16.986 3.291 5.129 1.00 0.00 C ATOM 1792 CD2 LEU A 113 19.326 3.958 5.700 1.00 0.00 C ATOM 0 H LEU A 113 16.612 7.180 3.583 1.00 0.00 H new ATOM 0 HA LEU A 113 19.271 6.679 4.719 1.00 0.00 H new ATOM 0 HB2 LEU A 113 17.149 5.075 3.330 1.00 0.00 H new ATOM 0 HB3 LEU A 113 18.810 4.528 3.231 1.00 0.00 H new ATOM 0 HG LEU A 113 17.596 5.175 5.915 1.00 0.00 H new ATOM 0 HD11 LEU A 113 16.896 2.824 6.110 1.00 0.00 H new ATOM 0 HD12 LEU A 113 16.012 3.668 4.817 1.00 0.00 H new ATOM 0 HD13 LEU A 113 17.338 2.554 4.407 1.00 0.00 H new ATOM 0 HD21 LEU A 113 19.208 3.485 6.675 1.00 0.00 H new ATOM 0 HD22 LEU A 113 19.736 3.236 4.994 1.00 0.00 H new ATOM 0 HD23 LEU A 113 20.006 4.806 5.788 1.00 0.00 H new ATOM 1804 N VAL A 114 18.713 7.711 1.756 1.00 0.00 N ATOM 1805 CA VAL A 114 19.315 8.152 0.505 1.00 0.00 C ATOM 1806 C VAL A 114 20.649 8.884 0.741 1.00 0.00 C ATOM 1807 O VAL A 114 21.670 8.487 0.178 1.00 0.00 O ATOM 1808 CB VAL A 114 18.350 9.048 -0.304 1.00 0.00 C ATOM 1809 CG1 VAL A 114 19.035 9.613 -1.539 1.00 0.00 C ATOM 1810 CG2 VAL A 114 17.107 8.271 -0.699 1.00 0.00 C ATOM 0 H VAL A 114 17.776 8.079 1.922 1.00 0.00 H new ATOM 0 HA VAL A 114 19.519 7.254 -0.078 1.00 0.00 H new ATOM 0 HB VAL A 114 18.053 9.882 0.332 1.00 0.00 H new ATOM 0 HG11 VAL A 114 18.333 10.240 -2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 114 19.895 10.211 -1.237 1.00 0.00 H new ATOM 0 HG13 VAL A 114 19.368 8.794 -2.177 1.00 0.00 H new ATOM 0 HG21 VAL A 114 16.439 8.918 -1.268 1.00 0.00 H new ATOM 0 HG22 VAL A 114 17.392 7.415 -1.311 1.00 0.00 H new ATOM 0 HG23 VAL A 114 16.596 7.921 0.198 1.00 0.00 H new ATOM 1820 N PRO A 115 20.672 9.948 1.580 1.00 0.00 N ATOM 1821 CA PRO A 115 21.900 10.715 1.852 1.00 0.00 C ATOM 1822 C PRO A 115 23.030 9.861 2.434 1.00 0.00 C ATOM 1823 O PRO A 115 24.208 10.159 2.231 1.00 0.00 O ATOM 1824 CB PRO A 115 21.458 11.771 2.873 1.00 0.00 C ATOM 1825 CG PRO A 115 20.167 11.272 3.423 1.00 0.00 C ATOM 1826 CD PRO A 115 19.521 10.506 2.312 1.00 0.00 C ATOM 0 HA PRO A 115 22.310 11.132 0.932 1.00 0.00 H new ATOM 0 HB2 PRO A 115 22.201 11.891 3.661 1.00 0.00 H new ATOM 0 HB3 PRO A 115 21.334 12.746 2.401 1.00 0.00 H new ATOM 0 HG2 PRO A 115 20.332 10.636 4.293 1.00 0.00 H new ATOM 0 HG3 PRO A 115 19.535 12.098 3.748 1.00 0.00 H new ATOM 0 HD2 PRO A 115 18.865 9.722 2.691 1.00 0.00 H new ATOM 0 HD3 PRO A 115 18.913 11.151 1.677 1.00 0.00 H new ATOM 1834 N LYS A 116 22.670 8.794 3.139 1.00 0.00 N ATOM 1835 CA LYS A 116 23.658 7.927 3.769 1.00 0.00 C ATOM 1836 C LYS A 116 24.474 7.197 2.707 1.00 0.00 C ATOM 1837 O LYS A 116 25.701 7.319 2.648 1.00 0.00 O ATOM 1838 CB LYS A 116 22.972 6.917 4.694 1.00 0.00 C ATOM 1839 CG LYS A 116 22.004 7.543 5.686 1.00 0.00 C ATOM 1840 CD LYS A 116 22.720 8.034 6.934 1.00 0.00 C ATOM 1841 CE LYS A 116 22.033 7.543 8.197 1.00 0.00 C ATOM 1842 NZ LYS A 116 23.001 6.958 9.160 1.00 0.00 N ATOM 0 H LYS A 116 21.702 8.509 3.288 1.00 0.00 H new ATOM 0 HA LYS A 116 24.330 8.545 4.365 1.00 0.00 H new ATOM 0 HB2 LYS A 116 22.433 6.191 4.086 1.00 0.00 H new ATOM 0 HB3 LYS A 116 23.736 6.368 5.245 1.00 0.00 H new ATOM 0 HG2 LYS A 116 21.485 8.376 5.212 1.00 0.00 H new ATOM 0 HG3 LYS A 116 21.245 6.812 5.965 1.00 0.00 H new ATOM 0 HD2 LYS A 116 23.754 7.688 6.922 1.00 0.00 H new ATOM 0 HD3 LYS A 116 22.749 9.124 6.934 1.00 0.00 H new ATOM 0 HE2 LYS A 116 21.506 8.372 8.670 1.00 0.00 H new ATOM 0 HE3 LYS A 116 21.283 6.796 7.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 22.494 6.635 10.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 23.486 6.151 8.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 23.702 7.678 9.429 1.00 0.00 H new ATOM 1856 N ARG A 117 23.780 6.463 1.848 1.00 0.00 N ATOM 1857 CA ARG A 117 24.427 5.717 0.778 1.00 0.00 C ATOM 1858 C ARG A 117 25.023 6.667 -0.253 1.00 0.00 C ATOM 1859 O ARG A 117 25.978 6.322 -0.946 1.00 0.00 O ATOM 1860 CB ARG A 117 23.424 4.745 0.135 1.00 0.00 C ATOM 1861 CG ARG A 117 23.865 4.176 -1.203 1.00 0.00 C ATOM 1862 CD ARG A 117 24.135 2.679 -1.128 1.00 0.00 C ATOM 1863 NE ARG A 117 23.666 1.976 -2.325 1.00 0.00 N ATOM 1864 CZ ARG A 117 23.519 0.651 -2.398 1.00 0.00 C ATOM 1865 NH1 ARG A 117 23.895 -0.118 -1.385 1.00 0.00 N ATOM 1866 NH2 ARG A 117 23.010 0.097 -3.493 1.00 0.00 N ATOM 0 H ARG A 117 22.765 6.368 1.872 1.00 0.00 H new ATOM 0 HA ARG A 117 25.246 5.132 1.196 1.00 0.00 H new ATOM 0 HB2 ARG A 117 23.244 3.920 0.824 1.00 0.00 H new ATOM 0 HB3 ARG A 117 22.473 5.261 0.000 1.00 0.00 H new ATOM 0 HG2 ARG A 117 23.095 4.368 -1.950 1.00 0.00 H new ATOM 0 HG3 ARG A 117 24.767 4.690 -1.536 1.00 0.00 H new ATOM 0 HD2 ARG A 117 25.205 2.509 -1.004 1.00 0.00 H new ATOM 0 HD3 ARG A 117 23.642 2.265 -0.248 1.00 0.00 H new ATOM 0 HE ARG A 117 23.439 2.531 -3.150 1.00 0.00 H new ATOM 0 HH11 ARG A 117 24.298 0.303 -0.547 1.00 0.00 H new ATOM 0 HH12 ARG A 117 23.782 -1.130 -1.443 1.00 0.00 H new ATOM 0 HH21 ARG A 117 22.731 0.684 -4.279 1.00 0.00 H new ATOM 0 HH22 ARG A 117 22.898 -0.915 -3.548 1.00 0.00 H new ATOM 1880 N ASP A 118 24.476 7.872 -0.322 1.00 0.00 N ATOM 1881 CA ASP A 118 25.001 8.902 -1.211 1.00 0.00 C ATOM 1882 C ASP A 118 26.448 9.216 -0.859 1.00 0.00 C ATOM 1883 O ASP A 118 27.300 9.353 -1.737 1.00 0.00 O ATOM 1884 CB ASP A 118 24.161 10.173 -1.094 1.00 0.00 C ATOM 1885 CG ASP A 118 23.550 10.602 -2.407 1.00 0.00 C ATOM 1886 OD1 ASP A 118 24.229 11.307 -3.180 1.00 0.00 O ATOM 1887 OD2 ASP A 118 22.378 10.253 -2.664 1.00 0.00 O ATOM 0 H ASP A 118 23.667 8.162 0.228 1.00 0.00 H new ATOM 0 HA ASP A 118 24.955 8.532 -2.235 1.00 0.00 H new ATOM 0 HB2 ASP A 118 23.366 10.010 -0.366 1.00 0.00 H new ATOM 0 HB3 ASP A 118 24.785 10.980 -0.710 1.00 0.00 H new ATOM 1892 N HIS A 119 26.732 9.281 0.437 1.00 0.00 N ATOM 1893 CA HIS A 119 28.060 9.655 0.903 1.00 0.00 C ATOM 1894 C HIS A 119 29.009 8.472 0.778 1.00 0.00 C ATOM 1895 O HIS A 119 30.160 8.625 0.368 1.00 0.00 O ATOM 1896 CB HIS A 119 28.020 10.155 2.354 1.00 0.00 C ATOM 1897 CG HIS A 119 29.320 10.749 2.823 1.00 0.00 C ATOM 1898 ND1 HIS A 119 29.520 12.103 2.990 1.00 0.00 N ATOM 1899 CD2 HIS A 119 30.498 10.162 3.147 1.00 0.00 C ATOM 1900 CE1 HIS A 119 30.760 12.320 3.392 1.00 0.00 C ATOM 1901 NE2 HIS A 119 31.375 11.157 3.493 1.00 0.00 N ATOM 0 H HIS A 119 26.063 9.080 1.180 1.00 0.00 H new ATOM 0 HA HIS A 119 28.422 10.471 0.278 1.00 0.00 H new ATOM 0 HB2 HIS A 119 27.233 10.903 2.450 1.00 0.00 H new ATOM 0 HB3 HIS A 119 27.753 9.325 3.008 1.00 0.00 H new ATOM 0 HD2 HIS A 119 30.708 9.103 3.135 1.00 0.00 H new ATOM 0 HE1 HIS A 119 31.196 13.285 3.602 1.00 0.00 H new ATOM 0 HE2 HIS A 119 32.344 11.021 3.781 1.00 0.00 H new ATOM 1910 N ALA A 120 28.513 7.291 1.126 1.00 0.00 N ATOM 1911 CA ALA A 120 29.307 6.071 1.043 1.00 0.00 C ATOM 1912 C ALA A 120 29.748 5.823 -0.393 1.00 0.00 C ATOM 1913 O ALA A 120 30.889 5.437 -0.646 1.00 0.00 O ATOM 1914 CB ALA A 120 28.514 4.887 1.573 1.00 0.00 C ATOM 0 H ALA A 120 27.563 7.152 1.469 1.00 0.00 H new ATOM 0 HA ALA A 120 30.198 6.191 1.660 1.00 0.00 H new ATOM 0 HB1 ALA A 120 29.120 3.983 1.505 1.00 0.00 H new ATOM 0 HB2 ALA A 120 28.245 5.066 2.614 1.00 0.00 H new ATOM 0 HB3 ALA A 120 27.608 4.762 0.981 1.00 0.00 H new ATOM 1920 N LEU A 121 28.837 6.068 -1.328 1.00 0.00 N ATOM 1921 CA LEU A 121 29.114 5.881 -2.745 1.00 0.00 C ATOM 1922 C LEU A 121 30.137 6.887 -3.241 1.00 0.00 C ATOM 1923 O LEU A 121 31.131 6.518 -3.865 1.00 0.00 O ATOM 1924 CB LEU A 121 27.831 6.020 -3.559 1.00 0.00 C ATOM 1925 CG LEU A 121 26.966 4.767 -3.619 1.00 0.00 C ATOM 1926 CD1 LEU A 121 25.547 5.129 -4.002 1.00 0.00 C ATOM 1927 CD2 LEU A 121 27.545 3.767 -4.603 1.00 0.00 C ATOM 0 H LEU A 121 27.894 6.399 -1.126 1.00 0.00 H new ATOM 0 HA LEU A 121 29.520 4.878 -2.874 1.00 0.00 H new ATOM 0 HB2 LEU A 121 27.238 6.832 -3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 121 28.094 6.311 -4.576 1.00 0.00 H new ATOM 0 HG LEU A 121 26.953 4.306 -2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 121 24.939 4.225 -4.041 1.00 0.00 H new ATOM 0 HD12 LEU A 121 25.133 5.813 -3.261 1.00 0.00 H new ATOM 0 HD13 LEU A 121 25.546 5.610 -4.980 1.00 0.00 H new ATOM 0 HD21 LEU A 121 26.914 2.879 -4.633 1.00 0.00 H new ATOM 0 HD22 LEU A 121 27.587 4.216 -5.596 1.00 0.00 H new ATOM 0 HD23 LEU A 121 28.551 3.488 -4.289 1.00 0.00 H new ATOM 1939 N LEU A 122 29.890 8.157 -2.956 1.00 0.00 N ATOM 1940 CA LEU A 122 30.756 9.229 -3.422 1.00 0.00 C ATOM 1941 C LEU A 122 32.178 9.065 -2.900 1.00 0.00 C ATOM 1942 O LEU A 122 33.141 9.213 -3.650 1.00 0.00 O ATOM 1943 CB LEU A 122 30.189 10.584 -2.999 1.00 0.00 C ATOM 1944 CG LEU A 122 29.639 11.448 -4.138 1.00 0.00 C ATOM 1945 CD1 LEU A 122 30.685 11.631 -5.227 1.00 0.00 C ATOM 1946 CD2 LEU A 122 28.372 10.831 -4.712 1.00 0.00 C ATOM 0 H LEU A 122 29.093 8.471 -2.402 1.00 0.00 H new ATOM 0 HA LEU A 122 30.794 9.180 -4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 122 29.392 10.416 -2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 122 30.972 11.143 -2.487 1.00 0.00 H new ATOM 0 HG LEU A 122 29.392 12.430 -3.734 1.00 0.00 H new ATOM 0 HD11 LEU A 122 30.274 12.248 -6.026 1.00 0.00 H new ATOM 0 HD12 LEU A 122 31.565 12.119 -4.808 1.00 0.00 H new ATOM 0 HD13 LEU A 122 30.967 10.657 -5.628 1.00 0.00 H new ATOM 0 HD21 LEU A 122 27.996 11.458 -5.520 1.00 0.00 H new ATOM 0 HD22 LEU A 122 28.594 9.836 -5.098 1.00 0.00 H new ATOM 0 HD23 LEU A 122 27.617 10.756 -3.929 1.00 0.00 H new ATOM 1958 N GLU A 123 32.308 8.748 -1.618 1.00 0.00 N ATOM 1959 CA GLU A 123 33.620 8.560 -1.011 1.00 0.00 C ATOM 1960 C GLU A 123 34.341 7.368 -1.633 1.00 0.00 C ATOM 1961 O GLU A 123 35.544 7.428 -1.891 1.00 0.00 O ATOM 1962 CB GLU A 123 33.485 8.365 0.498 1.00 0.00 C ATOM 1963 CG GLU A 123 34.589 9.035 1.298 1.00 0.00 C ATOM 1964 CD GLU A 123 34.118 10.291 2.002 1.00 0.00 C ATOM 1965 OE1 GLU A 123 33.952 11.331 1.334 1.00 0.00 O ATOM 1966 OE2 GLU A 123 33.906 10.247 3.233 1.00 0.00 O ATOM 0 H GLU A 123 31.523 8.616 -0.980 1.00 0.00 H new ATOM 0 HA GLU A 123 34.212 9.456 -1.199 1.00 0.00 H new ATOM 0 HB2 GLU A 123 32.522 8.759 0.822 1.00 0.00 H new ATOM 0 HB3 GLU A 123 33.483 7.298 0.720 1.00 0.00 H new ATOM 0 HG2 GLU A 123 34.975 8.332 2.036 1.00 0.00 H new ATOM 0 HG3 GLU A 123 35.415 9.284 0.632 1.00 0.00 H new ATOM 1973 N GLU A 124 33.598 6.299 -1.892 1.00 0.00 N ATOM 1974 CA GLU A 124 34.168 5.087 -2.461 1.00 0.00 C ATOM 1975 C GLU A 124 34.542 5.282 -3.924 1.00 0.00 C ATOM 1976 O GLU A 124 35.603 4.843 -4.360 1.00 0.00 O ATOM 1977 CB GLU A 124 33.176 3.934 -2.330 1.00 0.00 C ATOM 1978 CG GLU A 124 33.784 2.640 -1.817 1.00 0.00 C ATOM 1979 CD GLU A 124 35.002 2.854 -0.943 1.00 0.00 C ATOM 1980 OE1 GLU A 124 34.859 3.428 0.156 1.00 0.00 O ATOM 1981 OE2 GLU A 124 36.105 2.429 -1.340 1.00 0.00 O ATOM 0 H GLU A 124 32.595 6.248 -1.716 1.00 0.00 H new ATOM 0 HA GLU A 124 35.077 4.852 -1.908 1.00 0.00 H new ATOM 0 HB2 GLU A 124 32.373 4.236 -1.657 1.00 0.00 H new ATOM 0 HB3 GLU A 124 32.723 3.748 -3.304 1.00 0.00 H new ATOM 0 HG2 GLU A 124 33.031 2.093 -1.250 1.00 0.00 H new ATOM 0 HG3 GLU A 124 34.060 2.015 -2.666 1.00 0.00 H new ATOM 1988 N GLN A 125 33.677 5.947 -4.676 1.00 0.00 N ATOM 1989 CA GLN A 125 33.933 6.176 -6.088 1.00 0.00 C ATOM 1990 C GLN A 125 35.087 7.153 -6.273 1.00 0.00 C ATOM 1991 O GLN A 125 35.784 7.119 -7.286 1.00 0.00 O ATOM 1992 CB GLN A 125 32.660 6.659 -6.801 1.00 0.00 C ATOM 1993 CG GLN A 125 32.559 8.167 -6.997 1.00 0.00 C ATOM 1994 CD GLN A 125 32.176 8.548 -8.417 1.00 0.00 C ATOM 1995 OE1 GLN A 125 32.638 9.557 -8.949 1.00 0.00 O ATOM 1996 NE2 GLN A 125 31.316 7.753 -9.038 1.00 0.00 N ATOM 0 H GLN A 125 32.798 6.335 -4.334 1.00 0.00 H new ATOM 0 HA GLN A 125 34.225 5.231 -6.546 1.00 0.00 H new ATOM 0 HB2 GLN A 125 32.604 6.177 -7.777 1.00 0.00 H new ATOM 0 HB3 GLN A 125 31.794 6.324 -6.230 1.00 0.00 H new ATOM 0 HG2 GLN A 125 31.820 8.571 -6.305 1.00 0.00 H new ATOM 0 HG3 GLN A 125 33.515 8.627 -6.747 1.00 0.00 H new ATOM 0 HE21 GLN A 125 30.954 6.925 -8.565 1.00 0.00 H new ATOM 0 HE22 GLN A 125 31.016 7.969 -9.989 1.00 0.00 H new ATOM 2005 N SER A 126 35.309 8.001 -5.275 1.00 0.00 N ATOM 2006 CA SER A 126 36.433 8.927 -5.309 1.00 0.00 C ATOM 2007 C SER A 126 37.716 8.215 -4.891 1.00 0.00 C ATOM 2008 O SER A 126 38.817 8.720 -5.100 1.00 0.00 O ATOM 2009 CB SER A 126 36.162 10.132 -4.407 1.00 0.00 C ATOM 2010 OG SER A 126 35.190 10.985 -4.990 1.00 0.00 O ATOM 0 H SER A 126 34.730 8.066 -4.438 1.00 0.00 H new ATOM 0 HA SER A 126 36.557 9.289 -6.330 1.00 0.00 H new ATOM 0 HB2 SER A 126 35.816 9.792 -3.431 1.00 0.00 H new ATOM 0 HB3 SER A 126 37.087 10.685 -4.242 1.00 0.00 H new ATOM 0 HG SER A 126 34.293 10.668 -4.755 1.00 0.00 H new ATOM 2016 N LYS A 127 37.564 7.029 -4.313 1.00 0.00 N ATOM 2017 CA LYS A 127 38.705 6.218 -3.921 1.00 0.00 C ATOM 2018 C LYS A 127 39.149 5.346 -5.087 1.00 0.00 C ATOM 2019 O LYS A 127 40.124 4.597 -4.986 1.00 0.00 O ATOM 2020 CB LYS A 127 38.342 5.338 -2.723 1.00 0.00 C ATOM 2021 CG LYS A 127 39.327 5.438 -1.573 1.00 0.00 C ATOM 2022 CD LYS A 127 38.716 4.927 -0.281 1.00 0.00 C ATOM 2023 CE LYS A 127 39.567 5.288 0.926 1.00 0.00 C ATOM 2024 NZ LYS A 127 39.632 6.757 1.144 1.00 0.00 N ATOM 0 H LYS A 127 36.658 6.609 -4.106 1.00 0.00 H new ATOM 0 HA LYS A 127 39.524 6.879 -3.638 1.00 0.00 H new ATOM 0 HB2 LYS A 127 37.350 5.616 -2.366 1.00 0.00 H new ATOM 0 HB3 LYS A 127 38.283 4.300 -3.050 1.00 0.00 H new ATOM 0 HG2 LYS A 127 40.223 4.863 -1.807 1.00 0.00 H new ATOM 0 HG3 LYS A 127 39.638 6.475 -1.446 1.00 0.00 H new ATOM 0 HD2 LYS A 127 37.717 5.346 -0.160 1.00 0.00 H new ATOM 0 HD3 LYS A 127 38.603 3.844 -0.335 1.00 0.00 H new ATOM 0 HE2 LYS A 127 39.158 4.808 1.815 1.00 0.00 H new ATOM 0 HE3 LYS A 127 40.575 4.897 0.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 39.932 6.950 2.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 40.316 7.176 0.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 38.693 7.174 0.982 1.00 0.00 H new ATOM 2038 N GLN A 128 38.422 5.443 -6.191 1.00 0.00 N ATOM 2039 CA GLN A 128 38.718 4.664 -7.380 1.00 0.00 C ATOM 2040 C GLN A 128 39.396 5.532 -8.430 1.00 0.00 C ATOM 2041 O GLN A 128 40.207 6.402 -8.099 1.00 0.00 O ATOM 2042 CB GLN A 128 37.436 4.050 -7.945 1.00 0.00 C ATOM 2043 CG GLN A 128 36.908 2.890 -7.128 1.00 0.00 C ATOM 2044 CD GLN A 128 37.191 1.542 -7.761 1.00 0.00 C ATOM 2045 OE1 GLN A 128 37.724 1.452 -8.869 1.00 0.00 O ATOM 2046 NE2 GLN A 128 36.825 0.488 -7.057 1.00 0.00 N ATOM 0 H GLN A 128 37.616 6.060 -6.286 1.00 0.00 H new ATOM 0 HA GLN A 128 39.399 3.858 -7.105 1.00 0.00 H new ATOM 0 HB2 GLN A 128 36.668 4.822 -8.003 1.00 0.00 H new ATOM 0 HB3 GLN A 128 37.624 3.710 -8.964 1.00 0.00 H new ATOM 0 HG2 GLN A 128 37.355 2.920 -6.134 1.00 0.00 H new ATOM 0 HG3 GLN A 128 35.832 3.005 -6.997 1.00 0.00 H new ATOM 0 HE21 GLN A 128 36.387 0.611 -6.144 1.00 0.00 H new ATOM 0 HE22 GLN A 128 36.980 -0.450 -7.426 1.00 0.00 H new ATOM 2055 N GLN A 129 39.042 5.314 -9.687 1.00 0.00 N ATOM 2056 CA GLN A 129 39.684 5.997 -10.796 1.00 0.00 C ATOM 2057 C GLN A 129 38.846 7.187 -11.251 1.00 0.00 C ATOM 2058 O GLN A 129 38.995 7.613 -12.415 1.00 0.00 O ATOM 2059 CB GLN A 129 39.909 5.024 -11.962 1.00 0.00 C ATOM 2060 CG GLN A 129 40.525 3.698 -11.540 1.00 0.00 C ATOM 2061 CD GLN A 129 40.672 2.724 -12.693 1.00 0.00 C ATOM 2062 OE1 GLN A 129 40.852 3.123 -13.843 1.00 0.00 O ATOM 2063 NE2 GLN A 129 40.595 1.438 -12.391 1.00 0.00 N ATOM 2064 OXT GLN A 129 38.047 7.697 -10.439 1.00 0.00 O ATOM 0 H GLN A 129 38.307 4.663 -9.965 1.00 0.00 H new ATOM 0 HA GLN A 129 40.652 6.368 -10.459 1.00 0.00 H new ATOM 0 HB2 GLN A 129 38.955 4.832 -12.453 1.00 0.00 H new ATOM 0 HB3 GLN A 129 40.557 5.498 -12.699 1.00 0.00 H new ATOM 0 HG2 GLN A 129 41.505 3.882 -11.099 1.00 0.00 H new ATOM 0 HG3 GLN A 129 39.906 3.246 -10.765 1.00 0.00 H new ATOM 0 HE21 GLN A 129 40.445 1.149 -11.424 1.00 0.00 H new ATOM 0 HE22 GLN A 129 40.686 0.735 -13.125 1.00 0.00 H new TER 2073 GLN A 129