USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 709 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 24 THR OG1 : rot 180:sc= -1.38 USER MOD Set 1.2: A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -32:sc= 0.453 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.456 K(o=-0.46,f=-3.2!) USER MOD Single : A 27 LYS NZ :NH3+ 170:sc= -5.83! (180deg=-6.91!) USER MOD Single : A 30 GLN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : A 31 ASN : amide:sc= -2.24 K(o=-2.2,f=-2.9) USER MOD Single : A 36 SER OG : rot 70:sc= -0.991 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 58:sc= -0.278 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.441 X(o=-0.44,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.212 X(o=-0.21,f=0) USER MOD Single : A 56 THR OG1 : rot -94:sc= 1.23 USER MOD Single : A 63 THR OG1 : rot 115:sc= -0.317 USER MOD Single : A 71 THR OG1 : rot -49:sc= 0.494 USER MOD Single : A 74 ASN : amide:sc= -0.275 X(o=-0.28,f=0.079) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0299 USER MOD Single : A 83 LYS NZ :NH3+ -117:sc= 0 (180deg=-0.027) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl -178:sc= -1.82 (180deg=-1.94) USER MOD Single : A 91 GLN :FLIP amide:sc= -1.29 F(o=-1.9,f=-1.3) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HE2:sc= -1.27 K(o=-1.3,f=-2.8!) USER MOD Single : A 101 TYR OH : rot 180:sc= -1.18 USER MOD Single : A 102 ASN : amide:sc= -1.83 X(o=-1.8,f=-1.5) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 122 SER OG : rot 180:sc= 0.0266 USER MOD Single : B 124 LYS NZ :NH3+ -166:sc= 0.774 (180deg=0.648) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 18 0.444 -9.530 -9.966 1.00 0.00 N ATOM 2 CA THR A 18 0.351 -8.376 -9.079 1.00 0.00 C ATOM 3 C THR A 18 0.318 -7.079 -9.879 1.00 0.00 C ATOM 4 O THR A 18 0.716 -7.044 -11.043 1.00 0.00 O ATOM 5 CB THR A 18 1.533 -8.357 -8.107 1.00 0.00 C ATOM 6 OG1 THR A 18 2.720 -8.779 -8.753 1.00 0.00 O ATOM 7 CG2 THR A 18 1.326 -9.244 -6.898 1.00 0.00 C ATOM 0 HA THR A 18 -0.576 -8.458 -8.512 1.00 0.00 H new ATOM 0 HB THR A 18 1.614 -7.324 -7.770 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.500 -9.443 -9.440 1.00 0.00 H new ATOM 0 HG21 THR A 18 2.200 -9.185 -6.249 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.444 -8.912 -6.350 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.184 -10.275 -7.223 1.00 0.00 H new ATOM 15 N VAL A 19 -0.159 -6.010 -9.245 1.00 0.00 N ATOM 16 CA VAL A 19 -0.240 -4.710 -9.900 1.00 0.00 C ATOM 17 C VAL A 19 0.555 -3.657 -9.127 1.00 0.00 C ATOM 18 O VAL A 19 0.143 -3.228 -8.048 1.00 0.00 O ATOM 19 CB VAL A 19 -1.702 -4.242 -10.041 1.00 0.00 C ATOM 20 CG1 VAL A 19 -2.359 -4.102 -8.676 1.00 0.00 C ATOM 21 CG2 VAL A 19 -1.776 -2.933 -10.814 1.00 0.00 C ATOM 0 H VAL A 19 -0.494 -6.020 -8.282 1.00 0.00 H new ATOM 0 HA VAL A 19 0.190 -4.826 -10.895 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.249 -5.000 -10.603 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.390 -3.771 -8.801 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.347 -5.065 -8.166 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.812 -3.370 -8.082 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.817 -2.621 -10.902 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.210 -2.166 -10.285 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.354 -3.074 -11.809 1.00 0.00 H new ATOM 31 N PRO A 20 1.711 -3.224 -9.665 1.00 0.00 N ATOM 32 CA PRO A 20 2.556 -2.220 -9.011 1.00 0.00 C ATOM 33 C PRO A 20 1.910 -0.838 -8.996 1.00 0.00 C ATOM 34 O PRO A 20 1.114 -0.504 -9.875 1.00 0.00 O ATOM 35 CB PRO A 20 3.825 -2.207 -9.867 1.00 0.00 C ATOM 36 CG PRO A 20 3.385 -2.690 -11.205 1.00 0.00 C ATOM 37 CD PRO A 20 2.285 -3.680 -10.946 1.00 0.00 C ATOM 0 HA PRO A 20 2.736 -2.462 -7.963 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.251 -1.205 -9.928 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.593 -2.855 -9.445 1.00 0.00 H new ATOM 0 HG2 PRO A 20 3.029 -1.864 -11.821 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.211 -3.156 -11.743 1.00 0.00 H new ATOM 0 HD2 PRO A 20 1.543 -3.674 -11.744 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.669 -4.698 -10.875 1.00 0.00 H new ATOM 45 N GLY A 21 2.257 -0.041 -7.992 1.00 0.00 N ATOM 46 CA GLY A 21 1.704 1.295 -7.878 1.00 0.00 C ATOM 47 C GLY A 21 2.447 2.145 -6.867 1.00 0.00 C ATOM 48 O GLY A 21 3.048 1.621 -5.928 1.00 0.00 O ATOM 0 H GLY A 21 2.913 -0.297 -7.254 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.737 1.783 -8.852 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.655 1.227 -7.590 1.00 0.00 H new ATOM 52 N LYS A 22 2.405 3.460 -7.057 1.00 0.00 N ATOM 53 CA LYS A 22 3.081 4.382 -6.151 1.00 0.00 C ATOM 54 C LYS A 22 2.179 5.564 -5.807 1.00 0.00 C ATOM 55 O LYS A 22 1.615 6.207 -6.693 1.00 0.00 O ATOM 56 CB LYS A 22 4.382 4.885 -6.780 1.00 0.00 C ATOM 57 CG LYS A 22 4.216 5.388 -8.206 1.00 0.00 C ATOM 58 CD LYS A 22 4.309 6.904 -8.279 1.00 0.00 C ATOM 59 CE LYS A 22 4.108 7.406 -9.699 1.00 0.00 C ATOM 60 NZ LYS A 22 2.679 7.345 -10.114 1.00 0.00 N ATOM 0 H LYS A 22 1.911 3.910 -7.828 1.00 0.00 H new ATOM 0 HA LYS A 22 3.314 3.845 -5.231 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.786 5.689 -6.165 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.115 4.078 -6.771 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.984 4.945 -8.840 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.252 5.063 -8.597 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.558 7.348 -7.625 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.283 7.228 -7.912 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.464 8.433 -9.774 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.710 6.809 -10.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.585 7.696 -11.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.346 6.361 -10.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.107 7.935 -9.477 1.00 0.00 H new ATOM 74 N VAL A 23 2.048 5.843 -4.515 1.00 0.00 N ATOM 75 CA VAL A 23 1.215 6.947 -4.053 1.00 0.00 C ATOM 76 C VAL A 23 2.056 8.017 -3.363 1.00 0.00 C ATOM 77 O VAL A 23 2.900 7.711 -2.522 1.00 0.00 O ATOM 78 CB VAL A 23 0.119 6.457 -3.084 1.00 0.00 C ATOM 79 CG1 VAL A 23 0.738 5.842 -1.838 1.00 0.00 C ATOM 80 CG2 VAL A 23 -0.821 7.597 -2.716 1.00 0.00 C ATOM 0 H VAL A 23 2.508 5.320 -3.769 1.00 0.00 H new ATOM 0 HA VAL A 23 0.739 7.378 -4.934 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.463 5.686 -3.588 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.052 5.503 -1.168 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.361 4.994 -2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.349 6.588 -1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.587 7.231 -2.032 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.255 8.394 -2.234 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.295 7.983 -3.618 1.00 0.00 H new ATOM 90 N THR A 24 1.817 9.273 -3.726 1.00 0.00 N ATOM 91 CA THR A 24 2.551 10.391 -3.142 1.00 0.00 C ATOM 92 C THR A 24 1.816 10.947 -1.928 1.00 0.00 C ATOM 93 O THR A 24 0.941 11.802 -2.059 1.00 0.00 O ATOM 94 CB THR A 24 2.753 11.493 -4.181 1.00 0.00 C ATOM 95 OG1 THR A 24 3.271 10.958 -5.387 1.00 0.00 O ATOM 96 CG2 THR A 24 3.697 12.584 -3.722 1.00 0.00 C ATOM 0 H THR A 24 1.121 9.543 -4.421 1.00 0.00 H new ATOM 0 HA THR A 24 3.525 10.026 -2.818 1.00 0.00 H new ATOM 0 HB THR A 24 1.766 11.929 -4.333 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.391 11.679 -6.040 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.796 13.334 -4.507 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.301 13.052 -2.821 1.00 0.00 H new ATOM 0 HG23 THR A 24 4.675 12.153 -3.508 1.00 0.00 H new ATOM 104 N LEU A 25 2.178 10.457 -0.747 1.00 0.00 N ATOM 105 CA LEU A 25 1.553 10.905 0.491 1.00 0.00 C ATOM 106 C LEU A 25 2.338 12.056 1.113 1.00 0.00 C ATOM 107 O LEU A 25 3.469 12.333 0.716 1.00 0.00 O ATOM 108 CB LEU A 25 1.452 9.745 1.485 1.00 0.00 C ATOM 109 CG LEU A 25 0.519 8.609 1.058 1.00 0.00 C ATOM 110 CD1 LEU A 25 1.141 7.258 1.375 1.00 0.00 C ATOM 111 CD2 LEU A 25 -0.836 8.748 1.736 1.00 0.00 C ATOM 0 H LEU A 25 2.902 9.749 -0.622 1.00 0.00 H new ATOM 0 HA LEU A 25 0.550 11.260 0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.449 9.335 1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.110 10.136 2.443 1.00 0.00 H new ATOM 0 HG LEU A 25 0.371 8.672 -0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.463 6.463 1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.086 7.158 0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.321 7.183 2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.486 7.932 1.421 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.707 8.712 2.818 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.287 9.700 1.456 1.00 0.00 H new ATOM 123 N GLN A 26 1.730 12.721 2.089 1.00 0.00 N ATOM 124 CA GLN A 26 2.372 13.843 2.766 1.00 0.00 C ATOM 125 C GLN A 26 2.611 13.525 4.238 1.00 0.00 C ATOM 126 O GLN A 26 1.680 13.192 4.972 1.00 0.00 O ATOM 127 CB GLN A 26 1.515 15.103 2.637 1.00 0.00 C ATOM 128 CG GLN A 26 1.217 15.491 1.197 1.00 0.00 C ATOM 129 CD GLN A 26 -0.031 14.820 0.659 1.00 0.00 C ATOM 130 OE1 GLN A 26 -0.655 14.006 1.339 1.00 0.00 O ATOM 131 NE2 GLN A 26 -0.401 15.158 -0.572 1.00 0.00 N ATOM 0 H GLN A 26 0.794 12.503 2.429 1.00 0.00 H new ATOM 0 HA GLN A 26 3.336 14.019 2.289 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.574 14.948 3.165 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.025 15.931 3.130 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.100 16.573 1.133 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.067 15.225 0.569 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.146 15.838 -1.100 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.232 14.738 -0.988 1.00 0.00 H new ATOM 140 N LYS A 27 3.866 13.631 4.665 1.00 0.00 N ATOM 141 CA LYS A 27 4.227 13.356 6.051 1.00 0.00 C ATOM 142 C LYS A 27 3.506 14.307 6.999 1.00 0.00 C ATOM 143 O LYS A 27 3.097 15.400 6.607 1.00 0.00 O ATOM 144 CB LYS A 27 5.741 13.482 6.237 1.00 0.00 C ATOM 145 CG LYS A 27 6.544 12.554 5.340 1.00 0.00 C ATOM 146 CD LYS A 27 7.096 11.368 6.114 1.00 0.00 C ATOM 147 CE LYS A 27 7.854 10.414 5.207 1.00 0.00 C ATOM 148 NZ LYS A 27 6.994 9.292 4.739 1.00 0.00 N ATOM 0 H LYS A 27 4.649 13.905 4.071 1.00 0.00 H new ATOM 0 HA LYS A 27 3.921 12.337 6.287 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.038 14.512 6.039 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.989 13.273 7.277 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.912 12.196 4.527 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.366 13.107 4.886 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.758 11.724 6.903 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.278 10.837 6.600 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.239 10.960 4.346 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.716 10.013 5.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.490 8.761 3.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.786 8.658 5.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.104 9.672 4.358 1.00 0.00 H new ATOM 162 N ASP A 28 3.353 13.884 8.250 1.00 0.00 N ATOM 163 CA ASP A 28 2.681 14.700 9.255 1.00 0.00 C ATOM 164 C ASP A 28 3.680 15.583 9.996 1.00 0.00 C ATOM 165 O ASP A 28 4.854 15.652 9.629 1.00 0.00 O ATOM 166 CB ASP A 28 1.928 13.808 10.247 1.00 0.00 C ATOM 167 CG ASP A 28 2.851 12.888 11.021 1.00 0.00 C ATOM 168 OD1 ASP A 28 4.084 13.066 10.931 1.00 0.00 O ATOM 169 OD2 ASP A 28 2.340 11.988 11.720 1.00 0.00 O ATOM 0 H ASP A 28 3.685 12.982 8.592 1.00 0.00 H new ATOM 0 HA ASP A 28 1.965 15.345 8.746 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.376 14.435 10.947 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.194 13.210 9.707 1.00 0.00 H new ATOM 174 N ALA A 29 3.208 16.259 11.039 1.00 0.00 N ATOM 175 CA ALA A 29 4.059 17.138 11.830 1.00 0.00 C ATOM 176 C ALA A 29 5.243 16.380 12.422 1.00 0.00 C ATOM 177 O ALA A 29 6.309 16.954 12.646 1.00 0.00 O ATOM 178 CB ALA A 29 3.249 17.801 12.934 1.00 0.00 C ATOM 0 H ALA A 29 2.239 16.214 11.355 1.00 0.00 H new ATOM 0 HA ALA A 29 4.454 17.909 11.168 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.897 18.455 13.518 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.444 18.388 12.492 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.825 17.036 13.584 1.00 0.00 H new ATOM 184 N GLN A 30 5.049 15.090 12.677 1.00 0.00 N ATOM 185 CA GLN A 30 6.104 14.258 13.246 1.00 0.00 C ATOM 186 C GLN A 30 6.833 13.474 12.159 1.00 0.00 C ATOM 187 O GLN A 30 7.383 12.404 12.420 1.00 0.00 O ATOM 188 CB GLN A 30 5.520 13.291 14.278 1.00 0.00 C ATOM 189 CG GLN A 30 4.495 13.929 15.202 1.00 0.00 C ATOM 190 CD GLN A 30 5.131 14.790 16.275 1.00 0.00 C ATOM 191 OE1 GLN A 30 5.725 15.906 15.864 1.00 0.00 O flip ATOM 192 NE2 GLN A 30 5.092 14.459 17.459 1.00 0.00 N flip ATOM 0 H GLN A 30 4.173 14.599 12.499 1.00 0.00 H new ATOM 0 HA GLN A 30 6.821 14.917 13.736 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.055 12.454 13.757 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.332 12.881 14.879 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.809 14.538 14.612 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.901 13.147 15.674 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.626 13.594 17.732 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.526 15.050 18.168 1.00 0.00 H new ATOM 201 N ASN A 31 6.830 14.011 10.938 1.00 0.00 N ATOM 202 CA ASN A 31 7.491 13.362 9.804 1.00 0.00 C ATOM 203 C ASN A 31 7.206 11.862 9.777 1.00 0.00 C ATOM 204 O ASN A 31 8.037 11.071 9.330 1.00 0.00 O ATOM 205 CB ASN A 31 9.000 13.610 9.854 1.00 0.00 C ATOM 206 CG ASN A 31 9.656 12.973 11.066 1.00 0.00 C ATOM 207 OD1 ASN A 31 9.872 13.630 12.085 1.00 0.00 O ATOM 208 ND2 ASN A 31 9.976 11.689 10.960 1.00 0.00 N ATOM 0 H ASN A 31 6.376 14.895 10.709 1.00 0.00 H new ATOM 0 HA ASN A 31 7.088 13.798 8.890 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.460 13.216 8.948 1.00 0.00 H new ATOM 0 HB3 ASN A 31 9.188 14.684 9.866 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.420 11.208 11.742 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.778 11.184 10.096 1.00 0.00 H new ATOM 215 N LEU A 32 6.029 11.480 10.260 1.00 0.00 N ATOM 216 CA LEU A 32 5.634 10.078 10.294 1.00 0.00 C ATOM 217 C LEU A 32 4.263 9.883 9.658 1.00 0.00 C ATOM 218 O LEU A 32 3.235 10.162 10.276 1.00 0.00 O ATOM 219 CB LEU A 32 5.615 9.568 11.737 1.00 0.00 C ATOM 220 CG LEU A 32 6.988 9.444 12.400 1.00 0.00 C ATOM 221 CD1 LEU A 32 6.881 9.679 13.898 1.00 0.00 C ATOM 222 CD2 LEU A 32 7.595 8.078 12.115 1.00 0.00 C ATOM 0 H LEU A 32 5.331 12.123 10.634 1.00 0.00 H new ATOM 0 HA LEU A 32 6.365 9.507 9.722 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.999 10.240 12.335 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.131 8.592 11.754 1.00 0.00 H new ATOM 0 HG LEU A 32 7.644 10.207 11.980 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.868 9.587 14.352 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.489 10.679 14.082 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.210 8.940 14.335 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.572 8.007 12.594 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.940 7.300 12.508 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.708 7.948 11.039 1.00 0.00 H new ATOM 234 N ILE A 33 4.255 9.404 8.418 1.00 0.00 N ATOM 235 CA ILE A 33 3.006 9.172 7.696 1.00 0.00 C ATOM 236 C ILE A 33 2.066 8.271 8.494 1.00 0.00 C ATOM 237 O ILE A 33 0.846 8.358 8.360 1.00 0.00 O ATOM 238 CB ILE A 33 3.256 8.546 6.311 1.00 0.00 C ATOM 239 CG1 ILE A 33 4.306 7.436 6.399 1.00 0.00 C ATOM 240 CG2 ILE A 33 3.691 9.613 5.319 1.00 0.00 C ATOM 241 CD1 ILE A 33 4.421 6.612 5.135 1.00 0.00 C ATOM 0 H ILE A 33 5.097 9.169 7.892 1.00 0.00 H new ATOM 0 HA ILE A 33 2.539 10.147 7.559 1.00 0.00 H new ATOM 0 HB ILE A 33 2.323 8.105 5.960 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.276 7.881 6.623 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.058 6.777 7.231 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.864 9.155 4.345 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.910 10.368 5.232 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.611 10.081 5.668 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.183 5.845 5.269 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.463 6.138 4.921 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.700 7.259 4.303 1.00 0.00 H new ATOM 253 N GLY A 34 2.642 7.411 9.329 1.00 0.00 N ATOM 254 CA GLY A 34 1.840 6.515 10.141 1.00 0.00 C ATOM 255 C GLY A 34 1.532 5.205 9.443 1.00 0.00 C ATOM 256 O GLY A 34 0.409 4.990 8.984 1.00 0.00 O ATOM 0 H GLY A 34 3.650 7.319 9.457 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.365 6.309 11.074 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.905 7.010 10.404 1.00 0.00 H new ATOM 260 N ILE A 35 2.526 4.325 9.369 1.00 0.00 N ATOM 261 CA ILE A 35 2.352 3.026 8.728 1.00 0.00 C ATOM 262 C ILE A 35 3.413 2.036 9.196 1.00 0.00 C ATOM 263 O ILE A 35 4.608 2.334 9.172 1.00 0.00 O ATOM 264 CB ILE A 35 2.414 3.137 7.192 1.00 0.00 C ATOM 265 CG1 ILE A 35 3.648 3.932 6.764 1.00 0.00 C ATOM 266 CG2 ILE A 35 1.147 3.785 6.655 1.00 0.00 C ATOM 267 CD1 ILE A 35 4.197 3.515 5.417 1.00 0.00 C ATOM 0 H ILE A 35 3.460 4.488 9.745 1.00 0.00 H new ATOM 0 HA ILE A 35 1.365 2.665 9.017 1.00 0.00 H new ATOM 0 HB ILE A 35 2.490 2.133 6.774 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.395 4.992 6.732 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.427 3.813 7.518 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.207 3.856 5.569 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.283 3.180 6.932 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.041 4.784 7.079 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.071 4.120 5.177 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.482 2.463 5.450 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.434 3.660 4.652 1.00 0.00 H new ATOM 279 N SER A 36 2.971 0.856 9.618 1.00 0.00 N ATOM 280 CA SER A 36 3.883 -0.179 10.089 1.00 0.00 C ATOM 281 C SER A 36 4.263 -1.124 8.954 1.00 0.00 C ATOM 282 O SER A 36 3.416 -1.515 8.149 1.00 0.00 O ATOM 283 CB SER A 36 3.248 -0.967 11.235 1.00 0.00 C ATOM 284 OG SER A 36 4.086 -2.030 11.651 1.00 0.00 O ATOM 0 H SER A 36 1.986 0.593 9.643 1.00 0.00 H new ATOM 0 HA SER A 36 4.788 0.307 10.452 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.057 -0.301 12.076 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.284 -1.364 10.917 1.00 0.00 H new ATOM 0 HG SER A 36 4.876 -1.666 12.102 1.00 0.00 H new ATOM 290 N ILE A 37 5.539 -1.487 8.891 1.00 0.00 N ATOM 291 CA ILE A 37 6.029 -2.384 7.852 1.00 0.00 C ATOM 292 C ILE A 37 6.902 -3.486 8.440 1.00 0.00 C ATOM 293 O ILE A 37 7.611 -3.273 9.424 1.00 0.00 O ATOM 294 CB ILE A 37 6.839 -1.621 6.786 1.00 0.00 C ATOM 295 CG1 ILE A 37 7.864 -0.698 7.452 1.00 0.00 C ATOM 296 CG2 ILE A 37 5.909 -0.827 5.881 1.00 0.00 C ATOM 297 CD1 ILE A 37 9.269 -0.874 6.920 1.00 0.00 C ATOM 0 H ILE A 37 6.253 -1.173 9.548 1.00 0.00 H new ATOM 0 HA ILE A 37 5.152 -2.830 7.384 1.00 0.00 H new ATOM 0 HB ILE A 37 7.377 -2.345 6.174 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.556 0.338 7.308 1.00 0.00 H new ATOM 0 HG13 ILE A 37 7.865 -0.884 8.526 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.496 -0.294 5.134 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.218 -1.507 5.382 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.345 -0.110 6.478 1.00 0.00 H new ATOM 0 HD11 ILE A 37 9.942 -0.189 7.436 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.596 -1.900 7.089 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.283 -0.660 5.851 1.00 0.00 H new ATOM 309 N GLY A 38 6.848 -4.666 7.830 1.00 0.00 N ATOM 310 CA GLY A 38 7.641 -5.785 8.305 1.00 0.00 C ATOM 311 C GLY A 38 8.972 -5.891 7.588 1.00 0.00 C ATOM 312 O GLY A 38 9.088 -5.515 6.423 1.00 0.00 O ATOM 0 H GLY A 38 6.269 -4.867 7.015 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.815 -5.676 9.375 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.081 -6.710 8.166 1.00 0.00 H new ATOM 316 N GLY A 39 9.980 -6.403 8.286 1.00 0.00 N ATOM 317 CA GLY A 39 11.295 -6.547 7.691 1.00 0.00 C ATOM 318 C GLY A 39 11.336 -7.619 6.623 1.00 0.00 C ATOM 319 O GLY A 39 10.425 -8.439 6.518 1.00 0.00 O ATOM 0 H GLY A 39 9.910 -6.721 9.253 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.600 -5.595 7.257 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.018 -6.788 8.470 1.00 0.00 H new ATOM 323 N GLY A 40 12.399 -7.613 5.823 1.00 0.00 N ATOM 324 CA GLY A 40 12.538 -8.596 4.766 1.00 0.00 C ATOM 325 C GLY A 40 13.981 -8.812 4.356 1.00 0.00 C ATOM 326 O GLY A 40 14.508 -8.088 3.512 1.00 0.00 O ATOM 0 H GLY A 40 13.166 -6.944 5.889 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.113 -9.543 5.098 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.962 -8.275 3.898 1.00 0.00 H new ATOM 330 N ALA A 41 14.620 -9.812 4.956 1.00 0.00 N ATOM 331 CA ALA A 41 16.010 -10.124 4.650 1.00 0.00 C ATOM 332 C ALA A 41 16.315 -11.593 4.919 1.00 0.00 C ATOM 333 O ALA A 41 16.803 -12.307 4.044 1.00 0.00 O ATOM 334 CB ALA A 41 16.942 -9.232 5.456 1.00 0.00 C ATOM 0 H ALA A 41 14.196 -10.420 5.657 1.00 0.00 H new ATOM 0 HA ALA A 41 16.173 -9.935 3.589 1.00 0.00 H new ATOM 0 HB1 ALA A 41 17.977 -9.477 5.217 1.00 0.00 H new ATOM 0 HB2 ALA A 41 16.750 -8.188 5.209 1.00 0.00 H new ATOM 0 HB3 ALA A 41 16.768 -9.391 6.520 1.00 0.00 H new ATOM 340 N GLN A 42 16.020 -12.038 6.137 1.00 0.00 N ATOM 341 CA GLN A 42 16.260 -13.424 6.523 1.00 0.00 C ATOM 342 C GLN A 42 14.988 -14.254 6.382 1.00 0.00 C ATOM 343 O GLN A 42 14.971 -15.270 5.687 1.00 0.00 O ATOM 344 CB GLN A 42 16.778 -13.493 7.962 1.00 0.00 C ATOM 345 CG GLN A 42 18.162 -14.108 8.080 1.00 0.00 C ATOM 346 CD GLN A 42 19.052 -13.361 9.056 1.00 0.00 C ATOM 347 OE1 GLN A 42 19.536 -12.269 8.760 1.00 0.00 O ATOM 348 NE2 GLN A 42 19.271 -13.948 10.226 1.00 0.00 N ATOM 0 H GLN A 42 15.615 -11.459 6.873 1.00 0.00 H new ATOM 0 HA GLN A 42 17.016 -13.837 5.855 1.00 0.00 H new ATOM 0 HB2 GLN A 42 16.800 -12.487 8.380 1.00 0.00 H new ATOM 0 HB3 GLN A 42 16.079 -14.074 8.564 1.00 0.00 H new ATOM 0 HG2 GLN A 42 18.068 -15.146 8.401 1.00 0.00 H new ATOM 0 HG3 GLN A 42 18.635 -14.119 7.098 1.00 0.00 H new ATOM 0 HE21 GLN A 42 18.849 -14.854 10.429 1.00 0.00 H new ATOM 0 HE22 GLN A 42 19.861 -13.493 10.922 1.00 0.00 H new ATOM 357 N TYR A 43 13.924 -13.810 7.043 1.00 0.00 N ATOM 358 CA TYR A 43 12.644 -14.510 6.991 1.00 0.00 C ATOM 359 C TYR A 43 11.704 -13.845 5.991 1.00 0.00 C ATOM 360 O TYR A 43 10.483 -13.891 6.146 1.00 0.00 O ATOM 361 CB TYR A 43 11.999 -14.540 8.376 1.00 0.00 C ATOM 362 CG TYR A 43 12.664 -15.502 9.335 1.00 0.00 C ATOM 363 CD1 TYR A 43 13.849 -15.166 9.976 1.00 0.00 C ATOM 364 CD2 TYR A 43 12.106 -16.747 9.597 1.00 0.00 C ATOM 365 CE1 TYR A 43 14.460 -16.042 10.852 1.00 0.00 C ATOM 366 CE2 TYR A 43 12.710 -17.629 10.472 1.00 0.00 C ATOM 367 CZ TYR A 43 13.887 -17.272 11.096 1.00 0.00 C ATOM 368 OH TYR A 43 14.492 -18.149 11.968 1.00 0.00 O ATOM 0 H TYR A 43 13.922 -12.969 7.621 1.00 0.00 H new ATOM 0 HA TYR A 43 12.829 -15.533 6.664 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.028 -13.537 8.802 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.949 -14.812 8.272 1.00 0.00 H new ATOM 0 HD1 TYR A 43 14.301 -14.203 9.786 1.00 0.00 H new ATOM 0 HD2 TYR A 43 11.185 -17.030 9.109 1.00 0.00 H new ATOM 0 HE1 TYR A 43 15.381 -15.765 11.343 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.263 -18.593 10.666 1.00 0.00 H new ATOM 0 HH TYR A 43 13.959 -18.969 12.029 1.00 0.00 H new ATOM 378 N CYS A 44 12.281 -13.227 4.964 1.00 0.00 N ATOM 379 CA CYS A 44 11.498 -12.552 3.936 1.00 0.00 C ATOM 380 C CYS A 44 12.417 -11.944 2.876 1.00 0.00 C ATOM 381 O CYS A 44 13.347 -11.208 3.202 1.00 0.00 O ATOM 382 CB CYS A 44 10.627 -11.459 4.562 1.00 0.00 C ATOM 383 SG CYS A 44 8.881 -11.906 4.713 1.00 0.00 S ATOM 0 H CYS A 44 13.290 -13.180 4.822 1.00 0.00 H new ATOM 0 HA CYS A 44 10.852 -13.288 3.458 1.00 0.00 H new ATOM 0 HB2 CYS A 44 11.017 -11.220 5.551 1.00 0.00 H new ATOM 0 HB3 CYS A 44 10.709 -10.554 3.960 1.00 0.00 H new ATOM 0 HG CYS A 44 8.769 -12.982 5.434 1.00 0.00 H new ATOM 389 N PRO A 45 12.174 -12.248 1.588 1.00 0.00 N ATOM 390 CA PRO A 45 12.993 -11.725 0.491 1.00 0.00 C ATOM 391 C PRO A 45 12.750 -10.241 0.223 1.00 0.00 C ATOM 392 O PRO A 45 13.502 -9.604 -0.514 1.00 0.00 O ATOM 393 CB PRO A 45 12.551 -12.563 -0.709 1.00 0.00 C ATOM 394 CG PRO A 45 11.152 -12.962 -0.393 1.00 0.00 C ATOM 395 CD PRO A 45 11.091 -13.122 1.101 1.00 0.00 C ATOM 0 HA PRO A 45 14.057 -11.795 0.715 1.00 0.00 H new ATOM 0 HB2 PRO A 45 12.600 -11.988 -1.634 1.00 0.00 H new ATOM 0 HB3 PRO A 45 13.192 -13.435 -0.841 1.00 0.00 H new ATOM 0 HG2 PRO A 45 10.445 -12.205 -0.733 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.889 -13.893 -0.896 1.00 0.00 H new ATOM 0 HD2 PRO A 45 10.122 -12.819 1.497 1.00 0.00 H new ATOM 0 HD3 PRO A 45 11.247 -14.159 1.400 1.00 0.00 H new ATOM 403 N CYS A 46 11.694 -9.693 0.822 1.00 0.00 N ATOM 404 CA CYS A 46 11.364 -8.284 0.636 1.00 0.00 C ATOM 405 C CYS A 46 10.552 -7.750 1.811 1.00 0.00 C ATOM 406 O CYS A 46 10.016 -8.517 2.610 1.00 0.00 O ATOM 407 CB CYS A 46 10.584 -8.092 -0.666 1.00 0.00 C ATOM 408 SG CYS A 46 9.221 -9.257 -0.889 1.00 0.00 S ATOM 0 H CYS A 46 11.057 -10.201 1.436 1.00 0.00 H new ATOM 0 HA CYS A 46 12.297 -7.724 0.582 1.00 0.00 H new ATOM 0 HB2 CYS A 46 10.188 -7.077 -0.693 1.00 0.00 H new ATOM 0 HB3 CYS A 46 11.271 -8.189 -1.506 1.00 0.00 H new ATOM 0 HG CYS A 46 8.622 -9.013 -2.016 1.00 0.00 H new ATOM 414 N LEU A 47 10.465 -6.426 1.906 1.00 0.00 N ATOM 415 CA LEU A 47 9.717 -5.781 2.979 1.00 0.00 C ATOM 416 C LEU A 47 8.217 -5.998 2.800 1.00 0.00 C ATOM 417 O LEU A 47 7.770 -6.483 1.761 1.00 0.00 O ATOM 418 CB LEU A 47 10.029 -4.281 3.016 1.00 0.00 C ATOM 419 CG LEU A 47 10.625 -3.775 4.330 1.00 0.00 C ATOM 420 CD1 LEU A 47 11.863 -4.576 4.700 1.00 0.00 C ATOM 421 CD2 LEU A 47 10.955 -2.292 4.228 1.00 0.00 C ATOM 0 H LEU A 47 10.904 -5.779 1.251 1.00 0.00 H new ATOM 0 HA LEU A 47 10.021 -6.231 3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.723 -4.050 2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.110 -3.730 2.815 1.00 0.00 H new ATOM 0 HG LEU A 47 9.885 -3.909 5.119 1.00 0.00 H new ATOM 0 HD11 LEU A 47 12.272 -4.201 5.638 1.00 0.00 H new ATOM 0 HD12 LEU A 47 11.596 -5.626 4.815 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.610 -4.476 3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 47 11.378 -1.948 5.172 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.677 -2.134 3.427 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.046 -1.731 4.012 1.00 0.00 H new ATOM 433 N TYR A 48 7.445 -5.635 3.819 1.00 0.00 N ATOM 434 CA TYR A 48 5.995 -5.791 3.771 1.00 0.00 C ATOM 435 C TYR A 48 5.306 -4.751 4.650 1.00 0.00 C ATOM 436 O TYR A 48 5.953 -4.058 5.433 1.00 0.00 O ATOM 437 CB TYR A 48 5.597 -7.199 4.216 1.00 0.00 C ATOM 438 CG TYR A 48 5.708 -8.234 3.119 1.00 0.00 C ATOM 439 CD1 TYR A 48 5.064 -8.054 1.901 1.00 0.00 C ATOM 440 CD2 TYR A 48 6.455 -9.390 3.302 1.00 0.00 C ATOM 441 CE1 TYR A 48 5.162 -8.998 0.897 1.00 0.00 C ATOM 442 CE2 TYR A 48 6.558 -10.339 2.302 1.00 0.00 C ATOM 443 CZ TYR A 48 5.910 -10.138 1.102 1.00 0.00 C ATOM 444 OH TYR A 48 6.011 -11.079 0.104 1.00 0.00 O ATOM 0 H TYR A 48 7.798 -5.231 4.687 1.00 0.00 H new ATOM 0 HA TYR A 48 5.672 -5.640 2.741 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.228 -7.499 5.052 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.571 -7.179 4.583 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.478 -7.162 1.737 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.964 -9.550 4.241 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.655 -8.844 -0.044 1.00 0.00 H new ATOM 0 HE2 TYR A 48 7.143 -11.233 2.460 1.00 0.00 H new ATOM 0 HH TYR A 48 6.575 -11.820 0.409 1.00 0.00 H new ATOM 454 N ILE A 49 3.987 -4.654 4.514 1.00 0.00 N ATOM 455 CA ILE A 49 3.207 -3.701 5.296 1.00 0.00 C ATOM 456 C ILE A 49 2.336 -4.418 6.322 1.00 0.00 C ATOM 457 O ILE A 49 2.044 -5.606 6.180 1.00 0.00 O ATOM 458 CB ILE A 49 2.311 -2.832 4.392 1.00 0.00 C ATOM 459 CG1 ILE A 49 3.128 -2.251 3.238 1.00 0.00 C ATOM 460 CG2 ILE A 49 1.660 -1.721 5.202 1.00 0.00 C ATOM 461 CD1 ILE A 49 2.320 -1.378 2.302 1.00 0.00 C ATOM 0 H ILE A 49 3.437 -5.223 3.871 1.00 0.00 H new ATOM 0 HA ILE A 49 3.918 -3.057 5.814 1.00 0.00 H new ATOM 0 HB ILE A 49 1.523 -3.458 3.975 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.952 -1.666 3.646 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.569 -3.069 2.668 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.030 -1.116 4.550 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.050 -2.157 5.993 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.433 -1.093 5.645 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.965 -1.001 1.508 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.512 -1.964 1.865 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.901 -0.539 2.858 1.00 0.00 H new ATOM 473 N VAL A 50 1.925 -3.691 7.357 1.00 0.00 N ATOM 474 CA VAL A 50 1.089 -4.262 8.407 1.00 0.00 C ATOM 475 C VAL A 50 -0.282 -3.596 8.447 1.00 0.00 C ATOM 476 O VAL A 50 -1.301 -4.240 8.204 1.00 0.00 O ATOM 477 CB VAL A 50 1.753 -4.126 9.790 1.00 0.00 C ATOM 478 CG1 VAL A 50 0.970 -4.900 10.838 1.00 0.00 C ATOM 479 CG2 VAL A 50 3.198 -4.603 9.736 1.00 0.00 C ATOM 0 H VAL A 50 2.157 -2.707 7.491 1.00 0.00 H new ATOM 0 HA VAL A 50 0.968 -5.319 8.171 1.00 0.00 H new ATOM 0 HB VAL A 50 1.750 -3.073 10.072 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.455 -4.792 11.808 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.046 -4.510 10.895 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.939 -5.954 10.564 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.652 -4.500 10.721 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.225 -5.649 9.432 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.753 -4.002 9.016 1.00 0.00 H new ATOM 489 N GLN A 51 -0.301 -2.304 8.760 1.00 0.00 N ATOM 490 CA GLN A 51 -1.550 -1.556 8.832 1.00 0.00 C ATOM 491 C GLN A 51 -1.287 -0.057 8.931 1.00 0.00 C ATOM 492 O GLN A 51 -0.137 0.384 8.921 1.00 0.00 O ATOM 493 CB GLN A 51 -2.375 -2.018 10.036 1.00 0.00 C ATOM 494 CG GLN A 51 -1.583 -2.071 11.332 1.00 0.00 C ATOM 495 CD GLN A 51 -2.320 -2.803 12.435 1.00 0.00 C ATOM 496 OE1 GLN A 51 -2.884 -2.184 13.339 1.00 0.00 O ATOM 497 NE2 GLN A 51 -2.318 -4.131 12.370 1.00 0.00 N ATOM 0 H GLN A 51 0.533 -1.755 8.967 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.110 -1.748 7.917 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.222 -1.345 10.165 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.783 -3.007 9.828 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.628 -2.563 11.150 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.361 -1.055 11.660 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.838 -4.603 11.604 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.796 -4.677 13.086 1.00 0.00 H new ATOM 506 N VAL A 52 -2.360 0.722 9.026 1.00 0.00 N ATOM 507 CA VAL A 52 -2.249 2.172 9.127 1.00 0.00 C ATOM 508 C VAL A 52 -2.790 2.669 10.462 1.00 0.00 C ATOM 509 O VAL A 52 -3.495 1.945 11.166 1.00 0.00 O ATOM 510 CB VAL A 52 -3.010 2.883 7.989 1.00 0.00 C ATOM 511 CG1 VAL A 52 -2.548 4.325 7.851 1.00 0.00 C ATOM 512 CG2 VAL A 52 -2.840 2.135 6.675 1.00 0.00 C ATOM 0 H VAL A 52 -3.318 0.372 9.035 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.188 2.410 9.048 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.070 2.888 8.242 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.098 4.807 7.043 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.733 4.857 8.784 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.481 4.346 7.627 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.385 2.655 5.887 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.782 2.091 6.416 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.231 1.123 6.779 1.00 0.00 H new ATOM 522 N PHE A 53 -2.460 3.909 10.802 1.00 0.00 N ATOM 523 CA PHE A 53 -2.918 4.506 12.049 1.00 0.00 C ATOM 524 C PHE A 53 -4.039 5.506 11.786 1.00 0.00 C ATOM 525 O PHE A 53 -4.129 6.083 10.703 1.00 0.00 O ATOM 526 CB PHE A 53 -1.758 5.197 12.767 1.00 0.00 C ATOM 527 CG PHE A 53 -0.926 4.263 13.597 1.00 0.00 C ATOM 528 CD1 PHE A 53 -0.111 3.318 12.994 1.00 0.00 C ATOM 529 CD2 PHE A 53 -0.960 4.326 14.981 1.00 0.00 C ATOM 530 CE1 PHE A 53 0.655 2.454 13.755 1.00 0.00 C ATOM 531 CE2 PHE A 53 -0.197 3.465 15.748 1.00 0.00 C ATOM 532 CZ PHE A 53 0.612 2.529 15.133 1.00 0.00 C ATOM 0 H PHE A 53 -1.877 4.520 10.231 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.303 3.710 12.687 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.119 5.680 12.027 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.155 5.984 13.408 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.074 3.256 11.916 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.590 5.057 15.466 1.00 0.00 H new ATOM 0 HE1 PHE A 53 1.286 1.722 13.272 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.233 3.524 16.826 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.210 1.856 15.730 1.00 0.00 H new ATOM 542 N ASP A 54 -4.895 5.703 12.782 1.00 0.00 N ATOM 543 CA ASP A 54 -6.013 6.629 12.655 1.00 0.00 C ATOM 544 C ASP A 54 -5.540 8.077 12.742 1.00 0.00 C ATOM 545 O ASP A 54 -4.546 8.381 13.401 1.00 0.00 O ATOM 546 CB ASP A 54 -7.054 6.357 13.741 1.00 0.00 C ATOM 547 CG ASP A 54 -8.407 6.956 13.410 1.00 0.00 C ATOM 548 OD1 ASP A 54 -8.727 7.070 12.206 1.00 0.00 O ATOM 549 OD2 ASP A 54 -9.145 7.313 14.350 1.00 0.00 O ATOM 0 H ASP A 54 -4.836 5.234 13.686 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.467 6.474 11.676 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.160 5.281 13.877 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.701 6.765 14.688 1.00 0.00 H new ATOM 554 N ASN A 55 -6.267 8.966 12.073 1.00 0.00 N ATOM 555 CA ASN A 55 -5.936 10.388 12.072 1.00 0.00 C ATOM 556 C ASN A 55 -4.554 10.638 11.472 1.00 0.00 C ATOM 557 O ASN A 55 -3.897 11.625 11.801 1.00 0.00 O ATOM 558 CB ASN A 55 -5.990 10.946 13.495 1.00 0.00 C ATOM 559 CG ASN A 55 -7.406 11.028 14.031 1.00 0.00 C ATOM 560 OD1 ASN A 55 -8.030 12.088 14.006 1.00 0.00 O ATOM 561 ND2 ASN A 55 -7.920 9.906 14.518 1.00 0.00 N ATOM 0 H ASN A 55 -7.092 8.727 11.523 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.674 10.899 11.454 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.392 10.315 14.152 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.541 11.939 13.510 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.869 9.900 14.892 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.366 9.049 14.519 1.00 0.00 H new ATOM 568 N THR A 56 -4.122 9.746 10.586 1.00 0.00 N ATOM 569 CA THR A 56 -2.821 9.885 9.940 1.00 0.00 C ATOM 570 C THR A 56 -2.987 10.189 8.455 1.00 0.00 C ATOM 571 O THR A 56 -3.985 9.809 7.844 1.00 0.00 O ATOM 572 CB THR A 56 -1.993 8.612 10.126 1.00 0.00 C ATOM 573 OG1 THR A 56 -2.574 7.530 9.422 1.00 0.00 O ATOM 574 CG2 THR A 56 -1.851 8.197 11.574 1.00 0.00 C ATOM 0 H THR A 56 -4.651 8.922 10.300 1.00 0.00 H new ATOM 0 HA THR A 56 -2.296 10.717 10.408 1.00 0.00 H new ATOM 0 HB THR A 56 -1.003 8.850 9.736 1.00 0.00 H new ATOM 0 HG1 THR A 56 -3.166 7.029 10.022 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.253 7.288 11.635 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.360 8.993 12.134 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.838 8.011 11.998 1.00 0.00 H new ATOM 582 N PRO A 57 -2.009 10.882 7.849 1.00 0.00 N ATOM 583 CA PRO A 57 -2.054 11.234 6.425 1.00 0.00 C ATOM 584 C PRO A 57 -2.171 10.005 5.531 1.00 0.00 C ATOM 585 O PRO A 57 -2.791 10.056 4.468 1.00 0.00 O ATOM 586 CB PRO A 57 -0.720 11.953 6.180 1.00 0.00 C ATOM 587 CG PRO A 57 0.145 11.582 7.335 1.00 0.00 C ATOM 588 CD PRO A 57 -0.782 11.374 8.496 1.00 0.00 C ATOM 0 HA PRO A 57 -2.925 11.845 6.188 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.272 11.640 5.237 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.860 13.033 6.124 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.713 10.676 7.122 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.868 12.369 7.549 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.383 10.652 9.208 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.957 12.299 9.045 1.00 0.00 H new ATOM 596 N ALA A 58 -1.573 8.902 5.968 1.00 0.00 N ATOM 597 CA ALA A 58 -1.613 7.659 5.209 1.00 0.00 C ATOM 598 C ALA A 58 -3.017 7.065 5.197 1.00 0.00 C ATOM 599 O ALA A 58 -3.476 6.551 4.176 1.00 0.00 O ATOM 600 CB ALA A 58 -0.617 6.660 5.782 1.00 0.00 C ATOM 0 H ALA A 58 -1.055 8.844 6.845 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.336 7.882 4.179 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.657 5.735 5.206 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.388 7.078 5.729 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.869 6.451 6.822 1.00 0.00 H new ATOM 606 N ALA A 59 -3.695 7.136 6.338 1.00 0.00 N ATOM 607 CA ALA A 59 -5.047 6.605 6.459 1.00 0.00 C ATOM 608 C ALA A 59 -6.068 7.557 5.844 1.00 0.00 C ATOM 609 O ALA A 59 -6.916 7.148 5.051 1.00 0.00 O ATOM 610 CB ALA A 59 -5.382 6.342 7.919 1.00 0.00 C ATOM 0 H ALA A 59 -3.329 7.557 7.192 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.091 5.663 5.912 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.395 5.946 7.994 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.678 5.618 8.329 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.314 7.273 8.481 1.00 0.00 H new ATOM 616 N LEU A 60 -5.980 8.831 6.215 1.00 0.00 N ATOM 617 CA LEU A 60 -6.895 9.844 5.702 1.00 0.00 C ATOM 618 C LEU A 60 -6.860 9.890 4.177 1.00 0.00 C ATOM 619 O LEU A 60 -7.880 10.124 3.531 1.00 0.00 O ATOM 620 CB LEU A 60 -6.539 11.219 6.272 1.00 0.00 C ATOM 621 CG LEU A 60 -6.577 11.320 7.799 1.00 0.00 C ATOM 622 CD1 LEU A 60 -5.829 12.557 8.271 1.00 0.00 C ATOM 623 CD2 LEU A 60 -8.015 11.344 8.296 1.00 0.00 C ATOM 0 H LEU A 60 -5.283 9.186 6.870 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.904 9.577 6.016 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.540 11.489 5.931 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.227 11.956 5.858 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.084 10.441 8.214 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.867 12.612 9.359 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.790 12.500 7.946 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.293 13.447 7.846 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.023 11.416 9.384 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.532 12.204 7.872 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.521 10.429 7.989 1.00 0.00 H new ATOM 635 N ASP A 61 -5.679 9.665 3.610 1.00 0.00 N ATOM 636 CA ASP A 61 -5.514 9.680 2.160 1.00 0.00 C ATOM 637 C ASP A 61 -6.261 8.515 1.517 1.00 0.00 C ATOM 638 O ASP A 61 -7.099 8.713 0.637 1.00 0.00 O ATOM 639 CB ASP A 61 -4.031 9.616 1.793 1.00 0.00 C ATOM 640 CG ASP A 61 -3.788 9.869 0.318 1.00 0.00 C ATOM 641 OD1 ASP A 61 -4.238 10.920 -0.186 1.00 0.00 O ATOM 642 OD2 ASP A 61 -3.150 9.017 -0.334 1.00 0.00 O ATOM 0 H ASP A 61 -4.824 9.471 4.131 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.934 10.612 1.781 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.482 10.352 2.380 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.635 8.636 2.061 1.00 0.00 H new ATOM 647 N GLY A 62 -5.953 7.302 1.963 1.00 0.00 N ATOM 648 CA GLY A 62 -6.604 6.124 1.421 1.00 0.00 C ATOM 649 C GLY A 62 -5.844 5.524 0.255 1.00 0.00 C ATOM 650 O GLY A 62 -6.220 5.709 -0.902 1.00 0.00 O ATOM 0 H GLY A 62 -5.264 7.114 2.691 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.706 5.376 2.207 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.611 6.386 1.097 1.00 0.00 H new ATOM 654 N THR A 63 -4.769 4.803 0.561 1.00 0.00 N ATOM 655 CA THR A 63 -3.954 4.172 -0.470 1.00 0.00 C ATOM 656 C THR A 63 -3.151 3.010 0.105 1.00 0.00 C ATOM 657 O THR A 63 -3.380 1.852 -0.245 1.00 0.00 O ATOM 658 CB THR A 63 -3.009 5.198 -1.098 1.00 0.00 C ATOM 659 OG1 THR A 63 -3.584 6.492 -1.070 1.00 0.00 O ATOM 660 CG2 THR A 63 -2.656 4.885 -2.537 1.00 0.00 C ATOM 0 H THR A 63 -4.443 4.642 1.514 1.00 0.00 H new ATOM 0 HA THR A 63 -4.622 3.782 -1.239 1.00 0.00 H new ATOM 0 HB THR A 63 -2.099 5.156 -0.500 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.048 7.076 -0.494 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.983 5.652 -2.922 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.166 3.913 -2.588 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.565 4.865 -3.138 1.00 0.00 H new ATOM 668 N VAL A 64 -2.209 3.325 0.987 1.00 0.00 N ATOM 669 CA VAL A 64 -1.372 2.308 1.608 1.00 0.00 C ATOM 670 C VAL A 64 -2.028 1.745 2.863 1.00 0.00 C ATOM 671 O VAL A 64 -2.629 2.482 3.645 1.00 0.00 O ATOM 672 CB VAL A 64 0.015 2.868 1.974 1.00 0.00 C ATOM 673 CG1 VAL A 64 0.778 3.265 0.720 1.00 0.00 C ATOM 674 CG2 VAL A 64 -0.119 4.050 2.922 1.00 0.00 C ATOM 0 H VAL A 64 -2.007 4.278 1.288 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.251 1.509 0.876 1.00 0.00 H new ATOM 0 HB VAL A 64 0.579 2.086 2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.756 3.659 0.998 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.907 2.392 0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.219 4.030 0.181 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.871 4.432 3.169 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.702 4.836 2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.622 3.730 3.834 1.00 0.00 H new ATOM 684 N ALA A 65 -1.908 0.435 3.051 1.00 0.00 N ATOM 685 CA ALA A 65 -2.491 -0.227 4.213 1.00 0.00 C ATOM 686 C ALA A 65 -2.100 -1.701 4.258 1.00 0.00 C ATOM 687 O ALA A 65 -1.229 -2.145 3.509 1.00 0.00 O ATOM 688 CB ALA A 65 -4.005 -0.079 4.200 1.00 0.00 C ATOM 0 H ALA A 65 -1.413 -0.189 2.414 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.099 0.253 5.110 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.427 -0.578 5.073 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.267 0.979 4.224 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.407 -0.532 3.294 1.00 0.00 H new ATOM 694 N ALA A 66 -2.751 -2.454 5.139 1.00 0.00 N ATOM 695 CA ALA A 66 -2.473 -3.878 5.280 1.00 0.00 C ATOM 696 C ALA A 66 -2.711 -4.618 3.970 1.00 0.00 C ATOM 697 O ALA A 66 -3.693 -4.366 3.272 1.00 0.00 O ATOM 698 CB ALA A 66 -3.330 -4.473 6.387 1.00 0.00 C ATOM 0 H ALA A 66 -3.474 -2.101 5.766 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.422 -3.993 5.544 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.113 -5.537 6.483 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.108 -3.971 7.329 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.384 -4.338 6.144 1.00 0.00 H new ATOM 704 N GLY A 67 -1.806 -5.535 3.640 1.00 0.00 N ATOM 705 CA GLY A 67 -1.938 -6.298 2.413 1.00 0.00 C ATOM 706 C GLY A 67 -1.003 -5.813 1.322 1.00 0.00 C ATOM 707 O GLY A 67 -0.400 -6.617 0.611 1.00 0.00 O ATOM 0 H GLY A 67 -0.985 -5.763 4.200 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.736 -7.349 2.619 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.967 -6.235 2.059 1.00 0.00 H new ATOM 711 N ASP A 68 -0.882 -4.497 1.191 1.00 0.00 N ATOM 712 CA ASP A 68 -0.013 -3.907 0.178 1.00 0.00 C ATOM 713 C ASP A 68 1.434 -4.350 0.377 1.00 0.00 C ATOM 714 O ASP A 68 1.838 -4.704 1.484 1.00 0.00 O ATOM 715 CB ASP A 68 -0.102 -2.381 0.227 1.00 0.00 C ATOM 716 CG ASP A 68 -1.435 -1.863 -0.278 1.00 0.00 C ATOM 717 OD1 ASP A 68 -2.109 -2.594 -1.033 1.00 0.00 O ATOM 718 OD2 ASP A 68 -1.805 -0.724 0.083 1.00 0.00 O ATOM 0 H ASP A 68 -1.374 -3.818 1.772 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.349 -4.253 -0.800 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.051 -2.044 1.252 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.702 -1.953 -0.373 1.00 0.00 H new ATOM 723 N GLU A 69 2.206 -4.328 -0.705 1.00 0.00 N ATOM 724 CA GLU A 69 3.608 -4.729 -0.649 1.00 0.00 C ATOM 725 C GLU A 69 4.522 -3.563 -1.012 1.00 0.00 C ATOM 726 O GLU A 69 4.631 -3.185 -2.178 1.00 0.00 O ATOM 727 CB GLU A 69 3.861 -5.904 -1.597 1.00 0.00 C ATOM 728 CG GLU A 69 5.296 -6.405 -1.575 1.00 0.00 C ATOM 729 CD GLU A 69 5.641 -7.240 -2.792 1.00 0.00 C ATOM 730 OE1 GLU A 69 4.714 -7.821 -3.396 1.00 0.00 O ATOM 731 OE2 GLU A 69 6.838 -7.311 -3.143 1.00 0.00 O ATOM 0 H GLU A 69 1.886 -4.038 -1.629 1.00 0.00 H new ATOM 0 HA GLU A 69 3.832 -5.039 0.372 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.194 -6.724 -1.331 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.606 -5.602 -2.613 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.974 -5.553 -1.520 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.456 -6.998 -0.675 1.00 0.00 H new ATOM 738 N ILE A 70 5.177 -2.997 -0.003 1.00 0.00 N ATOM 739 CA ILE A 70 6.083 -1.875 -0.214 1.00 0.00 C ATOM 740 C ILE A 70 7.347 -2.320 -0.945 1.00 0.00 C ATOM 741 O ILE A 70 7.817 -3.443 -0.764 1.00 0.00 O ATOM 742 CB ILE A 70 6.475 -1.210 1.122 1.00 0.00 C ATOM 743 CG1 ILE A 70 7.356 0.017 0.872 1.00 0.00 C ATOM 744 CG2 ILE A 70 7.186 -2.207 2.025 1.00 0.00 C ATOM 745 CD1 ILE A 70 7.325 1.023 2.001 1.00 0.00 C ATOM 0 H ILE A 70 5.097 -3.297 0.968 1.00 0.00 H new ATOM 0 HA ILE A 70 5.552 -1.148 -0.828 1.00 0.00 H new ATOM 0 HB ILE A 70 5.565 -0.881 1.625 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.384 -0.310 0.715 1.00 0.00 H new ATOM 0 HG13 ILE A 70 7.033 0.505 -0.048 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.455 -1.721 2.963 1.00 0.00 H new ATOM 0 HG22 ILE A 70 6.524 -3.049 2.229 1.00 0.00 H new ATOM 0 HG23 ILE A 70 8.088 -2.567 1.531 1.00 0.00 H new ATOM 0 HD11 ILE A 70 7.972 1.865 1.756 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.304 1.378 2.144 1.00 0.00 H new ATOM 0 HD13 ILE A 70 7.677 0.551 2.919 1.00 0.00 H new ATOM 757 N THR A 71 7.890 -1.432 -1.772 1.00 0.00 N ATOM 758 CA THR A 71 9.099 -1.734 -2.529 1.00 0.00 C ATOM 759 C THR A 71 9.683 -0.470 -3.152 1.00 0.00 C ATOM 760 O THR A 71 10.262 -0.512 -4.238 1.00 0.00 O ATOM 761 CB THR A 71 8.797 -2.762 -3.621 1.00 0.00 C ATOM 762 OG1 THR A 71 9.971 -3.087 -4.343 1.00 0.00 O ATOM 763 CG2 THR A 71 7.761 -2.289 -4.617 1.00 0.00 C ATOM 0 H THR A 71 7.512 -0.499 -1.935 1.00 0.00 H new ATOM 0 HA THR A 71 9.834 -2.150 -1.840 1.00 0.00 H new ATOM 0 HB THR A 71 8.403 -3.633 -3.097 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.426 -2.263 -4.616 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.594 -3.065 -5.364 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.826 -2.078 -4.097 1.00 0.00 H new ATOM 0 HG23 THR A 71 8.116 -1.383 -5.108 1.00 0.00 H new ATOM 771 N GLY A 72 9.527 0.653 -2.460 1.00 0.00 N ATOM 772 CA GLY A 72 10.044 1.911 -2.961 1.00 0.00 C ATOM 773 C GLY A 72 9.602 3.096 -2.125 1.00 0.00 C ATOM 774 O GLY A 72 8.580 3.037 -1.443 1.00 0.00 O ATOM 0 H GLY A 72 9.051 0.714 -1.560 1.00 0.00 H new ATOM 0 HA2 GLY A 72 11.133 1.870 -2.980 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.712 2.052 -3.990 1.00 0.00 H new ATOM 778 N VAL A 73 10.375 4.177 -2.180 1.00 0.00 N ATOM 779 CA VAL A 73 10.059 5.381 -1.422 1.00 0.00 C ATOM 780 C VAL A 73 10.722 6.608 -2.042 1.00 0.00 C ATOM 781 O VAL A 73 11.945 6.674 -2.156 1.00 0.00 O ATOM 782 CB VAL A 73 10.504 5.252 0.048 1.00 0.00 C ATOM 783 CG1 VAL A 73 12.011 5.073 0.141 1.00 0.00 C ATOM 784 CG2 VAL A 73 10.052 6.461 0.854 1.00 0.00 C ATOM 0 H VAL A 73 11.224 4.243 -2.742 1.00 0.00 H new ATOM 0 HA VAL A 73 8.976 5.503 -1.454 1.00 0.00 H new ATOM 0 HB VAL A 73 10.031 4.366 0.471 1.00 0.00 H new ATOM 0 HG11 VAL A 73 12.303 4.984 1.187 1.00 0.00 H new ATOM 0 HG12 VAL A 73 12.304 4.171 -0.395 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.508 5.936 -0.302 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.376 6.350 1.889 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.491 7.365 0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.965 6.535 0.820 1.00 0.00 H new ATOM 794 N ASN A 74 9.904 7.579 -2.440 1.00 0.00 N ATOM 795 CA ASN A 74 10.409 8.804 -3.048 1.00 0.00 C ATOM 796 C ASN A 74 11.217 8.497 -4.306 1.00 0.00 C ATOM 797 O ASN A 74 12.149 9.224 -4.649 1.00 0.00 O ATOM 798 CB ASN A 74 11.275 9.574 -2.049 1.00 0.00 C ATOM 799 CG ASN A 74 11.243 11.070 -2.289 1.00 0.00 C ATOM 800 OD1 ASN A 74 12.036 11.603 -3.065 1.00 0.00 O ATOM 801 ND2 ASN A 74 10.322 11.757 -1.622 1.00 0.00 N ATOM 0 H ASN A 74 8.889 7.540 -2.352 1.00 0.00 H new ATOM 0 HA ASN A 74 9.554 9.419 -3.329 1.00 0.00 H new ATOM 0 HB2 ASN A 74 10.931 9.364 -1.036 1.00 0.00 H new ATOM 0 HB3 ASN A 74 12.304 9.220 -2.116 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.252 12.767 -1.743 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.685 11.274 -0.989 1.00 0.00 H new ATOM 808 N GLY A 75 10.852 7.417 -4.988 1.00 0.00 N ATOM 809 CA GLY A 75 11.554 7.034 -6.200 1.00 0.00 C ATOM 810 C GLY A 75 12.619 5.985 -5.947 1.00 0.00 C ATOM 811 O GLY A 75 12.899 5.153 -6.810 1.00 0.00 O ATOM 0 H GLY A 75 10.084 6.800 -4.724 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.837 6.651 -6.926 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.016 7.916 -6.643 1.00 0.00 H new ATOM 815 N ARG A 76 13.217 6.024 -4.761 1.00 0.00 N ATOM 816 CA ARG A 76 14.258 5.070 -4.397 1.00 0.00 C ATOM 817 C ARG A 76 13.700 3.652 -4.340 1.00 0.00 C ATOM 818 O ARG A 76 12.497 3.454 -4.164 1.00 0.00 O ATOM 819 CB ARG A 76 14.873 5.445 -3.046 1.00 0.00 C ATOM 820 CG ARG A 76 16.172 6.226 -3.164 1.00 0.00 C ATOM 821 CD ARG A 76 17.144 5.861 -2.054 1.00 0.00 C ATOM 822 NE ARG A 76 18.528 5.846 -2.521 1.00 0.00 N ATOM 823 CZ ARG A 76 19.579 5.680 -1.721 1.00 0.00 C ATOM 824 NH1 ARG A 76 19.408 5.518 -0.415 1.00 0.00 N ATOM 825 NH2 ARG A 76 20.804 5.678 -2.228 1.00 0.00 N ATOM 0 H ARG A 76 12.998 6.706 -4.035 1.00 0.00 H new ATOM 0 HA ARG A 76 15.033 5.105 -5.163 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.153 6.037 -2.480 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.057 4.535 -2.475 1.00 0.00 H new ATOM 0 HG2 ARG A 76 16.632 6.026 -4.132 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.960 7.295 -3.127 1.00 0.00 H new ATOM 0 HD2 ARG A 76 17.045 6.575 -1.236 1.00 0.00 H new ATOM 0 HD3 ARG A 76 16.886 4.880 -1.654 1.00 0.00 H new ATOM 0 HE ARG A 76 18.699 5.970 -3.519 1.00 0.00 H new ATOM 0 HH11 ARG A 76 18.468 5.520 -0.020 1.00 0.00 H new ATOM 0 HH12 ARG A 76 20.217 5.391 0.193 1.00 0.00 H new ATOM 0 HH21 ARG A 76 20.941 5.804 -3.231 1.00 0.00 H new ATOM 0 HH22 ARG A 76 21.609 5.551 -1.615 1.00 0.00 H new ATOM 839 N SER A 77 14.580 2.668 -4.491 1.00 0.00 N ATOM 840 CA SER A 77 14.176 1.267 -4.456 1.00 0.00 C ATOM 841 C SER A 77 14.632 0.601 -3.163 1.00 0.00 C ATOM 842 O SER A 77 15.818 0.609 -2.833 1.00 0.00 O ATOM 843 CB SER A 77 14.751 0.519 -5.659 1.00 0.00 C ATOM 844 OG SER A 77 14.537 -0.877 -5.543 1.00 0.00 O ATOM 0 H SER A 77 15.578 2.815 -4.639 1.00 0.00 H new ATOM 0 HA SER A 77 13.088 1.228 -4.499 1.00 0.00 H new ATOM 0 HB2 SER A 77 14.287 0.886 -6.575 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.819 0.721 -5.740 1.00 0.00 H new ATOM 0 HG SER A 77 14.913 -1.332 -6.326 1.00 0.00 H new ATOM 850 N ILE A 78 13.682 0.026 -2.433 1.00 0.00 N ATOM 851 CA ILE A 78 13.987 -0.644 -1.175 1.00 0.00 C ATOM 852 C ILE A 78 13.949 -2.164 -1.328 1.00 0.00 C ATOM 853 O ILE A 78 13.863 -2.893 -0.341 1.00 0.00 O ATOM 854 CB ILE A 78 12.998 -0.230 -0.066 1.00 0.00 C ATOM 855 CG1 ILE A 78 11.583 -0.707 -0.407 1.00 0.00 C ATOM 856 CG2 ILE A 78 13.024 1.277 0.129 1.00 0.00 C ATOM 857 CD1 ILE A 78 11.177 -1.967 0.323 1.00 0.00 C ATOM 0 H ILE A 78 12.695 0.011 -2.691 1.00 0.00 H new ATOM 0 HA ILE A 78 14.994 -0.337 -0.894 1.00 0.00 H new ATOM 0 HB ILE A 78 13.303 -0.703 0.868 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.874 0.086 -0.168 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.516 -0.882 -1.481 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.321 1.554 0.915 1.00 0.00 H new ATOM 0 HG22 ILE A 78 14.029 1.590 0.414 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.741 1.769 -0.801 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.164 -2.245 0.032 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.863 -2.774 0.065 1.00 0.00 H new ATOM 0 HD13 ILE A 78 11.211 -1.791 1.398 1.00 0.00 H new ATOM 869 N LYS A 79 14.012 -2.636 -2.570 1.00 0.00 N ATOM 870 CA LYS A 79 13.979 -4.068 -2.840 1.00 0.00 C ATOM 871 C LYS A 79 15.202 -4.761 -2.247 1.00 0.00 C ATOM 872 O LYS A 79 16.186 -5.009 -2.943 1.00 0.00 O ATOM 873 CB LYS A 79 13.913 -4.320 -4.348 1.00 0.00 C ATOM 874 CG LYS A 79 12.517 -4.651 -4.849 1.00 0.00 C ATOM 875 CD LYS A 79 12.558 -5.651 -5.992 1.00 0.00 C ATOM 876 CE LYS A 79 11.183 -6.237 -6.270 1.00 0.00 C ATOM 877 NZ LYS A 79 11.258 -7.675 -6.649 1.00 0.00 N ATOM 0 H LYS A 79 14.086 -2.050 -3.401 1.00 0.00 H new ATOM 0 HA LYS A 79 13.087 -4.483 -2.370 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.278 -3.437 -4.872 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.585 -5.140 -4.601 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.922 -5.057 -4.031 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.022 -3.738 -5.181 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.935 -5.163 -6.891 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.254 -6.454 -5.750 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.556 -6.127 -5.385 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.704 -5.675 -7.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.300 -8.037 -6.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.835 -7.778 -7.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.691 -8.216 -5.874 1.00 0.00 H new ATOM 891 N GLY A 80 15.131 -5.071 -0.957 1.00 0.00 N ATOM 892 CA GLY A 80 16.238 -5.734 -0.291 1.00 0.00 C ATOM 893 C GLY A 80 16.581 -5.095 1.041 1.00 0.00 C ATOM 894 O GLY A 80 17.094 -5.759 1.941 1.00 0.00 O ATOM 0 H GLY A 80 14.327 -4.875 -0.360 1.00 0.00 H new ATOM 0 HA2 GLY A 80 15.987 -6.783 -0.133 1.00 0.00 H new ATOM 0 HA3 GLY A 80 17.115 -5.710 -0.938 1.00 0.00 H new ATOM 898 N LYS A 81 16.299 -3.802 1.164 1.00 0.00 N ATOM 899 CA LYS A 81 16.582 -3.073 2.396 1.00 0.00 C ATOM 900 C LYS A 81 15.839 -3.688 3.578 1.00 0.00 C ATOM 901 O LYS A 81 14.749 -4.238 3.421 1.00 0.00 O ATOM 902 CB LYS A 81 16.189 -1.603 2.242 1.00 0.00 C ATOM 903 CG LYS A 81 17.197 -0.783 1.452 1.00 0.00 C ATOM 904 CD LYS A 81 17.837 0.297 2.310 1.00 0.00 C ATOM 905 CE LYS A 81 18.066 1.574 1.518 1.00 0.00 C ATOM 906 NZ LYS A 81 18.962 2.522 2.239 1.00 0.00 N ATOM 0 H LYS A 81 15.875 -3.238 0.427 1.00 0.00 H new ATOM 0 HA LYS A 81 17.652 -3.140 2.590 1.00 0.00 H new ATOM 0 HB2 LYS A 81 15.219 -1.545 1.748 1.00 0.00 H new ATOM 0 HB3 LYS A 81 16.070 -1.162 3.232 1.00 0.00 H new ATOM 0 HG2 LYS A 81 17.971 -1.440 1.057 1.00 0.00 H new ATOM 0 HG3 LYS A 81 16.702 -0.323 0.597 1.00 0.00 H new ATOM 0 HD2 LYS A 81 17.198 0.509 3.167 1.00 0.00 H new ATOM 0 HD3 LYS A 81 18.787 -0.064 2.703 1.00 0.00 H new ATOM 0 HE2 LYS A 81 18.502 1.327 0.550 1.00 0.00 H new ATOM 0 HE3 LYS A 81 17.108 2.057 1.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 19.093 3.380 1.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 18.534 2.778 3.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 19.885 2.071 2.403 1.00 0.00 H new ATOM 920 N THR A 82 16.436 -3.592 4.761 1.00 0.00 N ATOM 921 CA THR A 82 15.831 -4.138 5.970 1.00 0.00 C ATOM 922 C THR A 82 14.823 -3.159 6.562 1.00 0.00 C ATOM 923 O THR A 82 14.748 -2.003 6.144 1.00 0.00 O ATOM 924 CB THR A 82 16.911 -4.466 7.004 1.00 0.00 C ATOM 925 OG1 THR A 82 18.185 -4.548 6.390 1.00 0.00 O ATOM 926 CG2 THR A 82 16.667 -5.771 7.732 1.00 0.00 C ATOM 0 H THR A 82 17.339 -3.141 4.908 1.00 0.00 H new ATOM 0 HA THR A 82 15.306 -5.055 5.702 1.00 0.00 H new ATOM 0 HB THR A 82 16.873 -3.652 7.728 1.00 0.00 H new ATOM 0 HG1 THR A 82 18.862 -4.757 7.067 1.00 0.00 H new ATOM 0 HG21 THR A 82 17.469 -5.943 8.450 1.00 0.00 H new ATOM 0 HG22 THR A 82 15.714 -5.721 8.258 1.00 0.00 H new ATOM 0 HG23 THR A 82 16.642 -6.590 7.013 1.00 0.00 H new ATOM 934 N LYS A 83 14.051 -3.626 7.537 1.00 0.00 N ATOM 935 CA LYS A 83 13.047 -2.790 8.185 1.00 0.00 C ATOM 936 C LYS A 83 13.680 -1.539 8.784 1.00 0.00 C ATOM 937 O LYS A 83 13.122 -0.445 8.696 1.00 0.00 O ATOM 938 CB LYS A 83 12.321 -3.580 9.276 1.00 0.00 C ATOM 939 CG LYS A 83 13.254 -4.210 10.295 1.00 0.00 C ATOM 940 CD LYS A 83 12.483 -4.805 11.462 1.00 0.00 C ATOM 941 CE LYS A 83 13.416 -5.231 12.585 1.00 0.00 C ATOM 942 NZ LYS A 83 13.902 -6.626 12.403 1.00 0.00 N ATOM 0 H LYS A 83 14.101 -4.579 7.896 1.00 0.00 H new ATOM 0 HA LYS A 83 12.326 -2.482 7.427 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.628 -2.916 9.793 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.724 -4.364 8.809 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.847 -4.988 9.815 1.00 0.00 H new ATOM 0 HG3 LYS A 83 13.952 -3.459 10.664 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.768 -4.073 11.839 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.908 -5.665 11.119 1.00 0.00 H new ATOM 0 HE2 LYS A 83 14.268 -4.552 12.627 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.896 -5.149 13.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.568 -7.216 13.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.537 -7.007 11.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 14.942 -6.632 12.383 1.00 0.00 H new ATOM 956 N VAL A 84 14.850 -1.706 9.394 1.00 0.00 N ATOM 957 CA VAL A 84 15.558 -0.589 10.007 1.00 0.00 C ATOM 958 C VAL A 84 16.077 0.381 8.951 1.00 0.00 C ATOM 959 O VAL A 84 16.014 1.597 9.126 1.00 0.00 O ATOM 960 CB VAL A 84 16.740 -1.075 10.867 1.00 0.00 C ATOM 961 CG1 VAL A 84 16.242 -1.911 12.036 1.00 0.00 C ATOM 962 CG2 VAL A 84 17.730 -1.863 10.023 1.00 0.00 C ATOM 0 H VAL A 84 15.327 -2.604 9.476 1.00 0.00 H new ATOM 0 HA VAL A 84 14.841 -0.075 10.647 1.00 0.00 H new ATOM 0 HB VAL A 84 17.255 -0.202 11.267 1.00 0.00 H new ATOM 0 HG11 VAL A 84 17.091 -2.245 12.632 1.00 0.00 H new ATOM 0 HG12 VAL A 84 15.578 -1.310 12.656 1.00 0.00 H new ATOM 0 HG13 VAL A 84 15.700 -2.778 11.658 1.00 0.00 H new ATOM 0 HG21 VAL A 84 18.557 -2.197 10.649 1.00 0.00 H new ATOM 0 HG22 VAL A 84 17.230 -2.729 9.590 1.00 0.00 H new ATOM 0 HG23 VAL A 84 18.113 -1.228 9.224 1.00 0.00 H new ATOM 972 N GLU A 85 16.590 -0.166 7.854 1.00 0.00 N ATOM 973 CA GLU A 85 17.122 0.652 6.768 1.00 0.00 C ATOM 974 C GLU A 85 16.013 1.461 6.101 1.00 0.00 C ATOM 975 O GLU A 85 16.047 2.692 6.096 1.00 0.00 O ATOM 976 CB GLU A 85 17.820 -0.231 5.732 1.00 0.00 C ATOM 977 CG GLU A 85 19.017 -0.986 6.283 1.00 0.00 C ATOM 978 CD GLU A 85 20.270 -0.133 6.333 1.00 0.00 C ATOM 979 OE1 GLU A 85 20.142 1.106 6.427 1.00 0.00 O ATOM 980 OE2 GLU A 85 21.379 -0.703 6.278 1.00 0.00 O ATOM 0 H GLU A 85 16.649 -1.171 7.693 1.00 0.00 H new ATOM 0 HA GLU A 85 17.848 1.346 7.191 1.00 0.00 H new ATOM 0 HB2 GLU A 85 17.101 -0.947 5.334 1.00 0.00 H new ATOM 0 HB3 GLU A 85 18.146 0.390 4.898 1.00 0.00 H new ATOM 0 HG2 GLU A 85 18.786 -1.345 7.286 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.204 -1.864 5.665 1.00 0.00 H new ATOM 987 N VAL A 86 15.033 0.762 5.539 1.00 0.00 N ATOM 988 CA VAL A 86 13.915 1.415 4.869 1.00 0.00 C ATOM 989 C VAL A 86 13.200 2.384 5.805 1.00 0.00 C ATOM 990 O VAL A 86 12.941 3.532 5.445 1.00 0.00 O ATOM 991 CB VAL A 86 12.900 0.385 4.336 1.00 0.00 C ATOM 992 CG1 VAL A 86 11.793 1.075 3.552 1.00 0.00 C ATOM 993 CG2 VAL A 86 13.599 -0.656 3.477 1.00 0.00 C ATOM 0 H VAL A 86 14.990 -0.257 5.534 1.00 0.00 H new ATOM 0 HA VAL A 86 14.331 1.971 4.029 1.00 0.00 H new ATOM 0 HB VAL A 86 12.446 -0.122 5.188 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.088 0.329 3.185 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.272 1.779 4.201 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.225 1.612 2.708 1.00 0.00 H new ATOM 0 HG21 VAL A 86 12.867 -1.375 3.109 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.082 -0.166 2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 86 14.350 -1.175 4.073 1.00 0.00 H new ATOM 1003 N ALA A 87 12.885 1.915 7.010 1.00 0.00 N ATOM 1004 CA ALA A 87 12.201 2.744 7.998 1.00 0.00 C ATOM 1005 C ALA A 87 12.925 4.071 8.202 1.00 0.00 C ATOM 1006 O ALA A 87 12.300 5.130 8.249 1.00 0.00 O ATOM 1007 CB ALA A 87 12.081 1.998 9.319 1.00 0.00 C ATOM 0 H ALA A 87 13.092 0.967 7.325 1.00 0.00 H new ATOM 0 HA ALA A 87 11.201 2.962 7.622 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.569 2.627 10.047 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.512 1.081 9.168 1.00 0.00 H new ATOM 0 HB3 ALA A 87 13.076 1.751 9.689 1.00 0.00 H new ATOM 1013 N LYS A 88 14.248 4.005 8.319 1.00 0.00 N ATOM 1014 CA LYS A 88 15.055 5.203 8.512 1.00 0.00 C ATOM 1015 C LYS A 88 14.938 6.133 7.310 1.00 0.00 C ATOM 1016 O LYS A 88 14.914 7.355 7.456 1.00 0.00 O ATOM 1017 CB LYS A 88 16.520 4.824 8.741 1.00 0.00 C ATOM 1018 CG LYS A 88 16.914 4.779 10.208 1.00 0.00 C ATOM 1019 CD LYS A 88 17.947 3.697 10.474 1.00 0.00 C ATOM 1020 CE LYS A 88 17.920 3.245 11.925 1.00 0.00 C ATOM 1021 NZ LYS A 88 19.234 2.696 12.360 1.00 0.00 N ATOM 0 H LYS A 88 14.782 3.137 8.284 1.00 0.00 H new ATOM 0 HA LYS A 88 14.682 5.727 9.392 1.00 0.00 H new ATOM 0 HB2 LYS A 88 16.709 3.849 8.293 1.00 0.00 H new ATOM 0 HB3 LYS A 88 17.157 5.541 8.224 1.00 0.00 H new ATOM 0 HG2 LYS A 88 17.314 5.747 10.508 1.00 0.00 H new ATOM 0 HG3 LYS A 88 16.029 4.597 10.818 1.00 0.00 H new ATOM 0 HD2 LYS A 88 17.758 2.844 9.823 1.00 0.00 H new ATOM 0 HD3 LYS A 88 18.940 4.072 10.227 1.00 0.00 H new ATOM 0 HE2 LYS A 88 17.649 4.087 12.562 1.00 0.00 H new ATOM 0 HE3 LYS A 88 17.149 2.486 12.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 19.174 2.399 13.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 19.481 1.877 11.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 19.966 3.428 12.261 1.00 0.00 H new ATOM 1035 N MET A 89 14.861 5.544 6.119 1.00 0.00 N ATOM 1036 CA MET A 89 14.744 6.318 4.890 1.00 0.00 C ATOM 1037 C MET A 89 13.461 7.144 4.890 1.00 0.00 C ATOM 1038 O MET A 89 13.444 8.283 4.421 1.00 0.00 O ATOM 1039 CB MET A 89 14.766 5.392 3.674 1.00 0.00 C ATOM 1040 CG MET A 89 15.336 6.042 2.424 1.00 0.00 C ATOM 1041 SD MET A 89 16.284 4.891 1.412 1.00 0.00 S ATOM 1042 CE MET A 89 15.008 4.267 0.322 1.00 0.00 C ATOM 0 H MET A 89 14.878 4.534 5.981 1.00 0.00 H new ATOM 0 HA MET A 89 15.595 6.997 4.835 1.00 0.00 H new ATOM 0 HB2 MET A 89 15.354 4.506 3.913 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.751 5.054 3.467 1.00 0.00 H new ATOM 0 HG2 MET A 89 14.521 6.455 1.830 1.00 0.00 H new ATOM 0 HG3 MET A 89 15.975 6.877 2.713 1.00 0.00 H new ATOM 0 HE1 MET A 89 15.433 3.515 -0.343 1.00 0.00 H new ATOM 0 HE2 MET A 89 14.211 3.819 0.915 1.00 0.00 H new ATOM 0 HE3 MET A 89 14.602 5.087 -0.270 1.00 0.00 H new ATOM 1052 N ILE A 90 12.387 6.564 5.419 1.00 0.00 N ATOM 1053 CA ILE A 90 11.101 7.248 5.478 1.00 0.00 C ATOM 1054 C ILE A 90 11.147 8.416 6.456 1.00 0.00 C ATOM 1055 O ILE A 90 10.855 9.555 6.093 1.00 0.00 O ATOM 1056 CB ILE A 90 9.970 6.289 5.895 1.00 0.00 C ATOM 1057 CG1 ILE A 90 10.032 4.998 5.075 1.00 0.00 C ATOM 1058 CG2 ILE A 90 8.615 6.962 5.729 1.00 0.00 C ATOM 1059 CD1 ILE A 90 10.005 5.230 3.580 1.00 0.00 C ATOM 0 H ILE A 90 12.383 5.623 5.812 1.00 0.00 H new ATOM 0 HA ILE A 90 10.896 7.622 4.475 1.00 0.00 H new ATOM 0 HB ILE A 90 10.103 6.035 6.947 1.00 0.00 H new ATOM 0 HG12 ILE A 90 10.941 4.456 5.334 1.00 0.00 H new ATOM 0 HG13 ILE A 90 9.192 4.361 5.351 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.827 6.271 6.028 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.573 7.854 6.355 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.474 7.244 4.686 1.00 0.00 H new ATOM 0 HD11 ILE A 90 10.052 4.272 3.062 1.00 0.00 H new ATOM 0 HD12 ILE A 90 9.083 5.745 3.308 1.00 0.00 H new ATOM 0 HD13 ILE A 90 10.860 5.841 3.291 1.00 0.00 H new ATOM 1071 N GLN A 91 11.516 8.126 7.700 1.00 0.00 N ATOM 1072 CA GLN A 91 11.600 9.152 8.734 1.00 0.00 C ATOM 1073 C GLN A 91 12.549 10.274 8.315 1.00 0.00 C ATOM 1074 O GLN A 91 12.391 11.420 8.734 1.00 0.00 O ATOM 1075 CB GLN A 91 12.072 8.538 10.053 1.00 0.00 C ATOM 1076 CG GLN A 91 11.107 7.514 10.626 1.00 0.00 C ATOM 1077 CD GLN A 91 11.612 6.893 11.914 1.00 0.00 C ATOM 1078 OE1 GLN A 91 10.690 6.425 12.747 1.00 0.00 O flip ATOM 1079 NE2 GLN A 91 12.818 6.832 12.155 1.00 0.00 N flip ATOM 0 H GLN A 91 11.762 7.188 8.017 1.00 0.00 H new ATOM 0 HA GLN A 91 10.605 9.575 8.872 1.00 0.00 H new ATOM 0 HB2 GLN A 91 13.041 8.064 9.898 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.220 9.334 10.783 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.144 7.991 10.810 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.938 6.728 9.890 1.00 0.00 H new ATOM 0 HE21 GLN A 91 13.491 7.205 11.486 1.00 0.00 H new ATOM 0 HE22 GLN A 91 13.144 6.409 13.024 1.00 0.00 H new ATOM 1088 N GLU A 92 13.531 9.934 7.487 1.00 0.00 N ATOM 1089 CA GLU A 92 14.502 10.914 7.013 1.00 0.00 C ATOM 1090 C GLU A 92 13.888 11.821 5.952 1.00 0.00 C ATOM 1091 O GLU A 92 13.927 13.046 6.069 1.00 0.00 O ATOM 1092 CB GLU A 92 15.734 10.206 6.444 1.00 0.00 C ATOM 1093 CG GLU A 92 16.603 9.551 7.505 1.00 0.00 C ATOM 1094 CD GLU A 92 17.920 10.273 7.709 1.00 0.00 C ATOM 1095 OE1 GLU A 92 17.891 11.471 8.062 1.00 0.00 O ATOM 1096 OE2 GLU A 92 18.980 9.642 7.516 1.00 0.00 O ATOM 0 H GLU A 92 13.676 8.989 7.131 1.00 0.00 H new ATOM 0 HA GLU A 92 14.803 11.530 7.861 1.00 0.00 H new ATOM 0 HB2 GLU A 92 15.410 9.447 5.732 1.00 0.00 H new ATOM 0 HB3 GLU A 92 16.334 10.928 5.890 1.00 0.00 H new ATOM 0 HG2 GLU A 92 16.058 9.523 8.449 1.00 0.00 H new ATOM 0 HG3 GLU A 92 16.800 8.517 7.220 1.00 0.00 H new ATOM 1103 N VAL A 93 13.320 11.211 4.916 1.00 0.00 N ATOM 1104 CA VAL A 93 12.697 11.963 3.834 1.00 0.00 C ATOM 1105 C VAL A 93 11.535 12.807 4.350 1.00 0.00 C ATOM 1106 O VAL A 93 10.739 12.351 5.170 1.00 0.00 O ATOM 1107 CB VAL A 93 12.188 11.026 2.721 1.00 0.00 C ATOM 1108 CG1 VAL A 93 11.117 10.087 3.257 1.00 0.00 C ATOM 1109 CG2 VAL A 93 11.662 11.828 1.539 1.00 0.00 C ATOM 0 H VAL A 93 13.279 10.198 4.804 1.00 0.00 H new ATOM 0 HA VAL A 93 13.462 12.620 3.421 1.00 0.00 H new ATOM 0 HB VAL A 93 13.026 10.422 2.374 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.771 9.434 2.456 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.533 9.483 4.063 1.00 0.00 H new ATOM 0 HG13 VAL A 93 10.278 10.671 3.637 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.308 11.146 0.766 1.00 0.00 H new ATOM 0 HG22 VAL A 93 10.839 12.463 1.867 1.00 0.00 H new ATOM 0 HG23 VAL A 93 12.462 12.450 1.136 1.00 0.00 H new ATOM 1119 N LYS A 94 11.443 14.040 3.862 1.00 0.00 N ATOM 1120 CA LYS A 94 10.379 14.948 4.272 1.00 0.00 C ATOM 1121 C LYS A 94 9.584 15.433 3.065 1.00 0.00 C ATOM 1122 O LYS A 94 10.045 15.345 1.927 1.00 0.00 O ATOM 1123 CB LYS A 94 10.962 16.144 5.027 1.00 0.00 C ATOM 1124 CG LYS A 94 11.457 15.801 6.423 1.00 0.00 C ATOM 1125 CD LYS A 94 10.397 16.086 7.475 1.00 0.00 C ATOM 1126 CE LYS A 94 10.664 17.399 8.194 1.00 0.00 C ATOM 1127 NZ LYS A 94 10.061 18.557 7.477 1.00 0.00 N ATOM 0 H LYS A 94 12.093 14.433 3.182 1.00 0.00 H new ATOM 0 HA LYS A 94 9.706 14.403 4.934 1.00 0.00 H new ATOM 0 HB2 LYS A 94 11.788 16.560 4.450 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.202 16.922 5.101 1.00 0.00 H new ATOM 0 HG2 LYS A 94 11.737 14.748 6.463 1.00 0.00 H new ATOM 0 HG3 LYS A 94 12.355 16.378 6.644 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.415 16.122 7.003 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.373 15.272 8.199 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.260 17.348 9.205 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.739 17.550 8.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.265 19.433 7.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.465 18.622 6.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.031 18.426 7.410 1.00 0.00 H new ATOM 1141 N GLY A 95 8.384 15.946 3.319 1.00 0.00 N ATOM 1142 CA GLY A 95 7.542 16.436 2.244 1.00 0.00 C ATOM 1143 C GLY A 95 6.725 15.334 1.599 1.00 0.00 C ATOM 1144 O GLY A 95 6.580 14.249 2.162 1.00 0.00 O ATOM 0 H GLY A 95 7.980 16.031 4.252 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.871 17.202 2.633 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.165 16.913 1.487 1.00 0.00 H new ATOM 1148 N GLU A 96 6.190 15.611 0.415 1.00 0.00 N ATOM 1149 CA GLU A 96 5.383 14.634 -0.306 1.00 0.00 C ATOM 1150 C GLU A 96 6.219 13.422 -0.700 1.00 0.00 C ATOM 1151 O GLU A 96 6.995 13.473 -1.655 1.00 0.00 O ATOM 1152 CB GLU A 96 4.767 15.270 -1.554 1.00 0.00 C ATOM 1153 CG GLU A 96 5.785 15.945 -2.459 1.00 0.00 C ATOM 1154 CD GLU A 96 5.694 17.458 -2.415 1.00 0.00 C ATOM 1155 OE1 GLU A 96 4.580 17.979 -2.208 1.00 0.00 O ATOM 1156 OE2 GLU A 96 6.739 18.120 -2.586 1.00 0.00 O ATOM 0 H GLU A 96 6.301 16.504 -0.066 1.00 0.00 H new ATOM 0 HA GLU A 96 4.584 14.302 0.356 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.242 14.502 -2.122 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.022 16.005 -1.247 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.788 15.637 -2.164 1.00 0.00 H new ATOM 0 HG3 GLU A 96 5.635 15.606 -3.484 1.00 0.00 H new ATOM 1163 N VAL A 97 6.056 12.332 0.042 1.00 0.00 N ATOM 1164 CA VAL A 97 6.796 11.105 -0.228 1.00 0.00 C ATOM 1165 C VAL A 97 5.984 10.157 -1.104 1.00 0.00 C ATOM 1166 O VAL A 97 4.765 10.057 -0.962 1.00 0.00 O ATOM 1167 CB VAL A 97 7.179 10.379 1.076 1.00 0.00 C ATOM 1168 CG1 VAL A 97 8.175 11.206 1.873 1.00 0.00 C ATOM 1169 CG2 VAL A 97 5.939 10.079 1.903 1.00 0.00 C ATOM 0 H VAL A 97 5.418 12.273 0.835 1.00 0.00 H new ATOM 0 HA VAL A 97 7.706 11.394 -0.754 1.00 0.00 H new ATOM 0 HB VAL A 97 7.653 9.432 0.819 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.434 10.678 2.791 1.00 0.00 H new ATOM 0 HG12 VAL A 97 9.075 11.364 1.279 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.731 12.170 2.122 1.00 0.00 H new ATOM 0 HG21 VAL A 97 6.229 9.566 2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 97 5.434 11.012 2.153 1.00 0.00 H new ATOM 0 HG23 VAL A 97 5.264 9.443 1.330 1.00 0.00 H new ATOM 1179 N THR A 98 6.665 9.465 -2.011 1.00 0.00 N ATOM 1180 CA THR A 98 6.007 8.526 -2.911 1.00 0.00 C ATOM 1181 C THR A 98 6.414 7.090 -2.598 1.00 0.00 C ATOM 1182 O THR A 98 7.499 6.646 -2.975 1.00 0.00 O ATOM 1183 CB THR A 98 6.347 8.858 -4.364 1.00 0.00 C ATOM 1184 OG1 THR A 98 6.645 10.236 -4.507 1.00 0.00 O ATOM 1185 CG2 THR A 98 5.231 8.529 -5.332 1.00 0.00 C ATOM 0 H THR A 98 7.674 9.537 -2.142 1.00 0.00 H new ATOM 0 HA THR A 98 4.931 8.618 -2.765 1.00 0.00 H new ATOM 0 HB THR A 98 7.210 8.238 -4.606 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.862 10.428 -5.443 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.539 8.790 -6.345 1.00 0.00 H new ATOM 0 HG22 THR A 98 5.009 7.463 -5.283 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.340 9.097 -5.066 1.00 0.00 H new ATOM 1193 N ILE A 99 5.538 6.368 -1.907 1.00 0.00 N ATOM 1194 CA ILE A 99 5.806 4.981 -1.546 1.00 0.00 C ATOM 1195 C ILE A 99 5.290 4.028 -2.619 1.00 0.00 C ATOM 1196 O ILE A 99 4.110 4.052 -2.970 1.00 0.00 O ATOM 1197 CB ILE A 99 5.167 4.617 -0.191 1.00 0.00 C ATOM 1198 CG1 ILE A 99 5.656 5.569 0.901 1.00 0.00 C ATOM 1199 CG2 ILE A 99 5.482 3.174 0.180 1.00 0.00 C ATOM 1200 CD1 ILE A 99 4.909 6.883 0.939 1.00 0.00 C ATOM 0 H ILE A 99 4.636 6.721 -1.586 1.00 0.00 H new ATOM 0 HA ILE A 99 6.888 4.877 -1.463 1.00 0.00 H new ATOM 0 HB ILE A 99 4.086 4.719 -0.282 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.559 5.078 1.869 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.717 5.768 0.749 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.022 2.936 1.139 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.088 2.507 -0.587 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.562 3.045 0.253 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.310 7.507 1.738 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.026 7.396 -0.016 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.851 6.695 1.122 1.00 0.00 H new ATOM 1212 N HIS A 100 6.182 3.191 -3.136 1.00 0.00 N ATOM 1213 CA HIS A 100 5.819 2.228 -4.170 1.00 0.00 C ATOM 1214 C HIS A 100 5.286 0.940 -3.550 1.00 0.00 C ATOM 1215 O HIS A 100 6.040 0.160 -2.969 1.00 0.00 O ATOM 1216 CB HIS A 100 7.027 1.919 -5.055 1.00 0.00 C ATOM 1217 CG HIS A 100 7.552 3.114 -5.791 1.00 0.00 C ATOM 1218 ND1 HIS A 100 7.309 3.340 -7.129 1.00 0.00 N ATOM 1219 CD2 HIS A 100 8.313 4.152 -5.368 1.00 0.00 C ATOM 1220 CE1 HIS A 100 7.896 4.464 -7.497 1.00 0.00 C ATOM 1221 NE2 HIS A 100 8.512 4.976 -6.448 1.00 0.00 N ATOM 0 H HIS A 100 7.162 3.159 -2.856 1.00 0.00 H new ATOM 0 HA HIS A 100 5.032 2.669 -4.782 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.823 1.505 -4.437 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.751 1.150 -5.777 1.00 0.00 H new ATOM 0 HD1 HIS A 100 6.761 2.734 -7.739 1.00 0.00 H new ATOM 0 HD2 HIS A 100 8.692 4.303 -4.368 1.00 0.00 H new ATOM 0 HE1 HIS A 100 7.876 4.892 -8.488 1.00 0.00 H new ATOM 1230 N TYR A 101 3.981 0.726 -3.675 1.00 0.00 N ATOM 1231 CA TYR A 101 3.346 -0.467 -3.126 1.00 0.00 C ATOM 1232 C TYR A 101 2.745 -1.325 -4.236 1.00 0.00 C ATOM 1233 O TYR A 101 2.290 -0.809 -5.256 1.00 0.00 O ATOM 1234 CB TYR A 101 2.260 -0.076 -2.123 1.00 0.00 C ATOM 1235 CG TYR A 101 1.108 0.686 -2.740 1.00 0.00 C ATOM 1236 CD1 TYR A 101 1.251 2.017 -3.111 1.00 0.00 C ATOM 1237 CD2 TYR A 101 -0.121 0.073 -2.952 1.00 0.00 C ATOM 1238 CE1 TYR A 101 0.201 2.717 -3.675 1.00 0.00 C ATOM 1239 CE2 TYR A 101 -1.176 0.766 -3.516 1.00 0.00 C ATOM 1240 CZ TYR A 101 -1.010 2.088 -3.874 1.00 0.00 C ATOM 1241 OH TYR A 101 -2.057 2.781 -4.436 1.00 0.00 O ATOM 0 H TYR A 101 3.342 1.363 -4.151 1.00 0.00 H new ATOM 0 HA TYR A 101 4.110 -1.052 -2.614 1.00 0.00 H new ATOM 0 HB2 TYR A 101 1.874 -0.978 -1.648 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.706 0.532 -1.336 1.00 0.00 H new ATOM 0 HD1 TYR A 101 2.198 2.513 -2.956 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -0.254 -0.961 -2.672 1.00 0.00 H new ATOM 0 HE1 TYR A 101 0.328 3.751 -3.958 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.125 0.275 -3.675 1.00 0.00 H new ATOM 0 HH TYR A 101 -2.838 2.193 -4.508 1.00 0.00 H new ATOM 1251 N ASN A 102 2.746 -2.638 -4.027 1.00 0.00 N ATOM 1252 CA ASN A 102 2.201 -3.570 -5.006 1.00 0.00 C ATOM 1253 C ASN A 102 0.986 -4.298 -4.441 1.00 0.00 C ATOM 1254 O ASN A 102 1.072 -4.957 -3.403 1.00 0.00 O ATOM 1255 CB ASN A 102 3.267 -4.584 -5.425 1.00 0.00 C ATOM 1256 CG ASN A 102 4.113 -4.090 -6.581 1.00 0.00 C ATOM 1257 OD1 ASN A 102 4.246 -4.765 -7.603 1.00 0.00 O ATOM 1258 ND2 ASN A 102 4.691 -2.904 -6.428 1.00 0.00 N ATOM 0 H ASN A 102 3.119 -3.080 -3.187 1.00 0.00 H new ATOM 0 HA ASN A 102 1.889 -3.000 -5.881 1.00 0.00 H new ATOM 0 HB2 ASN A 102 3.912 -4.802 -4.574 1.00 0.00 H new ATOM 0 HB3 ASN A 102 2.784 -5.520 -5.706 1.00 0.00 H new ATOM 0 HD21 ASN A 102 5.271 -2.519 -7.174 1.00 0.00 H new ATOM 0 HD22 ASN A 102 4.555 -2.378 -5.565 1.00 0.00 H new ATOM 1265 N LYS A 103 -0.146 -4.175 -5.126 1.00 0.00 N ATOM 1266 CA LYS A 103 -1.376 -4.823 -4.687 1.00 0.00 C ATOM 1267 C LYS A 103 -1.402 -6.286 -5.120 1.00 0.00 C ATOM 1268 O LYS A 103 -1.245 -6.596 -6.302 1.00 0.00 O ATOM 1269 CB LYS A 103 -2.598 -4.090 -5.244 1.00 0.00 C ATOM 1270 CG LYS A 103 -2.456 -2.576 -5.242 1.00 0.00 C ATOM 1271 CD LYS A 103 -3.737 -1.897 -5.701 1.00 0.00 C ATOM 1272 CE LYS A 103 -3.648 -1.464 -7.155 1.00 0.00 C ATOM 1273 NZ LYS A 103 -4.319 -0.155 -7.388 1.00 0.00 N ATOM 0 H LYS A 103 -0.237 -3.634 -5.986 1.00 0.00 H new ATOM 0 HA LYS A 103 -1.408 -4.783 -3.598 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -2.779 -4.428 -6.264 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -3.474 -4.365 -4.657 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -2.201 -2.234 -4.239 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -1.634 -2.285 -5.896 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -4.577 -2.580 -5.574 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -3.935 -1.028 -5.073 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -2.601 -1.392 -7.449 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -4.105 -2.224 -7.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -4.236 0.104 -8.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -5.324 -0.230 -7.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -3.866 0.576 -6.803 1.00 0.00 H new ATOM 1287 N LEU A 104 -1.602 -7.176 -4.156 1.00 0.00 N ATOM 1288 CA LEU A 104 -1.649 -8.607 -4.431 1.00 0.00 C ATOM 1289 C LEU A 104 -3.087 -9.118 -4.422 1.00 0.00 C ATOM 1290 O LEU A 104 -3.661 -9.404 -5.473 1.00 0.00 O ATOM 1291 CB LEU A 104 -0.821 -9.374 -3.397 1.00 0.00 C ATOM 1292 CG LEU A 104 0.670 -9.487 -3.714 1.00 0.00 C ATOM 1293 CD1 LEU A 104 1.272 -8.111 -3.957 1.00 0.00 C ATOM 1294 CD2 LEU A 104 1.402 -10.199 -2.585 1.00 0.00 C ATOM 0 H LEU A 104 -1.735 -6.932 -3.175 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.228 -8.773 -5.423 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.935 -8.886 -2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.233 -10.378 -3.298 1.00 0.00 H new ATOM 0 HG LEU A 104 0.784 -10.076 -4.624 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.334 -8.213 -4.181 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.767 -7.637 -4.799 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.147 -7.496 -3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.462 -10.271 -2.827 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.278 -9.637 -1.660 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.990 -11.200 -2.459 1.00 0.00 H new TER 1306 LEU A 104 ATOM 1307 N GLU B 121 8.512 -8.565 13.970 1.00 0.00 N ATOM 1308 CA GLU B 121 9.272 -7.351 14.247 1.00 0.00 C ATOM 1309 C GLU B 121 9.024 -6.296 13.174 1.00 0.00 C ATOM 1310 O GLU B 121 9.792 -6.172 12.219 1.00 0.00 O ATOM 1311 CB GLU B 121 10.768 -7.670 14.337 1.00 0.00 C ATOM 1312 CG GLU B 121 11.435 -7.105 15.580 1.00 0.00 C ATOM 1313 CD GLU B 121 11.221 -7.974 16.804 1.00 0.00 C ATOM 1314 OE1 GLU B 121 11.821 -9.067 16.867 1.00 0.00 O ATOM 1315 OE2 GLU B 121 10.453 -7.560 17.698 1.00 0.00 O ATOM 0 HA GLU B 121 8.936 -6.951 15.204 1.00 0.00 H new ATOM 0 HB2 GLU B 121 10.902 -8.752 14.322 1.00 0.00 H new ATOM 0 HB3 GLU B 121 11.269 -7.274 13.454 1.00 0.00 H new ATOM 0 HG2 GLU B 121 12.504 -6.999 15.397 1.00 0.00 H new ATOM 0 HG3 GLU B 121 11.044 -6.106 15.775 1.00 0.00 H new ATOM 1322 N SER B 122 7.944 -5.538 13.337 1.00 0.00 N ATOM 1323 CA SER B 122 7.592 -4.493 12.383 1.00 0.00 C ATOM 1324 C SER B 122 7.990 -3.118 12.909 1.00 0.00 C ATOM 1325 O SER B 122 8.088 -2.910 14.117 1.00 0.00 O ATOM 1326 CB SER B 122 6.091 -4.525 12.088 1.00 0.00 C ATOM 1327 OG SER B 122 5.368 -5.048 13.189 1.00 0.00 O ATOM 0 H SER B 122 7.298 -5.628 14.121 1.00 0.00 H new ATOM 0 HA SER B 122 8.140 -4.681 11.460 1.00 0.00 H new ATOM 0 HB2 SER B 122 5.739 -3.518 11.863 1.00 0.00 H new ATOM 0 HB3 SER B 122 5.904 -5.133 11.203 1.00 0.00 H new ATOM 0 HG SER B 122 4.411 -5.057 12.977 1.00 0.00 H new ATOM 1333 N VAL B 123 8.218 -2.183 11.992 1.00 0.00 N ATOM 1334 CA VAL B 123 8.606 -0.828 12.362 1.00 0.00 C ATOM 1335 C VAL B 123 7.537 0.180 11.952 1.00 0.00 C ATOM 1336 O VAL B 123 7.101 0.203 10.802 1.00 0.00 O ATOM 1337 CB VAL B 123 9.946 -0.430 11.716 1.00 0.00 C ATOM 1338 CG1 VAL B 123 10.415 0.920 12.239 1.00 0.00 C ATOM 1339 CG2 VAL B 123 10.998 -1.500 11.965 1.00 0.00 C ATOM 0 H VAL B 123 8.141 -2.340 10.987 1.00 0.00 H new ATOM 0 HA VAL B 123 8.717 -0.816 13.446 1.00 0.00 H new ATOM 0 HB VAL B 123 9.796 -0.343 10.640 1.00 0.00 H new ATOM 0 HG11 VAL B 123 11.363 1.182 11.770 1.00 0.00 H new ATOM 0 HG12 VAL B 123 9.671 1.680 12.003 1.00 0.00 H new ATOM 0 HG13 VAL B 123 10.548 0.866 13.320 1.00 0.00 H new ATOM 0 HG21 VAL B 123 11.938 -1.201 11.501 1.00 0.00 H new ATOM 0 HG22 VAL B 123 11.146 -1.622 13.038 1.00 0.00 H new ATOM 0 HG23 VAL B 123 10.665 -2.445 11.535 1.00 0.00 H new ATOM 1349 N LYS B 124 7.121 1.013 12.902 1.00 0.00 N ATOM 1350 CA LYS B 124 6.103 2.024 12.638 1.00 0.00 C ATOM 1351 C LYS B 124 6.745 3.348 12.239 1.00 0.00 C ATOM 1352 O LYS B 124 7.593 3.880 12.955 1.00 0.00 O ATOM 1353 CB LYS B 124 5.220 2.223 13.872 1.00 0.00 C ATOM 1354 CG LYS B 124 3.854 2.809 13.553 1.00 0.00 C ATOM 1355 CD LYS B 124 3.886 4.329 13.558 1.00 0.00 C ATOM 1356 CE LYS B 124 3.769 4.886 14.969 1.00 0.00 C ATOM 1357 NZ LYS B 124 2.431 5.486 15.221 1.00 0.00 N ATOM 0 H LYS B 124 7.473 1.008 13.859 1.00 0.00 H new ATOM 0 HA LYS B 124 5.485 1.676 11.810 1.00 0.00 H new ATOM 0 HB2 LYS B 124 5.087 1.264 14.372 1.00 0.00 H new ATOM 0 HB3 LYS B 124 5.733 2.880 14.574 1.00 0.00 H new ATOM 0 HG2 LYS B 124 3.523 2.454 12.577 1.00 0.00 H new ATOM 0 HG3 LYS B 124 3.126 2.457 14.284 1.00 0.00 H new ATOM 0 HD2 LYS B 124 4.815 4.676 13.105 1.00 0.00 H new ATOM 0 HD3 LYS B 124 3.070 4.713 12.946 1.00 0.00 H new ATOM 0 HE2 LYS B 124 3.951 4.089 15.690 1.00 0.00 H new ATOM 0 HE3 LYS B 124 4.540 5.640 15.126 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 2.465 6.057 16.090 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 2.166 6.092 14.419 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 1.726 4.729 15.331 1.00 0.00 H new ATOM 1371 N ILE B 125 6.332 3.876 11.091 1.00 0.00 N ATOM 1372 CA ILE B 125 6.867 5.140 10.595 1.00 0.00 C ATOM 1373 C ILE B 125 5.777 5.973 9.930 1.00 0.00 C ATOM 1374 O ILE B 125 4.585 5.687 10.169 1.00 0.00 O ATOM 1375 CB ILE B 125 8.012 4.913 9.589 1.00 0.00 C ATOM 1376 CG1 ILE B 125 7.608 3.871 8.540 1.00 0.00 C ATOM 1377 CG2 ILE B 125 9.276 4.478 10.313 1.00 0.00 C ATOM 1378 CD1 ILE B 125 6.956 4.470 7.313 1.00 0.00 C ATOM 1379 OXT ILE B 125 6.125 6.906 9.176 1.00 0.00 O ATOM 0 H ILE B 125 5.629 3.449 10.487 1.00 0.00 H new ATOM 0 HA ILE B 125 7.257 5.678 11.459 1.00 0.00 H new ATOM 0 HB ILE B 125 8.213 5.854 9.078 1.00 0.00 H new ATOM 0 HG12 ILE B 125 8.493 3.312 8.235 1.00 0.00 H new ATOM 0 HG13 ILE B 125 6.921 3.157 8.995 1.00 0.00 H new ATOM 0 HG21 ILE B 125 10.075 4.322 9.588 1.00 0.00 H new ATOM 0 HG22 ILE B 125 9.574 5.251 11.021 1.00 0.00 H new ATOM 0 HG23 ILE B 125 9.086 3.548 10.850 1.00 0.00 H new ATOM 0 HD11 ILE B 125 6.697 3.675 6.614 1.00 0.00 H new ATOM 0 HD12 ILE B 125 6.052 5.005 7.606 1.00 0.00 H new ATOM 0 HD13 ILE B 125 7.649 5.162 6.834 1.00 0.00 H new TER 1391 ILE B 125