USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 700 hydrogens (8 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 NoAdj-H: B 203 SEP H2 : B 203 SEP N : B 202 ILE C :(H bumps) USER MOD NoAdj-H: B 203 SEP H : B 203 SEP N : B 202 ILE C :(H bumps) USER MOD NoAdj-H: B 205 SEP H2 : B 205 SEP N : B 204 ASP C :(H bumps) USER MOD NoAdj-H: B 205 SEP H : B 205 SEP N : B 204 ASP C :(H bumps) USER MOD Set 1.1: A 45 LYS NZ :NH3+ -149:sc= 1.23 (180deg=0.957) USER MOD Set 1.2: A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 29 GLN : amide:sc= -0.315 X(o=-0.31,f=-0.53) USER MOD Set 2.2: A 91 TYR OH : rot -23:sc= 0.00436 USER MOD Single : A 21 TYR OH : rot 69:sc= 1.23 USER MOD Single : A 23 LYS NZ :NH3+ -150:sc= 1.32 (180deg=0.912) USER MOD Single : A 25 LYS NZ :NH3+ -163:sc= 1.28 (180deg=0.991) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -141:sc= 1.23 USER MOD Single : A 35 HIS : no HD1:sc= -0.738 X(o=-0.74,f=-0.78) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -158:sc= 0.313 (180deg=-1.27!) USER MOD Single : A 40 MET CE :methyl 167:sc= -0.0638 (180deg=-0.399) USER MOD Single : A 41 THR OG1 : rot -125:sc= 0.23 USER MOD Single : A 42 THR OG1 : rot -74:sc= -1.48! USER MOD Single : A 43 HIS : no HE2:sc= -2.45 K(o=-2.4,f=-6.9!) USER MOD Single : A 46 LYS NZ :NH3+ 171:sc= 1.25 (180deg=0.997) USER MOD Single : A 48 LYS NZ :NH3+ 151:sc= 2.21 (180deg=1.91) USER MOD Single : A 50 SER OG : rot 76:sc= 1.07 USER MOD Single : A 51 TYR OH : rot 180:sc= -0.39 USER MOD Single : A 52 CYS SG : rot 61:sc= 0.921 USER MOD Single : A 53 GLN : amide:sc=-0.00436 K(o=-0.0044,f=-1) USER MOD Single : A 55 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.2) USER MOD Single : A 60 ASN : amide:sc= 0.249 X(o=0.25,f=-0.01) USER MOD Single : A 61 SER OG : rot -127:sc= 0.9 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 74 ASN : amide:sc= 0.0247 K(o=0.025,f=-1.1) USER MOD Single : A 75 HIS : no HD1:sc= 0.824 K(o=0.82,f=-4.1!) USER MOD Single : A 76 THR OG1 : rot -68:sc= 1.22 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -166:sc= 0 (180deg=-0.309) USER MOD Single : A 92 GLN : amide:sc= 0.0813 X(o=0.081,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0412 USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD Single : B 199 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 13.429 -6.435 -0.962 1.00 10.00 N ATOM 2 CA TYR A 21 12.028 -6.046 -0.999 1.00 10.00 C ATOM 3 C TYR A 21 11.348 -6.373 0.325 1.00 10.00 C ATOM 4 O TYR A 21 11.764 -7.288 1.038 1.00 10.00 O ATOM 5 CB TYR A 21 11.297 -6.762 -2.141 1.00 10.00 C ATOM 6 CG TYR A 21 11.596 -6.203 -3.515 1.00 10.00 C ATOM 7 CD1 TYR A 21 10.750 -5.274 -4.110 1.00 10.00 C ATOM 8 CD2 TYR A 21 12.715 -6.618 -4.223 1.00 10.00 C ATOM 9 CE1 TYR A 21 11.019 -4.768 -5.368 1.00 10.00 C ATOM 10 CE2 TYR A 21 12.990 -6.115 -5.480 1.00 10.00 C ATOM 11 CZ TYR A 21 12.138 -5.196 -6.049 1.00 10.00 C ATOM 12 OH TYR A 21 12.405 -4.705 -7.307 1.00 10.00 O ATOM 0 HA TYR A 21 11.982 -4.970 -1.168 1.00 10.00 H new ATOM 0 HB2 TYR A 21 11.566 -7.818 -2.124 1.00 10.00 H new ATOM 0 HB3 TYR A 21 10.223 -6.704 -1.963 1.00 10.00 H new ATOM 0 HD1 TYR A 21 9.869 -4.942 -3.581 1.00 10.00 H new ATOM 0 HD2 TYR A 21 13.382 -7.346 -3.784 1.00 10.00 H new ATOM 0 HE1 TYR A 21 10.356 -4.042 -5.814 1.00 10.00 H new ATOM 0 HE2 TYR A 21 13.870 -6.442 -6.014 1.00 10.00 H new ATOM 0 HH TYR A 21 12.651 -3.758 -7.243 1.00 10.00 H new ATOM 22 N ILE A 22 10.313 -5.619 0.647 1.00 10.00 N ATOM 23 CA ILE A 22 9.558 -5.833 1.868 1.00 10.00 C ATOM 24 C ILE A 22 8.205 -6.444 1.521 1.00 10.00 C ATOM 25 O ILE A 22 7.390 -5.822 0.832 1.00 10.00 O ATOM 26 CB ILE A 22 9.352 -4.517 2.654 1.00 10.00 C ATOM 27 CG1 ILE A 22 10.697 -3.827 2.919 1.00 10.00 C ATOM 28 CG2 ILE A 22 8.619 -4.784 3.964 1.00 10.00 C ATOM 29 CD1 ILE A 22 11.652 -4.642 3.769 1.00 10.00 C ATOM 0 H ILE A 22 9.974 -4.846 0.074 1.00 10.00 H new ATOM 0 HA ILE A 22 10.126 -6.511 2.504 1.00 10.00 H new ATOM 0 HB ILE A 22 8.740 -3.850 2.048 1.00 10.00 H new ATOM 0 HG12 ILE A 22 11.175 -3.606 1.964 1.00 10.00 H new ATOM 0 HG13 ILE A 22 10.513 -2.872 3.412 1.00 10.00 H new ATOM 0 HG21 ILE A 22 8.483 -3.846 4.503 1.00 10.00 H new ATOM 0 HG22 ILE A 22 7.645 -5.225 3.753 1.00 10.00 H new ATOM 0 HG23 ILE A 22 9.204 -5.472 4.575 1.00 10.00 H new ATOM 0 HD11 ILE A 22 12.579 -4.086 3.910 1.00 10.00 H new ATOM 0 HD12 ILE A 22 11.196 -4.841 4.739 1.00 10.00 H new ATOM 0 HD13 ILE A 22 11.868 -5.586 3.269 1.00 10.00 H new ATOM 41 N LYS A 23 7.978 -7.665 1.984 1.00 10.00 N ATOM 42 CA LYS A 23 6.739 -8.379 1.707 1.00 10.00 C ATOM 43 C LYS A 23 5.620 -7.924 2.635 1.00 10.00 C ATOM 44 O LYS A 23 5.635 -8.209 3.833 1.00 10.00 O ATOM 45 CB LYS A 23 6.969 -9.888 1.839 1.00 10.00 C ATOM 46 CG LYS A 23 5.725 -10.732 1.621 1.00 10.00 C ATOM 47 CD LYS A 23 6.068 -12.192 1.367 1.00 10.00 C ATOM 48 CE LYS A 23 6.596 -12.882 2.619 1.00 10.00 C ATOM 49 NZ LYS A 23 8.081 -12.900 2.666 1.00 10.00 N ATOM 0 H LYS A 23 8.641 -8.186 2.558 1.00 10.00 H new ATOM 0 HA LYS A 23 6.432 -8.153 0.686 1.00 10.00 H new ATOM 0 HB2 LYS A 23 7.730 -10.192 1.120 1.00 10.00 H new ATOM 0 HB3 LYS A 23 7.366 -10.098 2.832 1.00 10.00 H new ATOM 0 HG2 LYS A 23 5.078 -10.658 2.495 1.00 10.00 H new ATOM 0 HG3 LYS A 23 5.163 -10.338 0.774 1.00 10.00 H new ATOM 0 HD2 LYS A 23 5.181 -12.716 1.011 1.00 10.00 H new ATOM 0 HD3 LYS A 23 6.815 -12.256 0.576 1.00 10.00 H new ATOM 0 HE2 LYS A 23 6.212 -12.371 3.502 1.00 10.00 H new ATOM 0 HE3 LYS A 23 6.221 -13.905 2.654 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 8.402 -13.744 3.182 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 8.459 -12.922 1.697 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 8.423 -12.047 3.152 1.00 10.00 H new ATOM 63 N LEU A 24 4.664 -7.202 2.074 1.00 10.00 N ATOM 64 CA LEU A 24 3.526 -6.706 2.834 1.00 10.00 C ATOM 65 C LEU A 24 2.239 -7.356 2.342 1.00 10.00 C ATOM 66 O LEU A 24 2.109 -7.664 1.153 1.00 10.00 O ATOM 67 CB LEU A 24 3.420 -5.186 2.704 1.00 10.00 C ATOM 68 CG LEU A 24 4.639 -4.404 3.196 1.00 10.00 C ATOM 69 CD1 LEU A 24 4.491 -2.928 2.874 1.00 10.00 C ATOM 70 CD2 LEU A 24 4.832 -4.609 4.689 1.00 10.00 C ATOM 0 H LEU A 24 4.653 -6.944 1.087 1.00 10.00 H new ATOM 0 HA LEU A 24 3.675 -6.962 3.883 1.00 10.00 H new ATOM 0 HB2 LEU A 24 3.248 -4.938 1.657 1.00 10.00 H new ATOM 0 HB3 LEU A 24 2.544 -4.850 3.259 1.00 10.00 H new ATOM 0 HG LEU A 24 5.522 -4.779 2.679 1.00 10.00 H new ATOM 0 HD11 LEU A 24 5.368 -2.388 3.232 1.00 10.00 H new ATOM 0 HD12 LEU A 24 4.400 -2.798 1.796 1.00 10.00 H new ATOM 0 HD13 LEU A 24 3.599 -2.536 3.363 1.00 10.00 H new ATOM 0 HD21 LEU A 24 5.703 -4.046 5.024 1.00 10.00 H new ATOM 0 HD22 LEU A 24 3.948 -4.259 5.222 1.00 10.00 H new ATOM 0 HD23 LEU A 24 4.984 -5.669 4.894 1.00 10.00 H new ATOM 82 N LYS A 25 1.302 -7.576 3.253 1.00 10.00 N ATOM 83 CA LYS A 25 0.024 -8.179 2.902 1.00 10.00 C ATOM 84 C LYS A 25 -1.111 -7.183 3.098 1.00 10.00 C ATOM 85 O LYS A 25 -1.307 -6.652 4.193 1.00 10.00 O ATOM 86 CB LYS A 25 -0.232 -9.438 3.739 1.00 10.00 C ATOM 87 CG LYS A 25 -0.030 -10.730 2.968 1.00 10.00 C ATOM 88 CD LYS A 25 -0.466 -11.943 3.775 1.00 10.00 C ATOM 89 CE LYS A 25 -0.296 -13.228 2.979 1.00 10.00 C ATOM 90 NZ LYS A 25 -0.686 -14.428 3.765 1.00 10.00 N ATOM 0 H LYS A 25 1.403 -7.346 4.242 1.00 10.00 H new ATOM 0 HA LYS A 25 0.064 -8.463 1.850 1.00 10.00 H new ATOM 0 HB2 LYS A 25 0.433 -9.432 4.603 1.00 10.00 H new ATOM 0 HB3 LYS A 25 -1.252 -9.409 4.122 1.00 10.00 H new ATOM 0 HG2 LYS A 25 -0.596 -10.690 2.037 1.00 10.00 H new ATOM 0 HG3 LYS A 25 1.021 -10.832 2.698 1.00 10.00 H new ATOM 0 HD2 LYS A 25 0.119 -12.001 4.693 1.00 10.00 H new ATOM 0 HD3 LYS A 25 -1.510 -11.831 4.069 1.00 10.00 H new ATOM 0 HE2 LYS A 25 -0.901 -13.176 2.074 1.00 10.00 H new ATOM 0 HE3 LYS A 25 0.743 -13.324 2.663 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 -0.295 -15.280 3.315 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 -0.313 -14.346 4.732 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 -1.723 -14.499 3.799 1.00 10.00 H new ATOM 104 N VAL A 26 -1.844 -6.923 2.030 1.00 10.00 N ATOM 105 CA VAL A 26 -2.963 -6.001 2.078 1.00 10.00 C ATOM 106 C VAL A 26 -4.241 -6.774 2.361 1.00 10.00 C ATOM 107 O VAL A 26 -4.552 -7.753 1.678 1.00 10.00 O ATOM 108 CB VAL A 26 -3.122 -5.213 0.760 1.00 10.00 C ATOM 109 CG1 VAL A 26 -4.034 -4.013 0.958 1.00 10.00 C ATOM 110 CG2 VAL A 26 -1.767 -4.776 0.221 1.00 10.00 C ATOM 0 H VAL A 26 -1.682 -7.341 1.114 1.00 10.00 H new ATOM 0 HA VAL A 26 -2.767 -5.282 2.873 1.00 10.00 H new ATOM 0 HB VAL A 26 -3.581 -5.874 0.025 1.00 10.00 H new ATOM 0 HG11 VAL A 26 -4.132 -3.472 0.017 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -5.016 -4.353 1.286 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -3.608 -3.353 1.713 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -1.906 -4.223 -0.708 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -1.273 -4.137 0.953 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.150 -5.655 0.031 1.00 10.00 H new ATOM 120 N ILE A 27 -4.964 -6.346 3.380 1.00 10.00 N ATOM 121 CA ILE A 27 -6.198 -7.007 3.767 1.00 10.00 C ATOM 122 C ILE A 27 -7.410 -6.277 3.197 1.00 10.00 C ATOM 123 O ILE A 27 -7.711 -5.148 3.591 1.00 10.00 O ATOM 124 CB ILE A 27 -6.332 -7.094 5.304 1.00 10.00 C ATOM 125 CG1 ILE A 27 -5.016 -7.563 5.941 1.00 10.00 C ATOM 126 CG2 ILE A 27 -7.473 -8.025 5.688 1.00 10.00 C ATOM 127 CD1 ILE A 27 -4.580 -8.949 5.507 1.00 10.00 C ATOM 0 H ILE A 27 -4.717 -5.541 3.956 1.00 10.00 H new ATOM 0 HA ILE A 27 -6.162 -8.017 3.359 1.00 10.00 H new ATOM 0 HB ILE A 27 -6.557 -6.097 5.683 1.00 10.00 H new ATOM 0 HG12 ILE A 27 -4.229 -6.851 5.691 1.00 10.00 H new ATOM 0 HG13 ILE A 27 -5.125 -7.550 7.026 1.00 10.00 H new ATOM 0 HG21 ILE A 27 -7.553 -8.074 6.774 1.00 10.00 H new ATOM 0 HG22 ILE A 27 -8.407 -7.647 5.272 1.00 10.00 H new ATOM 0 HG23 ILE A 27 -7.278 -9.022 5.293 1.00 10.00 H new ATOM 0 HD11 ILE A 27 -3.643 -9.207 6.000 1.00 10.00 H new ATOM 0 HD12 ILE A 27 -5.346 -9.674 5.782 1.00 10.00 H new ATOM 0 HD13 ILE A 27 -4.437 -8.964 4.427 1.00 10.00 H new ATOM 139 N GLY A 28 -8.085 -6.920 2.254 1.00 10.00 N ATOM 140 CA GLY A 28 -9.265 -6.332 1.649 1.00 10.00 C ATOM 141 C GLY A 28 -10.532 -6.747 2.370 1.00 10.00 C ATOM 142 O GLY A 28 -10.572 -7.800 3.014 1.00 10.00 O ATOM 0 H GLY A 28 -7.836 -7.842 1.896 1.00 10.00 H new ATOM 0 HA2 GLY A 28 -9.178 -5.246 1.663 1.00 10.00 H new ATOM 0 HA3 GLY A 28 -9.326 -6.633 0.603 1.00 10.00 H new ATOM 146 N GLN A 29 -11.572 -5.932 2.255 1.00 10.00 N ATOM 147 CA GLN A 29 -12.847 -6.212 2.908 1.00 10.00 C ATOM 148 C GLN A 29 -13.591 -7.343 2.195 1.00 10.00 C ATOM 149 O GLN A 29 -14.527 -7.929 2.739 1.00 10.00 O ATOM 150 CB GLN A 29 -13.711 -4.947 2.939 1.00 10.00 C ATOM 151 CG GLN A 29 -14.937 -5.057 3.833 1.00 10.00 C ATOM 152 CD GLN A 29 -14.590 -5.436 5.262 1.00 10.00 C ATOM 153 OE1 GLN A 29 -14.357 -4.575 6.107 1.00 10.00 O ATOM 154 NE2 GLN A 29 -14.560 -6.731 5.541 1.00 10.00 N ATOM 0 H GLN A 29 -11.559 -5.068 1.714 1.00 10.00 H new ATOM 0 HA GLN A 29 -12.645 -6.531 3.931 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -13.100 -4.110 3.279 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -14.034 -4.715 1.924 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -15.468 -4.105 3.833 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -15.617 -5.801 3.419 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -14.760 -7.415 4.811 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -14.337 -7.044 6.486 1.00 10.00 H new ATOM 163 N ASP A 30 -13.163 -7.649 0.981 1.00 10.00 N ATOM 164 CA ASP A 30 -13.783 -8.706 0.189 1.00 10.00 C ATOM 165 C ASP A 30 -13.068 -10.040 0.396 1.00 10.00 C ATOM 166 O ASP A 30 -13.354 -11.015 -0.299 1.00 10.00 O ATOM 167 CB ASP A 30 -13.773 -8.333 -1.295 1.00 10.00 C ATOM 168 CG ASP A 30 -12.376 -8.069 -1.815 1.00 10.00 C ATOM 169 OD1 ASP A 30 -11.842 -6.967 -1.558 1.00 10.00 O ATOM 170 OD2 ASP A 30 -11.804 -8.962 -2.475 1.00 10.00 O ATOM 0 H ASP A 30 -12.385 -7.179 0.518 1.00 10.00 H new ATOM 0 HA ASP A 30 -14.815 -8.815 0.523 1.00 10.00 H new ATOM 0 HB2 ASP A 30 -14.226 -9.139 -1.872 1.00 10.00 H new ATOM 0 HB3 ASP A 30 -14.388 -7.446 -1.448 1.00 10.00 H new ATOM 175 N SER A 31 -12.152 -10.067 1.362 1.00 10.00 N ATOM 176 CA SER A 31 -11.386 -11.267 1.695 1.00 10.00 C ATOM 177 C SER A 31 -10.494 -11.706 0.532 1.00 10.00 C ATOM 178 O SER A 31 -10.786 -12.672 -0.177 1.00 10.00 O ATOM 179 CB SER A 31 -12.324 -12.397 2.131 1.00 10.00 C ATOM 180 OG SER A 31 -13.181 -11.963 3.179 1.00 10.00 O ATOM 0 H SER A 31 -11.920 -9.257 1.937 1.00 10.00 H new ATOM 0 HA SER A 31 -10.729 -11.025 2.530 1.00 10.00 H new ATOM 0 HB2 SER A 31 -12.920 -12.730 1.281 1.00 10.00 H new ATOM 0 HB3 SER A 31 -11.739 -13.254 2.465 1.00 10.00 H new ATOM 0 HG SER A 31 -13.774 -12.698 3.443 1.00 10.00 H new ATOM 186 N SER A 32 -9.411 -10.968 0.349 1.00 10.00 N ATOM 187 CA SER A 32 -8.424 -11.224 -0.691 1.00 10.00 C ATOM 188 C SER A 32 -7.060 -10.782 -0.167 1.00 10.00 C ATOM 189 O SER A 32 -6.828 -9.591 0.039 1.00 10.00 O ATOM 190 CB SER A 32 -8.790 -10.446 -1.959 1.00 10.00 C ATOM 191 OG SER A 32 -9.296 -9.154 -1.645 1.00 10.00 O ATOM 0 H SER A 32 -9.188 -10.159 0.929 1.00 10.00 H new ATOM 0 HA SER A 32 -8.399 -12.285 -0.941 1.00 10.00 H new ATOM 0 HB2 SER A 32 -7.910 -10.350 -2.596 1.00 10.00 H new ATOM 0 HB3 SER A 32 -9.535 -11.003 -2.527 1.00 10.00 H new ATOM 0 HG SER A 32 -10.033 -8.935 -2.252 1.00 10.00 H new ATOM 197 N GLU A 33 -6.182 -11.733 0.104 1.00 10.00 N ATOM 198 CA GLU A 33 -4.859 -11.408 0.614 1.00 10.00 C ATOM 199 C GLU A 33 -3.961 -10.919 -0.508 1.00 10.00 C ATOM 200 O GLU A 33 -3.463 -11.712 -1.311 1.00 10.00 O ATOM 201 CB GLU A 33 -4.237 -12.624 1.298 1.00 10.00 C ATOM 202 CG GLU A 33 -4.808 -12.903 2.678 1.00 10.00 C ATOM 203 CD GLU A 33 -4.482 -14.297 3.169 1.00 10.00 C ATOM 204 OE1 GLU A 33 -5.422 -15.051 3.485 1.00 10.00 O ATOM 205 OE2 GLU A 33 -3.284 -14.650 3.230 1.00 10.00 O ATOM 0 H GLU A 33 -6.359 -12.730 -0.019 1.00 10.00 H new ATOM 0 HA GLU A 33 -4.961 -10.610 1.349 1.00 10.00 H new ATOM 0 HB2 GLU A 33 -4.386 -13.501 0.668 1.00 10.00 H new ATOM 0 HB3 GLU A 33 -3.161 -12.472 1.383 1.00 10.00 H new ATOM 0 HG2 GLU A 33 -4.416 -12.171 3.385 1.00 10.00 H new ATOM 0 HG3 GLU A 33 -5.890 -12.774 2.653 1.00 10.00 H new ATOM 212 N ILE A 34 -3.774 -9.611 -0.581 1.00 10.00 N ATOM 213 CA ILE A 34 -2.936 -9.027 -1.613 1.00 10.00 C ATOM 214 C ILE A 34 -1.491 -8.969 -1.139 1.00 10.00 C ATOM 215 O ILE A 34 -1.219 -8.654 0.018 1.00 10.00 O ATOM 216 CB ILE A 34 -3.386 -7.604 -2.022 1.00 10.00 C ATOM 217 CG1 ILE A 34 -4.877 -7.370 -1.726 1.00 10.00 C ATOM 218 CG2 ILE A 34 -3.101 -7.381 -3.501 1.00 10.00 C ATOM 219 CD1 ILE A 34 -5.820 -8.089 -2.667 1.00 10.00 C ATOM 0 H ILE A 34 -4.190 -8.936 0.061 1.00 10.00 H new ATOM 0 HA ILE A 34 -3.030 -9.669 -2.489 1.00 10.00 H new ATOM 0 HB ILE A 34 -2.819 -6.887 -1.428 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -5.087 -7.690 -0.705 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -5.081 -6.300 -1.773 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -3.419 -6.378 -3.786 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -2.032 -7.489 -3.686 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -3.647 -8.116 -4.092 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -6.850 -7.870 -2.387 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -5.642 -7.752 -3.688 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -5.648 -9.163 -2.604 1.00 10.00 H new ATOM 231 N HIS A 35 -0.574 -9.276 -2.033 1.00 10.00 N ATOM 232 CA HIS A 35 0.842 -9.269 -1.716 1.00 10.00 C ATOM 233 C HIS A 35 1.537 -8.091 -2.385 1.00 10.00 C ATOM 234 O HIS A 35 1.905 -8.155 -3.561 1.00 10.00 O ATOM 235 CB HIS A 35 1.493 -10.579 -2.170 1.00 10.00 C ATOM 236 CG HIS A 35 1.871 -11.503 -1.054 1.00 10.00 C ATOM 237 ND1 HIS A 35 2.071 -12.844 -1.281 1.00 10.00 N ATOM 238 CD2 HIS A 35 2.095 -11.239 0.258 1.00 10.00 C ATOM 239 CE1 HIS A 35 2.411 -13.364 -0.115 1.00 10.00 C ATOM 240 NE2 HIS A 35 2.439 -12.430 0.843 1.00 10.00 N ATOM 0 H HIS A 35 -0.786 -9.537 -2.996 1.00 10.00 H new ATOM 0 HA HIS A 35 0.949 -9.171 -0.636 1.00 10.00 H new ATOM 0 HB2 HIS A 35 0.807 -11.099 -2.839 1.00 10.00 H new ATOM 0 HB3 HIS A 35 2.386 -10.345 -2.749 1.00 10.00 H new ATOM 0 HD2 HIS A 35 2.017 -10.279 0.746 1.00 10.00 H new ATOM 0 HE1 HIS A 35 2.637 -14.408 0.044 1.00 10.00 H new ATOM 0 HE2 HIS A 35 2.673 -12.577 1.825 1.00 10.00 H new ATOM 248 N PHE A 36 1.702 -7.014 -1.637 1.00 10.00 N ATOM 249 CA PHE A 36 2.362 -5.826 -2.151 1.00 10.00 C ATOM 250 C PHE A 36 3.807 -5.799 -1.669 1.00 10.00 C ATOM 251 O PHE A 36 4.080 -5.451 -0.521 1.00 10.00 O ATOM 252 CB PHE A 36 1.620 -4.561 -1.693 1.00 10.00 C ATOM 253 CG PHE A 36 1.862 -3.347 -2.552 1.00 10.00 C ATOM 254 CD1 PHE A 36 3.021 -3.216 -3.302 1.00 10.00 C ATOM 255 CD2 PHE A 36 0.924 -2.326 -2.600 1.00 10.00 C ATOM 256 CE1 PHE A 36 3.238 -2.098 -4.080 1.00 10.00 C ATOM 257 CE2 PHE A 36 1.138 -1.205 -3.378 1.00 10.00 C ATOM 258 CZ PHE A 36 2.298 -1.091 -4.118 1.00 10.00 C ATOM 0 H PHE A 36 1.387 -6.937 -0.670 1.00 10.00 H new ATOM 0 HA PHE A 36 2.349 -5.852 -3.241 1.00 10.00 H new ATOM 0 HB2 PHE A 36 0.550 -4.770 -1.675 1.00 10.00 H new ATOM 0 HB3 PHE A 36 1.918 -4.331 -0.670 1.00 10.00 H new ATOM 0 HD1 PHE A 36 3.764 -4.000 -3.277 1.00 10.00 H new ATOM 0 HD2 PHE A 36 0.015 -2.409 -2.022 1.00 10.00 H new ATOM 0 HE1 PHE A 36 4.145 -2.012 -4.660 1.00 10.00 H new ATOM 0 HE2 PHE A 36 0.399 -0.418 -3.407 1.00 10.00 H new ATOM 0 HZ PHE A 36 2.468 -0.214 -4.725 1.00 10.00 H new ATOM 268 N LYS A 37 4.728 -6.202 -2.529 1.00 10.00 N ATOM 269 CA LYS A 37 6.133 -6.206 -2.166 1.00 10.00 C ATOM 270 C LYS A 37 6.777 -4.884 -2.569 1.00 10.00 C ATOM 271 O LYS A 37 6.988 -4.606 -3.752 1.00 10.00 O ATOM 272 CB LYS A 37 6.873 -7.399 -2.787 1.00 10.00 C ATOM 273 CG LYS A 37 6.642 -7.583 -4.281 1.00 10.00 C ATOM 274 CD LYS A 37 7.292 -8.861 -4.795 1.00 10.00 C ATOM 275 CE LYS A 37 8.794 -8.871 -4.548 1.00 10.00 C ATOM 276 NZ LYS A 37 9.425 -10.139 -4.997 1.00 10.00 N ATOM 0 H LYS A 37 4.529 -6.528 -3.475 1.00 10.00 H new ATOM 0 HA LYS A 37 6.208 -6.315 -1.084 1.00 10.00 H new ATOM 0 HB2 LYS A 37 7.942 -7.278 -2.611 1.00 10.00 H new ATOM 0 HB3 LYS A 37 6.566 -8.309 -2.271 1.00 10.00 H new ATOM 0 HG2 LYS A 37 5.571 -7.612 -4.484 1.00 10.00 H new ATOM 0 HG3 LYS A 37 7.046 -6.726 -4.821 1.00 10.00 H new ATOM 0 HD2 LYS A 37 6.838 -9.722 -4.305 1.00 10.00 H new ATOM 0 HD3 LYS A 37 7.099 -8.963 -5.863 1.00 10.00 H new ATOM 0 HE2 LYS A 37 9.253 -8.033 -5.072 1.00 10.00 H new ATOM 0 HE3 LYS A 37 8.987 -8.727 -3.485 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 10.447 -10.103 -4.810 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 9.006 -10.938 -4.479 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 9.264 -10.265 -6.017 1.00 10.00 H new ATOM 290 N VAL A 38 7.058 -4.063 -1.573 1.00 10.00 N ATOM 291 CA VAL A 38 7.655 -2.757 -1.799 1.00 10.00 C ATOM 292 C VAL A 38 9.169 -2.828 -1.660 1.00 10.00 C ATOM 293 O VAL A 38 9.715 -3.865 -1.297 1.00 10.00 O ATOM 294 CB VAL A 38 7.091 -1.712 -0.813 1.00 10.00 C ATOM 295 CG1 VAL A 38 5.575 -1.641 -0.926 1.00 10.00 C ATOM 296 CG2 VAL A 38 7.505 -2.029 0.618 1.00 10.00 C ATOM 0 H VAL A 38 6.881 -4.279 -0.592 1.00 10.00 H new ATOM 0 HA VAL A 38 7.404 -2.450 -2.814 1.00 10.00 H new ATOM 0 HB VAL A 38 7.507 -0.739 -1.076 1.00 10.00 H new ATOM 0 HG11 VAL A 38 5.192 -0.900 -0.224 1.00 10.00 H new ATOM 0 HG12 VAL A 38 5.299 -1.356 -1.941 1.00 10.00 H new ATOM 0 HG13 VAL A 38 5.147 -2.616 -0.693 1.00 10.00 H new ATOM 0 HG21 VAL A 38 7.094 -1.277 1.291 1.00 10.00 H new ATOM 0 HG22 VAL A 38 7.126 -3.012 0.897 1.00 10.00 H new ATOM 0 HG23 VAL A 38 8.593 -2.026 0.691 1.00 10.00 H new ATOM 306 N LYS A 39 9.843 -1.727 -1.944 1.00 10.00 N ATOM 307 CA LYS A 39 11.291 -1.685 -1.850 1.00 10.00 C ATOM 308 C LYS A 39 11.732 -0.447 -1.084 1.00 10.00 C ATOM 309 O LYS A 39 11.104 0.608 -1.190 1.00 10.00 O ATOM 310 CB LYS A 39 11.910 -1.682 -3.246 1.00 10.00 C ATOM 311 CG LYS A 39 13.210 -2.462 -3.338 1.00 10.00 C ATOM 312 CD LYS A 39 13.803 -2.384 -4.734 1.00 10.00 C ATOM 313 CE LYS A 39 15.061 -1.537 -4.759 1.00 10.00 C ATOM 314 NZ LYS A 39 15.496 -1.238 -6.143 1.00 10.00 N ATOM 0 H LYS A 39 9.411 -0.852 -2.241 1.00 10.00 H new ATOM 0 HA LYS A 39 11.631 -2.571 -1.315 1.00 10.00 H new ATOM 0 HB2 LYS A 39 11.194 -2.102 -3.952 1.00 10.00 H new ATOM 0 HB3 LYS A 39 12.092 -0.652 -3.551 1.00 10.00 H new ATOM 0 HG2 LYS A 39 13.924 -2.069 -2.615 1.00 10.00 H new ATOM 0 HG3 LYS A 39 13.031 -3.504 -3.075 1.00 10.00 H new ATOM 0 HD2 LYS A 39 14.033 -3.389 -5.089 1.00 10.00 H new ATOM 0 HD3 LYS A 39 13.067 -1.964 -5.420 1.00 10.00 H new ATOM 0 HE2 LYS A 39 14.881 -0.604 -4.225 1.00 10.00 H new ATOM 0 HE3 LYS A 39 15.860 -2.058 -4.231 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 16.508 -0.999 -6.145 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 15.336 -2.071 -6.745 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 14.950 -0.434 -6.512 1.00 10.00 H new ATOM 328 N MET A 40 12.803 -0.579 -0.311 1.00 10.00 N ATOM 329 CA MET A 40 13.326 0.535 0.471 1.00 10.00 C ATOM 330 C MET A 40 14.042 1.529 -0.437 1.00 10.00 C ATOM 331 O MET A 40 15.269 1.523 -0.552 1.00 10.00 O ATOM 332 CB MET A 40 14.270 0.028 1.565 1.00 10.00 C ATOM 333 CG MET A 40 14.712 1.104 2.542 1.00 10.00 C ATOM 334 SD MET A 40 13.328 1.999 3.280 1.00 10.00 S ATOM 335 CE MET A 40 12.431 0.662 4.067 1.00 10.00 C ATOM 0 H MET A 40 13.327 -1.448 -0.209 1.00 10.00 H new ATOM 0 HA MET A 40 12.490 1.044 0.951 1.00 10.00 H new ATOM 0 HB2 MET A 40 13.775 -0.770 2.118 1.00 10.00 H new ATOM 0 HB3 MET A 40 15.152 -0.409 1.097 1.00 10.00 H new ATOM 0 HG2 MET A 40 15.305 0.647 3.334 1.00 10.00 H new ATOM 0 HG3 MET A 40 15.361 1.811 2.026 1.00 10.00 H new ATOM 0 HE1 MET A 40 11.689 1.075 4.750 1.00 10.00 H new ATOM 0 HE2 MET A 40 11.931 0.062 3.307 1.00 10.00 H new ATOM 0 HE3 MET A 40 13.127 0.035 4.623 1.00 10.00 H new ATOM 345 N THR A 41 13.251 2.376 -1.075 1.00 10.00 N ATOM 346 CA THR A 41 13.745 3.388 -1.996 1.00 10.00 C ATOM 347 C THR A 41 12.570 4.025 -2.722 1.00 10.00 C ATOM 348 O THR A 41 12.635 5.179 -3.156 1.00 10.00 O ATOM 349 CB THR A 41 14.718 2.795 -3.050 1.00 10.00 C ATOM 350 OG1 THR A 41 15.454 3.846 -3.677 1.00 10.00 O ATOM 351 CG2 THR A 41 13.976 1.985 -4.111 1.00 10.00 C ATOM 0 H THR A 41 12.237 2.381 -0.967 1.00 10.00 H new ATOM 0 HA THR A 41 14.290 4.127 -1.409 1.00 10.00 H new ATOM 0 HB THR A 41 15.401 2.123 -2.530 1.00 10.00 H new ATOM 0 HG1 THR A 41 15.343 3.788 -4.649 1.00 10.00 H new ATOM 0 HG21 THR A 41 14.691 1.586 -4.831 1.00 10.00 H new ATOM 0 HG22 THR A 41 13.444 1.162 -3.634 1.00 10.00 H new ATOM 0 HG23 THR A 41 13.263 2.628 -4.627 1.00 10.00 H new ATOM 359 N THR A 42 11.490 3.261 -2.823 1.00 10.00 N ATOM 360 CA THR A 42 10.307 3.699 -3.530 1.00 10.00 C ATOM 361 C THR A 42 9.481 4.663 -2.688 1.00 10.00 C ATOM 362 O THR A 42 9.197 4.394 -1.517 1.00 10.00 O ATOM 363 CB THR A 42 9.449 2.484 -3.943 1.00 10.00 C ATOM 364 OG1 THR A 42 8.739 1.974 -2.808 1.00 10.00 O ATOM 365 CG2 THR A 42 10.318 1.372 -4.512 1.00 10.00 C ATOM 0 H THR A 42 11.415 2.328 -2.418 1.00 10.00 H new ATOM 0 HA THR A 42 10.631 4.228 -4.426 1.00 10.00 H new ATOM 0 HB THR A 42 8.746 2.818 -4.706 1.00 10.00 H new ATOM 0 HG1 THR A 42 9.362 1.501 -2.218 1.00 10.00 H new ATOM 0 HG21 THR A 42 9.689 0.528 -4.795 1.00 10.00 H new ATOM 0 HG22 THR A 42 10.850 1.739 -5.390 1.00 10.00 H new ATOM 0 HG23 THR A 42 11.038 1.052 -3.759 1.00 10.00 H new ATOM 373 N HIS A 43 9.093 5.784 -3.283 1.00 10.00 N ATOM 374 CA HIS A 43 8.298 6.769 -2.568 1.00 10.00 C ATOM 375 C HIS A 43 6.883 6.235 -2.402 1.00 10.00 C ATOM 376 O HIS A 43 6.330 5.646 -3.333 1.00 10.00 O ATOM 377 CB HIS A 43 8.235 8.114 -3.305 1.00 10.00 C ATOM 378 CG HIS A 43 9.531 8.617 -3.869 1.00 10.00 C ATOM 379 ND1 HIS A 43 9.528 9.582 -4.847 1.00 10.00 N ATOM 380 CD2 HIS A 43 10.821 8.284 -3.586 1.00 10.00 C ATOM 381 CE1 HIS A 43 10.791 9.811 -5.131 1.00 10.00 C ATOM 382 NE2 HIS A 43 11.601 9.051 -4.393 1.00 10.00 N ATOM 0 H HIS A 43 9.314 6.030 -4.248 1.00 10.00 H new ATOM 0 HA HIS A 43 8.773 6.940 -1.602 1.00 10.00 H new ATOM 0 HB2 HIS A 43 7.517 8.026 -4.120 1.00 10.00 H new ATOM 0 HB3 HIS A 43 7.845 8.865 -2.617 1.00 10.00 H new ATOM 0 HD1 HIS A 43 8.713 10.029 -5.267 1.00 10.00 H new ATOM 0 HD2 HIS A 43 11.158 7.555 -2.864 1.00 10.00 H new ATOM 0 HE1 HIS A 43 11.130 10.524 -5.868 1.00 10.00 H new ATOM 390 N LEU A 44 6.288 6.459 -1.237 1.00 10.00 N ATOM 391 CA LEU A 44 4.934 5.978 -0.969 1.00 10.00 C ATOM 392 C LEU A 44 3.912 6.629 -1.901 1.00 10.00 C ATOM 393 O LEU A 44 2.799 6.127 -2.062 1.00 10.00 O ATOM 394 CB LEU A 44 4.563 6.218 0.491 1.00 10.00 C ATOM 395 CG LEU A 44 4.398 4.945 1.323 1.00 10.00 C ATOM 396 CD1 LEU A 44 4.513 5.254 2.805 1.00 10.00 C ATOM 397 CD2 LEU A 44 3.064 4.283 1.017 1.00 10.00 C ATOM 0 H LEU A 44 6.717 6.968 -0.464 1.00 10.00 H new ATOM 0 HA LEU A 44 4.917 4.905 -1.162 1.00 10.00 H new ATOM 0 HB2 LEU A 44 5.332 6.840 0.950 1.00 10.00 H new ATOM 0 HB3 LEU A 44 3.632 6.784 0.528 1.00 10.00 H new ATOM 0 HG LEU A 44 5.197 4.253 1.057 1.00 10.00 H new ATOM 0 HD11 LEU A 44 4.393 4.335 3.379 1.00 10.00 H new ATOM 0 HD12 LEU A 44 5.492 5.685 3.012 1.00 10.00 H new ATOM 0 HD13 LEU A 44 3.737 5.964 3.090 1.00 10.00 H new ATOM 0 HD21 LEU A 44 2.961 3.378 1.616 1.00 10.00 H new ATOM 0 HD22 LEU A 44 2.253 4.971 1.256 1.00 10.00 H new ATOM 0 HD23 LEU A 44 3.020 4.024 -0.041 1.00 10.00 H new ATOM 409 N LYS A 45 4.306 7.736 -2.522 1.00 10.00 N ATOM 410 CA LYS A 45 3.442 8.446 -3.456 1.00 10.00 C ATOM 411 C LYS A 45 3.124 7.553 -4.654 1.00 10.00 C ATOM 412 O LYS A 45 1.990 7.513 -5.136 1.00 10.00 O ATOM 413 CB LYS A 45 4.124 9.741 -3.924 1.00 10.00 C ATOM 414 CG LYS A 45 3.309 10.546 -4.927 1.00 10.00 C ATOM 415 CD LYS A 45 2.109 11.205 -4.271 1.00 10.00 C ATOM 416 CE LYS A 45 1.168 11.814 -5.300 1.00 10.00 C ATOM 417 NZ LYS A 45 -0.096 12.281 -4.683 1.00 10.00 N ATOM 0 H LYS A 45 5.224 8.162 -2.394 1.00 10.00 H new ATOM 0 HA LYS A 45 2.510 8.704 -2.953 1.00 10.00 H new ATOM 0 HB2 LYS A 45 4.329 10.365 -3.054 1.00 10.00 H new ATOM 0 HB3 LYS A 45 5.086 9.491 -4.371 1.00 10.00 H new ATOM 0 HG2 LYS A 45 3.941 11.309 -5.381 1.00 10.00 H new ATOM 0 HG3 LYS A 45 2.971 9.892 -5.731 1.00 10.00 H new ATOM 0 HD2 LYS A 45 1.570 10.468 -3.676 1.00 10.00 H new ATOM 0 HD3 LYS A 45 2.450 11.981 -3.585 1.00 10.00 H new ATOM 0 HE2 LYS A 45 1.662 12.651 -5.794 1.00 10.00 H new ATOM 0 HE3 LYS A 45 0.945 11.076 -6.070 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 -0.871 12.193 -5.371 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 -0.308 11.702 -3.846 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 0.003 13.277 -4.399 1.00 10.00 H new ATOM 431 N LYS A 46 4.128 6.815 -5.112 1.00 10.00 N ATOM 432 CA LYS A 46 3.958 5.923 -6.251 1.00 10.00 C ATOM 433 C LYS A 46 3.254 4.640 -5.822 1.00 10.00 C ATOM 434 O LYS A 46 2.524 4.030 -6.602 1.00 10.00 O ATOM 435 CB LYS A 46 5.313 5.602 -6.891 1.00 10.00 C ATOM 436 CG LYS A 46 5.214 4.711 -8.122 1.00 10.00 C ATOM 437 CD LYS A 46 6.294 5.029 -9.144 1.00 10.00 C ATOM 438 CE LYS A 46 5.738 5.824 -10.312 1.00 10.00 C ATOM 439 NZ LYS A 46 5.425 7.227 -9.935 1.00 10.00 N ATOM 0 H LYS A 46 5.067 6.817 -4.713 1.00 10.00 H new ATOM 0 HA LYS A 46 3.338 6.427 -6.993 1.00 10.00 H new ATOM 0 HB2 LYS A 46 5.804 6.535 -7.167 1.00 10.00 H new ATOM 0 HB3 LYS A 46 5.948 5.115 -6.151 1.00 10.00 H new ATOM 0 HG2 LYS A 46 5.296 3.667 -7.821 1.00 10.00 H new ATOM 0 HG3 LYS A 46 4.233 4.834 -8.581 1.00 10.00 H new ATOM 0 HD2 LYS A 46 7.094 5.594 -8.666 1.00 10.00 H new ATOM 0 HD3 LYS A 46 6.734 4.102 -9.510 1.00 10.00 H new ATOM 0 HE2 LYS A 46 6.460 5.821 -11.128 1.00 10.00 H new ATOM 0 HE3 LYS A 46 4.835 5.339 -10.683 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 5.194 7.773 -10.790 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 4.612 7.239 -9.286 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 6.249 7.652 -9.465 1.00 10.00 H new ATOM 453 N LEU A 47 3.474 4.241 -4.574 1.00 10.00 N ATOM 454 CA LEU A 47 2.861 3.030 -4.032 1.00 10.00 C ATOM 455 C LEU A 47 1.343 3.119 -4.098 1.00 10.00 C ATOM 456 O LEU A 47 0.675 2.237 -4.645 1.00 10.00 O ATOM 457 CB LEU A 47 3.292 2.813 -2.576 1.00 10.00 C ATOM 458 CG LEU A 47 4.525 1.930 -2.373 1.00 10.00 C ATOM 459 CD1 LEU A 47 5.741 2.542 -3.042 1.00 10.00 C ATOM 460 CD2 LEU A 47 4.789 1.723 -0.890 1.00 10.00 C ATOM 0 H LEU A 47 4.074 4.739 -3.916 1.00 10.00 H new ATOM 0 HA LEU A 47 3.197 2.187 -4.637 1.00 10.00 H new ATOM 0 HB2 LEU A 47 3.487 3.786 -2.125 1.00 10.00 H new ATOM 0 HB3 LEU A 47 2.458 2.371 -2.032 1.00 10.00 H new ATOM 0 HG LEU A 47 4.331 0.961 -2.834 1.00 10.00 H new ATOM 0 HD11 LEU A 47 6.606 1.897 -2.885 1.00 10.00 H new ATOM 0 HD12 LEU A 47 5.555 2.645 -4.111 1.00 10.00 H new ATOM 0 HD13 LEU A 47 5.937 3.524 -2.612 1.00 10.00 H new ATOM 0 HD21 LEU A 47 5.669 1.093 -0.762 1.00 10.00 H new ATOM 0 HD22 LEU A 47 4.961 2.688 -0.413 1.00 10.00 H new ATOM 0 HD23 LEU A 47 3.927 1.240 -0.431 1.00 10.00 H new ATOM 472 N LYS A 48 0.814 4.208 -3.561 1.00 10.00 N ATOM 473 CA LYS A 48 -0.622 4.435 -3.527 1.00 10.00 C ATOM 474 C LYS A 48 -1.220 4.522 -4.929 1.00 10.00 C ATOM 475 O LYS A 48 -2.290 3.968 -5.186 1.00 10.00 O ATOM 476 CB LYS A 48 -0.929 5.711 -2.742 1.00 10.00 C ATOM 477 CG LYS A 48 -0.384 5.690 -1.323 1.00 10.00 C ATOM 478 CD LYS A 48 -0.640 7.001 -0.597 1.00 10.00 C ATOM 479 CE LYS A 48 -2.105 7.154 -0.228 1.00 10.00 C ATOM 480 NZ LYS A 48 -2.349 8.365 0.594 1.00 10.00 N ATOM 0 H LYS A 48 1.365 4.955 -3.139 1.00 10.00 H new ATOM 0 HA LYS A 48 -1.081 3.581 -3.029 1.00 10.00 H new ATOM 0 HB2 LYS A 48 -0.509 6.566 -3.272 1.00 10.00 H new ATOM 0 HB3 LYS A 48 -2.009 5.857 -2.707 1.00 10.00 H new ATOM 0 HG2 LYS A 48 -0.845 4.872 -0.769 1.00 10.00 H new ATOM 0 HG3 LYS A 48 0.688 5.493 -1.349 1.00 10.00 H new ATOM 0 HD2 LYS A 48 -0.030 7.044 0.305 1.00 10.00 H new ATOM 0 HD3 LYS A 48 -0.334 7.834 -1.229 1.00 10.00 H new ATOM 0 HE2 LYS A 48 -2.704 7.207 -1.137 1.00 10.00 H new ATOM 0 HE3 LYS A 48 -2.435 6.271 0.320 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 -3.315 8.712 0.423 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 -2.239 8.129 1.601 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 -1.665 9.104 0.335 1.00 10.00 H new ATOM 494 N GLU A 49 -0.524 5.198 -5.840 1.00 10.00 N ATOM 495 CA GLU A 49 -1.024 5.351 -7.204 1.00 10.00 C ATOM 496 C GLU A 49 -1.003 4.019 -7.960 1.00 10.00 C ATOM 497 O GLU A 49 -1.931 3.715 -8.708 1.00 10.00 O ATOM 498 CB GLU A 49 -0.231 6.428 -7.964 1.00 10.00 C ATOM 499 CG GLU A 49 1.082 5.951 -8.563 1.00 10.00 C ATOM 500 CD GLU A 49 1.803 7.041 -9.327 1.00 10.00 C ATOM 501 OE1 GLU A 49 1.208 7.605 -10.268 1.00 10.00 O ATOM 502 OE2 GLU A 49 2.967 7.343 -8.992 1.00 10.00 O ATOM 0 H GLU A 49 0.376 5.643 -5.662 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.062 5.678 -7.140 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -0.857 6.823 -8.764 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -0.025 7.254 -7.284 1.00 10.00 H new ATOM 0 HG2 GLU A 49 1.728 5.583 -7.766 1.00 10.00 H new ATOM 0 HG3 GLU A 49 0.889 5.111 -9.231 1.00 10.00 H new ATOM 509 N SER A 50 0.029 3.214 -7.731 1.00 10.00 N ATOM 510 CA SER A 50 0.155 1.923 -8.400 1.00 10.00 C ATOM 511 C SER A 50 -0.955 0.972 -7.966 1.00 10.00 C ATOM 512 O SER A 50 -1.456 0.180 -8.767 1.00 10.00 O ATOM 513 CB SER A 50 1.525 1.315 -8.113 1.00 10.00 C ATOM 514 OG SER A 50 2.560 2.192 -8.529 1.00 10.00 O ATOM 0 H SER A 50 0.790 3.432 -7.088 1.00 10.00 H new ATOM 0 HA SER A 50 0.059 2.082 -9.474 1.00 10.00 H new ATOM 0 HB2 SER A 50 1.621 1.111 -7.047 1.00 10.00 H new ATOM 0 HB3 SER A 50 1.620 0.360 -8.631 1.00 10.00 H new ATOM 0 HG SER A 50 2.644 2.927 -7.886 1.00 10.00 H new ATOM 520 N TYR A 51 -1.347 1.061 -6.698 1.00 10.00 N ATOM 521 CA TYR A 51 -2.414 0.223 -6.172 1.00 10.00 C ATOM 522 C TYR A 51 -3.712 0.515 -6.917 1.00 10.00 C ATOM 523 O TYR A 51 -4.446 -0.398 -7.297 1.00 10.00 O ATOM 524 CB TYR A 51 -2.602 0.467 -4.672 1.00 10.00 C ATOM 525 CG TYR A 51 -3.750 -0.315 -4.067 1.00 10.00 C ATOM 526 CD1 TYR A 51 -3.661 -1.690 -3.898 1.00 10.00 C ATOM 527 CD2 TYR A 51 -4.920 0.322 -3.668 1.00 10.00 C ATOM 528 CE1 TYR A 51 -4.705 -2.410 -3.346 1.00 10.00 C ATOM 529 CE2 TYR A 51 -5.966 -0.391 -3.115 1.00 10.00 C ATOM 530 CZ TYR A 51 -5.854 -1.755 -2.957 1.00 10.00 C ATOM 531 OH TYR A 51 -6.895 -2.470 -2.407 1.00 10.00 O ATOM 0 H TYR A 51 -0.941 1.705 -6.019 1.00 10.00 H new ATOM 0 HA TYR A 51 -2.142 -0.822 -6.318 1.00 10.00 H new ATOM 0 HB2 TYR A 51 -1.681 0.204 -4.152 1.00 10.00 H new ATOM 0 HB3 TYR A 51 -2.770 1.531 -4.504 1.00 10.00 H new ATOM 0 HD1 TYR A 51 -2.762 -2.206 -4.202 1.00 10.00 H new ATOM 0 HD2 TYR A 51 -5.012 1.391 -3.792 1.00 10.00 H new ATOM 0 HE1 TYR A 51 -4.621 -3.479 -3.220 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -6.867 0.118 -2.808 1.00 10.00 H new ATOM 0 HH TYR A 51 -7.630 -1.860 -2.186 1.00 10.00 H new ATOM 541 N CYS A 52 -3.965 1.799 -7.149 1.00 10.00 N ATOM 542 CA CYS A 52 -5.162 2.234 -7.853 1.00 10.00 C ATOM 543 C CYS A 52 -5.189 1.677 -9.274 1.00 10.00 C ATOM 544 O CYS A 52 -6.239 1.279 -9.778 1.00 10.00 O ATOM 545 CB CYS A 52 -5.223 3.762 -7.889 1.00 10.00 C ATOM 546 SG CYS A 52 -4.968 4.552 -6.280 1.00 10.00 S ATOM 0 H CYS A 52 -3.351 2.560 -6.857 1.00 10.00 H new ATOM 0 HA CYS A 52 -6.032 1.853 -7.318 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -4.468 4.128 -8.585 1.00 10.00 H new ATOM 0 HB3 CYS A 52 -6.193 4.067 -8.281 1.00 10.00 H new ATOM 0 HG CYS A 52 -3.787 4.247 -5.829 1.00 10.00 H new ATOM 552 N GLN A 53 -4.020 1.630 -9.903 1.00 10.00 N ATOM 553 CA GLN A 53 -3.899 1.125 -11.267 1.00 10.00 C ATOM 554 C GLN A 53 -4.273 -0.351 -11.341 1.00 10.00 C ATOM 555 O GLN A 53 -5.014 -0.767 -12.231 1.00 10.00 O ATOM 556 CB GLN A 53 -2.472 1.317 -11.786 1.00 10.00 C ATOM 557 CG GLN A 53 -1.971 2.747 -11.690 1.00 10.00 C ATOM 558 CD GLN A 53 -0.531 2.893 -12.141 1.00 10.00 C ATOM 559 OE1 GLN A 53 0.255 1.946 -12.077 1.00 10.00 O ATOM 560 NE2 GLN A 53 -0.169 4.086 -12.584 1.00 10.00 N ATOM 0 H GLN A 53 -3.140 1.936 -9.489 1.00 10.00 H new ATOM 0 HA GLN A 53 -4.589 1.692 -11.892 1.00 10.00 H new ATOM 0 HB2 GLN A 53 -1.801 0.668 -11.223 1.00 10.00 H new ATOM 0 HB3 GLN A 53 -2.428 0.996 -12.827 1.00 10.00 H new ATOM 0 HG2 GLN A 53 -2.605 3.392 -12.298 1.00 10.00 H new ATOM 0 HG3 GLN A 53 -2.062 3.091 -10.660 1.00 10.00 H new ATOM 0 HE21 GLN A 53 -0.850 4.844 -12.621 1.00 10.00 H new ATOM 0 HE22 GLN A 53 0.791 4.247 -12.888 1.00 10.00 H new ATOM 569 N ARG A 54 -3.769 -1.136 -10.398 1.00 10.00 N ATOM 570 CA ARG A 54 -4.045 -2.568 -10.372 1.00 10.00 C ATOM 571 C ARG A 54 -5.510 -2.848 -10.035 1.00 10.00 C ATOM 572 O ARG A 54 -6.085 -3.831 -10.504 1.00 10.00 O ATOM 573 CB ARG A 54 -3.124 -3.280 -9.375 1.00 10.00 C ATOM 574 CG ARG A 54 -3.339 -4.787 -9.327 1.00 10.00 C ATOM 575 CD ARG A 54 -2.140 -5.522 -8.750 1.00 10.00 C ATOM 576 NE ARG A 54 -2.372 -6.965 -8.703 1.00 10.00 N ATOM 577 CZ ARG A 54 -1.516 -7.880 -9.161 1.00 10.00 C ATOM 578 NH1 ARG A 54 -0.359 -7.513 -9.705 1.00 10.00 N ATOM 579 NH2 ARG A 54 -1.831 -9.165 -9.100 1.00 10.00 N ATOM 0 H ARG A 54 -3.168 -0.807 -9.642 1.00 10.00 H new ATOM 0 HA ARG A 54 -3.848 -2.959 -11.370 1.00 10.00 H new ATOM 0 HB2 ARG A 54 -2.086 -3.076 -9.640 1.00 10.00 H new ATOM 0 HB3 ARG A 54 -3.287 -2.865 -8.380 1.00 10.00 H new ATOM 0 HG2 ARG A 54 -4.221 -5.007 -8.726 1.00 10.00 H new ATOM 0 HG3 ARG A 54 -3.539 -5.156 -10.333 1.00 10.00 H new ATOM 0 HD2 ARG A 54 -1.258 -5.313 -9.355 1.00 10.00 H new ATOM 0 HD3 ARG A 54 -1.933 -5.152 -7.746 1.00 10.00 H new ATOM 0 HE ARG A 54 -3.246 -7.294 -8.293 1.00 10.00 H new ATOM 0 HH11 ARG A 54 -0.119 -6.524 -9.775 1.00 10.00 H new ATOM 0 HH12 ARG A 54 0.289 -8.221 -10.052 1.00 10.00 H new ATOM 0 HH21 ARG A 54 -2.726 -9.452 -8.704 1.00 10.00 H new ATOM 0 HH22 ARG A 54 -1.179 -9.867 -9.449 1.00 10.00 H new ATOM 593 N GLN A 55 -6.115 -1.982 -9.231 1.00 10.00 N ATOM 594 CA GLN A 55 -7.512 -2.159 -8.844 1.00 10.00 C ATOM 595 C GLN A 55 -8.455 -1.620 -9.918 1.00 10.00 C ATOM 596 O GLN A 55 -9.627 -1.998 -9.980 1.00 10.00 O ATOM 597 CB GLN A 55 -7.791 -1.471 -7.507 1.00 10.00 C ATOM 598 CG GLN A 55 -6.978 -2.028 -6.347 1.00 10.00 C ATOM 599 CD GLN A 55 -7.070 -3.538 -6.228 1.00 10.00 C ATOM 600 OE1 GLN A 55 -6.254 -4.269 -6.790 1.00 10.00 O ATOM 601 NE2 GLN A 55 -8.062 -4.014 -5.496 1.00 10.00 N ATOM 0 H GLN A 55 -5.666 -1.156 -8.836 1.00 10.00 H new ATOM 0 HA GLN A 55 -7.693 -3.228 -8.735 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -7.582 -0.406 -7.607 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -8.852 -1.567 -7.274 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -5.934 -1.742 -6.472 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -7.323 -1.574 -5.418 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -8.717 -3.374 -5.047 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -8.173 -5.021 -5.380 1.00 10.00 H new ATOM 610 N GLY A 56 -7.939 -0.739 -10.761 1.00 10.00 N ATOM 611 CA GLY A 56 -8.741 -0.165 -11.820 1.00 10.00 C ATOM 612 C GLY A 56 -9.588 0.994 -11.336 1.00 10.00 C ATOM 613 O GLY A 56 -10.750 1.126 -11.724 1.00 10.00 O ATOM 0 H GLY A 56 -6.974 -0.410 -10.730 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -8.088 0.176 -12.623 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -9.388 -0.935 -12.240 1.00 10.00 H new ATOM 617 N VAL A 57 -9.008 1.829 -10.484 1.00 10.00 N ATOM 618 CA VAL A 57 -9.702 2.986 -9.930 1.00 10.00 C ATOM 619 C VAL A 57 -8.769 4.192 -9.900 1.00 10.00 C ATOM 620 O VAL A 57 -7.553 4.037 -9.991 1.00 10.00 O ATOM 621 CB VAL A 57 -10.213 2.707 -8.494 1.00 10.00 C ATOM 622 CG1 VAL A 57 -11.446 1.815 -8.513 1.00 10.00 C ATOM 623 CG2 VAL A 57 -9.117 2.082 -7.641 1.00 10.00 C ATOM 0 H VAL A 57 -8.047 1.725 -10.158 1.00 10.00 H new ATOM 0 HA VAL A 57 -10.559 3.192 -10.571 1.00 10.00 H new ATOM 0 HB VAL A 57 -10.493 3.662 -8.050 1.00 10.00 H new ATOM 0 HG11 VAL A 57 -11.782 1.637 -7.491 1.00 10.00 H new ATOM 0 HG12 VAL A 57 -12.241 2.305 -9.076 1.00 10.00 H new ATOM 0 HG13 VAL A 57 -11.200 0.864 -8.985 1.00 10.00 H new ATOM 0 HG21 VAL A 57 -9.499 1.895 -6.637 1.00 10.00 H new ATOM 0 HG22 VAL A 57 -8.799 1.141 -8.089 1.00 10.00 H new ATOM 0 HG23 VAL A 57 -8.267 2.762 -7.585 1.00 10.00 H new ATOM 633 N PRO A 58 -9.318 5.413 -9.809 1.00 10.00 N ATOM 634 CA PRO A 58 -8.505 6.628 -9.743 1.00 10.00 C ATOM 635 C PRO A 58 -7.871 6.799 -8.364 1.00 10.00 C ATOM 636 O PRO A 58 -8.159 6.031 -7.446 1.00 10.00 O ATOM 637 CB PRO A 58 -9.518 7.743 -10.013 1.00 10.00 C ATOM 638 CG PRO A 58 -10.820 7.196 -9.542 1.00 10.00 C ATOM 639 CD PRO A 58 -10.767 5.712 -9.782 1.00 10.00 C ATOM 0 HA PRO A 58 -7.674 6.617 -10.449 1.00 10.00 H new ATOM 0 HB2 PRO A 58 -9.255 8.655 -9.477 1.00 10.00 H new ATOM 0 HB3 PRO A 58 -9.555 7.996 -11.073 1.00 10.00 H new ATOM 0 HG2 PRO A 58 -10.973 7.414 -8.485 1.00 10.00 H new ATOM 0 HG3 PRO A 58 -11.650 7.648 -10.084 1.00 10.00 H new ATOM 0 HD2 PRO A 58 -11.275 5.160 -8.991 1.00 10.00 H new ATOM 0 HD3 PRO A 58 -11.250 5.441 -10.721 1.00 10.00 H new ATOM 647 N MET A 59 -7.016 7.798 -8.213 1.00 10.00 N ATOM 648 CA MET A 59 -6.359 8.043 -6.934 1.00 10.00 C ATOM 649 C MET A 59 -7.320 8.730 -5.968 1.00 10.00 C ATOM 650 O MET A 59 -8.296 9.351 -6.400 1.00 10.00 O ATOM 651 CB MET A 59 -5.098 8.890 -7.125 1.00 10.00 C ATOM 652 CG MET A 59 -4.032 8.621 -6.076 1.00 10.00 C ATOM 653 SD MET A 59 -2.512 9.539 -6.382 1.00 10.00 S ATOM 654 CE MET A 59 -1.447 8.848 -5.121 1.00 10.00 C ATOM 0 H MET A 59 -6.760 8.450 -8.954 1.00 10.00 H new ATOM 0 HA MET A 59 -6.064 7.083 -6.510 1.00 10.00 H new ATOM 0 HB2 MET A 59 -4.683 8.695 -8.114 1.00 10.00 H new ATOM 0 HB3 MET A 59 -5.369 9.945 -7.096 1.00 10.00 H new ATOM 0 HG2 MET A 59 -4.420 8.886 -5.093 1.00 10.00 H new ATOM 0 HG3 MET A 59 -3.810 7.554 -6.054 1.00 10.00 H new ATOM 0 HE1 MET A 59 -0.464 9.315 -5.179 1.00 10.00 H new ATOM 0 HE2 MET A 59 -1.879 9.033 -4.138 1.00 10.00 H new ATOM 0 HE3 MET A 59 -1.348 7.774 -5.277 1.00 10.00 H new ATOM 664 N ASN A 60 -7.046 8.596 -4.668 1.00 10.00 N ATOM 665 CA ASN A 60 -7.872 9.190 -3.613 1.00 10.00 C ATOM 666 C ASN A 60 -9.242 8.510 -3.558 1.00 10.00 C ATOM 667 O ASN A 60 -10.251 9.127 -3.213 1.00 10.00 O ATOM 668 CB ASN A 60 -8.029 10.707 -3.815 1.00 10.00 C ATOM 669 CG ASN A 60 -8.254 11.459 -2.513 1.00 10.00 C ATOM 670 OD1 ASN A 60 -7.311 11.970 -1.904 1.00 10.00 O ATOM 671 ND2 ASN A 60 -9.501 11.539 -2.077 1.00 10.00 N ATOM 0 H ASN A 60 -6.244 8.072 -4.317 1.00 10.00 H new ATOM 0 HA ASN A 60 -7.366 9.031 -2.661 1.00 10.00 H new ATOM 0 HB2 ASN A 60 -7.136 11.097 -4.304 1.00 10.00 H new ATOM 0 HB3 ASN A 60 -8.868 10.894 -4.486 1.00 10.00 H new ATOM 0 HD21 ASN A 60 -9.707 12.036 -1.210 1.00 10.00 H new ATOM 0 HD22 ASN A 60 -10.256 11.104 -2.608 1.00 10.00 H new ATOM 678 N SER A 61 -9.267 7.230 -3.909 1.00 10.00 N ATOM 679 CA SER A 61 -10.500 6.455 -3.887 1.00 10.00 C ATOM 680 C SER A 61 -10.505 5.509 -2.694 1.00 10.00 C ATOM 681 O SER A 61 -11.560 5.093 -2.212 1.00 10.00 O ATOM 682 CB SER A 61 -10.648 5.662 -5.188 1.00 10.00 C ATOM 683 OG SER A 61 -9.450 4.965 -5.490 1.00 10.00 O ATOM 0 H SER A 61 -8.446 6.707 -4.213 1.00 10.00 H new ATOM 0 HA SER A 61 -11.343 7.140 -3.795 1.00 10.00 H new ATOM 0 HB2 SER A 61 -11.473 4.955 -5.097 1.00 10.00 H new ATOM 0 HB3 SER A 61 -10.897 6.338 -6.006 1.00 10.00 H new ATOM 0 HG SER A 61 -9.164 5.186 -6.401 1.00 10.00 H new ATOM 689 N LEU A 62 -9.313 5.179 -2.217 1.00 10.00 N ATOM 690 CA LEU A 62 -9.158 4.288 -1.083 1.00 10.00 C ATOM 691 C LEU A 62 -8.133 4.861 -0.116 1.00 10.00 C ATOM 692 O LEU A 62 -7.328 5.717 -0.490 1.00 10.00 O ATOM 693 CB LEU A 62 -8.722 2.893 -1.545 1.00 10.00 C ATOM 694 CG LEU A 62 -9.770 2.111 -2.345 1.00 10.00 C ATOM 695 CD1 LEU A 62 -9.340 1.966 -3.797 1.00 10.00 C ATOM 696 CD2 LEU A 62 -10.010 0.744 -1.720 1.00 10.00 C ATOM 0 H LEU A 62 -8.433 5.520 -2.604 1.00 10.00 H new ATOM 0 HA LEU A 62 -10.119 4.197 -0.578 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -7.824 2.994 -2.155 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -8.447 2.307 -0.668 1.00 10.00 H new ATOM 0 HG LEU A 62 -10.705 2.670 -2.320 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -10.098 1.408 -4.347 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -9.223 2.954 -4.242 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -8.391 1.432 -3.844 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -10.757 0.204 -2.302 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -9.078 0.179 -1.712 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -10.367 0.869 -0.698 1.00 10.00 H new ATOM 708 N ARG A 63 -8.172 4.405 1.124 1.00 10.00 N ATOM 709 CA ARG A 63 -7.241 4.876 2.138 1.00 10.00 C ATOM 710 C ARG A 63 -6.516 3.703 2.785 1.00 10.00 C ATOM 711 O ARG A 63 -7.133 2.701 3.154 1.00 10.00 O ATOM 712 CB ARG A 63 -7.975 5.699 3.203 1.00 10.00 C ATOM 713 CG ARG A 63 -9.066 4.927 3.928 1.00 10.00 C ATOM 714 CD ARG A 63 -9.756 5.775 4.984 1.00 10.00 C ATOM 715 NE ARG A 63 -10.834 5.044 5.643 1.00 10.00 N ATOM 716 CZ ARG A 63 -12.065 4.923 5.145 1.00 10.00 C ATOM 717 NH1 ARG A 63 -12.386 5.505 3.992 1.00 10.00 N ATOM 718 NH2 ARG A 63 -12.974 4.213 5.795 1.00 10.00 N ATOM 0 H ARG A 63 -8.839 3.708 1.455 1.00 10.00 H new ATOM 0 HA ARG A 63 -6.503 5.515 1.653 1.00 10.00 H new ATOM 0 HB2 ARG A 63 -7.251 6.060 3.933 1.00 10.00 H new ATOM 0 HB3 ARG A 63 -8.416 6.577 2.731 1.00 10.00 H new ATOM 0 HG2 ARG A 63 -9.803 4.576 3.206 1.00 10.00 H new ATOM 0 HG3 ARG A 63 -8.634 4.043 4.398 1.00 10.00 H new ATOM 0 HD2 ARG A 63 -9.026 6.096 5.727 1.00 10.00 H new ATOM 0 HD3 ARG A 63 -10.157 6.677 4.522 1.00 10.00 H new ATOM 0 HE ARG A 63 -10.634 4.599 6.539 1.00 10.00 H new ATOM 0 HH11 ARG A 63 -11.688 6.048 3.483 1.00 10.00 H new ATOM 0 HH12 ARG A 63 -13.330 5.408 3.617 1.00 10.00 H new ATOM 0 HH21 ARG A 63 -12.732 3.759 6.676 1.00 10.00 H new ATOM 0 HH22 ARG A 63 -13.916 4.120 5.415 1.00 10.00 H new ATOM 732 N PHE A 64 -5.204 3.828 2.899 1.00 10.00 N ATOM 733 CA PHE A 64 -4.388 2.793 3.508 1.00 10.00 C ATOM 734 C PHE A 64 -4.288 3.030 5.005 1.00 10.00 C ATOM 735 O PHE A 64 -3.813 4.078 5.442 1.00 10.00 O ATOM 736 CB PHE A 64 -2.994 2.772 2.881 1.00 10.00 C ATOM 737 CG PHE A 64 -2.942 2.043 1.570 1.00 10.00 C ATOM 738 CD1 PHE A 64 -3.179 2.714 0.382 1.00 10.00 C ATOM 739 CD2 PHE A 64 -2.655 0.688 1.529 1.00 10.00 C ATOM 740 CE1 PHE A 64 -3.131 2.047 -0.826 1.00 10.00 C ATOM 741 CE2 PHE A 64 -2.606 0.014 0.324 1.00 10.00 C ATOM 742 CZ PHE A 64 -2.844 0.695 -0.854 1.00 10.00 C ATOM 0 H PHE A 64 -4.680 4.641 2.576 1.00 10.00 H new ATOM 0 HA PHE A 64 -4.858 1.826 3.332 1.00 10.00 H new ATOM 0 HB2 PHE A 64 -2.655 3.797 2.732 1.00 10.00 H new ATOM 0 HB3 PHE A 64 -2.298 2.304 3.577 1.00 10.00 H new ATOM 0 HD1 PHE A 64 -3.404 3.770 0.401 1.00 10.00 H new ATOM 0 HD2 PHE A 64 -2.468 0.153 2.448 1.00 10.00 H new ATOM 0 HE1 PHE A 64 -3.317 2.580 -1.747 1.00 10.00 H new ATOM 0 HE2 PHE A 64 -2.382 -1.042 0.303 1.00 10.00 H new ATOM 0 HZ PHE A 64 -2.806 0.171 -1.798 1.00 10.00 H new ATOM 752 N LEU A 65 -4.743 2.064 5.783 1.00 10.00 N ATOM 753 CA LEU A 65 -4.718 2.178 7.229 1.00 10.00 C ATOM 754 C LEU A 65 -3.616 1.313 7.823 1.00 10.00 C ATOM 755 O LEU A 65 -3.609 0.091 7.659 1.00 10.00 O ATOM 756 CB LEU A 65 -6.074 1.779 7.816 1.00 10.00 C ATOM 757 CG LEU A 65 -7.255 2.635 7.354 1.00 10.00 C ATOM 758 CD1 LEU A 65 -8.554 2.106 7.935 1.00 10.00 C ATOM 759 CD2 LEU A 65 -7.048 4.091 7.746 1.00 10.00 C ATOM 0 H LEU A 65 -5.135 1.189 5.435 1.00 10.00 H new ATOM 0 HA LEU A 65 -4.513 3.218 7.484 1.00 10.00 H new ATOM 0 HB2 LEU A 65 -6.274 0.740 7.556 1.00 10.00 H new ATOM 0 HB3 LEU A 65 -6.011 1.829 8.903 1.00 10.00 H new ATOM 0 HG LEU A 65 -7.315 2.579 6.267 1.00 10.00 H new ATOM 0 HD11 LEU A 65 -9.384 2.727 7.596 1.00 10.00 H new ATOM 0 HD12 LEU A 65 -8.710 1.079 7.603 1.00 10.00 H new ATOM 0 HD13 LEU A 65 -8.503 2.132 9.023 1.00 10.00 H new ATOM 0 HD21 LEU A 65 -7.899 4.683 7.408 1.00 10.00 H new ATOM 0 HD22 LEU A 65 -6.960 4.167 8.830 1.00 10.00 H new ATOM 0 HD23 LEU A 65 -6.137 4.467 7.281 1.00 10.00 H new ATOM 771 N PHE A 66 -2.684 1.959 8.503 1.00 10.00 N ATOM 772 CA PHE A 66 -1.576 1.271 9.132 1.00 10.00 C ATOM 773 C PHE A 66 -1.479 1.692 10.591 1.00 10.00 C ATOM 774 O PHE A 66 -1.256 2.867 10.888 1.00 10.00 O ATOM 775 CB PHE A 66 -0.272 1.586 8.399 1.00 10.00 C ATOM 776 CG PHE A 66 0.919 0.854 8.942 1.00 10.00 C ATOM 777 CD1 PHE A 66 1.065 -0.506 8.736 1.00 10.00 C ATOM 778 CD2 PHE A 66 1.894 1.527 9.657 1.00 10.00 C ATOM 779 CE1 PHE A 66 2.160 -1.182 9.233 1.00 10.00 C ATOM 780 CE2 PHE A 66 2.994 0.857 10.157 1.00 10.00 C ATOM 781 CZ PHE A 66 3.126 -0.499 9.945 1.00 10.00 C ATOM 0 H PHE A 66 -2.676 2.971 8.633 1.00 10.00 H new ATOM 0 HA PHE A 66 -1.746 0.196 9.082 1.00 10.00 H new ATOM 0 HB2 PHE A 66 -0.390 1.338 7.344 1.00 10.00 H new ATOM 0 HB3 PHE A 66 -0.084 2.658 8.455 1.00 10.00 H new ATOM 0 HD1 PHE A 66 0.313 -1.045 8.179 1.00 10.00 H new ATOM 0 HD2 PHE A 66 1.794 2.589 9.826 1.00 10.00 H new ATOM 0 HE1 PHE A 66 2.262 -2.244 9.065 1.00 10.00 H new ATOM 0 HE2 PHE A 66 3.749 1.394 10.713 1.00 10.00 H new ATOM 0 HZ PHE A 66 3.984 -1.026 10.335 1.00 10.00 H new ATOM 791 N GLU A 67 -1.694 0.736 11.490 1.00 10.00 N ATOM 792 CA GLU A 67 -1.636 0.985 12.931 1.00 10.00 C ATOM 793 C GLU A 67 -2.689 2.005 13.369 1.00 10.00 C ATOM 794 O GLU A 67 -2.525 2.689 14.380 1.00 10.00 O ATOM 795 CB GLU A 67 -0.236 1.444 13.344 1.00 10.00 C ATOM 796 CG GLU A 67 0.758 0.303 13.475 1.00 10.00 C ATOM 797 CD GLU A 67 0.386 -0.659 14.584 1.00 10.00 C ATOM 798 OE1 GLU A 67 -0.398 -1.600 14.330 1.00 10.00 O ATOM 799 OE2 GLU A 67 0.872 -0.478 15.718 1.00 10.00 O ATOM 0 H GLU A 67 -1.913 -0.229 11.244 1.00 10.00 H new ATOM 0 HA GLU A 67 -1.857 0.045 13.437 1.00 10.00 H new ATOM 0 HB2 GLU A 67 0.136 2.158 12.609 1.00 10.00 H new ATOM 0 HB3 GLU A 67 -0.300 1.971 14.296 1.00 10.00 H new ATOM 0 HG2 GLU A 67 0.813 -0.238 12.531 1.00 10.00 H new ATOM 0 HG3 GLU A 67 1.751 0.709 13.667 1.00 10.00 H new ATOM 806 N GLY A 68 -3.767 2.102 12.600 1.00 10.00 N ATOM 807 CA GLY A 68 -4.837 3.026 12.931 1.00 10.00 C ATOM 808 C GLY A 68 -4.664 4.392 12.301 1.00 10.00 C ATOM 809 O GLY A 68 -5.520 5.261 12.453 1.00 10.00 O ATOM 0 H GLY A 68 -3.920 1.557 11.752 1.00 10.00 H new ATOM 0 HA2 GLY A 68 -5.787 2.602 12.607 1.00 10.00 H new ATOM 0 HA3 GLY A 68 -4.890 3.137 14.014 1.00 10.00 H new ATOM 813 N GLN A 69 -3.558 4.594 11.606 1.00 10.00 N ATOM 814 CA GLN A 69 -3.295 5.869 10.958 1.00 10.00 C ATOM 815 C GLN A 69 -3.311 5.703 9.448 1.00 10.00 C ATOM 816 O GLN A 69 -2.834 4.694 8.924 1.00 10.00 O ATOM 817 CB GLN A 69 -1.949 6.435 11.416 1.00 10.00 C ATOM 818 CG GLN A 69 -1.865 6.646 12.919 1.00 10.00 C ATOM 819 CD GLN A 69 -0.606 7.370 13.349 1.00 10.00 C ATOM 820 OE1 GLN A 69 0.444 7.260 12.712 1.00 10.00 O ATOM 821 NE2 GLN A 69 -0.703 8.118 14.436 1.00 10.00 N ATOM 0 H GLN A 69 -2.828 3.893 11.476 1.00 10.00 H new ATOM 0 HA GLN A 69 -4.079 6.571 11.242 1.00 10.00 H new ATOM 0 HB2 GLN A 69 -1.154 5.757 11.106 1.00 10.00 H new ATOM 0 HB3 GLN A 69 -1.772 7.385 10.912 1.00 10.00 H new ATOM 0 HG2 GLN A 69 -2.734 7.215 13.249 1.00 10.00 H new ATOM 0 HG3 GLN A 69 -1.909 5.678 13.419 1.00 10.00 H new ATOM 0 HE21 GLN A 69 -1.591 8.182 14.934 1.00 10.00 H new ATOM 0 HE22 GLN A 69 0.110 8.631 14.776 1.00 10.00 H new ATOM 830 N ARG A 70 -3.884 6.674 8.750 1.00 10.00 N ATOM 831 CA ARG A 70 -3.948 6.614 7.300 1.00 10.00 C ATOM 832 C ARG A 70 -2.638 7.101 6.693 1.00 10.00 C ATOM 833 O ARG A 70 -2.147 8.184 7.015 1.00 10.00 O ATOM 834 CB ARG A 70 -5.140 7.417 6.759 1.00 10.00 C ATOM 835 CG ARG A 70 -5.120 8.897 7.114 1.00 10.00 C ATOM 836 CD ARG A 70 -6.370 9.601 6.608 1.00 10.00 C ATOM 837 NE ARG A 70 -6.395 9.696 5.148 1.00 10.00 N ATOM 838 CZ ARG A 70 -7.453 9.403 4.389 1.00 10.00 C ATOM 839 NH1 ARG A 70 -8.591 8.990 4.945 1.00 10.00 N ATOM 840 NH2 ARG A 70 -7.376 9.528 3.073 1.00 10.00 N ATOM 0 H ARG A 70 -4.307 7.505 9.162 1.00 10.00 H new ATOM 0 HA ARG A 70 -4.098 5.574 7.009 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -5.166 7.317 5.674 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -6.061 6.977 7.142 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -5.046 9.013 8.195 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -4.236 9.365 6.682 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -7.253 9.062 6.951 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -6.421 10.602 7.037 1.00 10.00 H new ATOM 0 HE ARG A 70 -5.545 10.008 4.678 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -8.659 8.896 5.958 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -9.395 8.768 4.357 1.00 10.00 H new ATOM 0 HH21 ARG A 70 -6.509 9.848 2.641 1.00 10.00 H new ATOM 0 HH22 ARG A 70 -8.184 9.305 2.491 1.00 10.00 H new ATOM 854 N ILE A 71 -2.072 6.274 5.832 1.00 10.00 N ATOM 855 CA ILE A 71 -0.816 6.586 5.174 1.00 10.00 C ATOM 856 C ILE A 71 -0.967 7.769 4.222 1.00 10.00 C ATOM 857 O ILE A 71 -1.849 7.780 3.357 1.00 10.00 O ATOM 858 CB ILE A 71 -0.283 5.362 4.395 1.00 10.00 C ATOM 859 CG1 ILE A 71 -0.052 4.180 5.344 1.00 10.00 C ATOM 860 CG2 ILE A 71 0.999 5.707 3.653 1.00 10.00 C ATOM 861 CD1 ILE A 71 1.018 4.431 6.388 1.00 10.00 C ATOM 0 H ILE A 71 -2.468 5.371 5.570 1.00 10.00 H new ATOM 0 HA ILE A 71 -0.101 6.853 5.953 1.00 10.00 H new ATOM 0 HB ILE A 71 -1.034 5.075 3.659 1.00 10.00 H new ATOM 0 HG12 ILE A 71 -0.989 3.943 5.848 1.00 10.00 H new ATOM 0 HG13 ILE A 71 0.225 3.304 4.757 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.354 4.829 3.113 1.00 10.00 H new ATOM 0 HG22 ILE A 71 0.805 6.514 2.947 1.00 10.00 H new ATOM 0 HG23 ILE A 71 1.758 6.025 4.367 1.00 10.00 H new ATOM 0 HD11 ILE A 71 1.123 3.550 7.021 1.00 10.00 H new ATOM 0 HD12 ILE A 71 1.967 4.638 5.894 1.00 10.00 H new ATOM 0 HD13 ILE A 71 0.734 5.286 7.001 1.00 10.00 H new ATOM 873 N ALA A 72 -0.109 8.763 4.391 1.00 10.00 N ATOM 874 CA ALA A 72 -0.133 9.946 3.548 1.00 10.00 C ATOM 875 C ALA A 72 0.596 9.675 2.235 1.00 10.00 C ATOM 876 O ALA A 72 0.887 8.526 1.908 1.00 10.00 O ATOM 877 CB ALA A 72 0.485 11.131 4.275 1.00 10.00 C ATOM 0 H ALA A 72 0.616 8.773 5.109 1.00 10.00 H new ATOM 0 HA ALA A 72 -1.170 10.191 3.320 1.00 10.00 H new ATOM 0 HB1 ALA A 72 0.459 12.008 3.629 1.00 10.00 H new ATOM 0 HB2 ALA A 72 -0.079 11.334 5.185 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.519 10.901 4.532 1.00 10.00 H new ATOM 883 N ASP A 73 0.888 10.723 1.484 1.00 10.00 N ATOM 884 CA ASP A 73 1.574 10.570 0.207 1.00 10.00 C ATOM 885 C ASP A 73 3.047 10.939 0.334 1.00 10.00 C ATOM 886 O ASP A 73 3.856 10.623 -0.538 1.00 10.00 O ATOM 887 CB ASP A 73 0.902 11.436 -0.867 1.00 10.00 C ATOM 888 CG ASP A 73 -0.407 10.847 -1.364 1.00 10.00 C ATOM 889 OD1 ASP A 73 -1.276 10.519 -0.528 1.00 10.00 O ATOM 890 OD2 ASP A 73 -0.581 10.726 -2.594 1.00 10.00 O ATOM 0 H ASP A 73 0.663 11.686 1.733 1.00 10.00 H new ATOM 0 HA ASP A 73 1.507 9.524 -0.091 1.00 10.00 H new ATOM 0 HB2 ASP A 73 0.717 12.431 -0.462 1.00 10.00 H new ATOM 0 HB3 ASP A 73 1.584 11.557 -1.709 1.00 10.00 H new ATOM 895 N ASN A 74 3.391 11.603 1.429 1.00 10.00 N ATOM 896 CA ASN A 74 4.766 12.027 1.671 1.00 10.00 C ATOM 897 C ASN A 74 5.469 11.095 2.653 1.00 10.00 C ATOM 898 O ASN A 74 6.660 11.251 2.921 1.00 10.00 O ATOM 899 CB ASN A 74 4.797 13.462 2.210 1.00 10.00 C ATOM 900 CG ASN A 74 4.273 13.563 3.635 1.00 10.00 C ATOM 901 OD1 ASN A 74 3.084 13.371 3.887 1.00 10.00 O ATOM 902 ND2 ASN A 74 5.156 13.872 4.574 1.00 10.00 N ATOM 0 H ASN A 74 2.736 11.861 2.167 1.00 10.00 H new ATOM 0 HA ASN A 74 5.295 11.988 0.719 1.00 10.00 H new ATOM 0 HB2 ASN A 74 5.820 13.837 2.175 1.00 10.00 H new ATOM 0 HB3 ASN A 74 4.200 14.103 1.561 1.00 10.00 H new ATOM 0 HD21 ASN A 74 4.858 13.958 5.546 1.00 10.00 H new ATOM 0 HD22 ASN A 74 6.133 14.024 4.325 1.00 10.00 H new ATOM 909 N HIS A 75 4.731 10.123 3.173 1.00 10.00 N ATOM 910 CA HIS A 75 5.275 9.172 4.138 1.00 10.00 C ATOM 911 C HIS A 75 6.318 8.255 3.498 1.00 10.00 C ATOM 912 O HIS A 75 6.348 8.083 2.278 1.00 10.00 O ATOM 913 CB HIS A 75 4.152 8.324 4.742 1.00 10.00 C ATOM 914 CG HIS A 75 3.361 9.023 5.809 1.00 10.00 C ATOM 915 ND1 HIS A 75 2.165 8.513 6.259 1.00 10.00 N ATOM 916 CD2 HIS A 75 3.635 10.168 6.485 1.00 10.00 C ATOM 917 CE1 HIS A 75 1.742 9.348 7.194 1.00 10.00 C ATOM 918 NE2 HIS A 75 2.599 10.361 7.362 1.00 10.00 N ATOM 0 H HIS A 75 3.749 9.971 2.942 1.00 10.00 H new ATOM 0 HA HIS A 75 5.762 9.749 4.925 1.00 10.00 H new ATOM 0 HB2 HIS A 75 3.475 8.017 3.945 1.00 10.00 H new ATOM 0 HB3 HIS A 75 4.583 7.415 5.161 1.00 10.00 H new ATOM 0 HD2 HIS A 75 4.500 10.802 6.357 1.00 10.00 H new ATOM 0 HE1 HIS A 75 0.824 9.227 7.750 1.00 10.00 H new ATOM 0 HE2 HIS A 75 2.500 11.134 8.020 1.00 10.00 H new ATOM 926 N THR A 76 7.179 7.687 4.330 1.00 10.00 N ATOM 927 CA THR A 76 8.210 6.773 3.867 1.00 10.00 C ATOM 928 C THR A 76 8.011 5.397 4.505 1.00 10.00 C ATOM 929 O THR A 76 7.463 5.301 5.600 1.00 10.00 O ATOM 930 CB THR A 76 9.623 7.299 4.205 1.00 10.00 C ATOM 931 OG1 THR A 76 9.713 7.627 5.598 1.00 10.00 O ATOM 932 CG2 THR A 76 9.958 8.523 3.369 1.00 10.00 C ATOM 0 H THR A 76 7.182 7.846 5.338 1.00 10.00 H new ATOM 0 HA THR A 76 8.125 6.694 2.783 1.00 10.00 H new ATOM 0 HB THR A 76 10.340 6.511 3.975 1.00 10.00 H new ATOM 0 HG1 THR A 76 9.146 8.403 5.789 1.00 10.00 H new ATOM 0 HG21 THR A 76 10.957 8.876 3.624 1.00 10.00 H new ATOM 0 HG22 THR A 76 9.925 8.261 2.311 1.00 10.00 H new ATOM 0 HG23 THR A 76 9.233 9.311 3.571 1.00 10.00 H new ATOM 940 N PRO A 77 8.438 4.315 3.835 1.00 10.00 N ATOM 941 CA PRO A 77 8.290 2.948 4.360 1.00 10.00 C ATOM 942 C PRO A 77 9.199 2.668 5.561 1.00 10.00 C ATOM 943 O PRO A 77 9.081 1.634 6.217 1.00 10.00 O ATOM 944 CB PRO A 77 8.690 2.054 3.175 1.00 10.00 C ATOM 945 CG PRO A 77 8.736 2.955 1.985 1.00 10.00 C ATOM 946 CD PRO A 77 9.074 4.318 2.510 1.00 10.00 C ATOM 0 HA PRO A 77 7.278 2.773 4.725 1.00 10.00 H new ATOM 0 HB2 PRO A 77 9.658 1.585 3.348 1.00 10.00 H new ATOM 0 HB3 PRO A 77 7.968 1.250 3.030 1.00 10.00 H new ATOM 0 HG2 PRO A 77 9.484 2.617 1.268 1.00 10.00 H new ATOM 0 HG3 PRO A 77 7.778 2.964 1.465 1.00 10.00 H new ATOM 0 HD2 PRO A 77 10.151 4.471 2.577 1.00 10.00 H new ATOM 0 HD3 PRO A 77 8.679 5.108 1.872 1.00 10.00 H new ATOM 954 N LYS A 78 10.107 3.589 5.842 1.00 10.00 N ATOM 955 CA LYS A 78 11.031 3.429 6.956 1.00 10.00 C ATOM 956 C LYS A 78 10.449 4.012 8.247 1.00 10.00 C ATOM 957 O LYS A 78 10.723 3.514 9.341 1.00 10.00 O ATOM 958 CB LYS A 78 12.378 4.086 6.620 1.00 10.00 C ATOM 959 CG LYS A 78 13.393 4.064 7.760 1.00 10.00 C ATOM 960 CD LYS A 78 13.678 2.648 8.253 1.00 10.00 C ATOM 961 CE LYS A 78 14.382 1.807 7.200 1.00 10.00 C ATOM 962 NZ LYS A 78 14.723 0.452 7.708 1.00 10.00 N ATOM 0 H LYS A 78 10.225 4.455 5.315 1.00 10.00 H new ATOM 0 HA LYS A 78 11.191 2.363 7.119 1.00 10.00 H new ATOM 0 HB2 LYS A 78 12.809 3.580 5.756 1.00 10.00 H new ATOM 0 HB3 LYS A 78 12.201 5.121 6.328 1.00 10.00 H new ATOM 0 HG2 LYS A 78 14.323 4.524 7.425 1.00 10.00 H new ATOM 0 HG3 LYS A 78 13.020 4.667 8.588 1.00 10.00 H new ATOM 0 HD2 LYS A 78 14.294 2.694 9.151 1.00 10.00 H new ATOM 0 HD3 LYS A 78 12.741 2.167 8.534 1.00 10.00 H new ATOM 0 HE2 LYS A 78 13.743 1.715 6.322 1.00 10.00 H new ATOM 0 HE3 LYS A 78 15.292 2.314 6.880 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 15.201 -0.089 6.960 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 15.354 0.538 8.530 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 13.852 -0.042 7.990 1.00 10.00 H new ATOM 976 N GLU A 79 9.629 5.045 8.119 1.00 10.00 N ATOM 977 CA GLU A 79 9.030 5.683 9.284 1.00 10.00 C ATOM 978 C GLU A 79 7.787 4.923 9.746 1.00 10.00 C ATOM 979 O GLU A 79 7.356 3.966 9.091 1.00 10.00 O ATOM 980 CB GLU A 79 8.675 7.136 8.971 1.00 10.00 C ATOM 981 CG GLU A 79 7.510 7.286 8.011 1.00 10.00 C ATOM 982 CD GLU A 79 7.253 8.724 7.640 1.00 10.00 C ATOM 983 OE1 GLU A 79 6.536 9.415 8.385 1.00 10.00 O ATOM 984 OE2 GLU A 79 7.779 9.171 6.598 1.00 10.00 O ATOM 0 H GLU A 79 9.364 5.458 7.225 1.00 10.00 H new ATOM 0 HA GLU A 79 9.761 5.665 10.093 1.00 10.00 H new ATOM 0 HB2 GLU A 79 8.436 7.651 9.902 1.00 10.00 H new ATOM 0 HB3 GLU A 79 9.549 7.631 8.548 1.00 10.00 H new ATOM 0 HG2 GLU A 79 7.711 6.711 7.107 1.00 10.00 H new ATOM 0 HG3 GLU A 79 6.613 6.865 8.464 1.00 10.00 H new ATOM 991 N LEU A 80 7.231 5.358 10.879 1.00 10.00 N ATOM 992 CA LEU A 80 6.035 4.757 11.483 1.00 10.00 C ATOM 993 C LEU A 80 6.352 3.405 12.120 1.00 10.00 C ATOM 994 O LEU A 80 6.044 3.175 13.291 1.00 10.00 O ATOM 995 CB LEU A 80 4.897 4.619 10.461 1.00 10.00 C ATOM 996 CG LEU A 80 3.565 5.251 10.879 1.00 10.00 C ATOM 997 CD1 LEU A 80 2.632 5.361 9.684 1.00 10.00 C ATOM 998 CD2 LEU A 80 2.911 4.441 11.990 1.00 10.00 C ATOM 0 H LEU A 80 7.601 6.146 11.410 1.00 10.00 H new ATOM 0 HA LEU A 80 5.700 5.432 12.270 1.00 10.00 H new ATOM 0 HB2 LEU A 80 5.217 5.071 9.522 1.00 10.00 H new ATOM 0 HB3 LEU A 80 4.733 3.559 10.265 1.00 10.00 H new ATOM 0 HG LEU A 80 3.765 6.253 11.257 1.00 10.00 H new ATOM 0 HD11 LEU A 80 1.690 5.812 9.998 1.00 10.00 H new ATOM 0 HD12 LEU A 80 3.094 5.983 8.917 1.00 10.00 H new ATOM 0 HD13 LEU A 80 2.441 4.367 9.279 1.00 10.00 H new ATOM 0 HD21 LEU A 80 1.967 4.907 12.272 1.00 10.00 H new ATOM 0 HD22 LEU A 80 2.725 3.426 11.639 1.00 10.00 H new ATOM 0 HD23 LEU A 80 3.573 4.410 12.855 1.00 10.00 H new ATOM 1010 N GLY A 81 6.964 2.517 11.353 1.00 10.00 N ATOM 1011 CA GLY A 81 7.315 1.212 11.868 1.00 10.00 C ATOM 1012 C GLY A 81 6.874 0.084 10.959 1.00 10.00 C ATOM 1013 O GLY A 81 6.218 -0.857 11.406 1.00 10.00 O ATOM 0 H GLY A 81 7.224 2.678 10.380 1.00 10.00 H new ATOM 0 HA2 GLY A 81 8.395 1.160 12.007 1.00 10.00 H new ATOM 0 HA3 GLY A 81 6.861 1.080 12.850 1.00 10.00 H new ATOM 1017 N MET A 82 7.225 0.177 9.682 1.00 10.00 N ATOM 1018 CA MET A 82 6.865 -0.858 8.719 1.00 10.00 C ATOM 1019 C MET A 82 7.863 -2.003 8.801 1.00 10.00 C ATOM 1020 O MET A 82 9.053 -1.775 9.026 1.00 10.00 O ATOM 1021 CB MET A 82 6.823 -0.291 7.299 1.00 10.00 C ATOM 1022 CG MET A 82 5.653 0.648 7.049 1.00 10.00 C ATOM 1023 SD MET A 82 5.488 1.109 5.313 1.00 10.00 S ATOM 1024 CE MET A 82 4.045 2.168 5.391 1.00 10.00 C ATOM 0 H MET A 82 7.756 0.955 9.290 1.00 10.00 H new ATOM 0 HA MET A 82 5.870 -1.230 8.963 1.00 10.00 H new ATOM 0 HB2 MET A 82 7.753 0.242 7.103 1.00 10.00 H new ATOM 0 HB3 MET A 82 6.773 -1.117 6.589 1.00 10.00 H new ATOM 0 HG2 MET A 82 4.732 0.171 7.383 1.00 10.00 H new ATOM 0 HG3 MET A 82 5.781 1.549 7.649 1.00 10.00 H new ATOM 0 HE1 MET A 82 3.662 2.336 4.384 1.00 10.00 H new ATOM 0 HE2 MET A 82 3.275 1.690 5.997 1.00 10.00 H new ATOM 0 HE3 MET A 82 4.319 3.123 5.839 1.00 10.00 H new ATOM 1034 N GLU A 83 7.386 -3.230 8.632 1.00 10.00 N ATOM 1035 CA GLU A 83 8.253 -4.398 8.715 1.00 10.00 C ATOM 1036 C GLU A 83 7.866 -5.468 7.698 1.00 10.00 C ATOM 1037 O GLU A 83 6.836 -5.368 7.031 1.00 10.00 O ATOM 1038 CB GLU A 83 8.191 -4.992 10.124 1.00 10.00 C ATOM 1039 CG GLU A 83 9.411 -4.678 10.971 1.00 10.00 C ATOM 1040 CD GLU A 83 10.708 -5.047 10.282 1.00 10.00 C ATOM 1041 OE1 GLU A 83 10.764 -6.114 9.630 1.00 10.00 O ATOM 1042 OE2 GLU A 83 11.682 -4.274 10.388 1.00 10.00 O ATOM 0 H GLU A 83 6.407 -3.441 8.437 1.00 10.00 H new ATOM 0 HA GLU A 83 9.268 -4.070 8.490 1.00 10.00 H new ATOM 0 HB2 GLU A 83 7.302 -4.615 10.629 1.00 10.00 H new ATOM 0 HB3 GLU A 83 8.080 -6.074 10.049 1.00 10.00 H new ATOM 0 HG2 GLU A 83 9.420 -3.614 11.209 1.00 10.00 H new ATOM 0 HG3 GLU A 83 9.340 -5.215 11.917 1.00 10.00 H new ATOM 1049 N GLU A 84 8.710 -6.488 7.597 1.00 10.00 N ATOM 1050 CA GLU A 84 8.486 -7.610 6.690 1.00 10.00 C ATOM 1051 C GLU A 84 7.382 -8.507 7.250 1.00 10.00 C ATOM 1052 O GLU A 84 7.249 -8.633 8.471 1.00 10.00 O ATOM 1053 CB GLU A 84 9.794 -8.402 6.517 1.00 10.00 C ATOM 1054 CG GLU A 84 9.623 -9.781 5.893 1.00 10.00 C ATOM 1055 CD GLU A 84 9.574 -9.750 4.378 1.00 10.00 C ATOM 1056 OE1 GLU A 84 9.711 -8.657 3.797 1.00 10.00 O ATOM 1057 OE2 GLU A 84 9.407 -10.824 3.760 1.00 10.00 O ATOM 0 H GLU A 84 9.570 -6.562 8.141 1.00 10.00 H new ATOM 0 HA GLU A 84 8.172 -7.239 5.714 1.00 10.00 H new ATOM 0 HB2 GLU A 84 10.477 -7.820 5.898 1.00 10.00 H new ATOM 0 HB3 GLU A 84 10.266 -8.515 7.493 1.00 10.00 H new ATOM 0 HG2 GLU A 84 10.447 -10.421 6.210 1.00 10.00 H new ATOM 0 HG3 GLU A 84 8.705 -10.232 6.270 1.00 10.00 H new ATOM 1064 N GLU A 85 6.586 -9.103 6.358 1.00 10.00 N ATOM 1065 CA GLU A 85 5.488 -9.992 6.748 1.00 10.00 C ATOM 1066 C GLU A 85 4.472 -9.240 7.597 1.00 10.00 C ATOM 1067 O GLU A 85 3.911 -9.778 8.551 1.00 10.00 O ATOM 1068 CB GLU A 85 6.019 -11.210 7.510 1.00 10.00 C ATOM 1069 CG GLU A 85 6.831 -12.158 6.645 1.00 10.00 C ATOM 1070 CD GLU A 85 5.983 -13.218 5.975 1.00 10.00 C ATOM 1071 OE1 GLU A 85 4.792 -12.958 5.713 1.00 10.00 O ATOM 1072 OE2 GLU A 85 6.514 -14.315 5.697 1.00 10.00 O ATOM 0 H GLU A 85 6.684 -8.984 5.350 1.00 10.00 H new ATOM 0 HA GLU A 85 4.995 -10.343 5.841 1.00 10.00 H new ATOM 0 HB2 GLU A 85 6.637 -10.868 8.340 1.00 10.00 H new ATOM 0 HB3 GLU A 85 5.179 -11.754 7.941 1.00 10.00 H new ATOM 0 HG2 GLU A 85 7.357 -11.585 5.882 1.00 10.00 H new ATOM 0 HG3 GLU A 85 7.590 -12.642 7.259 1.00 10.00 H new ATOM 1079 N ASP A 86 4.246 -7.989 7.235 1.00 10.00 N ATOM 1080 CA ASP A 86 3.313 -7.144 7.957 1.00 10.00 C ATOM 1081 C ASP A 86 1.995 -7.047 7.203 1.00 10.00 C ATOM 1082 O ASP A 86 1.915 -7.411 6.028 1.00 10.00 O ATOM 1083 CB ASP A 86 3.910 -5.755 8.153 1.00 10.00 C ATOM 1084 CG ASP A 86 3.321 -5.022 9.341 1.00 10.00 C ATOM 1085 OD1 ASP A 86 2.447 -5.590 10.031 1.00 10.00 O ATOM 1086 OD2 ASP A 86 3.739 -3.873 9.588 1.00 10.00 O ATOM 0 H ASP A 86 4.699 -7.535 6.442 1.00 10.00 H new ATOM 0 HA ASP A 86 3.123 -7.588 8.934 1.00 10.00 H new ATOM 0 HB2 ASP A 86 4.988 -5.844 8.286 1.00 10.00 H new ATOM 0 HB3 ASP A 86 3.747 -5.165 7.251 1.00 10.00 H new ATOM 1091 N VAL A 87 0.972 -6.540 7.870 1.00 10.00 N ATOM 1092 CA VAL A 87 -0.340 -6.413 7.265 1.00 10.00 C ATOM 1093 C VAL A 87 -0.808 -4.961 7.241 1.00 10.00 C ATOM 1094 O VAL A 87 -0.483 -4.172 8.131 1.00 10.00 O ATOM 1095 CB VAL A 87 -1.392 -7.272 8.004 1.00 10.00 C ATOM 1096 CG1 VAL A 87 -1.106 -8.754 7.815 1.00 10.00 C ATOM 1097 CG2 VAL A 87 -1.439 -6.921 9.486 1.00 10.00 C ATOM 0 H VAL A 87 1.027 -6.209 8.833 1.00 10.00 H new ATOM 0 HA VAL A 87 -0.244 -6.772 6.240 1.00 10.00 H new ATOM 0 HB VAL A 87 -2.368 -7.052 7.572 1.00 10.00 H new ATOM 0 HG11 VAL A 87 -1.858 -9.340 8.343 1.00 10.00 H new ATOM 0 HG12 VAL A 87 -1.136 -8.998 6.753 1.00 10.00 H new ATOM 0 HG13 VAL A 87 -0.119 -8.988 8.213 1.00 10.00 H new ATOM 0 HG21 VAL A 87 -2.187 -7.539 9.983 1.00 10.00 H new ATOM 0 HG22 VAL A 87 -0.462 -7.103 9.934 1.00 10.00 H new ATOM 0 HG23 VAL A 87 -1.702 -5.870 9.603 1.00 10.00 H new ATOM 1107 N ILE A 88 -1.557 -4.616 6.206 1.00 10.00 N ATOM 1108 CA ILE A 88 -2.098 -3.275 6.057 1.00 10.00 C ATOM 1109 C ILE A 88 -3.530 -3.363 5.533 1.00 10.00 C ATOM 1110 O ILE A 88 -3.845 -4.226 4.710 1.00 10.00 O ATOM 1111 CB ILE A 88 -1.222 -2.400 5.122 1.00 10.00 C ATOM 1112 CG1 ILE A 88 -1.696 -0.943 5.147 1.00 10.00 C ATOM 1113 CG2 ILE A 88 -1.228 -2.941 3.697 1.00 10.00 C ATOM 1114 CD1 ILE A 88 -0.681 0.037 4.598 1.00 10.00 C ATOM 0 H ILE A 88 -1.806 -5.254 5.450 1.00 10.00 H new ATOM 0 HA ILE A 88 -2.097 -2.793 7.034 1.00 10.00 H new ATOM 0 HB ILE A 88 -0.197 -2.437 5.491 1.00 10.00 H new ATOM 0 HG12 ILE A 88 -2.617 -0.860 4.570 1.00 10.00 H new ATOM 0 HG13 ILE A 88 -1.937 -0.666 6.173 1.00 10.00 H new ATOM 0 HG21 ILE A 88 -0.606 -2.308 3.065 1.00 10.00 H new ATOM 0 HG22 ILE A 88 -0.834 -3.957 3.692 1.00 10.00 H new ATOM 0 HG23 ILE A 88 -2.248 -2.945 3.314 1.00 10.00 H new ATOM 0 HD11 ILE A 88 -1.087 1.047 4.648 1.00 10.00 H new ATOM 0 HD12 ILE A 88 0.233 -0.017 5.189 1.00 10.00 H new ATOM 0 HD13 ILE A 88 -0.458 -0.213 3.561 1.00 10.00 H new ATOM 1126 N GLU A 89 -4.402 -2.502 6.028 1.00 10.00 N ATOM 1127 CA GLU A 89 -5.797 -2.514 5.616 1.00 10.00 C ATOM 1128 C GLU A 89 -6.090 -1.360 4.668 1.00 10.00 C ATOM 1129 O GLU A 89 -5.418 -0.329 4.706 1.00 10.00 O ATOM 1130 CB GLU A 89 -6.704 -2.434 6.842 1.00 10.00 C ATOM 1131 CG GLU A 89 -6.485 -3.573 7.826 1.00 10.00 C ATOM 1132 CD GLU A 89 -7.130 -3.321 9.171 1.00 10.00 C ATOM 1133 OE1 GLU A 89 -8.073 -4.060 9.535 1.00 10.00 O ATOM 1134 OE2 GLU A 89 -6.690 -2.390 9.879 1.00 10.00 O ATOM 0 H GLU A 89 -4.170 -1.785 6.716 1.00 10.00 H new ATOM 0 HA GLU A 89 -5.994 -3.447 5.088 1.00 10.00 H new ATOM 0 HB2 GLU A 89 -6.533 -1.485 7.351 1.00 10.00 H new ATOM 0 HB3 GLU A 89 -7.744 -2.439 6.517 1.00 10.00 H new ATOM 0 HG2 GLU A 89 -6.886 -4.494 7.403 1.00 10.00 H new ATOM 0 HG3 GLU A 89 -5.415 -3.726 7.965 1.00 10.00 H new ATOM 1141 N VAL A 90 -7.086 -1.541 3.815 1.00 10.00 N ATOM 1142 CA VAL A 90 -7.464 -0.512 2.863 1.00 10.00 C ATOM 1143 C VAL A 90 -8.983 -0.478 2.685 1.00 10.00 C ATOM 1144 O VAL A 90 -9.620 -1.508 2.454 1.00 10.00 O ATOM 1145 CB VAL A 90 -6.756 -0.722 1.501 1.00 10.00 C ATOM 1146 CG1 VAL A 90 -7.143 -2.053 0.874 1.00 10.00 C ATOM 1147 CG2 VAL A 90 -7.050 0.431 0.554 1.00 10.00 C ATOM 0 H VAL A 90 -7.647 -2.392 3.764 1.00 10.00 H new ATOM 0 HA VAL A 90 -7.141 0.450 3.261 1.00 10.00 H new ATOM 0 HB VAL A 90 -5.682 -0.744 1.686 1.00 10.00 H new ATOM 0 HG11 VAL A 90 -6.629 -2.169 -0.080 1.00 10.00 H new ATOM 0 HG12 VAL A 90 -6.857 -2.866 1.541 1.00 10.00 H new ATOM 0 HG13 VAL A 90 -8.220 -2.079 0.711 1.00 10.00 H new ATOM 0 HG21 VAL A 90 -6.542 0.261 -0.395 1.00 10.00 H new ATOM 0 HG22 VAL A 90 -8.125 0.497 0.384 1.00 10.00 H new ATOM 0 HG23 VAL A 90 -6.694 1.363 0.994 1.00 10.00 H new ATOM 1157 N TYR A 91 -9.562 0.705 2.831 1.00 10.00 N ATOM 1158 CA TYR A 91 -11.003 0.878 2.693 1.00 10.00 C ATOM 1159 C TYR A 91 -11.306 1.965 1.675 1.00 10.00 C ATOM 1160 O TYR A 91 -10.454 2.811 1.396 1.00 10.00 O ATOM 1161 CB TYR A 91 -11.637 1.231 4.042 1.00 10.00 C ATOM 1162 CG TYR A 91 -11.695 0.073 5.013 1.00 10.00 C ATOM 1163 CD1 TYR A 91 -12.235 -1.149 4.631 1.00 10.00 C ATOM 1164 CD2 TYR A 91 -11.210 0.202 6.310 1.00 10.00 C ATOM 1165 CE1 TYR A 91 -12.289 -2.208 5.514 1.00 10.00 C ATOM 1166 CE2 TYR A 91 -11.262 -0.855 7.197 1.00 10.00 C ATOM 1167 CZ TYR A 91 -11.800 -2.057 6.794 1.00 10.00 C ATOM 1168 OH TYR A 91 -11.859 -3.110 7.675 1.00 10.00 O ATOM 0 H TYR A 91 -9.055 1.563 3.046 1.00 10.00 H new ATOM 0 HA TYR A 91 -11.430 -0.063 2.345 1.00 10.00 H new ATOM 0 HB2 TYR A 91 -11.072 2.045 4.496 1.00 10.00 H new ATOM 0 HB3 TYR A 91 -12.648 1.601 3.872 1.00 10.00 H new ATOM 0 HD1 TYR A 91 -12.618 -1.272 3.629 1.00 10.00 H new ATOM 0 HD2 TYR A 91 -10.786 1.143 6.628 1.00 10.00 H new ATOM 0 HE1 TYR A 91 -12.713 -3.152 5.203 1.00 10.00 H new ATOM 0 HE2 TYR A 91 -10.883 -0.740 8.202 1.00 10.00 H new ATOM 0 HH TYR A 91 -12.563 -3.732 7.395 1.00 10.00 H new ATOM 1178 N GLN A 92 -12.514 1.939 1.125 1.00 10.00 N ATOM 1179 CA GLN A 92 -12.921 2.923 0.132 1.00 10.00 C ATOM 1180 C GLN A 92 -13.265 4.249 0.800 1.00 10.00 C ATOM 1181 O GLN A 92 -13.836 4.279 1.892 1.00 10.00 O ATOM 1182 CB GLN A 92 -14.119 2.416 -0.673 1.00 10.00 C ATOM 1183 CG GLN A 92 -14.329 3.168 -1.978 1.00 10.00 C ATOM 1184 CD GLN A 92 -15.757 3.094 -2.474 1.00 10.00 C ATOM 1185 OE1 GLN A 92 -16.129 2.167 -3.193 1.00 10.00 O ATOM 1186 NE2 GLN A 92 -16.561 4.081 -2.109 1.00 10.00 N ATOM 0 H GLN A 92 -13.228 1.247 1.351 1.00 10.00 H new ATOM 0 HA GLN A 92 -12.085 3.080 -0.549 1.00 10.00 H new ATOM 0 HB2 GLN A 92 -13.980 1.357 -0.890 1.00 10.00 H new ATOM 0 HB3 GLN A 92 -15.019 2.501 -0.064 1.00 10.00 H new ATOM 0 HG2 GLN A 92 -14.051 4.213 -1.839 1.00 10.00 H new ATOM 0 HG3 GLN A 92 -13.663 2.760 -2.739 1.00 10.00 H new ATOM 0 HE21 GLN A 92 -16.211 4.830 -1.512 1.00 10.00 H new ATOM 0 HE22 GLN A 92 -17.531 4.092 -2.425 1.00 10.00 H new ATOM 1195 N GLU A 93 -12.917 5.336 0.133 1.00 10.00 N ATOM 1196 CA GLU A 93 -13.173 6.673 0.644 1.00 10.00 C ATOM 1197 C GLU A 93 -14.610 7.094 0.383 1.00 10.00 C ATOM 1198 O GLU A 93 -15.250 6.616 -0.557 1.00 10.00 O ATOM 1199 CB GLU A 93 -12.219 7.674 -0.009 1.00 10.00 C ATOM 1200 CG GLU A 93 -10.766 7.463 0.375 1.00 10.00 C ATOM 1201 CD GLU A 93 -10.443 8.012 1.746 1.00 10.00 C ATOM 1202 OE1 GLU A 93 -10.999 7.508 2.742 1.00 10.00 O ATOM 1203 OE2 GLU A 93 -9.625 8.949 1.832 1.00 10.00 O ATOM 0 H GLU A 93 -12.451 5.318 -0.774 1.00 10.00 H new ATOM 0 HA GLU A 93 -13.008 6.659 1.721 1.00 10.00 H new ATOM 0 HB2 GLU A 93 -12.315 7.602 -1.092 1.00 10.00 H new ATOM 0 HB3 GLU A 93 -12.518 8.684 0.271 1.00 10.00 H new ATOM 0 HG2 GLU A 93 -10.539 6.397 0.351 1.00 10.00 H new ATOM 0 HG3 GLU A 93 -10.125 7.942 -0.365 1.00 10.00 H new ATOM 1210 N GLN A 94 -15.106 8.001 1.214 1.00 10.00 N ATOM 1211 CA GLN A 94 -16.462 8.506 1.078 1.00 10.00 C ATOM 1212 C GLN A 94 -16.520 9.552 -0.031 1.00 10.00 C ATOM 1213 O GLN A 94 -17.593 9.931 -0.497 1.00 10.00 O ATOM 1214 CB GLN A 94 -16.934 9.110 2.403 1.00 10.00 C ATOM 1215 CG GLN A 94 -18.445 9.201 2.527 1.00 10.00 C ATOM 1216 CD GLN A 94 -18.894 9.748 3.868 1.00 10.00 C ATOM 1217 OE1 GLN A 94 -18.222 10.586 4.471 1.00 10.00 O ATOM 1218 NE2 GLN A 94 -20.034 9.279 4.344 1.00 10.00 N ATOM 0 H GLN A 94 -14.585 8.403 1.993 1.00 10.00 H new ATOM 0 HA GLN A 94 -17.123 7.680 0.816 1.00 10.00 H new ATOM 0 HB2 GLN A 94 -16.546 8.509 3.225 1.00 10.00 H new ATOM 0 HB3 GLN A 94 -16.509 10.108 2.510 1.00 10.00 H new ATOM 0 HG2 GLN A 94 -18.832 9.838 1.732 1.00 10.00 H new ATOM 0 HG3 GLN A 94 -18.877 8.211 2.381 1.00 10.00 H new ATOM 0 HE21 GLN A 94 -20.561 8.585 3.814 1.00 10.00 H new ATOM 0 HE22 GLN A 94 -20.387 9.611 5.242 1.00 10.00 H new ATOM 1227 N THR A 95 -15.348 10.015 -0.447 1.00 10.00 N ATOM 1228 CA THR A 95 -15.246 11.009 -1.503 1.00 10.00 C ATOM 1229 C THR A 95 -15.292 10.349 -2.881 1.00 10.00 C ATOM 1230 O THR A 95 -15.294 11.030 -3.909 1.00 10.00 O ATOM 1231 CB THR A 95 -13.941 11.811 -1.359 1.00 10.00 C ATOM 1232 OG1 THR A 95 -13.390 11.596 -0.052 1.00 10.00 O ATOM 1233 CG2 THR A 95 -14.188 13.298 -1.570 1.00 10.00 C ATOM 0 H THR A 95 -14.451 9.715 -0.065 1.00 10.00 H new ATOM 0 HA THR A 95 -16.096 11.685 -1.410 1.00 10.00 H new ATOM 0 HB THR A 95 -13.239 11.468 -2.119 1.00 10.00 H new ATOM 0 HG1 THR A 95 -12.558 12.105 0.040 1.00 10.00 H new ATOM 0 HG21 THR A 95 -13.249 13.842 -1.463 1.00 10.00 H new ATOM 0 HG22 THR A 95 -14.590 13.462 -2.570 1.00 10.00 H new ATOM 0 HG23 THR A 95 -14.902 13.657 -0.829 1.00 10.00 H new ATOM 1241 N GLY A 96 -15.335 9.020 -2.894 1.00 10.00 N ATOM 1242 CA GLY A 96 -15.382 8.284 -4.143 1.00 10.00 C ATOM 1243 C GLY A 96 -14.016 8.144 -4.782 1.00 10.00 C ATOM 1244 O GLY A 96 -13.460 7.048 -4.844 1.00 10.00 O ATOM 0 H GLY A 96 -15.338 8.438 -2.056 1.00 10.00 H new ATOM 0 HA2 GLY A 96 -15.799 7.293 -3.962 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -16.054 8.791 -4.835 1.00 10.00 H new ATOM 1248 N GLY A 97 -13.470 9.258 -5.245 1.00 10.00 N ATOM 1249 CA GLY A 97 -12.168 9.246 -5.882 1.00 10.00 C ATOM 1250 C GLY A 97 -11.561 10.628 -5.945 1.00 10.00 C ATOM 1251 O GLY A 97 -12.159 11.589 -5.453 1.00 10.00 O ATOM 0 H GLY A 97 -13.909 10.177 -5.191 1.00 10.00 H new ATOM 0 HA2 GLY A 97 -11.501 8.581 -5.333 1.00 10.00 H new ATOM 0 HA3 GLY A 97 -12.261 8.843 -6.891 1.00 10.00 H new TER 1255 GLY A 97 ATOM 1256 N ASP B 195 -7.866 -19.923 -3.478 1.00 10.00 N ATOM 1257 CA ASP B 195 -8.209 -18.584 -3.016 1.00 10.00 C ATOM 1258 C ASP B 195 -7.616 -17.543 -3.959 1.00 10.00 C ATOM 1259 O ASP B 195 -7.271 -17.870 -5.098 1.00 10.00 O ATOM 1260 CB ASP B 195 -7.705 -18.371 -1.590 1.00 10.00 C ATOM 1261 CG ASP B 195 -8.537 -17.356 -0.835 1.00 10.00 C ATOM 1262 OD1 ASP B 195 -9.517 -17.757 -0.173 1.00 10.00 O ATOM 1263 OD2 ASP B 195 -8.213 -16.155 -0.897 1.00 10.00 O ATOM 0 HA ASP B 195 -9.293 -18.474 -3.014 1.00 10.00 H new ATOM 0 HB2 ASP B 195 -7.720 -19.321 -1.055 1.00 10.00 H new ATOM 0 HB3 ASP B 195 -6.667 -18.038 -1.619 1.00 10.00 H new ATOM 1268 N THR B 196 -7.489 -16.299 -3.515 1.00 10.00 N ATOM 1269 CA THR B 196 -6.932 -15.286 -4.383 1.00 10.00 C ATOM 1270 C THR B 196 -5.670 -14.650 -3.802 1.00 10.00 C ATOM 1271 O THR B 196 -5.675 -14.107 -2.694 1.00 10.00 O ATOM 1272 CB THR B 196 -7.967 -14.183 -4.692 1.00 10.00 C ATOM 1273 OG1 THR B 196 -9.178 -14.777 -5.187 1.00 10.00 O ATOM 1274 CG2 THR B 196 -7.430 -13.196 -5.723 1.00 10.00 C ATOM 0 H THR B 196 -7.757 -15.979 -2.584 1.00 10.00 H new ATOM 0 HA THR B 196 -6.660 -15.795 -5.307 1.00 10.00 H new ATOM 0 HB THR B 196 -8.169 -13.642 -3.768 1.00 10.00 H new ATOM 0 HG1 THR B 196 -9.832 -14.073 -5.380 1.00 10.00 H new ATOM 0 HG21 THR B 196 -8.181 -12.431 -5.920 1.00 10.00 H new ATOM 0 HG22 THR B 196 -6.525 -12.725 -5.339 1.00 10.00 H new ATOM 0 HG23 THR B 196 -7.200 -13.725 -6.648 1.00 10.00 H new ATOM 1282 N ALA B 197 -4.594 -14.737 -4.577 1.00 10.00 N ATOM 1283 CA ALA B 197 -3.318 -14.152 -4.213 1.00 10.00 C ATOM 1284 C ALA B 197 -2.840 -13.255 -5.345 1.00 10.00 C ATOM 1285 O ALA B 197 -2.759 -13.690 -6.491 1.00 10.00 O ATOM 1286 CB ALA B 197 -2.282 -15.231 -3.920 1.00 10.00 C ATOM 0 H ALA B 197 -4.587 -15.217 -5.477 1.00 10.00 H new ATOM 0 HA ALA B 197 -3.447 -13.562 -3.305 1.00 10.00 H new ATOM 0 HB1 ALA B 197 -1.335 -14.763 -3.650 1.00 10.00 H new ATOM 0 HB2 ALA B 197 -2.628 -15.853 -3.094 1.00 10.00 H new ATOM 0 HB3 ALA B 197 -2.141 -15.850 -4.806 1.00 10.00 H new ATOM 1292 N GLY B 198 -2.532 -12.017 -5.024 1.00 10.00 N ATOM 1293 CA GLY B 198 -2.043 -11.091 -6.023 1.00 10.00 C ATOM 1294 C GLY B 198 -0.687 -10.554 -5.650 1.00 10.00 C ATOM 1295 O GLY B 198 -0.505 -10.096 -4.531 1.00 10.00 O ATOM 0 H GLY B 198 -2.611 -11.629 -4.084 1.00 10.00 H new ATOM 0 HA2 GLY B 198 -1.986 -11.592 -6.990 1.00 10.00 H new ATOM 0 HA3 GLY B 198 -2.746 -10.266 -6.133 1.00 10.00 H new ATOM 1299 N CYS B 199 0.274 -10.611 -6.554 1.00 10.00 N ATOM 1300 CA CYS B 199 1.592 -10.080 -6.246 1.00 10.00 C ATOM 1301 C CYS B 199 1.939 -8.945 -7.194 1.00 10.00 C ATOM 1302 O CYS B 199 1.928 -9.106 -8.415 1.00 10.00 O ATOM 1303 CB CYS B 199 2.643 -11.185 -6.332 1.00 10.00 C ATOM 1304 SG CYS B 199 2.286 -12.613 -5.284 1.00 10.00 S ATOM 0 H CYS B 199 0.173 -11.010 -7.487 1.00 10.00 H new ATOM 0 HA CYS B 199 1.581 -9.690 -5.228 1.00 10.00 H new ATOM 0 HB2 CYS B 199 2.724 -11.517 -7.367 1.00 10.00 H new ATOM 0 HB3 CYS B 199 3.613 -10.774 -6.052 1.00 10.00 H new ATOM 0 HG CYS B 199 3.227 -13.499 -5.423 1.00 10.00 H new ATOM 1310 N ILE B 200 2.246 -7.797 -6.613 1.00 10.00 N ATOM 1311 CA ILE B 200 2.601 -6.612 -7.371 1.00 10.00 C ATOM 1312 C ILE B 200 3.969 -6.099 -6.927 1.00 10.00 C ATOM 1313 O ILE B 200 4.227 -5.986 -5.730 1.00 10.00 O ATOM 1314 CB ILE B 200 1.513 -5.508 -7.225 1.00 10.00 C ATOM 1315 CG1 ILE B 200 2.059 -4.123 -7.596 1.00 10.00 C ATOM 1316 CG2 ILE B 200 0.924 -5.494 -5.816 1.00 10.00 C ATOM 1317 CD1 ILE B 200 0.999 -3.039 -7.634 1.00 10.00 C ATOM 0 H ILE B 200 2.256 -7.662 -5.602 1.00 10.00 H new ATOM 0 HA ILE B 200 2.656 -6.878 -8.427 1.00 10.00 H new ATOM 0 HB ILE B 200 0.714 -5.750 -7.926 1.00 10.00 H new ATOM 0 HG12 ILE B 200 2.828 -3.841 -6.877 1.00 10.00 H new ATOM 0 HG13 ILE B 200 2.541 -4.182 -8.572 1.00 10.00 H new ATOM 0 HG21 ILE B 200 0.167 -4.713 -5.746 1.00 10.00 H new ATOM 0 HG22 ILE B 200 0.468 -6.461 -5.603 1.00 10.00 H new ATOM 0 HG23 ILE B 200 1.716 -5.299 -5.093 1.00 10.00 H new ATOM 0 HD11 ILE B 200 1.460 -2.089 -7.903 1.00 10.00 H new ATOM 0 HD12 ILE B 200 0.241 -3.297 -8.374 1.00 10.00 H new ATOM 0 HD13 ILE B 200 0.533 -2.951 -6.653 1.00 10.00 H new ATOM 1329 N VAL B 201 4.845 -5.804 -7.883 1.00 10.00 N ATOM 1330 CA VAL B 201 6.173 -5.305 -7.556 1.00 10.00 C ATOM 1331 C VAL B 201 6.313 -3.889 -8.096 1.00 10.00 C ATOM 1332 O VAL B 201 5.950 -3.601 -9.237 1.00 10.00 O ATOM 1333 CB VAL B 201 7.303 -6.210 -8.120 1.00 10.00 C ATOM 1334 CG1 VAL B 201 7.266 -6.268 -9.644 1.00 10.00 C ATOM 1335 CG2 VAL B 201 8.667 -5.736 -7.639 1.00 10.00 C ATOM 0 H VAL B 201 4.660 -5.901 -8.881 1.00 10.00 H new ATOM 0 HA VAL B 201 6.280 -5.311 -6.471 1.00 10.00 H new ATOM 0 HB VAL B 201 7.133 -7.218 -7.743 1.00 10.00 H new ATOM 0 HG11 VAL B 201 8.070 -6.910 -10.003 1.00 10.00 H new ATOM 0 HG12 VAL B 201 6.307 -6.671 -9.970 1.00 10.00 H new ATOM 0 HG13 VAL B 201 7.394 -5.264 -10.050 1.00 10.00 H new ATOM 0 HG21 VAL B 201 9.442 -6.385 -8.047 1.00 10.00 H new ATOM 0 HG22 VAL B 201 8.836 -4.713 -7.975 1.00 10.00 H new ATOM 0 HG23 VAL B 201 8.701 -5.770 -6.550 1.00 10.00 H new ATOM 1345 N ILE B 202 6.776 -2.993 -7.250 1.00 10.00 N ATOM 1346 CA ILE B 202 6.913 -1.602 -7.619 1.00 10.00 C ATOM 1347 C ILE B 202 8.349 -1.109 -7.455 1.00 10.00 C ATOM 1348 O ILE B 202 8.988 -1.375 -6.437 1.00 10.00 O ATOM 1349 CB ILE B 202 5.948 -0.746 -6.778 1.00 10.00 C ATOM 1350 CG1 ILE B 202 6.015 0.717 -7.195 1.00 10.00 C ATOM 1351 CG2 ILE B 202 6.247 -0.881 -5.287 1.00 10.00 C ATOM 1352 CD1 ILE B 202 4.942 1.558 -6.552 1.00 10.00 C ATOM 0 H ILE B 202 7.065 -3.207 -6.296 1.00 10.00 H new ATOM 0 HA ILE B 202 6.659 -1.505 -8.674 1.00 10.00 H new ATOM 0 HB ILE B 202 4.939 -1.115 -6.960 1.00 10.00 H new ATOM 0 HG12 ILE B 202 6.993 1.121 -6.932 1.00 10.00 H new ATOM 0 HG13 ILE B 202 5.923 0.786 -8.279 1.00 10.00 H new ATOM 0 HG21 ILE B 202 5.550 -0.265 -4.719 1.00 10.00 H new ATOM 0 HG22 ILE B 202 6.138 -1.923 -4.987 1.00 10.00 H new ATOM 0 HG23 ILE B 202 7.267 -0.551 -5.089 1.00 10.00 H new ATOM 0 HD11 ILE B 202 5.040 2.591 -6.887 1.00 10.00 H new ATOM 0 HD12 ILE B 202 3.961 1.176 -6.836 1.00 10.00 H new ATOM 0 HD13 ILE B 202 5.048 1.516 -5.468 1.00 10.00 H new HETATM 1364 N SEP B 203 8.875 -0.440 -8.477 1.00 10.00 N HETATM 1365 CA SEP B 203 10.212 0.098 -8.382 1.00 10.00 C HETATM 1366 CB SEP B 203 11.061 -0.537 -9.478 1.00 10.00 C HETATM 1367 OG SEP B 203 12.412 -0.117 -9.417 1.00 10.00 O HETATM 1368 C SEP B 203 10.157 1.597 -8.565 1.00 10.00 C HETATM 1369 O SEP B 203 9.775 2.092 -9.621 1.00 10.00 O HETATM 1370 P SEP B 203 13.410 -0.863 -8.426 1.00 10.00 P HETATM 1371 O1P SEP B 203 14.805 -0.898 -8.897 1.00 10.00 O HETATM 1372 O2P SEP B 203 12.921 -2.161 -7.937 1.00 10.00 O HETATM 1373 O3P SEP B 203 13.460 0.068 -7.127 1.00 10.00 O HETATM 0 HB3 SEP B 203 11.015 -1.622 -9.388 1.00 10.00 H new HETATM 0 HB2 SEP B 203 10.646 -0.280 -10.452 1.00 10.00 H new HETATM 0 HA SEP B 203 10.648 -0.121 -7.407 1.00 10.00 H new ATOM 1378 N ASP B 204 10.509 2.306 -7.516 1.00 10.00 N ATOM 1379 CA ASP B 204 10.530 3.753 -7.542 1.00 10.00 C ATOM 1380 C ASP B 204 11.764 4.306 -6.845 1.00 10.00 C ATOM 1381 O ASP B 204 12.079 3.896 -5.740 1.00 10.00 O ATOM 1382 CB ASP B 204 9.255 4.303 -6.946 1.00 10.00 C ATOM 1383 CG ASP B 204 9.107 5.795 -7.163 1.00 10.00 C ATOM 1384 OD1 ASP B 204 9.371 6.272 -8.295 1.00 10.00 O ATOM 1385 OD2 ASP B 204 8.726 6.493 -6.210 1.00 10.00 O ATOM 0 H ASP B 204 10.788 1.899 -6.623 1.00 10.00 H new ATOM 0 HA ASP B 204 10.586 4.078 -8.581 1.00 10.00 H new ATOM 0 HB2 ASP B 204 8.401 3.789 -7.387 1.00 10.00 H new ATOM 0 HB3 ASP B 204 9.237 4.092 -5.877 1.00 10.00 H new HETATM 1390 N SEP B 205 12.480 5.192 -7.489 1.00 10.00 N HETATM 1391 CA SEP B 205 13.677 5.786 -6.893 1.00 10.00 C HETATM 1392 CB SEP B 205 14.924 5.248 -7.536 1.00 10.00 C HETATM 1393 OG SEP B 205 15.752 4.531 -6.613 1.00 10.00 O HETATM 1394 C SEP B 205 13.670 7.305 -7.007 1.00 10.00 C HETATM 1395 O SEP B 205 13.284 7.838 -8.049 1.00 10.00 O HETATM 1396 P SEP B 205 17.331 4.796 -6.620 1.00 10.00 P HETATM 1397 O1P SEP B 205 17.767 4.829 -5.082 1.00 10.00 O HETATM 1398 O2P SEP B 205 17.712 6.127 -7.120 1.00 10.00 O HETATM 1399 O3P SEP B 205 18.117 3.686 -7.198 1.00 10.00 O HETATM 0 HB3 SEP B 205 14.649 4.589 -8.360 1.00 10.00 H new HETATM 0 HB2 SEP B 205 15.493 6.073 -7.964 1.00 10.00 H new HETATM 0 HA SEP B 205 13.669 5.515 -5.837 1.00 10.00 H new ATOM 1404 N GLU B 206 14.045 8.005 -5.943 1.00 10.00 N ATOM 1405 CA GLU B 206 14.122 9.471 -5.988 1.00 10.00 C ATOM 1406 C GLU B 206 15.040 9.928 -7.126 1.00 10.00 C ATOM 1407 O GLU B 206 16.154 9.428 -7.281 1.00 10.00 O ATOM 1408 CB GLU B 206 14.648 10.028 -4.658 1.00 10.00 C ATOM 1409 CG GLU B 206 14.644 11.551 -4.587 1.00 10.00 C ATOM 1410 CD GLU B 206 13.270 12.150 -4.818 1.00 10.00 C ATOM 1411 OE1 GLU B 206 12.798 12.145 -5.978 1.00 10.00 O ATOM 1412 OE2 GLU B 206 12.647 12.621 -3.844 1.00 10.00 O ATOM 0 H GLU B 206 14.299 7.593 -5.045 1.00 10.00 H new ATOM 0 HA GLU B 206 13.116 9.852 -6.163 1.00 10.00 H new ATOM 0 HB2 GLU B 206 14.041 9.634 -3.843 1.00 10.00 H new ATOM 0 HB3 GLU B 206 15.665 9.668 -4.500 1.00 10.00 H new ATOM 0 HG2 GLU B 206 15.012 11.865 -3.610 1.00 10.00 H new ATOM 0 HG3 GLU B 206 15.336 11.946 -5.330 1.00 10.00 H new TER 1419 GLU B 206