USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 873 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 66 HIS : no HD1:sc= -0.186 K(o=0.1,f=-0.44) USER MOD Set 1.2: A 95 GLN : amide:sc= 0.29 K(o=0.1,f=-2) USER MOD Set 2.1: A 61 THR OG1 : rot 165:sc= 0.0247 USER MOD Set 2.2: A 64 HIS : no HE2:sc= -0.622 K(o=-0.6,f=-5.5!) USER MOD Set 3.1: A 34 GLN : amide:sc= 0.301 K(o=0.4,f=-2.1) USER MOD Set 3.2: A 111 ASN : amide:sc= 0.1 K(o=0.4,f=-1.6) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HE2:sc= -2.07! K(o=-2.1!,f=-3.2) USER MOD Single : A 29 SER OG : rot -130:sc= 0 USER MOD Single : A 35 SER OG : rot -57:sc= 1.24 USER MOD Single : A 41 MET CE :methyl 172:sc= 0 (180deg=-0.0115) USER MOD Single : A 44 ASN : amide:sc= 0.0832 K(o=0.083,f=-2.6!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 82:sc= 1.21 USER MOD Single : A 71 MET CE :methyl -126:sc= -0.019 (180deg=-0.756) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 67:sc= 1.03 USER MOD Single : A 85 THR OG1 : rot 160:sc= 0 USER MOD Single : A 89 SER OG : rot -85:sc= 1.17 USER MOD Single : A 93 GLN : amide:sc= 1.03 K(o=1,f=-0.031) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 85:sc= 0.752 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 63:sc= 0.213 USER MOD Single : A 114 SER OG : rot 180:sc= 0.164 USER MOD Single : A 117 ASN : amide:sc= -0.388 K(o=-0.39,f=-1.5!) USER MOD Single : A 119 SER OG : rot -118:sc= 1.2 USER MOD Single : A 121 TYR OH : rot 30:sc= 0 USER MOD Single : A 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 2.529 25.886 -1.725 1.00 0.00 N ATOM 2 CA MET A 23 1.081 25.649 -1.815 1.00 0.00 C ATOM 3 C MET A 23 0.777 24.902 -3.113 1.00 0.00 C ATOM 4 O MET A 23 -0.047 25.323 -3.929 1.00 0.00 O ATOM 5 CB MET A 23 0.347 26.994 -1.692 1.00 0.00 C ATOM 6 CG MET A 23 -1.130 26.856 -1.327 1.00 0.00 C ATOM 7 SD MET A 23 -1.960 28.461 -1.197 1.00 0.00 S ATOM 8 CE MET A 23 -3.523 27.917 -0.474 1.00 0.00 C ATOM 0 HA MET A 23 0.726 25.019 -1.000 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.844 27.601 -0.935 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.430 27.531 -2.637 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.633 26.250 -2.080 1.00 0.00 H new ATOM 0 HG3 MET A 23 -1.220 26.326 -0.379 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.172 28.779 -0.320 1.00 0.00 H new ATOM 0 HE2 MET A 23 -4.010 27.212 -1.148 1.00 0.00 H new ATOM 0 HE3 MET A 23 -3.332 27.431 0.483 1.00 0.00 H new ATOM 20 N LYS A 24 1.471 23.791 -3.348 1.00 0.00 N ATOM 21 CA LYS A 24 1.380 22.962 -4.542 1.00 0.00 C ATOM 22 C LYS A 24 1.186 21.527 -4.066 1.00 0.00 C ATOM 23 O LYS A 24 1.044 21.299 -2.859 1.00 0.00 O ATOM 24 CB LYS A 24 2.658 23.142 -5.386 1.00 0.00 C ATOM 25 CG LYS A 24 2.370 23.016 -6.890 1.00 0.00 C ATOM 26 CD LYS A 24 3.621 22.577 -7.658 1.00 0.00 C ATOM 27 CE LYS A 24 3.382 22.614 -9.171 1.00 0.00 C ATOM 28 NZ LYS A 24 4.575 22.197 -9.934 1.00 0.00 N ATOM 0 H LYS A 24 2.146 23.428 -2.675 1.00 0.00 H new ATOM 0 HA LYS A 24 0.543 23.242 -5.182 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.095 24.119 -5.180 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.395 22.395 -5.093 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.569 22.294 -7.051 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.019 23.973 -7.277 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.456 23.230 -7.403 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.901 21.568 -7.356 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.546 21.961 -9.421 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.098 23.624 -9.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.367 22.237 -10.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.367 22.835 -9.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.832 21.224 -9.672 1.00 0.00 H new ATOM 42 N VAL A 25 1.159 20.551 -4.972 1.00 0.00 N ATOM 43 CA VAL A 25 1.041 19.159 -4.571 1.00 0.00 C ATOM 44 C VAL A 25 2.243 18.835 -3.658 1.00 0.00 C ATOM 45 O VAL A 25 3.373 19.236 -3.982 1.00 0.00 O ATOM 46 CB VAL A 25 0.881 18.280 -5.829 1.00 0.00 C ATOM 47 CG1 VAL A 25 2.199 17.845 -6.476 1.00 0.00 C ATOM 48 CG2 VAL A 25 0.036 17.040 -5.534 1.00 0.00 C ATOM 0 H VAL A 25 1.217 20.701 -5.979 1.00 0.00 H new ATOM 0 HA VAL A 25 0.149 18.949 -3.981 1.00 0.00 H new ATOM 0 HB VAL A 25 0.375 18.925 -6.548 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.989 17.232 -7.352 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.765 18.727 -6.777 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.783 17.267 -5.760 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.059 16.441 -6.439 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.518 16.448 -4.756 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.954 17.346 -5.196 1.00 0.00 H new ATOM 58 N PRO A 26 2.040 18.202 -2.490 1.00 0.00 N ATOM 59 CA PRO A 26 3.134 17.928 -1.567 1.00 0.00 C ATOM 60 C PRO A 26 4.080 16.883 -2.187 1.00 0.00 C ATOM 61 O PRO A 26 3.697 16.191 -3.134 1.00 0.00 O ATOM 62 CB PRO A 26 2.465 17.496 -0.257 1.00 0.00 C ATOM 63 CG PRO A 26 1.113 16.948 -0.691 1.00 0.00 C ATOM 64 CD PRO A 26 0.776 17.714 -1.966 1.00 0.00 C ATOM 0 HA PRO A 26 3.772 18.788 -1.365 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.054 16.739 0.260 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.353 18.336 0.429 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.161 15.875 -0.875 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.356 17.106 0.078 1.00 0.00 H new ATOM 0 HD2 PRO A 26 0.278 17.067 -2.689 1.00 0.00 H new ATOM 0 HD3 PRO A 26 0.096 18.540 -1.756 1.00 0.00 H new ATOM 72 N PRO A 27 5.314 16.734 -1.681 1.00 0.00 N ATOM 73 CA PRO A 27 6.372 15.946 -2.320 1.00 0.00 C ATOM 74 C PRO A 27 6.186 14.423 -2.216 1.00 0.00 C ATOM 75 O PRO A 27 7.140 13.681 -2.442 1.00 0.00 O ATOM 76 CB PRO A 27 7.664 16.423 -1.645 1.00 0.00 C ATOM 77 CG PRO A 27 7.203 16.805 -0.242 1.00 0.00 C ATOM 78 CD PRO A 27 5.837 17.424 -0.511 1.00 0.00 C ATOM 0 HA PRO A 27 6.372 16.108 -3.398 1.00 0.00 H new ATOM 0 HB2 PRO A 27 8.419 15.638 -1.621 1.00 0.00 H new ATOM 0 HB3 PRO A 27 8.103 17.272 -2.170 1.00 0.00 H new ATOM 0 HG2 PRO A 27 7.135 15.938 0.415 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.884 17.511 0.232 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.175 17.298 0.346 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.922 18.495 -0.694 1.00 0.00 H new ATOM 86 N HIS A 28 5.005 13.935 -1.831 1.00 0.00 N ATOM 87 CA HIS A 28 4.706 12.516 -1.724 1.00 0.00 C ATOM 88 C HIS A 28 4.764 11.830 -3.102 1.00 0.00 C ATOM 89 O HIS A 28 4.127 12.268 -4.072 1.00 0.00 O ATOM 90 CB HIS A 28 3.361 12.333 -0.999 1.00 0.00 C ATOM 91 CG HIS A 28 2.159 13.054 -1.566 1.00 0.00 C ATOM 92 ND1 HIS A 28 2.061 13.703 -2.775 1.00 0.00 N ATOM 93 CD2 HIS A 28 0.925 13.108 -0.982 1.00 0.00 C ATOM 94 CE1 HIS A 28 0.789 14.092 -2.937 1.00 0.00 C ATOM 95 NE2 HIS A 28 0.054 13.752 -1.865 1.00 0.00 N ATOM 0 H HIS A 28 4.217 14.532 -1.581 1.00 0.00 H new ATOM 0 HA HIS A 28 5.468 12.019 -1.124 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.134 11.267 -0.975 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.489 12.654 0.035 1.00 0.00 H new ATOM 0 HD1 HIS A 28 2.824 13.861 -3.434 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.667 12.720 -0.007 1.00 0.00 H new ATOM 0 HE1 HIS A 28 0.408 14.606 -3.807 1.00 0.00 H new ATOM 103 N SER A 29 5.546 10.759 -3.206 1.00 0.00 N ATOM 104 CA SER A 29 5.736 9.977 -4.421 1.00 0.00 C ATOM 105 C SER A 29 4.590 8.973 -4.553 1.00 0.00 C ATOM 106 O SER A 29 4.790 7.770 -4.418 1.00 0.00 O ATOM 107 CB SER A 29 7.112 9.301 -4.406 1.00 0.00 C ATOM 108 OG SER A 29 8.104 10.234 -4.027 1.00 0.00 O ATOM 0 H SER A 29 6.084 10.400 -2.417 1.00 0.00 H new ATOM 0 HA SER A 29 5.715 10.626 -5.297 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.106 8.461 -3.711 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.339 8.897 -5.393 1.00 0.00 H new ATOM 0 HG SER A 29 8.844 10.204 -4.669 1.00 0.00 H new ATOM 114 N ILE A 30 3.385 9.477 -4.812 1.00 0.00 N ATOM 115 CA ILE A 30 2.153 8.708 -4.911 1.00 0.00 C ATOM 116 C ILE A 30 2.339 7.506 -5.835 1.00 0.00 C ATOM 117 O ILE A 30 1.972 6.400 -5.462 1.00 0.00 O ATOM 118 CB ILE A 30 1.009 9.664 -5.348 1.00 0.00 C ATOM 119 CG1 ILE A 30 0.723 10.744 -4.282 1.00 0.00 C ATOM 120 CG2 ILE A 30 -0.322 8.992 -5.732 1.00 0.00 C ATOM 121 CD1 ILE A 30 0.603 10.208 -2.853 1.00 0.00 C ATOM 0 H ILE A 30 3.238 10.475 -4.964 1.00 0.00 H new ATOM 0 HA ILE A 30 1.879 8.286 -3.944 1.00 0.00 H new ATOM 0 HB ILE A 30 1.405 10.109 -6.261 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.520 11.487 -4.312 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.202 11.258 -4.543 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.045 9.755 -6.019 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.159 8.313 -6.569 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.706 8.431 -4.880 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.402 11.034 -2.170 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.214 9.488 -2.802 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.535 9.720 -2.568 1.00 0.00 H new ATOM 133 N GLU A 31 2.855 7.669 -7.047 1.00 0.00 N ATOM 134 CA GLU A 31 3.044 6.513 -7.917 1.00 0.00 C ATOM 135 C GLU A 31 4.091 5.513 -7.423 1.00 0.00 C ATOM 136 O GLU A 31 3.905 4.313 -7.600 1.00 0.00 O ATOM 137 CB GLU A 31 3.264 6.958 -9.349 1.00 0.00 C ATOM 138 CG GLU A 31 1.901 7.364 -9.923 1.00 0.00 C ATOM 139 CD GLU A 31 2.020 7.619 -11.425 1.00 0.00 C ATOM 140 OE1 GLU A 31 2.627 8.640 -11.823 1.00 0.00 O ATOM 141 OE2 GLU A 31 1.560 6.778 -12.230 1.00 0.00 O ATOM 0 H GLU A 31 3.143 8.564 -7.443 1.00 0.00 H new ATOM 0 HA GLU A 31 2.117 5.941 -7.883 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.960 7.796 -9.387 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.703 6.152 -9.937 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.170 6.577 -9.736 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.539 8.261 -9.421 1.00 0.00 H new ATOM 148 N ALA A 32 5.152 5.972 -6.759 1.00 0.00 N ATOM 149 CA ALA A 32 6.091 5.064 -6.108 1.00 0.00 C ATOM 150 C ALA A 32 5.370 4.274 -5.008 1.00 0.00 C ATOM 151 O ALA A 32 5.537 3.062 -4.933 1.00 0.00 O ATOM 152 CB ALA A 32 7.309 5.809 -5.556 1.00 0.00 C ATOM 0 H ALA A 32 5.380 6.961 -6.659 1.00 0.00 H new ATOM 0 HA ALA A 32 6.466 4.363 -6.854 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.984 5.099 -5.079 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.828 6.312 -6.372 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.983 6.547 -4.824 1.00 0.00 H new ATOM 158 N GLU A 33 4.540 4.932 -4.195 1.00 0.00 N ATOM 159 CA GLU A 33 3.696 4.302 -3.182 1.00 0.00 C ATOM 160 C GLU A 33 2.789 3.240 -3.818 1.00 0.00 C ATOM 161 O GLU A 33 2.690 2.127 -3.293 1.00 0.00 O ATOM 162 CB GLU A 33 2.836 5.361 -2.472 1.00 0.00 C ATOM 163 CG GLU A 33 3.555 6.270 -1.471 1.00 0.00 C ATOM 164 CD GLU A 33 2.635 7.409 -1.003 1.00 0.00 C ATOM 165 OE1 GLU A 33 1.423 7.169 -0.778 1.00 0.00 O ATOM 166 OE2 GLU A 33 3.139 8.545 -0.880 1.00 0.00 O ATOM 0 H GLU A 33 4.435 5.946 -4.226 1.00 0.00 H new ATOM 0 HA GLU A 33 4.344 3.818 -2.451 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.374 5.990 -3.233 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.029 4.849 -1.948 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.881 5.684 -0.611 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.451 6.687 -1.931 1.00 0.00 H new ATOM 173 N GLN A 34 2.150 3.564 -4.954 1.00 0.00 N ATOM 174 CA GLN A 34 1.333 2.624 -5.716 1.00 0.00 C ATOM 175 C GLN A 34 2.170 1.396 -6.069 1.00 0.00 C ATOM 176 O GLN A 34 1.753 0.274 -5.781 1.00 0.00 O ATOM 177 CB GLN A 34 0.755 3.235 -7.008 1.00 0.00 C ATOM 178 CG GLN A 34 -0.322 4.301 -6.779 1.00 0.00 C ATOM 179 CD GLN A 34 -0.934 4.822 -8.077 1.00 0.00 C ATOM 180 OE1 GLN A 34 -1.131 4.091 -9.048 1.00 0.00 O ATOM 181 NE2 GLN A 34 -1.256 6.104 -8.146 1.00 0.00 N ATOM 0 H GLN A 34 2.191 4.496 -5.367 1.00 0.00 H new ATOM 0 HA GLN A 34 0.487 2.351 -5.084 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.569 3.677 -7.582 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.333 2.435 -7.616 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.111 3.883 -6.154 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.112 5.135 -6.228 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.095 6.714 -7.345 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.665 6.482 -9.001 1.00 0.00 H new ATOM 190 N SER A 35 3.330 1.599 -6.689 1.00 0.00 N ATOM 191 CA SER A 35 4.180 0.531 -7.179 1.00 0.00 C ATOM 192 C SER A 35 4.857 -0.272 -6.062 1.00 0.00 C ATOM 193 O SER A 35 5.148 -1.443 -6.291 1.00 0.00 O ATOM 194 CB SER A 35 5.217 1.140 -8.119 1.00 0.00 C ATOM 195 OG SER A 35 4.582 1.723 -9.248 1.00 0.00 O ATOM 0 H SER A 35 3.707 2.530 -6.865 1.00 0.00 H new ATOM 0 HA SER A 35 3.553 -0.187 -7.708 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.797 1.896 -7.590 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.917 0.371 -8.445 1.00 0.00 H new ATOM 0 HG SER A 35 4.047 1.044 -9.709 1.00 0.00 H new ATOM 201 N VAL A 36 5.092 0.277 -4.867 1.00 0.00 N ATOM 202 CA VAL A 36 5.570 -0.504 -3.722 1.00 0.00 C ATOM 203 C VAL A 36 4.460 -1.453 -3.287 1.00 0.00 C ATOM 204 O VAL A 36 4.647 -2.666 -3.253 1.00 0.00 O ATOM 205 CB VAL A 36 6.034 0.406 -2.562 1.00 0.00 C ATOM 206 CG1 VAL A 36 6.290 -0.384 -1.268 1.00 0.00 C ATOM 207 CG2 VAL A 36 7.344 1.114 -2.922 1.00 0.00 C ATOM 0 H VAL A 36 4.958 1.268 -4.666 1.00 0.00 H new ATOM 0 HA VAL A 36 6.445 -1.083 -4.018 1.00 0.00 H new ATOM 0 HB VAL A 36 5.228 1.122 -2.401 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.614 0.299 -0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.372 -0.883 -0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.066 -1.129 -1.444 1.00 0.00 H new ATOM 0 HG21 VAL A 36 7.654 1.750 -2.093 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.117 0.371 -3.118 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.194 1.726 -3.812 1.00 0.00 H new ATOM 217 N LEU A 37 3.289 -0.916 -2.948 1.00 0.00 N ATOM 218 CA LEU A 37 2.195 -1.726 -2.423 1.00 0.00 C ATOM 219 C LEU A 37 1.675 -2.698 -3.485 1.00 0.00 C ATOM 220 O LEU A 37 1.236 -3.793 -3.161 1.00 0.00 O ATOM 221 CB LEU A 37 1.104 -0.782 -1.913 1.00 0.00 C ATOM 222 CG LEU A 37 1.478 -0.097 -0.585 1.00 0.00 C ATOM 223 CD1 LEU A 37 0.600 1.138 -0.395 1.00 0.00 C ATOM 224 CD2 LEU A 37 1.332 -1.003 0.640 1.00 0.00 C ATOM 0 H LEU A 37 3.075 0.078 -3.028 1.00 0.00 H new ATOM 0 HA LEU A 37 2.543 -2.343 -1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.909 -0.020 -2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.179 -1.343 -1.779 1.00 0.00 H new ATOM 0 HG LEU A 37 2.533 0.166 -0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.859 1.628 0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.761 1.830 -1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.448 0.839 -0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.613 -0.451 1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.297 -1.333 0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.982 -1.871 0.530 1.00 0.00 H new ATOM 236 N GLY A 38 1.760 -2.327 -4.761 1.00 0.00 N ATOM 237 CA GLY A 38 1.518 -3.204 -5.896 1.00 0.00 C ATOM 238 C GLY A 38 2.606 -4.271 -5.993 1.00 0.00 C ATOM 239 O GLY A 38 2.309 -5.454 -6.152 1.00 0.00 O ATOM 0 H GLY A 38 2.007 -1.377 -5.038 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.543 -3.680 -5.793 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.492 -2.619 -6.815 1.00 0.00 H new ATOM 243 N GLY A 39 3.863 -3.865 -5.821 1.00 0.00 N ATOM 244 CA GLY A 39 5.039 -4.716 -5.739 1.00 0.00 C ATOM 245 C GLY A 39 4.853 -5.818 -4.719 1.00 0.00 C ATOM 246 O GLY A 39 5.234 -6.953 -4.990 1.00 0.00 O ATOM 0 H GLY A 39 4.096 -2.876 -5.731 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.242 -5.153 -6.716 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.908 -4.114 -5.472 1.00 0.00 H new ATOM 250 N LEU A 40 4.268 -5.525 -3.559 1.00 0.00 N ATOM 251 CA LEU A 40 4.055 -6.510 -2.502 1.00 0.00 C ATOM 252 C LEU A 40 3.071 -7.601 -2.917 1.00 0.00 C ATOM 253 O LEU A 40 3.253 -8.758 -2.548 1.00 0.00 O ATOM 254 CB LEU A 40 3.605 -5.795 -1.226 1.00 0.00 C ATOM 255 CG LEU A 40 4.758 -5.069 -0.512 1.00 0.00 C ATOM 256 CD1 LEU A 40 4.188 -4.205 0.608 1.00 0.00 C ATOM 257 CD2 LEU A 40 5.771 -6.037 0.103 1.00 0.00 C ATOM 0 H LEU A 40 3.927 -4.593 -3.325 1.00 0.00 H new ATOM 0 HA LEU A 40 4.999 -7.019 -2.309 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.826 -5.074 -1.474 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.162 -6.521 -0.545 1.00 0.00 H new ATOM 0 HG LEU A 40 5.273 -4.469 -1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.001 -3.688 1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.499 -3.473 0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.656 -4.836 1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.563 -5.471 0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.270 -6.671 0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.202 -6.659 -0.681 1.00 0.00 H new ATOM 269 N MET A 41 2.091 -7.277 -3.765 1.00 0.00 N ATOM 270 CA MET A 41 1.217 -8.263 -4.402 1.00 0.00 C ATOM 271 C MET A 41 2.034 -9.206 -5.301 1.00 0.00 C ATOM 272 O MET A 41 1.564 -10.293 -5.649 1.00 0.00 O ATOM 273 CB MET A 41 0.117 -7.592 -5.243 1.00 0.00 C ATOM 274 CG MET A 41 -0.632 -6.440 -4.561 1.00 0.00 C ATOM 275 SD MET A 41 -1.518 -5.398 -5.749 1.00 0.00 S ATOM 276 CE MET A 41 -2.125 -4.081 -4.673 1.00 0.00 C ATOM 0 H MET A 41 1.881 -6.315 -4.030 1.00 0.00 H new ATOM 0 HA MET A 41 0.742 -8.833 -3.603 1.00 0.00 H new ATOM 0 HB2 MET A 41 0.567 -7.215 -6.162 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.609 -8.352 -5.532 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.340 -6.847 -3.839 1.00 0.00 H new ATOM 0 HG3 MET A 41 0.077 -5.829 -4.003 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.567 -3.291 -5.279 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.878 -4.483 -3.995 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.296 -3.673 -4.094 1.00 0.00 H new ATOM 286 N LEU A 42 3.187 -8.757 -5.801 1.00 0.00 N ATOM 287 CA LEU A 42 4.044 -9.416 -6.787 1.00 0.00 C ATOM 288 C LEU A 42 5.259 -10.087 -6.119 1.00 0.00 C ATOM 289 O LEU A 42 5.931 -10.896 -6.756 1.00 0.00 O ATOM 290 CB LEU A 42 4.452 -8.354 -7.828 1.00 0.00 C ATOM 291 CG LEU A 42 4.593 -8.873 -9.275 1.00 0.00 C ATOM 292 CD1 LEU A 42 4.369 -7.694 -10.222 1.00 0.00 C ATOM 293 CD2 LEU A 42 5.970 -9.471 -9.586 1.00 0.00 C ATOM 0 H LEU A 42 3.573 -7.860 -5.506 1.00 0.00 H new ATOM 0 HA LEU A 42 3.507 -10.224 -7.284 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.712 -7.554 -7.816 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.402 -7.915 -7.522 1.00 0.00 H new ATOM 0 HG LEU A 42 3.860 -9.669 -9.403 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.463 -8.033 -11.254 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.371 -7.285 -10.064 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.113 -6.922 -10.024 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.993 -9.814 -10.620 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.738 -8.712 -9.438 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.160 -10.313 -8.920 1.00 0.00 H new ATOM 305 N ASP A 43 5.550 -9.803 -4.848 1.00 0.00 N ATOM 306 CA ASP A 43 6.609 -10.423 -4.046 1.00 0.00 C ATOM 307 C ASP A 43 6.306 -10.163 -2.576 1.00 0.00 C ATOM 308 O ASP A 43 6.538 -9.062 -2.065 1.00 0.00 O ATOM 309 CB ASP A 43 7.993 -9.903 -4.437 1.00 0.00 C ATOM 310 CG ASP A 43 9.132 -10.508 -3.619 1.00 0.00 C ATOM 311 OD1 ASP A 43 8.912 -11.161 -2.575 1.00 0.00 O ATOM 312 OD2 ASP A 43 10.287 -10.350 -4.070 1.00 0.00 O ATOM 0 H ASP A 43 5.029 -9.100 -4.324 1.00 0.00 H new ATOM 0 HA ASP A 43 6.628 -11.497 -4.233 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.165 -10.113 -5.493 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.010 -8.819 -4.321 1.00 0.00 H new ATOM 317 N ASN A 44 5.740 -11.180 -1.925 1.00 0.00 N ATOM 318 CA ASN A 44 5.277 -11.103 -0.542 1.00 0.00 C ATOM 319 C ASN A 44 6.456 -10.965 0.431 1.00 0.00 C ATOM 320 O ASN A 44 6.296 -10.407 1.516 1.00 0.00 O ATOM 321 CB ASN A 44 4.474 -12.360 -0.147 1.00 0.00 C ATOM 322 CG ASN A 44 3.066 -12.496 -0.729 1.00 0.00 C ATOM 323 OD1 ASN A 44 2.112 -12.767 0.003 1.00 0.00 O ATOM 324 ND2 ASN A 44 2.892 -12.410 -2.032 1.00 0.00 N ATOM 0 H ASN A 44 5.589 -12.094 -2.352 1.00 0.00 H new ATOM 0 HA ASN A 44 4.638 -10.223 -0.477 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.049 -13.237 -0.444 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.395 -12.384 0.940 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.968 -12.568 -2.435 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.681 -12.186 -2.638 1.00 0.00 H new ATOM 331 N GLU A 45 7.635 -11.493 0.101 1.00 0.00 N ATOM 332 CA GLU A 45 8.834 -11.520 0.937 1.00 0.00 C ATOM 333 C GLU A 45 9.439 -10.140 1.133 1.00 0.00 C ATOM 334 O GLU A 45 10.077 -9.877 2.151 1.00 0.00 O ATOM 335 CB GLU A 45 9.841 -12.455 0.236 1.00 0.00 C ATOM 336 CG GLU A 45 10.360 -13.582 1.121 1.00 0.00 C ATOM 337 CD GLU A 45 11.820 -13.368 1.528 1.00 0.00 C ATOM 338 OE1 GLU A 45 12.720 -13.564 0.673 1.00 0.00 O ATOM 339 OE2 GLU A 45 12.089 -13.033 2.703 1.00 0.00 O ATOM 0 H GLU A 45 7.787 -11.937 -0.805 1.00 0.00 H new ATOM 0 HA GLU A 45 8.577 -11.876 1.935 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.367 -12.888 -0.645 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.687 -11.864 -0.115 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.741 -13.654 2.016 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.267 -14.530 0.592 1.00 0.00 H new ATOM 346 N ARG A 46 9.158 -9.211 0.223 1.00 0.00 N ATOM 347 CA ARG A 46 9.574 -7.831 0.411 1.00 0.00 C ATOM 348 C ARG A 46 8.716 -7.146 1.475 1.00 0.00 C ATOM 349 O ARG A 46 9.039 -6.005 1.795 1.00 0.00 O ATOM 350 CB ARG A 46 9.469 -7.081 -0.917 1.00 0.00 C ATOM 351 CG ARG A 46 10.407 -7.605 -2.017 1.00 0.00 C ATOM 352 CD ARG A 46 11.837 -7.053 -1.912 1.00 0.00 C ATOM 353 NE ARG A 46 12.807 -8.090 -1.546 1.00 0.00 N ATOM 354 CZ ARG A 46 14.024 -7.902 -1.033 1.00 0.00 C ATOM 355 NH1 ARG A 46 14.460 -6.680 -0.741 1.00 0.00 N ATOM 356 NH2 ARG A 46 14.804 -8.949 -0.812 1.00 0.00 N ATOM 0 H ARG A 46 8.649 -9.389 -0.643 1.00 0.00 H new ATOM 0 HA ARG A 46 10.609 -7.819 0.752 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.441 -7.141 -1.274 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.685 -6.027 -0.743 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.441 -8.693 -1.968 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.995 -7.343 -2.991 1.00 0.00 H new ATOM 0 HD2 ARG A 46 12.124 -6.610 -2.866 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.863 -6.256 -1.169 1.00 0.00 H new ATOM 0 HE ARG A 46 12.521 -9.057 -1.700 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.861 -5.871 -0.909 1.00 0.00 H new ATOM 0 HH12 ARG A 46 15.393 -6.551 -0.349 1.00 0.00 H new ATOM 0 HH21 ARG A 46 14.472 -9.888 -1.034 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.736 -8.817 -0.420 1.00 0.00 H new ATOM 370 N TRP A 47 7.692 -7.800 2.053 1.00 0.00 N ATOM 371 CA TRP A 47 6.939 -7.258 3.182 1.00 0.00 C ATOM 372 C TRP A 47 7.907 -6.771 4.244 1.00 0.00 C ATOM 373 O TRP A 47 7.848 -5.616 4.643 1.00 0.00 O ATOM 374 CB TRP A 47 5.970 -8.275 3.813 1.00 0.00 C ATOM 375 CG TRP A 47 5.344 -7.716 5.059 1.00 0.00 C ATOM 376 CD1 TRP A 47 5.786 -7.904 6.326 1.00 0.00 C ATOM 377 CD2 TRP A 47 4.352 -6.656 5.141 1.00 0.00 C ATOM 378 NE1 TRP A 47 5.152 -7.016 7.174 1.00 0.00 N ATOM 379 CE2 TRP A 47 4.291 -6.189 6.485 1.00 0.00 C ATOM 380 CE3 TRP A 47 3.577 -5.974 4.183 1.00 0.00 C ATOM 381 CZ2 TRP A 47 3.520 -5.076 6.855 1.00 0.00 C ATOM 382 CZ3 TRP A 47 2.793 -4.866 4.543 1.00 0.00 C ATOM 383 CH2 TRP A 47 2.772 -4.408 5.869 1.00 0.00 C ATOM 0 H TRP A 47 7.369 -8.717 1.746 1.00 0.00 H new ATOM 0 HA TRP A 47 6.334 -6.439 2.793 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.192 -8.536 3.096 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.505 -9.194 4.051 1.00 0.00 H new ATOM 0 HD1 TRP A 47 6.521 -8.636 6.627 1.00 0.00 H new ATOM 0 HE1 TRP A 47 5.302 -6.977 8.182 1.00 0.00 H new ATOM 0 HE3 TRP A 47 3.586 -6.308 3.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 3.501 -4.738 7.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.201 -4.362 3.793 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.182 -3.543 6.132 1.00 0.00 H new ATOM 394 N ASP A 48 8.820 -7.640 4.675 1.00 0.00 N ATOM 395 CA ASP A 48 9.758 -7.288 5.746 1.00 0.00 C ATOM 396 C ASP A 48 10.692 -6.170 5.334 1.00 0.00 C ATOM 397 O ASP A 48 11.233 -5.470 6.186 1.00 0.00 O ATOM 398 CB ASP A 48 10.597 -8.523 6.106 1.00 0.00 C ATOM 399 CG ASP A 48 10.190 -9.211 7.411 1.00 0.00 C ATOM 400 OD1 ASP A 48 8.994 -9.213 7.791 1.00 0.00 O ATOM 401 OD2 ASP A 48 11.075 -9.818 8.055 1.00 0.00 O ATOM 0 H ASP A 48 8.932 -8.584 4.305 1.00 0.00 H new ATOM 0 HA ASP A 48 9.175 -6.947 6.602 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.525 -9.245 5.292 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.644 -8.227 6.178 1.00 0.00 H new ATOM 406 N ASP A 49 10.934 -6.021 4.042 1.00 0.00 N ATOM 407 CA ASP A 49 11.885 -5.051 3.534 1.00 0.00 C ATOM 408 C ASP A 49 11.262 -3.667 3.562 1.00 0.00 C ATOM 409 O ASP A 49 11.825 -2.725 4.113 1.00 0.00 O ATOM 410 CB ASP A 49 12.347 -5.447 2.131 1.00 0.00 C ATOM 411 CG ASP A 49 13.793 -5.025 1.973 1.00 0.00 C ATOM 412 OD1 ASP A 49 14.680 -5.814 2.378 1.00 0.00 O ATOM 413 OD2 ASP A 49 14.054 -3.916 1.457 1.00 0.00 O ATOM 0 H ASP A 49 10.475 -6.571 3.316 1.00 0.00 H new ATOM 0 HA ASP A 49 12.770 -5.032 4.170 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.247 -6.523 1.987 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.726 -4.965 1.376 1.00 0.00 H new ATOM 418 N VAL A 50 10.050 -3.572 3.025 1.00 0.00 N ATOM 419 CA VAL A 50 9.221 -2.387 3.014 1.00 0.00 C ATOM 420 C VAL A 50 8.854 -2.022 4.458 1.00 0.00 C ATOM 421 O VAL A 50 9.036 -0.867 4.836 1.00 0.00 O ATOM 422 CB VAL A 50 8.014 -2.692 2.108 1.00 0.00 C ATOM 423 CG1 VAL A 50 6.999 -1.535 2.106 1.00 0.00 C ATOM 424 CG2 VAL A 50 8.452 -2.903 0.644 1.00 0.00 C ATOM 0 H VAL A 50 9.603 -4.364 2.564 1.00 0.00 H new ATOM 0 HA VAL A 50 9.727 -1.511 2.609 1.00 0.00 H new ATOM 0 HB VAL A 50 7.559 -3.597 2.511 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.161 -1.787 1.456 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.634 -1.369 3.120 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.482 -0.628 1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.577 -3.116 0.030 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.942 -2.001 0.277 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.147 -3.741 0.589 1.00 0.00 H new ATOM 434 N ALA A 51 8.434 -2.964 5.304 1.00 0.00 N ATOM 435 CA ALA A 51 8.134 -2.716 6.711 1.00 0.00 C ATOM 436 C ALA A 51 9.374 -2.331 7.524 1.00 0.00 C ATOM 437 O ALA A 51 9.243 -1.863 8.656 1.00 0.00 O ATOM 438 CB ALA A 51 7.450 -3.940 7.330 1.00 0.00 C ATOM 0 H ALA A 51 8.291 -3.935 5.025 1.00 0.00 H new ATOM 0 HA ALA A 51 7.457 -1.862 6.746 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.231 -3.743 8.379 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.521 -4.145 6.798 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.111 -4.804 7.253 1.00 0.00 H new ATOM 444 N GLU A 52 10.581 -2.505 6.989 1.00 0.00 N ATOM 445 CA GLU A 52 11.832 -1.996 7.519 1.00 0.00 C ATOM 446 C GLU A 52 12.298 -0.701 6.837 1.00 0.00 C ATOM 447 O GLU A 52 13.380 -0.185 7.133 1.00 0.00 O ATOM 448 CB GLU A 52 12.931 -3.069 7.590 1.00 0.00 C ATOM 449 CG GLU A 52 12.703 -4.048 8.750 1.00 0.00 C ATOM 450 CD GLU A 52 13.992 -4.709 9.239 1.00 0.00 C ATOM 451 OE1 GLU A 52 14.862 -5.081 8.417 1.00 0.00 O ATOM 452 OE2 GLU A 52 14.153 -4.797 10.479 1.00 0.00 O ATOM 0 H GLU A 52 10.713 -3.035 6.127 1.00 0.00 H new ATOM 0 HA GLU A 52 11.621 -1.718 8.552 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.961 -3.621 6.650 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.902 -2.587 7.708 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.237 -3.517 9.580 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.003 -4.821 8.433 1.00 0.00 H new ATOM 459 N ARG A 53 11.520 -0.140 5.911 1.00 0.00 N ATOM 460 CA ARG A 53 11.724 1.198 5.356 1.00 0.00 C ATOM 461 C ARG A 53 10.654 2.146 5.883 1.00 0.00 C ATOM 462 O ARG A 53 10.979 3.288 6.205 1.00 0.00 O ATOM 463 CB ARG A 53 11.661 1.188 3.807 1.00 0.00 C ATOM 464 CG ARG A 53 12.996 1.091 3.048 1.00 0.00 C ATOM 465 CD ARG A 53 13.608 -0.311 2.997 1.00 0.00 C ATOM 466 NE ARG A 53 14.128 -0.699 4.309 1.00 0.00 N ATOM 467 CZ ARG A 53 14.904 -1.744 4.590 1.00 0.00 C ATOM 468 NH1 ARG A 53 15.199 -2.666 3.684 1.00 0.00 N ATOM 469 NH2 ARG A 53 15.434 -1.815 5.802 1.00 0.00 N ATOM 0 H ARG A 53 10.709 -0.616 5.516 1.00 0.00 H new ATOM 0 HA ARG A 53 12.714 1.534 5.663 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.037 0.349 3.500 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.154 2.097 3.484 1.00 0.00 H new ATOM 0 HG2 ARG A 53 12.843 1.442 2.028 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.712 1.768 3.514 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.856 -1.030 2.672 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.411 -0.336 2.261 1.00 0.00 H new ATOM 0 HE ARG A 53 13.867 -0.103 5.095 1.00 0.00 H new ATOM 0 HH11 ARG A 53 14.828 -2.588 2.737 1.00 0.00 H new ATOM 0 HH12 ARG A 53 15.797 -3.454 3.934 1.00 0.00 H new ATOM 0 HH21 ARG A 53 15.243 -1.083 6.486 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.033 -2.602 6.051 1.00 0.00 H new ATOM 483 N VAL A 54 9.410 1.691 6.003 1.00 0.00 N ATOM 484 CA VAL A 54 8.278 2.574 6.250 1.00 0.00 C ATOM 485 C VAL A 54 7.241 1.984 7.204 1.00 0.00 C ATOM 486 O VAL A 54 7.327 0.820 7.598 1.00 0.00 O ATOM 487 CB VAL A 54 7.632 2.869 4.878 1.00 0.00 C ATOM 488 CG1 VAL A 54 8.413 3.908 4.068 1.00 0.00 C ATOM 489 CG2 VAL A 54 7.434 1.624 3.996 1.00 0.00 C ATOM 0 H VAL A 54 9.161 0.705 5.932 1.00 0.00 H new ATOM 0 HA VAL A 54 8.639 3.479 6.739 1.00 0.00 H new ATOM 0 HB VAL A 54 6.651 3.264 5.141 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.914 4.076 3.114 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.457 4.844 4.624 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.425 3.544 3.889 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.976 1.917 3.051 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.400 1.158 3.802 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.786 0.914 4.509 1.00 0.00 H new ATOM 499 N VAL A 55 6.250 2.796 7.565 1.00 0.00 N ATOM 500 CA VAL A 55 5.033 2.406 8.267 1.00 0.00 C ATOM 501 C VAL A 55 3.846 2.759 7.362 1.00 0.00 C ATOM 502 O VAL A 55 4.031 3.427 6.343 1.00 0.00 O ATOM 503 CB VAL A 55 4.945 3.093 9.644 1.00 0.00 C ATOM 504 CG1 VAL A 55 6.148 2.742 10.522 1.00 0.00 C ATOM 505 CG2 VAL A 55 4.816 4.624 9.585 1.00 0.00 C ATOM 0 H VAL A 55 6.277 3.796 7.364 1.00 0.00 H new ATOM 0 HA VAL A 55 5.029 1.335 8.469 1.00 0.00 H new ATOM 0 HB VAL A 55 4.024 2.704 10.078 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.054 3.243 11.485 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.184 1.664 10.676 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.065 3.069 10.031 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.760 5.024 10.598 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.684 5.043 9.077 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.912 4.892 9.039 1.00 0.00 H new ATOM 515 N ALA A 56 2.625 2.371 7.739 1.00 0.00 N ATOM 516 CA ALA A 56 1.434 2.727 6.978 1.00 0.00 C ATOM 517 C ALA A 56 1.308 4.238 6.813 1.00 0.00 C ATOM 518 O ALA A 56 1.072 4.713 5.710 1.00 0.00 O ATOM 519 CB ALA A 56 0.170 2.189 7.661 1.00 0.00 C ATOM 0 H ALA A 56 2.439 1.809 8.570 1.00 0.00 H new ATOM 0 HA ALA A 56 1.537 2.273 5.992 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.706 2.467 7.075 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.229 1.103 7.733 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.088 2.614 8.661 1.00 0.00 H new ATOM 525 N ASP A 57 1.459 4.991 7.904 1.00 0.00 N ATOM 526 CA ASP A 57 1.123 6.416 7.927 1.00 0.00 C ATOM 527 C ASP A 57 1.945 7.299 6.990 1.00 0.00 C ATOM 528 O ASP A 57 1.512 8.397 6.631 1.00 0.00 O ATOM 529 CB ASP A 57 1.252 6.950 9.352 1.00 0.00 C ATOM 530 CG ASP A 57 0.328 8.149 9.559 1.00 0.00 C ATOM 531 OD1 ASP A 57 -0.883 8.021 9.266 1.00 0.00 O ATOM 532 OD2 ASP A 57 0.795 9.210 10.031 1.00 0.00 O ATOM 0 H ASP A 57 1.815 4.634 8.791 1.00 0.00 H new ATOM 0 HA ASP A 57 0.098 6.471 7.561 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.003 6.164 10.065 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.284 7.241 9.546 1.00 0.00 H new ATOM 537 N ASP A 58 3.124 6.823 6.598 1.00 0.00 N ATOM 538 CA ASP A 58 4.024 7.445 5.631 1.00 0.00 C ATOM 539 C ASP A 58 3.308 7.607 4.283 1.00 0.00 C ATOM 540 O ASP A 58 3.445 8.637 3.613 1.00 0.00 O ATOM 541 CB ASP A 58 5.272 6.562 5.473 1.00 0.00 C ATOM 542 CG ASP A 58 6.153 6.504 6.724 1.00 0.00 C ATOM 543 OD1 ASP A 58 6.075 7.422 7.570 1.00 0.00 O ATOM 544 OD2 ASP A 58 6.915 5.524 6.878 1.00 0.00 O ATOM 0 H ASP A 58 3.497 5.947 6.966 1.00 0.00 H new ATOM 0 HA ASP A 58 4.323 8.432 5.983 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.959 5.551 5.214 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.866 6.936 4.639 1.00 0.00 H new ATOM 549 N PHE A 59 2.513 6.603 3.899 1.00 0.00 N ATOM 550 CA PHE A 59 1.678 6.587 2.709 1.00 0.00 C ATOM 551 C PHE A 59 0.485 7.503 2.977 1.00 0.00 C ATOM 552 O PHE A 59 -0.354 7.228 3.837 1.00 0.00 O ATOM 553 CB PHE A 59 1.220 5.157 2.390 1.00 0.00 C ATOM 554 CG PHE A 59 2.325 4.146 2.125 1.00 0.00 C ATOM 555 CD1 PHE A 59 3.080 3.620 3.187 1.00 0.00 C ATOM 556 CD2 PHE A 59 2.568 3.675 0.823 1.00 0.00 C ATOM 557 CE1 PHE A 59 4.038 2.624 2.958 1.00 0.00 C ATOM 558 CE2 PHE A 59 3.514 2.663 0.587 1.00 0.00 C ATOM 559 CZ PHE A 59 4.224 2.107 1.665 1.00 0.00 C ATOM 0 H PHE A 59 2.436 5.742 4.440 1.00 0.00 H new ATOM 0 HA PHE A 59 2.235 6.941 1.842 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.617 4.796 3.223 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.569 5.192 1.516 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.920 3.987 4.190 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.020 4.097 -0.007 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.635 2.253 3.778 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.695 2.314 -0.419 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.908 1.288 1.500 1.00 0.00 H new ATOM 569 N TYR A 60 0.433 8.635 2.280 1.00 0.00 N ATOM 570 CA TYR A 60 -0.512 9.695 2.602 1.00 0.00 C ATOM 571 C TYR A 60 -1.960 9.358 2.227 1.00 0.00 C ATOM 572 O TYR A 60 -2.887 9.756 2.945 1.00 0.00 O ATOM 573 CB TYR A 60 -0.075 10.977 1.886 1.00 0.00 C ATOM 574 CG TYR A 60 -1.044 12.129 2.076 1.00 0.00 C ATOM 575 CD1 TYR A 60 -1.160 12.740 3.338 1.00 0.00 C ATOM 576 CD2 TYR A 60 -1.886 12.534 1.023 1.00 0.00 C ATOM 577 CE1 TYR A 60 -2.140 13.721 3.562 1.00 0.00 C ATOM 578 CE2 TYR A 60 -2.870 13.512 1.244 1.00 0.00 C ATOM 579 CZ TYR A 60 -3.030 14.077 2.527 1.00 0.00 C ATOM 580 OH TYR A 60 -4.048 14.946 2.767 1.00 0.00 O ATOM 0 H TYR A 60 1.038 8.840 1.485 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.500 9.824 3.684 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.908 11.273 2.253 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.031 10.772 0.821 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.493 12.454 4.138 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.775 12.092 0.044 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.212 14.202 4.526 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.505 13.832 0.431 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.563 15.081 1.945 1.00 0.00 H new ATOM 590 N THR A 61 -2.175 8.691 1.091 1.00 0.00 N ATOM 591 CA THR A 61 -3.514 8.534 0.528 1.00 0.00 C ATOM 592 C THR A 61 -4.299 7.513 1.346 1.00 0.00 C ATOM 593 O THR A 61 -3.707 6.618 1.959 1.00 0.00 O ATOM 594 CB THR A 61 -3.451 8.148 -0.967 1.00 0.00 C ATOM 595 OG1 THR A 61 -3.335 6.759 -1.161 1.00 0.00 O ATOM 596 CG2 THR A 61 -2.281 8.796 -1.708 1.00 0.00 C ATOM 0 H THR A 61 -1.436 8.251 0.543 1.00 0.00 H new ATOM 0 HA THR A 61 -4.035 9.490 0.582 1.00 0.00 H new ATOM 0 HB THR A 61 -4.395 8.515 -1.371 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.539 6.541 -2.094 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.294 8.484 -2.752 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.371 9.881 -1.652 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.343 8.486 -1.249 1.00 0.00 H new ATOM 604 N ARG A 62 -5.635 7.592 1.341 1.00 0.00 N ATOM 605 CA ARG A 62 -6.437 6.534 1.945 1.00 0.00 C ATOM 606 C ARG A 62 -6.133 5.183 1.308 1.00 0.00 C ATOM 607 O ARG A 62 -5.762 4.302 2.075 1.00 0.00 O ATOM 608 CB ARG A 62 -7.939 6.850 1.952 1.00 0.00 C ATOM 609 CG ARG A 62 -8.334 7.453 3.306 1.00 0.00 C ATOM 610 CD ARG A 62 -9.850 7.617 3.418 1.00 0.00 C ATOM 611 NE ARG A 62 -10.240 8.166 4.716 1.00 0.00 N ATOM 612 CZ ARG A 62 -10.248 7.546 5.895 1.00 0.00 C ATOM 613 NH1 ARG A 62 -9.957 6.256 6.012 1.00 0.00 N ATOM 614 NH2 ARG A 62 -10.548 8.242 6.980 1.00 0.00 N ATOM 0 H ARG A 62 -6.169 8.360 0.935 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.146 6.477 2.994 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.177 7.547 1.149 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.512 5.942 1.766 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.975 6.812 4.111 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.851 8.422 3.430 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.205 8.274 2.624 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -10.332 6.651 3.272 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.542 9.140 4.719 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.718 5.710 5.184 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.972 5.811 6.930 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.768 9.235 6.904 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.559 7.785 7.892 1.00 0.00 H new ATOM 628 N PRO A 63 -6.243 4.967 -0.019 1.00 0.00 N ATOM 629 CA PRO A 63 -6.028 3.639 -0.577 1.00 0.00 C ATOM 630 C PRO A 63 -4.657 3.076 -0.230 1.00 0.00 C ATOM 631 O PRO A 63 -4.578 1.922 0.179 1.00 0.00 O ATOM 632 CB PRO A 63 -6.255 3.740 -2.090 1.00 0.00 C ATOM 633 CG PRO A 63 -6.292 5.237 -2.377 1.00 0.00 C ATOM 634 CD PRO A 63 -6.726 5.868 -1.054 1.00 0.00 C ATOM 0 HA PRO A 63 -6.732 2.931 -0.140 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.454 3.250 -2.644 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.187 3.257 -2.384 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.315 5.605 -2.691 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.994 5.471 -3.178 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -6.301 6.865 -0.936 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.810 5.975 -1.007 1.00 0.00 H new ATOM 642 N HIS A 64 -3.592 3.869 -0.347 1.00 0.00 N ATOM 643 CA HIS A 64 -2.251 3.364 -0.095 1.00 0.00 C ATOM 644 C HIS A 64 -2.126 2.949 1.381 1.00 0.00 C ATOM 645 O HIS A 64 -1.664 1.849 1.688 1.00 0.00 O ATOM 646 CB HIS A 64 -1.203 4.414 -0.495 1.00 0.00 C ATOM 647 CG HIS A 64 -1.228 4.901 -1.933 1.00 0.00 C ATOM 648 ND1 HIS A 64 -0.402 5.882 -2.440 1.00 0.00 N ATOM 649 CD2 HIS A 64 -2.070 4.518 -2.946 1.00 0.00 C ATOM 650 CE1 HIS A 64 -0.697 6.040 -3.742 1.00 0.00 C ATOM 651 NE2 HIS A 64 -1.759 5.290 -4.070 1.00 0.00 N ATOM 0 H HIS A 64 -3.635 4.853 -0.612 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.067 2.480 -0.706 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.324 5.279 0.157 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -0.215 3.999 -0.295 1.00 0.00 H new ATOM 0 HD1 HIS A 64 0.308 6.397 -1.919 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.835 3.758 -2.886 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -0.157 6.679 -4.425 1.00 0.00 H new ATOM 659 N ARG A 65 -2.601 3.789 2.307 1.00 0.00 N ATOM 660 CA ARG A 65 -2.594 3.466 3.733 1.00 0.00 C ATOM 661 C ARG A 65 -3.423 2.241 4.056 1.00 0.00 C ATOM 662 O ARG A 65 -2.970 1.380 4.808 1.00 0.00 O ATOM 663 CB ARG A 65 -3.099 4.650 4.554 1.00 0.00 C ATOM 664 CG ARG A 65 -2.383 4.701 5.905 1.00 0.00 C ATOM 665 CD ARG A 65 -2.889 5.863 6.745 1.00 0.00 C ATOM 666 NE ARG A 65 -4.322 5.728 7.050 1.00 0.00 N ATOM 667 CZ ARG A 65 -5.104 6.734 7.437 1.00 0.00 C ATOM 668 NH1 ARG A 65 -4.554 7.899 7.758 1.00 0.00 N ATOM 669 NH2 ARG A 65 -6.421 6.574 7.520 1.00 0.00 N ATOM 0 H ARG A 65 -2.997 4.703 2.089 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.559 3.247 3.996 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.929 5.579 4.009 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.175 4.563 4.707 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.541 3.765 6.440 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.309 4.801 5.748 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.322 5.915 7.674 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.716 6.799 6.214 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.744 4.804 6.959 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.542 8.017 7.707 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.143 8.676 8.056 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.841 5.674 7.286 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.011 7.351 7.817 1.00 0.00 H new ATOM 683 N HIS A 66 -4.642 2.185 3.529 1.00 0.00 N ATOM 684 CA HIS A 66 -5.542 1.055 3.668 1.00 0.00 C ATOM 685 C HIS A 66 -4.822 -0.223 3.262 1.00 0.00 C ATOM 686 O HIS A 66 -4.813 -1.170 4.040 1.00 0.00 O ATOM 687 CB HIS A 66 -6.788 1.245 2.797 1.00 0.00 C ATOM 688 CG HIS A 66 -7.821 2.205 3.323 1.00 0.00 C ATOM 689 ND1 HIS A 66 -8.461 3.216 2.642 1.00 0.00 N ATOM 690 CD2 HIS A 66 -8.437 2.082 4.527 1.00 0.00 C ATOM 691 CE1 HIS A 66 -9.381 3.741 3.460 1.00 0.00 C ATOM 692 NE2 HIS A 66 -9.384 3.110 4.647 1.00 0.00 N ATOM 0 H HIS A 66 -5.038 2.947 2.979 1.00 0.00 H new ATOM 0 HA HIS A 66 -5.855 0.985 4.710 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -6.470 1.588 1.813 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -7.261 0.273 2.658 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -8.233 1.322 5.266 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -10.034 4.562 3.201 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -9.955 3.332 5.463 1.00 0.00 H new ATOM 700 N ILE A 67 -4.208 -0.253 2.077 1.00 0.00 N ATOM 701 CA ILE A 67 -3.525 -1.436 1.575 1.00 0.00 C ATOM 702 C ILE A 67 -2.376 -1.800 2.515 1.00 0.00 C ATOM 703 O ILE A 67 -2.262 -2.972 2.856 1.00 0.00 O ATOM 704 CB ILE A 67 -3.091 -1.228 0.108 1.00 0.00 C ATOM 705 CG1 ILE A 67 -4.344 -1.089 -0.788 1.00 0.00 C ATOM 706 CG2 ILE A 67 -2.248 -2.414 -0.404 1.00 0.00 C ATOM 707 CD1 ILE A 67 -4.039 -0.377 -2.107 1.00 0.00 C ATOM 0 H ILE A 67 -4.173 0.545 1.442 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.203 -2.289 1.563 1.00 0.00 H new ATOM 0 HB ILE A 67 -2.485 -0.323 0.065 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.750 -2.079 -0.997 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.114 -0.537 -0.249 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.959 -2.235 -1.440 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.353 -2.516 0.210 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.835 -3.330 -0.344 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.950 -0.304 -2.700 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.659 0.624 -1.901 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.290 -0.942 -2.661 1.00 0.00 H new ATOM 719 N PHE A 68 -1.564 -0.843 2.985 1.00 0.00 N ATOM 720 CA PHE A 68 -0.523 -1.153 3.966 1.00 0.00 C ATOM 721 C PHE A 68 -1.142 -1.797 5.204 1.00 0.00 C ATOM 722 O PHE A 68 -0.659 -2.827 5.664 1.00 0.00 O ATOM 723 CB PHE A 68 0.283 0.096 4.359 1.00 0.00 C ATOM 724 CG PHE A 68 1.561 -0.207 5.137 1.00 0.00 C ATOM 725 CD1 PHE A 68 1.533 -0.728 6.448 1.00 0.00 C ATOM 726 CD2 PHE A 68 2.806 0.048 4.540 1.00 0.00 C ATOM 727 CE1 PHE A 68 2.729 -1.002 7.138 1.00 0.00 C ATOM 728 CE2 PHE A 68 4.002 -0.239 5.220 1.00 0.00 C ATOM 729 CZ PHE A 68 3.967 -0.767 6.520 1.00 0.00 C ATOM 0 H PHE A 68 -1.608 0.137 2.705 1.00 0.00 H new ATOM 0 HA PHE A 68 0.169 -1.856 3.503 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.543 0.647 3.455 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.349 0.749 4.960 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.584 -0.919 6.927 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.845 0.470 3.546 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.694 -1.393 8.144 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.952 -0.053 4.740 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.886 -0.991 7.041 1.00 0.00 H new ATOM 739 N THR A 69 -2.190 -1.185 5.753 1.00 0.00 N ATOM 740 CA THR A 69 -2.832 -1.617 6.985 1.00 0.00 C ATOM 741 C THR A 69 -3.423 -3.017 6.811 1.00 0.00 C ATOM 742 O THR A 69 -3.321 -3.829 7.732 1.00 0.00 O ATOM 743 CB THR A 69 -3.887 -0.570 7.399 1.00 0.00 C ATOM 744 OG1 THR A 69 -3.325 0.731 7.402 1.00 0.00 O ATOM 745 CG2 THR A 69 -4.459 -0.812 8.798 1.00 0.00 C ATOM 0 H THR A 69 -2.623 -0.358 5.342 1.00 0.00 H new ATOM 0 HA THR A 69 -2.101 -1.687 7.790 1.00 0.00 H new ATOM 0 HB THR A 69 -4.688 -0.662 6.665 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.318 1.086 6.489 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.195 -0.042 9.029 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.936 -1.791 8.832 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.654 -0.776 9.532 1.00 0.00 H new ATOM 753 N GLU A 70 -3.994 -3.315 5.643 1.00 0.00 N ATOM 754 CA GLU A 70 -4.544 -4.614 5.314 1.00 0.00 C ATOM 755 C GLU A 70 -3.425 -5.639 5.194 1.00 0.00 C ATOM 756 O GLU A 70 -3.500 -6.682 5.827 1.00 0.00 O ATOM 757 CB GLU A 70 -5.345 -4.551 4.004 1.00 0.00 C ATOM 758 CG GLU A 70 -6.141 -5.852 3.831 1.00 0.00 C ATOM 759 CD GLU A 70 -7.229 -5.962 4.896 1.00 0.00 C ATOM 760 OE1 GLU A 70 -8.034 -5.023 5.052 1.00 0.00 O ATOM 761 OE2 GLU A 70 -7.224 -6.969 5.637 1.00 0.00 O ATOM 0 H GLU A 70 -4.085 -2.637 4.886 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.219 -4.915 6.115 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.022 -3.697 4.019 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.671 -4.409 3.159 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.592 -5.880 2.839 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.469 -6.708 3.900 1.00 0.00 H new ATOM 768 N MET A 71 -2.387 -5.357 4.405 1.00 0.00 N ATOM 769 CA MET A 71 -1.252 -6.252 4.224 1.00 0.00 C ATOM 770 C MET A 71 -0.610 -6.562 5.575 1.00 0.00 C ATOM 771 O MET A 71 -0.345 -7.722 5.885 1.00 0.00 O ATOM 772 CB MET A 71 -0.230 -5.622 3.272 1.00 0.00 C ATOM 773 CG MET A 71 -0.701 -5.606 1.820 1.00 0.00 C ATOM 774 SD MET A 71 0.576 -5.059 0.661 1.00 0.00 S ATOM 775 CE MET A 71 -0.155 -5.652 -0.886 1.00 0.00 C ATOM 0 H MET A 71 -2.314 -4.492 3.870 1.00 0.00 H new ATOM 0 HA MET A 71 -1.602 -7.186 3.784 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.024 -4.601 3.593 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.708 -6.173 3.338 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.031 -6.607 1.541 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.567 -4.949 1.733 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.565 -6.279 -1.412 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.050 -6.233 -0.666 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.420 -4.801 -1.513 1.00 0.00 H new ATOM 785 N ALA A 72 -0.422 -5.535 6.407 1.00 0.00 N ATOM 786 CA ALA A 72 0.061 -5.678 7.765 1.00 0.00 C ATOM 787 C ALA A 72 -0.863 -6.600 8.560 1.00 0.00 C ATOM 788 O ALA A 72 -0.372 -7.515 9.220 1.00 0.00 O ATOM 789 CB ALA A 72 0.184 -4.298 8.421 1.00 0.00 C ATOM 0 H ALA A 72 -0.607 -4.567 6.143 1.00 0.00 H new ATOM 0 HA ALA A 72 1.051 -6.135 7.753 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.548 -4.412 9.442 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.884 -3.686 7.852 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.792 -3.814 8.435 1.00 0.00 H new ATOM 795 N ARG A 73 -2.179 -6.370 8.538 1.00 0.00 N ATOM 796 CA ARG A 73 -3.134 -7.187 9.288 1.00 0.00 C ATOM 797 C ARG A 73 -3.215 -8.620 8.750 1.00 0.00 C ATOM 798 O ARG A 73 -3.419 -9.537 9.537 1.00 0.00 O ATOM 799 CB ARG A 73 -4.507 -6.496 9.305 1.00 0.00 C ATOM 800 CG ARG A 73 -5.448 -7.081 10.370 1.00 0.00 C ATOM 801 CD ARG A 73 -6.720 -6.231 10.456 1.00 0.00 C ATOM 802 NE ARG A 73 -7.630 -6.693 11.515 1.00 0.00 N ATOM 803 CZ ARG A 73 -8.782 -7.355 11.358 1.00 0.00 C ATOM 804 NH1 ARG A 73 -9.128 -7.872 10.189 1.00 0.00 N ATOM 805 NH2 ARG A 73 -9.595 -7.500 12.394 1.00 0.00 N ATOM 0 H ARG A 73 -2.609 -5.616 8.002 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.780 -7.275 10.315 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.371 -5.431 9.491 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.971 -6.592 8.323 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.703 -8.110 10.118 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.948 -7.104 11.338 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.448 -5.192 10.642 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -7.238 -6.258 9.497 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.352 -6.486 12.474 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -8.511 -7.770 9.383 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.012 -8.373 10.094 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.340 -7.109 13.301 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -10.476 -8.003 12.285 1.00 0.00 H new ATOM 819 N LEU A 74 -3.052 -8.851 7.449 1.00 0.00 N ATOM 820 CA LEU A 74 -3.005 -10.168 6.839 1.00 0.00 C ATOM 821 C LEU A 74 -1.778 -10.919 7.316 1.00 0.00 C ATOM 822 O LEU A 74 -1.912 -12.042 7.796 1.00 0.00 O ATOM 823 CB LEU A 74 -3.003 -10.024 5.312 1.00 0.00 C ATOM 824 CG LEU A 74 -4.427 -9.896 4.754 1.00 0.00 C ATOM 825 CD1 LEU A 74 -4.387 -9.367 3.319 1.00 0.00 C ATOM 826 CD2 LEU A 74 -5.153 -11.251 4.772 1.00 0.00 C ATOM 0 H LEU A 74 -2.946 -8.096 6.771 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.885 -10.739 7.134 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.421 -9.147 5.030 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.513 -10.889 4.865 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.971 -9.197 5.389 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.403 -9.281 2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.910 -8.387 3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.820 -10.056 2.693 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.159 -11.130 4.371 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.603 -11.967 4.161 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.212 -11.618 5.796 1.00 0.00 H new ATOM 838 N GLN A 75 -0.602 -10.299 7.240 1.00 0.00 N ATOM 839 CA GLN A 75 0.641 -10.889 7.713 1.00 0.00 C ATOM 840 C GLN A 75 0.556 -11.156 9.219 1.00 0.00 C ATOM 841 O GLN A 75 1.016 -12.190 9.702 1.00 0.00 O ATOM 842 CB GLN A 75 1.784 -9.914 7.398 1.00 0.00 C ATOM 843 CG GLN A 75 3.175 -10.565 7.399 1.00 0.00 C ATOM 844 CD GLN A 75 3.554 -11.261 6.088 1.00 0.00 C ATOM 845 OE1 GLN A 75 2.730 -11.559 5.227 1.00 0.00 O ATOM 846 NE2 GLN A 75 4.833 -11.550 5.925 1.00 0.00 N ATOM 0 H GLN A 75 -0.488 -9.366 6.845 1.00 0.00 H new ATOM 0 HA GLN A 75 0.823 -11.842 7.215 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.605 -9.463 6.422 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.771 -9.106 8.129 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.920 -9.800 7.617 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.220 -11.294 8.208 1.00 0.00 H new ATOM 0 HE21 GLN A 75 5.509 -11.298 6.646 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.145 -12.025 5.078 1.00 0.00 H new ATOM 855 N GLU A 76 -0.071 -10.250 9.972 1.00 0.00 N ATOM 856 CA GLU A 76 -0.364 -10.427 11.394 1.00 0.00 C ATOM 857 C GLU A 76 -1.237 -11.673 11.605 1.00 0.00 C ATOM 858 O GLU A 76 -0.940 -12.495 12.474 1.00 0.00 O ATOM 859 CB GLU A 76 -0.993 -9.146 11.968 1.00 0.00 C ATOM 860 CG GLU A 76 -1.021 -9.095 13.502 1.00 0.00 C ATOM 861 CD GLU A 76 -2.443 -9.099 14.061 1.00 0.00 C ATOM 862 OE1 GLU A 76 -3.101 -10.161 14.031 1.00 0.00 O ATOM 863 OE2 GLU A 76 -2.895 -8.070 14.613 1.00 0.00 O ATOM 0 H GLU A 76 -0.395 -9.356 9.603 1.00 0.00 H new ATOM 0 HA GLU A 76 0.562 -10.597 11.944 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.439 -8.284 11.596 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.013 -9.055 11.593 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.475 -9.950 13.901 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.503 -8.198 13.842 1.00 0.00 H new ATOM 870 N SER A 77 -2.212 -11.892 10.726 1.00 0.00 N ATOM 871 CA SER A 77 -3.082 -13.061 10.663 1.00 0.00 C ATOM 872 C SER A 77 -2.430 -14.231 9.905 1.00 0.00 C ATOM 873 O SER A 77 -3.124 -15.178 9.520 1.00 0.00 O ATOM 874 CB SER A 77 -4.402 -12.652 10.030 1.00 0.00 C ATOM 875 OG SER A 77 -5.192 -11.909 10.936 1.00 0.00 O ATOM 0 H SER A 77 -2.428 -11.215 9.994 1.00 0.00 H new ATOM 0 HA SER A 77 -3.259 -13.424 11.675 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.212 -12.058 9.136 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.947 -13.541 9.712 1.00 0.00 H new ATOM 0 HG SER A 77 -6.035 -11.656 10.504 1.00 0.00 H new ATOM 881 N GLY A 78 -1.114 -14.189 9.669 1.00 0.00 N ATOM 882 CA GLY A 78 -0.336 -15.304 9.156 1.00 0.00 C ATOM 883 C GLY A 78 -0.752 -15.663 7.740 1.00 0.00 C ATOM 884 O GLY A 78 -0.615 -16.822 7.343 1.00 0.00 O ATOM 0 H GLY A 78 -0.553 -13.354 9.836 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.724 -15.049 9.172 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.465 -16.170 9.806 1.00 0.00 H new ATOM 888 N SER A 79 -1.308 -14.702 7.008 1.00 0.00 N ATOM 889 CA SER A 79 -1.970 -14.908 5.727 1.00 0.00 C ATOM 890 C SER A 79 -1.294 -14.076 4.628 1.00 0.00 C ATOM 891 O SER A 79 -0.679 -13.055 4.941 1.00 0.00 O ATOM 892 CB SER A 79 -3.447 -14.536 5.892 1.00 0.00 C ATOM 893 OG SER A 79 -4.057 -15.343 6.896 1.00 0.00 O ATOM 0 H SER A 79 -1.309 -13.725 7.302 1.00 0.00 H new ATOM 0 HA SER A 79 -1.892 -15.951 5.421 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.535 -13.483 6.161 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.969 -14.668 4.944 1.00 0.00 H new ATOM 0 HG SER A 79 -3.666 -15.130 7.769 1.00 0.00 H new ATOM 899 N PRO A 80 -1.391 -14.499 3.353 1.00 0.00 N ATOM 900 CA PRO A 80 -0.696 -13.835 2.262 1.00 0.00 C ATOM 901 C PRO A 80 -1.252 -12.451 1.963 1.00 0.00 C ATOM 902 O PRO A 80 -2.395 -12.131 2.288 1.00 0.00 O ATOM 903 CB PRO A 80 -0.847 -14.743 1.041 1.00 0.00 C ATOM 904 CG PRO A 80 -2.051 -15.625 1.359 1.00 0.00 C ATOM 905 CD PRO A 80 -2.046 -15.712 2.882 1.00 0.00 C ATOM 0 HA PRO A 80 0.348 -13.679 2.533 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -1.011 -14.162 0.133 1.00 0.00 H new ATOM 0 HB3 PRO A 80 0.050 -15.341 0.879 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.977 -15.187 0.986 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -1.957 -16.610 0.902 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.061 -15.783 3.272 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -1.512 -16.600 3.220 1.00 0.00 H new ATOM 913 N ILE A 81 -0.455 -11.686 1.219 1.00 0.00 N ATOM 914 CA ILE A 81 -0.768 -10.341 0.755 1.00 0.00 C ATOM 915 C ILE A 81 -0.989 -10.345 -0.771 1.00 0.00 C ATOM 916 O ILE A 81 -0.858 -9.323 -1.444 1.00 0.00 O ATOM 917 CB ILE A 81 0.277 -9.348 1.321 1.00 0.00 C ATOM 918 CG1 ILE A 81 1.718 -9.587 0.826 1.00 0.00 C ATOM 919 CG2 ILE A 81 0.227 -9.390 2.867 1.00 0.00 C ATOM 920 CD1 ILE A 81 2.709 -8.542 1.352 1.00 0.00 C ATOM 0 H ILE A 81 0.465 -12.002 0.912 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.719 -9.978 1.145 1.00 0.00 H new ATOM 0 HB ILE A 81 0.005 -8.361 0.946 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.044 -10.579 1.138 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.729 -9.575 -0.264 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.960 -8.693 3.274 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.769 -9.108 3.207 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.455 -10.399 3.211 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.706 -8.762 0.971 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.403 -7.550 1.018 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.723 -8.570 2.442 1.00 0.00 H new ATOM 932 N ASP A 82 -1.373 -11.511 -1.309 1.00 0.00 N ATOM 933 CA ASP A 82 -1.799 -11.715 -2.696 1.00 0.00 C ATOM 934 C ASP A 82 -3.078 -10.930 -3.016 1.00 0.00 C ATOM 935 O ASP A 82 -3.942 -10.800 -2.149 1.00 0.00 O ATOM 936 CB ASP A 82 -2.075 -13.218 -2.899 1.00 0.00 C ATOM 937 CG ASP A 82 -1.757 -13.759 -4.296 1.00 0.00 C ATOM 938 OD1 ASP A 82 -0.702 -13.407 -4.868 1.00 0.00 O ATOM 939 OD2 ASP A 82 -2.536 -14.593 -4.812 1.00 0.00 O ATOM 0 H ASP A 82 -1.395 -12.373 -0.764 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.010 -11.361 -3.359 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.492 -13.779 -2.169 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.126 -13.410 -2.684 1.00 0.00 H new ATOM 944 N LEU A 83 -3.230 -10.469 -4.266 1.00 0.00 N ATOM 945 CA LEU A 83 -4.267 -9.544 -4.748 1.00 0.00 C ATOM 946 C LEU A 83 -5.652 -9.927 -4.241 1.00 0.00 C ATOM 947 O LEU A 83 -6.343 -9.127 -3.620 1.00 0.00 O ATOM 948 CB LEU A 83 -4.242 -9.529 -6.294 1.00 0.00 C ATOM 949 CG LEU A 83 -4.954 -8.367 -7.022 1.00 0.00 C ATOM 950 CD1 LEU A 83 -6.380 -8.019 -6.603 1.00 0.00 C ATOM 951 CD2 LEU A 83 -4.125 -7.095 -6.910 1.00 0.00 C ATOM 0 H LEU A 83 -2.594 -10.749 -5.013 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.052 -8.548 -4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.199 -9.532 -6.611 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -4.684 -10.462 -6.644 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.042 -8.753 -8.038 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.742 -7.185 -7.204 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.026 -8.884 -6.756 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.392 -7.740 -5.550 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.635 -6.282 -7.426 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.998 -6.835 -5.859 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.147 -7.257 -7.364 1.00 0.00 H new ATOM 963 N ILE A 84 -6.069 -11.156 -4.523 1.00 0.00 N ATOM 964 CA ILE A 84 -7.380 -11.661 -4.223 1.00 0.00 C ATOM 965 C ILE A 84 -7.592 -11.699 -2.713 1.00 0.00 C ATOM 966 O ILE A 84 -8.585 -11.169 -2.220 1.00 0.00 O ATOM 967 CB ILE A 84 -7.489 -13.039 -4.902 1.00 0.00 C ATOM 968 CG1 ILE A 84 -6.889 -13.008 -6.333 1.00 0.00 C ATOM 969 CG2 ILE A 84 -8.964 -13.446 -4.946 1.00 0.00 C ATOM 970 CD1 ILE A 84 -5.449 -13.522 -6.464 1.00 0.00 C ATOM 0 H ILE A 84 -5.473 -11.844 -4.983 1.00 0.00 H new ATOM 0 HA ILE A 84 -8.173 -11.020 -4.607 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.919 -13.770 -4.328 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -7.528 -13.601 -6.987 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.923 -11.982 -6.699 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -9.058 -14.421 -5.424 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.357 -13.501 -3.931 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -9.529 -12.707 -5.514 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.132 -13.455 -7.505 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.789 -12.916 -5.844 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.402 -14.561 -6.137 1.00 0.00 H new ATOM 982 N THR A 85 -6.637 -12.271 -1.981 1.00 0.00 N ATOM 983 CA THR A 85 -6.676 -12.349 -0.534 1.00 0.00 C ATOM 984 C THR A 85 -6.835 -10.949 0.067 1.00 0.00 C ATOM 985 O THR A 85 -7.678 -10.741 0.937 1.00 0.00 O ATOM 986 CB THR A 85 -5.442 -13.111 -0.011 1.00 0.00 C ATOM 987 OG1 THR A 85 -5.376 -14.400 -0.607 1.00 0.00 O ATOM 988 CG2 THR A 85 -5.516 -13.321 1.504 1.00 0.00 C ATOM 0 H THR A 85 -5.805 -12.697 -2.389 1.00 0.00 H new ATOM 0 HA THR A 85 -7.548 -12.919 -0.213 1.00 0.00 H new ATOM 0 HB THR A 85 -4.567 -12.512 -0.263 1.00 0.00 H new ATOM 0 HG1 THR A 85 -4.462 -14.747 -0.536 1.00 0.00 H new ATOM 0 HG21 THR A 85 -4.631 -13.861 1.840 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.562 -12.353 2.004 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.408 -13.898 1.748 1.00 0.00 H new ATOM 996 N LEU A 86 -6.069 -9.985 -0.432 1.00 0.00 N ATOM 997 CA LEU A 86 -6.077 -8.586 -0.029 1.00 0.00 C ATOM 998 C LEU A 86 -7.441 -7.952 -0.244 1.00 0.00 C ATOM 999 O LEU A 86 -8.005 -7.382 0.688 1.00 0.00 O ATOM 1000 CB LEU A 86 -4.995 -7.857 -0.840 1.00 0.00 C ATOM 1001 CG LEU A 86 -4.832 -6.361 -0.536 1.00 0.00 C ATOM 1002 CD1 LEU A 86 -4.088 -6.157 0.783 1.00 0.00 C ATOM 1003 CD2 LEU A 86 -4.049 -5.711 -1.683 1.00 0.00 C ATOM 0 H LEU A 86 -5.389 -10.171 -1.169 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.865 -8.508 1.037 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.040 -8.351 -0.664 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.222 -7.971 -1.900 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.816 -5.901 -0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.983 -5.090 0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.650 -6.622 1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.100 -6.613 0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.925 -4.647 -1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.069 -6.181 -1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.596 -5.842 -2.617 1.00 0.00 H new ATOM 1015 N ALA A 87 -7.951 -8.044 -1.470 1.00 0.00 N ATOM 1016 CA ALA A 87 -9.234 -7.475 -1.857 1.00 0.00 C ATOM 1017 C ALA A 87 -10.346 -7.984 -0.944 1.00 0.00 C ATOM 1018 O ALA A 87 -11.100 -7.200 -0.370 1.00 0.00 O ATOM 1019 CB ALA A 87 -9.532 -7.816 -3.320 1.00 0.00 C ATOM 0 H ALA A 87 -7.474 -8.525 -2.233 1.00 0.00 H new ATOM 0 HA ALA A 87 -9.186 -6.391 -1.753 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.493 -7.388 -3.605 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -8.749 -7.404 -3.956 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.567 -8.899 -3.441 1.00 0.00 H new ATOM 1025 N GLU A 88 -10.417 -9.304 -0.790 1.00 0.00 N ATOM 1026 CA GLU A 88 -11.420 -9.964 0.026 1.00 0.00 C ATOM 1027 C GLU A 88 -11.260 -9.550 1.490 1.00 0.00 C ATOM 1028 O GLU A 88 -12.252 -9.346 2.189 1.00 0.00 O ATOM 1029 CB GLU A 88 -11.276 -11.484 -0.139 1.00 0.00 C ATOM 1030 CG GLU A 88 -11.504 -11.979 -1.578 1.00 0.00 C ATOM 1031 CD GLU A 88 -12.953 -12.347 -1.873 1.00 0.00 C ATOM 1032 OE1 GLU A 88 -13.754 -11.470 -2.273 1.00 0.00 O ATOM 1033 OE2 GLU A 88 -13.272 -13.560 -1.824 1.00 0.00 O ATOM 0 H GLU A 88 -9.767 -9.950 -1.237 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.418 -9.667 -0.297 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.278 -11.782 0.183 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.986 -11.980 0.522 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.185 -11.204 -2.275 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.873 -12.849 -1.759 1.00 0.00 H new ATOM 1040 N SER A 89 -10.018 -9.387 1.956 1.00 0.00 N ATOM 1041 CA SER A 89 -9.746 -9.020 3.332 1.00 0.00 C ATOM 1042 C SER A 89 -10.248 -7.601 3.608 1.00 0.00 C ATOM 1043 O SER A 89 -10.892 -7.377 4.636 1.00 0.00 O ATOM 1044 CB SER A 89 -8.253 -9.197 3.619 1.00 0.00 C ATOM 1045 OG SER A 89 -8.012 -9.294 5.000 1.00 0.00 O ATOM 0 H SER A 89 -9.181 -9.507 1.385 1.00 0.00 H new ATOM 0 HA SER A 89 -10.286 -9.676 4.015 1.00 0.00 H new ATOM 0 HB2 SER A 89 -7.887 -10.094 3.119 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.698 -8.354 3.208 1.00 0.00 H new ATOM 0 HG SER A 89 -7.933 -8.395 5.382 1.00 0.00 H new ATOM 1051 N LEU A 90 -10.017 -6.672 2.677 1.00 0.00 N ATOM 1052 CA LEU A 90 -10.521 -5.308 2.746 1.00 0.00 C ATOM 1053 C LEU A 90 -12.045 -5.288 2.769 1.00 0.00 C ATOM 1054 O LEU A 90 -12.619 -4.444 3.454 1.00 0.00 O ATOM 1055 CB LEU A 90 -10.000 -4.476 1.564 1.00 0.00 C ATOM 1056 CG LEU A 90 -8.652 -3.810 1.866 1.00 0.00 C ATOM 1057 CD1 LEU A 90 -7.928 -3.462 0.565 1.00 0.00 C ATOM 1058 CD2 LEU A 90 -8.808 -2.547 2.723 1.00 0.00 C ATOM 0 H LEU A 90 -9.463 -6.855 1.840 1.00 0.00 H new ATOM 0 HA LEU A 90 -10.157 -4.866 3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.897 -5.118 0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -10.733 -3.709 1.312 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.062 -4.528 2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.973 -2.990 0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.754 -4.372 -0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.540 -2.776 -0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.827 -2.111 2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.432 -1.825 2.196 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.277 -2.807 3.672 1.00 0.00 H new ATOM 1070 N GLU A 91 -12.723 -6.174 2.038 1.00 0.00 N ATOM 1071 CA GLU A 91 -14.164 -6.295 2.084 1.00 0.00 C ATOM 1072 C GLU A 91 -14.654 -6.782 3.437 1.00 0.00 C ATOM 1073 O GLU A 91 -15.586 -6.201 3.993 1.00 0.00 O ATOM 1074 CB GLU A 91 -14.628 -7.237 0.957 1.00 0.00 C ATOM 1075 CG GLU A 91 -15.865 -6.614 0.331 1.00 0.00 C ATOM 1076 CD GLU A 91 -16.727 -7.593 -0.465 1.00 0.00 C ATOM 1077 OE1 GLU A 91 -16.205 -8.331 -1.327 1.00 0.00 O ATOM 1078 OE2 GLU A 91 -17.959 -7.613 -0.222 1.00 0.00 O ATOM 0 H GLU A 91 -12.276 -6.828 1.396 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.598 -5.306 1.936 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.842 -7.363 0.213 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.854 -8.227 1.352 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -16.473 -6.171 1.120 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.555 -5.802 -0.327 1.00 0.00 H new ATOM 1085 N ARG A 92 -14.000 -7.793 4.013 1.00 0.00 N ATOM 1086 CA ARG A 92 -14.300 -8.207 5.379 1.00 0.00 C ATOM 1087 C ARG A 92 -14.097 -7.036 6.336 1.00 0.00 C ATOM 1088 O ARG A 92 -14.925 -6.832 7.223 1.00 0.00 O ATOM 1089 CB ARG A 92 -13.460 -9.423 5.776 1.00 0.00 C ATOM 1090 CG ARG A 92 -13.859 -10.673 4.983 1.00 0.00 C ATOM 1091 CD ARG A 92 -13.102 -11.874 5.538 1.00 0.00 C ATOM 1092 NE ARG A 92 -13.442 -13.115 4.835 1.00 0.00 N ATOM 1093 CZ ARG A 92 -14.209 -14.107 5.294 1.00 0.00 C ATOM 1094 NH1 ARG A 92 -15.028 -13.930 6.323 1.00 0.00 N ATOM 1095 NH2 ARG A 92 -14.125 -15.291 4.706 1.00 0.00 N ATOM 0 H ARG A 92 -13.266 -8.334 3.557 1.00 0.00 H new ATOM 0 HA ARG A 92 -15.346 -8.509 5.438 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.405 -9.207 5.607 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -13.580 -9.615 6.842 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -14.934 -10.838 5.056 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -13.629 -10.538 3.926 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.030 -11.695 5.457 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -13.328 -11.985 6.599 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.053 -13.233 3.900 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -15.082 -13.020 6.782 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -15.604 -14.703 6.655 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.486 -15.427 3.923 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.699 -16.066 5.036 1.00 0.00 H new ATOM 1109 N GLN A 93 -13.058 -6.227 6.125 1.00 0.00 N ATOM 1110 CA GLN A 93 -12.811 -5.012 6.887 1.00 0.00 C ATOM 1111 C GLN A 93 -13.755 -3.854 6.516 1.00 0.00 C ATOM 1112 O GLN A 93 -13.732 -2.840 7.224 1.00 0.00 O ATOM 1113 CB GLN A 93 -11.343 -4.583 6.733 1.00 0.00 C ATOM 1114 CG GLN A 93 -10.344 -5.557 7.381 1.00 0.00 C ATOM 1115 CD GLN A 93 -9.351 -4.807 8.264 1.00 0.00 C ATOM 1116 OE1 GLN A 93 -9.597 -4.584 9.449 1.00 0.00 O ATOM 1117 NE2 GLN A 93 -8.244 -4.349 7.712 1.00 0.00 N ATOM 0 H GLN A 93 -12.356 -6.405 5.407 1.00 0.00 H new ATOM 0 HA GLN A 93 -13.019 -5.249 7.930 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.110 -4.490 5.672 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.214 -3.595 7.176 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -10.882 -6.294 7.977 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -9.807 -6.104 6.606 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.048 -4.539 6.729 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -7.584 -3.805 8.268 1.00 0.00 H new ATOM 1126 N GLY A 94 -14.592 -3.957 5.472 1.00 0.00 N ATOM 1127 CA GLY A 94 -15.571 -2.924 5.146 1.00 0.00 C ATOM 1128 C GLY A 94 -14.927 -1.689 4.524 1.00 0.00 C ATOM 1129 O GLY A 94 -15.440 -0.576 4.690 1.00 0.00 O ATOM 0 H GLY A 94 -14.605 -4.756 4.838 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -16.310 -3.332 4.456 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -16.106 -2.635 6.051 1.00 0.00 H new ATOM 1133 N GLN A 95 -13.770 -1.862 3.883 1.00 0.00 N ATOM 1134 CA GLN A 95 -12.889 -0.801 3.412 1.00 0.00 C ATOM 1135 C GLN A 95 -12.444 -1.022 1.960 1.00 0.00 C ATOM 1136 O GLN A 95 -11.694 -0.200 1.440 1.00 0.00 O ATOM 1137 CB GLN A 95 -11.699 -0.687 4.390 1.00 0.00 C ATOM 1138 CG GLN A 95 -12.124 0.010 5.693 1.00 0.00 C ATOM 1139 CD GLN A 95 -11.094 -0.127 6.809 1.00 0.00 C ATOM 1140 OE1 GLN A 95 -10.128 0.628 6.877 1.00 0.00 O ATOM 1141 NE2 GLN A 95 -11.302 -1.062 7.722 1.00 0.00 N ATOM 0 H GLN A 95 -13.408 -2.791 3.670 1.00 0.00 H new ATOM 0 HA GLN A 95 -13.430 0.145 3.400 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.311 -1.681 4.614 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.890 -0.127 3.921 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -12.295 1.068 5.493 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.073 -0.409 6.029 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.111 -1.678 7.646 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.653 -1.166 8.502 1.00 0.00 H new ATOM 1150 N LEU A 96 -12.916 -2.066 1.269 1.00 0.00 N ATOM 1151 CA LEU A 96 -12.602 -2.302 -0.143 1.00 0.00 C ATOM 1152 C LEU A 96 -13.066 -1.129 -1.011 1.00 0.00 C ATOM 1153 O LEU A 96 -12.346 -0.662 -1.894 1.00 0.00 O ATOM 1154 CB LEU A 96 -13.210 -3.632 -0.601 1.00 0.00 C ATOM 1155 CG LEU A 96 -12.811 -3.996 -2.041 1.00 0.00 C ATOM 1156 CD1 LEU A 96 -11.294 -4.100 -2.258 1.00 0.00 C ATOM 1157 CD2 LEU A 96 -13.447 -5.326 -2.425 1.00 0.00 C ATOM 0 H LEU A 96 -13.529 -2.773 1.676 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.520 -2.372 -0.259 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -12.889 -4.426 0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -14.296 -3.574 -0.532 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.171 -3.181 -2.669 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -11.092 -4.360 -3.297 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.827 -3.143 -2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -10.885 -4.871 -1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -13.164 -5.583 -3.446 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -13.101 -6.105 -1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.532 -5.243 -2.359 1.00 0.00 H new ATOM 1169 N ASP A 97 -14.255 -0.602 -0.731 1.00 0.00 N ATOM 1170 CA ASP A 97 -14.800 0.564 -1.423 1.00 0.00 C ATOM 1171 C ASP A 97 -13.923 1.786 -1.147 1.00 0.00 C ATOM 1172 O ASP A 97 -13.660 2.593 -2.044 1.00 0.00 O ATOM 1173 CB ASP A 97 -16.224 0.855 -0.944 1.00 0.00 C ATOM 1174 CG ASP A 97 -17.229 -0.213 -1.353 1.00 0.00 C ATOM 1175 OD1 ASP A 97 -17.277 -1.288 -0.712 1.00 0.00 O ATOM 1176 OD2 ASP A 97 -18.026 0.033 -2.287 1.00 0.00 O ATOM 0 H ASP A 97 -14.873 -0.975 -0.011 1.00 0.00 H new ATOM 0 HA ASP A 97 -14.818 0.352 -2.492 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -16.223 0.945 0.142 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -16.544 1.817 -1.344 1.00 0.00 H new ATOM 1181 N SER A 98 -13.427 1.894 0.088 1.00 0.00 N ATOM 1182 CA SER A 98 -12.517 2.921 0.585 1.00 0.00 C ATOM 1183 C SER A 98 -11.100 2.815 -0.001 1.00 0.00 C ATOM 1184 O SER A 98 -10.244 3.637 0.343 1.00 0.00 O ATOM 1185 CB SER A 98 -12.541 2.907 2.120 1.00 0.00 C ATOM 1186 OG SER A 98 -13.887 2.978 2.567 1.00 0.00 O ATOM 0 H SER A 98 -13.669 1.219 0.814 1.00 0.00 H new ATOM 0 HA SER A 98 -12.869 3.893 0.239 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.068 1.999 2.495 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.970 3.749 2.512 1.00 0.00 H new ATOM 0 HG SER A 98 -13.907 2.968 3.547 1.00 0.00 H new ATOM 1192 N VAL A 99 -10.835 1.847 -0.888 1.00 0.00 N ATOM 1193 CA VAL A 99 -9.613 1.805 -1.678 1.00 0.00 C ATOM 1194 C VAL A 99 -9.902 1.893 -3.180 1.00 0.00 C ATOM 1195 O VAL A 99 -8.976 2.131 -3.952 1.00 0.00 O ATOM 1196 CB VAL A 99 -8.704 0.620 -1.294 1.00 0.00 C ATOM 1197 CG1 VAL A 99 -8.490 0.543 0.224 1.00 0.00 C ATOM 1198 CG2 VAL A 99 -9.160 -0.747 -1.811 1.00 0.00 C ATOM 0 H VAL A 99 -11.470 1.071 -1.073 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.039 2.698 -1.431 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.764 0.840 -1.800 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.845 -0.304 0.458 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -8.022 1.463 0.573 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -9.452 0.415 0.721 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.454 -1.512 -1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -10.149 -0.975 -1.414 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -9.201 -0.729 -2.900 1.00 0.00 H new ATOM 1208 N GLY A 100 -11.162 1.767 -3.609 1.00 0.00 N ATOM 1209 CA GLY A 100 -11.558 1.835 -5.013 1.00 0.00 C ATOM 1210 C GLY A 100 -11.980 0.488 -5.602 1.00 0.00 C ATOM 1211 O GLY A 100 -12.129 0.383 -6.821 1.00 0.00 O ATOM 0 H GLY A 100 -11.947 1.612 -2.976 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -12.383 2.540 -5.114 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.727 2.232 -5.596 1.00 0.00 H new ATOM 1215 N GLY A 101 -12.202 -0.541 -4.785 1.00 0.00 N ATOM 1216 CA GLY A 101 -12.653 -1.841 -5.260 1.00 0.00 C ATOM 1217 C GLY A 101 -11.485 -2.751 -5.632 1.00 0.00 C ATOM 1218 O GLY A 101 -10.329 -2.316 -5.704 1.00 0.00 O ATOM 0 H GLY A 101 -12.073 -0.493 -3.774 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -13.254 -2.320 -4.488 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.298 -1.706 -6.128 1.00 0.00 H new ATOM 1222 N PHE A 102 -11.799 -4.014 -5.935 1.00 0.00 N ATOM 1223 CA PHE A 102 -10.863 -4.975 -6.516 1.00 0.00 C ATOM 1224 C PHE A 102 -10.233 -4.371 -7.771 1.00 0.00 C ATOM 1225 O PHE A 102 -9.036 -4.519 -7.983 1.00 0.00 O ATOM 1226 CB PHE A 102 -11.601 -6.282 -6.851 1.00 0.00 C ATOM 1227 CG PHE A 102 -10.739 -7.492 -7.185 1.00 0.00 C ATOM 1228 CD1 PHE A 102 -9.994 -7.548 -8.381 1.00 0.00 C ATOM 1229 CD2 PHE A 102 -10.722 -8.600 -6.315 1.00 0.00 C ATOM 1230 CE1 PHE A 102 -9.195 -8.670 -8.666 1.00 0.00 C ATOM 1231 CE2 PHE A 102 -9.925 -9.720 -6.604 1.00 0.00 C ATOM 1232 CZ PHE A 102 -9.146 -9.753 -7.773 1.00 0.00 C ATOM 0 H PHE A 102 -12.729 -4.402 -5.779 1.00 0.00 H new ATOM 0 HA PHE A 102 -10.073 -5.201 -5.800 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -12.235 -6.541 -6.003 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -12.262 -6.092 -7.697 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -10.037 -6.726 -9.081 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -11.326 -8.588 -5.420 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -8.616 -8.699 -9.577 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -9.911 -10.559 -5.925 1.00 0.00 H new ATOM 0 HZ PHE A 102 -8.515 -10.604 -7.983 1.00 0.00 H new ATOM 1242 N ALA A 103 -11.018 -3.656 -8.584 1.00 0.00 N ATOM 1243 CA ALA A 103 -10.537 -3.063 -9.820 1.00 0.00 C ATOM 1244 C ALA A 103 -9.415 -2.046 -9.591 1.00 0.00 C ATOM 1245 O ALA A 103 -8.511 -1.962 -10.427 1.00 0.00 O ATOM 1246 CB ALA A 103 -11.707 -2.429 -10.569 1.00 0.00 C ATOM 0 H ALA A 103 -12.004 -3.476 -8.396 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.104 -3.860 -10.425 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -11.347 -1.984 -11.496 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -12.450 -3.193 -10.798 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -12.161 -1.657 -9.948 1.00 0.00 H new ATOM 1252 N TYR A 104 -9.430 -1.292 -8.482 1.00 0.00 N ATOM 1253 CA TYR A 104 -8.320 -0.394 -8.178 1.00 0.00 C ATOM 1254 C TYR A 104 -7.115 -1.180 -7.667 1.00 0.00 C ATOM 1255 O TYR A 104 -5.984 -0.843 -7.998 1.00 0.00 O ATOM 1256 CB TYR A 104 -8.713 0.707 -7.191 1.00 0.00 C ATOM 1257 CG TYR A 104 -7.709 1.849 -7.180 1.00 0.00 C ATOM 1258 CD1 TYR A 104 -7.663 2.733 -8.273 1.00 0.00 C ATOM 1259 CD2 TYR A 104 -6.808 2.025 -6.110 1.00 0.00 C ATOM 1260 CE1 TYR A 104 -6.736 3.788 -8.299 1.00 0.00 C ATOM 1261 CE2 TYR A 104 -5.894 3.099 -6.119 1.00 0.00 C ATOM 1262 CZ TYR A 104 -5.850 3.985 -7.218 1.00 0.00 C ATOM 1263 OH TYR A 104 -4.977 5.031 -7.226 1.00 0.00 O ATOM 0 H TYR A 104 -10.185 -1.289 -7.796 1.00 0.00 H new ATOM 0 HA TYR A 104 -8.045 0.101 -9.109 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -9.698 1.093 -7.453 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -8.792 0.284 -6.189 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -8.346 2.600 -9.099 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -6.818 1.334 -5.280 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -6.701 4.452 -9.150 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -5.226 3.244 -5.283 1.00 0.00 H new ATOM 0 HH TYR A 104 -4.443 5.017 -6.405 1.00 0.00 H new ATOM 1273 N LEU A 105 -7.321 -2.257 -6.905 1.00 0.00 N ATOM 1274 CA LEU A 105 -6.214 -3.125 -6.506 1.00 0.00 C ATOM 1275 C LEU A 105 -5.551 -3.722 -7.747 1.00 0.00 C ATOM 1276 O LEU A 105 -4.326 -3.713 -7.845 1.00 0.00 O ATOM 1277 CB LEU A 105 -6.680 -4.209 -5.523 1.00 0.00 C ATOM 1278 CG LEU A 105 -7.200 -3.629 -4.193 1.00 0.00 C ATOM 1279 CD1 LEU A 105 -7.788 -4.745 -3.335 1.00 0.00 C ATOM 1280 CD2 LEU A 105 -6.096 -2.918 -3.407 1.00 0.00 C ATOM 0 H LEU A 105 -8.235 -2.546 -6.556 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.470 -2.528 -5.978 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.469 -4.800 -5.989 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.852 -4.887 -5.319 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.968 -2.895 -4.436 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -8.154 -4.328 -2.397 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -8.613 -5.218 -3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.018 -5.488 -3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.507 -2.525 -2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.298 -3.625 -3.181 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.696 -2.097 -4.003 1.00 0.00 H new ATOM 1292 N ALA A 106 -6.345 -4.182 -8.716 1.00 0.00 N ATOM 1293 CA ALA A 106 -5.868 -4.690 -9.989 1.00 0.00 C ATOM 1294 C ALA A 106 -5.096 -3.607 -10.757 1.00 0.00 C ATOM 1295 O ALA A 106 -4.005 -3.867 -11.257 1.00 0.00 O ATOM 1296 CB ALA A 106 -7.051 -5.226 -10.801 1.00 0.00 C ATOM 0 H ALA A 106 -7.361 -4.209 -8.628 1.00 0.00 H new ATOM 0 HA ALA A 106 -5.172 -5.510 -9.811 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.693 -5.608 -11.757 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.537 -6.030 -10.248 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.766 -4.422 -10.976 1.00 0.00 H new ATOM 1302 N GLU A 107 -5.634 -2.384 -10.815 1.00 0.00 N ATOM 1303 CA GLU A 107 -5.012 -1.212 -11.443 1.00 0.00 C ATOM 1304 C GLU A 107 -3.618 -0.998 -10.853 1.00 0.00 C ATOM 1305 O GLU A 107 -2.638 -0.888 -11.590 1.00 0.00 O ATOM 1306 CB GLU A 107 -5.920 0.027 -11.248 1.00 0.00 C ATOM 1307 CG GLU A 107 -5.343 1.404 -11.629 1.00 0.00 C ATOM 1308 CD GLU A 107 -5.444 1.720 -13.121 1.00 0.00 C ATOM 1309 OE1 GLU A 107 -4.703 1.115 -13.924 1.00 0.00 O ATOM 1310 OE2 GLU A 107 -6.273 2.574 -13.512 1.00 0.00 O ATOM 0 H GLU A 107 -6.547 -2.175 -10.412 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.900 -1.374 -12.515 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -6.829 -0.128 -11.829 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -6.215 0.065 -10.199 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -5.868 2.176 -11.067 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -4.296 1.446 -11.328 1.00 0.00 H new ATOM 1317 N LEU A 108 -3.518 -0.963 -9.526 1.00 0.00 N ATOM 1318 CA LEU A 108 -2.262 -0.792 -8.811 1.00 0.00 C ATOM 1319 C LEU A 108 -1.300 -1.933 -9.130 1.00 0.00 C ATOM 1320 O LEU A 108 -0.125 -1.697 -9.406 1.00 0.00 O ATOM 1321 CB LEU A 108 -2.535 -0.746 -7.305 1.00 0.00 C ATOM 1322 CG LEU A 108 -3.318 0.492 -6.830 1.00 0.00 C ATOM 1323 CD1 LEU A 108 -3.865 0.243 -5.424 1.00 0.00 C ATOM 1324 CD2 LEU A 108 -2.436 1.732 -6.821 1.00 0.00 C ATOM 0 H LEU A 108 -4.325 -1.055 -8.909 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.802 0.144 -9.128 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.090 -1.640 -7.023 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.583 -0.782 -6.776 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.140 0.663 -7.525 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.419 1.120 -5.089 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -4.529 -0.622 -5.440 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -3.038 0.053 -4.740 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.017 2.589 -6.481 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.594 1.574 -6.147 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.065 1.922 -7.828 1.00 0.00 H new ATOM 1336 N SER A 109 -1.792 -3.168 -9.129 1.00 0.00 N ATOM 1337 CA SER A 109 -0.991 -4.338 -9.448 1.00 0.00 C ATOM 1338 C SER A 109 -0.458 -4.272 -10.885 1.00 0.00 C ATOM 1339 O SER A 109 0.658 -4.708 -11.154 1.00 0.00 O ATOM 1340 CB SER A 109 -1.826 -5.602 -9.237 1.00 0.00 C ATOM 1341 OG SER A 109 -1.005 -6.622 -8.704 1.00 0.00 O ATOM 0 H SER A 109 -2.764 -3.383 -8.905 1.00 0.00 H new ATOM 0 HA SER A 109 -0.129 -4.363 -8.782 1.00 0.00 H new ATOM 0 HB2 SER A 109 -2.654 -5.395 -8.560 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.261 -5.926 -10.182 1.00 0.00 H new ATOM 0 HG SER A 109 -0.962 -6.531 -7.729 1.00 0.00 H new ATOM 1347 N LYS A 110 -1.219 -3.707 -11.824 1.00 0.00 N ATOM 1348 CA LYS A 110 -0.776 -3.504 -13.202 1.00 0.00 C ATOM 1349 C LYS A 110 0.178 -2.307 -13.313 1.00 0.00 C ATOM 1350 O LYS A 110 0.975 -2.247 -14.253 1.00 0.00 O ATOM 1351 CB LYS A 110 -2.015 -3.381 -14.106 1.00 0.00 C ATOM 1352 CG LYS A 110 -2.790 -4.709 -14.241 1.00 0.00 C ATOM 1353 CD LYS A 110 -4.261 -4.485 -14.629 1.00 0.00 C ATOM 1354 CE LYS A 110 -4.435 -3.910 -16.038 1.00 0.00 C ATOM 1355 NZ LYS A 110 -4.242 -4.928 -17.090 1.00 0.00 N ATOM 0 H LYS A 110 -2.167 -3.375 -11.647 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.196 -4.363 -13.539 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -2.679 -2.617 -13.702 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -1.706 -3.044 -15.095 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -2.309 -5.334 -14.993 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -2.743 -5.253 -13.297 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.796 -5.433 -14.562 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -4.721 -3.808 -13.909 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -5.432 -3.480 -16.131 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -3.723 -3.098 -16.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -4.370 -4.490 -18.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.282 -5.321 -17.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -4.938 -5.691 -16.967 1.00 0.00 H new ATOM 1369 N ASN A 111 0.173 -1.398 -12.337 1.00 0.00 N ATOM 1370 CA ASN A 111 1.116 -0.287 -12.164 1.00 0.00 C ATOM 1371 C ASN A 111 2.327 -0.732 -11.320 1.00 0.00 C ATOM 1372 O ASN A 111 2.807 -0.009 -10.440 1.00 0.00 O ATOM 1373 CB ASN A 111 0.396 0.926 -11.537 1.00 0.00 C ATOM 1374 CG ASN A 111 1.306 2.150 -11.461 1.00 0.00 C ATOM 1375 OD1 ASN A 111 2.268 2.287 -12.211 1.00 0.00 O ATOM 1376 ND2 ASN A 111 1.055 3.074 -10.551 1.00 0.00 N ATOM 0 H ASN A 111 -0.532 -1.417 -11.600 1.00 0.00 H new ATOM 0 HA ASN A 111 1.494 0.017 -13.140 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -0.489 1.167 -12.126 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.052 0.667 -10.536 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.658 3.893 -10.476 1.00 0.00 H new ATOM 0 HD22 ASN A 111 0.258 2.969 -9.924 1.00 0.00 H new ATOM 1383 N THR A 112 2.807 -1.958 -11.534 1.00 0.00 N ATOM 1384 CA THR A 112 3.885 -2.547 -10.751 1.00 0.00 C ATOM 1385 C THR A 112 5.045 -2.952 -11.675 1.00 0.00 C ATOM 1386 O THR A 112 4.934 -3.952 -12.390 1.00 0.00 O ATOM 1387 CB THR A 112 3.335 -3.704 -9.918 1.00 0.00 C ATOM 1388 OG1 THR A 112 2.324 -3.231 -9.047 1.00 0.00 O ATOM 1389 CG2 THR A 112 4.419 -4.313 -9.044 1.00 0.00 C ATOM 0 H THR A 112 2.451 -2.574 -12.265 1.00 0.00 H new ATOM 0 HA THR A 112 4.293 -1.819 -10.050 1.00 0.00 H new ATOM 0 HB THR A 112 2.948 -4.449 -10.614 1.00 0.00 H new ATOM 0 HG1 THR A 112 1.575 -2.883 -9.574 1.00 0.00 H new ATOM 0 HG21 THR A 112 3.999 -5.134 -8.462 1.00 0.00 H new ATOM 0 HG22 THR A 112 5.225 -4.690 -9.674 1.00 0.00 H new ATOM 0 HG23 THR A 112 4.811 -3.553 -8.368 1.00 0.00 H new ATOM 1397 N PRO A 113 6.167 -2.212 -11.674 1.00 0.00 N ATOM 1398 CA PRO A 113 7.404 -2.571 -12.363 1.00 0.00 C ATOM 1399 C PRO A 113 8.156 -3.658 -11.569 1.00 0.00 C ATOM 1400 O PRO A 113 9.290 -3.462 -11.111 1.00 0.00 O ATOM 1401 CB PRO A 113 8.161 -1.244 -12.482 1.00 0.00 C ATOM 1402 CG PRO A 113 7.765 -0.504 -11.205 1.00 0.00 C ATOM 1403 CD PRO A 113 6.339 -0.960 -10.955 1.00 0.00 C ATOM 0 HA PRO A 113 7.258 -3.012 -13.349 1.00 0.00 H new ATOM 0 HB2 PRO A 113 9.238 -1.398 -12.541 1.00 0.00 H new ATOM 0 HB3 PRO A 113 7.869 -0.692 -13.375 1.00 0.00 H new ATOM 0 HG2 PRO A 113 8.420 -0.762 -10.373 1.00 0.00 H new ATOM 0 HG3 PRO A 113 7.823 0.577 -11.334 1.00 0.00 H new ATOM 0 HD2 PRO A 113 6.158 -1.098 -9.889 1.00 0.00 H new ATOM 0 HD3 PRO A 113 5.627 -0.212 -11.305 1.00 0.00 H new ATOM 1411 N SER A 114 7.509 -4.815 -11.394 1.00 0.00 N ATOM 1412 CA SER A 114 7.926 -5.885 -10.495 1.00 0.00 C ATOM 1413 C SER A 114 8.193 -5.332 -9.080 1.00 0.00 C ATOM 1414 O SER A 114 7.643 -4.297 -8.693 1.00 0.00 O ATOM 1415 CB SER A 114 9.088 -6.664 -11.132 1.00 0.00 C ATOM 1416 OG SER A 114 9.237 -7.919 -10.498 1.00 0.00 O ATOM 0 H SER A 114 6.649 -5.036 -11.896 1.00 0.00 H new ATOM 0 HA SER A 114 7.127 -6.613 -10.354 1.00 0.00 H new ATOM 0 HB2 SER A 114 8.901 -6.806 -12.196 1.00 0.00 H new ATOM 0 HB3 SER A 114 10.011 -6.091 -11.044 1.00 0.00 H new ATOM 0 HG SER A 114 9.978 -8.409 -10.912 1.00 0.00 H new ATOM 1422 N ALA A 115 8.989 -6.048 -8.288 1.00 0.00 N ATOM 1423 CA ALA A 115 9.543 -5.598 -7.014 1.00 0.00 C ATOM 1424 C ALA A 115 11.029 -5.229 -7.188 1.00 0.00 C ATOM 1425 O ALA A 115 11.809 -5.233 -6.227 1.00 0.00 O ATOM 1426 CB ALA A 115 9.326 -6.698 -5.972 1.00 0.00 C ATOM 0 H ALA A 115 9.277 -6.997 -8.527 1.00 0.00 H new ATOM 0 HA ALA A 115 9.036 -4.698 -6.666 1.00 0.00 H new ATOM 0 HB1 ALA A 115 9.735 -6.377 -5.014 1.00 0.00 H new ATOM 0 HB2 ALA A 115 8.259 -6.892 -5.865 1.00 0.00 H new ATOM 0 HB3 ALA A 115 9.830 -7.609 -6.295 1.00 0.00 H new ATOM 1432 N ALA A 116 11.448 -4.978 -8.429 1.00 0.00 N ATOM 1433 CA ALA A 116 12.830 -4.773 -8.805 1.00 0.00 C ATOM 1434 C ALA A 116 13.322 -3.413 -8.308 1.00 0.00 C ATOM 1435 O ALA A 116 12.982 -2.382 -8.898 1.00 0.00 O ATOM 1436 CB ALA A 116 12.965 -4.904 -10.320 1.00 0.00 C ATOM 0 H ALA A 116 10.806 -4.911 -9.219 1.00 0.00 H new ATOM 0 HA ALA A 116 13.456 -5.533 -8.337 1.00 0.00 H new ATOM 0 HB1 ALA A 116 14.005 -4.750 -10.607 1.00 0.00 H new ATOM 0 HB2 ALA A 116 12.647 -5.900 -10.629 1.00 0.00 H new ATOM 0 HB3 ALA A 116 12.340 -4.156 -10.807 1.00 0.00 H new ATOM 1442 N ASN A 117 14.134 -3.416 -7.249 1.00 0.00 N ATOM 1443 CA ASN A 117 14.621 -2.246 -6.513 1.00 0.00 C ATOM 1444 C ASN A 117 13.525 -1.608 -5.654 1.00 0.00 C ATOM 1445 O ASN A 117 13.645 -0.445 -5.277 1.00 0.00 O ATOM 1446 CB ASN A 117 15.348 -1.245 -7.434 1.00 0.00 C ATOM 1447 CG ASN A 117 16.417 -0.428 -6.716 1.00 0.00 C ATOM 1448 OD1 ASN A 117 17.073 -0.888 -5.786 1.00 0.00 O ATOM 1449 ND2 ASN A 117 16.675 0.789 -7.160 1.00 0.00 N ATOM 0 H ASN A 117 14.491 -4.288 -6.858 1.00 0.00 H new ATOM 0 HA ASN A 117 15.375 -2.596 -5.808 1.00 0.00 H new ATOM 0 HB2 ASN A 117 15.810 -1.790 -8.258 1.00 0.00 H new ATOM 0 HB3 ASN A 117 14.615 -0.567 -7.871 1.00 0.00 H new ATOM 0 HD21 ASN A 117 17.417 1.342 -6.730 1.00 0.00 H new ATOM 0 HD22 ASN A 117 16.133 1.176 -7.933 1.00 0.00 H new ATOM 1456 N ILE A 118 12.473 -2.355 -5.293 1.00 0.00 N ATOM 1457 CA ILE A 118 11.358 -1.881 -4.462 1.00 0.00 C ATOM 1458 C ILE A 118 11.836 -1.236 -3.175 1.00 0.00 C ATOM 1459 O ILE A 118 11.290 -0.240 -2.721 1.00 0.00 O ATOM 1460 CB ILE A 118 10.421 -3.054 -4.135 1.00 0.00 C ATOM 1461 CG1 ILE A 118 9.058 -2.526 -3.648 1.00 0.00 C ATOM 1462 CG2 ILE A 118 11.011 -4.110 -3.183 1.00 0.00 C ATOM 1463 CD1 ILE A 118 8.025 -3.630 -3.421 1.00 0.00 C ATOM 0 H ILE A 118 12.371 -3.329 -5.578 1.00 0.00 H new ATOM 0 HA ILE A 118 10.824 -1.121 -5.032 1.00 0.00 H new ATOM 0 HB ILE A 118 10.281 -3.598 -5.069 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.201 -1.976 -2.718 1.00 0.00 H new ATOM 0 HG13 ILE A 118 8.668 -1.819 -4.380 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.276 -4.897 -3.012 1.00 0.00 H new ATOM 0 HG22 ILE A 118 11.908 -4.541 -3.628 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.267 -3.641 -2.233 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.089 -3.188 -3.079 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.854 -4.165 -4.355 1.00 0.00 H new ATOM 0 HD13 ILE A 118 8.395 -4.325 -2.667 1.00 0.00 H new ATOM 1475 N SER A 119 12.881 -1.812 -2.603 1.00 0.00 N ATOM 1476 CA SER A 119 13.525 -1.304 -1.401 1.00 0.00 C ATOM 1477 C SER A 119 13.882 0.175 -1.546 1.00 0.00 C ATOM 1478 O SER A 119 13.657 0.961 -0.629 1.00 0.00 O ATOM 1479 CB SER A 119 14.770 -2.145 -1.103 1.00 0.00 C ATOM 1480 OG SER A 119 14.434 -3.520 -1.026 1.00 0.00 O ATOM 0 H SER A 119 13.314 -2.661 -2.967 1.00 0.00 H new ATOM 0 HA SER A 119 12.830 -1.384 -0.565 1.00 0.00 H new ATOM 0 HB2 SER A 119 15.516 -1.990 -1.883 1.00 0.00 H new ATOM 0 HB3 SER A 119 15.219 -1.821 -0.164 1.00 0.00 H new ATOM 0 HG SER A 119 14.640 -3.857 -0.129 1.00 0.00 H new ATOM 1486 N ALA A 120 14.389 0.553 -2.715 1.00 0.00 N ATOM 1487 CA ALA A 120 14.738 1.913 -3.074 1.00 0.00 C ATOM 1488 C ALA A 120 13.516 2.777 -3.396 1.00 0.00 C ATOM 1489 O ALA A 120 13.595 3.995 -3.248 1.00 0.00 O ATOM 1490 CB ALA A 120 15.671 1.879 -4.274 1.00 0.00 C ATOM 0 H ALA A 120 14.574 -0.112 -3.466 1.00 0.00 H new ATOM 0 HA ALA A 120 15.226 2.368 -2.212 1.00 0.00 H new ATOM 0 HB1 ALA A 120 15.941 2.897 -4.554 1.00 0.00 H new ATOM 0 HB2 ALA A 120 16.572 1.322 -4.018 1.00 0.00 H new ATOM 0 HB3 ALA A 120 15.169 1.393 -5.111 1.00 0.00 H new ATOM 1496 N TYR A 121 12.396 2.199 -3.840 1.00 0.00 N ATOM 1497 CA TYR A 121 11.145 2.931 -3.959 1.00 0.00 C ATOM 1498 C TYR A 121 10.657 3.260 -2.547 1.00 0.00 C ATOM 1499 O TYR A 121 10.333 4.410 -2.255 1.00 0.00 O ATOM 1500 CB TYR A 121 10.068 2.123 -4.695 1.00 0.00 C ATOM 1501 CG TYR A 121 10.161 1.967 -6.202 1.00 0.00 C ATOM 1502 CD1 TYR A 121 11.356 1.560 -6.827 1.00 0.00 C ATOM 1503 CD2 TYR A 121 8.998 2.151 -6.978 1.00 0.00 C ATOM 1504 CE1 TYR A 121 11.388 1.326 -8.210 1.00 0.00 C ATOM 1505 CE2 TYR A 121 9.027 1.929 -8.365 1.00 0.00 C ATOM 1506 CZ TYR A 121 10.222 1.500 -8.983 1.00 0.00 C ATOM 1507 OH TYR A 121 10.241 1.228 -10.313 1.00 0.00 O ATOM 0 H TYR A 121 12.337 1.221 -4.123 1.00 0.00 H new ATOM 0 HA TYR A 121 11.323 3.835 -4.542 1.00 0.00 H new ATOM 0 HB2 TYR A 121 10.055 1.123 -4.262 1.00 0.00 H new ATOM 0 HB3 TYR A 121 9.104 2.580 -4.471 1.00 0.00 H new ATOM 0 HD1 TYR A 121 12.252 1.427 -6.239 1.00 0.00 H new ATOM 0 HD2 TYR A 121 8.080 2.464 -6.503 1.00 0.00 H new ATOM 0 HE1 TYR A 121 12.307 1.012 -8.683 1.00 0.00 H new ATOM 0 HE2 TYR A 121 8.138 2.086 -8.957 1.00 0.00 H new ATOM 0 HH TYR A 121 10.894 0.520 -10.493 1.00 0.00 H new ATOM 1517 N ALA A 122 10.641 2.264 -1.653 1.00 0.00 N ATOM 1518 CA ALA A 122 10.216 2.439 -0.276 1.00 0.00 C ATOM 1519 C ALA A 122 11.149 3.396 0.467 1.00 0.00 C ATOM 1520 O ALA A 122 10.709 4.088 1.379 1.00 0.00 O ATOM 1521 CB ALA A 122 10.131 1.074 0.415 1.00 0.00 C ATOM 0 H ALA A 122 10.926 1.310 -1.875 1.00 0.00 H new ATOM 0 HA ALA A 122 9.224 2.890 -0.262 1.00 0.00 H new ATOM 0 HB1 ALA A 122 9.812 1.209 1.448 1.00 0.00 H new ATOM 0 HB2 ALA A 122 9.411 0.445 -0.108 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.110 0.596 0.397 1.00 0.00 H new ATOM 1527 N ASP A 123 12.415 3.483 0.057 1.00 0.00 N ATOM 1528 CA ASP A 123 13.387 4.452 0.553 1.00 0.00 C ATOM 1529 C ASP A 123 12.982 5.882 0.214 1.00 0.00 C ATOM 1530 O ASP A 123 13.189 6.780 1.019 1.00 0.00 O ATOM 1531 CB ASP A 123 14.744 4.169 -0.083 1.00 0.00 C ATOM 1532 CG ASP A 123 15.900 4.872 0.617 1.00 0.00 C ATOM 1533 OD1 ASP A 123 16.040 4.784 1.860 1.00 0.00 O ATOM 1534 OD2 ASP A 123 16.768 5.429 -0.094 1.00 0.00 O ATOM 0 H ASP A 123 12.802 2.860 -0.652 1.00 0.00 H new ATOM 0 HA ASP A 123 13.433 4.354 1.638 1.00 0.00 H new ATOM 0 HB2 ASP A 123 14.924 3.094 -0.074 1.00 0.00 H new ATOM 0 HB3 ASP A 123 14.719 4.479 -1.128 1.00 0.00 H new ATOM 1539 N ILE A 124 12.382 6.104 -0.958 1.00 0.00 N ATOM 1540 CA ILE A 124 11.805 7.406 -1.322 1.00 0.00 C ATOM 1541 C ILE A 124 10.569 7.675 -0.454 1.00 0.00 C ATOM 1542 O ILE A 124 10.379 8.797 0.016 1.00 0.00 O ATOM 1543 CB ILE A 124 11.440 7.512 -2.825 1.00 0.00 C ATOM 1544 CG1 ILE A 124 12.618 7.189 -3.764 1.00 0.00 C ATOM 1545 CG2 ILE A 124 10.953 8.937 -3.153 1.00 0.00 C ATOM 1546 CD1 ILE A 124 12.137 6.751 -5.154 1.00 0.00 C ATOM 0 H ILE A 124 12.281 5.391 -1.681 1.00 0.00 H new ATOM 0 HA ILE A 124 12.569 8.162 -1.138 1.00 0.00 H new ATOM 0 HB ILE A 124 10.657 6.772 -2.993 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.257 8.067 -3.861 1.00 0.00 H new ATOM 0 HG13 ILE A 124 13.227 6.399 -3.325 1.00 0.00 H new ATOM 0 HG21 ILE A 124 10.699 9.000 -4.211 1.00 0.00 H new ATOM 0 HG22 ILE A 124 10.072 9.167 -2.554 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.743 9.653 -2.926 1.00 0.00 H new ATOM 0 HD11 ILE A 124 12.999 6.533 -5.785 1.00 0.00 H new ATOM 0 HD12 ILE A 124 11.520 5.857 -5.061 1.00 0.00 H new ATOM 0 HD13 ILE A 124 11.550 7.551 -5.605 1.00 0.00 H new ATOM 1558 N VAL A 125 9.696 6.689 -0.236 1.00 0.00 N ATOM 1559 CA VAL A 125 8.536 6.887 0.634 1.00 0.00 C ATOM 1560 C VAL A 125 9.023 7.245 2.044 1.00 0.00 C ATOM 1561 O VAL A 125 8.538 8.221 2.620 1.00 0.00 O ATOM 1562 CB VAL A 125 7.591 5.677 0.580 1.00 0.00 C ATOM 1563 CG1 VAL A 125 6.320 5.918 1.414 1.00 0.00 C ATOM 1564 CG2 VAL A 125 7.153 5.390 -0.869 1.00 0.00 C ATOM 0 H VAL A 125 9.769 5.757 -0.644 1.00 0.00 H new ATOM 0 HA VAL A 125 7.934 7.725 0.282 1.00 0.00 H new ATOM 0 HB VAL A 125 8.144 4.830 0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 125 5.674 5.042 1.354 1.00 0.00 H new ATOM 0 HG12 VAL A 125 6.595 6.095 2.454 1.00 0.00 H new ATOM 0 HG13 VAL A 125 5.790 6.788 1.026 1.00 0.00 H new ATOM 0 HG21 VAL A 125 6.484 4.529 -0.883 1.00 0.00 H new ATOM 0 HG22 VAL A 125 6.633 6.260 -1.271 1.00 0.00 H new ATOM 0 HG23 VAL A 125 8.031 5.178 -1.479 1.00 0.00 H new ATOM 1574 N ARG A 126 10.035 6.543 2.559 1.00 0.00 N ATOM 1575 CA ARG A 126 10.726 6.907 3.791 1.00 0.00 C ATOM 1576 C ARG A 126 11.252 8.335 3.708 1.00 0.00 C ATOM 1577 O ARG A 126 10.943 9.129 4.587 1.00 0.00 O ATOM 1578 CB ARG A 126 11.844 5.904 4.099 1.00 0.00 C ATOM 1579 CG ARG A 126 12.486 6.241 5.449 1.00 0.00 C ATOM 1580 CD ARG A 126 13.638 5.292 5.757 1.00 0.00 C ATOM 1581 NE ARG A 126 14.368 5.742 6.947 1.00 0.00 N ATOM 1582 CZ ARG A 126 15.673 5.582 7.182 1.00 0.00 C ATOM 1583 NH1 ARG A 126 16.452 4.873 6.370 1.00 0.00 N ATOM 1584 NH2 ARG A 126 16.227 6.145 8.244 1.00 0.00 N ATOM 0 H ARG A 126 10.400 5.696 2.124 1.00 0.00 H new ATOM 0 HA ARG A 126 10.016 6.868 4.617 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.441 4.891 4.120 1.00 0.00 H new ATOM 0 HB3 ARG A 126 12.597 5.931 3.311 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.850 7.268 5.437 1.00 0.00 H new ATOM 0 HG3 ARG A 126 11.737 6.178 6.238 1.00 0.00 H new ATOM 0 HD2 ARG A 126 13.254 4.284 5.917 1.00 0.00 H new ATOM 0 HD3 ARG A 126 14.315 5.243 4.904 1.00 0.00 H new ATOM 0 HE ARG A 126 13.827 6.224 7.665 1.00 0.00 H new ATOM 0 HH11 ARG A 126 16.056 4.432 5.540 1.00 0.00 H new ATOM 0 HH12 ARG A 126 17.445 4.770 6.578 1.00 0.00 H new ATOM 0 HH21 ARG A 126 15.657 6.701 8.882 1.00 0.00 H new ATOM 0 HH22 ARG A 126 17.224 6.023 8.424 1.00 0.00 H new ATOM 1598 N GLU A 127 12.027 8.684 2.680 1.00 0.00 N ATOM 1599 CA GLU A 127 12.684 9.977 2.533 1.00 0.00 C ATOM 1600 C GLU A 127 11.668 11.087 2.690 1.00 0.00 C ATOM 1601 O GLU A 127 11.832 12.000 3.494 1.00 0.00 O ATOM 1602 CB GLU A 127 13.327 10.081 1.139 1.00 0.00 C ATOM 1603 CG GLU A 127 14.018 11.430 0.902 1.00 0.00 C ATOM 1604 CD GLU A 127 14.533 11.569 -0.530 1.00 0.00 C ATOM 1605 OE1 GLU A 127 13.712 11.659 -1.470 1.00 0.00 O ATOM 1606 OE2 GLU A 127 15.771 11.673 -0.711 1.00 0.00 O ATOM 0 H GLU A 127 12.219 8.051 1.903 1.00 0.00 H new ATOM 0 HA GLU A 127 13.454 10.071 3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 127 14.055 9.279 1.019 1.00 0.00 H new ATOM 0 HB3 GLU A 127 12.561 9.932 0.378 1.00 0.00 H new ATOM 0 HG2 GLU A 127 13.318 12.238 1.115 1.00 0.00 H new ATOM 0 HG3 GLU A 127 14.850 11.538 1.598 1.00 0.00 H new ATOM 1613 N ARG A 128 10.608 11.027 1.895 1.00 0.00 N ATOM 1614 CA ARG A 128 9.625 12.100 1.930 1.00 0.00 C ATOM 1615 C ARG A 128 8.871 12.109 3.260 1.00 0.00 C ATOM 1616 O ARG A 128 8.354 13.169 3.606 1.00 0.00 O ATOM 1617 CB ARG A 128 8.687 12.064 0.716 1.00 0.00 C ATOM 1618 CG ARG A 128 9.414 11.982 -0.639 1.00 0.00 C ATOM 1619 CD ARG A 128 10.405 13.112 -0.945 1.00 0.00 C ATOM 1620 NE ARG A 128 11.204 12.785 -2.136 1.00 0.00 N ATOM 1621 CZ ARG A 128 10.763 12.750 -3.399 1.00 0.00 C ATOM 1622 NH1 ARG A 128 9.554 13.183 -3.734 1.00 0.00 N ATOM 1623 NH2 ARG A 128 11.526 12.250 -4.357 1.00 0.00 N ATOM 0 H ARG A 128 10.410 10.272 1.238 1.00 0.00 H new ATOM 0 HA ARG A 128 10.163 13.046 1.861 1.00 0.00 H new ATOM 0 HB2 ARG A 128 8.020 11.207 0.811 1.00 0.00 H new ATOM 0 HB3 ARG A 128 8.062 12.957 0.727 1.00 0.00 H new ATOM 0 HG2 ARG A 128 9.951 11.034 -0.683 1.00 0.00 H new ATOM 0 HG3 ARG A 128 8.664 11.961 -1.430 1.00 0.00 H new ATOM 0 HD2 ARG A 128 9.864 14.045 -1.107 1.00 0.00 H new ATOM 0 HD3 ARG A 128 11.063 13.269 -0.090 1.00 0.00 H new ATOM 0 HE ARG A 128 12.188 12.564 -1.985 1.00 0.00 H new ATOM 0 HH11 ARG A 128 8.930 13.557 -3.019 1.00 0.00 H new ATOM 0 HH12 ARG A 128 9.249 13.142 -4.706 1.00 0.00 H new ATOM 0 HH21 ARG A 128 12.454 11.889 -4.134 1.00 0.00 H new ATOM 0 HH22 ARG A 128 11.187 12.225 -5.319 1.00 0.00 H new ATOM 1637 N ALA A 129 8.788 11.006 4.014 1.00 0.00 N ATOM 1638 CA ALA A 129 8.227 11.006 5.363 1.00 0.00 C ATOM 1639 C ALA A 129 9.217 11.613 6.367 1.00 0.00 C ATOM 1640 O ALA A 129 8.785 12.340 7.263 1.00 0.00 O ATOM 1641 CB ALA A 129 7.756 9.603 5.773 1.00 0.00 C ATOM 0 H ALA A 129 9.109 10.090 3.702 1.00 0.00 H new ATOM 0 HA ALA A 129 7.341 11.641 5.366 1.00 0.00 H new ATOM 0 HB1 ALA A 129 7.344 9.638 6.782 1.00 0.00 H new ATOM 0 HB2 ALA A 129 6.989 9.260 5.079 1.00 0.00 H new ATOM 0 HB3 ALA A 129 8.601 8.914 5.750 1.00 0.00 H new ATOM 1647 N VAL A 130 10.526 11.394 6.201 1.00 0.00 N ATOM 1648 CA VAL A 130 11.579 12.048 6.975 1.00 0.00 C ATOM 1649 C VAL A 130 11.491 13.561 6.737 1.00 0.00 C ATOM 1650 O VAL A 130 11.357 14.347 7.672 1.00 0.00 O ATOM 1651 CB VAL A 130 12.957 11.434 6.608 1.00 0.00 C ATOM 1652 CG1 VAL A 130 14.140 12.219 7.183 1.00 0.00 C ATOM 1653 CG2 VAL A 130 13.099 9.969 7.059 1.00 0.00 C ATOM 0 H VAL A 130 10.888 10.740 5.507 1.00 0.00 H new ATOM 0 HA VAL A 130 11.452 11.882 8.045 1.00 0.00 H new ATOM 0 HB VAL A 130 12.985 11.487 5.520 1.00 0.00 H new ATOM 0 HG11 VAL A 130 15.073 11.738 6.890 1.00 0.00 H new ATOM 0 HG12 VAL A 130 14.121 13.239 6.798 1.00 0.00 H new ATOM 0 HG13 VAL A 130 14.069 12.240 8.270 1.00 0.00 H new ATOM 0 HG21 VAL A 130 14.082 9.595 6.775 1.00 0.00 H new ATOM 0 HG22 VAL A 130 12.987 9.909 8.142 1.00 0.00 H new ATOM 0 HG23 VAL A 130 12.328 9.365 6.580 1.00 0.00 H new ATOM 1663 N VAL A 131 11.515 13.997 5.480 1.00 0.00 N ATOM 1664 CA VAL A 131 11.455 15.419 5.157 1.00 0.00 C ATOM 1665 C VAL A 131 10.091 16.012 5.564 1.00 0.00 C ATOM 1666 O VAL A 131 10.030 17.195 5.909 1.00 0.00 O ATOM 1667 CB VAL A 131 11.823 15.652 3.680 1.00 0.00 C ATOM 1668 CG1 VAL A 131 11.904 17.150 3.356 1.00 0.00 C ATOM 1669 CG2 VAL A 131 13.201 15.072 3.315 1.00 0.00 C ATOM 0 H VAL A 131 11.576 13.384 4.667 1.00 0.00 H new ATOM 0 HA VAL A 131 12.200 15.959 5.741 1.00 0.00 H new ATOM 0 HB VAL A 131 11.036 15.155 3.113 1.00 0.00 H new ATOM 0 HG11 VAL A 131 12.166 17.282 2.306 1.00 0.00 H new ATOM 0 HG12 VAL A 131 10.939 17.617 3.551 1.00 0.00 H new ATOM 0 HG13 VAL A 131 12.665 17.617 3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 131 13.410 15.265 2.263 1.00 0.00 H new ATOM 0 HG22 VAL A 131 13.968 15.543 3.929 1.00 0.00 H new ATOM 0 HG23 VAL A 131 13.202 13.997 3.494 1.00 0.00 H new ATOM 1679 N ARG A 132 9.006 15.220 5.578 1.00 0.00 N ATOM 1680 CA ARG A 132 7.706 15.654 6.095 1.00 0.00 C ATOM 1681 C ARG A 132 7.817 16.042 7.553 1.00 0.00 C ATOM 1682 O ARG A 132 7.444 17.151 7.912 1.00 0.00 O ATOM 1683 CB ARG A 132 6.599 14.608 5.848 1.00 0.00 C ATOM 1684 CG ARG A 132 5.219 15.041 6.374 1.00 0.00 C ATOM 1685 CD ARG A 132 4.137 13.969 6.173 1.00 0.00 C ATOM 1686 NE ARG A 132 3.863 13.659 4.759 1.00 0.00 N ATOM 1687 CZ ARG A 132 2.926 14.198 3.972 1.00 0.00 C ATOM 1688 NH1 ARG A 132 2.258 15.283 4.339 1.00 0.00 N ATOM 1689 NH2 ARG A 132 2.635 13.655 2.795 1.00 0.00 N ATOM 0 H ARG A 132 9.010 14.261 5.230 1.00 0.00 H new ATOM 0 HA ARG A 132 7.405 16.541 5.538 1.00 0.00 H new ATOM 0 HB2 ARG A 132 6.527 14.413 4.778 1.00 0.00 H new ATOM 0 HB3 ARG A 132 6.883 13.670 6.325 1.00 0.00 H new ATOM 0 HG2 ARG A 132 5.298 15.275 7.436 1.00 0.00 H new ATOM 0 HG3 ARG A 132 4.914 15.957 5.867 1.00 0.00 H new ATOM 0 HD2 ARG A 132 4.444 13.056 6.683 1.00 0.00 H new ATOM 0 HD3 ARG A 132 3.214 14.304 6.647 1.00 0.00 H new ATOM 0 HE ARG A 132 4.458 12.950 4.330 1.00 0.00 H new ATOM 0 HH11 ARG A 132 2.455 15.723 5.238 1.00 0.00 H new ATOM 0 HH12 ARG A 132 1.547 15.677 3.723 1.00 0.00 H new ATOM 0 HH21 ARG A 132 3.128 12.818 2.483 1.00 0.00 H new ATOM 0 HH22 ARG A 132 1.918 14.075 2.203 1.00 0.00 H new ATOM 1703 N GLU A 133 8.323 15.148 8.388 1.00 0.00 N ATOM 1704 CA GLU A 133 8.413 15.406 9.828 1.00 0.00 C ATOM 1705 C GLU A 133 9.463 16.469 10.153 1.00 0.00 C ATOM 1706 O GLU A 133 9.410 17.118 11.198 1.00 0.00 O ATOM 1707 CB GLU A 133 8.664 14.109 10.598 1.00 0.00 C ATOM 1708 CG GLU A 133 10.041 13.467 10.409 1.00 0.00 C ATOM 1709 CD GLU A 133 10.271 12.260 11.316 1.00 0.00 C ATOM 1710 OE1 GLU A 133 9.877 12.302 12.504 1.00 0.00 O ATOM 1711 OE2 GLU A 133 10.983 11.319 10.896 1.00 0.00 O ATOM 0 H GLU A 133 8.679 14.237 8.100 1.00 0.00 H new ATOM 0 HA GLU A 133 7.452 15.806 10.152 1.00 0.00 H new ATOM 0 HB2 GLU A 133 8.522 14.308 11.660 1.00 0.00 H new ATOM 0 HB3 GLU A 133 7.905 13.384 10.305 1.00 0.00 H new ATOM 0 HG2 GLU A 133 10.151 13.159 9.369 1.00 0.00 H new ATOM 0 HG3 GLU A 133 10.812 14.212 10.604 1.00 0.00 H new ATOM 1718 N MET A 134 10.425 16.651 9.256 1.00 0.00 N ATOM 1719 CA MET A 134 11.388 17.753 9.283 1.00 0.00 C ATOM 1720 C MET A 134 10.832 19.061 8.686 1.00 0.00 C ATOM 1721 O MET A 134 11.552 20.060 8.679 1.00 0.00 O ATOM 1722 CB MET A 134 12.693 17.343 8.587 1.00 0.00 C ATOM 1723 CG MET A 134 13.449 16.274 9.380 1.00 0.00 C ATOM 1724 SD MET A 134 15.092 15.889 8.714 1.00 0.00 S ATOM 1725 CE MET A 134 15.652 14.803 10.048 1.00 0.00 C ATOM 0 H MET A 134 10.563 16.020 8.467 1.00 0.00 H new ATOM 0 HA MET A 134 11.594 17.963 10.333 1.00 0.00 H new ATOM 0 HB2 MET A 134 12.470 16.965 7.589 1.00 0.00 H new ATOM 0 HB3 MET A 134 13.329 18.219 8.461 1.00 0.00 H new ATOM 0 HG2 MET A 134 13.555 16.609 10.412 1.00 0.00 H new ATOM 0 HG3 MET A 134 12.853 15.362 9.400 1.00 0.00 H new ATOM 0 HE1 MET A 134 16.660 14.450 9.831 1.00 0.00 H new ATOM 0 HE2 MET A 134 15.655 15.354 10.988 1.00 0.00 H new ATOM 0 HE3 MET A 134 14.978 13.950 10.130 1.00 0.00 H new ATOM 1735 N ILE A 135 9.573 19.092 8.237 1.00 0.00 N ATOM 1736 CA ILE A 135 8.853 20.271 7.753 1.00 0.00 C ATOM 1737 C ILE A 135 9.657 20.992 6.648 1.00 0.00 C ATOM 1738 O ILE A 135 9.762 22.221 6.635 1.00 0.00 O ATOM 1739 CB ILE A 135 8.403 21.155 8.957 1.00 0.00 C ATOM 1740 CG1 ILE A 135 7.828 20.364 10.162 1.00 0.00 C ATOM 1741 CG2 ILE A 135 7.352 22.210 8.556 1.00 0.00 C ATOM 1742 CD1 ILE A 135 6.478 19.677 9.904 1.00 0.00 C ATOM 0 H ILE A 135 9.000 18.249 8.200 1.00 0.00 H new ATOM 0 HA ILE A 135 7.927 19.979 7.257 1.00 0.00 H new ATOM 0 HB ILE A 135 9.332 21.632 9.268 1.00 0.00 H new ATOM 0 HG12 ILE A 135 8.553 19.606 10.459 1.00 0.00 H new ATOM 0 HG13 ILE A 135 7.716 21.046 11.005 1.00 0.00 H new ATOM 0 HG21 ILE A 135 7.074 22.797 9.431 1.00 0.00 H new ATOM 0 HG22 ILE A 135 7.770 22.869 7.795 1.00 0.00 H new ATOM 0 HG23 ILE A 135 6.468 21.711 8.159 1.00 0.00 H new ATOM 0 HD11 ILE A 135 6.160 19.151 10.804 1.00 0.00 H new ATOM 0 HD12 ILE A 135 5.733 20.427 9.639 1.00 0.00 H new ATOM 0 HD13 ILE A 135 6.583 18.965 9.085 1.00 0.00 H new ATOM 1754 N SER A 136 10.205 20.230 5.693 1.00 0.00 N ATOM 1755 CA SER A 136 11.088 20.715 4.631 1.00 0.00 C ATOM 1756 C SER A 136 12.274 21.505 5.190 1.00 0.00 C ATOM 1757 O SER A 136 13.266 20.865 5.609 1.00 0.00 O ATOM 1758 CB SER A 136 10.310 21.529 3.587 1.00 0.00 C ATOM 1759 OG SER A 136 9.368 20.762 2.851 1.00 0.00 O ATOM 1760 OXT SER A 136 12.320 22.746 5.047 1.00 0.00 O ATOM 0 H SER A 136 10.039 19.225 5.639 1.00 0.00 H new ATOM 0 HA SER A 136 11.498 19.839 4.128 1.00 0.00 H new ATOM 0 HB2 SER A 136 9.789 22.344 4.089 1.00 0.00 H new ATOM 0 HB3 SER A 136 11.017 21.983 2.893 1.00 0.00 H new ATOM 0 HG SER A 136 8.908 21.340 2.207 1.00 0.00 H new TER 1766 SER A 136