USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 610 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 69 CYS SG : rot -122:sc= -6.21! USER MOD Set 1.2: A 74 GLN :FLIP amide:sc= 0.847 F(o=-9.2!,f=-5.4) USER MOD Single : A 37 CYS SG : rot 180:sc= -2.17! USER MOD Single : A 39 SER OG : rot 48:sc= 0.132 USER MOD Single : A 40 GLN : amide:sc= -1.67! C(o=-1.7!,f=-5.5!) USER MOD Single : A 45 ASN : amide:sc= -0.129 X(o=-0.13,f=-0.15) USER MOD Single : A 50 ASN : amide:sc= -0.433 K(o=-0.43,f=-1.9) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 CYS SG : rot 72:sc= 1.2 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -7.15! C(o=-7.1!,f=-8.6!) USER MOD Single : A 71 GLN : amide:sc= 0.0369 X(o=0.037,f=-0.21) USER MOD Single : A 80 SER OG : rot -174:sc= 0.553 USER MOD Single : A 84 GLN : amide:sc= -7.78! C(o=-7.8!,f=-11!) USER MOD Single : A 87 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00794) USER MOD Single : A 88 THR OG1 : rot 150:sc= -1.15 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.0888 X(o=-0.089,f=-0.057) USER MOD Single : A 95 SER OG : rot 131:sc= 1.25 USER MOD Single : A 97 GLN :FLIP amide:sc= -0.414 F(o=-1.7,f=-0.41) USER MOD Single : A 100 SER OG : rot 39:sc= 0.473 USER MOD Single : A 107 LYS NZ :NH3+ -170:sc= 1.04 (180deg=1.04) USER MOD Single : A 109 ASN : amide:sc= -3.42! C(o=-3.4!,f=-12!) USER MOD Single : A 115 LYS NZ :NH3+ 150:sc= 0.0568 (180deg=-0.0761) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N GLU A 36 2.979 7.082 -5.119 1.00 0.00 N ATOM 31 CA GLU A 36 4.086 6.140 -5.033 1.00 0.00 C ATOM 32 C GLU A 36 3.581 4.743 -4.695 1.00 0.00 C ATOM 33 O GLU A 36 3.029 4.520 -3.621 1.00 0.00 O ATOM 34 CB GLU A 36 5.078 6.609 -3.972 1.00 0.00 C ATOM 35 CG GLU A 36 5.543 8.045 -4.163 1.00 0.00 C ATOM 36 CD GLU A 36 6.005 8.339 -5.575 1.00 0.00 C ATOM 37 OE1 GLU A 36 7.147 7.978 -5.922 1.00 0.00 O ATOM 38 OE2 GLU A 36 5.235 8.958 -6.335 1.00 0.00 O ATOM 0 HA GLU A 36 4.585 6.098 -6.001 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.617 6.513 -2.989 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.947 5.951 -3.983 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.728 8.721 -3.906 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.359 8.251 -3.470 1.00 0.00 H new ATOM 45 N CYS A 37 3.764 3.810 -5.613 1.00 0.00 N ATOM 46 CA CYS A 37 3.276 2.454 -5.427 1.00 0.00 C ATOM 47 C CYS A 37 4.405 1.523 -5.002 1.00 0.00 C ATOM 48 O CYS A 37 5.525 1.620 -5.510 1.00 0.00 O ATOM 49 CB CYS A 37 2.648 1.947 -6.725 1.00 0.00 C ATOM 50 SG CYS A 37 1.564 3.148 -7.531 1.00 0.00 S ATOM 0 H CYS A 37 4.248 3.967 -6.497 1.00 0.00 H new ATOM 0 HA CYS A 37 2.524 2.465 -4.638 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.443 1.668 -7.417 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.078 1.043 -6.512 1.00 0.00 H new ATOM 0 HG CYS A 37 1.080 2.632 -8.622 1.00 0.00 H new ATOM 56 N VAL A 38 4.114 0.638 -4.061 1.00 0.00 N ATOM 57 CA VAL A 38 5.069 -0.377 -3.636 1.00 0.00 C ATOM 58 C VAL A 38 4.409 -1.756 -3.673 1.00 0.00 C ATOM 59 O VAL A 38 3.213 -1.886 -3.397 1.00 0.00 O ATOM 60 CB VAL A 38 5.621 -0.090 -2.214 1.00 0.00 C ATOM 61 CG1 VAL A 38 4.499 -0.064 -1.188 1.00 0.00 C ATOM 62 CG2 VAL A 38 6.686 -1.108 -1.829 1.00 0.00 C ATOM 0 H VAL A 38 3.219 0.601 -3.574 1.00 0.00 H new ATOM 0 HA VAL A 38 5.911 -0.354 -4.327 1.00 0.00 H new ATOM 0 HB VAL A 38 6.086 0.896 -2.227 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.914 0.139 -0.201 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.785 0.717 -1.449 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.993 -1.029 -1.178 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.057 -0.886 -0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.254 -2.109 -1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.510 -1.059 -2.541 1.00 0.00 H new ATOM 72 N SER A 39 5.172 -2.779 -4.029 1.00 0.00 N ATOM 73 CA SER A 39 4.642 -4.127 -4.101 1.00 0.00 C ATOM 74 C SER A 39 5.104 -4.957 -2.905 1.00 0.00 C ATOM 75 O SER A 39 6.289 -5.264 -2.768 1.00 0.00 O ATOM 76 CB SER A 39 5.072 -4.780 -5.414 1.00 0.00 C ATOM 77 OG SER A 39 6.464 -4.615 -5.636 1.00 0.00 O ATOM 0 H SER A 39 6.159 -2.698 -4.272 1.00 0.00 H new ATOM 0 HA SER A 39 3.553 -4.080 -4.071 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.828 -5.842 -5.392 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.514 -4.341 -6.241 1.00 0.00 H new ATOM 0 HG SER A 39 6.955 -4.852 -4.822 1.00 0.00 H new ATOM 83 N GLN A 40 4.166 -5.299 -2.034 1.00 0.00 N ATOM 84 CA GLN A 40 4.461 -6.102 -0.855 1.00 0.00 C ATOM 85 C GLN A 40 3.264 -6.956 -0.494 1.00 0.00 C ATOM 86 O GLN A 40 2.148 -6.685 -0.929 1.00 0.00 O ATOM 87 CB GLN A 40 4.846 -5.215 0.326 1.00 0.00 C ATOM 88 CG GLN A 40 6.346 -5.114 0.546 1.00 0.00 C ATOM 89 CD GLN A 40 6.892 -6.199 1.457 1.00 0.00 C ATOM 90 OE1 GLN A 40 8.034 -6.628 1.307 1.00 0.00 O ATOM 91 NE2 GLN A 40 6.089 -6.631 2.421 1.00 0.00 N ATOM 0 H GLN A 40 3.186 -5.030 -2.123 1.00 0.00 H new ATOM 0 HA GLN A 40 5.306 -6.750 -1.086 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.442 -4.215 0.166 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.380 -5.606 1.231 1.00 0.00 H new ATOM 0 HG2 GLN A 40 6.852 -5.169 -0.418 1.00 0.00 H new ATOM 0 HG3 GLN A 40 6.579 -4.139 0.973 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.148 -6.248 2.511 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.413 -7.346 3.073 1.00 0.00 H new ATOM 100 N ALA A 41 3.505 -7.999 0.271 1.00 0.00 N ATOM 101 CA ALA A 41 2.453 -8.910 0.678 1.00 0.00 C ATOM 102 C ALA A 41 2.395 -9.031 2.198 1.00 0.00 C ATOM 103 O ALA A 41 3.389 -8.782 2.879 1.00 0.00 O ATOM 104 CB ALA A 41 2.713 -10.251 0.031 1.00 0.00 C ATOM 0 H ALA A 41 4.430 -8.240 0.628 1.00 0.00 H new ATOM 0 HA ALA A 41 1.484 -8.529 0.354 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.933 -10.954 0.324 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.712 -10.138 -1.053 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.682 -10.630 0.355 1.00 0.00 H new ATOM 110 N ILE A 42 1.230 -9.419 2.723 1.00 0.00 N ATOM 111 CA ILE A 42 1.014 -9.497 4.172 1.00 0.00 C ATOM 112 C ILE A 42 -0.014 -10.575 4.498 1.00 0.00 C ATOM 113 O ILE A 42 -0.715 -11.071 3.612 1.00 0.00 O ATOM 114 CB ILE A 42 0.492 -8.169 4.790 1.00 0.00 C ATOM 115 CG1 ILE A 42 -1.037 -8.077 4.653 1.00 0.00 C ATOM 116 CG2 ILE A 42 1.165 -6.961 4.157 1.00 0.00 C ATOM 117 CD1 ILE A 42 -1.624 -6.763 5.114 1.00 0.00 C ATOM 0 H ILE A 42 0.419 -9.685 2.165 1.00 0.00 H new ATOM 0 HA ILE A 42 1.991 -9.724 4.598 1.00 0.00 H new ATOM 0 HB ILE A 42 0.746 -8.169 5.850 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.307 -8.236 3.609 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.491 -8.885 5.226 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.778 -6.049 4.611 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.241 -7.018 4.319 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.959 -6.949 3.087 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.706 -6.782 4.983 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.388 -6.609 6.167 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.202 -5.949 4.525 1.00 0.00 H new ATOM 129 N ASP A 43 -0.104 -10.909 5.775 1.00 0.00 N ATOM 130 CA ASP A 43 -1.151 -11.788 6.280 1.00 0.00 C ATOM 131 C ASP A 43 -2.501 -11.104 6.211 1.00 0.00 C ATOM 132 O ASP A 43 -2.632 -9.961 6.637 1.00 0.00 O ATOM 133 CB ASP A 43 -0.864 -12.156 7.729 1.00 0.00 C ATOM 134 CG ASP A 43 -0.031 -13.413 7.846 1.00 0.00 C ATOM 135 OD1 ASP A 43 -0.621 -14.514 7.874 1.00 0.00 O ATOM 136 OD2 ASP A 43 1.211 -13.309 7.888 1.00 0.00 O ATOM 0 H ASP A 43 0.544 -10.580 6.491 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.168 -12.686 5.662 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.343 -11.331 8.215 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.806 -12.296 8.260 1.00 0.00 H new ATOM 141 N ILE A 44 -3.520 -11.788 5.703 1.00 0.00 N ATOM 142 CA ILE A 44 -4.839 -11.180 5.616 1.00 0.00 C ATOM 143 C ILE A 44 -5.634 -11.471 6.866 1.00 0.00 C ATOM 144 O ILE A 44 -6.606 -10.793 7.176 1.00 0.00 O ATOM 145 CB ILE A 44 -5.639 -11.696 4.415 1.00 0.00 C ATOM 146 CG1 ILE A 44 -6.276 -13.044 4.694 1.00 0.00 C ATOM 147 CG2 ILE A 44 -4.743 -11.799 3.206 1.00 0.00 C ATOM 148 CD1 ILE A 44 -7.328 -13.379 3.679 1.00 0.00 C ATOM 0 H ILE A 44 -3.460 -12.744 5.352 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.678 -10.108 5.498 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.440 -10.982 4.224 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.508 -13.817 4.691 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.719 -13.038 5.690 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.319 -12.166 2.357 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.336 -10.816 2.970 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.926 -12.489 3.416 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.762 -14.352 3.912 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -8.109 -12.619 3.700 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.879 -13.410 2.686 1.00 0.00 H new ATOM 160 N ASN A 45 -5.236 -12.509 7.565 1.00 0.00 N ATOM 161 CA ASN A 45 -5.902 -12.882 8.789 1.00 0.00 C ATOM 162 C ASN A 45 -5.281 -12.108 9.940 1.00 0.00 C ATOM 163 O ASN A 45 -5.773 -12.142 11.069 1.00 0.00 O ATOM 164 CB ASN A 45 -5.755 -14.380 9.050 1.00 0.00 C ATOM 165 CG ASN A 45 -6.223 -15.234 7.895 1.00 0.00 C ATOM 166 OD1 ASN A 45 -7.392 -15.597 7.813 1.00 0.00 O ATOM 167 ND2 ASN A 45 -5.310 -15.569 7.000 1.00 0.00 N ATOM 0 H ASN A 45 -4.454 -13.110 7.306 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.963 -12.648 8.701 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.709 -14.605 9.259 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.323 -14.644 9.942 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.567 -16.151 6.203 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.349 -15.245 7.106 1.00 0.00 H new ATOM 174 N GLU A 46 -4.199 -11.393 9.634 1.00 0.00 N ATOM 175 CA GLU A 46 -3.468 -10.637 10.618 1.00 0.00 C ATOM 176 C GLU A 46 -3.410 -9.165 10.186 1.00 0.00 C ATOM 177 O GLU A 46 -3.878 -8.833 9.096 1.00 0.00 O ATOM 178 CB GLU A 46 -2.080 -11.260 10.811 1.00 0.00 C ATOM 179 CG GLU A 46 -2.138 -12.632 11.463 1.00 0.00 C ATOM 180 CD GLU A 46 -0.777 -13.170 11.847 1.00 0.00 C ATOM 181 OE1 GLU A 46 0.143 -12.363 12.083 1.00 0.00 O ATOM 182 OE2 GLU A 46 -0.631 -14.406 11.945 1.00 0.00 O ATOM 0 H GLU A 46 -3.814 -11.330 8.692 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.970 -10.669 11.585 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.586 -11.343 9.843 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.470 -10.596 11.424 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.764 -12.577 12.354 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.618 -13.332 10.779 1.00 0.00 H new ATOM 189 N PRO A 47 -2.853 -8.276 11.024 1.00 0.00 N ATOM 190 CA PRO A 47 -2.938 -6.815 10.847 1.00 0.00 C ATOM 191 C PRO A 47 -2.618 -6.314 9.440 1.00 0.00 C ATOM 192 O PRO A 47 -1.575 -6.637 8.872 1.00 0.00 O ATOM 193 CB PRO A 47 -1.888 -6.278 11.826 1.00 0.00 C ATOM 194 CG PRO A 47 -1.110 -7.465 12.270 1.00 0.00 C ATOM 195 CD PRO A 47 -2.060 -8.608 12.206 1.00 0.00 C ATOM 0 HA PRO A 47 -3.960 -6.479 11.021 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.242 -5.544 11.344 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.360 -5.780 12.673 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.248 -7.634 11.624 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.728 -7.328 13.282 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.544 -9.562 12.097 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.675 -8.679 13.103 1.00 0.00 H new ATOM 203 N ILE A 48 -3.520 -5.505 8.891 1.00 0.00 N ATOM 204 CA ILE A 48 -3.279 -4.854 7.607 1.00 0.00 C ATOM 205 C ILE A 48 -2.433 -3.608 7.820 1.00 0.00 C ATOM 206 O ILE A 48 -1.782 -3.114 6.904 1.00 0.00 O ATOM 207 CB ILE A 48 -4.600 -4.483 6.881 1.00 0.00 C ATOM 208 CG1 ILE A 48 -5.107 -3.095 7.267 1.00 0.00 C ATOM 209 CG2 ILE A 48 -5.667 -5.502 7.188 1.00 0.00 C ATOM 210 CD1 ILE A 48 -4.728 -2.031 6.273 1.00 0.00 C ATOM 0 H ILE A 48 -4.422 -5.285 9.314 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.748 -5.561 6.970 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.382 -4.476 5.813 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.192 -3.125 7.362 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.708 -2.828 8.246 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -6.588 -5.230 6.673 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.339 -6.485 6.851 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.846 -5.528 8.263 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.117 -1.068 6.604 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.642 -1.976 6.195 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.149 -2.277 5.298 1.00 0.00 H new ATOM 222 N GLY A 49 -2.436 -3.108 9.052 1.00 0.00 N ATOM 223 CA GLY A 49 -1.640 -1.945 9.374 1.00 0.00 C ATOM 224 C GLY A 49 -0.186 -2.296 9.501 1.00 0.00 C ATOM 225 O GLY A 49 0.653 -1.436 9.777 1.00 0.00 O ATOM 0 H GLY A 49 -2.975 -3.489 9.829 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.767 -1.189 8.599 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.993 -1.507 10.308 1.00 0.00 H new ATOM 229 N ASN A 50 0.114 -3.566 9.271 1.00 0.00 N ATOM 230 CA ASN A 50 1.467 -4.072 9.319 1.00 0.00 C ATOM 231 C ASN A 50 2.284 -3.479 8.176 1.00 0.00 C ATOM 232 O ASN A 50 3.509 -3.579 8.146 1.00 0.00 O ATOM 233 CB ASN A 50 1.421 -5.597 9.189 1.00 0.00 C ATOM 234 CG ASN A 50 2.377 -6.317 10.111 1.00 0.00 C ATOM 235 OD1 ASN A 50 3.431 -5.797 10.474 1.00 0.00 O ATOM 236 ND2 ASN A 50 2.010 -7.532 10.490 1.00 0.00 N ATOM 0 H ASN A 50 -0.584 -4.275 9.045 1.00 0.00 H new ATOM 0 HA ASN A 50 1.935 -3.792 10.263 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.407 -5.939 9.394 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.648 -5.871 8.159 1.00 0.00 H new ATOM 0 HD21 ASN A 50 2.611 -8.077 11.108 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.126 -7.923 10.164 1.00 0.00 H new ATOM 243 N LEU A 51 1.586 -2.846 7.235 1.00 0.00 N ATOM 244 CA LEU A 51 2.219 -2.230 6.074 1.00 0.00 C ATOM 245 C LEU A 51 3.199 -1.136 6.484 1.00 0.00 C ATOM 246 O LEU A 51 4.153 -0.854 5.773 1.00 0.00 O ATOM 247 CB LEU A 51 1.164 -1.652 5.124 1.00 0.00 C ATOM 248 CG LEU A 51 0.658 -2.617 4.046 1.00 0.00 C ATOM 249 CD1 LEU A 51 0.093 -3.872 4.669 1.00 0.00 C ATOM 250 CD2 LEU A 51 -0.392 -1.951 3.179 1.00 0.00 C ATOM 0 H LEU A 51 0.571 -2.747 7.257 1.00 0.00 H new ATOM 0 HA LEU A 51 2.776 -3.011 5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.313 -1.314 5.715 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.582 -0.772 4.634 1.00 0.00 H new ATOM 0 HG LEU A 51 1.507 -2.892 3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.260 -4.541 3.884 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.869 -4.371 5.250 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.739 -3.611 5.324 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.737 -2.654 2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.234 -1.644 3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.039 -1.076 2.693 1.00 0.00 H new ATOM 262 N LYS A 52 2.987 -0.546 7.646 1.00 0.00 N ATOM 263 CA LYS A 52 3.878 0.497 8.114 1.00 0.00 C ATOM 264 C LYS A 52 5.176 -0.125 8.603 1.00 0.00 C ATOM 265 O LYS A 52 6.212 0.521 8.637 1.00 0.00 O ATOM 266 CB LYS A 52 3.233 1.342 9.218 1.00 0.00 C ATOM 267 CG LYS A 52 2.129 2.265 8.716 1.00 0.00 C ATOM 268 CD LYS A 52 1.712 3.275 9.775 1.00 0.00 C ATOM 269 CE LYS A 52 1.224 2.583 11.032 1.00 0.00 C ATOM 270 NZ LYS A 52 0.857 3.542 12.109 1.00 0.00 N ATOM 0 H LYS A 52 2.216 -0.768 8.275 1.00 0.00 H new ATOM 0 HA LYS A 52 4.089 1.167 7.280 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.822 0.678 9.978 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.004 1.942 9.702 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.473 2.792 7.826 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.265 1.670 8.420 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.556 3.921 10.017 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.923 3.915 9.380 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.359 1.966 10.790 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.001 1.912 11.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.530 3.017 12.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.688 4.114 12.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.096 4.166 11.773 1.00 0.00 H new ATOM 284 N LYS A 53 5.100 -1.393 8.982 1.00 0.00 N ATOM 285 CA LYS A 53 6.264 -2.130 9.448 1.00 0.00 C ATOM 286 C LYS A 53 6.973 -2.838 8.293 1.00 0.00 C ATOM 287 O LYS A 53 8.202 -2.860 8.231 1.00 0.00 O ATOM 288 CB LYS A 53 5.845 -3.131 10.527 1.00 0.00 C ATOM 289 CG LYS A 53 5.239 -2.450 11.738 1.00 0.00 C ATOM 290 CD LYS A 53 4.690 -3.440 12.753 1.00 0.00 C ATOM 291 CE LYS A 53 5.781 -4.305 13.360 1.00 0.00 C ATOM 292 NZ LYS A 53 5.278 -5.088 14.518 1.00 0.00 N ATOM 0 H LYS A 53 4.236 -1.936 8.975 1.00 0.00 H new ATOM 0 HA LYS A 53 6.972 -1.422 9.878 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.124 -3.833 10.108 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.713 -3.713 10.836 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.995 -1.827 12.216 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.438 -1.786 11.414 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.176 -2.897 13.546 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.949 -4.078 12.271 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.171 -4.985 12.602 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.611 -3.674 13.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.049 -5.667 14.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.929 -4.438 15.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.503 -5.708 14.207 1.00 0.00 H new ATOM 306 N LEU A 54 6.194 -3.406 7.374 1.00 0.00 N ATOM 307 CA LEU A 54 6.752 -4.174 6.263 1.00 0.00 C ATOM 308 C LEU A 54 7.276 -3.275 5.148 1.00 0.00 C ATOM 309 O LEU A 54 8.220 -3.634 4.448 1.00 0.00 O ATOM 310 CB LEU A 54 5.713 -5.138 5.679 1.00 0.00 C ATOM 311 CG LEU A 54 5.607 -6.507 6.358 1.00 0.00 C ATOM 312 CD1 LEU A 54 5.035 -6.388 7.755 1.00 0.00 C ATOM 313 CD2 LEU A 54 4.752 -7.441 5.521 1.00 0.00 C ATOM 0 H LEU A 54 5.176 -3.349 7.377 1.00 0.00 H new ATOM 0 HA LEU A 54 7.587 -4.741 6.673 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.736 -4.657 5.723 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.944 -5.295 4.625 1.00 0.00 H new ATOM 0 HG LEU A 54 6.613 -6.919 6.441 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.973 -7.377 8.208 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.681 -5.751 8.360 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.038 -5.949 7.704 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.684 -8.411 6.013 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.753 -7.019 5.411 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.204 -7.565 4.537 1.00 0.00 H new ATOM 325 N LEU A 55 6.666 -2.115 4.971 1.00 0.00 N ATOM 326 CA LEU A 55 7.059 -1.226 3.886 1.00 0.00 C ATOM 327 C LEU A 55 8.148 -0.256 4.325 1.00 0.00 C ATOM 328 O LEU A 55 8.621 0.550 3.522 1.00 0.00 O ATOM 329 CB LEU A 55 5.850 -0.480 3.316 1.00 0.00 C ATOM 330 CG LEU A 55 4.969 -1.312 2.374 1.00 0.00 C ATOM 331 CD1 LEU A 55 5.827 -2.004 1.335 1.00 0.00 C ATOM 332 CD2 LEU A 55 4.146 -2.344 3.130 1.00 0.00 C ATOM 0 H LEU A 55 5.906 -1.768 5.556 1.00 0.00 H new ATOM 0 HA LEU A 55 7.474 -1.845 3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.237 -0.123 4.144 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.203 0.400 2.778 1.00 0.00 H new ATOM 0 HG LEU A 55 4.277 -0.627 1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.192 -2.592 0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.367 -1.257 0.753 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.540 -2.662 1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.537 -2.911 2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.813 -3.023 3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.497 -1.839 3.846 1.00 0.00 H new ATOM 344 N GLU A 56 8.547 -0.344 5.597 1.00 0.00 N ATOM 345 CA GLU A 56 9.707 0.402 6.098 1.00 0.00 C ATOM 346 C GLU A 56 10.918 0.241 5.165 1.00 0.00 C ATOM 347 O GLU A 56 11.399 1.227 4.606 1.00 0.00 O ATOM 348 CB GLU A 56 10.078 -0.046 7.521 1.00 0.00 C ATOM 349 CG GLU A 56 9.231 0.570 8.619 1.00 0.00 C ATOM 350 CD GLU A 56 9.580 2.020 8.879 1.00 0.00 C ATOM 351 OE1 GLU A 56 10.785 2.329 8.992 1.00 0.00 O ATOM 352 OE2 GLU A 56 8.656 2.856 8.983 1.00 0.00 O ATOM 0 H GLU A 56 8.085 -0.923 6.298 1.00 0.00 H new ATOM 0 HA GLU A 56 9.429 1.456 6.124 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.992 -1.131 7.580 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.123 0.202 7.705 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.178 0.497 8.345 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.362 -0.002 9.538 1.00 0.00 H new ATOM 359 N PRO A 57 11.407 -1.003 4.947 1.00 0.00 N ATOM 360 CA PRO A 57 12.577 -1.248 4.094 1.00 0.00 C ATOM 361 C PRO A 57 12.309 -0.912 2.635 1.00 0.00 C ATOM 362 O PRO A 57 13.207 -0.500 1.901 1.00 0.00 O ATOM 363 CB PRO A 57 12.819 -2.754 4.235 1.00 0.00 C ATOM 364 CG PRO A 57 11.504 -3.312 4.645 1.00 0.00 C ATOM 365 CD PRO A 57 10.871 -2.262 5.502 1.00 0.00 C ATOM 0 HA PRO A 57 13.424 -0.629 4.392 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.158 -3.190 3.295 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.587 -2.963 4.979 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.885 -3.535 3.776 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.628 -4.245 5.195 1.00 0.00 H new ATOM 0 HD2 PRO A 57 9.783 -2.297 5.443 1.00 0.00 H new ATOM 0 HD3 PRO A 57 11.138 -2.385 6.552 1.00 0.00 H new ATOM 373 N ARG A 58 11.056 -1.074 2.237 1.00 0.00 N ATOM 374 CA ARG A 58 10.668 -0.962 0.839 1.00 0.00 C ATOM 375 C ARG A 58 10.644 0.481 0.370 1.00 0.00 C ATOM 376 O ARG A 58 11.162 0.806 -0.698 1.00 0.00 O ATOM 377 CB ARG A 58 9.285 -1.566 0.649 1.00 0.00 C ATOM 378 CG ARG A 58 9.237 -3.069 0.860 1.00 0.00 C ATOM 379 CD ARG A 58 10.182 -3.808 -0.075 1.00 0.00 C ATOM 380 NE ARG A 58 10.187 -5.243 0.192 1.00 0.00 N ATOM 381 CZ ARG A 58 11.248 -6.028 0.020 1.00 0.00 C ATOM 382 NH1 ARG A 58 12.386 -5.520 -0.438 1.00 0.00 N ATOM 383 NH2 ARG A 58 11.167 -7.320 0.295 1.00 0.00 N ATOM 0 H ARG A 58 10.284 -1.285 2.869 1.00 0.00 H new ATOM 0 HA ARG A 58 11.409 -1.499 0.246 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.592 -1.089 1.342 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.935 -1.339 -0.358 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.497 -3.298 1.893 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.219 -3.425 0.701 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.885 -3.630 -1.109 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.191 -3.412 0.039 1.00 0.00 H new ATOM 0 HE ARG A 58 9.325 -5.670 0.531 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.448 -4.526 -0.659 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.198 -6.124 -0.569 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.291 -7.714 0.639 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.980 -7.921 0.163 1.00 0.00 H new ATOM 397 N LEU A 59 10.057 1.346 1.178 1.00 0.00 N ATOM 398 CA LEU A 59 9.886 2.735 0.792 1.00 0.00 C ATOM 399 C LEU A 59 11.034 3.584 1.304 1.00 0.00 C ATOM 400 O LEU A 59 11.222 4.718 0.865 1.00 0.00 O ATOM 401 CB LEU A 59 8.555 3.276 1.328 1.00 0.00 C ATOM 402 CG LEU A 59 7.308 2.573 0.792 1.00 0.00 C ATOM 403 CD1 LEU A 59 6.064 3.080 1.505 1.00 0.00 C ATOM 404 CD2 LEU A 59 7.184 2.784 -0.710 1.00 0.00 C ATOM 0 H LEU A 59 9.692 1.113 2.101 1.00 0.00 H new ATOM 0 HA LEU A 59 9.878 2.786 -0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.559 3.196 2.415 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.488 4.337 1.086 1.00 0.00 H new ATOM 0 HG LEU A 59 7.404 1.504 0.984 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.185 2.569 1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.151 2.882 2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.963 4.153 1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.291 2.277 -1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.109 3.850 -0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.063 2.376 -1.209 1.00 0.00 H new ATOM 416 N GLN A 60 11.806 3.010 2.236 1.00 0.00 N ATOM 417 CA GLN A 60 12.875 3.732 2.930 1.00 0.00 C ATOM 418 C GLN A 60 12.299 4.979 3.592 1.00 0.00 C ATOM 419 O GLN A 60 12.990 5.965 3.844 1.00 0.00 O ATOM 420 CB GLN A 60 14.006 4.082 1.960 1.00 0.00 C ATOM 421 CG GLN A 60 14.595 2.861 1.264 1.00 0.00 C ATOM 422 CD GLN A 60 15.740 3.199 0.330 1.00 0.00 C ATOM 423 OE1 GLN A 60 15.533 3.480 -0.853 1.00 0.00 O ATOM 424 NE2 GLN A 60 16.958 3.160 0.849 1.00 0.00 N ATOM 0 H GLN A 60 11.706 2.038 2.527 1.00 0.00 H new ATOM 0 HA GLN A 60 13.299 3.094 3.706 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.630 4.776 1.208 1.00 0.00 H new ATOM 0 HB3 GLN A 60 14.796 4.599 2.504 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.946 2.156 2.017 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.810 2.359 0.699 1.00 0.00 H new ATOM 0 HE21 GLN A 60 17.086 2.923 1.833 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.768 3.367 0.265 1.00 0.00 H new ATOM 433 N CYS A 61 11.012 4.883 3.880 1.00 0.00 N ATOM 434 CA CYS A 61 10.249 5.985 4.443 1.00 0.00 C ATOM 435 C CYS A 61 9.740 5.632 5.828 1.00 0.00 C ATOM 436 O CYS A 61 9.580 4.458 6.158 1.00 0.00 O ATOM 437 CB CYS A 61 9.075 6.340 3.526 1.00 0.00 C ATOM 438 SG CYS A 61 9.571 6.956 1.902 1.00 0.00 S ATOM 0 H CYS A 61 10.465 4.036 3.729 1.00 0.00 H new ATOM 0 HA CYS A 61 10.907 6.850 4.526 1.00 0.00 H new ATOM 0 HB2 CYS A 61 8.451 5.456 3.393 1.00 0.00 H new ATOM 0 HB3 CYS A 61 8.459 7.094 4.017 1.00 0.00 H new ATOM 0 HG CYS A 61 10.057 5.978 1.197 1.00 0.00 H new ATOM 444 N SER A 62 9.511 6.648 6.639 1.00 0.00 N ATOM 445 CA SER A 62 8.977 6.447 7.969 1.00 0.00 C ATOM 446 C SER A 62 7.465 6.313 7.898 1.00 0.00 C ATOM 447 O SER A 62 6.752 7.299 7.720 1.00 0.00 O ATOM 448 CB SER A 62 9.371 7.610 8.878 1.00 0.00 C ATOM 449 OG SER A 62 10.781 7.770 8.907 1.00 0.00 O ATOM 0 H SER A 62 9.688 7.623 6.397 1.00 0.00 H new ATOM 0 HA SER A 62 9.393 5.530 8.388 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.903 8.529 8.524 1.00 0.00 H new ATOM 0 HB3 SER A 62 9.000 7.431 9.887 1.00 0.00 H new ATOM 0 HG SER A 62 11.013 8.520 9.493 1.00 0.00 H new ATOM 455 N LEU A 63 6.987 5.091 8.036 1.00 0.00 N ATOM 456 CA LEU A 63 5.559 4.845 7.964 1.00 0.00 C ATOM 457 C LEU A 63 4.950 5.108 9.333 1.00 0.00 C ATOM 458 O LEU A 63 5.087 4.296 10.250 1.00 0.00 O ATOM 459 CB LEU A 63 5.224 3.423 7.500 1.00 0.00 C ATOM 460 CG LEU A 63 5.739 2.988 6.118 1.00 0.00 C ATOM 461 CD1 LEU A 63 5.630 4.095 5.085 1.00 0.00 C ATOM 462 CD2 LEU A 63 7.160 2.490 6.214 1.00 0.00 C ATOM 0 H LEU A 63 7.559 4.262 8.197 1.00 0.00 H new ATOM 0 HA LEU A 63 5.138 5.520 7.218 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.617 2.726 8.240 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.139 3.314 7.504 1.00 0.00 H new ATOM 0 HG LEU A 63 5.099 2.172 5.781 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.007 3.737 4.127 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.586 4.391 4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.219 4.954 5.408 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.507 2.187 5.226 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.800 3.286 6.595 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.202 1.637 6.891 1.00 0.00 H new ATOM 474 N ASP A 64 4.288 6.249 9.471 1.00 0.00 N ATOM 475 CA ASP A 64 3.785 6.688 10.765 1.00 0.00 C ATOM 476 C ASP A 64 2.476 7.456 10.621 1.00 0.00 C ATOM 477 O ASP A 64 1.404 6.915 10.890 1.00 0.00 O ATOM 478 CB ASP A 64 4.828 7.557 11.476 1.00 0.00 C ATOM 479 CG ASP A 64 4.331 8.097 12.803 1.00 0.00 C ATOM 480 OD1 ASP A 64 4.132 7.297 13.739 1.00 0.00 O ATOM 481 OD2 ASP A 64 4.130 9.325 12.915 1.00 0.00 O ATOM 0 H ASP A 64 4.087 6.888 8.702 1.00 0.00 H new ATOM 0 HA ASP A 64 3.592 5.799 11.365 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.732 6.971 11.642 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.103 8.390 10.829 1.00 0.00 H new ATOM 486 N ALA A 65 2.567 8.711 10.181 1.00 0.00 N ATOM 487 CA ALA A 65 1.400 9.588 10.073 1.00 0.00 C ATOM 488 C ALA A 65 0.383 9.080 9.056 1.00 0.00 C ATOM 489 O ALA A 65 -0.810 9.365 9.165 1.00 0.00 O ATOM 490 CB ALA A 65 1.843 11.000 9.710 1.00 0.00 C ATOM 0 H ALA A 65 3.443 9.146 9.892 1.00 0.00 H new ATOM 0 HA ALA A 65 0.907 9.594 11.045 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.969 11.647 9.631 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.509 11.382 10.483 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.368 10.982 8.755 1.00 0.00 H new ATOM 496 N HIS A 66 0.850 8.324 8.077 1.00 0.00 N ATOM 497 CA HIS A 66 -0.026 7.814 7.041 1.00 0.00 C ATOM 498 C HIS A 66 -0.660 6.497 7.438 1.00 0.00 C ATOM 499 O HIS A 66 0.018 5.502 7.696 1.00 0.00 O ATOM 500 CB HIS A 66 0.649 7.727 5.655 1.00 0.00 C ATOM 501 CG HIS A 66 2.138 7.500 5.619 1.00 0.00 C ATOM 502 ND1 HIS A 66 2.877 7.192 6.733 1.00 0.00 N ATOM 503 CD2 HIS A 66 2.973 7.616 4.559 1.00 0.00 C ATOM 504 CE1 HIS A 66 4.131 7.141 6.325 1.00 0.00 C ATOM 505 NE2 HIS A 66 4.242 7.392 5.017 1.00 0.00 N ATOM 0 H HIS A 66 1.828 8.051 7.979 1.00 0.00 H new ATOM 0 HA HIS A 66 -0.824 8.549 6.939 1.00 0.00 H new ATOM 0 HB2 HIS A 66 0.172 6.920 5.099 1.00 0.00 H new ATOM 0 HB3 HIS A 66 0.437 8.652 5.119 1.00 0.00 H new ATOM 0 HD2 HIS A 66 2.690 7.843 3.542 1.00 0.00 H new ATOM 0 HE1 HIS A 66 4.968 6.922 6.971 1.00 0.00 H new ATOM 0 HE2 HIS A 66 5.102 7.412 4.469 1.00 0.00 H new ATOM 513 N GLU A 67 -1.983 6.523 7.500 1.00 0.00 N ATOM 514 CA GLU A 67 -2.766 5.358 7.871 1.00 0.00 C ATOM 515 C GLU A 67 -2.962 4.460 6.662 1.00 0.00 C ATOM 516 O GLU A 67 -2.827 4.903 5.526 1.00 0.00 O ATOM 517 CB GLU A 67 -4.123 5.789 8.427 1.00 0.00 C ATOM 518 CG GLU A 67 -4.984 6.545 7.432 1.00 0.00 C ATOM 519 CD GLU A 67 -6.302 6.975 8.031 1.00 0.00 C ATOM 520 OE1 GLU A 67 -7.166 6.109 8.264 1.00 0.00 O ATOM 521 OE2 GLU A 67 -6.472 8.185 8.286 1.00 0.00 O ATOM 0 H GLU A 67 -2.541 7.352 7.295 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.230 4.805 8.643 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.665 4.905 8.763 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.963 6.416 9.304 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.443 7.423 7.079 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.170 5.915 6.562 1.00 0.00 H new ATOM 528 N ILE A 68 -3.290 3.206 6.903 1.00 0.00 N ATOM 529 CA ILE A 68 -3.436 2.254 5.817 1.00 0.00 C ATOM 530 C ILE A 68 -4.845 2.325 5.243 1.00 0.00 C ATOM 531 O ILE A 68 -5.797 2.655 5.951 1.00 0.00 O ATOM 532 CB ILE A 68 -3.146 0.813 6.260 1.00 0.00 C ATOM 533 CG1 ILE A 68 -2.196 0.777 7.461 1.00 0.00 C ATOM 534 CG2 ILE A 68 -2.547 0.040 5.097 1.00 0.00 C ATOM 535 CD1 ILE A 68 -0.780 1.209 7.150 1.00 0.00 C ATOM 0 H ILE A 68 -3.460 2.824 7.833 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.704 2.526 5.057 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.084 0.351 6.567 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.596 1.421 8.245 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.174 -0.237 7.861 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.340 -0.984 5.409 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.251 0.031 4.265 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.619 0.518 4.782 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.176 1.153 8.055 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.357 0.551 6.391 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.785 2.234 6.780 1.00 0.00 H new ATOM 547 N CYS A 69 -4.969 2.006 3.967 1.00 0.00 N ATOM 548 CA CYS A 69 -6.214 2.178 3.240 1.00 0.00 C ATOM 549 C CYS A 69 -6.290 1.197 2.082 1.00 0.00 C ATOM 550 O CYS A 69 -5.326 0.487 1.809 1.00 0.00 O ATOM 551 CB CYS A 69 -6.329 3.611 2.729 1.00 0.00 C ATOM 552 SG CYS A 69 -6.568 4.823 4.042 1.00 0.00 S ATOM 0 H CYS A 69 -4.210 1.620 3.406 1.00 0.00 H new ATOM 0 HA CYS A 69 -7.045 1.979 3.917 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.427 3.863 2.172 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -7.163 3.674 2.031 1.00 0.00 H new ATOM 0 HG CYS A 69 -7.671 5.478 3.832 1.00 0.00 H new ATOM 558 N LEU A 70 -7.439 1.128 1.433 1.00 0.00 N ATOM 559 CA LEU A 70 -7.626 0.228 0.316 1.00 0.00 C ATOM 560 C LEU A 70 -8.489 0.879 -0.748 1.00 0.00 C ATOM 561 O LEU A 70 -9.681 1.064 -0.544 1.00 0.00 O ATOM 562 CB LEU A 70 -8.292 -1.045 0.810 1.00 0.00 C ATOM 563 CG LEU A 70 -7.878 -2.297 0.072 1.00 0.00 C ATOM 564 CD1 LEU A 70 -8.098 -3.503 0.954 1.00 0.00 C ATOM 565 CD2 LEU A 70 -8.654 -2.447 -1.226 1.00 0.00 C ATOM 0 H LEU A 70 -8.259 1.689 1.664 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.656 -0.008 -0.121 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.065 -1.171 1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.373 -0.930 0.727 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.820 -2.219 -0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.799 -4.404 0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.502 -3.404 1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.153 -3.572 1.219 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.336 -3.356 -1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.720 -2.507 -1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.463 -1.586 -1.866 1.00 0.00 H new ATOM 577 N GLN A 71 -7.880 1.231 -1.879 1.00 0.00 N ATOM 578 CA GLN A 71 -8.588 1.933 -2.949 1.00 0.00 C ATOM 579 C GLN A 71 -9.238 3.194 -2.395 1.00 0.00 C ATOM 580 O GLN A 71 -10.285 3.640 -2.858 1.00 0.00 O ATOM 581 CB GLN A 71 -9.606 0.998 -3.607 1.00 0.00 C ATOM 582 CG GLN A 71 -8.940 -0.128 -4.385 1.00 0.00 C ATOM 583 CD GLN A 71 -9.756 -1.406 -4.414 1.00 0.00 C ATOM 584 OE1 GLN A 71 -10.986 -1.380 -4.382 1.00 0.00 O ATOM 585 NE2 GLN A 71 -9.067 -2.537 -4.482 1.00 0.00 N ATOM 0 H GLN A 71 -6.898 1.042 -2.078 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.882 2.238 -3.722 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.254 0.573 -2.840 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.243 1.573 -4.279 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.762 0.203 -5.408 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.966 -0.338 -3.943 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.048 -2.512 -4.506 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.556 -3.431 -4.510 1.00 0.00 H new ATOM 594 N ASP A 72 -8.578 3.729 -1.369 1.00 0.00 N ATOM 595 CA ASP A 72 -8.957 4.968 -0.692 1.00 0.00 C ATOM 596 C ASP A 72 -10.102 4.745 0.301 1.00 0.00 C ATOM 597 O ASP A 72 -10.645 5.692 0.863 1.00 0.00 O ATOM 598 CB ASP A 72 -9.268 6.108 -1.675 1.00 0.00 C ATOM 599 CG ASP A 72 -9.363 7.449 -0.974 1.00 0.00 C ATOM 600 OD1 ASP A 72 -8.765 7.596 0.112 1.00 0.00 O ATOM 601 OD2 ASP A 72 -10.028 8.365 -1.504 1.00 0.00 O ATOM 0 H ASP A 72 -7.741 3.300 -0.975 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.086 5.285 -0.119 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.491 6.152 -2.438 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.207 5.899 -2.188 1.00 0.00 H new ATOM 606 N ILE A 73 -10.485 3.492 0.525 1.00 0.00 N ATOM 607 CA ILE A 73 -11.231 3.151 1.726 1.00 0.00 C ATOM 608 C ILE A 73 -10.242 3.145 2.870 1.00 0.00 C ATOM 609 O ILE A 73 -9.170 2.569 2.737 1.00 0.00 O ATOM 610 CB ILE A 73 -11.863 1.744 1.660 1.00 0.00 C ATOM 611 CG1 ILE A 73 -12.543 1.492 0.318 1.00 0.00 C ATOM 612 CG2 ILE A 73 -12.865 1.565 2.793 1.00 0.00 C ATOM 613 CD1 ILE A 73 -12.786 0.020 0.056 1.00 0.00 C ATOM 0 H ILE A 73 -10.294 2.709 -0.100 1.00 0.00 H new ATOM 0 HA ILE A 73 -12.037 3.875 1.845 1.00 0.00 H new ATOM 0 HB ILE A 73 -11.059 1.016 1.768 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -13.494 2.024 0.291 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -11.925 1.902 -0.481 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -13.304 0.569 2.736 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -12.357 1.684 3.750 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -13.652 2.314 2.705 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -13.272 -0.102 -0.912 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.834 -0.511 0.054 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -13.427 -0.388 0.838 1.00 0.00 H new ATOM 625 N GLN A 74 -10.561 3.764 3.978 1.00 0.00 N ATOM 626 CA GLN A 74 -9.595 3.830 5.056 1.00 0.00 C ATOM 627 C GLN A 74 -9.745 2.589 5.933 1.00 0.00 C ATOM 628 O GLN A 74 -10.850 2.228 6.342 1.00 0.00 O ATOM 629 CB GLN A 74 -9.708 5.132 5.876 1.00 0.00 C ATOM 630 CG GLN A 74 -10.653 6.188 5.297 1.00 0.00 C ATOM 631 CD GLN A 74 -10.111 6.929 4.074 1.00 0.00 C ATOM 632 OE1 GLN A 74 -9.233 6.301 3.308 1.00 0.00 O flip ATOM 633 NE2 GLN A 74 -10.477 8.076 3.828 1.00 0.00 N flip ATOM 0 H GLN A 74 -11.455 4.219 4.160 1.00 0.00 H new ATOM 0 HA GLN A 74 -8.594 3.847 4.624 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.043 4.881 6.882 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -8.714 5.570 5.971 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.592 5.706 5.026 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -10.882 6.917 6.075 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -11.155 8.536 4.435 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -10.103 8.568 3.016 1.00 0.00 H new ATOM 642 N LEU A 75 -8.623 1.942 6.201 1.00 0.00 N ATOM 643 CA LEU A 75 -8.609 0.638 6.854 1.00 0.00 C ATOM 644 C LEU A 75 -8.175 0.781 8.302 1.00 0.00 C ATOM 645 O LEU A 75 -7.725 1.847 8.714 1.00 0.00 O ATOM 646 CB LEU A 75 -7.659 -0.307 6.108 1.00 0.00 C ATOM 647 CG LEU A 75 -8.136 -0.753 4.720 1.00 0.00 C ATOM 648 CD1 LEU A 75 -6.999 -1.342 3.904 1.00 0.00 C ATOM 649 CD2 LEU A 75 -9.237 -1.782 4.849 1.00 0.00 C ATOM 0 H LEU A 75 -7.696 2.303 5.974 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.615 0.220 6.832 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.693 0.186 6.001 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.499 -1.194 6.721 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.513 0.131 4.205 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.373 -1.647 2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.217 -0.593 3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.590 -2.209 4.423 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.566 -2.089 3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.862 -2.650 5.392 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.077 -1.349 5.392 1.00 0.00 H new ATOM 661 N ASP A 76 -8.287 -0.295 9.070 1.00 0.00 N ATOM 662 CA ASP A 76 -7.907 -0.267 10.467 1.00 0.00 C ATOM 663 C ASP A 76 -6.704 -1.164 10.672 1.00 0.00 C ATOM 664 O ASP A 76 -6.820 -2.386 10.608 1.00 0.00 O ATOM 665 CB ASP A 76 -9.050 -0.722 11.379 1.00 0.00 C ATOM 666 CG ASP A 76 -10.158 0.304 11.495 1.00 0.00 C ATOM 667 OD1 ASP A 76 -9.902 1.402 12.028 1.00 0.00 O ATOM 668 OD2 ASP A 76 -11.294 0.013 11.063 1.00 0.00 O ATOM 0 H ASP A 76 -8.638 -1.196 8.745 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.664 0.762 10.732 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.464 -1.654 10.996 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -8.653 -0.934 12.372 1.00 0.00 H new ATOM 673 N PRO A 77 -5.529 -0.559 10.877 1.00 0.00 N ATOM 674 CA PRO A 77 -4.287 -1.282 11.178 1.00 0.00 C ATOM 675 C PRO A 77 -4.456 -2.291 12.311 1.00 0.00 C ATOM 676 O PRO A 77 -3.730 -3.282 12.388 1.00 0.00 O ATOM 677 CB PRO A 77 -3.333 -0.162 11.596 1.00 0.00 C ATOM 678 CG PRO A 77 -3.832 1.049 10.886 1.00 0.00 C ATOM 679 CD PRO A 77 -5.324 0.896 10.803 1.00 0.00 C ATOM 0 HA PRO A 77 -3.939 -1.872 10.330 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.341 -0.018 12.676 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.306 -0.391 11.313 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.562 1.957 11.426 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.392 1.127 9.892 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.826 1.413 11.621 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.718 1.309 9.875 1.00 0.00 H new ATOM 687 N ASP A 78 -5.425 -2.025 13.173 1.00 0.00 N ATOM 688 CA ASP A 78 -5.739 -2.887 14.305 1.00 0.00 C ATOM 689 C ASP A 78 -6.423 -4.176 13.857 1.00 0.00 C ATOM 690 O ASP A 78 -6.486 -5.150 14.605 1.00 0.00 O ATOM 691 CB ASP A 78 -6.665 -2.143 15.262 1.00 0.00 C ATOM 692 CG ASP A 78 -6.011 -0.932 15.893 1.00 0.00 C ATOM 693 OD1 ASP A 78 -5.883 0.100 15.207 1.00 0.00 O ATOM 694 OD2 ASP A 78 -5.626 -1.000 17.080 1.00 0.00 O ATOM 0 H ASP A 78 -6.021 -1.200 13.107 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.803 -3.149 14.799 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.559 -1.828 14.723 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.991 -2.825 16.048 1.00 0.00 H new ATOM 699 N ARG A 79 -6.933 -4.179 12.636 1.00 0.00 N ATOM 700 CA ARG A 79 -7.717 -5.295 12.129 1.00 0.00 C ATOM 701 C ARG A 79 -7.071 -5.884 10.880 1.00 0.00 C ATOM 702 O ARG A 79 -6.192 -5.265 10.277 1.00 0.00 O ATOM 703 CB ARG A 79 -9.135 -4.822 11.813 1.00 0.00 C ATOM 704 CG ARG A 79 -9.947 -4.455 13.045 1.00 0.00 C ATOM 705 CD ARG A 79 -11.326 -3.940 12.670 1.00 0.00 C ATOM 706 NE ARG A 79 -12.151 -3.660 13.843 1.00 0.00 N ATOM 707 CZ ARG A 79 -13.070 -2.699 13.894 1.00 0.00 C ATOM 708 NH1 ARG A 79 -13.246 -1.882 12.858 1.00 0.00 N ATOM 709 NH2 ARG A 79 -13.807 -2.552 14.987 1.00 0.00 N ATOM 0 H ARG A 79 -6.817 -3.414 11.972 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.756 -6.072 12.892 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.081 -3.956 11.153 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -9.657 -5.607 11.266 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -10.047 -5.328 13.690 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -9.417 -3.694 13.618 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.223 -3.032 12.076 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.828 -4.676 12.043 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.014 -4.236 14.673 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.675 -1.991 12.020 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -13.952 -1.147 12.902 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -13.668 -3.174 15.783 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -14.513 -1.817 15.031 1.00 0.00 H new ATOM 723 N SER A 80 -7.503 -7.083 10.504 1.00 0.00 N ATOM 724 CA SER A 80 -6.934 -7.801 9.370 1.00 0.00 C ATOM 725 C SER A 80 -7.781 -7.638 8.096 1.00 0.00 C ATOM 726 O SER A 80 -8.818 -6.995 8.133 1.00 0.00 O ATOM 727 CB SER A 80 -6.863 -9.272 9.751 1.00 0.00 C ATOM 728 OG SER A 80 -6.394 -9.428 11.084 1.00 0.00 O ATOM 0 H SER A 80 -8.256 -7.583 10.976 1.00 0.00 H new ATOM 0 HA SER A 80 -5.947 -7.394 9.149 1.00 0.00 H new ATOM 0 HB2 SER A 80 -7.849 -9.725 9.653 1.00 0.00 H new ATOM 0 HB3 SER A 80 -6.200 -9.798 9.064 1.00 0.00 H new ATOM 0 HG SER A 80 -6.268 -10.381 11.277 1.00 0.00 H new ATOM 734 N LEU A 81 -7.318 -8.195 6.967 1.00 0.00 N ATOM 735 CA LEU A 81 -8.134 -8.254 5.739 1.00 0.00 C ATOM 736 C LEU A 81 -9.420 -9.042 5.986 1.00 0.00 C ATOM 737 O LEU A 81 -10.475 -8.707 5.455 1.00 0.00 O ATOM 738 CB LEU A 81 -7.361 -8.873 4.561 1.00 0.00 C ATOM 739 CG LEU A 81 -6.574 -7.904 3.665 1.00 0.00 C ATOM 740 CD1 LEU A 81 -5.419 -7.269 4.407 1.00 0.00 C ATOM 741 CD2 LEU A 81 -6.057 -8.620 2.428 1.00 0.00 C ATOM 0 H LEU A 81 -6.390 -8.609 6.876 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.384 -7.227 5.472 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.663 -9.609 4.961 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.071 -9.414 3.935 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.260 -7.113 3.364 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.887 -6.591 3.740 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.799 -6.712 5.263 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.738 -8.046 4.753 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.502 -7.917 1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.400 -9.436 2.728 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.898 -9.021 1.862 1.00 0.00 H new ATOM 753 N PHE A 82 -9.328 -10.080 6.809 1.00 0.00 N ATOM 754 CA PHE A 82 -10.521 -10.769 7.303 1.00 0.00 C ATOM 755 C PHE A 82 -11.444 -9.836 8.087 1.00 0.00 C ATOM 756 O PHE A 82 -12.594 -10.162 8.361 1.00 0.00 O ATOM 757 CB PHE A 82 -10.170 -11.991 8.158 1.00 0.00 C ATOM 758 CG PHE A 82 -10.090 -13.288 7.411 1.00 0.00 C ATOM 759 CD1 PHE A 82 -9.572 -13.365 6.140 1.00 0.00 C ATOM 760 CD2 PHE A 82 -10.590 -14.438 8.000 1.00 0.00 C ATOM 761 CE1 PHE A 82 -9.547 -14.574 5.464 1.00 0.00 C ATOM 762 CE2 PHE A 82 -10.564 -15.647 7.335 1.00 0.00 C ATOM 763 CZ PHE A 82 -10.044 -15.715 6.062 1.00 0.00 C ATOM 0 H PHE A 82 -8.446 -10.464 7.149 1.00 0.00 H new ATOM 0 HA PHE A 82 -11.054 -11.112 6.416 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -9.212 -11.811 8.646 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -10.916 -12.089 8.947 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.182 -12.477 5.665 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -11.007 -14.388 8.995 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -9.137 -14.624 4.466 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -10.950 -16.536 7.811 1.00 0.00 H new ATOM 0 HZ PHE A 82 -10.025 -16.657 5.533 1.00 0.00 H new ATOM 773 N ASP A 83 -10.922 -8.705 8.492 1.00 0.00 N ATOM 774 CA ASP A 83 -11.736 -7.689 9.134 1.00 0.00 C ATOM 775 C ASP A 83 -12.042 -6.562 8.160 1.00 0.00 C ATOM 776 O ASP A 83 -12.957 -5.768 8.378 1.00 0.00 O ATOM 777 CB ASP A 83 -11.025 -7.142 10.365 1.00 0.00 C ATOM 778 CG ASP A 83 -10.928 -8.147 11.490 1.00 0.00 C ATOM 779 OD1 ASP A 83 -11.948 -8.381 12.172 1.00 0.00 O ATOM 780 OD2 ASP A 83 -9.832 -8.709 11.701 1.00 0.00 O ATOM 0 H ASP A 83 -9.937 -8.460 8.391 1.00 0.00 H new ATOM 0 HA ASP A 83 -12.676 -8.144 9.446 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.022 -6.821 10.085 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.555 -6.258 10.720 1.00 0.00 H new ATOM 785 N GLN A 84 -11.278 -6.513 7.077 1.00 0.00 N ATOM 786 CA GLN A 84 -11.373 -5.429 6.113 1.00 0.00 C ATOM 787 C GLN A 84 -11.167 -5.927 4.690 1.00 0.00 C ATOM 788 O GLN A 84 -10.031 -6.025 4.224 1.00 0.00 O ATOM 789 CB GLN A 84 -10.323 -4.359 6.394 1.00 0.00 C ATOM 790 CG GLN A 84 -10.712 -3.325 7.438 1.00 0.00 C ATOM 791 CD GLN A 84 -10.069 -3.558 8.782 1.00 0.00 C ATOM 792 OE1 GLN A 84 -10.642 -3.215 9.810 1.00 0.00 O ATOM 793 NE2 GLN A 84 -8.869 -4.120 8.788 1.00 0.00 N ATOM 0 H GLN A 84 -10.580 -7.219 6.844 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.375 -5.011 6.212 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -9.405 -4.850 6.717 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -10.096 -3.842 5.462 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.435 -2.334 7.078 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.796 -3.329 7.556 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -8.428 -4.390 7.909 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.386 -4.282 9.672 1.00 0.00 H new ATOM 802 N GLY A 85 -12.244 -6.251 4.001 1.00 0.00 N ATOM 803 CA GLY A 85 -12.125 -6.533 2.590 1.00 0.00 C ATOM 804 C GLY A 85 -12.303 -7.991 2.231 1.00 0.00 C ATOM 805 O GLY A 85 -13.423 -8.440 1.995 1.00 0.00 O ATOM 0 H GLY A 85 -13.186 -6.324 4.385 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -12.867 -5.944 2.050 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -11.144 -6.203 2.247 1.00 0.00 H new ATOM 809 N VAL A 86 -11.210 -8.743 2.195 1.00 0.00 N ATOM 810 CA VAL A 86 -11.238 -10.076 1.614 1.00 0.00 C ATOM 811 C VAL A 86 -11.325 -11.160 2.673 1.00 0.00 C ATOM 812 O VAL A 86 -10.785 -11.027 3.774 1.00 0.00 O ATOM 813 CB VAL A 86 -9.989 -10.343 0.745 1.00 0.00 C ATOM 814 CG1 VAL A 86 -9.841 -9.278 -0.330 1.00 0.00 C ATOM 815 CG2 VAL A 86 -8.726 -10.434 1.591 1.00 0.00 C ATOM 0 H VAL A 86 -10.302 -8.455 2.558 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.133 -10.110 0.993 1.00 0.00 H new ATOM 0 HB VAL A 86 -10.129 -11.308 0.258 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.955 -9.487 -0.929 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -10.722 -9.283 -0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -9.740 -8.299 0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.868 -10.622 0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.578 -9.496 2.126 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.826 -11.249 2.308 1.00 0.00 H new ATOM 825 N LYS A 87 -12.002 -12.239 2.331 1.00 0.00 N ATOM 826 CA LYS A 87 -12.046 -13.408 3.188 1.00 0.00 C ATOM 827 C LYS A 87 -11.577 -14.601 2.393 1.00 0.00 C ATOM 828 O LYS A 87 -12.373 -15.427 1.951 1.00 0.00 O ATOM 829 CB LYS A 87 -13.455 -13.652 3.719 1.00 0.00 C ATOM 830 CG LYS A 87 -14.096 -12.408 4.291 1.00 0.00 C ATOM 831 CD LYS A 87 -13.340 -11.861 5.494 1.00 0.00 C ATOM 832 CE LYS A 87 -13.785 -10.435 5.769 1.00 0.00 C ATOM 833 NZ LYS A 87 -15.191 -10.388 6.247 1.00 0.00 N ATOM 0 H LYS A 87 -12.530 -12.330 1.463 1.00 0.00 H new ATOM 0 HA LYS A 87 -11.396 -13.246 4.048 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.079 -14.037 2.913 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.418 -14.422 4.490 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.146 -11.641 3.518 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.122 -12.633 4.583 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.526 -12.486 6.368 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.267 -11.888 5.305 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.130 -9.986 6.516 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.688 -9.840 4.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.442 -9.409 6.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -15.824 -10.732 5.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.292 -10.990 7.089 1.00 0.00 H new ATOM 847 N THR A 88 -10.280 -14.673 2.195 1.00 0.00 N ATOM 848 CA THR A 88 -9.706 -15.723 1.394 1.00 0.00 C ATOM 849 C THR A 88 -8.780 -16.593 2.237 1.00 0.00 C ATOM 850 O THR A 88 -9.257 -17.329 3.102 1.00 0.00 O ATOM 851 CB THR A 88 -9.000 -15.142 0.146 1.00 0.00 C ATOM 852 OG1 THR A 88 -8.291 -16.158 -0.567 1.00 0.00 O ATOM 853 CG2 THR A 88 -8.056 -13.993 0.503 1.00 0.00 C ATOM 0 H THR A 88 -9.604 -14.014 2.580 1.00 0.00 H new ATOM 0 HA THR A 88 -10.507 -16.366 1.030 1.00 0.00 H new ATOM 0 HB THR A 88 -9.783 -14.743 -0.499 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.269 -15.934 -1.521 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.582 -13.616 -0.404 1.00 0.00 H new ATOM 0 HG22 THR A 88 -8.622 -13.191 0.977 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.290 -14.352 1.190 1.00 0.00 H new ATOM 861 N ASP A 89 -7.474 -16.496 2.028 1.00 0.00 N ATOM 862 CA ASP A 89 -6.543 -17.299 2.793 1.00 0.00 C ATOM 863 C ASP A 89 -5.102 -16.857 2.600 1.00 0.00 C ATOM 864 O ASP A 89 -4.662 -16.566 1.487 1.00 0.00 O ATOM 865 CB ASP A 89 -6.689 -18.777 2.405 1.00 0.00 C ATOM 866 CG ASP A 89 -5.586 -19.650 2.965 1.00 0.00 C ATOM 867 OD1 ASP A 89 -5.687 -20.068 4.136 1.00 0.00 O ATOM 868 OD2 ASP A 89 -4.614 -19.925 2.234 1.00 0.00 O ATOM 0 H ASP A 89 -7.043 -15.876 1.342 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.787 -17.163 3.847 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.651 -19.146 2.759 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.695 -18.862 1.318 1.00 0.00 H new ATOM 873 N GLY A 90 -4.393 -16.786 3.714 1.00 0.00 N ATOM 874 CA GLY A 90 -2.957 -16.627 3.690 1.00 0.00 C ATOM 875 C GLY A 90 -2.507 -15.207 3.449 1.00 0.00 C ATOM 876 O GLY A 90 -3.008 -14.266 4.069 1.00 0.00 O ATOM 0 H GLY A 90 -4.796 -16.837 4.650 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -2.546 -16.973 4.639 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.543 -17.267 2.911 1.00 0.00 H new ATOM 880 N THR A 91 -1.546 -15.071 2.558 1.00 0.00 N ATOM 881 CA THR A 91 -0.924 -13.797 2.256 1.00 0.00 C ATOM 882 C THR A 91 -1.308 -13.308 0.859 1.00 0.00 C ATOM 883 O THR A 91 -1.097 -14.011 -0.129 1.00 0.00 O ATOM 884 CB THR A 91 0.609 -13.945 2.359 1.00 0.00 C ATOM 885 OG1 THR A 91 0.970 -14.306 3.702 1.00 0.00 O ATOM 886 CG2 THR A 91 1.337 -12.670 1.951 1.00 0.00 C ATOM 0 H THR A 91 -1.171 -15.850 2.017 1.00 0.00 H new ATOM 0 HA THR A 91 -1.277 -13.059 2.976 1.00 0.00 H new ATOM 0 HB THR A 91 0.913 -14.730 1.667 1.00 0.00 H new ATOM 0 HG1 THR A 91 1.943 -14.401 3.765 1.00 0.00 H new ATOM 0 HG21 THR A 91 2.413 -12.821 2.039 1.00 0.00 H new ATOM 0 HG22 THR A 91 1.089 -12.424 0.919 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.031 -11.852 2.603 1.00 0.00 H new ATOM 894 N VAL A 92 -1.873 -12.109 0.775 1.00 0.00 N ATOM 895 CA VAL A 92 -2.191 -11.514 -0.520 1.00 0.00 C ATOM 896 C VAL A 92 -1.102 -10.534 -0.919 1.00 0.00 C ATOM 897 O VAL A 92 -0.319 -10.095 -0.079 1.00 0.00 O ATOM 898 CB VAL A 92 -3.545 -10.774 -0.531 1.00 0.00 C ATOM 899 CG1 VAL A 92 -4.665 -11.701 -0.116 1.00 0.00 C ATOM 900 CG2 VAL A 92 -3.512 -9.537 0.344 1.00 0.00 C ATOM 0 H VAL A 92 -2.119 -11.533 1.580 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.257 -12.339 -1.229 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.734 -10.445 -1.553 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.610 -11.159 -0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.718 -12.541 -0.809 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.475 -12.073 0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.483 -9.042 0.311 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.285 -9.824 1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.744 -8.854 -0.020 1.00 0.00 H new ATOM 910 N GLN A 93 -1.067 -10.189 -2.190 1.00 0.00 N ATOM 911 CA GLN A 93 -0.091 -9.247 -2.690 1.00 0.00 C ATOM 912 C GLN A 93 -0.761 -7.883 -2.838 1.00 0.00 C ATOM 913 O GLN A 93 -1.731 -7.737 -3.579 1.00 0.00 O ATOM 914 CB GLN A 93 0.478 -9.753 -4.020 1.00 0.00 C ATOM 915 CG GLN A 93 1.854 -9.202 -4.376 1.00 0.00 C ATOM 916 CD GLN A 93 1.812 -7.799 -4.944 1.00 0.00 C ATOM 917 OE1 GLN A 93 1.663 -7.608 -6.148 1.00 0.00 O ATOM 918 NE2 GLN A 93 1.980 -6.810 -4.084 1.00 0.00 N ATOM 0 H GLN A 93 -1.707 -10.550 -2.897 1.00 0.00 H new ATOM 0 HA GLN A 93 0.743 -9.148 -1.995 1.00 0.00 H new ATOM 0 HB2 GLN A 93 0.536 -10.841 -3.984 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.218 -9.497 -4.818 1.00 0.00 H new ATOM 0 HG2 GLN A 93 2.481 -9.206 -3.484 1.00 0.00 H new ATOM 0 HG3 GLN A 93 2.326 -9.865 -5.101 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.100 -7.012 -3.091 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.989 -5.844 -4.413 1.00 0.00 H new ATOM 927 N LEU A 94 -0.244 -6.909 -2.105 1.00 0.00 N ATOM 928 CA LEU A 94 -0.849 -5.584 -2.037 1.00 0.00 C ATOM 929 C LEU A 94 -0.118 -4.600 -2.932 1.00 0.00 C ATOM 930 O LEU A 94 1.065 -4.322 -2.721 1.00 0.00 O ATOM 931 CB LEU A 94 -0.832 -5.024 -0.607 1.00 0.00 C ATOM 932 CG LEU A 94 -1.576 -5.826 0.467 1.00 0.00 C ATOM 933 CD1 LEU A 94 -2.904 -6.348 -0.040 1.00 0.00 C ATOM 934 CD2 LEU A 94 -0.718 -6.955 1.009 1.00 0.00 C ATOM 0 H LEU A 94 0.601 -7.011 -1.543 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.880 -5.702 -2.372 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.208 -4.925 -0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.255 -4.020 -0.632 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.786 -5.141 1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.400 -6.911 0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.534 -5.510 -0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.735 -6.999 -0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.276 -7.503 1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.450 -7.631 0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.189 -6.543 1.452 1.00 0.00 H new ATOM 946 N SER A 95 -0.808 -4.079 -3.931 1.00 0.00 N ATOM 947 CA SER A 95 -0.296 -2.932 -4.657 1.00 0.00 C ATOM 948 C SER A 95 -0.748 -1.665 -3.935 1.00 0.00 C ATOM 949 O SER A 95 -1.682 -0.977 -4.347 1.00 0.00 O ATOM 950 CB SER A 95 -0.768 -2.958 -6.112 1.00 0.00 C ATOM 951 OG SER A 95 -0.231 -4.085 -6.792 1.00 0.00 O ATOM 0 H SER A 95 -1.711 -4.426 -4.254 1.00 0.00 H new ATOM 0 HA SER A 95 0.793 -2.957 -4.682 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.857 -2.991 -6.146 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.461 -2.042 -6.616 1.00 0.00 H new ATOM 0 HG SER A 95 -0.949 -4.552 -7.269 1.00 0.00 H new ATOM 957 N VAL A 96 -0.085 -1.415 -2.819 1.00 0.00 N ATOM 958 CA VAL A 96 -0.403 -0.297 -1.943 1.00 0.00 C ATOM 959 C VAL A 96 0.393 0.965 -2.310 1.00 0.00 C ATOM 960 O VAL A 96 1.612 0.930 -2.502 1.00 0.00 O ATOM 961 CB VAL A 96 -0.195 -0.707 -0.461 1.00 0.00 C ATOM 962 CG1 VAL A 96 1.132 -1.434 -0.279 1.00 0.00 C ATOM 963 CG2 VAL A 96 -0.293 0.493 0.468 1.00 0.00 C ATOM 0 H VAL A 96 0.695 -1.985 -2.492 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.454 -0.042 -2.081 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.997 -1.395 -0.193 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.255 -1.711 0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.142 -2.333 -0.896 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.950 -0.779 -0.579 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.142 0.169 1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.472 1.223 0.202 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.279 0.948 0.371 1.00 0.00 H new ATOM 973 N GLN A 97 -0.343 2.063 -2.445 1.00 0.00 N ATOM 974 CA GLN A 97 0.206 3.369 -2.785 1.00 0.00 C ATOM 975 C GLN A 97 0.412 4.207 -1.540 1.00 0.00 C ATOM 976 O GLN A 97 -0.313 4.061 -0.560 1.00 0.00 O ATOM 977 CB GLN A 97 -0.760 4.135 -3.688 1.00 0.00 C ATOM 978 CG GLN A 97 -0.816 3.656 -5.122 1.00 0.00 C ATOM 979 CD GLN A 97 -1.860 4.402 -5.932 1.00 0.00 C ATOM 980 OE1 GLN A 97 -2.215 5.597 -5.486 1.00 0.00 O flip ATOM 981 NE2 GLN A 97 -2.374 3.892 -6.927 1.00 0.00 N flip ATOM 0 H GLN A 97 -1.355 2.070 -2.319 1.00 0.00 H new ATOM 0 HA GLN A 97 1.156 3.197 -3.290 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.761 4.071 -3.261 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -0.479 5.188 -3.684 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.162 3.785 -5.585 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -1.039 2.589 -5.139 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -2.073 2.969 -7.240 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -3.101 4.392 -7.439 1.00 0.00 H new ATOM 990 N VAL A 98 1.400 5.084 -1.577 1.00 0.00 N ATOM 991 CA VAL A 98 1.520 6.102 -0.570 1.00 0.00 C ATOM 992 C VAL A 98 0.840 7.375 -1.080 1.00 0.00 C ATOM 993 O VAL A 98 1.185 7.922 -2.135 1.00 0.00 O ATOM 994 CB VAL A 98 2.999 6.339 -0.155 1.00 0.00 C ATOM 995 CG1 VAL A 98 3.863 5.137 -0.499 1.00 0.00 C ATOM 996 CG2 VAL A 98 3.587 7.608 -0.745 1.00 0.00 C ATOM 0 H VAL A 98 2.125 5.105 -2.295 1.00 0.00 H new ATOM 0 HA VAL A 98 1.017 5.775 0.340 1.00 0.00 H new ATOM 0 HB VAL A 98 2.994 6.471 0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.892 5.331 -0.198 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.490 4.258 0.027 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.827 4.959 -1.574 1.00 0.00 H new ATOM 0 HG21 VAL A 98 4.621 7.716 -0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.555 7.552 -1.833 1.00 0.00 H new ATOM 0 HG23 VAL A 98 3.008 8.468 -0.408 1.00 0.00 H new ATOM 1006 N ILE A 99 -0.195 7.784 -0.374 1.00 0.00 N ATOM 1007 CA ILE A 99 -0.990 8.923 -0.788 1.00 0.00 C ATOM 1008 C ILE A 99 -0.836 10.113 0.138 1.00 0.00 C ATOM 1009 O ILE A 99 -1.315 10.098 1.270 1.00 0.00 O ATOM 1010 CB ILE A 99 -2.500 8.590 -0.861 1.00 0.00 C ATOM 1011 CG1 ILE A 99 -2.791 7.599 -1.985 1.00 0.00 C ATOM 1012 CG2 ILE A 99 -3.314 9.859 -1.057 1.00 0.00 C ATOM 1013 CD1 ILE A 99 -4.271 7.355 -2.197 1.00 0.00 C ATOM 0 H ILE A 99 -0.506 7.343 0.492 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.611 9.175 -1.778 1.00 0.00 H new ATOM 0 HB ILE A 99 -2.788 8.128 0.083 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -2.354 7.972 -2.912 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.302 6.651 -1.761 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -4.373 9.608 -1.106 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -3.140 10.536 -0.220 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -3.013 10.345 -1.985 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.409 6.642 -3.009 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.708 6.953 -1.283 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -4.762 8.294 -2.451 1.00 0.00 H new ATOM 1025 N SER A 100 -0.155 11.128 -0.334 1.00 0.00 N ATOM 1026 CA SER A 100 -0.368 12.457 0.181 1.00 0.00 C ATOM 1027 C SER A 100 -0.623 13.372 -1.018 1.00 0.00 C ATOM 1028 O SER A 100 0.293 13.957 -1.591 1.00 0.00 O ATOM 1029 CB SER A 100 0.833 12.898 1.034 1.00 0.00 C ATOM 1030 OG SER A 100 2.046 12.876 0.293 1.00 0.00 O ATOM 0 H SER A 100 0.548 11.060 -1.070 1.00 0.00 H new ATOM 0 HA SER A 100 -1.231 12.499 0.845 1.00 0.00 H new ATOM 0 HB2 SER A 100 0.658 13.904 1.414 1.00 0.00 H new ATOM 0 HB3 SER A 100 0.924 12.242 1.899 1.00 0.00 H new ATOM 0 HG SER A 100 1.880 13.201 -0.616 1.00 0.00 H new ATOM 1113 N PRO A 106 -2.381 11.886 4.455 1.00 0.00 N ATOM 1114 CA PRO A 106 -1.531 10.733 4.138 1.00 0.00 C ATOM 1115 C PRO A 106 -2.182 9.382 4.437 1.00 0.00 C ATOM 1116 O PRO A 106 -2.559 9.080 5.573 1.00 0.00 O ATOM 1117 CB PRO A 106 -0.280 10.934 5.006 1.00 0.00 C ATOM 1118 CG PRO A 106 -0.616 12.035 5.954 1.00 0.00 C ATOM 1119 CD PRO A 106 -1.665 12.863 5.280 1.00 0.00 C ATOM 0 HA PRO A 106 -1.322 10.697 3.069 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -0.025 10.020 5.543 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.583 11.195 4.394 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.984 11.636 6.899 1.00 0.00 H new ATOM 0 HG3 PRO A 106 0.265 12.634 6.182 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -2.326 13.342 6.002 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -1.225 13.656 4.675 1.00 0.00 H new ATOM 1127 N LYS A 107 -2.317 8.594 3.384 1.00 0.00 N ATOM 1128 CA LYS A 107 -2.819 7.224 3.464 1.00 0.00 C ATOM 1129 C LYS A 107 -1.942 6.287 2.654 1.00 0.00 C ATOM 1130 O LYS A 107 -1.413 6.679 1.624 1.00 0.00 O ATOM 1131 CB LYS A 107 -4.221 7.149 2.887 1.00 0.00 C ATOM 1132 CG LYS A 107 -5.278 7.817 3.730 1.00 0.00 C ATOM 1133 CD LYS A 107 -6.554 7.985 2.940 1.00 0.00 C ATOM 1134 CE LYS A 107 -6.371 8.970 1.801 1.00 0.00 C ATOM 1135 NZ LYS A 107 -7.666 9.540 1.351 1.00 0.00 N ATOM 0 H LYS A 107 -2.080 8.887 2.436 1.00 0.00 H new ATOM 0 HA LYS A 107 -2.817 6.931 4.514 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -4.219 7.608 1.898 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -4.490 6.101 2.752 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -5.471 7.221 4.622 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -4.921 8.790 4.068 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.868 7.020 2.542 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -7.350 8.332 3.599 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -5.711 9.776 2.120 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -5.883 8.471 0.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -7.523 10.073 0.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -8.345 8.770 1.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -8.039 10.177 2.084 1.00 0.00 H new ATOM 1149 N LEU A 108 -1.786 5.058 3.109 1.00 0.00 N ATOM 1150 CA LEU A 108 -1.224 4.017 2.265 1.00 0.00 C ATOM 1151 C LEU A 108 -2.357 3.113 1.803 1.00 0.00 C ATOM 1152 O LEU A 108 -2.795 2.247 2.554 1.00 0.00 O ATOM 1153 CB LEU A 108 -0.180 3.160 3.009 1.00 0.00 C ATOM 1154 CG LEU A 108 1.152 3.828 3.386 1.00 0.00 C ATOM 1155 CD1 LEU A 108 1.369 5.128 2.639 1.00 0.00 C ATOM 1156 CD2 LEU A 108 1.240 4.043 4.885 1.00 0.00 C ATOM 0 H LEU A 108 -2.038 4.756 4.050 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.721 4.497 1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.641 2.789 3.925 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.043 2.291 2.390 1.00 0.00 H new ATOM 0 HG LEU A 108 1.951 3.150 3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.322 5.564 2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 108 1.378 4.934 1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 108 0.563 5.822 2.875 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.191 4.517 5.129 1.00 0.00 H new ATOM 0 HD22 LEU A 108 0.421 4.685 5.209 1.00 0.00 H new ATOM 0 HD23 LEU A 108 1.172 3.082 5.395 1.00 0.00 H new ATOM 1168 N ASN A 109 -2.819 3.276 0.571 1.00 0.00 N ATOM 1169 CA ASN A 109 -3.950 2.484 0.093 1.00 0.00 C ATOM 1170 C ASN A 109 -3.515 1.333 -0.769 1.00 0.00 C ATOM 1171 O ASN A 109 -2.776 1.495 -1.724 1.00 0.00 O ATOM 1172 CB ASN A 109 -4.965 3.296 -0.711 1.00 0.00 C ATOM 1173 CG ASN A 109 -4.346 4.109 -1.835 1.00 0.00 C ATOM 1174 OD1 ASN A 109 -3.191 4.514 -1.768 1.00 0.00 O ATOM 1175 ND2 ASN A 109 -5.122 4.361 -2.882 1.00 0.00 N ATOM 0 H ASN A 109 -2.438 3.936 -0.107 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.422 2.121 1.006 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -5.708 2.618 -1.132 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.494 3.969 -0.037 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -4.762 4.907 -3.664 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -6.079 4.008 -2.904 1.00 0.00 H new ATOM 1182 N ILE A 110 -4.007 0.171 -0.432 1.00 0.00 N ATOM 1183 CA ILE A 110 -3.877 -0.980 -1.278 1.00 0.00 C ATOM 1184 C ILE A 110 -4.849 -0.862 -2.429 1.00 0.00 C ATOM 1185 O ILE A 110 -6.049 -0.723 -2.216 1.00 0.00 O ATOM 1186 CB ILE A 110 -4.196 -2.254 -0.505 1.00 0.00 C ATOM 1187 CG1 ILE A 110 -3.356 -2.295 0.770 1.00 0.00 C ATOM 1188 CG2 ILE A 110 -3.949 -3.462 -1.383 1.00 0.00 C ATOM 1189 CD1 ILE A 110 -3.734 -3.397 1.725 1.00 0.00 C ATOM 0 H ILE A 110 -4.510 -0.002 0.439 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.851 -1.028 -1.643 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.247 -2.267 -0.217 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.307 -2.411 0.497 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -3.448 -1.338 1.283 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.179 -4.370 -0.825 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -4.587 -3.407 -2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -2.904 -3.480 -1.691 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -3.089 -3.355 2.603 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -4.773 -3.273 2.031 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -3.614 -4.362 1.233 1.00 0.00 H new ATOM 1201 N LEU A 111 -4.350 -0.897 -3.640 1.00 0.00 N ATOM 1202 CA LEU A 111 -5.223 -0.806 -4.788 1.00 0.00 C ATOM 1203 C LEU A 111 -5.552 -2.193 -5.308 1.00 0.00 C ATOM 1204 O LEU A 111 -6.466 -2.355 -6.114 1.00 0.00 O ATOM 1205 CB LEU A 111 -4.597 0.026 -5.915 1.00 0.00 C ATOM 1206 CG LEU A 111 -4.574 1.538 -5.694 1.00 0.00 C ATOM 1207 CD1 LEU A 111 -5.967 2.058 -5.379 1.00 0.00 C ATOM 1208 CD2 LEU A 111 -3.600 1.903 -4.593 1.00 0.00 C ATOM 0 H LEU A 111 -3.357 -0.987 -3.857 1.00 0.00 H new ATOM 0 HA LEU A 111 -6.136 -0.307 -4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -3.573 -0.315 -6.067 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -5.141 -0.179 -6.837 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.237 2.012 -6.616 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.927 3.136 -5.225 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.635 1.835 -6.211 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -6.339 1.576 -4.475 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -3.599 2.984 -4.452 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.900 1.416 -3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -2.599 1.572 -4.869 1.00 0.00 H new ATOM 1220 N GLU A 112 -4.838 -3.206 -4.818 1.00 0.00 N ATOM 1221 CA GLU A 112 -4.900 -4.509 -5.435 1.00 0.00 C ATOM 1222 C GLU A 112 -4.614 -5.591 -4.420 1.00 0.00 C ATOM 1223 O GLU A 112 -3.604 -5.546 -3.721 1.00 0.00 O ATOM 1224 CB GLU A 112 -3.896 -4.568 -6.585 1.00 0.00 C ATOM 1225 CG GLU A 112 -3.771 -5.928 -7.237 1.00 0.00 C ATOM 1226 CD GLU A 112 -2.877 -5.886 -8.457 1.00 0.00 C ATOM 1227 OE1 GLU A 112 -1.645 -5.796 -8.292 1.00 0.00 O ATOM 1228 OE2 GLU A 112 -3.408 -5.920 -9.588 1.00 0.00 O ATOM 0 H GLU A 112 -4.222 -3.142 -4.008 1.00 0.00 H new ATOM 0 HA GLU A 112 -5.904 -4.676 -5.826 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -4.187 -3.841 -7.343 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -2.917 -4.266 -6.212 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -3.370 -6.641 -6.517 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.760 -6.286 -7.523 1.00 0.00 H new ATOM 1235 N ILE A 113 -5.525 -6.538 -4.327 1.00 0.00 N ATOM 1236 CA ILE A 113 -5.359 -7.672 -3.447 1.00 0.00 C ATOM 1237 C ILE A 113 -5.527 -8.958 -4.224 1.00 0.00 C ATOM 1238 O ILE A 113 -6.572 -9.195 -4.829 1.00 0.00 O ATOM 1239 CB ILE A 113 -6.368 -7.663 -2.276 1.00 0.00 C ATOM 1240 CG1 ILE A 113 -6.053 -6.521 -1.315 1.00 0.00 C ATOM 1241 CG2 ILE A 113 -6.353 -8.998 -1.548 1.00 0.00 C ATOM 1242 CD1 ILE A 113 -6.868 -6.569 -0.049 1.00 0.00 C ATOM 0 H ILE A 113 -6.396 -6.542 -4.857 1.00 0.00 H new ATOM 0 HA ILE A 113 -4.355 -7.603 -3.029 1.00 0.00 H new ATOM 0 HB ILE A 113 -7.368 -7.508 -2.680 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -4.994 -6.552 -1.059 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -6.232 -5.571 -1.819 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -7.069 -8.973 -0.727 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -6.624 -9.794 -2.242 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -5.355 -9.186 -1.153 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -6.596 -5.730 0.591 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -7.928 -6.508 -0.296 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -6.671 -7.504 0.475 1.00 0.00 H new ATOM 1254 N VAL A 114 -4.487 -9.773 -4.232 1.00 0.00 N ATOM 1255 CA VAL A 114 -4.568 -11.105 -4.799 1.00 0.00 C ATOM 1256 C VAL A 114 -3.851 -12.094 -3.893 1.00 0.00 C ATOM 1257 O VAL A 114 -2.648 -11.975 -3.667 1.00 0.00 O ATOM 1258 CB VAL A 114 -3.972 -11.178 -6.228 1.00 0.00 C ATOM 1259 CG1 VAL A 114 -4.897 -10.517 -7.239 1.00 0.00 C ATOM 1260 CG2 VAL A 114 -2.591 -10.531 -6.272 1.00 0.00 C ATOM 0 H VAL A 114 -3.572 -9.533 -3.850 1.00 0.00 H new ATOM 0 HA VAL A 114 -5.625 -11.361 -4.874 1.00 0.00 H new ATOM 0 HB VAL A 114 -3.871 -12.230 -6.494 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -4.455 -10.582 -8.233 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -5.861 -11.025 -7.236 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -5.038 -9.470 -6.973 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -2.192 -10.594 -7.284 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -2.670 -9.485 -5.977 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -1.923 -11.052 -5.586 1.00 0.00 H new ATOM 1270 N LYS A 115 -4.605 -13.025 -3.319 1.00 0.00 N ATOM 1271 CA LYS A 115 -4.018 -14.012 -2.428 1.00 0.00 C ATOM 1272 C LYS A 115 -2.966 -14.831 -3.163 1.00 0.00 C ATOM 1273 O LYS A 115 -3.255 -15.544 -4.121 1.00 0.00 O ATOM 1274 CB LYS A 115 -5.080 -14.913 -1.779 1.00 0.00 C ATOM 1275 CG LYS A 115 -5.677 -15.968 -2.692 1.00 0.00 C ATOM 1276 CD LYS A 115 -5.745 -17.315 -1.990 1.00 0.00 C ATOM 1277 CE LYS A 115 -4.366 -17.774 -1.540 1.00 0.00 C ATOM 1278 NZ LYS A 115 -4.420 -19.011 -0.716 1.00 0.00 N ATOM 0 H LYS A 115 -5.612 -13.115 -3.454 1.00 0.00 H new ATOM 0 HA LYS A 115 -3.530 -13.474 -1.615 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -4.634 -15.411 -0.918 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -5.886 -14.284 -1.402 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -6.677 -15.664 -3.002 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -5.076 -16.055 -3.597 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -6.407 -17.245 -1.127 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -6.176 -18.057 -2.663 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -3.742 -17.951 -2.416 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -3.891 -16.979 -0.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -3.545 -19.557 -0.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -4.516 -18.756 0.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -5.236 -19.586 -1.007 1.00 0.00 H new ATOM 1292 N THR A 116 -1.737 -14.665 -2.719 1.00 0.00 N ATOM 1293 CA THR A 116 -0.586 -15.356 -3.288 1.00 0.00 C ATOM 1294 C THR A 116 -0.257 -14.850 -4.700 1.00 0.00 C ATOM 1295 O THR A 116 0.758 -14.186 -4.917 1.00 0.00 O ATOM 1296 CB THR A 116 -0.830 -16.882 -3.305 1.00 0.00 C ATOM 1297 OG1 THR A 116 -0.696 -17.417 -1.982 1.00 0.00 O ATOM 1298 CG2 THR A 116 0.118 -17.588 -4.252 1.00 0.00 C ATOM 0 H THR A 116 -1.501 -14.042 -1.946 1.00 0.00 H new ATOM 0 HA THR A 116 0.274 -15.140 -2.654 1.00 0.00 H new ATOM 0 HB THR A 116 -1.845 -17.053 -3.662 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.854 -18.384 -2.003 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.084 -18.659 -4.237 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.026 -17.206 -5.263 1.00 0.00 H new ATOM 0 HG23 THR A 116 1.146 -17.408 -3.939 1.00 0.00 H new