USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 714 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 Single : A 16 SER OG : rot -14:sc= 0.748 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 23 HIS : no HE2:sc= -11.6! C(o=-12!,f=-10!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -94:sc= 1.26 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 175:sc= 0.501 (180deg=0.485) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= -1.13 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -2.26 K(o=-2.3,f=-1.8) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 110:sc= -2.17! USER MOD Single : A 84 CYS SG : rot 180:sc=-0.00117 USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -69:sc= -1.27 USER MOD Single : A 96 ASN : amide:sc= -0.256 K(o=-0.26,f=-2.8!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= -1.07 USER MOD Single : A 105 ASN : amide:sc= -0.706 K(o=-0.71,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 16 -13.345 -15.934 -10.831 1.00 0.00 N ATOM 2 CA SER A 16 -11.916 -15.552 -10.982 1.00 0.00 C ATOM 3 C SER A 16 -11.353 -16.039 -12.316 1.00 0.00 C ATOM 4 O SER A 16 -10.646 -17.045 -12.369 1.00 0.00 O ATOM 5 CB SER A 16 -11.122 -16.157 -9.822 1.00 0.00 C ATOM 6 OG SER A 16 -11.756 -17.322 -9.323 1.00 0.00 O ATOM 0 HA SER A 16 -11.833 -14.465 -10.967 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.114 -16.403 -10.156 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.023 -15.422 -9.023 1.00 0.00 H new ATOM 0 HG SER A 16 -12.672 -17.369 -9.668 1.00 0.00 H new ATOM 14 N PRO A 17 -11.658 -15.327 -13.414 1.00 0.00 N ATOM 15 CA PRO A 17 -11.176 -15.689 -14.753 1.00 0.00 C ATOM 16 C PRO A 17 -9.653 -15.722 -14.831 1.00 0.00 C ATOM 17 O PRO A 17 -9.081 -16.327 -15.738 1.00 0.00 O ATOM 18 CB PRO A 17 -11.731 -14.580 -15.653 1.00 0.00 C ATOM 19 CG PRO A 17 -12.867 -13.992 -14.889 1.00 0.00 C ATOM 20 CD PRO A 17 -12.492 -14.113 -13.441 1.00 0.00 C ATOM 0 HA PRO A 17 -11.501 -16.689 -15.041 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -10.970 -13.830 -15.868 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -12.065 -14.980 -16.611 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -13.027 -12.950 -15.166 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -13.796 -14.523 -15.098 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -11.943 -13.238 -13.092 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -13.371 -14.213 -12.804 1.00 0.00 H new ATOM 28 N THR A 18 -9.002 -15.070 -13.872 1.00 0.00 N ATOM 29 CA THR A 18 -7.553 -15.023 -13.827 1.00 0.00 C ATOM 30 C THR A 18 -7.062 -14.906 -12.388 1.00 0.00 C ATOM 31 O THR A 18 -7.708 -14.268 -11.556 1.00 0.00 O ATOM 32 CB THR A 18 -7.033 -13.846 -14.652 1.00 0.00 C ATOM 33 OG1 THR A 18 -7.722 -13.749 -15.884 1.00 0.00 O ATOM 34 CG2 THR A 18 -5.554 -13.933 -14.959 1.00 0.00 C ATOM 0 H THR A 18 -9.462 -14.566 -13.114 1.00 0.00 H new ATOM 0 HA THR A 18 -7.169 -15.951 -14.252 1.00 0.00 H new ATOM 0 HB THR A 18 -7.207 -12.966 -14.033 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.374 -12.988 -16.394 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.253 -13.066 -15.547 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.989 -13.953 -14.027 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.353 -14.843 -15.525 1.00 0.00 H new ATOM 42 N PRO A 19 -5.909 -15.520 -12.071 1.00 0.00 N ATOM 43 CA PRO A 19 -5.341 -15.475 -10.721 1.00 0.00 C ATOM 44 C PRO A 19 -5.197 -14.046 -10.205 1.00 0.00 C ATOM 45 O PRO A 19 -5.687 -13.100 -10.821 1.00 0.00 O ATOM 46 CB PRO A 19 -3.968 -16.125 -10.890 1.00 0.00 C ATOM 47 CG PRO A 19 -4.112 -17.007 -12.081 1.00 0.00 C ATOM 48 CD PRO A 19 -5.071 -16.306 -12.997 1.00 0.00 C ATOM 0 HA PRO A 19 -5.976 -15.979 -9.993 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.191 -15.376 -11.044 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.689 -16.697 -10.005 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.150 -17.165 -12.569 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.490 -17.989 -11.797 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.552 -15.667 -13.711 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.665 -17.013 -13.576 1.00 0.00 H new ATOM 56 N VAL A 20 -4.524 -13.899 -9.068 1.00 0.00 N ATOM 57 CA VAL A 20 -4.318 -12.590 -8.460 1.00 0.00 C ATOM 58 C VAL A 20 -3.884 -11.548 -9.485 1.00 0.00 C ATOM 59 O VAL A 20 -2.937 -11.760 -10.243 1.00 0.00 O ATOM 60 CB VAL A 20 -3.255 -12.650 -7.346 1.00 0.00 C ATOM 61 CG1 VAL A 20 -3.702 -13.577 -6.227 1.00 0.00 C ATOM 62 CG2 VAL A 20 -1.910 -13.086 -7.909 1.00 0.00 C ATOM 0 H VAL A 20 -4.111 -14.673 -8.548 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.279 -12.298 -8.037 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.138 -11.649 -6.930 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.937 -13.605 -5.451 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.637 -13.211 -5.803 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.853 -14.581 -6.624 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.174 -13.122 -7.106 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.006 -14.075 -8.357 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.585 -12.374 -8.668 1.00 0.00 H new ATOM 72 N GLU A 21 -4.569 -10.410 -9.483 1.00 0.00 N ATOM 73 CA GLU A 21 -4.244 -9.322 -10.390 1.00 0.00 C ATOM 74 C GLU A 21 -3.547 -8.216 -9.611 1.00 0.00 C ATOM 75 O GLU A 21 -4.090 -7.702 -8.632 1.00 0.00 O ATOM 76 CB GLU A 21 -5.511 -8.783 -11.060 1.00 0.00 C ATOM 77 CG GLU A 21 -5.382 -8.625 -12.566 1.00 0.00 C ATOM 78 CD GLU A 21 -5.025 -7.209 -12.973 1.00 0.00 C ATOM 79 OE1 GLU A 21 -4.132 -6.614 -12.335 1.00 0.00 O ATOM 80 OE2 GLU A 21 -5.638 -6.696 -13.934 1.00 0.00 O ATOM 0 H GLU A 21 -5.354 -10.219 -8.861 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.580 -9.691 -11.172 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.341 -9.456 -10.843 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.761 -7.817 -10.622 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.618 -9.309 -12.936 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.321 -8.910 -13.040 1.00 0.00 H new ATOM 87 N LEU A 22 -2.335 -7.866 -10.022 1.00 0.00 N ATOM 88 CA LEU A 22 -1.581 -6.839 -9.322 1.00 0.00 C ATOM 89 C LEU A 22 -1.649 -5.491 -10.028 1.00 0.00 C ATOM 90 O LEU A 22 -1.834 -5.416 -11.242 1.00 0.00 O ATOM 91 CB LEU A 22 -0.124 -7.262 -9.140 1.00 0.00 C ATOM 92 CG LEU A 22 0.626 -7.546 -10.433 1.00 0.00 C ATOM 93 CD1 LEU A 22 1.241 -6.267 -10.986 1.00 0.00 C ATOM 94 CD2 LEU A 22 1.695 -8.602 -10.205 1.00 0.00 C ATOM 0 H LEU A 22 -1.859 -8.273 -10.827 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.044 -6.722 -8.342 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.402 -6.477 -8.597 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.095 -8.156 -8.516 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.083 -7.929 -11.168 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.773 -6.490 -11.911 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.453 -5.541 -11.187 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.938 -5.853 -10.257 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.222 -8.794 -11.140 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.402 -8.248 -9.455 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.228 -9.523 -9.856 1.00 0.00 H new ATOM 106 N HIS A 23 -1.496 -4.429 -9.243 1.00 0.00 N ATOM 107 CA HIS A 23 -1.533 -3.072 -9.767 1.00 0.00 C ATOM 108 C HIS A 23 -0.558 -2.174 -9.009 1.00 0.00 C ATOM 109 O HIS A 23 -0.262 -2.412 -7.836 1.00 0.00 O ATOM 110 CB HIS A 23 -2.953 -2.506 -9.670 1.00 0.00 C ATOM 111 CG HIS A 23 -3.428 -2.287 -8.267 1.00 0.00 C ATOM 112 ND1 HIS A 23 -3.342 -1.069 -7.626 1.00 0.00 N ATOM 113 CD2 HIS A 23 -4.005 -3.135 -7.381 1.00 0.00 C ATOM 114 CE1 HIS A 23 -3.846 -1.177 -6.409 1.00 0.00 C ATOM 115 NE2 HIS A 23 -4.255 -2.420 -6.237 1.00 0.00 N ATOM 0 H HIS A 23 -1.344 -4.485 -8.236 1.00 0.00 H new ATOM 0 HA HIS A 23 -1.233 -3.101 -10.815 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -2.993 -1.559 -10.208 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -3.640 -3.187 -10.173 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -2.950 -0.217 -8.028 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -4.227 -4.179 -7.545 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -3.912 -0.383 -5.680 1.00 0.00 H new ATOM 124 N LYS A 24 -0.068 -1.142 -9.688 1.00 0.00 N ATOM 125 CA LYS A 24 0.870 -0.204 -9.081 1.00 0.00 C ATOM 126 C LYS A 24 0.131 0.784 -8.186 1.00 0.00 C ATOM 127 O LYS A 24 -0.527 1.705 -8.670 1.00 0.00 O ATOM 128 CB LYS A 24 1.648 0.551 -10.162 1.00 0.00 C ATOM 129 CG LYS A 24 3.109 0.780 -9.810 1.00 0.00 C ATOM 130 CD LYS A 24 3.902 1.264 -11.014 1.00 0.00 C ATOM 131 CE LYS A 24 4.453 0.101 -11.825 1.00 0.00 C ATOM 132 NZ LYS A 24 5.942 0.070 -11.810 1.00 0.00 N ATOM 0 H LYS A 24 -0.305 -0.934 -10.658 1.00 0.00 H new ATOM 0 HA LYS A 24 1.575 -0.771 -8.473 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.591 -0.007 -11.096 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.169 1.515 -10.337 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.180 1.514 -9.007 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.544 -0.147 -9.435 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.264 1.880 -11.647 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.724 1.897 -10.679 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.066 -0.836 -11.425 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.102 0.177 -12.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.278 -0.737 -12.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.312 0.954 -12.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.277 -0.028 -10.830 1.00 0.00 H new ATOM 146 N VAL A 25 0.235 0.579 -6.878 1.00 0.00 N ATOM 147 CA VAL A 25 -0.432 1.446 -5.916 1.00 0.00 C ATOM 148 C VAL A 25 0.528 2.477 -5.340 1.00 0.00 C ATOM 149 O VAL A 25 1.703 2.194 -5.116 1.00 0.00 O ATOM 150 CB VAL A 25 -1.051 0.650 -4.743 1.00 0.00 C ATOM 151 CG1 VAL A 25 -2.453 1.153 -4.439 1.00 0.00 C ATOM 152 CG2 VAL A 25 -1.067 -0.845 -5.035 1.00 0.00 C ATOM 0 H VAL A 25 0.774 -0.179 -6.460 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.228 1.946 -6.467 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.427 0.809 -3.864 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.873 0.582 -3.611 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.410 2.208 -4.167 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.082 1.031 -5.320 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.508 -1.376 -4.191 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.657 -1.034 -5.932 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.047 -1.196 -5.191 1.00 0.00 H new ATOM 162 N THR A 26 0.008 3.668 -5.085 1.00 0.00 N ATOM 163 CA THR A 26 0.802 4.745 -4.516 1.00 0.00 C ATOM 164 C THR A 26 0.021 5.429 -3.397 1.00 0.00 C ATOM 165 O THR A 26 -0.933 6.162 -3.656 1.00 0.00 O ATOM 166 CB THR A 26 1.176 5.762 -5.596 1.00 0.00 C ATOM 167 OG1 THR A 26 1.966 5.155 -6.604 1.00 0.00 O ATOM 168 CG2 THR A 26 1.946 6.952 -5.064 1.00 0.00 C ATOM 0 H THR A 26 -0.966 3.913 -5.264 1.00 0.00 H new ATOM 0 HA THR A 26 1.720 4.325 -4.105 1.00 0.00 H new ATOM 0 HB THR A 26 0.226 6.117 -5.996 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.915 5.294 -6.404 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.178 7.632 -5.884 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.343 7.473 -4.321 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.873 6.609 -4.604 1.00 0.00 H new ATOM 176 N LEU A 27 0.419 5.178 -2.156 1.00 0.00 N ATOM 177 CA LEU A 27 -0.263 5.765 -1.008 1.00 0.00 C ATOM 178 C LEU A 27 0.558 6.892 -0.391 1.00 0.00 C ATOM 179 O LEU A 27 1.689 7.149 -0.799 1.00 0.00 O ATOM 180 CB LEU A 27 -0.543 4.692 0.046 1.00 0.00 C ATOM 181 CG LEU A 27 -1.174 3.405 -0.492 1.00 0.00 C ATOM 182 CD1 LEU A 27 -0.208 2.238 -0.360 1.00 0.00 C ATOM 183 CD2 LEU A 27 -2.477 3.103 0.233 1.00 0.00 C ATOM 0 H LEU A 27 1.207 4.575 -1.919 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.206 6.183 -1.359 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.394 4.439 0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.203 5.113 0.805 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.395 3.550 -1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.676 1.333 -0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.698 2.450 -0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.047 2.093 0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.910 2.185 -0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.281 2.981 1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.175 3.927 0.085 1.00 0.00 H new ATOM 195 N TYR A 28 -0.027 7.555 0.601 1.00 0.00 N ATOM 196 CA TYR A 28 0.638 8.654 1.292 1.00 0.00 C ATOM 197 C TYR A 28 0.529 8.471 2.802 1.00 0.00 C ATOM 198 O TYR A 28 -0.382 7.800 3.288 1.00 0.00 O ATOM 199 CB TYR A 28 0.024 9.994 0.882 1.00 0.00 C ATOM 200 CG TYR A 28 -0.268 10.106 -0.598 1.00 0.00 C ATOM 201 CD1 TYR A 28 -1.297 9.375 -1.180 1.00 0.00 C ATOM 202 CD2 TYR A 28 0.483 10.944 -1.412 1.00 0.00 C ATOM 203 CE1 TYR A 28 -1.568 9.476 -2.532 1.00 0.00 C ATOM 204 CE2 TYR A 28 0.218 11.049 -2.765 1.00 0.00 C ATOM 205 CZ TYR A 28 -0.807 10.313 -3.319 1.00 0.00 C ATOM 206 OH TYR A 28 -1.073 10.416 -4.665 1.00 0.00 O ATOM 0 H TYR A 28 -0.965 7.349 0.946 1.00 0.00 H new ATOM 0 HA TYR A 28 1.691 8.651 1.010 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.902 10.144 1.438 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.702 10.797 1.171 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.895 8.717 -0.566 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.287 11.523 -0.981 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -2.372 8.902 -2.969 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.812 11.705 -3.385 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.447 11.048 -5.075 1.00 0.00 H new ATOM 216 N LYS A 29 1.457 9.067 3.542 1.00 0.00 N ATOM 217 CA LYS A 29 1.448 8.956 4.998 1.00 0.00 C ATOM 218 C LYS A 29 1.285 10.321 5.657 1.00 0.00 C ATOM 219 O LYS A 29 1.715 11.340 5.116 1.00 0.00 O ATOM 220 CB LYS A 29 2.734 8.291 5.494 1.00 0.00 C ATOM 221 CG LYS A 29 2.516 7.349 6.668 1.00 0.00 C ATOM 222 CD LYS A 29 3.123 7.902 7.949 1.00 0.00 C ATOM 223 CE LYS A 29 2.204 7.680 9.141 1.00 0.00 C ATOM 224 NZ LYS A 29 2.089 6.238 9.494 1.00 0.00 N ATOM 0 H LYS A 29 2.220 9.628 3.163 1.00 0.00 H new ATOM 0 HA LYS A 29 0.595 8.337 5.276 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.187 7.736 4.672 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.444 9.064 5.786 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.448 7.186 6.811 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.959 6.379 6.444 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.084 7.422 8.134 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.317 8.968 7.831 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.583 8.235 9.999 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.215 8.078 8.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.523 6.137 10.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.626 5.726 8.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.038 5.842 9.652 1.00 0.00 H new ATOM 238 N ASP A 30 0.661 10.330 6.831 1.00 0.00 N ATOM 239 CA ASP A 30 0.439 11.566 7.572 1.00 0.00 C ATOM 240 C ASP A 30 1.210 11.553 8.887 1.00 0.00 C ATOM 241 O ASP A 30 1.484 10.490 9.447 1.00 0.00 O ATOM 242 CB ASP A 30 -1.052 11.765 7.841 1.00 0.00 C ATOM 243 CG ASP A 30 -1.774 12.395 6.665 1.00 0.00 C ATOM 244 OD1 ASP A 30 -2.159 11.651 5.738 1.00 0.00 O ATOM 245 OD2 ASP A 30 -1.955 13.630 6.672 1.00 0.00 O ATOM 0 H ASP A 30 0.300 9.494 7.290 1.00 0.00 H new ATOM 0 HA ASP A 30 0.802 12.396 6.966 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.508 10.802 8.070 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.178 12.395 8.721 1.00 0.00 H new ATOM 250 N SER A 31 1.559 12.738 9.375 1.00 0.00 N ATOM 251 CA SER A 31 2.300 12.862 10.625 1.00 0.00 C ATOM 252 C SER A 31 1.487 12.338 11.804 1.00 0.00 C ATOM 253 O SER A 31 2.046 11.911 12.815 1.00 0.00 O ATOM 254 CB SER A 31 2.686 14.322 10.866 1.00 0.00 C ATOM 255 OG SER A 31 3.776 14.705 10.047 1.00 0.00 O ATOM 0 H SER A 31 1.341 13.627 8.924 1.00 0.00 H new ATOM 0 HA SER A 31 3.204 12.259 10.541 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.830 14.966 10.662 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.948 14.463 11.915 1.00 0.00 H new ATOM 0 HG SER A 31 4.001 15.643 10.220 1.00 0.00 H new ATOM 261 N GLY A 32 0.164 12.374 11.675 1.00 0.00 N ATOM 262 CA GLY A 32 -0.698 11.903 12.742 1.00 0.00 C ATOM 263 C GLY A 32 -1.291 10.533 12.467 1.00 0.00 C ATOM 264 O GLY A 32 -2.068 10.017 13.271 1.00 0.00 O ATOM 0 H GLY A 32 -0.326 12.721 10.850 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.129 11.866 13.671 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.506 12.619 12.891 1.00 0.00 H new ATOM 268 N MET A 33 -0.928 9.938 11.334 1.00 0.00 N ATOM 269 CA MET A 33 -1.438 8.619 10.969 1.00 0.00 C ATOM 270 C MET A 33 -0.651 7.516 11.670 1.00 0.00 C ATOM 271 O MET A 33 0.572 7.443 11.557 1.00 0.00 O ATOM 272 CB MET A 33 -1.374 8.425 9.453 1.00 0.00 C ATOM 273 CG MET A 33 -2.684 8.730 8.745 1.00 0.00 C ATOM 274 SD MET A 33 -4.035 7.672 9.299 1.00 0.00 S ATOM 275 CE MET A 33 -5.453 8.624 8.762 1.00 0.00 C ATOM 0 H MET A 33 -0.285 10.346 10.655 1.00 0.00 H new ATOM 0 HA MET A 33 -2.477 8.558 11.292 1.00 0.00 H new ATOM 0 HB2 MET A 33 -0.593 9.066 9.046 1.00 0.00 H new ATOM 0 HB3 MET A 33 -1.086 7.396 9.239 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.951 9.773 8.916 1.00 0.00 H new ATOM 0 HG3 MET A 33 -2.549 8.608 7.670 1.00 0.00 H new ATOM 0 HE1 MET A 33 -6.368 8.098 9.034 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.439 9.601 9.245 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.416 8.753 7.680 1.00 0.00 H new ATOM 285 N GLU A 34 -1.364 6.658 12.395 1.00 0.00 N ATOM 286 CA GLU A 34 -0.734 5.554 13.111 1.00 0.00 C ATOM 287 C GLU A 34 -0.364 4.415 12.163 1.00 0.00 C ATOM 288 O GLU A 34 0.349 3.486 12.542 1.00 0.00 O ATOM 289 CB GLU A 34 -1.664 5.037 14.213 1.00 0.00 C ATOM 290 CG GLU A 34 -0.944 4.702 15.509 1.00 0.00 C ATOM 291 CD GLU A 34 -0.638 5.933 16.340 1.00 0.00 C ATOM 292 OE1 GLU A 34 0.184 6.761 15.895 1.00 0.00 O ATOM 293 OE2 GLU A 34 -1.221 6.069 17.436 1.00 0.00 O ATOM 0 H GLU A 34 -2.377 6.706 12.502 1.00 0.00 H new ATOM 0 HA GLU A 34 0.184 5.930 13.563 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.427 5.788 14.415 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.180 4.147 13.853 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.557 4.016 16.094 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.014 4.182 15.280 1.00 0.00 H new ATOM 300 N ASP A 35 -0.853 4.494 10.931 1.00 0.00 N ATOM 301 CA ASP A 35 -0.574 3.475 9.926 1.00 0.00 C ATOM 302 C ASP A 35 -0.710 4.053 8.523 1.00 0.00 C ATOM 303 O ASP A 35 -0.794 5.270 8.352 1.00 0.00 O ATOM 304 CB ASP A 35 -1.523 2.285 10.098 1.00 0.00 C ATOM 305 CG ASP A 35 -0.834 0.958 9.858 1.00 0.00 C ATOM 306 OD1 ASP A 35 0.063 0.902 8.992 1.00 0.00 O ATOM 307 OD2 ASP A 35 -1.191 -0.029 10.538 1.00 0.00 O ATOM 0 H ASP A 35 -1.447 5.256 10.603 1.00 0.00 H new ATOM 0 HA ASP A 35 0.452 3.132 10.062 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.939 2.298 11.105 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.359 2.388 9.406 1.00 0.00 H new ATOM 312 N PHE A 36 -0.727 3.182 7.518 1.00 0.00 N ATOM 313 CA PHE A 36 -0.850 3.626 6.134 1.00 0.00 C ATOM 314 C PHE A 36 -2.248 3.354 5.579 1.00 0.00 C ATOM 315 O PHE A 36 -2.453 3.366 4.366 1.00 0.00 O ATOM 316 CB PHE A 36 0.205 2.946 5.262 1.00 0.00 C ATOM 317 CG PHE A 36 1.110 3.921 4.562 1.00 0.00 C ATOM 318 CD1 PHE A 36 0.667 4.625 3.455 1.00 0.00 C ATOM 319 CD2 PHE A 36 2.401 4.134 5.016 1.00 0.00 C ATOM 320 CE1 PHE A 36 1.495 5.525 2.812 1.00 0.00 C ATOM 321 CE2 PHE A 36 3.235 5.032 4.376 1.00 0.00 C ATOM 322 CZ PHE A 36 2.781 5.727 3.273 1.00 0.00 C ATOM 0 H PHE A 36 -0.658 2.171 7.635 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.687 4.704 6.116 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.807 2.282 5.882 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.293 2.324 4.519 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.337 4.469 3.090 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.760 3.593 5.879 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.137 6.069 1.951 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.240 5.190 4.738 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.431 6.428 2.771 1.00 0.00 H new ATOM 332 N GLY A 37 -3.206 3.119 6.472 1.00 0.00 N ATOM 333 CA GLY A 37 -4.568 2.863 6.041 1.00 0.00 C ATOM 334 C GLY A 37 -4.869 1.391 5.826 1.00 0.00 C ATOM 335 O GLY A 37 -5.945 1.043 5.338 1.00 0.00 O ATOM 0 H GLY A 37 -3.064 3.101 7.482 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.257 3.262 6.786 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.754 3.403 5.113 1.00 0.00 H new ATOM 339 N PHE A 38 -3.932 0.518 6.188 1.00 0.00 N ATOM 340 CA PHE A 38 -4.138 -0.916 6.024 1.00 0.00 C ATOM 341 C PHE A 38 -3.004 -1.724 6.647 1.00 0.00 C ATOM 342 O PHE A 38 -1.846 -1.305 6.633 1.00 0.00 O ATOM 343 CB PHE A 38 -4.289 -1.271 4.544 1.00 0.00 C ATOM 344 CG PHE A 38 -3.018 -1.184 3.742 1.00 0.00 C ATOM 345 CD1 PHE A 38 -2.520 0.041 3.326 1.00 0.00 C ATOM 346 CD2 PHE A 38 -2.333 -2.336 3.392 1.00 0.00 C ATOM 347 CE1 PHE A 38 -1.362 0.113 2.574 1.00 0.00 C ATOM 348 CE2 PHE A 38 -1.174 -2.269 2.642 1.00 0.00 C ATOM 349 CZ PHE A 38 -0.689 -1.045 2.231 1.00 0.00 C ATOM 0 H PHE A 38 -3.032 0.776 6.593 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.058 -1.176 6.547 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.683 -2.284 4.466 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.029 -0.606 4.099 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.042 0.948 3.592 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.709 -3.298 3.709 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.984 1.073 2.255 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.648 -3.175 2.378 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.215 -0.991 1.642 1.00 0.00 H new ATOM 359 N SER A 39 -3.349 -2.889 7.187 1.00 0.00 N ATOM 360 CA SER A 39 -2.370 -3.768 7.812 1.00 0.00 C ATOM 361 C SER A 39 -2.268 -5.076 7.038 1.00 0.00 C ATOM 362 O SER A 39 -3.256 -5.551 6.476 1.00 0.00 O ATOM 363 CB SER A 39 -2.752 -4.047 9.266 1.00 0.00 C ATOM 364 OG SER A 39 -3.436 -2.944 9.835 1.00 0.00 O ATOM 0 H SER A 39 -4.304 -3.246 7.203 1.00 0.00 H new ATOM 0 HA SER A 39 -1.400 -3.271 7.796 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.383 -4.935 9.316 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.854 -4.261 9.846 1.00 0.00 H new ATOM 0 HG SER A 39 -3.671 -3.149 10.764 1.00 0.00 H new ATOM 370 N VAL A 40 -1.070 -5.650 7.005 1.00 0.00 N ATOM 371 CA VAL A 40 -0.840 -6.899 6.291 1.00 0.00 C ATOM 372 C VAL A 40 -0.697 -8.077 7.249 1.00 0.00 C ATOM 373 O VAL A 40 -0.610 -7.897 8.464 1.00 0.00 O ATOM 374 CB VAL A 40 0.416 -6.815 5.405 1.00 0.00 C ATOM 375 CG1 VAL A 40 0.254 -5.728 4.353 1.00 0.00 C ATOM 376 CG2 VAL A 40 1.656 -6.569 6.254 1.00 0.00 C ATOM 0 H VAL A 40 -0.243 -5.269 7.465 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.714 -7.061 5.660 1.00 0.00 H new ATOM 0 HB VAL A 40 0.542 -7.769 4.892 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.151 -5.683 3.736 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.608 -5.955 3.725 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.102 -4.767 4.844 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.533 -6.513 5.609 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.545 -5.631 6.798 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.779 -7.387 6.964 1.00 0.00 H new ATOM 386 N ALA A 41 -0.670 -9.282 6.689 1.00 0.00 N ATOM 387 CA ALA A 41 -0.536 -10.495 7.486 1.00 0.00 C ATOM 388 C ALA A 41 0.552 -11.402 6.920 1.00 0.00 C ATOM 389 O ALA A 41 1.163 -11.094 5.897 1.00 0.00 O ATOM 390 CB ALA A 41 -1.861 -11.237 7.543 1.00 0.00 C ATOM 0 H ALA A 41 -0.739 -9.444 5.684 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.248 -10.207 8.497 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.746 -12.141 8.141 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.618 -10.596 7.995 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.170 -11.507 6.533 1.00 0.00 H new ATOM 396 N ASP A 42 0.788 -12.524 7.593 1.00 0.00 N ATOM 397 CA ASP A 42 1.801 -13.478 7.156 1.00 0.00 C ATOM 398 C ASP A 42 1.201 -14.508 6.208 1.00 0.00 C ATOM 399 O ASP A 42 0.181 -15.129 6.509 1.00 0.00 O ATOM 400 CB ASP A 42 2.426 -14.181 8.362 1.00 0.00 C ATOM 401 CG ASP A 42 1.385 -14.803 9.273 1.00 0.00 C ATOM 402 OD1 ASP A 42 0.725 -14.051 10.021 1.00 0.00 O ATOM 403 OD2 ASP A 42 1.230 -16.041 9.238 1.00 0.00 O ATOM 0 H ASP A 42 0.292 -12.794 8.442 1.00 0.00 H new ATOM 0 HA ASP A 42 2.577 -12.928 6.624 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.109 -14.956 8.014 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.020 -13.464 8.929 1.00 0.00 H new ATOM 408 N GLY A 43 1.846 -14.688 5.060 1.00 0.00 N ATOM 409 CA GLY A 43 1.368 -15.645 4.082 1.00 0.00 C ATOM 410 C GLY A 43 2.103 -16.966 4.165 1.00 0.00 C ATOM 411 O GLY A 43 3.220 -17.096 3.665 1.00 0.00 O ATOM 0 H GLY A 43 2.692 -14.187 4.790 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.302 -15.815 4.234 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.485 -15.228 3.082 1.00 0.00 H new ATOM 415 N LEU A 44 1.477 -17.948 4.804 1.00 0.00 N ATOM 416 CA LEU A 44 2.084 -19.266 4.954 1.00 0.00 C ATOM 417 C LEU A 44 1.632 -20.209 3.847 1.00 0.00 C ATOM 418 O LEU A 44 2.316 -21.181 3.524 1.00 0.00 O ATOM 419 CB LEU A 44 1.741 -19.857 6.325 1.00 0.00 C ATOM 420 CG LEU A 44 2.939 -20.381 7.121 1.00 0.00 C ATOM 421 CD1 LEU A 44 3.635 -21.499 6.362 1.00 0.00 C ATOM 422 CD2 LEU A 44 3.914 -19.252 7.420 1.00 0.00 C ATOM 0 H LEU A 44 0.553 -17.857 5.225 1.00 0.00 H new ATOM 0 HA LEU A 44 3.165 -19.149 4.879 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.236 -19.094 6.917 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.032 -20.673 6.185 1.00 0.00 H new ATOM 0 HG LEU A 44 2.575 -20.782 8.067 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.484 -21.859 6.943 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.935 -22.318 6.197 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.986 -21.123 5.401 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.760 -19.642 7.986 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.271 -18.822 6.484 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.411 -18.482 8.004 1.00 0.00 H new ATOM 434 N LEU A 45 0.475 -19.917 3.273 1.00 0.00 N ATOM 435 CA LEU A 45 -0.077 -20.735 2.199 1.00 0.00 C ATOM 436 C LEU A 45 0.514 -20.347 0.846 1.00 0.00 C ATOM 437 O LEU A 45 0.325 -21.051 -0.147 1.00 0.00 O ATOM 438 CB LEU A 45 -1.600 -20.601 2.159 1.00 0.00 C ATOM 439 CG LEU A 45 -2.347 -21.403 3.227 1.00 0.00 C ATOM 440 CD1 LEU A 45 -2.165 -20.768 4.596 1.00 0.00 C ATOM 441 CD2 LEU A 45 -3.823 -21.506 2.876 1.00 0.00 C ATOM 0 H LEU A 45 -0.103 -19.118 3.533 1.00 0.00 H new ATOM 0 HA LEU A 45 0.188 -21.773 2.401 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.860 -19.548 2.268 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.952 -20.916 1.177 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.929 -22.409 3.259 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.703 -21.352 5.342 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.105 -20.745 4.848 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.556 -19.751 4.580 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.341 -22.079 3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.254 -20.506 2.817 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.934 -22.006 1.914 1.00 0.00 H new ATOM 453 N GLU A 46 1.228 -19.227 0.809 1.00 0.00 N ATOM 454 CA GLU A 46 1.842 -18.751 -0.426 1.00 0.00 C ATOM 455 C GLU A 46 3.073 -17.901 -0.131 1.00 0.00 C ATOM 456 O GLU A 46 3.370 -16.955 -0.861 1.00 0.00 O ATOM 457 CB GLU A 46 0.837 -17.935 -1.250 1.00 0.00 C ATOM 458 CG GLU A 46 -0.615 -18.326 -1.023 1.00 0.00 C ATOM 459 CD GLU A 46 -1.567 -17.602 -1.955 1.00 0.00 C ATOM 460 OE1 GLU A 46 -1.792 -16.392 -1.752 1.00 0.00 O ATOM 461 OE2 GLU A 46 -2.086 -18.247 -2.891 1.00 0.00 O ATOM 0 H GLU A 46 1.396 -18.632 1.620 1.00 0.00 H new ATOM 0 HA GLU A 46 2.149 -19.624 -1.002 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.959 -16.879 -1.010 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.072 -18.051 -2.308 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.724 -19.402 -1.163 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.888 -18.109 0.010 1.00 0.00 H new ATOM 468 N LYS A 47 3.785 -18.252 0.943 1.00 0.00 N ATOM 469 CA LYS A 47 4.998 -17.538 1.365 1.00 0.00 C ATOM 470 C LYS A 47 5.010 -16.086 0.884 1.00 0.00 C ATOM 471 O LYS A 47 5.476 -15.789 -0.216 1.00 0.00 O ATOM 472 CB LYS A 47 6.245 -18.264 0.854 1.00 0.00 C ATOM 473 CG LYS A 47 6.269 -18.461 -0.655 1.00 0.00 C ATOM 474 CD LYS A 47 7.286 -17.549 -1.323 1.00 0.00 C ATOM 475 CE LYS A 47 6.789 -17.056 -2.672 1.00 0.00 C ATOM 476 NZ LYS A 47 6.688 -18.161 -3.665 1.00 0.00 N ATOM 0 H LYS A 47 3.539 -19.038 1.545 1.00 0.00 H new ATOM 0 HA LYS A 47 5.002 -17.525 2.455 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.129 -17.700 1.151 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.311 -19.238 1.339 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.506 -19.500 -0.883 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.278 -18.263 -1.064 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.492 -16.696 -0.676 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.226 -18.085 -1.454 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.812 -16.588 -2.550 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.465 -16.289 -3.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.346 -17.783 -4.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.625 -18.592 -3.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.023 -18.881 -3.317 1.00 0.00 H new ATOM 490 N GLY A 48 4.493 -15.186 1.716 1.00 0.00 N ATOM 491 CA GLY A 48 4.453 -13.782 1.359 1.00 0.00 C ATOM 492 C GLY A 48 3.679 -12.951 2.365 1.00 0.00 C ATOM 493 O GLY A 48 3.442 -13.391 3.488 1.00 0.00 O ATOM 0 H GLY A 48 4.101 -15.406 2.632 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.471 -13.400 1.283 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.997 -13.673 0.375 1.00 0.00 H new ATOM 497 N VAL A 49 3.286 -11.748 1.961 1.00 0.00 N ATOM 498 CA VAL A 49 2.535 -10.854 2.837 1.00 0.00 C ATOM 499 C VAL A 49 1.427 -10.143 2.063 1.00 0.00 C ATOM 500 O VAL A 49 1.659 -9.608 0.980 1.00 0.00 O ATOM 501 CB VAL A 49 3.461 -9.809 3.495 1.00 0.00 C ATOM 502 CG1 VAL A 49 2.657 -8.748 4.239 1.00 0.00 C ATOM 503 CG2 VAL A 49 4.442 -10.487 4.437 1.00 0.00 C ATOM 0 H VAL A 49 3.475 -11.369 1.033 1.00 0.00 H new ATOM 0 HA VAL A 49 2.087 -11.465 3.621 1.00 0.00 H new ATOM 0 HB VAL A 49 4.021 -9.312 2.703 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.337 -8.027 4.691 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.997 -8.235 3.540 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.061 -9.223 5.018 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.087 -9.736 4.892 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.892 -11.014 5.217 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.051 -11.198 3.878 1.00 0.00 H new ATOM 513 N TYR A 50 0.223 -10.147 2.628 1.00 0.00 N ATOM 514 CA TYR A 50 -0.922 -9.503 1.991 1.00 0.00 C ATOM 515 C TYR A 50 -1.666 -8.619 2.985 1.00 0.00 C ATOM 516 O TYR A 50 -1.489 -8.746 4.196 1.00 0.00 O ATOM 517 CB TYR A 50 -1.884 -10.549 1.409 1.00 0.00 C ATOM 518 CG TYR A 50 -1.350 -11.964 1.430 1.00 0.00 C ATOM 519 CD1 TYR A 50 -0.172 -12.289 0.774 1.00 0.00 C ATOM 520 CD2 TYR A 50 -2.024 -12.972 2.106 1.00 0.00 C ATOM 521 CE1 TYR A 50 0.321 -13.577 0.788 1.00 0.00 C ATOM 522 CE2 TYR A 50 -1.539 -14.264 2.126 1.00 0.00 C ATOM 523 CZ TYR A 50 -0.365 -14.563 1.465 1.00 0.00 C ATOM 524 OH TYR A 50 0.120 -15.849 1.481 1.00 0.00 O ATOM 0 H TYR A 50 0.015 -10.588 3.524 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.544 -8.882 1.179 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.819 -10.517 1.969 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.119 -10.277 0.380 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.369 -11.520 0.243 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.943 -12.741 2.625 1.00 0.00 H new ATOM 0 HE1 TYR A 50 1.240 -13.812 0.271 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -2.075 -15.037 2.656 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.482 -16.419 2.003 1.00 0.00 H new ATOM 534 N VAL A 51 -2.501 -7.728 2.465 1.00 0.00 N ATOM 535 CA VAL A 51 -3.276 -6.828 3.309 1.00 0.00 C ATOM 536 C VAL A 51 -4.391 -7.584 4.024 1.00 0.00 C ATOM 537 O VAL A 51 -5.232 -8.219 3.388 1.00 0.00 O ATOM 538 CB VAL A 51 -3.880 -5.670 2.492 1.00 0.00 C ATOM 539 CG1 VAL A 51 -4.694 -4.744 3.385 1.00 0.00 C ATOM 540 CG2 VAL A 51 -2.781 -4.897 1.777 1.00 0.00 C ATOM 0 H VAL A 51 -2.659 -7.610 1.464 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.593 -6.410 4.049 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.550 -6.092 1.743 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.110 -3.934 2.786 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.505 -5.306 3.849 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.051 -4.328 4.160 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.223 -4.082 1.204 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.086 -4.489 2.511 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.245 -5.566 1.103 1.00 0.00 H new ATOM 550 N LYS A 52 -4.384 -7.515 5.351 1.00 0.00 N ATOM 551 CA LYS A 52 -5.388 -8.195 6.156 1.00 0.00 C ATOM 552 C LYS A 52 -6.620 -7.329 6.354 1.00 0.00 C ATOM 553 O LYS A 52 -7.736 -7.834 6.479 1.00 0.00 O ATOM 554 CB LYS A 52 -4.802 -8.580 7.516 1.00 0.00 C ATOM 555 CG LYS A 52 -4.183 -7.410 8.263 1.00 0.00 C ATOM 556 CD LYS A 52 -4.350 -7.560 9.767 1.00 0.00 C ATOM 557 CE LYS A 52 -3.647 -8.804 10.286 1.00 0.00 C ATOM 558 NZ LYS A 52 -4.468 -9.525 11.297 1.00 0.00 N ATOM 0 H LYS A 52 -3.693 -6.994 5.891 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.688 -9.096 5.621 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.588 -9.018 8.131 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.044 -9.350 7.371 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.123 -7.340 8.018 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.648 -6.480 7.935 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.949 -6.679 10.268 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.411 -7.611 10.013 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.429 -9.472 9.453 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.691 -8.523 10.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.953 -10.367 11.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.655 -8.897 12.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.370 -9.816 10.868 1.00 0.00 H new ATOM 572 N ASN A 53 -6.410 -6.024 6.384 1.00 0.00 N ATOM 573 CA ASN A 53 -7.510 -5.083 6.572 1.00 0.00 C ATOM 574 C ASN A 53 -7.114 -3.670 6.155 1.00 0.00 C ATOM 575 O ASN A 53 -5.966 -3.259 6.321 1.00 0.00 O ATOM 576 CB ASN A 53 -7.962 -5.083 8.033 1.00 0.00 C ATOM 577 CG ASN A 53 -8.914 -6.222 8.345 1.00 0.00 C ATOM 578 OD1 ASN A 53 -10.111 -6.138 8.072 1.00 0.00 O ATOM 579 ND2 ASN A 53 -8.383 -7.294 8.921 1.00 0.00 N ATOM 0 H ASN A 53 -5.493 -5.589 6.281 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.334 -5.406 5.936 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.088 -5.156 8.681 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.448 -4.134 8.260 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.973 -8.092 9.155 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.385 -7.319 9.129 1.00 0.00 H new ATOM 586 N ILE A 54 -8.080 -2.934 5.613 1.00 0.00 N ATOM 587 CA ILE A 54 -7.847 -1.567 5.170 1.00 0.00 C ATOM 588 C ILE A 54 -8.873 -0.614 5.778 1.00 0.00 C ATOM 589 O ILE A 54 -10.071 -0.896 5.780 1.00 0.00 O ATOM 590 CB ILE A 54 -7.913 -1.468 3.636 1.00 0.00 C ATOM 591 CG1 ILE A 54 -7.021 -2.548 3.007 1.00 0.00 C ATOM 592 CG2 ILE A 54 -7.517 -0.068 3.177 1.00 0.00 C ATOM 593 CD1 ILE A 54 -6.375 -2.149 1.695 1.00 0.00 C ATOM 0 H ILE A 54 -9.034 -3.265 5.471 1.00 0.00 H new ATOM 0 HA ILE A 54 -6.850 -1.282 5.505 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.937 -1.642 3.304 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.237 -2.812 3.717 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.619 -3.445 2.844 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.569 -0.013 2.090 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.200 0.663 3.610 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.500 0.148 3.503 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.764 -2.972 1.325 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.149 -1.915 0.965 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.746 -1.272 1.851 1.00 0.00 H new ATOM 605 N ARG A 55 -8.396 0.513 6.295 1.00 0.00 N ATOM 606 CA ARG A 55 -9.273 1.507 6.906 1.00 0.00 C ATOM 607 C ARG A 55 -10.213 2.114 5.866 1.00 0.00 C ATOM 608 O ARG A 55 -9.832 2.306 4.712 1.00 0.00 O ATOM 609 CB ARG A 55 -8.446 2.608 7.572 1.00 0.00 C ATOM 610 CG ARG A 55 -8.869 2.904 9.004 1.00 0.00 C ATOM 611 CD ARG A 55 -7.699 2.790 9.969 1.00 0.00 C ATOM 612 NE ARG A 55 -7.998 3.393 11.266 1.00 0.00 N ATOM 613 CZ ARG A 55 -7.321 3.127 12.380 1.00 0.00 C ATOM 614 NH1 ARG A 55 -6.311 2.265 12.364 1.00 0.00 N ATOM 615 NH2 ARG A 55 -7.654 3.723 13.517 1.00 0.00 N ATOM 0 H ARG A 55 -7.407 0.762 6.304 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.875 1.008 7.666 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -7.396 2.317 7.565 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -8.528 3.520 6.981 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.290 3.908 9.059 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.656 2.211 9.302 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.445 1.739 10.108 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.824 3.275 9.537 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.771 4.057 11.320 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.050 1.802 11.494 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.797 2.066 13.222 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.429 4.385 13.538 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.135 3.519 14.371 1.00 0.00 H new ATOM 629 N PRO A 56 -11.459 2.427 6.264 1.00 0.00 N ATOM 630 CA PRO A 56 -12.452 3.014 5.358 1.00 0.00 C ATOM 631 C PRO A 56 -12.127 4.461 4.999 1.00 0.00 C ATOM 632 O PRO A 56 -11.623 5.217 5.831 1.00 0.00 O ATOM 633 CB PRO A 56 -13.751 2.943 6.163 1.00 0.00 C ATOM 634 CG PRO A 56 -13.314 2.957 7.585 1.00 0.00 C ATOM 635 CD PRO A 56 -11.998 2.230 7.624 1.00 0.00 C ATOM 0 HA PRO A 56 -12.495 2.488 4.405 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -14.402 3.788 5.940 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.313 2.038 5.930 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.206 3.979 7.949 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.049 2.467 8.223 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.333 2.642 8.383 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.129 1.173 7.855 1.00 0.00 H new ATOM 643 N ALA A 57 -12.423 4.834 3.756 1.00 0.00 N ATOM 644 CA ALA A 57 -12.170 6.189 3.266 1.00 0.00 C ATOM 645 C ALA A 57 -10.848 6.748 3.788 1.00 0.00 C ATOM 646 O ALA A 57 -10.722 7.948 4.031 1.00 0.00 O ATOM 647 CB ALA A 57 -13.319 7.109 3.655 1.00 0.00 C ATOM 0 H ALA A 57 -12.842 4.212 3.064 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.098 6.138 2.180 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.121 8.115 3.285 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.246 6.738 3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -13.414 7.133 4.741 1.00 0.00 H new ATOM 653 N GLY A 58 -9.865 5.869 3.954 1.00 0.00 N ATOM 654 CA GLY A 58 -8.565 6.293 4.441 1.00 0.00 C ATOM 655 C GLY A 58 -7.495 6.219 3.370 1.00 0.00 C ATOM 656 O GLY A 58 -7.807 6.043 2.191 1.00 0.00 O ATOM 0 H GLY A 58 -9.945 4.871 3.760 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.635 7.316 4.811 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.274 5.667 5.285 1.00 0.00 H new ATOM 660 N PRO A 59 -6.212 6.349 3.749 1.00 0.00 N ATOM 661 CA PRO A 59 -5.099 6.292 2.796 1.00 0.00 C ATOM 662 C PRO A 59 -5.155 5.044 1.920 1.00 0.00 C ATOM 663 O PRO A 59 -4.871 5.101 0.723 1.00 0.00 O ATOM 664 CB PRO A 59 -3.861 6.257 3.697 1.00 0.00 C ATOM 665 CG PRO A 59 -4.295 6.911 4.962 1.00 0.00 C ATOM 666 CD PRO A 59 -5.747 6.560 5.132 1.00 0.00 C ATOM 0 HA PRO A 59 -5.112 7.131 2.101 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.529 5.234 3.874 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -3.025 6.789 3.243 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -3.706 6.555 5.807 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -4.158 7.991 4.910 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.875 5.664 5.740 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.299 7.361 5.624 1.00 0.00 H new ATOM 674 N GLY A 60 -5.523 3.921 2.526 1.00 0.00 N ATOM 675 CA GLY A 60 -5.613 2.673 1.789 1.00 0.00 C ATOM 676 C GLY A 60 -6.830 2.615 0.888 1.00 0.00 C ATOM 677 O GLY A 60 -6.770 2.062 -0.212 1.00 0.00 O ATOM 0 H GLY A 60 -5.761 3.852 3.515 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.713 2.545 1.187 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.647 1.841 2.493 1.00 0.00 H new ATOM 681 N ASP A 61 -7.937 3.191 1.348 1.00 0.00 N ATOM 682 CA ASP A 61 -9.169 3.205 0.571 1.00 0.00 C ATOM 683 C ASP A 61 -9.053 4.189 -0.582 1.00 0.00 C ATOM 684 O ASP A 61 -9.622 3.981 -1.653 1.00 0.00 O ATOM 685 CB ASP A 61 -10.357 3.577 1.462 1.00 0.00 C ATOM 686 CG ASP A 61 -11.685 3.179 0.848 1.00 0.00 C ATOM 687 OD1 ASP A 61 -12.198 3.938 -0.001 1.00 0.00 O ATOM 688 OD2 ASP A 61 -12.212 2.109 1.216 1.00 0.00 O ATOM 0 H ASP A 61 -8.005 3.654 2.255 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.335 2.207 0.166 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.247 3.091 2.431 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.350 4.652 1.642 1.00 0.00 H new ATOM 693 N LEU A 62 -8.308 5.265 -0.352 1.00 0.00 N ATOM 694 CA LEU A 62 -8.110 6.286 -1.366 1.00 0.00 C ATOM 695 C LEU A 62 -7.094 5.826 -2.407 1.00 0.00 C ATOM 696 O LEU A 62 -7.172 6.205 -3.575 1.00 0.00 O ATOM 697 CB LEU A 62 -7.647 7.595 -0.725 1.00 0.00 C ATOM 698 CG LEU A 62 -8.686 8.284 0.161 1.00 0.00 C ATOM 699 CD1 LEU A 62 -8.054 9.435 0.929 1.00 0.00 C ATOM 700 CD2 LEU A 62 -9.857 8.777 -0.676 1.00 0.00 C ATOM 0 H LEU A 62 -7.832 5.450 0.531 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.064 6.456 -1.865 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.758 7.395 -0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.351 8.285 -1.516 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.061 7.557 0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.808 9.913 1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.250 9.054 1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.650 10.164 0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.587 9.265 -0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.499 9.489 -1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.326 7.931 -1.179 1.00 0.00 H new ATOM 712 N GLY A 63 -6.145 5.003 -1.975 1.00 0.00 N ATOM 713 CA GLY A 63 -5.128 4.502 -2.880 1.00 0.00 C ATOM 714 C GLY A 63 -5.677 3.480 -3.856 1.00 0.00 C ATOM 715 O GLY A 63 -5.429 3.567 -5.059 1.00 0.00 O ATOM 0 H GLY A 63 -6.062 4.674 -1.013 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.697 5.335 -3.435 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.321 4.052 -2.302 1.00 0.00 H new ATOM 719 N GLY A 64 -6.427 2.513 -3.338 1.00 0.00 N ATOM 720 CA GLY A 64 -7.003 1.487 -4.187 1.00 0.00 C ATOM 721 C GLY A 64 -6.510 0.096 -3.835 1.00 0.00 C ATOM 722 O GLY A 64 -6.330 -0.747 -4.715 1.00 0.00 O ATOM 0 H GLY A 64 -6.646 2.422 -2.346 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.089 1.516 -4.101 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.760 1.702 -5.227 1.00 0.00 H new ATOM 726 N LEU A 65 -6.291 -0.143 -2.547 1.00 0.00 N ATOM 727 CA LEU A 65 -5.815 -1.440 -2.082 1.00 0.00 C ATOM 728 C LEU A 65 -6.982 -2.358 -1.735 1.00 0.00 C ATOM 729 O LEU A 65 -7.834 -2.012 -0.917 1.00 0.00 O ATOM 730 CB LEU A 65 -4.913 -1.265 -0.859 1.00 0.00 C ATOM 731 CG LEU A 65 -3.601 -0.528 -1.120 1.00 0.00 C ATOM 732 CD1 LEU A 65 -3.121 0.168 0.143 1.00 0.00 C ATOM 733 CD2 LEU A 65 -2.543 -1.492 -1.635 1.00 0.00 C ATOM 0 H LEU A 65 -6.435 0.544 -1.807 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.243 -1.898 -2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.468 -0.725 -0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.683 -2.250 -0.453 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.776 0.230 -1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.185 0.688 -0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.872 0.887 0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.961 -0.572 0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.614 -0.950 -1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.370 -2.272 -0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.886 -1.945 -2.565 1.00 0.00 H new ATOM 745 N LYS A 66 -7.014 -3.529 -2.360 1.00 0.00 N ATOM 746 CA LYS A 66 -8.076 -4.498 -2.115 1.00 0.00 C ATOM 747 C LYS A 66 -7.589 -5.617 -1.196 1.00 0.00 C ATOM 748 O LYS A 66 -6.389 -5.886 -1.115 1.00 0.00 O ATOM 749 CB LYS A 66 -8.574 -5.084 -3.436 1.00 0.00 C ATOM 750 CG LYS A 66 -9.348 -4.092 -4.289 1.00 0.00 C ATOM 751 CD LYS A 66 -8.460 -2.949 -4.753 1.00 0.00 C ATOM 752 CE LYS A 66 -8.926 -2.386 -6.085 1.00 0.00 C ATOM 753 NZ LYS A 66 -9.761 -1.166 -5.912 1.00 0.00 N ATOM 0 H LYS A 66 -6.317 -3.831 -3.040 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.900 -3.982 -1.623 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.720 -5.451 -4.005 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.210 -5.943 -3.225 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.767 -4.604 -5.155 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.186 -3.694 -3.717 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.461 -2.159 -4.003 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -7.432 -3.300 -4.845 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -8.059 -2.148 -6.701 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.498 -3.144 -6.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -10.058 -0.814 -6.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.602 -1.398 -5.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -9.207 -0.432 -5.425 1.00 0.00 H new ATOM 767 N PRO A 67 -8.515 -6.290 -0.490 1.00 0.00 N ATOM 768 CA PRO A 67 -8.169 -7.384 0.422 1.00 0.00 C ATOM 769 C PRO A 67 -7.294 -8.439 -0.248 1.00 0.00 C ATOM 770 O PRO A 67 -7.546 -8.830 -1.389 1.00 0.00 O ATOM 771 CB PRO A 67 -9.527 -7.975 0.804 1.00 0.00 C ATOM 772 CG PRO A 67 -10.492 -6.856 0.621 1.00 0.00 C ATOM 773 CD PRO A 67 -9.968 -6.038 -0.528 1.00 0.00 C ATOM 0 HA PRO A 67 -7.589 -7.035 1.277 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.781 -8.825 0.170 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.527 -8.334 1.833 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.491 -7.234 0.406 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.567 -6.254 1.526 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.406 -6.350 -1.476 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.196 -4.979 -0.405 1.00 0.00 H new ATOM 781 N TYR A 68 -6.262 -8.886 0.468 1.00 0.00 N ATOM 782 CA TYR A 68 -5.326 -9.893 -0.041 1.00 0.00 C ATOM 783 C TYR A 68 -4.215 -9.242 -0.863 1.00 0.00 C ATOM 784 O TYR A 68 -3.412 -9.932 -1.487 1.00 0.00 O ATOM 785 CB TYR A 68 -6.045 -10.954 -0.883 1.00 0.00 C ATOM 786 CG TYR A 68 -7.353 -11.420 -0.284 1.00 0.00 C ATOM 787 CD1 TYR A 68 -7.408 -11.917 1.011 1.00 0.00 C ATOM 788 CD2 TYR A 68 -8.533 -11.363 -1.014 1.00 0.00 C ATOM 789 CE1 TYR A 68 -8.600 -12.345 1.563 1.00 0.00 C ATOM 790 CE2 TYR A 68 -9.729 -11.788 -0.470 1.00 0.00 C ATOM 791 CZ TYR A 68 -9.758 -12.278 0.819 1.00 0.00 C ATOM 792 OH TYR A 68 -10.948 -12.704 1.363 1.00 0.00 O ATOM 0 H TYR A 68 -6.051 -8.563 1.412 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.882 -10.385 0.824 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.234 -10.549 -1.877 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.386 -11.813 -1.009 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.503 -11.970 1.598 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.515 -10.980 -2.024 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.624 -12.730 2.572 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.638 -11.737 -1.051 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.667 -12.588 0.708 1.00 0.00 H new ATOM 802 N ASP A 69 -4.180 -7.909 -0.855 1.00 0.00 N ATOM 803 CA ASP A 69 -3.173 -7.155 -1.594 1.00 0.00 C ATOM 804 C ASP A 69 -1.767 -7.620 -1.231 1.00 0.00 C ATOM 805 O ASP A 69 -1.118 -7.053 -0.352 1.00 0.00 O ATOM 806 CB ASP A 69 -3.321 -5.659 -1.307 1.00 0.00 C ATOM 807 CG ASP A 69 -4.126 -4.944 -2.372 1.00 0.00 C ATOM 808 OD1 ASP A 69 -4.897 -5.618 -3.088 1.00 0.00 O ATOM 809 OD2 ASP A 69 -3.986 -3.708 -2.490 1.00 0.00 O ATOM 0 H ASP A 69 -4.843 -7.329 -0.341 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.327 -7.333 -2.658 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.803 -5.523 -0.339 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.332 -5.206 -1.237 1.00 0.00 H new ATOM 814 N ARG A 70 -1.309 -8.658 -1.914 1.00 0.00 N ATOM 815 CA ARG A 70 0.012 -9.215 -1.674 1.00 0.00 C ATOM 816 C ARG A 70 1.095 -8.280 -2.207 1.00 0.00 C ATOM 817 O ARG A 70 1.413 -8.299 -3.395 1.00 0.00 O ATOM 818 CB ARG A 70 0.116 -10.588 -2.334 1.00 0.00 C ATOM 819 CG ARG A 70 1.493 -11.228 -2.225 1.00 0.00 C ATOM 820 CD ARG A 70 1.742 -12.207 -3.361 1.00 0.00 C ATOM 821 NE ARG A 70 2.996 -12.937 -3.189 1.00 0.00 N ATOM 822 CZ ARG A 70 3.122 -14.029 -2.439 1.00 0.00 C ATOM 823 NH1 ARG A 70 2.077 -14.522 -1.787 1.00 0.00 N ATOM 824 NH2 ARG A 70 4.301 -14.628 -2.338 1.00 0.00 N ATOM 0 H ARG A 70 -1.838 -9.134 -2.644 1.00 0.00 H new ATOM 0 HA ARG A 70 0.161 -9.324 -0.600 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.619 -11.253 -1.881 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -0.146 -10.493 -3.388 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.258 -10.452 -2.237 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.580 -11.747 -1.270 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.915 -12.915 -3.417 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.764 -11.666 -4.307 1.00 0.00 H new ATOM 0 HE ARG A 70 3.824 -12.589 -3.672 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.169 -14.064 -1.859 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.182 -15.359 -1.214 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.109 -14.252 -2.835 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.400 -15.465 -1.764 1.00 0.00 H new ATOM 838 N LEU A 71 1.653 -7.462 -1.320 1.00 0.00 N ATOM 839 CA LEU A 71 2.698 -6.516 -1.700 1.00 0.00 C ATOM 840 C LEU A 71 3.841 -7.221 -2.419 1.00 0.00 C ATOM 841 O LEU A 71 4.617 -7.955 -1.807 1.00 0.00 O ATOM 842 CB LEU A 71 3.227 -5.787 -0.463 1.00 0.00 C ATOM 843 CG LEU A 71 2.272 -4.751 0.135 1.00 0.00 C ATOM 844 CD1 LEU A 71 1.740 -5.225 1.479 1.00 0.00 C ATOM 845 CD2 LEU A 71 2.965 -3.404 0.278 1.00 0.00 C ATOM 0 H LEU A 71 1.399 -7.435 -0.332 1.00 0.00 H new ATOM 0 HA LEU A 71 2.262 -5.788 -2.384 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.463 -6.526 0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.161 -5.290 -0.725 1.00 0.00 H new ATOM 0 HG LEU A 71 1.428 -4.632 -0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.063 -4.475 1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.203 -6.164 1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.572 -5.376 2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.270 -2.681 0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.829 -3.507 0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.293 -3.058 -0.702 1.00 0.00 H new ATOM 857 N LEU A 72 3.934 -6.997 -3.725 1.00 0.00 N ATOM 858 CA LEU A 72 4.976 -7.614 -4.536 1.00 0.00 C ATOM 859 C LEU A 72 6.285 -6.841 -4.440 1.00 0.00 C ATOM 860 O LEU A 72 7.295 -7.372 -3.983 1.00 0.00 O ATOM 861 CB LEU A 72 4.531 -7.703 -5.995 1.00 0.00 C ATOM 862 CG LEU A 72 3.321 -8.604 -6.245 1.00 0.00 C ATOM 863 CD1 LEU A 72 2.069 -7.768 -6.460 1.00 0.00 C ATOM 864 CD2 LEU A 72 3.569 -9.514 -7.439 1.00 0.00 C ATOM 0 H LEU A 72 3.299 -6.392 -4.245 1.00 0.00 H new ATOM 0 HA LEU A 72 5.145 -8.619 -4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.298 -6.699 -6.350 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.366 -8.067 -6.593 1.00 0.00 H new ATOM 0 HG LEU A 72 3.170 -9.228 -5.365 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.218 -8.426 -6.636 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.881 -7.161 -5.575 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.210 -7.117 -7.323 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.697 -10.147 -7.601 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.748 -8.908 -8.327 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.441 -10.139 -7.245 1.00 0.00 H new ATOM 876 N GLN A 73 6.269 -5.588 -4.881 1.00 0.00 N ATOM 877 CA GLN A 73 7.464 -4.758 -4.845 1.00 0.00 C ATOM 878 C GLN A 73 7.158 -3.371 -4.290 1.00 0.00 C ATOM 879 O GLN A 73 6.222 -2.705 -4.734 1.00 0.00 O ATOM 880 CB GLN A 73 8.070 -4.642 -6.244 1.00 0.00 C ATOM 881 CG GLN A 73 8.437 -5.981 -6.860 1.00 0.00 C ATOM 882 CD GLN A 73 8.939 -5.848 -8.285 1.00 0.00 C ATOM 883 OE1 GLN A 73 8.473 -6.547 -9.186 1.00 0.00 O ATOM 884 NE2 GLN A 73 9.891 -4.949 -8.496 1.00 0.00 N ATOM 0 H GLN A 73 5.444 -5.127 -5.266 1.00 0.00 H new ATOM 0 HA GLN A 73 8.185 -5.236 -4.182 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.361 -4.133 -6.897 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.962 -4.018 -6.194 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.204 -6.459 -6.251 1.00 0.00 H new ATOM 0 HG3 GLN A 73 7.565 -6.635 -6.845 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.247 -4.392 -7.720 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.267 -4.815 -9.435 1.00 0.00 H new ATOM 893 N VAL A 74 7.959 -2.941 -3.321 1.00 0.00 N ATOM 894 CA VAL A 74 7.784 -1.633 -2.704 1.00 0.00 C ATOM 895 C VAL A 74 8.962 -0.721 -3.025 1.00 0.00 C ATOM 896 O VAL A 74 10.085 -0.965 -2.586 1.00 0.00 O ATOM 897 CB VAL A 74 7.639 -1.748 -1.174 1.00 0.00 C ATOM 898 CG1 VAL A 74 7.243 -0.408 -0.573 1.00 0.00 C ATOM 899 CG2 VAL A 74 6.628 -2.827 -0.810 1.00 0.00 C ATOM 0 H VAL A 74 8.738 -3.482 -2.946 1.00 0.00 H new ATOM 0 HA VAL A 74 6.869 -1.205 -3.114 1.00 0.00 H new ATOM 0 HB VAL A 74 8.604 -2.035 -0.757 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.145 -0.509 0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.009 0.333 -0.801 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.291 -0.087 -0.995 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.540 -2.892 0.274 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.658 -2.576 -1.238 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.962 -3.786 -1.205 1.00 0.00 H new ATOM 909 N ASN A 75 8.704 0.327 -3.800 1.00 0.00 N ATOM 910 CA ASN A 75 9.749 1.268 -4.182 1.00 0.00 C ATOM 911 C ASN A 75 10.776 0.593 -5.088 1.00 0.00 C ATOM 912 O ASN A 75 11.952 0.956 -5.089 1.00 0.00 O ATOM 913 CB ASN A 75 10.440 1.844 -2.940 1.00 0.00 C ATOM 914 CG ASN A 75 9.919 3.220 -2.577 1.00 0.00 C ATOM 915 OD1 ASN A 75 10.218 4.207 -3.249 1.00 0.00 O ATOM 916 ND2 ASN A 75 9.135 3.293 -1.508 1.00 0.00 N ATOM 0 H ASN A 75 7.781 0.546 -4.175 1.00 0.00 H new ATOM 0 HA ASN A 75 9.283 2.086 -4.732 1.00 0.00 H new ATOM 0 HB2 ASN A 75 10.291 1.168 -2.098 1.00 0.00 H new ATOM 0 HB3 ASN A 75 11.514 1.900 -3.118 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.755 4.193 -1.215 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.913 2.449 -0.980 1.00 0.00 H new ATOM 923 N HIS A 76 10.312 -0.392 -5.861 1.00 0.00 N ATOM 924 CA HIS A 76 11.166 -1.138 -6.789 1.00 0.00 C ATOM 925 C HIS A 76 11.843 -2.329 -6.109 1.00 0.00 C ATOM 926 O HIS A 76 12.411 -3.189 -6.781 1.00 0.00 O ATOM 927 CB HIS A 76 12.224 -0.227 -7.424 1.00 0.00 C ATOM 928 CG HIS A 76 12.429 -0.478 -8.885 1.00 0.00 C ATOM 929 ND1 HIS A 76 13.398 -1.331 -9.375 1.00 0.00 N ATOM 930 CD2 HIS A 76 11.784 0.016 -9.969 1.00 0.00 C ATOM 931 CE1 HIS A 76 13.339 -1.349 -10.694 1.00 0.00 C ATOM 932 NE2 HIS A 76 12.369 -0.542 -11.080 1.00 0.00 N ATOM 0 H HIS A 76 9.338 -0.694 -5.862 1.00 0.00 H new ATOM 0 HA HIS A 76 10.515 -1.522 -7.575 1.00 0.00 H new ATOM 0 HB2 HIS A 76 11.930 0.813 -7.280 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.171 -0.366 -6.903 1.00 0.00 H new ATOM 0 HD2 HIS A 76 10.963 0.718 -9.961 1.00 0.00 H new ATOM 0 HE1 HIS A 76 13.977 -1.927 -11.347 1.00 0.00 H new ATOM 0 HE2 HIS A 76 12.097 -0.362 -12.047 1.00 0.00 H new ATOM 941 N VAL A 77 11.783 -2.384 -4.779 1.00 0.00 N ATOM 942 CA VAL A 77 12.399 -3.483 -4.041 1.00 0.00 C ATOM 943 C VAL A 77 11.466 -4.690 -3.974 1.00 0.00 C ATOM 944 O VAL A 77 10.251 -4.543 -3.850 1.00 0.00 O ATOM 945 CB VAL A 77 12.804 -3.057 -2.611 1.00 0.00 C ATOM 946 CG1 VAL A 77 11.596 -3.005 -1.683 1.00 0.00 C ATOM 947 CG2 VAL A 77 13.866 -3.997 -2.059 1.00 0.00 C ATOM 0 H VAL A 77 11.319 -1.687 -4.196 1.00 0.00 H new ATOM 0 HA VAL A 77 13.302 -3.762 -4.584 1.00 0.00 H new ATOM 0 HB VAL A 77 13.221 -2.052 -2.666 1.00 0.00 H new ATOM 0 HG11 VAL A 77 11.916 -2.702 -0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.873 -2.285 -2.067 1.00 0.00 H new ATOM 0 HG13 VAL A 77 11.134 -3.991 -1.632 1.00 0.00 H new ATOM 0 HG21 VAL A 77 14.141 -3.684 -1.052 1.00 0.00 H new ATOM 0 HG22 VAL A 77 13.472 -5.013 -2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 77 14.747 -3.968 -2.701 1.00 0.00 H new ATOM 957 N ARG A 78 12.044 -5.885 -4.057 1.00 0.00 N ATOM 958 CA ARG A 78 11.260 -7.116 -4.006 1.00 0.00 C ATOM 959 C ARG A 78 10.693 -7.342 -2.607 1.00 0.00 C ATOM 960 O ARG A 78 11.431 -7.360 -1.622 1.00 0.00 O ATOM 961 CB ARG A 78 12.120 -8.310 -4.425 1.00 0.00 C ATOM 962 CG ARG A 78 11.883 -8.754 -5.859 1.00 0.00 C ATOM 963 CD ARG A 78 12.812 -9.892 -6.249 1.00 0.00 C ATOM 964 NE ARG A 78 12.370 -11.172 -5.701 1.00 0.00 N ATOM 965 CZ ARG A 78 11.394 -11.910 -6.230 1.00 0.00 C ATOM 966 NH1 ARG A 78 10.758 -11.498 -7.319 1.00 0.00 N ATOM 967 NH2 ARG A 78 11.056 -13.060 -5.666 1.00 0.00 N ATOM 0 H ARG A 78 13.049 -6.027 -4.160 1.00 0.00 H new ATOM 0 HA ARG A 78 10.427 -7.018 -4.702 1.00 0.00 H new ATOM 0 HB2 ARG A 78 13.172 -8.051 -4.302 1.00 0.00 H new ATOM 0 HB3 ARG A 78 11.917 -9.146 -3.756 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.847 -9.072 -5.976 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.036 -7.911 -6.532 1.00 0.00 H new ATOM 0 HD2 ARG A 78 12.864 -9.961 -7.336 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.820 -9.675 -5.895 1.00 0.00 H new ATOM 0 HE ARG A 78 12.836 -11.522 -4.864 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.015 -10.613 -7.756 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.012 -12.067 -7.720 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.542 -13.380 -4.828 1.00 0.00 H new ATOM 0 HH22 ARG A 78 10.309 -13.626 -6.069 1.00 0.00 H new ATOM 981 N THR A 79 9.378 -7.516 -2.529 1.00 0.00 N ATOM 982 CA THR A 79 8.712 -7.741 -1.251 1.00 0.00 C ATOM 983 C THR A 79 7.511 -8.674 -1.406 1.00 0.00 C ATOM 984 O THR A 79 6.626 -8.704 -0.551 1.00 0.00 O ATOM 985 CB THR A 79 8.262 -6.410 -0.647 1.00 0.00 C ATOM 986 OG1 THR A 79 7.262 -5.808 -1.453 1.00 0.00 O ATOM 987 CG2 THR A 79 9.388 -5.412 -0.491 1.00 0.00 C ATOM 0 H THR A 79 8.753 -7.506 -3.335 1.00 0.00 H new ATOM 0 HA THR A 79 9.428 -8.217 -0.581 1.00 0.00 H new ATOM 0 HB THR A 79 7.878 -6.656 0.343 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.401 -5.841 -0.985 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.000 -4.490 -0.057 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.154 -5.827 0.164 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.823 -5.198 -1.467 1.00 0.00 H new ATOM 995 N ARG A 80 7.484 -9.437 -2.498 1.00 0.00 N ATOM 996 CA ARG A 80 6.390 -10.368 -2.749 1.00 0.00 C ATOM 997 C ARG A 80 6.387 -11.486 -1.711 1.00 0.00 C ATOM 998 O ARG A 80 5.372 -11.747 -1.064 1.00 0.00 O ATOM 999 CB ARG A 80 6.505 -10.957 -4.157 1.00 0.00 C ATOM 1000 CG ARG A 80 5.207 -10.901 -4.948 1.00 0.00 C ATOM 1001 CD ARG A 80 5.006 -12.157 -5.782 1.00 0.00 C ATOM 1002 NE ARG A 80 3.593 -12.449 -6.004 1.00 0.00 N ATOM 1003 CZ ARG A 80 3.131 -13.641 -6.372 1.00 0.00 C ATOM 1004 NH1 ARG A 80 3.966 -14.656 -6.562 1.00 0.00 N ATOM 1005 NH2 ARG A 80 1.828 -13.821 -6.552 1.00 0.00 N ATOM 0 H ARG A 80 8.205 -9.428 -3.219 1.00 0.00 H new ATOM 0 HA ARG A 80 5.450 -9.821 -2.672 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.278 -10.419 -4.705 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.831 -11.994 -4.082 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.368 -10.780 -4.263 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.215 -10.028 -5.600 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.506 -12.037 -6.743 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.476 -13.003 -5.281 1.00 0.00 H new ATOM 0 HE ARG A 80 2.920 -11.694 -5.869 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.968 -14.524 -6.426 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.605 -15.567 -6.844 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.181 -13.045 -6.408 1.00 0.00 H new ATOM 0 HH22 ARG A 80 1.474 -14.735 -6.834 1.00 0.00 H new ATOM 1019 N ASP A 81 7.534 -12.141 -1.557 1.00 0.00 N ATOM 1020 CA ASP A 81 7.673 -13.231 -0.597 1.00 0.00 C ATOM 1021 C ASP A 81 8.235 -12.730 0.731 1.00 0.00 C ATOM 1022 O ASP A 81 8.912 -13.468 1.446 1.00 0.00 O ATOM 1023 CB ASP A 81 8.580 -14.323 -1.165 1.00 0.00 C ATOM 1024 CG ASP A 81 9.964 -13.807 -1.503 1.00 0.00 C ATOM 1025 OD1 ASP A 81 10.097 -13.076 -2.507 1.00 0.00 O ATOM 1026 OD2 ASP A 81 10.916 -14.132 -0.762 1.00 0.00 O ATOM 0 H ASP A 81 8.382 -11.935 -2.086 1.00 0.00 H new ATOM 0 HA ASP A 81 6.681 -13.644 -0.414 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.664 -15.134 -0.442 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.122 -14.742 -2.061 1.00 0.00 H new ATOM 1031 N PHE A 82 7.954 -11.471 1.057 1.00 0.00 N ATOM 1032 CA PHE A 82 8.435 -10.879 2.299 1.00 0.00 C ATOM 1033 C PHE A 82 7.548 -11.282 3.470 1.00 0.00 C ATOM 1034 O PHE A 82 6.489 -11.881 3.283 1.00 0.00 O ATOM 1035 CB PHE A 82 8.476 -9.352 2.174 1.00 0.00 C ATOM 1036 CG PHE A 82 9.832 -8.805 1.816 1.00 0.00 C ATOM 1037 CD1 PHE A 82 10.720 -9.551 1.056 1.00 0.00 C ATOM 1038 CD2 PHE A 82 10.214 -7.544 2.240 1.00 0.00 C ATOM 1039 CE1 PHE A 82 11.963 -9.046 0.725 1.00 0.00 C ATOM 1040 CE2 PHE A 82 11.457 -7.034 1.912 1.00 0.00 C ATOM 1041 CZ PHE A 82 12.332 -7.787 1.154 1.00 0.00 C ATOM 0 H PHE A 82 7.396 -10.843 0.478 1.00 0.00 H new ATOM 0 HA PHE A 82 9.443 -11.250 2.487 1.00 0.00 H new ATOM 0 HB2 PHE A 82 7.758 -9.040 1.416 1.00 0.00 H new ATOM 0 HB3 PHE A 82 8.155 -8.911 3.118 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.437 -10.537 0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.534 -6.952 2.834 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.645 -9.636 0.131 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.743 -6.048 2.248 1.00 0.00 H new ATOM 0 HZ PHE A 82 13.304 -7.391 0.897 1.00 0.00 H new ATOM 1051 N ASP A 83 7.983 -10.942 4.678 1.00 0.00 N ATOM 1052 CA ASP A 83 7.223 -11.262 5.879 1.00 0.00 C ATOM 1053 C ASP A 83 6.586 -10.005 6.458 1.00 0.00 C ATOM 1054 O ASP A 83 7.043 -8.892 6.197 1.00 0.00 O ATOM 1055 CB ASP A 83 8.131 -11.918 6.924 1.00 0.00 C ATOM 1056 CG ASP A 83 8.026 -13.431 6.910 1.00 0.00 C ATOM 1057 OD1 ASP A 83 6.929 -13.947 6.615 1.00 0.00 O ATOM 1058 OD2 ASP A 83 9.043 -14.098 7.193 1.00 0.00 O ATOM 0 H ASP A 83 8.857 -10.445 4.851 1.00 0.00 H new ATOM 0 HA ASP A 83 6.432 -11.962 5.609 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.165 -11.626 6.738 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.868 -11.547 7.915 1.00 0.00 H new ATOM 1063 N CYS A 84 5.529 -10.185 7.242 1.00 0.00 N ATOM 1064 CA CYS A 84 4.833 -9.057 7.851 1.00 0.00 C ATOM 1065 C CYS A 84 5.820 -8.151 8.575 1.00 0.00 C ATOM 1066 O CYS A 84 5.698 -6.927 8.540 1.00 0.00 O ATOM 1067 CB CYS A 84 3.766 -9.554 8.829 1.00 0.00 C ATOM 1068 SG CYS A 84 4.347 -10.831 9.969 1.00 0.00 S ATOM 0 H CYS A 84 5.136 -11.098 7.470 1.00 0.00 H new ATOM 0 HA CYS A 84 4.347 -8.486 7.060 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.396 -8.707 9.407 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.922 -9.946 8.261 1.00 0.00 H new ATOM 0 HG CYS A 84 3.375 -11.185 10.756 1.00 0.00 H new ATOM 1074 N CYS A 85 6.804 -8.762 9.224 1.00 0.00 N ATOM 1075 CA CYS A 85 7.814 -8.016 9.949 1.00 0.00 C ATOM 1076 C CYS A 85 8.671 -7.185 8.997 1.00 0.00 C ATOM 1077 O CYS A 85 9.295 -6.207 9.405 1.00 0.00 O ATOM 1078 CB CYS A 85 8.700 -8.964 10.759 1.00 0.00 C ATOM 1079 SG CYS A 85 7.976 -9.485 12.333 1.00 0.00 S ATOM 0 H CYS A 85 6.920 -9.775 9.260 1.00 0.00 H new ATOM 0 HA CYS A 85 7.303 -7.337 10.632 1.00 0.00 H new ATOM 0 HB2 CYS A 85 8.912 -9.848 10.158 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.654 -8.475 10.954 1.00 0.00 H new ATOM 0 HG CYS A 85 8.797 -10.286 12.944 1.00 0.00 H new ATOM 1085 N LEU A 86 8.693 -7.578 7.726 1.00 0.00 N ATOM 1086 CA LEU A 86 9.471 -6.867 6.717 1.00 0.00 C ATOM 1087 C LEU A 86 8.597 -5.861 5.976 1.00 0.00 C ATOM 1088 O LEU A 86 9.064 -4.797 5.557 1.00 0.00 O ATOM 1089 CB LEU A 86 10.086 -7.859 5.724 1.00 0.00 C ATOM 1090 CG LEU A 86 11.589 -8.100 5.896 1.00 0.00 C ATOM 1091 CD1 LEU A 86 11.883 -9.585 6.036 1.00 0.00 C ATOM 1092 CD2 LEU A 86 12.363 -7.509 4.728 1.00 0.00 C ATOM 0 H LEU A 86 8.181 -8.385 7.371 1.00 0.00 H new ATOM 0 HA LEU A 86 10.273 -6.327 7.220 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.567 -8.813 5.818 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.905 -7.496 4.712 1.00 0.00 H new ATOM 0 HG LEU A 86 11.912 -7.601 6.809 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.956 -9.734 6.157 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.361 -9.978 6.908 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.543 -10.109 5.143 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.429 -7.690 4.869 1.00 0.00 H new ATOM 0 HD22 LEU A 86 12.035 -7.977 3.800 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.181 -6.435 4.677 1.00 0.00 H new ATOM 1104 N VAL A 87 7.321 -6.198 5.828 1.00 0.00 N ATOM 1105 CA VAL A 87 6.377 -5.332 5.143 1.00 0.00 C ATOM 1106 C VAL A 87 5.923 -4.186 6.042 1.00 0.00 C ATOM 1107 O VAL A 87 5.706 -3.071 5.571 1.00 0.00 O ATOM 1108 CB VAL A 87 5.144 -6.121 4.662 1.00 0.00 C ATOM 1109 CG1 VAL A 87 4.225 -5.233 3.836 1.00 0.00 C ATOM 1110 CG2 VAL A 87 5.576 -7.340 3.863 1.00 0.00 C ATOM 0 H VAL A 87 6.918 -7.068 6.175 1.00 0.00 H new ATOM 0 HA VAL A 87 6.895 -4.919 4.277 1.00 0.00 H new ATOM 0 HB VAL A 87 4.589 -6.461 5.536 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.361 -5.810 3.507 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.890 -4.392 4.443 1.00 0.00 H new ATOM 0 HG13 VAL A 87 4.765 -4.860 2.966 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.694 -7.888 3.530 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.154 -7.021 2.996 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.190 -7.987 4.490 1.00 0.00 H new ATOM 1120 N VAL A 88 5.779 -4.461 7.336 1.00 0.00 N ATOM 1121 CA VAL A 88 5.348 -3.435 8.276 1.00 0.00 C ATOM 1122 C VAL A 88 6.312 -2.247 8.270 1.00 0.00 C ATOM 1123 O VAL A 88 5.887 -1.101 8.124 1.00 0.00 O ATOM 1124 CB VAL A 88 5.202 -3.986 9.713 1.00 0.00 C ATOM 1125 CG1 VAL A 88 4.854 -2.872 10.691 1.00 0.00 C ATOM 1126 CG2 VAL A 88 4.145 -5.079 9.756 1.00 0.00 C ATOM 0 H VAL A 88 5.953 -5.376 7.752 1.00 0.00 H new ATOM 0 HA VAL A 88 4.365 -3.099 7.945 1.00 0.00 H new ATOM 0 HB VAL A 88 6.159 -4.413 10.012 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.757 -3.286 11.695 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.644 -2.121 10.683 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.912 -2.410 10.396 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.054 -5.457 10.774 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.187 -4.672 9.433 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.436 -5.893 9.092 1.00 0.00 H new ATOM 1136 N PRO A 89 7.628 -2.498 8.416 1.00 0.00 N ATOM 1137 CA PRO A 89 8.637 -1.435 8.413 1.00 0.00 C ATOM 1138 C PRO A 89 8.764 -0.785 7.041 1.00 0.00 C ATOM 1139 O PRO A 89 8.803 0.440 6.927 1.00 0.00 O ATOM 1140 CB PRO A 89 9.940 -2.155 8.790 1.00 0.00 C ATOM 1141 CG PRO A 89 9.521 -3.494 9.297 1.00 0.00 C ATOM 1142 CD PRO A 89 8.241 -3.818 8.586 1.00 0.00 C ATOM 0 HA PRO A 89 8.381 -0.628 9.100 1.00 0.00 H new ATOM 0 HB2 PRO A 89 10.600 -2.250 7.928 1.00 0.00 H new ATOM 0 HB3 PRO A 89 10.489 -1.601 9.551 1.00 0.00 H new ATOM 0 HG2 PRO A 89 10.283 -4.246 9.092 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.374 -3.475 10.377 1.00 0.00 H new ATOM 0 HD2 PRO A 89 8.421 -4.308 7.629 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.610 -4.486 9.172 1.00 0.00 H new ATOM 1150 N LEU A 90 8.822 -1.611 5.995 1.00 0.00 N ATOM 1151 CA LEU A 90 8.936 -1.103 4.634 1.00 0.00 C ATOM 1152 C LEU A 90 7.814 -0.109 4.336 1.00 0.00 C ATOM 1153 O LEU A 90 7.983 0.820 3.545 1.00 0.00 O ATOM 1154 CB LEU A 90 8.895 -2.256 3.629 1.00 0.00 C ATOM 1155 CG LEU A 90 10.154 -3.124 3.592 1.00 0.00 C ATOM 1156 CD1 LEU A 90 9.854 -4.478 2.960 1.00 0.00 C ATOM 1157 CD2 LEU A 90 11.267 -2.414 2.836 1.00 0.00 C ATOM 0 H LEU A 90 8.792 -2.628 6.067 1.00 0.00 H new ATOM 0 HA LEU A 90 9.892 -0.588 4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.040 -2.891 3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.725 -1.845 2.634 1.00 0.00 H new ATOM 0 HG LEU A 90 10.487 -3.292 4.616 1.00 0.00 H new ATOM 0 HD11 LEU A 90 10.762 -5.081 2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 90 9.089 -4.990 3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.496 -4.332 1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 90 12.155 -3.045 2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 90 10.944 -2.215 1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.501 -1.472 3.332 1.00 0.00 H new ATOM 1169 N ILE A 91 6.672 -0.317 4.981 1.00 0.00 N ATOM 1170 CA ILE A 91 5.514 0.552 4.803 1.00 0.00 C ATOM 1171 C ILE A 91 5.663 1.841 5.615 1.00 0.00 C ATOM 1172 O ILE A 91 5.455 2.939 5.098 1.00 0.00 O ATOM 1173 CB ILE A 91 4.213 -0.184 5.215 1.00 0.00 C ATOM 1174 CG1 ILE A 91 3.915 -1.316 4.231 1.00 0.00 C ATOM 1175 CG2 ILE A 91 3.021 0.767 5.293 1.00 0.00 C ATOM 1176 CD1 ILE A 91 2.942 -2.342 4.769 1.00 0.00 C ATOM 0 H ILE A 91 6.523 -1.085 5.636 1.00 0.00 H new ATOM 0 HA ILE A 91 5.454 0.815 3.747 1.00 0.00 H new ATOM 0 HB ILE A 91 4.371 -0.599 6.211 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.512 -0.891 3.312 1.00 0.00 H new ATOM 0 HG13 ILE A 91 4.848 -1.814 3.969 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.130 0.211 5.585 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.222 1.543 6.032 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.858 1.227 4.318 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.777 -3.115 4.019 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.352 -2.794 5.672 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.995 -1.857 5.005 1.00 0.00 H new ATOM 1188 N ALA A 92 6.000 1.692 6.891 1.00 0.00 N ATOM 1189 CA ALA A 92 6.152 2.827 7.789 1.00 0.00 C ATOM 1190 C ALA A 92 7.450 3.602 7.555 1.00 0.00 C ATOM 1191 O ALA A 92 7.697 4.609 8.219 1.00 0.00 O ATOM 1192 CB ALA A 92 6.079 2.358 9.233 1.00 0.00 C ATOM 0 H ALA A 92 6.174 0.787 7.328 1.00 0.00 H new ATOM 0 HA ALA A 92 5.332 3.513 7.577 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.194 3.213 9.899 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.114 1.884 9.413 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.877 1.640 9.423 1.00 0.00 H new ATOM 1198 N GLU A 93 8.283 3.135 6.631 1.00 0.00 N ATOM 1199 CA GLU A 93 9.553 3.807 6.358 1.00 0.00 C ATOM 1200 C GLU A 93 9.496 4.654 5.088 1.00 0.00 C ATOM 1201 O GLU A 93 10.477 5.308 4.731 1.00 0.00 O ATOM 1202 CB GLU A 93 10.688 2.786 6.256 1.00 0.00 C ATOM 1203 CG GLU A 93 10.481 1.745 5.171 1.00 0.00 C ATOM 1204 CD GLU A 93 11.301 2.026 3.928 1.00 0.00 C ATOM 1205 OE1 GLU A 93 12.535 2.182 4.054 1.00 0.00 O ATOM 1206 OE2 GLU A 93 10.712 2.089 2.828 1.00 0.00 O ATOM 0 H GLU A 93 8.108 2.305 6.064 1.00 0.00 H new ATOM 0 HA GLU A 93 9.746 4.480 7.194 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.623 3.314 6.066 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.796 2.280 7.216 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.745 0.762 5.561 1.00 0.00 H new ATOM 0 HG3 GLU A 93 9.425 1.709 4.904 1.00 0.00 H new ATOM 1213 N SER A 94 8.354 4.653 4.408 1.00 0.00 N ATOM 1214 CA SER A 94 8.201 5.435 3.187 1.00 0.00 C ATOM 1215 C SER A 94 8.300 6.924 3.484 1.00 0.00 C ATOM 1216 O SER A 94 8.750 7.712 2.651 1.00 0.00 O ATOM 1217 CB SER A 94 6.864 5.122 2.515 1.00 0.00 C ATOM 1218 OG SER A 94 7.039 4.255 1.409 1.00 0.00 O ATOM 0 H SER A 94 7.526 4.123 4.680 1.00 0.00 H new ATOM 0 HA SER A 94 9.008 5.163 2.507 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.189 4.663 3.237 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.394 6.048 2.184 1.00 0.00 H new ATOM 0 HG SER A 94 7.505 4.731 0.691 1.00 0.00 H new ATOM 1224 N GLY A 95 7.872 7.295 4.678 1.00 0.00 N ATOM 1225 CA GLY A 95 7.909 8.689 5.088 1.00 0.00 C ATOM 1226 C GLY A 95 6.567 9.374 4.916 1.00 0.00 C ATOM 1227 O GLY A 95 5.956 9.811 5.891 1.00 0.00 O ATOM 0 H GLY A 95 7.497 6.655 5.378 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.215 8.750 6.132 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.662 9.218 4.504 1.00 0.00 H new ATOM 1231 N ASN A 96 6.111 9.462 3.672 1.00 0.00 N ATOM 1232 CA ASN A 96 4.832 10.094 3.368 1.00 0.00 C ATOM 1233 C ASN A 96 4.337 9.704 1.975 1.00 0.00 C ATOM 1234 O ASN A 96 3.465 10.368 1.412 1.00 0.00 O ATOM 1235 CB ASN A 96 4.957 11.617 3.467 1.00 0.00 C ATOM 1236 CG ASN A 96 6.146 12.150 2.692 1.00 0.00 C ATOM 1237 OD1 ASN A 96 6.407 11.729 1.566 1.00 0.00 O ATOM 1238 ND2 ASN A 96 6.875 13.083 3.295 1.00 0.00 N ATOM 0 H ASN A 96 6.608 9.103 2.857 1.00 0.00 H new ATOM 0 HA ASN A 96 4.104 9.743 4.100 1.00 0.00 H new ATOM 0 HB2 ASN A 96 4.044 12.079 3.091 1.00 0.00 H new ATOM 0 HB3 ASN A 96 5.051 11.904 4.514 1.00 0.00 H new ATOM 0 HD21 ASN A 96 7.688 13.479 2.823 1.00 0.00 H new ATOM 0 HD22 ASN A 96 6.622 13.403 4.230 1.00 0.00 H new ATOM 1245 N LYS A 97 4.887 8.620 1.431 1.00 0.00 N ATOM 1246 CA LYS A 97 4.501 8.137 0.111 1.00 0.00 C ATOM 1247 C LYS A 97 4.933 6.685 -0.062 1.00 0.00 C ATOM 1248 O LYS A 97 6.124 6.375 -0.026 1.00 0.00 O ATOM 1249 CB LYS A 97 5.129 9.008 -0.978 1.00 0.00 C ATOM 1250 CG LYS A 97 4.216 9.243 -2.169 1.00 0.00 C ATOM 1251 CD LYS A 97 4.613 10.494 -2.938 1.00 0.00 C ATOM 1252 CE LYS A 97 3.702 11.664 -2.607 1.00 0.00 C ATOM 1253 NZ LYS A 97 3.807 12.753 -3.618 1.00 0.00 N ATOM 0 H LYS A 97 5.605 8.058 1.889 1.00 0.00 H new ATOM 0 HA LYS A 97 3.416 8.195 0.020 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.406 9.970 -0.547 1.00 0.00 H new ATOM 0 HB3 LYS A 97 6.049 8.537 -1.323 1.00 0.00 H new ATOM 0 HG2 LYS A 97 4.253 8.379 -2.833 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.186 9.337 -1.826 1.00 0.00 H new ATOM 0 HD2 LYS A 97 5.644 10.756 -2.701 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.573 10.292 -4.008 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.670 11.317 -2.553 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.958 12.056 -1.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.170 13.532 -3.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.786 13.102 -3.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.538 12.386 -4.553 1.00 0.00 H new ATOM 1267 N LEU A 98 3.961 5.796 -0.232 1.00 0.00 N ATOM 1268 CA LEU A 98 4.254 4.376 -0.389 1.00 0.00 C ATOM 1269 C LEU A 98 3.836 3.857 -1.762 1.00 0.00 C ATOM 1270 O LEU A 98 2.671 3.533 -1.984 1.00 0.00 O ATOM 1271 CB LEU A 98 3.544 3.573 0.703 1.00 0.00 C ATOM 1272 CG LEU A 98 4.465 2.775 1.629 1.00 0.00 C ATOM 1273 CD1 LEU A 98 3.641 1.996 2.643 1.00 0.00 C ATOM 1274 CD2 LEU A 98 5.354 1.840 0.822 1.00 0.00 C ATOM 0 H LEU A 98 2.969 6.031 -0.265 1.00 0.00 H new ATOM 0 HA LEU A 98 5.333 4.251 -0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.952 4.259 1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.846 2.883 0.229 1.00 0.00 H new ATOM 0 HG LEU A 98 5.108 3.471 2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.307 1.432 3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.048 2.689 3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.977 1.308 2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.002 1.281 1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.733 1.145 0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.965 2.423 0.133 1.00 0.00 H new ATOM 1286 N ASP A 99 4.801 3.757 -2.669 1.00 0.00 N ATOM 1287 CA ASP A 99 4.539 3.247 -4.008 1.00 0.00 C ATOM 1288 C ASP A 99 4.935 1.778 -4.081 1.00 0.00 C ATOM 1289 O ASP A 99 6.099 1.432 -3.875 1.00 0.00 O ATOM 1290 CB ASP A 99 5.311 4.055 -5.052 1.00 0.00 C ATOM 1291 CG ASP A 99 4.988 5.536 -4.991 1.00 0.00 C ATOM 1292 OD1 ASP A 99 5.291 6.167 -3.958 1.00 0.00 O ATOM 1293 OD2 ASP A 99 4.431 6.063 -5.978 1.00 0.00 O ATOM 0 H ASP A 99 5.771 4.022 -2.501 1.00 0.00 H new ATOM 0 HA ASP A 99 3.474 3.344 -4.221 1.00 0.00 H new ATOM 0 HB2 ASP A 99 6.381 3.913 -4.900 1.00 0.00 H new ATOM 0 HB3 ASP A 99 5.077 3.676 -6.047 1.00 0.00 H new ATOM 1298 N LEU A 100 3.965 0.913 -4.349 1.00 0.00 N ATOM 1299 CA LEU A 100 4.234 -0.521 -4.416 1.00 0.00 C ATOM 1300 C LEU A 100 3.274 -1.241 -5.355 1.00 0.00 C ATOM 1301 O LEU A 100 2.228 -0.712 -5.723 1.00 0.00 O ATOM 1302 CB LEU A 100 4.128 -1.132 -3.017 1.00 0.00 C ATOM 1303 CG LEU A 100 2.944 -0.637 -2.184 1.00 0.00 C ATOM 1304 CD1 LEU A 100 1.732 -1.532 -2.397 1.00 0.00 C ATOM 1305 CD2 LEU A 100 3.314 -0.582 -0.710 1.00 0.00 C ATOM 0 H LEU A 100 2.994 1.174 -4.522 1.00 0.00 H new ATOM 0 HA LEU A 100 5.243 -0.647 -4.809 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.057 -2.215 -3.114 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.049 -0.921 -2.474 1.00 0.00 H new ATOM 0 HG LEU A 100 2.690 0.371 -2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.899 -1.165 -1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.453 -1.522 -3.451 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.975 -2.551 -2.096 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.460 -0.228 -0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.595 -1.578 -0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.153 0.099 -0.571 1.00 0.00 H new ATOM 1317 N VAL A 101 3.638 -2.469 -5.717 1.00 0.00 N ATOM 1318 CA VAL A 101 2.817 -3.298 -6.592 1.00 0.00 C ATOM 1319 C VAL A 101 2.173 -4.420 -5.790 1.00 0.00 C ATOM 1320 O VAL A 101 2.854 -5.335 -5.330 1.00 0.00 O ATOM 1321 CB VAL A 101 3.648 -3.909 -7.737 1.00 0.00 C ATOM 1322 CG1 VAL A 101 2.737 -4.553 -8.772 1.00 0.00 C ATOM 1323 CG2 VAL A 101 4.534 -2.852 -8.379 1.00 0.00 C ATOM 0 H VAL A 101 4.504 -2.914 -5.414 1.00 0.00 H new ATOM 0 HA VAL A 101 2.049 -2.658 -7.026 1.00 0.00 H new ATOM 0 HB VAL A 101 4.292 -4.684 -7.321 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.341 -4.979 -9.573 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.151 -5.342 -8.300 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.066 -3.800 -9.185 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.113 -3.303 -9.185 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.913 -2.052 -8.782 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.212 -2.442 -7.631 1.00 0.00 H new ATOM 1333 N ILE A 102 0.860 -4.338 -5.608 1.00 0.00 N ATOM 1334 CA ILE A 102 0.134 -5.344 -4.840 1.00 0.00 C ATOM 1335 C ILE A 102 -0.568 -6.337 -5.757 1.00 0.00 C ATOM 1336 O ILE A 102 -0.911 -6.003 -6.883 1.00 0.00 O ATOM 1337 CB ILE A 102 -0.922 -4.688 -3.928 1.00 0.00 C ATOM 1338 CG1 ILE A 102 -2.006 -4.018 -4.781 1.00 0.00 C ATOM 1339 CG2 ILE A 102 -0.271 -3.681 -2.989 1.00 0.00 C ATOM 1340 CD1 ILE A 102 -3.129 -4.955 -5.171 1.00 0.00 C ATOM 0 H ILE A 102 0.277 -3.588 -5.980 1.00 0.00 H new ATOM 0 HA ILE A 102 0.870 -5.869 -4.231 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.388 -5.461 -3.317 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.422 -3.174 -4.230 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -1.549 -3.615 -5.685 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -1.034 -3.230 -2.354 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.466 -4.188 -2.366 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.221 -2.904 -3.574 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.860 -4.416 -5.773 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.725 -5.786 -5.749 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.611 -5.339 -4.272 1.00 0.00 H new ATOM 1352 N SER A 103 -0.791 -7.550 -5.255 1.00 0.00 N ATOM 1353 CA SER A 103 -1.470 -8.588 -6.026 1.00 0.00 C ATOM 1354 C SER A 103 -2.750 -9.027 -5.320 1.00 0.00 C ATOM 1355 O SER A 103 -2.726 -9.378 -4.140 1.00 0.00 O ATOM 1356 CB SER A 103 -0.544 -9.792 -6.229 1.00 0.00 C ATOM 1357 OG SER A 103 -0.460 -10.146 -7.598 1.00 0.00 O ATOM 0 H SER A 103 -0.511 -7.838 -4.317 1.00 0.00 H new ATOM 0 HA SER A 103 -1.732 -8.176 -7.001 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.450 -9.558 -5.849 1.00 0.00 H new ATOM 0 HB3 SER A 103 -0.914 -10.640 -5.653 1.00 0.00 H new ATOM 0 HG SER A 103 0.138 -10.916 -7.701 1.00 0.00 H new ATOM 1363 N ARG A 104 -3.869 -9.004 -6.041 1.00 0.00 N ATOM 1364 CA ARG A 104 -5.149 -9.400 -5.461 1.00 0.00 C ATOM 1365 C ARG A 104 -6.103 -9.947 -6.520 1.00 0.00 C ATOM 1366 O ARG A 104 -6.323 -9.323 -7.558 1.00 0.00 O ATOM 1367 CB ARG A 104 -5.795 -8.207 -4.752 1.00 0.00 C ATOM 1368 CG ARG A 104 -5.993 -6.998 -5.653 1.00 0.00 C ATOM 1369 CD ARG A 104 -7.435 -6.879 -6.122 1.00 0.00 C ATOM 1370 NE ARG A 104 -7.680 -5.622 -6.824 1.00 0.00 N ATOM 1371 CZ ARG A 104 -7.357 -5.409 -8.098 1.00 0.00 C ATOM 1372 NH1 ARG A 104 -6.774 -6.365 -8.810 1.00 0.00 N ATOM 1373 NH2 ARG A 104 -7.618 -4.237 -8.661 1.00 0.00 N ATOM 0 H ARG A 104 -3.915 -8.718 -7.019 1.00 0.00 H new ATOM 0 HA ARG A 104 -4.954 -10.194 -4.741 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -6.761 -8.513 -4.351 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -5.174 -7.920 -3.903 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -5.709 -6.093 -5.116 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -5.334 -7.076 -6.518 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -7.672 -7.714 -6.781 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -8.103 -6.951 -5.263 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.125 -4.863 -6.308 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -6.571 -7.268 -8.382 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -6.529 -6.197 -9.786 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -8.066 -3.499 -8.118 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -7.371 -4.074 -9.637 1.00 0.00 H new ATOM 1387 N ASN A 105 -6.673 -11.116 -6.241 1.00 0.00 N ATOM 1388 CA ASN A 105 -7.614 -11.754 -7.156 1.00 0.00 C ATOM 1389 C ASN A 105 -8.858 -10.888 -7.345 1.00 0.00 C ATOM 1390 O ASN A 105 -9.166 -10.040 -6.507 1.00 0.00 O ATOM 1391 CB ASN A 105 -8.017 -13.132 -6.625 1.00 0.00 C ATOM 1392 CG ASN A 105 -8.394 -13.098 -5.157 1.00 0.00 C ATOM 1393 OD1 ASN A 105 -9.544 -12.837 -4.804 1.00 0.00 O ATOM 1394 ND2 ASN A 105 -7.422 -13.364 -4.293 1.00 0.00 N ATOM 0 H ASN A 105 -6.498 -11.642 -5.385 1.00 0.00 H new ATOM 0 HA ASN A 105 -7.122 -11.872 -8.122 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -8.859 -13.510 -7.205 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -7.192 -13.830 -6.769 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -7.614 -13.357 -3.291 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.483 -13.575 -4.631 1.00 0.00 H new ATOM 1401 N PRO A 106 -9.592 -11.088 -8.454 1.00 0.00 N ATOM 1402 CA PRO A 106 -10.806 -10.318 -8.746 1.00 0.00 C ATOM 1403 C PRO A 106 -11.965 -10.694 -7.827 1.00 0.00 C ATOM 1404 O PRO A 106 -11.790 -11.612 -6.999 1.00 0.00 O ATOM 1405 CB PRO A 106 -11.127 -10.697 -10.192 1.00 0.00 C ATOM 1406 CG PRO A 106 -10.533 -12.051 -10.369 1.00 0.00 C ATOM 1407 CD PRO A 106 -9.299 -12.078 -9.508 1.00 0.00 C ATOM 1408 OXT PRO A 106 -13.039 -10.066 -7.945 1.00 0.00 O ATOM 0 HA PRO A 106 -10.657 -9.249 -8.594 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -12.203 -10.710 -10.368 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -10.698 -9.982 -10.893 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -11.236 -12.828 -10.068 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -10.284 -12.234 -11.414 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -9.123 -13.069 -9.090 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -8.408 -11.809 -10.075 1.00 0.00 H new TER 1416 PRO A 106