USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 670 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 7 ASN : amide:sc= -1.64 K(o=-1.6,f=-0.84) USER MOD Single : A 8 LYS NZ :NH3+ -156:sc= -0.0743 (180deg=-0.505) USER MOD Single : A 12 SER OG : rot 74:sc= 0.189 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc=-0.00398 X(o=-0.004,f=-0.18) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -1.85 K(o=-1.8,f=-4.7!) USER MOD Single : A 28 ASN : amide:sc= -3.31! C(o=-3.3!,f=-6.8!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -122:sc= -0.932 (180deg=-6.23!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -125:sc= -2.6! (180deg=-6.71!) USER MOD Single : A 46 ASN : amide:sc= -0.0322 X(o=-0.032,f=-0.17) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0018 USER MOD Single : A 50 ASN : amide:sc= -0.396 K(o=-0.4,f=-3.3!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 35:sc= -3.57! USER MOD Single : A 54 GLN : amide:sc= -0.584 K(o=-0.58,f=0) USER MOD Single : A 55 GLN : amide:sc= -1.86 K(o=-1.9,f=-5!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -3.18 K(o=-3.2,f=-9.9!) USER MOD Single : A 72 GLN : amide:sc= -0.019 X(o=-0.019,f=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 76 THR OG1 : rot 75:sc= 0.287 USER MOD Single : A 79 ASN : amide:sc= 1.17 K(o=1.2,f=-0.19) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot -152:sc= -0.5! USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -41:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 63 N ALA A 6 -5.973 20.241 -5.108 1.00 0.00 N ATOM 64 CA ALA A 6 -4.703 20.144 -4.395 1.00 0.00 C ATOM 65 C ALA A 6 -4.668 18.924 -3.477 1.00 0.00 C ATOM 66 O ALA A 6 -3.693 18.165 -3.472 1.00 0.00 O ATOM 67 CB ALA A 6 -4.444 21.416 -3.600 1.00 0.00 C ATOM 0 HA ALA A 6 -3.913 20.023 -5.136 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.493 21.329 -3.074 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.406 22.268 -4.279 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.247 21.563 -2.877 1.00 0.00 H new ATOM 73 N ASN A 7 -5.737 18.724 -2.714 1.00 0.00 N ATOM 74 CA ASN A 7 -5.814 17.583 -1.813 1.00 0.00 C ATOM 75 C ASN A 7 -5.766 16.284 -2.611 1.00 0.00 C ATOM 76 O ASN A 7 -4.887 15.442 -2.398 1.00 0.00 O ATOM 77 CB ASN A 7 -7.090 17.650 -0.968 1.00 0.00 C ATOM 78 CG ASN A 7 -6.806 17.537 0.521 1.00 0.00 C ATOM 79 OD1 ASN A 7 -6.685 16.437 1.058 1.00 0.00 O ATOM 80 ND2 ASN A 7 -6.697 18.679 1.195 1.00 0.00 N ATOM 0 H ASN A 7 -6.556 19.333 -2.702 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.958 17.611 -1.138 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.605 18.590 -1.167 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -7.764 16.848 -1.268 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.506 18.664 2.197 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.805 19.570 0.710 1.00 0.00 H new ATOM 87 N LYS A 8 -6.708 16.121 -3.538 1.00 0.00 N ATOM 88 CA LYS A 8 -6.758 14.925 -4.365 1.00 0.00 C ATOM 89 C LYS A 8 -5.436 14.719 -5.090 1.00 0.00 C ATOM 90 O LYS A 8 -5.019 13.585 -5.326 1.00 0.00 O ATOM 91 CB LYS A 8 -7.899 15.026 -5.379 1.00 0.00 C ATOM 92 CG LYS A 8 -9.251 15.317 -4.747 1.00 0.00 C ATOM 93 CD LYS A 8 -10.210 14.150 -4.915 1.00 0.00 C ATOM 94 CE LYS A 8 -10.895 14.185 -6.271 1.00 0.00 C ATOM 95 NZ LYS A 8 -11.793 15.365 -6.410 1.00 0.00 N ATOM 0 H LYS A 8 -7.443 16.801 -3.732 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.937 14.068 -3.715 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.667 15.812 -6.098 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.962 14.092 -5.937 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.119 15.530 -3.686 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -9.681 16.210 -5.201 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -9.666 13.212 -4.805 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -10.961 14.178 -4.126 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -10.141 14.208 -7.058 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.473 13.271 -6.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.523 15.164 -7.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.247 15.565 -5.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.237 16.191 -6.709 1.00 0.00 H new ATOM 109 N ASP A 9 -4.763 15.819 -5.426 1.00 0.00 N ATOM 110 CA ASP A 9 -3.478 15.733 -6.101 1.00 0.00 C ATOM 111 C ASP A 9 -2.496 14.998 -5.208 1.00 0.00 C ATOM 112 O ASP A 9 -1.772 14.110 -5.658 1.00 0.00 O ATOM 113 CB ASP A 9 -2.945 17.126 -6.443 1.00 0.00 C ATOM 114 CG ASP A 9 -2.035 17.114 -7.656 1.00 0.00 C ATOM 115 OD1 ASP A 9 -1.069 16.322 -7.665 1.00 0.00 O ATOM 116 OD2 ASP A 9 -2.287 17.897 -8.596 1.00 0.00 O ATOM 0 H ASP A 9 -5.086 16.769 -5.242 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.604 15.186 -7.036 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -3.783 17.798 -6.628 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -2.400 17.524 -5.587 1.00 0.00 H new ATOM 121 N LEU A 10 -2.492 15.364 -3.930 1.00 0.00 N ATOM 122 CA LEU A 10 -1.613 14.725 -2.964 1.00 0.00 C ATOM 123 C LEU A 10 -1.931 13.235 -2.888 1.00 0.00 C ATOM 124 O LEU A 10 -1.023 12.395 -2.843 1.00 0.00 O ATOM 125 CB LEU A 10 -1.784 15.380 -1.590 1.00 0.00 C ATOM 126 CG LEU A 10 -0.595 15.239 -0.639 1.00 0.00 C ATOM 127 CD1 LEU A 10 -0.376 13.781 -0.280 1.00 0.00 C ATOM 128 CD2 LEU A 10 0.663 15.833 -1.256 1.00 0.00 C ATOM 0 H LEU A 10 -3.086 16.097 -3.543 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.577 14.848 -3.280 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.986 16.441 -1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.663 14.951 -1.110 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.818 15.791 0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.474 13.697 0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.269 13.388 0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.176 13.209 -1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.496 15.722 -0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.893 15.312 -2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.502 16.891 -1.463 1.00 0.00 H new ATOM 140 N ILE A 11 -3.221 12.899 -2.904 1.00 0.00 N ATOM 141 CA ILE A 11 -3.611 11.499 -2.862 1.00 0.00 C ATOM 142 C ILE A 11 -3.095 10.786 -4.104 1.00 0.00 C ATOM 143 O ILE A 11 -2.388 9.782 -4.004 1.00 0.00 O ATOM 144 CB ILE A 11 -5.142 11.337 -2.784 1.00 0.00 C ATOM 145 CG1 ILE A 11 -5.716 12.206 -1.662 1.00 0.00 C ATOM 146 CG2 ILE A 11 -5.511 9.875 -2.574 1.00 0.00 C ATOM 147 CD1 ILE A 11 -5.081 11.953 -0.312 1.00 0.00 C ATOM 0 H ILE A 11 -3.994 13.563 -2.945 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.175 11.059 -1.965 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.575 11.668 -3.728 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.585 13.256 -1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.789 12.027 -1.588 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.595 9.777 -2.521 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.133 9.281 -3.406 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.069 9.518 -1.644 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.538 12.604 0.433 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.235 10.912 -0.027 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.012 12.160 -0.368 1.00 0.00 H new ATOM 159 N SER A 12 -3.447 11.306 -5.282 1.00 0.00 N ATOM 160 CA SER A 12 -3.012 10.708 -6.538 1.00 0.00 C ATOM 161 C SER A 12 -1.504 10.496 -6.542 1.00 0.00 C ATOM 162 O SER A 12 -1.004 9.542 -7.130 1.00 0.00 O ATOM 163 CB SER A 12 -3.418 11.594 -7.716 1.00 0.00 C ATOM 164 OG SER A 12 -4.827 11.727 -7.791 1.00 0.00 O ATOM 0 H SER A 12 -4.030 12.136 -5.388 1.00 0.00 H new ATOM 0 HA SER A 12 -3.498 9.738 -6.639 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.962 12.578 -7.609 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.040 11.166 -8.644 1.00 0.00 H new ATOM 0 HG SER A 12 -5.138 12.319 -7.075 1.00 0.00 H new ATOM 170 N ALA A 13 -0.787 11.393 -5.878 1.00 0.00 N ATOM 171 CA ALA A 13 0.663 11.290 -5.807 1.00 0.00 C ATOM 172 C ALA A 13 1.060 10.043 -5.038 1.00 0.00 C ATOM 173 O ALA A 13 1.888 9.254 -5.497 1.00 0.00 O ATOM 174 CB ALA A 13 1.266 12.536 -5.178 1.00 0.00 C ATOM 0 H ALA A 13 -1.182 12.194 -5.385 1.00 0.00 H new ATOM 0 HA ALA A 13 1.056 11.210 -6.820 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.350 12.434 -5.136 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.006 13.408 -5.778 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.874 12.660 -4.168 1.00 0.00 H new ATOM 180 N GLY A 14 0.434 9.843 -3.887 1.00 0.00 N ATOM 181 CA GLY A 14 0.713 8.654 -3.104 1.00 0.00 C ATOM 182 C GLY A 14 0.266 7.409 -3.843 1.00 0.00 C ATOM 183 O GLY A 14 0.832 6.327 -3.678 1.00 0.00 O ATOM 0 H GLY A 14 -0.256 10.476 -3.483 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.781 8.594 -2.893 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.201 8.716 -2.144 1.00 0.00 H new ATOM 187 N LEU A 15 -0.752 7.587 -4.680 1.00 0.00 N ATOM 188 CA LEU A 15 -1.289 6.498 -5.476 1.00 0.00 C ATOM 189 C LEU A 15 -0.300 6.099 -6.562 1.00 0.00 C ATOM 190 O LEU A 15 0.155 4.960 -6.607 1.00 0.00 O ATOM 191 CB LEU A 15 -2.630 6.897 -6.098 1.00 0.00 C ATOM 192 CG LEU A 15 -3.864 6.348 -5.378 1.00 0.00 C ATOM 193 CD1 LEU A 15 -4.081 7.074 -4.058 1.00 0.00 C ATOM 194 CD2 LEU A 15 -5.095 6.467 -6.265 1.00 0.00 C ATOM 0 H LEU A 15 -1.221 8.482 -4.822 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.454 5.642 -4.822 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.694 7.985 -6.120 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.650 6.556 -7.133 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.696 5.293 -5.163 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.963 6.670 -3.561 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.209 6.936 -3.419 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.227 8.137 -4.247 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.963 6.072 -5.737 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.266 7.515 -6.511 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.939 5.899 -7.182 1.00 0.00 H new ATOM 206 N LYS A 16 0.019 7.038 -7.441 1.00 0.00 N ATOM 207 CA LYS A 16 0.947 6.771 -8.534 1.00 0.00 C ATOM 208 C LYS A 16 2.272 6.234 -8.011 1.00 0.00 C ATOM 209 O LYS A 16 2.929 5.425 -8.668 1.00 0.00 O ATOM 210 CB LYS A 16 1.178 8.039 -9.360 1.00 0.00 C ATOM 211 CG LYS A 16 1.015 7.829 -10.857 1.00 0.00 C ATOM 212 CD LYS A 16 2.341 7.950 -11.590 1.00 0.00 C ATOM 213 CE LYS A 16 2.769 9.402 -11.730 1.00 0.00 C ATOM 214 NZ LYS A 16 2.084 10.076 -12.868 1.00 0.00 N ATOM 0 H LYS A 16 -0.349 7.989 -7.420 1.00 0.00 H new ATOM 0 HA LYS A 16 0.502 6.009 -9.174 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.480 8.809 -9.031 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.182 8.414 -9.161 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.586 6.844 -11.042 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.312 8.562 -11.253 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.108 7.394 -11.051 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.254 7.498 -12.578 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.548 9.936 -10.806 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.848 9.450 -11.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.403 11.064 -12.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.315 9.582 -13.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.055 10.053 -12.717 1.00 0.00 H new ATOM 228 N GLU A 17 2.662 6.680 -6.823 1.00 0.00 N ATOM 229 CA GLU A 17 3.909 6.235 -6.221 1.00 0.00 C ATOM 230 C GLU A 17 3.820 4.772 -5.801 1.00 0.00 C ATOM 231 O GLU A 17 4.723 3.981 -6.071 1.00 0.00 O ATOM 232 CB GLU A 17 4.262 7.107 -5.014 1.00 0.00 C ATOM 233 CG GLU A 17 5.734 7.481 -4.945 1.00 0.00 C ATOM 234 CD GLU A 17 6.201 8.239 -6.172 1.00 0.00 C ATOM 235 OE1 GLU A 17 5.959 9.462 -6.244 1.00 0.00 O ATOM 236 OE2 GLU A 17 6.811 7.608 -7.062 1.00 0.00 O ATOM 0 H GLU A 17 2.134 7.347 -6.261 1.00 0.00 H new ATOM 0 HA GLU A 17 4.696 6.331 -6.968 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.665 8.018 -5.047 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.986 6.579 -4.101 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.909 8.090 -4.058 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.330 6.575 -4.833 1.00 0.00 H new ATOM 243 N PHE A 18 2.728 4.421 -5.132 1.00 0.00 N ATOM 244 CA PHE A 18 2.530 3.051 -4.667 1.00 0.00 C ATOM 245 C PHE A 18 2.207 2.105 -5.821 1.00 0.00 C ATOM 246 O PHE A 18 2.641 0.953 -5.825 1.00 0.00 O ATOM 247 CB PHE A 18 1.418 2.996 -3.617 1.00 0.00 C ATOM 248 CG PHE A 18 1.323 1.673 -2.906 1.00 0.00 C ATOM 249 CD1 PHE A 18 2.467 0.961 -2.576 1.00 0.00 C ATOM 250 CD2 PHE A 18 0.088 1.143 -2.569 1.00 0.00 C ATOM 251 CE1 PHE A 18 2.379 -0.254 -1.924 1.00 0.00 C ATOM 252 CE2 PHE A 18 -0.004 -0.073 -1.916 1.00 0.00 C ATOM 253 CZ PHE A 18 1.143 -0.772 -1.593 1.00 0.00 C ATOM 0 H PHE A 18 1.969 5.061 -4.900 1.00 0.00 H new ATOM 0 HA PHE A 18 3.465 2.722 -4.215 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.586 3.783 -2.881 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.464 3.209 -4.099 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.437 1.361 -2.832 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.812 1.685 -2.819 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.277 -0.799 -1.673 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.972 -0.476 -1.659 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.073 -1.721 -1.083 1.00 0.00 H new ATOM 263 N SER A 19 1.447 2.587 -6.800 1.00 0.00 N ATOM 264 CA SER A 19 1.079 1.763 -7.946 1.00 0.00 C ATOM 265 C SER A 19 2.309 1.406 -8.770 1.00 0.00 C ATOM 266 O SER A 19 2.553 0.236 -9.069 1.00 0.00 O ATOM 267 CB SER A 19 0.056 2.492 -8.819 1.00 0.00 C ATOM 268 OG SER A 19 -0.650 1.581 -9.644 1.00 0.00 O ATOM 0 H SER A 19 1.076 3.537 -6.823 1.00 0.00 H new ATOM 0 HA SER A 19 0.632 0.841 -7.574 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.646 3.034 -8.186 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.563 3.231 -9.439 1.00 0.00 H new ATOM 0 HG SER A 19 -1.299 2.071 -10.191 1.00 0.00 H new ATOM 274 N VAL A 20 3.085 2.422 -9.128 1.00 0.00 N ATOM 275 CA VAL A 20 4.295 2.217 -9.913 1.00 0.00 C ATOM 276 C VAL A 20 5.329 1.430 -9.117 1.00 0.00 C ATOM 277 O VAL A 20 6.048 0.597 -9.669 1.00 0.00 O ATOM 278 CB VAL A 20 4.911 3.557 -10.357 1.00 0.00 C ATOM 279 CG1 VAL A 20 6.101 3.324 -11.275 1.00 0.00 C ATOM 280 CG2 VAL A 20 3.865 4.426 -11.040 1.00 0.00 C ATOM 0 H VAL A 20 2.898 3.395 -8.887 1.00 0.00 H new ATOM 0 HA VAL A 20 4.011 1.650 -10.799 1.00 0.00 H new ATOM 0 HB VAL A 20 5.265 4.082 -9.470 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.521 4.283 -11.577 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.860 2.746 -10.748 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.776 2.776 -12.159 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.319 5.368 -11.347 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.478 3.908 -11.917 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.048 4.625 -10.346 1.00 0.00 H new ATOM 290 N LEU A 21 5.396 1.696 -7.817 1.00 0.00 N ATOM 291 CA LEU A 21 6.342 1.011 -6.945 1.00 0.00 C ATOM 292 C LEU A 21 5.976 -0.463 -6.790 1.00 0.00 C ATOM 293 O LEU A 21 6.849 -1.331 -6.776 1.00 0.00 O ATOM 294 CB LEU A 21 6.381 1.688 -5.573 1.00 0.00 C ATOM 295 CG LEU A 21 7.287 1.016 -4.541 1.00 0.00 C ATOM 296 CD1 LEU A 21 8.719 1.510 -4.687 1.00 0.00 C ATOM 297 CD2 LEU A 21 6.772 1.277 -3.134 1.00 0.00 C ATOM 0 H LEU A 21 4.806 2.381 -7.344 1.00 0.00 H new ATOM 0 HA LEU A 21 7.330 1.072 -7.402 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.709 2.719 -5.704 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.367 1.724 -5.174 1.00 0.00 H new ATOM 0 HG LEU A 21 7.276 -0.059 -4.718 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.350 1.021 -3.945 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.085 1.274 -5.686 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.749 2.589 -4.535 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.428 0.792 -2.411 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.755 2.351 -2.946 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.763 0.876 -3.035 1.00 0.00 H new ATOM 309 N LEU A 22 4.680 -0.737 -6.675 1.00 0.00 N ATOM 310 CA LEU A 22 4.199 -2.106 -6.520 1.00 0.00 C ATOM 311 C LEU A 22 4.509 -2.941 -7.759 1.00 0.00 C ATOM 312 O LEU A 22 5.033 -4.052 -7.658 1.00 0.00 O ATOM 313 CB LEU A 22 2.690 -2.112 -6.262 1.00 0.00 C ATOM 314 CG LEU A 22 2.260 -1.601 -4.886 1.00 0.00 C ATOM 315 CD1 LEU A 22 0.864 -0.996 -4.951 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.307 -2.727 -3.863 1.00 0.00 C ATOM 0 H LEU A 22 3.945 -0.030 -6.686 1.00 0.00 H new ATOM 0 HA LEU A 22 4.715 -2.547 -5.667 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.205 -1.503 -7.025 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.321 -3.130 -6.385 1.00 0.00 H new ATOM 0 HG LEU A 22 2.956 -0.822 -4.575 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.576 -0.638 -3.962 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.861 -0.163 -5.654 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.154 -1.754 -5.284 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.998 -2.347 -2.889 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.633 -3.527 -4.171 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.323 -3.115 -3.795 1.00 0.00 H new ATOM 328 N ASN A 23 4.171 -2.405 -8.929 1.00 0.00 N ATOM 329 CA ASN A 23 4.402 -3.106 -10.189 1.00 0.00 C ATOM 330 C ASN A 23 5.861 -3.005 -10.638 1.00 0.00 C ATOM 331 O ASN A 23 6.306 -3.769 -11.493 1.00 0.00 O ATOM 332 CB ASN A 23 3.485 -2.548 -11.278 1.00 0.00 C ATOM 333 CG ASN A 23 3.226 -3.550 -12.386 1.00 0.00 C ATOM 334 OD1 ASN A 23 2.845 -4.693 -12.130 1.00 0.00 O ATOM 335 ND2 ASN A 23 3.434 -3.126 -13.626 1.00 0.00 N ATOM 0 H ASN A 23 3.736 -1.488 -9.031 1.00 0.00 H new ATOM 0 HA ASN A 23 4.176 -4.159 -10.024 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.536 -2.250 -10.832 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.934 -1.650 -11.702 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.278 -3.756 -14.413 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.750 -2.170 -13.792 1.00 0.00 H new ATOM 342 N GLN A 24 6.600 -2.059 -10.065 1.00 0.00 N ATOM 343 CA GLN A 24 8.003 -1.869 -10.423 1.00 0.00 C ATOM 344 C GLN A 24 8.858 -3.057 -9.985 1.00 0.00 C ATOM 345 O GLN A 24 9.936 -3.291 -10.532 1.00 0.00 O ATOM 346 CB GLN A 24 8.542 -0.583 -9.791 1.00 0.00 C ATOM 347 CG GLN A 24 8.568 0.600 -10.744 1.00 0.00 C ATOM 348 CD GLN A 24 9.947 0.858 -11.318 1.00 0.00 C ATOM 349 OE1 GLN A 24 10.508 0.015 -12.018 1.00 0.00 O ATOM 350 NE2 GLN A 24 10.502 2.028 -11.023 1.00 0.00 N ATOM 0 H GLN A 24 6.253 -1.415 -9.354 1.00 0.00 H new ATOM 0 HA GLN A 24 8.059 -1.791 -11.509 1.00 0.00 H new ATOM 0 HB2 GLN A 24 7.929 -0.329 -8.926 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.552 -0.765 -9.423 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.867 0.420 -11.559 1.00 0.00 H new ATOM 0 HG3 GLN A 24 8.225 1.492 -10.219 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.001 2.697 -10.439 1.00 0.00 H new ATOM 0 HE22 GLN A 24 11.429 2.257 -11.381 1.00 0.00 H new ATOM 359 N GLN A 25 8.380 -3.799 -8.990 1.00 0.00 N ATOM 360 CA GLN A 25 9.114 -4.950 -8.476 1.00 0.00 C ATOM 361 C GLN A 25 8.847 -6.205 -9.305 1.00 0.00 C ATOM 362 O GLN A 25 7.717 -6.458 -9.726 1.00 0.00 O ATOM 363 CB GLN A 25 8.739 -5.203 -7.015 1.00 0.00 C ATOM 364 CG GLN A 25 9.432 -4.265 -6.040 1.00 0.00 C ATOM 365 CD GLN A 25 8.477 -3.274 -5.406 1.00 0.00 C ATOM 366 OE1 GLN A 25 8.751 -2.074 -5.357 1.00 0.00 O ATOM 367 NE2 GLN A 25 7.347 -3.771 -4.914 1.00 0.00 N ATOM 0 H GLN A 25 7.489 -3.624 -8.525 1.00 0.00 H new ATOM 0 HA GLN A 25 10.178 -4.722 -8.545 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.660 -5.099 -6.902 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.989 -6.232 -6.757 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.914 -4.851 -5.257 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.220 -3.722 -6.562 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.160 -4.772 -4.976 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.666 -3.152 -4.474 1.00 0.00 H new ATOM 376 N VAL A 26 9.897 -6.994 -9.518 1.00 0.00 N ATOM 377 CA VAL A 26 9.792 -8.233 -10.280 1.00 0.00 C ATOM 378 C VAL A 26 10.152 -9.428 -9.402 1.00 0.00 C ATOM 379 O VAL A 26 10.985 -9.316 -8.502 1.00 0.00 O ATOM 380 CB VAL A 26 10.710 -8.215 -11.519 1.00 0.00 C ATOM 381 CG1 VAL A 26 12.168 -8.073 -11.107 1.00 0.00 C ATOM 382 CG2 VAL A 26 10.505 -9.470 -12.356 1.00 0.00 C ATOM 0 H VAL A 26 10.835 -6.795 -9.171 1.00 0.00 H new ATOM 0 HA VAL A 26 8.759 -8.322 -10.617 1.00 0.00 H new ATOM 0 HB VAL A 26 10.445 -7.351 -12.129 1.00 0.00 H new ATOM 0 HG11 VAL A 26 12.798 -8.063 -11.996 1.00 0.00 H new ATOM 0 HG12 VAL A 26 12.302 -7.142 -10.557 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.450 -8.913 -10.472 1.00 0.00 H new ATOM 0 HG21 VAL A 26 11.161 -9.439 -13.226 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.739 -10.350 -11.756 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.468 -9.522 -12.686 1.00 0.00 H new ATOM 392 N PHE A 27 9.515 -10.568 -9.652 1.00 0.00 N ATOM 393 CA PHE A 27 9.770 -11.768 -8.862 1.00 0.00 C ATOM 394 C PHE A 27 10.618 -12.782 -9.624 1.00 0.00 C ATOM 395 O PHE A 27 10.407 -13.027 -10.811 1.00 0.00 O ATOM 396 CB PHE A 27 8.453 -12.415 -8.434 1.00 0.00 C ATOM 397 CG PHE A 27 7.516 -11.463 -7.749 1.00 0.00 C ATOM 398 CD1 PHE A 27 7.979 -10.610 -6.762 1.00 0.00 C ATOM 399 CD2 PHE A 27 6.174 -11.421 -8.093 1.00 0.00 C ATOM 400 CE1 PHE A 27 7.122 -9.731 -6.130 1.00 0.00 C ATOM 401 CE2 PHE A 27 5.312 -10.545 -7.463 1.00 0.00 C ATOM 402 CZ PHE A 27 5.787 -9.698 -6.480 1.00 0.00 C ATOM 0 H PHE A 27 8.822 -10.686 -10.391 1.00 0.00 H new ATOM 0 HA PHE A 27 10.328 -11.460 -7.978 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.959 -12.831 -9.312 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.667 -13.248 -7.764 1.00 0.00 H new ATOM 0 HD1 PHE A 27 9.022 -10.632 -6.483 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.798 -12.080 -8.862 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.496 -9.070 -5.362 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.268 -10.522 -7.738 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.115 -9.011 -5.986 1.00 0.00 H new ATOM 412 N ASN A 28 11.568 -13.376 -8.912 1.00 0.00 N ATOM 413 CA ASN A 28 12.456 -14.383 -9.480 1.00 0.00 C ATOM 414 C ASN A 28 12.968 -15.296 -8.366 1.00 0.00 C ATOM 415 O ASN A 28 12.262 -16.210 -7.941 1.00 0.00 O ATOM 416 CB ASN A 28 13.620 -13.728 -10.238 1.00 0.00 C ATOM 417 CG ASN A 28 14.030 -12.391 -9.645 1.00 0.00 C ATOM 418 OD1 ASN A 28 14.998 -12.303 -8.891 1.00 0.00 O ATOM 419 ND2 ASN A 28 13.291 -11.341 -9.988 1.00 0.00 N ATOM 0 H ASN A 28 11.744 -13.174 -7.928 1.00 0.00 H new ATOM 0 HA ASN A 28 11.899 -14.982 -10.200 1.00 0.00 H new ATOM 0 HB2 ASN A 28 14.477 -14.402 -10.231 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.335 -13.586 -11.280 1.00 0.00 H new ATOM 0 HD21 ASN A 28 13.518 -10.416 -9.623 1.00 0.00 H new ATOM 0 HD22 ASN A 28 12.497 -11.460 -10.617 1.00 0.00 H new ATOM 426 N ASP A 29 14.178 -15.042 -7.874 1.00 0.00 N ATOM 427 CA ASP A 29 14.735 -15.843 -6.795 1.00 0.00 C ATOM 428 C ASP A 29 14.171 -15.366 -5.460 1.00 0.00 C ATOM 429 O ASP A 29 13.562 -14.298 -5.391 1.00 0.00 O ATOM 430 CB ASP A 29 16.262 -15.738 -6.790 1.00 0.00 C ATOM 431 CG ASP A 29 16.923 -16.867 -7.555 1.00 0.00 C ATOM 432 OD1 ASP A 29 17.218 -17.911 -6.935 1.00 0.00 O ATOM 433 OD2 ASP A 29 17.145 -16.709 -8.773 1.00 0.00 O ATOM 0 H ASP A 29 14.786 -14.292 -8.205 1.00 0.00 H new ATOM 0 HA ASP A 29 14.461 -16.887 -6.948 1.00 0.00 H new ATOM 0 HB2 ASP A 29 16.559 -14.785 -7.227 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.620 -15.742 -5.761 1.00 0.00 H new ATOM 438 N PRO A 30 14.357 -16.144 -4.379 1.00 0.00 N ATOM 439 CA PRO A 30 13.857 -15.788 -3.051 1.00 0.00 C ATOM 440 C PRO A 30 14.041 -14.304 -2.739 1.00 0.00 C ATOM 441 O PRO A 30 13.126 -13.645 -2.246 1.00 0.00 O ATOM 442 CB PRO A 30 14.701 -16.653 -2.097 1.00 0.00 C ATOM 443 CG PRO A 30 15.636 -17.444 -2.962 1.00 0.00 C ATOM 444 CD PRO A 30 15.062 -17.426 -4.350 1.00 0.00 C ATOM 0 HA PRO A 30 12.785 -15.964 -2.962 1.00 0.00 H new ATOM 0 HB2 PRO A 30 15.255 -16.030 -1.394 1.00 0.00 H new ATOM 0 HB3 PRO A 30 14.066 -17.313 -1.506 1.00 0.00 H new ATOM 0 HG2 PRO A 30 16.635 -17.008 -2.951 1.00 0.00 H new ATOM 0 HG3 PRO A 30 15.730 -18.466 -2.596 1.00 0.00 H new ATOM 0 HD2 PRO A 30 15.839 -17.480 -5.112 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.388 -18.265 -4.522 1.00 0.00 H new ATOM 452 N LEU A 31 15.230 -13.788 -3.030 1.00 0.00 N ATOM 453 CA LEU A 31 15.544 -12.383 -2.783 1.00 0.00 C ATOM 454 C LEU A 31 15.218 -11.992 -1.334 1.00 0.00 C ATOM 455 O LEU A 31 15.863 -12.473 -0.403 1.00 0.00 O ATOM 456 CB LEU A 31 14.796 -11.491 -3.780 1.00 0.00 C ATOM 457 CG LEU A 31 15.296 -11.572 -5.223 1.00 0.00 C ATOM 458 CD1 LEU A 31 14.206 -11.135 -6.193 1.00 0.00 C ATOM 459 CD2 LEU A 31 16.546 -10.723 -5.401 1.00 0.00 C ATOM 0 H LEU A 31 15.996 -14.323 -3.439 1.00 0.00 H new ATOM 0 HA LEU A 31 16.614 -12.236 -2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 31 13.740 -11.759 -3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 31 14.868 -10.457 -3.444 1.00 0.00 H new ATOM 0 HG LEU A 31 15.551 -12.609 -5.442 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.581 -11.199 -7.215 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.339 -11.786 -6.083 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.917 -10.106 -5.977 1.00 0.00 H new ATOM 0 HD21 LEU A 31 16.889 -10.792 -6.433 1.00 0.00 H new ATOM 0 HD22 LEU A 31 16.317 -9.684 -5.163 1.00 0.00 H new ATOM 0 HD23 LEU A 31 17.329 -11.084 -4.734 1.00 0.00 H new ATOM 471 N VAL A 32 14.221 -11.128 -1.141 1.00 0.00 N ATOM 472 CA VAL A 32 13.838 -10.699 0.203 1.00 0.00 C ATOM 473 C VAL A 32 12.740 -11.603 0.764 1.00 0.00 C ATOM 474 O VAL A 32 11.969 -12.202 0.014 1.00 0.00 O ATOM 475 CB VAL A 32 13.387 -9.208 0.244 1.00 0.00 C ATOM 476 CG1 VAL A 32 12.992 -8.698 -1.136 1.00 0.00 C ATOM 477 CG2 VAL A 32 12.247 -8.996 1.232 1.00 0.00 C ATOM 0 H VAL A 32 13.668 -10.715 -1.892 1.00 0.00 H new ATOM 0 HA VAL A 32 14.726 -10.785 0.829 1.00 0.00 H new ATOM 0 HB VAL A 32 14.247 -8.630 0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.684 -7.655 -1.064 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.844 -8.779 -1.811 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.165 -9.295 -1.521 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.958 -7.945 1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.393 -9.606 0.938 1.00 0.00 H new ATOM 0 HG23 VAL A 32 12.573 -9.285 2.231 1.00 0.00 H new ATOM 487 N SER A 33 12.682 -11.701 2.090 1.00 0.00 N ATOM 488 CA SER A 33 11.688 -12.537 2.755 1.00 0.00 C ATOM 489 C SER A 33 10.359 -11.802 2.904 1.00 0.00 C ATOM 490 O SER A 33 10.263 -10.606 2.626 1.00 0.00 O ATOM 491 CB SER A 33 12.200 -12.975 4.130 1.00 0.00 C ATOM 492 OG SER A 33 12.227 -14.388 4.238 1.00 0.00 O ATOM 0 H SER A 33 13.312 -11.211 2.725 1.00 0.00 H new ATOM 0 HA SER A 33 11.522 -13.419 2.136 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.201 -12.576 4.293 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.560 -12.560 4.909 1.00 0.00 H new ATOM 0 HG SER A 33 12.559 -14.642 5.124 1.00 0.00 H new ATOM 498 N GLU A 34 9.338 -12.530 3.343 1.00 0.00 N ATOM 499 CA GLU A 34 8.010 -11.957 3.530 1.00 0.00 C ATOM 500 C GLU A 34 7.998 -10.970 4.690 1.00 0.00 C ATOM 501 O GLU A 34 7.303 -9.956 4.645 1.00 0.00 O ATOM 502 CB GLU A 34 6.987 -13.067 3.775 1.00 0.00 C ATOM 503 CG GLU A 34 6.115 -13.366 2.569 1.00 0.00 C ATOM 504 CD GLU A 34 4.950 -12.404 2.436 1.00 0.00 C ATOM 505 OE1 GLU A 34 4.682 -11.658 3.402 1.00 0.00 O ATOM 506 OE2 GLU A 34 4.305 -12.395 1.367 1.00 0.00 O ATOM 0 H GLU A 34 9.405 -13.521 3.577 1.00 0.00 H new ATOM 0 HA GLU A 34 7.742 -11.418 2.621 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.513 -13.976 4.067 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.350 -12.784 4.613 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.723 -13.320 1.666 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.733 -14.384 2.645 1.00 0.00 H new ATOM 513 N GLU A 35 8.770 -11.270 5.727 1.00 0.00 N ATOM 514 CA GLU A 35 8.842 -10.401 6.895 1.00 0.00 C ATOM 515 C GLU A 35 9.519 -9.081 6.542 1.00 0.00 C ATOM 516 O GLU A 35 9.142 -8.028 7.049 1.00 0.00 O ATOM 517 CB GLU A 35 9.601 -11.097 8.028 1.00 0.00 C ATOM 518 CG GLU A 35 8.822 -11.160 9.333 1.00 0.00 C ATOM 519 CD GLU A 35 9.494 -10.390 10.453 1.00 0.00 C ATOM 520 OE1 GLU A 35 10.728 -10.515 10.603 1.00 0.00 O ATOM 521 OE2 GLU A 35 8.788 -9.660 11.178 1.00 0.00 O ATOM 0 H GLU A 35 9.353 -12.105 5.783 1.00 0.00 H new ATOM 0 HA GLU A 35 7.826 -10.190 7.229 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.854 -12.110 7.716 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.541 -10.573 8.200 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.820 -10.761 9.173 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.706 -12.202 9.632 1.00 0.00 H new ATOM 528 N ASP A 36 10.512 -9.144 5.660 1.00 0.00 N ATOM 529 CA ASP A 36 11.231 -7.948 5.234 1.00 0.00 C ATOM 530 C ASP A 36 10.354 -7.097 4.323 1.00 0.00 C ATOM 531 O ASP A 36 10.229 -5.887 4.514 1.00 0.00 O ATOM 532 CB ASP A 36 12.526 -8.333 4.515 1.00 0.00 C ATOM 533 CG ASP A 36 13.743 -8.205 5.409 1.00 0.00 C ATOM 534 OD1 ASP A 36 14.285 -7.084 5.518 1.00 0.00 O ATOM 535 OD2 ASP A 36 14.156 -9.225 6.000 1.00 0.00 O ATOM 0 H ASP A 36 10.837 -10.009 5.227 1.00 0.00 H new ATOM 0 HA ASP A 36 11.484 -7.363 6.118 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.448 -9.359 4.157 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.654 -7.698 3.638 1.00 0.00 H new ATOM 540 N MET A 37 9.735 -7.746 3.347 1.00 0.00 N ATOM 541 CA MET A 37 8.851 -7.056 2.416 1.00 0.00 C ATOM 542 C MET A 37 7.645 -6.503 3.165 1.00 0.00 C ATOM 543 O MET A 37 7.282 -5.336 3.013 1.00 0.00 O ATOM 544 CB MET A 37 8.393 -8.005 1.307 1.00 0.00 C ATOM 545 CG MET A 37 7.934 -7.291 0.047 1.00 0.00 C ATOM 546 SD MET A 37 9.309 -6.678 -0.947 1.00 0.00 S ATOM 547 CE MET A 37 8.540 -5.285 -1.769 1.00 0.00 C ATOM 0 H MET A 37 9.828 -8.748 3.179 1.00 0.00 H new ATOM 0 HA MET A 37 9.398 -6.231 1.959 1.00 0.00 H new ATOM 0 HB2 MET A 37 9.212 -8.678 1.055 1.00 0.00 H new ATOM 0 HB3 MET A 37 7.577 -8.622 1.683 1.00 0.00 H new ATOM 0 HG2 MET A 37 7.333 -7.974 -0.554 1.00 0.00 H new ATOM 0 HG3 MET A 37 7.289 -6.456 0.322 1.00 0.00 H new ATOM 0 HE1 MET A 37 8.610 -5.416 -2.849 1.00 0.00 H new ATOM 0 HE2 MET A 37 7.491 -5.224 -1.478 1.00 0.00 H new ATOM 0 HE3 MET A 37 9.050 -4.366 -1.481 1.00 0.00 H new ATOM 557 N VAL A 38 7.040 -7.354 3.986 1.00 0.00 N ATOM 558 CA VAL A 38 5.882 -6.971 4.782 1.00 0.00 C ATOM 559 C VAL A 38 6.205 -5.760 5.655 1.00 0.00 C ATOM 560 O VAL A 38 5.396 -4.841 5.781 1.00 0.00 O ATOM 561 CB VAL A 38 5.411 -8.151 5.668 1.00 0.00 C ATOM 562 CG1 VAL A 38 4.522 -7.677 6.810 1.00 0.00 C ATOM 563 CG2 VAL A 38 4.687 -9.189 4.822 1.00 0.00 C ATOM 0 H VAL A 38 7.336 -8.321 4.117 1.00 0.00 H new ATOM 0 HA VAL A 38 5.077 -6.705 4.097 1.00 0.00 H new ATOM 0 HB VAL A 38 6.296 -8.609 6.111 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.212 -8.533 7.409 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.076 -6.978 7.436 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.641 -7.180 6.403 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.361 -10.013 5.457 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.819 -8.731 4.348 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.362 -9.568 4.054 1.00 0.00 H new ATOM 573 N THR A 39 7.395 -5.760 6.253 1.00 0.00 N ATOM 574 CA THR A 39 7.812 -4.651 7.106 1.00 0.00 C ATOM 575 C THR A 39 7.994 -3.383 6.278 1.00 0.00 C ATOM 576 O THR A 39 7.688 -2.281 6.736 1.00 0.00 O ATOM 577 CB THR A 39 9.105 -5.003 7.860 1.00 0.00 C ATOM 578 OG1 THR A 39 8.987 -4.671 9.232 1.00 0.00 O ATOM 579 CG2 THR A 39 10.344 -4.305 7.329 1.00 0.00 C ATOM 0 H THR A 39 8.082 -6.509 6.163 1.00 0.00 H new ATOM 0 HA THR A 39 7.030 -4.469 7.844 1.00 0.00 H new ATOM 0 HB THR A 39 9.230 -6.075 7.711 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.818 -4.903 9.697 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.212 -4.608 7.915 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.497 -4.580 6.285 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.214 -3.225 7.404 1.00 0.00 H new ATOM 587 N VAL A 40 8.478 -3.547 5.051 1.00 0.00 N ATOM 588 CA VAL A 40 8.682 -2.416 4.156 1.00 0.00 C ATOM 589 C VAL A 40 7.340 -1.890 3.661 1.00 0.00 C ATOM 590 O VAL A 40 7.156 -0.687 3.480 1.00 0.00 O ATOM 591 CB VAL A 40 9.555 -2.801 2.944 1.00 0.00 C ATOM 592 CG1 VAL A 40 9.849 -1.581 2.084 1.00 0.00 C ATOM 593 CG2 VAL A 40 10.847 -3.461 3.405 1.00 0.00 C ATOM 0 H VAL A 40 8.736 -4.451 4.655 1.00 0.00 H new ATOM 0 HA VAL A 40 9.200 -1.641 4.721 1.00 0.00 H new ATOM 0 HB VAL A 40 9.003 -3.518 2.337 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.466 -1.875 1.235 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.912 -1.156 1.723 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.380 -0.837 2.678 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.450 -3.726 2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.404 -2.769 4.036 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.613 -4.362 3.973 1.00 0.00 H new ATOM 603 N VAL A 41 6.404 -2.810 3.453 1.00 0.00 N ATOM 604 CA VAL A 41 5.070 -2.459 2.989 1.00 0.00 C ATOM 605 C VAL A 41 4.316 -1.679 4.062 1.00 0.00 C ATOM 606 O VAL A 41 3.669 -0.670 3.775 1.00 0.00 O ATOM 607 CB VAL A 41 4.268 -3.722 2.618 1.00 0.00 C ATOM 608 CG1 VAL A 41 2.904 -3.354 2.059 1.00 0.00 C ATOM 609 CG2 VAL A 41 5.046 -4.576 1.627 1.00 0.00 C ATOM 0 H VAL A 41 6.548 -3.809 3.600 1.00 0.00 H new ATOM 0 HA VAL A 41 5.181 -1.835 2.102 1.00 0.00 H new ATOM 0 HB VAL A 41 4.112 -4.305 3.525 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.358 -4.262 1.805 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.344 -2.791 2.806 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.030 -2.744 1.164 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.465 -5.463 1.376 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.237 -4.000 0.722 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.994 -4.877 2.072 1.00 0.00 H new ATOM 619 N GLU A 42 4.408 -2.155 5.299 1.00 0.00 N ATOM 620 CA GLU A 42 3.740 -1.507 6.421 1.00 0.00 C ATOM 621 C GLU A 42 4.311 -0.113 6.662 1.00 0.00 C ATOM 622 O GLU A 42 3.565 0.853 6.828 1.00 0.00 O ATOM 623 CB GLU A 42 3.882 -2.359 7.685 1.00 0.00 C ATOM 624 CG GLU A 42 2.564 -2.931 8.183 1.00 0.00 C ATOM 625 CD GLU A 42 2.723 -4.305 8.803 1.00 0.00 C ATOM 626 OE1 GLU A 42 3.051 -4.380 10.006 1.00 0.00 O ATOM 627 OE2 GLU A 42 2.518 -5.308 8.086 1.00 0.00 O ATOM 0 H GLU A 42 4.940 -2.989 5.550 1.00 0.00 H new ATOM 0 HA GLU A 42 2.682 -1.407 6.176 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.572 -3.179 7.485 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.327 -1.753 8.474 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.132 -2.252 8.918 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.861 -2.990 7.352 1.00 0.00 H new ATOM 634 N ASP A 43 5.637 -0.013 6.680 1.00 0.00 N ATOM 635 CA ASP A 43 6.301 1.266 6.900 1.00 0.00 C ATOM 636 C ASP A 43 5.905 2.274 5.821 1.00 0.00 C ATOM 637 O ASP A 43 5.653 3.444 6.110 1.00 0.00 O ATOM 638 CB ASP A 43 7.827 1.076 6.937 1.00 0.00 C ATOM 639 CG ASP A 43 8.514 1.448 5.634 1.00 0.00 C ATOM 640 OD1 ASP A 43 8.731 2.655 5.401 1.00 0.00 O ATOM 641 OD2 ASP A 43 8.832 0.532 4.848 1.00 0.00 O ATOM 0 H ASP A 43 6.271 -0.801 6.545 1.00 0.00 H new ATOM 0 HA ASP A 43 5.980 1.661 7.864 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.241 1.681 7.743 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.050 0.035 7.173 1.00 0.00 H new ATOM 646 N TRP A 44 5.861 1.808 4.576 1.00 0.00 N ATOM 647 CA TRP A 44 5.506 2.666 3.453 1.00 0.00 C ATOM 648 C TRP A 44 4.098 3.232 3.623 1.00 0.00 C ATOM 649 O TRP A 44 3.875 4.438 3.474 1.00 0.00 O ATOM 650 CB TRP A 44 5.591 1.885 2.139 1.00 0.00 C ATOM 651 CG TRP A 44 6.994 1.667 1.658 1.00 0.00 C ATOM 652 CD1 TRP A 44 8.126 2.276 2.117 1.00 0.00 C ATOM 653 CD2 TRP A 44 7.412 0.776 0.618 1.00 0.00 C ATOM 654 NE1 TRP A 44 9.222 1.818 1.427 1.00 0.00 N ATOM 655 CE2 TRP A 44 8.809 0.896 0.500 1.00 0.00 C ATOM 656 CE3 TRP A 44 6.739 -0.113 -0.225 1.00 0.00 C ATOM 657 CZ2 TRP A 44 9.545 0.160 -0.426 1.00 0.00 C ATOM 658 CZ3 TRP A 44 7.468 -0.842 -1.144 1.00 0.00 C ATOM 659 CH2 TRP A 44 8.859 -0.702 -1.238 1.00 0.00 C ATOM 0 H TRP A 44 6.067 0.842 4.321 1.00 0.00 H new ATOM 0 HA TRP A 44 6.214 3.494 3.426 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.107 0.917 2.270 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.032 2.420 1.371 1.00 0.00 H new ATOM 0 HD1 TRP A 44 8.156 3.011 2.908 1.00 0.00 H new ATOM 0 HE1 TRP A 44 10.186 2.115 1.579 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.667 -0.228 -0.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 10.617 0.266 -0.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 6.958 -1.531 -1.801 1.00 0.00 H new ATOM 0 HH2 TRP A 44 9.401 -1.287 -1.967 1.00 0.00 H new ATOM 670 N MET A 45 3.152 2.357 3.948 1.00 0.00 N ATOM 671 CA MET A 45 1.769 2.771 4.148 1.00 0.00 C ATOM 672 C MET A 45 1.656 3.700 5.349 1.00 0.00 C ATOM 673 O MET A 45 0.898 4.672 5.330 1.00 0.00 O ATOM 674 CB MET A 45 0.871 1.550 4.349 1.00 0.00 C ATOM 675 CG MET A 45 0.796 0.637 3.136 1.00 0.00 C ATOM 676 SD MET A 45 -0.455 -0.649 3.313 1.00 0.00 S ATOM 677 CE MET A 45 0.490 -1.937 4.119 1.00 0.00 C ATOM 0 H MET A 45 3.318 1.359 4.078 1.00 0.00 H new ATOM 0 HA MET A 45 1.442 3.308 3.258 1.00 0.00 H new ATOM 0 HB2 MET A 45 1.238 0.977 5.201 1.00 0.00 H new ATOM 0 HB3 MET A 45 -0.134 1.888 4.601 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.576 1.233 2.250 1.00 0.00 H new ATOM 0 HG3 MET A 45 1.769 0.173 2.975 1.00 0.00 H new ATOM 0 HE1 MET A 45 0.420 -2.857 3.539 1.00 0.00 H new ATOM 0 HE2 MET A 45 1.534 -1.632 4.191 1.00 0.00 H new ATOM 0 HE3 MET A 45 0.093 -2.108 5.119 1.00 0.00 H new ATOM 687 N ASN A 46 2.415 3.394 6.395 1.00 0.00 N ATOM 688 CA ASN A 46 2.399 4.201 7.606 1.00 0.00 C ATOM 689 C ASN A 46 3.043 5.562 7.365 1.00 0.00 C ATOM 690 O ASN A 46 2.723 6.537 8.046 1.00 0.00 O ATOM 691 CB ASN A 46 3.119 3.470 8.742 1.00 0.00 C ATOM 692 CG ASN A 46 2.323 3.482 10.032 1.00 0.00 C ATOM 693 OD1 ASN A 46 1.132 3.167 10.043 1.00 0.00 O ATOM 694 ND2 ASN A 46 2.977 3.846 11.128 1.00 0.00 N ATOM 0 H ASN A 46 3.047 2.594 6.428 1.00 0.00 H new ATOM 0 HA ASN A 46 1.359 4.361 7.891 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.308 2.439 8.444 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.090 3.936 8.913 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.493 3.873 12.025 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.964 4.099 11.073 1.00 0.00 H new ATOM 701 N PHE A 47 3.947 5.634 6.395 1.00 0.00 N ATOM 702 CA PHE A 47 4.606 6.895 6.086 1.00 0.00 C ATOM 703 C PHE A 47 3.664 7.815 5.325 1.00 0.00 C ATOM 704 O PHE A 47 3.569 9.000 5.639 1.00 0.00 O ATOM 705 CB PHE A 47 5.925 6.657 5.329 1.00 0.00 C ATOM 706 CG PHE A 47 5.982 7.194 3.918 1.00 0.00 C ATOM 707 CD1 PHE A 47 6.030 8.560 3.663 1.00 0.00 C ATOM 708 CD2 PHE A 47 6.016 6.319 2.844 1.00 0.00 C ATOM 709 CE1 PHE A 47 6.110 9.033 2.367 1.00 0.00 C ATOM 710 CE2 PHE A 47 6.091 6.790 1.548 1.00 0.00 C ATOM 711 CZ PHE A 47 6.139 8.148 1.310 1.00 0.00 C ATOM 0 H PHE A 47 4.237 4.845 5.817 1.00 0.00 H new ATOM 0 HA PHE A 47 4.864 7.393 7.021 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.736 7.107 5.901 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.114 5.584 5.297 1.00 0.00 H new ATOM 0 HD1 PHE A 47 6.004 9.259 4.486 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.983 5.254 3.023 1.00 0.00 H new ATOM 0 HE1 PHE A 47 6.150 10.096 2.182 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.112 6.096 0.721 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.199 8.518 0.297 1.00 0.00 H new ATOM 721 N TYR A 48 2.952 7.276 4.337 1.00 0.00 N ATOM 722 CA TYR A 48 2.016 8.097 3.579 1.00 0.00 C ATOM 723 C TYR A 48 0.866 8.542 4.467 1.00 0.00 C ATOM 724 O TYR A 48 0.362 9.648 4.321 1.00 0.00 O ATOM 725 CB TYR A 48 1.455 7.362 2.363 1.00 0.00 C ATOM 726 CG TYR A 48 2.453 7.141 1.249 1.00 0.00 C ATOM 727 CD1 TYR A 48 2.923 8.205 0.490 1.00 0.00 C ATOM 728 CD2 TYR A 48 2.915 5.865 0.949 1.00 0.00 C ATOM 729 CE1 TYR A 48 3.825 8.005 -0.537 1.00 0.00 C ATOM 730 CE2 TYR A 48 3.820 5.658 -0.074 1.00 0.00 C ATOM 731 CZ TYR A 48 4.271 6.730 -0.815 1.00 0.00 C ATOM 732 OH TYR A 48 5.171 6.525 -1.837 1.00 0.00 O ATOM 0 H TYR A 48 3.003 6.299 4.049 1.00 0.00 H new ATOM 0 HA TYR A 48 2.572 8.964 3.223 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.069 6.395 2.685 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.610 7.928 1.970 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.578 9.205 0.706 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.561 5.022 1.524 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.179 8.843 -1.119 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.173 4.661 -0.292 1.00 0.00 H new ATOM 0 HH TYR A 48 5.383 5.570 -1.900 1.00 0.00 H new ATOM 742 N ILE A 49 0.435 7.672 5.376 1.00 0.00 N ATOM 743 CA ILE A 49 -0.668 8.010 6.262 1.00 0.00 C ATOM 744 C ILE A 49 -0.265 9.104 7.248 1.00 0.00 C ATOM 745 O ILE A 49 -0.962 10.108 7.384 1.00 0.00 O ATOM 746 CB ILE A 49 -1.192 6.783 7.045 1.00 0.00 C ATOM 747 CG1 ILE A 49 -2.472 7.149 7.789 1.00 0.00 C ATOM 748 CG2 ILE A 49 -0.149 6.273 8.019 1.00 0.00 C ATOM 749 CD1 ILE A 49 -3.252 5.950 8.283 1.00 0.00 C ATOM 0 H ILE A 49 0.828 6.741 5.516 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.473 8.374 5.623 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.406 5.987 6.332 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.219 7.782 8.639 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.109 7.739 7.130 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.544 5.410 8.556 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.748 5.981 7.472 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.100 7.060 8.730 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.149 6.288 8.802 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.537 5.327 7.435 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.633 5.370 8.968 1.00 0.00 H new ATOM 761 N ASN A 50 0.864 8.911 7.929 1.00 0.00 N ATOM 762 CA ASN A 50 1.347 9.896 8.896 1.00 0.00 C ATOM 763 C ASN A 50 1.753 11.182 8.188 1.00 0.00 C ATOM 764 O ASN A 50 1.622 12.278 8.731 1.00 0.00 O ATOM 765 CB ASN A 50 2.534 9.333 9.680 1.00 0.00 C ATOM 766 CG ASN A 50 2.100 8.436 10.823 1.00 0.00 C ATOM 767 OD1 ASN A 50 1.497 7.384 10.608 1.00 0.00 O ATOM 768 ND2 ASN A 50 2.406 8.850 12.047 1.00 0.00 N ATOM 0 H ASN A 50 1.458 8.088 7.830 1.00 0.00 H new ATOM 0 HA ASN A 50 0.539 10.120 9.592 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.178 8.770 9.004 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.129 10.157 10.074 1.00 0.00 H new ATOM 0 HD21 ASN A 50 2.140 8.289 12.856 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.907 9.729 12.178 1.00 0.00 H new ATOM 775 N TYR A 51 2.239 11.029 6.966 1.00 0.00 N ATOM 776 CA TYR A 51 2.664 12.154 6.148 1.00 0.00 C ATOM 777 C TYR A 51 1.449 12.928 5.653 1.00 0.00 C ATOM 778 O TYR A 51 1.322 14.131 5.879 1.00 0.00 O ATOM 779 CB TYR A 51 3.490 11.606 4.981 1.00 0.00 C ATOM 780 CG TYR A 51 3.854 12.585 3.887 1.00 0.00 C ATOM 781 CD1 TYR A 51 3.633 13.955 3.996 1.00 0.00 C ATOM 782 CD2 TYR A 51 4.442 12.110 2.725 1.00 0.00 C ATOM 783 CE1 TYR A 51 3.989 14.812 2.973 1.00 0.00 C ATOM 784 CE2 TYR A 51 4.801 12.957 1.704 1.00 0.00 C ATOM 785 CZ TYR A 51 4.573 14.309 1.830 1.00 0.00 C ATOM 786 OH TYR A 51 4.930 15.161 0.809 1.00 0.00 O ATOM 0 H TYR A 51 2.350 10.122 6.514 1.00 0.00 H new ATOM 0 HA TYR A 51 3.274 12.845 6.730 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.412 11.188 5.384 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.937 10.782 4.530 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.178 14.353 4.891 1.00 0.00 H new ATOM 0 HD2 TYR A 51 4.622 11.050 2.620 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.810 15.873 3.068 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.259 12.564 0.808 1.00 0.00 H new ATOM 0 HH TYR A 51 5.329 14.646 0.077 1.00 0.00 H new ATOM 796 N TYR A 52 0.559 12.217 4.988 1.00 0.00 N ATOM 797 CA TYR A 52 -0.660 12.802 4.453 1.00 0.00 C ATOM 798 C TYR A 52 -1.504 13.403 5.567 1.00 0.00 C ATOM 799 O TYR A 52 -2.238 14.368 5.352 1.00 0.00 O ATOM 800 CB TYR A 52 -1.451 11.742 3.685 1.00 0.00 C ATOM 801 CG TYR A 52 -0.856 11.430 2.329 1.00 0.00 C ATOM 802 CD1 TYR A 52 0.518 11.479 2.128 1.00 0.00 C ATOM 803 CD2 TYR A 52 -1.662 11.112 1.246 1.00 0.00 C ATOM 804 CE1 TYR A 52 1.070 11.223 0.895 1.00 0.00 C ATOM 805 CE2 TYR A 52 -1.116 10.856 0.004 1.00 0.00 C ATOM 806 CZ TYR A 52 0.251 10.915 -0.166 1.00 0.00 C ATOM 807 OH TYR A 52 0.801 10.669 -1.401 1.00 0.00 O ATOM 0 H TYR A 52 0.658 11.219 4.802 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.392 13.605 3.767 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.493 10.828 4.277 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.477 12.085 3.555 1.00 0.00 H new ATOM 0 HD1 TYR A 52 1.166 11.723 2.957 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.733 11.064 1.376 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.141 11.264 0.760 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.757 10.611 -0.830 1.00 0.00 H new ATOM 0 HH TYR A 52 1.662 10.214 -1.291 1.00 0.00 H new ATOM 817 N ARG A 53 -1.378 12.845 6.766 1.00 0.00 N ATOM 818 CA ARG A 53 -2.115 13.349 7.914 1.00 0.00 C ATOM 819 C ARG A 53 -1.656 14.766 8.240 1.00 0.00 C ATOM 820 O ARG A 53 -2.406 15.557 8.811 1.00 0.00 O ATOM 821 CB ARG A 53 -1.912 12.438 9.130 1.00 0.00 C ATOM 822 CG ARG A 53 -3.201 11.819 9.648 1.00 0.00 C ATOM 823 CD ARG A 53 -3.116 10.301 9.707 1.00 0.00 C ATOM 824 NE ARG A 53 -2.879 9.818 11.066 1.00 0.00 N ATOM 825 CZ ARG A 53 -3.261 8.621 11.508 1.00 0.00 C ATOM 826 NH1 ARG A 53 -3.875 7.768 10.698 1.00 0.00 N ATOM 827 NH2 ARG A 53 -3.018 8.274 12.765 1.00 0.00 N ATOM 0 H ARG A 53 -0.775 12.047 6.966 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.177 13.362 7.668 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.217 11.641 8.865 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.447 13.013 9.931 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.418 12.210 10.642 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.029 12.112 9.003 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.042 9.871 9.326 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.313 9.957 9.055 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.391 10.435 11.715 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.058 8.027 9.728 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.164 6.853 11.045 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.540 8.923 13.390 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.309 7.358 13.107 1.00 0.00 H new ATOM 841 N GLN A 54 -0.412 15.074 7.877 1.00 0.00 N ATOM 842 CA GLN A 54 0.157 16.389 8.129 1.00 0.00 C ATOM 843 C GLN A 54 -0.322 17.403 7.094 1.00 0.00 C ATOM 844 O GLN A 54 -0.491 18.581 7.410 1.00 0.00 O ATOM 845 CB GLN A 54 1.692 16.312 8.144 1.00 0.00 C ATOM 846 CG GLN A 54 2.361 16.815 6.871 1.00 0.00 C ATOM 847 CD GLN A 54 3.873 16.701 6.921 1.00 0.00 C ATOM 848 OE1 GLN A 54 4.579 17.703 7.030 1.00 0.00 O ATOM 849 NE2 GLN A 54 4.377 15.476 6.839 1.00 0.00 N ATOM 0 H GLN A 54 0.220 14.426 7.406 1.00 0.00 H new ATOM 0 HA GLN A 54 -0.185 16.726 9.108 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.064 16.892 8.989 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.990 15.277 8.312 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.986 16.247 6.019 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.084 17.856 6.707 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.754 14.673 6.750 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.387 15.337 6.865 1.00 0.00 H new ATOM 858 N GLN A 55 -0.534 16.954 5.856 1.00 0.00 N ATOM 859 CA GLN A 55 -0.985 17.840 4.785 1.00 0.00 C ATOM 860 C GLN A 55 -2.482 18.133 4.895 1.00 0.00 C ATOM 861 O GLN A 55 -3.204 18.096 3.898 1.00 0.00 O ATOM 862 CB GLN A 55 -0.690 17.193 3.427 1.00 0.00 C ATOM 863 CG GLN A 55 0.727 16.660 3.284 1.00 0.00 C ATOM 864 CD GLN A 55 1.477 17.309 2.139 1.00 0.00 C ATOM 865 OE1 GLN A 55 0.956 17.428 1.029 1.00 0.00 O ATOM 866 NE2 GLN A 55 2.706 17.732 2.403 1.00 0.00 N ATOM 0 H GLN A 55 -0.401 15.984 5.572 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.446 18.783 4.876 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.392 16.374 3.267 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.871 17.926 2.641 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.271 16.829 4.213 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.692 15.582 3.127 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.097 17.612 3.338 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.260 18.177 1.672 1.00 0.00 H new ATOM 927 N PRO A 60 -11.599 18.528 8.468 1.00 0.00 N ATOM 928 CA PRO A 60 -11.588 17.197 9.085 1.00 0.00 C ATOM 929 C PRO A 60 -12.040 16.116 8.113 1.00 0.00 C ATOM 930 O PRO A 60 -11.396 15.074 7.981 1.00 0.00 O ATOM 931 CB PRO A 60 -12.579 17.321 10.245 1.00 0.00 C ATOM 932 CG PRO A 60 -13.453 18.475 9.887 1.00 0.00 C ATOM 933 CD PRO A 60 -12.594 19.418 9.090 1.00 0.00 C ATOM 0 HA PRO A 60 -10.587 16.904 9.402 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.162 16.408 10.365 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.062 17.496 11.188 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -14.314 18.146 9.305 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -13.840 18.963 10.782 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -13.175 19.956 8.342 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -12.122 20.167 9.726 1.00 0.00 H new ATOM 941 N GLN A 61 -13.146 16.375 7.423 1.00 0.00 N ATOM 942 CA GLN A 61 -13.677 15.428 6.452 1.00 0.00 C ATOM 943 C GLN A 61 -12.629 15.122 5.387 1.00 0.00 C ATOM 944 O GLN A 61 -12.558 14.007 4.873 1.00 0.00 O ATOM 945 CB GLN A 61 -14.941 15.984 5.795 1.00 0.00 C ATOM 946 CG GLN A 61 -16.135 16.048 6.731 1.00 0.00 C ATOM 947 CD GLN A 61 -17.001 14.805 6.655 1.00 0.00 C ATOM 948 OE1 GLN A 61 -17.890 14.704 5.809 1.00 0.00 O ATOM 949 NE2 GLN A 61 -16.746 13.850 7.543 1.00 0.00 N ATOM 0 H GLN A 61 -13.691 17.232 7.519 1.00 0.00 H new ATOM 0 HA GLN A 61 -13.932 14.506 6.975 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -14.733 16.985 5.416 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -15.196 15.364 4.936 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -15.783 16.180 7.754 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -16.738 16.922 6.486 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -16.000 13.975 8.227 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -17.297 12.991 7.541 1.00 0.00 H new ATOM 958 N GLU A 62 -11.815 16.123 5.071 1.00 0.00 N ATOM 959 CA GLU A 62 -10.763 15.967 4.074 1.00 0.00 C ATOM 960 C GLU A 62 -9.780 14.881 4.491 1.00 0.00 C ATOM 961 O GLU A 62 -9.423 14.016 3.692 1.00 0.00 O ATOM 962 CB GLU A 62 -10.023 17.288 3.865 1.00 0.00 C ATOM 963 CG GLU A 62 -10.617 18.150 2.764 1.00 0.00 C ATOM 964 CD GLU A 62 -9.615 19.131 2.190 1.00 0.00 C ATOM 965 OE1 GLU A 62 -9.183 20.040 2.929 1.00 0.00 O ATOM 966 OE2 GLU A 62 -9.259 18.988 1.000 1.00 0.00 O ATOM 0 H GLU A 62 -11.864 17.051 5.491 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.230 15.672 3.134 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.030 17.850 4.799 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.980 17.077 3.627 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.990 17.508 1.966 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.473 18.698 3.158 1.00 0.00 H new ATOM 973 N ARG A 63 -9.347 14.924 5.749 1.00 0.00 N ATOM 974 CA ARG A 63 -8.409 13.930 6.258 1.00 0.00 C ATOM 975 C ARG A 63 -9.043 12.548 6.233 1.00 0.00 C ATOM 976 O ARG A 63 -8.457 11.597 5.742 1.00 0.00 O ATOM 977 CB ARG A 63 -7.999 14.263 7.693 1.00 0.00 C ATOM 978 CG ARG A 63 -7.246 15.573 7.834 1.00 0.00 C ATOM 979 CD ARG A 63 -7.014 15.926 9.294 1.00 0.00 C ATOM 980 NE ARG A 63 -7.384 17.308 9.589 1.00 0.00 N ATOM 981 CZ ARG A 63 -7.607 17.768 10.818 1.00 0.00 C ATOM 982 NH1 ARG A 63 -7.502 16.960 11.865 1.00 0.00 N ATOM 983 NH2 ARG A 63 -7.936 19.039 10.999 1.00 0.00 N ATOM 0 H ARG A 63 -9.629 15.631 6.429 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.526 13.941 5.619 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.893 14.301 8.315 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.377 13.455 8.078 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.288 15.501 7.319 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.809 16.371 7.350 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.593 15.253 9.926 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.964 15.771 9.542 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.477 17.958 8.808 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -7.249 15.981 11.730 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -7.674 17.318 12.805 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -8.018 19.664 10.197 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -8.107 19.392 11.940 1.00 0.00 H new ATOM 997 N ASP A 64 -10.234 12.465 6.799 1.00 0.00 N ATOM 998 CA ASP A 64 -10.981 11.213 6.895 1.00 0.00 C ATOM 999 C ASP A 64 -11.373 10.639 5.534 1.00 0.00 C ATOM 1000 O ASP A 64 -11.443 9.417 5.371 1.00 0.00 O ATOM 1001 CB ASP A 64 -12.230 11.405 7.755 1.00 0.00 C ATOM 1002 CG ASP A 64 -12.494 10.222 8.665 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -13.039 9.209 8.177 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -12.157 10.307 9.864 1.00 0.00 O ATOM 0 H ASP A 64 -10.717 13.265 7.208 1.00 0.00 H new ATOM 0 HA ASP A 64 -10.312 10.491 7.363 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.117 12.306 8.358 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.093 11.561 7.108 1.00 0.00 H new ATOM 1009 N LYS A 65 -11.610 11.500 4.552 1.00 0.00 N ATOM 1010 CA LYS A 65 -11.977 11.030 3.222 1.00 0.00 C ATOM 1011 C LYS A 65 -10.758 10.511 2.485 1.00 0.00 C ATOM 1012 O LYS A 65 -10.780 9.420 1.914 1.00 0.00 O ATOM 1013 CB LYS A 65 -12.654 12.141 2.415 1.00 0.00 C ATOM 1014 CG LYS A 65 -14.155 11.954 2.272 1.00 0.00 C ATOM 1015 CD LYS A 65 -14.869 13.285 2.095 1.00 0.00 C ATOM 1016 CE LYS A 65 -16.363 13.154 2.341 1.00 0.00 C ATOM 1017 NZ LYS A 65 -17.043 14.479 2.359 1.00 0.00 N ATOM 0 H LYS A 65 -11.556 12.514 4.649 1.00 0.00 H new ATOM 0 HA LYS A 65 -12.688 10.212 3.339 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.459 13.100 2.896 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.205 12.185 1.423 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.363 11.312 1.416 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.545 11.445 3.154 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -14.449 14.018 2.783 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -14.697 13.660 1.086 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -16.805 12.530 1.564 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -16.531 12.647 3.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -18.060 14.345 2.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -16.639 15.066 3.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -16.905 14.952 1.443 1.00 0.00 H new ATOM 1031 N ALA A 66 -9.689 11.285 2.512 1.00 0.00 N ATOM 1032 CA ALA A 66 -8.460 10.883 1.859 1.00 0.00 C ATOM 1033 C ALA A 66 -7.833 9.719 2.607 1.00 0.00 C ATOM 1034 O ALA A 66 -7.264 8.814 2.001 1.00 0.00 O ATOM 1035 CB ALA A 66 -7.490 12.052 1.781 1.00 0.00 C ATOM 0 H ALA A 66 -9.648 12.192 2.977 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.690 10.564 0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.573 11.731 1.287 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.943 12.864 1.212 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.258 12.400 2.788 1.00 0.00 H new ATOM 1041 N LEU A 67 -7.923 9.759 3.934 1.00 0.00 N ATOM 1042 CA LEU A 67 -7.347 8.718 4.765 1.00 0.00 C ATOM 1043 C LEU A 67 -8.048 7.387 4.559 1.00 0.00 C ATOM 1044 O LEU A 67 -7.386 6.351 4.511 1.00 0.00 O ATOM 1045 CB LEU A 67 -7.391 9.110 6.244 1.00 0.00 C ATOM 1046 CG LEU A 67 -6.139 9.827 6.760 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -5.780 11.008 5.868 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -6.339 10.287 8.195 1.00 0.00 C ATOM 0 H LEU A 67 -8.390 10.503 4.452 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.306 8.604 4.462 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.254 9.755 6.408 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.547 8.210 6.839 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.311 9.118 6.735 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.888 11.499 6.256 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.587 10.654 4.855 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.607 11.717 5.853 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.439 10.794 8.543 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.184 10.974 8.242 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.538 9.423 8.830 1.00 0.00 H new ATOM 1060 N GLN A 68 -9.376 7.386 4.416 1.00 0.00 N ATOM 1061 CA GLN A 68 -10.086 6.136 4.197 1.00 0.00 C ATOM 1062 C GLN A 68 -9.900 5.663 2.764 1.00 0.00 C ATOM 1063 O GLN A 68 -9.855 4.462 2.495 1.00 0.00 O ATOM 1064 CB GLN A 68 -11.575 6.295 4.516 1.00 0.00 C ATOM 1065 CG GLN A 68 -12.278 7.344 3.666 1.00 0.00 C ATOM 1066 CD GLN A 68 -12.857 6.768 2.387 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -12.279 6.913 1.310 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -14.006 6.113 2.500 1.00 0.00 N ATOM 0 H GLN A 68 -9.964 8.219 4.448 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.669 5.385 4.869 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -12.071 5.335 4.375 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.685 6.560 5.568 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -13.078 7.802 4.248 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.572 8.136 3.416 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.451 6.017 3.413 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.444 5.706 1.674 1.00 0.00 H new ATOM 1077 N GLU A 69 -9.782 6.615 1.844 1.00 0.00 N ATOM 1078 CA GLU A 69 -9.589 6.291 0.440 1.00 0.00 C ATOM 1079 C GLU A 69 -8.198 5.721 0.223 1.00 0.00 C ATOM 1080 O GLU A 69 -8.028 4.710 -0.458 1.00 0.00 O ATOM 1081 CB GLU A 69 -9.798 7.533 -0.431 1.00 0.00 C ATOM 1082 CG GLU A 69 -11.118 7.529 -1.188 1.00 0.00 C ATOM 1083 CD GLU A 69 -10.937 7.745 -2.678 1.00 0.00 C ATOM 1084 OE1 GLU A 69 -10.447 6.819 -3.357 1.00 0.00 O ATOM 1085 OE2 GLU A 69 -11.289 8.841 -3.165 1.00 0.00 O ATOM 0 H GLU A 69 -9.817 7.614 2.047 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.325 5.541 0.151 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.753 8.421 0.200 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.979 7.608 -1.146 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.625 6.579 -1.021 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.765 8.310 -0.787 1.00 0.00 H new ATOM 1092 N LEU A 70 -7.206 6.365 0.825 1.00 0.00 N ATOM 1093 CA LEU A 70 -5.832 5.902 0.711 1.00 0.00 C ATOM 1094 C LEU A 70 -5.717 4.521 1.332 1.00 0.00 C ATOM 1095 O LEU A 70 -5.158 3.601 0.736 1.00 0.00 O ATOM 1096 CB LEU A 70 -4.873 6.879 1.397 1.00 0.00 C ATOM 1097 CG LEU A 70 -3.535 7.082 0.684 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -3.727 7.888 -0.590 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -2.542 7.773 1.606 1.00 0.00 C ATOM 0 H LEU A 70 -7.327 7.203 1.393 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.559 5.849 -0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.368 7.846 1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.678 6.523 2.408 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.135 6.104 0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.765 8.023 -1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.406 7.358 -1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.148 8.863 -0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.595 7.910 1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.937 8.745 1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.382 7.160 2.493 1.00 0.00 H new ATOM 1111 N ARG A 71 -6.243 4.387 2.547 1.00 0.00 N ATOM 1112 CA ARG A 71 -6.191 3.119 3.261 1.00 0.00 C ATOM 1113 C ARG A 71 -6.800 2.000 2.426 1.00 0.00 C ATOM 1114 O ARG A 71 -6.225 0.920 2.327 1.00 0.00 O ATOM 1115 CB ARG A 71 -6.921 3.227 4.602 1.00 0.00 C ATOM 1116 CG ARG A 71 -6.041 2.907 5.799 1.00 0.00 C ATOM 1117 CD ARG A 71 -6.754 2.001 6.790 1.00 0.00 C ATOM 1118 NE ARG A 71 -6.330 0.608 6.663 1.00 0.00 N ATOM 1119 CZ ARG A 71 -5.206 0.125 7.185 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -4.389 0.917 7.869 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -4.897 -1.154 7.023 1.00 0.00 N ATOM 0 H ARG A 71 -6.708 5.140 3.054 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.144 2.882 3.447 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.316 4.237 4.711 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.775 2.550 4.597 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.124 2.425 5.459 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.750 3.833 6.295 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.558 2.348 7.804 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.830 2.068 6.633 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.931 -0.031 6.143 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -4.622 1.902 7.997 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.529 0.541 8.267 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.521 -1.767 6.498 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.035 -1.525 7.423 1.00 0.00 H new ATOM 1135 N GLN A 72 -7.957 2.255 1.818 1.00 0.00 N ATOM 1136 CA GLN A 72 -8.610 1.248 0.992 1.00 0.00 C ATOM 1137 C GLN A 72 -7.756 0.919 -0.227 1.00 0.00 C ATOM 1138 O GLN A 72 -7.615 -0.243 -0.606 1.00 0.00 O ATOM 1139 CB GLN A 72 -9.989 1.735 0.546 1.00 0.00 C ATOM 1140 CG GLN A 72 -10.832 0.654 -0.111 1.00 0.00 C ATOM 1141 CD GLN A 72 -11.573 1.156 -1.335 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -12.802 1.239 -1.340 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -10.828 1.495 -2.381 1.00 0.00 N ATOM 0 H GLN A 72 -8.456 3.142 1.882 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.731 0.344 1.589 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -10.524 2.126 1.411 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.865 2.562 -0.153 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.190 -0.179 -0.396 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -11.551 0.269 0.612 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -9.813 1.410 -2.333 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.271 1.840 -3.232 1.00 0.00 H new ATOM 1152 N GLU A 73 -7.185 1.954 -0.836 1.00 0.00 N ATOM 1153 CA GLU A 73 -6.338 1.778 -2.009 1.00 0.00 C ATOM 1154 C GLU A 73 -5.137 0.900 -1.676 1.00 0.00 C ATOM 1155 O GLU A 73 -4.813 -0.027 -2.411 1.00 0.00 O ATOM 1156 CB GLU A 73 -5.868 3.136 -2.536 1.00 0.00 C ATOM 1157 CG GLU A 73 -6.599 3.590 -3.789 1.00 0.00 C ATOM 1158 CD GLU A 73 -6.063 2.935 -5.047 1.00 0.00 C ATOM 1159 OE1 GLU A 73 -6.469 1.791 -5.340 1.00 0.00 O ATOM 1160 OE2 GLU A 73 -5.235 3.565 -5.738 1.00 0.00 O ATOM 0 H GLU A 73 -7.294 2.923 -0.536 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.925 1.285 -2.784 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.002 3.885 -1.756 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.800 3.084 -2.747 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.660 3.362 -3.689 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.513 4.673 -3.883 1.00 0.00 H new ATOM 1167 N LEU A 74 -4.499 1.190 -0.546 1.00 0.00 N ATOM 1168 CA LEU A 74 -3.352 0.405 -0.104 1.00 0.00 C ATOM 1169 C LEU A 74 -3.801 -1.002 0.279 1.00 0.00 C ATOM 1170 O LEU A 74 -3.169 -1.993 -0.085 1.00 0.00 O ATOM 1171 CB LEU A 74 -2.666 1.082 1.083 1.00 0.00 C ATOM 1172 CG LEU A 74 -2.224 2.526 0.838 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -2.391 3.357 2.099 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -0.781 2.565 0.357 1.00 0.00 C ATOM 0 H LEU A 74 -4.754 1.957 0.076 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.637 0.338 -0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.347 1.066 1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.792 0.493 1.362 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.857 2.954 0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.071 4.381 1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.439 3.355 2.400 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.783 2.932 2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.482 3.599 0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.134 2.119 1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.692 2.004 -0.574 1.00 0.00 H new ATOM 1186 N ASN A 75 -4.889 -1.071 1.041 1.00 0.00 N ATOM 1187 CA ASN A 75 -5.426 -2.348 1.506 1.00 0.00 C ATOM 1188 C ASN A 75 -5.645 -3.308 0.344 1.00 0.00 C ATOM 1189 O ASN A 75 -5.289 -4.483 0.423 1.00 0.00 O ATOM 1190 CB ASN A 75 -6.740 -2.137 2.262 1.00 0.00 C ATOM 1191 CG ASN A 75 -6.818 -2.969 3.526 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -6.508 -4.160 3.521 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -7.232 -2.342 4.622 1.00 0.00 N ATOM 0 H ASN A 75 -5.418 -0.256 1.351 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.694 -2.788 2.183 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.844 -1.082 2.517 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.576 -2.391 1.610 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.303 -2.849 5.504 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.479 -1.353 4.581 1.00 0.00 H new ATOM 1200 N THR A 76 -6.219 -2.801 -0.736 1.00 0.00 N ATOM 1201 CA THR A 76 -6.465 -3.626 -1.911 1.00 0.00 C ATOM 1202 C THR A 76 -5.195 -3.753 -2.743 1.00 0.00 C ATOM 1203 O THR A 76 -4.793 -4.847 -3.110 1.00 0.00 O ATOM 1204 CB THR A 76 -7.588 -3.027 -2.757 1.00 0.00 C ATOM 1205 OG1 THR A 76 -8.725 -2.749 -1.958 1.00 0.00 O ATOM 1206 CG2 THR A 76 -8.032 -3.928 -3.889 1.00 0.00 C ATOM 0 H THR A 76 -6.521 -1.831 -0.825 1.00 0.00 H new ATOM 0 HA THR A 76 -6.769 -4.619 -1.579 1.00 0.00 H new ATOM 0 HB THR A 76 -7.172 -2.114 -3.183 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.560 -1.945 -1.423 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.831 -3.442 -4.449 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.189 -4.121 -4.553 1.00 0.00 H new ATOM 0 HG23 THR A 76 -8.396 -4.871 -3.482 1.00 0.00 H new ATOM 1214 N LEU A 77 -4.583 -2.617 -3.049 1.00 0.00 N ATOM 1215 CA LEU A 77 -3.363 -2.579 -3.858 1.00 0.00 C ATOM 1216 C LEU A 77 -2.299 -3.553 -3.346 1.00 0.00 C ATOM 1217 O LEU A 77 -1.717 -4.313 -4.120 1.00 0.00 O ATOM 1218 CB LEU A 77 -2.795 -1.158 -3.874 1.00 0.00 C ATOM 1219 CG LEU A 77 -3.492 -0.192 -4.835 1.00 0.00 C ATOM 1220 CD1 LEU A 77 -2.977 1.225 -4.634 1.00 0.00 C ATOM 1221 CD2 LEU A 77 -3.290 -0.635 -6.277 1.00 0.00 C ATOM 0 H LEU A 77 -4.912 -1.700 -2.748 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.632 -2.886 -4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.853 -0.748 -2.866 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.738 -1.208 -4.137 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.560 -0.203 -4.619 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.484 1.898 -5.326 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.174 1.542 -3.610 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.904 1.252 -4.822 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.792 0.064 -6.946 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.224 -0.654 -6.506 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.708 -1.632 -6.413 1.00 0.00 H new ATOM 1233 N ALA A 78 -2.043 -3.513 -2.043 1.00 0.00 N ATOM 1234 CA ALA A 78 -1.043 -4.381 -1.421 1.00 0.00 C ATOM 1235 C ALA A 78 -1.534 -5.821 -1.263 1.00 0.00 C ATOM 1236 O ALA A 78 -0.734 -6.751 -1.159 1.00 0.00 O ATOM 1237 CB ALA A 78 -0.634 -3.816 -0.069 1.00 0.00 C ATOM 0 H ALA A 78 -2.516 -2.886 -1.392 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.180 -4.408 -2.086 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.111 -4.468 0.388 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.211 -2.820 -0.204 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.508 -3.754 0.579 1.00 0.00 H new ATOM 1243 N ASN A 79 -2.850 -5.993 -1.203 1.00 0.00 N ATOM 1244 CA ASN A 79 -3.448 -7.315 -1.004 1.00 0.00 C ATOM 1245 C ASN A 79 -2.921 -8.363 -1.992 1.00 0.00 C ATOM 1246 O ASN A 79 -2.528 -9.456 -1.584 1.00 0.00 O ATOM 1247 CB ASN A 79 -4.971 -7.217 -1.119 1.00 0.00 C ATOM 1248 CG ASN A 79 -5.681 -7.800 0.087 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -6.088 -8.962 0.081 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -5.835 -6.992 1.131 1.00 0.00 N ATOM 0 H ASN A 79 -3.527 -5.235 -1.289 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.164 -7.646 -0.005 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.257 -6.172 -1.235 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.299 -7.739 -2.018 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.306 -7.328 1.971 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.482 -6.036 1.092 1.00 0.00 H new ATOM 1257 N PRO A 80 -2.915 -8.065 -3.304 1.00 0.00 N ATOM 1258 CA PRO A 80 -2.449 -9.012 -4.321 1.00 0.00 C ATOM 1259 C PRO A 80 -0.937 -9.205 -4.323 1.00 0.00 C ATOM 1260 O PRO A 80 -0.450 -10.263 -4.720 1.00 0.00 O ATOM 1261 CB PRO A 80 -2.900 -8.371 -5.633 1.00 0.00 C ATOM 1262 CG PRO A 80 -2.952 -6.916 -5.337 1.00 0.00 C ATOM 1263 CD PRO A 80 -3.385 -6.807 -3.902 1.00 0.00 C ATOM 0 HA PRO A 80 -2.852 -10.009 -4.145 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.201 -8.587 -6.441 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.874 -8.748 -5.945 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -1.978 -6.451 -5.488 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.654 -6.407 -5.997 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.940 -5.940 -3.414 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.466 -6.701 -3.816 1.00 0.00 H new ATOM 1271 N PHE A 81 -0.187 -8.198 -3.879 1.00 0.00 N ATOM 1272 CA PHE A 81 1.268 -8.298 -3.852 1.00 0.00 C ATOM 1273 C PHE A 81 1.723 -9.160 -2.682 1.00 0.00 C ATOM 1274 O PHE A 81 2.458 -10.130 -2.864 1.00 0.00 O ATOM 1275 CB PHE A 81 1.868 -6.892 -3.744 1.00 0.00 C ATOM 1276 CG PHE A 81 3.372 -6.838 -3.670 1.00 0.00 C ATOM 1277 CD1 PHE A 81 4.153 -7.957 -3.917 1.00 0.00 C ATOM 1278 CD2 PHE A 81 4.004 -5.646 -3.356 1.00 0.00 C ATOM 1279 CE1 PHE A 81 5.531 -7.885 -3.848 1.00 0.00 C ATOM 1280 CE2 PHE A 81 5.380 -5.567 -3.287 1.00 0.00 C ATOM 1281 CZ PHE A 81 6.145 -6.689 -3.532 1.00 0.00 C ATOM 0 H PHE A 81 -0.560 -7.312 -3.536 1.00 0.00 H new ATOM 0 HA PHE A 81 1.613 -8.769 -4.772 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.542 -6.308 -4.605 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.459 -6.408 -2.857 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.679 -8.895 -4.166 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.411 -4.765 -3.162 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.128 -8.764 -4.041 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.857 -4.629 -3.042 1.00 0.00 H new ATOM 0 HZ PHE A 81 7.222 -6.632 -3.477 1.00 0.00 H new ATOM 1291 N LEU A 82 1.284 -8.805 -1.480 1.00 0.00 N ATOM 1292 CA LEU A 82 1.657 -9.556 -0.289 1.00 0.00 C ATOM 1293 C LEU A 82 1.296 -11.027 -0.447 1.00 0.00 C ATOM 1294 O LEU A 82 2.071 -11.906 -0.072 1.00 0.00 O ATOM 1295 CB LEU A 82 0.976 -8.969 0.950 1.00 0.00 C ATOM 1296 CG LEU A 82 1.813 -7.956 1.735 1.00 0.00 C ATOM 1297 CD1 LEU A 82 3.188 -8.526 2.049 1.00 0.00 C ATOM 1298 CD2 LEU A 82 1.941 -6.654 0.959 1.00 0.00 C ATOM 0 H LEU A 82 0.673 -8.007 -1.305 1.00 0.00 H new ATOM 0 HA LEU A 82 2.737 -9.479 -0.160 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.048 -8.488 0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.704 -9.787 1.617 1.00 0.00 H new ATOM 0 HG LEU A 82 1.304 -7.748 2.676 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.768 -7.791 2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.079 -9.431 2.646 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.704 -8.765 1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.539 -5.946 1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.426 -6.847 0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.950 -6.235 0.786 1.00 0.00 H new ATOM 1310 N ALA A 83 0.123 -11.291 -1.011 1.00 0.00 N ATOM 1311 CA ALA A 83 -0.320 -12.661 -1.221 1.00 0.00 C ATOM 1312 C ALA A 83 0.564 -13.357 -2.245 1.00 0.00 C ATOM 1313 O ALA A 83 1.023 -14.478 -2.022 1.00 0.00 O ATOM 1314 CB ALA A 83 -1.775 -12.690 -1.664 1.00 0.00 C ATOM 0 H ALA A 83 -0.534 -10.578 -1.329 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.238 -13.197 -0.276 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.088 -13.723 -1.816 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.398 -12.231 -0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.882 -12.137 -2.597 1.00 0.00 H new ATOM 1320 N LYS A 84 0.807 -12.687 -3.364 1.00 0.00 N ATOM 1321 CA LYS A 84 1.648 -13.250 -4.413 1.00 0.00 C ATOM 1322 C LYS A 84 3.042 -13.547 -3.876 1.00 0.00 C ATOM 1323 O LYS A 84 3.654 -14.555 -4.237 1.00 0.00 O ATOM 1324 CB LYS A 84 1.738 -12.303 -5.611 1.00 0.00 C ATOM 1325 CG LYS A 84 1.721 -13.022 -6.949 1.00 0.00 C ATOM 1326 CD LYS A 84 2.634 -12.347 -7.958 1.00 0.00 C ATOM 1327 CE LYS A 84 2.526 -12.994 -9.329 1.00 0.00 C ATOM 1328 NZ LYS A 84 3.623 -13.973 -9.568 1.00 0.00 N ATOM 0 H LYS A 84 0.437 -11.759 -3.568 1.00 0.00 H new ATOM 0 HA LYS A 84 1.191 -14.182 -4.746 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.905 -11.601 -5.573 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.653 -11.716 -5.533 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.033 -14.057 -6.810 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.703 -13.045 -7.337 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.377 -11.290 -8.032 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.665 -12.401 -7.610 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.564 -13.498 -9.418 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.554 -12.222 -10.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.514 -14.392 -10.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.541 -13.487 -9.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.581 -14.724 -8.849 1.00 0.00 H new ATOM 1342 N TYR A 85 3.538 -12.680 -2.996 1.00 0.00 N ATOM 1343 CA TYR A 85 4.855 -12.892 -2.414 1.00 0.00 C ATOM 1344 C TYR A 85 4.808 -14.088 -1.476 1.00 0.00 C ATOM 1345 O TYR A 85 5.636 -14.992 -1.565 1.00 0.00 O ATOM 1346 CB TYR A 85 5.338 -11.646 -1.672 1.00 0.00 C ATOM 1347 CG TYR A 85 6.832 -11.445 -1.771 1.00 0.00 C ATOM 1348 CD1 TYR A 85 7.411 -10.981 -2.945 1.00 0.00 C ATOM 1349 CD2 TYR A 85 7.665 -11.731 -0.697 1.00 0.00 C ATOM 1350 CE1 TYR A 85 8.778 -10.809 -3.047 1.00 0.00 C ATOM 1351 CE2 TYR A 85 9.032 -11.560 -0.790 1.00 0.00 C ATOM 1352 CZ TYR A 85 9.584 -11.100 -1.967 1.00 0.00 C ATOM 1353 OH TYR A 85 10.945 -10.935 -2.065 1.00 0.00 O ATOM 0 H TYR A 85 3.056 -11.840 -2.677 1.00 0.00 H new ATOM 0 HA TYR A 85 5.564 -13.091 -3.217 1.00 0.00 H new ATOM 0 HB2 TYR A 85 4.831 -10.770 -2.076 1.00 0.00 H new ATOM 0 HB3 TYR A 85 5.056 -11.722 -0.622 1.00 0.00 H new ATOM 0 HD1 TYR A 85 6.782 -10.751 -3.792 1.00 0.00 H new ATOM 0 HD2 TYR A 85 7.237 -12.093 0.226 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.213 -10.449 -3.968 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.666 -11.785 0.055 1.00 0.00 H new ATOM 0 HH TYR A 85 11.395 -11.561 -1.460 1.00 0.00 H new ATOM 1363 N ARG A 86 3.850 -14.075 -0.553 1.00 0.00 N ATOM 1364 CA ARG A 86 3.728 -15.153 0.419 1.00 0.00 C ATOM 1365 C ARG A 86 3.663 -16.498 -0.296 1.00 0.00 C ATOM 1366 O ARG A 86 4.400 -17.422 0.047 1.00 0.00 O ATOM 1367 CB ARG A 86 2.477 -14.953 1.280 1.00 0.00 C ATOM 1368 CG ARG A 86 2.771 -14.872 2.769 1.00 0.00 C ATOM 1369 CD ARG A 86 1.858 -13.876 3.465 1.00 0.00 C ATOM 1370 NE ARG A 86 0.446 -14.220 3.307 1.00 0.00 N ATOM 1371 CZ ARG A 86 -0.177 -15.149 4.028 1.00 0.00 C ATOM 1372 NH1 ARG A 86 0.482 -15.829 4.959 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -1.462 -15.398 3.819 1.00 0.00 N ATOM 0 H ARG A 86 3.153 -13.336 -0.459 1.00 0.00 H new ATOM 0 HA ARG A 86 4.604 -15.140 1.068 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.973 -14.039 0.967 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.786 -15.776 1.099 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.647 -15.857 3.219 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.811 -14.581 2.920 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.105 -13.839 4.526 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.035 -12.879 3.061 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.094 -13.718 2.602 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.471 -15.640 5.124 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.000 -16.540 5.509 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.973 -14.878 3.106 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.940 -16.110 4.371 1.00 0.00 H new ATOM 1387 N ASP A 87 2.806 -16.605 -1.304 1.00 0.00 N ATOM 1388 CA ASP A 87 2.696 -17.842 -2.063 1.00 0.00 C ATOM 1389 C ASP A 87 4.014 -18.134 -2.776 1.00 0.00 C ATOM 1390 O ASP A 87 4.412 -19.290 -2.925 1.00 0.00 O ATOM 1391 CB ASP A 87 1.556 -17.747 -3.080 1.00 0.00 C ATOM 1392 CG ASP A 87 0.270 -18.362 -2.563 1.00 0.00 C ATOM 1393 OD1 ASP A 87 -0.507 -17.643 -1.900 1.00 0.00 O ATOM 1394 OD2 ASP A 87 0.041 -19.562 -2.819 1.00 0.00 O ATOM 0 H ASP A 87 2.183 -15.858 -1.612 1.00 0.00 H new ATOM 0 HA ASP A 87 2.477 -18.657 -1.373 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.381 -16.700 -3.329 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.851 -18.249 -4.001 1.00 0.00 H new ATOM 1399 N PHE A 88 4.695 -17.071 -3.203 1.00 0.00 N ATOM 1400 CA PHE A 88 5.976 -17.203 -3.888 1.00 0.00 C ATOM 1401 C PHE A 88 7.018 -17.814 -2.952 1.00 0.00 C ATOM 1402 O PHE A 88 7.737 -18.739 -3.328 1.00 0.00 O ATOM 1403 CB PHE A 88 6.442 -15.833 -4.405 1.00 0.00 C ATOM 1404 CG PHE A 88 7.918 -15.741 -4.692 1.00 0.00 C ATOM 1405 CD1 PHE A 88 8.438 -16.208 -5.889 1.00 0.00 C ATOM 1406 CD2 PHE A 88 8.782 -15.180 -3.765 1.00 0.00 C ATOM 1407 CE1 PHE A 88 9.792 -16.118 -6.155 1.00 0.00 C ATOM 1408 CE2 PHE A 88 10.136 -15.086 -4.026 1.00 0.00 C ATOM 1409 CZ PHE A 88 10.643 -15.555 -5.222 1.00 0.00 C ATOM 0 H PHE A 88 4.379 -16.108 -3.085 1.00 0.00 H new ATOM 0 HA PHE A 88 5.854 -17.870 -4.742 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.892 -15.597 -5.316 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.180 -15.073 -3.669 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.778 -16.647 -6.622 1.00 0.00 H new ATOM 0 HD2 PHE A 88 8.393 -14.812 -2.827 1.00 0.00 H new ATOM 0 HE1 PHE A 88 10.185 -16.487 -7.091 1.00 0.00 H new ATOM 0 HE2 PHE A 88 10.798 -14.646 -3.295 1.00 0.00 H new ATOM 0 HZ PHE A 88 11.701 -15.482 -5.428 1.00 0.00 H new ATOM 1419 N LEU A 89 7.091 -17.294 -1.731 1.00 0.00 N ATOM 1420 CA LEU A 89 8.040 -17.796 -0.744 1.00 0.00 C ATOM 1421 C LEU A 89 7.645 -19.197 -0.288 1.00 0.00 C ATOM 1422 O LEU A 89 8.502 -20.037 -0.016 1.00 0.00 O ATOM 1423 CB LEU A 89 8.112 -16.849 0.457 1.00 0.00 C ATOM 1424 CG LEU A 89 9.517 -16.354 0.804 1.00 0.00 C ATOM 1425 CD1 LEU A 89 9.851 -15.100 0.011 1.00 0.00 C ATOM 1426 CD2 LEU A 89 9.633 -16.089 2.298 1.00 0.00 C ATOM 0 H LEU A 89 6.505 -16.526 -1.402 1.00 0.00 H new ATOM 0 HA LEU A 89 9.025 -17.847 -1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.477 -15.985 0.259 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.696 -17.357 1.327 1.00 0.00 H new ATOM 0 HG LEU A 89 10.233 -17.130 0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.854 -14.762 0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.807 -15.321 -1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.131 -14.317 0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.639 -15.737 2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.908 -15.330 2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.436 -17.010 2.847 1.00 0.00 H new ATOM 1438 N LYS A 90 6.340 -19.441 -0.216 1.00 0.00 N ATOM 1439 CA LYS A 90 5.824 -20.742 0.197 1.00 0.00 C ATOM 1440 C LYS A 90 6.099 -21.795 -0.872 1.00 0.00 C ATOM 1441 O LYS A 90 6.224 -22.982 -0.573 1.00 0.00 O ATOM 1442 CB LYS A 90 4.321 -20.654 0.471 1.00 0.00 C ATOM 1443 CG LYS A 90 3.986 -20.250 1.897 1.00 0.00 C ATOM 1444 CD LYS A 90 2.693 -20.896 2.372 1.00 0.00 C ATOM 1445 CE LYS A 90 1.758 -19.878 3.006 1.00 0.00 C ATOM 1446 NZ LYS A 90 0.777 -19.339 2.025 1.00 0.00 N ATOM 0 H LYS A 90 5.620 -18.754 -0.439 1.00 0.00 H new ATOM 0 HA LYS A 90 6.335 -21.037 1.114 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.876 -19.934 -0.216 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.864 -21.621 0.259 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.802 -20.539 2.559 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.895 -19.165 1.957 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.194 -21.374 1.529 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.921 -21.680 3.094 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.224 -20.342 3.835 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.343 -19.058 3.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.158 -18.649 2.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.285 -18.873 1.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.201 -20.118 1.646 1.00 0.00 H new ATOM 1460 N SER A 91 6.205 -21.346 -2.119 1.00 0.00 N ATOM 1461 CA SER A 91 6.479 -22.248 -3.231 1.00 0.00 C ATOM 1462 C SER A 91 7.854 -22.892 -3.064 1.00 0.00 C ATOM 1463 O SER A 91 7.958 -24.093 -2.823 1.00 0.00 O ATOM 1464 CB SER A 91 6.394 -21.503 -4.567 1.00 0.00 C ATOM 1465 OG SER A 91 7.539 -20.697 -4.785 1.00 0.00 O ATOM 0 H SER A 91 6.106 -20.366 -2.384 1.00 0.00 H new ATOM 0 HA SER A 91 5.724 -23.034 -3.231 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.293 -22.222 -5.380 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.500 -20.879 -4.581 1.00 0.00 H new ATOM 0 HG SER A 91 7.794 -20.258 -3.947 1.00 0.00 H new