USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=14 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 Set 1.1: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 55 GLN : amide:sc= -2.98 X(o=-3,f=-3.4!) USER MOD Set 2.1: A 25 GLN : amide:sc= -2.2 K(o=-5.9,f=-7!) USER MOD Set 2.2: A 37 MET CE :methyl -163:sc= -3.72! (180deg=-4.63!) USER MOD Single : A 7 ASN : amide:sc= -0.05 X(o=-0.05,f=-0.51) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 75:sc= 0.466 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 24 GLN :FLIP amide:sc= -0.235 F(o=-2.9!,f=-0.24) USER MOD Single : A 28 ASN : amide:sc= -0.27 X(o=-0.27,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0.00793 USER MOD Single : A 39 THR OG1 : rot 115:sc= 1.14 USER MOD Single : A 45 MET CE :methyl 144:sc= -1.3 (180deg=-3.93!) USER MOD Single : A 46 ASN : amide:sc= -1.41 K(o=-1.4,f=-3.2!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -5.71! C(o=-5.7!,f=-14!) USER MOD Single : A 52 TYR OH : rot 130:sc= -2.1 USER MOD Single : A 54 GLN : amide:sc= 0.465 X(o=0.47,f=-0.0014) USER MOD Single : A 61 GLN : amide:sc= -0.172 X(o=-0.17,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.19) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= -0.0376 X(o=-0.038,f=-0.1) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0131 X(o=-0.013,f=-0.13) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot -104:sc= -4.75! USER MOD Single : A 90 LYS NZ :NH3+ -109:sc=-0.00208 (180deg=-0.0978) USER MOD Single : A 91 SER OG : rot -25:sc= 0.552 USER MOD ----------------------------------------------------------------- ATOM 63 N ALA A 6 -7.436 19.436 -5.647 1.00 0.00 N ATOM 64 CA ALA A 6 -6.213 19.348 -4.860 1.00 0.00 C ATOM 65 C ALA A 6 -6.171 18.040 -4.076 1.00 0.00 C ATOM 66 O ALA A 6 -5.144 17.363 -4.025 1.00 0.00 O ATOM 67 CB ALA A 6 -6.102 20.537 -3.917 1.00 0.00 C ATOM 0 HA ALA A 6 -5.363 19.366 -5.542 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.183 20.456 -3.336 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.085 21.460 -4.496 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.958 20.547 -3.242 1.00 0.00 H new ATOM 73 N ASN A 7 -7.304 17.688 -3.478 1.00 0.00 N ATOM 74 CA ASN A 7 -7.411 16.458 -2.705 1.00 0.00 C ATOM 75 C ASN A 7 -7.242 15.242 -3.610 1.00 0.00 C ATOM 76 O ASN A 7 -6.485 14.322 -3.302 1.00 0.00 O ATOM 77 CB ASN A 7 -8.765 16.396 -1.994 1.00 0.00 C ATOM 78 CG ASN A 7 -8.941 17.513 -0.985 1.00 0.00 C ATOM 79 OD1 ASN A 7 -9.845 18.339 -1.108 1.00 0.00 O ATOM 80 ND2 ASN A 7 -8.074 17.545 0.021 1.00 0.00 N ATOM 0 H ASN A 7 -8.162 18.239 -3.514 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.617 16.451 -1.958 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -9.563 16.450 -2.734 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -8.863 15.435 -1.489 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -8.143 18.275 0.730 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.340 16.840 0.084 1.00 0.00 H new ATOM 87 N LYS A 8 -7.952 15.253 -4.734 1.00 0.00 N ATOM 88 CA LYS A 8 -7.881 14.159 -5.694 1.00 0.00 C ATOM 89 C LYS A 8 -6.475 14.039 -6.269 1.00 0.00 C ATOM 90 O LYS A 8 -6.033 12.950 -6.634 1.00 0.00 O ATOM 91 CB LYS A 8 -8.890 14.377 -6.823 1.00 0.00 C ATOM 92 CG LYS A 8 -10.337 14.212 -6.389 1.00 0.00 C ATOM 93 CD LYS A 8 -11.258 15.153 -7.149 1.00 0.00 C ATOM 94 CE LYS A 8 -11.445 14.707 -8.591 1.00 0.00 C ATOM 95 NZ LYS A 8 -12.735 13.990 -8.791 1.00 0.00 N ATOM 0 H LYS A 8 -8.583 16.008 -5.002 1.00 0.00 H new ATOM 0 HA LYS A 8 -8.125 13.232 -5.175 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -8.754 15.378 -7.231 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.679 13.673 -7.628 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -10.652 13.182 -6.554 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -10.421 14.404 -5.319 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.227 15.195 -6.652 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -10.845 16.162 -7.130 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.408 15.577 -9.247 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.620 14.056 -8.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.822 13.704 -9.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.760 13.146 -8.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -13.524 14.619 -8.541 1.00 0.00 H new ATOM 109 N ASP A 9 -5.774 15.168 -6.346 1.00 0.00 N ATOM 110 CA ASP A 9 -4.417 15.188 -6.876 1.00 0.00 C ATOM 111 C ASP A 9 -3.452 14.502 -5.917 1.00 0.00 C ATOM 112 O ASP A 9 -2.628 13.686 -6.331 1.00 0.00 O ATOM 113 CB ASP A 9 -3.967 16.627 -7.135 1.00 0.00 C ATOM 114 CG ASP A 9 -4.221 17.063 -8.564 1.00 0.00 C ATOM 115 OD1 ASP A 9 -3.682 16.418 -9.488 1.00 0.00 O ATOM 116 OD2 ASP A 9 -4.959 18.053 -8.760 1.00 0.00 O ATOM 0 H ASP A 9 -6.124 16.078 -6.048 1.00 0.00 H new ATOM 0 HA ASP A 9 -4.413 14.642 -7.819 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -4.492 17.297 -6.455 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -2.904 16.718 -6.914 1.00 0.00 H new ATOM 121 N LEU A 10 -3.566 14.823 -4.632 1.00 0.00 N ATOM 122 CA LEU A 10 -2.706 14.215 -3.625 1.00 0.00 C ATOM 123 C LEU A 10 -2.920 12.708 -3.605 1.00 0.00 C ATOM 124 O LEU A 10 -1.964 11.927 -3.594 1.00 0.00 O ATOM 125 CB LEU A 10 -2.990 14.806 -2.240 1.00 0.00 C ATOM 126 CG LEU A 10 -1.757 15.035 -1.357 1.00 0.00 C ATOM 127 CD1 LEU A 10 -2.147 15.017 0.110 1.00 0.00 C ATOM 128 CD2 LEU A 10 -0.685 13.988 -1.631 1.00 0.00 C ATOM 0 H LEU A 10 -4.240 15.495 -4.266 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.668 14.427 -3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.506 15.758 -2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.675 14.141 -1.713 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.345 16.014 -1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.261 15.181 0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.873 15.806 0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.587 14.051 0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.178 14.174 -0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.084 12.995 -1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.381 14.044 -2.676 1.00 0.00 H new ATOM 140 N ILE A 11 -4.187 12.305 -3.629 1.00 0.00 N ATOM 141 CA ILE A 11 -4.531 10.892 -3.641 1.00 0.00 C ATOM 142 C ILE A 11 -3.896 10.223 -4.851 1.00 0.00 C ATOM 143 O ILE A 11 -3.195 9.223 -4.721 1.00 0.00 O ATOM 144 CB ILE A 11 -6.058 10.679 -3.678 1.00 0.00 C ATOM 145 CG1 ILE A 11 -6.728 11.424 -2.522 1.00 0.00 C ATOM 146 CG2 ILE A 11 -6.390 9.194 -3.619 1.00 0.00 C ATOM 147 CD1 ILE A 11 -8.154 11.838 -2.815 1.00 0.00 C ATOM 0 H ILE A 11 -4.988 12.936 -3.640 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.150 10.446 -2.722 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.441 11.080 -4.616 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.717 10.789 -1.636 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.142 12.312 -2.284 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.472 9.062 -3.646 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.941 8.687 -4.473 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.996 8.769 -2.696 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.566 12.361 -1.952 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.170 12.499 -3.681 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.754 10.952 -3.023 1.00 0.00 H new ATOM 159 N SER A 12 -4.143 10.792 -6.027 1.00 0.00 N ATOM 160 CA SER A 12 -3.591 10.266 -7.267 1.00 0.00 C ATOM 161 C SER A 12 -2.074 10.131 -7.178 1.00 0.00 C ATOM 162 O SER A 12 -1.489 9.236 -7.781 1.00 0.00 O ATOM 163 CB SER A 12 -3.966 11.171 -8.442 1.00 0.00 C ATOM 164 OG SER A 12 -4.082 10.427 -9.642 1.00 0.00 O ATOM 0 H SER A 12 -4.725 11.621 -6.145 1.00 0.00 H new ATOM 0 HA SER A 12 -4.015 9.275 -7.430 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.909 11.675 -8.230 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.210 11.947 -8.563 1.00 0.00 H new ATOM 0 HG SER A 12 -4.324 11.028 -10.377 1.00 0.00 H new ATOM 170 N ALA A 13 -1.440 11.033 -6.433 1.00 0.00 N ATOM 171 CA ALA A 13 0.013 11.004 -6.285 1.00 0.00 C ATOM 172 C ALA A 13 0.458 9.794 -5.476 1.00 0.00 C ATOM 173 O ALA A 13 1.409 9.106 -5.849 1.00 0.00 O ATOM 174 CB ALA A 13 0.514 12.295 -5.654 1.00 0.00 C ATOM 0 H ALA A 13 -1.904 11.787 -5.926 1.00 0.00 H new ATOM 0 HA ALA A 13 0.452 10.918 -7.279 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.598 12.253 -5.552 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.241 13.139 -6.287 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.062 12.418 -4.670 1.00 0.00 H new ATOM 180 N GLY A 14 -0.265 9.502 -4.403 1.00 0.00 N ATOM 181 CA GLY A 14 0.058 8.326 -3.615 1.00 0.00 C ATOM 182 C GLY A 14 -0.289 7.087 -4.411 1.00 0.00 C ATOM 183 O GLY A 14 0.453 6.110 -4.445 1.00 0.00 O ATOM 0 H GLY A 14 -1.058 10.048 -4.067 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.118 8.324 -3.359 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.497 8.338 -2.677 1.00 0.00 H new ATOM 187 N LEU A 15 -1.437 7.179 -5.065 1.00 0.00 N ATOM 188 CA LEU A 15 -1.941 6.107 -5.909 1.00 0.00 C ATOM 189 C LEU A 15 -0.893 5.735 -6.951 1.00 0.00 C ATOM 190 O LEU A 15 -0.432 4.595 -7.004 1.00 0.00 O ATOM 191 CB LEU A 15 -3.251 6.519 -6.587 1.00 0.00 C ATOM 192 CG LEU A 15 -4.511 5.885 -5.999 1.00 0.00 C ATOM 193 CD1 LEU A 15 -4.452 4.370 -6.117 1.00 0.00 C ATOM 194 CD2 LEU A 15 -4.688 6.302 -4.546 1.00 0.00 C ATOM 0 H LEU A 15 -2.044 7.998 -5.026 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.145 5.237 -5.285 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.347 7.603 -6.529 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.192 6.261 -7.644 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.372 6.239 -6.566 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.358 3.936 -5.693 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.373 4.090 -7.167 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.583 3.996 -5.575 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.590 5.842 -4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.824 5.977 -3.966 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.777 7.387 -4.487 1.00 0.00 H new ATOM 206 N LYS A 16 -0.516 6.706 -7.773 1.00 0.00 N ATOM 207 CA LYS A 16 0.486 6.481 -8.807 1.00 0.00 C ATOM 208 C LYS A 16 1.808 6.055 -8.180 1.00 0.00 C ATOM 209 O LYS A 16 2.588 5.320 -8.786 1.00 0.00 O ATOM 210 CB LYS A 16 0.682 7.747 -9.644 1.00 0.00 C ATOM 211 CG LYS A 16 0.356 7.559 -11.118 1.00 0.00 C ATOM 212 CD LYS A 16 1.589 7.166 -11.916 1.00 0.00 C ATOM 213 CE LYS A 16 1.557 5.697 -12.305 1.00 0.00 C ATOM 214 NZ LYS A 16 0.668 5.451 -13.473 1.00 0.00 N ATOM 0 H LYS A 16 -0.888 7.655 -7.744 1.00 0.00 H new ATOM 0 HA LYS A 16 0.135 5.682 -9.460 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.054 8.541 -9.240 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.716 8.079 -9.549 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.409 6.791 -11.227 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.060 8.483 -11.520 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.653 7.780 -12.814 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.484 7.368 -11.328 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.567 5.362 -12.541 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.214 5.104 -11.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.674 4.438 -13.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.301 5.747 -13.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.009 5.996 -14.290 1.00 0.00 H new ATOM 228 N GLU A 17 2.051 6.523 -6.961 1.00 0.00 N ATOM 229 CA GLU A 17 3.276 6.192 -6.246 1.00 0.00 C ATOM 230 C GLU A 17 3.301 4.719 -5.856 1.00 0.00 C ATOM 231 O GLU A 17 4.307 4.034 -6.048 1.00 0.00 O ATOM 232 CB GLU A 17 3.416 7.069 -4.999 1.00 0.00 C ATOM 233 CG GLU A 17 4.351 8.252 -5.190 1.00 0.00 C ATOM 234 CD GLU A 17 4.030 9.405 -4.260 1.00 0.00 C ATOM 235 OE1 GLU A 17 4.545 9.411 -3.122 1.00 0.00 O ATOM 236 OE2 GLU A 17 3.265 10.303 -4.670 1.00 0.00 O ATOM 0 H GLU A 17 1.415 7.133 -6.448 1.00 0.00 H new ATOM 0 HA GLU A 17 4.118 6.383 -6.911 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.431 7.437 -4.712 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.781 6.457 -4.174 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.378 7.929 -5.021 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.290 8.595 -6.223 1.00 0.00 H new ATOM 243 N PHE A 18 2.196 4.238 -5.299 1.00 0.00 N ATOM 244 CA PHE A 18 2.106 2.846 -4.876 1.00 0.00 C ATOM 245 C PHE A 18 2.057 1.913 -6.079 1.00 0.00 C ATOM 246 O PHE A 18 2.631 0.824 -6.054 1.00 0.00 O ATOM 247 CB PHE A 18 0.875 2.631 -3.988 1.00 0.00 C ATOM 248 CG PHE A 18 1.001 1.489 -3.008 1.00 0.00 C ATOM 249 CD1 PHE A 18 2.218 0.851 -2.792 1.00 0.00 C ATOM 250 CD2 PHE A 18 -0.107 1.056 -2.297 1.00 0.00 C ATOM 251 CE1 PHE A 18 2.321 -0.191 -1.891 1.00 0.00 C ATOM 252 CE2 PHE A 18 -0.007 0.013 -1.394 1.00 0.00 C ATOM 253 CZ PHE A 18 1.207 -0.611 -1.191 1.00 0.00 C ATOM 0 H PHE A 18 1.354 4.788 -5.130 1.00 0.00 H new ATOM 0 HA PHE A 18 3.000 2.612 -4.297 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.678 3.549 -3.434 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.009 2.452 -4.626 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.093 1.174 -3.336 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.061 1.539 -2.450 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.273 -0.677 -1.734 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.880 -0.313 -0.847 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.286 -1.426 -0.486 1.00 0.00 H new ATOM 263 N SER A 19 1.377 2.347 -7.135 1.00 0.00 N ATOM 264 CA SER A 19 1.268 1.548 -8.349 1.00 0.00 C ATOM 265 C SER A 19 2.650 1.309 -8.947 1.00 0.00 C ATOM 266 O SER A 19 3.034 0.170 -9.223 1.00 0.00 O ATOM 267 CB SER A 19 0.368 2.246 -9.370 1.00 0.00 C ATOM 268 OG SER A 19 -0.958 2.362 -8.885 1.00 0.00 O ATOM 0 H SER A 19 0.895 3.245 -7.174 1.00 0.00 H new ATOM 0 HA SER A 19 0.823 0.587 -8.092 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.765 3.236 -9.593 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.369 1.685 -10.304 1.00 0.00 H new ATOM 0 HG SER A 19 -0.998 3.068 -8.207 1.00 0.00 H new ATOM 274 N VAL A 20 3.399 2.391 -9.132 1.00 0.00 N ATOM 275 CA VAL A 20 4.743 2.302 -9.681 1.00 0.00 C ATOM 276 C VAL A 20 5.636 1.470 -8.769 1.00 0.00 C ATOM 277 O VAL A 20 6.445 0.668 -9.237 1.00 0.00 O ATOM 278 CB VAL A 20 5.369 3.697 -9.874 1.00 0.00 C ATOM 279 CG1 VAL A 20 6.720 3.589 -10.566 1.00 0.00 C ATOM 280 CG2 VAL A 20 4.431 4.601 -10.661 1.00 0.00 C ATOM 0 H VAL A 20 3.096 3.339 -8.909 1.00 0.00 H new ATOM 0 HA VAL A 20 4.665 1.820 -10.656 1.00 0.00 H new ATOM 0 HB VAL A 20 5.525 4.141 -8.891 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.145 4.585 -10.693 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.392 2.982 -9.959 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.592 3.122 -11.543 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.891 5.581 -10.787 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.239 4.162 -11.640 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.490 4.708 -10.121 1.00 0.00 H new ATOM 290 N LEU A 21 5.477 1.662 -7.463 1.00 0.00 N ATOM 291 CA LEU A 21 6.261 0.921 -6.482 1.00 0.00 C ATOM 292 C LEU A 21 5.953 -0.568 -6.573 1.00 0.00 C ATOM 293 O LEU A 21 6.858 -1.403 -6.578 1.00 0.00 O ATOM 294 CB LEU A 21 5.965 1.434 -5.070 1.00 0.00 C ATOM 295 CG LEU A 21 7.063 1.163 -4.039 1.00 0.00 C ATOM 296 CD1 LEU A 21 8.145 2.229 -4.119 1.00 0.00 C ATOM 297 CD2 LEU A 21 6.471 1.105 -2.638 1.00 0.00 C ATOM 0 H LEU A 21 4.813 2.324 -7.060 1.00 0.00 H new ATOM 0 HA LEU A 21 7.319 1.073 -6.697 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.791 2.509 -5.119 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.039 0.977 -4.721 1.00 0.00 H new ATOM 0 HG LEU A 21 7.517 0.198 -4.262 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.917 2.020 -3.379 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.587 2.225 -5.115 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.707 3.207 -3.920 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.264 0.912 -1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.993 2.056 -2.406 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.732 0.305 -2.588 1.00 0.00 H new ATOM 309 N LEU A 22 4.666 -0.896 -6.655 1.00 0.00 N ATOM 310 CA LEU A 22 4.232 -2.284 -6.757 1.00 0.00 C ATOM 311 C LEU A 22 4.891 -2.962 -7.955 1.00 0.00 C ATOM 312 O LEU A 22 5.370 -4.092 -7.858 1.00 0.00 O ATOM 313 CB LEU A 22 2.704 -2.362 -6.896 1.00 0.00 C ATOM 314 CG LEU A 22 1.889 -2.316 -5.590 1.00 0.00 C ATOM 315 CD1 LEU A 22 1.160 -3.632 -5.371 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.766 -1.991 -4.386 1.00 0.00 C ATOM 0 H LEU A 22 3.905 -0.217 -6.653 1.00 0.00 H new ATOM 0 HA LEU A 22 4.532 -2.801 -5.846 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.377 -1.538 -7.531 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.456 -3.285 -7.420 1.00 0.00 H new ATOM 0 HG LEU A 22 1.156 -1.516 -5.691 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.589 -3.582 -4.444 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.482 -3.816 -6.205 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.885 -4.443 -5.307 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.153 -1.968 -3.485 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.537 -2.754 -4.281 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.236 -1.018 -4.530 1.00 0.00 H new ATOM 328 N ASN A 23 4.910 -2.260 -9.085 1.00 0.00 N ATOM 329 CA ASN A 23 5.510 -2.790 -10.303 1.00 0.00 C ATOM 330 C ASN A 23 7.032 -2.644 -10.279 1.00 0.00 C ATOM 331 O ASN A 23 7.744 -3.379 -10.962 1.00 0.00 O ATOM 332 CB ASN A 23 4.939 -2.074 -11.528 1.00 0.00 C ATOM 333 CG ASN A 23 3.574 -2.605 -11.924 1.00 0.00 C ATOM 334 OD1 ASN A 23 3.425 -3.779 -12.259 1.00 0.00 O ATOM 335 ND2 ASN A 23 2.569 -1.737 -11.886 1.00 0.00 N ATOM 0 H ASN A 23 4.517 -1.324 -9.181 1.00 0.00 H new ATOM 0 HA ASN A 23 5.269 -3.852 -10.361 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.864 -1.007 -11.320 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.627 -2.188 -12.366 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.628 -2.035 -12.141 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.739 -0.772 -11.602 1.00 0.00 H new ATOM 342 N GLN A 24 7.522 -1.691 -9.491 1.00 0.00 N ATOM 343 CA GLN A 24 8.959 -1.452 -9.383 1.00 0.00 C ATOM 344 C GLN A 24 9.654 -2.564 -8.596 1.00 0.00 C ATOM 345 O GLN A 24 10.883 -2.618 -8.541 1.00 0.00 O ATOM 346 CB GLN A 24 9.222 -0.101 -8.713 1.00 0.00 C ATOM 347 CG GLN A 24 9.571 1.007 -9.693 1.00 0.00 C ATOM 348 CD GLN A 24 10.215 2.201 -9.016 1.00 0.00 C ATOM 349 OE1 GLN A 24 9.400 3.182 -8.646 1.00 0.00 O flip ATOM 350 NE2 GLN A 24 11.431 2.241 -8.828 1.00 0.00 N flip ATOM 0 H GLN A 24 6.947 -1.073 -8.919 1.00 0.00 H new ATOM 0 HA GLN A 24 9.370 -1.443 -10.393 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.338 0.192 -8.146 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.037 -0.212 -7.998 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.248 0.616 -10.453 1.00 0.00 H new ATOM 0 HG3 GLN A 24 8.666 1.330 -10.208 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.019 1.464 -9.129 1.00 0.00 H new ATOM 0 HE22 GLN A 24 11.850 3.051 -8.371 1.00 0.00 H new ATOM 359 N GLN A 25 8.869 -3.445 -7.984 1.00 0.00 N ATOM 360 CA GLN A 25 9.423 -4.543 -7.201 1.00 0.00 C ATOM 361 C GLN A 25 9.834 -5.706 -8.096 1.00 0.00 C ATOM 362 O GLN A 25 9.056 -6.169 -8.930 1.00 0.00 O ATOM 363 CB GLN A 25 8.408 -5.019 -6.162 1.00 0.00 C ATOM 364 CG GLN A 25 8.301 -4.103 -4.954 1.00 0.00 C ATOM 365 CD GLN A 25 9.341 -4.412 -3.895 1.00 0.00 C ATOM 366 OE1 GLN A 25 9.392 -5.520 -3.364 1.00 0.00 O ATOM 367 NE2 GLN A 25 10.177 -3.430 -3.583 1.00 0.00 N ATOM 0 H GLN A 25 7.850 -3.420 -8.015 1.00 0.00 H new ATOM 0 HA GLN A 25 10.312 -4.174 -6.690 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.429 -5.101 -6.634 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.685 -6.018 -5.827 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.412 -3.068 -5.276 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.306 -4.196 -4.519 1.00 0.00 H new ATOM 0 HE21 GLN A 25 10.099 -2.526 -4.049 1.00 0.00 H new ATOM 0 HE22 GLN A 25 10.898 -3.579 -2.877 1.00 0.00 H new ATOM 376 N VAL A 26 11.064 -6.176 -7.913 1.00 0.00 N ATOM 377 CA VAL A 26 11.585 -7.288 -8.698 1.00 0.00 C ATOM 378 C VAL A 26 12.392 -8.239 -7.818 1.00 0.00 C ATOM 379 O VAL A 26 13.558 -7.983 -7.515 1.00 0.00 O ATOM 380 CB VAL A 26 12.471 -6.788 -9.858 1.00 0.00 C ATOM 381 CG1 VAL A 26 13.639 -5.971 -9.327 1.00 0.00 C ATOM 382 CG2 VAL A 26 12.964 -7.955 -10.705 1.00 0.00 C ATOM 0 H VAL A 26 11.719 -5.803 -7.226 1.00 0.00 H new ATOM 0 HA VAL A 26 10.730 -7.820 -9.115 1.00 0.00 H new ATOM 0 HB VAL A 26 11.867 -6.142 -10.495 1.00 0.00 H new ATOM 0 HG11 VAL A 26 14.252 -5.628 -10.161 1.00 0.00 H new ATOM 0 HG12 VAL A 26 13.260 -5.110 -8.776 1.00 0.00 H new ATOM 0 HG13 VAL A 26 14.243 -6.589 -8.663 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.587 -7.578 -11.517 1.00 0.00 H new ATOM 0 HG22 VAL A 26 13.549 -8.634 -10.084 1.00 0.00 H new ATOM 0 HG23 VAL A 26 12.110 -8.489 -11.121 1.00 0.00 H new ATOM 392 N PHE A 27 11.763 -9.336 -7.407 1.00 0.00 N ATOM 393 CA PHE A 27 12.424 -10.321 -6.558 1.00 0.00 C ATOM 394 C PHE A 27 13.104 -11.400 -7.393 1.00 0.00 C ATOM 395 O PHE A 27 12.447 -12.115 -8.149 1.00 0.00 O ATOM 396 CB PHE A 27 11.414 -10.978 -5.614 1.00 0.00 C ATOM 397 CG PHE A 27 10.381 -10.033 -5.073 1.00 0.00 C ATOM 398 CD1 PHE A 27 10.705 -9.131 -4.074 1.00 0.00 C ATOM 399 CD2 PHE A 27 9.085 -10.051 -5.563 1.00 0.00 C ATOM 400 CE1 PHE A 27 9.756 -8.262 -3.573 1.00 0.00 C ATOM 401 CE2 PHE A 27 8.130 -9.186 -5.064 1.00 0.00 C ATOM 402 CZ PHE A 27 8.466 -8.290 -4.068 1.00 0.00 C ATOM 0 H PHE A 27 10.799 -9.565 -7.648 1.00 0.00 H new ATOM 0 HA PHE A 27 13.181 -9.797 -5.975 1.00 0.00 H new ATOM 0 HB2 PHE A 27 10.910 -11.787 -6.143 1.00 0.00 H new ATOM 0 HB3 PHE A 27 11.952 -11.429 -4.780 1.00 0.00 H new ATOM 0 HD1 PHE A 27 11.711 -9.107 -3.682 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.818 -10.749 -6.343 1.00 0.00 H new ATOM 0 HE1 PHE A 27 10.022 -7.561 -2.795 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.122 -9.210 -5.452 1.00 0.00 H new ATOM 0 HZ PHE A 27 7.722 -7.612 -3.677 1.00 0.00 H new ATOM 412 N ASN A 28 14.418 -11.527 -7.243 1.00 0.00 N ATOM 413 CA ASN A 28 15.166 -12.540 -7.975 1.00 0.00 C ATOM 414 C ASN A 28 14.756 -13.929 -7.498 1.00 0.00 C ATOM 415 O ASN A 28 13.901 -14.576 -8.103 1.00 0.00 O ATOM 416 CB ASN A 28 16.672 -12.333 -7.792 1.00 0.00 C ATOM 417 CG ASN A 28 17.279 -11.494 -8.899 1.00 0.00 C ATOM 418 OD1 ASN A 28 18.368 -11.789 -9.391 1.00 0.00 O ATOM 419 ND2 ASN A 28 16.575 -10.440 -9.297 1.00 0.00 N ATOM 0 H ASN A 28 14.983 -10.945 -6.625 1.00 0.00 H new ATOM 0 HA ASN A 28 14.938 -12.449 -9.037 1.00 0.00 H new ATOM 0 HB2 ASN A 28 16.856 -11.851 -6.832 1.00 0.00 H new ATOM 0 HB3 ASN A 28 17.168 -13.303 -7.761 1.00 0.00 H new ATOM 0 HD21 ASN A 28 16.933 -9.838 -10.039 1.00 0.00 H new ATOM 0 HD22 ASN A 28 15.676 -10.233 -8.861 1.00 0.00 H new ATOM 426 N ASP A 29 15.360 -14.379 -6.402 1.00 0.00 N ATOM 427 CA ASP A 29 15.057 -15.685 -5.821 1.00 0.00 C ATOM 428 C ASP A 29 14.356 -15.497 -4.473 1.00 0.00 C ATOM 429 O ASP A 29 14.241 -14.370 -3.990 1.00 0.00 O ATOM 430 CB ASP A 29 16.340 -16.514 -5.645 1.00 0.00 C ATOM 431 CG ASP A 29 17.609 -15.720 -5.907 1.00 0.00 C ATOM 432 OD1 ASP A 29 17.822 -15.309 -7.067 1.00 0.00 O ATOM 433 OD2 ASP A 29 18.387 -15.513 -4.953 1.00 0.00 O ATOM 0 H ASP A 29 16.070 -13.852 -5.893 1.00 0.00 H new ATOM 0 HA ASP A 29 14.396 -16.226 -6.498 1.00 0.00 H new ATOM 0 HB2 ASP A 29 16.371 -16.911 -4.631 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.308 -17.368 -6.321 1.00 0.00 H new ATOM 438 N PRO A 30 13.871 -16.586 -3.842 1.00 0.00 N ATOM 439 CA PRO A 30 13.178 -16.516 -2.541 1.00 0.00 C ATOM 440 C PRO A 30 13.952 -15.729 -1.473 1.00 0.00 C ATOM 441 O PRO A 30 13.461 -15.548 -0.359 1.00 0.00 O ATOM 442 CB PRO A 30 13.041 -17.989 -2.119 1.00 0.00 C ATOM 443 CG PRO A 30 13.919 -18.757 -3.052 1.00 0.00 C ATOM 444 CD PRO A 30 13.949 -17.970 -4.328 1.00 0.00 C ATOM 0 HA PRO A 30 12.229 -15.988 -2.635 1.00 0.00 H new ATOM 0 HB2 PRO A 30 13.351 -18.131 -1.084 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.006 -18.323 -2.191 1.00 0.00 H new ATOM 0 HG2 PRO A 30 14.922 -18.872 -2.640 1.00 0.00 H new ATOM 0 HG3 PRO A 30 13.527 -19.760 -3.221 1.00 0.00 H new ATOM 0 HD2 PRO A 30 14.861 -18.151 -4.896 1.00 0.00 H new ATOM 0 HD3 PRO A 30 13.112 -18.220 -4.980 1.00 0.00 H new ATOM 452 N LEU A 31 15.150 -15.258 -1.831 1.00 0.00 N ATOM 453 CA LEU A 31 16.017 -14.473 -0.944 1.00 0.00 C ATOM 454 C LEU A 31 15.310 -13.986 0.333 1.00 0.00 C ATOM 455 O LEU A 31 15.147 -14.746 1.287 1.00 0.00 O ATOM 456 CB LEU A 31 16.569 -13.277 -1.726 1.00 0.00 C ATOM 457 CG LEU A 31 17.500 -13.628 -2.886 1.00 0.00 C ATOM 458 CD1 LEU A 31 17.212 -12.736 -4.084 1.00 0.00 C ATOM 459 CD2 LEU A 31 18.956 -13.500 -2.462 1.00 0.00 C ATOM 0 H LEU A 31 15.551 -15.412 -2.756 1.00 0.00 H new ATOM 0 HA LEU A 31 16.822 -15.129 -0.612 1.00 0.00 H new ATOM 0 HB2 LEU A 31 15.730 -12.701 -2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 31 17.106 -12.628 -1.034 1.00 0.00 H new ATOM 0 HG LEU A 31 17.318 -14.663 -3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 31 17.883 -12.998 -4.902 1.00 0.00 H new ATOM 0 HD12 LEU A 31 16.179 -12.877 -4.402 1.00 0.00 H new ATOM 0 HD13 LEU A 31 17.367 -11.693 -3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 31 19.603 -13.754 -3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 31 19.155 -12.475 -2.148 1.00 0.00 H new ATOM 0 HD23 LEU A 31 19.154 -14.179 -1.633 1.00 0.00 H new ATOM 471 N VAL A 32 14.910 -12.712 0.348 1.00 0.00 N ATOM 472 CA VAL A 32 14.248 -12.118 1.504 1.00 0.00 C ATOM 473 C VAL A 32 12.930 -12.816 1.826 1.00 0.00 C ATOM 474 O VAL A 32 12.259 -13.346 0.941 1.00 0.00 O ATOM 475 CB VAL A 32 13.990 -10.615 1.270 1.00 0.00 C ATOM 476 CG1 VAL A 32 13.324 -10.386 -0.079 1.00 0.00 C ATOM 477 CG2 VAL A 32 13.159 -10.022 2.392 1.00 0.00 C ATOM 0 H VAL A 32 15.036 -12.071 -0.435 1.00 0.00 H new ATOM 0 HA VAL A 32 14.918 -12.245 2.355 1.00 0.00 H new ATOM 0 HB VAL A 32 14.954 -10.105 1.264 1.00 0.00 H new ATOM 0 HG11 VAL A 32 13.151 -9.319 -0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.971 -10.759 -0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.371 -10.915 -0.109 1.00 0.00 H new ATOM 0 HG21 VAL A 32 12.993 -8.962 2.201 1.00 0.00 H new ATOM 0 HG22 VAL A 32 12.199 -10.536 2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 32 13.687 -10.141 3.338 1.00 0.00 H new ATOM 487 N SER A 33 12.573 -12.813 3.109 1.00 0.00 N ATOM 488 CA SER A 33 11.341 -13.443 3.568 1.00 0.00 C ATOM 489 C SER A 33 10.167 -12.476 3.518 1.00 0.00 C ATOM 490 O SER A 33 10.329 -11.299 3.193 1.00 0.00 O ATOM 491 CB SER A 33 11.517 -13.975 4.991 1.00 0.00 C ATOM 492 OG SER A 33 12.040 -12.975 5.848 1.00 0.00 O ATOM 0 H SER A 33 13.123 -12.379 3.850 1.00 0.00 H new ATOM 0 HA SER A 33 11.123 -14.273 2.896 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.557 -14.321 5.374 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.186 -14.836 4.981 1.00 0.00 H new ATOM 0 HG SER A 33 12.142 -13.339 6.752 1.00 0.00 H new ATOM 498 N GLU A 34 8.987 -12.983 3.858 1.00 0.00 N ATOM 499 CA GLU A 34 7.778 -12.170 3.869 1.00 0.00 C ATOM 500 C GLU A 34 7.810 -11.182 5.027 1.00 0.00 C ATOM 501 O GLU A 34 7.113 -10.170 5.010 1.00 0.00 O ATOM 502 CB GLU A 34 6.537 -13.059 3.972 1.00 0.00 C ATOM 503 CG GLU A 34 6.635 -14.115 5.061 1.00 0.00 C ATOM 504 CD GLU A 34 5.468 -14.068 6.028 1.00 0.00 C ATOM 505 OE1 GLU A 34 5.194 -12.980 6.577 1.00 0.00 O ATOM 506 OE2 GLU A 34 4.827 -15.120 6.237 1.00 0.00 O ATOM 0 H GLU A 34 8.843 -13.955 4.130 1.00 0.00 H new ATOM 0 HA GLU A 34 7.733 -11.611 2.934 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.666 -12.432 4.162 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.372 -13.551 3.014 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.681 -15.102 4.601 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.565 -13.977 5.613 1.00 0.00 H new ATOM 513 N GLU A 35 8.629 -11.481 6.030 1.00 0.00 N ATOM 514 CA GLU A 35 8.756 -10.615 7.192 1.00 0.00 C ATOM 515 C GLU A 35 9.346 -9.267 6.798 1.00 0.00 C ATOM 516 O GLU A 35 8.990 -8.237 7.371 1.00 0.00 O ATOM 517 CB GLU A 35 9.629 -11.278 8.259 1.00 0.00 C ATOM 518 CG GLU A 35 9.558 -10.594 9.615 1.00 0.00 C ATOM 519 CD GLU A 35 8.817 -11.421 10.647 1.00 0.00 C ATOM 520 OE1 GLU A 35 9.233 -12.572 10.897 1.00 0.00 O ATOM 521 OE2 GLU A 35 7.821 -10.918 11.207 1.00 0.00 O ATOM 0 H GLU A 35 9.214 -12.316 6.060 1.00 0.00 H new ATOM 0 HA GLU A 35 7.760 -10.451 7.604 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.325 -12.319 8.370 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.664 -11.283 7.918 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.569 -10.396 9.971 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.064 -9.629 9.505 1.00 0.00 H new ATOM 528 N ASP A 36 10.243 -9.269 5.812 1.00 0.00 N ATOM 529 CA ASP A 36 10.854 -8.022 5.362 1.00 0.00 C ATOM 530 C ASP A 36 9.873 -7.227 4.511 1.00 0.00 C ATOM 531 O ASP A 36 9.659 -6.037 4.739 1.00 0.00 O ATOM 532 CB ASP A 36 12.130 -8.301 4.574 1.00 0.00 C ATOM 533 CG ASP A 36 13.304 -7.478 5.065 1.00 0.00 C ATOM 534 OD1 ASP A 36 13.939 -7.883 6.061 1.00 0.00 O ATOM 535 OD2 ASP A 36 13.590 -6.428 4.452 1.00 0.00 O ATOM 0 H ASP A 36 10.557 -10.104 5.318 1.00 0.00 H new ATOM 0 HA ASP A 36 11.113 -7.432 6.241 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.376 -9.360 4.649 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.956 -8.088 3.519 1.00 0.00 H new ATOM 540 N MET A 37 9.271 -7.899 3.537 1.00 0.00 N ATOM 541 CA MET A 37 8.302 -7.247 2.664 1.00 0.00 C ATOM 542 C MET A 37 7.138 -6.734 3.502 1.00 0.00 C ATOM 543 O MET A 37 6.747 -5.571 3.400 1.00 0.00 O ATOM 544 CB MET A 37 7.795 -8.219 1.596 1.00 0.00 C ATOM 545 CG MET A 37 8.866 -8.668 0.612 1.00 0.00 C ATOM 546 SD MET A 37 9.766 -7.288 -0.126 1.00 0.00 S ATOM 547 CE MET A 37 8.441 -6.115 -0.389 1.00 0.00 C ATOM 0 H MET A 37 9.434 -8.885 3.333 1.00 0.00 H new ATOM 0 HA MET A 37 8.785 -6.411 2.158 1.00 0.00 H new ATOM 0 HB2 MET A 37 7.376 -9.097 2.087 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.984 -7.745 1.044 1.00 0.00 H new ATOM 0 HG2 MET A 37 9.571 -9.323 1.124 1.00 0.00 H new ATOM 0 HG3 MET A 37 8.401 -9.257 -0.179 1.00 0.00 H new ATOM 0 HE1 MET A 37 8.765 -5.352 -1.097 1.00 0.00 H new ATOM 0 HE2 MET A 37 7.570 -6.634 -0.789 1.00 0.00 H new ATOM 0 HE3 MET A 37 8.180 -5.643 0.558 1.00 0.00 H new ATOM 557 N VAL A 38 6.593 -7.618 4.329 1.00 0.00 N ATOM 558 CA VAL A 38 5.474 -7.276 5.194 1.00 0.00 C ATOM 559 C VAL A 38 5.814 -6.064 6.059 1.00 0.00 C ATOM 560 O VAL A 38 5.028 -5.119 6.143 1.00 0.00 O ATOM 561 CB VAL A 38 5.096 -8.477 6.095 1.00 0.00 C ATOM 562 CG1 VAL A 38 4.305 -8.036 7.321 1.00 0.00 C ATOM 563 CG2 VAL A 38 4.315 -9.510 5.296 1.00 0.00 C ATOM 0 H VAL A 38 6.912 -8.583 4.418 1.00 0.00 H new ATOM 0 HA VAL A 38 4.621 -7.028 4.562 1.00 0.00 H new ATOM 0 HB VAL A 38 6.021 -8.930 6.450 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.059 -8.907 7.928 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.904 -7.341 7.910 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.386 -7.544 7.003 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.056 -10.349 5.942 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.404 -9.056 4.907 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.926 -9.866 4.466 1.00 0.00 H new ATOM 573 N THR A 39 6.981 -6.082 6.697 1.00 0.00 N ATOM 574 CA THR A 39 7.394 -4.966 7.539 1.00 0.00 C ATOM 575 C THR A 39 7.547 -3.696 6.710 1.00 0.00 C ATOM 576 O THR A 39 7.226 -2.600 7.172 1.00 0.00 O ATOM 577 CB THR A 39 8.712 -5.292 8.246 1.00 0.00 C ATOM 578 OG1 THR A 39 8.577 -6.456 9.044 1.00 0.00 O ATOM 579 CG2 THR A 39 9.203 -4.176 9.143 1.00 0.00 C ATOM 0 H THR A 39 7.651 -6.850 6.648 1.00 0.00 H new ATOM 0 HA THR A 39 6.622 -4.800 8.290 1.00 0.00 H new ATOM 0 HB THR A 39 9.439 -5.441 7.448 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.147 -7.167 8.684 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.141 -4.473 9.613 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.363 -3.276 8.549 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.459 -3.975 9.914 1.00 0.00 H new ATOM 587 N VAL A 40 8.023 -3.850 5.478 1.00 0.00 N ATOM 588 CA VAL A 40 8.198 -2.713 4.584 1.00 0.00 C ATOM 589 C VAL A 40 6.841 -2.176 4.149 1.00 0.00 C ATOM 590 O VAL A 40 6.662 -0.971 3.972 1.00 0.00 O ATOM 591 CB VAL A 40 9.024 -3.090 3.336 1.00 0.00 C ATOM 592 CG1 VAL A 40 9.170 -1.897 2.403 1.00 0.00 C ATOM 593 CG2 VAL A 40 10.390 -3.624 3.741 1.00 0.00 C ATOM 0 H VAL A 40 8.293 -4.749 5.078 1.00 0.00 H new ATOM 0 HA VAL A 40 8.742 -1.945 5.133 1.00 0.00 H new ATOM 0 HB VAL A 40 8.492 -3.876 2.800 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.756 -2.187 1.531 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.183 -1.563 2.083 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.676 -1.086 2.926 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.958 -3.885 2.848 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.927 -2.860 4.303 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.264 -4.510 4.363 1.00 0.00 H new ATOM 603 N VAL A 41 5.883 -3.085 3.991 1.00 0.00 N ATOM 604 CA VAL A 41 4.535 -2.713 3.591 1.00 0.00 C ATOM 605 C VAL A 41 3.845 -1.938 4.709 1.00 0.00 C ATOM 606 O VAL A 41 3.274 -0.872 4.482 1.00 0.00 O ATOM 607 CB VAL A 41 3.702 -3.965 3.244 1.00 0.00 C ATOM 608 CG1 VAL A 41 2.310 -3.578 2.775 1.00 0.00 C ATOM 609 CG2 VAL A 41 4.414 -4.805 2.191 1.00 0.00 C ATOM 0 H VAL A 41 6.019 -4.086 4.135 1.00 0.00 H new ATOM 0 HA VAL A 41 4.609 -2.081 2.706 1.00 0.00 H new ATOM 0 HB VAL A 41 3.596 -4.565 4.148 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.743 -4.478 2.537 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.800 -3.026 3.565 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.387 -2.951 1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.812 -5.684 1.959 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.555 -4.212 1.287 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.385 -5.121 2.573 1.00 0.00 H new ATOM 619 N GLU A 42 3.908 -2.487 5.919 1.00 0.00 N ATOM 620 CA GLU A 42 3.297 -1.854 7.083 1.00 0.00 C ATOM 621 C GLU A 42 3.857 -0.448 7.290 1.00 0.00 C ATOM 622 O GLU A 42 3.104 0.518 7.424 1.00 0.00 O ATOM 623 CB GLU A 42 3.533 -2.704 8.334 1.00 0.00 C ATOM 624 CG GLU A 42 2.300 -3.459 8.799 1.00 0.00 C ATOM 625 CD GLU A 42 2.611 -4.477 9.879 1.00 0.00 C ATOM 626 OE1 GLU A 42 2.589 -4.103 11.071 1.00 0.00 O ATOM 627 OE2 GLU A 42 2.876 -5.647 9.534 1.00 0.00 O ATOM 0 H GLU A 42 4.377 -3.370 6.119 1.00 0.00 H new ATOM 0 HA GLU A 42 2.224 -1.776 6.906 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.331 -3.418 8.132 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.879 -2.059 9.141 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.564 -2.748 9.176 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.846 -3.966 7.947 1.00 0.00 H new ATOM 634 N ASP A 43 5.181 -0.344 7.314 1.00 0.00 N ATOM 635 CA ASP A 43 5.845 0.941 7.502 1.00 0.00 C ATOM 636 C ASP A 43 5.450 1.923 6.403 1.00 0.00 C ATOM 637 O ASP A 43 5.237 3.108 6.663 1.00 0.00 O ATOM 638 CB ASP A 43 7.365 0.756 7.517 1.00 0.00 C ATOM 639 CG ASP A 43 7.935 0.767 8.921 1.00 0.00 C ATOM 640 OD1 ASP A 43 8.082 1.867 9.493 1.00 0.00 O ATOM 641 OD2 ASP A 43 8.235 -0.324 9.449 1.00 0.00 O ATOM 0 H ASP A 43 5.816 -1.135 7.206 1.00 0.00 H new ATOM 0 HA ASP A 43 5.527 1.350 8.461 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.618 -0.187 7.033 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.831 1.550 6.933 1.00 0.00 H new ATOM 646 N TRP A 44 5.383 1.429 5.172 1.00 0.00 N ATOM 647 CA TRP A 44 5.044 2.284 4.038 1.00 0.00 C ATOM 648 C TRP A 44 3.664 2.905 4.225 1.00 0.00 C ATOM 649 O TRP A 44 3.495 4.116 4.071 1.00 0.00 O ATOM 650 CB TRP A 44 5.075 1.479 2.737 1.00 0.00 C ATOM 651 CG TRP A 44 6.431 1.410 2.101 1.00 0.00 C ATOM 652 CD1 TRP A 44 7.486 2.249 2.317 1.00 0.00 C ATOM 653 CD2 TRP A 44 6.876 0.448 1.138 1.00 0.00 C ATOM 654 NE1 TRP A 44 8.559 1.866 1.547 1.00 0.00 N ATOM 655 CE2 TRP A 44 8.209 0.762 0.815 1.00 0.00 C ATOM 656 CE3 TRP A 44 6.274 -0.651 0.517 1.00 0.00 C ATOM 657 CZ2 TRP A 44 8.949 0.018 -0.100 1.00 0.00 C ATOM 658 CZ3 TRP A 44 7.009 -1.389 -0.391 1.00 0.00 C ATOM 659 CH2 TRP A 44 8.336 -1.052 -0.692 1.00 0.00 C ATOM 0 H TRP A 44 5.556 0.452 4.934 1.00 0.00 H new ATOM 0 HA TRP A 44 5.784 3.083 3.982 1.00 0.00 H new ATOM 0 HB2 TRP A 44 4.727 0.466 2.939 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.374 1.922 2.030 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.479 3.091 2.994 1.00 0.00 H new ATOM 0 HE1 TRP A 44 9.468 2.329 1.524 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.252 -0.918 0.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 9.971 0.277 -0.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 6.554 -2.239 -0.877 1.00 0.00 H new ATOM 0 HH2 TRP A 44 8.885 -1.649 -1.405 1.00 0.00 H new ATOM 670 N MET A 45 2.679 2.083 4.567 1.00 0.00 N ATOM 671 CA MET A 45 1.323 2.575 4.779 1.00 0.00 C ATOM 672 C MET A 45 1.289 3.593 5.913 1.00 0.00 C ATOM 673 O MET A 45 0.566 4.586 5.849 1.00 0.00 O ATOM 674 CB MET A 45 0.380 1.412 5.095 1.00 0.00 C ATOM 675 CG MET A 45 0.167 0.465 3.925 1.00 0.00 C ATOM 676 SD MET A 45 -1.215 -0.664 4.189 1.00 0.00 S ATOM 677 CE MET A 45 -0.344 -2.167 4.627 1.00 0.00 C ATOM 0 H MET A 45 2.792 1.078 4.703 1.00 0.00 H new ATOM 0 HA MET A 45 0.991 3.064 3.863 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.781 0.850 5.938 1.00 0.00 H new ATOM 0 HB3 MET A 45 -0.584 1.812 5.408 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.011 1.046 3.020 1.00 0.00 H new ATOM 0 HG3 MET A 45 1.077 -0.112 3.759 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.912 -2.709 5.383 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.229 -2.792 3.742 1.00 0.00 H new ATOM 0 HE3 MET A 45 0.640 -1.915 5.023 1.00 0.00 H new ATOM 687 N ASN A 46 2.075 3.335 6.954 1.00 0.00 N ATOM 688 CA ASN A 46 2.133 4.226 8.107 1.00 0.00 C ATOM 689 C ASN A 46 2.737 5.577 7.730 1.00 0.00 C ATOM 690 O ASN A 46 2.331 6.615 8.257 1.00 0.00 O ATOM 691 CB ASN A 46 2.943 3.588 9.237 1.00 0.00 C ATOM 692 CG ASN A 46 2.376 2.252 9.674 1.00 0.00 C ATOM 693 OD1 ASN A 46 3.103 1.266 9.795 1.00 0.00 O ATOM 694 ND2 ASN A 46 1.071 2.211 9.915 1.00 0.00 N ATOM 0 H ASN A 46 2.680 2.517 7.022 1.00 0.00 H new ATOM 0 HA ASN A 46 1.112 4.391 8.452 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.974 3.452 8.909 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.967 4.266 10.090 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.635 1.339 10.213 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.505 3.052 9.802 1.00 0.00 H new ATOM 701 N PHE A 47 3.695 5.575 6.811 1.00 0.00 N ATOM 702 CA PHE A 47 4.308 6.825 6.386 1.00 0.00 C ATOM 703 C PHE A 47 3.316 7.618 5.562 1.00 0.00 C ATOM 704 O PHE A 47 3.249 8.833 5.669 1.00 0.00 O ATOM 705 CB PHE A 47 5.613 6.579 5.607 1.00 0.00 C ATOM 706 CG PHE A 47 5.553 6.915 4.135 1.00 0.00 C ATOM 707 CD1 PHE A 47 5.541 8.236 3.695 1.00 0.00 C ATOM 708 CD2 PHE A 47 5.519 5.903 3.189 1.00 0.00 C ATOM 709 CE1 PHE A 47 5.497 8.530 2.346 1.00 0.00 C ATOM 710 CE2 PHE A 47 5.473 6.195 1.840 1.00 0.00 C ATOM 711 CZ PHE A 47 5.463 7.509 1.417 1.00 0.00 C ATOM 0 H PHE A 47 4.058 4.739 6.354 1.00 0.00 H new ATOM 0 HA PHE A 47 4.575 7.402 7.271 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.408 7.166 6.066 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.889 5.530 5.714 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.566 9.039 4.416 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.529 4.872 3.511 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.489 9.559 2.018 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.445 5.395 1.115 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.429 7.738 0.362 1.00 0.00 H new ATOM 721 N TYR A 48 2.532 6.921 4.753 1.00 0.00 N ATOM 722 CA TYR A 48 1.532 7.584 3.934 1.00 0.00 C ATOM 723 C TYR A 48 0.480 8.231 4.821 1.00 0.00 C ATOM 724 O TYR A 48 0.127 9.391 4.635 1.00 0.00 O ATOM 725 CB TYR A 48 0.869 6.593 2.974 1.00 0.00 C ATOM 726 CG TYR A 48 1.748 6.166 1.820 1.00 0.00 C ATOM 727 CD1 TYR A 48 2.277 7.101 0.940 1.00 0.00 C ATOM 728 CD2 TYR A 48 2.042 4.825 1.608 1.00 0.00 C ATOM 729 CE1 TYR A 48 3.075 6.710 -0.119 1.00 0.00 C ATOM 730 CE2 TYR A 48 2.838 4.428 0.552 1.00 0.00 C ATOM 731 CZ TYR A 48 3.352 5.374 -0.308 1.00 0.00 C ATOM 732 OH TYR A 48 4.146 4.982 -1.362 1.00 0.00 O ATOM 0 H TYR A 48 2.569 5.907 4.647 1.00 0.00 H new ATOM 0 HA TYR A 48 2.028 8.354 3.343 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.568 5.708 3.534 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -0.041 7.043 2.576 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.062 8.149 1.085 1.00 0.00 H new ATOM 0 HD2 TYR A 48 1.641 4.081 2.280 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.479 7.449 -0.795 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.057 3.381 0.401 1.00 0.00 H new ATOM 0 HH TYR A 48 4.244 4.007 -1.353 1.00 0.00 H new ATOM 742 N ILE A 49 -0.033 7.467 5.777 1.00 0.00 N ATOM 743 CA ILE A 49 -1.056 7.975 6.676 1.00 0.00 C ATOM 744 C ILE A 49 -0.590 9.235 7.412 1.00 0.00 C ATOM 745 O ILE A 49 -1.301 10.242 7.433 1.00 0.00 O ATOM 746 CB ILE A 49 -1.505 6.907 7.704 1.00 0.00 C ATOM 747 CG1 ILE A 49 -2.687 7.423 8.522 1.00 0.00 C ATOM 748 CG2 ILE A 49 -0.363 6.512 8.620 1.00 0.00 C ATOM 749 CD1 ILE A 49 -3.393 6.345 9.313 1.00 0.00 C ATOM 0 H ILE A 49 0.242 6.500 5.948 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.911 8.233 6.050 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.816 6.019 7.153 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.335 8.193 9.208 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.403 7.897 7.851 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.709 5.761 9.330 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.454 6.101 8.027 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.011 7.390 9.162 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.221 6.785 9.869 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.776 5.586 8.631 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.691 5.886 10.010 1.00 0.00 H new ATOM 761 N ASN A 50 0.597 9.185 8.019 1.00 0.00 N ATOM 762 CA ASN A 50 1.115 10.341 8.753 1.00 0.00 C ATOM 763 C ASN A 50 1.604 11.445 7.815 1.00 0.00 C ATOM 764 O ASN A 50 1.469 12.631 8.117 1.00 0.00 O ATOM 765 CB ASN A 50 2.237 9.923 9.710 1.00 0.00 C ATOM 766 CG ASN A 50 3.369 9.187 9.020 1.00 0.00 C ATOM 767 OD1 ASN A 50 3.807 9.571 7.937 1.00 0.00 O ATOM 768 ND2 ASN A 50 3.855 8.125 9.652 1.00 0.00 N ATOM 0 H ASN A 50 1.210 8.370 8.018 1.00 0.00 H new ATOM 0 HA ASN A 50 0.287 10.745 9.335 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.636 10.811 10.201 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.821 9.286 10.491 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.622 7.593 9.240 1.00 0.00 H new ATOM 0 HD22 ASN A 50 3.462 7.841 10.549 1.00 0.00 H new ATOM 775 N TYR A 51 2.197 11.051 6.696 1.00 0.00 N ATOM 776 CA TYR A 51 2.737 12.000 5.726 1.00 0.00 C ATOM 777 C TYR A 51 1.630 12.759 5.005 1.00 0.00 C ATOM 778 O TYR A 51 1.706 13.976 4.834 1.00 0.00 O ATOM 779 CB TYR A 51 3.608 11.239 4.729 1.00 0.00 C ATOM 780 CG TYR A 51 4.142 12.058 3.582 1.00 0.00 C ATOM 781 CD1 TYR A 51 4.745 13.291 3.786 1.00 0.00 C ATOM 782 CD2 TYR A 51 4.055 11.575 2.286 1.00 0.00 C ATOM 783 CE1 TYR A 51 5.245 14.019 2.725 1.00 0.00 C ATOM 784 CE2 TYR A 51 4.549 12.293 1.223 1.00 0.00 C ATOM 785 CZ TYR A 51 5.145 13.516 1.443 1.00 0.00 C ATOM 786 OH TYR A 51 5.643 14.239 0.384 1.00 0.00 O ATOM 0 H TYR A 51 2.318 10.073 6.434 1.00 0.00 H new ATOM 0 HA TYR A 51 3.337 12.742 6.253 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.451 10.804 5.266 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.027 10.411 4.323 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.824 13.686 4.788 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.590 10.616 2.108 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.712 14.977 2.897 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.470 11.900 0.220 1.00 0.00 H new ATOM 0 HH TYR A 51 5.494 13.744 -0.449 1.00 0.00 H new ATOM 796 N TYR A 52 0.607 12.034 4.585 1.00 0.00 N ATOM 797 CA TYR A 52 -0.516 12.637 3.881 1.00 0.00 C ATOM 798 C TYR A 52 -1.407 13.411 4.842 1.00 0.00 C ATOM 799 O TYR A 52 -1.900 14.488 4.511 1.00 0.00 O ATOM 800 CB TYR A 52 -1.325 11.567 3.153 1.00 0.00 C ATOM 801 CG TYR A 52 -0.661 11.072 1.891 1.00 0.00 C ATOM 802 CD1 TYR A 52 -0.058 11.960 1.008 1.00 0.00 C ATOM 803 CD2 TYR A 52 -0.633 9.720 1.584 1.00 0.00 C ATOM 804 CE1 TYR A 52 0.555 11.513 -0.144 1.00 0.00 C ATOM 805 CE2 TYR A 52 -0.023 9.264 0.432 1.00 0.00 C ATOM 806 CZ TYR A 52 0.570 10.165 -0.429 1.00 0.00 C ATOM 807 OH TYR A 52 1.183 9.715 -1.576 1.00 0.00 O ATOM 0 H TYR A 52 0.529 11.026 4.719 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.119 13.337 3.145 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.487 10.724 3.825 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.307 11.970 2.905 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.070 13.017 1.227 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.095 9.013 2.256 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.021 12.216 -0.819 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.010 8.208 0.206 1.00 0.00 H new ATOM 0 HH TYR A 52 1.795 8.983 -1.354 1.00 0.00 H new ATOM 817 N ARG A 53 -1.602 12.865 6.038 1.00 0.00 N ATOM 818 CA ARG A 53 -2.428 13.519 7.045 1.00 0.00 C ATOM 819 C ARG A 53 -1.961 14.954 7.278 1.00 0.00 C ATOM 820 O ARG A 53 -2.745 15.818 7.670 1.00 0.00 O ATOM 821 CB ARG A 53 -2.378 12.733 8.360 1.00 0.00 C ATOM 822 CG ARG A 53 -3.157 13.379 9.497 1.00 0.00 C ATOM 823 CD ARG A 53 -2.356 13.389 10.789 1.00 0.00 C ATOM 824 NE ARG A 53 -2.544 12.160 11.558 1.00 0.00 N ATOM 825 CZ ARG A 53 -3.610 11.916 12.316 1.00 0.00 C ATOM 826 NH1 ARG A 53 -4.586 12.810 12.411 1.00 0.00 N ATOM 827 NH2 ARG A 53 -3.702 10.772 12.982 1.00 0.00 N ATOM 0 H ARG A 53 -1.201 11.975 6.332 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.456 13.544 6.682 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.771 11.731 8.188 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.338 12.620 8.664 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.421 14.401 9.224 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.091 12.839 9.652 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.298 13.515 10.559 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.654 14.245 11.394 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.815 11.448 11.511 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.522 13.691 11.901 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.400 12.616 12.994 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.956 10.080 12.913 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.519 10.585 13.563 1.00 0.00 H new ATOM 841 N GLN A 54 -0.673 15.196 7.047 1.00 0.00 N ATOM 842 CA GLN A 54 -0.095 16.520 7.247 1.00 0.00 C ATOM 843 C GLN A 54 0.265 17.202 5.926 1.00 0.00 C ATOM 844 O GLN A 54 0.693 18.357 5.921 1.00 0.00 O ATOM 845 CB GLN A 54 1.155 16.406 8.122 1.00 0.00 C ATOM 846 CG GLN A 54 0.847 16.219 9.599 1.00 0.00 C ATOM 847 CD GLN A 54 2.039 15.705 10.382 1.00 0.00 C ATOM 848 OE1 GLN A 54 2.455 16.311 11.370 1.00 0.00 O ATOM 849 NE2 GLN A 54 2.597 14.584 9.941 1.00 0.00 N ATOM 0 H GLN A 54 -0.011 14.492 6.721 1.00 0.00 H new ATOM 0 HA GLN A 54 -0.848 17.136 7.739 1.00 0.00 H new ATOM 0 HB2 GLN A 54 1.756 15.565 7.775 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.760 17.304 7.996 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.522 17.170 10.022 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.017 15.521 9.708 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.219 14.115 9.118 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.404 14.191 10.425 1.00 0.00 H new ATOM 858 N GLN A 55 0.116 16.493 4.809 1.00 0.00 N ATOM 859 CA GLN A 55 0.456 17.054 3.504 1.00 0.00 C ATOM 860 C GLN A 55 -0.762 17.628 2.778 1.00 0.00 C ATOM 861 O GLN A 55 -0.644 18.100 1.648 1.00 0.00 O ATOM 862 CB GLN A 55 1.107 15.983 2.629 1.00 0.00 C ATOM 863 CG GLN A 55 2.603 15.842 2.847 1.00 0.00 C ATOM 864 CD GLN A 55 3.412 16.322 1.659 1.00 0.00 C ATOM 865 OE1 GLN A 55 2.941 16.298 0.522 1.00 0.00 O ATOM 866 NE2 GLN A 55 4.636 16.763 1.918 1.00 0.00 N ATOM 0 H GLN A 55 -0.235 15.536 4.781 1.00 0.00 H new ATOM 0 HA GLN A 55 1.153 17.873 3.681 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.628 15.024 2.827 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.922 16.221 1.581 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.893 16.409 3.732 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.841 14.797 3.046 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.985 16.765 2.876 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.228 17.100 1.159 1.00 0.00 H new ATOM 927 N PRO A 60 -10.191 20.130 8.016 1.00 0.00 N ATOM 928 CA PRO A 60 -9.770 18.832 8.553 1.00 0.00 C ATOM 929 C PRO A 60 -10.606 17.670 8.022 1.00 0.00 C ATOM 930 O PRO A 60 -10.178 16.516 8.075 1.00 0.00 O ATOM 931 CB PRO A 60 -9.970 18.985 10.063 1.00 0.00 C ATOM 932 CG PRO A 60 -11.002 20.049 10.204 1.00 0.00 C ATOM 933 CD PRO A 60 -10.782 20.993 9.056 1.00 0.00 C ATOM 0 HA PRO A 60 -8.746 18.594 8.264 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -10.301 18.050 10.515 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -9.041 19.267 10.559 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -12.006 19.625 10.174 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -10.902 20.565 11.159 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -11.716 21.444 8.721 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -10.114 21.810 9.329 1.00 0.00 H new ATOM 941 N GLN A 61 -11.798 17.972 7.512 1.00 0.00 N ATOM 942 CA GLN A 61 -12.681 16.940 6.978 1.00 0.00 C ATOM 943 C GLN A 61 -12.108 16.335 5.700 1.00 0.00 C ATOM 944 O GLN A 61 -12.123 15.119 5.515 1.00 0.00 O ATOM 945 CB GLN A 61 -14.072 17.521 6.708 1.00 0.00 C ATOM 946 CG GLN A 61 -15.128 17.050 7.693 1.00 0.00 C ATOM 947 CD GLN A 61 -15.820 15.779 7.242 1.00 0.00 C ATOM 948 OE1 GLN A 61 -16.974 15.804 6.817 1.00 0.00 O ATOM 949 NE2 GLN A 61 -15.115 14.657 7.335 1.00 0.00 N ATOM 0 H GLN A 61 -12.173 18.919 7.458 1.00 0.00 H new ATOM 0 HA GLN A 61 -12.764 16.148 7.722 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -14.015 18.609 6.741 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -14.381 17.249 5.699 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -14.664 16.881 8.665 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -15.871 17.836 7.827 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -14.160 14.683 7.694 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -15.528 13.770 7.048 1.00 0.00 H new ATOM 958 N GLU A 62 -11.597 17.194 4.827 1.00 0.00 N ATOM 959 CA GLU A 62 -11.008 16.749 3.570 1.00 0.00 C ATOM 960 C GLU A 62 -9.813 15.848 3.844 1.00 0.00 C ATOM 961 O GLU A 62 -9.653 14.801 3.214 1.00 0.00 O ATOM 962 CB GLU A 62 -10.578 17.950 2.726 1.00 0.00 C ATOM 963 CG GLU A 62 -11.741 18.768 2.192 1.00 0.00 C ATOM 964 CD GLU A 62 -12.214 18.290 0.833 1.00 0.00 C ATOM 965 OE1 GLU A 62 -12.425 17.070 0.674 1.00 0.00 O ATOM 966 OE2 GLU A 62 -12.373 19.136 -0.072 1.00 0.00 O ATOM 0 H GLU A 62 -11.579 18.204 4.966 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.758 16.185 3.015 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.937 18.595 3.327 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.978 17.597 1.887 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.569 18.720 2.899 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.443 19.814 2.122 1.00 0.00 H new ATOM 973 N ARG A 63 -8.984 16.253 4.801 1.00 0.00 N ATOM 974 CA ARG A 63 -7.813 15.471 5.170 1.00 0.00 C ATOM 975 C ARG A 63 -8.241 14.089 5.638 1.00 0.00 C ATOM 976 O ARG A 63 -7.714 13.073 5.183 1.00 0.00 O ATOM 977 CB ARG A 63 -7.034 16.169 6.290 1.00 0.00 C ATOM 978 CG ARG A 63 -6.386 17.476 5.865 1.00 0.00 C ATOM 979 CD ARG A 63 -6.603 18.570 6.898 1.00 0.00 C ATOM 980 NE ARG A 63 -5.598 19.626 6.797 1.00 0.00 N ATOM 981 CZ ARG A 63 -4.365 19.526 7.287 1.00 0.00 C ATOM 982 NH1 ARG A 63 -3.981 18.422 7.918 1.00 0.00 N ATOM 983 NH2 ARG A 63 -3.512 20.531 7.146 1.00 0.00 N ATOM 0 H ARG A 63 -9.102 17.116 5.333 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.169 15.378 4.295 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.710 16.363 7.123 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.261 15.494 6.657 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.317 17.322 5.717 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.798 17.793 4.907 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.596 19.001 6.767 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.573 18.136 7.897 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.857 20.491 6.323 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.633 17.645 8.029 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.035 18.351 8.292 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.801 21.381 6.662 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.567 20.454 7.522 1.00 0.00 H new ATOM 997 N ASP A 64 -9.193 14.065 6.564 1.00 0.00 N ATOM 998 CA ASP A 64 -9.688 12.813 7.115 1.00 0.00 C ATOM 999 C ASP A 64 -10.179 11.878 6.015 1.00 0.00 C ATOM 1000 O ASP A 64 -9.917 10.673 6.060 1.00 0.00 O ATOM 1001 CB ASP A 64 -10.813 13.083 8.116 1.00 0.00 C ATOM 1002 CG ASP A 64 -10.599 12.364 9.434 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -10.962 11.173 9.527 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -10.067 12.993 10.373 1.00 0.00 O ATOM 0 H ASP A 64 -9.636 14.900 6.948 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.861 12.324 7.629 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -10.884 14.155 8.298 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -11.763 12.769 7.684 1.00 0.00 H new ATOM 1009 N LYS A 65 -10.888 12.415 5.021 1.00 0.00 N ATOM 1010 CA LYS A 65 -11.392 11.590 3.931 1.00 0.00 C ATOM 1011 C LYS A 65 -10.240 10.990 3.137 1.00 0.00 C ATOM 1012 O LYS A 65 -10.200 9.788 2.883 1.00 0.00 O ATOM 1013 CB LYS A 65 -12.278 12.438 3.017 1.00 0.00 C ATOM 1014 CG LYS A 65 -12.902 11.668 1.868 1.00 0.00 C ATOM 1015 CD LYS A 65 -13.660 12.598 0.934 1.00 0.00 C ATOM 1016 CE LYS A 65 -15.153 12.579 1.221 1.00 0.00 C ATOM 1017 NZ LYS A 65 -15.886 13.600 0.422 1.00 0.00 N ATOM 0 H LYS A 65 -11.122 13.405 4.951 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.981 10.773 4.348 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -13.073 12.886 3.614 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -11.684 13.257 2.611 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.124 11.144 1.312 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -13.580 10.910 2.260 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -13.280 13.614 1.043 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -13.483 12.301 -0.100 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -15.553 11.589 0.999 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -15.321 12.760 2.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -16.900 13.554 0.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -15.523 14.547 0.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -15.747 13.413 -0.592 1.00 0.00 H new ATOM 1031 N ALA A 66 -9.303 11.843 2.750 1.00 0.00 N ATOM 1032 CA ALA A 66 -8.143 11.404 1.987 1.00 0.00 C ATOM 1033 C ALA A 66 -7.378 10.328 2.748 1.00 0.00 C ATOM 1034 O ALA A 66 -6.823 9.403 2.154 1.00 0.00 O ATOM 1035 CB ALA A 66 -7.233 12.584 1.681 1.00 0.00 C ATOM 0 H ALA A 66 -9.323 12.843 2.951 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.491 10.979 1.045 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.370 12.240 1.110 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.781 13.325 1.099 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.894 13.034 2.614 1.00 0.00 H new ATOM 1041 N LEU A 67 -7.351 10.462 4.070 1.00 0.00 N ATOM 1042 CA LEU A 67 -6.653 9.512 4.925 1.00 0.00 C ATOM 1043 C LEU A 67 -7.350 8.155 4.943 1.00 0.00 C ATOM 1044 O LEU A 67 -6.690 7.114 4.941 1.00 0.00 O ATOM 1045 CB LEU A 67 -6.547 10.064 6.347 1.00 0.00 C ATOM 1046 CG LEU A 67 -5.202 10.701 6.699 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -4.811 11.743 5.659 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -5.255 11.322 8.088 1.00 0.00 C ATOM 0 H LEU A 67 -7.807 11.223 4.573 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.653 9.369 4.516 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.332 10.807 6.491 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.742 9.254 7.050 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.442 9.920 6.700 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.851 12.184 5.929 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.731 11.269 4.681 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.571 12.523 5.622 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.290 11.771 8.323 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.028 12.090 8.114 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.485 10.551 8.823 1.00 0.00 H new ATOM 1060 N GLN A 68 -8.682 8.160 4.952 1.00 0.00 N ATOM 1061 CA GLN A 68 -9.438 6.912 4.964 1.00 0.00 C ATOM 1062 C GLN A 68 -9.392 6.244 3.594 1.00 0.00 C ATOM 1063 O GLN A 68 -9.184 5.035 3.488 1.00 0.00 O ATOM 1064 CB GLN A 68 -10.890 7.151 5.388 1.00 0.00 C ATOM 1065 CG GLN A 68 -11.592 8.243 4.600 1.00 0.00 C ATOM 1066 CD GLN A 68 -13.064 8.351 4.941 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -13.438 8.959 5.945 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -13.910 7.762 4.104 1.00 0.00 N ATOM 0 H GLN A 68 -9.253 9.005 4.951 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.975 6.248 5.694 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.448 6.221 5.277 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -10.911 7.411 6.446 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.106 9.198 4.797 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.483 8.044 3.534 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.556 7.269 3.284 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.914 7.803 4.281 1.00 0.00 H new ATOM 1077 N GLU A 69 -9.586 7.032 2.544 1.00 0.00 N ATOM 1078 CA GLU A 69 -9.558 6.501 1.190 1.00 0.00 C ATOM 1079 C GLU A 69 -8.172 5.969 0.853 1.00 0.00 C ATOM 1080 O GLU A 69 -8.035 5.002 0.104 1.00 0.00 O ATOM 1081 CB GLU A 69 -9.967 7.580 0.184 1.00 0.00 C ATOM 1082 CG GLU A 69 -11.452 7.577 -0.142 1.00 0.00 C ATOM 1083 CD GLU A 69 -11.869 8.782 -0.963 1.00 0.00 C ATOM 1084 OE1 GLU A 69 -11.600 8.793 -2.182 1.00 0.00 O ATOM 1085 OE2 GLU A 69 -12.465 9.716 -0.386 1.00 0.00 O ATOM 0 H GLU A 69 -9.763 8.035 2.604 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.271 5.678 1.130 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.693 8.557 0.581 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.401 7.440 -0.737 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.699 6.666 -0.688 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.024 7.558 0.786 1.00 0.00 H new ATOM 1092 N LEU A 70 -7.144 6.602 1.413 1.00 0.00 N ATOM 1093 CA LEU A 70 -5.775 6.176 1.165 1.00 0.00 C ATOM 1094 C LEU A 70 -5.506 4.842 1.847 1.00 0.00 C ATOM 1095 O LEU A 70 -4.993 3.909 1.229 1.00 0.00 O ATOM 1096 CB LEU A 70 -4.787 7.233 1.663 1.00 0.00 C ATOM 1097 CG LEU A 70 -4.283 8.202 0.591 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -3.669 9.436 1.235 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -3.276 7.513 -0.317 1.00 0.00 C ATOM 0 H LEU A 70 -7.234 7.405 2.036 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.640 6.054 0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.263 7.808 2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.929 6.727 2.106 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.131 8.519 -0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.316 10.114 0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.420 9.940 1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.831 9.139 1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.928 8.216 -1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.429 7.168 0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.749 6.661 -0.804 1.00 0.00 H new ATOM 1111 N ARG A 71 -5.859 4.755 3.126 1.00 0.00 N ATOM 1112 CA ARG A 71 -5.656 3.527 3.885 1.00 0.00 C ATOM 1113 C ARG A 71 -6.383 2.363 3.221 1.00 0.00 C ATOM 1114 O ARG A 71 -5.883 1.238 3.204 1.00 0.00 O ATOM 1115 CB ARG A 71 -6.126 3.691 5.332 1.00 0.00 C ATOM 1116 CG ARG A 71 -7.557 4.177 5.457 1.00 0.00 C ATOM 1117 CD ARG A 71 -7.978 4.305 6.912 1.00 0.00 C ATOM 1118 NE ARG A 71 -7.660 3.105 7.682 1.00 0.00 N ATOM 1119 CZ ARG A 71 -8.394 1.995 7.662 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -9.489 1.929 6.915 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -8.033 0.949 8.392 1.00 0.00 N ATOM 0 H ARG A 71 -6.285 5.516 3.656 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.588 3.312 3.897 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.030 2.735 5.846 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.467 4.394 5.841 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.659 5.143 4.962 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.224 3.484 4.944 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.480 5.165 7.359 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.050 4.495 6.964 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.826 3.119 8.270 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.772 2.731 6.352 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.048 1.076 6.903 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.193 0.995 8.969 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.595 0.098 8.377 1.00 0.00 H new ATOM 1135 N GLN A 72 -7.562 2.637 2.665 1.00 0.00 N ATOM 1136 CA GLN A 72 -8.340 1.606 1.991 1.00 0.00 C ATOM 1137 C GLN A 72 -7.628 1.152 0.721 1.00 0.00 C ATOM 1138 O GLN A 72 -7.521 -0.045 0.447 1.00 0.00 O ATOM 1139 CB GLN A 72 -9.740 2.130 1.653 1.00 0.00 C ATOM 1140 CG GLN A 72 -10.861 1.248 2.175 1.00 0.00 C ATOM 1141 CD GLN A 72 -11.562 0.480 1.071 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -10.947 -0.328 0.375 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -12.855 0.731 0.904 1.00 0.00 N ATOM 0 H GLN A 72 -7.995 3.560 2.669 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.439 0.752 2.662 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -9.854 3.132 2.067 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.834 2.220 0.571 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.456 0.544 2.901 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -11.589 1.865 2.701 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -13.325 1.409 1.504 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -13.379 0.246 0.176 1.00 0.00 H new ATOM 1152 N GLU A 73 -7.132 2.120 -0.047 1.00 0.00 N ATOM 1153 CA GLU A 73 -6.419 1.825 -1.284 1.00 0.00 C ATOM 1154 C GLU A 73 -5.235 0.906 -1.008 1.00 0.00 C ATOM 1155 O GLU A 73 -4.994 -0.048 -1.744 1.00 0.00 O ATOM 1156 CB GLU A 73 -5.939 3.121 -1.945 1.00 0.00 C ATOM 1157 CG GLU A 73 -6.589 3.392 -3.292 1.00 0.00 C ATOM 1158 CD GLU A 73 -8.048 3.787 -3.167 1.00 0.00 C ATOM 1159 OE1 GLU A 73 -8.876 2.908 -2.850 1.00 0.00 O ATOM 1160 OE2 GLU A 73 -8.361 4.976 -3.386 1.00 0.00 O ATOM 0 H GLU A 73 -7.212 3.114 0.167 1.00 0.00 H new ATOM 0 HA GLU A 73 -7.103 1.318 -1.965 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.144 3.958 -1.277 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.858 3.074 -2.075 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.044 4.187 -3.801 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.510 2.501 -3.915 1.00 0.00 H new ATOM 1167 N LEU A 74 -4.506 1.194 0.065 1.00 0.00 N ATOM 1168 CA LEU A 74 -3.357 0.384 0.444 1.00 0.00 C ATOM 1169 C LEU A 74 -3.809 -1.006 0.876 1.00 0.00 C ATOM 1170 O LEU A 74 -3.211 -2.010 0.498 1.00 0.00 O ATOM 1171 CB LEU A 74 -2.579 1.058 1.576 1.00 0.00 C ATOM 1172 CG LEU A 74 -2.091 2.476 1.270 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -2.177 3.349 2.513 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -0.667 2.444 0.734 1.00 0.00 C ATOM 0 H LEU A 74 -4.691 1.982 0.686 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.702 0.288 -0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.212 1.091 2.462 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.717 0.439 1.823 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.736 2.906 0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.826 4.354 2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.211 3.397 2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.555 2.923 3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.335 3.460 0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.008 1.995 1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.636 1.853 -0.182 1.00 0.00 H new ATOM 1186 N ASN A 75 -4.862 -1.054 1.687 1.00 0.00 N ATOM 1187 CA ASN A 75 -5.387 -2.320 2.187 1.00 0.00 C ATOM 1188 C ASN A 75 -5.663 -3.288 1.041 1.00 0.00 C ATOM 1189 O ASN A 75 -5.326 -4.470 1.122 1.00 0.00 O ATOM 1190 CB ASN A 75 -6.669 -2.083 2.989 1.00 0.00 C ATOM 1191 CG ASN A 75 -6.399 -1.890 4.468 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -5.766 -2.727 5.110 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -6.880 -0.780 5.018 1.00 0.00 N ATOM 0 H ASN A 75 -5.368 -0.230 2.012 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.634 -2.763 2.839 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.181 -1.204 2.598 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.341 -2.930 2.853 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.730 -0.596 6.010 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.400 -0.112 4.448 1.00 0.00 H new ATOM 1200 N THR A 76 -6.253 -2.780 -0.034 1.00 0.00 N ATOM 1201 CA THR A 76 -6.534 -3.620 -1.193 1.00 0.00 C ATOM 1202 C THR A 76 -5.280 -3.771 -2.052 1.00 0.00 C ATOM 1203 O THR A 76 -4.889 -4.877 -2.411 1.00 0.00 O ATOM 1204 CB THR A 76 -7.685 -3.039 -2.022 1.00 0.00 C ATOM 1205 OG1 THR A 76 -7.952 -3.856 -3.148 1.00 0.00 O ATOM 1206 CG2 THR A 76 -7.425 -1.635 -2.526 1.00 0.00 C ATOM 0 H THR A 76 -6.543 -1.807 -0.128 1.00 0.00 H new ATOM 0 HA THR A 76 -6.836 -4.605 -0.838 1.00 0.00 H new ATOM 0 HB THR A 76 -8.536 -3.006 -1.342 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.690 -3.470 -3.664 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.283 -1.291 -3.104 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.267 -0.968 -1.679 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.538 -1.634 -3.159 1.00 0.00 H new ATOM 1214 N LEU A 77 -4.669 -2.640 -2.389 1.00 0.00 N ATOM 1215 CA LEU A 77 -3.468 -2.618 -3.224 1.00 0.00 C ATOM 1216 C LEU A 77 -2.396 -3.590 -2.725 1.00 0.00 C ATOM 1217 O LEU A 77 -1.740 -4.262 -3.522 1.00 0.00 O ATOM 1218 CB LEU A 77 -2.893 -1.199 -3.276 1.00 0.00 C ATOM 1219 CG LEU A 77 -3.586 -0.252 -4.259 1.00 0.00 C ATOM 1220 CD1 LEU A 77 -2.853 1.078 -4.323 1.00 0.00 C ATOM 1221 CD2 LEU A 77 -3.671 -0.883 -5.641 1.00 0.00 C ATOM 0 H LEU A 77 -4.988 -1.717 -2.094 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.763 -2.938 -4.223 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.948 -0.765 -2.278 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.837 -1.261 -3.539 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.600 -0.069 -3.903 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.359 1.739 -5.027 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.846 1.537 -3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.828 0.913 -4.654 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.167 -0.195 -6.325 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.666 -1.097 -6.006 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.241 -1.810 -5.583 1.00 0.00 H new ATOM 1233 N ALA A 78 -2.205 -3.644 -1.411 1.00 0.00 N ATOM 1234 CA ALA A 78 -1.194 -4.517 -0.813 1.00 0.00 C ATOM 1235 C ALA A 78 -1.618 -5.986 -0.808 1.00 0.00 C ATOM 1236 O ALA A 78 -0.772 -6.880 -0.803 1.00 0.00 O ATOM 1237 CB ALA A 78 -0.884 -4.058 0.604 1.00 0.00 C ATOM 0 H ALA A 78 -2.737 -3.094 -0.737 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.298 -4.444 -1.430 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.131 -4.713 1.042 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.507 -3.036 0.581 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.792 -4.096 1.206 1.00 0.00 H new ATOM 1243 N ASN A 79 -2.924 -6.233 -0.774 1.00 0.00 N ATOM 1244 CA ASN A 79 -3.439 -7.602 -0.727 1.00 0.00 C ATOM 1245 C ASN A 79 -2.832 -8.482 -1.824 1.00 0.00 C ATOM 1246 O ASN A 79 -2.352 -9.580 -1.542 1.00 0.00 O ATOM 1247 CB ASN A 79 -4.965 -7.596 -0.848 1.00 0.00 C ATOM 1248 CG ASN A 79 -5.651 -7.969 0.452 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -5.251 -7.524 1.527 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -6.689 -8.791 0.359 1.00 0.00 N ATOM 0 H ASN A 79 -3.643 -5.510 -0.778 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.150 -8.026 0.235 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.298 -6.606 -1.160 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.267 -8.294 -1.628 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.189 -9.078 1.200 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.986 -9.136 -0.554 1.00 0.00 H new ATOM 1257 N PRO A 80 -2.835 -8.026 -3.089 1.00 0.00 N ATOM 1258 CA PRO A 80 -2.274 -8.801 -4.200 1.00 0.00 C ATOM 1259 C PRO A 80 -0.753 -8.895 -4.140 1.00 0.00 C ATOM 1260 O PRO A 80 -0.158 -9.807 -4.716 1.00 0.00 O ATOM 1261 CB PRO A 80 -2.712 -8.018 -5.439 1.00 0.00 C ATOM 1262 CG PRO A 80 -2.900 -6.623 -4.957 1.00 0.00 C ATOM 1263 CD PRO A 80 -3.386 -6.737 -3.539 1.00 0.00 C ATOM 0 HA PRO A 80 -2.621 -9.834 -4.186 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -1.959 -8.067 -6.225 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.635 -8.421 -5.856 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -1.965 -6.064 -5.005 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.622 -6.090 -5.576 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.028 -5.911 -2.924 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.475 -6.725 -3.486 1.00 0.00 H new ATOM 1271 N PHE A 81 -0.121 -7.954 -3.438 1.00 0.00 N ATOM 1272 CA PHE A 81 1.334 -7.940 -3.307 1.00 0.00 C ATOM 1273 C PHE A 81 1.809 -9.061 -2.389 1.00 0.00 C ATOM 1274 O PHE A 81 2.690 -9.841 -2.750 1.00 0.00 O ATOM 1275 CB PHE A 81 1.786 -6.587 -2.749 1.00 0.00 C ATOM 1276 CG PHE A 81 3.262 -6.333 -2.864 1.00 0.00 C ATOM 1277 CD1 PHE A 81 4.181 -7.146 -2.216 1.00 0.00 C ATOM 1278 CD2 PHE A 81 3.730 -5.272 -3.619 1.00 0.00 C ATOM 1279 CE1 PHE A 81 5.538 -6.901 -2.321 1.00 0.00 C ATOM 1280 CE2 PHE A 81 5.084 -5.022 -3.727 1.00 0.00 C ATOM 1281 CZ PHE A 81 5.989 -5.838 -3.078 1.00 0.00 C ATOM 0 H PHE A 81 -0.595 -7.192 -2.952 1.00 0.00 H new ATOM 0 HA PHE A 81 1.772 -8.096 -4.293 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.251 -5.794 -3.272 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.499 -6.526 -1.699 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.833 -7.979 -1.623 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.027 -4.631 -4.131 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.244 -7.540 -1.812 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.434 -4.189 -4.318 1.00 0.00 H new ATOM 0 HZ PHE A 81 7.048 -5.645 -3.162 1.00 0.00 H new ATOM 1291 N LEU A 82 1.219 -9.133 -1.201 1.00 0.00 N ATOM 1292 CA LEU A 82 1.582 -10.159 -0.231 1.00 0.00 C ATOM 1293 C LEU A 82 1.356 -11.548 -0.813 1.00 0.00 C ATOM 1294 O LEU A 82 2.194 -12.436 -0.670 1.00 0.00 O ATOM 1295 CB LEU A 82 0.775 -9.986 1.056 1.00 0.00 C ATOM 1296 CG LEU A 82 0.842 -8.589 1.680 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -0.150 -8.468 2.826 1.00 0.00 C ATOM 1298 CD2 LEU A 82 2.255 -8.288 2.160 1.00 0.00 C ATOM 0 H LEU A 82 0.488 -8.494 -0.887 1.00 0.00 H new ATOM 0 HA LEU A 82 2.641 -10.050 0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.268 -10.225 0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.128 -10.712 1.789 1.00 0.00 H new ATOM 0 HG LEU A 82 0.575 -7.857 0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.088 -7.469 3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.160 -8.640 2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.085 -9.208 3.591 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.285 -7.292 2.601 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.550 -9.024 2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.943 -8.332 1.316 1.00 0.00 H new ATOM 1310 N ALA A 83 0.217 -11.727 -1.472 1.00 0.00 N ATOM 1311 CA ALA A 83 -0.114 -13.007 -2.080 1.00 0.00 C ATOM 1312 C ALA A 83 0.908 -13.378 -3.144 1.00 0.00 C ATOM 1313 O ALA A 83 1.426 -14.495 -3.160 1.00 0.00 O ATOM 1314 CB ALA A 83 -1.515 -12.971 -2.672 1.00 0.00 C ATOM 0 H ALA A 83 -0.490 -11.003 -1.598 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.089 -13.771 -1.303 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.745 -13.937 -3.122 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.237 -12.757 -1.884 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.568 -12.194 -3.434 1.00 0.00 H new ATOM 1320 N LYS A 84 1.204 -12.431 -4.024 1.00 0.00 N ATOM 1321 CA LYS A 84 2.180 -12.655 -5.084 1.00 0.00 C ATOM 1322 C LYS A 84 3.540 -12.994 -4.484 1.00 0.00 C ATOM 1323 O LYS A 84 4.247 -13.877 -4.971 1.00 0.00 O ATOM 1324 CB LYS A 84 2.293 -11.416 -5.975 1.00 0.00 C ATOM 1325 CG LYS A 84 3.117 -11.644 -7.231 1.00 0.00 C ATOM 1326 CD LYS A 84 2.285 -12.280 -8.333 1.00 0.00 C ATOM 1327 CE LYS A 84 3.162 -12.815 -9.454 1.00 0.00 C ATOM 1328 NZ LYS A 84 2.555 -12.583 -10.793 1.00 0.00 N ATOM 0 H LYS A 84 0.784 -11.502 -4.026 1.00 0.00 H new ATOM 0 HA LYS A 84 1.844 -13.494 -5.693 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.292 -11.092 -6.261 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.739 -10.605 -5.400 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.521 -10.694 -7.580 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.967 -12.285 -6.999 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.688 -13.092 -7.917 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.588 -11.545 -8.734 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.140 -12.335 -9.411 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.325 -13.883 -9.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.184 -12.962 -11.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.633 -13.062 -10.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.423 -11.562 -10.942 1.00 0.00 H new ATOM 1342 N TYR A 85 3.889 -12.290 -3.412 1.00 0.00 N ATOM 1343 CA TYR A 85 5.159 -12.536 -2.746 1.00 0.00 C ATOM 1344 C TYR A 85 5.167 -13.939 -2.152 1.00 0.00 C ATOM 1345 O TYR A 85 6.096 -14.713 -2.382 1.00 0.00 O ATOM 1346 CB TYR A 85 5.434 -11.501 -1.655 1.00 0.00 C ATOM 1347 CG TYR A 85 6.876 -11.500 -1.202 1.00 0.00 C ATOM 1348 CD1 TYR A 85 7.889 -11.065 -2.049 1.00 0.00 C ATOM 1349 CD2 TYR A 85 7.229 -11.950 0.064 1.00 0.00 C ATOM 1350 CE1 TYR A 85 9.211 -11.075 -1.646 1.00 0.00 C ATOM 1351 CE2 TYR A 85 8.548 -11.961 0.474 1.00 0.00 C ATOM 1352 CZ TYR A 85 9.534 -11.524 -0.384 1.00 0.00 C ATOM 1353 OH TYR A 85 10.848 -11.535 0.021 1.00 0.00 O ATOM 0 H TYR A 85 3.319 -11.556 -2.992 1.00 0.00 H new ATOM 0 HA TYR A 85 5.951 -12.450 -3.490 1.00 0.00 H new ATOM 0 HB2 TYR A 85 5.173 -10.510 -2.026 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.789 -11.701 -0.799 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.639 -10.713 -3.039 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.460 -12.297 0.738 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.986 -10.733 -2.316 1.00 0.00 H new ATOM 0 HE2 TYR A 85 8.806 -12.311 1.463 1.00 0.00 H new ATOM 0 HH TYR A 85 11.189 -12.453 -0.000 1.00 0.00 H new ATOM 1363 N ARG A 86 4.133 -14.263 -1.377 1.00 0.00 N ATOM 1364 CA ARG A 86 4.041 -15.574 -0.744 1.00 0.00 C ATOM 1365 C ARG A 86 4.167 -16.680 -1.785 1.00 0.00 C ATOM 1366 O ARG A 86 4.826 -17.692 -1.549 1.00 0.00 O ATOM 1367 CB ARG A 86 2.715 -15.714 0.008 1.00 0.00 C ATOM 1368 CG ARG A 86 2.816 -15.372 1.487 1.00 0.00 C ATOM 1369 CD ARG A 86 2.071 -16.380 2.349 1.00 0.00 C ATOM 1370 NE ARG A 86 0.682 -15.984 2.581 1.00 0.00 N ATOM 1371 CZ ARG A 86 -0.349 -16.412 1.853 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -0.162 -17.250 0.840 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -1.576 -15.999 2.141 1.00 0.00 N ATOM 0 H ARG A 86 3.352 -13.639 -1.174 1.00 0.00 H new ATOM 0 HA ARG A 86 4.861 -15.667 -0.032 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.973 -15.065 -0.457 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.354 -16.737 -0.096 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.865 -15.344 1.783 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.410 -14.375 1.659 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.093 -17.357 1.866 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.582 -16.486 3.306 1.00 0.00 H new ATOM 0 HE ARG A 86 0.491 -15.340 3.348 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.778 -17.573 0.612 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.959 -17.571 0.290 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.728 -15.356 2.918 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.367 -16.325 1.586 1.00 0.00 H new ATOM 1387 N ASP A 87 3.551 -16.475 -2.945 1.00 0.00 N ATOM 1388 CA ASP A 87 3.624 -17.455 -4.019 1.00 0.00 C ATOM 1389 C ASP A 87 5.056 -17.559 -4.531 1.00 0.00 C ATOM 1390 O ASP A 87 5.533 -18.642 -4.863 1.00 0.00 O ATOM 1391 CB ASP A 87 2.684 -17.064 -5.163 1.00 0.00 C ATOM 1392 CG ASP A 87 1.273 -17.577 -4.951 1.00 0.00 C ATOM 1393 OD1 ASP A 87 1.021 -18.763 -5.255 1.00 0.00 O ATOM 1394 OD2 ASP A 87 0.419 -16.794 -4.486 1.00 0.00 O ATOM 0 H ASP A 87 3.000 -15.645 -3.163 1.00 0.00 H new ATOM 0 HA ASP A 87 3.313 -18.425 -3.630 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.663 -15.978 -5.258 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.074 -17.458 -6.101 1.00 0.00 H new ATOM 1399 N PHE A 88 5.735 -16.417 -4.589 1.00 0.00 N ATOM 1400 CA PHE A 88 7.118 -16.367 -5.054 1.00 0.00 C ATOM 1401 C PHE A 88 8.029 -17.173 -4.132 1.00 0.00 C ATOM 1402 O PHE A 88 8.940 -17.862 -4.591 1.00 0.00 O ATOM 1403 CB PHE A 88 7.606 -14.916 -5.122 1.00 0.00 C ATOM 1404 CG PHE A 88 9.078 -14.792 -5.399 1.00 0.00 C ATOM 1405 CD1 PHE A 88 9.587 -15.121 -6.644 1.00 0.00 C ATOM 1406 CD2 PHE A 88 9.953 -14.357 -4.413 1.00 0.00 C ATOM 1407 CE1 PHE A 88 10.940 -15.019 -6.902 1.00 0.00 C ATOM 1408 CE2 PHE A 88 11.305 -14.252 -4.667 1.00 0.00 C ATOM 1409 CZ PHE A 88 11.798 -14.583 -5.913 1.00 0.00 C ATOM 0 H PHE A 88 5.349 -15.512 -4.319 1.00 0.00 H new ATOM 0 HA PHE A 88 7.154 -16.804 -6.052 1.00 0.00 H new ATOM 0 HB2 PHE A 88 7.052 -14.391 -5.900 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.379 -14.420 -4.179 1.00 0.00 H new ATOM 0 HD1 PHE A 88 8.919 -15.461 -7.422 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.571 -14.098 -3.436 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.326 -15.280 -7.876 1.00 0.00 H new ATOM 0 HE2 PHE A 88 11.976 -13.912 -3.892 1.00 0.00 H new ATOM 0 HZ PHE A 88 12.856 -14.501 -6.114 1.00 0.00 H new ATOM 1419 N LEU A 89 7.784 -17.073 -2.832 1.00 0.00 N ATOM 1420 CA LEU A 89 8.588 -17.784 -1.846 1.00 0.00 C ATOM 1421 C LEU A 89 8.193 -19.258 -1.773 1.00 0.00 C ATOM 1422 O LEU A 89 9.047 -20.134 -1.643 1.00 0.00 O ATOM 1423 CB LEU A 89 8.438 -17.133 -0.469 1.00 0.00 C ATOM 1424 CG LEU A 89 9.640 -16.307 -0.008 1.00 0.00 C ATOM 1425 CD1 LEU A 89 9.913 -15.173 -0.982 1.00 0.00 C ATOM 1426 CD2 LEU A 89 9.404 -15.766 1.395 1.00 0.00 C ATOM 0 H LEU A 89 7.035 -16.506 -2.435 1.00 0.00 H new ATOM 0 HA LEU A 89 9.631 -17.725 -2.157 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.558 -16.490 -0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.250 -17.915 0.267 1.00 0.00 H new ATOM 0 HG LEU A 89 10.517 -16.954 0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.771 -14.596 -0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 89 10.124 -15.584 -1.969 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.039 -14.524 -1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.268 -15.180 1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.517 -15.133 1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.258 -16.597 2.086 1.00 0.00 H new ATOM 1438 N LYS A 90 6.891 -19.524 -1.854 1.00 0.00 N ATOM 1439 CA LYS A 90 6.383 -20.891 -1.795 1.00 0.00 C ATOM 1440 C LYS A 90 6.730 -21.659 -3.067 1.00 0.00 C ATOM 1441 O LYS A 90 7.020 -22.854 -3.023 1.00 0.00 O ATOM 1442 CB LYS A 90 4.867 -20.886 -1.585 1.00 0.00 C ATOM 1443 CG LYS A 90 4.457 -20.645 -0.141 1.00 0.00 C ATOM 1444 CD LYS A 90 2.986 -20.961 0.082 1.00 0.00 C ATOM 1445 CE LYS A 90 2.588 -20.757 1.536 1.00 0.00 C ATOM 1446 NZ LYS A 90 1.181 -20.286 1.669 1.00 0.00 N ATOM 0 H LYS A 90 6.170 -18.811 -1.961 1.00 0.00 H new ATOM 0 HA LYS A 90 6.858 -21.391 -0.951 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.423 -20.114 -2.214 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.459 -21.841 -1.916 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.067 -21.262 0.519 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.651 -19.606 0.125 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.375 -20.324 -0.557 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.785 -21.992 -0.210 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.710 -21.694 2.080 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.258 -20.031 1.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.175 -19.292 1.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.699 -20.370 0.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.686 -20.867 2.375 1.00 0.00 H new ATOM 1460 N SER A 91 6.701 -20.962 -4.198 1.00 0.00 N ATOM 1461 CA SER A 91 7.012 -21.574 -5.485 1.00 0.00 C ATOM 1462 C SER A 91 8.520 -21.760 -5.661 1.00 0.00 C ATOM 1463 O SER A 91 8.968 -22.338 -6.651 1.00 0.00 O ATOM 1464 CB SER A 91 6.459 -20.718 -6.625 1.00 0.00 C ATOM 1465 OG SER A 91 6.668 -21.343 -7.879 1.00 0.00 O ATOM 0 H SER A 91 6.465 -19.971 -4.250 1.00 0.00 H new ATOM 0 HA SER A 91 6.541 -22.557 -5.510 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.393 -20.548 -6.473 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.941 -19.741 -6.617 1.00 0.00 H new ATOM 0 HG SER A 91 7.435 -21.950 -7.818 1.00 0.00 H new