USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 803 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 72 HIS : no HD1:sc= -4.43! C(o=-13!,f=-13!) USER MOD Set 1.2: A 75 LYS NZ :NH3+ -110:sc= -0.675 (180deg=0) USER MOD Set 1.3: A 76 ASN : amide:sc= -7.43! C(o=-13!,f=-21!) USER MOD Set 2.1: A 17 ASN : amide:sc= -0.14 X(o=0.13,f=-0.05) USER MOD Set 2.2: A 20 THR OG1 : rot 76:sc= 0.275 USER MOD Single : A 1 LEU N :NH3+ -125:sc= -3.56! (180deg=-6.66!) USER MOD Single : A 2 LYS NZ :NH3+ 160:sc= -0.105 (180deg=-0.797) USER MOD Single : A 14 ASN : amide:sc= -0.562 K(o=-0.56,f=-4.4!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HE2:sc= -6.64! C(o=-6.6!,f=-12!) USER MOD Single : A 28 ASN :FLIP amide:sc= -0.63 F(o=-3.6!,f=-0.63) USER MOD Single : A 29 SER OG : rot -65:sc= 1.1 USER MOD Single : A 36 GLN :FLIP amide:sc= -6.3! C(o=-7.3!,f=-6.3!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 130:sc= -0.328 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN :FLIP amide:sc= 0.831! C(o=-2.7!,f=0.83!) USER MOD Single : A 59 MET CE :methyl -179:sc= 0 (180deg=-0.00122) USER MOD Single : A 62 MET CE :methyl -164:sc= -0.456 (180deg=-1.29) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 177:sc= -0.0136 (180deg=-0.0298) USER MOD Single : A 79 THR OG1 : rot -130:sc= -0.597 USER MOD Single : A 80 ASN :FLIP amide:sc= -0.593 F(o=-2,f=-0.59) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.383 F(o=-2.9!,f=-0.38) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 138:sc= 0.459 USER MOD Single : A 94 THR OG1 : rot -42:sc= 0.457 USER MOD Single : A 95 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 154:sc= -0.223 (180deg=-1.14) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 30.139 28.675 10.018 1.00 0.00 N ATOM 2 CA LEU A 1 30.405 27.516 9.119 1.00 0.00 C ATOM 3 C LEU A 1 29.476 26.359 9.498 1.00 0.00 C ATOM 4 O LEU A 1 29.396 25.964 10.645 1.00 0.00 O ATOM 5 CB LEU A 1 31.867 27.075 9.272 1.00 0.00 C ATOM 6 CG LEU A 1 32.778 28.004 8.464 1.00 0.00 C ATOM 7 CD1 LEU A 1 32.575 29.450 8.922 1.00 0.00 C ATOM 8 CD2 LEU A 1 34.238 27.600 8.683 1.00 0.00 C ATOM 0 H1 LEU A 1 29.922 29.516 9.446 1.00 0.00 H new ATOM 0 H2 LEU A 1 29.330 28.458 10.634 1.00 0.00 H new ATOM 0 H3 LEU A 1 30.979 28.861 10.602 1.00 0.00 H new ATOM 0 HA LEU A 1 30.222 27.805 8.084 1.00 0.00 H new ATOM 0 HB2 LEU A 1 32.154 27.094 10.323 1.00 0.00 H new ATOM 0 HB3 LEU A 1 31.984 26.047 8.928 1.00 0.00 H new ATOM 0 HG LEU A 1 32.531 27.923 7.405 1.00 0.00 H new ATOM 0 HD11 LEU A 1 33.224 30.109 8.346 1.00 0.00 H new ATOM 0 HD12 LEU A 1 31.535 29.738 8.767 1.00 0.00 H new ATOM 0 HD13 LEU A 1 32.820 29.534 9.981 1.00 0.00 H new ATOM 0 HD21 LEU A 1 34.888 28.260 8.109 1.00 0.00 H new ATOM 0 HD22 LEU A 1 34.483 27.681 9.742 1.00 0.00 H new ATOM 0 HD23 LEU A 1 34.384 26.571 8.354 1.00 0.00 H new ATOM 20 N LYS A 2 28.772 25.812 8.542 1.00 0.00 N ATOM 21 CA LYS A 2 27.846 24.678 8.841 1.00 0.00 C ATOM 22 C LYS A 2 27.777 23.749 7.627 1.00 0.00 C ATOM 23 O LYS A 2 27.356 22.614 7.724 1.00 0.00 O ATOM 24 CB LYS A 2 26.449 25.227 9.140 1.00 0.00 C ATOM 25 CG LYS A 2 26.468 25.982 10.470 1.00 0.00 C ATOM 26 CD LYS A 2 25.039 26.357 10.866 1.00 0.00 C ATOM 27 CE LYS A 2 25.045 27.010 12.249 1.00 0.00 C ATOM 28 NZ LYS A 2 26.073 28.089 12.284 1.00 0.00 N ATOM 0 H LYS A 2 28.798 26.102 7.564 1.00 0.00 H new ATOM 0 HA LYS A 2 28.212 24.125 9.706 1.00 0.00 H new ATOM 0 HB2 LYS A 2 26.129 25.892 8.338 1.00 0.00 H new ATOM 0 HB3 LYS A 2 25.728 24.411 9.184 1.00 0.00 H new ATOM 0 HG2 LYS A 2 26.921 25.363 11.245 1.00 0.00 H new ATOM 0 HG3 LYS A 2 27.079 26.880 10.382 1.00 0.00 H new ATOM 0 HD2 LYS A 2 24.615 27.041 10.131 1.00 0.00 H new ATOM 0 HD3 LYS A 2 24.408 25.468 10.875 1.00 0.00 H new ATOM 0 HE2 LYS A 2 24.061 27.423 12.472 1.00 0.00 H new ATOM 0 HE3 LYS A 2 25.259 26.264 13.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 25.863 28.744 13.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 27.013 27.668 12.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 26.061 28.609 11.383 1.00 0.00 H new ATOM 42 N GLU A 3 28.188 24.225 6.483 1.00 0.00 N ATOM 43 CA GLU A 3 28.147 23.372 5.263 1.00 0.00 C ATOM 44 C GLU A 3 26.736 22.813 5.076 1.00 0.00 C ATOM 45 O GLU A 3 26.515 21.621 5.146 1.00 0.00 O ATOM 46 CB GLU A 3 29.137 22.215 5.416 1.00 0.00 C ATOM 47 CG GLU A 3 29.317 21.515 4.067 1.00 0.00 C ATOM 48 CD GLU A 3 30.119 22.416 3.126 1.00 0.00 C ATOM 49 OE1 GLU A 3 31.220 22.791 3.494 1.00 0.00 O ATOM 50 OE2 GLU A 3 29.619 22.715 2.055 1.00 0.00 O ATOM 0 H GLU A 3 28.550 25.168 6.341 1.00 0.00 H new ATOM 0 HA GLU A 3 28.418 23.971 4.393 1.00 0.00 H new ATOM 0 HB2 GLU A 3 30.096 22.588 5.775 1.00 0.00 H new ATOM 0 HB3 GLU A 3 28.772 21.506 6.160 1.00 0.00 H new ATOM 0 HG2 GLU A 3 29.833 20.565 4.205 1.00 0.00 H new ATOM 0 HG3 GLU A 3 28.344 21.289 3.630 1.00 0.00 H new ATOM 57 N VAL A 4 25.777 23.666 4.837 1.00 0.00 N ATOM 58 CA VAL A 4 24.381 23.184 4.644 1.00 0.00 C ATOM 59 C VAL A 4 24.309 22.331 3.373 1.00 0.00 C ATOM 60 O VAL A 4 25.250 21.649 3.021 1.00 0.00 O ATOM 61 CB VAL A 4 23.442 24.385 4.516 1.00 0.00 C ATOM 62 CG1 VAL A 4 23.512 25.225 5.793 1.00 0.00 C ATOM 63 CG2 VAL A 4 23.869 25.241 3.321 1.00 0.00 C ATOM 0 H VAL A 4 25.901 24.676 4.767 1.00 0.00 H new ATOM 0 HA VAL A 4 24.079 22.581 5.500 1.00 0.00 H new ATOM 0 HB VAL A 4 22.421 24.033 4.366 1.00 0.00 H new ATOM 0 HG11 VAL A 4 22.843 26.081 5.703 1.00 0.00 H new ATOM 0 HG12 VAL A 4 23.210 24.617 6.646 1.00 0.00 H new ATOM 0 HG13 VAL A 4 24.533 25.576 5.942 1.00 0.00 H new ATOM 0 HG21 VAL A 4 23.200 26.097 3.229 1.00 0.00 H new ATOM 0 HG22 VAL A 4 24.890 25.592 3.471 1.00 0.00 H new ATOM 0 HG23 VAL A 4 23.821 24.644 2.410 1.00 0.00 H new ATOM 73 N TRP A 5 23.201 22.362 2.681 1.00 0.00 N ATOM 74 CA TRP A 5 23.073 21.551 1.434 1.00 0.00 C ATOM 75 C TRP A 5 22.054 22.210 0.502 1.00 0.00 C ATOM 76 O TRP A 5 21.792 23.393 0.591 1.00 0.00 O ATOM 77 CB TRP A 5 22.602 20.140 1.792 1.00 0.00 C ATOM 78 CG TRP A 5 21.303 20.220 2.528 1.00 0.00 C ATOM 79 CD1 TRP A 5 20.081 20.192 1.950 1.00 0.00 C ATOM 80 CD2 TRP A 5 21.076 20.341 3.962 1.00 0.00 C ATOM 81 NE1 TRP A 5 19.116 20.288 2.938 1.00 0.00 N ATOM 82 CE2 TRP A 5 19.681 20.382 4.196 1.00 0.00 C ATOM 83 CE3 TRP A 5 21.937 20.417 5.071 1.00 0.00 C ATOM 84 CZ2 TRP A 5 19.158 20.495 5.487 1.00 0.00 C ATOM 85 CZ3 TRP A 5 21.415 20.532 6.371 1.00 0.00 C ATOM 86 CH2 TRP A 5 20.030 20.571 6.578 1.00 0.00 C ATOM 0 H TRP A 5 22.379 22.914 2.925 1.00 0.00 H new ATOM 0 HA TRP A 5 24.040 21.495 0.933 1.00 0.00 H new ATOM 0 HB2 TRP A 5 22.483 19.544 0.887 1.00 0.00 H new ATOM 0 HB3 TRP A 5 23.350 19.640 2.407 1.00 0.00 H new ATOM 0 HD1 TRP A 5 19.889 20.108 0.890 1.00 0.00 H new ATOM 0 HE1 TRP A 5 18.112 20.289 2.760 1.00 0.00 H new ATOM 0 HE3 TRP A 5 23.006 20.387 4.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 18.089 20.523 5.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 22.086 20.591 7.215 1.00 0.00 H new ATOM 0 HH2 TRP A 5 19.636 20.660 7.580 1.00 0.00 H new ATOM 97 N GLU A 6 21.476 21.454 -0.394 1.00 0.00 N ATOM 98 CA GLU A 6 20.476 22.040 -1.331 1.00 0.00 C ATOM 99 C GLU A 6 19.571 20.932 -1.872 1.00 0.00 C ATOM 100 O GLU A 6 18.468 21.182 -2.315 1.00 0.00 O ATOM 101 CB GLU A 6 21.204 22.716 -2.496 1.00 0.00 C ATOM 102 CG GLU A 6 22.177 21.723 -3.134 1.00 0.00 C ATOM 103 CD GLU A 6 22.941 22.412 -4.266 1.00 0.00 C ATOM 104 OE1 GLU A 6 22.356 23.262 -4.917 1.00 0.00 O ATOM 105 OE2 GLU A 6 24.098 22.077 -4.462 1.00 0.00 O ATOM 0 H GLU A 6 21.654 20.457 -0.517 1.00 0.00 H new ATOM 0 HA GLU A 6 19.872 22.777 -0.802 1.00 0.00 H new ATOM 0 HB2 GLU A 6 20.484 23.063 -3.237 1.00 0.00 H new ATOM 0 HB3 GLU A 6 21.744 23.594 -2.141 1.00 0.00 H new ATOM 0 HG2 GLU A 6 22.875 21.349 -2.385 1.00 0.00 H new ATOM 0 HG3 GLU A 6 21.633 20.861 -3.520 1.00 0.00 H new ATOM 112 N GLU A 7 20.031 19.708 -1.837 1.00 0.00 N ATOM 113 CA GLU A 7 19.203 18.575 -2.345 1.00 0.00 C ATOM 114 C GLU A 7 19.000 18.725 -3.858 1.00 0.00 C ATOM 115 O GLU A 7 19.418 17.890 -4.635 1.00 0.00 O ATOM 116 CB GLU A 7 17.840 18.570 -1.628 1.00 0.00 C ATOM 117 CG GLU A 7 17.240 17.160 -1.653 1.00 0.00 C ATOM 118 CD GLU A 7 17.136 16.672 -3.099 1.00 0.00 C ATOM 119 OE1 GLU A 7 16.113 16.920 -3.716 1.00 0.00 O ATOM 120 OE2 GLU A 7 18.083 16.059 -3.566 1.00 0.00 O ATOM 0 H GLU A 7 20.948 19.444 -1.477 1.00 0.00 H new ATOM 0 HA GLU A 7 19.714 17.633 -2.146 1.00 0.00 H new ATOM 0 HB2 GLU A 7 17.961 18.905 -0.598 1.00 0.00 H new ATOM 0 HB3 GLU A 7 17.162 19.271 -2.114 1.00 0.00 H new ATOM 0 HG2 GLU A 7 17.862 16.479 -1.073 1.00 0.00 H new ATOM 0 HG3 GLU A 7 16.254 17.165 -1.189 1.00 0.00 H new ATOM 127 N LEU A 8 18.361 19.782 -4.280 1.00 0.00 N ATOM 128 CA LEU A 8 18.134 19.981 -5.740 1.00 0.00 C ATOM 129 C LEU A 8 17.619 21.402 -5.988 1.00 0.00 C ATOM 130 O LEU A 8 16.760 21.624 -6.816 1.00 0.00 O ATOM 131 CB LEU A 8 17.100 18.961 -6.240 1.00 0.00 C ATOM 132 CG LEU A 8 17.160 18.850 -7.785 1.00 0.00 C ATOM 133 CD1 LEU A 8 18.232 17.831 -8.208 1.00 0.00 C ATOM 134 CD2 LEU A 8 15.799 18.384 -8.334 1.00 0.00 C ATOM 0 H LEU A 8 17.987 20.515 -3.678 1.00 0.00 H new ATOM 0 HA LEU A 8 19.071 19.839 -6.278 1.00 0.00 H new ATOM 0 HB2 LEU A 8 17.293 17.987 -5.791 1.00 0.00 H new ATOM 0 HB3 LEU A 8 16.100 19.263 -5.929 1.00 0.00 H new ATOM 0 HG LEU A 8 17.408 19.832 -8.187 1.00 0.00 H new ATOM 0 HD11 LEU A 8 18.262 17.765 -9.296 1.00 0.00 H new ATOM 0 HD12 LEU A 8 19.205 18.152 -7.837 1.00 0.00 H new ATOM 0 HD13 LEU A 8 17.989 16.853 -7.791 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.851 18.309 -9.420 1.00 0.00 H new ATOM 0 HD22 LEU A 8 15.552 17.409 -7.914 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.029 19.104 -8.057 1.00 0.00 H new ATOM 146 N ASP A 9 18.144 22.363 -5.275 1.00 0.00 N ATOM 147 CA ASP A 9 17.694 23.774 -5.463 1.00 0.00 C ATOM 148 C ASP A 9 16.175 23.862 -5.272 1.00 0.00 C ATOM 149 O ASP A 9 15.482 22.864 -5.269 1.00 0.00 O ATOM 150 CB ASP A 9 18.063 24.245 -6.873 1.00 0.00 C ATOM 151 CG ASP A 9 17.802 25.747 -6.993 1.00 0.00 C ATOM 152 OD1 ASP A 9 18.054 26.451 -6.028 1.00 0.00 O ATOM 153 OD2 ASP A 9 17.354 26.168 -8.046 1.00 0.00 O ATOM 0 H ASP A 9 18.867 22.231 -4.568 1.00 0.00 H new ATOM 0 HA ASP A 9 18.186 24.411 -4.728 1.00 0.00 H new ATOM 0 HB2 ASP A 9 19.112 24.030 -7.077 1.00 0.00 H new ATOM 0 HB3 ASP A 9 17.476 23.703 -7.614 1.00 0.00 H new ATOM 158 N GLY A 10 15.649 25.050 -5.110 1.00 0.00 N ATOM 159 CA GLY A 10 14.176 25.196 -4.920 1.00 0.00 C ATOM 160 C GLY A 10 13.485 25.229 -6.283 1.00 0.00 C ATOM 161 O GLY A 10 12.408 25.774 -6.431 1.00 0.00 O ATOM 0 H GLY A 10 16.176 25.923 -5.101 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.792 24.367 -4.326 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.959 26.111 -4.369 1.00 0.00 H new ATOM 165 N LEU A 11 14.094 24.651 -7.284 1.00 0.00 N ATOM 166 CA LEU A 11 13.459 24.654 -8.640 1.00 0.00 C ATOM 167 C LEU A 11 12.093 23.969 -8.550 1.00 0.00 C ATOM 168 O LEU A 11 11.071 24.614 -8.421 1.00 0.00 O ATOM 169 CB LEU A 11 14.352 23.907 -9.652 1.00 0.00 C ATOM 170 CG LEU A 11 13.747 23.991 -11.067 1.00 0.00 C ATOM 171 CD1 LEU A 11 13.898 25.412 -11.638 1.00 0.00 C ATOM 172 CD2 LEU A 11 14.477 22.999 -11.980 1.00 0.00 C ATOM 0 H LEU A 11 14.997 24.180 -7.226 1.00 0.00 H new ATOM 0 HA LEU A 11 13.337 25.683 -8.980 1.00 0.00 H new ATOM 0 HB2 LEU A 11 15.353 24.339 -9.651 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.455 22.863 -9.355 1.00 0.00 H new ATOM 0 HG LEU A 11 12.686 23.747 -11.014 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.465 25.450 -12.637 1.00 0.00 H new ATOM 0 HD12 LEU A 11 13.381 26.121 -10.991 1.00 0.00 H new ATOM 0 HD13 LEU A 11 14.955 25.673 -11.691 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.056 23.051 -12.984 1.00 0.00 H new ATOM 0 HD22 LEU A 11 15.537 23.251 -12.017 1.00 0.00 H new ATOM 0 HD23 LEU A 11 14.358 21.989 -11.588 1.00 0.00 H new ATOM 184 N ASP A 12 12.066 22.666 -8.618 1.00 0.00 N ATOM 185 CA ASP A 12 10.766 21.941 -8.539 1.00 0.00 C ATOM 186 C ASP A 12 11.027 20.432 -8.418 1.00 0.00 C ATOM 187 O ASP A 12 10.736 19.689 -9.334 1.00 0.00 O ATOM 188 CB ASP A 12 9.960 22.212 -9.811 1.00 0.00 C ATOM 189 CG ASP A 12 8.606 21.506 -9.719 1.00 0.00 C ATOM 190 OD1 ASP A 12 7.716 22.054 -9.089 1.00 0.00 O ATOM 191 OD2 ASP A 12 8.482 20.428 -10.278 1.00 0.00 O ATOM 0 H ASP A 12 12.888 22.072 -8.725 1.00 0.00 H new ATOM 0 HA ASP A 12 10.209 22.286 -7.668 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.815 23.284 -9.940 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.508 21.857 -10.684 1.00 0.00 H new ATOM 196 N PRO A 13 11.574 20.013 -7.294 1.00 0.00 N ATOM 197 CA PRO A 13 11.877 18.587 -7.070 1.00 0.00 C ATOM 198 C PRO A 13 10.575 17.769 -7.076 1.00 0.00 C ATOM 199 O PRO A 13 10.494 16.727 -7.695 1.00 0.00 O ATOM 200 CB PRO A 13 12.574 18.540 -5.688 1.00 0.00 C ATOM 201 CG PRO A 13 12.604 19.993 -5.127 1.00 0.00 C ATOM 202 CD PRO A 13 11.932 20.911 -6.173 1.00 0.00 C ATOM 0 HA PRO A 13 12.512 18.161 -7.847 1.00 0.00 H new ATOM 0 HB2 PRO A 13 12.035 17.878 -5.010 1.00 0.00 H new ATOM 0 HB3 PRO A 13 13.585 18.145 -5.782 1.00 0.00 H new ATOM 0 HG2 PRO A 13 12.076 20.047 -4.175 1.00 0.00 H new ATOM 0 HG3 PRO A 13 13.630 20.311 -4.941 1.00 0.00 H new ATOM 0 HD2 PRO A 13 11.049 21.400 -5.761 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.610 21.700 -6.500 1.00 0.00 H new ATOM 210 N ASN A 14 9.561 18.242 -6.396 1.00 0.00 N ATOM 211 CA ASN A 14 8.263 17.511 -6.353 1.00 0.00 C ATOM 212 C ASN A 14 8.506 16.006 -6.192 1.00 0.00 C ATOM 213 O ASN A 14 8.245 15.225 -7.085 1.00 0.00 O ATOM 214 CB ASN A 14 7.505 17.783 -7.645 1.00 0.00 C ATOM 215 CG ASN A 14 6.071 17.263 -7.520 1.00 0.00 C ATOM 216 OD1 ASN A 14 5.784 16.438 -6.676 1.00 0.00 O ATOM 217 ND2 ASN A 14 5.154 17.714 -8.332 1.00 0.00 N ATOM 0 H ASN A 14 9.580 19.112 -5.864 1.00 0.00 H new ATOM 0 HA ASN A 14 7.677 17.856 -5.501 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.497 18.852 -7.855 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.007 17.297 -8.482 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.195 17.374 -8.258 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.396 18.407 -9.040 1.00 0.00 H new ATOM 224 N ARG A 15 9.004 15.597 -5.057 1.00 0.00 N ATOM 225 CA ARG A 15 9.266 14.148 -4.835 1.00 0.00 C ATOM 226 C ARG A 15 7.940 13.384 -4.837 1.00 0.00 C ATOM 227 O ARG A 15 7.118 13.545 -3.957 1.00 0.00 O ATOM 228 CB ARG A 15 9.965 13.958 -3.487 1.00 0.00 C ATOM 229 CG ARG A 15 11.348 14.610 -3.533 1.00 0.00 C ATOM 230 CD ARG A 15 12.108 14.289 -2.244 1.00 0.00 C ATOM 231 NE ARG A 15 12.410 12.831 -2.195 1.00 0.00 N ATOM 232 CZ ARG A 15 13.298 12.377 -1.354 1.00 0.00 C ATOM 233 NH1 ARG A 15 13.923 13.200 -0.558 1.00 0.00 N ATOM 234 NH2 ARG A 15 13.562 11.099 -1.311 1.00 0.00 N ATOM 0 H ARG A 15 9.241 16.205 -4.273 1.00 0.00 H new ATOM 0 HA ARG A 15 9.905 13.767 -5.632 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.368 14.402 -2.690 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.059 12.896 -3.261 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.905 14.245 -4.396 1.00 0.00 H new ATOM 0 HG3 ARG A 15 11.249 15.689 -3.650 1.00 0.00 H new ATOM 0 HD2 ARG A 15 13.033 14.864 -2.202 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.513 14.577 -1.377 1.00 0.00 H new ATOM 0 HE ARG A 15 11.923 12.188 -2.819 1.00 0.00 H new ATOM 0 HH11 ARG A 15 13.717 14.198 -0.593 1.00 0.00 H new ATOM 0 HH12 ARG A 15 14.617 12.845 0.100 1.00 0.00 H new ATOM 0 HH21 ARG A 15 13.074 10.456 -1.935 1.00 0.00 H new ATOM 0 HH22 ARG A 15 14.256 10.743 -0.654 1.00 0.00 H new ATOM 248 N PHE A 16 7.728 12.552 -5.819 1.00 0.00 N ATOM 249 CA PHE A 16 6.459 11.775 -5.883 1.00 0.00 C ATOM 250 C PHE A 16 6.591 10.680 -6.944 1.00 0.00 C ATOM 251 O PHE A 16 6.813 10.955 -8.106 1.00 0.00 O ATOM 252 CB PHE A 16 5.307 12.713 -6.253 1.00 0.00 C ATOM 253 CG PHE A 16 3.988 12.018 -6.001 1.00 0.00 C ATOM 254 CD1 PHE A 16 3.492 11.911 -4.696 1.00 0.00 C ATOM 255 CD2 PHE A 16 3.262 11.482 -7.072 1.00 0.00 C ATOM 256 CE1 PHE A 16 2.270 11.270 -4.462 1.00 0.00 C ATOM 257 CE2 PHE A 16 2.041 10.840 -6.838 1.00 0.00 C ATOM 258 CZ PHE A 16 1.545 10.734 -5.533 1.00 0.00 C ATOM 0 H PHE A 16 8.381 12.376 -6.582 1.00 0.00 H new ATOM 0 HA PHE A 16 6.257 11.320 -4.913 1.00 0.00 H new ATOM 0 HB2 PHE A 16 5.366 13.628 -5.664 1.00 0.00 H new ATOM 0 HB3 PHE A 16 5.383 13.003 -7.301 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.052 12.323 -3.870 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.645 11.564 -8.079 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.887 11.189 -3.456 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.481 10.426 -7.664 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.603 10.238 -5.352 1.00 0.00 H new ATOM 268 N ASN A 17 6.462 9.441 -6.555 1.00 0.00 N ATOM 269 CA ASN A 17 6.589 8.336 -7.546 1.00 0.00 C ATOM 270 C ASN A 17 5.990 7.042 -6.965 1.00 0.00 C ATOM 271 O ASN A 17 6.723 6.144 -6.604 1.00 0.00 O ATOM 272 CB ASN A 17 8.071 8.107 -7.855 1.00 0.00 C ATOM 273 CG ASN A 17 8.204 7.112 -9.009 1.00 0.00 C ATOM 274 OD1 ASN A 17 8.975 6.177 -8.934 1.00 0.00 O ATOM 275 ND2 ASN A 17 7.478 7.274 -10.082 1.00 0.00 N ATOM 0 H ASN A 17 6.275 9.147 -5.596 1.00 0.00 H new ATOM 0 HA ASN A 17 6.054 8.605 -8.457 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.549 9.051 -8.118 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.583 7.726 -6.971 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.559 6.615 -10.857 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.830 8.059 -10.146 1.00 0.00 H new ATOM 282 N PRO A 18 4.675 6.978 -6.883 1.00 0.00 N ATOM 283 CA PRO A 18 3.991 5.786 -6.335 1.00 0.00 C ATOM 284 C PRO A 18 4.360 4.536 -7.151 1.00 0.00 C ATOM 285 O PRO A 18 4.152 3.418 -6.724 1.00 0.00 O ATOM 286 CB PRO A 18 2.481 6.114 -6.442 1.00 0.00 C ATOM 287 CG PRO A 18 2.360 7.589 -6.924 1.00 0.00 C ATOM 288 CD PRO A 18 3.774 8.067 -7.318 1.00 0.00 C ATOM 0 HA PRO A 18 4.280 5.569 -5.307 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.990 5.439 -7.143 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.990 5.984 -5.477 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.681 7.660 -7.774 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.949 8.218 -6.134 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.849 8.237 -8.392 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.025 9.008 -6.828 1.00 0.00 H new ATOM 296 N LYS A 19 4.906 4.725 -8.318 1.00 0.00 N ATOM 297 CA LYS A 19 5.293 3.565 -9.169 1.00 0.00 C ATOM 298 C LYS A 19 6.270 2.647 -8.427 1.00 0.00 C ATOM 299 O LYS A 19 6.238 1.442 -8.588 1.00 0.00 O ATOM 300 CB LYS A 19 5.966 4.080 -10.447 1.00 0.00 C ATOM 301 CG LYS A 19 6.313 2.891 -11.364 1.00 0.00 C ATOM 302 CD LYS A 19 6.405 3.363 -12.819 1.00 0.00 C ATOM 303 CE LYS A 19 6.995 2.244 -13.679 1.00 0.00 C ATOM 304 NZ LYS A 19 7.037 2.681 -15.103 1.00 0.00 N ATOM 0 H LYS A 19 5.103 5.640 -8.723 1.00 0.00 H new ATOM 0 HA LYS A 19 4.395 2.998 -9.413 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.302 4.771 -10.966 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.870 4.634 -10.196 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.260 2.447 -11.056 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.553 2.115 -11.272 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.416 3.637 -13.187 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.028 4.255 -12.885 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.999 1.996 -13.334 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.393 1.341 -13.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.438 1.920 -15.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.073 2.896 -15.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.629 3.532 -15.188 1.00 0.00 H new ATOM 318 N THR A 20 7.156 3.189 -7.631 1.00 0.00 N ATOM 319 CA THR A 20 8.127 2.320 -6.923 1.00 0.00 C ATOM 320 C THR A 20 7.411 1.503 -5.841 1.00 0.00 C ATOM 321 O THR A 20 7.698 0.339 -5.644 1.00 0.00 O ATOM 322 CB THR A 20 9.224 3.186 -6.299 1.00 0.00 C ATOM 323 OG1 THR A 20 10.000 3.787 -7.325 1.00 0.00 O ATOM 324 CG2 THR A 20 10.117 2.312 -5.426 1.00 0.00 C ATOM 0 H THR A 20 7.244 4.188 -7.445 1.00 0.00 H new ATOM 0 HA THR A 20 8.580 1.628 -7.634 1.00 0.00 H new ATOM 0 HB THR A 20 8.770 3.968 -5.690 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.500 4.531 -7.720 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.900 2.924 -4.979 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.519 1.855 -4.637 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.571 1.531 -6.036 1.00 0.00 H new ATOM 332 N PHE A 21 6.483 2.094 -5.143 1.00 0.00 N ATOM 333 CA PHE A 21 5.759 1.334 -4.085 1.00 0.00 C ATOM 334 C PHE A 21 5.139 0.085 -4.734 1.00 0.00 C ATOM 335 O PHE A 21 5.293 -1.021 -4.256 1.00 0.00 O ATOM 336 CB PHE A 21 4.670 2.256 -3.457 1.00 0.00 C ATOM 337 CG PHE A 21 3.326 1.556 -3.374 1.00 0.00 C ATOM 338 CD1 PHE A 21 2.441 1.618 -4.456 1.00 0.00 C ATOM 339 CD2 PHE A 21 2.975 0.840 -2.223 1.00 0.00 C ATOM 340 CE1 PHE A 21 1.206 0.966 -4.390 1.00 0.00 C ATOM 341 CE2 PHE A 21 1.736 0.189 -2.155 1.00 0.00 C ATOM 342 CZ PHE A 21 0.852 0.252 -3.239 1.00 0.00 C ATOM 0 H PHE A 21 6.195 3.066 -5.258 1.00 0.00 H new ATOM 0 HA PHE A 21 6.432 1.018 -3.288 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.983 2.563 -2.459 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.572 3.163 -4.053 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.712 2.170 -5.344 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.659 0.790 -1.388 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.525 1.013 -5.227 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.463 -0.361 -1.267 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.103 -0.250 -3.187 1.00 0.00 H new ATOM 352 N PHE A 22 4.437 0.268 -5.816 1.00 0.00 N ATOM 353 CA PHE A 22 3.798 -0.888 -6.504 1.00 0.00 C ATOM 354 C PHE A 22 4.841 -1.969 -6.814 1.00 0.00 C ATOM 355 O PHE A 22 4.558 -3.154 -6.764 1.00 0.00 O ATOM 356 CB PHE A 22 3.161 -0.400 -7.811 1.00 0.00 C ATOM 357 CG PHE A 22 2.287 -1.494 -8.372 1.00 0.00 C ATOM 358 CD1 PHE A 22 2.836 -2.466 -9.217 1.00 0.00 C ATOM 359 CD2 PHE A 22 0.929 -1.540 -8.038 1.00 0.00 C ATOM 360 CE1 PHE A 22 2.025 -3.483 -9.731 1.00 0.00 C ATOM 361 CE2 PHE A 22 0.118 -2.556 -8.552 1.00 0.00 C ATOM 362 CZ PHE A 22 0.665 -3.528 -9.398 1.00 0.00 C ATOM 0 H PHE A 22 4.277 1.174 -6.256 1.00 0.00 H new ATOM 0 HA PHE A 22 3.036 -1.316 -5.853 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.570 0.498 -7.629 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.935 -0.132 -8.530 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.885 -2.431 -9.472 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.508 -0.791 -7.384 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.447 -4.233 -10.384 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.931 -2.591 -8.296 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.038 -4.313 -9.794 1.00 0.00 H new ATOM 372 N ILE A 23 6.050 -1.584 -7.133 1.00 0.00 N ATOM 373 CA ILE A 23 7.082 -2.597 -7.445 1.00 0.00 C ATOM 374 C ILE A 23 7.527 -3.268 -6.148 1.00 0.00 C ATOM 375 O ILE A 23 7.356 -4.454 -5.970 1.00 0.00 O ATOM 376 CB ILE A 23 8.260 -1.901 -8.122 1.00 0.00 C ATOM 377 CG1 ILE A 23 7.793 -1.338 -9.468 1.00 0.00 C ATOM 378 CG2 ILE A 23 9.384 -2.907 -8.345 1.00 0.00 C ATOM 379 CD1 ILE A 23 8.883 -0.456 -10.077 1.00 0.00 C ATOM 0 H ILE A 23 6.359 -0.614 -7.189 1.00 0.00 H new ATOM 0 HA ILE A 23 6.685 -3.359 -8.116 1.00 0.00 H new ATOM 0 HB ILE A 23 8.628 -1.091 -7.492 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.553 -2.155 -10.149 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.880 -0.758 -9.331 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.226 -2.411 -8.828 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.704 -3.313 -7.386 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.026 -3.717 -8.981 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.540 -0.062 -11.033 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.102 0.371 -9.401 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.786 -1.047 -10.231 1.00 0.00 H new ATOM 391 N LEU A 24 8.085 -2.526 -5.235 1.00 0.00 N ATOM 392 CA LEU A 24 8.523 -3.148 -3.953 1.00 0.00 C ATOM 393 C LEU A 24 7.420 -4.074 -3.383 1.00 0.00 C ATOM 394 O LEU A 24 7.675 -4.845 -2.480 1.00 0.00 O ATOM 395 CB LEU A 24 8.844 -2.040 -2.936 1.00 0.00 C ATOM 396 CG LEU A 24 9.787 -2.577 -1.835 1.00 0.00 C ATOM 397 CD1 LEU A 24 11.251 -2.475 -2.288 1.00 0.00 C ATOM 398 CD2 LEU A 24 9.612 -1.755 -0.551 1.00 0.00 C ATOM 0 H LEU A 24 8.257 -1.524 -5.318 1.00 0.00 H new ATOM 0 HA LEU A 24 9.412 -3.750 -4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.311 -1.196 -3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.922 -1.672 -2.486 1.00 0.00 H new ATOM 0 HG LEU A 24 9.535 -3.621 -1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.903 -2.857 -1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.393 -3.063 -3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 24 11.498 -1.433 -2.489 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.279 -2.139 0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.852 -0.711 -0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.580 -1.831 -0.208 1.00 0.00 H new ATOM 410 N HIS A 25 6.201 -4.016 -3.893 1.00 0.00 N ATOM 411 CA HIS A 25 5.111 -4.902 -3.362 1.00 0.00 C ATOM 412 C HIS A 25 4.876 -6.083 -4.315 1.00 0.00 C ATOM 413 O HIS A 25 4.263 -7.066 -3.952 1.00 0.00 O ATOM 414 CB HIS A 25 3.812 -4.096 -3.235 1.00 0.00 C ATOM 415 CG HIS A 25 2.786 -4.915 -2.502 1.00 0.00 C ATOM 416 ND1 HIS A 25 3.049 -6.198 -2.048 1.00 0.00 N ATOM 417 CD2 HIS A 25 1.488 -4.649 -2.139 1.00 0.00 C ATOM 418 CE1 HIS A 25 1.935 -6.651 -1.444 1.00 0.00 C ATOM 419 NE2 HIS A 25 0.954 -5.745 -1.472 1.00 0.00 N ATOM 0 H HIS A 25 5.920 -3.394 -4.651 1.00 0.00 H new ATOM 0 HA HIS A 25 5.411 -5.282 -2.385 1.00 0.00 H new ATOM 0 HB2 HIS A 25 4.000 -3.165 -2.700 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.440 -3.827 -4.224 1.00 0.00 H new ATOM 0 HD1 HIS A 25 3.927 -6.706 -2.153 1.00 0.00 H new ATOM 0 HD2 HIS A 25 0.962 -3.728 -2.341 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.845 -7.628 -0.992 1.00 0.00 H new ATOM 427 N ASP A 26 5.364 -6.007 -5.527 1.00 0.00 N ATOM 428 CA ASP A 26 5.162 -7.146 -6.475 1.00 0.00 C ATOM 429 C ASP A 26 6.105 -8.300 -6.094 1.00 0.00 C ATOM 430 O ASP A 26 7.057 -8.608 -6.785 1.00 0.00 O ATOM 431 CB ASP A 26 5.434 -6.678 -7.910 1.00 0.00 C ATOM 432 CG ASP A 26 6.892 -6.226 -8.065 1.00 0.00 C ATOM 433 OD1 ASP A 26 7.661 -6.424 -7.142 1.00 0.00 O ATOM 434 OD2 ASP A 26 7.211 -5.685 -9.110 1.00 0.00 O ATOM 0 H ASP A 26 5.888 -5.215 -5.899 1.00 0.00 H new ATOM 0 HA ASP A 26 4.132 -7.498 -6.415 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.223 -7.488 -8.608 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.764 -5.856 -8.163 1.00 0.00 H new ATOM 439 N ILE A 27 5.837 -8.936 -4.988 1.00 0.00 N ATOM 440 CA ILE A 27 6.693 -10.059 -4.518 1.00 0.00 C ATOM 441 C ILE A 27 6.922 -11.080 -5.641 1.00 0.00 C ATOM 442 O ILE A 27 8.043 -11.443 -5.932 1.00 0.00 O ATOM 443 CB ILE A 27 5.995 -10.733 -3.334 1.00 0.00 C ATOM 444 CG1 ILE A 27 5.682 -9.691 -2.251 1.00 0.00 C ATOM 445 CG2 ILE A 27 6.893 -11.806 -2.734 1.00 0.00 C ATOM 446 CD1 ILE A 27 4.846 -10.341 -1.145 1.00 0.00 C ATOM 0 H ILE A 27 5.047 -8.720 -4.380 1.00 0.00 H new ATOM 0 HA ILE A 27 7.666 -9.672 -4.216 1.00 0.00 H new ATOM 0 HB ILE A 27 5.071 -11.188 -3.692 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.608 -9.293 -1.836 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.140 -8.851 -2.685 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.385 -12.277 -1.893 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.117 -12.558 -3.491 1.00 0.00 H new ATOM 0 HG23 ILE A 27 7.822 -11.352 -2.388 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.623 -9.602 -0.375 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.914 -10.718 -1.567 1.00 0.00 H new ATOM 0 HD13 ILE A 27 5.405 -11.167 -0.704 1.00 0.00 H new ATOM 458 N ASN A 28 5.881 -11.561 -6.267 1.00 0.00 N ATOM 459 CA ASN A 28 6.071 -12.571 -7.357 1.00 0.00 C ATOM 460 C ASN A 28 6.282 -11.871 -8.701 1.00 0.00 C ATOM 461 O ASN A 28 6.225 -12.494 -9.743 1.00 0.00 O ATOM 462 CB ASN A 28 4.847 -13.482 -7.439 1.00 0.00 C ATOM 463 CG ASN A 28 4.556 -14.077 -6.058 1.00 0.00 C ATOM 464 OD1 ASN A 28 5.381 -13.847 -5.069 1.00 0.00 O flip ATOM 465 ND2 ASN A 28 3.568 -14.760 -5.875 1.00 0.00 N flip ATOM 0 H ASN A 28 4.913 -11.303 -6.075 1.00 0.00 H new ATOM 0 HA ASN A 28 6.953 -13.169 -7.129 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.984 -12.918 -7.792 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.023 -14.280 -8.160 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.923 -14.941 -6.644 1.00 0.00 H new ATOM 0 HD22 ASN A 28 3.383 -15.153 -4.952 1.00 0.00 H new ATOM 472 N SER A 29 6.555 -10.592 -8.690 1.00 0.00 N ATOM 473 CA SER A 29 6.804 -9.859 -9.970 1.00 0.00 C ATOM 474 C SER A 29 5.813 -10.308 -11.051 1.00 0.00 C ATOM 475 O SER A 29 6.189 -10.604 -12.168 1.00 0.00 O ATOM 476 CB SER A 29 8.227 -10.138 -10.435 1.00 0.00 C ATOM 477 OG SER A 29 8.359 -9.786 -11.806 1.00 0.00 O ATOM 0 H SER A 29 6.617 -10.021 -7.847 1.00 0.00 H new ATOM 0 HA SER A 29 6.669 -8.791 -9.799 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.935 -9.568 -9.833 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.466 -11.192 -10.295 1.00 0.00 H new ATOM 0 HG SER A 29 7.788 -10.368 -12.350 1.00 0.00 H new ATOM 483 N ASP A 30 4.548 -10.356 -10.734 1.00 0.00 N ATOM 484 CA ASP A 30 3.535 -10.778 -11.746 1.00 0.00 C ATOM 485 C ASP A 30 2.990 -9.534 -12.448 1.00 0.00 C ATOM 486 O ASP A 30 2.133 -9.614 -13.305 1.00 0.00 O ATOM 487 CB ASP A 30 2.390 -11.509 -11.043 1.00 0.00 C ATOM 488 CG ASP A 30 1.401 -12.034 -12.086 1.00 0.00 C ATOM 489 OD1 ASP A 30 1.677 -13.071 -12.667 1.00 0.00 O ATOM 490 OD2 ASP A 30 0.384 -11.390 -12.285 1.00 0.00 O ATOM 0 H ASP A 30 4.170 -10.121 -9.816 1.00 0.00 H new ATOM 0 HA ASP A 30 3.994 -11.444 -12.477 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.782 -12.335 -10.450 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.883 -10.834 -10.353 1.00 0.00 H new ATOM 495 N GLY A 31 3.481 -8.383 -12.079 1.00 0.00 N ATOM 496 CA GLY A 31 2.998 -7.125 -12.707 1.00 0.00 C ATOM 497 C GLY A 31 1.612 -6.788 -12.163 1.00 0.00 C ATOM 498 O GLY A 31 1.030 -5.781 -12.519 1.00 0.00 O ATOM 0 H GLY A 31 4.200 -8.261 -11.366 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.691 -6.311 -12.497 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.958 -7.238 -13.790 1.00 0.00 H new ATOM 502 N VAL A 32 1.085 -7.609 -11.283 1.00 0.00 N ATOM 503 CA VAL A 32 -0.261 -7.324 -10.688 1.00 0.00 C ATOM 504 C VAL A 32 -0.199 -7.586 -9.178 1.00 0.00 C ATOM 505 O VAL A 32 0.711 -8.226 -8.689 1.00 0.00 O ATOM 506 CB VAL A 32 -1.342 -8.212 -11.354 1.00 0.00 C ATOM 507 CG1 VAL A 32 -0.966 -8.457 -12.816 1.00 0.00 C ATOM 508 CG2 VAL A 32 -1.485 -9.559 -10.624 1.00 0.00 C ATOM 0 H VAL A 32 1.530 -8.465 -10.951 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.529 -6.282 -10.864 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.298 -7.692 -11.296 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.725 -9.082 -13.287 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.904 -7.503 -13.340 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.001 -8.961 -12.864 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.251 -10.159 -11.115 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.534 -10.091 -10.652 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.772 -9.382 -9.587 1.00 0.00 H new ATOM 518 N LEU A 33 -1.181 -7.133 -8.452 1.00 0.00 N ATOM 519 CA LEU A 33 -1.217 -7.389 -6.965 1.00 0.00 C ATOM 520 C LEU A 33 -2.294 -8.455 -6.707 1.00 0.00 C ATOM 521 O LEU A 33 -3.460 -8.264 -6.989 1.00 0.00 O ATOM 522 CB LEU A 33 -1.525 -6.081 -6.163 1.00 0.00 C ATOM 523 CG LEU A 33 -0.595 -5.951 -4.938 1.00 0.00 C ATOM 524 CD1 LEU A 33 -0.741 -7.183 -4.025 1.00 0.00 C ATOM 525 CD2 LEU A 33 0.878 -5.795 -5.391 1.00 0.00 C ATOM 0 H LEU A 33 -1.967 -6.594 -8.815 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.242 -7.737 -6.625 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.400 -5.214 -6.812 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.565 -6.087 -5.836 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.883 -5.061 -4.378 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.080 -7.079 -3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.773 -7.262 -3.682 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.474 -8.082 -4.581 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.520 -5.705 -4.515 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.175 -6.669 -5.970 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.977 -4.901 -6.007 1.00 0.00 H new ATOM 537 N ASP A 34 -1.889 -9.594 -6.198 1.00 0.00 N ATOM 538 CA ASP A 34 -2.859 -10.711 -5.943 1.00 0.00 C ATOM 539 C ASP A 34 -3.431 -10.608 -4.521 1.00 0.00 C ATOM 540 O ASP A 34 -2.924 -9.888 -3.683 1.00 0.00 O ATOM 541 CB ASP A 34 -2.140 -12.066 -6.128 1.00 0.00 C ATOM 542 CG ASP A 34 -1.051 -11.925 -7.193 1.00 0.00 C ATOM 543 OD1 ASP A 34 -1.238 -11.135 -8.103 1.00 0.00 O ATOM 544 OD2 ASP A 34 -0.048 -12.611 -7.079 1.00 0.00 O ATOM 0 H ASP A 34 -0.922 -9.801 -5.946 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.683 -10.638 -6.652 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.701 -12.388 -5.184 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -2.856 -12.832 -6.424 1.00 0.00 H new ATOM 549 N GLU A 35 -4.496 -11.321 -4.257 1.00 0.00 N ATOM 550 CA GLU A 35 -5.137 -11.281 -2.914 1.00 0.00 C ATOM 551 C GLU A 35 -4.309 -12.073 -1.891 1.00 0.00 C ATOM 552 O GLU A 35 -4.168 -11.660 -0.757 1.00 0.00 O ATOM 553 CB GLU A 35 -6.544 -11.873 -3.027 1.00 0.00 C ATOM 554 CG GLU A 35 -7.259 -11.817 -1.676 1.00 0.00 C ATOM 555 CD GLU A 35 -7.418 -10.361 -1.234 1.00 0.00 C ATOM 556 OE1 GLU A 35 -8.270 -9.685 -1.786 1.00 0.00 O ATOM 557 OE2 GLU A 35 -6.685 -9.948 -0.351 1.00 0.00 O ATOM 0 H GLU A 35 -4.953 -11.938 -4.928 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.193 -10.248 -2.570 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.118 -11.322 -3.772 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.484 -12.906 -3.371 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.237 -12.293 -1.752 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.691 -12.373 -0.930 1.00 0.00 H new ATOM 564 N GLN A 36 -3.766 -13.198 -2.261 1.00 0.00 N ATOM 565 CA GLN A 36 -2.966 -13.976 -1.277 1.00 0.00 C ATOM 566 C GLN A 36 -1.758 -13.142 -0.862 1.00 0.00 C ATOM 567 O GLN A 36 -1.218 -13.302 0.216 1.00 0.00 O ATOM 568 CB GLN A 36 -2.526 -15.317 -1.891 1.00 0.00 C ATOM 569 CG GLN A 36 -1.551 -15.090 -3.062 1.00 0.00 C ATOM 570 CD GLN A 36 -0.107 -14.968 -2.552 1.00 0.00 C ATOM 571 OE1 GLN A 36 0.134 -14.951 -1.268 1.00 0.00 O flip ATOM 572 NE2 GLN A 36 0.817 -14.890 -3.338 1.00 0.00 N flip ATOM 0 H GLN A 36 -3.840 -13.609 -3.192 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.569 -14.198 -0.397 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -2.048 -15.932 -1.128 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -3.400 -15.866 -2.241 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.624 -15.918 -3.768 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.829 -14.185 -3.602 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.635 -14.903 -4.342 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.774 -14.812 -2.994 1.00 0.00 H new ATOM 581 N GLU A 37 -1.344 -12.226 -1.699 1.00 0.00 N ATOM 582 CA GLU A 37 -0.182 -11.356 -1.337 1.00 0.00 C ATOM 583 C GLU A 37 -0.709 -10.180 -0.503 1.00 0.00 C ATOM 584 O GLU A 37 -0.056 -9.699 0.403 1.00 0.00 O ATOM 585 CB GLU A 37 0.514 -10.852 -2.610 1.00 0.00 C ATOM 586 CG GLU A 37 1.100 -12.043 -3.371 1.00 0.00 C ATOM 587 CD GLU A 37 1.982 -11.535 -4.513 1.00 0.00 C ATOM 588 OE1 GLU A 37 2.519 -10.448 -4.382 1.00 0.00 O ATOM 589 OE2 GLU A 37 2.105 -12.243 -5.500 1.00 0.00 O ATOM 0 H GLU A 37 -1.757 -12.042 -2.613 1.00 0.00 H new ATOM 0 HA GLU A 37 0.550 -11.919 -0.758 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.197 -10.318 -3.240 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.304 -10.147 -2.352 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.685 -12.667 -2.696 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.298 -12.666 -3.766 1.00 0.00 H new ATOM 596 N LEU A 38 -1.908 -9.746 -0.791 1.00 0.00 N ATOM 597 CA LEU A 38 -2.538 -8.634 -0.019 1.00 0.00 C ATOM 598 C LEU A 38 -3.008 -9.181 1.333 1.00 0.00 C ATOM 599 O LEU A 38 -2.997 -8.486 2.329 1.00 0.00 O ATOM 600 CB LEU A 38 -3.753 -8.116 -0.822 1.00 0.00 C ATOM 601 CG LEU A 38 -4.246 -6.727 -0.313 1.00 0.00 C ATOM 602 CD1 LEU A 38 -3.533 -5.583 -1.058 1.00 0.00 C ATOM 603 CD2 LEU A 38 -5.757 -6.581 -0.565 1.00 0.00 C ATOM 0 H LEU A 38 -2.487 -10.122 -1.542 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.828 -7.823 0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.485 -8.041 -1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.567 -8.837 -0.751 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.024 -6.669 0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.894 -4.625 -0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.458 -5.655 -0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.741 -5.658 -2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.093 -5.608 -0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.957 -6.663 -1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.292 -7.368 -0.034 1.00 0.00 H new ATOM 615 N GLU A 39 -3.406 -10.421 1.385 1.00 0.00 N ATOM 616 CA GLU A 39 -3.855 -10.999 2.673 1.00 0.00 C ATOM 617 C GLU A 39 -2.654 -11.100 3.623 1.00 0.00 C ATOM 618 O GLU A 39 -2.758 -10.820 4.800 1.00 0.00 O ATOM 619 CB GLU A 39 -4.427 -12.393 2.422 1.00 0.00 C ATOM 620 CG GLU A 39 -5.160 -12.868 3.672 1.00 0.00 C ATOM 621 CD GLU A 39 -5.744 -14.260 3.426 1.00 0.00 C ATOM 622 OE1 GLU A 39 -6.201 -14.502 2.321 1.00 0.00 O ATOM 623 OE2 GLU A 39 -5.724 -15.060 4.347 1.00 0.00 O ATOM 0 H GLU A 39 -3.438 -11.057 0.588 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.621 -10.365 3.120 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.109 -12.371 1.572 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.626 -13.088 2.170 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.475 -12.894 4.520 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.956 -12.168 3.927 1.00 0.00 H new ATOM 630 N ALA A 40 -1.518 -11.506 3.120 1.00 0.00 N ATOM 631 CA ALA A 40 -0.312 -11.636 3.991 1.00 0.00 C ATOM 632 C ALA A 40 0.252 -10.256 4.348 1.00 0.00 C ATOM 633 O ALA A 40 0.590 -9.988 5.485 1.00 0.00 O ATOM 634 CB ALA A 40 0.755 -12.438 3.258 1.00 0.00 C ATOM 0 H ALA A 40 -1.373 -11.754 2.141 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.601 -12.145 4.911 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.637 -12.535 3.891 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.367 -13.429 3.022 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.026 -11.925 2.335 1.00 0.00 H new ATOM 640 N LEU A 41 0.367 -9.383 3.386 1.00 0.00 N ATOM 641 CA LEU A 41 0.921 -8.027 3.671 1.00 0.00 C ATOM 642 C LEU A 41 0.071 -7.339 4.747 1.00 0.00 C ATOM 643 O LEU A 41 0.527 -6.441 5.427 1.00 0.00 O ATOM 644 CB LEU A 41 0.932 -7.187 2.382 1.00 0.00 C ATOM 645 CG LEU A 41 1.368 -5.744 2.685 1.00 0.00 C ATOM 646 CD1 LEU A 41 2.734 -5.739 3.386 1.00 0.00 C ATOM 647 CD2 LEU A 41 1.466 -4.967 1.368 1.00 0.00 C ATOM 0 H LEU A 41 0.102 -9.548 2.415 1.00 0.00 H new ATOM 0 HA LEU A 41 1.944 -8.122 4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.611 -7.634 1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.061 -7.187 1.932 1.00 0.00 H new ATOM 0 HG LEU A 41 0.635 -5.276 3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.032 -4.712 3.595 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.665 -6.294 4.321 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.476 -6.207 2.740 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.775 -3.942 1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.199 -5.444 0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.494 -4.962 0.875 1.00 0.00 H new ATOM 659 N PHE A 42 -1.165 -7.741 4.903 1.00 0.00 N ATOM 660 CA PHE A 42 -2.031 -7.080 5.938 1.00 0.00 C ATOM 661 C PHE A 42 -1.696 -7.664 7.320 1.00 0.00 C ATOM 662 O PHE A 42 -1.444 -6.943 8.266 1.00 0.00 O ATOM 663 CB PHE A 42 -3.542 -7.300 5.612 1.00 0.00 C ATOM 664 CG PHE A 42 -4.220 -5.978 5.263 1.00 0.00 C ATOM 665 CD1 PHE A 42 -3.644 -5.123 4.310 1.00 0.00 C ATOM 666 CD2 PHE A 42 -5.424 -5.609 5.890 1.00 0.00 C ATOM 667 CE1 PHE A 42 -4.266 -3.912 3.986 1.00 0.00 C ATOM 668 CE2 PHE A 42 -6.041 -4.396 5.562 1.00 0.00 C ATOM 669 CZ PHE A 42 -5.462 -3.549 4.611 1.00 0.00 C ATOM 0 H PHE A 42 -1.611 -8.487 4.369 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.837 -6.007 5.936 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -3.641 -7.996 4.779 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -4.041 -7.755 6.468 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.719 -5.400 3.826 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.872 -6.262 6.624 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.821 -3.257 3.252 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.965 -4.114 6.044 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.940 -2.614 4.360 1.00 0.00 H new ATOM 679 N THR A 43 -1.695 -8.963 7.443 1.00 0.00 N ATOM 680 CA THR A 43 -1.385 -9.586 8.761 1.00 0.00 C ATOM 681 C THR A 43 0.050 -9.247 9.176 1.00 0.00 C ATOM 682 O THR A 43 0.348 -9.093 10.344 1.00 0.00 O ATOM 683 CB THR A 43 -1.546 -11.106 8.648 1.00 0.00 C ATOM 684 OG1 THR A 43 -2.919 -11.418 8.457 1.00 0.00 O ATOM 685 CG2 THR A 43 -1.044 -11.780 9.928 1.00 0.00 C ATOM 0 H THR A 43 -1.895 -9.620 6.689 1.00 0.00 H new ATOM 0 HA THR A 43 -2.070 -9.199 9.515 1.00 0.00 H new ATOM 0 HB THR A 43 -0.963 -11.469 7.801 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.026 -12.389 8.382 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.162 -12.860 9.841 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.009 -11.540 10.077 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.622 -11.420 10.779 1.00 0.00 H new ATOM 693 N LYS A 44 0.946 -9.148 8.233 1.00 0.00 N ATOM 694 CA LYS A 44 2.361 -8.842 8.582 1.00 0.00 C ATOM 695 C LYS A 44 2.509 -7.372 8.981 1.00 0.00 C ATOM 696 O LYS A 44 3.130 -7.055 9.974 1.00 0.00 O ATOM 697 CB LYS A 44 3.257 -9.132 7.372 1.00 0.00 C ATOM 698 CG LYS A 44 4.730 -8.973 7.765 1.00 0.00 C ATOM 699 CD LYS A 44 5.624 -9.223 6.542 1.00 0.00 C ATOM 700 CE LYS A 44 5.452 -8.098 5.509 1.00 0.00 C ATOM 701 NZ LYS A 44 6.677 -8.015 4.665 1.00 0.00 N ATOM 0 H LYS A 44 0.759 -9.266 7.237 1.00 0.00 H new ATOM 0 HA LYS A 44 2.658 -9.467 9.424 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.076 -10.143 7.008 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.013 -8.451 6.556 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.905 -7.971 8.156 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.982 -9.675 8.560 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.667 -9.283 6.853 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.371 -10.182 6.089 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.579 -8.291 4.886 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.279 -7.148 6.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.565 -7.255 3.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.500 -7.812 5.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.822 -8.920 4.174 1.00 0.00 H new ATOM 715 N GLU A 45 1.958 -6.469 8.225 1.00 0.00 N ATOM 716 CA GLU A 45 2.096 -5.030 8.586 1.00 0.00 C ATOM 717 C GLU A 45 1.627 -4.821 10.027 1.00 0.00 C ATOM 718 O GLU A 45 2.064 -3.913 10.706 1.00 0.00 O ATOM 719 CB GLU A 45 1.247 -4.177 7.639 1.00 0.00 C ATOM 720 CG GLU A 45 1.693 -2.716 7.726 1.00 0.00 C ATOM 721 CD GLU A 45 0.784 -1.850 6.853 1.00 0.00 C ATOM 722 OE1 GLU A 45 1.101 -1.682 5.686 1.00 0.00 O ATOM 723 OE2 GLU A 45 -0.214 -1.370 7.363 1.00 0.00 O ATOM 0 H GLU A 45 1.422 -6.660 7.379 1.00 0.00 H new ATOM 0 HA GLU A 45 3.141 -4.732 8.497 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.350 -4.539 6.616 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.193 -4.262 7.903 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.654 -2.374 8.760 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.728 -2.621 7.398 1.00 0.00 H new ATOM 730 N LEU A 46 0.733 -5.649 10.496 1.00 0.00 N ATOM 731 CA LEU A 46 0.225 -5.493 11.892 1.00 0.00 C ATOM 732 C LEU A 46 1.160 -6.191 12.887 1.00 0.00 C ATOM 733 O LEU A 46 1.211 -5.836 14.049 1.00 0.00 O ATOM 734 CB LEU A 46 -1.167 -6.124 11.995 1.00 0.00 C ATOM 735 CG LEU A 46 -2.191 -5.330 11.142 1.00 0.00 C ATOM 736 CD1 LEU A 46 -3.359 -6.248 10.763 1.00 0.00 C ATOM 737 CD2 LEU A 46 -2.759 -4.134 11.935 1.00 0.00 C ATOM 0 H LEU A 46 0.331 -6.428 9.973 1.00 0.00 H new ATOM 0 HA LEU A 46 0.180 -4.430 12.131 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.129 -7.159 11.656 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.488 -6.141 13.036 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.679 -4.964 10.252 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.079 -5.691 10.164 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.985 -7.094 10.187 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.845 -6.612 11.669 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.474 -3.593 11.315 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.259 -4.497 12.833 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.946 -3.465 12.217 1.00 0.00 H new ATOM 749 N GLU A 47 1.887 -7.186 12.460 1.00 0.00 N ATOM 750 CA GLU A 47 2.793 -7.902 13.405 1.00 0.00 C ATOM 751 C GLU A 47 3.853 -6.939 13.962 1.00 0.00 C ATOM 752 O GLU A 47 4.739 -7.342 14.690 1.00 0.00 O ATOM 753 CB GLU A 47 3.451 -9.105 12.686 1.00 0.00 C ATOM 754 CG GLU A 47 4.749 -8.695 11.952 1.00 0.00 C ATOM 755 CD GLU A 47 5.949 -8.807 12.898 1.00 0.00 C ATOM 756 OE1 GLU A 47 6.239 -9.911 13.328 1.00 0.00 O ATOM 757 OE2 GLU A 47 6.555 -7.785 13.177 1.00 0.00 O ATOM 0 H GLU A 47 1.894 -7.534 11.501 1.00 0.00 H new ATOM 0 HA GLU A 47 2.212 -8.279 14.247 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.676 -9.885 13.414 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.747 -9.530 11.970 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.901 -9.334 11.082 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.660 -7.673 11.585 1.00 0.00 H new ATOM 764 N LYS A 48 3.771 -5.672 13.630 1.00 0.00 N ATOM 765 CA LYS A 48 4.779 -4.684 14.145 1.00 0.00 C ATOM 766 C LYS A 48 4.066 -3.417 14.624 1.00 0.00 C ATOM 767 O LYS A 48 4.523 -2.313 14.404 1.00 0.00 O ATOM 768 CB LYS A 48 5.784 -4.335 13.037 1.00 0.00 C ATOM 769 CG LYS A 48 5.069 -3.722 11.822 1.00 0.00 C ATOM 770 CD LYS A 48 6.117 -3.336 10.773 1.00 0.00 C ATOM 771 CE LYS A 48 5.479 -2.475 9.674 1.00 0.00 C ATOM 772 NZ LYS A 48 6.333 -2.525 8.454 1.00 0.00 N ATOM 0 H LYS A 48 3.051 -5.277 13.025 1.00 0.00 H new ATOM 0 HA LYS A 48 5.317 -5.127 14.983 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.525 -3.633 13.420 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.322 -5.233 12.733 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.360 -4.436 11.402 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.497 -2.845 12.124 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.931 -2.788 11.247 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.551 -4.235 10.334 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.477 -2.839 9.446 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.374 -1.446 10.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.905 -1.943 7.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.280 -2.159 8.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.411 -3.508 8.125 1.00 0.00 H new ATOM 786 N VAL A 49 2.954 -3.570 15.295 1.00 0.00 N ATOM 787 CA VAL A 49 2.209 -2.379 15.808 1.00 0.00 C ATOM 788 C VAL A 49 1.521 -2.743 17.126 1.00 0.00 C ATOM 789 O VAL A 49 1.746 -2.119 18.145 1.00 0.00 O ATOM 790 CB VAL A 49 1.155 -1.951 14.786 1.00 0.00 C ATOM 791 CG1 VAL A 49 0.410 -0.721 15.309 1.00 0.00 C ATOM 792 CG2 VAL A 49 1.837 -1.606 13.461 1.00 0.00 C ATOM 0 H VAL A 49 2.528 -4.471 15.511 1.00 0.00 H new ATOM 0 HA VAL A 49 2.907 -1.558 15.972 1.00 0.00 H new ATOM 0 HB VAL A 49 0.449 -2.767 14.629 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.342 -0.414 14.582 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.077 -0.965 16.253 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.117 0.094 15.465 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.085 -1.301 12.733 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.543 -0.790 13.617 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.370 -2.481 13.087 1.00 0.00 H new ATOM 802 N TYR A 50 0.690 -3.752 17.121 1.00 0.00 N ATOM 803 CA TYR A 50 -0.005 -4.160 18.380 1.00 0.00 C ATOM 804 C TYR A 50 0.853 -5.195 19.118 1.00 0.00 C ATOM 805 O TYR A 50 2.060 -5.073 19.188 1.00 0.00 O ATOM 806 CB TYR A 50 -1.372 -4.763 18.044 1.00 0.00 C ATOM 807 CG TYR A 50 -2.253 -3.708 17.412 1.00 0.00 C ATOM 808 CD1 TYR A 50 -2.977 -2.823 18.224 1.00 0.00 C ATOM 809 CD2 TYR A 50 -2.353 -3.616 16.017 1.00 0.00 C ATOM 810 CE1 TYR A 50 -3.797 -1.850 17.641 1.00 0.00 C ATOM 811 CE2 TYR A 50 -3.174 -2.642 15.436 1.00 0.00 C ATOM 812 CZ TYR A 50 -3.895 -1.759 16.248 1.00 0.00 C ATOM 813 OH TYR A 50 -4.706 -0.800 15.675 1.00 0.00 O ATOM 0 H TYR A 50 0.462 -4.312 16.300 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.150 -3.287 19.017 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.251 -5.605 17.363 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.842 -5.149 18.948 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.902 -2.892 19.299 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -1.796 -4.297 15.390 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.355 -1.169 18.267 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.251 -2.572 14.361 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.202 -0.311 14.991 1.00 0.00 H new ATOM 823 N ASP A 51 0.245 -6.206 19.679 1.00 0.00 N ATOM 824 CA ASP A 51 1.032 -7.232 20.419 1.00 0.00 C ATOM 825 C ASP A 51 0.147 -8.459 20.686 1.00 0.00 C ATOM 826 O ASP A 51 -0.330 -8.632 21.790 1.00 0.00 O ATOM 827 CB ASP A 51 1.487 -6.641 21.760 1.00 0.00 C ATOM 828 CG ASP A 51 0.272 -6.100 22.516 1.00 0.00 C ATOM 829 OD1 ASP A 51 -0.595 -5.530 21.874 1.00 0.00 O ATOM 830 OD2 ASP A 51 0.227 -6.267 23.723 1.00 0.00 O ATOM 0 H ASP A 51 -0.762 -6.365 19.656 1.00 0.00 H new ATOM 0 HA ASP A 51 1.899 -7.527 19.828 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.989 -7.404 22.355 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.209 -5.842 21.591 1.00 0.00 H new ATOM 835 N PRO A 52 -0.063 -9.281 19.676 1.00 0.00 N ATOM 836 CA PRO A 52 -0.905 -10.484 19.822 1.00 0.00 C ATOM 837 C PRO A 52 -0.277 -11.460 20.828 1.00 0.00 C ATOM 838 O PRO A 52 -0.698 -12.593 20.956 1.00 0.00 O ATOM 839 CB PRO A 52 -0.975 -11.098 18.403 1.00 0.00 C ATOM 840 CG PRO A 52 -0.140 -10.184 17.457 1.00 0.00 C ATOM 841 CD PRO A 52 0.504 -9.080 18.324 1.00 0.00 C ATOM 0 HA PRO A 52 -1.899 -10.253 20.206 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.578 -12.113 18.404 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.009 -11.160 18.062 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.627 -10.764 16.943 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.776 -9.745 16.689 1.00 0.00 H new ATOM 0 HD2 PRO A 52 1.590 -9.168 18.334 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.268 -8.088 17.940 1.00 0.00 H new ATOM 849 N LYS A 53 0.721 -11.027 21.543 1.00 0.00 N ATOM 850 CA LYS A 53 1.372 -11.922 22.542 1.00 0.00 C ATOM 851 C LYS A 53 0.563 -11.905 23.842 1.00 0.00 C ATOM 852 O LYS A 53 0.849 -12.635 24.770 1.00 0.00 O ATOM 853 CB LYS A 53 2.795 -11.422 22.824 1.00 0.00 C ATOM 854 CG LYS A 53 3.625 -11.406 21.524 1.00 0.00 C ATOM 855 CD LYS A 53 4.299 -12.766 21.303 1.00 0.00 C ATOM 856 CE LYS A 53 4.816 -12.853 19.866 1.00 0.00 C ATOM 857 NZ LYS A 53 5.625 -14.094 19.705 1.00 0.00 N ATOM 0 H LYS A 53 1.117 -10.089 21.480 1.00 0.00 H new ATOM 0 HA LYS A 53 1.413 -12.938 22.149 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.757 -10.420 23.252 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.274 -12.066 23.562 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.981 -11.170 20.677 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.381 -10.623 21.577 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.123 -12.894 22.005 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.589 -13.571 21.495 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.980 -12.858 19.167 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.422 -11.978 19.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.977 -14.155 18.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.430 -14.071 20.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.033 -14.924 19.911 1.00 0.00 H new ATOM 871 N ASN A 54 -0.444 -11.078 23.917 1.00 0.00 N ATOM 872 CA ASN A 54 -1.267 -11.018 25.158 1.00 0.00 C ATOM 873 C ASN A 54 -2.156 -12.257 25.243 1.00 0.00 C ATOM 874 O ASN A 54 -2.732 -12.553 26.270 1.00 0.00 O ATOM 875 CB ASN A 54 -2.142 -9.764 25.133 1.00 0.00 C ATOM 876 CG ASN A 54 -1.255 -8.522 25.019 1.00 0.00 C ATOM 877 OD1 ASN A 54 -0.053 -8.545 25.527 1.00 0.00 O flip ATOM 878 ND2 ASN A 54 -1.661 -7.521 24.465 1.00 0.00 N flip ATOM 0 H ASN A 54 -0.732 -10.442 23.173 1.00 0.00 H new ATOM 0 HA ASN A 54 -0.608 -10.984 26.026 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.834 -9.808 24.292 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.745 -9.711 26.039 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.600 -7.503 24.068 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.063 -6.698 24.396 1.00 0.00 H new ATOM 885 N GLU A 55 -2.267 -12.984 24.168 1.00 0.00 N ATOM 886 CA GLU A 55 -3.117 -14.210 24.175 1.00 0.00 C ATOM 887 C GLU A 55 -4.463 -13.902 24.837 1.00 0.00 C ATOM 888 O GLU A 55 -4.913 -14.615 25.712 1.00 0.00 O ATOM 889 CB GLU A 55 -2.406 -15.317 24.957 1.00 0.00 C ATOM 890 CG GLU A 55 -1.041 -15.592 24.325 1.00 0.00 C ATOM 891 CD GLU A 55 -0.330 -16.699 25.108 1.00 0.00 C ATOM 892 OE1 GLU A 55 0.170 -16.410 26.182 1.00 0.00 O ATOM 893 OE2 GLU A 55 -0.299 -17.816 24.618 1.00 0.00 O ATOM 0 H GLU A 55 -1.805 -12.783 23.281 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.287 -14.537 23.149 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.283 -15.020 25.998 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.010 -16.225 24.954 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.164 -15.890 23.284 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.437 -14.684 24.328 1.00 0.00 H new ATOM 900 N GLU A 56 -5.109 -12.845 24.426 1.00 0.00 N ATOM 901 CA GLU A 56 -6.417 -12.490 25.023 1.00 0.00 C ATOM 902 C GLU A 56 -7.132 -11.509 24.089 1.00 0.00 C ATOM 903 O GLU A 56 -8.267 -11.712 23.709 1.00 0.00 O ATOM 904 CB GLU A 56 -6.180 -11.831 26.384 1.00 0.00 C ATOM 905 CG GLU A 56 -7.483 -11.218 26.888 1.00 0.00 C ATOM 906 CD GLU A 56 -7.361 -10.900 28.379 1.00 0.00 C ATOM 907 OE1 GLU A 56 -6.818 -9.856 28.699 1.00 0.00 O ATOM 908 OE2 GLU A 56 -7.811 -11.708 29.175 1.00 0.00 O ATOM 0 H GLU A 56 -4.780 -12.211 23.697 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.030 -13.382 25.156 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.813 -12.569 27.098 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.413 -11.061 26.298 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.708 -10.309 26.330 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.310 -11.908 26.720 1.00 0.00 H new ATOM 915 N ASP A 57 -6.473 -10.444 23.722 1.00 0.00 N ATOM 916 CA ASP A 57 -7.109 -9.445 22.821 1.00 0.00 C ATOM 917 C ASP A 57 -7.573 -10.134 21.535 1.00 0.00 C ATOM 918 O ASP A 57 -8.407 -9.626 20.813 1.00 0.00 O ATOM 919 CB ASP A 57 -6.096 -8.351 22.475 1.00 0.00 C ATOM 920 CG ASP A 57 -5.590 -7.699 23.764 1.00 0.00 C ATOM 921 OD1 ASP A 57 -6.342 -6.943 24.356 1.00 0.00 O ATOM 922 OD2 ASP A 57 -4.460 -7.968 24.136 1.00 0.00 O ATOM 0 H ASP A 57 -5.519 -10.223 24.009 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.968 -9.001 23.324 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.261 -8.776 21.918 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.559 -7.602 21.833 1.00 0.00 H new ATOM 927 N ASP A 58 -7.038 -11.288 21.244 1.00 0.00 N ATOM 928 CA ASP A 58 -7.450 -12.010 20.006 1.00 0.00 C ATOM 929 C ASP A 58 -7.408 -11.052 18.813 1.00 0.00 C ATOM 930 O ASP A 58 -7.956 -11.328 17.764 1.00 0.00 O ATOM 931 CB ASP A 58 -8.872 -12.547 20.178 1.00 0.00 C ATOM 932 CG ASP A 58 -8.911 -13.521 21.357 1.00 0.00 C ATOM 933 OD1 ASP A 58 -8.304 -14.574 21.251 1.00 0.00 O ATOM 934 OD2 ASP A 58 -9.547 -13.197 22.348 1.00 0.00 O ATOM 0 H ASP A 58 -6.334 -11.762 21.809 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.766 -12.840 19.828 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.565 -11.723 20.350 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.195 -13.050 19.266 1.00 0.00 H new ATOM 939 N MET A 59 -6.760 -9.928 18.961 1.00 0.00 N ATOM 940 CA MET A 59 -6.683 -8.958 17.832 1.00 0.00 C ATOM 941 C MET A 59 -8.088 -8.700 17.283 1.00 0.00 C ATOM 942 O MET A 59 -8.253 -8.195 16.189 1.00 0.00 O ATOM 943 CB MET A 59 -5.802 -9.537 16.722 1.00 0.00 C ATOM 944 CG MET A 59 -4.346 -9.583 17.189 1.00 0.00 C ATOM 945 SD MET A 59 -3.627 -7.925 17.090 1.00 0.00 S ATOM 946 CE MET A 59 -3.081 -8.015 15.367 1.00 0.00 C ATOM 0 H MET A 59 -6.281 -9.640 19.814 1.00 0.00 H new ATOM 0 HA MET A 59 -6.254 -8.021 18.187 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.142 -10.539 16.461 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.886 -8.927 15.823 1.00 0.00 H new ATOM 0 HG2 MET A 59 -4.293 -9.953 18.213 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.776 -10.276 16.570 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.583 -7.084 15.094 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.386 -8.846 15.248 1.00 0.00 H new ATOM 0 HE3 MET A 59 -3.944 -8.168 14.719 1.00 0.00 H new ATOM 956 N ARG A 60 -9.102 -9.042 18.029 1.00 0.00 N ATOM 957 CA ARG A 60 -10.495 -8.818 17.546 1.00 0.00 C ATOM 958 C ARG A 60 -10.908 -7.369 17.824 1.00 0.00 C ATOM 959 O ARG A 60 -11.490 -6.711 16.989 1.00 0.00 O ATOM 960 CB ARG A 60 -11.447 -9.771 18.273 1.00 0.00 C ATOM 961 CG ARG A 60 -12.880 -9.531 17.792 1.00 0.00 C ATOM 962 CD ARG A 60 -13.766 -10.705 18.218 1.00 0.00 C ATOM 963 NE ARG A 60 -13.477 -11.884 17.354 1.00 0.00 N ATOM 964 CZ ARG A 60 -13.890 -13.071 17.709 1.00 0.00 C ATOM 965 NH1 ARG A 60 -14.556 -13.225 18.821 1.00 0.00 N ATOM 966 NH2 ARG A 60 -13.635 -14.104 16.953 1.00 0.00 N ATOM 0 H ARG A 60 -9.027 -9.467 18.953 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.542 -9.007 16.474 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.158 -10.805 18.084 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.383 -9.614 19.350 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -13.264 -8.601 18.211 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.898 -9.423 16.707 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.582 -10.953 19.263 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.817 -10.430 18.136 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.956 -11.764 16.485 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -14.754 -12.418 19.413 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -14.879 -14.152 19.098 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.113 -13.984 16.085 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.958 -15.031 17.230 1.00 0.00 H new ATOM 980 N GLU A 61 -10.635 -6.873 18.995 1.00 0.00 N ATOM 981 CA GLU A 61 -11.034 -5.473 19.323 1.00 0.00 C ATOM 982 C GLU A 61 -10.543 -4.508 18.233 1.00 0.00 C ATOM 983 O GLU A 61 -11.296 -3.703 17.723 1.00 0.00 O ATOM 984 CB GLU A 61 -10.421 -5.074 20.672 1.00 0.00 C ATOM 985 CG GLU A 61 -11.229 -5.699 21.815 1.00 0.00 C ATOM 986 CD GLU A 61 -10.544 -5.393 23.149 1.00 0.00 C ATOM 987 OE1 GLU A 61 -9.611 -6.101 23.489 1.00 0.00 O ATOM 988 OE2 GLU A 61 -10.966 -4.456 23.807 1.00 0.00 O ATOM 0 H GLU A 61 -10.153 -7.374 19.742 1.00 0.00 H new ATOM 0 HA GLU A 61 -12.121 -5.418 19.378 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.384 -5.407 20.723 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.413 -3.989 20.771 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.245 -5.303 21.816 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.307 -6.777 21.673 1.00 0.00 H new ATOM 995 N MET A 62 -9.283 -4.562 17.892 1.00 0.00 N ATOM 996 CA MET A 62 -8.745 -3.624 16.858 1.00 0.00 C ATOM 997 C MET A 62 -9.293 -3.962 15.464 1.00 0.00 C ATOM 998 O MET A 62 -9.088 -3.215 14.528 1.00 0.00 O ATOM 999 CB MET A 62 -7.207 -3.699 16.836 1.00 0.00 C ATOM 1000 CG MET A 62 -6.715 -5.118 16.436 1.00 0.00 C ATOM 1001 SD MET A 62 -5.545 -5.002 15.053 1.00 0.00 S ATOM 1002 CE MET A 62 -6.710 -5.381 13.719 1.00 0.00 C ATOM 0 H MET A 62 -8.602 -5.213 18.283 1.00 0.00 H new ATOM 0 HA MET A 62 -9.063 -2.614 17.118 1.00 0.00 H new ATOM 0 HB2 MET A 62 -6.815 -2.964 16.132 1.00 0.00 H new ATOM 0 HB3 MET A 62 -6.814 -3.440 17.819 1.00 0.00 H new ATOM 0 HG2 MET A 62 -6.236 -5.600 17.289 1.00 0.00 H new ATOM 0 HG3 MET A 62 -7.564 -5.740 16.154 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.157 -5.641 12.816 1.00 0.00 H new ATOM 0 HE2 MET A 62 -7.340 -6.220 14.014 1.00 0.00 H new ATOM 0 HE3 MET A 62 -7.335 -4.510 13.523 1.00 0.00 H new ATOM 1012 N GLU A 63 -9.972 -5.077 15.317 1.00 0.00 N ATOM 1013 CA GLU A 63 -10.519 -5.469 13.970 1.00 0.00 C ATOM 1014 C GLU A 63 -11.027 -4.237 13.212 1.00 0.00 C ATOM 1015 O GLU A 63 -11.060 -4.214 11.998 1.00 0.00 O ATOM 1016 CB GLU A 63 -11.675 -6.458 14.144 1.00 0.00 C ATOM 1017 CG GLU A 63 -12.862 -5.757 14.818 1.00 0.00 C ATOM 1018 CD GLU A 63 -13.817 -6.801 15.399 1.00 0.00 C ATOM 1019 OE1 GLU A 63 -14.027 -7.810 14.747 1.00 0.00 O ATOM 1020 OE2 GLU A 63 -14.323 -6.572 16.485 1.00 0.00 O ATOM 0 H GLU A 63 -10.173 -5.735 16.070 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.715 -5.934 13.399 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.977 -6.853 13.174 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.352 -7.307 14.747 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.505 -5.097 15.609 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.387 -5.133 14.094 1.00 0.00 H new ATOM 1027 N GLU A 64 -11.414 -3.212 13.918 1.00 0.00 N ATOM 1028 CA GLU A 64 -11.908 -1.983 13.238 1.00 0.00 C ATOM 1029 C GLU A 64 -10.856 -1.492 12.240 1.00 0.00 C ATOM 1030 O GLU A 64 -11.167 -0.824 11.275 1.00 0.00 O ATOM 1031 CB GLU A 64 -12.155 -0.897 14.284 1.00 0.00 C ATOM 1032 CG GLU A 64 -13.335 -1.298 15.171 1.00 0.00 C ATOM 1033 CD GLU A 64 -14.631 -1.230 14.361 1.00 0.00 C ATOM 1034 OE1 GLU A 64 -15.158 -0.139 14.215 1.00 0.00 O ATOM 1035 OE2 GLU A 64 -15.074 -2.269 13.901 1.00 0.00 O ATOM 0 H GLU A 64 -11.410 -3.172 14.937 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.835 -2.206 12.709 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.262 -0.754 14.892 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -12.362 0.054 13.794 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.187 -2.307 15.556 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.398 -0.634 16.033 1.00 0.00 H new ATOM 1042 N GLU A 65 -9.612 -1.813 12.470 1.00 0.00 N ATOM 1043 CA GLU A 65 -8.539 -1.358 11.539 1.00 0.00 C ATOM 1044 C GLU A 65 -8.525 -2.241 10.288 1.00 0.00 C ATOM 1045 O GLU A 65 -8.419 -1.759 9.177 1.00 0.00 O ATOM 1046 CB GLU A 65 -7.182 -1.458 12.241 1.00 0.00 C ATOM 1047 CG GLU A 65 -7.047 -0.327 13.261 1.00 0.00 C ATOM 1048 CD GLU A 65 -8.196 -0.406 14.267 1.00 0.00 C ATOM 1049 OE1 GLU A 65 -8.078 -1.165 15.215 1.00 0.00 O ATOM 1050 OE2 GLU A 65 -9.175 0.295 14.073 1.00 0.00 O ATOM 0 H GLU A 65 -9.292 -2.370 13.262 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.731 -0.325 11.249 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.089 -2.423 12.739 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.377 -1.399 11.508 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.091 -0.402 13.779 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.060 0.638 12.754 1.00 0.00 H new ATOM 1057 N ARG A 66 -8.621 -3.532 10.458 1.00 0.00 N ATOM 1058 CA ARG A 66 -8.603 -4.446 9.280 1.00 0.00 C ATOM 1059 C ARG A 66 -9.783 -4.119 8.354 1.00 0.00 C ATOM 1060 O ARG A 66 -9.644 -4.090 7.148 1.00 0.00 O ATOM 1061 CB ARG A 66 -8.710 -5.910 9.771 1.00 0.00 C ATOM 1062 CG ARG A 66 -7.318 -6.541 9.889 1.00 0.00 C ATOM 1063 CD ARG A 66 -7.455 -7.977 10.400 1.00 0.00 C ATOM 1064 NE ARG A 66 -6.133 -8.658 10.336 1.00 0.00 N ATOM 1065 CZ ARG A 66 -5.945 -9.776 10.982 1.00 0.00 C ATOM 1066 NH1 ARG A 66 -6.918 -10.297 11.680 1.00 0.00 N ATOM 1067 NH2 ARG A 66 -4.787 -10.375 10.930 1.00 0.00 N ATOM 0 H ARG A 66 -8.711 -3.994 11.363 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.672 -4.315 8.728 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.212 -5.939 10.738 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.320 -6.489 9.077 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.820 -6.534 8.920 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.698 -5.958 10.570 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.825 -7.975 11.425 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.184 -8.520 9.799 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.375 -8.251 9.788 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.824 -9.830 11.720 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.772 -11.171 12.185 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.027 -9.969 10.384 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.642 -11.249 11.436 1.00 0.00 H new ATOM 1081 N LEU A 67 -10.944 -3.895 8.904 1.00 0.00 N ATOM 1082 CA LEU A 67 -12.123 -3.597 8.044 1.00 0.00 C ATOM 1083 C LEU A 67 -12.025 -2.174 7.491 1.00 0.00 C ATOM 1084 O LEU A 67 -12.525 -1.876 6.428 1.00 0.00 O ATOM 1085 CB LEU A 67 -13.404 -3.730 8.873 1.00 0.00 C ATOM 1086 CG LEU A 67 -13.455 -5.109 9.545 1.00 0.00 C ATOM 1087 CD1 LEU A 67 -14.607 -5.137 10.550 1.00 0.00 C ATOM 1088 CD2 LEU A 67 -13.670 -6.205 8.488 1.00 0.00 C ATOM 0 H LEU A 67 -11.127 -3.905 9.907 1.00 0.00 H new ATOM 0 HA LEU A 67 -12.144 -4.303 7.213 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.440 -2.946 9.630 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.276 -3.596 8.233 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.511 -5.293 10.058 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -14.647 -6.115 11.030 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -14.449 -4.368 11.306 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -15.547 -4.948 10.031 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -13.705 -7.179 8.976 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -14.610 -6.027 7.966 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -12.848 -6.187 7.772 1.00 0.00 H new ATOM 1100 N ARG A 68 -11.402 -1.287 8.217 1.00 0.00 N ATOM 1101 CA ARG A 68 -11.293 0.124 7.744 1.00 0.00 C ATOM 1102 C ARG A 68 -10.263 0.226 6.613 1.00 0.00 C ATOM 1103 O ARG A 68 -10.443 0.968 5.667 1.00 0.00 O ATOM 1104 CB ARG A 68 -10.866 1.015 8.923 1.00 0.00 C ATOM 1105 CG ARG A 68 -10.577 2.450 8.448 1.00 0.00 C ATOM 1106 CD ARG A 68 -11.779 3.022 7.682 1.00 0.00 C ATOM 1107 NE ARG A 68 -13.052 2.528 8.280 1.00 0.00 N ATOM 1108 CZ ARG A 68 -14.178 3.127 8.003 1.00 0.00 C ATOM 1109 NH1 ARG A 68 -14.188 4.157 7.201 1.00 0.00 N ATOM 1110 NH2 ARG A 68 -15.292 2.699 8.529 1.00 0.00 N ATOM 0 H ARG A 68 -10.963 -1.477 9.118 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.259 0.455 7.363 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -11.652 1.029 9.678 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.977 0.598 9.396 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -10.351 3.084 9.306 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.695 2.455 7.807 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.753 4.111 7.711 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -11.724 2.730 6.633 1.00 0.00 H new ATOM 0 HE ARG A 68 -13.043 1.722 8.905 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -13.316 4.493 6.791 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -15.067 4.626 6.984 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -15.284 1.896 9.157 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -16.172 3.168 8.312 1.00 0.00 H new ATOM 1124 N MET A 69 -9.180 -0.503 6.700 1.00 0.00 N ATOM 1125 CA MET A 69 -8.137 -0.430 5.625 1.00 0.00 C ATOM 1126 C MET A 69 -8.479 -1.405 4.492 1.00 0.00 C ATOM 1127 O MET A 69 -8.427 -1.056 3.330 1.00 0.00 O ATOM 1128 CB MET A 69 -6.746 -0.770 6.192 1.00 0.00 C ATOM 1129 CG MET A 69 -6.459 0.049 7.460 1.00 0.00 C ATOM 1130 SD MET A 69 -5.045 -0.673 8.329 1.00 0.00 S ATOM 1131 CE MET A 69 -4.882 0.606 9.598 1.00 0.00 C ATOM 0 H MET A 69 -8.970 -1.144 7.465 1.00 0.00 H new ATOM 0 HA MET A 69 -8.120 0.588 5.236 1.00 0.00 H new ATOM 0 HB2 MET A 69 -6.692 -1.834 6.421 1.00 0.00 H new ATOM 0 HB3 MET A 69 -5.982 -0.566 5.441 1.00 0.00 H new ATOM 0 HG2 MET A 69 -6.249 1.086 7.198 1.00 0.00 H new ATOM 0 HG3 MET A 69 -7.335 0.056 8.109 1.00 0.00 H new ATOM 0 HE1 MET A 69 -4.052 0.358 10.260 1.00 0.00 H new ATOM 0 HE2 MET A 69 -4.693 1.568 9.122 1.00 0.00 H new ATOM 0 HE3 MET A 69 -5.803 0.663 10.178 1.00 0.00 H new ATOM 1141 N ARG A 70 -8.824 -2.621 4.810 1.00 0.00 N ATOM 1142 CA ARG A 70 -9.159 -3.604 3.736 1.00 0.00 C ATOM 1143 C ARG A 70 -10.348 -3.104 2.906 1.00 0.00 C ATOM 1144 O ARG A 70 -10.398 -3.304 1.709 1.00 0.00 O ATOM 1145 CB ARG A 70 -9.516 -4.949 4.370 1.00 0.00 C ATOM 1146 CG ARG A 70 -9.740 -5.987 3.269 1.00 0.00 C ATOM 1147 CD ARG A 70 -9.978 -7.360 3.906 1.00 0.00 C ATOM 1148 NE ARG A 70 -8.729 -7.816 4.579 1.00 0.00 N ATOM 1149 CZ ARG A 70 -8.774 -8.798 5.439 1.00 0.00 C ATOM 1150 NH1 ARG A 70 -9.912 -9.377 5.710 1.00 0.00 N ATOM 1151 NH2 ARG A 70 -7.681 -9.199 6.028 1.00 0.00 N ATOM 0 H ARG A 70 -8.889 -2.978 5.763 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.294 -3.719 3.083 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.715 -5.274 5.034 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.414 -4.849 4.979 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.596 -5.705 2.656 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.874 -6.025 2.608 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.793 -7.302 4.628 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -10.277 -8.080 3.144 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.840 -7.362 4.368 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -10.766 -9.063 5.250 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -9.947 -10.144 6.382 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.792 -8.746 5.817 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -7.716 -9.966 6.700 1.00 0.00 H new ATOM 1165 N GLU A 71 -11.308 -2.469 3.516 1.00 0.00 N ATOM 1166 CA GLU A 71 -12.481 -1.983 2.731 1.00 0.00 C ATOM 1167 C GLU A 71 -12.098 -0.747 1.913 1.00 0.00 C ATOM 1168 O GLU A 71 -12.395 -0.656 0.738 1.00 0.00 O ATOM 1169 CB GLU A 71 -13.626 -1.626 3.680 1.00 0.00 C ATOM 1170 CG GLU A 71 -14.138 -2.896 4.363 1.00 0.00 C ATOM 1171 CD GLU A 71 -15.171 -2.522 5.427 1.00 0.00 C ATOM 1172 OE1 GLU A 71 -14.891 -1.630 6.211 1.00 0.00 O ATOM 1173 OE2 GLU A 71 -16.227 -3.133 5.439 1.00 0.00 O ATOM 0 H GLU A 71 -11.334 -2.266 4.515 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.799 -2.775 2.053 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.283 -0.911 4.428 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -14.434 -1.146 3.128 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.585 -3.563 3.626 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.308 -3.436 4.820 1.00 0.00 H new ATOM 1180 N HIS A 72 -11.453 0.210 2.519 1.00 0.00 N ATOM 1181 CA HIS A 72 -11.070 1.442 1.770 1.00 0.00 C ATOM 1182 C HIS A 72 -10.195 1.080 0.563 1.00 0.00 C ATOM 1183 O HIS A 72 -10.323 1.666 -0.492 1.00 0.00 O ATOM 1184 CB HIS A 72 -10.302 2.393 2.694 1.00 0.00 C ATOM 1185 CG HIS A 72 -10.184 3.742 2.042 1.00 0.00 C ATOM 1186 ND1 HIS A 72 -9.120 4.072 1.217 1.00 0.00 N ATOM 1187 CD2 HIS A 72 -10.987 4.855 2.083 1.00 0.00 C ATOM 1188 CE1 HIS A 72 -9.309 5.337 0.801 1.00 0.00 C ATOM 1189 NE2 HIS A 72 -10.432 5.862 1.298 1.00 0.00 N ATOM 0 H HIS A 72 -11.174 0.194 3.500 1.00 0.00 H new ATOM 0 HA HIS A 72 -11.977 1.933 1.416 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -10.818 2.484 3.650 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.311 1.991 2.904 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -11.909 4.937 2.640 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -8.634 5.865 0.144 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -10.803 6.798 1.137 1.00 0.00 H new ATOM 1197 N VAL A 73 -9.305 0.131 0.698 1.00 0.00 N ATOM 1198 CA VAL A 73 -8.442 -0.224 -0.468 1.00 0.00 C ATOM 1199 C VAL A 73 -9.272 -0.959 -1.523 1.00 0.00 C ATOM 1200 O VAL A 73 -9.317 -0.566 -2.671 1.00 0.00 O ATOM 1201 CB VAL A 73 -7.282 -1.124 -0.022 1.00 0.00 C ATOM 1202 CG1 VAL A 73 -6.503 -1.583 -1.259 1.00 0.00 C ATOM 1203 CG2 VAL A 73 -6.361 -0.340 0.917 1.00 0.00 C ATOM 0 H VAL A 73 -9.140 -0.405 1.550 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.038 0.695 -0.892 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.668 -1.995 0.507 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.676 -2.223 -0.951 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.166 -2.140 -1.921 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.111 -0.713 -1.786 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.537 -0.978 1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.965 0.531 0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.925 -0.014 1.791 1.00 0.00 H new ATOM 1213 N MET A 74 -9.921 -2.026 -1.152 1.00 0.00 N ATOM 1214 CA MET A 74 -10.731 -2.780 -2.148 1.00 0.00 C ATOM 1215 C MET A 74 -11.882 -1.909 -2.658 1.00 0.00 C ATOM 1216 O MET A 74 -12.423 -2.154 -3.714 1.00 0.00 O ATOM 1217 CB MET A 74 -11.293 -4.059 -1.510 1.00 0.00 C ATOM 1218 CG MET A 74 -10.169 -5.083 -1.292 1.00 0.00 C ATOM 1219 SD MET A 74 -10.890 -6.739 -1.101 1.00 0.00 S ATOM 1220 CE MET A 74 -10.237 -7.487 -2.619 1.00 0.00 C ATOM 0 H MET A 74 -9.926 -2.408 -0.206 1.00 0.00 H new ATOM 0 HA MET A 74 -10.090 -3.051 -2.987 1.00 0.00 H new ATOM 0 HB2 MET A 74 -11.767 -3.821 -0.558 1.00 0.00 H new ATOM 0 HB3 MET A 74 -12.064 -4.486 -2.152 1.00 0.00 H new ATOM 0 HG2 MET A 74 -9.481 -5.069 -2.137 1.00 0.00 H new ATOM 0 HG3 MET A 74 -9.591 -4.822 -0.406 1.00 0.00 H new ATOM 0 HE1 MET A 74 -10.528 -8.537 -2.662 1.00 0.00 H new ATOM 0 HE2 MET A 74 -10.640 -6.963 -3.485 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.150 -7.412 -2.623 1.00 0.00 H new ATOM 1230 N LYS A 75 -12.282 -0.905 -1.926 1.00 0.00 N ATOM 1231 CA LYS A 75 -13.413 -0.049 -2.395 1.00 0.00 C ATOM 1232 C LYS A 75 -12.879 1.135 -3.216 1.00 0.00 C ATOM 1233 O LYS A 75 -13.530 1.606 -4.129 1.00 0.00 O ATOM 1234 CB LYS A 75 -14.178 0.472 -1.169 1.00 0.00 C ATOM 1235 CG LYS A 75 -15.525 1.122 -1.586 1.00 0.00 C ATOM 1236 CD LYS A 75 -15.380 2.657 -1.731 1.00 0.00 C ATOM 1237 CE LYS A 75 -15.703 3.350 -0.411 1.00 0.00 C ATOM 1238 NZ LYS A 75 -15.529 4.821 -0.564 1.00 0.00 N ATOM 0 H LYS A 75 -11.878 -0.640 -1.028 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.078 -0.637 -3.028 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.366 -0.349 -0.477 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.567 1.202 -0.638 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -15.862 0.694 -2.530 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -16.288 0.894 -0.842 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.365 2.905 -2.040 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.048 3.019 -2.512 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -16.726 3.124 -0.111 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.049 2.976 0.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.696 5.130 -0.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.394 5.052 -1.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.375 5.310 -0.207 1.00 0.00 H new ATOM 1252 N ASN A 76 -11.712 1.639 -2.887 1.00 0.00 N ATOM 1253 CA ASN A 76 -11.151 2.814 -3.636 1.00 0.00 C ATOM 1254 C ASN A 76 -10.090 2.380 -4.663 1.00 0.00 C ATOM 1255 O ASN A 76 -9.668 3.189 -5.466 1.00 0.00 O ATOM 1256 CB ASN A 76 -10.530 3.806 -2.642 1.00 0.00 C ATOM 1257 CG ASN A 76 -11.611 4.321 -1.687 1.00 0.00 C ATOM 1258 OD1 ASN A 76 -11.398 4.386 -0.492 1.00 0.00 O ATOM 1259 ND2 ASN A 76 -12.769 4.692 -2.162 1.00 0.00 N ATOM 0 H ASN A 76 -11.122 1.288 -2.132 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.968 3.288 -4.179 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -9.733 3.321 -2.078 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.078 4.640 -3.179 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -13.493 5.036 -1.531 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -12.950 4.638 -3.164 1.00 0.00 H new ATOM 1266 N VAL A 77 -9.647 1.136 -4.664 1.00 0.00 N ATOM 1267 CA VAL A 77 -8.607 0.709 -5.671 1.00 0.00 C ATOM 1268 C VAL A 77 -9.153 -0.405 -6.576 1.00 0.00 C ATOM 1269 O VAL A 77 -8.825 -0.465 -7.743 1.00 0.00 O ATOM 1270 CB VAL A 77 -7.347 0.224 -4.953 1.00 0.00 C ATOM 1271 CG1 VAL A 77 -6.343 -0.285 -5.993 1.00 0.00 C ATOM 1272 CG2 VAL A 77 -6.722 1.394 -4.183 1.00 0.00 C ATOM 0 H VAL A 77 -9.955 0.407 -4.021 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.357 1.570 -6.291 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.603 -0.578 -4.260 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.441 -0.633 -5.489 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.786 -1.108 -6.554 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.087 0.524 -6.678 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.823 1.053 -3.669 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.461 2.190 -4.880 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.437 1.771 -3.452 1.00 0.00 H new ATOM 1282 N ASP A 78 -9.995 -1.273 -6.072 1.00 0.00 N ATOM 1283 CA ASP A 78 -10.560 -2.347 -6.950 1.00 0.00 C ATOM 1284 C ASP A 78 -11.076 -1.702 -8.233 1.00 0.00 C ATOM 1285 O ASP A 78 -11.977 -0.886 -8.213 1.00 0.00 O ATOM 1286 CB ASP A 78 -11.708 -3.039 -6.234 1.00 0.00 C ATOM 1287 CG ASP A 78 -12.268 -4.137 -7.127 1.00 0.00 C ATOM 1288 OD1 ASP A 78 -12.771 -3.808 -8.187 1.00 0.00 O ATOM 1289 OD2 ASP A 78 -12.178 -5.289 -6.735 1.00 0.00 O ATOM 0 H ASP A 78 -10.313 -1.286 -5.103 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.790 -3.083 -7.183 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.362 -3.462 -5.291 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.489 -2.318 -5.992 1.00 0.00 H new ATOM 1294 N THR A 79 -10.460 -2.002 -9.340 1.00 0.00 N ATOM 1295 CA THR A 79 -10.838 -1.356 -10.624 1.00 0.00 C ATOM 1296 C THR A 79 -11.908 -2.153 -11.389 1.00 0.00 C ATOM 1297 O THR A 79 -13.005 -1.669 -11.584 1.00 0.00 O ATOM 1298 CB THR A 79 -9.551 -1.206 -11.472 1.00 0.00 C ATOM 1299 OG1 THR A 79 -9.743 -1.781 -12.757 1.00 0.00 O ATOM 1300 CG2 THR A 79 -8.358 -1.902 -10.766 1.00 0.00 C ATOM 0 H THR A 79 -9.699 -2.678 -9.410 1.00 0.00 H new ATOM 0 HA THR A 79 -11.281 -0.382 -10.418 1.00 0.00 H new ATOM 0 HB THR A 79 -9.331 -0.144 -11.582 1.00 0.00 H new ATOM 0 HG1 THR A 79 -8.998 -2.385 -12.960 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.460 -1.789 -11.373 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.196 -1.445 -9.790 1.00 0.00 H new ATOM 0 HG23 THR A 79 -8.579 -2.962 -10.639 1.00 0.00 H new ATOM 1308 N ASN A 80 -11.606 -3.343 -11.849 1.00 0.00 N ATOM 1309 CA ASN A 80 -12.624 -4.135 -12.635 1.00 0.00 C ATOM 1310 C ASN A 80 -13.165 -5.295 -11.801 1.00 0.00 C ATOM 1311 O ASN A 80 -13.665 -6.274 -12.319 1.00 0.00 O ATOM 1312 CB ASN A 80 -11.999 -4.653 -13.933 1.00 0.00 C ATOM 1313 CG ASN A 80 -10.788 -5.537 -13.615 1.00 0.00 C ATOM 1314 OD1 ASN A 80 -10.961 -6.716 -13.076 1.00 0.00 O flip ATOM 1315 ND2 ASN A 80 -9.664 -5.149 -13.863 1.00 0.00 N flip ATOM 0 H ASN A 80 -10.706 -3.804 -11.719 1.00 0.00 H new ATOM 0 HA ASN A 80 -13.458 -3.479 -12.885 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -12.736 -5.222 -14.500 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -11.693 -3.815 -14.559 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.523 -4.230 -14.283 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.861 -5.742 -13.651 1.00 0.00 H new ATOM 1322 N GLN A 81 -13.113 -5.162 -10.511 1.00 0.00 N ATOM 1323 CA GLN A 81 -13.661 -6.205 -9.612 1.00 0.00 C ATOM 1324 C GLN A 81 -13.242 -7.602 -10.050 1.00 0.00 C ATOM 1325 O GLN A 81 -14.008 -8.343 -10.633 1.00 0.00 O ATOM 1326 CB GLN A 81 -15.196 -6.112 -9.586 1.00 0.00 C ATOM 1327 CG GLN A 81 -15.635 -4.970 -8.663 1.00 0.00 C ATOM 1328 CD GLN A 81 -15.512 -5.414 -7.202 1.00 0.00 C ATOM 1329 OE1 GLN A 81 -14.873 -6.517 -6.916 1.00 0.00 O flip ATOM 1330 NE2 GLN A 81 -16.003 -4.750 -6.310 1.00 0.00 N flip ATOM 0 H GLN A 81 -12.706 -4.358 -10.033 1.00 0.00 H new ATOM 0 HA GLN A 81 -13.259 -6.031 -8.614 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -15.576 -5.943 -10.594 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -15.620 -7.054 -9.240 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -15.018 -4.089 -8.839 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.665 -4.687 -8.882 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -16.502 -3.888 -6.531 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -15.916 -5.054 -5.340 1.00 0.00 H new ATOM 1339 N ASP A 82 -12.041 -7.974 -9.737 1.00 0.00 N ATOM 1340 CA ASP A 82 -11.556 -9.341 -10.091 1.00 0.00 C ATOM 1341 C ASP A 82 -10.635 -9.818 -8.972 1.00 0.00 C ATOM 1342 O ASP A 82 -9.829 -10.710 -9.146 1.00 0.00 O ATOM 1343 CB ASP A 82 -10.788 -9.296 -11.412 1.00 0.00 C ATOM 1344 CG ASP A 82 -10.333 -10.707 -11.786 1.00 0.00 C ATOM 1345 OD1 ASP A 82 -11.041 -11.644 -11.455 1.00 0.00 O ATOM 1346 OD2 ASP A 82 -9.284 -10.828 -12.396 1.00 0.00 O ATOM 0 H ASP A 82 -11.363 -7.390 -9.247 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.399 -10.023 -10.206 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.421 -8.886 -12.199 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.925 -8.636 -11.321 1.00 0.00 H new ATOM 1351 N ARG A 83 -10.742 -9.206 -7.824 1.00 0.00 N ATOM 1352 CA ARG A 83 -9.873 -9.586 -6.679 1.00 0.00 C ATOM 1353 C ARG A 83 -8.409 -9.422 -7.085 1.00 0.00 C ATOM 1354 O ARG A 83 -7.511 -9.661 -6.302 1.00 0.00 O ATOM 1355 CB ARG A 83 -10.136 -11.037 -6.273 1.00 0.00 C ATOM 1356 CG ARG A 83 -11.649 -11.288 -6.204 1.00 0.00 C ATOM 1357 CD ARG A 83 -11.907 -12.684 -5.631 1.00 0.00 C ATOM 1358 NE ARG A 83 -11.156 -13.694 -6.428 1.00 0.00 N ATOM 1359 CZ ARG A 83 -10.978 -14.897 -5.956 1.00 0.00 C ATOM 1360 NH1 ARG A 83 -11.454 -15.216 -4.783 1.00 0.00 N ATOM 1361 NH2 ARG A 83 -10.322 -15.782 -6.656 1.00 0.00 N ATOM 0 H ARG A 83 -11.401 -8.452 -7.631 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.095 -8.940 -5.830 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.677 -11.715 -6.993 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.679 -11.243 -5.305 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.126 -10.533 -5.580 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.088 -11.204 -7.198 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.595 -12.724 -4.587 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.974 -12.907 -5.654 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.781 -13.445 -7.343 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -11.966 -14.524 -4.235 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.314 -16.157 -4.415 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.949 -15.533 -7.572 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.183 -16.723 -6.287 1.00 0.00 H new ATOM 1375 N LEU A 84 -8.161 -9.005 -8.305 1.00 0.00 N ATOM 1376 CA LEU A 84 -6.759 -8.806 -8.787 1.00 0.00 C ATOM 1377 C LEU A 84 -6.650 -7.367 -9.305 1.00 0.00 C ATOM 1378 O LEU A 84 -7.524 -6.880 -9.995 1.00 0.00 O ATOM 1379 CB LEU A 84 -6.470 -9.814 -9.931 1.00 0.00 C ATOM 1380 CG LEU A 84 -5.551 -10.963 -9.454 1.00 0.00 C ATOM 1381 CD1 LEU A 84 -6.355 -11.966 -8.620 1.00 0.00 C ATOM 1382 CD2 LEU A 84 -4.970 -11.684 -10.676 1.00 0.00 C ATOM 0 H LEU A 84 -8.881 -8.792 -8.995 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.037 -8.972 -7.988 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.409 -10.227 -10.300 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.001 -9.294 -10.766 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.748 -10.548 -8.845 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.700 -12.771 -8.289 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.777 -11.461 -7.751 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.161 -12.380 -9.226 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.321 -12.495 -10.345 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.782 -12.091 -11.278 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.393 -10.979 -11.274 1.00 0.00 H new ATOM 1394 N VAL A 85 -5.592 -6.686 -8.957 1.00 0.00 N ATOM 1395 CA VAL A 85 -5.413 -5.263 -9.400 1.00 0.00 C ATOM 1396 C VAL A 85 -4.218 -5.175 -10.351 1.00 0.00 C ATOM 1397 O VAL A 85 -3.150 -5.670 -10.050 1.00 0.00 O ATOM 1398 CB VAL A 85 -5.143 -4.399 -8.163 1.00 0.00 C ATOM 1399 CG1 VAL A 85 -4.737 -2.987 -8.604 1.00 0.00 C ATOM 1400 CG2 VAL A 85 -6.411 -4.337 -7.303 1.00 0.00 C ATOM 0 H VAL A 85 -4.835 -7.053 -8.380 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.309 -4.914 -9.914 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.333 -4.835 -7.578 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.545 -2.372 -7.725 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.835 -3.041 -9.213 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.543 -2.543 -9.188 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.223 -3.723 -6.422 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -7.223 -3.900 -7.884 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.689 -5.344 -6.991 1.00 0.00 H new ATOM 1410 N THR A 86 -4.375 -4.547 -11.493 1.00 0.00 N ATOM 1411 CA THR A 86 -3.223 -4.440 -12.443 1.00 0.00 C ATOM 1412 C THR A 86 -2.501 -3.113 -12.217 1.00 0.00 C ATOM 1413 O THR A 86 -3.029 -2.203 -11.609 1.00 0.00 O ATOM 1414 CB THR A 86 -3.722 -4.524 -13.881 1.00 0.00 C ATOM 1415 OG1 THR A 86 -4.680 -3.502 -14.117 1.00 0.00 O ATOM 1416 CG2 THR A 86 -4.353 -5.896 -14.120 1.00 0.00 C ATOM 0 H THR A 86 -5.241 -4.109 -11.805 1.00 0.00 H new ATOM 0 HA THR A 86 -2.531 -5.263 -12.265 1.00 0.00 H new ATOM 0 HB THR A 86 -2.885 -4.389 -14.565 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.997 -3.558 -15.043 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.710 -5.958 -15.148 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.609 -6.674 -13.947 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.190 -6.036 -13.436 1.00 0.00 H new ATOM 1424 N LEU A 87 -1.300 -2.993 -12.706 1.00 0.00 N ATOM 1425 CA LEU A 87 -0.547 -1.721 -12.524 1.00 0.00 C ATOM 1426 C LEU A 87 -1.237 -0.640 -13.357 1.00 0.00 C ATOM 1427 O LEU A 87 -1.359 0.497 -12.952 1.00 0.00 O ATOM 1428 CB LEU A 87 0.913 -1.942 -12.996 1.00 0.00 C ATOM 1429 CG LEU A 87 1.720 -0.620 -13.127 1.00 0.00 C ATOM 1430 CD1 LEU A 87 1.266 0.214 -14.345 1.00 0.00 C ATOM 1431 CD2 LEU A 87 1.614 0.204 -11.831 1.00 0.00 C ATOM 0 H LEU A 87 -0.806 -3.720 -13.224 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.531 -1.409 -11.480 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.420 -2.601 -12.292 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.904 -2.452 -13.960 1.00 0.00 H new ATOM 0 HG LEU A 87 2.764 -0.886 -13.290 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.855 1.129 -14.399 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.410 -0.365 -15.257 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.211 0.468 -14.240 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.184 1.127 -11.939 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.569 0.444 -11.637 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.014 -0.375 -10.998 1.00 0.00 H new ATOM 1443 N GLU A 88 -1.696 -1.002 -14.518 1.00 0.00 N ATOM 1444 CA GLU A 88 -2.380 -0.026 -15.416 1.00 0.00 C ATOM 1445 C GLU A 88 -3.624 0.562 -14.749 1.00 0.00 C ATOM 1446 O GLU A 88 -3.668 1.733 -14.421 1.00 0.00 O ATOM 1447 CB GLU A 88 -2.801 -0.751 -16.696 1.00 0.00 C ATOM 1448 CG GLU A 88 -1.566 -1.352 -17.372 1.00 0.00 C ATOM 1449 CD GLU A 88 -0.651 -0.227 -17.859 1.00 0.00 C ATOM 1450 OE1 GLU A 88 -1.157 0.697 -18.474 1.00 0.00 O ATOM 1451 OE2 GLU A 88 0.541 -0.307 -17.608 1.00 0.00 O ATOM 0 H GLU A 88 -1.627 -1.948 -14.892 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.690 0.788 -15.637 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.519 -1.537 -16.462 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.298 -0.056 -17.373 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.031 -1.993 -16.671 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.867 -1.979 -18.211 1.00 0.00 H new ATOM 1458 N GLU A 89 -4.644 -0.224 -14.567 1.00 0.00 N ATOM 1459 CA GLU A 89 -5.884 0.313 -13.950 1.00 0.00 C ATOM 1460 C GLU A 89 -5.573 0.935 -12.579 1.00 0.00 C ATOM 1461 O GLU A 89 -6.234 1.858 -12.146 1.00 0.00 O ATOM 1462 CB GLU A 89 -6.908 -0.812 -13.781 1.00 0.00 C ATOM 1463 CG GLU A 89 -7.484 -1.246 -15.130 1.00 0.00 C ATOM 1464 CD GLU A 89 -8.275 -0.096 -15.757 1.00 0.00 C ATOM 1465 OE1 GLU A 89 -9.094 0.482 -15.062 1.00 0.00 O ATOM 1466 OE2 GLU A 89 -8.050 0.186 -16.922 1.00 0.00 O ATOM 0 H GLU A 89 -4.673 -1.212 -14.818 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.294 1.083 -14.603 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.437 -1.665 -13.293 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.715 -0.477 -13.129 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.678 -1.550 -15.798 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.131 -2.113 -14.996 1.00 0.00 H new ATOM 1473 N PHE A 90 -4.587 0.433 -11.884 1.00 0.00 N ATOM 1474 CA PHE A 90 -4.257 0.988 -10.538 1.00 0.00 C ATOM 1475 C PHE A 90 -3.841 2.464 -10.662 1.00 0.00 C ATOM 1476 O PHE A 90 -4.376 3.328 -9.991 1.00 0.00 O ATOM 1477 CB PHE A 90 -3.125 0.159 -9.934 1.00 0.00 C ATOM 1478 CG PHE A 90 -2.560 0.852 -8.716 1.00 0.00 C ATOM 1479 CD1 PHE A 90 -3.126 0.627 -7.457 1.00 0.00 C ATOM 1480 CD2 PHE A 90 -1.473 1.723 -8.850 1.00 0.00 C ATOM 1481 CE1 PHE A 90 -2.605 1.272 -6.329 1.00 0.00 C ATOM 1482 CE2 PHE A 90 -0.952 2.369 -7.724 1.00 0.00 C ATOM 1483 CZ PHE A 90 -1.517 2.143 -6.464 1.00 0.00 C ATOM 0 H PHE A 90 -3.995 -0.339 -12.191 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.131 0.938 -9.889 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -3.495 -0.829 -9.660 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -2.339 0.011 -10.674 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.965 -0.045 -7.355 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.036 1.896 -9.823 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -3.041 1.098 -5.357 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -0.114 3.042 -7.827 1.00 0.00 H new ATOM 0 HZ PHE A 90 -1.113 2.641 -5.595 1.00 0.00 H new ATOM 1493 N LEU A 91 -2.918 2.766 -11.533 1.00 0.00 N ATOM 1494 CA LEU A 91 -2.503 4.186 -11.713 1.00 0.00 C ATOM 1495 C LEU A 91 -3.747 5.040 -11.956 1.00 0.00 C ATOM 1496 O LEU A 91 -3.858 6.149 -11.474 1.00 0.00 O ATOM 1497 CB LEU A 91 -1.565 4.294 -12.926 1.00 0.00 C ATOM 1498 CG LEU A 91 -0.226 3.585 -12.618 1.00 0.00 C ATOM 1499 CD1 LEU A 91 0.675 3.630 -13.859 1.00 0.00 C ATOM 1500 CD2 LEU A 91 0.499 4.269 -11.434 1.00 0.00 C ATOM 0 H LEU A 91 -2.434 2.093 -12.127 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.983 4.535 -10.821 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.033 3.842 -13.801 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.385 5.342 -13.166 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.437 2.550 -12.348 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.619 3.130 -13.642 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.179 3.124 -14.687 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.868 4.668 -14.131 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.438 3.753 -11.236 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.703 5.310 -11.685 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.133 4.226 -10.547 1.00 0.00 H new ATOM 1512 N ALA A 92 -4.689 4.528 -12.705 1.00 0.00 N ATOM 1513 CA ALA A 92 -5.929 5.304 -12.984 1.00 0.00 C ATOM 1514 C ALA A 92 -6.610 5.690 -11.669 1.00 0.00 C ATOM 1515 O ALA A 92 -6.754 6.854 -11.354 1.00 0.00 O ATOM 1516 CB ALA A 92 -6.887 4.447 -13.814 1.00 0.00 C ATOM 0 H ALA A 92 -4.651 3.604 -13.135 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.669 6.208 -13.534 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.796 5.013 -14.020 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.409 4.174 -14.755 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.140 3.543 -13.260 1.00 0.00 H new ATOM 1522 N SER A 93 -7.037 4.719 -10.903 1.00 0.00 N ATOM 1523 CA SER A 93 -7.717 5.019 -9.609 1.00 0.00 C ATOM 1524 C SER A 93 -6.960 6.117 -8.858 1.00 0.00 C ATOM 1525 O SER A 93 -7.515 6.797 -8.018 1.00 0.00 O ATOM 1526 CB SER A 93 -7.752 3.754 -8.751 1.00 0.00 C ATOM 1527 OG SER A 93 -8.376 4.048 -7.509 1.00 0.00 O ATOM 0 H SER A 93 -6.943 3.727 -11.120 1.00 0.00 H new ATOM 0 HA SER A 93 -8.732 5.360 -9.811 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.298 2.965 -9.268 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.740 3.385 -8.585 1.00 0.00 H new ATOM 0 HG SER A 93 -8.985 3.319 -7.268 1.00 0.00 H new ATOM 1533 N THR A 94 -5.696 6.298 -9.156 1.00 0.00 N ATOM 1534 CA THR A 94 -4.903 7.359 -8.457 1.00 0.00 C ATOM 1535 C THR A 94 -4.818 8.610 -9.340 1.00 0.00 C ATOM 1536 O THR A 94 -4.916 9.722 -8.860 1.00 0.00 O ATOM 1537 CB THR A 94 -3.493 6.837 -8.167 1.00 0.00 C ATOM 1538 OG1 THR A 94 -2.800 6.645 -9.392 1.00 0.00 O ATOM 1539 CG2 THR A 94 -3.583 5.509 -7.415 1.00 0.00 C ATOM 0 H THR A 94 -5.180 5.759 -9.851 1.00 0.00 H new ATOM 0 HA THR A 94 -5.394 7.616 -7.519 1.00 0.00 H new ATOM 0 HB THR A 94 -2.956 7.561 -7.555 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.403 6.239 -10.049 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.579 5.139 -7.209 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.114 5.658 -6.475 1.00 0.00 H new ATOM 0 HG23 THR A 94 -4.120 4.782 -8.024 1.00 0.00 H new ATOM 1547 N GLN A 95 -4.628 8.445 -10.623 1.00 0.00 N ATOM 1548 CA GLN A 95 -4.529 9.628 -11.523 1.00 0.00 C ATOM 1549 C GLN A 95 -5.094 9.253 -12.901 1.00 0.00 C ATOM 1550 O GLN A 95 -4.654 8.306 -13.521 1.00 0.00 O ATOM 1551 CB GLN A 95 -3.042 10.023 -11.628 1.00 0.00 C ATOM 1552 CG GLN A 95 -2.744 10.661 -12.988 1.00 0.00 C ATOM 1553 CD GLN A 95 -1.404 11.399 -12.933 1.00 0.00 C ATOM 1554 OE1 GLN A 95 -0.501 11.023 -12.069 1.00 0.00 O flip ATOM 1555 NE2 GLN A 95 -1.177 12.327 -13.684 1.00 0.00 N flip ATOM 0 H GLN A 95 -4.537 7.540 -11.085 1.00 0.00 H new ATOM 0 HA GLN A 95 -5.100 10.471 -11.134 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.789 10.722 -10.830 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -2.416 9.141 -11.490 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.715 9.893 -13.761 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -3.541 11.355 -13.257 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.883 12.621 -14.359 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.281 12.812 -13.639 1.00 0.00 H new ATOM 1564 N ARG A 96 -6.056 9.996 -13.392 1.00 0.00 N ATOM 1565 CA ARG A 96 -6.641 9.693 -14.735 1.00 0.00 C ATOM 1566 C ARG A 96 -6.904 11.009 -15.472 1.00 0.00 C ATOM 1567 O ARG A 96 -7.717 11.078 -16.371 1.00 0.00 O ATOM 1568 CB ARG A 96 -7.963 8.935 -14.561 1.00 0.00 C ATOM 1569 CG ARG A 96 -8.576 8.603 -15.950 1.00 0.00 C ATOM 1570 CD ARG A 96 -9.038 7.143 -15.988 1.00 0.00 C ATOM 1571 NE ARG A 96 -9.859 6.851 -14.781 1.00 0.00 N ATOM 1572 CZ ARG A 96 -10.598 5.777 -14.740 1.00 0.00 C ATOM 1573 NH1 ARG A 96 -10.617 4.959 -15.757 1.00 0.00 N ATOM 1574 NH2 ARG A 96 -11.318 5.520 -13.682 1.00 0.00 N ATOM 0 H ARG A 96 -6.463 10.803 -12.918 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.946 9.079 -15.308 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.793 8.016 -14.001 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -8.662 9.537 -13.981 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -9.419 9.264 -16.151 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.838 8.779 -16.733 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -9.620 6.958 -16.891 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -8.175 6.478 -16.024 1.00 0.00 H new ATOM 0 HE ARG A 96 -9.844 7.490 -13.986 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -10.054 5.160 -16.584 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -11.195 4.119 -15.725 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -11.303 6.159 -12.887 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -11.896 4.680 -13.650 1.00 0.00 H new ATOM 1588 N LYS A 97 -6.222 12.056 -15.091 1.00 0.00 N ATOM 1589 CA LYS A 97 -6.429 13.373 -15.763 1.00 0.00 C ATOM 1590 C LYS A 97 -7.917 13.729 -15.747 1.00 0.00 C ATOM 1591 O LYS A 97 -8.364 14.597 -16.470 1.00 0.00 O ATOM 1592 CB LYS A 97 -5.939 13.298 -17.213 1.00 0.00 C ATOM 1593 CG LYS A 97 -4.448 12.957 -17.237 1.00 0.00 C ATOM 1594 CD LYS A 97 -3.916 13.097 -18.665 1.00 0.00 C ATOM 1595 CE LYS A 97 -2.460 12.630 -18.716 1.00 0.00 C ATOM 1596 NZ LYS A 97 -2.362 11.253 -18.154 1.00 0.00 N ATOM 0 H LYS A 97 -5.529 12.057 -14.342 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.865 14.139 -15.230 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.503 12.542 -17.759 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.112 14.250 -17.715 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.901 13.621 -16.567 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.291 11.940 -16.877 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.523 12.505 -19.350 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.988 14.135 -18.991 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.099 12.642 -19.744 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.828 13.312 -18.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.537 10.769 -18.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.255 11.306 -17.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.225 10.721 -18.386 1.00 0.00 H new ATOM 1610 N GLU A 98 -8.688 13.068 -14.926 1.00 0.00 N ATOM 1611 CA GLU A 98 -10.146 13.373 -14.868 1.00 0.00 C ATOM 1612 C GLU A 98 -10.360 14.714 -14.162 1.00 0.00 C ATOM 1613 O GLU A 98 -10.939 14.778 -13.096 1.00 0.00 O ATOM 1614 CB GLU A 98 -10.867 12.267 -14.094 1.00 0.00 C ATOM 1615 CG GLU A 98 -12.379 12.422 -14.271 1.00 0.00 C ATOM 1616 CD GLU A 98 -12.768 12.038 -15.700 1.00 0.00 C ATOM 1617 OE1 GLU A 98 -12.474 10.921 -16.092 1.00 0.00 O ATOM 1618 OE2 GLU A 98 -13.352 12.867 -16.378 1.00 0.00 O ATOM 0 H GLU A 98 -8.372 12.332 -14.295 1.00 0.00 H new ATOM 0 HA GLU A 98 -10.546 13.429 -15.880 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -10.547 11.289 -14.453 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -10.607 12.319 -13.037 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -12.906 11.789 -13.557 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -12.676 13.450 -14.066 1.00 0.00 H new ATOM 1625 N PHE A 99 -9.894 15.783 -14.746 1.00 0.00 N ATOM 1626 CA PHE A 99 -10.072 17.118 -14.106 1.00 0.00 C ATOM 1627 C PHE A 99 -9.682 18.214 -15.099 1.00 0.00 C ATOM 1628 O PHE A 99 -8.710 18.023 -15.812 1.00 0.00 O ATOM 1629 CB PHE A 99 -9.180 17.212 -12.867 1.00 0.00 C ATOM 1630 CG PHE A 99 -9.456 18.511 -12.144 1.00 0.00 C ATOM 1631 CD1 PHE A 99 -8.735 19.667 -12.476 1.00 0.00 C ATOM 1632 CD2 PHE A 99 -10.435 18.564 -11.142 1.00 0.00 C ATOM 1633 CE1 PHE A 99 -8.992 20.870 -11.807 1.00 0.00 C ATOM 1634 CE2 PHE A 99 -10.690 19.768 -10.474 1.00 0.00 C ATOM 1635 CZ PHE A 99 -9.968 20.920 -10.806 1.00 0.00 C ATOM 1636 OXT PHE A 99 -10.360 19.228 -15.128 1.00 0.00 O ATOM 0 H PHE A 99 -9.398 15.791 -15.637 1.00 0.00 H new ATOM 0 HA PHE A 99 -11.114 17.246 -13.814 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -9.370 16.367 -12.205 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -8.130 17.161 -13.157 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.981 19.629 -13.248 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -10.993 17.676 -10.885 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -8.436 21.760 -12.064 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -11.444 19.808 -9.702 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.164 21.848 -10.289 1.00 0.00 H new TER 1646 PHE A 99