USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 800 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: B 23 ASN : amide:sc= -4.62! C(o=-12!,f=-20!) USER MOD Set 1.2: B 26 GLN : amide:sc= -4.78! C(o=-12!,f=-14!) USER MOD Set 1.3: B 55 GLN : amide:sc= -2.23 X(o=-12,f=-12) USER MOD Set 2.1: A 23 ASN : amide:sc= -1.08 K(o=-2.5,f=-10!) USER MOD Set 2.2: A 55 GLN : amide:sc= -1.37 K(o=-2.5,f=-5.4!) USER MOD Set 3.1: A 14 TYR OH : rot 180:sc= -0.315 USER MOD Set 3.2: A 18 HIS : no HD1:sc= -22.8! C(o=-23!,f=-25!) USER MOD Single : A 6 ASN : amide:sc= 0.00816 X(o=0.0082,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.719! C(o=-1.8!,f=-0.72!) USER MOD Single : A 10 GLN : amide:sc= -2.13 K(o=-2.1,f=-8.8!) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -1.17 X(o=-1.2,f=-1.4) USER MOD Single : A 26 GLN : amide:sc= -1.02 K(o=-1,f=-4.8!) USER MOD Single : A 28 ASN : amide:sc= -1.98 K(o=-2,f=-5.9!) USER MOD Single : A 32 GLN : amide:sc= -0.738 K(o=-0.74,f=-4.6!) USER MOD Single : A 33 SER OG : rot 21:sc= -0.462 USER MOD Single : A 35 LYS NZ :NH3+ -114:sc= 0.537 (180deg=-0.393) USER MOD Single : A 39 SER OG : rot -16:sc= 0.206 USER MOD Single : A 40 GLN : amide:sc= -0.0923 X(o=-0.092,f=0) USER MOD Single : A 41 SER OG : rot 108:sc= -1.19! USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.815 K(o=-0.81,f=-8.8!) USER MOD Single : B 6 ASN : amide:sc= -2.57 K(o=-2.6,f=-7.7!) USER MOD Single : B 7 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0127) USER MOD Single : B 10 SER OG : rot -84:sc= -1.02! USER MOD Single : B 18 THR OG1 : rot -94:sc= 1.24 USER MOD Single : B 21 ASN : amide:sc= -2.27! C(o=-2.3!,f=-3.6!) USER MOD Single : B 27 LYS NZ :NH3+ -168:sc= 0.207 (180deg=0.0798) USER MOD Single : B 28 LYS NZ :NH3+ -114:sc= 0.169 (180deg=-0.0961) USER MOD Single : B 33 SER OG : rot -22:sc= -1.73! USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 41 SER OG : rot -142:sc= 0.184 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0514) USER MOD Single : B 52 ASN : amide:sc= -4.68! C(o=-4.7!,f=-9.1!) USER MOD ----------------------------------------------------------------- ATOM 67 N PHE A 5 3.427 -14.545 6.398 1.00 0.00 N ATOM 68 CA PHE A 5 3.765 -13.649 5.244 1.00 0.00 C ATOM 69 C PHE A 5 2.509 -12.989 4.647 1.00 0.00 C ATOM 70 O PHE A 5 2.604 -11.911 4.094 1.00 0.00 O ATOM 71 CB PHE A 5 4.458 -14.533 4.187 1.00 0.00 C ATOM 72 CG PHE A 5 5.796 -15.069 4.686 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.488 -14.442 5.739 1.00 0.00 C ATOM 74 CD2 PHE A 5 6.348 -16.203 4.076 1.00 0.00 C ATOM 75 CE1 PHE A 5 7.716 -14.948 6.173 1.00 0.00 C ATOM 76 CE2 PHE A 5 7.578 -16.708 4.513 1.00 0.00 C ATOM 77 CZ PHE A 5 8.261 -16.081 5.562 1.00 0.00 C ATOM 0 HA PHE A 5 4.413 -12.838 5.576 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.806 -15.367 3.927 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.615 -13.955 3.276 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.069 -13.567 6.213 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.823 -16.689 3.267 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.244 -14.464 6.981 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.001 -17.582 4.040 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.209 -16.473 5.899 1.00 0.00 H new ATOM 87 N ASN A 6 1.343 -13.623 4.741 1.00 0.00 N ATOM 88 CA ASN A 6 0.088 -13.017 4.160 1.00 0.00 C ATOM 89 C ASN A 6 -0.104 -11.575 4.667 1.00 0.00 C ATOM 90 O ASN A 6 -0.281 -10.667 3.873 1.00 0.00 O ATOM 91 CB ASN A 6 -1.066 -13.919 4.632 1.00 0.00 C ATOM 92 CG ASN A 6 -2.381 -13.465 3.985 1.00 0.00 C ATOM 93 OD1 ASN A 6 -3.198 -12.832 4.625 1.00 0.00 O ATOM 94 ND2 ASN A 6 -2.625 -13.760 2.735 1.00 0.00 N ATOM 0 H ASN A 6 1.213 -14.528 5.193 1.00 0.00 H new ATOM 0 HA ASN A 6 0.134 -12.962 3.072 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.860 -14.956 4.368 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -1.151 -13.877 5.718 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -3.498 -13.459 2.301 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.943 -14.291 2.194 1.00 0.00 H new ATOM 101 N LYS A 7 -0.029 -11.353 5.971 1.00 0.00 N ATOM 102 CA LYS A 7 -0.168 -9.957 6.498 1.00 0.00 C ATOM 103 C LYS A 7 1.177 -9.221 6.479 1.00 0.00 C ATOM 104 O LYS A 7 1.184 -8.027 6.350 1.00 0.00 O ATOM 105 CB LYS A 7 -0.731 -10.049 7.907 1.00 0.00 C ATOM 106 CG LYS A 7 -0.698 -8.666 8.555 1.00 0.00 C ATOM 107 CD LYS A 7 -1.262 -8.776 9.949 1.00 0.00 C ATOM 108 CE LYS A 7 -1.087 -7.443 10.691 1.00 0.00 C ATOM 109 NZ LYS A 7 -1.669 -7.664 12.048 1.00 0.00 N ATOM 0 H LYS A 7 0.121 -12.073 6.678 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.843 -9.381 5.865 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.753 -10.426 7.879 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.148 -10.755 8.499 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.324 -8.288 8.589 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.280 -7.958 7.966 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.318 -9.041 9.903 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.757 -9.574 10.493 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.035 -7.165 10.755 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.600 -6.634 10.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.583 -6.792 12.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.673 -7.920 11.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.157 -8.434 12.524 1.00 0.00 H new ATOM 123 N GLU A 8 2.309 -9.904 6.577 1.00 0.00 N ATOM 124 CA GLU A 8 3.627 -9.170 6.503 1.00 0.00 C ATOM 125 C GLU A 8 3.673 -8.443 5.162 1.00 0.00 C ATOM 126 O GLU A 8 4.040 -7.291 5.098 1.00 0.00 O ATOM 127 CB GLU A 8 4.742 -10.205 6.554 1.00 0.00 C ATOM 128 CG GLU A 8 5.056 -10.569 8.003 1.00 0.00 C ATOM 129 CD GLU A 8 6.012 -11.768 8.049 1.00 0.00 C ATOM 130 OE1 GLU A 8 7.131 -11.638 7.571 1.00 0.00 O ATOM 131 OE2 GLU A 8 5.614 -12.796 8.566 1.00 0.00 O ATOM 0 H GLU A 8 2.376 -10.914 6.702 1.00 0.00 H new ATOM 0 HA GLU A 8 3.740 -8.460 7.323 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.445 -11.098 6.003 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.635 -9.813 6.068 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.505 -9.716 8.511 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.135 -10.808 8.534 1.00 0.00 H new ATOM 138 N GLN A 9 3.223 -9.105 4.109 1.00 0.00 N ATOM 139 CA GLN A 9 3.138 -8.452 2.777 1.00 0.00 C ATOM 140 C GLN A 9 2.107 -7.314 2.872 1.00 0.00 C ATOM 141 O GLN A 9 2.321 -6.241 2.382 1.00 0.00 O ATOM 142 CB GLN A 9 2.622 -9.504 1.791 1.00 0.00 C ATOM 143 CG GLN A 9 3.638 -10.605 1.514 1.00 0.00 C ATOM 144 CD GLN A 9 3.000 -11.648 0.589 1.00 0.00 C ATOM 145 OE1 GLN A 9 2.351 -12.660 1.101 1.00 0.00 O flip ATOM 146 NE2 GLN A 9 3.087 -11.538 -0.617 1.00 0.00 N flip ATOM 0 H GLN A 9 2.912 -10.076 4.130 1.00 0.00 H new ATOM 0 HA GLN A 9 4.103 -8.059 2.458 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.710 -9.950 2.187 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.357 -9.016 0.853 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.531 -10.186 1.050 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.953 -11.071 2.448 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.592 -10.750 -1.022 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.655 -12.234 -1.225 1.00 0.00 H new ATOM 155 N GLN A 10 0.994 -7.573 3.547 1.00 0.00 N ATOM 156 CA GLN A 10 -0.090 -6.541 3.753 1.00 0.00 C ATOM 157 C GLN A 10 0.460 -5.340 4.542 1.00 0.00 C ATOM 158 O GLN A 10 0.211 -4.204 4.189 1.00 0.00 O ATOM 159 CB GLN A 10 -1.166 -7.284 4.559 1.00 0.00 C ATOM 160 CG GLN A 10 -2.541 -7.116 3.906 1.00 0.00 C ATOM 161 CD GLN A 10 -3.032 -8.448 3.309 1.00 0.00 C ATOM 162 OE1 GLN A 10 -3.463 -8.494 2.181 1.00 0.00 O ATOM 163 NE2 GLN A 10 -3.020 -9.537 4.033 1.00 0.00 N ATOM 0 H GLN A 10 0.791 -8.478 3.972 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.479 -6.140 2.817 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.914 -8.343 4.622 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.193 -6.901 5.579 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.258 -6.758 4.645 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.486 -6.360 3.123 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.659 -9.512 4.987 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.372 -10.412 3.644 1.00 0.00 H new ATOM 172 N ASN A 11 1.217 -5.597 5.592 1.00 0.00 N ATOM 173 CA ASN A 11 1.815 -4.499 6.414 1.00 0.00 C ATOM 174 C ASN A 11 2.936 -3.819 5.630 1.00 0.00 C ATOM 175 O ASN A 11 2.990 -2.616 5.556 1.00 0.00 O ATOM 176 CB ASN A 11 2.396 -5.178 7.664 1.00 0.00 C ATOM 177 CG ASN A 11 2.628 -4.126 8.754 1.00 0.00 C ATOM 178 OD1 ASN A 11 1.693 -3.667 9.379 1.00 0.00 O ATOM 179 ND2 ASN A 11 3.844 -3.717 9.005 1.00 0.00 N ATOM 0 H ASN A 11 1.445 -6.538 5.914 1.00 0.00 H new ATOM 0 HA ASN A 11 1.076 -3.741 6.672 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.712 -5.947 8.025 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.334 -5.676 7.418 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.007 -3.013 9.725 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.630 -4.102 8.481 1.00 0.00 H new ATOM 186 N ALA A 12 3.820 -4.600 5.030 1.00 0.00 N ATOM 187 CA ALA A 12 4.934 -4.011 4.220 1.00 0.00 C ATOM 188 C ALA A 12 4.333 -3.236 3.045 1.00 0.00 C ATOM 189 O ALA A 12 4.736 -2.129 2.773 1.00 0.00 O ATOM 190 CB ALA A 12 5.770 -5.188 3.719 1.00 0.00 C ATOM 0 H ALA A 12 3.811 -5.619 5.071 1.00 0.00 H new ATOM 0 HA ALA A 12 5.550 -3.324 4.800 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.601 -4.815 3.119 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.159 -5.747 4.570 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.148 -5.843 3.109 1.00 0.00 H new ATOM 196 N PHE A 13 3.327 -3.803 2.394 1.00 0.00 N ATOM 197 CA PHE A 13 2.626 -3.099 1.269 1.00 0.00 C ATOM 198 C PHE A 13 2.080 -1.782 1.805 1.00 0.00 C ATOM 199 O PHE A 13 2.404 -0.718 1.315 1.00 0.00 O ATOM 200 CB PHE A 13 1.455 -4.027 0.866 1.00 0.00 C ATOM 201 CG PHE A 13 0.517 -3.316 -0.072 1.00 0.00 C ATOM 202 CD1 PHE A 13 1.009 -2.793 -1.262 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.846 -3.213 0.230 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.149 -2.166 -2.151 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.710 -2.597 -0.667 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.213 -2.075 -1.855 1.00 0.00 C ATOM 0 H PHE A 13 2.964 -4.733 2.602 1.00 0.00 H new ATOM 0 HA PHE A 13 3.279 -2.893 0.421 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.844 -4.926 0.388 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.914 -4.348 1.757 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.061 -2.875 -1.494 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.226 -3.612 1.159 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.532 -1.749 -3.071 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.764 -2.524 -0.442 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.884 -1.596 -2.553 1.00 0.00 H new ATOM 216 N TYR A 14 1.272 -1.883 2.838 1.00 0.00 N ATOM 217 CA TYR A 14 0.673 -0.690 3.493 1.00 0.00 C ATOM 218 C TYR A 14 1.762 0.333 3.848 1.00 0.00 C ATOM 219 O TYR A 14 1.702 1.464 3.420 1.00 0.00 O ATOM 220 CB TYR A 14 0.033 -1.281 4.748 1.00 0.00 C ATOM 221 CG TYR A 14 -0.612 -0.215 5.578 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.889 0.249 5.256 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.067 0.290 6.689 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.483 1.217 6.045 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.527 1.266 7.486 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.801 1.734 7.168 1.00 0.00 C ATOM 227 OH TYR A 14 -2.393 2.708 7.949 1.00 0.00 O ATOM 0 H TYR A 14 1.001 -2.771 3.260 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.038 -0.153 2.865 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.711 -2.025 4.464 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.791 -1.797 5.338 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.410 -0.146 4.396 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.054 -0.077 6.931 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.471 1.578 5.802 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.003 1.658 8.345 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.789 2.952 8.681 1.00 0.00 H new ATOM 237 N GLU A 15 2.772 -0.072 4.594 1.00 0.00 N ATOM 238 CA GLU A 15 3.876 0.876 4.964 1.00 0.00 C ATOM 239 C GLU A 15 4.553 1.427 3.697 1.00 0.00 C ATOM 240 O GLU A 15 4.764 2.614 3.608 1.00 0.00 O ATOM 241 CB GLU A 15 4.860 0.068 5.816 1.00 0.00 C ATOM 242 CG GLU A 15 4.224 -0.321 7.169 1.00 0.00 C ATOM 243 CD GLU A 15 3.898 0.938 7.990 1.00 0.00 C ATOM 244 OE1 GLU A 15 4.817 1.687 8.290 1.00 0.00 O ATOM 245 OE2 GLU A 15 2.738 1.122 8.316 1.00 0.00 O ATOM 0 H GLU A 15 2.877 -1.018 4.961 1.00 0.00 H new ATOM 0 HA GLU A 15 3.502 1.738 5.517 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.160 -0.831 5.278 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.764 0.653 5.989 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.315 -0.897 6.998 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.906 -0.961 7.728 1.00 0.00 H new ATOM 252 N ILE A 16 4.839 0.591 2.696 1.00 0.00 N ATOM 253 CA ILE A 16 5.446 1.114 1.405 1.00 0.00 C ATOM 254 C ILE A 16 4.558 2.251 0.861 1.00 0.00 C ATOM 255 O ILE A 16 5.041 3.314 0.502 1.00 0.00 O ATOM 256 CB ILE A 16 5.496 -0.108 0.446 1.00 0.00 C ATOM 257 CG1 ILE A 16 6.862 -0.786 0.604 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.296 0.299 -1.028 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.695 -2.299 0.629 1.00 0.00 C ATOM 0 H ILE A 16 4.679 -0.416 2.720 1.00 0.00 H new ATOM 0 HA ILE A 16 6.445 1.530 1.532 1.00 0.00 H new ATOM 0 HB ILE A 16 4.684 -0.785 0.709 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.517 -0.498 -0.218 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.339 -0.450 1.524 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.339 -0.588 -1.660 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.325 0.780 -1.144 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.083 0.993 -1.324 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.671 -2.771 0.742 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.057 -2.581 1.467 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.237 -2.630 -0.303 1.00 0.00 H new ATOM 271 N LEU A 17 3.263 2.026 0.835 1.00 0.00 N ATOM 272 CA LEU A 17 2.289 3.078 0.358 1.00 0.00 C ATOM 273 C LEU A 17 2.254 4.280 1.327 1.00 0.00 C ATOM 274 O LEU A 17 2.199 5.420 0.902 1.00 0.00 O ATOM 275 CB LEU A 17 0.913 2.395 0.364 1.00 0.00 C ATOM 276 CG LEU A 17 0.880 1.251 -0.650 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.118 0.081 -0.085 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.121 1.654 -1.877 1.00 0.00 C ATOM 0 H LEU A 17 2.830 1.150 1.126 1.00 0.00 H new ATOM 0 HA LEU A 17 2.573 3.454 -0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.695 2.012 1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.138 3.123 0.125 1.00 0.00 H new ATOM 0 HG LEU A 17 1.916 1.000 -0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.100 -0.728 -0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.605 -0.264 0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.903 0.387 0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.109 0.826 -2.586 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.902 1.912 -1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.603 2.518 -2.336 1.00 0.00 H new ATOM 290 N HIS A 18 2.261 4.025 2.624 1.00 0.00 N ATOM 291 CA HIS A 18 2.194 5.136 3.639 1.00 0.00 C ATOM 292 C HIS A 18 3.520 5.920 3.763 1.00 0.00 C ATOM 293 O HIS A 18 3.511 7.036 4.255 1.00 0.00 O ATOM 294 CB HIS A 18 1.859 4.467 4.984 1.00 0.00 C ATOM 295 CG HIS A 18 0.393 4.153 5.040 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.563 5.103 5.381 1.00 0.00 N ATOM 297 CD2 HIS A 18 -0.317 3.024 4.747 1.00 0.00 C ATOM 298 CE1 HIS A 18 -1.760 4.502 5.261 1.00 0.00 C ATOM 299 NE2 HIS A 18 -1.648 3.280 4.877 1.00 0.00 N ATOM 0 H HIS A 18 2.311 3.088 3.023 1.00 0.00 H new ATOM 0 HA HIS A 18 1.444 5.865 3.332 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.441 3.553 5.102 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.131 5.127 5.808 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.111 2.076 4.457 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.703 4.988 5.463 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.411 2.626 4.703 1.00 0.00 H new ATOM 307 N LEU A 19 4.652 5.354 3.353 1.00 0.00 N ATOM 308 CA LEU A 19 5.965 6.091 3.484 1.00 0.00 C ATOM 309 C LEU A 19 5.896 7.440 2.737 1.00 0.00 C ATOM 310 O LEU A 19 5.638 7.469 1.544 1.00 0.00 O ATOM 311 CB LEU A 19 7.044 5.178 2.867 1.00 0.00 C ATOM 312 CG LEU A 19 7.458 4.076 3.863 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.430 3.110 3.183 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.135 4.686 5.098 1.00 0.00 C ATOM 0 H LEU A 19 4.718 4.424 2.939 1.00 0.00 H new ATOM 0 HA LEU A 19 6.195 6.312 4.526 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.664 4.724 1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.915 5.772 2.590 1.00 0.00 H new ATOM 0 HG LEU A 19 6.562 3.543 4.180 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.722 2.332 3.888 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.946 2.654 2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.316 3.655 2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.419 3.891 5.787 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.025 5.235 4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.442 5.366 5.594 1.00 0.00 H new ATOM 326 N PRO A 20 6.104 8.521 3.479 1.00 0.00 N ATOM 327 CA PRO A 20 6.033 9.902 2.898 1.00 0.00 C ATOM 328 C PRO A 20 7.116 10.189 1.836 1.00 0.00 C ATOM 329 O PRO A 20 6.940 11.094 1.035 1.00 0.00 O ATOM 330 CB PRO A 20 6.210 10.813 4.115 1.00 0.00 C ATOM 331 CG PRO A 20 6.935 9.974 5.112 1.00 0.00 C ATOM 332 CD PRO A 20 6.426 8.574 4.920 1.00 0.00 C ATOM 0 HA PRO A 20 5.096 10.053 2.362 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.779 11.707 3.861 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.248 11.147 4.503 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.012 10.023 4.954 1.00 0.00 H new ATOM 0 HG3 PRO A 20 6.746 10.323 6.127 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.178 7.833 5.191 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.548 8.378 5.535 1.00 0.00 H new ATOM 340 N ASN A 21 8.220 9.457 1.806 1.00 0.00 N ATOM 341 CA ASN A 21 9.273 9.739 0.778 1.00 0.00 C ATOM 342 C ASN A 21 9.318 8.648 -0.311 1.00 0.00 C ATOM 343 O ASN A 21 10.175 8.686 -1.180 1.00 0.00 O ATOM 344 CB ASN A 21 10.590 9.837 1.561 1.00 0.00 C ATOM 345 CG ASN A 21 10.563 11.089 2.451 1.00 0.00 C ATOM 346 OD1 ASN A 21 10.389 12.189 1.966 1.00 0.00 O ATOM 347 ND2 ASN A 21 10.724 10.970 3.743 1.00 0.00 N ATOM 0 H ASN A 21 8.428 8.688 2.443 1.00 0.00 H new ATOM 0 HA ASN A 21 9.069 10.662 0.235 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.729 8.946 2.173 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.433 9.886 0.872 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.703 11.798 4.338 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.870 10.049 4.156 1.00 0.00 H new ATOM 354 N LEU A 22 8.378 7.704 -0.314 1.00 0.00 N ATOM 355 CA LEU A 22 8.360 6.667 -1.396 1.00 0.00 C ATOM 356 C LEU A 22 7.551 7.200 -2.577 1.00 0.00 C ATOM 357 O LEU A 22 6.524 7.840 -2.405 1.00 0.00 O ATOM 358 CB LEU A 22 7.707 5.389 -0.818 1.00 0.00 C ATOM 359 CG LEU A 22 8.717 4.529 -0.017 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.327 3.054 -0.128 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.138 4.679 -0.561 1.00 0.00 C ATOM 0 H LEU A 22 7.637 7.618 0.382 1.00 0.00 H new ATOM 0 HA LEU A 22 9.368 6.437 -1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.876 5.668 -0.170 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.291 4.795 -1.632 1.00 0.00 H new ATOM 0 HG LEU A 22 8.692 4.870 1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.036 2.447 0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.325 2.911 0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.341 2.752 -1.175 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.819 4.062 0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.164 4.360 -1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.445 5.723 -0.494 1.00 0.00 H new ATOM 373 N ASN A 23 8.016 6.934 -3.768 1.00 0.00 N ATOM 374 CA ASN A 23 7.303 7.418 -5.000 1.00 0.00 C ATOM 375 C ASN A 23 6.757 6.238 -5.803 1.00 0.00 C ATOM 376 O ASN A 23 6.863 5.099 -5.393 1.00 0.00 O ATOM 377 CB ASN A 23 8.328 8.228 -5.828 1.00 0.00 C ATOM 378 CG ASN A 23 9.682 7.502 -5.919 1.00 0.00 C ATOM 379 OD1 ASN A 23 9.822 6.557 -6.661 1.00 0.00 O ATOM 380 ND2 ASN A 23 10.683 7.903 -5.180 1.00 0.00 N ATOM 0 H ASN A 23 8.865 6.399 -3.948 1.00 0.00 H new ATOM 0 HA ASN A 23 6.450 8.042 -4.736 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.936 8.395 -6.831 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.470 9.209 -5.374 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.580 7.419 -5.230 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.567 8.700 -4.554 1.00 0.00 H new ATOM 387 N GLU A 24 6.166 6.514 -6.943 1.00 0.00 N ATOM 388 CA GLU A 24 5.593 5.419 -7.798 1.00 0.00 C ATOM 389 C GLU A 24 6.686 4.414 -8.196 1.00 0.00 C ATOM 390 O GLU A 24 6.425 3.239 -8.284 1.00 0.00 O ATOM 391 CB GLU A 24 5.010 6.120 -9.036 1.00 0.00 C ATOM 392 CG GLU A 24 4.127 5.140 -9.829 1.00 0.00 C ATOM 393 CD GLU A 24 2.674 5.639 -9.860 1.00 0.00 C ATOM 394 OE1 GLU A 24 2.426 6.654 -10.495 1.00 0.00 O ATOM 395 OE2 GLU A 24 1.835 4.998 -9.251 1.00 0.00 O ATOM 0 H GLU A 24 6.055 7.455 -7.321 1.00 0.00 H new ATOM 0 HA GLU A 24 4.829 4.850 -7.268 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.423 6.986 -8.731 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.817 6.489 -9.669 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.506 5.039 -10.846 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.170 4.151 -9.373 1.00 0.00 H new ATOM 402 N GLU A 25 7.906 4.865 -8.416 1.00 0.00 N ATOM 403 CA GLU A 25 9.009 3.911 -8.791 1.00 0.00 C ATOM 404 C GLU A 25 9.399 3.024 -7.586 1.00 0.00 C ATOM 405 O GLU A 25 9.521 1.822 -7.724 1.00 0.00 O ATOM 406 CB GLU A 25 10.188 4.800 -9.221 1.00 0.00 C ATOM 407 CG GLU A 25 11.341 3.932 -9.743 1.00 0.00 C ATOM 408 CD GLU A 25 12.583 4.803 -9.977 1.00 0.00 C ATOM 409 OE1 GLU A 25 13.158 5.260 -8.999 1.00 0.00 O ATOM 410 OE2 GLU A 25 12.936 4.997 -11.127 1.00 0.00 O ATOM 0 H GLU A 25 8.184 5.844 -8.353 1.00 0.00 H new ATOM 0 HA GLU A 25 8.704 3.232 -9.588 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.866 5.495 -9.997 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.528 5.400 -8.377 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.568 3.144 -9.026 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.048 3.443 -10.672 1.00 0.00 H new ATOM 417 N GLN A 26 9.596 3.611 -6.415 1.00 0.00 N ATOM 418 CA GLN A 26 9.989 2.801 -5.201 1.00 0.00 C ATOM 419 C GLN A 26 8.798 2.025 -4.628 1.00 0.00 C ATOM 420 O GLN A 26 8.888 0.828 -4.430 1.00 0.00 O ATOM 421 CB GLN A 26 10.527 3.809 -4.169 1.00 0.00 C ATOM 422 CG GLN A 26 11.795 4.508 -4.701 1.00 0.00 C ATOM 423 CD GLN A 26 12.831 3.481 -5.195 1.00 0.00 C ATOM 424 OE1 GLN A 26 13.054 2.464 -4.573 1.00 0.00 O ATOM 425 NE2 GLN A 26 13.481 3.710 -6.301 1.00 0.00 N ATOM 0 H GLN A 26 9.502 4.613 -6.249 1.00 0.00 H new ATOM 0 HA GLN A 26 10.739 2.055 -5.464 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.762 4.553 -3.946 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.754 3.295 -3.235 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.528 5.180 -5.516 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.233 5.121 -3.913 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.301 4.562 -6.831 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.170 3.037 -6.636 1.00 0.00 H new ATOM 434 N ARG A 27 7.693 2.691 -4.360 1.00 0.00 N ATOM 435 CA ARG A 27 6.491 1.992 -3.789 1.00 0.00 C ATOM 436 C ARG A 27 5.990 0.864 -4.729 1.00 0.00 C ATOM 437 O ARG A 27 5.751 -0.237 -4.283 1.00 0.00 O ATOM 438 CB ARG A 27 5.412 3.085 -3.652 1.00 0.00 C ATOM 439 CG ARG A 27 4.034 2.455 -3.371 1.00 0.00 C ATOM 440 CD ARG A 27 2.914 3.461 -3.656 1.00 0.00 C ATOM 441 NE ARG A 27 3.080 3.863 -5.093 1.00 0.00 N ATOM 442 CZ ARG A 27 3.077 5.133 -5.432 1.00 0.00 C ATOM 443 NH1 ARG A 27 3.890 5.979 -4.841 1.00 0.00 N ATOM 444 NH2 ARG A 27 2.266 5.556 -6.368 1.00 0.00 N ATOM 0 H ARG A 27 7.573 3.692 -4.513 1.00 0.00 H new ATOM 0 HA ARG A 27 6.728 1.518 -2.837 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.678 3.767 -2.844 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.368 3.677 -4.566 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.900 1.568 -3.991 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.982 2.129 -2.332 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.935 3.014 -3.486 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.989 4.326 -2.997 1.00 0.00 H new ATOM 0 HE ARG A 27 3.196 3.147 -5.810 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.528 5.651 -4.115 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.884 6.963 -5.108 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.638 4.901 -6.833 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.262 6.541 -6.633 1.00 0.00 H new ATOM 458 N ASN A 28 5.830 1.139 -6.017 1.00 0.00 N ATOM 459 CA ASN A 28 5.338 0.081 -6.978 1.00 0.00 C ATOM 460 C ASN A 28 6.345 -1.059 -7.076 1.00 0.00 C ATOM 461 O ASN A 28 5.968 -2.210 -7.028 1.00 0.00 O ATOM 462 CB ASN A 28 5.201 0.784 -8.323 1.00 0.00 C ATOM 463 CG ASN A 28 4.577 -0.131 -9.391 1.00 0.00 C ATOM 464 OD1 ASN A 28 4.211 -1.260 -9.129 1.00 0.00 O ATOM 465 ND2 ASN A 28 4.448 0.323 -10.606 1.00 0.00 N ATOM 0 H ASN A 28 6.019 2.048 -6.440 1.00 0.00 H new ATOM 0 HA ASN A 28 4.394 -0.354 -6.650 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.585 1.676 -8.205 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.183 1.117 -8.660 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.042 -0.268 -11.331 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.753 1.270 -10.832 1.00 0.00 H new ATOM 472 N ALA A 29 7.624 -0.739 -7.183 1.00 0.00 N ATOM 473 CA ALA A 29 8.675 -1.812 -7.247 1.00 0.00 C ATOM 474 C ALA A 29 8.563 -2.689 -6.005 1.00 0.00 C ATOM 475 O ALA A 29 8.680 -3.893 -6.081 1.00 0.00 O ATOM 476 CB ALA A 29 9.997 -1.078 -7.223 1.00 0.00 C ATOM 0 H ALA A 29 7.980 0.216 -7.228 1.00 0.00 H new ATOM 0 HA ALA A 29 8.572 -2.443 -8.130 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.814 -1.798 -7.267 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.057 -0.408 -8.081 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.074 -0.498 -6.304 1.00 0.00 H new ATOM 482 N PHE A 30 8.297 -2.071 -4.872 1.00 0.00 N ATOM 483 CA PHE A 30 8.121 -2.830 -3.605 1.00 0.00 C ATOM 484 C PHE A 30 6.895 -3.693 -3.692 1.00 0.00 C ATOM 485 O PHE A 30 6.938 -4.843 -3.355 1.00 0.00 O ATOM 486 CB PHE A 30 7.954 -1.774 -2.521 1.00 0.00 C ATOM 487 CG PHE A 30 9.314 -1.248 -2.134 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.453 -2.061 -2.269 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.438 0.036 -1.619 1.00 0.00 C ATOM 490 CE1 PHE A 30 11.686 -1.592 -1.897 1.00 0.00 C ATOM 491 CE2 PHE A 30 10.686 0.501 -1.234 1.00 0.00 C ATOM 492 CZ PHE A 30 11.811 -0.325 -1.375 1.00 0.00 C ATOM 0 H PHE A 30 8.195 -1.060 -4.780 1.00 0.00 H new ATOM 0 HA PHE A 30 8.965 -3.488 -3.398 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.324 -0.961 -2.882 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.455 -2.202 -1.652 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.356 -3.060 -2.668 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.568 0.668 -1.519 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.559 -2.217 -2.014 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.792 1.496 -0.827 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.783 0.036 -1.072 1.00 0.00 H new ATOM 502 N ILE A 31 5.825 -3.148 -4.186 1.00 0.00 N ATOM 503 CA ILE A 31 4.583 -3.942 -4.361 1.00 0.00 C ATOM 504 C ILE A 31 4.846 -5.052 -5.402 1.00 0.00 C ATOM 505 O ILE A 31 4.267 -6.105 -5.313 1.00 0.00 O ATOM 506 CB ILE A 31 3.529 -2.910 -4.772 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.357 -1.939 -3.597 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.210 -3.597 -5.043 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.608 -0.703 -4.036 1.00 0.00 C ATOM 0 H ILE A 31 5.757 -2.174 -4.480 1.00 0.00 H new ATOM 0 HA ILE A 31 4.239 -4.470 -3.472 1.00 0.00 H new ATOM 0 HB ILE A 31 3.842 -2.387 -5.675 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.817 -2.430 -2.788 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.334 -1.659 -3.204 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.467 -2.855 -5.335 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.335 -4.321 -5.848 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.876 -4.111 -4.142 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.495 -0.026 -3.189 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.164 -0.203 -4.829 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.623 -0.987 -4.407 1.00 0.00 H new ATOM 521 N GLN A 32 5.768 -4.844 -6.342 1.00 0.00 N ATOM 522 CA GLN A 32 6.116 -5.926 -7.330 1.00 0.00 C ATOM 523 C GLN A 32 6.983 -6.993 -6.628 1.00 0.00 C ATOM 524 O GLN A 32 6.699 -8.171 -6.709 1.00 0.00 O ATOM 525 CB GLN A 32 6.856 -5.214 -8.475 1.00 0.00 C ATOM 526 CG GLN A 32 5.840 -4.375 -9.273 1.00 0.00 C ATOM 527 CD GLN A 32 6.549 -3.546 -10.350 1.00 0.00 C ATOM 528 OE1 GLN A 32 7.361 -2.697 -10.046 1.00 0.00 O ATOM 529 NE2 GLN A 32 6.270 -3.753 -11.611 1.00 0.00 N ATOM 0 H GLN A 32 6.286 -3.973 -6.459 1.00 0.00 H new ATOM 0 HA GLN A 32 5.246 -6.452 -7.723 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.644 -4.575 -8.076 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.337 -5.944 -9.126 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.104 -5.031 -9.738 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.296 -3.714 -8.598 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.588 -4.465 -11.872 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.734 -3.202 -12.333 1.00 0.00 H new ATOM 538 N SER A 33 7.999 -6.576 -5.885 1.00 0.00 N ATOM 539 CA SER A 33 8.855 -7.549 -5.107 1.00 0.00 C ATOM 540 C SER A 33 8.046 -8.175 -3.945 1.00 0.00 C ATOM 541 O SER A 33 8.315 -9.279 -3.524 1.00 0.00 O ATOM 542 CB SER A 33 10.045 -6.730 -4.571 1.00 0.00 C ATOM 543 OG SER A 33 9.591 -5.503 -4.008 1.00 0.00 O ATOM 0 H SER A 33 8.271 -5.598 -5.785 1.00 0.00 H new ATOM 0 HA SER A 33 9.194 -8.375 -5.732 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.581 -7.307 -3.817 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.749 -6.528 -5.379 1.00 0.00 H new ATOM 0 HG SER A 33 8.641 -5.579 -3.780 1.00 0.00 H new ATOM 549 N LEU A 34 7.067 -7.454 -3.435 1.00 0.00 N ATOM 550 CA LEU A 34 6.214 -7.945 -2.301 1.00 0.00 C ATOM 551 C LEU A 34 5.075 -8.855 -2.812 1.00 0.00 C ATOM 552 O LEU A 34 4.831 -9.905 -2.243 1.00 0.00 O ATOM 553 CB LEU A 34 5.671 -6.648 -1.681 1.00 0.00 C ATOM 554 CG LEU A 34 4.923 -6.913 -0.380 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.910 -7.090 0.754 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.034 -5.718 -0.067 1.00 0.00 C ATOM 0 H LEU A 34 6.820 -6.522 -3.768 1.00 0.00 H new ATOM 0 HA LEU A 34 6.763 -8.556 -1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.497 -5.962 -1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.004 -6.157 -2.390 1.00 0.00 H new ATOM 0 HG LEU A 34 4.323 -7.817 -0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.369 -7.279 1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.565 -7.934 0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.508 -6.185 0.861 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.495 -5.899 0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.649 -4.825 0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.320 -5.573 -0.878 1.00 0.00 H new ATOM 568 N LYS A 35 4.377 -8.460 -3.878 1.00 0.00 N ATOM 569 CA LYS A 35 3.247 -9.309 -4.427 1.00 0.00 C ATOM 570 C LYS A 35 3.798 -10.666 -4.913 1.00 0.00 C ATOM 571 O LYS A 35 3.097 -11.663 -4.874 1.00 0.00 O ATOM 572 CB LYS A 35 2.586 -8.501 -5.591 1.00 0.00 C ATOM 573 CG LYS A 35 1.364 -7.710 -5.121 1.00 0.00 C ATOM 574 CD LYS A 35 0.369 -8.656 -4.428 1.00 0.00 C ATOM 575 CE LYS A 35 -1.062 -8.130 -4.590 1.00 0.00 C ATOM 576 NZ LYS A 35 -1.921 -9.349 -4.695 1.00 0.00 N ATOM 0 H LYS A 35 4.544 -7.591 -4.385 1.00 0.00 H new ATOM 0 HA LYS A 35 2.501 -9.525 -3.662 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.319 -7.816 -6.018 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.290 -9.186 -6.385 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.671 -6.922 -4.433 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.886 -7.222 -5.970 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.448 -9.655 -4.856 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.615 -8.742 -3.370 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.354 -7.515 -3.738 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.154 -7.507 -5.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.341 -9.397 -5.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.342 -10.197 -4.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.678 -9.302 -3.984 1.00 0.00 H new ATOM 590 N ASP A 36 5.049 -10.709 -5.348 1.00 0.00 N ATOM 591 CA ASP A 36 5.662 -12.000 -5.816 1.00 0.00 C ATOM 592 C ASP A 36 6.498 -12.680 -4.700 1.00 0.00 C ATOM 593 O ASP A 36 6.611 -13.895 -4.685 1.00 0.00 O ATOM 594 CB ASP A 36 6.553 -11.612 -7.007 1.00 0.00 C ATOM 595 CG ASP A 36 5.675 -11.251 -8.216 1.00 0.00 C ATOM 596 OD1 ASP A 36 5.258 -12.162 -8.912 1.00 0.00 O ATOM 597 OD2 ASP A 36 5.431 -10.074 -8.421 1.00 0.00 O ATOM 0 H ASP A 36 5.669 -9.900 -5.397 1.00 0.00 H new ATOM 0 HA ASP A 36 4.896 -12.725 -6.092 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.186 -10.766 -6.739 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.217 -12.438 -7.261 1.00 0.00 H new ATOM 602 N ASP A 37 7.081 -11.925 -3.771 1.00 0.00 N ATOM 603 CA ASP A 37 7.904 -12.558 -2.673 1.00 0.00 C ATOM 604 C ASP A 37 7.274 -12.301 -1.282 1.00 0.00 C ATOM 605 O ASP A 37 7.409 -11.220 -0.732 1.00 0.00 O ATOM 606 CB ASP A 37 9.303 -11.918 -2.763 1.00 0.00 C ATOM 607 CG ASP A 37 10.359 -12.914 -2.265 1.00 0.00 C ATOM 608 OD1 ASP A 37 10.301 -13.281 -1.099 1.00 0.00 O ATOM 609 OD2 ASP A 37 11.208 -13.289 -3.054 1.00 0.00 O ATOM 0 H ASP A 37 7.020 -10.908 -3.731 1.00 0.00 H new ATOM 0 HA ASP A 37 7.951 -13.640 -2.796 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.517 -11.631 -3.792 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.337 -11.008 -2.164 1.00 0.00 H new ATOM 614 N PRO A 38 6.601 -13.319 -0.759 1.00 0.00 N ATOM 615 CA PRO A 38 5.944 -13.216 0.582 1.00 0.00 C ATOM 616 C PRO A 38 6.964 -13.158 1.748 1.00 0.00 C ATOM 617 O PRO A 38 6.699 -12.531 2.759 1.00 0.00 O ATOM 618 CB PRO A 38 5.114 -14.498 0.660 1.00 0.00 C ATOM 619 CG PRO A 38 5.804 -15.460 -0.240 1.00 0.00 C ATOM 620 CD PRO A 38 6.377 -14.647 -1.361 1.00 0.00 C ATOM 0 HA PRO A 38 5.361 -12.300 0.680 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.068 -14.877 1.681 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.087 -14.323 0.338 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.589 -15.997 0.292 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.107 -16.208 -0.618 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.306 -15.079 -1.733 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.690 -14.592 -2.206 1.00 0.00 H new ATOM 628 N SER A 39 8.102 -13.822 1.629 1.00 0.00 N ATOM 629 CA SER A 39 9.116 -13.815 2.750 1.00 0.00 C ATOM 630 C SER A 39 9.973 -12.531 2.773 1.00 0.00 C ATOM 631 O SER A 39 10.456 -12.145 3.823 1.00 0.00 O ATOM 632 CB SER A 39 9.993 -15.056 2.525 1.00 0.00 C ATOM 633 OG SER A 39 10.711 -14.934 1.301 1.00 0.00 O ATOM 0 H SER A 39 8.371 -14.365 0.809 1.00 0.00 H new ATOM 0 HA SER A 39 8.612 -13.836 3.716 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.691 -15.173 3.354 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.371 -15.951 2.503 1.00 0.00 H new ATOM 0 HG SER A 39 10.307 -14.229 0.754 1.00 0.00 H new ATOM 639 N GLN A 40 10.164 -11.863 1.645 1.00 0.00 N ATOM 640 CA GLN A 40 10.992 -10.604 1.641 1.00 0.00 C ATOM 641 C GLN A 40 10.155 -9.368 2.038 1.00 0.00 C ATOM 642 O GLN A 40 10.666 -8.272 2.022 1.00 0.00 O ATOM 643 CB GLN A 40 11.487 -10.440 0.193 1.00 0.00 C ATOM 644 CG GLN A 40 12.865 -9.771 0.193 1.00 0.00 C ATOM 645 CD GLN A 40 13.127 -9.117 -1.167 1.00 0.00 C ATOM 646 OE1 GLN A 40 13.161 -9.785 -2.182 1.00 0.00 O ATOM 647 NE2 GLN A 40 13.322 -7.827 -1.233 1.00 0.00 N ATOM 0 H GLN A 40 9.785 -12.135 0.738 1.00 0.00 H new ATOM 0 HA GLN A 40 11.806 -10.679 2.362 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.544 -11.413 -0.295 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.780 -9.838 -0.378 1.00 0.00 H new ATOM 0 HG2 GLN A 40 12.915 -9.021 0.983 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.638 -10.510 0.406 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.294 -7.263 -0.384 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.502 -7.384 -2.134 1.00 0.00 H new ATOM 656 N SER A 41 8.880 -9.526 2.352 1.00 0.00 N ATOM 657 CA SER A 41 8.003 -8.342 2.690 1.00 0.00 C ATOM 658 C SER A 41 8.565 -7.474 3.814 1.00 0.00 C ATOM 659 O SER A 41 8.649 -6.274 3.649 1.00 0.00 O ATOM 660 CB SER A 41 6.660 -8.933 3.127 1.00 0.00 C ATOM 661 OG SER A 41 6.247 -9.899 2.182 1.00 0.00 O ATOM 0 H SER A 41 8.407 -10.429 2.389 1.00 0.00 H new ATOM 0 HA SER A 41 7.926 -7.688 1.822 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.753 -9.388 4.113 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.912 -8.145 3.209 1.00 0.00 H new ATOM 0 HG SER A 41 6.337 -10.795 2.569 1.00 0.00 H new ATOM 667 N ALA A 42 8.946 -8.039 4.945 1.00 0.00 N ATOM 668 CA ALA A 42 9.506 -7.169 6.038 1.00 0.00 C ATOM 669 C ALA A 42 10.746 -6.438 5.525 1.00 0.00 C ATOM 670 O ALA A 42 10.865 -5.245 5.689 1.00 0.00 O ATOM 671 CB ALA A 42 9.925 -8.095 7.148 1.00 0.00 C ATOM 0 H ALA A 42 8.895 -9.036 5.154 1.00 0.00 H new ATOM 0 HA ALA A 42 8.771 -6.436 6.370 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.340 -7.513 7.970 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.059 -8.655 7.501 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.679 -8.789 6.778 1.00 0.00 H new ATOM 677 N ASN A 43 11.644 -7.157 4.861 1.00 0.00 N ATOM 678 CA ASN A 43 12.859 -6.510 4.269 1.00 0.00 C ATOM 679 C ASN A 43 12.411 -5.450 3.280 1.00 0.00 C ATOM 680 O ASN A 43 12.993 -4.404 3.207 1.00 0.00 O ATOM 681 CB ASN A 43 13.596 -7.591 3.489 1.00 0.00 C ATOM 682 CG ASN A 43 14.846 -8.048 4.253 1.00 0.00 C ATOM 683 OD1 ASN A 43 15.926 -8.083 3.698 1.00 0.00 O ATOM 684 ND2 ASN A 43 14.750 -8.403 5.507 1.00 0.00 N ATOM 0 H ASN A 43 11.578 -8.164 4.709 1.00 0.00 H new ATOM 0 HA ASN A 43 13.485 -6.065 5.042 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.935 -8.441 3.321 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.881 -7.210 2.508 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.580 -8.708 6.016 1.00 0.00 H new ATOM 0 HD22 ASN A 43 13.845 -8.375 5.977 1.00 0.00 H new ATOM 691 N LEU A 44 11.359 -5.736 2.535 1.00 0.00 N ATOM 692 CA LEU A 44 10.813 -4.758 1.546 1.00 0.00 C ATOM 693 C LEU A 44 10.314 -3.548 2.251 1.00 0.00 C ATOM 694 O LEU A 44 10.588 -2.440 1.833 1.00 0.00 O ATOM 695 CB LEU A 44 9.686 -5.461 0.827 1.00 0.00 C ATOM 696 CG LEU A 44 10.303 -6.352 -0.214 1.00 0.00 C ATOM 697 CD1 LEU A 44 9.197 -7.149 -0.876 1.00 0.00 C ATOM 698 CD2 LEU A 44 11.056 -5.461 -1.204 1.00 0.00 C ATOM 0 H LEU A 44 10.854 -6.621 2.577 1.00 0.00 H new ATOM 0 HA LEU A 44 11.578 -4.431 0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.089 -6.045 1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.016 -4.737 0.364 1.00 0.00 H new ATOM 0 HG LEU A 44 11.011 -7.062 0.213 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.625 -7.803 -1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.684 -7.751 -0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.486 -6.467 -1.343 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.516 -6.080 -1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.359 -4.763 -1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.830 -4.904 -0.676 1.00 0.00 H new ATOM 710 N LEU A 45 9.633 -3.733 3.349 1.00 0.00 N ATOM 711 CA LEU A 45 9.210 -2.543 4.098 1.00 0.00 C ATOM 712 C LEU A 45 10.474 -1.889 4.649 1.00 0.00 C ATOM 713 O LEU A 45 10.648 -0.730 4.486 1.00 0.00 O ATOM 714 CB LEU A 45 8.286 -3.013 5.202 1.00 0.00 C ATOM 715 CG LEU A 45 8.089 -1.896 6.230 1.00 0.00 C ATOM 716 CD1 LEU A 45 7.764 -0.574 5.513 1.00 0.00 C ATOM 717 CD2 LEU A 45 6.949 -2.291 7.161 1.00 0.00 C ATOM 0 H LEU A 45 9.363 -4.634 3.742 1.00 0.00 H new ATOM 0 HA LEU A 45 8.677 -1.814 3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.324 -3.306 4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.704 -3.895 5.687 1.00 0.00 H new ATOM 0 HG LEU A 45 9.002 -1.753 6.809 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.625 0.216 6.251 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.586 -0.309 4.848 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.850 -0.691 4.931 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.795 -1.506 7.901 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.036 -2.428 6.581 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.200 -3.223 7.668 1.00 0.00 H new ATOM 729 N ALA A 46 11.369 -2.644 5.256 1.00 0.00 N ATOM 730 CA ALA A 46 12.651 -2.044 5.780 1.00 0.00 C ATOM 731 C ALA A 46 13.396 -1.284 4.683 1.00 0.00 C ATOM 732 O ALA A 46 13.858 -0.197 4.916 1.00 0.00 O ATOM 733 CB ALA A 46 13.523 -3.221 6.178 1.00 0.00 C ATOM 0 H ALA A 46 11.269 -3.647 5.412 1.00 0.00 H new ATOM 0 HA ALA A 46 12.435 -1.356 6.597 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.473 -2.855 6.568 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.017 -3.806 6.946 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.707 -3.849 5.306 1.00 0.00 H new ATOM 739 N GLU A 47 13.509 -1.846 3.489 1.00 0.00 N ATOM 740 CA GLU A 47 14.206 -1.116 2.389 1.00 0.00 C ATOM 741 C GLU A 47 13.328 0.069 1.982 1.00 0.00 C ATOM 742 O GLU A 47 13.839 1.136 1.723 1.00 0.00 O ATOM 743 CB GLU A 47 14.511 -2.101 1.247 1.00 0.00 C ATOM 744 CG GLU A 47 13.285 -2.780 0.705 1.00 0.00 C ATOM 745 CD GLU A 47 13.733 -3.985 -0.138 1.00 0.00 C ATOM 746 OE1 GLU A 47 13.971 -3.810 -1.320 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.851 -5.065 0.423 1.00 0.00 O ATOM 0 H GLU A 47 13.150 -2.768 3.241 1.00 0.00 H new ATOM 0 HA GLU A 47 15.169 -0.711 2.699 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.009 -1.566 0.438 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.209 -2.858 1.606 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.640 -3.106 1.521 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.704 -2.086 0.097 1.00 0.00 H new ATOM 754 N ALA A 48 12.006 -0.076 2.009 1.00 0.00 N ATOM 755 CA ALA A 48 11.130 1.094 1.738 1.00 0.00 C ATOM 756 C ALA A 48 11.310 2.132 2.881 1.00 0.00 C ATOM 757 O ALA A 48 11.381 3.320 2.635 1.00 0.00 O ATOM 758 CB ALA A 48 9.732 0.504 1.750 1.00 0.00 C ATOM 0 H ALA A 48 11.518 -0.950 2.206 1.00 0.00 H new ATOM 0 HA ALA A 48 11.349 1.608 0.802 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.003 1.291 1.558 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.653 -0.260 0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.534 0.056 2.724 1.00 0.00 H new ATOM 764 N LYS A 49 11.451 1.656 4.118 1.00 0.00 N ATOM 765 CA LYS A 49 11.705 2.545 5.306 1.00 0.00 C ATOM 766 C LYS A 49 13.075 3.198 5.105 1.00 0.00 C ATOM 767 O LYS A 49 13.271 4.379 5.315 1.00 0.00 O ATOM 768 CB LYS A 49 11.766 1.582 6.519 1.00 0.00 C ATOM 769 CG LYS A 49 10.389 1.026 6.884 1.00 0.00 C ATOM 770 CD LYS A 49 9.414 2.157 7.155 1.00 0.00 C ATOM 771 CE LYS A 49 8.195 1.588 7.886 1.00 0.00 C ATOM 772 NZ LYS A 49 8.007 2.438 9.100 1.00 0.00 N ATOM 0 H LYS A 49 11.398 0.664 4.348 1.00 0.00 H new ATOM 0 HA LYS A 49 10.950 3.319 5.442 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.441 0.757 6.292 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.183 2.108 7.378 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.015 0.402 6.072 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.469 0.388 7.764 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.890 2.930 7.758 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.109 2.626 6.219 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.311 1.616 7.250 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.357 0.546 8.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.187 2.096 9.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.859 2.387 9.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.845 3.424 8.812 1.00 0.00 H new ATOM 786 N LYS A 50 13.999 2.384 4.639 1.00 0.00 N ATOM 787 CA LYS A 50 15.389 2.814 4.316 1.00 0.00 C ATOM 788 C LYS A 50 15.334 3.873 3.201 1.00 0.00 C ATOM 789 O LYS A 50 16.049 4.857 3.235 1.00 0.00 O ATOM 790 CB LYS A 50 16.045 1.488 3.860 1.00 0.00 C ATOM 791 CG LYS A 50 17.257 1.691 2.942 1.00 0.00 C ATOM 792 CD LYS A 50 17.395 0.449 2.041 1.00 0.00 C ATOM 793 CE LYS A 50 17.868 -0.754 2.877 1.00 0.00 C ATOM 794 NZ LYS A 50 18.145 -1.841 1.891 1.00 0.00 N ATOM 0 H LYS A 50 13.829 1.394 4.464 1.00 0.00 H new ATOM 0 HA LYS A 50 15.943 3.278 5.132 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.355 0.924 4.739 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.302 0.884 3.340 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.128 2.588 2.336 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.162 1.834 3.533 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.438 0.222 1.570 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.106 0.648 1.239 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.762 -0.507 3.450 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.105 -1.059 3.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.472 -2.691 2.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.276 -2.063 1.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.881 -1.528 1.227 1.00 0.00 H new ATOM 808 N LEU A 51 14.451 3.675 2.236 1.00 0.00 N ATOM 809 CA LEU A 51 14.285 4.662 1.122 1.00 0.00 C ATOM 810 C LEU A 51 13.615 5.930 1.639 1.00 0.00 C ATOM 811 O LEU A 51 13.902 7.010 1.180 1.00 0.00 O ATOM 812 CB LEU A 51 13.364 3.979 0.105 1.00 0.00 C ATOM 813 CG LEU A 51 14.152 3.412 -1.078 1.00 0.00 C ATOM 814 CD1 LEU A 51 15.517 2.881 -0.641 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.356 2.266 -1.674 1.00 0.00 C ATOM 0 H LEU A 51 13.837 2.863 2.179 1.00 0.00 H new ATOM 0 HA LEU A 51 15.245 4.944 0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.813 3.176 0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 51 12.627 4.696 -0.258 1.00 0.00 H new ATOM 0 HG LEU A 51 14.312 4.210 -1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.048 2.486 -1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.097 3.690 -0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.381 2.087 0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 51 13.900 1.846 -2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.208 1.494 -0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.387 2.633 -2.012 1.00 0.00 H new ATOM 827 N ASN A 52 12.717 5.792 2.590 1.00 0.00 N ATOM 828 CA ASN A 52 12.009 6.976 3.158 1.00 0.00 C ATOM 829 C ASN A 52 13.032 7.965 3.750 1.00 0.00 C ATOM 830 O ASN A 52 12.937 9.156 3.534 1.00 0.00 O ATOM 831 CB ASN A 52 11.095 6.408 4.246 1.00 0.00 C ATOM 832 CG ASN A 52 10.097 7.475 4.679 1.00 0.00 C ATOM 833 OD1 ASN A 52 9.182 7.797 3.953 1.00 0.00 O ATOM 834 ND2 ASN A 52 10.242 8.047 5.840 1.00 0.00 N ATOM 0 H ASN A 52 12.445 4.897 2.998 1.00 0.00 H new ATOM 0 HA ASN A 52 11.441 7.525 2.408 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.567 5.531 3.871 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.688 6.081 5.100 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.585 8.767 6.139 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.013 7.775 6.450 1.00 0.00 H new ATOM 841 N ASP A 53 14.017 7.464 4.471 1.00 0.00 N ATOM 842 CA ASP A 53 15.076 8.360 5.063 1.00 0.00 C ATOM 843 C ASP A 53 16.109 8.766 3.993 1.00 0.00 C ATOM 844 O ASP A 53 16.559 9.898 3.965 1.00 0.00 O ATOM 845 CB ASP A 53 15.752 7.543 6.173 1.00 0.00 C ATOM 846 CG ASP A 53 14.730 7.155 7.255 1.00 0.00 C ATOM 847 OD1 ASP A 53 14.184 8.049 7.884 1.00 0.00 O ATOM 848 OD2 ASP A 53 14.515 5.969 7.436 1.00 0.00 O ATOM 0 H ASP A 53 14.134 6.472 4.675 1.00 0.00 H new ATOM 0 HA ASP A 53 14.640 9.281 5.451 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.201 6.645 5.749 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.560 8.123 6.619 1.00 0.00 H new ATOM 853 N ALA A 54 16.477 7.849 3.112 1.00 0.00 N ATOM 854 CA ALA A 54 17.476 8.167 2.026 1.00 0.00 C ATOM 855 C ALA A 54 16.877 9.168 1.025 1.00 0.00 C ATOM 856 O ALA A 54 17.527 10.121 0.629 1.00 0.00 O ATOM 857 CB ALA A 54 17.772 6.828 1.339 1.00 0.00 C ATOM 0 H ALA A 54 16.126 6.891 3.100 1.00 0.00 H new ATOM 0 HA ALA A 54 18.381 8.623 2.426 1.00 0.00 H new ATOM 0 HB1 ALA A 54 18.493 6.982 0.536 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.184 6.129 2.067 1.00 0.00 H new ATOM 0 HB3 ALA A 54 16.850 6.420 0.925 1.00 0.00 H new ATOM 863 N GLN A 55 15.630 8.970 0.643 1.00 0.00 N ATOM 864 CA GLN A 55 14.941 9.912 -0.304 1.00 0.00 C ATOM 865 C GLN A 55 14.277 11.082 0.467 1.00 0.00 C ATOM 866 O GLN A 55 13.590 11.898 -0.127 1.00 0.00 O ATOM 867 CB GLN A 55 13.863 9.083 -1.013 1.00 0.00 C ATOM 868 CG GLN A 55 14.494 7.920 -1.797 1.00 0.00 C ATOM 869 CD GLN A 55 13.399 7.197 -2.582 1.00 0.00 C ATOM 870 OE1 GLN A 55 13.483 7.062 -3.785 1.00 0.00 O ATOM 871 NE2 GLN A 55 12.359 6.731 -1.943 1.00 0.00 N ATOM 0 H GLN A 55 15.056 8.186 0.952 1.00 0.00 H new ATOM 0 HA GLN A 55 15.651 10.348 -1.006 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.158 8.692 -0.280 1.00 0.00 H new ATOM 0 HB3 GLN A 55 13.296 9.720 -1.692 1.00 0.00 H new ATOM 0 HG2 GLN A 55 15.259 8.295 -2.477 1.00 0.00 H new ATOM 0 HG3 GLN A 55 14.986 7.228 -1.113 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.289 6.845 -0.932 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.617 6.254 -2.455 1.00 0.00 H new ATOM 880 N ALA A 56 14.470 11.168 1.782 1.00 0.00 N ATOM 881 CA ALA A 56 13.847 12.274 2.587 1.00 0.00 C ATOM 882 C ALA A 56 14.440 13.636 2.218 1.00 0.00 C ATOM 883 O ALA A 56 15.570 13.719 1.760 1.00 0.00 O ATOM 884 CB ALA A 56 14.164 11.969 4.051 1.00 0.00 C ATOM 0 H ALA A 56 15.035 10.513 2.323 1.00 0.00 H new ATOM 0 HA ALA A 56 12.775 12.322 2.395 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.734 12.744 4.686 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.740 11.002 4.321 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.245 11.944 4.192 1.00 0.00 H new ATOM 1014 N ASN B 6 0.583 -6.095 -8.774 1.00 0.00 N ATOM 1015 CA ASN B 6 1.643 -5.266 -8.088 1.00 0.00 C ATOM 1016 C ASN B 6 1.778 -3.864 -8.697 1.00 0.00 C ATOM 1017 O ASN B 6 2.151 -2.927 -8.014 1.00 0.00 O ATOM 1018 CB ASN B 6 2.970 -6.045 -8.187 1.00 0.00 C ATOM 1019 CG ASN B 6 3.217 -6.613 -9.602 1.00 0.00 C ATOM 1020 OD1 ASN B 6 3.146 -5.904 -10.584 1.00 0.00 O ATOM 1021 ND2 ASN B 6 3.508 -7.879 -9.741 1.00 0.00 N ATOM 0 HA ASN B 6 1.362 -5.106 -7.047 1.00 0.00 H new ATOM 0 HB2 ASN B 6 3.795 -5.387 -7.914 1.00 0.00 H new ATOM 0 HB3 ASN B 6 2.962 -6.863 -7.467 1.00 0.00 H new ATOM 0 HD21 ASN B 6 3.674 -8.265 -10.670 1.00 0.00 H new ATOM 0 HD22 ASN B 6 3.569 -8.481 -8.920 1.00 0.00 H new ATOM 1028 N LYS B 7 1.456 -3.705 -9.951 1.00 0.00 N ATOM 1029 CA LYS B 7 1.539 -2.352 -10.587 1.00 0.00 C ATOM 1030 C LYS B 7 0.296 -1.551 -10.257 1.00 0.00 C ATOM 1031 O LYS B 7 0.364 -0.352 -10.043 1.00 0.00 O ATOM 1032 CB LYS B 7 1.651 -2.609 -12.090 1.00 0.00 C ATOM 1033 CG LYS B 7 3.064 -3.103 -12.425 1.00 0.00 C ATOM 1034 CD LYS B 7 3.218 -3.259 -13.943 1.00 0.00 C ATOM 1035 CE LYS B 7 3.509 -1.891 -14.585 1.00 0.00 C ATOM 1036 NZ LYS B 7 4.985 -1.684 -14.451 1.00 0.00 N ATOM 0 H LYS B 7 1.138 -4.453 -10.567 1.00 0.00 H new ATOM 0 HA LYS B 7 2.391 -1.776 -10.226 1.00 0.00 H new ATOM 0 HB2 LYS B 7 0.913 -3.350 -12.398 1.00 0.00 H new ATOM 0 HB3 LYS B 7 1.434 -1.695 -12.642 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.804 -2.398 -12.046 1.00 0.00 H new ATOM 0 HG3 LYS B 7 3.251 -4.057 -11.932 1.00 0.00 H new ATOM 0 HD2 LYS B 7 4.028 -3.954 -14.165 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.308 -3.683 -14.368 1.00 0.00 H new ATOM 0 HE2 LYS B 7 3.206 -1.878 -15.632 1.00 0.00 H new ATOM 0 HE3 LYS B 7 2.956 -1.098 -14.083 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 5.190 -0.665 -14.410 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 5.322 -2.140 -13.579 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 5.470 -2.102 -15.270 1.00 0.00 H new ATOM 1050 N GLU B 8 -0.833 -2.210 -10.194 1.00 0.00 N ATOM 1051 CA GLU B 8 -2.090 -1.495 -9.852 1.00 0.00 C ATOM 1052 C GLU B 8 -2.134 -1.120 -8.370 1.00 0.00 C ATOM 1053 O GLU B 8 -2.778 -0.151 -8.037 1.00 0.00 O ATOM 1054 CB GLU B 8 -3.262 -2.394 -10.278 1.00 0.00 C ATOM 1055 CG GLU B 8 -3.270 -3.716 -9.515 1.00 0.00 C ATOM 1056 CD GLU B 8 -4.423 -4.589 -10.018 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -4.235 -5.273 -11.014 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -5.471 -4.562 -9.403 1.00 0.00 O ATOM 0 H GLU B 8 -0.934 -3.210 -10.365 1.00 0.00 H new ATOM 0 HA GLU B 8 -2.153 -0.547 -10.386 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -4.202 -1.870 -10.107 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -3.198 -2.592 -11.348 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -2.321 -4.234 -9.653 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -3.379 -3.531 -8.446 1.00 0.00 H new ATOM 1065 N LEU B 9 -1.429 -1.811 -7.476 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.462 -1.350 -6.038 1.00 0.00 C ATOM 1067 C LEU B 9 -0.631 -0.077 -5.884 1.00 0.00 C ATOM 1068 O LEU B 9 -0.857 0.691 -4.970 1.00 0.00 O ATOM 1069 CB LEU B 9 -0.898 -2.414 -5.092 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.502 -3.797 -5.337 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -0.472 -4.880 -4.935 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -2.772 -3.915 -4.478 1.00 0.00 C ATOM 0 H LEU B 9 -0.860 -2.635 -7.671 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.504 -1.164 -5.778 1.00 0.00 H new ATOM 0 HB2 LEU B 9 0.184 -2.467 -5.214 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.088 -2.116 -4.061 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.754 -3.935 -6.388 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -0.897 -5.869 -5.108 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.431 -4.764 -5.534 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.223 -4.771 -3.879 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.226 -4.894 -4.632 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.512 -3.797 -3.426 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.480 -3.137 -4.766 1.00 0.00 H new ATOM 1084 N SER B 10 0.317 0.175 -6.778 1.00 0.00 N ATOM 1085 CA SER B 10 1.109 1.432 -6.668 1.00 0.00 C ATOM 1086 C SER B 10 0.148 2.618 -6.862 1.00 0.00 C ATOM 1087 O SER B 10 0.137 3.551 -6.087 1.00 0.00 O ATOM 1088 CB SER B 10 2.138 1.373 -7.792 1.00 0.00 C ATOM 1089 OG SER B 10 2.761 2.644 -7.925 1.00 0.00 O ATOM 0 H SER B 10 0.563 -0.432 -7.560 1.00 0.00 H new ATOM 0 HA SER B 10 1.604 1.547 -5.704 1.00 0.00 H new ATOM 0 HB2 SER B 10 2.885 0.609 -7.577 1.00 0.00 H new ATOM 0 HB3 SER B 10 1.656 1.092 -8.728 1.00 0.00 H new ATOM 0 HG SER B 10 2.203 3.225 -8.482 1.00 0.00 H new ATOM 1095 N VAL B 11 -0.681 2.546 -7.888 1.00 0.00 N ATOM 1096 CA VAL B 11 -1.675 3.636 -8.169 1.00 0.00 C ATOM 1097 C VAL B 11 -2.909 3.485 -7.254 1.00 0.00 C ATOM 1098 O VAL B 11 -3.315 4.426 -6.598 1.00 0.00 O ATOM 1099 CB VAL B 11 -2.073 3.459 -9.650 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -2.920 4.652 -10.104 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -0.815 3.360 -10.536 1.00 0.00 C ATOM 0 H VAL B 11 -0.708 1.768 -8.547 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.258 4.625 -7.980 1.00 0.00 H new ATOM 0 HB VAL B 11 -2.650 2.540 -9.748 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.199 4.523 -11.150 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -3.821 4.712 -9.493 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -2.344 5.571 -9.993 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -1.112 3.235 -11.577 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -0.225 4.271 -10.433 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -0.217 2.504 -10.224 1.00 0.00 H new ATOM 1111 N ALA B 12 -3.495 2.296 -7.214 1.00 0.00 N ATOM 1112 CA ALA B 12 -4.705 2.049 -6.357 1.00 0.00 C ATOM 1113 C ALA B 12 -4.373 2.216 -4.881 1.00 0.00 C ATOM 1114 O ALA B 12 -4.986 3.001 -4.188 1.00 0.00 O ATOM 1115 CB ALA B 12 -5.142 0.597 -6.637 1.00 0.00 C ATOM 0 H ALA B 12 -3.179 1.485 -7.745 1.00 0.00 H new ATOM 0 HA ALA B 12 -5.495 2.762 -6.590 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.022 0.360 -6.039 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -5.382 0.487 -7.695 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -4.332 -0.084 -6.376 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.402 1.481 -4.421 1.00 0.00 N ATOM 1122 CA GLY B 13 -2.983 1.524 -2.999 1.00 0.00 C ATOM 1123 C GLY B 13 -2.563 2.918 -2.580 1.00 0.00 C ATOM 1124 O GLY B 13 -3.046 3.427 -1.591 1.00 0.00 O ATOM 0 H GLY B 13 -2.865 0.831 -4.995 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -3.805 1.186 -2.367 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.155 0.832 -2.842 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.625 3.505 -3.287 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.123 4.847 -2.870 1.00 0.00 C ATOM 1130 C ARG B 14 -2.241 5.913 -2.819 1.00 0.00 C ATOM 1131 O ARG B 14 -2.264 6.700 -1.905 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.016 5.232 -3.852 1.00 0.00 C ATOM 1133 CG ARG B 14 0.833 6.370 -3.267 1.00 0.00 C ATOM 1134 CD ARG B 14 1.395 5.968 -1.890 1.00 0.00 C ATOM 1135 NE ARG B 14 2.810 6.443 -1.865 1.00 0.00 N ATOM 1136 CZ ARG B 14 3.095 7.672 -1.510 1.00 0.00 C ATOM 1137 NH1 ARG B 14 3.210 8.605 -2.423 1.00 0.00 N ATOM 1138 NH2 ARG B 14 3.267 7.962 -0.243 1.00 0.00 N ATOM 0 H ARG B 14 -1.192 3.116 -4.124 1.00 0.00 H new ATOM 0 HA ARG B 14 -0.738 4.799 -1.851 1.00 0.00 H new ATOM 0 HB2 ARG B 14 0.614 4.367 -4.060 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -0.453 5.544 -4.801 1.00 0.00 H new ATOM 0 HG2 ARG B 14 1.652 6.607 -3.946 1.00 0.00 H new ATOM 0 HG3 ARG B 14 0.228 7.271 -3.171 1.00 0.00 H new ATOM 0 HD2 ARG B 14 0.817 6.423 -1.085 1.00 0.00 H new ATOM 0 HD3 ARG B 14 1.344 4.888 -1.748 1.00 0.00 H new ATOM 0 HE ARG B 14 3.562 5.805 -2.127 1.00 0.00 H new ATOM 0 HH11 ARG B 14 3.078 8.374 -3.408 1.00 0.00 H new ATOM 0 HH12 ARG B 14 3.432 9.562 -2.149 1.00 0.00 H new ATOM 0 HH21 ARG B 14 3.179 7.232 0.464 1.00 0.00 H new ATOM 0 HH22 ARG B 14 3.489 8.918 0.036 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.177 5.937 -3.753 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.286 6.970 -3.663 1.00 0.00 C ATOM 1154 C GLU B 15 -5.142 6.699 -2.402 1.00 0.00 C ATOM 1155 O GLU B 15 -5.457 7.608 -1.656 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.118 6.818 -4.942 1.00 0.00 C ATOM 1157 CG GLU B 15 -4.339 7.403 -6.132 1.00 0.00 C ATOM 1158 CD GLU B 15 -5.200 7.349 -7.399 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -6.127 8.140 -7.501 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -4.911 6.526 -8.252 1.00 0.00 O ATOM 0 H GLU B 15 -3.226 5.307 -4.554 1.00 0.00 H new ATOM 0 HA GLU B 15 -3.898 7.985 -3.579 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.341 5.766 -5.121 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.073 7.332 -4.831 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -4.054 8.433 -5.920 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -3.417 6.842 -6.285 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.444 5.435 -2.151 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.219 4.994 -0.921 1.00 0.00 C ATOM 1169 C ILE B 16 -5.426 5.324 0.358 1.00 0.00 C ATOM 1170 O ILE B 16 -5.990 5.579 1.409 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.318 3.456 -1.080 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -7.197 3.131 -2.296 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -6.944 2.812 0.162 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -6.980 1.695 -2.779 1.00 0.00 C ATOM 0 H ILE B 16 -5.178 4.665 -2.765 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.188 5.486 -0.838 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.311 3.060 -1.213 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -8.246 3.274 -2.036 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -6.972 3.826 -3.105 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -7.001 1.732 0.022 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -6.330 3.033 1.035 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -7.947 3.212 0.313 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -7.619 1.501 -3.641 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -5.936 1.560 -3.063 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -7.230 1.000 -1.978 1.00 0.00 H new ATOM 1186 N VAL B 17 -4.123 5.271 0.255 1.00 0.00 N ATOM 1187 CA VAL B 17 -3.226 5.525 1.414 1.00 0.00 C ATOM 1188 C VAL B 17 -2.847 7.023 1.557 1.00 0.00 C ATOM 1189 O VAL B 17 -2.264 7.406 2.557 1.00 0.00 O ATOM 1190 CB VAL B 17 -2.015 4.622 1.084 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -0.879 5.369 0.402 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.498 3.969 2.323 1.00 0.00 C ATOM 0 H VAL B 17 -3.633 5.055 -0.613 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.681 5.299 2.379 1.00 0.00 H new ATOM 0 HB VAL B 17 -2.380 3.871 0.383 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -0.061 4.679 0.198 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -1.236 5.797 -0.535 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.526 6.168 1.054 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.646 3.337 2.073 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -1.186 4.734 3.034 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -2.284 3.359 2.768 1.00 0.00 H new ATOM 1202 N THR B 18 -3.137 7.865 0.564 1.00 0.00 N ATOM 1203 CA THR B 18 -2.738 9.318 0.665 1.00 0.00 C ATOM 1204 C THR B 18 -3.921 10.301 0.731 1.00 0.00 C ATOM 1205 O THR B 18 -3.673 11.487 0.904 1.00 0.00 O ATOM 1206 CB THR B 18 -1.897 9.624 -0.589 1.00 0.00 C ATOM 1207 OG1 THR B 18 -2.658 9.365 -1.766 1.00 0.00 O ATOM 1208 CG2 THR B 18 -0.629 8.769 -0.588 1.00 0.00 C ATOM 0 H THR B 18 -3.624 7.607 -0.294 1.00 0.00 H new ATOM 0 HA THR B 18 -2.195 9.457 1.600 1.00 0.00 H new ATOM 0 HB THR B 18 -1.616 10.677 -0.576 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.472 8.456 -2.083 1.00 0.00 H new ATOM 0 HG21 THR B 18 -0.040 8.991 -1.478 1.00 0.00 H new ATOM 0 HG22 THR B 18 -0.041 8.992 0.302 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.902 7.714 -0.588 1.00 0.00 H new ATOM 1216 N LEU B 19 -5.185 9.891 0.591 1.00 0.00 N ATOM 1217 CA LEU B 19 -6.275 10.943 0.661 1.00 0.00 C ATOM 1218 C LEU B 19 -6.276 11.645 2.048 1.00 0.00 C ATOM 1219 O LEU B 19 -5.909 11.049 3.050 1.00 0.00 O ATOM 1220 CB LEU B 19 -7.622 10.305 0.295 1.00 0.00 C ATOM 1221 CG LEU B 19 -7.919 9.028 1.077 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -9.383 9.074 1.456 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -7.676 7.794 0.200 1.00 0.00 C ATOM 0 H LEU B 19 -5.492 8.930 0.440 1.00 0.00 H new ATOM 0 HA LEU B 19 -6.084 11.731 -0.067 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -8.419 11.027 0.476 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -7.631 10.080 -0.771 1.00 0.00 H new ATOM 0 HG LEU B 19 -7.273 8.963 1.953 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -9.641 8.177 2.019 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -9.572 9.955 2.070 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -9.991 9.123 0.553 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -7.892 6.892 0.773 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -8.327 7.834 -0.673 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -6.635 7.777 -0.124 1.00 0.00 H new ATOM 1235 N PRO B 20 -6.590 12.935 2.020 1.00 0.00 N ATOM 1236 CA PRO B 20 -6.514 13.805 3.241 1.00 0.00 C ATOM 1237 C PRO B 20 -7.647 13.607 4.263 1.00 0.00 C ATOM 1238 O PRO B 20 -7.388 13.577 5.454 1.00 0.00 O ATOM 1239 CB PRO B 20 -6.568 15.221 2.665 1.00 0.00 C ATOM 1240 CG PRO B 20 -7.274 15.096 1.351 1.00 0.00 C ATOM 1241 CD PRO B 20 -7.069 13.689 0.852 1.00 0.00 C ATOM 0 HA PRO B 20 -5.618 13.568 3.814 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -7.102 15.896 3.334 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -5.566 15.629 2.534 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -8.337 15.310 1.466 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -6.880 15.817 0.635 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -7.997 13.269 0.465 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -6.343 13.661 0.039 1.00 0.00 H new ATOM 1249 N ASN B 21 -8.887 13.502 3.829 1.00 0.00 N ATOM 1250 CA ASN B 21 -10.026 13.343 4.819 1.00 0.00 C ATOM 1251 C ASN B 21 -9.947 12.005 5.576 1.00 0.00 C ATOM 1252 O ASN B 21 -10.508 11.866 6.649 1.00 0.00 O ATOM 1253 CB ASN B 21 -11.322 13.390 4.007 1.00 0.00 C ATOM 1254 CG ASN B 21 -11.577 14.781 3.402 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -10.770 15.685 3.513 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -12.700 14.993 2.771 1.00 0.00 N ATOM 0 H ASN B 21 -9.164 13.518 2.847 1.00 0.00 H new ATOM 0 HA ASN B 21 -9.977 14.136 5.566 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -11.275 12.651 3.207 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -12.160 13.115 4.647 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -12.897 15.912 2.375 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -13.381 14.240 2.674 1.00 0.00 H new ATOM 1263 N LEU B 22 -9.280 11.023 5.009 1.00 0.00 N ATOM 1264 CA LEU B 22 -9.175 9.682 5.657 1.00 0.00 C ATOM 1265 C LEU B 22 -8.152 9.675 6.792 1.00 0.00 C ATOM 1266 O LEU B 22 -7.252 10.499 6.852 1.00 0.00 O ATOM 1267 CB LEU B 22 -8.662 8.783 4.548 1.00 0.00 C ATOM 1268 CG LEU B 22 -9.105 7.336 4.735 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -10.593 7.183 4.383 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -8.259 6.460 3.809 1.00 0.00 C ATOM 0 H LEU B 22 -8.799 11.100 4.113 1.00 0.00 H new ATOM 0 HA LEU B 22 -10.129 9.376 6.087 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -9.022 9.151 3.587 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -7.573 8.828 4.519 1.00 0.00 H new ATOM 0 HG LEU B 22 -8.970 7.035 5.774 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -10.895 6.145 4.521 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -11.188 7.824 5.033 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -10.753 7.472 3.344 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -8.556 5.417 3.923 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -8.412 6.770 2.775 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.206 6.568 4.068 1.00 0.00 H new ATOM 1282 N ASN B 23 -8.266 8.697 7.651 1.00 0.00 N ATOM 1283 CA ASN B 23 -7.278 8.536 8.779 1.00 0.00 C ATOM 1284 C ASN B 23 -6.658 7.117 8.726 1.00 0.00 C ATOM 1285 O ASN B 23 -7.140 6.252 8.010 1.00 0.00 O ATOM 1286 CB ASN B 23 -8.037 8.836 10.095 1.00 0.00 C ATOM 1287 CG ASN B 23 -9.136 7.807 10.396 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -9.506 7.024 9.557 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -9.683 7.783 11.582 1.00 0.00 N ATOM 0 H ASN B 23 -9.004 7.993 7.626 1.00 0.00 H new ATOM 0 HA ASN B 23 -6.440 9.228 8.703 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -7.327 8.855 10.922 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -8.482 9.829 10.034 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -10.416 7.106 11.792 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -9.377 8.441 12.298 1.00 0.00 H new ATOM 1296 N ASP B 24 -5.556 6.904 9.429 1.00 0.00 N ATOM 1297 CA ASP B 24 -4.816 5.579 9.385 1.00 0.00 C ATOM 1298 C ASP B 24 -5.690 4.286 9.471 1.00 0.00 C ATOM 1299 O ASP B 24 -5.371 3.349 8.761 1.00 0.00 O ATOM 1300 CB ASP B 24 -3.733 5.628 10.493 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.335 5.719 11.900 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -4.693 6.815 12.304 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -4.410 4.692 12.556 1.00 0.00 O ATOM 0 H ASP B 24 -5.131 7.601 10.041 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.382 5.483 8.390 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.109 4.737 10.426 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -3.083 6.486 10.323 1.00 0.00 H new ATOM 1308 N PRO B 25 -6.739 4.223 10.299 1.00 0.00 N ATOM 1309 CA PRO B 25 -7.556 2.966 10.371 1.00 0.00 C ATOM 1310 C PRO B 25 -8.351 2.683 9.070 1.00 0.00 C ATOM 1311 O PRO B 25 -8.544 1.531 8.718 1.00 0.00 O ATOM 1312 CB PRO B 25 -8.507 3.214 11.540 1.00 0.00 C ATOM 1313 CG PRO B 25 -8.609 4.697 11.636 1.00 0.00 C ATOM 1314 CD PRO B 25 -7.271 5.244 11.223 1.00 0.00 C ATOM 0 HA PRO B 25 -6.922 2.089 10.501 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -9.482 2.761 11.360 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -8.120 2.783 12.463 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.399 5.074 10.987 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -8.857 5.004 12.652 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -7.369 6.213 10.734 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -6.615 5.386 12.082 1.00 0.00 H new ATOM 1322 N GLN B 26 -8.813 3.706 8.360 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.600 3.455 7.097 1.00 0.00 C ATOM 1324 C GLN B 26 -8.652 2.981 5.998 1.00 0.00 C ATOM 1325 O GLN B 26 -8.841 1.914 5.449 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.254 4.789 6.716 1.00 0.00 C ATOM 1327 CG GLN B 26 -11.027 5.375 7.907 1.00 0.00 C ATOM 1328 CD GLN B 26 -12.373 4.681 8.120 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -12.556 3.523 7.797 1.00 0.00 O ATOM 1330 NE2 GLN B 26 -13.328 5.365 8.671 1.00 0.00 N ATOM 0 H GLN B 26 -8.679 4.688 8.600 1.00 0.00 H new ATOM 0 HA GLN B 26 -10.359 2.685 7.236 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -9.490 5.494 6.390 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -10.931 4.641 5.874 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -10.425 5.281 8.811 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -11.191 6.440 7.743 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -13.170 6.336 8.940 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -14.237 4.932 8.835 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.613 3.760 5.695 1.00 0.00 N ATOM 1340 CA LYS B 27 -6.606 3.339 4.645 1.00 0.00 C ATOM 1341 C LYS B 27 -6.098 1.937 4.953 1.00 0.00 C ATOM 1342 O LYS B 27 -5.939 1.131 4.059 1.00 0.00 O ATOM 1343 CB LYS B 27 -5.434 4.343 4.645 1.00 0.00 C ATOM 1344 CG LYS B 27 -5.034 4.834 6.049 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.422 6.234 5.930 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.496 7.278 5.571 1.00 0.00 C ATOM 1347 NZ LYS B 27 -4.948 8.589 6.032 1.00 0.00 N ATOM 0 H LYS B 27 -7.425 4.663 6.130 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.076 3.330 3.662 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -4.569 3.877 4.174 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -5.705 5.203 4.033 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -5.906 4.858 6.702 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -4.318 4.147 6.499 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -3.945 6.507 6.871 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.644 6.231 5.167 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -5.690 7.289 4.498 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -6.442 7.053 6.063 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -5.700 9.307 6.007 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.592 8.494 7.004 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.170 8.880 5.406 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.892 1.638 6.214 1.00 0.00 N ATOM 1362 CA LYS B 28 -5.442 0.268 6.614 1.00 0.00 C ATOM 1363 C LYS B 28 -6.463 -0.778 6.125 1.00 0.00 C ATOM 1364 O LYS B 28 -6.099 -1.805 5.581 1.00 0.00 O ATOM 1365 CB LYS B 28 -5.477 0.263 8.158 1.00 0.00 C ATOM 1366 CG LYS B 28 -4.075 0.265 8.728 1.00 0.00 C ATOM 1367 CD LYS B 28 -3.583 -1.177 8.884 1.00 0.00 C ATOM 1368 CE LYS B 28 -2.050 -1.235 8.811 1.00 0.00 C ATOM 1369 NZ LYS B 28 -1.544 -0.557 10.046 1.00 0.00 N ATOM 0 H LYS B 28 -6.018 2.290 6.988 1.00 0.00 H new ATOM 0 HA LYS B 28 -4.461 0.035 6.201 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -6.021 1.137 8.517 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.017 -0.616 8.511 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -3.405 0.820 8.071 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -4.065 0.770 9.694 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -3.923 -1.582 9.837 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -4.014 -1.801 8.101 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -1.702 -2.267 8.764 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -1.684 -0.734 7.915 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -1.042 0.315 9.783 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -2.345 -0.322 10.666 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -0.892 -1.193 10.549 1.00 0.00 H new ATOM 1383 N ALA B 29 -7.742 -0.505 6.354 1.00 0.00 N ATOM 1384 CA ALA B 29 -8.841 -1.451 5.957 1.00 0.00 C ATOM 1385 C ALA B 29 -8.859 -1.720 4.446 1.00 0.00 C ATOM 1386 O ALA B 29 -8.880 -2.873 4.044 1.00 0.00 O ATOM 1387 CB ALA B 29 -10.147 -0.776 6.395 1.00 0.00 C ATOM 0 H ALA B 29 -8.067 0.349 6.807 1.00 0.00 H new ATOM 0 HA ALA B 29 -8.697 -2.423 6.430 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -10.991 -1.414 6.135 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -10.131 -0.617 7.473 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -10.248 0.184 5.889 1.00 0.00 H new ATOM 1393 N PHE B 30 -8.841 -0.694 3.595 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.850 -0.998 2.119 1.00 0.00 C ATOM 1395 C PHE B 30 -7.449 -1.400 1.631 1.00 0.00 C ATOM 1396 O PHE B 30 -7.352 -2.200 0.737 1.00 0.00 O ATOM 1397 CB PHE B 30 -9.376 0.183 1.252 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.851 1.404 2.001 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -8.922 2.351 2.399 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -11.219 1.631 2.209 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -9.348 3.521 3.024 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -11.641 2.806 2.820 1.00 0.00 C ATOM 1403 CZ PHE B 30 -10.707 3.754 3.230 1.00 0.00 C ATOM 0 H PHE B 30 -8.821 0.293 3.850 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.541 -1.831 1.994 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.581 0.487 0.571 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -10.199 -0.183 0.638 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -7.869 2.183 2.225 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -11.943 0.894 1.895 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -8.622 4.251 3.350 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -12.695 2.984 2.977 1.00 0.00 H new ATOM 0 HZ PHE B 30 -11.034 4.667 3.706 1.00 0.00 H new ATOM 1413 N ILE B 31 -6.362 -0.873 2.190 1.00 0.00 N ATOM 1414 CA ILE B 31 -5.003 -1.301 1.688 1.00 0.00 C ATOM 1415 C ILE B 31 -4.795 -2.803 1.950 1.00 0.00 C ATOM 1416 O ILE B 31 -4.389 -3.532 1.064 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.916 -0.483 2.414 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.837 0.940 1.794 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.546 -1.205 2.270 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.402 1.307 1.494 1.00 0.00 C ATOM 0 H ILE B 31 -6.359 -0.189 2.946 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.937 -1.122 0.615 1.00 0.00 H new ATOM 0 HB ILE B 31 -4.165 -0.396 3.472 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -4.427 0.978 0.878 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -4.269 1.667 2.482 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.775 -0.629 2.782 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.610 -2.199 2.712 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.291 -1.294 1.214 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -2.365 2.306 1.060 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.822 1.290 2.416 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.983 0.590 0.788 1.00 0.00 H new ATOM 1432 N PHE B 32 -5.060 -3.261 3.162 1.00 0.00 N ATOM 1433 CA PHE B 32 -4.871 -4.717 3.477 1.00 0.00 C ATOM 1434 C PHE B 32 -5.808 -5.568 2.589 1.00 0.00 C ATOM 1435 O PHE B 32 -5.399 -6.596 2.082 1.00 0.00 O ATOM 1436 CB PHE B 32 -5.136 -4.875 4.995 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.823 -4.667 5.757 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -3.115 -3.436 5.661 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -3.272 -5.717 6.547 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.906 -3.288 6.320 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -2.063 -5.528 7.198 1.00 0.00 C ATOM 1442 CZ PHE B 32 -1.387 -4.329 7.079 1.00 0.00 C ATOM 0 H PHE B 32 -5.396 -2.690 3.938 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.864 -5.071 3.258 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.881 -4.150 5.324 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.540 -5.865 5.205 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.518 -2.622 5.077 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.795 -6.658 6.638 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.363 -2.357 6.243 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.647 -6.322 7.801 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.441 -4.199 7.584 1.00 0.00 H new ATOM 1452 N SER B 33 -7.031 -5.114 2.328 1.00 0.00 N ATOM 1453 CA SER B 33 -7.934 -5.879 1.393 1.00 0.00 C ATOM 1454 C SER B 33 -7.453 -5.682 -0.071 1.00 0.00 C ATOM 1455 O SER B 33 -7.580 -6.571 -0.886 1.00 0.00 O ATOM 1456 CB SER B 33 -9.356 -5.334 1.609 1.00 0.00 C ATOM 1457 OG SER B 33 -9.425 -3.977 1.210 1.00 0.00 O ATOM 0 H SER B 33 -7.431 -4.261 2.718 1.00 0.00 H new ATOM 0 HA SER B 33 -7.916 -6.951 1.590 1.00 0.00 H new ATOM 0 HB2 SER B 33 -10.071 -5.926 1.037 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.633 -5.427 2.659 1.00 0.00 H new ATOM 0 HG SER B 33 -8.526 -3.587 1.218 1.00 0.00 H new ATOM 1463 N LEU B 34 -6.862 -4.528 -0.385 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.307 -4.260 -1.768 1.00 0.00 C ATOM 1465 C LEU B 34 -5.145 -5.223 -2.033 1.00 0.00 C ATOM 1466 O LEU B 34 -5.014 -5.764 -3.111 1.00 0.00 O ATOM 1467 CB LEU B 34 -5.801 -2.795 -1.725 1.00 0.00 C ATOM 1468 CG LEU B 34 -5.167 -2.361 -3.045 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -6.251 -1.899 -4.028 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.195 -1.199 -2.788 1.00 0.00 C ATOM 0 H LEU B 34 -6.743 -3.756 0.271 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.045 -4.403 -2.557 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.634 -2.132 -1.489 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.072 -2.688 -0.922 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.631 -3.208 -3.473 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.786 -1.592 -4.965 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.943 -2.719 -4.218 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.795 -1.057 -3.600 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.742 -0.889 -3.730 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.738 -0.360 -2.353 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.415 -1.523 -2.099 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.313 -5.444 -1.033 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.162 -6.379 -1.187 1.00 0.00 C ATOM 1484 C TRP B 35 -3.646 -7.831 -1.380 1.00 0.00 C ATOM 1485 O TRP B 35 -3.166 -8.535 -2.248 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.372 -6.274 0.112 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.156 -7.110 -0.044 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -0.930 -8.295 0.558 1.00 0.00 C ATOM 1489 CD2 TRP B 35 -0.021 -6.863 -0.900 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.273 -8.783 0.126 1.00 0.00 N ATOM 1491 CE2 TRP B 35 0.885 -7.926 -0.761 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.308 -5.818 -1.767 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 2.083 -7.951 -1.459 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.510 -5.841 -2.468 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.392 -6.899 -2.313 1.00 0.00 C ATOM 0 H TRP B 35 -4.390 -5.009 -0.114 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.565 -6.121 -2.061 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.103 -5.238 0.316 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -2.970 -6.619 0.955 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.589 -8.779 1.264 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.669 -9.674 0.425 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.373 -4.989 -1.894 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.768 -8.778 -1.340 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.757 -5.030 -3.137 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.324 -6.906 -2.859 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.580 -8.275 -0.558 1.00 0.00 N ATOM 1507 CA ASP B 36 -5.094 -9.678 -0.663 1.00 0.00 C ATOM 1508 C ASP B 36 -5.978 -9.834 -1.900 1.00 0.00 C ATOM 1509 O ASP B 36 -5.909 -10.835 -2.592 1.00 0.00 O ATOM 1510 CB ASP B 36 -5.910 -9.914 0.621 1.00 0.00 C ATOM 1511 CG ASP B 36 -5.668 -11.337 1.132 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -6.397 -12.225 0.720 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -4.758 -11.512 1.927 1.00 0.00 O ATOM 0 H ASP B 36 -5.006 -7.718 0.183 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.283 -10.400 -0.763 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -5.624 -9.190 1.384 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -6.971 -9.764 0.422 1.00 0.00 H new ATOM 1518 N ASP B 37 -6.812 -8.848 -2.178 1.00 0.00 N ATOM 1519 CA ASP B 37 -7.708 -8.923 -3.358 1.00 0.00 C ATOM 1520 C ASP B 37 -7.695 -7.592 -4.139 1.00 0.00 C ATOM 1521 O ASP B 37 -8.639 -6.818 -4.063 1.00 0.00 O ATOM 1522 CB ASP B 37 -9.103 -9.230 -2.782 1.00 0.00 C ATOM 1523 CG ASP B 37 -9.157 -10.684 -2.290 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -9.413 -11.555 -3.104 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -8.939 -10.898 -1.106 1.00 0.00 O ATOM 0 H ASP B 37 -6.901 -7.995 -1.626 1.00 0.00 H new ATOM 0 HA ASP B 37 -7.394 -9.687 -4.069 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.324 -8.550 -1.959 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -9.865 -9.066 -3.544 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.625 -7.375 -4.899 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.513 -6.140 -5.732 1.00 0.00 C ATOM 1532 C PRO B 38 -7.502 -6.151 -6.916 1.00 0.00 C ATOM 1533 O PRO B 38 -7.604 -5.172 -7.627 1.00 0.00 O ATOM 1534 CB PRO B 38 -5.078 -6.158 -6.231 1.00 0.00 C ATOM 1535 CG PRO B 38 -4.684 -7.599 -6.191 1.00 0.00 C ATOM 1536 CD PRO B 38 -5.437 -8.230 -5.052 1.00 0.00 C ATOM 0 HA PRO B 38 -6.755 -5.243 -5.161 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -5.004 -5.755 -7.241 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.430 -5.552 -5.598 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -4.926 -8.091 -7.133 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.609 -7.701 -6.046 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.712 -9.260 -5.277 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -4.839 -8.251 -4.141 1.00 0.00 H new ATOM 1544 N SER B 39 -8.254 -7.230 -7.118 1.00 0.00 N ATOM 1545 CA SER B 39 -9.269 -7.260 -8.236 1.00 0.00 C ATOM 1546 C SER B 39 -10.236 -6.078 -8.053 1.00 0.00 C ATOM 1547 O SER B 39 -10.671 -5.460 -9.009 1.00 0.00 O ATOM 1548 CB SER B 39 -10.013 -8.587 -8.072 1.00 0.00 C ATOM 1549 OG SER B 39 -10.311 -9.124 -9.353 1.00 0.00 O ATOM 0 H SER B 39 -8.205 -8.082 -6.559 1.00 0.00 H new ATOM 0 HA SER B 39 -8.816 -7.179 -9.224 1.00 0.00 H new ATOM 0 HB2 SER B 39 -9.404 -9.290 -7.504 1.00 0.00 H new ATOM 0 HB3 SER B 39 -10.933 -8.433 -7.507 1.00 0.00 H new ATOM 0 HG SER B 39 -10.786 -9.975 -9.249 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.529 -5.746 -6.806 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.423 -4.581 -6.488 1.00 0.00 C ATOM 1557 C GLN B 40 -10.580 -3.297 -6.304 1.00 0.00 C ATOM 1558 O GLN B 40 -11.012 -2.392 -5.626 1.00 0.00 O ATOM 1559 CB GLN B 40 -12.107 -4.914 -5.147 1.00 0.00 C ATOM 1560 CG GLN B 40 -12.602 -6.361 -5.111 1.00 0.00 C ATOM 1561 CD GLN B 40 -13.757 -6.494 -4.111 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -14.786 -7.054 -4.430 1.00 0.00 O ATOM 1563 NE2 GLN B 40 -13.631 -6.000 -2.909 1.00 0.00 N ATOM 0 H GLN B 40 -10.179 -6.244 -5.987 1.00 0.00 H new ATOM 0 HA GLN B 40 -12.142 -4.414 -7.290 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -11.406 -4.748 -4.329 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -12.947 -4.238 -4.988 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -12.932 -6.666 -6.104 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.786 -7.026 -4.828 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.767 -5.529 -2.639 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -14.396 -6.085 -2.240 1.00 0.00 H new ATOM 1572 N SER B 41 -9.373 -3.217 -6.861 1.00 0.00 N ATOM 1573 CA SER B 41 -8.506 -1.997 -6.665 1.00 0.00 C ATOM 1574 C SER B 41 -9.226 -0.703 -7.078 1.00 0.00 C ATOM 1575 O SER B 41 -9.130 0.295 -6.385 1.00 0.00 O ATOM 1576 CB SER B 41 -7.265 -2.211 -7.523 1.00 0.00 C ATOM 1577 OG SER B 41 -7.629 -2.404 -8.887 1.00 0.00 O ATOM 0 H SER B 41 -8.958 -3.947 -7.441 1.00 0.00 H new ATOM 0 HA SER B 41 -8.256 -1.880 -5.611 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.602 -1.350 -7.436 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.711 -3.078 -7.162 1.00 0.00 H new ATOM 0 HG SER B 41 -7.048 -3.084 -9.288 1.00 0.00 H new ATOM 1583 N ALA B 42 -9.973 -0.720 -8.173 1.00 0.00 N ATOM 1584 CA ALA B 42 -10.737 0.507 -8.587 1.00 0.00 C ATOM 1585 C ALA B 42 -11.806 0.794 -7.522 1.00 0.00 C ATOM 1586 O ALA B 42 -11.961 1.917 -7.074 1.00 0.00 O ATOM 1587 CB ALA B 42 -11.382 0.167 -9.937 1.00 0.00 C ATOM 0 H ALA B 42 -10.082 -1.526 -8.789 1.00 0.00 H new ATOM 0 HA ALA B 42 -10.105 1.391 -8.679 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -11.954 1.024 -10.293 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -10.604 -0.076 -10.661 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -12.046 -0.689 -9.818 1.00 0.00 H new ATOM 1593 N ASN B 43 -12.507 -0.242 -7.084 1.00 0.00 N ATOM 1594 CA ASN B 43 -13.534 -0.097 -6.010 1.00 0.00 C ATOM 1595 C ASN B 43 -12.867 0.290 -4.670 1.00 0.00 C ATOM 1596 O ASN B 43 -13.469 0.970 -3.867 1.00 0.00 O ATOM 1597 CB ASN B 43 -14.204 -1.475 -5.900 1.00 0.00 C ATOM 1598 CG ASN B 43 -15.422 -1.390 -4.975 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -16.458 -0.880 -5.356 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -15.337 -1.865 -3.761 1.00 0.00 N ATOM 0 H ASN B 43 -12.400 -1.192 -7.439 1.00 0.00 H new ATOM 0 HA ASN B 43 -14.255 0.688 -6.241 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -14.510 -1.820 -6.888 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -13.493 -2.205 -5.513 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -16.139 -1.808 -3.134 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -14.468 -2.293 -3.440 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.634 -0.142 -4.433 1.00 0.00 N ATOM 1608 CA LEU B 44 -10.922 0.196 -3.153 1.00 0.00 C ATOM 1609 C LEU B 44 -10.536 1.667 -3.140 1.00 0.00 C ATOM 1610 O LEU B 44 -10.807 2.378 -2.194 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.690 -0.708 -3.151 1.00 0.00 C ATOM 1612 CG LEU B 44 -10.065 -2.027 -2.488 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.299 -3.184 -3.140 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -9.716 -1.915 -1.008 1.00 0.00 C ATOM 0 H LEU B 44 -11.094 -0.717 -5.080 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.538 0.037 -2.268 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.344 -0.880 -4.170 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -8.871 -0.232 -2.612 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.129 -2.229 -2.608 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.576 -4.121 -2.657 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.549 -3.234 -4.200 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.227 -3.020 -3.027 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -9.973 -2.846 -0.502 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.648 -1.726 -0.899 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.277 -1.093 -0.563 1.00 0.00 H new ATOM 1626 N LEU B 45 -9.946 2.118 -4.211 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.569 3.563 -4.353 1.00 0.00 C ATOM 1628 C LEU B 45 -10.847 4.409 -4.276 1.00 0.00 C ATOM 1629 O LEU B 45 -10.874 5.442 -3.627 1.00 0.00 O ATOM 1630 CB LEU B 45 -8.915 3.681 -5.732 1.00 0.00 C ATOM 1631 CG LEU B 45 -7.761 4.678 -5.665 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -6.897 4.511 -6.908 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -8.310 6.106 -5.595 1.00 0.00 C ATOM 0 H LEU B 45 -9.702 1.538 -5.014 1.00 0.00 H new ATOM 0 HA LEU B 45 -8.891 3.909 -3.573 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -8.550 2.707 -6.057 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -9.650 4.008 -6.468 1.00 0.00 H new ATOM 0 HG LEU B 45 -7.162 4.492 -4.773 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -6.068 5.218 -6.873 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -6.505 3.494 -6.945 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -7.498 4.701 -7.797 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -7.481 6.812 -5.547 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -8.910 6.309 -6.482 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -8.930 6.214 -4.705 1.00 0.00 H new ATOM 1645 N ALA B 46 -11.919 3.929 -4.887 1.00 0.00 N ATOM 1646 CA ALA B 46 -13.232 4.642 -4.808 1.00 0.00 C ATOM 1647 C ALA B 46 -13.712 4.599 -3.353 1.00 0.00 C ATOM 1648 O ALA B 46 -14.135 5.597 -2.816 1.00 0.00 O ATOM 1649 CB ALA B 46 -14.177 3.840 -5.701 1.00 0.00 C ATOM 0 H ALA B 46 -11.932 3.070 -5.437 1.00 0.00 H new ATOM 0 HA ALA B 46 -13.177 5.684 -5.124 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -15.164 4.303 -5.695 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -13.790 3.825 -6.720 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -14.252 2.819 -5.327 1.00 0.00 H new ATOM 1655 N GLU B 47 -13.600 3.440 -2.710 1.00 0.00 N ATOM 1656 CA GLU B 47 -13.997 3.300 -1.274 1.00 0.00 C ATOM 1657 C GLU B 47 -13.163 4.257 -0.410 1.00 0.00 C ATOM 1658 O GLU B 47 -13.658 4.817 0.542 1.00 0.00 O ATOM 1659 CB GLU B 47 -13.692 1.836 -0.889 1.00 0.00 C ATOM 1660 CG GLU B 47 -14.298 1.523 0.491 1.00 0.00 C ATOM 1661 CD GLU B 47 -15.822 1.715 0.457 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -16.494 0.893 -0.146 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -16.287 2.686 1.034 1.00 0.00 O ATOM 0 H GLU B 47 -13.245 2.584 -3.135 1.00 0.00 H new ATOM 0 HA GLU B 47 -15.049 3.542 -1.120 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -14.103 1.160 -1.639 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -12.615 1.672 -0.869 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -14.059 0.499 0.777 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -13.859 2.175 1.246 1.00 0.00 H new ATOM 1670 N ALA B 48 -11.908 4.455 -0.768 1.00 0.00 N ATOM 1671 CA ALA B 48 -11.018 5.392 -0.009 1.00 0.00 C ATOM 1672 C ALA B 48 -11.565 6.822 -0.144 1.00 0.00 C ATOM 1673 O ALA B 48 -11.777 7.499 0.844 1.00 0.00 O ATOM 1674 CB ALA B 48 -9.626 5.261 -0.660 1.00 0.00 C ATOM 0 H ALA B 48 -11.462 3.999 -1.564 1.00 0.00 H new ATOM 0 HA ALA B 48 -10.969 5.161 1.055 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -8.923 5.921 -0.152 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.281 4.231 -0.576 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -9.689 5.538 -1.712 1.00 0.00 H new ATOM 1680 N LYS B 49 -11.826 7.260 -1.365 1.00 0.00 N ATOM 1681 CA LYS B 49 -12.394 8.637 -1.596 1.00 0.00 C ATOM 1682 C LYS B 49 -13.812 8.747 -1.005 1.00 0.00 C ATOM 1683 O LYS B 49 -14.124 9.701 -0.328 1.00 0.00 O ATOM 1684 CB LYS B 49 -12.431 8.822 -3.123 1.00 0.00 C ATOM 1685 CG LYS B 49 -11.004 8.884 -3.683 1.00 0.00 C ATOM 1686 CD LYS B 49 -11.054 9.165 -5.189 1.00 0.00 C ATOM 1687 CE LYS B 49 -9.637 9.079 -5.782 1.00 0.00 C ATOM 1688 NZ LYS B 49 -9.416 10.368 -6.503 1.00 0.00 N ATOM 0 H LYS B 49 -11.668 6.718 -2.214 1.00 0.00 H new ATOM 0 HA LYS B 49 -11.790 9.404 -1.112 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -12.975 7.997 -3.584 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -12.968 9.737 -3.373 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -10.437 9.665 -3.176 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.488 7.942 -3.496 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -11.708 8.445 -5.681 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -11.475 10.154 -5.370 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -8.893 8.938 -4.998 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -9.549 8.231 -6.461 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -8.467 10.369 -6.929 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -10.131 10.475 -7.251 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -9.496 11.159 -5.832 1.00 0.00 H new ATOM 1702 N LYS B 50 -14.665 7.771 -1.253 1.00 0.00 N ATOM 1703 CA LYS B 50 -16.070 7.802 -0.698 1.00 0.00 C ATOM 1704 C LYS B 50 -16.042 7.812 0.840 1.00 0.00 C ATOM 1705 O LYS B 50 -16.773 8.553 1.471 1.00 0.00 O ATOM 1706 CB LYS B 50 -16.742 6.516 -1.198 1.00 0.00 C ATOM 1707 CG LYS B 50 -17.082 6.639 -2.690 1.00 0.00 C ATOM 1708 CD LYS B 50 -17.225 5.239 -3.315 1.00 0.00 C ATOM 1709 CE LYS B 50 -18.386 4.469 -2.659 1.00 0.00 C ATOM 1710 NZ LYS B 50 -17.748 3.386 -1.845 1.00 0.00 N ATOM 0 H LYS B 50 -14.449 6.950 -1.818 1.00 0.00 H new ATOM 0 HA LYS B 50 -16.605 8.695 -1.020 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -16.080 5.665 -1.038 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -17.650 6.325 -0.625 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -18.009 7.199 -2.815 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -16.300 7.198 -3.205 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -17.401 5.330 -4.387 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -16.296 4.683 -3.191 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -18.987 5.127 -2.032 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -19.053 4.050 -3.413 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -18.485 2.765 -1.455 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -17.109 2.829 -2.448 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -17.206 3.811 -1.066 1.00 0.00 H new ATOM 1724 N LEU B 51 -15.190 6.995 1.431 1.00 0.00 N ATOM 1725 CA LEU B 51 -15.084 6.938 2.925 1.00 0.00 C ATOM 1726 C LEU B 51 -14.515 8.259 3.483 1.00 0.00 C ATOM 1727 O LEU B 51 -14.955 8.719 4.525 1.00 0.00 O ATOM 1728 CB LEU B 51 -14.146 5.752 3.222 1.00 0.00 C ATOM 1729 CG LEU B 51 -14.201 5.403 4.713 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -13.615 4.005 4.942 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -13.428 6.445 5.528 1.00 0.00 C ATOM 0 H LEU B 51 -14.562 6.363 0.935 1.00 0.00 H new ATOM 0 HA LEU B 51 -16.056 6.804 3.399 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -14.439 4.887 2.626 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -13.125 6.004 2.936 1.00 0.00 H new ATOM 0 HG LEU B 51 -15.240 5.408 5.042 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -13.657 3.762 6.004 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -14.193 3.272 4.379 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -12.578 3.986 4.606 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -13.474 6.187 6.586 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -12.388 6.462 5.204 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -13.872 7.429 5.375 1.00 0.00 H new ATOM 1743 N ASN B 52 -13.553 8.873 2.805 1.00 0.00 N ATOM 1744 CA ASN B 52 -12.968 10.170 3.298 1.00 0.00 C ATOM 1745 C ASN B 52 -14.085 11.221 3.486 1.00 0.00 C ATOM 1746 O ASN B 52 -14.010 12.058 4.363 1.00 0.00 O ATOM 1747 CB ASN B 52 -11.905 10.565 2.228 1.00 0.00 C ATOM 1748 CG ASN B 52 -12.302 11.746 1.304 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -13.420 11.887 0.875 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -11.390 12.600 0.949 1.00 0.00 N ATOM 0 H ASN B 52 -13.152 8.527 1.933 1.00 0.00 H new ATOM 0 HA ASN B 52 -12.496 10.091 4.277 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -10.977 10.821 2.739 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -11.697 9.693 1.607 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -11.627 13.368 0.321 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -10.437 12.503 1.298 1.00 0.00 H new ATOM 1757 N ASP B 53 -15.125 11.156 2.670 1.00 0.00 N ATOM 1758 CA ASP B 53 -16.260 12.121 2.781 1.00 0.00 C ATOM 1759 C ASP B 53 -17.031 11.917 4.101 1.00 0.00 C ATOM 1760 O ASP B 53 -17.600 12.855 4.633 1.00 0.00 O ATOM 1761 CB ASP B 53 -17.176 11.814 1.590 1.00 0.00 C ATOM 1762 CG ASP B 53 -18.194 12.947 1.409 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -17.840 13.949 0.809 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -19.312 12.794 1.876 1.00 0.00 O ATOM 0 H ASP B 53 -15.227 10.464 1.927 1.00 0.00 H new ATOM 0 HA ASP B 53 -15.905 13.151 2.776 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -16.582 11.699 0.683 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -17.695 10.870 1.753 1.00 0.00 H new ATOM 1769 N ALA B 54 -17.061 10.696 4.624 1.00 0.00 N ATOM 1770 CA ALA B 54 -17.804 10.430 5.901 1.00 0.00 C ATOM 1771 C ALA B 54 -17.114 11.121 7.091 1.00 0.00 C ATOM 1772 O ALA B 54 -17.770 11.612 7.993 1.00 0.00 O ATOM 1773 CB ALA B 54 -17.777 8.906 6.053 1.00 0.00 C ATOM 0 H ALA B 54 -16.602 9.881 4.216 1.00 0.00 H new ATOM 0 HA ALA B 54 -18.821 10.821 5.878 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -18.301 8.622 6.966 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -18.267 8.446 5.195 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -16.743 8.564 6.106 1.00 0.00 H new ATOM 1779 N GLN B 55 -15.797 11.169 7.083 1.00 0.00 N ATOM 1780 CA GLN B 55 -15.031 11.833 8.190 1.00 0.00 C ATOM 1781 C GLN B 55 -14.877 13.340 7.917 1.00 0.00 C ATOM 1782 O GLN B 55 -14.906 14.143 8.835 1.00 0.00 O ATOM 1783 CB GLN B 55 -13.675 11.123 8.184 1.00 0.00 C ATOM 1784 CG GLN B 55 -13.844 9.705 8.746 1.00 0.00 C ATOM 1785 CD GLN B 55 -12.602 8.875 8.434 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -12.050 8.239 9.306 1.00 0.00 O ATOM 1787 NE2 GLN B 55 -12.136 8.854 7.217 1.00 0.00 N ATOM 0 H GLN B 55 -15.215 10.770 6.346 1.00 0.00 H new ATOM 0 HA GLN B 55 -15.531 11.756 9.156 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -13.278 11.080 7.170 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -12.956 11.681 8.784 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -14.003 9.747 9.823 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -14.726 9.234 8.312 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -12.601 9.389 6.484 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -11.307 8.302 6.998 1.00 0.00 H new ATOM 1796 N ALA B 56 -14.708 13.721 6.662 1.00 0.00 N ATOM 1797 CA ALA B 56 -14.540 15.168 6.305 1.00 0.00 C ATOM 1798 C ALA B 56 -15.233 15.481 4.963 1.00 0.00 C ATOM 1799 O ALA B 56 -15.367 14.606 4.135 1.00 0.00 O ATOM 1800 CB ALA B 56 -13.031 15.343 6.176 1.00 0.00 C ATOM 0 H ALA B 56 -14.680 13.081 5.868 1.00 0.00 H new ATOM 0 HA ALA B 56 -14.982 15.836 7.044 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -12.806 16.377 5.915 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -12.554 15.096 7.124 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -12.653 14.681 5.397 1.00 0.00 H new