USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 653 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 21 SER OG : rot 65:sc= 0.987 USER MOD Set 1.2: A 23 HIS : no HE2:sc= -9.26! C(o=-11!,f=-11!) USER MOD Set 1.3: A 55 SER OG : rot 90:sc= -2.28! USER MOD Set 2.1: A 5 CYS SG : rot 101:sc= 2.71 USER MOD Set 2.2: A 10 CYS SG : rot -180:sc= -0.976! USER MOD Set 2.3: A 12 ASN : amide:sc= -1.96! C(o=-8.5!,f=-9.3!) USER MOD Set 2.4: A 54 CYS SG : rot -93:sc= -4.41! USER MOD Set 2.5: A 57 HIS : no HD1:sc= -3.87! C(o=-8.5!,f=-23!) USER MOD Single : A 3 GLN : amide:sc= -0.701 K(o=-0.7,f=0) USER MOD Single : A 4 SER OG : rot 77:sc= 0.422 USER MOD Single : A 6 SER OG : rot -29:sc= 0.309 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -162:sc= 1.27 (180deg=0.862) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0646 USER MOD Single : A 33 CYS SG : rot 25:sc= -1.93! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -1.48 K(o=-1.5,f=-3.5!) USER MOD Single : A 46 LYS NZ :NH3+ 162:sc= 0.00662 (180deg=-0.251) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -143:sc= 1.18 (180deg=0.555) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -75:sc= -3.01! USER MOD Single : A 52 SER OG : rot 180:sc= 0.00489 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0128 USER MOD Single : A 62 SER OG : rot -147:sc= -1.92 USER MOD Single : A 64 LYS NZ :NH3+ -157:sc= 0.398 (180deg=-0.967!) USER MOD Single : A 67 SER OG : rot -130:sc= -3.26! USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 69 ASN : amide:sc= -0.0824 K(o=-0.082,f=-0.74) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 157:sc= -0.351 (180deg=-1.04) USER MOD Single : A 75 ASN : amide:sc= -0.84 K(o=-0.84,f=-0.12) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLN A 3 -7.928 -4.330 -6.086 1.00 10.00 N ATOM 37 CA GLN A 3 -9.288 -3.931 -5.775 1.00 10.00 C ATOM 38 C GLN A 3 -9.429 -2.413 -5.842 1.00 10.00 C ATOM 39 O GLN A 3 -10.084 -1.912 -6.760 1.00 10.00 O ATOM 40 CB GLN A 3 -9.719 -4.469 -4.396 1.00 10.00 C ATOM 41 CG GLN A 3 -9.527 -5.977 -4.254 1.00 10.00 C ATOM 42 CD GLN A 3 -10.084 -6.560 -2.959 1.00 10.00 C ATOM 43 OE1 GLN A 3 -9.521 -7.500 -2.408 1.00 10.00 O ATOM 44 NE2 GLN A 3 -11.199 -6.030 -2.473 1.00 10.00 N ATOM 0 HA GLN A 3 -9.952 -4.366 -6.522 1.00 10.00 H new ATOM 0 HB2 GLN A 3 -9.147 -3.961 -3.620 1.00 10.00 H new ATOM 0 HB3 GLN A 3 -10.768 -4.225 -4.229 1.00 10.00 H new ATOM 0 HG2 GLN A 3 -10.005 -6.474 -5.098 1.00 10.00 H new ATOM 0 HG3 GLN A 3 -8.462 -6.203 -4.313 1.00 10.00 H new ATOM 0 HE21 GLN A 3 -11.644 -5.248 -2.954 1.00 10.00 H new ATOM 0 HE22 GLN A 3 -11.611 -6.404 -1.618 1.00 10.00 H new ATOM 53 N SER A 4 -8.800 -1.681 -4.910 1.00 10.00 N ATOM 54 CA SER A 4 -8.874 -0.218 -4.922 1.00 10.00 C ATOM 55 C SER A 4 -8.195 0.388 -3.687 1.00 10.00 C ATOM 56 O SER A 4 -7.775 -0.328 -2.779 1.00 10.00 O ATOM 57 CB SER A 4 -10.362 0.188 -4.960 1.00 10.00 C ATOM 58 OG SER A 4 -10.646 1.396 -4.268 1.00 10.00 O ATOM 0 H SER A 4 -8.243 -2.073 -4.151 1.00 10.00 H new ATOM 0 HA SER A 4 -8.350 0.161 -5.799 1.00 10.00 H new ATOM 0 HB2 SER A 4 -10.673 0.294 -5.999 1.00 10.00 H new ATOM 0 HB3 SER A 4 -10.959 -0.616 -4.529 1.00 10.00 H new ATOM 0 HG SER A 4 -10.366 2.160 -4.815 1.00 10.00 H new ATOM 64 N CYS A 5 -8.103 1.721 -3.683 1.00 10.00 N ATOM 65 CA CYS A 5 -7.445 2.463 -2.615 1.00 10.00 C ATOM 66 C CYS A 5 -8.487 2.692 -1.522 1.00 10.00 C ATOM 67 O CYS A 5 -9.693 2.621 -1.751 1.00 10.00 O ATOM 68 CB CYS A 5 -6.934 3.799 -3.175 1.00 10.00 C ATOM 69 SG CYS A 5 -7.126 3.941 -4.964 1.00 10.00 S ATOM 0 H CYS A 5 -8.484 2.312 -4.422 1.00 10.00 H new ATOM 0 HA CYS A 5 -6.592 1.919 -2.209 1.00 10.00 H new ATOM 0 HB2 CYS A 5 -7.470 4.616 -2.693 1.00 10.00 H new ATOM 0 HB3 CYS A 5 -5.881 3.914 -2.919 1.00 10.00 H new ATOM 0 HG CYS A 5 -8.163 4.678 -5.232 1.00 10.00 H new ATOM 74 N SER A 6 -7.952 2.998 -0.323 1.00 10.00 N ATOM 75 CA SER A 6 -8.728 3.266 0.880 1.00 10.00 C ATOM 76 C SER A 6 -9.497 4.589 0.806 1.00 10.00 C ATOM 77 O SER A 6 -10.104 5.007 1.791 1.00 10.00 O ATOM 78 CB SER A 6 -7.784 3.266 2.089 1.00 10.00 C ATOM 79 OG SER A 6 -8.505 3.250 3.310 1.00 10.00 O ATOM 0 H SER A 6 -6.945 3.064 -0.173 1.00 10.00 H new ATOM 0 HA SER A 6 -9.476 2.479 0.980 1.00 10.00 H new ATOM 0 HB2 SER A 6 -7.129 2.396 2.041 1.00 10.00 H new ATOM 0 HB3 SER A 6 -7.145 4.149 2.054 1.00 10.00 H new ATOM 0 HG SER A 6 -9.368 3.698 3.186 1.00 10.00 H new ATOM 85 N ALA A 7 -9.410 5.259 -0.338 1.00 10.00 N ATOM 86 CA ALA A 7 -10.120 6.519 -0.573 1.00 10.00 C ATOM 87 C ALA A 7 -11.640 6.380 -0.424 1.00 10.00 C ATOM 88 O ALA A 7 -12.147 5.489 0.261 1.00 10.00 O ATOM 89 CB ALA A 7 -9.785 7.037 -1.958 1.00 10.00 C ATOM 0 H ALA A 7 -8.847 4.948 -1.130 1.00 10.00 H new ATOM 0 HA ALA A 7 -9.789 7.225 0.188 1.00 10.00 H new ATOM 0 HB1 ALA A 7 -10.313 7.974 -2.133 1.00 10.00 H new ATOM 0 HB2 ALA A 7 -8.711 7.206 -2.033 1.00 10.00 H new ATOM 0 HB3 ALA A 7 -10.090 6.304 -2.704 1.00 10.00 H new ATOM 95 N TYR A 8 -12.379 7.225 -1.119 1.00 10.00 N ATOM 96 CA TYR A 8 -13.824 7.190 -1.030 1.00 10.00 C ATOM 97 C TYR A 8 -14.393 6.644 -2.334 1.00 10.00 C ATOM 98 O TYR A 8 -14.953 7.381 -3.143 1.00 10.00 O ATOM 99 CB TYR A 8 -14.384 8.582 -0.716 1.00 10.00 C ATOM 100 CG TYR A 8 -15.873 8.617 -0.405 1.00 10.00 C ATOM 101 CD1 TYR A 8 -16.676 7.489 -0.548 1.00 10.00 C ATOM 102 CD2 TYR A 8 -16.475 9.790 0.027 1.00 10.00 C ATOM 103 CE1 TYR A 8 -18.026 7.529 -0.270 1.00 10.00 C ATOM 104 CE2 TYR A 8 -17.829 9.837 0.310 1.00 10.00 C ATOM 105 CZ TYR A 8 -18.597 8.703 0.159 1.00 10.00 C ATOM 106 OH TYR A 8 -19.941 8.743 0.449 1.00 10.00 O ATOM 0 H TYR A 8 -12.005 7.938 -1.746 1.00 10.00 H new ATOM 0 HA TYR A 8 -14.121 6.532 -0.213 1.00 10.00 H new ATOM 0 HB2 TYR A 8 -13.840 8.993 0.134 1.00 10.00 H new ATOM 0 HB3 TYR A 8 -14.189 9.236 -1.566 1.00 10.00 H new ATOM 0 HD1 TYR A 8 -16.232 6.563 -0.884 1.00 10.00 H new ATOM 0 HD2 TYR A 8 -15.877 10.682 0.144 1.00 10.00 H new ATOM 0 HE1 TYR A 8 -18.631 6.642 -0.389 1.00 10.00 H new ATOM 0 HE2 TYR A 8 -18.281 10.758 0.647 1.00 10.00 H new ATOM 0 HH TYR A 8 -20.186 9.646 0.740 1.00 10.00 H new ATOM 116 N GLY A 9 -14.199 5.350 -2.541 1.00 10.00 N ATOM 117 CA GLY A 9 -14.711 4.713 -3.731 1.00 10.00 C ATOM 118 C GLY A 9 -13.809 4.887 -4.931 1.00 10.00 C ATOM 119 O GLY A 9 -14.288 4.871 -6.063 1.00 10.00 O ATOM 0 H GLY A 9 -13.696 4.732 -1.905 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -14.846 3.649 -3.537 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -15.695 5.123 -3.961 1.00 10.00 H new ATOM 123 N CYS A 10 -12.505 5.032 -4.714 1.00 10.00 N ATOM 124 CA CYS A 10 -11.574 5.212 -5.808 1.00 10.00 C ATOM 125 C CYS A 10 -11.166 3.890 -6.417 1.00 10.00 C ATOM 126 O CYS A 10 -10.074 3.382 -6.147 1.00 10.00 O ATOM 127 CB CYS A 10 -10.338 5.982 -5.356 1.00 10.00 C ATOM 128 SG CYS A 10 -9.079 6.138 -6.637 1.00 10.00 S ATOM 0 H CYS A 10 -12.076 5.027 -3.789 1.00 10.00 H new ATOM 0 HA CYS A 10 -12.089 5.794 -6.573 1.00 10.00 H new ATOM 0 HB2 CYS A 10 -10.639 6.978 -5.030 1.00 10.00 H new ATOM 0 HB3 CYS A 10 -9.904 5.481 -4.490 1.00 10.00 H new ATOM 0 HG CYS A 10 -8.064 6.801 -6.169 1.00 10.00 H new ATOM 133 N LYS A 11 -12.076 3.300 -7.174 1.00 10.00 N ATOM 134 CA LYS A 11 -11.802 2.065 -7.878 1.00 10.00 C ATOM 135 C LYS A 11 -10.796 2.366 -8.977 1.00 10.00 C ATOM 136 O LYS A 11 -11.119 2.215 -10.154 1.00 10.00 O ATOM 137 CB LYS A 11 -13.081 1.487 -8.469 1.00 10.00 C ATOM 138 CG LYS A 11 -14.039 0.913 -7.434 1.00 10.00 C ATOM 139 CD LYS A 11 -13.523 -0.406 -6.873 1.00 10.00 C ATOM 140 CE LYS A 11 -14.467 -0.996 -5.835 1.00 10.00 C ATOM 141 NZ LYS A 11 -15.643 -1.656 -6.459 1.00 10.00 N ATOM 0 H LYS A 11 -13.019 3.663 -7.315 1.00 10.00 H new ATOM 0 HA LYS A 11 -11.397 1.324 -7.189 1.00 10.00 H new ATOM 0 HB2 LYS A 11 -13.594 2.268 -9.030 1.00 10.00 H new ATOM 0 HB3 LYS A 11 -12.819 0.703 -9.180 1.00 10.00 H new ATOM 0 HG2 LYS A 11 -14.172 1.628 -6.622 1.00 10.00 H new ATOM 0 HG3 LYS A 11 -15.018 0.759 -7.887 1.00 10.00 H new ATOM 0 HD2 LYS A 11 -13.390 -1.118 -7.687 1.00 10.00 H new ATOM 0 HD3 LYS A 11 -12.543 -0.249 -6.423 1.00 10.00 H new ATOM 0 HE2 LYS A 11 -13.927 -1.720 -5.225 1.00 10.00 H new ATOM 0 HE3 LYS A 11 -14.808 -0.206 -5.166 1.00 10.00 H new ATOM 0 HZ1 LYS A 11 -16.259 -2.043 -5.716 1.00 10.00 H new ATOM 0 HZ2 LYS A 11 -16.174 -0.960 -7.021 1.00 10.00 H new ATOM 0 HZ3 LYS A 11 -15.320 -2.427 -7.078 1.00 10.00 H new ATOM 155 N ASN A 12 -9.588 2.780 -8.633 1.00 10.00 N ATOM 156 CA ASN A 12 -8.572 3.110 -9.630 1.00 10.00 C ATOM 157 C ASN A 12 -7.782 1.891 -10.061 1.00 10.00 C ATOM 158 O ASN A 12 -6.585 1.999 -10.334 1.00 10.00 O ATOM 159 CB ASN A 12 -7.596 4.128 -9.076 1.00 10.00 C ATOM 160 CG ASN A 12 -7.573 5.411 -9.877 1.00 10.00 C ATOM 161 OD1 ASN A 12 -8.602 5.881 -10.359 1.00 10.00 O ATOM 162 ND2 ASN A 12 -6.390 5.973 -10.045 1.00 10.00 N ATOM 0 H ASN A 12 -9.282 2.897 -7.667 1.00 10.00 H new ATOM 0 HA ASN A 12 -9.103 3.515 -10.492 1.00 10.00 H new ATOM 0 HB2 ASN A 12 -7.861 4.354 -8.043 1.00 10.00 H new ATOM 0 HB3 ASN A 12 -6.596 3.696 -9.061 1.00 10.00 H new ATOM 0 HD21 ASN A 12 -6.305 6.830 -10.592 1.00 10.00 H new ATOM 0 HD22 ASN A 12 -5.561 5.550 -9.628 1.00 10.00 H new ATOM 169 N ARG A 13 -8.457 0.754 -10.024 1.00 10.00 N ATOM 170 CA ARG A 13 -7.913 -0.570 -10.403 1.00 10.00 C ATOM 171 C ARG A 13 -6.712 -0.447 -11.354 1.00 10.00 C ATOM 172 O ARG A 13 -6.768 0.311 -12.331 1.00 10.00 O ATOM 173 CB ARG A 13 -9.042 -1.365 -11.073 1.00 10.00 C ATOM 174 CG ARG A 13 -9.005 -2.885 -10.899 1.00 10.00 C ATOM 175 CD ARG A 13 -7.657 -3.484 -11.274 1.00 10.00 C ATOM 176 NE ARG A 13 -7.741 -4.921 -11.529 1.00 10.00 N ATOM 177 CZ ARG A 13 -6.999 -5.566 -12.429 1.00 10.00 C ATOM 178 NH1 ARG A 13 -6.160 -4.899 -13.211 1.00 10.00 N ATOM 179 NH2 ARG A 13 -7.114 -6.882 -12.556 1.00 10.00 N ATOM 0 H ARG A 13 -9.430 0.709 -9.722 1.00 10.00 H new ATOM 0 HA ARG A 13 -7.554 -1.080 -9.509 1.00 10.00 H new ATOM 0 HB2 ARG A 13 -9.993 -1.000 -10.684 1.00 10.00 H new ATOM 0 HB3 ARG A 13 -9.028 -1.144 -12.140 1.00 10.00 H new ATOM 0 HG2 ARG A 13 -9.234 -3.134 -9.863 1.00 10.00 H new ATOM 0 HG3 ARG A 13 -9.783 -3.337 -11.514 1.00 10.00 H new ATOM 0 HD2 ARG A 13 -7.273 -2.981 -12.162 1.00 10.00 H new ATOM 0 HD3 ARG A 13 -6.944 -3.301 -10.470 1.00 10.00 H new ATOM 0 HE ARG A 13 -8.410 -5.465 -10.984 1.00 10.00 H new ATOM 0 HH11 ARG A 13 -6.080 -3.886 -13.126 1.00 10.00 H new ATOM 0 HH12 ARG A 13 -5.595 -5.399 -13.897 1.00 10.00 H new ATOM 0 HH21 ARG A 13 -7.768 -7.396 -11.966 1.00 10.00 H new ATOM 0 HH22 ARG A 13 -6.548 -7.379 -13.244 1.00 10.00 H new ATOM 193 N TYR A 14 -5.642 -1.217 -11.078 1.00 10.00 N ATOM 194 CA TYR A 14 -4.421 -1.173 -11.888 1.00 10.00 C ATOM 195 C TYR A 14 -4.771 -1.258 -13.359 1.00 10.00 C ATOM 196 O TYR A 14 -5.269 -2.271 -13.859 1.00 10.00 O ATOM 197 CB TYR A 14 -3.458 -2.308 -11.524 1.00 10.00 C ATOM 198 CG TYR A 14 -2.028 -1.855 -11.251 1.00 10.00 C ATOM 199 CD1 TYR A 14 -1.321 -1.038 -12.144 1.00 10.00 C ATOM 200 CD2 TYR A 14 -1.385 -2.245 -10.082 1.00 10.00 C ATOM 201 CE1 TYR A 14 -0.021 -0.636 -11.864 1.00 10.00 C ATOM 202 CE2 TYR A 14 -0.092 -1.847 -9.804 1.00 10.00 C ATOM 203 CZ TYR A 14 0.585 -1.045 -10.695 1.00 10.00 C ATOM 204 OH TYR A 14 1.873 -0.649 -10.412 1.00 10.00 O ATOM 0 H TYR A 14 -5.604 -1.875 -10.300 1.00 10.00 H new ATOM 0 HA TYR A 14 -3.922 -0.226 -11.681 1.00 10.00 H new ATOM 0 HB2 TYR A 14 -3.838 -2.822 -10.641 1.00 10.00 H new ATOM 0 HB3 TYR A 14 -3.448 -3.034 -12.337 1.00 10.00 H new ATOM 0 HD1 TYR A 14 -1.793 -0.717 -13.061 1.00 10.00 H new ATOM 0 HD2 TYR A 14 -1.908 -2.873 -9.376 1.00 10.00 H new ATOM 0 HE1 TYR A 14 0.513 -0.005 -12.559 1.00 10.00 H new ATOM 0 HE2 TYR A 14 0.387 -2.164 -8.890 1.00 10.00 H new ATOM 0 HH TYR A 14 2.148 -1.024 -9.549 1.00 10.00 H new ATOM 214 N ASP A 15 -4.507 -0.162 -14.022 1.00 10.00 N ATOM 215 CA ASP A 15 -4.677 -0.029 -15.447 1.00 10.00 C ATOM 216 C ASP A 15 -3.495 0.781 -15.908 1.00 10.00 C ATOM 217 O ASP A 15 -3.351 1.941 -15.535 1.00 10.00 O ATOM 218 CB ASP A 15 -5.995 0.652 -15.827 1.00 10.00 C ATOM 219 CG ASP A 15 -6.259 0.589 -17.323 1.00 10.00 C ATOM 220 OD1 ASP A 15 -5.428 0.006 -18.052 1.00 10.00 O ATOM 221 OD2 ASP A 15 -7.294 1.125 -17.772 1.00 10.00 O ATOM 0 H ASP A 15 -4.158 0.686 -13.574 1.00 10.00 H new ATOM 0 HA ASP A 15 -4.724 -1.008 -15.924 1.00 10.00 H new ATOM 0 HB2 ASP A 15 -6.817 0.174 -15.294 1.00 10.00 H new ATOM 0 HB3 ASP A 15 -5.970 1.694 -15.507 1.00 10.00 H new ATOM 226 N LYS A 16 -2.638 0.151 -16.685 1.00 10.00 N ATOM 227 CA LYS A 16 -1.435 0.789 -17.197 1.00 10.00 C ATOM 228 C LYS A 16 -1.788 2.010 -18.047 1.00 10.00 C ATOM 229 O LYS A 16 -0.948 2.870 -18.326 1.00 10.00 O ATOM 230 CB LYS A 16 -0.671 -0.228 -18.023 1.00 10.00 C ATOM 231 CG LYS A 16 -0.873 -0.041 -19.522 1.00 10.00 C ATOM 232 CD LYS A 16 -0.892 -1.358 -20.265 1.00 10.00 C ATOM 233 CE LYS A 16 -1.530 -1.202 -21.636 1.00 10.00 C ATOM 234 NZ LYS A 16 -3.014 -1.175 -21.560 1.00 10.00 N ATOM 0 H LYS A 16 -2.753 -0.818 -16.981 1.00 10.00 H new ATOM 0 HA LYS A 16 -0.820 1.134 -16.366 1.00 10.00 H new ATOM 0 HB2 LYS A 16 0.392 -0.153 -17.792 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -0.989 -1.232 -17.740 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -1.811 0.487 -19.697 1.00 10.00 H new ATOM 0 HG3 LYS A 16 -0.075 0.587 -19.919 1.00 10.00 H new ATOM 0 HD2 LYS A 16 0.126 -1.732 -20.374 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -1.444 -2.098 -19.686 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -1.174 -0.282 -22.099 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -1.215 -2.024 -22.278 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -3.413 -1.374 -22.499 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -3.340 -1.896 -20.885 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -3.328 -0.236 -21.242 1.00 10.00 H new ATOM 248 N ASP A 17 -3.043 2.051 -18.452 1.00 10.00 N ATOM 249 CA ASP A 17 -3.562 3.138 -19.255 1.00 10.00 C ATOM 250 C ASP A 17 -3.597 4.414 -18.425 1.00 10.00 C ATOM 251 O ASP A 17 -3.488 5.520 -18.953 1.00 10.00 O ATOM 252 CB ASP A 17 -4.964 2.812 -19.744 1.00 10.00 C ATOM 253 CG ASP A 17 -4.970 2.158 -21.108 1.00 10.00 C ATOM 254 OD1 ASP A 17 -4.237 1.165 -21.308 1.00 10.00 O ATOM 255 OD2 ASP A 17 -5.698 2.649 -21.997 1.00 10.00 O ATOM 0 H ASP A 17 -3.731 1.330 -18.233 1.00 10.00 H new ATOM 0 HA ASP A 17 -2.911 3.279 -20.118 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -5.450 2.151 -19.027 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -5.553 3.728 -19.783 1.00 10.00 H new ATOM 260 N LYS A 18 -3.731 4.237 -17.116 1.00 10.00 N ATOM 261 CA LYS A 18 -3.764 5.350 -16.174 1.00 10.00 C ATOM 262 C LYS A 18 -2.383 5.474 -15.521 1.00 10.00 C ATOM 263 O LYS A 18 -1.688 4.471 -15.344 1.00 10.00 O ATOM 264 CB LYS A 18 -4.865 5.131 -15.120 1.00 10.00 C ATOM 265 CG LYS A 18 -4.400 4.424 -13.856 1.00 10.00 C ATOM 266 CD LYS A 18 -5.497 3.561 -13.245 1.00 10.00 C ATOM 267 CE LYS A 18 -6.797 4.329 -13.077 1.00 10.00 C ATOM 268 NZ LYS A 18 -7.907 3.729 -13.867 1.00 10.00 N ATOM 0 H LYS A 18 -3.820 3.320 -16.678 1.00 10.00 H new ATOM 0 HA LYS A 18 -3.999 6.277 -16.697 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -5.285 6.099 -14.846 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.670 4.550 -15.570 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -3.536 3.801 -14.087 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -4.073 5.165 -13.126 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -5.669 2.691 -13.879 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -5.168 3.189 -12.275 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -7.072 4.349 -12.023 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -6.649 5.363 -13.387 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -8.775 4.284 -13.723 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -7.656 3.733 -14.876 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -8.066 2.750 -13.554 1.00 10.00 H new ATOM 282 N PRO A 19 -1.944 6.687 -15.169 1.00 10.00 N ATOM 283 CA PRO A 19 -0.618 6.881 -14.587 1.00 10.00 C ATOM 284 C PRO A 19 -0.542 6.811 -13.054 1.00 10.00 C ATOM 285 O PRO A 19 -0.409 7.843 -12.388 1.00 10.00 O ATOM 286 CB PRO A 19 -0.273 8.289 -15.067 1.00 10.00 C ATOM 287 CG PRO A 19 -1.582 9.006 -15.196 1.00 10.00 C ATOM 288 CD PRO A 19 -2.663 7.959 -15.341 1.00 10.00 C ATOM 0 HA PRO A 19 0.060 6.084 -14.893 1.00 10.00 H new ATOM 0 HB2 PRO A 19 0.382 8.795 -14.358 1.00 10.00 H new ATOM 0 HB3 PRO A 19 0.253 8.259 -16.021 1.00 10.00 H new ATOM 0 HG2 PRO A 19 -1.766 9.628 -14.320 1.00 10.00 H new ATOM 0 HG3 PRO A 19 -1.572 9.669 -16.061 1.00 10.00 H new ATOM 0 HD2 PRO A 19 -3.443 8.082 -14.590 1.00 10.00 H new ATOM 0 HD3 PRO A 19 -3.147 8.016 -16.316 1.00 10.00 H new ATOM 296 N VAL A 20 -0.613 5.606 -12.487 1.00 10.00 N ATOM 297 CA VAL A 20 -0.523 5.453 -11.026 1.00 10.00 C ATOM 298 C VAL A 20 0.182 4.149 -10.618 1.00 10.00 C ATOM 299 O VAL A 20 0.156 3.154 -11.344 1.00 10.00 O ATOM 300 CB VAL A 20 -1.910 5.504 -10.288 1.00 10.00 C ATOM 301 CG1 VAL A 20 -2.864 6.546 -10.856 1.00 10.00 C ATOM 302 CG2 VAL A 20 -2.587 4.146 -10.263 1.00 10.00 C ATOM 0 H VAL A 20 -0.730 4.733 -13.002 1.00 10.00 H new ATOM 0 HA VAL A 20 0.065 6.316 -10.713 1.00 10.00 H new ATOM 0 HB VAL A 20 -1.675 5.804 -9.267 1.00 10.00 H new ATOM 0 HG11 VAL A 20 -3.800 6.525 -10.298 1.00 10.00 H new ATOM 0 HG12 VAL A 20 -2.414 7.535 -10.772 1.00 10.00 H new ATOM 0 HG13 VAL A 20 -3.061 6.325 -11.905 1.00 10.00 H new ATOM 0 HG21 VAL A 20 -3.542 4.225 -9.744 1.00 10.00 H new ATOM 0 HG22 VAL A 20 -2.756 3.805 -11.284 1.00 10.00 H new ATOM 0 HG23 VAL A 20 -1.950 3.431 -9.743 1.00 10.00 H new ATOM 312 N SER A 21 0.849 4.203 -9.463 1.00 10.00 N ATOM 313 CA SER A 21 1.549 3.056 -8.876 1.00 10.00 C ATOM 314 C SER A 21 0.767 2.583 -7.649 1.00 10.00 C ATOM 315 O SER A 21 -0.126 3.302 -7.183 1.00 10.00 O ATOM 316 CB SER A 21 2.970 3.474 -8.484 1.00 10.00 C ATOM 317 OG SER A 21 2.953 4.700 -7.760 1.00 10.00 O ATOM 0 H SER A 21 0.920 5.052 -8.903 1.00 10.00 H new ATOM 0 HA SER A 21 1.616 2.240 -9.595 1.00 10.00 H new ATOM 0 HB2 SER A 21 3.429 2.694 -7.877 1.00 10.00 H new ATOM 0 HB3 SER A 21 3.582 3.583 -9.379 1.00 10.00 H new ATOM 0 HG SER A 21 2.492 4.569 -6.905 1.00 10.00 H new ATOM 323 N PHE A 22 1.088 1.416 -7.094 1.00 10.00 N ATOM 324 CA PHE A 22 0.315 0.938 -5.956 1.00 10.00 C ATOM 325 C PHE A 22 1.081 0.701 -4.637 1.00 10.00 C ATOM 326 O PHE A 22 1.715 -0.334 -4.461 1.00 10.00 O ATOM 327 CB PHE A 22 -0.477 -0.316 -6.344 1.00 10.00 C ATOM 328 CG PHE A 22 -1.945 -0.049 -6.569 1.00 10.00 C ATOM 329 CD1 PHE A 22 -2.734 0.469 -5.554 1.00 10.00 C ATOM 330 CD2 PHE A 22 -2.531 -0.307 -7.798 1.00 10.00 C ATOM 331 CE1 PHE A 22 -4.079 0.723 -5.760 1.00 10.00 C ATOM 332 CE2 PHE A 22 -3.875 -0.055 -8.015 1.00 10.00 C ATOM 333 CZ PHE A 22 -4.650 0.463 -6.993 1.00 10.00 C ATOM 0 H PHE A 22 1.847 0.807 -7.400 1.00 10.00 H new ATOM 0 HA PHE A 22 -0.347 1.772 -5.723 1.00 10.00 H new ATOM 0 HB2 PHE A 22 -0.049 -0.741 -7.252 1.00 10.00 H new ATOM 0 HB3 PHE A 22 -0.367 -1.064 -5.559 1.00 10.00 H new ATOM 0 HD1 PHE A 22 -2.294 0.677 -4.590 1.00 10.00 H new ATOM 0 HD2 PHE A 22 -1.930 -0.711 -8.599 1.00 10.00 H new ATOM 0 HE1 PHE A 22 -4.682 1.124 -4.959 1.00 10.00 H new ATOM 0 HE2 PHE A 22 -4.317 -0.262 -8.979 1.00 10.00 H new ATOM 0 HZ PHE A 22 -5.698 0.664 -7.157 1.00 10.00 H new ATOM 343 N HIS A 23 0.980 1.620 -3.699 1.00 10.00 N ATOM 344 CA HIS A 23 1.829 1.590 -2.487 1.00 10.00 C ATOM 345 C HIS A 23 1.131 1.194 -1.222 1.00 10.00 C ATOM 346 O HIS A 23 -0.061 1.264 -1.120 1.00 10.00 O ATOM 347 CB HIS A 23 2.360 2.987 -2.214 1.00 10.00 C ATOM 348 CG HIS A 23 2.034 3.953 -3.280 1.00 10.00 C ATOM 349 ND1 HIS A 23 0.779 4.462 -3.388 1.00 10.00 N ATOM 350 CD2 HIS A 23 2.727 4.402 -4.348 1.00 10.00 C ATOM 351 CE1 HIS A 23 0.685 5.169 -4.470 1.00 10.00 C ATOM 352 NE2 HIS A 23 1.856 5.164 -5.089 1.00 10.00 N ATOM 0 H HIS A 23 0.326 2.402 -3.736 1.00 10.00 H new ATOM 0 HA HIS A 23 2.591 0.844 -2.714 1.00 10.00 H new ATOM 0 HB2 HIS A 23 1.950 3.346 -1.270 1.00 10.00 H new ATOM 0 HB3 HIS A 23 3.442 2.940 -2.094 1.00 10.00 H new ATOM 0 HD1 HIS A 23 0.025 4.311 -2.718 1.00 10.00 H new ATOM 0 HD2 HIS A 23 3.764 4.201 -4.576 1.00 10.00 H new ATOM 0 HE1 HIS A 23 -0.204 5.679 -4.811 1.00 10.00 H new ATOM 361 N LYS A 24 1.917 0.830 -0.236 1.00 10.00 N ATOM 362 CA LYS A 24 1.343 0.463 1.039 1.00 10.00 C ATOM 363 C LYS A 24 1.325 1.630 2.035 1.00 10.00 C ATOM 364 O LYS A 24 1.985 2.641 1.787 1.00 10.00 O ATOM 365 CB LYS A 24 2.093 -0.727 1.638 1.00 10.00 C ATOM 366 CG LYS A 24 1.480 -2.073 1.281 1.00 10.00 C ATOM 367 CD LYS A 24 2.493 -3.204 1.411 1.00 10.00 C ATOM 368 CE LYS A 24 3.158 -3.226 2.783 1.00 10.00 C ATOM 369 NZ LYS A 24 4.392 -4.059 2.783 1.00 10.00 N ATOM 0 H LYS A 24 2.934 0.780 -0.287 1.00 10.00 H new ATOM 0 HA LYS A 24 0.306 0.184 0.851 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.127 -0.705 1.294 1.00 10.00 H new ATOM 0 HB3 LYS A 24 2.116 -0.623 2.723 1.00 10.00 H new ATOM 0 HG2 LYS A 24 0.629 -2.270 1.933 1.00 10.00 H new ATOM 0 HG3 LYS A 24 1.099 -2.041 0.260 1.00 10.00 H new ATOM 0 HD2 LYS A 24 1.995 -4.158 1.235 1.00 10.00 H new ATOM 0 HD3 LYS A 24 3.257 -3.096 0.641 1.00 10.00 H new ATOM 0 HE2 LYS A 24 3.406 -2.208 3.084 1.00 10.00 H new ATOM 0 HE3 LYS A 24 2.457 -3.615 3.521 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 4.817 -4.050 3.732 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 4.151 -5.036 2.520 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 5.071 -3.673 2.096 1.00 10.00 H new ATOM 383 N PHE A 25 0.571 1.533 3.116 1.00 10.00 N ATOM 384 CA PHE A 25 0.522 2.624 4.097 1.00 10.00 C ATOM 385 C PHE A 25 1.909 2.901 4.683 1.00 10.00 C ATOM 386 O PHE A 25 2.780 2.024 4.678 1.00 10.00 O ATOM 387 CB PHE A 25 -0.398 2.260 5.251 1.00 10.00 C ATOM 388 CG PHE A 25 -1.755 2.928 5.246 1.00 10.00 C ATOM 389 CD1 PHE A 25 -2.670 2.675 4.246 1.00 10.00 C ATOM 390 CD2 PHE A 25 -2.122 3.779 6.276 1.00 10.00 C ATOM 391 CE1 PHE A 25 -3.926 3.266 4.266 1.00 10.00 C ATOM 392 CE2 PHE A 25 -3.369 4.365 6.307 1.00 10.00 C ATOM 393 CZ PHE A 25 -4.273 4.110 5.299 1.00 10.00 C ATOM 0 H PHE A 25 -0.011 0.726 3.343 1.00 10.00 H new ATOM 0 HA PHE A 25 0.154 3.507 3.575 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -0.545 1.180 5.247 1.00 10.00 H new ATOM 0 HB3 PHE A 25 0.105 2.509 6.185 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -2.406 2.009 3.438 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -1.418 3.987 7.069 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -4.631 3.065 3.473 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -3.637 5.023 7.120 1.00 10.00 H new ATOM 0 HZ PHE A 25 -5.250 4.570 5.318 1.00 10.00 H new ATOM 403 N PRO A 26 2.130 4.114 5.216 1.00 10.00 N ATOM 404 CA PRO A 26 3.403 4.482 5.849 1.00 10.00 C ATOM 405 C PRO A 26 3.485 3.842 7.219 1.00 10.00 C ATOM 406 O PRO A 26 3.436 4.499 8.255 1.00 10.00 O ATOM 407 CB PRO A 26 3.258 5.988 6.029 1.00 10.00 C ATOM 408 CG PRO A 26 1.796 6.177 6.225 1.00 10.00 C ATOM 409 CD PRO A 26 1.157 5.225 5.267 1.00 10.00 C ATOM 0 HA PRO A 26 4.280 4.178 5.277 1.00 10.00 H new ATOM 0 HB2 PRO A 26 3.827 6.346 6.887 1.00 10.00 H new ATOM 0 HB3 PRO A 26 3.619 6.533 5.157 1.00 10.00 H new ATOM 0 HG2 PRO A 26 1.503 5.961 7.252 1.00 10.00 H new ATOM 0 HG3 PRO A 26 1.499 7.205 6.019 1.00 10.00 H new ATOM 0 HD2 PRO A 26 0.180 4.892 5.618 1.00 10.00 H new ATOM 0 HD3 PRO A 26 1.007 5.677 4.287 1.00 10.00 H new ATOM 417 N LEU A 27 3.607 2.522 7.175 1.00 10.00 N ATOM 418 CA LEU A 27 3.654 1.662 8.340 1.00 10.00 C ATOM 419 C LEU A 27 4.651 2.068 9.395 1.00 10.00 C ATOM 420 O LEU A 27 4.480 1.929 10.606 1.00 10.00 O ATOM 421 CB LEU A 27 3.883 0.216 7.906 1.00 10.00 C ATOM 422 CG LEU A 27 2.597 -0.526 7.544 1.00 10.00 C ATOM 423 CD1 LEU A 27 2.886 -1.995 7.277 1.00 10.00 C ATOM 424 CD2 LEU A 27 1.579 -0.367 8.663 1.00 10.00 C ATOM 0 H LEU A 27 3.678 2.008 6.297 1.00 10.00 H new ATOM 0 HA LEU A 27 2.683 1.767 8.824 1.00 10.00 H new ATOM 0 HB2 LEU A 27 4.553 0.205 7.046 1.00 10.00 H new ATOM 0 HB3 LEU A 27 4.388 -0.320 8.710 1.00 10.00 H new ATOM 0 HG LEU A 27 2.183 -0.096 6.632 1.00 10.00 H new ATOM 0 HD11 LEU A 27 1.959 -2.508 7.021 1.00 10.00 H new ATOM 0 HD12 LEU A 27 3.590 -2.083 6.449 1.00 10.00 H new ATOM 0 HD13 LEU A 27 3.317 -2.449 8.169 1.00 10.00 H new ATOM 0 HD21 LEU A 27 0.664 -0.898 8.400 1.00 10.00 H new ATOM 0 HD22 LEU A 27 1.986 -0.780 9.586 1.00 10.00 H new ATOM 0 HD23 LEU A 27 1.357 0.691 8.805 1.00 10.00 H new ATOM 436 N THR A 28 5.720 2.578 8.812 1.00 10.00 N ATOM 437 CA THR A 28 6.919 3.003 9.491 1.00 10.00 C ATOM 438 C THR A 28 6.881 4.471 9.921 1.00 10.00 C ATOM 439 O THR A 28 7.809 4.979 10.554 1.00 10.00 O ATOM 440 CB THR A 28 8.097 2.791 8.522 1.00 10.00 C ATOM 441 OG1 THR A 28 8.016 3.739 7.447 1.00 10.00 O ATOM 442 CG2 THR A 28 8.049 1.389 7.931 1.00 10.00 C ATOM 0 H THR A 28 5.773 2.711 7.802 1.00 10.00 H new ATOM 0 HA THR A 28 7.021 2.416 10.404 1.00 10.00 H new ATOM 0 HB THR A 28 9.026 2.925 9.075 1.00 10.00 H new ATOM 0 HG1 THR A 28 8.768 3.603 6.833 1.00 10.00 H new ATOM 0 HG21 THR A 28 8.888 1.253 7.248 1.00 10.00 H new ATOM 0 HG22 THR A 28 8.112 0.654 8.733 1.00 10.00 H new ATOM 0 HG23 THR A 28 7.113 1.255 7.388 1.00 10.00 H new ATOM 450 N ARG A 29 5.777 5.127 9.575 1.00 10.00 N ATOM 451 CA ARG A 29 5.507 6.493 9.967 1.00 10.00 C ATOM 452 C ARG A 29 4.106 6.496 10.545 1.00 10.00 C ATOM 453 O ARG A 29 3.242 7.219 10.070 1.00 10.00 O ATOM 454 CB ARG A 29 5.582 7.413 8.737 1.00 10.00 C ATOM 455 CG ARG A 29 6.573 8.553 8.858 1.00 10.00 C ATOM 456 CD ARG A 29 6.102 9.601 9.845 1.00 10.00 C ATOM 457 NE ARG A 29 6.982 9.681 11.006 1.00 10.00 N ATOM 458 CZ ARG A 29 8.202 10.231 11.003 1.00 10.00 C ATOM 459 NH1 ARG A 29 8.676 10.820 9.909 1.00 10.00 N ATOM 460 NH2 ARG A 29 8.950 10.189 12.098 1.00 10.00 N ATOM 0 H ARG A 29 5.039 4.712 9.006 1.00 10.00 H new ATOM 0 HA ARG A 29 6.234 6.856 10.694 1.00 10.00 H new ATOM 0 HB2 ARG A 29 5.845 6.812 7.866 1.00 10.00 H new ATOM 0 HB3 ARG A 29 4.592 7.829 8.550 1.00 10.00 H new ATOM 0 HG2 ARG A 29 7.540 8.163 9.175 1.00 10.00 H new ATOM 0 HG3 ARG A 29 6.720 9.013 7.881 1.00 10.00 H new ATOM 0 HD2 ARG A 29 6.060 10.572 9.352 1.00 10.00 H new ATOM 0 HD3 ARG A 29 5.089 9.365 10.171 1.00 10.00 H new ATOM 0 HE ARG A 29 6.642 9.289 11.884 1.00 10.00 H new ATOM 0 HH11 ARG A 29 8.108 10.855 9.062 1.00 10.00 H new ATOM 0 HH12 ARG A 29 9.607 11.236 9.917 1.00 10.00 H new ATOM 0 HH21 ARG A 29 8.595 9.738 12.941 1.00 10.00 H new ATOM 0 HH22 ARG A 29 9.880 10.608 12.097 1.00 10.00 H new ATOM 474 N PRO A 30 3.886 5.688 11.602 1.00 10.00 N ATOM 475 CA PRO A 30 2.575 5.489 12.212 1.00 10.00 C ATOM 476 C PRO A 30 1.787 6.760 12.508 1.00 10.00 C ATOM 477 O PRO A 30 0.641 6.865 12.108 1.00 10.00 O ATOM 478 CB PRO A 30 2.867 4.764 13.516 1.00 10.00 C ATOM 479 CG PRO A 30 4.348 4.803 13.688 1.00 10.00 C ATOM 480 CD PRO A 30 4.915 4.920 12.319 1.00 10.00 C ATOM 0 HA PRO A 30 1.942 4.944 11.512 1.00 10.00 H new ATOM 0 HB2 PRO A 30 2.365 5.249 14.353 1.00 10.00 H new ATOM 0 HB3 PRO A 30 2.506 3.736 13.480 1.00 10.00 H new ATOM 0 HG2 PRO A 30 4.647 5.648 14.308 1.00 10.00 H new ATOM 0 HG3 PRO A 30 4.707 3.901 14.184 1.00 10.00 H new ATOM 0 HD2 PRO A 30 5.875 5.436 12.322 1.00 10.00 H new ATOM 0 HD3 PRO A 30 5.080 3.943 11.865 1.00 10.00 H new ATOM 488 N SER A 31 2.382 7.705 13.226 1.00 10.00 N ATOM 489 CA SER A 31 1.689 8.950 13.558 1.00 10.00 C ATOM 490 C SER A 31 1.122 9.575 12.291 1.00 10.00 C ATOM 491 O SER A 31 -0.065 9.899 12.212 1.00 10.00 O ATOM 492 CB SER A 31 2.661 9.907 14.250 1.00 10.00 C ATOM 493 OG SER A 31 3.656 9.190 14.965 1.00 10.00 O ATOM 0 H SER A 31 3.333 7.637 13.588 1.00 10.00 H new ATOM 0 HA SER A 31 0.863 8.742 14.238 1.00 10.00 H new ATOM 0 HB2 SER A 31 3.134 10.551 13.508 1.00 10.00 H new ATOM 0 HB3 SER A 31 2.114 10.556 14.933 1.00 10.00 H new ATOM 0 HG SER A 31 4.267 9.822 15.398 1.00 10.00 H new ATOM 499 N LEU A 32 1.952 9.630 11.266 1.00 10.00 N ATOM 500 CA LEU A 32 1.564 10.196 9.990 1.00 10.00 C ATOM 501 C LEU A 32 0.574 9.238 9.321 1.00 10.00 C ATOM 502 O LEU A 32 -0.380 9.658 8.673 1.00 10.00 O ATOM 503 CB LEU A 32 2.840 10.463 9.161 1.00 10.00 C ATOM 504 CG LEU A 32 2.684 11.027 7.751 1.00 10.00 C ATOM 505 CD1 LEU A 32 2.610 9.900 6.748 1.00 10.00 C ATOM 506 CD2 LEU A 32 1.478 11.933 7.654 1.00 10.00 C ATOM 0 H LEU A 32 2.911 9.284 11.295 1.00 10.00 H new ATOM 0 HA LEU A 32 1.056 11.154 10.095 1.00 10.00 H new ATOM 0 HB2 LEU A 32 3.466 11.153 9.727 1.00 10.00 H new ATOM 0 HB3 LEU A 32 3.389 9.524 9.084 1.00 10.00 H new ATOM 0 HG LEU A 32 3.560 11.634 7.521 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.499 10.312 5.745 1.00 10.00 H new ATOM 0 HD12 LEU A 32 3.524 9.308 6.798 1.00 10.00 H new ATOM 0 HD13 LEU A 32 1.754 9.265 6.976 1.00 10.00 H new ATOM 0 HD21 LEU A 32 1.394 12.319 6.638 1.00 10.00 H new ATOM 0 HD22 LEU A 32 0.579 11.370 7.904 1.00 10.00 H new ATOM 0 HD23 LEU A 32 1.591 12.764 8.350 1.00 10.00 H new ATOM 518 N CYS A 33 0.755 7.945 9.582 1.00 10.00 N ATOM 519 CA CYS A 33 -0.109 6.915 9.031 1.00 10.00 C ATOM 520 C CYS A 33 -1.494 7.152 9.581 1.00 10.00 C ATOM 521 O CYS A 33 -2.489 7.020 8.873 1.00 10.00 O ATOM 522 CB CYS A 33 0.389 5.553 9.529 1.00 10.00 C ATOM 523 SG CYS A 33 -0.429 4.110 8.821 1.00 10.00 S ATOM 0 H CYS A 33 1.501 7.588 10.178 1.00 10.00 H new ATOM 0 HA CYS A 33 -0.111 6.938 7.941 1.00 10.00 H new ATOM 0 HB2 CYS A 33 1.457 5.480 9.322 1.00 10.00 H new ATOM 0 HB3 CYS A 33 0.272 5.518 10.612 1.00 10.00 H new ATOM 0 HG CYS A 33 -0.929 4.420 7.662 1.00 10.00 H new ATOM 529 N LYS A 34 -1.549 7.556 10.828 1.00 10.00 N ATOM 530 CA LYS A 34 -2.780 7.747 11.527 1.00 10.00 C ATOM 531 C LYS A 34 -3.612 8.896 10.986 1.00 10.00 C ATOM 532 O LYS A 34 -4.837 8.866 11.103 1.00 10.00 O ATOM 533 CB LYS A 34 -2.409 7.922 12.994 1.00 10.00 C ATOM 534 CG LYS A 34 -3.331 8.801 13.811 1.00 10.00 C ATOM 535 CD LYS A 34 -2.519 9.785 14.637 1.00 10.00 C ATOM 536 CE LYS A 34 -3.254 10.201 15.902 1.00 10.00 C ATOM 537 NZ LYS A 34 -3.051 9.230 17.008 1.00 10.00 N ATOM 0 H LYS A 34 -0.721 7.762 11.387 1.00 10.00 H new ATOM 0 HA LYS A 34 -3.432 6.884 11.390 1.00 10.00 H new ATOM 0 HB2 LYS A 34 -2.372 6.937 13.459 1.00 10.00 H new ATOM 0 HB3 LYS A 34 -1.403 8.337 13.047 1.00 10.00 H new ATOM 0 HG2 LYS A 34 -4.010 9.341 13.151 1.00 10.00 H new ATOM 0 HG3 LYS A 34 -3.947 8.185 14.467 1.00 10.00 H new ATOM 0 HD2 LYS A 34 -1.563 9.334 14.904 1.00 10.00 H new ATOM 0 HD3 LYS A 34 -2.299 10.668 14.037 1.00 10.00 H new ATOM 0 HE2 LYS A 34 -2.907 11.186 16.216 1.00 10.00 H new ATOM 0 HE3 LYS A 34 -4.319 10.291 15.689 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 -3.569 9.551 17.851 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 -3.405 8.296 16.719 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 -2.037 9.163 17.229 1.00 10.00 H new ATOM 551 N GLU A 35 -3.008 9.892 10.353 1.00 10.00 N ATOM 552 CA GLU A 35 -3.862 10.959 9.849 1.00 10.00 C ATOM 553 C GLU A 35 -4.575 10.482 8.629 1.00 10.00 C ATOM 554 O GLU A 35 -5.646 10.984 8.300 1.00 10.00 O ATOM 555 CB GLU A 35 -3.165 12.258 9.527 1.00 10.00 C ATOM 556 CG GLU A 35 -1.677 12.141 9.310 1.00 10.00 C ATOM 557 CD GLU A 35 -0.939 13.412 9.677 1.00 10.00 C ATOM 558 OE1 GLU A 35 -0.784 14.289 8.812 1.00 10.00 O ATOM 559 OE2 GLU A 35 -0.524 13.549 10.845 1.00 10.00 O ATOM 0 H GLU A 35 -2.006 9.986 10.184 1.00 10.00 H new ATOM 0 HA GLU A 35 -4.543 11.188 10.668 1.00 10.00 H new ATOM 0 HB2 GLU A 35 -3.616 12.684 8.631 1.00 10.00 H new ATOM 0 HB3 GLU A 35 -3.345 12.962 10.340 1.00 10.00 H new ATOM 0 HG2 GLU A 35 -1.290 11.314 9.905 1.00 10.00 H new ATOM 0 HG3 GLU A 35 -1.483 11.900 8.265 1.00 10.00 H new ATOM 566 N TRP A 36 -3.998 9.481 7.964 1.00 10.00 N ATOM 567 CA TRP A 36 -4.633 8.932 6.793 1.00 10.00 C ATOM 568 C TRP A 36 -6.004 8.469 7.244 1.00 10.00 C ATOM 569 O TRP A 36 -6.965 8.578 6.486 1.00 10.00 O ATOM 570 CB TRP A 36 -3.826 7.769 6.188 1.00 10.00 C ATOM 571 CG TRP A 36 -2.496 8.183 5.624 1.00 10.00 C ATOM 572 CD1 TRP A 36 -1.679 9.165 6.106 1.00 10.00 C ATOM 573 CD2 TRP A 36 -1.825 7.633 4.474 1.00 10.00 C ATOM 574 NE1 TRP A 36 -0.555 9.275 5.329 1.00 10.00 N ATOM 575 CE2 TRP A 36 -0.613 8.341 4.328 1.00 10.00 C ATOM 576 CE3 TRP A 36 -2.124 6.614 3.547 1.00 10.00 C ATOM 577 CZ2 TRP A 36 0.291 8.072 3.305 1.00 10.00 C ATOM 578 CZ3 TRP A 36 -1.221 6.353 2.530 1.00 10.00 C ATOM 579 CH2 TRP A 36 -0.028 7.077 2.417 1.00 10.00 C ATOM 0 H TRP A 36 -3.110 9.049 8.219 1.00 10.00 H new ATOM 0 HA TRP A 36 -4.700 9.680 6.003 1.00 10.00 H new ATOM 0 HB2 TRP A 36 -3.665 7.013 6.956 1.00 10.00 H new ATOM 0 HB3 TRP A 36 -4.415 7.302 5.399 1.00 10.00 H new ATOM 0 HD1 TRP A 36 -1.889 9.769 6.976 1.00 10.00 H new ATOM 0 HE1 TRP A 36 0.202 9.944 5.473 1.00 10.00 H new ATOM 0 HE3 TRP A 36 -3.040 6.048 3.628 1.00 10.00 H new ATOM 0 HZ2 TRP A 36 1.212 8.628 3.213 1.00 10.00 H new ATOM 0 HZ3 TRP A 36 -1.441 5.577 1.811 1.00 10.00 H new ATOM 0 HH2 TRP A 36 0.656 6.847 1.613 1.00 10.00 H new ATOM 590 N GLU A 37 -6.114 8.060 8.518 1.00 10.00 N ATOM 591 CA GLU A 37 -7.377 7.583 9.030 1.00 10.00 C ATOM 592 C GLU A 37 -8.457 8.627 8.804 1.00 10.00 C ATOM 593 O GLU A 37 -9.538 8.379 8.274 1.00 10.00 O ATOM 594 CB GLU A 37 -7.302 7.177 10.506 1.00 10.00 C ATOM 595 CG GLU A 37 -6.274 6.095 10.793 1.00 10.00 C ATOM 596 CD GLU A 37 -6.651 4.729 10.255 1.00 10.00 C ATOM 597 OE1 GLU A 37 -7.717 4.207 10.647 1.00 10.00 O ATOM 598 OE2 GLU A 37 -5.861 4.152 9.476 1.00 10.00 O ATOM 0 H GLU A 37 -5.348 8.055 9.191 1.00 10.00 H new ATOM 0 HA GLU A 37 -7.632 6.679 8.478 1.00 10.00 H new ATOM 0 HB2 GLU A 37 -7.066 8.057 11.104 1.00 10.00 H new ATOM 0 HB3 GLU A 37 -8.283 6.827 10.827 1.00 10.00 H new ATOM 0 HG2 GLU A 37 -5.318 6.393 10.362 1.00 10.00 H new ATOM 0 HG3 GLU A 37 -6.129 6.022 11.871 1.00 10.00 H new ATOM 605 N ALA A 38 -8.037 9.845 9.217 1.00 10.00 N ATOM 606 CA ALA A 38 -8.819 11.074 9.161 1.00 10.00 C ATOM 607 C ALA A 38 -9.344 11.365 7.768 1.00 10.00 C ATOM 608 O ALA A 38 -10.461 11.866 7.613 1.00 10.00 O ATOM 609 CB ALA A 38 -7.967 12.241 9.652 1.00 10.00 C ATOM 0 H ALA A 38 -7.107 9.990 9.611 1.00 10.00 H new ATOM 0 HA ALA A 38 -9.686 10.942 9.808 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -8.551 13.161 9.610 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -7.654 12.056 10.680 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.087 12.341 9.017 1.00 10.00 H new ATOM 615 N ALA A 39 -8.565 11.041 6.757 1.00 10.00 N ATOM 616 CA ALA A 39 -8.974 11.308 5.399 1.00 10.00 C ATOM 617 C ALA A 39 -9.797 10.152 4.839 1.00 10.00 C ATOM 618 O ALA A 39 -10.495 10.306 3.839 1.00 10.00 O ATOM 619 CB ALA A 39 -7.753 11.587 4.538 1.00 10.00 C ATOM 0 H ALA A 39 -7.652 10.596 6.851 1.00 10.00 H new ATOM 0 HA ALA A 39 -9.611 12.192 5.390 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -8.068 11.788 3.514 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.221 12.454 4.931 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -7.093 10.720 4.551 1.00 10.00 H new ATOM 625 N VAL A 40 -9.740 9.010 5.518 1.00 10.00 N ATOM 626 CA VAL A 40 -10.578 7.861 5.174 1.00 10.00 C ATOM 627 C VAL A 40 -11.859 7.960 6.021 1.00 10.00 C ATOM 628 O VAL A 40 -12.409 6.969 6.498 1.00 10.00 O ATOM 629 CB VAL A 40 -9.866 6.519 5.432 1.00 10.00 C ATOM 630 CG1 VAL A 40 -10.654 5.360 4.831 1.00 10.00 C ATOM 631 CG2 VAL A 40 -8.451 6.546 4.874 1.00 10.00 C ATOM 0 H VAL A 40 -9.120 8.853 6.313 1.00 10.00 H new ATOM 0 HA VAL A 40 -10.804 7.885 4.108 1.00 10.00 H new ATOM 0 HB VAL A 40 -9.809 6.370 6.510 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -10.131 4.424 5.027 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -11.646 5.322 5.281 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -10.749 5.504 3.755 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -7.966 5.589 5.067 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -8.487 6.725 3.799 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -7.885 7.343 5.356 1.00 10.00 H new ATOM 641 N ARG A 41 -12.278 9.206 6.220 1.00 10.00 N ATOM 642 CA ARG A 41 -13.449 9.601 7.024 1.00 10.00 C ATOM 643 C ARG A 41 -14.779 8.949 6.627 1.00 10.00 C ATOM 644 O ARG A 41 -15.835 9.410 7.052 1.00 10.00 O ATOM 645 CB ARG A 41 -13.604 11.127 6.980 1.00 10.00 C ATOM 646 CG ARG A 41 -14.220 11.676 5.693 1.00 10.00 C ATOM 647 CD ARG A 41 -13.315 11.482 4.481 1.00 10.00 C ATOM 648 NE ARG A 41 -13.620 12.437 3.418 1.00 10.00 N ATOM 649 CZ ARG A 41 -12.708 12.993 2.618 1.00 10.00 C ATOM 650 NH1 ARG A 41 -11.425 12.662 2.723 1.00 10.00 N ATOM 651 NH2 ARG A 41 -13.088 13.863 1.695 1.00 10.00 N ATOM 0 H ARG A 41 -11.797 10.007 5.812 1.00 10.00 H new ATOM 0 HA ARG A 41 -13.239 9.237 8.030 1.00 10.00 H new ATOM 0 HB2 ARG A 41 -14.221 11.439 7.823 1.00 10.00 H new ATOM 0 HB3 ARG A 41 -12.623 11.581 7.118 1.00 10.00 H new ATOM 0 HG2 ARG A 41 -15.175 11.182 5.512 1.00 10.00 H new ATOM 0 HG3 ARG A 41 -14.430 12.738 5.819 1.00 10.00 H new ATOM 0 HD2 ARG A 41 -12.274 11.595 4.783 1.00 10.00 H new ATOM 0 HD3 ARG A 41 -13.429 10.467 4.101 1.00 10.00 H new ATOM 0 HE ARG A 41 -14.596 12.696 3.278 1.00 10.00 H new ATOM 0 HH11 ARG A 41 -11.130 11.978 3.420 1.00 10.00 H new ATOM 0 HH12 ARG A 41 -10.735 13.092 2.107 1.00 10.00 H new ATOM 0 HH21 ARG A 41 -14.074 14.105 1.598 1.00 10.00 H new ATOM 0 HH22 ARG A 41 -12.395 14.291 1.081 1.00 10.00 H new ATOM 665 N ARG A 42 -14.758 7.905 5.829 1.00 10.00 N ATOM 666 CA ARG A 42 -15.994 7.261 5.427 1.00 10.00 C ATOM 667 C ARG A 42 -16.293 6.047 6.295 1.00 10.00 C ATOM 668 O ARG A 42 -15.373 5.384 6.775 1.00 10.00 O ATOM 669 CB ARG A 42 -15.931 6.874 3.955 1.00 10.00 C ATOM 670 CG ARG A 42 -16.987 7.569 3.116 1.00 10.00 C ATOM 671 CD ARG A 42 -17.047 9.068 3.409 1.00 10.00 C ATOM 672 NE ARG A 42 -18.422 9.542 3.558 1.00 10.00 N ATOM 673 CZ ARG A 42 -18.909 10.107 4.663 1.00 10.00 C ATOM 674 NH1 ARG A 42 -18.151 10.264 5.741 1.00 10.00 N ATOM 675 NH2 ARG A 42 -20.171 10.507 4.690 1.00 10.00 N ATOM 0 H ARG A 42 -13.910 7.485 5.448 1.00 10.00 H new ATOM 0 HA ARG A 42 -16.809 7.971 5.566 1.00 10.00 H new ATOM 0 HB2 ARG A 42 -14.944 7.118 3.562 1.00 10.00 H new ATOM 0 HB3 ARG A 42 -16.053 5.795 3.863 1.00 10.00 H new ATOM 0 HG2 ARG A 42 -16.772 7.413 2.059 1.00 10.00 H new ATOM 0 HG3 ARG A 42 -17.961 7.121 3.313 1.00 10.00 H new ATOM 0 HD2 ARG A 42 -16.489 9.282 4.321 1.00 10.00 H new ATOM 0 HD3 ARG A 42 -16.560 9.615 2.602 1.00 10.00 H new ATOM 0 HE ARG A 42 -19.051 9.433 2.763 1.00 10.00 H new ATOM 0 HH11 ARG A 42 -17.180 9.950 5.732 1.00 10.00 H new ATOM 0 HH12 ARG A 42 -18.539 10.698 6.578 1.00 10.00 H new ATOM 0 HH21 ARG A 42 -20.763 10.382 3.869 1.00 10.00 H new ATOM 0 HH22 ARG A 42 -20.551 10.940 5.532 1.00 10.00 H new ATOM 689 N LYS A 43 -17.587 5.780 6.503 1.00 10.00 N ATOM 690 CA LYS A 43 -18.026 4.641 7.309 1.00 10.00 C ATOM 691 C LYS A 43 -17.441 3.356 6.753 1.00 10.00 C ATOM 692 O LYS A 43 -16.976 2.490 7.497 1.00 10.00 O ATOM 693 CB LYS A 43 -19.561 4.544 7.324 1.00 10.00 C ATOM 694 CG LYS A 43 -20.087 3.118 7.227 1.00 10.00 C ATOM 695 CD LYS A 43 -21.604 3.074 7.174 1.00 10.00 C ATOM 696 CE LYS A 43 -22.119 1.671 7.454 1.00 10.00 C ATOM 697 NZ LYS A 43 -23.578 1.651 7.723 1.00 10.00 N ATOM 0 H LYS A 43 -18.349 6.341 6.122 1.00 10.00 H new ATOM 0 HA LYS A 43 -17.675 4.789 8.330 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -19.936 4.998 8.241 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -19.961 5.126 6.494 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -19.679 2.641 6.336 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -19.737 2.543 8.085 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -22.017 3.769 7.905 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -21.947 3.402 6.193 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -21.900 1.029 6.601 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -21.588 1.255 8.310 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -23.883 0.674 7.908 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -23.786 2.242 8.553 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -24.088 2.023 6.897 1.00 10.00 H new ATOM 711 N ASN A 44 -17.469 3.253 5.434 1.00 10.00 N ATOM 712 CA ASN A 44 -16.943 2.093 4.744 1.00 10.00 C ATOM 713 C ASN A 44 -15.429 2.196 4.650 1.00 10.00 C ATOM 714 O ASN A 44 -14.867 2.340 3.559 1.00 10.00 O ATOM 715 CB ASN A 44 -17.570 1.947 3.347 1.00 10.00 C ATOM 716 CG ASN A 44 -17.925 3.279 2.705 1.00 10.00 C ATOM 717 OD1 ASN A 44 -17.143 4.227 2.730 1.00 10.00 O ATOM 718 ND2 ASN A 44 -19.116 3.359 2.130 1.00 10.00 N ATOM 0 H ASN A 44 -17.855 3.968 4.817 1.00 10.00 H new ATOM 0 HA ASN A 44 -17.203 1.201 5.314 1.00 10.00 H new ATOM 0 HB2 ASN A 44 -16.876 1.413 2.699 1.00 10.00 H new ATOM 0 HB3 ASN A 44 -18.470 1.336 3.422 1.00 10.00 H new ATOM 0 HD21 ASN A 44 -19.411 4.229 1.688 1.00 10.00 H new ATOM 0 HD22 ASN A 44 -19.737 2.550 2.130 1.00 10.00 H new ATOM 725 N PHE A 45 -14.781 2.180 5.812 1.00 10.00 N ATOM 726 CA PHE A 45 -13.336 2.243 5.880 1.00 10.00 C ATOM 727 C PHE A 45 -12.774 1.009 5.193 1.00 10.00 C ATOM 728 O PHE A 45 -13.074 -0.118 5.583 1.00 10.00 O ATOM 729 CB PHE A 45 -12.847 2.337 7.346 1.00 10.00 C ATOM 730 CG PHE A 45 -11.361 2.617 7.496 1.00 10.00 C ATOM 731 CD1 PHE A 45 -10.427 1.642 7.190 1.00 10.00 C ATOM 732 CD2 PHE A 45 -10.896 3.852 7.940 1.00 10.00 C ATOM 733 CE1 PHE A 45 -9.076 1.878 7.308 1.00 10.00 C ATOM 734 CE2 PHE A 45 -9.542 4.094 8.062 1.00 10.00 C ATOM 735 CZ PHE A 45 -8.630 3.107 7.741 1.00 10.00 C ATOM 0 H PHE A 45 -15.243 2.124 6.720 1.00 10.00 H new ATOM 0 HA PHE A 45 -12.983 3.141 5.374 1.00 10.00 H new ATOM 0 HB2 PHE A 45 -13.405 3.124 7.853 1.00 10.00 H new ATOM 0 HB3 PHE A 45 -13.081 1.402 7.855 1.00 10.00 H new ATOM 0 HD1 PHE A 45 -10.766 0.674 6.851 1.00 10.00 H new ATOM 0 HD2 PHE A 45 -11.602 4.629 8.192 1.00 10.00 H new ATOM 0 HE1 PHE A 45 -8.367 1.101 7.062 1.00 10.00 H new ATOM 0 HE2 PHE A 45 -9.195 5.056 8.409 1.00 10.00 H new ATOM 0 HZ PHE A 45 -7.571 3.299 7.829 1.00 10.00 H new ATOM 745 N LYS A 46 -12.026 1.257 4.129 1.00 10.00 N ATOM 746 CA LYS A 46 -11.373 0.219 3.330 1.00 10.00 C ATOM 747 C LYS A 46 -10.410 -0.606 4.187 1.00 10.00 C ATOM 748 O LYS A 46 -10.417 -0.468 5.397 1.00 10.00 O ATOM 749 CB LYS A 46 -10.653 0.910 2.178 1.00 10.00 C ATOM 750 CG LYS A 46 -11.257 0.589 0.823 1.00 10.00 C ATOM 751 CD LYS A 46 -11.839 1.831 0.167 1.00 10.00 C ATOM 752 CE LYS A 46 -13.329 1.681 -0.102 1.00 10.00 C ATOM 753 NZ LYS A 46 -14.074 1.278 1.113 1.00 10.00 N ATOM 0 H LYS A 46 -11.849 2.201 3.786 1.00 10.00 H new ATOM 0 HA LYS A 46 -12.110 -0.482 2.937 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -10.679 1.988 2.335 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -9.604 0.613 2.182 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -10.494 0.158 0.176 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -12.038 -0.163 0.940 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -11.671 2.695 0.810 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -11.318 2.025 -0.770 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -13.727 2.625 -0.475 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -13.483 0.938 -0.885 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -15.086 1.478 0.982 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -13.941 0.260 1.280 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -13.718 1.812 1.931 1.00 10.00 H new ATOM 767 N PRO A 47 -9.611 -1.525 3.600 1.00 10.00 N ATOM 768 CA PRO A 47 -8.651 -2.321 4.377 1.00 10.00 C ATOM 769 C PRO A 47 -7.834 -1.455 5.345 1.00 10.00 C ATOM 770 O PRO A 47 -7.862 -0.225 5.307 1.00 10.00 O ATOM 771 CB PRO A 47 -7.825 -3.013 3.313 1.00 10.00 C ATOM 772 CG PRO A 47 -8.756 -3.136 2.154 1.00 10.00 C ATOM 773 CD PRO A 47 -9.565 -1.870 2.169 1.00 10.00 C ATOM 0 HA PRO A 47 -9.123 -3.042 5.044 1.00 10.00 H new ATOM 0 HB2 PRO A 47 -6.940 -2.431 3.054 1.00 10.00 H new ATOM 0 HB3 PRO A 47 -7.477 -3.989 3.650 1.00 10.00 H new ATOM 0 HG2 PRO A 47 -8.208 -3.243 1.218 1.00 10.00 H new ATOM 0 HG3 PRO A 47 -9.395 -4.014 2.252 1.00 10.00 H new ATOM 0 HD2 PRO A 47 -9.095 -1.083 1.579 1.00 10.00 H new ATOM 0 HD3 PRO A 47 -10.563 -2.024 1.758 1.00 10.00 H new ATOM 781 N THR A 48 -6.993 -2.100 6.125 1.00 10.00 N ATOM 782 CA THR A 48 -6.069 -1.366 6.955 1.00 10.00 C ATOM 783 C THR A 48 -4.810 -1.368 6.136 1.00 10.00 C ATOM 784 O THR A 48 -4.630 -2.179 5.240 1.00 10.00 O ATOM 785 CB THR A 48 -5.772 -2.038 8.260 1.00 10.00 C ATOM 786 OG1 THR A 48 -4.942 -3.192 8.026 1.00 10.00 O ATOM 787 CG2 THR A 48 -7.055 -2.455 8.893 1.00 10.00 C ATOM 0 H THR A 48 -6.931 -3.115 6.200 1.00 10.00 H new ATOM 0 HA THR A 48 -6.474 -0.386 7.210 1.00 10.00 H new ATOM 0 HB THR A 48 -5.246 -1.350 8.923 1.00 10.00 H new ATOM 0 HG1 THR A 48 -4.745 -3.632 8.879 1.00 10.00 H new ATOM 0 HG21 THR A 48 -6.849 -2.946 9.844 1.00 10.00 H new ATOM 0 HG22 THR A 48 -7.678 -1.577 9.065 1.00 10.00 H new ATOM 0 HG23 THR A 48 -7.578 -3.148 8.233 1.00 10.00 H new ATOM 795 N LYS A 49 -3.972 -0.405 6.555 1.00 10.00 N ATOM 796 CA LYS A 49 -2.602 -0.126 6.091 1.00 10.00 C ATOM 797 C LYS A 49 -1.788 -1.281 5.525 1.00 10.00 C ATOM 798 O LYS A 49 -0.771 -1.044 4.872 1.00 10.00 O ATOM 799 CB LYS A 49 -1.821 0.493 7.269 1.00 10.00 C ATOM 800 CG LYS A 49 -2.145 -0.068 8.648 1.00 10.00 C ATOM 801 CD LYS A 49 -2.763 0.991 9.560 1.00 10.00 C ATOM 802 CE LYS A 49 -4.276 0.848 9.664 1.00 10.00 C ATOM 803 NZ LYS A 49 -4.895 1.927 10.480 1.00 10.00 N ATOM 0 H LYS A 49 -4.257 0.250 7.284 1.00 10.00 H new ATOM 0 HA LYS A 49 -2.736 0.536 5.236 1.00 10.00 H new ATOM 0 HB2 LYS A 49 -0.755 0.358 7.084 1.00 10.00 H new ATOM 0 HB3 LYS A 49 -2.009 1.567 7.281 1.00 10.00 H new ATOM 0 HG2 LYS A 49 -2.833 -0.907 8.547 1.00 10.00 H new ATOM 0 HG3 LYS A 49 -1.235 -0.456 9.106 1.00 10.00 H new ATOM 0 HD2 LYS A 49 -2.323 0.913 10.554 1.00 10.00 H new ATOM 0 HD3 LYS A 49 -2.519 1.983 9.180 1.00 10.00 H new ATOM 0 HE2 LYS A 49 -4.709 0.860 8.664 1.00 10.00 H new ATOM 0 HE3 LYS A 49 -4.517 -0.120 10.104 1.00 10.00 H new ATOM 0 HZ1 LYS A 49 -5.682 1.534 11.035 1.00 10.00 H new ATOM 0 HZ2 LYS A 49 -4.183 2.328 11.123 1.00 10.00 H new ATOM 0 HZ3 LYS A 49 -5.254 2.675 9.852 1.00 10.00 H new ATOM 817 N TYR A 50 -2.175 -2.502 5.757 1.00 10.00 N ATOM 818 CA TYR A 50 -1.476 -3.587 5.099 1.00 10.00 C ATOM 819 C TYR A 50 -1.981 -3.546 3.664 1.00 10.00 C ATOM 820 O TYR A 50 -1.241 -3.963 2.778 1.00 10.00 O ATOM 821 CB TYR A 50 -1.822 -4.908 5.745 1.00 10.00 C ATOM 822 CG TYR A 50 -1.167 -5.144 7.080 1.00 10.00 C ATOM 823 CD1 TYR A 50 0.176 -5.477 7.166 1.00 10.00 C ATOM 824 CD2 TYR A 50 -1.913 -5.105 8.243 1.00 10.00 C ATOM 825 CE1 TYR A 50 0.755 -5.779 8.374 1.00 10.00 C ATOM 826 CE2 TYR A 50 -1.335 -5.385 9.466 1.00 10.00 C ATOM 827 CZ TYR A 50 -0.001 -5.730 9.523 1.00 10.00 C ATOM 828 OH TYR A 50 0.568 -6.082 10.721 1.00 10.00 O ATOM 0 H TYR A 50 -2.942 -2.774 6.372 1.00 10.00 H new ATOM 0 HA TYR A 50 -0.393 -3.485 5.162 1.00 10.00 H new ATOM 0 HB2 TYR A 50 -2.903 -4.964 5.871 1.00 10.00 H new ATOM 0 HB3 TYR A 50 -1.538 -5.714 5.068 1.00 10.00 H new ATOM 0 HD1 TYR A 50 0.776 -5.499 6.269 1.00 10.00 H new ATOM 0 HD2 TYR A 50 -2.962 -4.852 8.195 1.00 10.00 H new ATOM 0 HE1 TYR A 50 1.798 -6.054 8.422 1.00 10.00 H new ATOM 0 HE2 TYR A 50 -1.923 -5.334 10.370 1.00 10.00 H new ATOM 0 HH TYR A 50 -0.095 -5.993 11.437 1.00 10.00 H new ATOM 838 N SER A 51 -3.187 -3.098 3.388 1.00 10.00 N ATOM 839 CA SER A 51 -3.582 -2.928 1.990 1.00 10.00 C ATOM 840 C SER A 51 -2.720 -1.826 1.369 1.00 10.00 C ATOM 841 O SER A 51 -1.944 -1.145 2.046 1.00 10.00 O ATOM 842 CB SER A 51 -5.052 -2.576 1.899 1.00 10.00 C ATOM 843 OG SER A 51 -5.389 -1.612 2.868 1.00 10.00 O ATOM 0 H SER A 51 -3.895 -2.850 4.079 1.00 10.00 H new ATOM 0 HA SER A 51 -3.429 -3.859 1.444 1.00 10.00 H new ATOM 0 HB2 SER A 51 -5.280 -2.195 0.904 1.00 10.00 H new ATOM 0 HB3 SER A 51 -5.656 -3.472 2.043 1.00 10.00 H new ATOM 0 HG SER A 51 -5.426 -2.035 3.751 1.00 10.00 H new ATOM 849 N SER A 52 -2.883 -1.652 0.065 1.00 10.00 N ATOM 850 CA SER A 52 -2.138 -0.670 -0.682 1.00 10.00 C ATOM 851 C SER A 52 -3.076 0.459 -1.181 1.00 10.00 C ATOM 852 O SER A 52 -4.299 0.310 -1.204 1.00 10.00 O ATOM 853 CB SER A 52 -1.407 -1.390 -1.831 1.00 10.00 C ATOM 854 OG SER A 52 -2.017 -2.658 -2.131 1.00 10.00 O ATOM 0 H SER A 52 -3.539 -2.193 -0.498 1.00 10.00 H new ATOM 0 HA SER A 52 -1.393 -0.186 -0.050 1.00 10.00 H new ATOM 0 HB2 SER A 52 -1.417 -0.761 -2.721 1.00 10.00 H new ATOM 0 HB3 SER A 52 -0.362 -1.543 -1.560 1.00 10.00 H new ATOM 0 HG SER A 52 -1.531 -3.089 -2.865 1.00 10.00 H new ATOM 860 N ILE A 53 -2.454 1.579 -1.599 1.00 10.00 N ATOM 861 CA ILE A 53 -3.133 2.803 -2.039 1.00 10.00 C ATOM 862 C ILE A 53 -2.492 3.268 -3.365 1.00 10.00 C ATOM 863 O ILE A 53 -1.370 2.871 -3.655 1.00 10.00 O ATOM 864 CB ILE A 53 -3.026 3.930 -0.952 1.00 10.00 C ATOM 865 CG1 ILE A 53 -3.772 3.558 0.338 1.00 10.00 C ATOM 866 CG2 ILE A 53 -3.568 5.251 -1.461 1.00 10.00 C ATOM 867 CD1 ILE A 53 -3.066 2.530 1.195 1.00 10.00 C ATOM 0 H ILE A 53 -1.438 1.654 -1.639 1.00 10.00 H new ATOM 0 HA ILE A 53 -4.193 2.596 -2.189 1.00 10.00 H new ATOM 0 HB ILE A 53 -1.963 4.034 -0.732 1.00 10.00 H new ATOM 0 HG12 ILE A 53 -3.925 4.462 0.928 1.00 10.00 H new ATOM 0 HG13 ILE A 53 -4.759 3.178 0.075 1.00 10.00 H new ATOM 0 HG21 ILE A 53 -3.477 6.007 -0.681 1.00 10.00 H new ATOM 0 HG22 ILE A 53 -3.000 5.564 -2.337 1.00 10.00 H new ATOM 0 HG23 ILE A 53 -4.617 5.134 -1.732 1.00 10.00 H new ATOM 0 HD11 ILE A 53 -3.662 2.327 2.085 1.00 10.00 H new ATOM 0 HD12 ILE A 53 -2.937 1.609 0.626 1.00 10.00 H new ATOM 0 HD13 ILE A 53 -2.090 2.913 1.492 1.00 10.00 H new ATOM 879 N CYS A 54 -3.169 4.088 -4.178 1.00 10.00 N ATOM 880 CA CYS A 54 -2.578 4.557 -5.428 1.00 10.00 C ATOM 881 C CYS A 54 -2.132 6.039 -5.337 1.00 10.00 C ATOM 882 O CYS A 54 -2.624 6.819 -4.524 1.00 10.00 O ATOM 883 CB CYS A 54 -3.556 4.293 -6.578 1.00 10.00 C ATOM 884 SG CYS A 54 -4.967 5.398 -6.625 1.00 10.00 S ATOM 0 H CYS A 54 -4.111 4.434 -3.994 1.00 10.00 H new ATOM 0 HA CYS A 54 -1.664 3.997 -5.627 1.00 10.00 H new ATOM 0 HB2 CYS A 54 -3.017 4.373 -7.522 1.00 10.00 H new ATOM 0 HB3 CYS A 54 -3.917 3.267 -6.503 1.00 10.00 H new ATOM 0 HG CYS A 54 -5.962 4.859 -5.985 1.00 10.00 H new ATOM 889 N SER A 55 -1.177 6.375 -6.204 1.00 10.00 N ATOM 890 CA SER A 55 -0.463 7.675 -6.247 1.00 10.00 C ATOM 891 C SER A 55 -1.289 8.968 -6.298 1.00 10.00 C ATOM 892 O SER A 55 -0.939 9.936 -5.624 1.00 10.00 O ATOM 893 CB SER A 55 0.500 7.637 -7.433 1.00 10.00 C ATOM 894 OG SER A 55 -0.038 6.871 -8.487 1.00 10.00 O ATOM 0 H SER A 55 -0.859 5.732 -6.929 1.00 10.00 H new ATOM 0 HA SER A 55 0.022 7.748 -5.274 1.00 10.00 H new ATOM 0 HB2 SER A 55 0.699 8.651 -7.779 1.00 10.00 H new ATOM 0 HB3 SER A 55 1.454 7.214 -7.120 1.00 10.00 H new ATOM 0 HG SER A 55 -0.562 7.451 -9.078 1.00 10.00 H new ATOM 900 N GLU A 56 -2.355 8.984 -7.063 1.00 10.00 N ATOM 901 CA GLU A 56 -3.194 10.180 -7.248 1.00 10.00 C ATOM 902 C GLU A 56 -3.690 10.813 -5.944 1.00 10.00 C ATOM 903 O GLU A 56 -4.157 11.949 -5.930 1.00 10.00 O ATOM 904 CB GLU A 56 -4.395 9.786 -8.094 1.00 10.00 C ATOM 905 CG GLU A 56 -4.796 8.346 -7.857 1.00 10.00 C ATOM 906 CD GLU A 56 -6.287 8.138 -7.799 1.00 10.00 C ATOM 907 OE1 GLU A 56 -7.008 8.710 -8.629 1.00 10.00 O ATOM 908 OE2 GLU A 56 -6.737 7.367 -6.914 1.00 10.00 O ATOM 0 H GLU A 56 -2.680 8.170 -7.585 1.00 10.00 H new ATOM 0 HA GLU A 56 -2.571 10.934 -7.730 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -5.235 10.441 -7.862 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -4.161 9.930 -9.149 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -4.382 7.726 -8.652 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -4.353 8.003 -6.922 1.00 10.00 H new ATOM 915 N HIS A 57 -3.586 10.066 -4.858 1.00 10.00 N ATOM 916 CA HIS A 57 -4.073 10.519 -3.556 1.00 10.00 C ATOM 917 C HIS A 57 -3.072 11.359 -2.756 1.00 10.00 C ATOM 918 O HIS A 57 -3.475 12.051 -1.819 1.00 10.00 O ATOM 919 CB HIS A 57 -4.498 9.309 -2.731 1.00 10.00 C ATOM 920 CG HIS A 57 -5.644 8.567 -3.339 1.00 10.00 C ATOM 921 ND1 HIS A 57 -6.881 9.124 -3.589 1.00 10.00 N ATOM 922 CD2 HIS A 57 -5.716 7.283 -3.767 1.00 10.00 C ATOM 923 CE1 HIS A 57 -7.652 8.176 -4.143 1.00 10.00 C ATOM 924 NE2 HIS A 57 -6.987 7.040 -4.277 1.00 10.00 N ATOM 0 H HIS A 57 -3.167 9.136 -4.848 1.00 10.00 H new ATOM 0 HA HIS A 57 -4.915 11.180 -3.761 1.00 10.00 H new ATOM 0 HB2 HIS A 57 -3.650 8.633 -2.623 1.00 10.00 H new ATOM 0 HB3 HIS A 57 -4.774 9.637 -1.729 1.00 10.00 H new ATOM 0 HD2 HIS A 57 -4.913 6.562 -3.720 1.00 10.00 H new ATOM 0 HE1 HIS A 57 -8.680 8.321 -4.440 1.00 10.00 H new ATOM 0 HE2 HIS A 57 -7.335 6.166 -4.673 1.00 10.00 H new ATOM 932 N PHE A 58 -1.796 11.330 -3.118 1.00 10.00 N ATOM 933 CA PHE A 58 -0.782 12.085 -2.374 1.00 10.00 C ATOM 934 C PHE A 58 0.155 12.794 -3.312 1.00 10.00 C ATOM 935 O PHE A 58 0.529 12.251 -4.353 1.00 10.00 O ATOM 936 CB PHE A 58 0.058 11.207 -1.442 1.00 10.00 C ATOM 937 CG PHE A 58 -0.139 9.749 -1.644 1.00 10.00 C ATOM 938 CD1 PHE A 58 0.499 9.108 -2.679 1.00 10.00 C ATOM 939 CD2 PHE A 58 -0.952 9.024 -0.799 1.00 10.00 C ATOM 940 CE1 PHE A 58 0.335 7.768 -2.878 1.00 10.00 C ATOM 941 CE2 PHE A 58 -1.128 7.671 -0.988 1.00 10.00 C ATOM 942 CZ PHE A 58 -0.482 7.039 -2.031 1.00 10.00 C ATOM 0 H PHE A 58 -1.436 10.800 -3.912 1.00 10.00 H new ATOM 0 HA PHE A 58 -1.339 12.800 -1.768 1.00 10.00 H new ATOM 0 HB2 PHE A 58 1.112 11.444 -1.588 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.184 11.456 -0.409 1.00 10.00 H new ATOM 0 HD1 PHE A 58 1.138 9.672 -3.343 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -1.455 9.521 0.018 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.842 7.277 -3.695 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -1.768 7.108 -0.324 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.614 5.978 -2.186 1.00 10.00 H new ATOM 952 N THR A 59 0.448 14.040 -2.959 1.00 10.00 N ATOM 953 CA THR A 59 1.341 14.861 -3.716 1.00 10.00 C ATOM 954 C THR A 59 2.524 14.071 -4.187 1.00 10.00 C ATOM 955 O THR A 59 3.054 13.238 -3.460 1.00 10.00 O ATOM 956 CB THR A 59 1.787 16.080 -2.900 1.00 10.00 C ATOM 957 OG1 THR A 59 1.945 15.730 -1.517 1.00 10.00 O ATOM 958 CG2 THR A 59 0.752 17.171 -3.035 1.00 10.00 C ATOM 0 H THR A 59 0.063 14.497 -2.133 1.00 10.00 H new ATOM 0 HA THR A 59 0.805 15.221 -4.594 1.00 10.00 H new ATOM 0 HB THR A 59 2.747 16.431 -3.279 1.00 10.00 H new ATOM 0 HG1 THR A 59 2.232 16.519 -1.011 1.00 10.00 H new ATOM 0 HG21 THR A 59 1.063 18.041 -2.457 1.00 10.00 H new ATOM 0 HG22 THR A 59 0.651 17.449 -4.084 1.00 10.00 H new ATOM 0 HG23 THR A 59 -0.207 16.811 -2.662 1.00 10.00 H new ATOM 966 N PRO A 60 2.912 14.281 -5.435 1.00 10.00 N ATOM 967 CA PRO A 60 4.043 13.595 -6.032 1.00 10.00 C ATOM 968 C PRO A 60 5.277 13.682 -5.159 1.00 10.00 C ATOM 969 O PRO A 60 6.106 12.772 -5.105 1.00 10.00 O ATOM 970 CB PRO A 60 4.278 14.371 -7.340 1.00 10.00 C ATOM 971 CG PRO A 60 3.428 15.602 -7.232 1.00 10.00 C ATOM 972 CD PRO A 60 2.269 15.197 -6.389 1.00 10.00 C ATOM 0 HA PRO A 60 3.849 12.532 -6.174 1.00 10.00 H new ATOM 0 HB2 PRO A 60 5.330 14.630 -7.460 1.00 10.00 H new ATOM 0 HB3 PRO A 60 3.996 13.774 -8.207 1.00 10.00 H new ATOM 0 HG2 PRO A 60 3.980 16.424 -6.776 1.00 10.00 H new ATOM 0 HG3 PRO A 60 3.101 15.944 -8.214 1.00 10.00 H new ATOM 0 HD2 PRO A 60 1.805 16.049 -5.892 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.490 14.704 -6.971 1.00 10.00 H new ATOM 980 N ASP A 61 5.318 14.762 -4.398 1.00 10.00 N ATOM 981 CA ASP A 61 6.361 14.966 -3.417 1.00 10.00 C ATOM 982 C ASP A 61 6.265 13.827 -2.416 1.00 10.00 C ATOM 983 O ASP A 61 7.253 13.150 -2.132 1.00 10.00 O ATOM 984 CB ASP A 61 6.179 16.295 -2.691 1.00 10.00 C ATOM 985 CG ASP A 61 6.029 17.463 -3.643 1.00 10.00 C ATOM 986 OD1 ASP A 61 4.898 17.709 -4.112 1.00 10.00 O ATOM 987 OD2 ASP A 61 7.042 18.131 -3.931 1.00 10.00 O ATOM 0 H ASP A 61 4.632 15.516 -4.445 1.00 10.00 H new ATOM 0 HA ASP A 61 7.334 14.987 -3.908 1.00 10.00 H new ATOM 0 HB2 ASP A 61 5.299 16.237 -2.051 1.00 10.00 H new ATOM 0 HB3 ASP A 61 7.036 16.469 -2.040 1.00 10.00 H new ATOM 992 N SER A 62 5.049 13.588 -1.908 1.00 10.00 N ATOM 993 CA SER A 62 4.834 12.619 -0.850 1.00 10.00 C ATOM 994 C SER A 62 4.592 11.212 -1.345 1.00 10.00 C ATOM 995 O SER A 62 4.254 10.330 -0.571 1.00 10.00 O ATOM 996 CB SER A 62 3.621 13.038 -0.026 1.00 10.00 C ATOM 997 OG SER A 62 3.869 12.883 1.361 1.00 10.00 O ATOM 0 H SER A 62 4.201 14.060 -2.221 1.00 10.00 H new ATOM 0 HA SER A 62 5.752 12.606 -0.263 1.00 10.00 H new ATOM 0 HB2 SER A 62 3.373 14.078 -0.240 1.00 10.00 H new ATOM 0 HB3 SER A 62 2.757 12.438 -0.314 1.00 10.00 H new ATOM 0 HG SER A 62 3.037 12.639 1.817 1.00 10.00 H new ATOM 1003 N PHE A 63 4.744 11.037 -2.648 1.00 10.00 N ATOM 1004 CA PHE A 63 4.551 9.736 -3.291 1.00 10.00 C ATOM 1005 C PHE A 63 5.091 8.550 -2.461 1.00 10.00 C ATOM 1006 O PHE A 63 4.329 7.643 -2.127 1.00 10.00 O ATOM 1007 CB PHE A 63 5.203 9.698 -4.671 1.00 10.00 C ATOM 1008 CG PHE A 63 4.295 10.064 -5.813 1.00 10.00 C ATOM 1009 CD1 PHE A 63 2.918 9.954 -5.695 1.00 10.00 C ATOM 1010 CD2 PHE A 63 4.825 10.515 -7.013 1.00 10.00 C ATOM 1011 CE1 PHE A 63 2.091 10.286 -6.738 1.00 10.00 C ATOM 1012 CE2 PHE A 63 3.997 10.851 -8.068 1.00 10.00 C ATOM 1013 CZ PHE A 63 2.625 10.738 -7.929 1.00 10.00 C ATOM 0 H PHE A 63 5.003 11.785 -3.291 1.00 10.00 H new ATOM 0 HA PHE A 63 3.470 9.622 -3.377 1.00 10.00 H new ATOM 0 HB2 PHE A 63 6.056 10.377 -4.672 1.00 10.00 H new ATOM 0 HB3 PHE A 63 5.594 8.695 -4.844 1.00 10.00 H new ATOM 0 HD1 PHE A 63 2.490 9.602 -4.768 1.00 10.00 H new ATOM 0 HD2 PHE A 63 5.896 10.605 -7.124 1.00 10.00 H new ATOM 0 HE1 PHE A 63 1.021 10.194 -6.628 1.00 10.00 H new ATOM 0 HE2 PHE A 63 4.420 11.201 -8.998 1.00 10.00 H new ATOM 0 HZ PHE A 63 1.974 11.002 -8.749 1.00 10.00 H new ATOM 1023 N LYS A 64 6.399 8.551 -2.129 1.00 10.00 N ATOM 1024 CA LYS A 64 7.002 7.432 -1.368 1.00 10.00 C ATOM 1025 C LYS A 64 8.475 7.678 -1.022 1.00 10.00 C ATOM 1026 O LYS A 64 8.835 8.769 -0.601 1.00 10.00 O ATOM 1027 CB LYS A 64 6.855 6.116 -2.140 1.00 10.00 C ATOM 1028 CG LYS A 64 7.257 6.208 -3.605 1.00 10.00 C ATOM 1029 CD LYS A 64 7.115 4.867 -4.302 1.00 10.00 C ATOM 1030 CE LYS A 64 7.385 4.975 -5.790 1.00 10.00 C ATOM 1031 NZ LYS A 64 8.801 4.667 -6.118 1.00 10.00 N ATOM 0 H LYS A 64 7.049 9.299 -2.370 1.00 10.00 H new ATOM 0 HA LYS A 64 6.457 7.364 -0.426 1.00 10.00 H new ATOM 0 HB2 LYS A 64 7.463 5.352 -1.655 1.00 10.00 H new ATOM 0 HB3 LYS A 64 5.818 5.785 -2.079 1.00 10.00 H new ATOM 0 HG2 LYS A 64 6.637 6.949 -4.109 1.00 10.00 H new ATOM 0 HG3 LYS A 64 8.289 6.552 -3.680 1.00 10.00 H new ATOM 0 HD2 LYS A 64 7.807 4.151 -3.858 1.00 10.00 H new ATOM 0 HD3 LYS A 64 6.109 4.479 -4.142 1.00 10.00 H new ATOM 0 HE2 LYS A 64 6.730 4.290 -6.329 1.00 10.00 H new ATOM 0 HE3 LYS A 64 7.144 5.982 -6.131 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 9.051 5.109 -7.026 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 9.420 5.039 -5.369 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 8.925 3.637 -6.189 1.00 10.00 H new ATOM 1045 N ARG A 65 9.321 6.654 -1.208 1.00 10.00 N ATOM 1046 CA ARG A 65 10.751 6.743 -0.891 1.00 10.00 C ATOM 1047 C ARG A 65 11.471 7.806 -1.727 1.00 10.00 C ATOM 1048 O ARG A 65 12.593 8.197 -1.409 1.00 10.00 O ATOM 1049 CB ARG A 65 11.443 5.372 -1.042 1.00 10.00 C ATOM 1050 CG ARG A 65 11.038 4.572 -2.273 1.00 10.00 C ATOM 1051 CD ARG A 65 11.138 3.067 -2.024 1.00 10.00 C ATOM 1052 NE ARG A 65 12.448 2.504 -2.400 1.00 10.00 N ATOM 1053 CZ ARG A 65 12.891 1.295 -2.007 1.00 10.00 C ATOM 1054 NH1 ARG A 65 12.153 0.545 -1.193 1.00 10.00 N ATOM 1055 NH2 ARG A 65 14.075 0.843 -2.427 1.00 10.00 N ATOM 0 H ARG A 65 9.035 5.748 -1.580 1.00 10.00 H new ATOM 0 HA ARG A 65 10.819 7.053 0.152 1.00 10.00 H new ATOM 0 HB2 ARG A 65 12.521 5.529 -1.069 1.00 10.00 H new ATOM 0 HB3 ARG A 65 11.230 4.776 -0.155 1.00 10.00 H new ATOM 0 HG2 ARG A 65 10.016 4.828 -2.554 1.00 10.00 H new ATOM 0 HG3 ARG A 65 11.677 4.846 -3.112 1.00 10.00 H new ATOM 0 HD2 ARG A 65 10.952 2.866 -0.969 1.00 10.00 H new ATOM 0 HD3 ARG A 65 10.356 2.559 -2.588 1.00 10.00 H new ATOM 0 HE ARG A 65 13.057 3.066 -2.995 1.00 10.00 H new ATOM 0 HH11 ARG A 65 11.249 0.886 -0.865 1.00 10.00 H new ATOM 0 HH12 ARG A 65 12.491 -0.371 -0.897 1.00 10.00 H new ATOM 0 HH21 ARG A 65 14.648 1.414 -3.048 1.00 10.00 H new ATOM 0 HH22 ARG A 65 14.407 -0.074 -2.127 1.00 10.00 H new ATOM 1069 N GLU A 66 10.818 8.285 -2.780 1.00 10.00 N ATOM 1070 CA GLU A 66 11.388 9.318 -3.634 1.00 10.00 C ATOM 1071 C GLU A 66 11.120 10.697 -3.033 1.00 10.00 C ATOM 1072 O GLU A 66 11.354 11.722 -3.677 1.00 10.00 O ATOM 1073 CB GLU A 66 10.851 9.231 -5.077 1.00 10.00 C ATOM 1074 CG GLU A 66 11.542 8.171 -5.920 1.00 10.00 C ATOM 1075 CD GLU A 66 10.999 6.775 -5.683 1.00 10.00 C ATOM 1076 OE1 GLU A 66 10.091 6.609 -4.844 1.00 10.00 O ATOM 1077 OE2 GLU A 66 11.467 5.830 -6.348 1.00 10.00 O ATOM 0 H GLU A 66 9.889 7.972 -3.063 1.00 10.00 H new ATOM 0 HA GLU A 66 12.465 9.157 -3.686 1.00 10.00 H new ATOM 0 HB2 GLU A 66 9.782 9.019 -5.046 1.00 10.00 H new ATOM 0 HB3 GLU A 66 10.970 10.201 -5.559 1.00 10.00 H new ATOM 0 HG2 GLU A 66 11.430 8.424 -6.974 1.00 10.00 H new ATOM 0 HG3 GLU A 66 12.610 8.181 -5.702 1.00 10.00 H new ATOM 1084 N SER A 67 10.570 10.704 -1.816 1.00 10.00 N ATOM 1085 CA SER A 67 10.261 11.933 -1.098 1.00 10.00 C ATOM 1086 C SER A 67 11.553 12.680 -0.690 1.00 10.00 C ATOM 1087 O SER A 67 12.317 13.124 -1.548 1.00 10.00 O ATOM 1088 CB SER A 67 9.380 11.563 0.116 1.00 10.00 C ATOM 1089 OG SER A 67 9.385 12.538 1.145 1.00 10.00 O ATOM 0 H SER A 67 10.328 9.855 -1.305 1.00 10.00 H new ATOM 0 HA SER A 67 9.712 12.624 -1.738 1.00 10.00 H new ATOM 0 HB2 SER A 67 8.355 11.412 -0.223 1.00 10.00 H new ATOM 0 HB3 SER A 67 9.723 10.613 0.526 1.00 10.00 H new ATOM 0 HG SER A 67 9.567 12.105 2.005 1.00 10.00 H new ATOM 1095 N ASN A 68 11.786 12.832 0.608 1.00 10.00 N ATOM 1096 CA ASN A 68 12.966 13.525 1.105 1.00 10.00 C ATOM 1097 C ASN A 68 14.028 12.556 1.617 1.00 10.00 C ATOM 1098 O ASN A 68 15.080 12.389 1.002 1.00 10.00 O ATOM 1099 CB ASN A 68 12.585 14.509 2.215 1.00 10.00 C ATOM 1100 CG ASN A 68 12.574 15.950 1.739 1.00 10.00 C ATOM 1101 OD1 ASN A 68 12.132 16.250 0.629 1.00 10.00 O ATOM 1102 ND2 ASN A 68 13.076 16.849 2.573 1.00 10.00 N ATOM 0 H ASN A 68 11.168 12.481 1.339 1.00 10.00 H new ATOM 0 HA ASN A 68 13.391 14.073 0.264 1.00 10.00 H new ATOM 0 HB2 ASN A 68 11.599 14.251 2.602 1.00 10.00 H new ATOM 0 HB3 ASN A 68 13.288 14.409 3.042 1.00 10.00 H new ATOM 0 HD21 ASN A 68 13.107 17.833 2.305 1.00 10.00 H new ATOM 0 HD22 ASN A 68 13.432 16.557 3.483 1.00 10.00 H new ATOM 1109 N ASN A 69 13.740 11.905 2.743 1.00 10.00 N ATOM 1110 CA ASN A 69 14.700 10.984 3.354 1.00 10.00 C ATOM 1111 C ASN A 69 14.552 9.555 2.839 1.00 10.00 C ATOM 1112 O ASN A 69 15.389 9.081 2.069 1.00 10.00 O ATOM 1113 CB ASN A 69 14.557 10.996 4.885 1.00 10.00 C ATOM 1114 CG ASN A 69 15.441 9.959 5.568 1.00 10.00 C ATOM 1115 OD1 ASN A 69 16.498 9.587 5.058 1.00 10.00 O ATOM 1116 ND2 ASN A 69 15.020 9.495 6.735 1.00 10.00 N ATOM 0 H ASN A 69 12.858 11.996 3.248 1.00 10.00 H new ATOM 0 HA ASN A 69 15.692 11.335 3.071 1.00 10.00 H new ATOM 0 HB2 ASN A 69 14.810 11.987 5.261 1.00 10.00 H new ATOM 0 HB3 ASN A 69 13.516 10.811 5.150 1.00 10.00 H new ATOM 0 HD21 ASN A 69 15.577 8.807 7.241 1.00 10.00 H new ATOM 0 HD22 ASN A 69 14.139 9.826 7.128 1.00 10.00 H new ATOM 1123 N LYS A 70 13.486 8.874 3.247 1.00 10.00 N ATOM 1124 CA LYS A 70 13.290 7.487 2.839 1.00 10.00 C ATOM 1125 C LYS A 70 11.811 7.135 2.660 1.00 10.00 C ATOM 1126 O LYS A 70 11.477 6.171 1.979 1.00 10.00 O ATOM 1127 CB LYS A 70 13.940 6.563 3.876 1.00 10.00 C ATOM 1128 CG LYS A 70 14.140 5.134 3.393 1.00 10.00 C ATOM 1129 CD LYS A 70 15.215 5.044 2.315 1.00 10.00 C ATOM 1130 CE LYS A 70 16.596 5.369 2.867 1.00 10.00 C ATOM 1131 NZ LYS A 70 17.661 5.165 1.852 1.00 10.00 N ATOM 0 H LYS A 70 12.755 9.252 3.850 1.00 10.00 H new ATOM 0 HA LYS A 70 13.763 7.350 1.867 1.00 10.00 H new ATOM 0 HB2 LYS A 70 14.907 6.978 4.162 1.00 10.00 H new ATOM 0 HB3 LYS A 70 13.321 6.549 4.773 1.00 10.00 H new ATOM 0 HG2 LYS A 70 14.417 4.501 4.236 1.00 10.00 H new ATOM 0 HG3 LYS A 70 13.199 4.748 3.001 1.00 10.00 H new ATOM 0 HD2 LYS A 70 15.220 4.040 1.890 1.00 10.00 H new ATOM 0 HD3 LYS A 70 14.976 5.733 1.505 1.00 10.00 H new ATOM 0 HE2 LYS A 70 16.615 6.403 3.210 1.00 10.00 H new ATOM 0 HE3 LYS A 70 16.797 4.741 3.735 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 18.586 5.397 2.268 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 17.660 4.172 1.542 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 17.484 5.783 1.034 1.00 10.00 H new ATOM 1145 N LEU A 71 10.931 7.907 3.271 1.00 10.00 N ATOM 1146 CA LEU A 71 9.500 7.654 3.168 1.00 10.00 C ATOM 1147 C LEU A 71 8.813 8.914 2.648 1.00 10.00 C ATOM 1148 O LEU A 71 9.493 9.768 2.115 1.00 10.00 O ATOM 1149 CB LEU A 71 8.979 7.202 4.534 1.00 10.00 C ATOM 1150 CG LEU A 71 8.036 6.002 4.508 1.00 10.00 C ATOM 1151 CD1 LEU A 71 6.828 6.273 5.379 1.00 10.00 C ATOM 1152 CD2 LEU A 71 7.616 5.672 3.080 1.00 10.00 C ATOM 0 H LEU A 71 11.179 8.714 3.844 1.00 10.00 H new ATOM 0 HA LEU A 71 9.282 6.854 2.460 1.00 10.00 H new ATOM 0 HB2 LEU A 71 9.832 6.959 5.168 1.00 10.00 H new ATOM 0 HB3 LEU A 71 8.462 8.039 5.003 1.00 10.00 H new ATOM 0 HG LEU A 71 8.564 5.135 4.906 1.00 10.00 H new ATOM 0 HD11 LEU A 71 6.161 5.411 5.354 1.00 10.00 H new ATOM 0 HD12 LEU A 71 7.152 6.452 6.404 1.00 10.00 H new ATOM 0 HD13 LEU A 71 6.300 7.151 5.006 1.00 10.00 H new ATOM 0 HD21 LEU A 71 6.944 4.814 3.087 1.00 10.00 H new ATOM 0 HD22 LEU A 71 7.104 6.530 2.644 1.00 10.00 H new ATOM 0 HD23 LEU A 71 8.499 5.437 2.486 1.00 10.00 H new ATOM 1164 N LEU A 72 7.486 9.049 2.871 1.00 10.00 N ATOM 1165 CA LEU A 72 6.702 10.196 2.356 1.00 10.00 C ATOM 1166 C LEU A 72 7.214 11.490 2.962 1.00 10.00 C ATOM 1167 O LEU A 72 8.222 11.535 3.668 1.00 10.00 O ATOM 1168 CB LEU A 72 5.208 10.005 2.629 1.00 10.00 C ATOM 1169 CG LEU A 72 4.690 8.586 2.367 1.00 10.00 C ATOM 1170 CD1 LEU A 72 4.478 7.857 3.667 1.00 10.00 C ATOM 1171 CD2 LEU A 72 3.397 8.595 1.580 1.00 10.00 C ATOM 0 H LEU A 72 6.935 8.377 3.405 1.00 10.00 H new ATOM 0 HA LEU A 72 6.830 10.250 1.275 1.00 10.00 H new ATOM 0 HB2 LEU A 72 5.005 10.266 3.668 1.00 10.00 H new ATOM 0 HB3 LEU A 72 4.646 10.704 2.009 1.00 10.00 H new ATOM 0 HG LEU A 72 5.446 8.071 1.775 1.00 10.00 H new ATOM 0 HD11 LEU A 72 4.110 6.851 3.464 1.00 10.00 H new ATOM 0 HD12 LEU A 72 5.422 7.796 4.208 1.00 10.00 H new ATOM 0 HD13 LEU A 72 3.748 8.395 4.271 1.00 10.00 H new ATOM 0 HD21 LEU A 72 3.064 7.570 1.416 1.00 10.00 H new ATOM 0 HD22 LEU A 72 2.635 9.139 2.138 1.00 10.00 H new ATOM 0 HD23 LEU A 72 3.560 9.082 0.619 1.00 10.00 H new ATOM 1183 N LYS A 73 6.472 12.554 2.693 1.00 10.00 N ATOM 1184 CA LYS A 73 6.722 13.818 3.360 1.00 10.00 C ATOM 1185 C LYS A 73 5.894 13.703 4.627 1.00 10.00 C ATOM 1186 O LYS A 73 4.680 13.764 4.560 1.00 10.00 O ATOM 1187 CB LYS A 73 6.263 15.079 2.594 1.00 10.00 C ATOM 1188 CG LYS A 73 6.215 14.983 1.077 1.00 10.00 C ATOM 1189 CD LYS A 73 7.539 14.574 0.470 1.00 10.00 C ATOM 1190 CE LYS A 73 8.660 15.552 0.767 1.00 10.00 C ATOM 1191 NZ LYS A 73 8.501 16.828 0.029 1.00 10.00 N ATOM 0 H LYS A 73 5.701 12.566 2.025 1.00 10.00 H new ATOM 0 HA LYS A 73 7.796 13.956 3.488 1.00 10.00 H new ATOM 0 HB2 LYS A 73 5.268 15.348 2.949 1.00 10.00 H new ATOM 0 HB3 LYS A 73 6.929 15.899 2.861 1.00 10.00 H new ATOM 0 HG2 LYS A 73 5.450 14.262 0.788 1.00 10.00 H new ATOM 0 HG3 LYS A 73 5.915 15.947 0.666 1.00 10.00 H new ATOM 0 HD2 LYS A 73 7.815 13.589 0.847 1.00 10.00 H new ATOM 0 HD3 LYS A 73 7.423 14.481 -0.610 1.00 10.00 H new ATOM 0 HE2 LYS A 73 8.689 15.755 1.838 1.00 10.00 H new ATOM 0 HE3 LYS A 73 9.615 15.098 0.503 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 9.021 17.581 0.522 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 8.878 16.721 -0.935 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 7.493 17.078 -0.019 1.00 10.00 H new ATOM 1205 N GLU A 74 6.534 13.419 5.739 1.00 10.00 N ATOM 1206 CA GLU A 74 5.836 13.242 7.029 1.00 10.00 C ATOM 1207 C GLU A 74 4.908 14.396 7.444 1.00 10.00 C ATOM 1208 O GLU A 74 4.201 14.331 8.454 1.00 10.00 O ATOM 1209 CB GLU A 74 6.852 13.022 8.139 1.00 10.00 C ATOM 1210 CG GLU A 74 7.316 14.298 8.827 1.00 10.00 C ATOM 1211 CD GLU A 74 8.273 15.113 7.982 1.00 10.00 C ATOM 1212 OE1 GLU A 74 7.806 15.972 7.210 1.00 10.00 O ATOM 1213 OE2 GLU A 74 9.500 14.895 8.084 1.00 10.00 O ATOM 0 H GLU A 74 7.546 13.301 5.794 1.00 10.00 H new ATOM 0 HA GLU A 74 5.194 12.374 6.878 1.00 10.00 H new ATOM 0 HB2 GLU A 74 6.418 12.358 8.886 1.00 10.00 H new ATOM 0 HB3 GLU A 74 7.721 12.511 7.724 1.00 10.00 H new ATOM 0 HG2 GLU A 74 6.447 14.908 9.072 1.00 10.00 H new ATOM 0 HG3 GLU A 74 7.801 14.041 9.769 1.00 10.00 H new ATOM 1220 N ASN A 75 4.917 15.425 6.636 1.00 10.00 N ATOM 1221 CA ASN A 75 4.043 16.577 6.800 1.00 10.00 C ATOM 1222 C ASN A 75 2.949 16.562 5.721 1.00 10.00 C ATOM 1223 O ASN A 75 2.315 17.574 5.431 1.00 10.00 O ATOM 1224 CB ASN A 75 4.841 17.862 6.689 1.00 10.00 C ATOM 1225 CG ASN A 75 5.024 18.538 8.028 1.00 10.00 C ATOM 1226 OD1 ASN A 75 5.112 19.762 8.111 1.00 10.00 O ATOM 1227 ND2 ASN A 75 5.095 17.747 9.086 1.00 10.00 N ATOM 0 H ASN A 75 5.539 15.495 5.830 1.00 10.00 H new ATOM 0 HA ASN A 75 3.582 16.526 7.787 1.00 10.00 H new ATOM 0 HB2 ASN A 75 5.818 17.645 6.257 1.00 10.00 H new ATOM 0 HB3 ASN A 75 4.335 18.544 6.006 1.00 10.00 H new ATOM 0 HD21 ASN A 75 5.227 18.148 10.015 1.00 10.00 H new ATOM 0 HD22 ASN A 75 5.017 16.736 8.973 1.00 10.00 H new ATOM 1234 N ALA A 76 2.753 15.390 5.136 1.00 10.00 N ATOM 1235 CA ALA A 76 1.769 15.157 4.068 1.00 10.00 C ATOM 1236 C ALA A 76 1.183 13.761 4.210 1.00 10.00 C ATOM 1237 O ALA A 76 1.835 12.782 4.573 1.00 10.00 O ATOM 1238 CB ALA A 76 2.429 15.285 2.693 1.00 10.00 C ATOM 0 H ALA A 76 3.279 14.553 5.389 1.00 10.00 H new ATOM 0 HA ALA A 76 0.980 15.903 4.155 1.00 10.00 H new ATOM 0 HB1 ALA A 76 1.686 15.109 1.915 1.00 10.00 H new ATOM 0 HB2 ALA A 76 2.843 16.287 2.580 1.00 10.00 H new ATOM 0 HB3 ALA A 76 3.229 14.550 2.603 1.00 10.00 H new ATOM 1244 N VAL A 77 -0.108 13.753 3.880 1.00 10.00 N ATOM 1245 CA VAL A 77 -1.000 12.607 3.910 1.00 10.00 C ATOM 1246 C VAL A 77 -2.022 12.783 2.780 1.00 10.00 C ATOM 1247 O VAL A 77 -2.319 13.921 2.410 1.00 10.00 O ATOM 1248 CB VAL A 77 -1.729 12.549 5.297 1.00 10.00 C ATOM 1249 CG1 VAL A 77 -1.890 13.941 5.897 1.00 10.00 C ATOM 1250 CG2 VAL A 77 -3.099 11.890 5.213 1.00 10.00 C ATOM 0 H VAL A 77 -0.582 14.600 3.567 1.00 10.00 H new ATOM 0 HA VAL A 77 -0.446 11.678 3.774 1.00 10.00 H new ATOM 0 HB VAL A 77 -1.093 11.940 5.940 1.00 10.00 H new ATOM 0 HG11 VAL A 77 -2.399 13.866 6.858 1.00 10.00 H new ATOM 0 HG12 VAL A 77 -0.908 14.391 6.041 1.00 10.00 H new ATOM 0 HG13 VAL A 77 -2.479 14.562 5.222 1.00 10.00 H new ATOM 0 HG21 VAL A 77 -3.558 11.877 6.202 1.00 10.00 H new ATOM 0 HG22 VAL A 77 -3.732 12.452 4.527 1.00 10.00 H new ATOM 0 HG23 VAL A 77 -2.989 10.868 4.851 1.00 10.00 H new ATOM 1260 N PRO A 78 -2.508 11.672 2.174 1.00 10.00 N ATOM 1261 CA PRO A 78 -3.525 11.708 1.116 1.00 10.00 C ATOM 1262 C PRO A 78 -4.591 12.695 1.543 1.00 10.00 C ATOM 1263 O PRO A 78 -5.270 12.538 2.556 1.00 10.00 O ATOM 1264 CB PRO A 78 -4.044 10.263 1.048 1.00 10.00 C ATOM 1265 CG PRO A 78 -3.323 9.510 2.117 1.00 10.00 C ATOM 1266 CD PRO A 78 -2.108 10.317 2.481 1.00 10.00 C ATOM 0 HA PRO A 78 -3.169 12.028 0.137 1.00 10.00 H new ATOM 0 HB2 PRO A 78 -5.122 10.229 1.207 1.00 10.00 H new ATOM 0 HB3 PRO A 78 -3.853 9.826 0.068 1.00 10.00 H new ATOM 0 HG2 PRO A 78 -3.964 9.366 2.986 1.00 10.00 H new ATOM 0 HG3 PRO A 78 -3.036 8.519 1.764 1.00 10.00 H new ATOM 0 HD2 PRO A 78 -1.849 10.202 3.533 1.00 10.00 H new ATOM 0 HD3 PRO A 78 -1.235 10.014 1.903 1.00 10.00 H new ATOM 1274 N THR A 79 -4.709 13.711 0.719 1.00 10.00 N ATOM 1275 CA THR A 79 -5.684 14.760 0.878 1.00 10.00 C ATOM 1276 C THR A 79 -6.525 14.860 -0.401 1.00 10.00 C ATOM 1277 O THR A 79 -7.541 15.551 -0.452 1.00 10.00 O ATOM 1278 CB THR A 79 -5.007 16.104 1.220 1.00 10.00 C ATOM 1279 OG1 THR A 79 -5.828 16.848 2.131 1.00 10.00 O ATOM 1280 CG2 THR A 79 -4.721 16.934 -0.026 1.00 10.00 C ATOM 0 H THR A 79 -4.113 13.832 -0.100 1.00 10.00 H new ATOM 0 HA THR A 79 -6.340 14.519 1.714 1.00 10.00 H new ATOM 0 HB THR A 79 -4.049 15.880 1.690 1.00 10.00 H new ATOM 0 HG1 THR A 79 -5.391 17.699 2.345 1.00 10.00 H new ATOM 0 HG21 THR A 79 -4.245 17.871 0.262 1.00 10.00 H new ATOM 0 HG22 THR A 79 -4.058 16.379 -0.689 1.00 10.00 H new ATOM 0 HG23 THR A 79 -5.656 17.147 -0.544 1.00 10.00 H new ATOM 1288 N ILE A 80 -6.084 14.134 -1.432 1.00 10.00 N ATOM 1289 CA ILE A 80 -6.717 14.159 -2.750 1.00 10.00 C ATOM 1290 C ILE A 80 -7.706 12.990 -2.904 1.00 10.00 C ATOM 1291 O ILE A 80 -8.210 12.739 -3.995 1.00 10.00 O ATOM 1292 CB ILE A 80 -5.662 14.045 -3.880 1.00 10.00 C ATOM 1293 CG1 ILE A 80 -4.346 14.747 -3.491 1.00 10.00 C ATOM 1294 CG2 ILE A 80 -6.214 14.610 -5.186 1.00 10.00 C ATOM 1295 CD1 ILE A 80 -4.201 16.155 -4.030 1.00 10.00 C ATOM 0 H ILE A 80 -5.277 13.512 -1.375 1.00 10.00 H new ATOM 0 HA ILE A 80 -7.244 15.110 -2.831 1.00 10.00 H new ATOM 0 HB ILE A 80 -5.440 12.988 -4.028 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -4.274 14.779 -2.404 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -3.509 14.147 -3.849 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -5.460 14.522 -5.968 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -7.105 14.052 -5.476 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -6.472 15.660 -5.048 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -3.247 16.572 -3.707 1.00 10.00 H new ATOM 0 HD12 ILE A 80 -4.238 16.133 -5.119 1.00 10.00 H new ATOM 0 HD13 ILE A 80 -5.014 16.775 -3.652 1.00 10.00 H new ATOM 1307 N PHE A 81 -7.946 12.264 -1.808 1.00 10.00 N ATOM 1308 CA PHE A 81 -8.831 11.083 -1.813 1.00 10.00 C ATOM 1309 C PHE A 81 -10.087 11.254 -2.668 1.00 10.00 C ATOM 1310 O PHE A 81 -10.362 10.409 -3.519 1.00 10.00 O ATOM 1311 CB PHE A 81 -9.255 10.702 -0.394 1.00 10.00 C ATOM 1312 CG PHE A 81 -8.327 9.742 0.314 1.00 10.00 C ATOM 1313 CD1 PHE A 81 -7.436 8.932 -0.381 1.00 10.00 C ATOM 1314 CD2 PHE A 81 -8.366 9.641 1.691 1.00 10.00 C ATOM 1315 CE1 PHE A 81 -6.607 8.052 0.289 1.00 10.00 C ATOM 1316 CE2 PHE A 81 -7.542 8.762 2.364 1.00 10.00 C ATOM 1317 CZ PHE A 81 -6.661 7.968 1.663 1.00 10.00 C ATOM 0 H PHE A 81 -7.538 12.472 -0.896 1.00 10.00 H new ATOM 0 HA PHE A 81 -8.233 10.288 -2.259 1.00 10.00 H new ATOM 0 HB2 PHE A 81 -9.336 11.611 0.201 1.00 10.00 H new ATOM 0 HB3 PHE A 81 -10.250 10.258 -0.435 1.00 10.00 H new ATOM 0 HD1 PHE A 81 -7.391 8.991 -1.458 1.00 10.00 H new ATOM 0 HD2 PHE A 81 -9.052 10.260 2.250 1.00 10.00 H new ATOM 0 HE1 PHE A 81 -5.918 7.431 -0.264 1.00 10.00 H new ATOM 0 HE2 PHE A 81 -7.588 8.697 3.441 1.00 10.00 H new ATOM 0 HZ PHE A 81 -6.014 7.281 2.189 1.00 10.00 H new ATOM 1327 N LEU A 82 -10.843 12.320 -2.441 1.00 10.00 N ATOM 1328 CA LEU A 82 -12.069 12.563 -3.197 1.00 10.00 C ATOM 1329 C LEU A 82 -12.522 14.010 -3.042 1.00 10.00 C ATOM 1330 O LEU A 82 -11.969 14.759 -2.237 1.00 10.00 O ATOM 1331 CB LEU A 82 -13.184 11.625 -2.708 1.00 10.00 C ATOM 1332 CG LEU A 82 -13.675 10.536 -3.686 1.00 10.00 C ATOM 1333 CD1 LEU A 82 -15.184 10.618 -3.850 1.00 10.00 C ATOM 1334 CD2 LEU A 82 -12.995 10.623 -5.045 1.00 10.00 C ATOM 0 H LEU A 82 -10.631 13.031 -1.741 1.00 10.00 H new ATOM 0 HA LEU A 82 -11.863 12.369 -4.250 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -12.835 11.131 -1.801 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -14.041 12.238 -2.428 1.00 10.00 H new ATOM 0 HG LEU A 82 -13.406 9.573 -3.253 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -15.517 9.845 -4.542 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -15.664 10.470 -2.882 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -15.455 11.598 -4.243 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -13.377 9.835 -5.694 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -13.202 11.595 -5.494 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -11.919 10.502 -4.922 1.00 10.00 H new