USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 454 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 23 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.19) USER MOD Set 1.2: A 27 TYR OH : rot 120:sc= 0 USER MOD Set 2.1: A 19 TYR OH : rot -129:sc= 0.502 USER MOD Set 2.2: A 35 ASN : amide:sc= 0.332 K(o=0.83,f=0.025) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 24 ASN : amide:sc= -0.0189 X(o=-0.019,f=-0.016) USER MOD Single : A 28 SER OG : rot 180:sc= 0.457 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -0.223 K(o=-0.22,f=-1) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.856 K(o=0.86,f=-0.49) USER MOD Single : A 56 GLN : amide:sc= -0.0744 X(o=-0.074,f=-0.23) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 141:sc= 0.737 USER MOD ----------------------------------------------------------------- ATOM 8 N ALA A 12 1.393 2.211 -0.391 1.00 0.00 N ATOM 9 CA ALA A 12 1.782 3.604 -0.570 1.00 0.00 C ATOM 10 C ALA A 12 1.930 4.312 0.771 1.00 0.00 C ATOM 11 O ALA A 12 2.872 5.076 0.980 1.00 0.00 O ATOM 12 CB ALA A 12 0.771 4.329 -1.446 1.00 0.00 C ATOM 0 HA ALA A 12 2.752 3.621 -1.067 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.076 5.368 -1.570 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.723 3.846 -2.422 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.211 4.293 -0.974 1.00 0.00 H new ATOM 18 N PRO A 13 0.994 4.053 1.676 1.00 0.00 N ATOM 19 CA PRO A 13 1.037 4.637 3.011 1.00 0.00 C ATOM 20 C PRO A 13 2.350 4.312 3.713 1.00 0.00 C ATOM 21 O PRO A 13 2.934 5.163 4.385 1.00 0.00 O ATOM 22 CB PRO A 13 -0.168 4.021 3.729 1.00 0.00 C ATOM 23 CG PRO A 13 -1.115 3.673 2.633 1.00 0.00 C ATOM 24 CD PRO A 13 -0.251 3.203 1.493 1.00 0.00 C ATOM 0 HA PRO A 13 0.988 5.726 2.996 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.119 3.139 4.301 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.615 4.725 4.431 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.810 2.894 2.947 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.714 4.536 2.342 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -0.032 2.137 1.559 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -0.723 3.372 0.525 1.00 0.00 H new ATOM 32 N GLY A 14 2.809 3.076 3.553 1.00 0.00 N ATOM 33 CA GLY A 14 4.059 2.638 4.164 1.00 0.00 C ATOM 34 C GLY A 14 5.257 3.323 3.520 1.00 0.00 C ATOM 35 O GLY A 14 6.202 3.715 4.204 1.00 0.00 O ATOM 0 H GLY A 14 2.334 2.359 3.005 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.042 2.858 5.231 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.157 1.557 4.063 1.00 0.00 H new ATOM 39 N ILE A 15 5.212 3.467 2.200 1.00 0.00 N ATOM 40 CA ILE A 15 6.273 4.144 1.465 1.00 0.00 C ATOM 41 C ILE A 15 6.367 5.611 1.862 1.00 0.00 C ATOM 42 O ILE A 15 7.458 6.137 2.083 1.00 0.00 O ATOM 43 CB ILE A 15 6.059 4.046 -0.056 1.00 0.00 C ATOM 44 CG1 ILE A 15 6.246 2.603 -0.530 1.00 0.00 C ATOM 45 CG2 ILE A 15 7.012 4.978 -0.788 1.00 0.00 C ATOM 46 CD1 ILE A 15 5.779 2.359 -1.947 1.00 0.00 C ATOM 0 H ILE A 15 4.450 3.123 1.616 1.00 0.00 H new ATOM 0 HA ILE A 15 7.205 3.640 1.723 1.00 0.00 H new ATOM 0 HB ILE A 15 5.038 4.352 -0.283 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.301 2.340 -0.455 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.703 1.937 0.141 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.847 4.896 -1.862 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.832 6.005 -0.470 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.041 4.702 -0.557 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.944 1.314 -2.210 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.716 2.589 -2.025 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.339 2.998 -2.630 1.00 0.00 H new ATOM 58 N ILE A 16 5.216 6.270 1.951 1.00 0.00 N ATOM 59 CA ILE A 16 5.170 7.694 2.264 1.00 0.00 C ATOM 60 C ILE A 16 5.614 7.958 3.696 1.00 0.00 C ATOM 61 O ILE A 16 6.416 8.857 3.951 1.00 0.00 O ATOM 62 CB ILE A 16 3.757 8.271 2.060 1.00 0.00 C ATOM 63 CG1 ILE A 16 3.389 8.269 0.573 1.00 0.00 C ATOM 64 CG2 ILE A 16 3.670 9.678 2.630 1.00 0.00 C ATOM 65 CD1 ILE A 16 1.928 8.551 0.306 1.00 0.00 C ATOM 0 H ILE A 16 4.302 5.840 1.811 1.00 0.00 H new ATOM 0 HA ILE A 16 5.857 8.189 1.578 1.00 0.00 H new ATOM 0 HB ILE A 16 3.045 7.640 2.592 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.994 9.015 0.058 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.646 7.300 0.146 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.665 10.071 2.477 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.892 9.653 3.697 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.391 10.320 2.125 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.744 8.533 -0.768 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.316 7.791 0.792 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.669 9.533 0.702 1.00 0.00 H new ATOM 77 N LEU A 17 5.090 7.170 4.629 1.00 0.00 N ATOM 78 CA LEU A 17 5.448 7.304 6.035 1.00 0.00 C ATOM 79 C LEU A 17 6.945 7.116 6.242 1.00 0.00 C ATOM 80 O LEU A 17 7.608 7.954 6.854 1.00 0.00 O ATOM 81 CB LEU A 17 4.662 6.296 6.881 1.00 0.00 C ATOM 82 CG LEU A 17 4.962 6.329 8.385 1.00 0.00 C ATOM 83 CD1 LEU A 17 4.610 7.695 8.957 1.00 0.00 C ATOM 84 CD2 LEU A 17 4.176 5.231 9.086 1.00 0.00 C ATOM 0 H LEU A 17 4.415 6.431 4.435 1.00 0.00 H new ATOM 0 HA LEU A 17 5.189 8.313 6.355 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.597 6.477 6.735 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.869 5.293 6.508 1.00 0.00 H new ATOM 0 HG LEU A 17 6.026 6.155 8.547 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.826 7.709 10.025 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.201 8.462 8.457 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.550 7.893 8.799 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.390 5.256 10.154 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.109 5.388 8.926 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.465 4.261 8.680 1.00 0.00 H new ATOM 96 N ARG A 18 7.474 6.011 5.728 1.00 0.00 N ATOM 97 CA ARG A 18 8.909 5.755 5.772 1.00 0.00 C ATOM 98 C ARG A 18 9.691 6.900 5.140 1.00 0.00 C ATOM 99 O ARG A 18 10.693 7.357 5.689 1.00 0.00 O ATOM 100 CB ARG A 18 9.274 4.418 5.144 1.00 0.00 C ATOM 101 CG ARG A 18 10.761 4.100 5.135 1.00 0.00 C ATOM 102 CD ARG A 18 11.097 2.760 4.588 1.00 0.00 C ATOM 103 NE ARG A 18 12.522 2.505 4.453 1.00 0.00 N ATOM 104 CZ ARG A 18 13.054 1.338 4.041 1.00 0.00 C ATOM 105 NH1 ARG A 18 12.289 0.307 3.760 1.00 0.00 N ATOM 106 NH2 ARG A 18 14.370 1.250 3.950 1.00 0.00 N ATOM 0 H ARG A 18 6.929 5.277 5.275 1.00 0.00 H new ATOM 0 HA ARG A 18 9.192 5.696 6.823 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.751 3.626 5.680 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.908 4.403 4.117 1.00 0.00 H new ATOM 0 HG2 ARG A 18 11.279 4.859 4.549 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.142 4.169 6.154 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.664 1.998 5.236 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.627 2.652 3.610 1.00 0.00 H new ATOM 0 HE ARG A 18 13.164 3.263 4.687 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.276 0.383 3.853 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.708 -0.569 3.449 1.00 0.00 H new ATOM 0 HH21 ARG A 18 14.953 2.053 4.189 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.803 0.380 3.641 1.00 0.00 H new ATOM 120 N TYR A 19 9.227 7.358 3.982 1.00 0.00 N ATOM 121 CA TYR A 19 9.877 8.457 3.278 1.00 0.00 C ATOM 122 C TYR A 19 9.977 9.695 4.160 1.00 0.00 C ATOM 123 O TYR A 19 11.047 10.292 4.291 1.00 0.00 O ATOM 124 CB TYR A 19 9.119 8.791 1.991 1.00 0.00 C ATOM 125 CG TYR A 19 9.630 10.025 1.281 1.00 0.00 C ATOM 126 CD1 TYR A 19 10.808 9.992 0.550 1.00 0.00 C ATOM 127 CD2 TYR A 19 8.931 11.221 1.343 1.00 0.00 C ATOM 128 CE1 TYR A 19 11.279 11.115 -0.100 1.00 0.00 C ATOM 129 CE2 TYR A 19 9.391 12.352 0.698 1.00 0.00 C ATOM 130 CZ TYR A 19 10.567 12.296 -0.024 1.00 0.00 C ATOM 131 OH TYR A 19 11.030 13.418 -0.670 1.00 0.00 O ATOM 0 H TYR A 19 8.403 6.985 3.511 1.00 0.00 H new ATOM 0 HA TYR A 19 10.887 8.137 3.023 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.183 7.941 1.312 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.064 8.931 2.228 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.367 9.070 0.488 1.00 0.00 H new ATOM 0 HD2 TYR A 19 8.010 11.269 1.906 1.00 0.00 H new ATOM 0 HE1 TYR A 19 12.199 11.070 -0.665 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.834 13.275 0.758 1.00 0.00 H new ATOM 0 HH TYR A 19 11.056 14.170 -0.042 1.00 0.00 H new ATOM 141 N LEU A 20 8.858 10.076 4.766 1.00 0.00 N ATOM 142 CA LEU A 20 8.795 11.294 5.564 1.00 0.00 C ATOM 143 C LEU A 20 9.688 11.193 6.794 1.00 0.00 C ATOM 144 O LEU A 20 10.280 12.183 7.226 1.00 0.00 O ATOM 145 CB LEU A 20 7.346 11.583 5.978 1.00 0.00 C ATOM 146 CG LEU A 20 6.409 11.987 4.834 1.00 0.00 C ATOM 147 CD1 LEU A 20 4.972 12.054 5.334 1.00 0.00 C ATOM 148 CD2 LEU A 20 6.846 13.331 4.269 1.00 0.00 C ATOM 0 H LEU A 20 7.981 9.558 4.719 1.00 0.00 H new ATOM 0 HA LEU A 20 9.159 12.119 4.952 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.940 10.695 6.463 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.349 12.380 6.722 1.00 0.00 H new ATOM 0 HG LEU A 20 6.460 11.240 4.042 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.314 12.342 4.514 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.673 11.077 5.713 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.899 12.791 6.133 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.179 13.618 3.456 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.806 14.086 5.054 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.866 13.253 3.892 1.00 0.00 H new ATOM 160 N GLN A 21 9.780 9.993 7.355 1.00 0.00 N ATOM 161 CA GLN A 21 10.596 9.762 8.540 1.00 0.00 C ATOM 162 C GLN A 21 12.082 9.813 8.206 1.00 0.00 C ATOM 163 O GLN A 21 12.882 10.355 8.968 1.00 0.00 O ATOM 164 CB GLN A 21 10.256 8.409 9.171 1.00 0.00 C ATOM 165 CG GLN A 21 8.914 8.374 9.883 1.00 0.00 C ATOM 166 CD GLN A 21 8.589 7.000 10.438 1.00 0.00 C ATOM 167 OE1 GLN A 21 9.302 6.027 10.180 1.00 0.00 O ATOM 168 NE2 GLN A 21 7.506 6.913 11.202 1.00 0.00 N ATOM 0 H GLN A 21 9.298 9.164 7.007 1.00 0.00 H new ATOM 0 HA GLN A 21 10.374 10.557 9.252 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.262 7.646 8.393 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.039 8.145 9.882 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.918 9.100 10.696 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.130 8.677 9.189 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.946 7.745 11.389 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.235 6.015 11.602 1.00 0.00 H new ATOM 177 N GLU A 22 12.444 9.245 7.060 1.00 0.00 N ATOM 178 CA GLU A 22 13.838 9.202 6.633 1.00 0.00 C ATOM 179 C GLU A 22 14.340 10.588 6.248 1.00 0.00 C ATOM 180 O GLU A 22 15.503 10.922 6.472 1.00 0.00 O ATOM 181 CB GLU A 22 14.010 8.236 5.460 1.00 0.00 C ATOM 182 CG GLU A 22 13.935 6.764 5.841 1.00 0.00 C ATOM 183 CD GLU A 22 14.101 5.879 4.637 1.00 0.00 C ATOM 184 OE1 GLU A 22 14.111 6.391 3.544 1.00 0.00 O ATOM 185 OE2 GLU A 22 14.331 4.706 4.815 1.00 0.00 O ATOM 0 H GLU A 22 11.791 8.808 6.410 1.00 0.00 H new ATOM 0 HA GLU A 22 14.433 8.846 7.474 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.241 8.446 4.717 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.973 8.427 4.986 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.710 6.536 6.573 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.976 6.558 6.317 1.00 0.00 H new ATOM 192 N GLN A 23 13.455 11.392 5.668 1.00 0.00 N ATOM 193 CA GLN A 23 13.812 12.736 5.231 1.00 0.00 C ATOM 194 C GLN A 23 13.778 13.720 6.392 1.00 0.00 C ATOM 195 O GLN A 23 14.611 14.623 6.478 1.00 0.00 O ATOM 196 CB GLN A 23 12.865 13.209 4.125 1.00 0.00 C ATOM 197 CG GLN A 23 12.964 12.409 2.836 1.00 0.00 C ATOM 198 CD GLN A 23 14.363 12.424 2.252 1.00 0.00 C ATOM 199 OE1 GLN A 23 14.987 13.481 2.125 1.00 0.00 O ATOM 200 NE2 GLN A 23 14.864 11.248 1.888 1.00 0.00 N ATOM 0 H GLN A 23 12.484 11.135 5.490 1.00 0.00 H new ATOM 0 HA GLN A 23 14.829 12.698 4.841 1.00 0.00 H new ATOM 0 HB2 GLN A 23 11.840 13.158 4.493 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.074 14.256 3.907 1.00 0.00 H new ATOM 0 HG2 GLN A 23 12.664 11.379 3.027 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.264 12.814 2.105 1.00 0.00 H new ATOM 0 HE21 GLN A 23 14.313 10.399 2.011 1.00 0.00 H new ATOM 0 HE22 GLN A 23 15.800 11.195 1.486 1.00 0.00 H new ATOM 209 N ASN A 24 12.810 13.543 7.284 1.00 0.00 N ATOM 210 CA ASN A 24 12.655 14.426 8.434 1.00 0.00 C ATOM 211 C ASN A 24 12.319 15.845 7.996 1.00 0.00 C ATOM 212 O ASN A 24 12.687 16.814 8.662 1.00 0.00 O ATOM 213 CB ASN A 24 13.898 14.425 9.305 1.00 0.00 C ATOM 214 CG ASN A 24 14.143 13.120 10.010 1.00 0.00 C ATOM 215 OD1 ASN A 24 13.294 12.630 10.764 1.00 0.00 O ATOM 216 ND2 ASN A 24 15.329 12.596 9.834 1.00 0.00 N ATOM 0 H ASN A 24 12.119 12.794 7.233 1.00 0.00 H new ATOM 0 HA ASN A 24 11.824 14.042 9.026 1.00 0.00 H new ATOM 0 HB2 ASN A 24 14.764 14.662 8.687 1.00 0.00 H new ATOM 0 HB3 ASN A 24 13.811 15.218 10.048 1.00 0.00 H new ATOM 0 HD21 ASN A 24 15.589 11.744 10.331 1.00 0.00 H new ATOM 0 HD22 ASN A 24 15.994 13.040 9.200 1.00 0.00 H new ATOM 223 N ARG A 25 11.620 15.963 6.874 1.00 0.00 N ATOM 224 CA ARG A 25 11.282 17.267 6.313 1.00 0.00 C ATOM 225 C ARG A 25 9.841 17.299 5.823 1.00 0.00 C ATOM 226 O ARG A 25 9.299 16.283 5.389 1.00 0.00 O ATOM 227 CB ARG A 25 12.253 17.689 5.220 1.00 0.00 C ATOM 228 CG ARG A 25 13.686 17.898 5.682 1.00 0.00 C ATOM 229 CD ARG A 25 13.882 19.088 6.550 1.00 0.00 C ATOM 230 NE ARG A 25 15.268 19.360 6.895 1.00 0.00 N ATOM 231 CZ ARG A 25 15.920 18.804 7.935 1.00 0.00 C ATOM 232 NH1 ARG A 25 15.310 17.976 8.753 1.00 0.00 N ATOM 233 NH2 ARG A 25 17.187 19.131 8.124 1.00 0.00 N ATOM 0 H ARG A 25 11.275 15.170 6.333 1.00 0.00 H new ATOM 0 HA ARG A 25 11.376 17.997 7.117 1.00 0.00 H new ATOM 0 HB2 ARG A 25 12.246 16.932 4.436 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.893 18.615 4.772 1.00 0.00 H new ATOM 0 HG2 ARG A 25 14.014 17.010 6.223 1.00 0.00 H new ATOM 0 HG3 ARG A 25 14.328 17.992 4.806 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.468 19.962 6.047 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.312 18.950 7.469 1.00 0.00 H new ATOM 0 HE ARG A 25 15.783 20.017 6.309 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.327 17.745 8.606 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.819 17.564 9.535 1.00 0.00 H new ATOM 0 HH21 ARG A 25 17.644 19.788 7.491 1.00 0.00 H new ATOM 0 HH22 ARG A 25 17.707 18.727 8.903 1.00 0.00 H new ATOM 247 N PRO A 26 9.224 18.474 5.894 1.00 0.00 N ATOM 248 CA PRO A 26 7.854 18.650 5.426 1.00 0.00 C ATOM 249 C PRO A 26 7.787 18.644 3.904 1.00 0.00 C ATOM 250 O PRO A 26 8.629 19.241 3.234 1.00 0.00 O ATOM 251 CB PRO A 26 7.427 19.997 6.017 1.00 0.00 C ATOM 252 CG PRO A 26 8.697 20.767 6.142 1.00 0.00 C ATOM 253 CD PRO A 26 9.750 19.747 6.484 1.00 0.00 C ATOM 0 HA PRO A 26 7.193 17.841 5.739 1.00 0.00 H new ATOM 0 HB2 PRO A 26 6.715 20.508 5.368 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.942 19.870 6.985 1.00 0.00 H new ATOM 0 HG2 PRO A 26 8.937 21.283 5.212 1.00 0.00 H new ATOM 0 HG3 PRO A 26 8.620 21.528 6.918 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.718 20.014 6.059 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.888 19.661 7.562 1.00 0.00 H new ATOM 261 N TYR A 27 6.779 17.967 3.365 1.00 0.00 N ATOM 262 CA TYR A 27 6.555 17.947 1.924 1.00 0.00 C ATOM 263 C TYR A 27 5.083 18.158 1.593 1.00 0.00 C ATOM 264 O TYR A 27 4.202 17.627 2.270 1.00 0.00 O ATOM 265 CB TYR A 27 7.043 16.626 1.325 1.00 0.00 C ATOM 266 CG TYR A 27 8.539 16.423 1.422 1.00 0.00 C ATOM 267 CD1 TYR A 27 9.390 16.950 0.462 1.00 0.00 C ATOM 268 CD2 TYR A 27 9.094 15.707 2.471 1.00 0.00 C ATOM 269 CE1 TYR A 27 10.757 16.768 0.545 1.00 0.00 C ATOM 270 CE2 TYR A 27 10.460 15.520 2.564 1.00 0.00 C ATOM 271 CZ TYR A 27 11.289 16.053 1.599 1.00 0.00 C ATOM 272 OH TYR A 27 12.650 15.868 1.685 1.00 0.00 O ATOM 0 H TYR A 27 6.104 17.425 3.904 1.00 0.00 H new ATOM 0 HA TYR A 27 7.124 18.767 1.486 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.541 15.802 1.831 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.748 16.583 0.277 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.978 17.511 -0.363 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.448 15.288 3.228 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.406 17.183 -0.211 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.876 14.959 3.388 1.00 0.00 H new ATOM 0 HH TYR A 27 12.981 16.259 2.520 1.00 0.00 H new ATOM 282 N SER A 28 4.823 18.938 0.549 1.00 0.00 N ATOM 283 CA SER A 28 3.458 19.184 0.098 1.00 0.00 C ATOM 284 C SER A 28 2.849 17.933 -0.522 1.00 0.00 C ATOM 285 O SER A 28 3.555 16.969 -0.817 1.00 0.00 O ATOM 286 CB SER A 28 3.435 20.331 -0.893 1.00 0.00 C ATOM 287 OG SER A 28 3.944 19.956 -2.143 1.00 0.00 O ATOM 0 H SER A 28 5.540 19.411 -0.001 1.00 0.00 H new ATOM 0 HA SER A 28 2.856 19.454 0.966 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.412 20.688 -1.011 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.019 21.162 -0.499 1.00 0.00 H new ATOM 0 HG SER A 28 3.911 20.722 -2.753 1.00 0.00 H new ATOM 293 N ALA A 29 1.535 17.957 -0.720 1.00 0.00 N ATOM 294 CA ALA A 29 0.845 16.875 -1.412 1.00 0.00 C ATOM 295 C ALA A 29 1.459 16.618 -2.782 1.00 0.00 C ATOM 296 O ALA A 29 1.508 15.479 -3.246 1.00 0.00 O ATOM 297 CB ALA A 29 -0.637 17.192 -1.544 1.00 0.00 C ATOM 0 H ALA A 29 0.926 18.715 -0.411 1.00 0.00 H new ATOM 0 HA ALA A 29 0.958 15.968 -0.818 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.139 16.375 -2.063 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.073 17.314 -0.552 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.763 18.114 -2.112 1.00 0.00 H new ATOM 303 N GLN A 30 1.929 17.682 -3.424 1.00 0.00 N ATOM 304 CA GLN A 30 2.549 17.572 -4.738 1.00 0.00 C ATOM 305 C GLN A 30 3.993 17.100 -4.628 1.00 0.00 C ATOM 306 O GLN A 30 4.476 16.344 -5.472 1.00 0.00 O ATOM 307 CB GLN A 30 2.500 18.915 -5.470 1.00 0.00 C ATOM 308 CG GLN A 30 1.104 19.348 -5.883 1.00 0.00 C ATOM 309 CD GLN A 30 1.099 20.692 -6.588 1.00 0.00 C ATOM 310 OE1 GLN A 30 2.134 21.355 -6.698 1.00 0.00 O ATOM 311 NE2 GLN A 30 -0.069 21.103 -7.067 1.00 0.00 N ATOM 0 H GLN A 30 1.892 18.632 -3.054 1.00 0.00 H new ATOM 0 HA GLN A 30 1.985 16.833 -5.308 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.931 19.682 -4.827 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.128 18.855 -6.359 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.673 18.594 -6.541 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.467 19.402 -5.000 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.900 20.522 -6.953 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.136 22.000 -7.549 1.00 0.00 H new ATOM 320 N ASP A 31 4.679 17.549 -3.582 1.00 0.00 N ATOM 321 CA ASP A 31 6.057 17.141 -3.337 1.00 0.00 C ATOM 322 C ASP A 31 6.162 15.632 -3.160 1.00 0.00 C ATOM 323 O ASP A 31 7.002 14.981 -3.781 1.00 0.00 O ATOM 324 CB ASP A 31 6.617 17.856 -2.105 1.00 0.00 C ATOM 325 CG ASP A 31 6.863 19.346 -2.300 1.00 0.00 C ATOM 326 OD1 ASP A 31 6.914 19.777 -3.426 1.00 0.00 O ATOM 327 OD2 ASP A 31 6.841 20.062 -1.327 1.00 0.00 O ATOM 0 H ASP A 31 4.302 18.196 -2.890 1.00 0.00 H new ATOM 0 HA ASP A 31 6.648 17.423 -4.209 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.924 17.720 -1.275 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.555 17.380 -1.819 1.00 0.00 H new ATOM 332 N VAL A 32 5.304 15.080 -2.308 1.00 0.00 N ATOM 333 CA VAL A 32 5.354 13.661 -1.982 1.00 0.00 C ATOM 334 C VAL A 32 5.098 12.802 -3.214 1.00 0.00 C ATOM 335 O VAL A 32 5.810 11.830 -3.465 1.00 0.00 O ATOM 336 CB VAL A 32 4.330 13.294 -0.891 1.00 0.00 C ATOM 337 CG1 VAL A 32 4.270 11.786 -0.702 1.00 0.00 C ATOM 338 CG2 VAL A 32 4.680 13.981 0.419 1.00 0.00 C ATOM 0 H VAL A 32 4.565 15.596 -1.831 1.00 0.00 H new ATOM 0 HA VAL A 32 6.358 13.462 -1.607 1.00 0.00 H new ATOM 0 HB VAL A 32 3.347 13.640 -1.210 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.542 11.545 0.072 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.974 11.313 -1.638 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.252 11.417 -0.404 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.947 13.711 1.179 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.671 13.664 0.743 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.673 15.062 0.276 1.00 0.00 H new ATOM 348 N PHE A 33 4.076 13.167 -3.981 1.00 0.00 N ATOM 349 CA PHE A 33 3.753 12.461 -5.216 1.00 0.00 C ATOM 350 C PHE A 33 4.903 12.542 -6.212 1.00 0.00 C ATOM 351 O PHE A 33 5.400 11.520 -6.685 1.00 0.00 O ATOM 352 CB PHE A 33 2.476 13.030 -5.838 1.00 0.00 C ATOM 353 CG PHE A 33 2.257 12.605 -7.262 1.00 0.00 C ATOM 354 CD1 PHE A 33 2.123 11.263 -7.588 1.00 0.00 C ATOM 355 CD2 PHE A 33 2.182 13.546 -8.278 1.00 0.00 C ATOM 356 CE1 PHE A 33 1.921 10.872 -8.898 1.00 0.00 C ATOM 357 CE2 PHE A 33 1.979 13.157 -9.588 1.00 0.00 C ATOM 358 CZ PHE A 33 1.848 11.819 -9.898 1.00 0.00 C ATOM 0 H PHE A 33 3.456 13.949 -3.769 1.00 0.00 H new ATOM 0 HA PHE A 33 3.589 11.412 -4.969 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.620 12.718 -5.239 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.515 14.118 -5.795 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.177 10.516 -6.810 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.283 14.595 -8.042 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.820 9.824 -9.139 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.923 13.900 -10.369 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.689 11.514 -10.922 1.00 0.00 H new ATOM 368 N GLY A 34 5.321 13.763 -6.527 1.00 0.00 N ATOM 369 CA GLY A 34 6.339 13.984 -7.549 1.00 0.00 C ATOM 370 C GLY A 34 7.603 13.189 -7.247 1.00 0.00 C ATOM 371 O GLY A 34 8.212 12.610 -8.146 1.00 0.00 O ATOM 0 H GLY A 34 4.971 14.615 -6.090 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.948 13.694 -8.524 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.578 15.046 -7.604 1.00 0.00 H new ATOM 375 N ASN A 35 7.992 13.165 -5.977 1.00 0.00 N ATOM 376 CA ASN A 35 9.221 12.498 -5.565 1.00 0.00 C ATOM 377 C ASN A 35 9.070 10.983 -5.620 1.00 0.00 C ATOM 378 O ASN A 35 9.976 10.275 -6.062 1.00 0.00 O ATOM 379 CB ASN A 35 9.649 12.931 -4.174 1.00 0.00 C ATOM 380 CG ASN A 35 10.170 14.341 -4.114 1.00 0.00 C ATOM 381 OD1 ASN A 35 10.546 14.929 -5.135 1.00 0.00 O ATOM 382 ND2 ASN A 35 10.272 14.853 -2.916 1.00 0.00 N ATOM 0 H ASN A 35 7.473 13.600 -5.214 1.00 0.00 H new ATOM 0 HA ASN A 35 9.999 12.794 -6.269 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.800 12.837 -3.497 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.421 12.252 -3.813 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.678 15.780 -2.791 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.946 14.325 -2.106 1.00 0.00 H new ATOM 389 N LEU A 36 7.922 10.490 -5.169 1.00 0.00 N ATOM 390 CA LEU A 36 7.677 9.054 -5.102 1.00 0.00 C ATOM 391 C LEU A 36 7.112 8.530 -6.417 1.00 0.00 C ATOM 392 O LEU A 36 6.915 7.326 -6.582 1.00 0.00 O ATOM 393 CB LEU A 36 6.723 8.732 -3.945 1.00 0.00 C ATOM 394 CG LEU A 36 7.236 9.115 -2.550 1.00 0.00 C ATOM 395 CD1 LEU A 36 6.180 8.798 -1.501 1.00 0.00 C ATOM 396 CD2 LEU A 36 8.528 8.365 -2.260 1.00 0.00 C ATOM 0 H LEU A 36 7.145 11.065 -4.844 1.00 0.00 H new ATOM 0 HA LEU A 36 8.630 8.556 -4.924 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.778 9.246 -4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.512 7.663 -3.956 1.00 0.00 H new ATOM 0 HG LEU A 36 7.438 10.186 -2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.553 9.073 -0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.273 9.362 -1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.957 7.731 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.892 8.637 -1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.342 7.292 -2.296 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.277 8.628 -3.007 1.00 0.00 H new ATOM 408 N GLN A 37 6.853 9.440 -7.348 1.00 0.00 N ATOM 409 CA GLN A 37 6.449 9.063 -8.698 1.00 0.00 C ATOM 410 C GLN A 37 7.615 8.466 -9.475 1.00 0.00 C ATOM 411 O GLN A 37 7.445 7.508 -10.229 1.00 0.00 O ATOM 412 CB GLN A 37 5.894 10.276 -9.450 1.00 0.00 C ATOM 413 CG GLN A 37 5.419 9.969 -10.860 1.00 0.00 C ATOM 414 CD GLN A 37 4.939 11.208 -11.592 1.00 0.00 C ATOM 415 OE1 GLN A 37 5.095 12.332 -11.106 1.00 0.00 O ATOM 416 NE2 GLN A 37 4.349 11.010 -12.764 1.00 0.00 N ATOM 0 H GLN A 37 6.916 10.446 -7.193 1.00 0.00 H new ATOM 0 HA GLN A 37 5.668 8.307 -8.611 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.063 10.693 -8.881 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.666 11.044 -9.498 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.232 9.510 -11.422 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.610 9.240 -10.817 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.241 10.063 -13.127 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.003 11.805 -13.302 1.00 0.00 H new ATOM 425 N LYS A 38 8.800 9.036 -9.284 1.00 0.00 N ATOM 426 CA LYS A 38 9.995 8.569 -9.977 1.00 0.00 C ATOM 427 C LYS A 38 10.787 7.597 -9.112 1.00 0.00 C ATOM 428 O LYS A 38 11.562 6.787 -9.621 1.00 0.00 O ATOM 429 CB LYS A 38 10.876 9.751 -10.383 1.00 0.00 C ATOM 430 CG LYS A 38 10.234 10.698 -11.389 1.00 0.00 C ATOM 431 CD LYS A 38 11.181 11.827 -11.768 1.00 0.00 C ATOM 432 CE LYS A 38 10.545 12.767 -12.780 1.00 0.00 C ATOM 433 NZ LYS A 38 11.448 13.894 -13.137 1.00 0.00 N ATOM 0 H LYS A 38 8.959 9.823 -8.654 1.00 0.00 H new ATOM 0 HA LYS A 38 9.675 8.043 -10.876 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.141 10.315 -9.489 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.805 9.368 -10.805 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.949 10.144 -12.283 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.319 11.114 -10.967 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.460 12.386 -10.875 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.099 11.410 -12.183 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.287 12.210 -13.681 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.615 13.163 -12.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.976 14.511 -13.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.674 14.442 -12.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.326 13.518 -13.550 1.00 0.00 H new ATOM 447 N GLU A 39 10.589 7.684 -7.801 1.00 0.00 N ATOM 448 CA GLU A 39 11.336 6.859 -6.857 1.00 0.00 C ATOM 449 C GLU A 39 10.753 5.454 -6.772 1.00 0.00 C ATOM 450 O GLU A 39 11.477 4.464 -6.879 1.00 0.00 O ATOM 451 CB GLU A 39 11.348 7.508 -5.472 1.00 0.00 C ATOM 452 CG GLU A 39 12.304 6.859 -4.482 1.00 0.00 C ATOM 453 CD GLU A 39 13.719 6.893 -4.987 1.00 0.00 C ATOM 454 OE1 GLU A 39 14.155 7.936 -5.409 1.00 0.00 O ATOM 455 OE2 GLU A 39 14.402 5.905 -4.848 1.00 0.00 O ATOM 0 H GLU A 39 9.917 8.318 -7.367 1.00 0.00 H new ATOM 0 HA GLU A 39 12.361 6.781 -7.220 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.614 8.560 -5.579 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.340 7.475 -5.060 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.245 7.376 -3.524 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.003 5.826 -4.306 1.00 0.00 H new ATOM 462 N HIS A 40 9.440 5.374 -6.581 1.00 0.00 N ATOM 463 CA HIS A 40 8.772 4.094 -6.384 1.00 0.00 C ATOM 464 C HIS A 40 7.778 3.815 -7.504 1.00 0.00 C ATOM 465 O HIS A 40 7.596 2.667 -7.914 1.00 0.00 O ATOM 466 CB HIS A 40 8.058 4.058 -5.029 1.00 0.00 C ATOM 467 CG HIS A 40 8.990 4.049 -3.858 1.00 0.00 C ATOM 468 ND1 HIS A 40 9.483 5.206 -3.290 1.00 0.00 N ATOM 469 CD2 HIS A 40 9.521 3.026 -3.149 1.00 0.00 C ATOM 470 CE1 HIS A 40 10.275 4.893 -2.281 1.00 0.00 C ATOM 471 NE2 HIS A 40 10.316 3.578 -2.175 1.00 0.00 N ATOM 0 H HIS A 40 8.818 6.182 -6.559 1.00 0.00 H new ATOM 0 HA HIS A 40 9.536 3.317 -6.400 1.00 0.00 H new ATOM 0 HB2 HIS A 40 7.400 4.924 -4.952 1.00 0.00 H new ATOM 0 HB3 HIS A 40 7.425 3.172 -4.985 1.00 0.00 H new ATOM 0 HD2 HIS A 40 9.351 1.973 -3.318 1.00 0.00 H new ATOM 0 HE1 HIS A 40 10.800 5.594 -1.649 1.00 0.00 H new ATOM 0 HE2 HIS A 40 10.852 3.056 -1.481 1.00 0.00 H new ATOM 479 N GLY A 41 7.136 4.868 -7.996 1.00 0.00 N ATOM 480 CA GLY A 41 6.188 4.743 -9.096 1.00 0.00 C ATOM 481 C GLY A 41 4.751 4.826 -8.596 1.00 0.00 C ATOM 482 O GLY A 41 3.846 4.229 -9.179 1.00 0.00 O ATOM 0 H GLY A 41 7.255 5.820 -7.649 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.368 5.532 -9.826 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.344 3.793 -9.608 1.00 0.00 H new ATOM 486 N LEU A 42 4.548 5.568 -7.513 1.00 0.00 N ATOM 487 CA LEU A 42 3.223 5.713 -6.921 1.00 0.00 C ATOM 488 C LEU A 42 2.359 6.669 -7.733 1.00 0.00 C ATOM 489 O LEU A 42 2.844 7.679 -8.245 1.00 0.00 O ATOM 490 CB LEU A 42 3.341 6.201 -5.472 1.00 0.00 C ATOM 491 CG LEU A 42 4.046 5.234 -4.512 1.00 0.00 C ATOM 492 CD1 LEU A 42 4.128 5.846 -3.120 1.00 0.00 C ATOM 493 CD2 LEU A 42 3.292 3.914 -4.477 1.00 0.00 C ATOM 0 H LEU A 42 5.285 6.079 -7.027 1.00 0.00 H new ATOM 0 HA LEU A 42 2.740 4.736 -6.928 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.879 7.149 -5.467 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.340 6.401 -5.090 1.00 0.00 H new ATOM 0 HG LEU A 42 5.061 5.049 -4.863 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.630 5.152 -2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.690 6.779 -3.165 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.122 6.046 -2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.793 3.227 -3.795 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.272 4.087 -4.134 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.270 3.481 -5.477 1.00 0.00 H new ATOM 505 N GLY A 43 1.076 6.345 -7.849 1.00 0.00 N ATOM 506 CA GLY A 43 0.142 7.172 -8.606 1.00 0.00 C ATOM 507 C GLY A 43 -0.331 8.363 -7.782 1.00 0.00 C ATOM 508 O GLY A 43 -0.160 8.394 -6.563 1.00 0.00 O ATOM 0 H GLY A 43 0.658 5.515 -7.428 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.622 7.525 -9.519 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.716 6.572 -8.909 1.00 0.00 H new ATOM 512 N LYS A 44 -0.925 9.342 -8.455 1.00 0.00 N ATOM 513 CA LYS A 44 -1.353 10.572 -7.800 1.00 0.00 C ATOM 514 C LYS A 44 -2.457 10.300 -6.786 1.00 0.00 C ATOM 515 O LYS A 44 -2.381 10.741 -5.639 1.00 0.00 O ATOM 516 CB LYS A 44 -1.829 11.592 -8.835 1.00 0.00 C ATOM 517 CG LYS A 44 -2.206 12.949 -8.254 1.00 0.00 C ATOM 518 CD LYS A 44 -2.540 13.947 -9.351 1.00 0.00 C ATOM 519 CE LYS A 44 -2.941 15.296 -8.771 1.00 0.00 C ATOM 520 NZ LYS A 44 -3.294 16.277 -9.834 1.00 0.00 N ATOM 0 H LYS A 44 -1.121 9.307 -9.455 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.495 10.983 -7.268 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.042 11.734 -9.576 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.692 11.183 -9.360 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.062 12.837 -7.589 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.382 13.330 -7.651 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.678 14.073 -10.006 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.352 13.557 -9.965 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.791 15.165 -8.102 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.121 15.691 -8.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.561 17.182 -9.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.475 16.422 -10.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.093 15.913 -10.391 1.00 0.00 H new ATOM 534 N ALA A 45 -3.482 9.573 -7.215 1.00 0.00 N ATOM 535 CA ALA A 45 -4.584 9.206 -6.333 1.00 0.00 C ATOM 536 C ALA A 45 -4.105 8.316 -5.195 1.00 0.00 C ATOM 537 O ALA A 45 -4.584 8.424 -4.066 1.00 0.00 O ATOM 538 CB ALA A 45 -5.686 8.515 -7.123 1.00 0.00 C ATOM 0 H ALA A 45 -3.573 9.225 -8.170 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.986 10.120 -5.896 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.502 8.247 -6.452 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.058 9.189 -7.895 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.289 7.613 -7.589 1.00 0.00 H new ATOM 544 N ALA A 46 -3.157 7.435 -5.497 1.00 0.00 N ATOM 545 CA ALA A 46 -2.598 6.536 -4.494 1.00 0.00 C ATOM 546 C ALA A 46 -1.894 7.313 -3.389 1.00 0.00 C ATOM 547 O ALA A 46 -2.071 7.024 -2.205 1.00 0.00 O ATOM 548 CB ALA A 46 -1.640 5.547 -5.144 1.00 0.00 C ATOM 0 H ALA A 46 -2.759 7.324 -6.430 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.421 5.982 -4.042 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.231 4.883 -4.383 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.175 4.959 -5.889 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.827 6.091 -5.626 1.00 0.00 H new ATOM 554 N VAL A 47 -1.096 8.300 -3.781 1.00 0.00 N ATOM 555 CA VAL A 47 -0.343 9.103 -2.826 1.00 0.00 C ATOM 556 C VAL A 47 -1.269 9.981 -1.993 1.00 0.00 C ATOM 557 O VAL A 47 -1.155 10.034 -0.769 1.00 0.00 O ATOM 558 CB VAL A 47 0.697 9.994 -3.531 1.00 0.00 C ATOM 559 CG1 VAL A 47 1.278 11.007 -2.556 1.00 0.00 C ATOM 560 CG2 VAL A 47 1.803 9.144 -4.138 1.00 0.00 C ATOM 0 H VAL A 47 -0.954 8.563 -4.756 1.00 0.00 H new ATOM 0 HA VAL A 47 0.177 8.404 -2.170 1.00 0.00 H new ATOM 0 HB VAL A 47 0.199 10.536 -4.335 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.011 11.628 -3.071 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.478 11.637 -2.166 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.762 10.483 -1.732 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.529 9.790 -4.632 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.299 8.576 -3.351 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.375 8.456 -4.867 1.00 0.00 H new ATOM 570 N VAL A 48 -2.186 10.669 -2.665 1.00 0.00 N ATOM 571 CA VAL A 48 -3.088 11.599 -1.997 1.00 0.00 C ATOM 572 C VAL A 48 -3.977 10.877 -0.993 1.00 0.00 C ATOM 573 O VAL A 48 -4.172 11.346 0.129 1.00 0.00 O ATOM 574 CB VAL A 48 -3.975 12.350 -3.007 1.00 0.00 C ATOM 575 CG1 VAL A 48 -5.063 13.129 -2.283 1.00 0.00 C ATOM 576 CG2 VAL A 48 -3.134 13.284 -3.864 1.00 0.00 C ATOM 0 H VAL A 48 -2.324 10.600 -3.673 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.463 12.321 -1.471 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.450 11.617 -3.659 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.681 13.654 -3.012 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.684 12.440 -1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.605 13.852 -1.608 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.777 13.806 -4.572 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.632 14.011 -3.225 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.389 12.705 -4.410 1.00 0.00 H new ATOM 586 N LYS A 49 -4.515 9.734 -1.402 1.00 0.00 N ATOM 587 CA LYS A 49 -5.360 8.928 -0.528 1.00 0.00 C ATOM 588 C LYS A 49 -4.552 8.322 0.613 1.00 0.00 C ATOM 589 O LYS A 49 -5.039 8.206 1.738 1.00 0.00 O ATOM 590 CB LYS A 49 -6.055 7.822 -1.325 1.00 0.00 C ATOM 591 CG LYS A 49 -7.143 8.316 -2.267 1.00 0.00 C ATOM 592 CD LYS A 49 -7.768 7.165 -3.042 1.00 0.00 C ATOM 593 CE LYS A 49 -8.838 7.661 -4.004 1.00 0.00 C ATOM 594 NZ LYS A 49 -9.467 6.544 -4.761 1.00 0.00 N ATOM 0 H LYS A 49 -4.381 9.344 -2.335 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.117 9.584 -0.099 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.306 7.283 -1.905 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.492 7.108 -0.627 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.914 8.834 -1.696 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.722 9.040 -2.964 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.994 6.635 -3.598 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.206 6.450 -2.345 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.605 8.199 -3.447 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.396 8.370 -4.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.190 6.925 -5.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.740 6.046 -5.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.911 5.880 -4.095 1.00 0.00 H new ATOM 608 N ALA A 50 -3.315 7.938 0.318 1.00 0.00 N ATOM 609 CA ALA A 50 -2.423 7.383 1.327 1.00 0.00 C ATOM 610 C ALA A 50 -2.024 8.437 2.351 1.00 0.00 C ATOM 611 O ALA A 50 -1.857 8.137 3.533 1.00 0.00 O ATOM 612 CB ALA A 50 -1.189 6.782 0.671 1.00 0.00 C ATOM 0 H ALA A 50 -2.907 8.002 -0.615 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.960 6.593 1.853 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.532 6.372 1.438 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.490 5.988 -0.012 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.659 7.556 0.116 1.00 0.00 H new ATOM 618 N LEU A 51 -1.872 9.674 1.890 1.00 0.00 N ATOM 619 CA LEU A 51 -1.552 10.788 2.775 1.00 0.00 C ATOM 620 C LEU A 51 -2.668 11.028 3.784 1.00 0.00 C ATOM 621 O LEU A 51 -2.413 11.214 4.973 1.00 0.00 O ATOM 622 CB LEU A 51 -1.291 12.058 1.956 1.00 0.00 C ATOM 623 CG LEU A 51 0.054 12.092 1.216 1.00 0.00 C ATOM 624 CD1 LEU A 51 0.072 13.244 0.220 1.00 0.00 C ATOM 625 CD2 LEU A 51 1.185 12.232 2.224 1.00 0.00 C ATOM 0 H LEU A 51 -1.965 9.931 0.907 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.648 10.532 3.328 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.092 12.172 1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.343 12.919 2.623 1.00 0.00 H new ATOM 0 HG LEU A 51 0.190 11.162 0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.030 13.260 -0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.732 13.112 -0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.069 14.186 0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.140 12.256 1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.058 13.156 2.788 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.169 11.384 2.909 1.00 0.00 H new ATOM 637 N ASP A 52 -3.906 11.023 3.301 1.00 0.00 N ATOM 638 CA ASP A 52 -5.067 11.182 4.168 1.00 0.00 C ATOM 639 C ASP A 52 -5.280 9.949 5.035 1.00 0.00 C ATOM 640 O ASP A 52 -5.745 10.049 6.171 1.00 0.00 O ATOM 641 CB ASP A 52 -6.323 11.464 3.337 1.00 0.00 C ATOM 642 CG ASP A 52 -6.392 12.871 2.760 1.00 0.00 C ATOM 643 OD1 ASP A 52 -5.638 13.709 3.195 1.00 0.00 O ATOM 644 OD2 ASP A 52 -7.084 13.059 1.788 1.00 0.00 O ATOM 0 H ASP A 52 -4.131 10.910 2.312 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.878 12.032 4.824 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.371 10.746 2.518 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.201 11.296 3.960 1.00 0.00 H new ATOM 649 N GLN A 53 -4.935 8.785 4.495 1.00 0.00 N ATOM 650 CA GLN A 53 -5.015 7.537 5.246 1.00 0.00 C ATOM 651 C GLN A 53 -4.064 7.550 6.436 1.00 0.00 C ATOM 652 O GLN A 53 -4.433 7.152 7.541 1.00 0.00 O ATOM 653 CB GLN A 53 -4.694 6.346 4.340 1.00 0.00 C ATOM 654 CG GLN A 53 -4.808 4.995 5.026 1.00 0.00 C ATOM 655 CD GLN A 53 -6.223 4.697 5.486 1.00 0.00 C ATOM 656 OE1 GLN A 53 -7.197 5.065 4.821 1.00 0.00 O ATOM 657 NE2 GLN A 53 -6.346 4.030 6.628 1.00 0.00 N ATOM 0 H GLN A 53 -4.597 8.680 3.539 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.034 7.439 5.619 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.367 6.364 3.483 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.681 6.460 3.953 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.480 4.214 4.341 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.137 4.969 5.884 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.514 3.746 7.145 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.273 3.802 6.988 1.00 0.00 H new ATOM 666 N LEU A 54 -2.839 8.008 6.204 1.00 0.00 N ATOM 667 CA LEU A 54 -1.845 8.111 7.266 1.00 0.00 C ATOM 668 C LEU A 54 -2.272 9.120 8.324 1.00 0.00 C ATOM 669 O LEU A 54 -2.159 8.864 9.522 1.00 0.00 O ATOM 670 CB LEU A 54 -0.482 8.495 6.680 1.00 0.00 C ATOM 671 CG LEU A 54 0.195 7.409 5.834 1.00 0.00 C ATOM 672 CD1 LEU A 54 1.395 7.992 5.100 1.00 0.00 C ATOM 673 CD2 LEU A 54 0.620 6.256 6.731 1.00 0.00 C ATOM 0 H LEU A 54 -2.510 8.314 5.288 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.761 7.137 7.747 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.607 9.387 6.065 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.185 8.763 7.499 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.510 7.034 5.092 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.869 7.214 4.502 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.065 8.800 4.447 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.111 8.380 5.824 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.101 5.485 6.129 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.321 6.619 7.483 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.257 5.837 7.225 1.00 0.00 H new ATOM 685 N ALA A 55 -2.762 10.270 7.873 1.00 0.00 N ATOM 686 CA ALA A 55 -3.218 11.317 8.780 1.00 0.00 C ATOM 687 C ALA A 55 -4.414 10.852 9.601 1.00 0.00 C ATOM 688 O ALA A 55 -4.560 11.221 10.766 1.00 0.00 O ATOM 689 CB ALA A 55 -3.563 12.579 8.002 1.00 0.00 C ATOM 0 H ALA A 55 -2.854 10.501 6.884 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.405 11.543 9.471 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.902 13.351 8.693 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.680 12.931 7.469 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.355 12.360 7.286 1.00 0.00 H new ATOM 695 N GLN A 56 -5.267 10.040 8.987 1.00 0.00 N ATOM 696 CA GLN A 56 -6.425 9.482 9.675 1.00 0.00 C ATOM 697 C GLN A 56 -6.001 8.489 10.750 1.00 0.00 C ATOM 698 O GLN A 56 -6.591 8.437 11.828 1.00 0.00 O ATOM 699 CB GLN A 56 -7.363 8.796 8.679 1.00 0.00 C ATOM 700 CG GLN A 56 -8.651 8.276 9.292 1.00 0.00 C ATOM 701 CD GLN A 56 -9.507 9.388 9.869 1.00 0.00 C ATOM 702 OE1 GLN A 56 -9.708 10.427 9.234 1.00 0.00 O ATOM 703 NE2 GLN A 56 -10.014 9.177 11.078 1.00 0.00 N ATOM 0 H GLN A 56 -5.178 9.753 8.012 1.00 0.00 H new ATOM 0 HA GLN A 56 -6.953 10.306 10.154 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -7.611 9.501 7.886 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.834 7.965 8.213 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -9.220 7.739 8.533 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.413 7.559 10.078 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.821 8.302 11.566 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -10.596 9.889 11.518 1.00 0.00 H new ATOM 712 N GLU A 57 -4.973 7.703 10.448 1.00 0.00 N ATOM 713 CA GLU A 57 -4.462 6.716 11.392 1.00 0.00 C ATOM 714 C GLU A 57 -3.611 7.374 12.470 1.00 0.00 C ATOM 715 O GLU A 57 -3.405 6.807 13.543 1.00 0.00 O ATOM 716 CB GLU A 57 -3.647 5.646 10.660 1.00 0.00 C ATOM 717 CG GLU A 57 -4.469 4.748 9.746 1.00 0.00 C ATOM 718 CD GLU A 57 -3.590 3.796 8.982 1.00 0.00 C ATOM 719 OE1 GLU A 57 -2.420 3.733 9.274 1.00 0.00 O ATOM 720 OE2 GLU A 57 -4.108 3.052 8.184 1.00 0.00 O ATOM 0 H GLU A 57 -4.477 7.730 9.557 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.317 6.242 11.874 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.874 6.136 10.068 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.138 5.026 11.398 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.190 4.185 10.338 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.039 5.360 9.047 1.00 0.00 H new ATOM 727 N GLY A 58 -3.118 8.573 12.179 1.00 0.00 N ATOM 728 CA GLY A 58 -2.307 9.321 13.132 1.00 0.00 C ATOM 729 C GLY A 58 -0.824 9.021 12.948 1.00 0.00 C ATOM 730 O GLY A 58 -0.029 9.176 13.875 1.00 0.00 O ATOM 0 H GLY A 58 -3.266 9.048 11.289 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.483 10.389 13.004 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.609 9.067 14.148 1.00 0.00 H new ATOM 734 N LYS A 59 -0.459 8.590 11.744 1.00 0.00 N ATOM 735 CA LYS A 59 0.932 8.275 11.434 1.00 0.00 C ATOM 736 C LYS A 59 1.710 9.531 11.060 1.00 0.00 C ATOM 737 O LYS A 59 2.912 9.624 11.309 1.00 0.00 O ATOM 738 CB LYS A 59 1.008 7.252 10.300 1.00 0.00 C ATOM 739 CG LYS A 59 0.240 5.964 10.562 1.00 0.00 C ATOM 740 CD LYS A 59 0.828 5.199 11.738 1.00 0.00 C ATOM 741 CE LYS A 59 0.068 3.906 11.994 1.00 0.00 C ATOM 742 NZ LYS A 59 0.642 3.138 13.132 1.00 0.00 N ATOM 0 H LYS A 59 -1.106 8.451 10.968 1.00 0.00 H new ATOM 0 HA LYS A 59 1.385 7.847 12.328 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.625 7.710 9.388 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.054 7.006 10.118 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.806 6.196 10.763 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.262 5.337 9.670 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.876 4.974 11.540 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.799 5.823 12.631 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.977 4.135 12.202 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.087 3.290 11.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.095 2.265 13.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.632 2.897 12.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.601 3.715 13.996 1.00 0.00 H new ATOM 756 N ILE A 60 1.017 10.494 10.462 1.00 0.00 N ATOM 757 CA ILE A 60 1.641 11.751 10.064 1.00 0.00 C ATOM 758 C ILE A 60 0.775 12.942 10.450 1.00 0.00 C ATOM 759 O ILE A 60 -0.405 12.787 10.769 1.00 0.00 O ATOM 760 CB ILE A 60 1.908 11.793 8.548 1.00 0.00 C ATOM 761 CG1 ILE A 60 0.591 11.713 7.771 1.00 0.00 C ATOM 762 CG2 ILE A 60 2.841 10.662 8.140 1.00 0.00 C ATOM 763 CD1 ILE A 60 0.757 11.837 6.274 1.00 0.00 C ATOM 0 H ILE A 60 0.023 10.428 10.242 1.00 0.00 H new ATOM 0 HA ILE A 60 2.592 11.811 10.593 1.00 0.00 H new ATOM 0 HB ILE A 60 2.392 12.740 8.308 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.105 10.764 7.996 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.074 12.503 8.120 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.019 10.707 7.066 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.789 10.763 8.669 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.385 9.705 8.393 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.219 11.771 5.793 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.214 12.798 6.037 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.396 11.032 5.911 1.00 0.00 H new ATOM 775 N LYS A 61 1.366 14.132 10.422 1.00 0.00 N ATOM 776 CA LYS A 61 0.632 15.359 10.706 1.00 0.00 C ATOM 777 C LYS A 61 0.374 16.155 9.433 1.00 0.00 C ATOM 778 O LYS A 61 1.156 16.095 8.483 1.00 0.00 O ATOM 779 CB LYS A 61 1.395 16.217 11.717 1.00 0.00 C ATOM 780 CG LYS A 61 1.497 15.609 13.109 1.00 0.00 C ATOM 781 CD LYS A 61 2.257 16.522 14.058 1.00 0.00 C ATOM 782 CE LYS A 61 2.257 15.971 15.477 1.00 0.00 C ATOM 783 NZ LYS A 61 3.077 16.805 16.398 1.00 0.00 N ATOM 0 H LYS A 61 2.353 14.272 10.205 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.331 15.080 11.133 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.401 16.396 11.337 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.906 17.188 11.793 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.497 15.425 13.502 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.999 14.643 13.050 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.284 16.637 13.711 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.805 17.514 14.051 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.233 15.922 15.847 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.643 14.952 15.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.051 16.395 17.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.060 16.832 16.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.694 17.772 16.425 1.00 0.00 H new ATOM 797 N GLU A 62 -0.725 16.899 9.419 1.00 0.00 N ATOM 798 CA GLU A 62 -1.123 17.657 8.238 1.00 0.00 C ATOM 799 C GLU A 62 -1.309 19.133 8.568 1.00 0.00 C ATOM 800 O GLU A 62 -1.947 19.481 9.561 1.00 0.00 O ATOM 801 CB GLU A 62 -2.411 17.085 7.644 1.00 0.00 C ATOM 802 CG GLU A 62 -2.945 17.853 6.442 1.00 0.00 C ATOM 803 CD GLU A 62 -4.221 17.247 5.929 1.00 0.00 C ATOM 804 OE1 GLU A 62 -4.676 16.289 6.507 1.00 0.00 O ATOM 805 OE2 GLU A 62 -4.801 17.807 5.028 1.00 0.00 O ATOM 0 H GLU A 62 -1.358 16.994 10.213 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.324 17.570 7.501 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.233 16.051 7.349 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.178 17.068 8.419 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.120 18.892 6.720 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.197 17.857 5.649 1.00 0.00 H new ATOM 915 N LYS A 69 -1.973 21.560 0.631 1.00 0.00 N ATOM 916 CA LYS A 69 -1.808 20.725 1.815 1.00 0.00 C ATOM 917 C LYS A 69 -0.360 20.281 1.978 1.00 0.00 C ATOM 918 O LYS A 69 0.312 19.950 1.001 1.00 0.00 O ATOM 919 CB LYS A 69 -2.728 19.505 1.742 1.00 0.00 C ATOM 920 CG LYS A 69 -4.213 19.833 1.804 1.00 0.00 C ATOM 921 CD LYS A 69 -5.062 18.572 1.732 1.00 0.00 C ATOM 922 CE LYS A 69 -6.545 18.895 1.836 1.00 0.00 C ATOM 923 NZ LYS A 69 -7.385 17.667 1.807 1.00 0.00 N ATOM 0 HA LYS A 69 -2.081 21.322 2.685 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.525 18.967 0.816 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.483 18.830 2.562 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.431 20.368 2.728 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.475 20.498 0.981 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.866 18.053 0.794 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.778 17.894 2.537 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.733 19.442 2.760 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.832 19.550 1.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.388 17.931 1.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.225 17.158 0.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.129 17.053 2.606 1.00 0.00 H new ATOM 937 N ILE A 70 0.115 20.274 3.219 1.00 0.00 N ATOM 938 CA ILE A 70 1.474 19.837 3.517 1.00 0.00 C ATOM 939 C ILE A 70 1.478 18.731 4.565 1.00 0.00 C ATOM 940 O ILE A 70 0.809 18.834 5.593 1.00 0.00 O ATOM 941 CB ILE A 70 2.347 21.003 4.012 1.00 0.00 C ATOM 942 CG1 ILE A 70 2.475 22.073 2.924 1.00 0.00 C ATOM 943 CG2 ILE A 70 3.721 20.499 4.430 1.00 0.00 C ATOM 944 CD1 ILE A 70 3.218 23.312 3.370 1.00 0.00 C ATOM 0 H ILE A 70 -0.422 20.566 4.036 1.00 0.00 H new ATOM 0 HA ILE A 70 1.892 19.454 2.586 1.00 0.00 H new ATOM 0 HB ILE A 70 1.866 21.451 4.882 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.988 21.643 2.064 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.478 22.359 2.590 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.326 21.337 4.777 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.612 19.772 5.234 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.210 20.027 3.578 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.268 24.023 2.545 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.695 23.767 4.211 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.228 23.040 3.676 1.00 0.00 H new ATOM 956 N TYR A 71 2.236 17.673 4.298 1.00 0.00 N ATOM 957 CA TYR A 71 2.283 16.520 5.188 1.00 0.00 C ATOM 958 C TYR A 71 3.699 16.267 5.690 1.00 0.00 C ATOM 959 O TYR A 71 4.672 16.479 4.965 1.00 0.00 O ATOM 960 CB TYR A 71 1.748 15.273 4.479 1.00 0.00 C ATOM 961 CG TYR A 71 0.304 15.389 4.043 1.00 0.00 C ATOM 962 CD1 TYR A 71 -0.032 16.002 2.844 1.00 0.00 C ATOM 963 CD2 TYR A 71 -0.719 14.882 4.830 1.00 0.00 C ATOM 964 CE1 TYR A 71 -1.349 16.111 2.441 1.00 0.00 C ATOM 965 CE2 TYR A 71 -2.040 14.985 4.437 1.00 0.00 C ATOM 966 CZ TYR A 71 -2.351 15.600 3.242 1.00 0.00 C ATOM 967 OH TYR A 71 -3.664 15.704 2.845 1.00 0.00 O ATOM 0 H TYR A 71 2.827 17.591 3.471 1.00 0.00 H new ATOM 0 HA TYR A 71 1.650 16.739 6.048 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.366 15.071 3.605 1.00 0.00 H new ATOM 0 HB3 TYR A 71 1.849 14.417 5.146 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.750 16.401 2.215 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.479 14.399 5.766 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.593 16.593 1.506 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.825 14.586 5.062 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.142 14.881 3.078 1.00 0.00 H new ATOM 977 N PHE A 72 3.809 15.813 6.933 1.00 0.00 N ATOM 978 CA PHE A 72 5.096 15.418 7.495 1.00 0.00 C ATOM 979 C PHE A 72 4.919 14.416 8.628 1.00 0.00 C ATOM 980 O PHE A 72 3.909 14.432 9.331 1.00 0.00 O ATOM 981 CB PHE A 72 5.859 16.647 7.992 1.00 0.00 C ATOM 982 CG PHE A 72 5.180 17.365 9.124 1.00 0.00 C ATOM 983 CD1 PHE A 72 4.222 18.337 8.873 1.00 0.00 C ATOM 984 CD2 PHE A 72 5.498 17.072 10.441 1.00 0.00 C ATOM 985 CE1 PHE A 72 3.597 18.999 9.911 1.00 0.00 C ATOM 986 CE2 PHE A 72 4.873 17.732 11.483 1.00 0.00 C ATOM 987 CZ PHE A 72 3.923 18.696 11.218 1.00 0.00 C ATOM 0 H PHE A 72 3.021 15.709 7.572 1.00 0.00 H new ATOM 0 HA PHE A 72 5.673 14.937 6.705 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.854 16.340 8.314 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.992 17.341 7.162 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.962 18.579 7.853 1.00 0.00 H new ATOM 0 HD2 PHE A 72 6.242 16.320 10.656 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.853 19.754 9.701 1.00 0.00 H new ATOM 0 HE2 PHE A 72 5.129 17.493 12.505 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.435 19.213 12.031 1.00 0.00 H new ATOM 997 N ALA A 73 5.907 13.545 8.800 1.00 0.00 N ATOM 998 CA ALA A 73 5.872 12.547 9.862 1.00 0.00 C ATOM 999 C ALA A 73 6.372 13.125 11.179 1.00 0.00 C ATOM 1000 O ALA A 73 7.279 13.959 11.198 1.00 0.00 O ATOM 1001 CB ALA A 73 6.693 11.327 9.469 1.00 0.00 C ATOM 0 H ALA A 73 6.743 13.510 8.217 1.00 0.00 H new ATOM 0 HA ALA A 73 4.835 12.242 10.004 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.657 10.591 10.272 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.283 10.891 8.558 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.727 11.625 9.295 1.00 0.00 H new