USER MOD reduce.3.24.130724 H: found=0, std=0, add=464, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 464 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 Single : A 4 ASN : amide:sc= -2.52! K(o=-2.5!,f=-1.8) USER MOD Single : A 9 ASN : amide:sc= -4.13! C(o=-4.1!,f=-2.6!) USER MOD Single : A 12 SER OG : rot 125:sc= -1.95 USER MOD Single : A 17 HIS : no HD1:sc= -1.73 K(o=-1.7,f=-3.9) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -110:sc= 0.883 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 140:sc= -2.03 (180deg=-3.98!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 169:sc= 0.607 USER MOD ----------------------------------------------------------------- ATOM 32 N GLU A 3 2.567 3.783 7.986 1.00 0.00 N ATOM 33 CA GLU A 3 1.282 4.006 8.642 1.00 0.00 C ATOM 34 C GLU A 3 0.465 5.055 7.893 1.00 0.00 C ATOM 35 O GLU A 3 -0.379 5.731 8.480 1.00 0.00 O ATOM 36 CB GLU A 3 1.494 4.460 10.091 1.00 0.00 C ATOM 37 CG GLU A 3 2.418 5.686 10.134 1.00 0.00 C ATOM 38 CD GLU A 3 3.881 5.257 10.032 1.00 0.00 C ATOM 39 OE1 GLU A 3 4.129 4.062 10.047 1.00 0.00 O ATOM 40 OE2 GLU A 3 4.728 6.128 9.933 1.00 0.00 O ATOM 0 HA GLU A 3 0.734 3.064 8.636 1.00 0.00 H new ATOM 0 HB2 GLU A 3 0.534 4.703 10.548 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.928 3.648 10.674 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.173 6.362 9.315 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.258 6.237 11.061 1.00 0.00 H new ATOM 47 N ASN A 4 0.729 5.197 6.594 1.00 0.00 N ATOM 48 CA ASN A 4 0.018 6.178 5.770 1.00 0.00 C ATOM 49 C ASN A 4 -0.896 5.483 4.765 1.00 0.00 C ATOM 50 O ASN A 4 -2.054 5.863 4.602 1.00 0.00 O ATOM 51 CB ASN A 4 1.023 7.054 5.020 1.00 0.00 C ATOM 52 CG ASN A 4 0.310 8.263 4.424 1.00 0.00 C ATOM 53 OD1 ASN A 4 0.616 9.403 4.778 1.00 0.00 O ATOM 54 ND2 ASN A 4 -0.630 8.085 3.537 1.00 0.00 N ATOM 0 H ASN A 4 1.426 4.649 6.090 1.00 0.00 H new ATOM 0 HA ASN A 4 -0.591 6.798 6.428 1.00 0.00 H new ATOM 0 HB2 ASN A 4 1.810 7.383 5.698 1.00 0.00 H new ATOM 0 HB3 ASN A 4 1.503 6.477 4.230 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -1.112 8.890 3.136 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -0.883 7.141 3.244 1.00 0.00 H new ATOM 61 N LEU A 5 -0.368 4.467 4.089 1.00 0.00 N ATOM 62 CA LEU A 5 -1.154 3.731 3.104 1.00 0.00 C ATOM 63 C LEU A 5 -2.094 2.747 3.793 1.00 0.00 C ATOM 64 O LEU A 5 -3.286 2.689 3.493 1.00 0.00 O ATOM 65 CB LEU A 5 -0.219 2.973 2.157 1.00 0.00 C ATOM 66 CG LEU A 5 0.837 3.932 1.598 1.00 0.00 C ATOM 67 CD1 LEU A 5 1.774 3.168 0.658 1.00 0.00 C ATOM 68 CD2 LEU A 5 0.155 5.076 0.833 1.00 0.00 C ATOM 0 H LEU A 5 0.590 4.137 4.203 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.751 4.443 2.534 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.265 2.153 2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -0.792 2.531 1.341 1.00 0.00 H new ATOM 0 HG LEU A 5 1.413 4.352 2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.525 3.850 0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.267 2.366 1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.198 2.743 -0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.913 5.753 0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.429 4.666 0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.504 5.622 1.507 1.00 0.00 H new ATOM 80 N VAL A 6 -1.539 1.979 4.722 1.00 0.00 N ATOM 81 CA VAL A 6 -2.323 0.993 5.459 1.00 0.00 C ATOM 82 C VAL A 6 -3.390 1.681 6.305 1.00 0.00 C ATOM 83 O VAL A 6 -4.538 1.238 6.354 1.00 0.00 O ATOM 84 CB VAL A 6 -1.412 0.157 6.358 1.00 0.00 C ATOM 85 CG1 VAL A 6 -0.798 1.049 7.438 1.00 0.00 C ATOM 86 CG2 VAL A 6 -2.234 -0.955 7.015 1.00 0.00 C ATOM 0 H VAL A 6 -0.554 2.018 4.983 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.813 0.338 4.739 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.614 -0.284 5.761 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.149 0.451 8.078 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.215 1.841 6.968 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.592 1.492 8.039 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.588 -1.554 7.657 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.031 -0.513 7.613 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.669 -1.591 6.243 1.00 0.00 H new ATOM 96 N VAL A 7 -3.003 2.758 6.981 1.00 0.00 N ATOM 97 CA VAL A 7 -3.942 3.484 7.830 1.00 0.00 C ATOM 98 C VAL A 7 -5.096 4.051 7.003 1.00 0.00 C ATOM 99 O VAL A 7 -6.263 3.870 7.351 1.00 0.00 O ATOM 100 CB VAL A 7 -3.212 4.631 8.545 1.00 0.00 C ATOM 101 CG1 VAL A 7 -4.222 5.559 9.231 1.00 0.00 C ATOM 102 CG2 VAL A 7 -2.270 4.056 9.606 1.00 0.00 C ATOM 0 H VAL A 7 -2.059 3.144 6.959 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.349 2.790 8.565 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.645 5.197 7.806 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.691 6.367 9.734 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.897 5.978 8.484 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.797 4.993 9.963 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.752 4.870 10.113 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.847 3.484 10.333 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.539 3.403 9.128 1.00 0.00 H new ATOM 112 N LEU A 8 -4.772 4.741 5.914 1.00 0.00 N ATOM 113 CA LEU A 8 -5.809 5.327 5.071 1.00 0.00 C ATOM 114 C LEU A 8 -6.638 4.220 4.413 1.00 0.00 C ATOM 115 O LEU A 8 -7.862 4.309 4.332 1.00 0.00 O ATOM 116 CB LEU A 8 -5.170 6.243 4.000 1.00 0.00 C ATOM 117 CG LEU A 8 -6.109 7.429 3.656 1.00 0.00 C ATOM 118 CD1 LEU A 8 -7.491 6.896 3.243 1.00 0.00 C ATOM 119 CD2 LEU A 8 -6.247 8.383 4.873 1.00 0.00 C ATOM 0 H LEU A 8 -3.816 4.907 5.598 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.471 5.933 5.690 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.215 6.623 4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.961 5.666 3.099 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.678 7.988 2.826 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.147 7.733 3.002 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.387 6.254 2.369 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.921 6.323 4.065 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.909 9.209 4.614 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.663 7.836 5.719 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.266 8.775 5.141 1.00 0.00 H new ATOM 131 N ASN A 9 -5.957 3.182 3.933 1.00 0.00 N ATOM 132 CA ASN A 9 -6.639 2.078 3.267 1.00 0.00 C ATOM 133 C ASN A 9 -7.619 1.405 4.222 1.00 0.00 C ATOM 134 O ASN A 9 -8.759 1.119 3.853 1.00 0.00 O ATOM 135 CB ASN A 9 -5.615 1.050 2.782 1.00 0.00 C ATOM 136 CG ASN A 9 -4.784 1.625 1.636 1.00 0.00 C ATOM 137 OD1 ASN A 9 -3.682 1.145 1.372 1.00 0.00 O ATOM 138 ND2 ASN A 9 -5.245 2.629 0.942 1.00 0.00 N ATOM 0 H ASN A 9 -4.944 3.083 3.992 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.189 2.475 2.414 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -4.961 0.763 3.605 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -6.126 0.146 2.451 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -4.692 3.018 0.178 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -6.159 3.025 1.163 1.00 0.00 H new ATOM 145 N ALA A 10 -7.179 1.174 5.455 1.00 0.00 N ATOM 146 CA ALA A 10 -8.044 0.554 6.451 1.00 0.00 C ATOM 147 C ALA A 10 -9.012 1.589 7.010 1.00 0.00 C ATOM 148 O ALA A 10 -10.221 1.507 6.789 1.00 0.00 O ATOM 149 CB ALA A 10 -7.201 -0.042 7.580 1.00 0.00 C ATOM 0 H ALA A 10 -6.241 1.403 5.785 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.614 -0.246 5.979 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.856 -0.503 8.319 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.527 -0.796 7.172 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.618 0.747 8.054 1.00 0.00 H new ATOM 155 N ALA A 11 -8.475 2.551 7.758 1.00 0.00 N ATOM 156 CA ALA A 11 -9.302 3.587 8.369 1.00 0.00 C ATOM 157 C ALA A 11 -10.383 4.069 7.403 1.00 0.00 C ATOM 158 O ALA A 11 -11.436 4.544 7.827 1.00 0.00 O ATOM 159 CB ALA A 11 -8.430 4.770 8.796 1.00 0.00 C ATOM 0 H ALA A 11 -7.477 2.634 7.954 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.788 3.157 9.245 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -9.056 5.538 9.251 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.687 4.432 9.519 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.925 5.184 7.923 1.00 0.00 H new ATOM 165 N SER A 12 -10.127 3.938 6.103 1.00 0.00 N ATOM 166 CA SER A 12 -11.101 4.360 5.100 1.00 0.00 C ATOM 167 C SER A 12 -12.402 3.575 5.253 1.00 0.00 C ATOM 168 O SER A 12 -13.491 4.144 5.178 1.00 0.00 O ATOM 169 CB SER A 12 -10.524 4.144 3.695 1.00 0.00 C ATOM 170 OG SER A 12 -9.760 5.283 3.324 1.00 0.00 O ATOM 0 H SER A 12 -9.264 3.548 5.723 1.00 0.00 H new ATOM 0 HA SER A 12 -11.315 5.419 5.245 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.899 3.251 3.679 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.330 3.982 2.979 1.00 0.00 H new ATOM 0 HG SER A 12 -8.856 5.002 3.072 1.00 0.00 H new ATOM 176 N VAL A 13 -12.284 2.265 5.456 1.00 0.00 N ATOM 177 CA VAL A 13 -13.457 1.406 5.607 1.00 0.00 C ATOM 178 C VAL A 13 -13.781 1.184 7.080 1.00 0.00 C ATOM 179 O VAL A 13 -14.948 1.074 7.456 1.00 0.00 O ATOM 180 CB VAL A 13 -13.201 0.056 4.934 1.00 0.00 C ATOM 181 CG1 VAL A 13 -14.464 -0.803 5.023 1.00 0.00 C ATOM 182 CG2 VAL A 13 -12.840 0.282 3.464 1.00 0.00 C ATOM 0 H VAL A 13 -11.391 1.776 5.520 1.00 0.00 H new ATOM 0 HA VAL A 13 -14.306 1.899 5.133 1.00 0.00 H new ATOM 0 HB VAL A 13 -12.379 -0.453 5.436 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.284 -1.765 4.544 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.723 -0.961 6.070 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -15.286 -0.295 4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -12.657 -0.679 2.982 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -13.663 0.789 2.961 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -11.942 0.897 3.400 1.00 0.00 H new ATOM 192 N ALA A 14 -12.745 1.114 7.909 1.00 0.00 N ATOM 193 CA ALA A 14 -12.943 0.894 9.337 1.00 0.00 C ATOM 194 C ALA A 14 -13.929 1.915 9.897 1.00 0.00 C ATOM 195 O ALA A 14 -14.848 1.561 10.636 1.00 0.00 O ATOM 196 CB ALA A 14 -11.603 1.002 10.077 1.00 0.00 C ATOM 0 H ALA A 14 -11.771 1.205 7.621 1.00 0.00 H new ATOM 0 HA ALA A 14 -13.351 -0.106 9.483 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.761 0.836 11.143 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.913 0.251 9.692 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -11.181 1.995 9.923 1.00 0.00 H new ATOM 202 N GLY A 15 -13.728 3.186 9.546 1.00 0.00 N ATOM 203 CA GLY A 15 -14.599 4.262 10.019 1.00 0.00 C ATOM 204 C GLY A 15 -13.840 5.209 10.943 1.00 0.00 C ATOM 205 O GLY A 15 -14.335 6.282 11.284 1.00 0.00 O ATOM 0 H GLY A 15 -12.971 3.495 8.937 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -14.994 4.817 9.168 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -15.453 3.838 10.547 1.00 0.00 H new ATOM 209 N ALA A 16 -12.639 4.805 11.346 1.00 0.00 N ATOM 210 CA ALA A 16 -11.827 5.629 12.234 1.00 0.00 C ATOM 211 C ALA A 16 -11.523 6.985 11.599 1.00 0.00 C ATOM 212 O ALA A 16 -11.601 8.017 12.261 1.00 0.00 O ATOM 213 CB ALA A 16 -10.513 4.917 12.555 1.00 0.00 C ATOM 0 H ALA A 16 -12.210 3.920 11.075 1.00 0.00 H new ATOM 0 HA ALA A 16 -12.392 5.790 13.152 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -9.914 5.541 13.219 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.724 3.966 13.044 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.962 4.736 11.632 1.00 0.00 H new ATOM 219 N HIS A 17 -11.181 6.975 10.309 1.00 0.00 N ATOM 220 CA HIS A 17 -10.871 8.209 9.584 1.00 0.00 C ATOM 221 C HIS A 17 -12.062 8.638 8.735 1.00 0.00 C ATOM 222 O HIS A 17 -11.952 9.534 7.899 1.00 0.00 O ATOM 223 CB HIS A 17 -9.651 8.003 8.679 1.00 0.00 C ATOM 224 CG HIS A 17 -8.404 7.947 9.517 1.00 0.00 C ATOM 225 ND1 HIS A 17 -8.377 7.351 10.768 1.00 0.00 N ATOM 226 CD2 HIS A 17 -7.131 8.414 9.299 1.00 0.00 C ATOM 227 CE1 HIS A 17 -7.127 7.475 11.250 1.00 0.00 C ATOM 228 NE2 HIS A 17 -6.327 8.115 10.394 1.00 0.00 N ATOM 0 H HIS A 17 -11.112 6.128 9.746 1.00 0.00 H new ATOM 0 HA HIS A 17 -10.650 8.988 10.314 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -9.760 7.080 8.109 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -9.580 8.817 7.957 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -6.804 8.935 8.411 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -6.809 7.102 12.213 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.339 8.337 10.517 1.00 0.00 H new ATOM 236 N GLY A 18 -13.197 7.987 8.952 1.00 0.00 N ATOM 237 CA GLY A 18 -14.398 8.313 8.196 1.00 0.00 C ATOM 238 C GLY A 18 -14.846 9.743 8.477 1.00 0.00 C ATOM 239 O GLY A 18 -15.041 10.534 7.555 1.00 0.00 O ATOM 0 H GLY A 18 -13.311 7.239 9.636 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -14.206 8.191 7.130 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -15.197 7.619 8.458 1.00 0.00 H new ATOM 243 N ILE A 19 -14.996 10.072 9.758 1.00 0.00 N ATOM 244 CA ILE A 19 -15.418 11.413 10.154 1.00 0.00 C ATOM 245 C ILE A 19 -14.348 12.446 9.797 1.00 0.00 C ATOM 246 O ILE A 19 -14.660 13.597 9.495 1.00 0.00 O ATOM 247 CB ILE A 19 -15.690 11.452 11.663 1.00 0.00 C ATOM 248 CG1 ILE A 19 -16.332 12.799 12.046 1.00 0.00 C ATOM 249 CG2 ILE A 19 -14.374 11.283 12.425 1.00 0.00 C ATOM 250 CD1 ILE A 19 -17.718 12.945 11.397 1.00 0.00 C ATOM 0 H ILE A 19 -14.833 9.432 10.536 1.00 0.00 H new ATOM 0 HA ILE A 19 -16.332 11.658 9.614 1.00 0.00 H new ATOM 0 HB ILE A 19 -16.371 10.642 11.923 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -16.423 12.869 13.130 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -15.688 13.618 11.727 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -14.568 11.311 13.497 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -13.922 10.326 12.163 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.693 12.091 12.159 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -18.153 13.903 11.681 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -17.619 12.898 10.313 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -18.366 12.137 11.737 1.00 0.00 H new ATOM 262 N LEU A 20 -13.090 12.021 9.835 1.00 0.00 N ATOM 263 CA LEU A 20 -11.981 12.912 9.503 1.00 0.00 C ATOM 264 C LEU A 20 -11.979 13.218 8.006 1.00 0.00 C ATOM 265 O LEU A 20 -11.697 14.343 7.592 1.00 0.00 O ATOM 266 CB LEU A 20 -10.644 12.272 9.928 1.00 0.00 C ATOM 267 CG LEU A 20 -10.422 12.453 11.452 1.00 0.00 C ATOM 268 CD1 LEU A 20 -9.525 11.328 11.989 1.00 0.00 C ATOM 269 CD2 LEU A 20 -9.745 13.811 11.731 1.00 0.00 C ATOM 0 H LEU A 20 -12.812 11.073 10.090 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.105 13.849 10.045 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.645 11.211 9.677 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.822 12.730 9.377 1.00 0.00 H new ATOM 0 HG LEU A 20 -11.391 12.419 11.950 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.374 11.463 13.060 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.002 10.365 11.808 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.561 11.357 11.480 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.594 13.928 12.804 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.782 13.849 11.222 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.381 14.617 11.364 1.00 0.00 H new ATOM 281 N SER A 21 -12.285 12.202 7.199 1.00 0.00 N ATOM 282 CA SER A 21 -12.310 12.366 5.748 1.00 0.00 C ATOM 283 C SER A 21 -13.368 13.387 5.336 1.00 0.00 C ATOM 284 O SER A 21 -13.123 14.237 4.481 1.00 0.00 O ATOM 285 CB SER A 21 -12.606 11.025 5.075 1.00 0.00 C ATOM 286 OG SER A 21 -12.949 11.249 3.713 1.00 0.00 O ATOM 0 H SER A 21 -12.517 11.263 7.524 1.00 0.00 H new ATOM 0 HA SER A 21 -11.332 12.727 5.429 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.736 10.372 5.140 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.423 10.519 5.589 1.00 0.00 H new ATOM 0 HG SER A 21 -13.138 10.391 3.278 1.00 0.00 H new ATOM 292 N PHE A 22 -14.544 13.303 5.956 1.00 0.00 N ATOM 293 CA PHE A 22 -15.628 14.233 5.649 1.00 0.00 C ATOM 294 C PHE A 22 -15.239 15.652 6.040 1.00 0.00 C ATOM 295 O PHE A 22 -15.615 16.611 5.371 1.00 0.00 O ATOM 296 CB PHE A 22 -16.916 13.830 6.375 1.00 0.00 C ATOM 297 CG PHE A 22 -17.498 12.584 5.737 1.00 0.00 C ATOM 298 CD1 PHE A 22 -17.955 12.624 4.415 1.00 0.00 C ATOM 299 CD2 PHE A 22 -17.574 11.392 6.469 1.00 0.00 C ATOM 300 CE1 PHE A 22 -18.488 11.473 3.823 1.00 0.00 C ATOM 301 CE2 PHE A 22 -18.107 10.241 5.878 1.00 0.00 C ATOM 302 CZ PHE A 22 -18.565 10.281 4.555 1.00 0.00 C ATOM 0 H PHE A 22 -14.769 12.607 6.667 1.00 0.00 H new ATOM 0 HA PHE A 22 -15.807 14.196 4.575 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -16.708 13.646 7.429 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -17.639 14.644 6.330 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -17.896 13.543 3.851 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -17.221 11.361 7.489 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -18.840 11.504 2.802 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -18.165 9.322 6.442 1.00 0.00 H new ATOM 0 HZ PHE A 22 -18.977 9.393 4.099 1.00 0.00 H new ATOM 312 N LEU A 23 -14.494 15.783 7.129 1.00 0.00 N ATOM 313 CA LEU A 23 -14.074 17.098 7.593 1.00 0.00 C ATOM 314 C LEU A 23 -13.265 17.811 6.511 1.00 0.00 C ATOM 315 O LEU A 23 -13.369 19.026 6.349 1.00 0.00 O ATOM 316 CB LEU A 23 -13.222 16.961 8.862 1.00 0.00 C ATOM 317 CG LEU A 23 -12.852 18.351 9.416 1.00 0.00 C ATOM 318 CD1 LEU A 23 -14.121 19.120 9.835 1.00 0.00 C ATOM 319 CD2 LEU A 23 -11.930 18.178 10.630 1.00 0.00 C ATOM 0 H LEU A 23 -14.171 15.004 7.702 1.00 0.00 H new ATOM 0 HA LEU A 23 -14.964 17.686 7.817 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -13.770 16.397 9.616 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.315 16.398 8.639 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.342 18.920 8.639 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -13.841 20.099 10.224 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -14.773 19.246 8.970 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -14.648 18.560 10.608 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -11.664 19.158 11.027 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -12.445 17.602 11.399 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -11.025 17.651 10.327 1.00 0.00 H new ATOM 331 N VAL A 24 -12.462 17.049 5.775 1.00 0.00 N ATOM 332 CA VAL A 24 -11.651 17.626 4.710 1.00 0.00 C ATOM 333 C VAL A 24 -12.510 17.915 3.485 1.00 0.00 C ATOM 334 O VAL A 24 -12.410 18.981 2.877 1.00 0.00 O ATOM 335 CB VAL A 24 -10.522 16.666 4.330 1.00 0.00 C ATOM 336 CG1 VAL A 24 -9.604 17.339 3.308 1.00 0.00 C ATOM 337 CG2 VAL A 24 -9.719 16.310 5.580 1.00 0.00 C ATOM 0 H VAL A 24 -12.356 16.042 5.895 1.00 0.00 H new ATOM 0 HA VAL A 24 -11.222 18.561 5.071 1.00 0.00 H new ATOM 0 HB VAL A 24 -10.944 15.759 3.897 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.799 16.656 3.037 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -10.178 17.596 2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.180 18.245 3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.914 15.626 5.313 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.296 17.217 6.011 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -10.374 15.832 6.309 1.00 0.00 H new ATOM 347 N PHE A 25 -13.350 16.949 3.130 1.00 0.00 N ATOM 348 CA PHE A 25 -14.234 17.092 1.980 1.00 0.00 C ATOM 349 C PHE A 25 -15.273 18.182 2.223 1.00 0.00 C ATOM 350 O PHE A 25 -15.558 18.991 1.339 1.00 0.00 O ATOM 351 CB PHE A 25 -14.936 15.765 1.684 1.00 0.00 C ATOM 352 CG PHE A 25 -15.865 15.943 0.506 1.00 0.00 C ATOM 353 CD1 PHE A 25 -15.347 15.970 -0.794 1.00 0.00 C ATOM 354 CD2 PHE A 25 -17.242 16.086 0.714 1.00 0.00 C ATOM 355 CE1 PHE A 25 -16.207 16.137 -1.887 1.00 0.00 C ATOM 356 CE2 PHE A 25 -18.102 16.253 -0.378 1.00 0.00 C ATOM 357 CZ PHE A 25 -17.584 16.280 -1.678 1.00 0.00 C ATOM 0 H PHE A 25 -13.437 16.060 3.622 1.00 0.00 H new ATOM 0 HA PHE A 25 -13.627 17.377 1.121 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -14.199 14.991 1.467 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -15.498 15.435 2.558 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -14.284 15.862 -0.954 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -17.641 16.067 1.717 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -15.808 16.155 -2.890 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -19.165 16.361 -0.217 1.00 0.00 H new ATOM 0 HZ PHE A 25 -18.247 16.411 -2.520 1.00 0.00 H new ATOM 367 N PHE A 26 -15.841 18.190 3.425 1.00 0.00 N ATOM 368 CA PHE A 26 -16.856 19.173 3.785 1.00 0.00 C ATOM 369 C PHE A 26 -16.259 20.575 3.851 1.00 0.00 C ATOM 370 O PHE A 26 -16.970 21.568 3.696 1.00 0.00 O ATOM 371 CB PHE A 26 -17.468 18.817 5.141 1.00 0.00 C ATOM 372 CG PHE A 26 -18.506 19.850 5.513 1.00 0.00 C ATOM 373 CD1 PHE A 26 -19.734 19.876 4.840 1.00 0.00 C ATOM 374 CD2 PHE A 26 -18.243 20.781 6.525 1.00 0.00 C ATOM 375 CE1 PHE A 26 -20.699 20.833 5.179 1.00 0.00 C ATOM 376 CE2 PHE A 26 -19.208 21.737 6.864 1.00 0.00 C ATOM 377 CZ PHE A 26 -20.435 21.763 6.192 1.00 0.00 C ATOM 0 H PHE A 26 -15.615 17.526 4.166 1.00 0.00 H new ATOM 0 HA PHE A 26 -17.629 19.159 3.017 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -17.923 17.828 5.098 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -16.690 18.777 5.904 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -19.937 19.158 4.059 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -17.296 20.762 7.044 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -21.646 20.854 4.660 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -19.005 22.455 7.645 1.00 0.00 H new ATOM 0 HZ PHE A 26 -21.179 22.501 6.455 1.00 0.00 H new ATOM 387 N SER A 27 -14.953 20.651 4.087 1.00 0.00 N ATOM 388 CA SER A 27 -14.283 21.943 4.178 1.00 0.00 C ATOM 389 C SER A 27 -14.500 22.738 2.897 1.00 0.00 C ATOM 390 O SER A 27 -14.590 23.965 2.922 1.00 0.00 O ATOM 391 CB SER A 27 -12.784 21.739 4.403 1.00 0.00 C ATOM 392 OG SER A 27 -12.184 21.308 3.188 1.00 0.00 O ATOM 0 H SER A 27 -14.344 19.843 4.217 1.00 0.00 H new ATOM 0 HA SER A 27 -14.703 22.496 5.018 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.325 22.668 4.740 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.619 21.000 5.187 1.00 0.00 H new ATOM 0 HG SER A 27 -11.906 20.372 3.274 1.00 0.00 H new ATOM 398 N ALA A 28 -14.591 22.026 1.781 1.00 0.00 N ATOM 399 CA ALA A 28 -14.808 22.668 0.491 1.00 0.00 C ATOM 400 C ALA A 28 -16.164 23.365 0.465 1.00 0.00 C ATOM 401 O ALA A 28 -16.351 24.355 -0.242 1.00 0.00 O ATOM 402 CB ALA A 28 -14.739 21.630 -0.631 1.00 0.00 C ATOM 0 H ALA A 28 -14.518 21.009 1.743 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.026 23.412 0.339 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.902 22.120 -1.591 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -13.758 21.156 -0.628 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -15.508 20.873 -0.474 1.00 0.00 H new ATOM 408 N ALA A 29 -17.112 22.839 1.235 1.00 0.00 N ATOM 409 CA ALA A 29 -18.450 23.418 1.283 1.00 0.00 C ATOM 410 C ALA A 29 -18.383 24.905 1.620 1.00 0.00 C ATOM 411 O ALA A 29 -19.018 25.726 0.958 1.00 0.00 O ATOM 412 CB ALA A 29 -19.293 22.695 2.335 1.00 0.00 C ATOM 0 H ALA A 29 -16.980 22.020 1.829 1.00 0.00 H new ATOM 0 HA ALA A 29 -18.910 23.301 0.302 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -20.291 23.133 2.365 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -19.368 21.638 2.078 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -18.822 22.798 3.312 1.00 0.00 H new ATOM 418 N TRP A 30 -17.614 25.247 2.650 1.00 0.00 N ATOM 419 CA TRP A 30 -17.478 26.641 3.064 1.00 0.00 C ATOM 420 C TRP A 30 -16.992 27.501 1.903 1.00 0.00 C ATOM 421 O TRP A 30 -17.425 28.640 1.738 1.00 0.00 O ATOM 422 CB TRP A 30 -16.482 26.744 4.220 1.00 0.00 C ATOM 423 CG TRP A 30 -16.994 25.967 5.390 1.00 0.00 C ATOM 424 CD1 TRP A 30 -16.927 24.621 5.512 1.00 0.00 C ATOM 425 CD2 TRP A 30 -17.645 26.457 6.597 1.00 0.00 C ATOM 426 NE1 TRP A 30 -17.497 24.254 6.719 1.00 0.00 N ATOM 427 CE2 TRP A 30 -17.954 25.351 7.424 1.00 0.00 C ATOM 428 CE3 TRP A 30 -17.995 27.742 7.053 1.00 0.00 C ATOM 429 CZ2 TRP A 30 -18.586 25.513 8.657 1.00 0.00 C ATOM 430 CZ3 TRP A 30 -18.631 27.908 8.293 1.00 0.00 C ATOM 431 CH2 TRP A 30 -18.927 26.795 9.093 1.00 0.00 C ATOM 0 H TRP A 30 -17.079 24.584 3.210 1.00 0.00 H new ATOM 0 HA TRP A 30 -18.455 27.001 3.386 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -15.510 26.359 3.912 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -16.338 27.788 4.498 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -16.499 23.944 4.787 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -17.571 23.291 7.048 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -17.773 28.606 6.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -18.810 24.653 9.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -18.894 28.899 8.633 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -19.418 26.929 10.045 1.00 0.00 H new ATOM 442 N TYR A 31 -16.093 26.947 1.096 1.00 0.00 N ATOM 443 CA TYR A 31 -15.565 27.677 -0.049 1.00 0.00 C ATOM 444 C TYR A 31 -16.652 27.877 -1.105 1.00 0.00 C ATOM 445 O TYR A 31 -16.789 28.963 -1.668 1.00 0.00 O ATOM 446 CB TYR A 31 -14.381 26.915 -0.657 1.00 0.00 C ATOM 447 CG TYR A 31 -13.148 27.116 0.200 1.00 0.00 C ATOM 448 CD1 TYR A 31 -13.071 26.522 1.465 1.00 0.00 C ATOM 449 CD2 TYR A 31 -12.085 27.894 -0.274 1.00 0.00 C ATOM 450 CE1 TYR A 31 -11.933 26.707 2.258 1.00 0.00 C ATOM 451 CE2 TYR A 31 -10.946 28.079 0.518 1.00 0.00 C ATOM 452 CZ TYR A 31 -10.870 27.487 1.784 1.00 0.00 C ATOM 453 OH TYR A 31 -9.745 27.668 2.567 1.00 0.00 O ATOM 0 H TYR A 31 -15.719 26.005 1.212 1.00 0.00 H new ATOM 0 HA TYR A 31 -15.225 28.655 0.291 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -14.617 25.853 -0.727 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -14.192 27.267 -1.671 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -13.891 25.920 1.829 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -12.144 28.351 -1.251 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.874 26.249 3.234 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -10.126 28.679 0.152 1.00 0.00 H new ATOM 0 HH TYR A 31 -9.102 28.234 2.090 1.00 0.00 H new ATOM 463 N ILE A 32 -17.413 26.820 -1.379 1.00 0.00 N ATOM 464 CA ILE A 32 -18.470 26.888 -2.383 1.00 0.00 C ATOM 465 C ILE A 32 -19.538 27.902 -1.976 1.00 0.00 C ATOM 466 O ILE A 32 -19.995 28.697 -2.796 1.00 0.00 O ATOM 467 CB ILE A 32 -19.114 25.508 -2.551 1.00 0.00 C ATOM 468 CG1 ILE A 32 -18.098 24.539 -3.161 1.00 0.00 C ATOM 469 CG2 ILE A 32 -20.327 25.616 -3.480 1.00 0.00 C ATOM 470 CD1 ILE A 32 -18.627 23.108 -3.037 1.00 0.00 C ATOM 0 H ILE A 32 -17.318 25.912 -0.923 1.00 0.00 H new ATOM 0 HA ILE A 32 -18.028 27.205 -3.328 1.00 0.00 H new ATOM 0 HB ILE A 32 -19.432 25.140 -1.576 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -17.926 24.786 -4.209 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -17.139 24.630 -2.651 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -20.783 24.633 -3.598 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -21.054 26.305 -3.050 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -20.008 25.987 -4.454 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -17.906 22.415 -3.470 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -18.777 22.865 -1.985 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -19.576 23.024 -3.567 1.00 0.00 H new ATOM 482 N LYS A 33 -19.936 27.871 -0.708 1.00 0.00 N ATOM 483 CA LYS A 33 -20.954 28.799 -0.224 1.00 0.00 C ATOM 484 C LYS A 33 -20.464 30.238 -0.344 1.00 0.00 C ATOM 485 O LYS A 33 -21.202 31.121 -0.778 1.00 0.00 O ATOM 486 CB LYS A 33 -21.294 28.493 1.236 1.00 0.00 C ATOM 487 CG LYS A 33 -22.051 27.166 1.320 1.00 0.00 C ATOM 488 CD LYS A 33 -22.562 26.958 2.750 1.00 0.00 C ATOM 489 CE LYS A 33 -21.389 26.721 3.713 1.00 0.00 C ATOM 490 NZ LYS A 33 -20.830 28.033 4.144 1.00 0.00 N ATOM 0 H LYS A 33 -19.576 27.224 -0.006 1.00 0.00 H new ATOM 0 HA LYS A 33 -21.848 28.678 -0.835 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -20.381 28.440 1.829 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -21.900 29.296 1.655 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -22.887 27.167 0.620 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -21.396 26.343 1.033 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -23.131 27.831 3.069 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -23.242 26.106 2.779 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -21.725 26.154 4.581 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -20.617 26.127 3.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -20.590 27.993 5.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -19.974 28.243 3.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -21.536 28.780 3.986 1.00 0.00 H new ATOM 504 N GLY A 34 -19.215 30.467 0.041 1.00 0.00 N ATOM 505 CA GLY A 34 -18.643 31.806 -0.032 1.00 0.00 C ATOM 506 C GLY A 34 -19.281 32.724 1.004 1.00 0.00 C ATOM 507 O GLY A 34 -19.199 33.948 0.899 1.00 0.00 O ATOM 0 H GLY A 34 -18.584 29.752 0.403 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.567 31.756 0.133 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -18.793 32.217 -1.030 1.00 0.00 H new ATOM 511 N ARG A 35 -19.917 32.124 2.010 1.00 0.00 N ATOM 512 CA ARG A 35 -20.566 32.895 3.070 1.00 0.00 C ATOM 513 C ARG A 35 -19.616 33.072 4.248 1.00 0.00 C ATOM 514 O ARG A 35 -19.927 33.769 5.214 1.00 0.00 O ATOM 515 CB ARG A 35 -21.841 32.179 3.535 1.00 0.00 C ATOM 516 CG ARG A 35 -22.898 32.186 2.406 1.00 0.00 C ATOM 517 CD ARG A 35 -23.872 33.360 2.595 1.00 0.00 C ATOM 518 NE ARG A 35 -23.159 34.529 3.098 1.00 0.00 N ATOM 519 CZ ARG A 35 -23.665 35.752 2.978 1.00 0.00 C ATOM 520 NH1 ARG A 35 -24.823 35.926 2.401 1.00 0.00 N ATOM 521 NH2 ARG A 35 -23.005 36.780 3.436 1.00 0.00 N ATOM 0 H ARG A 35 -19.997 31.112 2.113 1.00 0.00 H new ATOM 0 HA ARG A 35 -20.830 33.877 2.677 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -21.608 31.153 3.819 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -22.241 32.672 4.421 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -22.405 32.266 1.437 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -23.448 31.245 2.407 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -24.354 33.599 1.647 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -24.662 33.079 3.292 1.00 0.00 H new ATOM 0 HE ARG A 35 -22.254 34.405 3.551 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -25.340 35.123 2.042 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -25.211 36.865 2.309 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -22.100 36.645 3.887 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -23.394 37.718 3.343 1.00 0.00 H new ATOM 535 N LEU A 36 -18.456 32.432 4.155 1.00 0.00 N ATOM 536 CA LEU A 36 -17.457 32.517 5.214 1.00 0.00 C ATOM 537 C LEU A 36 -16.927 33.949 5.307 1.00 0.00 C ATOM 538 O LEU A 36 -17.014 34.716 4.348 1.00 0.00 O ATOM 539 CB LEU A 36 -16.288 31.538 4.938 1.00 0.00 C ATOM 540 CG LEU A 36 -16.094 31.339 3.424 1.00 0.00 C ATOM 541 CD1 LEU A 36 -15.870 32.696 2.737 1.00 0.00 C ATOM 542 CD2 LEU A 36 -14.875 30.442 3.185 1.00 0.00 C ATOM 0 H LEU A 36 -18.185 31.851 3.361 1.00 0.00 H new ATOM 0 HA LEU A 36 -17.923 32.241 6.160 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -15.370 31.925 5.380 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -16.490 30.578 5.413 1.00 0.00 H new ATOM 0 HG LEU A 36 -16.986 30.872 3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -15.734 32.544 1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -16.736 33.336 2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -14.981 33.171 3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -14.734 30.298 2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -13.988 30.913 3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -15.035 29.476 3.663 1.00 0.00 H new ATOM 554 N ALA A 37 -16.368 34.301 6.458 1.00 0.00 N ATOM 555 CA ALA A 37 -15.822 35.639 6.639 1.00 0.00 C ATOM 556 C ALA A 37 -14.977 35.705 7.915 1.00 0.00 C ATOM 557 O ALA A 37 -14.931 34.743 8.681 1.00 0.00 O ATOM 558 CB ALA A 37 -16.972 36.666 6.699 1.00 0.00 C ATOM 0 H ALA A 37 -16.281 33.689 7.269 1.00 0.00 H new ATOM 0 HA ALA A 37 -15.178 35.877 5.792 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -16.560 37.666 6.835 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.540 36.631 5.770 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -17.629 36.428 7.535 1.00 0.00 H new ATOM 564 N PRO A 38 -14.322 36.814 8.165 1.00 0.00 N ATOM 565 CA PRO A 38 -13.481 36.983 9.387 1.00 0.00 C ATOM 566 C PRO A 38 -14.294 36.774 10.666 1.00 0.00 C ATOM 567 O PRO A 38 -15.435 37.225 10.765 1.00 0.00 O ATOM 568 CB PRO A 38 -12.970 38.436 9.291 1.00 0.00 C ATOM 569 CG PRO A 38 -13.099 38.801 7.848 1.00 0.00 C ATOM 570 CD PRO A 38 -14.298 38.021 7.317 1.00 0.00 C ATOM 0 HA PRO A 38 -12.674 36.252 9.434 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.559 39.103 9.920 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.936 38.513 9.626 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.249 39.874 7.730 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.193 38.544 7.299 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -15.221 38.593 7.406 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -14.179 37.770 6.263 1.00 0.00 H new ATOM 578 N GLY A 39 -13.692 36.097 11.640 1.00 0.00 N ATOM 579 CA GLY A 39 -14.359 35.834 12.915 1.00 0.00 C ATOM 580 C GLY A 39 -14.118 34.399 13.366 1.00 0.00 C ATOM 581 O GLY A 39 -13.070 34.085 13.929 1.00 0.00 O ATOM 0 H GLY A 39 -12.746 35.721 11.573 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.990 36.525 13.673 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -15.429 36.013 12.814 1.00 0.00 H new ATOM 585 N ALA A 40 -15.098 33.535 13.120 1.00 0.00 N ATOM 586 CA ALA A 40 -14.983 32.134 13.508 1.00 0.00 C ATOM 587 C ALA A 40 -13.888 31.435 12.709 1.00 0.00 C ATOM 588 O ALA A 40 -13.151 30.607 13.245 1.00 0.00 O ATOM 589 CB ALA A 40 -16.316 31.418 13.288 1.00 0.00 C ATOM 0 H ALA A 40 -15.974 33.778 12.657 1.00 0.00 H new ATOM 0 HA ALA A 40 -14.720 32.095 14.565 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.220 30.372 13.581 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -17.089 31.894 13.891 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -16.591 31.476 12.235 1.00 0.00 H new ATOM 595 N ALA A 41 -13.790 31.764 11.424 1.00 0.00 N ATOM 596 CA ALA A 41 -12.783 31.151 10.565 1.00 0.00 C ATOM 597 C ALA A 41 -11.414 31.174 11.237 1.00 0.00 C ATOM 598 O ALA A 41 -11.016 30.197 11.868 1.00 0.00 O ATOM 599 CB ALA A 41 -12.721 31.885 9.226 1.00 0.00 C ATOM 0 H ALA A 41 -14.390 32.445 10.958 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.064 30.112 10.391 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.967 31.421 8.591 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -13.693 31.829 8.735 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.460 32.930 9.395 1.00 0.00 H new ATOM 605 N TYR A 42 -10.694 32.287 11.083 1.00 0.00 N ATOM 606 CA TYR A 42 -9.354 32.437 11.667 1.00 0.00 C ATOM 607 C TYR A 42 -9.205 31.630 12.961 1.00 0.00 C ATOM 608 O TYR A 42 -8.196 30.962 13.170 1.00 0.00 O ATOM 609 CB TYR A 42 -9.077 33.912 11.962 1.00 0.00 C ATOM 610 CG TYR A 42 -8.894 34.666 10.663 1.00 0.00 C ATOM 611 CD1 TYR A 42 -7.704 34.529 9.941 1.00 0.00 C ATOM 612 CD2 TYR A 42 -9.911 35.502 10.186 1.00 0.00 C ATOM 613 CE1 TYR A 42 -7.528 35.230 8.740 1.00 0.00 C ATOM 614 CE2 TYR A 42 -9.737 36.202 8.987 1.00 0.00 C ATOM 615 CZ TYR A 42 -8.545 36.065 8.264 1.00 0.00 C ATOM 616 OH TYR A 42 -8.374 36.755 7.080 1.00 0.00 O ATOM 0 H TYR A 42 -11.015 33.101 10.558 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.635 32.056 10.941 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -9.903 34.341 12.529 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -8.183 34.008 12.578 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.921 33.883 10.309 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -10.830 35.607 10.744 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -6.609 35.126 8.183 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -10.521 36.847 8.619 1.00 0.00 H new ATOM 0 HH TYR A 42 -9.175 37.288 6.893 1.00 0.00 H new ATOM 626 N ALA A 43 -10.216 31.695 13.821 1.00 0.00 N ATOM 627 CA ALA A 43 -10.180 30.956 15.081 1.00 0.00 C ATOM 628 C ALA A 43 -10.258 29.449 14.830 1.00 0.00 C ATOM 629 O ALA A 43 -9.491 28.673 15.402 1.00 0.00 O ATOM 630 CB ALA A 43 -11.353 31.391 15.961 1.00 0.00 C ATOM 0 H ALA A 43 -11.062 32.245 13.673 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.238 31.174 15.585 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.327 30.840 16.901 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.279 32.459 16.164 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.291 31.184 15.446 1.00 0.00 H new ATOM 636 N PHE A 44 -11.198 29.044 13.979 1.00 0.00 N ATOM 637 CA PHE A 44 -11.390 27.629 13.656 1.00 0.00 C ATOM 638 C PHE A 44 -10.501 27.201 12.486 1.00 0.00 C ATOM 639 O PHE A 44 -9.548 26.443 12.665 1.00 0.00 O ATOM 640 CB PHE A 44 -12.859 27.370 13.308 1.00 0.00 C ATOM 641 CG PHE A 44 -13.028 25.939 12.856 1.00 0.00 C ATOM 642 CD1 PHE A 44 -12.997 24.901 13.797 1.00 0.00 C ATOM 643 CD2 PHE A 44 -13.210 25.646 11.500 1.00 0.00 C ATOM 644 CE1 PHE A 44 -13.148 23.573 13.382 1.00 0.00 C ATOM 645 CE2 PHE A 44 -13.362 24.318 11.084 1.00 0.00 C ATOM 646 CZ PHE A 44 -13.332 23.282 12.024 1.00 0.00 C ATOM 0 H PHE A 44 -11.840 29.675 13.499 1.00 0.00 H new ATOM 0 HA PHE A 44 -11.110 27.042 14.530 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -13.489 27.564 14.176 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -13.182 28.051 12.521 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -12.856 25.126 14.844 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -13.233 26.445 10.774 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -13.123 22.774 14.108 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -13.502 24.093 10.037 1.00 0.00 H new ATOM 0 HZ PHE A 44 -13.451 22.258 11.703 1.00 0.00 H new ATOM 656 N TYR A 45 -10.828 27.681 11.290 1.00 0.00 N ATOM 657 CA TYR A 45 -10.062 27.324 10.097 1.00 0.00 C ATOM 658 C TYR A 45 -8.563 27.504 10.343 1.00 0.00 C ATOM 659 O TYR A 45 -7.756 26.683 9.905 1.00 0.00 O ATOM 660 CB TYR A 45 -10.520 28.194 8.905 1.00 0.00 C ATOM 661 CG TYR A 45 -11.527 27.445 8.053 1.00 0.00 C ATOM 662 CD1 TYR A 45 -11.077 26.620 7.015 1.00 0.00 C ATOM 663 CD2 TYR A 45 -12.899 27.576 8.298 1.00 0.00 C ATOM 664 CE1 TYR A 45 -11.999 25.927 6.222 1.00 0.00 C ATOM 665 CE2 TYR A 45 -13.821 26.883 7.504 1.00 0.00 C ATOM 666 CZ TYR A 45 -13.371 26.059 6.466 1.00 0.00 C ATOM 667 OH TYR A 45 -14.281 25.376 5.683 1.00 0.00 O ATOM 0 H TYR A 45 -11.611 28.313 11.120 1.00 0.00 H new ATOM 0 HA TYR A 45 -10.243 26.275 9.864 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.963 29.119 9.272 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.658 28.472 8.299 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -10.018 26.518 6.826 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -13.246 28.211 9.099 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -11.652 25.290 5.422 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -14.880 26.984 7.693 1.00 0.00 H new ATOM 0 HH TYR A 45 -15.172 25.440 6.086 1.00 0.00 H new ATOM 677 N GLY A 46 -8.191 28.570 11.042 1.00 0.00 N ATOM 678 CA GLY A 46 -6.781 28.826 11.329 1.00 0.00 C ATOM 679 C GLY A 46 -6.051 27.537 11.697 1.00 0.00 C ATOM 680 O GLY A 46 -4.837 27.430 11.529 1.00 0.00 O ATOM 0 H GLY A 46 -8.836 29.265 11.418 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.307 29.280 10.459 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.697 29.541 12.147 1.00 0.00 H new ATOM 684 N VAL A 47 -6.805 26.556 12.190 1.00 0.00 N ATOM 685 CA VAL A 47 -6.220 25.275 12.571 1.00 0.00 C ATOM 686 C VAL A 47 -6.034 24.389 11.342 1.00 0.00 C ATOM 687 O VAL A 47 -6.796 23.449 11.119 1.00 0.00 O ATOM 688 CB VAL A 47 -7.122 24.562 13.582 1.00 0.00 C ATOM 689 CG1 VAL A 47 -6.447 23.270 14.052 1.00 0.00 C ATOM 690 CG2 VAL A 47 -7.360 25.473 14.787 1.00 0.00 C ATOM 0 H VAL A 47 -7.813 26.623 12.333 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.247 25.463 13.026 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.075 24.325 13.109 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.091 22.764 14.772 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.276 22.617 13.196 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.493 23.508 14.523 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.002 24.965 15.506 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.406 25.711 15.257 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.842 26.394 14.458 1.00 0.00 H new ATOM 700 N TRP A 48 -5.009 24.699 10.553 1.00 0.00 N ATOM 701 CA TRP A 48 -4.702 23.931 9.346 1.00 0.00 C ATOM 702 C TRP A 48 -3.575 22.919 9.617 1.00 0.00 C ATOM 703 O TRP A 48 -3.618 21.795 9.117 1.00 0.00 O ATOM 704 CB TRP A 48 -4.299 24.898 8.202 1.00 0.00 C ATOM 705 CG TRP A 48 -5.403 25.011 7.193 1.00 0.00 C ATOM 706 CD1 TRP A 48 -5.889 23.982 6.459 1.00 0.00 C ATOM 707 CD2 TRP A 48 -6.161 26.189 6.794 1.00 0.00 C ATOM 708 NE1 TRP A 48 -6.895 24.455 5.636 1.00 0.00 N ATOM 709 CE2 TRP A 48 -7.100 25.810 5.806 1.00 0.00 C ATOM 710 CE3 TRP A 48 -6.124 27.539 7.189 1.00 0.00 C ATOM 711 CZ2 TRP A 48 -7.972 26.735 5.231 1.00 0.00 C ATOM 712 CZ3 TRP A 48 -7.001 28.473 6.612 1.00 0.00 C ATOM 713 CH2 TRP A 48 -7.923 28.072 5.635 1.00 0.00 C ATOM 0 H TRP A 48 -4.374 25.478 10.727 1.00 0.00 H new ATOM 0 HA TRP A 48 -5.590 23.374 9.047 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -4.073 25.882 8.613 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -3.391 24.538 7.717 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.547 22.959 6.508 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.421 23.874 4.983 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -5.417 27.859 7.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -8.680 26.420 4.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -6.965 29.507 6.923 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -8.594 28.795 5.195 1.00 0.00 H new ATOM 724 N PRO A 49 -2.570 23.287 10.383 1.00 0.00 N ATOM 725 CA PRO A 49 -1.427 22.372 10.688 1.00 0.00 C ATOM 726 C PRO A 49 -1.897 21.023 11.244 1.00 0.00 C ATOM 727 O PRO A 49 -1.564 19.971 10.702 1.00 0.00 O ATOM 728 CB PRO A 49 -0.604 23.149 11.727 1.00 0.00 C ATOM 729 CG PRO A 49 -0.959 24.587 11.514 1.00 0.00 C ATOM 730 CD PRO A 49 -2.411 24.598 11.035 1.00 0.00 C ATOM 0 HA PRO A 49 -0.855 22.118 9.796 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.847 22.830 12.740 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.464 22.982 11.588 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.849 25.157 12.437 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.301 25.046 10.776 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.106 24.720 11.866 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.598 25.417 10.340 1.00 0.00 H new ATOM 738 N LEU A 50 -2.676 21.067 12.324 1.00 0.00 N ATOM 739 CA LEU A 50 -3.185 19.844 12.944 1.00 0.00 C ATOM 740 C LEU A 50 -4.183 19.140 12.027 1.00 0.00 C ATOM 741 O LEU A 50 -4.338 17.919 12.085 1.00 0.00 O ATOM 742 CB LEU A 50 -3.861 20.180 14.282 1.00 0.00 C ATOM 743 CG LEU A 50 -2.798 20.343 15.375 1.00 0.00 C ATOM 744 CD1 LEU A 50 -1.807 21.431 14.964 1.00 0.00 C ATOM 745 CD2 LEU A 50 -3.476 20.739 16.689 1.00 0.00 C ATOM 0 H LEU A 50 -2.967 21.929 12.785 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.343 19.173 13.117 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.441 21.098 14.186 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.559 19.389 14.556 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.267 19.401 15.509 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.051 21.547 15.741 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.325 21.149 14.028 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.337 22.374 14.830 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.722 20.855 17.467 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.007 21.681 16.555 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.183 19.963 16.982 1.00 0.00 H new ATOM 757 N LEU A 51 -4.882 19.912 11.206 1.00 0.00 N ATOM 758 CA LEU A 51 -5.884 19.342 10.315 1.00 0.00 C ATOM 759 C LEU A 51 -5.237 18.337 9.356 1.00 0.00 C ATOM 760 O LEU A 51 -5.757 17.242 9.142 1.00 0.00 O ATOM 761 CB LEU A 51 -6.563 20.474 9.511 1.00 0.00 C ATOM 762 CG LEU A 51 -8.034 20.118 9.188 1.00 0.00 C ATOM 763 CD1 LEU A 51 -8.096 18.752 8.489 1.00 0.00 C ATOM 764 CD2 LEU A 51 -8.883 20.094 10.486 1.00 0.00 C ATOM 0 H LEU A 51 -4.776 20.924 11.138 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.632 18.820 10.911 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.526 21.402 10.081 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.015 20.647 8.585 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.443 20.879 8.523 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.134 18.505 8.264 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.523 18.791 7.563 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.676 17.989 9.144 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.915 19.842 10.241 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.480 19.348 11.171 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.852 21.075 10.959 1.00 0.00 H new ATOM 776 N LEU A 52 -4.095 18.712 8.792 1.00 0.00 N ATOM 777 CA LEU A 52 -3.384 17.829 7.873 1.00 0.00 C ATOM 778 C LEU A 52 -2.628 16.746 8.650 1.00 0.00 C ATOM 779 O LEU A 52 -2.461 15.622 8.178 1.00 0.00 O ATOM 780 CB LEU A 52 -2.411 18.648 6.993 1.00 0.00 C ATOM 781 CG LEU A 52 -2.368 18.070 5.569 1.00 0.00 C ATOM 782 CD1 LEU A 52 -1.407 18.894 4.706 1.00 0.00 C ATOM 783 CD2 LEU A 52 -1.901 16.609 5.610 1.00 0.00 C ATOM 0 H LEU A 52 -3.644 19.613 8.952 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.110 17.340 7.224 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.728 19.690 6.961 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.413 18.632 7.430 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.368 18.113 5.138 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.379 18.482 3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.750 19.928 4.666 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.408 18.860 5.140 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.873 16.207 4.597 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.904 16.558 6.048 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.593 16.023 6.214 1.00 0.00 H new ATOM 795 N LEU A 53 -2.154 17.102 9.839 1.00 0.00 N ATOM 796 CA LEU A 53 -1.401 16.162 10.665 1.00 0.00 C ATOM 797 C LEU A 53 -2.284 15.008 11.143 1.00 0.00 C ATOM 798 O LEU A 53 -2.064 13.851 10.787 1.00 0.00 O ATOM 799 CB LEU A 53 -0.817 16.901 11.876 1.00 0.00 C ATOM 800 CG LEU A 53 0.328 16.081 12.502 1.00 0.00 C ATOM 801 CD1 LEU A 53 1.600 16.155 11.636 1.00 0.00 C ATOM 802 CD2 LEU A 53 0.634 16.624 13.907 1.00 0.00 C ATOM 0 H LEU A 53 -2.276 18.027 10.251 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.597 15.743 10.060 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.447 17.880 11.570 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.598 17.073 12.617 1.00 0.00 H new ATOM 0 HG LEU A 53 0.013 15.039 12.563 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.392 15.568 12.101 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.388 15.757 10.644 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.921 17.193 11.550 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.444 16.046 14.352 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.932 17.670 13.836 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.256 16.542 14.531 1.00 0.00 H new ATOM 814 N LEU A 54 -3.286 15.335 11.950 1.00 0.00 N ATOM 815 CA LEU A 54 -4.195 14.323 12.479 1.00 0.00 C ATOM 816 C LEU A 54 -4.794 13.496 11.347 1.00 0.00 C ATOM 817 O LEU A 54 -5.443 12.477 11.584 1.00 0.00 O ATOM 818 CB LEU A 54 -5.318 14.994 13.289 1.00 0.00 C ATOM 819 CG LEU A 54 -5.965 13.978 14.258 1.00 0.00 C ATOM 820 CD1 LEU A 54 -5.049 13.716 15.468 1.00 0.00 C ATOM 821 CD2 LEU A 54 -7.317 14.527 14.746 1.00 0.00 C ATOM 0 H LEU A 54 -3.490 16.288 12.252 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.630 13.659 13.133 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.916 15.837 13.851 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.074 15.393 12.613 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.115 13.038 13.728 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.525 12.998 16.136 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.096 13.314 15.123 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.876 14.650 16.003 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.775 13.812 15.429 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.160 15.474 15.263 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.975 14.685 13.892 1.00 0.00 H new ATOM 833 N LEU A 55 -4.579 13.934 10.114 1.00 0.00 N ATOM 834 CA LEU A 55 -5.113 13.213 8.966 1.00 0.00 C ATOM 835 C LEU A 55 -4.292 11.947 8.688 1.00 0.00 C ATOM 836 O LEU A 55 -4.756 10.834 8.935 1.00 0.00 O ATOM 837 CB LEU A 55 -5.120 14.149 7.726 1.00 0.00 C ATOM 838 CG LEU A 55 -6.527 14.198 7.077 1.00 0.00 C ATOM 839 CD1 LEU A 55 -6.949 12.779 6.626 1.00 0.00 C ATOM 840 CD2 LEU A 55 -7.558 14.783 8.079 1.00 0.00 C ATOM 0 H LEU A 55 -4.046 14.773 9.884 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.135 12.903 9.184 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.817 15.153 8.022 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.391 13.798 6.996 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.494 14.846 6.201 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.939 12.821 6.171 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.231 12.400 5.899 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.975 12.115 7.490 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.543 14.813 7.612 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.597 14.155 8.969 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.259 15.793 8.360 1.00 0.00 H new ATOM 852 N ALA A 56 -3.082 12.129 8.151 1.00 0.00 N ATOM 853 CA ALA A 56 -2.206 11.003 7.814 1.00 0.00 C ATOM 854 C ALA A 56 -1.184 10.733 8.920 1.00 0.00 C ATOM 855 O ALA A 56 -0.337 9.851 8.783 1.00 0.00 O ATOM 856 CB ALA A 56 -1.466 11.293 6.504 1.00 0.00 C ATOM 0 H ALA A 56 -2.687 13.045 7.940 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.833 10.118 7.703 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.817 10.452 6.259 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.190 11.438 5.702 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.865 12.195 6.618 1.00 0.00 H new ATOM 862 N LEU A 57 -1.269 11.483 10.022 1.00 0.00 N ATOM 863 CA LEU A 57 -0.343 11.304 11.154 1.00 0.00 C ATOM 864 C LEU A 57 -1.139 11.121 12.458 1.00 0.00 C ATOM 865 O LEU A 57 -1.314 12.070 13.223 1.00 0.00 O ATOM 866 CB LEU A 57 0.616 12.530 11.257 1.00 0.00 C ATOM 867 CG LEU A 57 2.040 12.165 10.759 1.00 0.00 C ATOM 868 CD1 LEU A 57 2.670 11.088 11.679 1.00 0.00 C ATOM 869 CD2 LEU A 57 1.968 11.663 9.298 1.00 0.00 C ATOM 0 H LEU A 57 -1.964 12.217 10.159 1.00 0.00 H new ATOM 0 HA LEU A 57 0.259 10.410 10.989 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.221 13.356 10.666 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.665 12.872 12.291 1.00 0.00 H new ATOM 0 HG LEU A 57 2.671 13.053 10.793 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.669 10.841 11.319 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.736 11.472 12.697 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.049 10.192 11.669 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.969 11.408 8.951 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.330 10.780 9.248 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.553 12.447 8.664 1.00 0.00 H new ATOM 881 N PRO A 58 -1.627 9.929 12.724 1.00 0.00 N ATOM 882 CA PRO A 58 -2.419 9.646 13.959 1.00 0.00 C ATOM 883 C PRO A 58 -1.527 9.539 15.204 1.00 0.00 C ATOM 884 O PRO A 58 -0.310 9.396 15.087 1.00 0.00 O ATOM 885 CB PRO A 58 -3.112 8.308 13.646 1.00 0.00 C ATOM 886 CG PRO A 58 -2.242 7.627 12.634 1.00 0.00 C ATOM 887 CD PRO A 58 -1.483 8.726 11.878 1.00 0.00 C ATOM 0 HA PRO A 58 -3.123 10.445 14.192 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -3.215 7.701 14.545 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -4.116 8.470 13.254 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -1.546 6.944 13.122 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -2.844 7.032 11.947 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -0.435 8.461 11.741 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.903 8.887 10.885 1.00 0.00 H new ATOM 895 N PRO A 59 -2.104 9.592 16.383 1.00 0.00 N ATOM 896 CA PRO A 59 -1.332 9.483 17.656 1.00 0.00 C ATOM 897 C PRO A 59 -0.278 8.378 17.590 1.00 0.00 C ATOM 898 O PRO A 59 0.810 8.507 18.148 1.00 0.00 O ATOM 899 CB PRO A 59 -2.409 9.150 18.698 1.00 0.00 C ATOM 900 CG PRO A 59 -3.677 9.747 18.164 1.00 0.00 C ATOM 901 CD PRO A 59 -3.548 9.782 16.630 1.00 0.00 C ATOM 0 HA PRO A 59 -0.777 10.393 17.884 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.507 8.073 18.831 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.157 9.570 19.672 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.540 9.152 18.465 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.828 10.751 18.561 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -4.139 8.994 16.163 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.900 10.729 16.222 1.00 0.00 H new ATOM 909 N ARG A 60 -0.609 7.292 16.904 1.00 0.00 N ATOM 910 CA ARG A 60 0.317 6.172 16.780 1.00 0.00 C ATOM 911 C ARG A 60 1.699 6.669 16.356 1.00 0.00 C ATOM 912 O ARG A 60 2.716 6.220 16.884 1.00 0.00 O ATOM 913 CB ARG A 60 -0.208 5.185 15.732 1.00 0.00 C ATOM 914 CG ARG A 60 -1.367 4.365 16.312 1.00 0.00 C ATOM 915 CD ARG A 60 -2.132 3.659 15.179 1.00 0.00 C ATOM 916 NE ARG A 60 -2.649 2.377 15.648 1.00 0.00 N ATOM 917 CZ ARG A 60 -1.847 1.317 15.697 1.00 0.00 C ATOM 918 NH1 ARG A 60 -0.596 1.428 15.346 1.00 0.00 N ATOM 919 NH2 ARG A 60 -2.312 0.165 16.099 1.00 0.00 N ATOM 0 H ARG A 60 -1.502 7.162 16.429 1.00 0.00 H new ATOM 0 HA ARG A 60 0.398 5.676 17.747 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.543 5.726 14.847 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.595 4.520 15.414 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.984 3.628 17.018 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.042 5.017 16.867 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.954 4.288 14.837 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.472 3.504 14.325 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.624 2.294 15.938 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.232 2.328 15.034 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.018 0.615 15.384 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.290 0.078 16.375 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.697 -0.648 16.137 1.00 0.00 H new ATOM 933 N ALA A 61 1.730 7.602 15.407 1.00 0.00 N ATOM 934 CA ALA A 61 2.997 8.158 14.923 1.00 0.00 C ATOM 935 C ALA A 61 3.247 9.531 15.541 1.00 0.00 C ATOM 936 O ALA A 61 2.366 10.102 16.183 1.00 0.00 O ATOM 937 CB ALA A 61 2.969 8.276 13.398 1.00 0.00 C ATOM 0 H ALA A 61 0.899 7.989 14.959 1.00 0.00 H new ATOM 0 HA ALA A 61 3.804 7.487 15.217 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.914 8.690 13.048 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.820 7.289 12.959 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.152 8.933 13.099 1.00 0.00 H new