USER MOD reduce.3.24.130724 H: found=0, std=0, add=464, rem=0, adj=6 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= -0.387 K(o=-0.39,f=-5.6!) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot -106:sc= 0.133 USER MOD Single : A 17 HIS : no HD1:sc= -0.966 K(o=-0.97,f=-3.8!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 165:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N GLU A 3 1.365 4.027 9.168 1.00 0.00 N ATOM 33 CA GLU A 3 1.586 5.426 8.819 1.00 0.00 C ATOM 34 C GLU A 3 0.278 6.081 8.379 1.00 0.00 C ATOM 35 O GLU A 3 -0.769 5.867 8.989 1.00 0.00 O ATOM 36 CB GLU A 3 2.627 5.524 7.690 1.00 0.00 C ATOM 37 CG GLU A 3 3.309 6.898 7.724 1.00 0.00 C ATOM 38 CD GLU A 3 4.294 6.958 8.888 1.00 0.00 C ATOM 39 OE1 GLU A 3 4.517 5.928 9.502 1.00 0.00 O ATOM 40 OE2 GLU A 3 4.810 8.033 9.148 1.00 0.00 O ATOM 0 HA GLU A 3 1.958 5.951 9.699 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.372 4.736 7.801 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.144 5.372 6.725 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.831 7.078 6.784 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.560 7.683 7.828 1.00 0.00 H new ATOM 47 N ASN A 4 0.350 6.892 7.323 1.00 0.00 N ATOM 48 CA ASN A 4 -0.832 7.588 6.807 1.00 0.00 C ATOM 49 C ASN A 4 -1.216 7.046 5.431 1.00 0.00 C ATOM 50 O ASN A 4 -2.391 6.978 5.091 1.00 0.00 O ATOM 51 CB ASN A 4 -0.549 9.089 6.704 1.00 0.00 C ATOM 52 CG ASN A 4 -0.148 9.636 8.071 1.00 0.00 C ATOM 53 OD1 ASN A 4 -0.901 9.510 9.036 1.00 0.00 O ATOM 54 ND2 ASN A 4 1.001 10.235 8.211 1.00 0.00 N ATOM 0 H ASN A 4 1.210 7.083 6.809 1.00 0.00 H new ATOM 0 HA ASN A 4 -1.660 7.419 7.496 1.00 0.00 H new ATOM 0 HB2 ASN A 4 0.248 9.269 5.982 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -1.434 9.611 6.339 1.00 0.00 H new ATOM 0 HD21 ASN A 4 1.278 10.601 9.122 1.00 0.00 H new ATOM 0 HD22 ASN A 4 1.623 10.338 7.409 1.00 0.00 H new ATOM 61 N LEU A 5 -0.215 6.677 4.637 1.00 0.00 N ATOM 62 CA LEU A 5 -0.461 6.160 3.288 1.00 0.00 C ATOM 63 C LEU A 5 -1.544 5.079 3.292 1.00 0.00 C ATOM 64 O LEU A 5 -2.733 5.379 3.401 1.00 0.00 O ATOM 65 CB LEU A 5 0.843 5.595 2.701 1.00 0.00 C ATOM 66 CG LEU A 5 1.731 6.737 2.176 1.00 0.00 C ATOM 67 CD1 LEU A 5 1.071 7.421 0.956 1.00 0.00 C ATOM 68 CD2 LEU A 5 1.949 7.764 3.296 1.00 0.00 C ATOM 0 H LEU A 5 0.770 6.725 4.899 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.814 6.985 2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.379 5.030 3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.615 4.901 1.892 1.00 0.00 H new ATOM 0 HG LEU A 5 2.690 6.326 1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.713 8.226 0.599 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.930 6.689 0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.104 7.831 1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.578 8.575 2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.987 8.166 3.613 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.437 7.281 4.142 1.00 0.00 H new ATOM 80 N VAL A 6 -1.127 3.823 3.156 1.00 0.00 N ATOM 81 CA VAL A 6 -2.073 2.709 3.131 1.00 0.00 C ATOM 82 C VAL A 6 -3.127 2.873 4.217 1.00 0.00 C ATOM 83 O VAL A 6 -4.268 2.438 4.061 1.00 0.00 O ATOM 84 CB VAL A 6 -1.328 1.389 3.336 1.00 0.00 C ATOM 85 CG1 VAL A 6 -2.330 0.232 3.345 1.00 0.00 C ATOM 86 CG2 VAL A 6 -0.326 1.190 2.197 1.00 0.00 C ATOM 0 H VAL A 6 -0.148 3.551 3.062 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.569 2.701 2.160 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.797 1.414 4.288 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.799 -0.708 3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.044 0.375 4.156 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.862 0.204 2.394 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.206 0.250 2.341 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.857 1.164 1.245 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.388 2.014 2.192 1.00 0.00 H new ATOM 96 N VAL A 7 -2.737 3.495 5.314 1.00 0.00 N ATOM 97 CA VAL A 7 -3.651 3.708 6.425 1.00 0.00 C ATOM 98 C VAL A 7 -4.825 4.587 5.998 1.00 0.00 C ATOM 99 O VAL A 7 -5.973 4.313 6.349 1.00 0.00 O ATOM 100 CB VAL A 7 -2.912 4.368 7.591 1.00 0.00 C ATOM 101 CG1 VAL A 7 -3.903 4.659 8.723 1.00 0.00 C ATOM 102 CG2 VAL A 7 -1.796 3.437 8.099 1.00 0.00 C ATOM 0 H VAL A 7 -1.797 3.861 5.461 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.037 2.739 6.742 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.465 5.303 7.252 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.378 5.129 9.554 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.683 5.329 8.361 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.354 3.726 9.060 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.274 3.914 8.929 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.232 2.497 8.436 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.090 3.241 7.292 1.00 0.00 H new ATOM 112 N LEU A 8 -4.534 5.640 5.236 1.00 0.00 N ATOM 113 CA LEU A 8 -5.586 6.538 4.773 1.00 0.00 C ATOM 114 C LEU A 8 -6.569 5.779 3.886 1.00 0.00 C ATOM 115 O LEU A 8 -7.777 5.958 4.000 1.00 0.00 O ATOM 116 CB LEU A 8 -4.980 7.713 3.981 1.00 0.00 C ATOM 117 CG LEU A 8 -6.078 8.705 3.547 1.00 0.00 C ATOM 118 CD1 LEU A 8 -6.505 9.569 4.736 1.00 0.00 C ATOM 119 CD2 LEU A 8 -5.539 9.612 2.435 1.00 0.00 C ATOM 0 H LEU A 8 -3.593 5.889 4.931 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.112 6.930 5.643 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.240 8.228 4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.458 7.334 3.102 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.938 8.143 3.182 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.281 10.266 4.419 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.893 8.930 5.529 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.645 10.127 5.108 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.316 10.313 2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.675 10.166 2.804 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.242 9.003 1.581 1.00 0.00 H new ATOM 131 N ASN A 9 -6.038 4.945 2.994 1.00 0.00 N ATOM 132 CA ASN A 9 -6.878 4.169 2.082 1.00 0.00 C ATOM 133 C ASN A 9 -7.537 2.998 2.814 1.00 0.00 C ATOM 134 O ASN A 9 -8.665 2.613 2.509 1.00 0.00 O ATOM 135 CB ASN A 9 -6.038 3.643 0.915 1.00 0.00 C ATOM 136 CG ASN A 9 -5.733 4.773 -0.062 1.00 0.00 C ATOM 137 OD1 ASN A 9 -6.482 4.996 -1.014 1.00 0.00 O ATOM 138 ND2 ASN A 9 -4.668 5.506 0.118 1.00 0.00 N ATOM 0 H ASN A 9 -5.036 4.789 2.883 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.661 4.823 1.698 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -5.108 3.215 1.290 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -6.573 2.843 0.403 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -4.455 6.264 -0.530 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -4.048 5.320 0.907 1.00 0.00 H new ATOM 145 N ALA A 10 -6.813 2.426 3.770 1.00 0.00 N ATOM 146 CA ALA A 10 -7.333 1.293 4.531 1.00 0.00 C ATOM 147 C ALA A 10 -8.420 1.769 5.487 1.00 0.00 C ATOM 148 O ALA A 10 -9.609 1.577 5.233 1.00 0.00 O ATOM 149 CB ALA A 10 -6.200 0.628 5.312 1.00 0.00 C ATOM 0 H ALA A 10 -5.874 2.723 4.035 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.761 0.565 3.842 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.594 -0.216 5.877 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.438 0.275 4.618 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.759 1.350 5.999 1.00 0.00 H new ATOM 155 N ALA A 11 -8.010 2.370 6.598 1.00 0.00 N ATOM 156 CA ALA A 11 -8.963 2.855 7.594 1.00 0.00 C ATOM 157 C ALA A 11 -10.150 3.562 6.932 1.00 0.00 C ATOM 158 O ALA A 11 -11.178 3.794 7.568 1.00 0.00 O ATOM 159 CB ALA A 11 -8.261 3.820 8.550 1.00 0.00 C ATOM 0 H ALA A 11 -7.031 2.533 6.833 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.343 1.995 8.146 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.974 4.180 9.292 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.444 3.303 9.053 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.864 4.665 7.988 1.00 0.00 H new ATOM 165 N SER A 12 -9.999 3.900 5.656 1.00 0.00 N ATOM 166 CA SER A 12 -11.065 4.582 4.924 1.00 0.00 C ATOM 167 C SER A 12 -12.347 3.745 4.947 1.00 0.00 C ATOM 168 O SER A 12 -13.447 4.285 5.065 1.00 0.00 O ATOM 169 CB SER A 12 -10.628 4.816 3.464 1.00 0.00 C ATOM 170 OG SER A 12 -11.353 3.950 2.597 1.00 0.00 O ATOM 0 H SER A 12 -9.158 3.716 5.109 1.00 0.00 H new ATOM 0 HA SER A 12 -11.260 5.541 5.404 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.803 5.855 3.185 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.558 4.635 3.362 1.00 0.00 H new ATOM 0 HG SER A 12 -10.765 3.230 2.286 1.00 0.00 H new ATOM 176 N VAL A 13 -12.192 2.426 4.828 1.00 0.00 N ATOM 177 CA VAL A 13 -13.340 1.516 4.833 1.00 0.00 C ATOM 178 C VAL A 13 -13.588 0.971 6.242 1.00 0.00 C ATOM 179 O VAL A 13 -14.733 0.783 6.652 1.00 0.00 O ATOM 180 CB VAL A 13 -13.101 0.362 3.845 1.00 0.00 C ATOM 181 CG1 VAL A 13 -11.696 -0.216 4.046 1.00 0.00 C ATOM 182 CG2 VAL A 13 -14.141 -0.742 4.076 1.00 0.00 C ATOM 0 H VAL A 13 -11.288 1.965 4.727 1.00 0.00 H new ATOM 0 HA VAL A 13 -14.226 2.069 4.520 1.00 0.00 H new ATOM 0 HB VAL A 13 -13.193 0.743 2.828 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.535 -1.033 3.343 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.954 0.563 3.874 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -11.599 -0.590 5.065 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -13.968 -1.558 3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -14.054 -1.117 5.096 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -15.141 -0.337 3.923 1.00 0.00 H new ATOM 192 N ALA A 14 -12.508 0.703 6.967 1.00 0.00 N ATOM 193 CA ALA A 14 -12.623 0.161 8.316 1.00 0.00 C ATOM 194 C ALA A 14 -13.663 0.937 9.120 1.00 0.00 C ATOM 195 O ALA A 14 -14.408 0.358 9.909 1.00 0.00 O ATOM 196 CB ALA A 14 -11.268 0.229 9.027 1.00 0.00 C ATOM 0 H ALA A 14 -11.551 0.850 6.647 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.941 -0.879 8.242 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.364 -0.178 10.034 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.535 -0.353 8.469 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.939 1.267 9.085 1.00 0.00 H new ATOM 202 N GLY A 15 -13.708 2.254 8.915 1.00 0.00 N ATOM 203 CA GLY A 15 -14.660 3.109 9.628 1.00 0.00 C ATOM 204 C GLY A 15 -13.945 3.967 10.661 1.00 0.00 C ATOM 205 O GLY A 15 -14.461 5.005 11.080 1.00 0.00 O ATOM 0 H GLY A 15 -13.100 2.751 8.264 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.185 3.748 8.918 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -15.413 2.492 10.119 1.00 0.00 H new ATOM 209 N ALA A 16 -12.760 3.532 11.070 1.00 0.00 N ATOM 210 CA ALA A 16 -11.990 4.276 12.058 1.00 0.00 C ATOM 211 C ALA A 16 -11.754 5.703 11.586 1.00 0.00 C ATOM 212 O ALA A 16 -12.017 6.657 12.316 1.00 0.00 O ATOM 213 CB ALA A 16 -10.644 3.589 12.294 1.00 0.00 C ATOM 0 H ALA A 16 -12.315 2.677 10.737 1.00 0.00 H new ATOM 0 HA ALA A 16 -12.556 4.300 12.989 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -10.074 4.151 13.034 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.812 2.575 12.658 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.086 3.551 11.358 1.00 0.00 H new ATOM 219 N HIS A 17 -11.263 5.845 10.354 1.00 0.00 N ATOM 220 CA HIS A 17 -11.000 7.162 9.775 1.00 0.00 C ATOM 221 C HIS A 17 -12.124 7.544 8.819 1.00 0.00 C ATOM 222 O HIS A 17 -11.997 8.497 8.053 1.00 0.00 O ATOM 223 CB HIS A 17 -9.666 7.155 9.016 1.00 0.00 C ATOM 224 CG HIS A 17 -8.524 7.162 9.995 1.00 0.00 C ATOM 225 ND1 HIS A 17 -8.108 6.016 10.657 1.00 0.00 N ATOM 226 CD2 HIS A 17 -7.704 8.169 10.440 1.00 0.00 C ATOM 227 CE1 HIS A 17 -7.082 6.358 11.456 1.00 0.00 C ATOM 228 NE2 HIS A 17 -6.794 7.660 11.362 1.00 0.00 N ATOM 0 H HIS A 17 -11.040 5.063 9.738 1.00 0.00 H new ATOM 0 HA HIS A 17 -10.946 7.891 10.584 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -9.605 6.274 8.378 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -9.603 8.026 8.364 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.757 9.200 10.123 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -6.555 5.665 12.096 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.064 8.171 11.859 1.00 0.00 H new ATOM 236 N GLY A 18 -13.222 6.790 8.869 1.00 0.00 N ATOM 237 CA GLY A 18 -14.366 7.060 7.999 1.00 0.00 C ATOM 238 C GLY A 18 -15.027 8.375 8.381 1.00 0.00 C ATOM 239 O GLY A 18 -15.294 9.220 7.526 1.00 0.00 O ATOM 0 H GLY A 18 -13.343 5.995 9.496 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -14.039 7.099 6.960 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -15.088 6.247 8.076 1.00 0.00 H new ATOM 243 N ILE A 19 -15.281 8.540 9.672 1.00 0.00 N ATOM 244 CA ILE A 19 -15.902 9.757 10.171 1.00 0.00 C ATOM 245 C ILE A 19 -14.954 10.947 10.010 1.00 0.00 C ATOM 246 O ILE A 19 -15.389 12.071 9.761 1.00 0.00 O ATOM 247 CB ILE A 19 -16.288 9.577 11.647 1.00 0.00 C ATOM 248 CG1 ILE A 19 -16.776 10.927 12.197 1.00 0.00 C ATOM 249 CG2 ILE A 19 -15.076 9.055 12.466 1.00 0.00 C ATOM 250 CD1 ILE A 19 -17.499 10.712 13.527 1.00 0.00 C ATOM 0 H ILE A 19 -15.067 7.848 10.390 1.00 0.00 H new ATOM 0 HA ILE A 19 -16.803 9.956 9.591 1.00 0.00 H new ATOM 0 HB ILE A 19 -17.087 8.840 11.732 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -15.930 11.601 12.337 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -17.446 11.401 11.480 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -15.367 8.933 13.509 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -14.753 8.094 12.065 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -14.256 9.771 12.399 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -17.843 11.671 13.913 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -18.355 10.054 13.374 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -16.815 10.257 14.243 1.00 0.00 H new ATOM 262 N LEU A 20 -13.658 10.684 10.154 1.00 0.00 N ATOM 263 CA LEU A 20 -12.647 11.733 10.015 1.00 0.00 C ATOM 264 C LEU A 20 -12.389 12.043 8.539 1.00 0.00 C ATOM 265 O LEU A 20 -11.961 13.144 8.193 1.00 0.00 O ATOM 266 CB LEU A 20 -11.337 11.316 10.717 1.00 0.00 C ATOM 267 CG LEU A 20 -11.347 11.739 12.197 1.00 0.00 C ATOM 268 CD1 LEU A 20 -11.417 13.275 12.318 1.00 0.00 C ATOM 269 CD2 LEU A 20 -12.548 11.108 12.904 1.00 0.00 C ATOM 0 H LEU A 20 -13.283 9.760 10.366 1.00 0.00 H new ATOM 0 HA LEU A 20 -13.023 12.637 10.493 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.209 10.236 10.644 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.487 11.773 10.210 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.426 11.394 12.667 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.423 13.557 13.371 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.550 13.718 11.829 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -12.328 13.636 11.840 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.553 11.409 13.952 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -13.469 11.443 12.426 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -12.479 10.022 12.839 1.00 0.00 H new ATOM 281 N SER A 21 -12.639 11.063 7.679 1.00 0.00 N ATOM 282 CA SER A 21 -12.418 11.242 6.247 1.00 0.00 C ATOM 283 C SER A 21 -13.253 12.397 5.708 1.00 0.00 C ATOM 284 O SER A 21 -12.767 13.203 4.923 1.00 0.00 O ATOM 285 CB SER A 21 -12.781 9.960 5.496 1.00 0.00 C ATOM 286 OG SER A 21 -12.574 10.156 4.103 1.00 0.00 O ATOM 0 H SER A 21 -12.992 10.143 7.944 1.00 0.00 H new ATOM 0 HA SER A 21 -11.363 11.470 6.094 1.00 0.00 H new ATOM 0 HB2 SER A 21 -12.170 9.131 5.853 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.821 9.695 5.687 1.00 0.00 H new ATOM 0 HG SER A 21 -12.804 9.335 3.619 1.00 0.00 H new ATOM 292 N PHE A 22 -14.509 12.472 6.131 1.00 0.00 N ATOM 293 CA PHE A 22 -15.401 13.536 5.674 1.00 0.00 C ATOM 294 C PHE A 22 -14.875 14.908 6.096 1.00 0.00 C ATOM 295 O PHE A 22 -15.103 15.902 5.413 1.00 0.00 O ATOM 296 CB PHE A 22 -16.806 13.328 6.242 1.00 0.00 C ATOM 297 CG PHE A 22 -17.336 11.974 5.810 1.00 0.00 C ATOM 298 CD1 PHE A 22 -17.519 11.687 4.452 1.00 0.00 C ATOM 299 CD2 PHE A 22 -17.636 11.007 6.777 1.00 0.00 C ATOM 300 CE1 PHE A 22 -18.001 10.432 4.061 1.00 0.00 C ATOM 301 CE2 PHE A 22 -18.118 9.752 6.385 1.00 0.00 C ATOM 302 CZ PHE A 22 -18.300 9.465 5.027 1.00 0.00 C ATOM 0 H PHE A 22 -14.933 11.814 6.785 1.00 0.00 H new ATOM 0 HA PHE A 22 -15.442 13.498 4.585 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -16.782 13.390 7.330 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -17.471 14.118 5.893 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -17.288 12.433 3.706 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -17.496 11.229 7.825 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -18.142 10.210 3.013 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -18.349 9.005 7.130 1.00 0.00 H new ATOM 0 HZ PHE A 22 -18.671 8.497 4.725 1.00 0.00 H new ATOM 312 N LEU A 23 -14.191 14.966 7.232 1.00 0.00 N ATOM 313 CA LEU A 23 -13.673 16.238 7.730 1.00 0.00 C ATOM 314 C LEU A 23 -12.933 16.986 6.616 1.00 0.00 C ATOM 315 O LEU A 23 -13.038 18.207 6.502 1.00 0.00 O ATOM 316 CB LEU A 23 -12.713 15.973 8.911 1.00 0.00 C ATOM 317 CG LEU A 23 -12.786 17.123 9.927 1.00 0.00 C ATOM 318 CD1 LEU A 23 -11.796 16.863 11.068 1.00 0.00 C ATOM 319 CD2 LEU A 23 -12.443 18.453 9.238 1.00 0.00 C ATOM 0 H LEU A 23 -13.983 14.159 7.821 1.00 0.00 H new ATOM 0 HA LEU A 23 -14.507 16.854 8.067 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -12.974 15.033 9.397 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.693 15.869 8.542 1.00 0.00 H new ATOM 0 HG LEU A 23 -13.797 17.181 10.330 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -11.848 17.679 11.788 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -12.049 15.925 11.563 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.785 16.799 10.665 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -12.497 19.264 9.965 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -11.435 18.400 8.827 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -13.154 18.640 8.433 1.00 0.00 H new ATOM 331 N VAL A 24 -12.186 16.251 5.801 1.00 0.00 N ATOM 332 CA VAL A 24 -11.440 16.868 4.709 1.00 0.00 C ATOM 333 C VAL A 24 -12.402 17.513 3.708 1.00 0.00 C ATOM 334 O VAL A 24 -12.084 18.529 3.090 1.00 0.00 O ATOM 335 CB VAL A 24 -10.558 15.813 4.007 1.00 0.00 C ATOM 336 CG1 VAL A 24 -11.376 15.037 2.962 1.00 0.00 C ATOM 337 CG2 VAL A 24 -9.378 16.502 3.309 1.00 0.00 C ATOM 0 H VAL A 24 -12.080 15.239 5.873 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.795 17.645 5.118 1.00 0.00 H new ATOM 0 HB VAL A 24 -10.188 15.118 4.760 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.739 14.298 2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -12.208 14.533 3.453 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.762 15.730 2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.759 15.753 2.815 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.755 17.207 2.568 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.780 17.037 4.047 1.00 0.00 H new ATOM 347 N PHE A 25 -13.573 16.901 3.547 1.00 0.00 N ATOM 348 CA PHE A 25 -14.575 17.409 2.617 1.00 0.00 C ATOM 349 C PHE A 25 -15.071 18.786 3.046 1.00 0.00 C ATOM 350 O PHE A 25 -15.332 19.647 2.206 1.00 0.00 O ATOM 351 CB PHE A 25 -15.757 16.441 2.521 1.00 0.00 C ATOM 352 CG PHE A 25 -16.730 16.935 1.477 1.00 0.00 C ATOM 353 CD1 PHE A 25 -16.487 16.691 0.119 1.00 0.00 C ATOM 354 CD2 PHE A 25 -17.880 17.632 1.867 1.00 0.00 C ATOM 355 CE1 PHE A 25 -17.392 17.145 -0.847 1.00 0.00 C ATOM 356 CE2 PHE A 25 -18.785 18.087 0.901 1.00 0.00 C ATOM 357 CZ PHE A 25 -18.541 17.843 -0.456 1.00 0.00 C ATOM 0 H PHE A 25 -13.849 16.056 4.047 1.00 0.00 H new ATOM 0 HA PHE A 25 -14.106 17.498 1.637 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -15.403 15.443 2.261 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -16.254 16.361 3.488 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -15.601 16.152 -0.182 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -18.069 17.819 2.914 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -17.204 16.957 -1.894 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -19.671 18.626 1.202 1.00 0.00 H new ATOM 0 HZ PHE A 25 -19.239 18.193 -1.201 1.00 0.00 H new ATOM 367 N PHE A 26 -15.208 18.988 4.358 1.00 0.00 N ATOM 368 CA PHE A 26 -15.685 20.266 4.876 1.00 0.00 C ATOM 369 C PHE A 26 -14.802 21.413 4.385 1.00 0.00 C ATOM 370 O PHE A 26 -15.305 22.463 3.984 1.00 0.00 O ATOM 371 CB PHE A 26 -15.705 20.232 6.427 1.00 0.00 C ATOM 372 CG PHE A 26 -17.113 20.004 6.940 1.00 0.00 C ATOM 373 CD1 PHE A 26 -17.958 21.102 7.134 1.00 0.00 C ATOM 374 CD2 PHE A 26 -17.574 18.710 7.211 1.00 0.00 C ATOM 375 CE1 PHE A 26 -19.264 20.910 7.597 1.00 0.00 C ATOM 376 CE2 PHE A 26 -18.881 18.516 7.675 1.00 0.00 C ATOM 377 CZ PHE A 26 -19.727 19.615 7.868 1.00 0.00 C ATOM 0 H PHE A 26 -14.998 18.290 5.072 1.00 0.00 H new ATOM 0 HA PHE A 26 -16.698 20.433 4.509 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -15.049 19.439 6.787 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -15.317 21.171 6.821 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -17.601 22.100 6.926 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -16.922 17.862 7.062 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -19.915 21.759 7.746 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -19.237 17.518 7.884 1.00 0.00 H new ATOM 0 HZ PHE A 26 -20.735 19.465 8.225 1.00 0.00 H new ATOM 387 N SER A 27 -13.489 21.214 4.425 1.00 0.00 N ATOM 388 CA SER A 27 -12.562 22.255 3.991 1.00 0.00 C ATOM 389 C SER A 27 -13.035 22.880 2.683 1.00 0.00 C ATOM 390 O SER A 27 -13.034 24.103 2.536 1.00 0.00 O ATOM 391 CB SER A 27 -11.171 21.652 3.791 1.00 0.00 C ATOM 392 OG SER A 27 -10.365 22.567 3.061 1.00 0.00 O ATOM 0 H SER A 27 -13.046 20.354 4.749 1.00 0.00 H new ATOM 0 HA SER A 27 -12.523 23.029 4.758 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.713 21.436 4.756 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.245 20.706 3.254 1.00 0.00 H new ATOM 0 HG SER A 27 -9.472 22.185 2.932 1.00 0.00 H new ATOM 398 N ALA A 28 -13.442 22.037 1.737 1.00 0.00 N ATOM 399 CA ALA A 28 -13.926 22.522 0.448 1.00 0.00 C ATOM 400 C ALA A 28 -15.397 22.936 0.536 1.00 0.00 C ATOM 401 O ALA A 28 -15.808 23.928 -0.058 1.00 0.00 O ATOM 402 CB ALA A 28 -13.759 21.435 -0.614 1.00 0.00 C ATOM 0 H ALA A 28 -13.446 21.022 1.838 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.337 23.396 0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.122 21.804 -1.573 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.705 21.172 -0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -14.330 20.553 -0.325 1.00 0.00 H new ATOM 408 N ALA A 29 -16.188 22.166 1.276 1.00 0.00 N ATOM 409 CA ALA A 29 -17.614 22.463 1.416 1.00 0.00 C ATOM 410 C ALA A 29 -17.841 23.929 1.793 1.00 0.00 C ATOM 411 O ALA A 29 -18.810 24.547 1.350 1.00 0.00 O ATOM 412 CB ALA A 29 -18.230 21.555 2.489 1.00 0.00 C ATOM 0 H ALA A 29 -15.873 21.340 1.784 1.00 0.00 H new ATOM 0 HA ALA A 29 -18.094 22.279 0.455 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -19.292 21.780 2.590 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -18.106 20.512 2.198 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -17.730 21.728 3.442 1.00 0.00 H new ATOM 418 N TRP A 30 -16.949 24.475 2.610 1.00 0.00 N ATOM 419 CA TRP A 30 -17.069 25.865 3.040 1.00 0.00 C ATOM 420 C TRP A 30 -17.058 26.814 1.844 1.00 0.00 C ATOM 421 O TRP A 30 -17.716 27.856 1.863 1.00 0.00 O ATOM 422 CB TRP A 30 -15.916 26.224 3.983 1.00 0.00 C ATOM 423 CG TRP A 30 -16.114 25.548 5.302 1.00 0.00 C ATOM 424 CD1 TRP A 30 -15.297 24.604 5.820 1.00 0.00 C ATOM 425 CD2 TRP A 30 -17.182 25.742 6.275 1.00 0.00 C ATOM 426 NE1 TRP A 30 -15.793 24.207 7.050 1.00 0.00 N ATOM 427 CE2 TRP A 30 -16.954 24.880 7.374 1.00 0.00 C ATOM 428 CE3 TRP A 30 -18.314 26.576 6.310 1.00 0.00 C ATOM 429 CZ2 TRP A 30 -17.819 24.845 8.468 1.00 0.00 C ATOM 430 CZ3 TRP A 30 -19.188 26.543 7.411 1.00 0.00 C ATOM 431 CH2 TRP A 30 -18.940 25.680 8.488 1.00 0.00 C ATOM 0 H TRP A 30 -16.139 23.982 2.987 1.00 0.00 H new ATOM 0 HA TRP A 30 -18.020 25.974 3.562 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -14.966 25.917 3.545 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -15.869 27.304 4.121 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -14.403 24.222 5.351 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -15.354 23.503 7.644 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -18.513 27.246 5.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -17.624 24.177 9.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -20.055 27.186 7.427 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -19.614 25.660 9.332 1.00 0.00 H new ATOM 442 N TYR A 31 -16.311 26.451 0.808 1.00 0.00 N ATOM 443 CA TYR A 31 -16.228 27.284 -0.389 1.00 0.00 C ATOM 444 C TYR A 31 -17.577 27.332 -1.103 1.00 0.00 C ATOM 445 O TYR A 31 -18.034 28.398 -1.516 1.00 0.00 O ATOM 446 CB TYR A 31 -15.157 26.735 -1.335 1.00 0.00 C ATOM 447 CG TYR A 31 -13.784 26.989 -0.748 1.00 0.00 C ATOM 448 CD1 TYR A 31 -13.375 26.295 0.398 1.00 0.00 C ATOM 449 CD2 TYR A 31 -12.925 27.915 -1.350 1.00 0.00 C ATOM 450 CE1 TYR A 31 -12.107 26.528 0.941 1.00 0.00 C ATOM 451 CE2 TYR A 31 -11.655 28.149 -0.805 1.00 0.00 C ATOM 452 CZ TYR A 31 -11.246 27.455 0.340 1.00 0.00 C ATOM 453 OH TYR A 31 -9.996 27.685 0.876 1.00 0.00 O ATOM 0 H TYR A 31 -15.759 25.594 0.770 1.00 0.00 H new ATOM 0 HA TYR A 31 -15.957 28.296 -0.089 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -15.306 25.666 -1.489 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -15.240 27.212 -2.311 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -14.038 25.580 0.862 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -13.240 28.449 -2.234 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.792 25.993 1.824 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -10.992 28.865 -1.268 1.00 0.00 H new ATOM 0 HH TYR A 31 -9.527 28.356 0.337 1.00 0.00 H new ATOM 463 N ILE A 32 -18.214 26.172 -1.243 1.00 0.00 N ATOM 464 CA ILE A 32 -19.507 26.092 -1.919 1.00 0.00 C ATOM 465 C ILE A 32 -20.547 26.955 -1.211 1.00 0.00 C ATOM 466 O ILE A 32 -21.300 27.684 -1.858 1.00 0.00 O ATOM 467 CB ILE A 32 -19.995 24.643 -1.938 1.00 0.00 C ATOM 468 CG1 ILE A 32 -18.931 23.752 -2.583 1.00 0.00 C ATOM 469 CG2 ILE A 32 -21.295 24.553 -2.742 1.00 0.00 C ATOM 470 CD1 ILE A 32 -19.318 22.281 -2.407 1.00 0.00 C ATOM 0 H ILE A 32 -17.859 25.279 -0.900 1.00 0.00 H new ATOM 0 HA ILE A 32 -19.378 26.457 -2.938 1.00 0.00 H new ATOM 0 HB ILE A 32 -20.176 24.308 -0.917 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -18.837 23.990 -3.643 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -17.959 23.940 -2.127 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -21.643 23.520 -2.756 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -22.053 25.186 -2.280 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -21.115 24.889 -3.763 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -18.559 21.648 -2.867 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -19.390 22.048 -1.345 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -20.281 22.098 -2.884 1.00 0.00 H new ATOM 482 N LYS A 33 -20.584 26.882 0.113 1.00 0.00 N ATOM 483 CA LYS A 33 -21.538 27.672 0.882 1.00 0.00 C ATOM 484 C LYS A 33 -21.197 29.159 0.828 1.00 0.00 C ATOM 485 O LYS A 33 -21.989 29.968 0.345 1.00 0.00 O ATOM 486 CB LYS A 33 -21.535 27.194 2.337 1.00 0.00 C ATOM 487 CG LYS A 33 -22.502 28.046 3.162 1.00 0.00 C ATOM 488 CD LYS A 33 -22.674 27.431 4.552 1.00 0.00 C ATOM 489 CE LYS A 33 -23.647 28.282 5.367 1.00 0.00 C ATOM 490 NZ LYS A 33 -23.860 27.653 6.703 1.00 0.00 N ATOM 0 H LYS A 33 -19.971 26.290 0.673 1.00 0.00 H new ATOM 0 HA LYS A 33 -22.528 27.537 0.446 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -21.827 26.145 2.386 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -20.529 27.264 2.751 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -22.122 29.064 3.249 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -23.467 28.108 2.659 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -23.049 26.411 4.467 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -21.711 27.375 5.059 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -23.252 29.291 5.487 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -24.597 28.372 4.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -24.522 28.232 7.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -24.255 26.699 6.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -22.952 27.589 7.205 1.00 0.00 H new ATOM 504 N GLY A 34 -20.011 29.502 1.310 1.00 0.00 N ATOM 505 CA GLY A 34 -19.563 30.895 1.305 1.00 0.00 C ATOM 506 C GLY A 34 -20.550 31.813 2.041 1.00 0.00 C ATOM 507 O GLY A 34 -20.232 32.967 2.329 1.00 0.00 O ATOM 0 H GLY A 34 -19.342 28.843 1.708 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -18.582 30.963 1.776 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.447 31.236 0.276 1.00 0.00 H new ATOM 511 N ARG A 35 -21.744 31.300 2.342 1.00 0.00 N ATOM 512 CA ARG A 35 -22.762 32.084 3.036 1.00 0.00 C ATOM 513 C ARG A 35 -22.387 32.290 4.498 1.00 0.00 C ATOM 514 O ARG A 35 -23.239 32.588 5.336 1.00 0.00 O ATOM 515 CB ARG A 35 -24.115 31.364 2.947 1.00 0.00 C ATOM 516 CG ARG A 35 -24.598 31.302 1.472 1.00 0.00 C ATOM 517 CD ARG A 35 -25.740 32.302 1.244 1.00 0.00 C ATOM 518 NE ARG A 35 -25.271 33.662 1.494 1.00 0.00 N ATOM 519 CZ ARG A 35 -26.127 34.667 1.642 1.00 0.00 C ATOM 520 NH1 ARG A 35 -27.412 34.449 1.561 1.00 0.00 N ATOM 521 NH2 ARG A 35 -25.685 35.874 1.868 1.00 0.00 N ATOM 0 H ARG A 35 -22.028 30.347 2.116 1.00 0.00 H new ATOM 0 HA ARG A 35 -22.832 33.061 2.557 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -24.025 30.355 3.350 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -24.853 31.886 3.557 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -23.769 31.527 0.801 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -24.936 30.293 1.235 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -26.109 32.218 0.222 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -26.575 32.069 1.905 1.00 0.00 H new ATOM 0 HE ARG A 35 -24.269 33.843 1.556 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -27.759 33.506 1.384 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -28.068 35.221 1.675 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -24.682 36.046 1.931 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -26.343 36.645 1.981 1.00 0.00 H new ATOM 535 N LEU A 36 -21.098 32.141 4.800 1.00 0.00 N ATOM 536 CA LEU A 36 -20.599 32.327 6.164 1.00 0.00 C ATOM 537 C LEU A 36 -19.384 33.242 6.155 1.00 0.00 C ATOM 538 O LEU A 36 -18.395 32.972 5.475 1.00 0.00 O ATOM 539 CB LEU A 36 -20.235 30.972 6.784 1.00 0.00 C ATOM 540 CG LEU A 36 -19.835 31.152 8.256 1.00 0.00 C ATOM 541 CD1 LEU A 36 -21.018 31.715 9.067 1.00 0.00 C ATOM 542 CD2 LEU A 36 -19.413 29.793 8.833 1.00 0.00 C ATOM 0 H LEU A 36 -20.380 31.892 4.120 1.00 0.00 H new ATOM 0 HA LEU A 36 -21.383 32.788 6.765 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -21.083 30.291 6.711 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -19.413 30.519 6.229 1.00 0.00 H new ATOM 0 HG LEU A 36 -19.004 31.855 8.318 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -20.720 31.837 10.108 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -21.312 32.681 8.658 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -21.860 31.025 9.009 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -19.128 29.914 9.878 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -20.246 29.093 8.763 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -18.565 29.405 8.268 1.00 0.00 H new ATOM 554 N ALA A 37 -19.463 34.327 6.919 1.00 0.00 N ATOM 555 CA ALA A 37 -18.361 35.273 6.992 1.00 0.00 C ATOM 556 C ALA A 37 -17.148 34.607 7.647 1.00 0.00 C ATOM 557 O ALA A 37 -17.285 33.610 8.356 1.00 0.00 O ATOM 558 CB ALA A 37 -18.793 36.524 7.797 1.00 0.00 C ATOM 0 H ALA A 37 -20.272 34.570 7.491 1.00 0.00 H new ATOM 0 HA ALA A 37 -18.087 35.585 5.984 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -17.963 37.229 7.848 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -19.642 36.998 7.304 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -19.079 36.227 8.806 1.00 0.00 H new ATOM 564 N PRO A 38 -15.976 35.149 7.433 1.00 0.00 N ATOM 565 CA PRO A 38 -14.721 34.603 8.024 1.00 0.00 C ATOM 566 C PRO A 38 -14.721 34.725 9.551 1.00 0.00 C ATOM 567 O PRO A 38 -15.208 33.835 10.244 1.00 0.00 O ATOM 568 CB PRO A 38 -13.609 35.459 7.383 1.00 0.00 C ATOM 569 CG PRO A 38 -14.289 36.726 6.962 1.00 0.00 C ATOM 570 CD PRO A 38 -15.719 36.336 6.602 1.00 0.00 C ATOM 0 HA PRO A 38 -14.592 33.539 7.827 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.806 35.659 8.093 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.161 34.949 6.530 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.276 37.462 7.766 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.781 37.177 6.109 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -16.421 37.140 6.824 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -15.817 36.110 5.540 1.00 0.00 H new ATOM 578 N GLY A 39 -14.175 35.831 10.054 1.00 0.00 N ATOM 579 CA GLY A 39 -14.115 36.072 11.497 1.00 0.00 C ATOM 580 C GLY A 39 -13.544 34.867 12.244 1.00 0.00 C ATOM 581 O GLY A 39 -12.367 34.844 12.605 1.00 0.00 O ATOM 0 H GLY A 39 -13.768 36.574 9.486 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.499 36.949 11.695 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -15.114 36.293 11.872 1.00 0.00 H new ATOM 585 N ALA A 40 -14.386 33.860 12.455 1.00 0.00 N ATOM 586 CA ALA A 40 -13.966 32.645 13.143 1.00 0.00 C ATOM 587 C ALA A 40 -12.972 31.867 12.288 1.00 0.00 C ATOM 588 O ALA A 40 -12.160 31.104 12.803 1.00 0.00 O ATOM 589 CB ALA A 40 -15.177 31.762 13.447 1.00 0.00 C ATOM 0 H ALA A 40 -15.362 33.862 12.160 1.00 0.00 H new ATOM 0 HA ALA A 40 -13.486 32.931 14.079 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -14.849 30.858 13.961 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -15.875 32.307 14.082 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -15.672 31.490 12.515 1.00 0.00 H new ATOM 595 N ALA A 41 -13.045 32.069 10.977 1.00 0.00 N ATOM 596 CA ALA A 41 -12.146 31.379 10.058 1.00 0.00 C ATOM 597 C ALA A 41 -10.746 31.965 10.146 1.00 0.00 C ATOM 598 O ALA A 41 -9.794 31.411 9.596 1.00 0.00 O ATOM 599 CB ALA A 41 -12.657 31.507 8.624 1.00 0.00 C ATOM 0 H ALA A 41 -13.711 32.699 10.529 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.113 30.326 10.338 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.978 30.988 7.948 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -13.650 31.064 8.551 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.708 32.560 8.349 1.00 0.00 H new ATOM 605 N TYR A 42 -10.628 33.093 10.837 1.00 0.00 N ATOM 606 CA TYR A 42 -9.340 33.748 10.989 1.00 0.00 C ATOM 607 C TYR A 42 -8.385 32.863 11.782 1.00 0.00 C ATOM 608 O TYR A 42 -7.431 32.318 11.230 1.00 0.00 O ATOM 609 CB TYR A 42 -9.514 35.087 11.709 1.00 0.00 C ATOM 610 CG TYR A 42 -8.166 35.740 11.889 1.00 0.00 C ATOM 611 CD1 TYR A 42 -7.572 36.425 10.822 1.00 0.00 C ATOM 612 CD2 TYR A 42 -7.506 35.659 13.121 1.00 0.00 C ATOM 613 CE1 TYR A 42 -6.321 37.030 10.986 1.00 0.00 C ATOM 614 CE2 TYR A 42 -6.254 36.264 13.287 1.00 0.00 C ATOM 615 CZ TYR A 42 -5.662 36.949 12.219 1.00 0.00 C ATOM 616 OH TYR A 42 -4.428 37.546 12.381 1.00 0.00 O ATOM 0 H TYR A 42 -11.404 33.568 11.297 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.922 33.923 9.998 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -10.172 35.739 11.134 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -9.987 34.932 12.679 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -8.080 36.486 9.871 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -7.963 35.130 13.944 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -5.864 37.559 10.163 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -5.746 36.202 14.238 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.110 37.397 13.296 1.00 0.00 H new ATOM 626 N ALA A 43 -8.648 32.732 13.081 1.00 0.00 N ATOM 627 CA ALA A 43 -7.801 31.913 13.942 1.00 0.00 C ATOM 628 C ALA A 43 -8.131 30.432 13.778 1.00 0.00 C ATOM 629 O ALA A 43 -7.390 29.711 13.109 1.00 0.00 O ATOM 630 CB ALA A 43 -7.981 32.332 15.403 1.00 0.00 C ATOM 0 H ALA A 43 -9.433 33.178 13.556 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.762 32.067 13.650 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.345 31.716 16.039 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.703 33.380 15.518 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.023 32.199 15.694 1.00 0.00 H new ATOM 636 N PHE A 44 -9.236 29.989 14.401 1.00 0.00 N ATOM 637 CA PHE A 44 -9.663 28.579 14.344 1.00 0.00 C ATOM 638 C PHE A 44 -9.100 27.861 13.118 1.00 0.00 C ATOM 639 O PHE A 44 -8.012 27.299 13.177 1.00 0.00 O ATOM 640 CB PHE A 44 -11.191 28.496 14.309 1.00 0.00 C ATOM 641 CG PHE A 44 -11.613 27.046 14.345 1.00 0.00 C ATOM 642 CD1 PHE A 44 -11.524 26.326 15.542 1.00 0.00 C ATOM 643 CD2 PHE A 44 -12.092 26.421 13.187 1.00 0.00 C ATOM 644 CE1 PHE A 44 -11.915 24.982 15.582 1.00 0.00 C ATOM 645 CE2 PHE A 44 -12.483 25.077 13.227 1.00 0.00 C ATOM 646 CZ PHE A 44 -12.396 24.358 14.424 1.00 0.00 C ATOM 0 H PHE A 44 -9.852 30.588 14.951 1.00 0.00 H new ATOM 0 HA PHE A 44 -9.277 28.088 15.237 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -11.615 29.031 15.158 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.572 28.975 13.407 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -11.154 26.807 16.435 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -12.160 26.976 12.263 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -11.846 24.427 16.506 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -12.852 24.595 12.334 1.00 0.00 H new ATOM 0 HZ PHE A 44 -12.700 23.322 14.455 1.00 0.00 H new ATOM 656 N TYR A 45 -9.832 27.898 12.009 1.00 0.00 N ATOM 657 CA TYR A 45 -9.376 27.247 10.787 1.00 0.00 C ATOM 658 C TYR A 45 -7.961 27.715 10.433 1.00 0.00 C ATOM 659 O TYR A 45 -7.194 26.974 9.819 1.00 0.00 O ATOM 660 CB TYR A 45 -10.364 27.562 9.627 1.00 0.00 C ATOM 661 CG TYR A 45 -11.006 26.288 9.109 1.00 0.00 C ATOM 662 CD1 TYR A 45 -10.246 25.401 8.333 1.00 0.00 C ATOM 663 CD2 TYR A 45 -12.340 25.989 9.408 1.00 0.00 C ATOM 664 CE1 TYR A 45 -10.824 24.219 7.858 1.00 0.00 C ATOM 665 CE2 TYR A 45 -12.916 24.805 8.933 1.00 0.00 C ATOM 666 CZ TYR A 45 -12.158 23.921 8.156 1.00 0.00 C ATOM 667 OH TYR A 45 -12.726 22.753 7.687 1.00 0.00 O ATOM 0 H TYR A 45 -10.734 28.367 11.931 1.00 0.00 H new ATOM 0 HA TYR A 45 -9.349 26.169 10.943 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -11.136 28.248 9.976 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.834 28.063 8.817 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.216 25.630 8.102 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -12.925 26.672 10.006 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.239 23.535 7.260 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -13.945 24.574 9.166 1.00 0.00 H new ATOM 0 HH TYR A 45 -13.561 22.579 8.169 1.00 0.00 H new ATOM 677 N GLY A 46 -7.627 28.941 10.817 1.00 0.00 N ATOM 678 CA GLY A 46 -6.308 29.487 10.527 1.00 0.00 C ATOM 679 C GLY A 46 -5.209 28.474 10.834 1.00 0.00 C ATOM 680 O GLY A 46 -4.064 28.644 10.419 1.00 0.00 O ATOM 0 H GLY A 46 -8.246 29.572 11.326 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.255 29.778 9.478 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.148 30.390 11.116 1.00 0.00 H new ATOM 684 N VAL A 47 -5.564 27.421 11.571 1.00 0.00 N ATOM 685 CA VAL A 47 -4.600 26.379 11.939 1.00 0.00 C ATOM 686 C VAL A 47 -4.783 25.142 11.062 1.00 0.00 C ATOM 687 O VAL A 47 -5.034 24.045 11.559 1.00 0.00 O ATOM 688 CB VAL A 47 -4.788 25.999 13.414 1.00 0.00 C ATOM 689 CG1 VAL A 47 -4.764 27.272 14.271 1.00 0.00 C ATOM 690 CG2 VAL A 47 -6.132 25.249 13.608 1.00 0.00 C ATOM 0 H VAL A 47 -6.508 27.266 11.925 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.593 26.767 11.787 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.978 25.339 13.723 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.897 27.007 15.320 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.807 27.779 14.143 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.570 27.936 13.959 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.253 24.985 14.659 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.956 25.892 13.298 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.133 24.342 13.004 1.00 0.00 H new ATOM 700 N TRP A 48 -4.638 25.326 9.755 1.00 0.00 N ATOM 701 CA TRP A 48 -4.773 24.219 8.811 1.00 0.00 C ATOM 702 C TRP A 48 -3.631 23.199 8.998 1.00 0.00 C ATOM 703 O TRP A 48 -3.887 22.016 9.211 1.00 0.00 O ATOM 704 CB TRP A 48 -4.773 24.761 7.352 1.00 0.00 C ATOM 705 CG TRP A 48 -6.117 24.562 6.711 1.00 0.00 C ATOM 706 CD1 TRP A 48 -6.600 23.371 6.287 1.00 0.00 C ATOM 707 CD2 TRP A 48 -7.151 25.548 6.424 1.00 0.00 C ATOM 708 NE1 TRP A 48 -7.863 23.563 5.759 1.00 0.00 N ATOM 709 CE2 TRP A 48 -8.247 24.889 5.821 1.00 0.00 C ATOM 710 CE3 TRP A 48 -7.242 26.936 6.627 1.00 0.00 C ATOM 711 CZ2 TRP A 48 -9.395 25.581 5.432 1.00 0.00 C ATOM 712 CZ3 TRP A 48 -8.396 27.638 6.238 1.00 0.00 C ATOM 713 CH2 TRP A 48 -9.469 26.962 5.642 1.00 0.00 C ATOM 0 H TRP A 48 -4.428 26.226 9.324 1.00 0.00 H new ATOM 0 HA TRP A 48 -5.719 23.714 9.004 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -4.518 25.821 7.353 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -4.007 24.249 6.769 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -6.083 22.425 6.351 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -8.441 22.817 5.371 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -6.420 27.466 7.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -10.219 25.055 4.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -8.456 28.704 6.399 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -10.353 27.507 5.345 1.00 0.00 H new ATOM 724 N PRO A 49 -2.389 23.632 8.903 1.00 0.00 N ATOM 725 CA PRO A 49 -1.201 22.722 9.043 1.00 0.00 C ATOM 726 C PRO A 49 -1.136 22.057 10.420 1.00 0.00 C ATOM 727 O PRO A 49 -0.424 21.070 10.606 1.00 0.00 O ATOM 728 CB PRO A 49 0.017 23.654 8.812 1.00 0.00 C ATOM 729 CG PRO A 49 -0.491 25.035 9.069 1.00 0.00 C ATOM 730 CD PRO A 49 -1.957 25.027 8.653 1.00 0.00 C ATOM 0 HA PRO A 49 -1.241 21.893 8.337 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.837 23.405 9.486 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.399 23.558 7.796 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.385 25.300 10.121 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.073 25.771 8.496 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.542 25.737 9.237 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.077 25.301 7.605 1.00 0.00 H new ATOM 738 N LEU A 50 -1.879 22.603 11.383 1.00 0.00 N ATOM 739 CA LEU A 50 -1.897 22.044 12.738 1.00 0.00 C ATOM 740 C LEU A 50 -3.082 21.089 12.906 1.00 0.00 C ATOM 741 O LEU A 50 -2.938 19.996 13.451 1.00 0.00 O ATOM 742 CB LEU A 50 -1.980 23.181 13.779 1.00 0.00 C ATOM 743 CG LEU A 50 -1.130 22.845 15.012 1.00 0.00 C ATOM 744 CD1 LEU A 50 -1.185 24.005 16.007 1.00 0.00 C ATOM 745 CD2 LEU A 50 -1.674 21.573 15.674 1.00 0.00 C ATOM 0 H LEU A 50 -2.471 23.423 11.254 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.975 21.485 12.897 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.634 24.114 13.335 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.017 23.335 14.076 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.096 22.683 14.707 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.581 23.763 16.881 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.796 24.908 15.535 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.217 24.172 16.315 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.072 21.333 16.550 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.708 21.735 15.978 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.629 20.746 14.965 1.00 0.00 H new ATOM 757 N LEU A 51 -4.253 21.517 12.441 1.00 0.00 N ATOM 758 CA LEU A 51 -5.457 20.701 12.559 1.00 0.00 C ATOM 759 C LEU A 51 -5.280 19.380 11.820 1.00 0.00 C ATOM 760 O LEU A 51 -5.933 18.389 12.135 1.00 0.00 O ATOM 761 CB LEU A 51 -6.668 21.456 11.991 1.00 0.00 C ATOM 762 CG LEU A 51 -7.962 20.711 12.340 1.00 0.00 C ATOM 763 CD1 LEU A 51 -8.217 20.759 13.861 1.00 0.00 C ATOM 764 CD2 LEU A 51 -9.138 21.366 11.602 1.00 0.00 C ATOM 0 H LEU A 51 -4.393 22.417 11.982 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.629 20.493 13.615 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.700 22.467 12.397 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.573 21.550 10.909 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.865 19.669 12.034 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.139 20.226 14.092 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.385 20.289 14.384 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.308 21.797 14.182 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.060 20.839 11.847 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.224 22.409 11.907 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.966 21.315 10.527 1.00 0.00 H new ATOM 776 N LEU A 52 -4.388 19.378 10.839 1.00 0.00 N ATOM 777 CA LEU A 52 -4.126 18.174 10.056 1.00 0.00 C ATOM 778 C LEU A 52 -3.414 17.118 10.913 1.00 0.00 C ATOM 779 O LEU A 52 -3.038 16.060 10.408 1.00 0.00 O ATOM 780 CB LEU A 52 -3.279 18.524 8.809 1.00 0.00 C ATOM 781 CG LEU A 52 -4.169 18.546 7.549 1.00 0.00 C ATOM 782 CD1 LEU A 52 -4.663 17.112 7.230 1.00 0.00 C ATOM 783 CD2 LEU A 52 -5.377 19.491 7.776 1.00 0.00 C ATOM 0 H LEU A 52 -3.835 20.191 10.566 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.078 17.759 9.725 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.804 19.496 8.944 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.480 17.793 8.686 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.588 18.914 6.704 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.291 17.133 6.339 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.806 16.463 7.054 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.240 16.730 8.072 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.002 19.503 6.883 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.962 19.136 8.624 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.017 20.499 7.980 1.00 0.00 H new ATOM 795 N LEU A 53 -3.231 17.408 12.198 1.00 0.00 N ATOM 796 CA LEU A 53 -2.567 16.468 13.099 1.00 0.00 C ATOM 797 C LEU A 53 -3.435 15.229 13.322 1.00 0.00 C ATOM 798 O LEU A 53 -2.929 14.116 13.457 1.00 0.00 O ATOM 799 CB LEU A 53 -2.280 17.151 14.442 1.00 0.00 C ATOM 800 CG LEU A 53 -3.590 17.316 15.250 1.00 0.00 C ATOM 801 CD1 LEU A 53 -3.905 16.035 16.071 1.00 0.00 C ATOM 802 CD2 LEU A 53 -3.458 18.528 16.191 1.00 0.00 C ATOM 0 H LEU A 53 -3.530 18.279 12.637 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.628 16.155 12.643 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.564 16.560 15.013 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.824 18.126 14.272 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.413 17.479 14.554 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.830 16.179 16.629 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.017 15.188 15.395 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.089 15.839 16.766 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.379 18.647 16.762 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.625 18.368 16.875 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.277 19.427 15.603 1.00 0.00 H new ATOM 814 N LEU A 54 -4.744 15.438 13.367 1.00 0.00 N ATOM 815 CA LEU A 54 -5.683 14.344 13.584 1.00 0.00 C ATOM 816 C LEU A 54 -5.739 13.429 12.370 1.00 0.00 C ATOM 817 O LEU A 54 -6.464 12.433 12.367 1.00 0.00 O ATOM 818 CB LEU A 54 -7.081 14.906 13.860 1.00 0.00 C ATOM 819 CG LEU A 54 -7.515 15.857 12.710 1.00 0.00 C ATOM 820 CD1 LEU A 54 -8.449 15.129 11.738 1.00 0.00 C ATOM 821 CD2 LEU A 54 -8.250 17.077 13.290 1.00 0.00 C ATOM 0 H LEU A 54 -5.180 16.353 13.256 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.341 13.766 14.443 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.797 14.089 13.956 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.084 15.445 14.808 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.622 16.182 12.177 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.744 15.809 10.939 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.932 14.270 11.311 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -9.337 14.790 12.272 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.552 17.740 12.479 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.134 16.744 13.834 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.586 17.613 13.969 1.00 0.00 H new ATOM 833 N LEU A 55 -4.975 13.771 11.334 1.00 0.00 N ATOM 834 CA LEU A 55 -4.948 12.967 10.109 1.00 0.00 C ATOM 835 C LEU A 55 -3.505 12.607 9.740 1.00 0.00 C ATOM 836 O LEU A 55 -3.170 11.433 9.591 1.00 0.00 O ATOM 837 CB LEU A 55 -5.628 13.755 8.954 1.00 0.00 C ATOM 838 CG LEU A 55 -6.671 12.885 8.237 1.00 0.00 C ATOM 839 CD1 LEU A 55 -7.475 13.737 7.254 1.00 0.00 C ATOM 840 CD2 LEU A 55 -5.958 11.772 7.475 1.00 0.00 C ATOM 0 H LEU A 55 -4.370 14.592 11.316 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.497 12.040 10.276 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.106 14.650 9.351 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.873 14.087 8.241 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.349 12.455 8.974 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.212 13.112 6.750 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.984 14.534 7.795 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.802 14.172 6.515 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.694 11.151 6.964 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.281 12.209 6.742 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.389 11.159 8.174 1.00 0.00 H new ATOM 852 N ALA A 56 -2.663 13.622 9.582 1.00 0.00 N ATOM 853 CA ALA A 56 -1.268 13.398 9.219 1.00 0.00 C ATOM 854 C ALA A 56 -0.444 12.974 10.431 1.00 0.00 C ATOM 855 O ALA A 56 0.635 12.403 10.285 1.00 0.00 O ATOM 856 CB ALA A 56 -0.682 14.677 8.617 1.00 0.00 C ATOM 0 H ALA A 56 -2.919 14.602 9.699 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.230 12.594 8.484 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.360 14.507 8.347 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.248 14.953 7.727 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.741 15.483 9.348 1.00 0.00 H new ATOM 862 N LEU A 57 -0.956 13.262 11.628 1.00 0.00 N ATOM 863 CA LEU A 57 -0.253 12.906 12.865 1.00 0.00 C ATOM 864 C LEU A 57 -1.110 11.965 13.716 1.00 0.00 C ATOM 865 O LEU A 57 -1.537 12.329 14.811 1.00 0.00 O ATOM 866 CB LEU A 57 0.077 14.182 13.662 1.00 0.00 C ATOM 867 CG LEU A 57 1.236 13.910 14.648 1.00 0.00 C ATOM 868 CD1 LEU A 57 2.587 14.111 13.944 1.00 0.00 C ATOM 869 CD2 LEU A 57 1.143 14.876 15.840 1.00 0.00 C ATOM 0 H LEU A 57 -1.848 13.737 11.769 1.00 0.00 H new ATOM 0 HA LEU A 57 0.673 12.393 12.607 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.352 14.986 12.979 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.805 14.516 14.209 1.00 0.00 H new ATOM 0 HG LEU A 57 1.160 12.881 15.001 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.396 13.917 14.648 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.665 13.423 13.103 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.659 15.136 13.582 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.962 14.680 16.532 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.209 15.903 15.482 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.192 14.731 16.353 1.00 0.00 H new ATOM 881 N PRO A 58 -1.361 10.760 13.236 1.00 0.00 N ATOM 882 CA PRO A 58 -2.177 9.744 13.980 1.00 0.00 C ATOM 883 C PRO A 58 -1.508 9.325 15.292 1.00 0.00 C ATOM 884 O PRO A 58 -0.318 9.563 15.494 1.00 0.00 O ATOM 885 CB PRO A 58 -2.280 8.556 13.000 1.00 0.00 C ATOM 886 CG PRO A 58 -1.139 8.733 12.053 1.00 0.00 C ATOM 887 CD PRO A 58 -0.905 10.236 11.933 1.00 0.00 C ATOM 0 HA PRO A 58 -3.152 10.135 14.272 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.212 7.604 13.526 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.234 8.561 12.473 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.246 8.230 12.423 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.370 8.298 11.081 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.145 10.466 11.753 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.471 10.666 11.107 1.00 0.00 H new ATOM 895 N PRO A 59 -2.250 8.702 16.171 1.00 0.00 N ATOM 896 CA PRO A 59 -1.721 8.232 17.490 1.00 0.00 C ATOM 897 C PRO A 59 -0.530 7.277 17.328 1.00 0.00 C ATOM 898 O PRO A 59 0.569 7.559 17.801 1.00 0.00 O ATOM 899 CB PRO A 59 -2.930 7.515 18.141 1.00 0.00 C ATOM 900 CG PRO A 59 -3.878 7.241 17.015 1.00 0.00 C ATOM 901 CD PRO A 59 -3.675 8.375 16.018 1.00 0.00 C ATOM 0 HA PRO A 59 -1.339 9.055 18.094 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.623 6.591 18.630 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -3.395 8.140 18.903 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -3.671 6.274 16.556 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -4.908 7.211 17.369 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -3.910 8.064 15.000 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -4.312 9.230 16.245 1.00 0.00 H new ATOM 909 N ARG A 60 -0.765 6.144 16.660 1.00 0.00 N ATOM 910 CA ARG A 60 0.293 5.156 16.454 1.00 0.00 C ATOM 911 C ARG A 60 1.496 5.791 15.757 1.00 0.00 C ATOM 912 O ARG A 60 2.520 6.055 16.388 1.00 0.00 O ATOM 913 CB ARG A 60 -0.244 3.979 15.615 1.00 0.00 C ATOM 914 CG ARG A 60 0.526 2.691 15.944 1.00 0.00 C ATOM 915 CD ARG A 60 2.020 2.899 15.677 1.00 0.00 C ATOM 916 NE ARG A 60 2.707 1.610 15.616 1.00 0.00 N ATOM 917 CZ ARG A 60 3.195 1.030 16.708 1.00 0.00 C ATOM 918 NH1 ARG A 60 3.058 1.608 17.871 1.00 0.00 N ATOM 919 NH2 ARG A 60 3.810 -0.117 16.619 1.00 0.00 N ATOM 0 H ARG A 60 -1.668 5.892 16.258 1.00 0.00 H new ATOM 0 HA ARG A 60 0.615 4.785 17.427 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.306 3.836 15.815 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.147 4.207 14.553 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.368 2.418 16.987 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.150 1.866 15.338 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.158 3.437 14.739 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.455 3.514 16.464 1.00 0.00 H new ATOM 0 HE ARG A 60 2.814 1.145 14.715 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.577 2.504 17.941 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.432 1.163 18.709 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.917 -0.569 15.711 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.184 -0.561 17.457 1.00 0.00 H new ATOM 933 N ALA A 61 1.364 6.026 14.455 1.00 0.00 N ATOM 934 CA ALA A 61 2.443 6.623 13.682 1.00 0.00 C ATOM 935 C ALA A 61 2.535 8.119 13.970 1.00 0.00 C ATOM 936 O ALA A 61 1.793 8.651 14.795 1.00 0.00 O ATOM 937 CB ALA A 61 2.210 6.386 12.184 1.00 0.00 C ATOM 0 H ALA A 61 0.524 5.813 13.917 1.00 0.00 H new ATOM 0 HA ALA A 61 3.383 6.154 13.971 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.022 6.836 11.614 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.178 5.315 11.986 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.264 6.838 11.887 1.00 0.00 H new