USER MOD reduce.3.24.130724 H: found=0, std=0, add=343, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 344 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 GLN : amide:sc= 0.722 K(o=1.5,f=-0.33) USER MOD Set 1.2: A 36 TYR OH : rot 167:sc= 0.816 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 15:sc= 0.531 USER MOD Single : A 9 ASN : amide:sc= -0.0242 K(o=-0.024,f=-1.2) USER MOD Single : A 11 ASN : amide:sc= -0.0355 K(o=-0.035,f=-0.56) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 72:sc= 0.819 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00449) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 145:sc= 1.16 (180deg=0.383) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0108 USER MOD Single : A 33 SER OG : rot 107:sc= 1.25 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 96:sc= 0.0383 USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 2 -4.308 -5.092 0.468 1.00 10.00 N ATOM 14 CA ILE A 2 -3.790 -5.350 -0.875 1.00 10.00 C ATOM 15 C ILE A 2 -4.202 -6.738 -1.394 1.00 10.00 C ATOM 16 O ILE A 2 -4.578 -7.641 -0.639 1.00 10.00 O ATOM 17 CB ILE A 2 -2.250 -5.130 -0.944 1.00 10.00 C ATOM 18 CG1 ILE A 2 -1.402 -5.705 0.215 1.00 10.00 C ATOM 19 CG2 ILE A 2 -1.952 -3.627 -1.053 1.00 10.00 C ATOM 20 CD1 ILE A 2 -1.523 -7.218 0.422 1.00 10.00 C ATOM 0 HA ILE A 2 -4.247 -4.621 -1.544 1.00 10.00 H new ATOM 0 HB ILE A 2 -1.949 -5.697 -1.825 1.00 10.00 H new ATOM 0 HG12 ILE A 2 -0.355 -5.462 0.034 1.00 10.00 H new ATOM 0 HG13 ILE A 2 -1.690 -5.204 1.139 1.00 10.00 H new ATOM 0 HG21 ILE A 2 -0.874 -3.472 -1.101 1.00 10.00 H new ATOM 0 HG22 ILE A 2 -2.417 -3.228 -1.955 1.00 10.00 H new ATOM 0 HG23 ILE A 2 -2.354 -3.112 -0.180 1.00 10.00 H new ATOM 0 HD11 ILE A 2 -0.891 -7.523 1.256 1.00 10.00 H new ATOM 0 HD12 ILE A 2 -2.560 -7.474 0.640 1.00 10.00 H new ATOM 0 HD13 ILE A 2 -1.204 -7.736 -0.483 1.00 10.00 H new ATOM 32 N LYS A 3 -4.056 -6.907 -2.704 1.00 10.00 N ATOM 33 CA LYS A 3 -4.018 -8.165 -3.429 1.00 10.00 C ATOM 34 C LYS A 3 -2.654 -8.222 -4.115 1.00 10.00 C ATOM 35 O LYS A 3 -2.005 -7.190 -4.327 1.00 10.00 O ATOM 36 CB LYS A 3 -5.147 -8.207 -4.479 1.00 10.00 C ATOM 37 CG LYS A 3 -6.544 -8.379 -3.862 1.00 10.00 C ATOM 38 CD LYS A 3 -7.626 -8.379 -4.954 1.00 10.00 C ATOM 39 CE LYS A 3 -8.988 -8.759 -4.356 1.00 10.00 C ATOM 40 NZ LYS A 3 -10.082 -8.690 -5.356 1.00 10.00 N ATOM 0 H LYS A 3 -3.954 -6.108 -3.329 1.00 10.00 H new ATOM 0 HA LYS A 3 -4.161 -9.014 -2.761 1.00 10.00 H new ATOM 0 HB2 LYS A 3 -5.126 -7.286 -5.062 1.00 10.00 H new ATOM 0 HB3 LYS A 3 -4.960 -9.028 -5.171 1.00 10.00 H new ATOM 0 HG2 LYS A 3 -6.587 -9.313 -3.301 1.00 10.00 H new ATOM 0 HG3 LYS A 3 -6.736 -7.573 -3.154 1.00 10.00 H new ATOM 0 HD2 LYS A 3 -7.686 -7.393 -5.415 1.00 10.00 H new ATOM 0 HD3 LYS A 3 -7.358 -9.084 -5.741 1.00 10.00 H new ATOM 0 HE2 LYS A 3 -8.934 -9.769 -3.949 1.00 10.00 H new ATOM 0 HE3 LYS A 3 -9.216 -8.092 -3.525 1.00 10.00 H new ATOM 0 HZ1 LYS A 3 -10.981 -8.955 -4.906 1.00 10.00 H new ATOM 0 HZ2 LYS A 3 -10.153 -7.721 -5.727 1.00 10.00 H new ATOM 0 HZ3 LYS A 3 -9.880 -9.346 -6.137 1.00 10.00 H new ATOM 54 N LEU A 4 -2.239 -9.424 -4.500 1.00 10.00 N ATOM 55 CA LEU A 4 -1.085 -9.650 -5.360 1.00 10.00 C ATOM 56 C LEU A 4 -1.663 -10.193 -6.657 1.00 10.00 C ATOM 57 O LEU A 4 -2.545 -11.056 -6.622 1.00 10.00 O ATOM 58 CB LEU A 4 -0.102 -10.643 -4.718 1.00 10.00 C ATOM 59 CG LEU A 4 0.504 -10.170 -3.381 1.00 10.00 C ATOM 60 CD1 LEU A 4 1.463 -11.235 -2.842 1.00 10.00 C ATOM 61 CD2 LEU A 4 1.253 -8.841 -3.517 1.00 10.00 C ATOM 0 H LEU A 4 -2.706 -10.286 -4.217 1.00 10.00 H new ATOM 0 HA LEU A 4 -0.512 -8.738 -5.526 1.00 10.00 H new ATOM 0 HB2 LEU A 4 -0.617 -11.590 -4.554 1.00 10.00 H new ATOM 0 HB3 LEU A 4 0.708 -10.838 -5.421 1.00 10.00 H new ATOM 0 HG LEU A 4 -0.324 -10.016 -2.689 1.00 10.00 H new ATOM 0 HD11 LEU A 4 1.889 -10.897 -1.897 1.00 10.00 H new ATOM 0 HD12 LEU A 4 0.920 -12.166 -2.682 1.00 10.00 H new ATOM 0 HD13 LEU A 4 2.264 -11.401 -3.562 1.00 10.00 H new ATOM 0 HD21 LEU A 4 1.660 -8.552 -2.548 1.00 10.00 H new ATOM 0 HD22 LEU A 4 2.066 -8.953 -4.234 1.00 10.00 H new ATOM 0 HD23 LEU A 4 0.566 -8.070 -3.866 1.00 10.00 H new ATOM 73 N VAL A 5 -1.221 -9.655 -7.791 1.00 10.00 N ATOM 74 CA VAL A 5 -1.947 -9.776 -9.051 1.00 10.00 C ATOM 75 C VAL A 5 -0.930 -10.040 -10.161 1.00 10.00 C ATOM 76 O VAL A 5 0.198 -9.549 -10.089 1.00 10.00 O ATOM 77 CB VAL A 5 -2.770 -8.488 -9.307 1.00 10.00 C ATOM 78 CG1 VAL A 5 -3.839 -8.751 -10.374 1.00 10.00 C ATOM 79 CG2 VAL A 5 -3.501 -7.942 -8.064 1.00 10.00 C ATOM 0 H VAL A 5 -0.352 -9.125 -7.862 1.00 10.00 H new ATOM 0 HA VAL A 5 -2.654 -10.605 -9.020 1.00 10.00 H new ATOM 0 HB VAL A 5 -2.037 -7.746 -9.622 1.00 10.00 H new ATOM 0 HG11 VAL A 5 -4.412 -7.840 -10.547 1.00 10.00 H new ATOM 0 HG12 VAL A 5 -3.358 -9.059 -11.302 1.00 10.00 H new ATOM 0 HG13 VAL A 5 -4.508 -9.541 -10.032 1.00 10.00 H new ATOM 0 HG21 VAL A 5 -4.052 -7.041 -8.333 1.00 10.00 H new ATOM 0 HG22 VAL A 5 -4.196 -8.694 -7.691 1.00 10.00 H new ATOM 0 HG23 VAL A 5 -2.773 -7.705 -7.289 1.00 10.00 H new ATOM 89 N GLN A 6 -1.313 -10.821 -11.176 1.00 10.00 N ATOM 90 CA GLN A 6 -0.471 -11.128 -12.323 1.00 10.00 C ATOM 91 C GLN A 6 -1.354 -11.518 -13.509 1.00 10.00 C ATOM 92 O GLN A 6 -2.197 -12.406 -13.370 1.00 10.00 O ATOM 93 CB GLN A 6 0.544 -12.237 -11.964 1.00 10.00 C ATOM 94 CG GLN A 6 -0.047 -13.499 -11.301 1.00 10.00 C ATOM 95 CD GLN A 6 1.035 -14.502 -10.900 1.00 10.00 C ATOM 96 OE1 GLN A 6 1.169 -15.569 -11.496 1.00 10.00 O ATOM 97 NE2 GLN A 6 1.831 -14.196 -9.887 1.00 10.00 N ATOM 0 H GLN A 6 -2.232 -11.262 -11.219 1.00 10.00 H new ATOM 0 HA GLN A 6 0.106 -10.248 -12.606 1.00 10.00 H new ATOM 0 HB2 GLN A 6 1.063 -12.537 -12.874 1.00 10.00 H new ATOM 0 HB3 GLN A 6 1.293 -11.815 -11.294 1.00 10.00 H new ATOM 0 HG2 GLN A 6 -0.617 -13.210 -10.418 1.00 10.00 H new ATOM 0 HG3 GLN A 6 -0.745 -13.976 -11.989 1.00 10.00 H new ATOM 0 HE21 GLN A 6 1.715 -13.309 -9.397 1.00 10.00 H new ATOM 0 HE22 GLN A 6 2.561 -14.847 -9.597 1.00 10.00 H new ATOM 106 N SER A 7 -1.156 -10.875 -14.661 1.00 10.00 N ATOM 107 CA SER A 7 -1.808 -11.173 -15.938 1.00 10.00 C ATOM 108 C SER A 7 -0.962 -10.544 -17.055 1.00 10.00 C ATOM 109 O SER A 7 -0.277 -9.549 -16.809 1.00 10.00 O ATOM 110 CB SER A 7 -3.220 -10.566 -16.000 1.00 10.00 C ATOM 111 OG SER A 7 -4.149 -11.232 -15.173 1.00 10.00 O ATOM 0 H SER A 7 -0.504 -10.094 -14.733 1.00 10.00 H new ATOM 0 HA SER A 7 -1.892 -12.254 -16.050 1.00 10.00 H new ATOM 0 HB2 SER A 7 -3.170 -9.517 -15.708 1.00 10.00 H new ATOM 0 HB3 SER A 7 -3.575 -10.594 -17.030 1.00 10.00 H new ATOM 0 HG SER A 7 -3.670 -11.803 -14.536 1.00 10.00 H new ATOM 117 N PRO A 8 -1.016 -11.050 -18.300 1.00 10.00 N ATOM 118 CA PRO A 8 -0.247 -10.482 -19.404 1.00 10.00 C ATOM 119 C PRO A 8 -0.731 -9.086 -19.821 1.00 10.00 C ATOM 120 O PRO A 8 0.063 -8.306 -20.345 1.00 10.00 O ATOM 121 CB PRO A 8 -0.360 -11.498 -20.546 1.00 10.00 C ATOM 122 CG PRO A 8 -1.669 -12.231 -20.257 1.00 10.00 C ATOM 123 CD PRO A 8 -1.731 -12.245 -18.731 1.00 10.00 C ATOM 0 HA PRO A 8 0.790 -10.321 -19.109 1.00 10.00 H new ATOM 0 HB2 PRO A 8 -0.384 -11.005 -21.518 1.00 10.00 H new ATOM 0 HB3 PRO A 8 0.488 -12.183 -20.557 1.00 10.00 H new ATOM 0 HG2 PRO A 8 -2.525 -11.713 -20.690 1.00 10.00 H new ATOM 0 HG3 PRO A 8 -1.665 -13.240 -20.669 1.00 10.00 H new ATOM 0 HD2 PRO A 8 -2.763 -12.233 -18.380 1.00 10.00 H new ATOM 0 HD3 PRO A 8 -1.268 -13.146 -18.328 1.00 10.00 H new ATOM 131 N ASN A 9 -2.011 -8.754 -19.595 1.00 10.00 N ATOM 132 CA ASN A 9 -2.584 -7.484 -20.048 1.00 10.00 C ATOM 133 C ASN A 9 -2.049 -6.281 -19.257 1.00 10.00 C ATOM 134 O ASN A 9 -1.917 -5.193 -19.818 1.00 10.00 O ATOM 135 CB ASN A 9 -4.116 -7.531 -19.961 1.00 10.00 C ATOM 136 CG ASN A 9 -4.734 -6.318 -20.654 1.00 10.00 C ATOM 137 OD1 ASN A 9 -5.039 -5.312 -20.025 1.00 10.00 O ATOM 138 ND2 ASN A 9 -4.929 -6.383 -21.961 1.00 10.00 N ATOM 0 H ASN A 9 -2.670 -9.354 -19.098 1.00 10.00 H new ATOM 0 HA ASN A 9 -2.279 -7.349 -21.086 1.00 10.00 H new ATOM 0 HB2 ASN A 9 -4.483 -8.447 -20.424 1.00 10.00 H new ATOM 0 HB3 ASN A 9 -4.425 -7.556 -18.916 1.00 10.00 H new ATOM 0 HD21 ASN A 9 -5.337 -5.590 -22.456 1.00 10.00 H new ATOM 0 HD22 ASN A 9 -4.671 -7.226 -22.474 1.00 10.00 H new ATOM 145 N GLY A 10 -1.725 -6.471 -17.971 1.00 10.00 N ATOM 146 CA GLY A 10 -1.219 -5.407 -17.099 1.00 10.00 C ATOM 147 C GLY A 10 -2.211 -4.260 -16.903 1.00 10.00 C ATOM 148 O GLY A 10 -1.779 -3.112 -16.790 1.00 10.00 O ATOM 0 H GLY A 10 -1.808 -7.375 -17.505 1.00 10.00 H new ATOM 0 HA2 GLY A 10 -0.969 -5.832 -16.127 1.00 10.00 H new ATOM 0 HA3 GLY A 10 -0.295 -5.011 -17.520 1.00 10.00 H new ATOM 152 N ASN A 11 -3.516 -4.555 -16.911 1.00 10.00 N ATOM 153 CA ASN A 11 -4.619 -3.593 -16.863 1.00 10.00 C ATOM 154 C ASN A 11 -4.499 -2.635 -15.669 1.00 10.00 C ATOM 155 O ASN A 11 -4.886 -2.975 -14.550 1.00 10.00 O ATOM 156 CB ASN A 11 -5.957 -4.351 -16.831 1.00 10.00 C ATOM 157 CG ASN A 11 -7.165 -3.436 -16.653 1.00 10.00 C ATOM 158 OD1 ASN A 11 -7.153 -2.266 -17.025 1.00 10.00 O ATOM 159 ND2 ASN A 11 -8.245 -3.961 -16.100 1.00 10.00 N ATOM 0 H ASN A 11 -3.846 -5.519 -16.953 1.00 10.00 H new ATOM 0 HA ASN A 11 -4.574 -2.976 -17.761 1.00 10.00 H new ATOM 0 HB2 ASN A 11 -6.070 -4.914 -17.757 1.00 10.00 H new ATOM 0 HB3 ASN A 11 -5.936 -5.076 -16.018 1.00 10.00 H new ATOM 0 HD21 ASN A 11 -9.083 -3.392 -15.978 1.00 10.00 H new ATOM 0 HD22 ASN A 11 -8.240 -4.935 -15.796 1.00 10.00 H new ATOM 166 N PHE A 12 -3.955 -1.437 -15.904 1.00 10.00 N ATOM 167 CA PHE A 12 -3.871 -0.383 -14.903 1.00 10.00 C ATOM 168 C PHE A 12 -5.287 0.119 -14.596 1.00 10.00 C ATOM 169 O PHE A 12 -5.993 0.569 -15.504 1.00 10.00 O ATOM 170 CB PHE A 12 -2.962 0.744 -15.417 1.00 10.00 C ATOM 171 CG PHE A 12 -2.939 1.988 -14.547 1.00 10.00 C ATOM 172 CD1 PHE A 12 -2.168 2.022 -13.368 1.00 10.00 C ATOM 173 CD2 PHE A 12 -3.683 3.124 -14.925 1.00 10.00 C ATOM 174 CE1 PHE A 12 -2.151 3.180 -12.569 1.00 10.00 C ATOM 175 CE2 PHE A 12 -3.652 4.285 -14.134 1.00 10.00 C ATOM 176 CZ PHE A 12 -2.891 4.313 -12.953 1.00 10.00 C ATOM 0 H PHE A 12 -3.558 -1.175 -16.806 1.00 10.00 H new ATOM 0 HA PHE A 12 -3.433 -0.762 -13.979 1.00 10.00 H new ATOM 0 HB2 PHE A 12 -1.946 0.360 -15.506 1.00 10.00 H new ATOM 0 HB3 PHE A 12 -3.285 1.024 -16.419 1.00 10.00 H new ATOM 0 HD1 PHE A 12 -1.589 1.158 -13.077 1.00 10.00 H new ATOM 0 HD2 PHE A 12 -4.279 3.102 -15.826 1.00 10.00 H new ATOM 0 HE1 PHE A 12 -1.569 3.199 -11.659 1.00 10.00 H new ATOM 0 HE2 PHE A 12 -4.214 5.157 -14.434 1.00 10.00 H new ATOM 0 HZ PHE A 12 -2.874 5.203 -12.341 1.00 10.00 H new ATOM 186 N ALA A 13 -5.695 0.054 -13.324 1.00 10.00 N ATOM 187 CA ALA A 13 -7.067 0.331 -12.893 1.00 10.00 C ATOM 188 C ALA A 13 -7.215 1.646 -12.107 1.00 10.00 C ATOM 189 O ALA A 13 -8.344 2.016 -11.787 1.00 10.00 O ATOM 190 CB ALA A 13 -7.572 -0.861 -12.071 1.00 10.00 C ATOM 0 H ALA A 13 -5.072 -0.196 -12.556 1.00 10.00 H new ATOM 0 HA ALA A 13 -7.675 0.464 -13.788 1.00 10.00 H new ATOM 0 HB1 ALA A 13 -8.594 -0.670 -11.742 1.00 10.00 H new ATOM 0 HB2 ALA A 13 -7.551 -1.761 -12.685 1.00 10.00 H new ATOM 0 HB3 ALA A 13 -6.931 -1.000 -11.201 1.00 10.00 H new ATOM 196 N ALA A 14 -6.112 2.354 -11.825 1.00 10.00 N ATOM 197 CA ALA A 14 -5.991 3.543 -10.972 1.00 10.00 C ATOM 198 C ALA A 14 -6.619 3.407 -9.574 1.00 10.00 C ATOM 199 O ALA A 14 -5.883 3.278 -8.594 1.00 10.00 O ATOM 200 CB ALA A 14 -6.491 4.793 -11.712 1.00 10.00 C ATOM 0 H ALA A 14 -5.210 2.088 -12.220 1.00 10.00 H new ATOM 0 HA ALA A 14 -4.925 3.653 -10.771 1.00 10.00 H new ATOM 0 HB1 ALA A 14 -6.393 5.663 -11.063 1.00 10.00 H new ATOM 0 HB2 ALA A 14 -5.897 4.944 -12.614 1.00 10.00 H new ATOM 0 HB3 ALA A 14 -7.538 4.660 -11.985 1.00 10.00 H new ATOM 206 N SER A 15 -7.947 3.450 -9.455 1.00 10.00 N ATOM 207 CA SER A 15 -8.679 3.435 -8.195 1.00 10.00 C ATOM 208 C SER A 15 -10.152 3.076 -8.435 1.00 10.00 C ATOM 209 O SER A 15 -10.642 3.164 -9.566 1.00 10.00 O ATOM 210 CB SER A 15 -8.536 4.797 -7.489 1.00 10.00 C ATOM 211 OG SER A 15 -8.733 5.889 -8.376 1.00 10.00 O ATOM 0 H SER A 15 -8.562 3.498 -10.267 1.00 10.00 H new ATOM 0 HA SER A 15 -8.257 2.670 -7.543 1.00 10.00 H new ATOM 0 HB2 SER A 15 -9.258 4.859 -6.675 1.00 10.00 H new ATOM 0 HB3 SER A 15 -7.544 4.869 -7.042 1.00 10.00 H new ATOM 0 HG SER A 15 -8.635 6.731 -7.885 1.00 10.00 H new ATOM 217 N PHE A 16 -10.856 2.664 -7.376 1.00 10.00 N ATOM 218 CA PHE A 16 -12.258 2.250 -7.400 1.00 10.00 C ATOM 219 C PHE A 16 -12.839 2.362 -5.982 1.00 10.00 C ATOM 220 O PHE A 16 -12.116 2.674 -5.032 1.00 10.00 O ATOM 221 CB PHE A 16 -12.336 0.803 -7.929 1.00 10.00 C ATOM 222 CG PHE A 16 -13.715 0.284 -8.299 1.00 10.00 C ATOM 223 CD1 PHE A 16 -14.503 0.972 -9.243 1.00 10.00 C ATOM 224 CD2 PHE A 16 -14.190 -0.918 -7.738 1.00 10.00 C ATOM 225 CE1 PHE A 16 -15.765 0.470 -9.609 1.00 10.00 C ATOM 226 CE2 PHE A 16 -15.448 -1.422 -8.114 1.00 10.00 C ATOM 227 CZ PHE A 16 -16.238 -0.727 -9.045 1.00 10.00 C ATOM 0 H PHE A 16 -10.447 2.608 -6.443 1.00 10.00 H new ATOM 0 HA PHE A 16 -12.843 2.892 -8.058 1.00 10.00 H new ATOM 0 HB2 PHE A 16 -11.697 0.728 -8.809 1.00 10.00 H new ATOM 0 HB3 PHE A 16 -11.915 0.141 -7.172 1.00 10.00 H new ATOM 0 HD1 PHE A 16 -14.137 1.886 -9.686 1.00 10.00 H new ATOM 0 HD2 PHE A 16 -13.588 -1.453 -7.019 1.00 10.00 H new ATOM 0 HE1 PHE A 16 -16.371 1.005 -10.325 1.00 10.00 H new ATOM 0 HE2 PHE A 16 -15.808 -2.346 -7.686 1.00 10.00 H new ATOM 0 HZ PHE A 16 -17.207 -1.112 -9.327 1.00 10.00 H new ATOM 237 N VAL A 17 -14.130 2.070 -5.816 1.00 10.00 N ATOM 238 CA VAL A 17 -14.813 2.014 -4.528 1.00 10.00 C ATOM 239 C VAL A 17 -15.687 0.756 -4.567 1.00 10.00 C ATOM 240 O VAL A 17 -16.417 0.540 -5.536 1.00 10.00 O ATOM 241 CB VAL A 17 -15.628 3.305 -4.280 1.00 10.00 C ATOM 242 CG1 VAL A 17 -16.342 3.274 -2.920 1.00 10.00 C ATOM 243 CG2 VAL A 17 -14.743 4.564 -4.315 1.00 10.00 C ATOM 0 H VAL A 17 -14.746 1.860 -6.601 1.00 10.00 H new ATOM 0 HA VAL A 17 -14.112 1.956 -3.695 1.00 10.00 H new ATOM 0 HB VAL A 17 -16.360 3.347 -5.087 1.00 10.00 H new ATOM 0 HG11 VAL A 17 -16.904 4.198 -2.783 1.00 10.00 H new ATOM 0 HG12 VAL A 17 -17.026 2.426 -2.887 1.00 10.00 H new ATOM 0 HG13 VAL A 17 -15.604 3.176 -2.124 1.00 10.00 H new ATOM 0 HG21 VAL A 17 -15.358 5.446 -4.136 1.00 10.00 H new ATOM 0 HG22 VAL A 17 -13.978 4.492 -3.542 1.00 10.00 H new ATOM 0 HG23 VAL A 17 -14.266 4.646 -5.292 1.00 10.00 H new ATOM 253 N LEU A 18 -15.583 -0.088 -3.537 1.00 10.00 N ATOM 254 CA LEU A 18 -16.244 -1.388 -3.443 1.00 10.00 C ATOM 255 C LEU A 18 -16.364 -1.727 -1.960 1.00 10.00 C ATOM 256 O LEU A 18 -15.451 -1.422 -1.192 1.00 10.00 O ATOM 257 CB LEU A 18 -15.394 -2.443 -4.187 1.00 10.00 C ATOM 258 CG LEU A 18 -15.871 -3.904 -4.062 1.00 10.00 C ATOM 259 CD1 LEU A 18 -17.233 -4.125 -4.731 1.00 10.00 C ATOM 260 CD2 LEU A 18 -14.838 -4.836 -4.707 1.00 10.00 C ATOM 0 H LEU A 18 -15.015 0.125 -2.717 1.00 10.00 H new ATOM 0 HA LEU A 18 -17.234 -1.372 -3.900 1.00 10.00 H new ATOM 0 HB2 LEU A 18 -15.367 -2.179 -5.244 1.00 10.00 H new ATOM 0 HB3 LEU A 18 -14.370 -2.383 -3.817 1.00 10.00 H new ATOM 0 HG LEU A 18 -15.978 -4.125 -3.000 1.00 10.00 H new ATOM 0 HD11 LEU A 18 -17.529 -5.168 -4.618 1.00 10.00 H new ATOM 0 HD12 LEU A 18 -17.978 -3.483 -4.260 1.00 10.00 H new ATOM 0 HD13 LEU A 18 -17.162 -3.881 -5.791 1.00 10.00 H new ATOM 0 HD21 LEU A 18 -15.175 -5.869 -4.619 1.00 10.00 H new ATOM 0 HD22 LEU A 18 -14.725 -4.580 -5.760 1.00 10.00 H new ATOM 0 HD23 LEU A 18 -13.879 -4.722 -4.201 1.00 10.00 H new ATOM 272 N ASP A 19 -17.464 -2.374 -1.566 1.00 10.00 N ATOM 273 CA ASP A 19 -17.756 -2.798 -0.190 1.00 10.00 C ATOM 274 C ASP A 19 -17.484 -1.687 0.839 1.00 10.00 C ATOM 275 O ASP A 19 -16.802 -1.883 1.849 1.00 10.00 O ATOM 276 CB ASP A 19 -17.054 -4.129 0.127 1.00 10.00 C ATOM 277 CG ASP A 19 -17.475 -4.698 1.496 1.00 10.00 C ATOM 278 OD1 ASP A 19 -18.678 -4.671 1.836 1.00 10.00 O ATOM 279 OD2 ASP A 19 -16.608 -5.245 2.220 1.00 10.00 O ATOM 0 H ASP A 19 -18.205 -2.627 -2.220 1.00 10.00 H new ATOM 0 HA ASP A 19 -18.827 -2.985 -0.111 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -17.286 -4.855 -0.653 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -15.974 -3.980 0.114 1.00 10.00 H new ATOM 284 N GLY A 20 -17.978 -0.480 0.538 1.00 10.00 N ATOM 285 CA GLY A 20 -17.886 0.687 1.414 1.00 10.00 C ATOM 286 C GLY A 20 -16.445 1.120 1.709 1.00 10.00 C ATOM 287 O GLY A 20 -16.202 1.756 2.737 1.00 10.00 O ATOM 0 H GLY A 20 -18.462 -0.287 -0.339 1.00 10.00 H new ATOM 0 HA2 GLY A 20 -18.420 1.519 0.955 1.00 10.00 H new ATOM 0 HA3 GLY A 20 -18.390 0.466 2.355 1.00 10.00 H new ATOM 291 N THR A 21 -15.498 0.774 0.836 1.00 10.00 N ATOM 292 CA THR A 21 -14.067 0.968 1.026 1.00 10.00 C ATOM 293 C THR A 21 -13.505 1.531 -0.287 1.00 10.00 C ATOM 294 O THR A 21 -14.034 1.234 -1.362 1.00 10.00 O ATOM 295 CB THR A 21 -13.451 -0.397 1.418 1.00 10.00 C ATOM 296 OG1 THR A 21 -14.151 -0.986 2.502 1.00 10.00 O ATOM 297 CG2 THR A 21 -11.978 -0.299 1.829 1.00 10.00 C ATOM 0 H THR A 21 -15.720 0.334 -0.057 1.00 10.00 H new ATOM 0 HA THR A 21 -13.829 1.673 1.823 1.00 10.00 H new ATOM 0 HB THR A 21 -13.532 -1.009 0.519 1.00 10.00 H new ATOM 0 HG1 THR A 21 -15.024 -1.307 2.192 1.00 10.00 H new ATOM 0 HG21 THR A 21 -11.607 -1.290 2.092 1.00 10.00 H new ATOM 0 HG22 THR A 21 -11.394 0.099 0.999 1.00 10.00 H new ATOM 0 HG23 THR A 21 -11.884 0.364 2.689 1.00 10.00 H new ATOM 305 N LYS A 22 -12.457 2.361 -0.218 1.00 10.00 N ATOM 306 CA LYS A 22 -11.763 2.873 -1.402 1.00 10.00 C ATOM 307 C LYS A 22 -10.596 1.941 -1.729 1.00 10.00 C ATOM 308 O LYS A 22 -10.007 1.332 -0.834 1.00 10.00 O ATOM 309 CB LYS A 22 -11.303 4.322 -1.153 1.00 10.00 C ATOM 310 CG LYS A 22 -10.733 4.981 -2.422 1.00 10.00 C ATOM 311 CD LYS A 22 -10.451 6.473 -2.210 1.00 10.00 C ATOM 312 CE LYS A 22 -9.891 7.084 -3.502 1.00 10.00 C ATOM 313 NZ LYS A 22 -9.618 8.538 -3.366 1.00 10.00 N ATOM 0 H LYS A 22 -12.067 2.696 0.663 1.00 10.00 H new ATOM 0 HA LYS A 22 -12.432 2.894 -2.262 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -12.145 4.910 -0.788 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -10.545 4.331 -0.370 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -9.813 4.475 -2.713 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -11.438 4.857 -3.244 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -11.367 6.988 -1.920 1.00 10.00 H new ATOM 0 HD3 LYS A 22 -9.739 6.606 -1.395 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -8.971 6.568 -3.776 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -10.600 6.924 -4.314 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -9.242 8.906 -4.263 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -10.500 9.036 -3.130 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -8.921 8.691 -2.609 1.00 10.00 H new ATOM 327 N TRP A 23 -10.254 1.856 -3.009 1.00 10.00 N ATOM 328 CA TRP A 23 -9.320 0.902 -3.581 1.00 10.00 C ATOM 329 C TRP A 23 -8.424 1.700 -4.543 1.00 10.00 C ATOM 330 O TRP A 23 -8.922 2.615 -5.203 1.00 10.00 O ATOM 331 CB TRP A 23 -10.166 -0.200 -4.256 1.00 10.00 C ATOM 332 CG TRP A 23 -11.005 -1.025 -3.322 1.00 10.00 C ATOM 333 CD1 TRP A 23 -12.230 -0.673 -2.887 1.00 10.00 C ATOM 334 CD2 TRP A 23 -10.727 -2.317 -2.685 1.00 10.00 C ATOM 335 NE1 TRP A 23 -12.706 -1.603 -1.992 1.00 10.00 N ATOM 336 CE2 TRP A 23 -11.830 -2.652 -1.839 1.00 10.00 C ATOM 337 CE3 TRP A 23 -9.670 -3.251 -2.735 1.00 10.00 C ATOM 338 CZ2 TRP A 23 -11.873 -3.834 -1.083 1.00 10.00 C ATOM 339 CZ3 TRP A 23 -9.697 -4.440 -1.980 1.00 10.00 C ATOM 340 CH2 TRP A 23 -10.796 -4.733 -1.153 1.00 10.00 C ATOM 0 H TRP A 23 -10.643 2.486 -3.711 1.00 10.00 H new ATOM 0 HA TRP A 23 -8.667 0.406 -2.863 1.00 10.00 H new ATOM 0 HB2 TRP A 23 -10.822 0.267 -4.991 1.00 10.00 H new ATOM 0 HB3 TRP A 23 -9.497 -0.866 -4.802 1.00 10.00 H new ATOM 0 HD1 TRP A 23 -12.763 0.214 -3.197 1.00 10.00 H new ATOM 0 HE1 TRP A 23 -13.598 -1.524 -1.503 1.00 10.00 H new ATOM 0 HE3 TRP A 23 -8.819 -3.049 -3.368 1.00 10.00 H new ATOM 0 HZ2 TRP A 23 -12.725 -4.050 -0.455 1.00 10.00 H new ATOM 0 HZ3 TRP A 23 -8.869 -5.131 -2.037 1.00 10.00 H new ATOM 0 HH2 TRP A 23 -10.812 -5.645 -0.574 1.00 10.00 H new ATOM 351 N ILE A 24 -7.114 1.427 -4.598 1.00 10.00 N ATOM 352 CA ILE A 24 -6.121 2.263 -5.279 1.00 10.00 C ATOM 353 C ILE A 24 -4.879 1.450 -5.704 1.00 10.00 C ATOM 354 O ILE A 24 -4.588 0.383 -5.161 1.00 10.00 O ATOM 355 CB ILE A 24 -5.785 3.472 -4.365 1.00 10.00 C ATOM 356 CG1 ILE A 24 -4.957 4.545 -5.108 1.00 10.00 C ATOM 357 CG2 ILE A 24 -5.114 3.044 -3.045 1.00 10.00 C ATOM 358 CD1 ILE A 24 -4.931 5.903 -4.396 1.00 10.00 C ATOM 0 H ILE A 24 -6.708 0.600 -4.160 1.00 10.00 H new ATOM 0 HA ILE A 24 -6.533 2.645 -6.213 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.737 3.929 -4.096 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -3.934 4.186 -5.225 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.365 4.677 -6.110 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -4.900 3.927 -2.443 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -5.783 2.383 -2.494 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -4.184 2.519 -3.263 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -4.332 6.606 -4.975 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -5.948 6.284 -4.302 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -4.495 5.785 -3.404 1.00 10.00 H new ATOM 370 N PHE A 25 -4.150 1.949 -6.704 1.00 10.00 N ATOM 371 CA PHE A 25 -2.857 1.443 -7.165 1.00 10.00 C ATOM 372 C PHE A 25 -1.793 1.449 -6.054 1.00 10.00 C ATOM 373 O PHE A 25 -1.862 2.259 -5.125 1.00 10.00 O ATOM 374 CB PHE A 25 -2.431 2.316 -8.361 1.00 10.00 C ATOM 375 CG PHE A 25 -1.054 2.053 -8.950 1.00 10.00 C ATOM 376 CD1 PHE A 25 -0.687 0.759 -9.361 1.00 10.00 C ATOM 377 CD2 PHE A 25 -0.144 3.115 -9.120 1.00 10.00 C ATOM 378 CE1 PHE A 25 0.565 0.527 -9.948 1.00 10.00 C ATOM 379 CE2 PHE A 25 1.116 2.882 -9.702 1.00 10.00 C ATOM 380 CZ PHE A 25 1.470 1.588 -10.119 1.00 10.00 C ATOM 0 H PHE A 25 -4.462 2.758 -7.241 1.00 10.00 H new ATOM 0 HA PHE A 25 -2.953 0.399 -7.463 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -3.169 2.189 -9.153 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -2.473 3.360 -8.051 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -1.375 -0.062 -9.223 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -0.414 4.111 -8.803 1.00 10.00 H new ATOM 0 HE1 PHE A 25 0.834 -0.468 -10.269 1.00 10.00 H new ATOM 0 HE2 PHE A 25 1.811 3.699 -9.828 1.00 10.00 H new ATOM 0 HZ PHE A 25 2.435 1.409 -10.570 1.00 10.00 H new ATOM 390 N LYS A 26 -0.765 0.593 -6.192 1.00 10.00 N ATOM 391 CA LYS A 26 0.456 0.650 -5.384 1.00 10.00 C ATOM 392 C LYS A 26 1.673 0.433 -6.296 1.00 10.00 C ATOM 393 O LYS A 26 2.415 1.399 -6.489 1.00 10.00 O ATOM 394 CB LYS A 26 0.354 -0.324 -4.189 1.00 10.00 C ATOM 395 CG LYS A 26 1.232 0.029 -2.976 1.00 10.00 C ATOM 396 CD LYS A 26 2.739 -0.151 -3.220 1.00 10.00 C ATOM 397 CE LYS A 26 3.583 0.096 -1.958 1.00 10.00 C ATOM 398 NZ LYS A 26 3.419 -0.957 -0.923 1.00 10.00 N ATOM 0 H LYS A 26 -0.763 -0.164 -6.876 1.00 10.00 H new ATOM 0 HA LYS A 26 0.586 1.634 -4.933 1.00 10.00 H new ATOM 0 HB2 LYS A 26 -0.686 -0.367 -3.864 1.00 10.00 H new ATOM 0 HB3 LYS A 26 0.622 -1.323 -4.532 1.00 10.00 H new ATOM 0 HG2 LYS A 26 1.042 1.064 -2.692 1.00 10.00 H new ATOM 0 HG3 LYS A 26 0.934 -0.593 -2.132 1.00 10.00 H new ATOM 0 HD2 LYS A 26 2.925 -1.162 -3.583 1.00 10.00 H new ATOM 0 HD3 LYS A 26 3.059 0.534 -4.005 1.00 10.00 H new ATOM 0 HE2 LYS A 26 4.634 0.158 -2.239 1.00 10.00 H new ATOM 0 HE3 LYS A 26 3.310 1.061 -1.531 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 4.039 -0.749 -0.115 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 2.429 -0.979 -0.604 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 3.673 -1.882 -1.325 1.00 10.00 H new ATOM 412 N SER A 27 1.847 -0.746 -6.912 1.00 10.00 N ATOM 413 CA SER A 27 3.002 -1.045 -7.770 1.00 10.00 C ATOM 414 C SER A 27 2.651 -2.068 -8.858 1.00 10.00 C ATOM 415 O SER A 27 1.846 -2.971 -8.630 1.00 10.00 O ATOM 416 CB SER A 27 4.148 -1.625 -6.921 1.00 10.00 C ATOM 417 OG SER A 27 4.541 -0.752 -5.877 1.00 10.00 O ATOM 0 H SER A 27 1.189 -1.521 -6.828 1.00 10.00 H new ATOM 0 HA SER A 27 3.303 -0.111 -8.244 1.00 10.00 H new ATOM 0 HB2 SER A 27 3.835 -2.578 -6.495 1.00 10.00 H new ATOM 0 HB3 SER A 27 5.005 -1.829 -7.563 1.00 10.00 H new ATOM 0 HG SER A 27 5.269 -1.162 -5.364 1.00 10.00 H new ATOM 423 N LYS A 28 3.318 -1.986 -10.015 1.00 10.00 N ATOM 424 CA LYS A 28 3.293 -3.008 -11.067 1.00 10.00 C ATOM 425 C LYS A 28 4.675 -3.070 -11.720 1.00 10.00 C ATOM 426 O LYS A 28 5.383 -2.061 -11.743 1.00 10.00 O ATOM 427 CB LYS A 28 2.173 -2.737 -12.099 1.00 10.00 C ATOM 428 CG LYS A 28 2.277 -1.382 -12.829 1.00 10.00 C ATOM 429 CD LYS A 28 1.161 -1.146 -13.863 1.00 10.00 C ATOM 430 CE LYS A 28 1.443 -1.909 -15.168 1.00 10.00 C ATOM 431 NZ LYS A 28 0.506 -1.564 -16.266 1.00 10.00 N ATOM 0 H LYS A 28 3.905 -1.186 -10.251 1.00 10.00 H new ATOM 0 HA LYS A 28 3.064 -3.979 -10.627 1.00 10.00 H new ATOM 0 HB2 LYS A 28 2.182 -3.535 -12.842 1.00 10.00 H new ATOM 0 HB3 LYS A 28 1.210 -2.786 -11.590 1.00 10.00 H new ATOM 0 HG2 LYS A 28 2.252 -0.580 -12.092 1.00 10.00 H new ATOM 0 HG3 LYS A 28 3.243 -1.323 -13.331 1.00 10.00 H new ATOM 0 HD2 LYS A 28 0.205 -1.467 -13.450 1.00 10.00 H new ATOM 0 HD3 LYS A 28 1.075 -0.080 -14.073 1.00 10.00 H new ATOM 0 HE2 LYS A 28 2.463 -1.698 -15.491 1.00 10.00 H new ATOM 0 HE3 LYS A 28 1.385 -2.980 -14.974 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 1.012 -1.587 -17.174 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -0.273 -2.252 -16.287 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 0.122 -0.611 -16.108 1.00 10.00 H new ATOM 445 N TYR A 29 5.052 -4.230 -12.256 1.00 10.00 N ATOM 446 CA TYR A 29 6.288 -4.452 -12.999 1.00 10.00 C ATOM 447 C TYR A 29 6.062 -5.587 -14.000 1.00 10.00 C ATOM 448 O TYR A 29 5.163 -6.412 -13.817 1.00 10.00 O ATOM 449 CB TYR A 29 7.448 -4.778 -12.041 1.00 10.00 C ATOM 450 CG TYR A 29 7.357 -6.106 -11.304 1.00 10.00 C ATOM 451 CD1 TYR A 29 6.589 -6.218 -10.128 1.00 10.00 C ATOM 452 CD2 TYR A 29 8.077 -7.223 -11.775 1.00 10.00 C ATOM 453 CE1 TYR A 29 6.544 -7.433 -9.420 1.00 10.00 C ATOM 454 CE2 TYR A 29 8.041 -8.439 -11.070 1.00 10.00 C ATOM 455 CZ TYR A 29 7.278 -8.549 -9.885 1.00 10.00 C ATOM 456 OH TYR A 29 7.268 -9.729 -9.202 1.00 10.00 O ATOM 0 H TYR A 29 4.482 -5.072 -12.181 1.00 10.00 H new ATOM 0 HA TYR A 29 6.561 -3.545 -13.539 1.00 10.00 H new ATOM 0 HB2 TYR A 29 8.377 -4.765 -12.611 1.00 10.00 H new ATOM 0 HB3 TYR A 29 7.517 -3.980 -11.302 1.00 10.00 H new ATOM 0 HD1 TYR A 29 6.031 -5.366 -9.768 1.00 10.00 H new ATOM 0 HD2 TYR A 29 8.659 -7.144 -12.681 1.00 10.00 H new ATOM 0 HE1 TYR A 29 5.949 -7.513 -8.522 1.00 10.00 H new ATOM 0 HE2 TYR A 29 8.597 -9.290 -11.434 1.00 10.00 H new ATOM 0 HH TYR A 29 7.828 -10.383 -9.670 1.00 10.00 H new ATOM 466 N TYR A 30 6.862 -5.635 -15.065 1.00 10.00 N ATOM 467 CA TYR A 30 6.800 -6.707 -16.048 1.00 10.00 C ATOM 468 C TYR A 30 7.828 -7.757 -15.638 1.00 10.00 C ATOM 469 O TYR A 30 9.018 -7.448 -15.524 1.00 10.00 O ATOM 470 CB TYR A 30 7.063 -6.145 -17.448 1.00 10.00 C ATOM 471 CG TYR A 30 6.821 -7.141 -18.566 1.00 10.00 C ATOM 472 CD1 TYR A 30 5.504 -7.431 -18.969 1.00 10.00 C ATOM 473 CD2 TYR A 30 7.905 -7.752 -19.225 1.00 10.00 C ATOM 474 CE1 TYR A 30 5.266 -8.298 -20.049 1.00 10.00 C ATOM 475 CE2 TYR A 30 7.677 -8.618 -20.308 1.00 10.00 C ATOM 476 CZ TYR A 30 6.354 -8.882 -20.736 1.00 10.00 C ATOM 477 OH TYR A 30 6.116 -9.688 -21.810 1.00 10.00 O ATOM 0 H TYR A 30 7.570 -4.930 -15.267 1.00 10.00 H new ATOM 0 HA TYR A 30 5.813 -7.168 -16.081 1.00 10.00 H new ATOM 0 HB2 TYR A 30 6.425 -5.275 -17.605 1.00 10.00 H new ATOM 0 HB3 TYR A 30 8.095 -5.798 -17.501 1.00 10.00 H new ATOM 0 HD1 TYR A 30 4.672 -6.985 -18.445 1.00 10.00 H new ATOM 0 HD2 TYR A 30 8.915 -7.554 -18.897 1.00 10.00 H new ATOM 0 HE1 TYR A 30 4.253 -8.518 -20.353 1.00 10.00 H new ATOM 0 HE2 TYR A 30 8.511 -9.082 -20.814 1.00 10.00 H new ATOM 0 HH TYR A 30 6.968 -10.010 -22.172 1.00 10.00 H new ATOM 487 N ASP A 31 7.379 -8.983 -15.377 1.00 10.00 N ATOM 488 CA ASP A 31 8.255 -10.093 -15.033 1.00 10.00 C ATOM 489 C ASP A 31 8.662 -10.808 -16.316 1.00 10.00 C ATOM 490 O ASP A 31 8.010 -11.757 -16.761 1.00 10.00 O ATOM 491 CB ASP A 31 7.613 -11.067 -14.040 1.00 10.00 C ATOM 492 CG ASP A 31 8.555 -12.251 -13.750 1.00 10.00 C ATOM 493 OD1 ASP A 31 9.786 -12.123 -13.958 1.00 10.00 O ATOM 494 OD2 ASP A 31 8.068 -13.305 -13.288 1.00 10.00 O ATOM 0 H ASP A 31 6.390 -9.232 -15.399 1.00 10.00 H new ATOM 0 HA ASP A 31 9.136 -9.693 -14.531 1.00 10.00 H new ATOM 0 HB2 ASP A 31 7.380 -10.546 -13.111 1.00 10.00 H new ATOM 0 HB3 ASP A 31 6.670 -11.437 -14.444 1.00 10.00 H new ATOM 499 N SER A 32 9.747 -10.337 -16.924 1.00 10.00 N ATOM 500 CA SER A 32 10.330 -10.896 -18.136 1.00 10.00 C ATOM 501 C SER A 32 10.685 -12.389 -18.010 1.00 10.00 C ATOM 502 O SER A 32 10.848 -13.056 -19.034 1.00 10.00 O ATOM 503 CB SER A 32 11.571 -10.072 -18.508 1.00 10.00 C ATOM 504 OG SER A 32 11.300 -8.679 -18.424 1.00 10.00 O ATOM 0 H SER A 32 10.260 -9.528 -16.573 1.00 10.00 H new ATOM 0 HA SER A 32 9.580 -10.838 -18.925 1.00 10.00 H new ATOM 0 HB2 SER A 32 12.395 -10.327 -17.841 1.00 10.00 H new ATOM 0 HB3 SER A 32 11.890 -10.324 -19.519 1.00 10.00 H new ATOM 0 HG SER A 32 12.105 -8.174 -18.664 1.00 10.00 H new ATOM 510 N SER A 33 10.774 -12.941 -16.792 1.00 10.00 N ATOM 511 CA SER A 33 11.010 -14.368 -16.568 1.00 10.00 C ATOM 512 C SER A 33 9.852 -15.225 -17.106 1.00 10.00 C ATOM 513 O SER A 33 10.065 -16.390 -17.453 1.00 10.00 O ATOM 514 CB SER A 33 11.218 -14.656 -15.071 1.00 10.00 C ATOM 515 OG SER A 33 11.857 -13.587 -14.396 1.00 10.00 O ATOM 0 H SER A 33 10.683 -12.403 -15.930 1.00 10.00 H new ATOM 0 HA SER A 33 11.915 -14.636 -17.114 1.00 10.00 H new ATOM 0 HB2 SER A 33 10.252 -14.851 -14.604 1.00 10.00 H new ATOM 0 HB3 SER A 33 11.815 -15.561 -14.958 1.00 10.00 H new ATOM 0 HG SER A 33 11.207 -13.123 -13.828 1.00 10.00 H new ATOM 521 N LYS A 34 8.639 -14.661 -17.190 1.00 10.00 N ATOM 522 CA LYS A 34 7.425 -15.355 -17.636 1.00 10.00 C ATOM 523 C LYS A 34 6.667 -14.561 -18.707 1.00 10.00 C ATOM 524 O LYS A 34 5.797 -15.128 -19.367 1.00 10.00 O ATOM 525 CB LYS A 34 6.523 -15.644 -16.425 1.00 10.00 C ATOM 526 CG LYS A 34 7.107 -16.718 -15.494 1.00 10.00 C ATOM 527 CD LYS A 34 6.177 -16.970 -14.301 1.00 10.00 C ATOM 528 CE LYS A 34 6.737 -18.087 -13.411 1.00 10.00 C ATOM 529 NZ LYS A 34 5.864 -18.362 -12.244 1.00 10.00 N ATOM 0 H LYS A 34 8.472 -13.685 -16.943 1.00 10.00 H new ATOM 0 HA LYS A 34 7.723 -16.297 -18.097 1.00 10.00 H new ATOM 0 HB2 LYS A 34 6.372 -14.723 -15.861 1.00 10.00 H new ATOM 0 HB3 LYS A 34 5.543 -15.967 -16.776 1.00 10.00 H new ATOM 0 HG2 LYS A 34 7.254 -17.645 -16.048 1.00 10.00 H new ATOM 0 HG3 LYS A 34 8.087 -16.402 -15.136 1.00 10.00 H new ATOM 0 HD2 LYS A 34 6.065 -16.055 -13.719 1.00 10.00 H new ATOM 0 HD3 LYS A 34 5.184 -17.244 -14.658 1.00 10.00 H new ATOM 0 HE2 LYS A 34 6.851 -18.997 -14.000 1.00 10.00 H new ATOM 0 HE3 LYS A 34 7.731 -17.807 -13.062 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 6.281 -19.123 -11.671 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 5.776 -17.502 -11.666 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 4.923 -18.654 -12.576 1.00 10.00 H new ATOM 543 N GLY A 35 7.010 -13.288 -18.925 1.00 10.00 N ATOM 544 CA GLY A 35 6.455 -12.482 -19.999 1.00 10.00 C ATOM 545 C GLY A 35 5.035 -12.026 -19.672 1.00 10.00 C ATOM 546 O GLY A 35 4.140 -12.157 -20.510 1.00 10.00 O ATOM 0 H GLY A 35 7.689 -12.789 -18.350 1.00 10.00 H new ATOM 0 HA2 GLY A 35 7.089 -11.612 -20.169 1.00 10.00 H new ATOM 0 HA3 GLY A 35 6.450 -13.058 -20.924 1.00 10.00 H new ATOM 550 N TYR A 36 4.813 -11.534 -18.450 1.00 10.00 N ATOM 551 CA TYR A 36 3.532 -10.986 -18.010 1.00 10.00 C ATOM 552 C TYR A 36 3.755 -9.873 -16.986 1.00 10.00 C ATOM 553 O TYR A 36 4.855 -9.738 -16.443 1.00 10.00 O ATOM 554 CB TYR A 36 2.599 -12.098 -17.488 1.00 10.00 C ATOM 555 CG TYR A 36 2.933 -12.880 -16.219 1.00 10.00 C ATOM 556 CD1 TYR A 36 4.182 -12.810 -15.564 1.00 10.00 C ATOM 557 CD2 TYR A 36 1.934 -13.727 -15.696 1.00 10.00 C ATOM 558 CE1 TYR A 36 4.418 -13.560 -14.399 1.00 10.00 C ATOM 559 CE2 TYR A 36 2.167 -14.488 -14.537 1.00 10.00 C ATOM 560 CZ TYR A 36 3.415 -14.404 -13.879 1.00 10.00 C ATOM 561 OH TYR A 36 3.661 -15.125 -12.752 1.00 10.00 O ATOM 0 H TYR A 36 5.533 -11.506 -17.728 1.00 10.00 H new ATOM 0 HA TYR A 36 3.026 -10.540 -18.866 1.00 10.00 H new ATOM 0 HB2 TYR A 36 1.619 -11.645 -17.334 1.00 10.00 H new ATOM 0 HB3 TYR A 36 2.491 -12.826 -18.292 1.00 10.00 H new ATOM 0 HD1 TYR A 36 4.961 -12.176 -15.961 1.00 10.00 H new ATOM 0 HD2 TYR A 36 0.977 -13.792 -16.192 1.00 10.00 H new ATOM 0 HE1 TYR A 36 5.373 -13.490 -13.899 1.00 10.00 H new ATOM 0 HE2 TYR A 36 1.394 -15.135 -14.150 1.00 10.00 H new ATOM 0 HH TYR A 36 2.819 -15.489 -12.406 1.00 10.00 H new ATOM 571 N TRP A 37 2.729 -9.061 -16.724 1.00 10.00 N ATOM 572 CA TRP A 37 2.784 -8.082 -15.651 1.00 10.00 C ATOM 573 C TRP A 37 2.452 -8.771 -14.333 1.00 10.00 C ATOM 574 O TRP A 37 1.661 -9.718 -14.290 1.00 10.00 O ATOM 575 CB TRP A 37 1.824 -6.923 -15.929 1.00 10.00 C ATOM 576 CG TRP A 37 2.289 -5.980 -16.998 1.00 10.00 C ATOM 577 CD1 TRP A 37 2.030 -6.082 -18.319 1.00 10.00 C ATOM 578 CD2 TRP A 37 3.125 -4.792 -16.852 1.00 10.00 C ATOM 579 NE1 TRP A 37 2.638 -5.045 -18.997 1.00 10.00 N ATOM 580 CE2 TRP A 37 3.341 -4.224 -18.142 1.00 10.00 C ATOM 581 CE3 TRP A 37 3.722 -4.139 -15.754 1.00 10.00 C ATOM 582 CZ2 TRP A 37 4.122 -3.072 -18.331 1.00 10.00 C ATOM 583 CZ3 TRP A 37 4.517 -2.988 -15.932 1.00 10.00 C ATOM 584 CH2 TRP A 37 4.717 -2.455 -17.217 1.00 10.00 C ATOM 0 H TRP A 37 1.852 -9.067 -17.244 1.00 10.00 H new ATOM 0 HA TRP A 37 3.788 -7.663 -15.589 1.00 10.00 H new ATOM 0 HB2 TRP A 37 0.855 -7.330 -16.217 1.00 10.00 H new ATOM 0 HB3 TRP A 37 1.673 -6.362 -15.007 1.00 10.00 H new ATOM 0 HD1 TRP A 37 1.436 -6.859 -18.777 1.00 10.00 H new ATOM 0 HE1 TRP A 37 2.575 -4.904 -20.005 1.00 10.00 H new ATOM 0 HE3 TRP A 37 3.568 -4.528 -14.758 1.00 10.00 H new ATOM 0 HZ2 TRP A 37 4.264 -2.665 -19.321 1.00 10.00 H new ATOM 0 HZ3 TRP A 37 4.975 -2.514 -15.076 1.00 10.00 H new ATOM 0 HH2 TRP A 37 5.327 -1.573 -17.348 1.00 10.00 H new ATOM 595 N VAL A 38 3.025 -8.246 -13.257 1.00 10.00 N ATOM 596 CA VAL A 38 2.832 -8.662 -11.878 1.00 10.00 C ATOM 597 C VAL A 38 2.734 -7.359 -11.072 1.00 10.00 C ATOM 598 O VAL A 38 3.265 -6.328 -11.497 1.00 10.00 O ATOM 599 CB VAL A 38 4.019 -9.553 -11.432 1.00 10.00 C ATOM 600 CG1 VAL A 38 3.809 -10.117 -10.017 1.00 10.00 C ATOM 601 CG2 VAL A 38 4.264 -10.741 -12.381 1.00 10.00 C ATOM 0 H VAL A 38 3.679 -7.467 -13.332 1.00 10.00 H new ATOM 0 HA VAL A 38 1.935 -9.264 -11.732 1.00 10.00 H new ATOM 0 HB VAL A 38 4.888 -8.895 -11.451 1.00 10.00 H new ATOM 0 HG11 VAL A 38 4.663 -10.736 -9.742 1.00 10.00 H new ATOM 0 HG12 VAL A 38 3.713 -9.295 -9.308 1.00 10.00 H new ATOM 0 HG13 VAL A 38 2.902 -10.721 -9.997 1.00 10.00 H new ATOM 0 HG21 VAL A 38 5.107 -11.329 -12.018 1.00 10.00 H new ATOM 0 HG22 VAL A 38 3.373 -11.368 -12.417 1.00 10.00 H new ATOM 0 HG23 VAL A 38 4.486 -10.368 -13.381 1.00 10.00 H new ATOM 611 N GLY A 39 2.062 -7.360 -9.923 1.00 10.00 N ATOM 612 CA GLY A 39 1.953 -6.160 -9.115 1.00 10.00 C ATOM 613 C GLY A 39 1.419 -6.417 -7.717 1.00 10.00 C ATOM 614 O GLY A 39 0.966 -7.518 -7.385 1.00 10.00 O ATOM 0 H GLY A 39 1.589 -8.177 -9.537 1.00 10.00 H new ATOM 0 HA2 GLY A 39 2.934 -5.692 -9.040 1.00 10.00 H new ATOM 0 HA3 GLY A 39 1.299 -5.450 -9.620 1.00 10.00 H new ATOM 618 N ILE A 40 1.467 -5.352 -6.924 1.00 10.00 N ATOM 619 CA ILE A 40 0.939 -5.246 -5.576 1.00 10.00 C ATOM 620 C ILE A 40 -0.103 -4.153 -5.739 1.00 10.00 C ATOM 621 O ILE A 40 0.227 -3.051 -6.184 1.00 10.00 O ATOM 622 CB ILE A 40 2.043 -4.843 -4.564 1.00 10.00 C ATOM 623 CG1 ILE A 40 3.273 -5.779 -4.627 1.00 10.00 C ATOM 624 CG2 ILE A 40 1.443 -4.797 -3.144 1.00 10.00 C ATOM 625 CD1 ILE A 40 4.434 -5.345 -3.722 1.00 10.00 C ATOM 0 H ILE A 40 1.906 -4.484 -7.230 1.00 10.00 H new ATOM 0 HA ILE A 40 0.538 -6.179 -5.181 1.00 10.00 H new ATOM 0 HB ILE A 40 2.406 -3.851 -4.834 1.00 10.00 H new ATOM 0 HG12 ILE A 40 2.965 -6.786 -4.347 1.00 10.00 H new ATOM 0 HG13 ILE A 40 3.627 -5.828 -5.657 1.00 10.00 H new ATOM 0 HG21 ILE A 40 2.217 -4.514 -2.431 1.00 10.00 H new ATOM 0 HG22 ILE A 40 0.636 -4.065 -3.113 1.00 10.00 H new ATOM 0 HG23 ILE A 40 1.051 -5.780 -2.883 1.00 10.00 H new ATOM 0 HD11 ILE A 40 5.258 -6.052 -3.823 1.00 10.00 H new ATOM 0 HD12 ILE A 40 4.771 -4.351 -4.015 1.00 10.00 H new ATOM 0 HD13 ILE A 40 4.099 -5.324 -2.685 1.00 10.00 H new ATOM 637 N TYR A 41 -1.363 -4.457 -5.464 1.00 10.00 N ATOM 638 CA TYR A 41 -2.456 -3.628 -5.936 1.00 10.00 C ATOM 639 C TYR A 41 -3.546 -3.670 -4.886 1.00 10.00 C ATOM 640 O TYR A 41 -3.901 -4.746 -4.418 1.00 10.00 O ATOM 641 CB TYR A 41 -2.946 -4.184 -7.291 1.00 10.00 C ATOM 642 CG TYR A 41 -2.964 -3.174 -8.423 1.00 10.00 C ATOM 643 CD1 TYR A 41 -3.764 -2.024 -8.318 1.00 10.00 C ATOM 644 CD2 TYR A 41 -2.219 -3.401 -9.596 1.00 10.00 C ATOM 645 CE1 TYR A 41 -3.846 -1.118 -9.390 1.00 10.00 C ATOM 646 CE2 TYR A 41 -2.309 -2.508 -10.680 1.00 10.00 C ATOM 647 CZ TYR A 41 -3.126 -1.361 -10.578 1.00 10.00 C ATOM 648 OH TYR A 41 -3.157 -0.444 -11.582 1.00 10.00 O ATOM 0 H TYR A 41 -1.651 -5.269 -4.918 1.00 10.00 H new ATOM 0 HA TYR A 41 -2.150 -2.593 -6.089 1.00 10.00 H new ATOM 0 HB2 TYR A 41 -2.307 -5.019 -7.578 1.00 10.00 H new ATOM 0 HB3 TYR A 41 -3.952 -4.582 -7.162 1.00 10.00 H new ATOM 0 HD1 TYR A 41 -4.318 -1.835 -7.410 1.00 10.00 H new ATOM 0 HD2 TYR A 41 -1.575 -4.265 -9.664 1.00 10.00 H new ATOM 0 HE1 TYR A 41 -4.461 -0.235 -9.304 1.00 10.00 H new ATOM 0 HE2 TYR A 41 -1.755 -2.699 -11.587 1.00 10.00 H new ATOM 0 HH TYR A 41 -2.375 0.143 -11.513 1.00 10.00 H new ATOM 658 N GLU A 42 -4.124 -2.525 -4.540 1.00 10.00 N ATOM 659 CA GLU A 42 -5.283 -2.454 -3.666 1.00 10.00 C ATOM 660 C GLU A 42 -6.488 -2.059 -4.522 1.00 10.00 C ATOM 661 O GLU A 42 -7.313 -1.287 -4.066 1.00 10.00 O ATOM 662 CB GLU A 42 -4.986 -1.521 -2.469 1.00 10.00 C ATOM 663 CG GLU A 42 -6.006 -1.653 -1.326 1.00 10.00 C ATOM 664 CD GLU A 42 -5.486 -1.071 -0.002 1.00 10.00 C ATOM 665 OE1 GLU A 42 -5.180 0.141 0.073 1.00 10.00 O ATOM 666 OE2 GLU A 42 -5.419 -1.830 0.992 1.00 10.00 O ATOM 0 H GLU A 42 -3.797 -1.614 -4.862 1.00 10.00 H new ATOM 0 HA GLU A 42 -5.522 -3.414 -3.209 1.00 10.00 H new ATOM 0 HB2 GLU A 42 -3.990 -1.741 -2.085 1.00 10.00 H new ATOM 0 HB3 GLU A 42 -4.973 -0.488 -2.817 1.00 10.00 H new ATOM 0 HG2 GLU A 42 -6.928 -1.143 -1.606 1.00 10.00 H new ATOM 0 HG3 GLU A 42 -6.254 -2.705 -1.184 1.00 10.00 H new ATOM 673 N VAL A 43 -6.591 -2.544 -5.772 1.00 10.00 N ATOM 674 CA VAL A 43 -7.815 -2.433 -6.575 1.00 10.00 C ATOM 675 C VAL A 43 -7.886 -3.520 -7.653 1.00 10.00 C ATOM 676 O VAL A 43 -8.946 -4.127 -7.818 1.00 10.00 O ATOM 677 CB VAL A 43 -8.003 -1.008 -7.164 1.00 10.00 C ATOM 678 CG1 VAL A 43 -6.839 -0.467 -7.994 1.00 10.00 C ATOM 679 CG2 VAL A 43 -9.281 -0.890 -7.998 1.00 10.00 C ATOM 0 H VAL A 43 -5.828 -3.023 -6.250 1.00 10.00 H new ATOM 0 HA VAL A 43 -8.655 -2.600 -5.900 1.00 10.00 H new ATOM 0 HB VAL A 43 -8.063 -0.392 -6.267 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -7.082 0.533 -8.353 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -5.942 -0.423 -7.377 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -6.662 -1.125 -8.845 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -9.368 0.124 -8.388 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -9.241 -1.596 -8.828 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -10.145 -1.114 -7.373 1.00 10.00 H new ATOM 689 N TRP A 44 -6.795 -3.769 -8.393 1.00 10.00 N ATOM 690 CA TRP A 44 -6.844 -4.654 -9.553 1.00 10.00 C ATOM 691 C TRP A 44 -7.159 -6.094 -9.122 1.00 10.00 C ATOM 692 O TRP A 44 -6.813 -6.518 -8.017 1.00 10.00 O ATOM 693 CB TRP A 44 -5.539 -4.552 -10.361 1.00 10.00 C ATOM 694 CG TRP A 44 -5.521 -5.236 -11.700 1.00 10.00 C ATOM 695 CD1 TRP A 44 -6.575 -5.367 -12.539 1.00 10.00 C ATOM 696 CD2 TRP A 44 -4.391 -5.850 -12.401 1.00 10.00 C ATOM 697 NE1 TRP A 44 -6.204 -6.102 -13.640 1.00 10.00 N ATOM 698 CE2 TRP A 44 -4.860 -6.398 -13.632 1.00 10.00 C ATOM 699 CE3 TRP A 44 -3.017 -6.009 -12.122 1.00 10.00 C ATOM 700 CZ2 TRP A 44 -4.018 -7.077 -14.527 1.00 10.00 C ATOM 701 CZ3 TRP A 44 -2.158 -6.685 -13.010 1.00 10.00 C ATOM 702 CH2 TRP A 44 -2.656 -7.222 -14.210 1.00 10.00 C ATOM 0 H TRP A 44 -5.875 -3.370 -8.205 1.00 10.00 H new ATOM 0 HA TRP A 44 -7.653 -4.337 -10.211 1.00 10.00 H new ATOM 0 HB2 TRP A 44 -5.315 -3.496 -10.515 1.00 10.00 H new ATOM 0 HB3 TRP A 44 -4.731 -4.965 -9.757 1.00 10.00 H new ATOM 0 HD1 TRP A 44 -7.559 -4.956 -12.369 1.00 10.00 H new ATOM 0 HE1 TRP A 44 -6.848 -6.393 -14.375 1.00 10.00 H new ATOM 0 HE3 TRP A 44 -2.615 -5.603 -11.206 1.00 10.00 H new ATOM 0 HZ2 TRP A 44 -4.412 -7.483 -15.447 1.00 10.00 H new ATOM 0 HZ3 TRP A 44 -1.111 -6.791 -12.768 1.00 10.00 H new ATOM 0 HH2 TRP A 44 -1.995 -7.744 -14.886 1.00 10.00 H new