USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 428 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 44 THR OG1 : rot 180:sc= -0.669 USER MOD Set 1.2: A 53 THR OG1 : rot 140:sc= -0.109 USER MOD Set 2.1: A 8 ASN : amide:sc= -1.15 K(o=-1.2,f=-6.7!) USER MOD Set 2.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 THR N :NH3+ 143:sc= 0.264 (180deg=0.0512) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.146 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 166:sc= -0.798 (180deg=-0.846) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -150:sc= -0.452 USER MOD Single : A 25 THR OG1 : rot -170:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.665 K(o=-0.67,f=-0.13) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc=-0.00356 X(o=-0.0036,f=0) USER MOD Single : A 37 ASN : amide:sc= -0.783 K(o=-0.78,f=-5.3!) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.738 USER MOD Single : A 49 THR OG1 : rot -43:sc= 0.953 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -30:sc= -3.33! USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 13.561 6.709 4.491 1.00 0.00 N ATOM 2 CA THR A 1 13.341 6.004 3.195 1.00 0.00 C ATOM 3 C THR A 1 12.399 4.813 3.394 1.00 0.00 C ATOM 4 O THR A 1 12.722 3.690 3.053 1.00 0.00 O ATOM 5 CB THR A 1 14.730 5.528 2.763 1.00 0.00 C ATOM 6 OG1 THR A 1 15.662 6.589 2.921 1.00 0.00 O ATOM 7 CG2 THR A 1 14.690 5.095 1.297 1.00 0.00 C ATOM 0 H1 THR A 1 14.546 7.038 4.545 1.00 0.00 H new ATOM 0 H2 THR A 1 12.920 7.525 4.555 1.00 0.00 H new ATOM 0 H3 THR A 1 13.371 6.056 5.278 1.00 0.00 H new ATOM 0 HA THR A 1 12.881 6.648 2.446 1.00 0.00 H new ATOM 0 HB THR A 1 15.033 4.682 3.380 1.00 0.00 H new ATOM 0 HG1 THR A 1 16.553 6.286 2.647 1.00 0.00 H new ATOM 0 HG21 THR A 1 15.680 4.756 0.991 1.00 0.00 H new ATOM 0 HG22 THR A 1 13.975 4.281 1.177 1.00 0.00 H new ATOM 0 HG23 THR A 1 14.387 5.938 0.677 1.00 0.00 H new ATOM 17 N THR A 2 11.237 5.054 3.945 1.00 0.00 N ATOM 18 CA THR A 2 10.264 3.944 4.172 1.00 0.00 C ATOM 19 C THR A 2 9.053 4.106 3.248 1.00 0.00 C ATOM 20 O THR A 2 8.569 5.202 3.034 1.00 0.00 O ATOM 21 CB THR A 2 9.843 4.076 5.637 1.00 0.00 C ATOM 22 OG1 THR A 2 10.986 4.361 6.432 1.00 0.00 O ATOM 23 CG2 THR A 2 9.206 2.768 6.106 1.00 0.00 C ATOM 0 H THR A 2 10.920 5.975 4.248 1.00 0.00 H new ATOM 0 HA THR A 2 10.697 2.966 3.960 1.00 0.00 H new ATOM 0 HB THR A 2 9.120 4.885 5.737 1.00 0.00 H new ATOM 0 HG1 THR A 2 10.718 4.448 7.371 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.906 2.863 7.150 1.00 0.00 H new ATOM 0 HG22 THR A 2 8.330 2.551 5.495 1.00 0.00 H new ATOM 0 HG23 THR A 2 9.927 1.956 6.008 1.00 0.00 H new ATOM 31 N PHE A 3 8.565 3.023 2.699 1.00 0.00 N ATOM 32 CA PHE A 3 7.385 3.105 1.784 1.00 0.00 C ATOM 33 C PHE A 3 6.101 3.291 2.599 1.00 0.00 C ATOM 34 O PHE A 3 6.071 3.035 3.788 1.00 0.00 O ATOM 35 CB PHE A 3 7.363 1.769 1.034 1.00 0.00 C ATOM 36 CG PHE A 3 8.652 1.597 0.261 1.00 0.00 C ATOM 37 CD1 PHE A 3 9.080 2.597 -0.623 1.00 0.00 C ATOM 38 CD2 PHE A 3 9.422 0.438 0.430 1.00 0.00 C ATOM 39 CE1 PHE A 3 10.274 2.438 -1.335 1.00 0.00 C ATOM 40 CE2 PHE A 3 10.616 0.280 -0.283 1.00 0.00 C ATOM 41 CZ PHE A 3 11.042 1.279 -1.166 1.00 0.00 C ATOM 0 H PHE A 3 8.933 2.083 2.845 1.00 0.00 H new ATOM 0 HA PHE A 3 7.451 3.949 1.098 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.238 0.947 1.739 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.512 1.737 0.353 1.00 0.00 H new ATOM 0 HD1 PHE A 3 8.488 3.491 -0.755 1.00 0.00 H new ATOM 0 HD2 PHE A 3 9.094 -0.334 1.111 1.00 0.00 H new ATOM 0 HE1 PHE A 3 10.604 3.209 -2.015 1.00 0.00 H new ATOM 0 HE2 PHE A 3 11.209 -0.613 -0.152 1.00 0.00 H new ATOM 0 HZ PHE A 3 11.963 1.156 -1.717 1.00 0.00 H new ATOM 51 N LYS A 4 5.043 3.739 1.968 1.00 0.00 N ATOM 52 CA LYS A 4 3.759 3.948 2.705 1.00 0.00 C ATOM 53 C LYS A 4 2.566 3.566 1.829 1.00 0.00 C ATOM 54 O LYS A 4 2.641 3.601 0.620 1.00 0.00 O ATOM 55 CB LYS A 4 3.717 5.446 3.012 1.00 0.00 C ATOM 56 CG LYS A 4 2.629 5.725 4.052 1.00 0.00 C ATOM 57 CD LYS A 4 2.647 7.208 4.425 1.00 0.00 C ATOM 58 CE LYS A 4 1.223 7.674 4.741 1.00 0.00 C ATOM 59 NZ LYS A 4 1.131 7.648 6.228 1.00 0.00 N ATOM 0 H LYS A 4 5.014 3.969 0.975 1.00 0.00 H new ATOM 0 HA LYS A 4 3.706 3.335 3.605 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.686 5.779 3.386 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.516 6.009 2.101 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.652 5.451 3.654 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.794 5.114 4.939 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.293 7.369 5.288 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.059 7.795 3.604 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.040 8.675 4.351 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.482 7.015 4.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.285 8.171 6.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.066 6.663 6.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.978 8.092 6.636 1.00 0.00 H new ATOM 73 N LEU A 5 1.462 3.224 2.440 1.00 0.00 N ATOM 74 CA LEU A 5 0.239 2.861 1.663 1.00 0.00 C ATOM 75 C LEU A 5 -1.002 3.188 2.494 1.00 0.00 C ATOM 76 O LEU A 5 -1.069 2.882 3.669 1.00 0.00 O ATOM 77 CB LEU A 5 0.333 1.353 1.404 1.00 0.00 C ATOM 78 CG LEU A 5 -0.401 1.010 0.092 1.00 0.00 C ATOM 79 CD1 LEU A 5 0.494 0.142 -0.803 1.00 0.00 C ATOM 80 CD2 LEU A 5 -1.692 0.249 0.408 1.00 0.00 C ATOM 0 H LEU A 5 1.354 3.180 3.453 1.00 0.00 H new ATOM 0 HA LEU A 5 0.167 3.413 0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.378 1.049 1.339 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -0.108 0.802 2.235 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.639 1.936 -0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.035 -0.094 -1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.410 0.685 -1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.743 -0.782 -0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.209 0.008 -0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.451 -0.672 0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.336 0.869 1.031 1.00 0.00 H new ATOM 92 N ILE A 6 -1.976 3.818 1.894 1.00 0.00 N ATOM 93 CA ILE A 6 -3.212 4.184 2.645 1.00 0.00 C ATOM 94 C ILE A 6 -4.366 3.254 2.258 1.00 0.00 C ATOM 95 O ILE A 6 -4.705 3.119 1.098 1.00 0.00 O ATOM 96 CB ILE A 6 -3.496 5.628 2.222 1.00 0.00 C ATOM 97 CG1 ILE A 6 -2.338 6.528 2.686 1.00 0.00 C ATOM 98 CG2 ILE A 6 -4.816 6.117 2.836 1.00 0.00 C ATOM 99 CD1 ILE A 6 -2.231 6.520 4.216 1.00 0.00 C ATOM 0 H ILE A 6 -1.969 4.096 0.913 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.097 4.089 3.725 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.583 5.672 1.136 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.402 6.181 2.248 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.497 7.547 2.332 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.003 7.145 2.525 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.633 5.481 2.496 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.750 6.073 3.923 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.407 7.162 4.526 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.161 6.890 4.648 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.049 5.503 4.563 1.00 0.00 H new ATOM 111 N ILE A 7 -4.971 2.618 3.229 1.00 0.00 N ATOM 112 CA ILE A 7 -6.109 1.697 2.935 1.00 0.00 C ATOM 113 C ILE A 7 -7.374 2.509 2.642 1.00 0.00 C ATOM 114 O ILE A 7 -7.844 3.261 3.475 1.00 0.00 O ATOM 115 CB ILE A 7 -6.289 0.856 4.204 1.00 0.00 C ATOM 116 CG1 ILE A 7 -4.996 0.091 4.503 1.00 0.00 C ATOM 117 CG2 ILE A 7 -7.430 -0.145 4.002 1.00 0.00 C ATOM 118 CD1 ILE A 7 -5.070 -0.508 5.908 1.00 0.00 C ATOM 0 H ILE A 7 -4.724 2.698 4.216 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.919 1.071 2.063 1.00 0.00 H new ATOM 0 HB ILE A 7 -6.525 1.516 5.039 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.850 -0.699 3.767 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.139 0.760 4.426 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.555 -0.741 4.906 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -8.354 0.394 3.792 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.194 -0.801 3.164 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.150 -1.052 6.120 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.196 0.291 6.638 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.918 -1.191 5.968 1.00 0.00 H new ATOM 130 N ASN A 8 -7.927 2.358 1.466 1.00 0.00 N ATOM 131 CA ASN A 8 -9.164 3.115 1.112 1.00 0.00 C ATOM 132 C ASN A 8 -10.328 2.144 0.910 1.00 0.00 C ATOM 133 O ASN A 8 -10.994 2.161 -0.109 1.00 0.00 O ATOM 134 CB ASN A 8 -8.829 3.841 -0.192 1.00 0.00 C ATOM 135 CG ASN A 8 -8.011 5.097 0.117 1.00 0.00 C ATOM 136 OD1 ASN A 8 -7.350 5.171 1.133 1.00 0.00 O ATOM 137 ND2 ASN A 8 -8.027 6.094 -0.724 1.00 0.00 N ATOM 0 H ASN A 8 -7.574 1.741 0.734 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.464 3.813 1.894 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -8.267 3.182 -0.853 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.746 4.111 -0.716 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -7.484 6.935 -0.528 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -8.582 6.032 -1.578 1.00 0.00 H new ATOM 144 N GLY A 9 -10.573 1.298 1.877 1.00 0.00 N ATOM 145 CA GLY A 9 -11.690 0.317 1.757 1.00 0.00 C ATOM 146 C GLY A 9 -12.992 0.965 2.231 1.00 0.00 C ATOM 147 O GLY A 9 -12.992 1.804 3.112 1.00 0.00 O ATOM 0 H GLY A 9 -10.045 1.245 2.748 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.790 -0.011 0.722 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.475 -0.570 2.353 1.00 0.00 H new ATOM 151 N LYS A 10 -14.100 0.583 1.648 1.00 0.00 N ATOM 152 CA LYS A 10 -15.414 1.173 2.049 1.00 0.00 C ATOM 153 C LYS A 10 -15.657 0.988 3.552 1.00 0.00 C ATOM 154 O LYS A 10 -16.274 1.817 4.194 1.00 0.00 O ATOM 155 CB LYS A 10 -16.463 0.406 1.241 1.00 0.00 C ATOM 156 CG LYS A 10 -16.230 0.642 -0.252 1.00 0.00 C ATOM 157 CD LYS A 10 -17.563 0.551 -0.997 1.00 0.00 C ATOM 158 CE LYS A 10 -17.390 1.083 -2.422 1.00 0.00 C ATOM 159 NZ LYS A 10 -17.176 -0.128 -3.261 1.00 0.00 N ATOM 0 H LYS A 10 -14.151 -0.116 0.907 1.00 0.00 H new ATOM 0 HA LYS A 10 -15.451 2.245 1.855 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.403 -0.659 1.465 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -17.464 0.735 1.520 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -15.779 1.622 -0.410 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -15.531 -0.097 -0.643 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -17.907 -0.483 -1.023 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -18.325 1.128 -0.472 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -18.271 1.637 -2.746 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -16.542 1.765 -2.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -17.049 0.155 -4.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -16.327 -0.632 -2.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -18.002 -0.755 -3.183 1.00 0.00 H new ATOM 173 N THR A 11 -15.179 -0.095 4.111 1.00 0.00 N ATOM 174 CA THR A 11 -15.380 -0.342 5.571 1.00 0.00 C ATOM 175 C THR A 11 -14.040 -0.297 6.309 1.00 0.00 C ATOM 176 O THR A 11 -13.975 0.056 7.472 1.00 0.00 O ATOM 177 CB THR A 11 -15.990 -1.742 5.653 1.00 0.00 C ATOM 178 OG1 THR A 11 -17.165 -1.792 4.856 1.00 0.00 O ATOM 179 CG2 THR A 11 -16.343 -2.063 7.106 1.00 0.00 C ATOM 0 H THR A 11 -14.657 -0.820 3.618 1.00 0.00 H new ATOM 0 HA THR A 11 -16.019 0.411 6.032 1.00 0.00 H new ATOM 0 HB THR A 11 -15.270 -2.474 5.287 1.00 0.00 H new ATOM 0 HG1 THR A 11 -17.556 -2.689 4.906 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.778 -3.061 7.163 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.441 -2.025 7.717 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.062 -1.332 7.476 1.00 0.00 H new ATOM 187 N LEU A 12 -12.972 -0.652 5.641 1.00 0.00 N ATOM 188 CA LEU A 12 -11.630 -0.635 6.297 1.00 0.00 C ATOM 189 C LEU A 12 -10.816 0.567 5.807 1.00 0.00 C ATOM 190 O LEU A 12 -11.037 1.075 4.724 1.00 0.00 O ATOM 191 CB LEU A 12 -10.965 -1.943 5.869 1.00 0.00 C ATOM 192 CG LEU A 12 -11.728 -3.125 6.471 1.00 0.00 C ATOM 193 CD1 LEU A 12 -11.701 -4.302 5.494 1.00 0.00 C ATOM 194 CD2 LEU A 12 -11.068 -3.542 7.787 1.00 0.00 C ATOM 0 H LEU A 12 -12.972 -0.954 4.667 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.701 -0.549 7.381 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.955 -2.019 4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.927 -1.960 6.200 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.761 -2.831 6.658 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.245 -5.144 5.923 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.171 -4.007 4.556 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.668 -4.595 5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.611 -4.384 8.216 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.035 -3.835 7.599 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.087 -2.705 8.485 1.00 0.00 H new ATOM 206 N LYS A 13 -9.879 1.022 6.600 1.00 0.00 N ATOM 207 CA LYS A 13 -9.046 2.192 6.188 1.00 0.00 C ATOM 208 C LYS A 13 -7.822 2.320 7.101 1.00 0.00 C ATOM 209 O LYS A 13 -7.636 1.540 8.016 1.00 0.00 O ATOM 210 CB LYS A 13 -9.964 3.406 6.346 1.00 0.00 C ATOM 211 CG LYS A 13 -9.765 4.359 5.165 1.00 0.00 C ATOM 212 CD LYS A 13 -10.807 5.477 5.229 1.00 0.00 C ATOM 213 CE LYS A 13 -10.472 6.424 6.384 1.00 0.00 C ATOM 214 NZ LYS A 13 -9.686 7.525 5.762 1.00 0.00 N ATOM 0 H LYS A 13 -9.655 0.633 7.516 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.671 2.094 5.169 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.004 3.084 6.395 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.745 3.920 7.282 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.761 4.782 5.191 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.858 3.815 4.225 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.824 6.027 4.288 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.802 5.054 5.369 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.377 6.804 6.858 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.896 5.916 7.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.419 8.216 6.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.827 7.134 5.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.262 7.995 5.035 1.00 0.00 H new ATOM 228 N GLY A 14 -6.989 3.301 6.856 1.00 0.00 N ATOM 229 CA GLY A 14 -5.775 3.491 7.703 1.00 0.00 C ATOM 230 C GLY A 14 -4.538 3.606 6.809 1.00 0.00 C ATOM 231 O GLY A 14 -4.638 3.619 5.597 1.00 0.00 O ATOM 0 H GLY A 14 -7.100 3.980 6.103 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.881 4.389 8.312 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.663 2.652 8.390 1.00 0.00 H new ATOM 235 N GLU A 15 -3.374 3.689 7.401 1.00 0.00 N ATOM 236 CA GLU A 15 -2.120 3.803 6.595 1.00 0.00 C ATOM 237 C GLU A 15 -1.138 2.692 6.984 1.00 0.00 C ATOM 238 O GLU A 15 -1.324 2.014 7.977 1.00 0.00 O ATOM 239 CB GLU A 15 -1.545 5.183 6.937 1.00 0.00 C ATOM 240 CG GLU A 15 -1.281 5.284 8.444 1.00 0.00 C ATOM 241 CD GLU A 15 -0.559 6.598 8.750 1.00 0.00 C ATOM 242 OE1 GLU A 15 0.650 6.637 8.592 1.00 0.00 O ATOM 243 OE2 GLU A 15 -1.228 7.541 9.138 1.00 0.00 O ATOM 0 H GLU A 15 -3.237 3.683 8.412 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.306 3.699 5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.619 5.347 6.386 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.242 5.963 6.629 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.222 5.238 8.992 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.677 4.439 8.775 1.00 0.00 H new ATOM 250 N THR A 16 -0.098 2.503 6.210 1.00 0.00 N ATOM 251 CA THR A 16 0.895 1.433 6.538 1.00 0.00 C ATOM 252 C THR A 16 2.203 1.650 5.772 1.00 0.00 C ATOM 253 O THR A 16 2.206 2.147 4.663 1.00 0.00 O ATOM 254 CB THR A 16 0.230 0.120 6.107 1.00 0.00 C ATOM 255 OG1 THR A 16 1.117 -0.961 6.363 1.00 0.00 O ATOM 256 CG2 THR A 16 -0.104 0.162 4.611 1.00 0.00 C ATOM 0 H THR A 16 0.106 3.041 5.368 1.00 0.00 H new ATOM 0 HA THR A 16 1.152 1.432 7.597 1.00 0.00 H new ATOM 0 HB THR A 16 -0.692 -0.015 6.672 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.695 -1.802 6.090 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.576 -0.776 4.317 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.786 0.989 4.414 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.812 0.303 4.037 1.00 0.00 H new ATOM 264 N THR A 17 3.311 1.270 6.356 1.00 0.00 N ATOM 265 CA THR A 17 4.626 1.439 5.667 1.00 0.00 C ATOM 266 C THR A 17 5.454 0.162 5.799 1.00 0.00 C ATOM 267 O THR A 17 5.240 -0.634 6.695 1.00 0.00 O ATOM 268 CB THR A 17 5.325 2.587 6.394 1.00 0.00 C ATOM 269 OG1 THR A 17 5.403 2.290 7.781 1.00 0.00 O ATOM 270 CG2 THR A 17 4.542 3.883 6.192 1.00 0.00 C ATOM 0 H THR A 17 3.361 0.849 7.283 1.00 0.00 H new ATOM 0 HA THR A 17 4.502 1.644 4.604 1.00 0.00 H new ATOM 0 HB THR A 17 6.330 2.710 5.990 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.853 3.025 8.248 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.046 4.697 6.713 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.486 4.112 5.128 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.534 3.765 6.591 1.00 0.00 H new ATOM 278 N THR A 18 6.400 -0.035 4.919 1.00 0.00 N ATOM 279 CA THR A 18 7.248 -1.251 4.990 1.00 0.00 C ATOM 280 C THR A 18 8.707 -0.871 4.666 1.00 0.00 C ATOM 281 O THR A 18 8.982 0.205 4.170 1.00 0.00 O ATOM 282 CB THR A 18 6.610 -2.223 3.958 1.00 0.00 C ATOM 283 OG1 THR A 18 5.968 -3.276 4.661 1.00 0.00 O ATOM 284 CG2 THR A 18 7.655 -2.827 3.015 1.00 0.00 C ATOM 0 H THR A 18 6.619 0.600 4.152 1.00 0.00 H new ATOM 0 HA THR A 18 7.286 -1.721 5.973 1.00 0.00 H new ATOM 0 HB THR A 18 5.900 -1.657 3.355 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.985 -4.091 4.117 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.165 -3.500 2.311 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.154 -2.029 2.466 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.391 -3.383 3.596 1.00 0.00 H new ATOM 292 N GLU A 19 9.628 -1.760 4.934 1.00 0.00 N ATOM 293 CA GLU A 19 11.062 -1.477 4.636 1.00 0.00 C ATOM 294 C GLU A 19 11.600 -2.531 3.667 1.00 0.00 C ATOM 295 O GLU A 19 11.620 -3.709 3.972 1.00 0.00 O ATOM 296 CB GLU A 19 11.778 -1.567 5.984 1.00 0.00 C ATOM 297 CG GLU A 19 13.258 -1.226 5.799 1.00 0.00 C ATOM 298 CD GLU A 19 13.769 -0.474 7.030 1.00 0.00 C ATOM 299 OE1 GLU A 19 13.793 -1.069 8.095 1.00 0.00 O ATOM 300 OE2 GLU A 19 14.128 0.683 6.887 1.00 0.00 O ATOM 0 H GLU A 19 9.447 -2.674 5.349 1.00 0.00 H new ATOM 0 HA GLU A 19 11.209 -0.502 4.171 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.322 -0.880 6.697 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.674 -2.570 6.397 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.836 -2.138 5.652 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.392 -0.616 4.906 1.00 0.00 H new ATOM 307 N ALA A 20 12.025 -2.119 2.500 1.00 0.00 N ATOM 308 CA ALA A 20 12.550 -3.100 1.504 1.00 0.00 C ATOM 309 C ALA A 20 13.526 -2.421 0.540 1.00 0.00 C ATOM 310 O ALA A 20 13.911 -1.282 0.729 1.00 0.00 O ATOM 311 CB ALA A 20 11.312 -3.589 0.752 1.00 0.00 C ATOM 0 H ALA A 20 12.031 -1.146 2.194 1.00 0.00 H new ATOM 0 HA ALA A 20 13.097 -3.915 1.979 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.609 -4.317 -0.003 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.621 -4.055 1.454 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.823 -2.744 0.268 1.00 0.00 H new ATOM 317 N VAL A 21 13.923 -3.118 -0.494 1.00 0.00 N ATOM 318 CA VAL A 21 14.875 -2.529 -1.485 1.00 0.00 C ATOM 319 C VAL A 21 14.165 -1.474 -2.332 1.00 0.00 C ATOM 320 O VAL A 21 14.725 -0.456 -2.687 1.00 0.00 O ATOM 321 CB VAL A 21 15.325 -3.711 -2.365 1.00 0.00 C ATOM 322 CG1 VAL A 21 14.154 -4.264 -3.193 1.00 0.00 C ATOM 323 CG2 VAL A 21 16.442 -3.250 -3.305 1.00 0.00 C ATOM 0 H VAL A 21 13.628 -4.073 -0.696 1.00 0.00 H new ATOM 0 HA VAL A 21 15.720 -2.038 -1.002 1.00 0.00 H new ATOM 0 HB VAL A 21 15.689 -4.505 -1.713 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.502 -5.097 -3.804 1.00 0.00 H new ATOM 0 HG12 VAL A 21 13.366 -4.609 -2.524 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.763 -3.479 -3.839 1.00 0.00 H new ATOM 0 HG21 VAL A 21 16.761 -4.085 -3.928 1.00 0.00 H new ATOM 0 HG22 VAL A 21 16.074 -2.444 -3.940 1.00 0.00 H new ATOM 0 HG23 VAL A 21 17.287 -2.892 -2.717 1.00 0.00 H new ATOM 333 N ASP A 22 12.939 -1.745 -2.673 1.00 0.00 N ATOM 334 CA ASP A 22 12.154 -0.815 -3.523 1.00 0.00 C ATOM 335 C ASP A 22 10.662 -0.958 -3.213 1.00 0.00 C ATOM 336 O ASP A 22 10.222 -1.975 -2.710 1.00 0.00 O ATOM 337 CB ASP A 22 12.458 -1.277 -4.949 1.00 0.00 C ATOM 338 CG ASP A 22 13.941 -1.072 -5.265 1.00 0.00 C ATOM 339 OD1 ASP A 22 14.413 0.042 -5.102 1.00 0.00 O ATOM 340 OD2 ASP A 22 14.578 -2.029 -5.670 1.00 0.00 O ATOM 0 H ASP A 22 12.439 -2.589 -2.392 1.00 0.00 H new ATOM 0 HA ASP A 22 12.407 0.233 -3.362 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.197 -2.329 -5.062 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.847 -0.719 -5.658 1.00 0.00 H new ATOM 345 N ALA A 23 9.883 0.051 -3.509 1.00 0.00 N ATOM 346 CA ALA A 23 8.415 -0.027 -3.231 1.00 0.00 C ATOM 347 C ALA A 23 7.791 -1.182 -4.017 1.00 0.00 C ATOM 348 O ALA A 23 6.797 -1.753 -3.608 1.00 0.00 O ATOM 349 CB ALA A 23 7.840 1.314 -3.692 1.00 0.00 C ATOM 0 H ALA A 23 10.198 0.925 -3.931 1.00 0.00 H new ATOM 0 HA ALA A 23 8.207 -0.210 -2.177 1.00 0.00 H new ATOM 0 HB1 ALA A 23 6.764 1.328 -3.518 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.309 2.123 -3.132 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.037 1.448 -4.756 1.00 0.00 H new ATOM 355 N ALA A 24 8.374 -1.538 -5.137 1.00 0.00 N ATOM 356 CA ALA A 24 7.821 -2.669 -5.945 1.00 0.00 C ATOM 357 C ALA A 24 7.838 -3.950 -5.108 1.00 0.00 C ATOM 358 O ALA A 24 6.867 -4.680 -5.051 1.00 0.00 O ATOM 359 CB ALA A 24 8.754 -2.801 -7.151 1.00 0.00 C ATOM 0 H ALA A 24 9.207 -1.095 -5.525 1.00 0.00 H new ATOM 0 HA ALA A 24 6.791 -2.495 -6.256 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.409 -3.614 -7.790 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.752 -1.869 -7.716 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.766 -3.014 -6.807 1.00 0.00 H new ATOM 365 N THR A 25 8.936 -4.213 -4.446 1.00 0.00 N ATOM 366 CA THR A 25 9.029 -5.435 -3.592 1.00 0.00 C ATOM 367 C THR A 25 8.107 -5.282 -2.376 1.00 0.00 C ATOM 368 O THR A 25 7.325 -6.166 -2.062 1.00 0.00 O ATOM 369 CB THR A 25 10.507 -5.516 -3.164 1.00 0.00 C ATOM 370 OG1 THR A 25 11.300 -5.862 -4.291 1.00 0.00 O ATOM 371 CG2 THR A 25 10.694 -6.575 -2.068 1.00 0.00 C ATOM 0 H THR A 25 9.774 -3.632 -4.460 1.00 0.00 H new ATOM 0 HA THR A 25 8.720 -6.340 -4.114 1.00 0.00 H new ATOM 0 HB THR A 25 10.814 -4.547 -2.771 1.00 0.00 H new ATOM 0 HG1 THR A 25 12.212 -6.069 -3.998 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.744 -6.618 -1.779 1.00 0.00 H new ATOM 0 HG22 THR A 25 10.089 -6.312 -1.200 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.382 -7.549 -2.446 1.00 0.00 H new ATOM 379 N ALA A 26 8.195 -4.169 -1.688 1.00 0.00 N ATOM 380 CA ALA A 26 7.330 -3.967 -0.490 1.00 0.00 C ATOM 381 C ALA A 26 5.858 -4.040 -0.890 1.00 0.00 C ATOM 382 O ALA A 26 5.107 -4.830 -0.362 1.00 0.00 O ATOM 383 CB ALA A 26 7.664 -2.568 0.038 1.00 0.00 C ATOM 0 H ALA A 26 8.826 -3.397 -1.905 1.00 0.00 H new ATOM 0 HA ALA A 26 7.504 -4.733 0.266 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.060 -2.358 0.921 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.721 -2.521 0.302 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.450 -1.828 -0.733 1.00 0.00 H new ATOM 389 N GLU A 27 5.450 -3.212 -1.823 1.00 0.00 N ATOM 390 CA GLU A 27 4.018 -3.193 -2.280 1.00 0.00 C ATOM 391 C GLU A 27 3.445 -4.610 -2.447 1.00 0.00 C ATOM 392 O GLU A 27 2.286 -4.848 -2.162 1.00 0.00 O ATOM 393 CB GLU A 27 4.041 -2.461 -3.623 1.00 0.00 C ATOM 394 CG GLU A 27 2.612 -2.282 -4.139 1.00 0.00 C ATOM 395 CD GLU A 27 2.640 -2.040 -5.649 1.00 0.00 C ATOM 396 OE1 GLU A 27 3.483 -2.628 -6.308 1.00 0.00 O ATOM 397 OE2 GLU A 27 1.819 -1.271 -6.121 1.00 0.00 O ATOM 0 H GLU A 27 6.054 -2.539 -2.295 1.00 0.00 H new ATOM 0 HA GLU A 27 3.378 -2.703 -1.546 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.521 -1.489 -3.510 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.630 -3.026 -4.345 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.019 -3.168 -3.913 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.135 -1.442 -3.634 1.00 0.00 H new ATOM 404 N LYS A 28 4.251 -5.555 -2.873 1.00 0.00 N ATOM 405 CA LYS A 28 3.743 -6.956 -3.013 1.00 0.00 C ATOM 406 C LYS A 28 3.353 -7.465 -1.626 1.00 0.00 C ATOM 407 O LYS A 28 2.296 -8.034 -1.433 1.00 0.00 O ATOM 408 CB LYS A 28 4.912 -7.768 -3.576 1.00 0.00 C ATOM 409 CG LYS A 28 5.313 -7.217 -4.944 1.00 0.00 C ATOM 410 CD LYS A 28 6.783 -7.549 -5.213 1.00 0.00 C ATOM 411 CE LYS A 28 6.876 -8.867 -5.984 1.00 0.00 C ATOM 412 NZ LYS A 28 8.110 -9.526 -5.472 1.00 0.00 N ATOM 0 H LYS A 28 5.229 -5.418 -3.127 1.00 0.00 H new ATOM 0 HA LYS A 28 2.872 -7.030 -3.664 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.760 -7.723 -2.893 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.629 -8.817 -3.665 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.683 -7.649 -5.722 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.161 -6.138 -4.973 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.249 -6.747 -5.785 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.327 -7.627 -4.272 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.997 -9.488 -5.812 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.938 -8.693 -7.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.242 -10.438 -5.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.931 -8.915 -5.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.019 -9.686 -4.448 1.00 0.00 H new ATOM 426 N VAL A 29 4.195 -7.221 -0.654 1.00 0.00 N ATOM 427 CA VAL A 29 3.877 -7.642 0.743 1.00 0.00 C ATOM 428 C VAL A 29 2.688 -6.813 1.238 1.00 0.00 C ATOM 429 O VAL A 29 1.843 -7.299 1.965 1.00 0.00 O ATOM 430 CB VAL A 29 5.156 -7.338 1.551 1.00 0.00 C ATOM 431 CG1 VAL A 29 4.861 -7.298 3.060 1.00 0.00 C ATOM 432 CG2 VAL A 29 6.195 -8.427 1.272 1.00 0.00 C ATOM 0 H VAL A 29 5.091 -6.747 -0.769 1.00 0.00 H new ATOM 0 HA VAL A 29 3.603 -8.693 0.834 1.00 0.00 H new ATOM 0 HB VAL A 29 5.534 -6.362 1.247 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.780 -7.082 3.605 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.125 -6.521 3.266 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.468 -8.263 3.380 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.102 -8.219 1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.795 -9.396 1.570 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.429 -8.443 0.208 1.00 0.00 H new ATOM 442 N LEU A 30 2.626 -5.562 0.858 1.00 0.00 N ATOM 443 CA LEU A 30 1.495 -4.709 1.315 1.00 0.00 C ATOM 444 C LEU A 30 0.203 -5.251 0.708 1.00 0.00 C ATOM 445 O LEU A 30 -0.844 -5.212 1.318 1.00 0.00 O ATOM 446 CB LEU A 30 1.818 -3.293 0.806 1.00 0.00 C ATOM 447 CG LEU A 30 2.893 -2.575 1.675 1.00 0.00 C ATOM 448 CD1 LEU A 30 2.239 -1.857 2.850 1.00 0.00 C ATOM 449 CD2 LEU A 30 3.949 -3.536 2.235 1.00 0.00 C ATOM 0 H LEU A 30 3.306 -5.100 0.255 1.00 0.00 H new ATOM 0 HA LEU A 30 1.366 -4.701 2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.169 -3.353 -0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.905 -2.697 0.798 1.00 0.00 H new ATOM 0 HG LEU A 30 3.388 -1.866 1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.005 -1.361 3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.534 -1.115 2.476 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.710 -2.581 3.470 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.670 -2.977 2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.464 -4.285 2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.465 -4.030 1.411 1.00 0.00 H new ATOM 461 N LYS A 31 0.289 -5.806 -0.477 1.00 0.00 N ATOM 462 CA LYS A 31 -0.920 -6.411 -1.114 1.00 0.00 C ATOM 463 C LYS A 31 -1.381 -7.571 -0.244 1.00 0.00 C ATOM 464 O LYS A 31 -2.551 -7.733 0.045 1.00 0.00 O ATOM 465 CB LYS A 31 -0.442 -6.947 -2.464 1.00 0.00 C ATOM 466 CG LYS A 31 -1.618 -7.004 -3.447 1.00 0.00 C ATOM 467 CD LYS A 31 -2.517 -8.207 -3.123 1.00 0.00 C ATOM 468 CE LYS A 31 -1.699 -9.504 -3.183 1.00 0.00 C ATOM 469 NZ LYS A 31 -2.447 -10.401 -4.109 1.00 0.00 N ATOM 0 H LYS A 31 1.144 -5.866 -1.029 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.740 -5.702 -1.229 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.345 -6.307 -2.862 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.012 -7.941 -2.339 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.196 -6.082 -3.389 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.245 -7.083 -4.468 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.954 -8.088 -2.132 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.344 -8.255 -3.832 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.690 -9.315 -3.549 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.601 -9.953 -2.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.944 -11.307 -4.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.402 -10.570 -3.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.518 -9.953 -5.045 1.00 0.00 H new ATOM 483 N GLN A 32 -0.442 -8.372 0.193 1.00 0.00 N ATOM 484 CA GLN A 32 -0.779 -9.529 1.075 1.00 0.00 C ATOM 485 C GLN A 32 -1.545 -9.025 2.303 1.00 0.00 C ATOM 486 O GLN A 32 -2.508 -9.626 2.740 1.00 0.00 O ATOM 487 CB GLN A 32 0.560 -10.129 1.482 1.00 0.00 C ATOM 488 CG GLN A 32 0.931 -11.256 0.516 1.00 0.00 C ATOM 489 CD GLN A 32 2.412 -11.601 0.677 1.00 0.00 C ATOM 490 OE1 GLN A 32 2.766 -12.460 1.460 1.00 0.00 O ATOM 491 NE2 GLN A 32 3.299 -10.964 -0.038 1.00 0.00 N ATOM 0 H GLN A 32 0.549 -8.273 -0.025 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.408 -10.267 0.578 1.00 0.00 H new ATOM 0 HB2 GLN A 32 1.332 -9.360 1.474 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.504 -10.513 2.501 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.318 -12.135 0.714 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.728 -10.951 -0.510 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.002 -10.243 -0.695 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.289 -11.187 0.061 1.00 0.00 H new ATOM 500 N TYR A 33 -1.138 -7.896 2.834 1.00 0.00 N ATOM 501 CA TYR A 33 -1.857 -7.312 4.006 1.00 0.00 C ATOM 502 C TYR A 33 -3.277 -6.939 3.564 1.00 0.00 C ATOM 503 O TYR A 33 -4.242 -7.157 4.272 1.00 0.00 O ATOM 504 CB TYR A 33 -1.050 -6.063 4.387 1.00 0.00 C ATOM 505 CG TYR A 33 -1.755 -5.324 5.491 1.00 0.00 C ATOM 506 CD1 TYR A 33 -1.641 -5.776 6.803 1.00 0.00 C ATOM 507 CD2 TYR A 33 -2.531 -4.198 5.197 1.00 0.00 C ATOM 508 CE1 TYR A 33 -2.301 -5.106 7.832 1.00 0.00 C ATOM 509 CE2 TYR A 33 -3.192 -3.522 6.226 1.00 0.00 C ATOM 510 CZ TYR A 33 -3.078 -3.976 7.547 1.00 0.00 C ATOM 511 OH TYR A 33 -3.732 -3.312 8.565 1.00 0.00 O ATOM 0 H TYR A 33 -0.338 -7.355 2.505 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.940 -7.995 4.852 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.049 -6.349 4.709 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.933 -5.415 3.519 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.041 -6.646 7.024 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.619 -3.852 4.178 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.213 -5.458 8.849 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.790 -2.651 6.004 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.225 -2.550 8.195 1.00 0.00 H new ATOM 521 N ILE A 34 -3.396 -6.392 2.383 1.00 0.00 N ATOM 522 CA ILE A 34 -4.740 -6.010 1.852 1.00 0.00 C ATOM 523 C ILE A 34 -5.572 -7.278 1.622 1.00 0.00 C ATOM 524 O ILE A 34 -6.786 -7.259 1.700 1.00 0.00 O ATOM 525 CB ILE A 34 -4.450 -5.299 0.523 1.00 0.00 C ATOM 526 CG1 ILE A 34 -3.585 -4.045 0.793 1.00 0.00 C ATOM 527 CG2 ILE A 34 -5.767 -4.927 -0.182 1.00 0.00 C ATOM 528 CD1 ILE A 34 -4.433 -2.883 1.324 1.00 0.00 C ATOM 0 H ILE A 34 -2.615 -6.192 1.758 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.303 -5.372 2.533 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.899 -5.968 -0.138 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.805 -4.288 1.515 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.085 -3.742 -0.127 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.546 -4.423 -1.123 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.342 -5.832 -0.381 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.347 -4.262 0.458 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.794 -2.018 1.503 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.196 -2.624 0.590 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.912 -3.179 2.257 1.00 0.00 H new ATOM 540 N ASN A 35 -4.918 -8.380 1.340 1.00 0.00 N ATOM 541 CA ASN A 35 -5.654 -9.661 1.103 1.00 0.00 C ATOM 542 C ASN A 35 -6.485 -10.033 2.335 1.00 0.00 C ATOM 543 O ASN A 35 -7.529 -10.648 2.227 1.00 0.00 O ATOM 544 CB ASN A 35 -4.566 -10.709 0.856 1.00 0.00 C ATOM 545 CG ASN A 35 -5.203 -11.987 0.308 1.00 0.00 C ATOM 546 OD1 ASN A 35 -5.147 -13.025 0.937 1.00 0.00 O ATOM 547 ND2 ASN A 35 -5.809 -11.956 -0.847 1.00 0.00 N ATOM 0 H ASN A 35 -3.903 -8.447 1.264 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.346 -9.586 0.264 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.830 -10.325 0.149 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.035 -10.923 1.784 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.236 -12.803 -1.222 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.856 -11.085 -1.375 1.00 0.00 H new ATOM 554 N ASP A 36 -6.027 -9.659 3.503 1.00 0.00 N ATOM 555 CA ASP A 36 -6.784 -9.984 4.750 1.00 0.00 C ATOM 556 C ASP A 36 -7.952 -9.010 4.925 1.00 0.00 C ATOM 557 O ASP A 36 -9.059 -9.406 5.240 1.00 0.00 O ATOM 558 CB ASP A 36 -5.773 -9.821 5.886 1.00 0.00 C ATOM 559 CG ASP A 36 -6.218 -10.654 7.089 1.00 0.00 C ATOM 560 OD1 ASP A 36 -5.842 -11.813 7.154 1.00 0.00 O ATOM 561 OD2 ASP A 36 -6.928 -10.120 7.926 1.00 0.00 O ATOM 0 H ASP A 36 -5.160 -9.142 3.647 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.207 -10.988 4.726 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.784 -10.139 5.556 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.692 -8.771 6.167 1.00 0.00 H new ATOM 566 N ASN A 37 -7.710 -7.740 4.721 1.00 0.00 N ATOM 567 CA ASN A 37 -8.803 -6.730 4.871 1.00 0.00 C ATOM 568 C ASN A 37 -9.843 -6.912 3.762 1.00 0.00 C ATOM 569 O ASN A 37 -11.009 -6.615 3.939 1.00 0.00 O ATOM 570 CB ASN A 37 -8.118 -5.368 4.743 1.00 0.00 C ATOM 571 CG ASN A 37 -7.124 -5.185 5.893 1.00 0.00 C ATOM 572 OD1 ASN A 37 -6.379 -6.088 6.217 1.00 0.00 O ATOM 573 ND2 ASN A 37 -7.082 -4.045 6.527 1.00 0.00 N ATOM 0 H ASN A 37 -6.802 -7.358 4.457 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.326 -6.831 5.822 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.600 -5.298 3.786 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.862 -4.572 4.762 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.424 -3.912 7.295 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.708 -3.287 6.255 1.00 0.00 H new ATOM 580 N GLY A 38 -9.424 -7.398 2.621 1.00 0.00 N ATOM 581 CA GLY A 38 -10.379 -7.604 1.493 1.00 0.00 C ATOM 582 C GLY A 38 -10.614 -6.275 0.773 1.00 0.00 C ATOM 583 O GLY A 38 -11.691 -6.016 0.271 1.00 0.00 O ATOM 0 H GLY A 38 -8.459 -7.661 2.423 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.981 -8.342 0.796 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.323 -7.998 1.869 1.00 0.00 H new ATOM 587 N ILE A 39 -9.613 -5.433 0.722 1.00 0.00 N ATOM 588 CA ILE A 39 -9.772 -4.115 0.035 1.00 0.00 C ATOM 589 C ILE A 39 -8.809 -4.022 -1.154 1.00 0.00 C ATOM 590 O ILE A 39 -7.807 -3.335 -1.099 1.00 0.00 O ATOM 591 CB ILE A 39 -9.427 -3.061 1.096 1.00 0.00 C ATOM 592 CG1 ILE A 39 -10.359 -3.210 2.312 1.00 0.00 C ATOM 593 CG2 ILE A 39 -9.584 -1.658 0.501 1.00 0.00 C ATOM 594 CD1 ILE A 39 -11.825 -3.042 1.887 1.00 0.00 C ATOM 0 H ILE A 39 -8.692 -5.601 1.127 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.779 -3.974 -0.359 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.395 -3.207 1.416 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.216 -4.189 2.770 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.105 -2.465 3.066 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.338 -0.912 1.257 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.912 -1.547 -0.350 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.613 -1.515 0.172 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.471 -3.150 2.758 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.966 -2.053 1.451 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.080 -3.803 1.150 1.00 0.00 H new ATOM 606 N ASP A 40 -9.111 -4.709 -2.226 1.00 0.00 N ATOM 607 CA ASP A 40 -8.223 -4.666 -3.426 1.00 0.00 C ATOM 608 C ASP A 40 -8.989 -4.099 -4.624 1.00 0.00 C ATOM 609 O ASP A 40 -9.826 -4.764 -5.205 1.00 0.00 O ATOM 610 CB ASP A 40 -7.830 -6.122 -3.680 1.00 0.00 C ATOM 611 CG ASP A 40 -6.473 -6.169 -4.384 1.00 0.00 C ATOM 612 OD1 ASP A 40 -5.482 -5.866 -3.739 1.00 0.00 O ATOM 613 OD2 ASP A 40 -6.447 -6.506 -5.556 1.00 0.00 O ATOM 0 H ASP A 40 -9.937 -5.300 -2.322 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.350 -4.030 -3.275 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -7.781 -6.666 -2.737 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -8.587 -6.612 -4.293 1.00 0.00 H new ATOM 618 N GLY A 41 -8.710 -2.874 -4.992 1.00 0.00 N ATOM 619 CA GLY A 41 -9.423 -2.256 -6.149 1.00 0.00 C ATOM 620 C GLY A 41 -8.426 -1.499 -7.029 1.00 0.00 C ATOM 621 O GLY A 41 -7.911 -2.032 -7.994 1.00 0.00 O ATOM 0 H GLY A 41 -8.019 -2.275 -4.540 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.924 -3.028 -6.733 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.195 -1.575 -5.790 1.00 0.00 H new ATOM 625 N GLU A 42 -8.159 -0.257 -6.708 1.00 0.00 N ATOM 626 CA GLU A 42 -7.201 0.543 -7.530 1.00 0.00 C ATOM 627 C GLU A 42 -6.153 1.213 -6.637 1.00 0.00 C ATOM 628 O GLU A 42 -6.479 1.991 -5.761 1.00 0.00 O ATOM 629 CB GLU A 42 -8.064 1.604 -8.229 1.00 0.00 C ATOM 630 CG GLU A 42 -8.118 1.326 -9.737 1.00 0.00 C ATOM 631 CD GLU A 42 -9.449 0.658 -10.092 1.00 0.00 C ATOM 632 OE1 GLU A 42 -9.561 -0.539 -9.888 1.00 0.00 O ATOM 633 OE2 GLU A 42 -10.332 1.356 -10.561 1.00 0.00 O ATOM 0 H GLU A 42 -8.563 0.237 -5.912 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.657 -0.079 -8.241 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.072 1.597 -7.813 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.652 2.597 -8.048 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.008 2.258 -10.292 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.288 0.682 -10.028 1.00 0.00 H new ATOM 640 N TRP A 43 -4.896 0.923 -6.866 1.00 0.00 N ATOM 641 CA TRP A 43 -3.819 1.549 -6.045 1.00 0.00 C ATOM 642 C TRP A 43 -3.220 2.733 -6.806 1.00 0.00 C ATOM 643 O TRP A 43 -3.384 2.854 -8.005 1.00 0.00 O ATOM 644 CB TRP A 43 -2.741 0.475 -5.871 1.00 0.00 C ATOM 645 CG TRP A 43 -3.189 -0.630 -4.963 1.00 0.00 C ATOM 646 CD1 TRP A 43 -4.456 -1.090 -4.808 1.00 0.00 C ATOM 647 CD2 TRP A 43 -2.360 -1.430 -4.083 1.00 0.00 C ATOM 648 NE1 TRP A 43 -4.440 -2.138 -3.908 1.00 0.00 N ATOM 649 CE2 TRP A 43 -3.173 -2.376 -3.425 1.00 0.00 C ATOM 650 CE3 TRP A 43 -0.988 -1.421 -3.800 1.00 0.00 C ATOM 651 CZ2 TRP A 43 -2.643 -3.286 -2.515 1.00 0.00 C ATOM 652 CZ3 TRP A 43 -0.448 -2.333 -2.881 1.00 0.00 C ATOM 653 CH2 TRP A 43 -1.273 -3.263 -2.240 1.00 0.00 C ATOM 0 H TRP A 43 -4.571 0.279 -7.587 1.00 0.00 H new ATOM 0 HA TRP A 43 -4.202 1.904 -5.088 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.482 0.061 -6.845 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.837 0.931 -5.468 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.332 -0.701 -5.306 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.266 -2.670 -3.635 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.343 -0.708 -4.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.285 -4.004 -2.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.611 -2.317 -2.667 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.852 -3.963 -1.533 1.00 0.00 H new ATOM 664 N THR A 44 -2.504 3.585 -6.123 1.00 0.00 N ATOM 665 CA THR A 44 -1.859 4.745 -6.806 1.00 0.00 C ATOM 666 C THR A 44 -0.560 5.096 -6.086 1.00 0.00 C ATOM 667 O THR A 44 -0.526 5.233 -4.878 1.00 0.00 O ATOM 668 CB THR A 44 -2.854 5.905 -6.720 1.00 0.00 C ATOM 669 OG1 THR A 44 -3.077 6.241 -5.360 1.00 0.00 O ATOM 670 CG2 THR A 44 -4.178 5.507 -7.378 1.00 0.00 C ATOM 0 H THR A 44 -2.337 3.528 -5.118 1.00 0.00 H new ATOM 0 HA THR A 44 -1.616 4.523 -7.845 1.00 0.00 H new ATOM 0 HB THR A 44 -2.443 6.769 -7.243 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.713 6.985 -5.307 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.881 6.338 -7.313 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.004 5.260 -8.425 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.593 4.639 -6.865 1.00 0.00 H new ATOM 678 N TYR A 45 0.508 5.234 -6.822 1.00 0.00 N ATOM 679 CA TYR A 45 1.819 5.566 -6.193 1.00 0.00 C ATOM 680 C TYR A 45 2.035 7.086 -6.205 1.00 0.00 C ATOM 681 O TYR A 45 1.403 7.801 -6.960 1.00 0.00 O ATOM 682 CB TYR A 45 2.863 4.864 -7.068 1.00 0.00 C ATOM 683 CG TYR A 45 4.249 5.134 -6.532 1.00 0.00 C ATOM 684 CD1 TYR A 45 4.567 4.801 -5.210 1.00 0.00 C ATOM 685 CD2 TYR A 45 5.215 5.721 -7.357 1.00 0.00 C ATOM 686 CE1 TYR A 45 5.851 5.054 -4.714 1.00 0.00 C ATOM 687 CE2 TYR A 45 6.499 5.975 -6.862 1.00 0.00 C ATOM 688 CZ TYR A 45 6.818 5.641 -5.540 1.00 0.00 C ATOM 689 OH TYR A 45 8.084 5.891 -5.051 1.00 0.00 O ATOM 0 H TYR A 45 0.530 5.131 -7.837 1.00 0.00 H new ATOM 0 HA TYR A 45 1.878 5.245 -5.153 1.00 0.00 H new ATOM 0 HB2 TYR A 45 2.673 3.791 -7.085 1.00 0.00 H new ATOM 0 HB3 TYR A 45 2.786 5.218 -8.096 1.00 0.00 H new ATOM 0 HD1 TYR A 45 3.821 4.349 -4.573 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.969 5.978 -8.377 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.096 4.797 -3.694 1.00 0.00 H new ATOM 0 HE2 TYR A 45 7.244 6.428 -7.499 1.00 0.00 H new ATOM 0 HH TYR A 45 8.631 6.300 -5.754 1.00 0.00 H new ATOM 699 N ASP A 46 2.928 7.579 -5.384 1.00 0.00 N ATOM 700 CA ASP A 46 3.194 9.051 -5.355 1.00 0.00 C ATOM 701 C ASP A 46 4.697 9.309 -5.230 1.00 0.00 C ATOM 702 O ASP A 46 5.346 8.810 -4.330 1.00 0.00 O ATOM 703 CB ASP A 46 2.461 9.593 -4.121 1.00 0.00 C ATOM 704 CG ASP A 46 0.980 9.202 -4.173 1.00 0.00 C ATOM 705 OD1 ASP A 46 0.240 9.856 -4.888 1.00 0.00 O ATOM 706 OD2 ASP A 46 0.613 8.255 -3.496 1.00 0.00 O ATOM 0 H ASP A 46 3.485 7.026 -4.732 1.00 0.00 H new ATOM 0 HA ASP A 46 2.850 9.538 -6.268 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.918 9.197 -3.214 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.557 10.678 -4.079 1.00 0.00 H new ATOM 711 N ASP A 47 5.249 10.092 -6.122 1.00 0.00 N ATOM 712 CA ASP A 47 6.713 10.396 -6.056 1.00 0.00 C ATOM 713 C ASP A 47 7.023 11.326 -4.870 1.00 0.00 C ATOM 714 O ASP A 47 8.173 11.565 -4.553 1.00 0.00 O ATOM 715 CB ASP A 47 7.038 11.088 -7.382 1.00 0.00 C ATOM 716 CG ASP A 47 8.536 11.393 -7.450 1.00 0.00 C ATOM 717 OD1 ASP A 47 8.956 12.344 -6.812 1.00 0.00 O ATOM 718 OD2 ASP A 47 9.238 10.669 -8.137 1.00 0.00 O ATOM 0 H ASP A 47 4.750 10.535 -6.894 1.00 0.00 H new ATOM 0 HA ASP A 47 7.309 9.495 -5.909 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.749 10.450 -8.217 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.465 12.011 -7.472 1.00 0.00 H new ATOM 723 N ALA A 48 6.012 11.851 -4.213 1.00 0.00 N ATOM 724 CA ALA A 48 6.252 12.764 -3.047 1.00 0.00 C ATOM 725 C ALA A 48 7.149 12.084 -2.006 1.00 0.00 C ATOM 726 O ALA A 48 8.290 12.459 -1.813 1.00 0.00 O ATOM 727 CB ALA A 48 4.863 13.024 -2.458 1.00 0.00 C ATOM 0 H ALA A 48 5.030 11.686 -4.435 1.00 0.00 H new ATOM 0 HA ALA A 48 6.755 13.684 -3.346 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.951 13.686 -1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.230 13.491 -3.212 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.418 12.080 -2.145 1.00 0.00 H new ATOM 733 N THR A 49 6.633 11.085 -1.341 1.00 0.00 N ATOM 734 CA THR A 49 7.435 10.362 -0.309 1.00 0.00 C ATOM 735 C THR A 49 7.268 8.851 -0.494 1.00 0.00 C ATOM 736 O THR A 49 7.222 8.097 0.458 1.00 0.00 O ATOM 737 CB THR A 49 6.857 10.811 1.039 1.00 0.00 C ATOM 738 OG1 THR A 49 7.540 10.142 2.089 1.00 0.00 O ATOM 739 CG2 THR A 49 5.361 10.478 1.108 1.00 0.00 C ATOM 0 H THR A 49 5.683 10.736 -1.469 1.00 0.00 H new ATOM 0 HA THR A 49 8.501 10.581 -0.379 1.00 0.00 H new ATOM 0 HB THR A 49 6.986 11.888 1.143 1.00 0.00 H new ATOM 0 HG1 THR A 49 7.665 9.200 1.850 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.960 10.801 2.069 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.836 10.994 0.304 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.222 9.402 1.000 1.00 0.00 H new ATOM 747 N LYS A 50 7.169 8.412 -1.723 1.00 0.00 N ATOM 748 CA LYS A 50 6.996 6.953 -2.014 1.00 0.00 C ATOM 749 C LYS A 50 5.774 6.389 -1.280 1.00 0.00 C ATOM 750 O LYS A 50 5.843 5.344 -0.661 1.00 0.00 O ATOM 751 CB LYS A 50 8.279 6.270 -1.529 1.00 0.00 C ATOM 752 CG LYS A 50 9.484 6.851 -2.272 1.00 0.00 C ATOM 753 CD LYS A 50 10.756 6.105 -1.853 1.00 0.00 C ATOM 754 CE LYS A 50 11.658 5.892 -3.073 1.00 0.00 C ATOM 755 NZ LYS A 50 12.719 6.930 -2.953 1.00 0.00 N ATOM 0 H LYS A 50 7.201 9.009 -2.549 1.00 0.00 H new ATOM 0 HA LYS A 50 6.829 6.781 -3.077 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.397 6.416 -0.455 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.218 5.195 -1.700 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.337 6.763 -3.348 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.583 7.913 -2.049 1.00 0.00 H new ATOM 0 HD2 LYS A 50 11.288 6.674 -1.091 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.496 5.144 -1.409 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.085 4.889 -3.078 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.099 6.005 -4.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 13.377 6.848 -3.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.283 7.874 -2.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.239 6.794 -2.063 1.00 0.00 H new ATOM 769 N THR A 51 4.655 7.065 -1.361 1.00 0.00 N ATOM 770 CA THR A 51 3.421 6.561 -0.685 1.00 0.00 C ATOM 771 C THR A 51 2.582 5.765 -1.690 1.00 0.00 C ATOM 772 O THR A 51 2.841 5.789 -2.879 1.00 0.00 O ATOM 773 CB THR A 51 2.674 7.816 -0.218 1.00 0.00 C ATOM 774 OG1 THR A 51 3.483 8.525 0.707 1.00 0.00 O ATOM 775 CG2 THR A 51 1.359 7.421 0.460 1.00 0.00 C ATOM 0 H THR A 51 4.543 7.944 -1.866 1.00 0.00 H new ATOM 0 HA THR A 51 3.639 5.898 0.152 1.00 0.00 H new ATOM 0 HB THR A 51 2.457 8.446 -1.081 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.054 7.894 1.193 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.835 8.319 0.789 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.735 6.875 -0.247 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.570 6.788 1.322 1.00 0.00 H new ATOM 783 N TRP A 52 1.587 5.056 -1.222 1.00 0.00 N ATOM 784 CA TRP A 52 0.739 4.249 -2.147 1.00 0.00 C ATOM 785 C TRP A 52 -0.745 4.421 -1.810 1.00 0.00 C ATOM 786 O TRP A 52 -1.119 5.248 -1.001 1.00 0.00 O ATOM 787 CB TRP A 52 1.151 2.805 -1.895 1.00 0.00 C ATOM 788 CG TRP A 52 2.423 2.492 -2.608 1.00 0.00 C ATOM 789 CD1 TRP A 52 3.659 2.529 -2.064 1.00 0.00 C ATOM 790 CD2 TRP A 52 2.593 2.076 -3.983 1.00 0.00 C ATOM 791 NE1 TRP A 52 4.582 2.173 -3.034 1.00 0.00 N ATOM 792 CE2 TRP A 52 3.968 1.883 -4.237 1.00 0.00 C ATOM 793 CE3 TRP A 52 1.684 1.856 -5.022 1.00 0.00 C ATOM 794 CZ2 TRP A 52 4.428 1.483 -5.492 1.00 0.00 C ATOM 795 CZ3 TRP A 52 2.136 1.452 -6.288 1.00 0.00 C ATOM 796 CH2 TRP A 52 3.508 1.267 -6.524 1.00 0.00 C ATOM 0 H TRP A 52 1.326 5.002 -0.238 1.00 0.00 H new ATOM 0 HA TRP A 52 0.873 4.554 -3.185 1.00 0.00 H new ATOM 0 HB2 TRP A 52 1.276 2.638 -0.825 1.00 0.00 H new ATOM 0 HB3 TRP A 52 0.363 2.132 -2.232 1.00 0.00 H new ATOM 0 HD1 TRP A 52 3.889 2.792 -1.042 1.00 0.00 H new ATOM 0 HE1 TRP A 52 5.589 2.130 -2.879 1.00 0.00 H new ATOM 0 HE3 TRP A 52 0.627 1.998 -4.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.485 1.341 -5.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 1.426 1.283 -7.084 1.00 0.00 H new ATOM 0 HH2 TRP A 52 3.852 0.959 -7.500 1.00 0.00 H new ATOM 807 N THR A 53 -1.590 3.628 -2.424 1.00 0.00 N ATOM 808 CA THR A 53 -3.055 3.715 -2.147 1.00 0.00 C ATOM 809 C THR A 53 -3.742 2.398 -2.527 1.00 0.00 C ATOM 810 O THR A 53 -3.135 1.515 -3.103 1.00 0.00 O ATOM 811 CB THR A 53 -3.570 4.861 -3.023 1.00 0.00 C ATOM 812 OG1 THR A 53 -2.688 5.970 -2.924 1.00 0.00 O ATOM 813 CG2 THR A 53 -4.965 5.278 -2.556 1.00 0.00 C ATOM 0 H THR A 53 -1.324 2.921 -3.109 1.00 0.00 H new ATOM 0 HA THR A 53 -3.261 3.892 -1.092 1.00 0.00 H new ATOM 0 HB THR A 53 -3.619 4.527 -4.059 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.583 6.384 -3.806 1.00 0.00 H new ATOM 0 HG21 THR A 53 -5.329 6.094 -3.181 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.644 4.429 -2.635 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.918 5.609 -1.519 1.00 0.00 H new ATOM 821 N VAL A 54 -5.003 2.260 -2.201 1.00 0.00 N ATOM 822 CA VAL A 54 -5.744 0.996 -2.529 1.00 0.00 C ATOM 823 C VAL A 54 -7.242 1.189 -2.244 1.00 0.00 C ATOM 824 O VAL A 54 -7.744 0.797 -1.208 1.00 0.00 O ATOM 825 CB VAL A 54 -5.120 -0.099 -1.626 1.00 0.00 C ATOM 826 CG1 VAL A 54 -5.031 0.387 -0.184 1.00 0.00 C ATOM 827 CG2 VAL A 54 -5.965 -1.379 -1.654 1.00 0.00 C ATOM 0 H VAL A 54 -5.556 2.969 -1.720 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.660 0.718 -3.580 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.123 -0.312 -2.011 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.591 -0.394 0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.408 1.281 -0.139 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.030 0.622 0.183 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.506 -2.132 -1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.970 -1.159 -1.294 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.020 -1.757 -2.675 1.00 0.00 H new ATOM 837 N THR A 55 -7.952 1.791 -3.164 1.00 0.00 N ATOM 838 CA THR A 55 -9.415 2.018 -2.966 1.00 0.00 C ATOM 839 C THR A 55 -10.211 0.793 -3.423 1.00 0.00 C ATOM 840 O THR A 55 -9.945 0.226 -4.466 1.00 0.00 O ATOM 841 CB THR A 55 -9.748 3.228 -3.841 1.00 0.00 C ATOM 842 OG1 THR A 55 -8.727 4.207 -3.700 1.00 0.00 O ATOM 843 CG2 THR A 55 -11.089 3.820 -3.406 1.00 0.00 C ATOM 0 H THR A 55 -7.579 2.137 -4.048 1.00 0.00 H new ATOM 0 HA THR A 55 -9.667 2.186 -1.919 1.00 0.00 H new ATOM 0 HB THR A 55 -9.812 2.917 -4.884 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.938 4.982 -4.261 1.00 0.00 H new ATOM 0 HG21 THR A 55 -11.326 4.682 -4.030 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.871 3.068 -3.514 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.028 4.132 -2.364 1.00 0.00 H new ATOM 851 N GLU A 56 -11.186 0.384 -2.650 1.00 0.00 N ATOM 852 CA GLU A 56 -12.007 -0.806 -3.036 1.00 0.00 C ATOM 853 C GLU A 56 -12.722 -0.546 -4.365 1.00 0.00 C ATOM 854 O GLU A 56 -13.641 0.256 -4.373 1.00 0.00 O ATOM 855 CB GLU A 56 -13.025 -0.979 -1.906 1.00 0.00 C ATOM 856 CG GLU A 56 -13.306 -2.468 -1.696 1.00 0.00 C ATOM 857 CD GLU A 56 -14.230 -2.976 -2.804 1.00 0.00 C ATOM 858 OE1 GLU A 56 -13.773 -3.078 -3.930 1.00 0.00 O ATOM 859 OE2 GLU A 56 -15.381 -3.254 -2.507 1.00 0.00 O ATOM 860 OXT GLU A 56 -12.338 -1.154 -5.350 1.00 0.00 O ATOM 0 H GLU A 56 -11.449 0.823 -1.768 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.396 -1.699 -3.170 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.642 -0.537 -0.986 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.949 -0.455 -2.151 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.372 -3.029 -1.702 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.768 -2.628 -0.722 1.00 0.00 H new TER 867 GLU A 56