USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 683 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 19 LYS NZ :NH3+ 167:sc= 0.194 (180deg=-1.21) USER MOD Set 1.2: A 93 TYR OH : rot -140:sc= 0.964 USER MOD Set 2.1: A 83 ASN : amide:sc= 0 X(o=-0.057,f=-0.057) USER MOD Set 2.2: A 89 THR OG1 : rot -130:sc= -0.057 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.255 X(o=-0.26,f=-0.5) USER MOD Single : A 5 ASN : amide:sc= -0.532 X(o=-0.53,f=-0.79) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0466 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.653 X(o=-0.65,f=-0.43) USER MOD Single : A 35 THR OG1 : rot 112:sc= 1.26 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 152:sc= 0.316 (180deg=-0.131) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.2) USER MOD Single : A 61 ASN : amide:sc= -1.98 K(o=-2,f=-12!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.0159 X(o=-0.016,f=0) USER MOD Single : A 80 GLN : amide:sc= 0.0287 K(o=0.029,f=-1.7) USER MOD Single : A 82 MET CE :methyl 157:sc= -0.348 (180deg=-1.42!) USER MOD Single : A 85 ASN : amide:sc= -0.24 X(o=-0.24,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -112:sc= 0.079 (180deg=0) USER MOD Single : A 91 SER OG : rot 117:sc= -0.72 USER MOD Single : A 92 ASN : amide:sc= -3.91 K(o=-3.9,f=-4.6!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.572 K(o=-0.57,f=-0.0013) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 3.265 -1.439 -1.148 1.00 62.12 N ATOM 9 CA SER A 2 4.472 -2.131 -0.711 1.00 61.22 C ATOM 10 C SER A 2 4.207 -3.623 -0.534 1.00 22.52 C ATOM 11 O SER A 2 3.711 -4.059 0.504 1.00 2.53 O ATOM 12 CB SER A 2 4.981 -1.533 0.600 1.00 13.35 C ATOM 13 OG SER A 2 5.889 -0.472 0.359 1.00 42.22 O ATOM 0 HA SER A 2 5.234 -2.003 -1.480 1.00 61.22 H new ATOM 0 HB2 SER A 2 4.139 -1.168 1.188 1.00 13.35 H new ATOM 0 HB3 SER A 2 5.470 -2.307 1.191 1.00 13.35 H new ATOM 0 HG SER A 2 6.198 -0.106 1.214 1.00 42.22 H new ATOM 19 N ALA A 3 4.544 -4.402 -1.558 1.00 33.41 N ATOM 20 CA ALA A 3 4.346 -5.846 -1.515 1.00 63.41 C ATOM 21 C ALA A 3 2.915 -6.192 -1.117 1.00 71.25 C ATOM 22 O ALA A 3 2.666 -6.654 -0.004 1.00 32.13 O ATOM 23 CB ALA A 3 5.333 -6.487 -0.552 1.00 14.32 C ATOM 0 H ALA A 3 4.955 -4.058 -2.426 1.00 33.41 H new ATOM 0 HA ALA A 3 4.523 -6.241 -2.515 1.00 63.41 H new ATOM 0 HB1 ALA A 3 5.173 -7.565 -0.531 1.00 14.32 H new ATOM 0 HB2 ALA A 3 6.351 -6.278 -0.881 1.00 14.32 H new ATOM 0 HB3 ALA A 3 5.184 -6.078 0.447 1.00 14.32 H new ATOM 29 N GLN A 4 1.979 -5.965 -2.033 1.00 73.22 N ATOM 30 CA GLN A 4 0.573 -6.253 -1.775 1.00 42.42 C ATOM 31 C GLN A 4 0.208 -7.656 -2.250 1.00 12.15 C ATOM 32 O GLN A 4 0.554 -8.055 -3.361 1.00 32.40 O ATOM 33 CB GLN A 4 -0.316 -5.220 -2.471 1.00 3.13 C ATOM 34 CG GLN A 4 -1.294 -4.529 -1.533 1.00 3.35 C ATOM 35 CD GLN A 4 -2.049 -5.506 -0.655 1.00 70.33 C ATOM 36 OE1 GLN A 4 -1.688 -5.729 0.500 1.00 55.22 O ATOM 37 NE2 GLN A 4 -3.107 -6.097 -1.200 1.00 44.25 N ATOM 0 H GLN A 4 2.169 -5.583 -2.960 1.00 73.22 H new ATOM 0 HA GLN A 4 0.409 -6.199 -0.699 1.00 42.42 H new ATOM 0 HB2 GLN A 4 0.316 -4.467 -2.942 1.00 3.13 H new ATOM 0 HB3 GLN A 4 -0.875 -5.711 -3.268 1.00 3.13 H new ATOM 0 HG2 GLN A 4 -0.751 -3.825 -0.903 1.00 3.35 H new ATOM 0 HG3 GLN A 4 -2.006 -3.949 -2.120 1.00 3.35 H new ATOM 0 HE21 GLN A 4 -3.372 -5.883 -2.162 1.00 44.25 H new ATOM 0 HE22 GLN A 4 -3.655 -6.764 -0.657 1.00 44.25 H new ATOM 46 N ASN A 5 -0.491 -8.399 -1.399 1.00 33.42 N ATOM 47 CA ASN A 5 -0.902 -9.758 -1.730 1.00 63.54 C ATOM 48 C ASN A 5 -2.200 -9.755 -2.533 1.00 54.12 C ATOM 49 O ASN A 5 -3.227 -9.261 -2.067 1.00 60.43 O ATOM 50 CB ASN A 5 -1.081 -10.585 -0.455 1.00 31.22 C ATOM 51 CG ASN A 5 -1.902 -9.860 0.593 1.00 21.24 C ATOM 52 OD1 ASN A 5 -1.363 -9.125 1.421 1.00 41.20 O ATOM 53 ND2 ASN A 5 -3.214 -10.066 0.563 1.00 14.53 N ATOM 0 H ASN A 5 -0.785 -8.083 -0.475 1.00 33.42 H new ATOM 0 HA ASN A 5 -0.119 -10.208 -2.340 1.00 63.54 H new ATOM 0 HB2 ASN A 5 -1.565 -11.530 -0.703 1.00 31.22 H new ATOM 0 HB3 ASN A 5 -0.102 -10.828 -0.042 1.00 31.22 H new ATOM 0 HD21 ASN A 5 -3.818 -9.606 1.244 1.00 14.53 H new ATOM 0 HD22 ASN A 5 -3.617 -10.684 -0.141 1.00 14.53 H new ATOM 60 N ILE A 6 -2.144 -10.308 -3.740 1.00 50.12 N ATOM 61 CA ILE A 6 -3.315 -10.368 -4.606 1.00 33.33 C ATOM 62 C ILE A 6 -3.587 -11.798 -5.063 1.00 20.00 C ATOM 63 O ILE A 6 -2.736 -12.436 -5.683 1.00 65.23 O ATOM 64 CB ILE A 6 -3.148 -9.469 -5.844 1.00 0.23 C ATOM 65 CG1 ILE A 6 -2.996 -8.006 -5.422 1.00 70.30 C ATOM 66 CG2 ILE A 6 -4.332 -9.636 -6.785 1.00 53.53 C ATOM 67 CD1 ILE A 6 -4.203 -7.461 -4.690 1.00 12.31 C ATOM 0 H ILE A 6 -1.301 -10.720 -4.140 1.00 50.12 H new ATOM 0 HA ILE A 6 -4.160 -10.009 -4.019 1.00 33.33 H new ATOM 0 HB ILE A 6 -2.244 -9.770 -6.374 1.00 0.23 H new ATOM 0 HG12 ILE A 6 -2.119 -7.910 -4.782 1.00 70.30 H new ATOM 0 HG13 ILE A 6 -2.813 -7.398 -6.308 1.00 70.30 H new ATOM 0 HG21 ILE A 6 -4.198 -8.994 -7.655 1.00 53.53 H new ATOM 0 HG22 ILE A 6 -4.397 -10.675 -7.108 1.00 53.53 H new ATOM 0 HG23 ILE A 6 -5.250 -9.359 -6.267 1.00 53.53 H new ATOM 0 HD11 ILE A 6 -4.026 -6.420 -4.421 1.00 12.31 H new ATOM 0 HD12 ILE A 6 -5.079 -7.525 -5.335 1.00 12.31 H new ATOM 0 HD13 ILE A 6 -4.375 -8.045 -3.786 1.00 12.31 H new ATOM 79 N THR A 7 -4.780 -12.297 -4.753 1.00 55.40 N ATOM 80 CA THR A 7 -5.165 -13.650 -5.131 1.00 43.30 C ATOM 81 C THR A 7 -5.963 -13.652 -6.430 1.00 43.41 C ATOM 82 O THR A 7 -6.833 -12.806 -6.636 1.00 62.01 O ATOM 83 CB THR A 7 -6.000 -14.326 -4.028 1.00 1.14 C ATOM 84 OG1 THR A 7 -6.752 -13.342 -3.310 1.00 2.52 O ATOM 85 CG2 THR A 7 -5.105 -15.092 -3.065 1.00 14.11 C ATOM 0 H THR A 7 -5.496 -11.783 -4.240 1.00 55.40 H new ATOM 0 HA THR A 7 -4.242 -14.212 -5.274 1.00 43.30 H new ATOM 0 HB THR A 7 -6.684 -15.030 -4.501 1.00 1.14 H new ATOM 0 HG1 THR A 7 -7.282 -13.780 -2.612 1.00 2.52 H new ATOM 0 HG21 THR A 7 -5.717 -15.561 -2.295 1.00 14.11 H new ATOM 0 HG22 THR A 7 -4.557 -15.860 -3.611 1.00 14.11 H new ATOM 0 HG23 THR A 7 -4.399 -14.404 -2.599 1.00 14.11 H new ATOM 93 N ALA A 8 -5.662 -14.607 -7.304 1.00 3.33 N ATOM 94 CA ALA A 8 -6.353 -14.719 -8.582 1.00 10.52 C ATOM 95 C ALA A 8 -6.444 -16.174 -9.031 1.00 3.21 C ATOM 96 O ALA A 8 -5.771 -17.046 -8.481 1.00 34.30 O ATOM 97 CB ALA A 8 -5.648 -13.881 -9.639 1.00 70.11 C ATOM 0 H ALA A 8 -4.944 -15.315 -7.150 1.00 3.33 H new ATOM 0 HA ALA A 8 -7.367 -14.342 -8.453 1.00 10.52 H new ATOM 0 HB1 ALA A 8 -6.175 -13.974 -10.588 1.00 70.11 H new ATOM 0 HB2 ALA A 8 -5.640 -12.836 -9.329 1.00 70.11 H new ATOM 0 HB3 ALA A 8 -4.623 -14.232 -9.757 1.00 70.11 H new ATOM 103 N ARG A 9 -7.280 -16.428 -10.032 1.00 0.22 N ATOM 104 CA ARG A 9 -7.459 -17.777 -10.554 1.00 34.35 C ATOM 105 C ARG A 9 -7.125 -17.835 -12.041 1.00 32.22 C ATOM 106 O ARG A 9 -7.315 -16.859 -12.767 1.00 65.03 O ATOM 107 CB ARG A 9 -8.896 -18.248 -10.324 1.00 72.44 C ATOM 108 CG ARG A 9 -9.043 -19.216 -9.160 1.00 3.43 C ATOM 109 CD ARG A 9 -9.743 -18.563 -7.978 1.00 25.44 C ATOM 110 NE ARG A 9 -10.538 -19.523 -7.217 1.00 74.04 N ATOM 111 CZ ARG A 9 -10.974 -19.300 -5.982 1.00 32.12 C ATOM 112 NH1 ARG A 9 -10.692 -18.156 -5.372 1.00 23.42 N ATOM 113 NH2 ARG A 9 -11.693 -20.222 -5.355 1.00 15.32 N ATOM 0 H ARG A 9 -7.844 -15.717 -10.498 1.00 0.22 H new ATOM 0 HA ARG A 9 -6.776 -18.439 -10.021 1.00 34.35 H new ATOM 0 HB2 ARG A 9 -9.529 -17.379 -10.145 1.00 72.44 H new ATOM 0 HB3 ARG A 9 -9.262 -18.727 -11.232 1.00 72.44 H new ATOM 0 HG2 ARG A 9 -9.609 -20.090 -9.482 1.00 3.43 H new ATOM 0 HG3 ARG A 9 -8.059 -19.569 -8.852 1.00 3.43 H new ATOM 0 HD2 ARG A 9 -9.000 -18.107 -7.323 1.00 25.44 H new ATOM 0 HD3 ARG A 9 -10.388 -17.761 -8.336 1.00 25.44 H new ATOM 0 HE ARG A 9 -10.771 -20.413 -7.658 1.00 74.04 H new ATOM 0 HH11 ARG A 9 -10.139 -17.445 -5.851 1.00 23.42 H new ATOM 0 HH12 ARG A 9 -11.028 -17.987 -4.424 1.00 23.42 H new ATOM 0 HH21 ARG A 9 -11.911 -21.103 -5.821 1.00 15.32 H new ATOM 0 HH22 ARG A 9 -12.027 -20.050 -4.407 1.00 15.32 H new ATOM 127 N ILE A 10 -6.627 -18.983 -12.486 1.00 63.45 N ATOM 128 CA ILE A 10 -6.268 -19.168 -13.887 1.00 12.23 C ATOM 129 C ILE A 10 -7.423 -18.785 -14.806 1.00 73.10 C ATOM 130 O ILE A 10 -8.516 -19.345 -14.714 1.00 3.44 O ATOM 131 CB ILE A 10 -5.857 -20.623 -14.176 1.00 61.53 C ATOM 132 CG1 ILE A 10 -4.655 -21.017 -13.317 1.00 23.45 C ATOM 133 CG2 ILE A 10 -5.541 -20.802 -15.654 1.00 52.54 C ATOM 134 CD1 ILE A 10 -4.500 -22.512 -13.144 1.00 34.34 C ATOM 0 H ILE A 10 -6.463 -19.799 -11.897 1.00 63.45 H new ATOM 0 HA ILE A 10 -5.418 -18.514 -14.084 1.00 12.23 H new ATOM 0 HB ILE A 10 -6.691 -21.277 -13.922 1.00 61.53 H new ATOM 0 HG12 ILE A 10 -3.748 -20.616 -13.770 1.00 23.45 H new ATOM 0 HG13 ILE A 10 -4.753 -20.554 -12.335 1.00 23.45 H new ATOM 0 HG21 ILE A 10 -5.252 -21.836 -15.842 1.00 52.54 H new ATOM 0 HG22 ILE A 10 -6.423 -20.558 -16.247 1.00 52.54 H new ATOM 0 HG23 ILE A 10 -4.721 -20.140 -15.934 1.00 52.54 H new ATOM 0 HD11 ILE A 10 -3.628 -22.718 -12.524 1.00 34.34 H new ATOM 0 HD12 ILE A 10 -5.391 -22.917 -12.663 1.00 34.34 H new ATOM 0 HD13 ILE A 10 -4.370 -22.980 -14.120 1.00 34.34 H new ATOM 146 N GLY A 11 -7.173 -17.828 -15.695 1.00 55.25 N ATOM 147 CA GLY A 11 -8.202 -17.387 -16.619 1.00 62.21 C ATOM 148 C GLY A 11 -9.062 -16.279 -16.045 1.00 52.30 C ATOM 149 O GLY A 11 -10.056 -15.880 -16.651 1.00 43.32 O ATOM 0 H GLY A 11 -6.277 -17.351 -15.792 1.00 55.25 H new ATOM 0 HA2 GLY A 11 -7.734 -17.039 -17.540 1.00 62.21 H new ATOM 0 HA3 GLY A 11 -8.835 -18.234 -16.884 1.00 62.21 H new ATOM 153 N GLU A 12 -8.681 -15.783 -14.872 1.00 1.23 N ATOM 154 CA GLU A 12 -9.427 -14.716 -14.215 1.00 3.41 C ATOM 155 C GLU A 12 -8.732 -13.371 -14.405 1.00 44.32 C ATOM 156 O GLU A 12 -7.507 -13.262 -14.349 1.00 14.14 O ATOM 157 CB GLU A 12 -9.582 -15.016 -12.723 1.00 2.51 C ATOM 158 CG GLU A 12 -10.291 -16.329 -12.437 1.00 53.14 C ATOM 159 CD GLU A 12 -11.492 -16.551 -13.337 1.00 10.14 C ATOM 160 OE1 GLU A 12 -12.573 -16.008 -13.029 1.00 72.41 O ATOM 161 OE2 GLU A 12 -11.350 -17.268 -14.349 1.00 25.24 O ATOM 0 H GLU A 12 -7.860 -16.103 -14.357 1.00 1.23 H new ATOM 0 HA GLU A 12 -10.415 -14.663 -14.672 1.00 3.41 H new ATOM 0 HB2 GLU A 12 -8.595 -15.037 -12.261 1.00 2.51 H new ATOM 0 HB3 GLU A 12 -10.136 -14.204 -12.253 1.00 2.51 H new ATOM 0 HG2 GLU A 12 -9.588 -17.153 -12.565 1.00 53.14 H new ATOM 0 HG3 GLU A 12 -10.614 -16.344 -11.396 1.00 53.14 H new ATOM 168 N PRO A 13 -9.532 -12.319 -14.637 1.00 61.25 N ATOM 169 CA PRO A 13 -9.018 -10.962 -14.840 1.00 43.33 C ATOM 170 C PRO A 13 -8.441 -10.364 -13.562 1.00 4.41 C ATOM 171 O PRO A 13 -8.952 -10.601 -12.467 1.00 4.24 O ATOM 172 CB PRO A 13 -10.255 -10.177 -15.287 1.00 11.55 C ATOM 173 CG PRO A 13 -11.406 -10.928 -14.714 1.00 51.22 C ATOM 174 CD PRO A 13 -11.002 -12.375 -14.719 1.00 65.51 C ATOM 0 HA PRO A 13 -8.199 -10.940 -15.559 1.00 43.33 H new ATOM 0 HB2 PRO A 13 -10.228 -9.152 -14.918 1.00 11.55 H new ATOM 0 HB3 PRO A 13 -10.319 -10.123 -16.374 1.00 11.55 H new ATOM 0 HG2 PRO A 13 -11.628 -10.589 -13.702 1.00 51.22 H new ATOM 0 HG3 PRO A 13 -12.307 -10.773 -15.307 1.00 51.22 H new ATOM 0 HD2 PRO A 13 -11.431 -12.915 -13.875 1.00 65.51 H new ATOM 0 HD3 PRO A 13 -11.335 -12.882 -15.625 1.00 65.51 H new ATOM 182 N LEU A 14 -7.372 -9.588 -13.709 1.00 41.32 N ATOM 183 CA LEU A 14 -6.725 -8.954 -12.565 1.00 23.45 C ATOM 184 C LEU A 14 -6.202 -7.570 -12.934 1.00 11.35 C ATOM 185 O LEU A 14 -5.700 -7.357 -14.038 1.00 32.11 O ATOM 186 CB LEU A 14 -5.576 -9.827 -12.057 1.00 41.10 C ATOM 187 CG LEU A 14 -4.932 -9.389 -10.741 1.00 11.52 C ATOM 188 CD1 LEU A 14 -5.935 -9.472 -9.601 1.00 22.51 C ATOM 189 CD2 LEU A 14 -3.705 -10.239 -10.439 1.00 75.24 C ATOM 0 H LEU A 14 -6.936 -9.383 -14.608 1.00 41.32 H new ATOM 0 HA LEU A 14 -7.467 -8.843 -11.774 1.00 23.45 H new ATOM 0 HB2 LEU A 14 -5.946 -10.845 -11.936 1.00 41.10 H new ATOM 0 HB3 LEU A 14 -4.803 -9.858 -12.824 1.00 41.10 H new ATOM 0 HG LEU A 14 -4.615 -8.351 -10.842 1.00 11.52 H new ATOM 0 HD11 LEU A 14 -5.458 -9.156 -8.673 1.00 22.51 H new ATOM 0 HD12 LEU A 14 -6.782 -8.820 -9.814 1.00 22.51 H new ATOM 0 HD13 LEU A 14 -6.285 -10.499 -9.498 1.00 22.51 H new ATOM 0 HD21 LEU A 14 -3.259 -9.914 -9.499 1.00 75.24 H new ATOM 0 HD22 LEU A 14 -3.998 -11.286 -10.358 1.00 75.24 H new ATOM 0 HD23 LEU A 14 -2.978 -10.127 -11.243 1.00 75.24 H new ATOM 201 N VAL A 15 -6.320 -6.630 -12.000 1.00 43.31 N ATOM 202 CA VAL A 15 -5.856 -5.266 -12.226 1.00 32.22 C ATOM 203 C VAL A 15 -4.837 -4.851 -11.170 1.00 23.31 C ATOM 204 O VAL A 15 -4.904 -5.289 -10.021 1.00 13.51 O ATOM 205 CB VAL A 15 -7.028 -4.266 -12.213 1.00 2.13 C ATOM 206 CG1 VAL A 15 -6.551 -2.880 -12.619 1.00 45.22 C ATOM 207 CG2 VAL A 15 -8.145 -4.744 -13.128 1.00 71.11 C ATOM 0 H VAL A 15 -6.733 -6.788 -11.081 1.00 43.31 H new ATOM 0 HA VAL A 15 -5.385 -5.250 -13.209 1.00 32.22 H new ATOM 0 HB VAL A 15 -7.421 -4.206 -11.198 1.00 2.13 H new ATOM 0 HG11 VAL A 15 -7.392 -2.187 -12.604 1.00 45.22 H new ATOM 0 HG12 VAL A 15 -5.787 -2.539 -11.920 1.00 45.22 H new ATOM 0 HG13 VAL A 15 -6.131 -2.920 -13.624 1.00 45.22 H new ATOM 0 HG21 VAL A 15 -8.965 -4.026 -13.107 1.00 71.11 H new ATOM 0 HG22 VAL A 15 -7.768 -4.834 -14.147 1.00 71.11 H new ATOM 0 HG23 VAL A 15 -8.504 -5.715 -12.787 1.00 71.11 H new ATOM 217 N LEU A 16 -3.893 -4.005 -11.567 1.00 61.24 N ATOM 218 CA LEU A 16 -2.860 -3.529 -10.656 1.00 4.25 C ATOM 219 C LEU A 16 -2.718 -2.013 -10.737 1.00 0.23 C ATOM 220 O LEU A 16 -2.940 -1.412 -11.788 1.00 3.32 O ATOM 221 CB LEU A 16 -1.521 -4.196 -10.980 1.00 13.31 C ATOM 222 CG LEU A 16 -1.408 -5.680 -10.630 1.00 65.24 C ATOM 223 CD1 LEU A 16 -0.019 -6.203 -10.959 1.00 1.42 C ATOM 224 CD2 LEU A 16 -1.733 -5.908 -9.161 1.00 33.34 C ATOM 0 H LEU A 16 -3.822 -3.635 -12.515 1.00 61.24 H new ATOM 0 HA LEU A 16 -3.156 -3.793 -9.641 1.00 4.25 H new ATOM 0 HB2 LEU A 16 -1.328 -4.079 -12.046 1.00 13.31 H new ATOM 0 HB3 LEU A 16 -0.733 -3.658 -10.453 1.00 13.31 H new ATOM 0 HG LEU A 16 -2.132 -6.231 -11.231 1.00 65.24 H new ATOM 0 HD11 LEU A 16 0.042 -7.261 -10.703 1.00 1.42 H new ATOM 0 HD12 LEU A 16 0.175 -6.076 -12.024 1.00 1.42 H new ATOM 0 HD13 LEU A 16 0.724 -5.648 -10.386 1.00 1.42 H new ATOM 0 HD21 LEU A 16 -1.647 -6.970 -8.930 1.00 33.34 H new ATOM 0 HD22 LEU A 16 -1.035 -5.345 -8.542 1.00 33.34 H new ATOM 0 HD23 LEU A 16 -2.750 -5.573 -8.957 1.00 33.34 H new ATOM 236 N LYS A 17 -2.343 -1.398 -9.620 1.00 75.41 N ATOM 237 CA LYS A 17 -2.167 0.048 -9.563 1.00 50.43 C ATOM 238 C LYS A 17 -0.696 0.411 -9.388 1.00 55.12 C ATOM 239 O LYS A 17 0.081 -0.361 -8.826 1.00 73.22 O ATOM 240 CB LYS A 17 -2.990 0.639 -8.416 1.00 70.33 C ATOM 241 CG LYS A 17 -3.719 1.918 -8.785 1.00 43.44 C ATOM 242 CD LYS A 17 -3.466 3.018 -7.768 1.00 63.10 C ATOM 243 CE LYS A 17 -2.022 3.493 -7.808 1.00 43.23 C ATOM 244 NZ LYS A 17 -1.885 4.893 -7.317 1.00 13.03 N ATOM 0 H LYS A 17 -2.155 -1.880 -8.741 1.00 75.41 H new ATOM 0 HA LYS A 17 -2.517 0.468 -10.506 1.00 50.43 H new ATOM 0 HB2 LYS A 17 -3.718 -0.101 -8.084 1.00 70.33 H new ATOM 0 HB3 LYS A 17 -2.330 0.838 -7.572 1.00 70.33 H new ATOM 0 HG2 LYS A 17 -3.395 2.251 -9.771 1.00 43.44 H new ATOM 0 HG3 LYS A 17 -4.789 1.722 -8.851 1.00 43.44 H new ATOM 0 HD2 LYS A 17 -4.132 3.858 -7.966 1.00 63.10 H new ATOM 0 HD3 LYS A 17 -3.702 2.652 -6.769 1.00 63.10 H new ATOM 0 HE2 LYS A 17 -1.405 2.832 -7.199 1.00 43.23 H new ATOM 0 HE3 LYS A 17 -1.646 3.428 -8.829 1.00 43.23 H new ATOM 0 HZ1 LYS A 17 -0.886 5.180 -7.360 1.00 13.03 H new ATOM 0 HZ2 LYS A 17 -2.453 5.527 -7.914 1.00 13.03 H new ATOM 0 HZ3 LYS A 17 -2.220 4.950 -6.334 1.00 13.03 H new ATOM 258 N CYS A 18 -0.321 1.592 -9.869 1.00 61.30 N ATOM 259 CA CYS A 18 1.056 2.058 -9.765 1.00 31.43 C ATOM 260 C CYS A 18 1.178 3.160 -8.717 1.00 10.52 C ATOM 261 O CYS A 18 0.840 4.316 -8.972 1.00 3.44 O ATOM 262 CB CYS A 18 1.547 2.571 -11.120 1.00 0.12 C ATOM 263 SG CYS A 18 3.338 2.366 -11.388 1.00 51.44 S ATOM 0 H CYS A 18 -0.952 2.244 -10.335 1.00 61.30 H new ATOM 0 HA CYS A 18 1.676 1.216 -9.457 1.00 31.43 H new ATOM 0 HB2 CYS A 18 1.010 2.048 -11.911 1.00 0.12 H new ATOM 0 HB3 CYS A 18 1.296 3.628 -11.209 1.00 0.12 H new ATOM 268 N LYS A 19 1.665 2.794 -7.536 1.00 30.32 N ATOM 269 CA LYS A 19 1.835 3.750 -6.448 1.00 31.31 C ATOM 270 C LYS A 19 2.834 4.838 -6.830 1.00 72.42 C ATOM 271 O LYS A 19 4.022 4.571 -6.998 1.00 1.23 O ATOM 272 CB LYS A 19 2.307 3.033 -5.181 1.00 72.10 C ATOM 273 CG LYS A 19 1.207 2.828 -4.154 1.00 32.22 C ATOM 274 CD LYS A 19 0.264 1.708 -4.562 1.00 22.13 C ATOM 275 CE LYS A 19 -1.166 1.997 -4.130 1.00 4.52 C ATOM 276 NZ LYS A 19 -2.150 1.163 -4.874 1.00 23.12 N ATOM 0 H LYS A 19 1.949 1.841 -7.308 1.00 30.32 H new ATOM 0 HA LYS A 19 0.870 4.219 -6.256 1.00 31.31 H new ATOM 0 HB2 LYS A 19 2.722 2.063 -5.455 1.00 72.10 H new ATOM 0 HB3 LYS A 19 3.114 3.608 -4.727 1.00 72.10 H new ATOM 0 HG2 LYS A 19 1.651 2.596 -3.186 1.00 32.22 H new ATOM 0 HG3 LYS A 19 0.644 3.753 -4.033 1.00 32.22 H new ATOM 0 HD2 LYS A 19 0.299 1.578 -5.644 1.00 22.13 H new ATOM 0 HD3 LYS A 19 0.597 0.770 -4.117 1.00 22.13 H new ATOM 0 HE2 LYS A 19 -1.267 1.811 -3.061 1.00 4.52 H new ATOM 0 HE3 LYS A 19 -1.388 3.052 -4.292 1.00 4.52 H new ATOM 0 HZ1 LYS A 19 -3.078 1.223 -4.408 1.00 23.12 H new ATOM 0 HZ2 LYS A 19 -2.230 1.509 -5.851 1.00 23.12 H new ATOM 0 HZ3 LYS A 19 -1.830 0.173 -4.883 1.00 23.12 H new ATOM 290 N GLY A 20 2.342 6.065 -6.965 1.00 54.33 N ATOM 291 CA GLY A 20 3.204 7.175 -7.326 1.00 11.50 C ATOM 292 C GLY A 20 2.664 7.975 -8.494 1.00 64.34 C ATOM 293 O GLY A 20 2.760 9.201 -8.514 1.00 41.33 O ATOM 0 H GLY A 20 1.361 6.311 -6.831 1.00 54.33 H new ATOM 0 HA2 GLY A 20 3.324 7.832 -6.465 1.00 11.50 H new ATOM 0 HA3 GLY A 20 4.194 6.795 -7.577 1.00 11.50 H new ATOM 434 N LEU A 29 7.203 6.071 -17.939 1.00 72.13 N ATOM 435 CA LEU A 29 7.286 5.087 -16.865 1.00 2.22 C ATOM 436 C LEU A 29 7.566 3.695 -17.422 1.00 45.20 C ATOM 437 O LEU A 29 7.219 3.392 -18.562 1.00 65.33 O ATOM 438 CB LEU A 29 5.988 5.074 -16.057 1.00 1.33 C ATOM 439 CG LEU A 29 4.697 5.250 -16.857 1.00 13.53 C ATOM 440 CD1 LEU A 29 4.469 4.056 -17.771 1.00 0.30 C ATOM 441 CD2 LEU A 29 3.512 5.443 -15.922 1.00 20.12 C ATOM 0 HA LEU A 29 8.111 5.369 -16.211 1.00 2.22 H new ATOM 0 HB2 LEU A 29 5.930 4.130 -15.515 1.00 1.33 H new ATOM 0 HB3 LEU A 29 6.040 5.867 -15.311 1.00 1.33 H new ATOM 0 HG LEU A 29 4.794 6.142 -17.476 1.00 13.53 H new ATOM 0 HD11 LEU A 29 3.546 4.199 -18.332 1.00 0.30 H new ATOM 0 HD12 LEU A 29 5.305 3.964 -18.464 1.00 0.30 H new ATOM 0 HD13 LEU A 29 4.393 3.149 -17.172 1.00 0.30 H new ATOM 0 HD21 LEU A 29 2.602 5.567 -16.509 1.00 20.12 H new ATOM 0 HD22 LEU A 29 3.412 4.570 -15.277 1.00 20.12 H new ATOM 0 HD23 LEU A 29 3.672 6.330 -15.310 1.00 20.12 H new ATOM 453 N GLU A 30 8.194 2.853 -16.608 1.00 2.13 N ATOM 454 CA GLU A 30 8.519 1.492 -17.019 1.00 44.34 C ATOM 455 C GLU A 30 7.855 0.471 -16.099 1.00 43.42 C ATOM 456 O GLU A 30 7.671 0.723 -14.908 1.00 62.31 O ATOM 457 CB GLU A 30 10.035 1.283 -17.022 1.00 14.34 C ATOM 458 CG GLU A 30 10.481 0.067 -17.814 1.00 22.44 C ATOM 459 CD GLU A 30 10.814 0.399 -19.255 1.00 44.05 C ATOM 460 OE1 GLU A 30 10.221 1.356 -19.796 1.00 11.44 O ATOM 461 OE2 GLU A 30 11.668 -0.298 -19.842 1.00 63.34 O ATOM 0 H GLU A 30 8.488 3.089 -15.660 1.00 2.13 H new ATOM 0 HA GLU A 30 8.138 1.346 -18.030 1.00 44.34 H new ATOM 0 HB2 GLU A 30 10.515 2.171 -17.435 1.00 14.34 H new ATOM 0 HB3 GLU A 30 10.381 1.183 -15.993 1.00 14.34 H new ATOM 0 HG2 GLU A 30 11.356 -0.373 -17.335 1.00 22.44 H new ATOM 0 HG3 GLU A 30 9.693 -0.686 -17.791 1.00 22.44 H new ATOM 468 N TRP A 31 7.498 -0.678 -16.661 1.00 1.44 N ATOM 469 CA TRP A 31 6.855 -1.736 -15.891 1.00 15.22 C ATOM 470 C TRP A 31 7.560 -3.071 -16.104 1.00 42.22 C ATOM 471 O TRP A 31 7.950 -3.407 -17.223 1.00 52.43 O ATOM 472 CB TRP A 31 5.381 -1.856 -16.283 1.00 12.44 C ATOM 473 CG TRP A 31 4.554 -0.681 -15.853 1.00 3.34 C ATOM 474 CD1 TRP A 31 4.743 0.625 -16.203 1.00 42.22 C ATOM 475 CD2 TRP A 31 3.413 -0.707 -14.990 1.00 64.14 C ATOM 476 NE1 TRP A 31 3.786 1.414 -15.611 1.00 71.41 N ATOM 477 CE2 TRP A 31 2.957 0.620 -14.862 1.00 23.42 C ATOM 478 CE3 TRP A 31 2.728 -1.722 -14.316 1.00 34.21 C ATOM 479 CZ2 TRP A 31 1.851 0.955 -14.086 1.00 74.24 C ATOM 480 CZ3 TRP A 31 1.630 -1.387 -13.546 1.00 3.20 C ATOM 481 CH2 TRP A 31 1.200 -0.058 -13.436 1.00 44.32 C ATOM 0 H TRP A 31 7.643 -0.901 -17.646 1.00 1.44 H new ATOM 0 HA TRP A 31 6.924 -1.475 -14.835 1.00 15.22 H new ATOM 0 HB2 TRP A 31 5.308 -1.966 -17.365 1.00 12.44 H new ATOM 0 HB3 TRP A 31 4.968 -2.763 -15.842 1.00 12.44 H new ATOM 0 HD1 TRP A 31 5.529 0.985 -16.850 1.00 42.22 H new ATOM 0 HE1 TRP A 31 3.706 2.426 -15.712 1.00 71.41 H new ATOM 0 HE3 TRP A 31 3.051 -2.750 -14.395 1.00 34.21 H new ATOM 0 HZ2 TRP A 31 1.518 1.979 -14.000 1.00 74.24 H new ATOM 0 HZ3 TRP A 31 1.094 -2.163 -13.020 1.00 3.20 H new ATOM 0 HH2 TRP A 31 0.338 0.171 -12.827 1.00 44.32 H new ATOM 492 N LYS A 32 7.721 -3.829 -15.026 1.00 34.34 N ATOM 493 CA LYS A 32 8.378 -5.129 -15.095 1.00 11.23 C ATOM 494 C LYS A 32 7.730 -6.119 -14.132 1.00 74.44 C ATOM 495 O LYS A 32 7.435 -5.783 -12.984 1.00 1.42 O ATOM 496 CB LYS A 32 9.867 -4.989 -14.771 1.00 41.21 C ATOM 497 CG LYS A 32 10.751 -5.949 -15.547 1.00 2.22 C ATOM 498 CD LYS A 32 12.155 -5.394 -15.726 1.00 42.32 C ATOM 499 CE LYS A 32 13.019 -5.655 -14.502 1.00 60.33 C ATOM 500 NZ LYS A 32 14.393 -5.108 -14.665 1.00 23.54 N ATOM 0 H LYS A 32 7.405 -3.566 -14.093 1.00 34.34 H new ATOM 0 HA LYS A 32 8.267 -5.510 -16.110 1.00 11.23 H new ATOM 0 HB2 LYS A 32 10.182 -3.967 -14.982 1.00 41.21 H new ATOM 0 HB3 LYS A 32 10.015 -5.154 -13.704 1.00 41.21 H new ATOM 0 HG2 LYS A 32 10.800 -6.904 -15.023 1.00 2.22 H new ATOM 0 HG3 LYS A 32 10.308 -6.144 -16.524 1.00 2.22 H new ATOM 0 HD2 LYS A 32 12.618 -5.848 -16.602 1.00 42.32 H new ATOM 0 HD3 LYS A 32 12.102 -4.321 -15.913 1.00 42.32 H new ATOM 0 HE2 LYS A 32 12.551 -5.206 -13.625 1.00 60.33 H new ATOM 0 HE3 LYS A 32 13.075 -6.728 -14.319 1.00 60.33 H new ATOM 0 HZ1 LYS A 32 14.950 -5.307 -13.809 1.00 23.54 H new ATOM 0 HZ2 LYS A 32 14.849 -5.554 -15.486 1.00 23.54 H new ATOM 0 HZ3 LYS A 32 14.342 -4.080 -14.814 1.00 23.54 H new ATOM 514 N LEU A 33 7.508 -7.340 -14.606 1.00 21.04 N ATOM 515 CA LEU A 33 6.896 -8.380 -13.786 1.00 43.33 C ATOM 516 C LEU A 33 7.581 -9.724 -14.010 1.00 50.41 C ATOM 517 O LEU A 33 7.926 -10.076 -15.137 1.00 2.31 O ATOM 518 CB LEU A 33 5.404 -8.496 -14.106 1.00 42.11 C ATOM 519 CG LEU A 33 4.957 -7.906 -15.444 1.00 71.24 C ATOM 520 CD1 LEU A 33 3.749 -8.658 -15.981 1.00 24.41 C ATOM 521 CD2 LEU A 33 4.642 -6.424 -15.295 1.00 70.34 C ATOM 0 H LEU A 33 7.743 -7.634 -15.554 1.00 21.04 H new ATOM 0 HA LEU A 33 7.017 -8.101 -12.739 1.00 43.33 H new ATOM 0 HB2 LEU A 33 5.130 -9.551 -14.087 1.00 42.11 H new ATOM 0 HB3 LEU A 33 4.843 -8.006 -13.310 1.00 42.11 H new ATOM 0 HG LEU A 33 5.774 -8.013 -16.158 1.00 71.24 H new ATOM 0 HD11 LEU A 33 3.445 -8.225 -16.934 1.00 24.41 H new ATOM 0 HD12 LEU A 33 4.008 -9.707 -16.126 1.00 24.41 H new ATOM 0 HD13 LEU A 33 2.927 -8.582 -15.269 1.00 24.41 H new ATOM 0 HD21 LEU A 33 4.326 -6.021 -16.257 1.00 70.34 H new ATOM 0 HD22 LEU A 33 3.842 -6.294 -14.566 1.00 70.34 H new ATOM 0 HD23 LEU A 33 5.532 -5.895 -14.955 1.00 70.34 H new ATOM 533 N ASN A 34 7.773 -10.472 -12.929 1.00 55.01 N ATOM 534 CA ASN A 34 8.415 -11.780 -13.007 1.00 55.34 C ATOM 535 C ASN A 34 7.422 -12.893 -12.690 1.00 14.25 C ATOM 536 O ASN A 34 6.744 -12.863 -11.662 1.00 74.02 O ATOM 537 CB ASN A 34 9.600 -11.846 -12.041 1.00 62.30 C ATOM 538 CG ASN A 34 10.234 -13.224 -11.999 1.00 62.34 C ATOM 539 OD1 ASN A 34 9.759 -14.116 -11.297 1.00 74.42 O ATOM 540 ND2 ASN A 34 11.312 -13.402 -12.752 1.00 43.22 N ATOM 0 H ASN A 34 7.493 -10.195 -11.988 1.00 55.01 H new ATOM 0 HA ASN A 34 8.777 -11.921 -14.026 1.00 55.34 H new ATOM 0 HB2 ASN A 34 10.350 -11.113 -12.339 1.00 62.30 H new ATOM 0 HB3 ASN A 34 9.266 -11.572 -11.040 1.00 62.30 H new ATOM 0 HD21 ASN A 34 11.782 -14.307 -12.764 1.00 43.22 H new ATOM 0 HD22 ASN A 34 11.671 -12.633 -13.319 1.00 43.22 H new ATOM 547 N THR A 35 7.341 -13.878 -13.579 1.00 1.32 N ATOM 548 CA THR A 35 6.431 -15.001 -13.395 1.00 24.24 C ATOM 549 C THR A 35 7.104 -16.319 -13.763 1.00 11.21 C ATOM 550 O THR A 35 8.259 -16.341 -14.186 1.00 22.42 O ATOM 551 CB THR A 35 5.155 -14.836 -14.242 1.00 4.52 C ATOM 552 OG1 THR A 35 5.403 -15.256 -15.588 1.00 64.13 O ATOM 553 CG2 THR A 35 4.686 -13.389 -14.236 1.00 0.24 C ATOM 0 H THR A 35 7.895 -13.920 -14.434 1.00 1.32 H new ATOM 0 HA THR A 35 6.158 -15.017 -12.340 1.00 24.24 H new ATOM 0 HB THR A 35 4.373 -15.457 -13.806 1.00 4.52 H new ATOM 0 HG1 THR A 35 4.892 -16.071 -15.776 1.00 64.13 H new ATOM 0 HG21 THR A 35 3.784 -13.296 -14.840 1.00 0.24 H new ATOM 0 HG22 THR A 35 4.471 -13.081 -13.213 1.00 0.24 H new ATOM 0 HG23 THR A 35 5.467 -12.752 -14.650 1.00 0.24 H new ATOM 561 N GLY A 36 6.374 -17.418 -13.599 1.00 74.05 N ATOM 562 CA GLY A 36 6.917 -18.725 -13.919 1.00 70.54 C ATOM 563 C GLY A 36 7.976 -19.170 -12.931 1.00 4.45 C ATOM 564 O GLY A 36 7.766 -19.117 -11.719 1.00 1.43 O ATOM 0 H GLY A 36 5.416 -17.426 -13.250 1.00 74.05 H new ATOM 0 HA2 GLY A 36 6.109 -19.457 -13.935 1.00 70.54 H new ATOM 0 HA3 GLY A 36 7.346 -18.702 -14.921 1.00 70.54 H new ATOM 568 N ARG A 37 9.118 -19.612 -13.449 1.00 11.30 N ATOM 569 CA ARG A 37 10.213 -20.071 -12.604 1.00 64.22 C ATOM 570 C ARG A 37 11.409 -19.129 -12.704 1.00 42.14 C ATOM 571 O ARG A 37 12.097 -18.873 -11.715 1.00 25.42 O ATOM 572 CB ARG A 37 10.633 -21.488 -13.001 1.00 74.31 C ATOM 573 CG ARG A 37 9.788 -22.575 -12.357 1.00 22.30 C ATOM 574 CD ARG A 37 8.368 -22.575 -12.903 1.00 11.01 C ATOM 575 NE ARG A 37 7.691 -23.848 -12.668 1.00 11.22 N ATOM 576 CZ ARG A 37 6.485 -24.137 -13.144 1.00 12.14 C ATOM 577 NH1 ARG A 37 5.827 -23.249 -13.877 1.00 13.52 N ATOM 578 NH2 ARG A 37 5.935 -25.317 -12.887 1.00 44.42 N ATOM 0 H ARG A 37 9.308 -19.662 -14.450 1.00 11.30 H new ATOM 0 HA ARG A 37 9.863 -20.078 -11.572 1.00 64.22 H new ATOM 0 HB2 ARG A 37 10.572 -21.586 -14.085 1.00 74.31 H new ATOM 0 HB3 ARG A 37 11.677 -21.639 -12.726 1.00 74.31 H new ATOM 0 HG2 ARG A 37 10.247 -23.547 -12.535 1.00 22.30 H new ATOM 0 HG3 ARG A 37 9.764 -22.427 -11.277 1.00 22.30 H new ATOM 0 HD2 ARG A 37 7.800 -21.771 -12.436 1.00 11.01 H new ATOM 0 HD3 ARG A 37 8.391 -22.369 -13.973 1.00 11.01 H new ATOM 0 HE ARG A 37 8.170 -24.553 -12.108 1.00 11.22 H new ATOM 0 HH11 ARG A 37 6.247 -22.341 -14.077 1.00 13.52 H new ATOM 0 HH12 ARG A 37 4.901 -23.474 -14.241 1.00 13.52 H new ATOM 0 HH21 ARG A 37 6.438 -26.002 -12.324 1.00 44.42 H new ATOM 0 HH22 ARG A 37 5.009 -25.539 -13.253 1.00 44.42 H new ATOM 592 N THR A 38 11.652 -18.614 -13.907 1.00 75.32 N ATOM 593 CA THR A 38 12.765 -17.702 -14.136 1.00 42.12 C ATOM 594 C THR A 38 12.797 -17.230 -15.585 1.00 4.11 C ATOM 595 O THR A 38 13.234 -16.116 -15.875 1.00 33.21 O ATOM 596 CB THR A 38 14.113 -18.363 -13.793 1.00 45.21 C ATOM 597 OG1 THR A 38 15.130 -17.364 -13.666 1.00 54.21 O ATOM 598 CG2 THR A 38 14.513 -19.366 -14.866 1.00 53.52 C ATOM 0 H THR A 38 11.093 -18.814 -14.736 1.00 75.32 H new ATOM 0 HA THR A 38 12.613 -16.845 -13.480 1.00 42.12 H new ATOM 0 HB THR A 38 14.002 -18.892 -12.846 1.00 45.21 H new ATOM 0 HG1 THR A 38 15.984 -17.792 -13.446 1.00 54.21 H new ATOM 0 HG21 THR A 38 15.468 -19.820 -14.602 1.00 53.52 H new ATOM 0 HG22 THR A 38 13.751 -20.142 -14.941 1.00 53.52 H new ATOM 0 HG23 THR A 38 14.607 -18.855 -15.824 1.00 53.52 H new ATOM 606 N GLU A 39 12.332 -18.083 -16.493 1.00 31.24 N ATOM 607 CA GLU A 39 12.309 -17.751 -17.912 1.00 44.33 C ATOM 608 C GLU A 39 10.902 -17.358 -18.356 1.00 11.43 C ATOM 609 O GLU A 39 10.498 -17.628 -19.486 1.00 20.45 O ATOM 610 CB GLU A 39 12.805 -18.935 -18.743 1.00 63.22 C ATOM 611 CG GLU A 39 14.283 -19.233 -18.558 1.00 1.52 C ATOM 612 CD GLU A 39 14.628 -20.682 -18.843 1.00 61.43 C ATOM 613 OE1 GLU A 39 14.444 -21.525 -17.941 1.00 52.24 O ATOM 614 OE2 GLU A 39 15.080 -20.973 -19.971 1.00 15.44 O ATOM 0 H GLU A 39 11.966 -19.009 -16.270 1.00 31.24 H new ATOM 0 HA GLU A 39 12.973 -16.901 -18.071 1.00 44.33 H new ATOM 0 HB2 GLU A 39 12.229 -19.821 -18.477 1.00 63.22 H new ATOM 0 HB3 GLU A 39 12.613 -18.734 -19.797 1.00 63.22 H new ATOM 0 HG2 GLU A 39 14.865 -18.589 -19.217 1.00 1.52 H new ATOM 0 HG3 GLU A 39 14.574 -18.989 -17.536 1.00 1.52 H new ATOM 621 N ALA A 40 10.163 -16.716 -17.457 1.00 71.23 N ATOM 622 CA ALA A 40 8.803 -16.283 -17.755 1.00 30.55 C ATOM 623 C ALA A 40 8.636 -14.788 -17.510 1.00 12.32 C ATOM 624 O ALA A 40 7.587 -14.215 -17.801 1.00 75.41 O ATOM 625 CB ALA A 40 7.804 -17.072 -16.921 1.00 30.11 C ATOM 0 H ALA A 40 10.483 -16.484 -16.517 1.00 71.23 H new ATOM 0 HA ALA A 40 8.610 -16.474 -18.811 1.00 30.55 H new ATOM 0 HB1 ALA A 40 6.793 -16.739 -17.153 1.00 30.11 H new ATOM 0 HB2 ALA A 40 7.898 -18.134 -17.149 1.00 30.11 H new ATOM 0 HB3 ALA A 40 8.005 -16.909 -15.862 1.00 30.11 H new ATOM 631 N TRP A 41 9.678 -14.162 -16.973 1.00 73.32 N ATOM 632 CA TRP A 41 9.645 -12.732 -16.687 1.00 61.50 C ATOM 633 C TRP A 41 9.388 -11.930 -17.958 1.00 55.22 C ATOM 634 O TRP A 41 10.022 -12.157 -18.987 1.00 4.21 O ATOM 635 CB TRP A 41 10.962 -12.289 -16.048 1.00 33.44 C ATOM 636 CG TRP A 41 12.122 -12.315 -16.997 1.00 31.10 C ATOM 637 CD1 TRP A 41 12.685 -13.418 -17.573 1.00 71.22 C ATOM 638 CD2 TRP A 41 12.861 -11.188 -17.477 1.00 65.31 C ATOM 639 NE1 TRP A 41 13.730 -13.044 -18.383 1.00 70.22 N ATOM 640 CE2 TRP A 41 13.858 -11.682 -18.343 1.00 53.32 C ATOM 641 CE3 TRP A 41 12.777 -9.809 -17.264 1.00 21.11 C ATOM 642 CZ2 TRP A 41 14.762 -10.844 -18.991 1.00 15.25 C ATOM 643 CZ3 TRP A 41 13.676 -8.980 -17.907 1.00 51.11 C ATOM 644 CH2 TRP A 41 14.658 -9.498 -18.763 1.00 74.31 C ATOM 0 H TRP A 41 10.555 -14.622 -16.727 1.00 73.32 H new ATOM 0 HA TRP A 41 8.829 -12.544 -15.989 1.00 61.50 H new ATOM 0 HB2 TRP A 41 10.845 -11.279 -15.656 1.00 33.44 H new ATOM 0 HB3 TRP A 41 11.182 -12.937 -15.199 1.00 33.44 H new ATOM 0 HD1 TRP A 41 12.357 -14.435 -17.415 1.00 71.22 H new ATOM 0 HE1 TRP A 41 14.315 -13.679 -18.926 1.00 70.22 H new ATOM 0 HE3 TRP A 41 12.023 -9.399 -16.609 1.00 21.11 H new ATOM 0 HZ2 TRP A 41 15.519 -11.242 -19.651 1.00 15.25 H new ATOM 0 HZ3 TRP A 41 13.621 -7.913 -17.747 1.00 51.11 H new ATOM 0 HH2 TRP A 41 15.345 -8.823 -19.252 1.00 74.31 H new ATOM 655 N LYS A 42 8.452 -10.989 -17.879 1.00 34.04 N ATOM 656 CA LYS A 42 8.111 -10.150 -19.022 1.00 32.14 C ATOM 657 C LYS A 42 8.175 -8.673 -18.651 1.00 53.13 C ATOM 658 O LYS A 42 7.999 -8.306 -17.489 1.00 14.23 O ATOM 659 CB LYS A 42 6.712 -10.498 -19.535 1.00 65.14 C ATOM 660 CG LYS A 42 6.324 -11.949 -19.310 1.00 21.02 C ATOM 661 CD LYS A 42 5.622 -12.137 -17.975 1.00 70.30 C ATOM 662 CE LYS A 42 4.251 -11.479 -17.970 1.00 52.10 C ATOM 663 NZ LYS A 42 3.161 -12.465 -18.206 1.00 21.45 N ATOM 0 H LYS A 42 7.916 -10.789 -17.035 1.00 34.04 H new ATOM 0 HA LYS A 42 8.839 -10.340 -19.811 1.00 32.14 H new ATOM 0 HB2 LYS A 42 5.983 -9.855 -19.041 1.00 65.14 H new ATOM 0 HB3 LYS A 42 6.660 -10.278 -20.601 1.00 65.14 H new ATOM 0 HG2 LYS A 42 5.670 -12.281 -20.116 1.00 21.02 H new ATOM 0 HG3 LYS A 42 7.216 -12.575 -19.345 1.00 21.02 H new ATOM 0 HD2 LYS A 42 5.517 -13.201 -17.764 1.00 70.30 H new ATOM 0 HD3 LYS A 42 6.233 -11.713 -17.178 1.00 70.30 H new ATOM 0 HE2 LYS A 42 4.090 -10.982 -17.013 1.00 52.10 H new ATOM 0 HE3 LYS A 42 4.216 -10.708 -18.739 1.00 52.10 H new ATOM 0 HZ1 LYS A 42 2.288 -12.133 -17.749 1.00 21.45 H new ATOM 0 HZ2 LYS A 42 3.000 -12.567 -19.228 1.00 21.45 H new ATOM 0 HZ3 LYS A 42 3.433 -13.385 -17.805 1.00 21.45 H new ATOM 677 N VAL A 43 8.426 -7.827 -19.646 1.00 12.22 N ATOM 678 CA VAL A 43 8.510 -6.389 -19.423 1.00 44.14 C ATOM 679 C VAL A 43 7.251 -5.683 -19.913 1.00 45.33 C ATOM 680 O VAL A 43 6.893 -5.773 -21.088 1.00 74.53 O ATOM 681 CB VAL A 43 9.735 -5.782 -20.133 1.00 25.30 C ATOM 682 CG1 VAL A 43 9.800 -4.281 -19.897 1.00 63.14 C ATOM 683 CG2 VAL A 43 11.013 -6.460 -19.663 1.00 20.24 C ATOM 0 H VAL A 43 8.575 -8.113 -20.614 1.00 12.22 H new ATOM 0 HA VAL A 43 8.612 -6.240 -18.348 1.00 44.14 H new ATOM 0 HB VAL A 43 9.633 -5.953 -21.205 1.00 25.30 H new ATOM 0 HG11 VAL A 43 10.672 -3.870 -20.406 1.00 63.14 H new ATOM 0 HG12 VAL A 43 8.897 -3.812 -20.288 1.00 63.14 H new ATOM 0 HG13 VAL A 43 9.878 -4.084 -18.828 1.00 63.14 H new ATOM 0 HG21 VAL A 43 11.868 -6.019 -20.175 1.00 20.24 H new ATOM 0 HG22 VAL A 43 11.123 -6.323 -18.587 1.00 20.24 H new ATOM 0 HG23 VAL A 43 10.964 -7.525 -19.890 1.00 20.24 H new ATOM 693 N LEU A 44 6.583 -4.978 -19.006 1.00 22.54 N ATOM 694 CA LEU A 44 5.363 -4.255 -19.345 1.00 24.11 C ATOM 695 C LEU A 44 5.681 -2.837 -19.809 1.00 13.10 C ATOM 696 O LEU A 44 6.619 -2.208 -19.317 1.00 72.53 O ATOM 697 CB LEU A 44 4.422 -4.211 -18.140 1.00 54.43 C ATOM 698 CG LEU A 44 3.304 -5.253 -18.123 1.00 35.54 C ATOM 699 CD1 LEU A 44 2.200 -4.871 -19.096 1.00 21.11 C ATOM 700 CD2 LEU A 44 3.856 -6.632 -18.455 1.00 34.12 C ATOM 0 H LEU A 44 6.866 -4.892 -18.030 1.00 22.54 H new ATOM 0 HA LEU A 44 4.872 -4.783 -20.163 1.00 24.11 H new ATOM 0 HB2 LEU A 44 5.017 -4.331 -17.235 1.00 54.43 H new ATOM 0 HB3 LEU A 44 3.969 -3.221 -18.094 1.00 54.43 H new ATOM 0 HG LEU A 44 2.879 -5.284 -17.120 1.00 35.54 H new ATOM 0 HD11 LEU A 44 1.414 -5.626 -19.069 1.00 21.11 H new ATOM 0 HD12 LEU A 44 1.785 -3.904 -18.813 1.00 21.11 H new ATOM 0 HD13 LEU A 44 2.609 -4.809 -20.104 1.00 21.11 H new ATOM 0 HD21 LEU A 44 3.046 -7.362 -18.438 1.00 34.12 H new ATOM 0 HD22 LEU A 44 4.308 -6.614 -19.447 1.00 34.12 H new ATOM 0 HD23 LEU A 44 4.610 -6.909 -17.718 1.00 34.12 H new ATOM 712 N SER A 45 4.894 -2.340 -20.757 1.00 11.13 N ATOM 713 CA SER A 45 5.093 -0.997 -21.289 1.00 54.33 C ATOM 714 C SER A 45 3.812 -0.174 -21.180 1.00 5.53 C ATOM 715 O SER A 45 2.719 -0.704 -20.981 1.00 61.44 O ATOM 716 CB SER A 45 5.547 -1.065 -22.748 1.00 40.21 C ATOM 717 OG SER A 45 5.946 -2.378 -23.097 1.00 32.34 O ATOM 0 H SER A 45 4.113 -2.847 -21.173 1.00 11.13 H new ATOM 0 HA SER A 45 5.868 -0.510 -20.698 1.00 54.33 H new ATOM 0 HB2 SER A 45 4.735 -0.743 -23.400 1.00 40.21 H new ATOM 0 HB3 SER A 45 6.376 -0.375 -22.907 1.00 40.21 H new ATOM 0 HG SER A 45 6.230 -2.395 -24.035 1.00 32.34 H new ATOM 723 N PRO A 46 3.949 1.153 -21.315 1.00 41.22 N ATOM 724 CA PRO A 46 2.814 2.079 -21.236 1.00 23.33 C ATOM 725 C PRO A 46 1.882 1.955 -22.437 1.00 40.10 C ATOM 726 O PRO A 46 0.902 2.690 -22.550 1.00 32.33 O ATOM 727 CB PRO A 46 3.481 3.456 -21.217 1.00 21.11 C ATOM 728 CG PRO A 46 4.791 3.253 -21.896 1.00 23.41 C ATOM 729 CD PRO A 46 5.222 1.854 -21.554 1.00 22.11 C ATOM 0 HA PRO A 46 2.186 1.883 -20.367 1.00 23.33 H new ATOM 0 HB2 PRO A 46 2.875 4.196 -21.739 1.00 21.11 H new ATOM 0 HB3 PRO A 46 3.616 3.816 -20.197 1.00 21.11 H new ATOM 0 HG2 PRO A 46 4.695 3.379 -22.974 1.00 23.41 H new ATOM 0 HG3 PRO A 46 5.525 3.982 -21.554 1.00 23.41 H new ATOM 0 HD2 PRO A 46 5.786 1.397 -22.367 1.00 22.11 H new ATOM 0 HD3 PRO A 46 5.863 1.835 -20.672 1.00 22.11 H new ATOM 737 N GLN A 47 2.195 1.021 -23.329 1.00 72.11 N ATOM 738 CA GLN A 47 1.383 0.802 -24.521 1.00 11.24 C ATOM 739 C GLN A 47 0.767 -0.593 -24.512 1.00 75.13 C ATOM 740 O GLN A 47 1.435 -1.580 -24.815 1.00 1.20 O ATOM 741 CB GLN A 47 2.230 0.989 -25.781 1.00 72.04 C ATOM 742 CG GLN A 47 1.413 1.026 -27.063 1.00 72.04 C ATOM 743 CD GLN A 47 0.404 2.157 -27.079 1.00 51.23 C ATOM 744 OE1 GLN A 47 0.768 3.328 -27.205 1.00 35.51 O ATOM 745 NE2 GLN A 47 -0.873 1.815 -26.954 1.00 33.23 N ATOM 0 H GLN A 47 3.004 0.404 -23.250 1.00 72.11 H new ATOM 0 HA GLN A 47 0.577 1.535 -24.520 1.00 11.24 H new ATOM 0 HB2 GLN A 47 2.796 1.916 -25.694 1.00 72.04 H new ATOM 0 HB3 GLN A 47 2.955 0.178 -25.845 1.00 72.04 H new ATOM 0 HG2 GLN A 47 2.085 1.132 -27.915 1.00 72.04 H new ATOM 0 HG3 GLN A 47 0.891 0.077 -27.184 1.00 72.04 H new ATOM 0 HE21 GLN A 47 -1.130 0.833 -26.852 1.00 33.23 H new ATOM 0 HE22 GLN A 47 -1.596 2.534 -26.960 1.00 33.23 H new ATOM 852 N ALA A 56 -1.198 -9.373 -21.105 1.00 13.33 N ATOM 853 CA ALA A 56 -1.632 -8.266 -20.262 1.00 55.14 C ATOM 854 C ALA A 56 -1.469 -6.931 -20.980 1.00 0.21 C ATOM 855 O ALA A 56 -0.661 -6.807 -21.900 1.00 43.30 O ATOM 856 CB ALA A 56 -0.856 -8.263 -18.954 1.00 73.13 C ATOM 0 HA ALA A 56 -2.691 -8.403 -20.043 1.00 55.14 H new ATOM 0 HB1 ALA A 56 -1.191 -7.431 -18.334 1.00 73.13 H new ATOM 0 HB2 ALA A 56 -1.029 -9.201 -18.426 1.00 73.13 H new ATOM 0 HB3 ALA A 56 0.208 -8.155 -19.163 1.00 73.13 H new ATOM 862 N ARG A 57 -2.240 -5.936 -20.555 1.00 20.54 N ATOM 863 CA ARG A 57 -2.181 -4.611 -21.158 1.00 65.13 C ATOM 864 C ARG A 57 -2.102 -3.528 -20.087 1.00 73.45 C ATOM 865 O ARG A 57 -2.450 -3.759 -18.929 1.00 43.33 O ATOM 866 CB ARG A 57 -3.404 -4.377 -22.047 1.00 71.12 C ATOM 867 CG ARG A 57 -3.858 -5.618 -22.799 1.00 22.42 C ATOM 868 CD ARG A 57 -4.898 -6.398 -22.010 1.00 34.24 C ATOM 869 NE ARG A 57 -6.163 -5.677 -21.907 1.00 1.31 N ATOM 870 CZ ARG A 57 -6.982 -5.480 -22.934 1.00 40.54 C ATOM 871 NH1 ARG A 57 -6.670 -5.950 -24.135 1.00 54.05 N ATOM 872 NH2 ARG A 57 -8.116 -4.812 -22.762 1.00 2.21 N ATOM 0 H ARG A 57 -2.914 -6.023 -19.794 1.00 20.54 H new ATOM 0 HA ARG A 57 -1.280 -4.558 -21.770 1.00 65.13 H new ATOM 0 HB2 ARG A 57 -4.227 -4.015 -21.430 1.00 71.12 H new ATOM 0 HB3 ARG A 57 -3.175 -3.591 -22.766 1.00 71.12 H new ATOM 0 HG2 ARG A 57 -4.274 -5.328 -23.764 1.00 22.42 H new ATOM 0 HG3 ARG A 57 -2.998 -6.257 -23.001 1.00 22.42 H new ATOM 0 HD2 ARG A 57 -5.069 -7.362 -22.490 1.00 34.24 H new ATOM 0 HD3 ARG A 57 -4.515 -6.603 -21.010 1.00 34.24 H new ATOM 0 HE ARG A 57 -6.433 -5.304 -20.997 1.00 1.31 H new ATOM 0 HH11 ARG A 57 -5.800 -6.464 -24.271 1.00 54.05 H new ATOM 0 HH12 ARG A 57 -7.301 -5.797 -24.922 1.00 54.05 H new ATOM 0 HH21 ARG A 57 -8.359 -4.449 -21.840 1.00 2.21 H new ATOM 0 HH22 ARG A 57 -8.744 -4.661 -23.552 1.00 2.21 H new ATOM 886 N VAL A 58 -1.642 -2.345 -20.482 1.00 52.31 N ATOM 887 CA VAL A 58 -1.518 -1.225 -19.556 1.00 43.32 C ATOM 888 C VAL A 58 -2.552 -0.146 -19.858 1.00 1.13 C ATOM 889 O VAL A 58 -2.683 0.304 -20.996 1.00 64.43 O ATOM 890 CB VAL A 58 -0.111 -0.603 -19.614 1.00 13.41 C ATOM 891 CG1 VAL A 58 -0.097 0.751 -18.922 1.00 43.41 C ATOM 892 CG2 VAL A 58 0.911 -1.540 -18.988 1.00 23.23 C ATOM 0 H VAL A 58 -1.349 -2.137 -21.437 1.00 52.31 H new ATOM 0 HA VAL A 58 -1.691 -1.620 -18.555 1.00 43.32 H new ATOM 0 HB VAL A 58 0.158 -0.453 -20.660 1.00 13.41 H new ATOM 0 HG11 VAL A 58 0.906 1.175 -18.973 1.00 43.41 H new ATOM 0 HG12 VAL A 58 -0.800 1.420 -19.418 1.00 43.41 H new ATOM 0 HG13 VAL A 58 -0.387 0.629 -17.878 1.00 43.41 H new ATOM 0 HG21 VAL A 58 1.900 -1.085 -19.037 1.00 23.23 H new ATOM 0 HG22 VAL A 58 0.647 -1.723 -17.946 1.00 23.23 H new ATOM 0 HG23 VAL A 58 0.919 -2.485 -19.531 1.00 23.23 H new ATOM 902 N LEU A 59 -3.284 0.267 -18.829 1.00 0.31 N ATOM 903 CA LEU A 59 -4.307 1.296 -18.983 1.00 12.11 C ATOM 904 C LEU A 59 -3.675 2.657 -19.256 1.00 31.33 C ATOM 905 O LEU A 59 -2.509 2.900 -18.943 1.00 42.42 O ATOM 906 CB LEU A 59 -5.179 1.368 -17.727 1.00 10.51 C ATOM 907 CG LEU A 59 -6.227 0.267 -17.574 1.00 32.42 C ATOM 908 CD1 LEU A 59 -6.841 0.304 -16.183 1.00 13.22 C ATOM 909 CD2 LEU A 59 -7.306 0.405 -18.639 1.00 24.43 C ATOM 0 H LEU A 59 -3.188 -0.094 -17.880 1.00 0.31 H new ATOM 0 HA LEU A 59 -4.930 1.029 -19.836 1.00 12.11 H new ATOM 0 HB2 LEU A 59 -4.526 1.345 -16.854 1.00 10.51 H new ATOM 0 HB3 LEU A 59 -5.689 2.331 -17.718 1.00 10.51 H new ATOM 0 HG LEU A 59 -5.735 -0.697 -17.706 1.00 32.42 H new ATOM 0 HD11 LEU A 59 -7.585 -0.487 -16.093 1.00 13.22 H new ATOM 0 HD12 LEU A 59 -6.061 0.155 -15.437 1.00 13.22 H new ATOM 0 HD13 LEU A 59 -7.318 1.271 -16.021 1.00 13.22 H new ATOM 0 HD21 LEU A 59 -8.044 -0.388 -18.514 1.00 24.43 H new ATOM 0 HD22 LEU A 59 -7.794 1.374 -18.539 1.00 24.43 H new ATOM 0 HD23 LEU A 59 -6.854 0.327 -19.628 1.00 24.43 H new ATOM 921 N PRO A 60 -4.461 3.567 -19.850 1.00 11.22 N ATOM 922 CA PRO A 60 -3.999 4.920 -20.175 1.00 71.50 C ATOM 923 C PRO A 60 -3.785 5.774 -18.930 1.00 11.52 C ATOM 924 O PRO A 60 -3.052 6.762 -18.962 1.00 20.52 O ATOM 925 CB PRO A 60 -5.139 5.489 -21.024 1.00 14.21 C ATOM 926 CG PRO A 60 -6.346 4.725 -20.599 1.00 72.40 C ATOM 927 CD PRO A 60 -5.861 3.345 -20.249 1.00 3.33 C ATOM 0 HA PRO A 60 -3.034 4.911 -20.682 1.00 71.50 H new ATOM 0 HB2 PRO A 60 -5.266 6.558 -20.851 1.00 14.21 H new ATOM 0 HB3 PRO A 60 -4.943 5.359 -22.088 1.00 14.21 H new ATOM 0 HG2 PRO A 60 -6.826 5.199 -19.743 1.00 72.40 H new ATOM 0 HG3 PRO A 60 -7.086 4.687 -21.399 1.00 72.40 H new ATOM 0 HD2 PRO A 60 -6.445 2.907 -19.440 1.00 3.33 H new ATOM 0 HD3 PRO A 60 -5.934 2.666 -21.098 1.00 3.33 H new ATOM 935 N ASN A 61 -4.429 5.387 -17.833 1.00 64.21 N ATOM 936 CA ASN A 61 -4.309 6.117 -16.578 1.00 1.54 C ATOM 937 C ASN A 61 -3.051 5.699 -15.823 1.00 34.51 C ATOM 938 O ASN A 61 -2.778 6.190 -14.728 1.00 34.53 O ATOM 939 CB ASN A 61 -5.543 5.882 -15.706 1.00 31.24 C ATOM 940 CG ASN A 61 -5.893 4.411 -15.585 1.00 15.52 C ATOM 941 OD1 ASN A 61 -5.054 3.541 -15.816 1.00 4.45 O ATOM 942 ND2 ASN A 61 -7.138 4.127 -15.220 1.00 44.03 N ATOM 0 H ASN A 61 -5.040 4.571 -17.789 1.00 64.21 H new ATOM 0 HA ASN A 61 -4.235 7.179 -16.811 1.00 1.54 H new ATOM 0 HB2 ASN A 61 -5.366 6.294 -14.712 1.00 31.24 H new ATOM 0 HB3 ASN A 61 -6.391 6.421 -16.128 1.00 31.24 H new ATOM 0 HD21 ASN A 61 -7.431 3.155 -15.121 1.00 44.03 H new ATOM 0 HD22 ASN A 61 -7.801 4.881 -15.038 1.00 44.03 H new ATOM 949 N GLY A 62 -2.287 4.787 -16.416 1.00 64.22 N ATOM 950 CA GLY A 62 -1.068 4.316 -15.787 1.00 5.24 C ATOM 951 C GLY A 62 -1.295 3.091 -14.924 1.00 30.13 C ATOM 952 O GLY A 62 -0.571 2.862 -13.954 1.00 44.42 O ATOM 0 H GLY A 62 -2.491 4.366 -17.322 1.00 64.22 H new ATOM 0 HA2 GLY A 62 -0.333 4.083 -16.557 1.00 5.24 H new ATOM 0 HA3 GLY A 62 -0.647 5.114 -15.176 1.00 5.24 H new ATOM 956 N SER A 63 -2.305 2.302 -15.274 1.00 72.24 N ATOM 957 CA SER A 63 -2.631 1.096 -14.522 1.00 33.22 C ATOM 958 C SER A 63 -2.349 -0.154 -15.348 1.00 5.22 C ATOM 959 O SER A 63 -1.905 -0.068 -16.495 1.00 13.34 O ATOM 960 CB SER A 63 -4.099 1.117 -14.093 1.00 40.33 C ATOM 961 OG SER A 63 -4.295 1.979 -12.986 1.00 33.31 O ATOM 0 H SER A 63 -2.913 2.476 -16.075 1.00 72.24 H new ATOM 0 HA SER A 63 -2.000 1.072 -13.633 1.00 33.22 H new ATOM 0 HB2 SER A 63 -4.720 1.444 -14.927 1.00 40.33 H new ATOM 0 HB3 SER A 63 -4.420 0.108 -13.833 1.00 40.33 H new ATOM 0 HG SER A 63 -5.242 1.976 -12.733 1.00 33.31 H new ATOM 967 N LEU A 64 -2.608 -1.316 -14.760 1.00 21.22 N ATOM 968 CA LEU A 64 -2.381 -2.586 -15.441 1.00 74.34 C ATOM 969 C LEU A 64 -3.615 -3.479 -15.353 1.00 50.34 C ATOM 970 O LEU A 64 -4.128 -3.742 -14.265 1.00 41.10 O ATOM 971 CB LEU A 64 -1.175 -3.305 -14.837 1.00 11.14 C ATOM 972 CG LEU A 64 -1.091 -4.810 -15.093 1.00 51.42 C ATOM 973 CD1 LEU A 64 -1.055 -5.096 -16.586 1.00 10.24 C ATOM 974 CD2 LEU A 64 0.131 -5.401 -14.405 1.00 43.21 C ATOM 0 H LEU A 64 -2.976 -1.406 -13.813 1.00 21.22 H new ATOM 0 HA LEU A 64 -2.181 -2.375 -16.491 1.00 74.34 H new ATOM 0 HB2 LEU A 64 -0.269 -2.840 -15.225 1.00 11.14 H new ATOM 0 HB3 LEU A 64 -1.182 -3.140 -13.760 1.00 11.14 H new ATOM 0 HG LEU A 64 -1.981 -5.280 -14.675 1.00 51.42 H new ATOM 0 HD11 LEU A 64 -0.995 -6.172 -16.749 1.00 10.24 H new ATOM 0 HD12 LEU A 64 -1.960 -4.708 -17.053 1.00 10.24 H new ATOM 0 HD13 LEU A 64 -0.183 -4.613 -17.028 1.00 10.24 H new ATOM 0 HD21 LEU A 64 0.174 -6.473 -14.598 1.00 43.21 H new ATOM 0 HD22 LEU A 64 1.032 -4.926 -14.792 1.00 43.21 H new ATOM 0 HD23 LEU A 64 0.063 -5.228 -13.331 1.00 43.21 H new ATOM 986 N PHE A 65 -4.088 -3.943 -16.505 1.00 23.05 N ATOM 987 CA PHE A 65 -5.261 -4.807 -16.558 1.00 51.25 C ATOM 988 C PHE A 65 -4.958 -6.089 -17.327 1.00 23.21 C ATOM 989 O PHE A 65 -4.338 -6.057 -18.391 1.00 3.04 O ATOM 990 CB PHE A 65 -6.433 -4.072 -17.212 1.00 73.41 C ATOM 991 CG PHE A 65 -7.709 -4.864 -17.215 1.00 40.24 C ATOM 992 CD1 PHE A 65 -7.924 -5.853 -18.161 1.00 1.20 C ATOM 993 CD2 PHE A 65 -8.695 -4.617 -16.274 1.00 33.20 C ATOM 994 CE1 PHE A 65 -9.098 -6.583 -18.168 1.00 15.11 C ATOM 995 CE2 PHE A 65 -9.872 -5.344 -16.274 1.00 5.44 C ATOM 996 CZ PHE A 65 -10.073 -6.327 -17.224 1.00 33.55 C ATOM 0 H PHE A 65 -3.676 -3.735 -17.415 1.00 23.05 H new ATOM 0 HA PHE A 65 -5.532 -5.072 -15.536 1.00 51.25 H new ATOM 0 HB2 PHE A 65 -6.600 -3.131 -16.688 1.00 73.41 H new ATOM 0 HB3 PHE A 65 -6.167 -3.822 -18.239 1.00 73.41 H new ATOM 0 HD1 PHE A 65 -7.165 -6.056 -18.902 1.00 1.20 H new ATOM 0 HD2 PHE A 65 -8.543 -3.848 -15.531 1.00 33.20 H new ATOM 0 HE1 PHE A 65 -9.252 -7.352 -18.910 1.00 15.11 H new ATOM 0 HE2 PHE A 65 -10.632 -5.144 -15.533 1.00 5.44 H new ATOM 0 HZ PHE A 65 -10.992 -6.895 -17.228 1.00 33.55 H new ATOM 1006 N LEU A 66 -5.398 -7.217 -16.781 1.00 25.32 N ATOM 1007 CA LEU A 66 -5.174 -8.513 -17.415 1.00 3.54 C ATOM 1008 C LEU A 66 -6.498 -9.190 -17.753 1.00 11.13 C ATOM 1009 O LEU A 66 -7.391 -9.313 -16.915 1.00 60.31 O ATOM 1010 CB LEU A 66 -4.345 -9.414 -16.498 1.00 61.41 C ATOM 1011 CG LEU A 66 -2.949 -8.904 -16.137 1.00 54.01 C ATOM 1012 CD1 LEU A 66 -2.888 -8.512 -14.668 1.00 64.31 C ATOM 1013 CD2 LEU A 66 -1.898 -9.957 -16.454 1.00 73.33 C ATOM 0 H LEU A 66 -5.912 -7.261 -15.901 1.00 25.32 H new ATOM 0 HA LEU A 66 -4.626 -8.347 -18.343 1.00 3.54 H new ATOM 0 HB2 LEU A 66 -4.903 -9.570 -15.575 1.00 61.41 H new ATOM 0 HB3 LEU A 66 -4.241 -10.388 -16.976 1.00 61.41 H new ATOM 0 HG LEU A 66 -2.740 -8.019 -16.737 1.00 54.01 H new ATOM 0 HD11 LEU A 66 -1.888 -8.152 -14.429 1.00 64.31 H new ATOM 0 HD12 LEU A 66 -3.614 -7.724 -14.471 1.00 64.31 H new ATOM 0 HD13 LEU A 66 -3.118 -9.380 -14.050 1.00 64.31 H new ATOM 0 HD21 LEU A 66 -0.911 -9.577 -16.191 1.00 73.33 H new ATOM 0 HD22 LEU A 66 -2.104 -10.861 -15.880 1.00 73.33 H new ATOM 0 HD23 LEU A 66 -1.925 -10.189 -17.519 1.00 73.33 H new ATOM 1025 N PRO A 67 -6.627 -9.643 -19.008 1.00 73.32 N ATOM 1026 CA PRO A 67 -7.838 -10.318 -19.485 1.00 30.40 C ATOM 1027 C PRO A 67 -8.013 -11.700 -18.864 1.00 30.41 C ATOM 1028 O PRO A 67 -9.136 -12.150 -18.634 1.00 2.11 O ATOM 1029 CB PRO A 67 -7.608 -10.435 -20.994 1.00 71.34 C ATOM 1030 CG PRO A 67 -6.128 -10.419 -21.154 1.00 41.24 C ATOM 1031 CD PRO A 67 -5.603 -9.531 -20.060 1.00 30.02 C ATOM 0 HA PRO A 67 -8.742 -9.770 -19.219 1.00 30.40 H new ATOM 0 HB2 PRO A 67 -8.039 -11.355 -21.390 1.00 71.34 H new ATOM 0 HB3 PRO A 67 -8.073 -9.608 -21.531 1.00 71.34 H new ATOM 0 HG2 PRO A 67 -5.716 -11.425 -21.072 1.00 41.24 H new ATOM 0 HG3 PRO A 67 -5.846 -10.038 -22.135 1.00 41.24 H new ATOM 0 HD2 PRO A 67 -4.627 -9.863 -19.707 1.00 30.02 H new ATOM 0 HD3 PRO A 67 -5.486 -8.502 -20.399 1.00 30.02 H new ATOM 1039 N ALA A 68 -6.897 -12.369 -18.595 1.00 42.14 N ATOM 1040 CA ALA A 68 -6.927 -13.698 -17.999 1.00 71.55 C ATOM 1041 C ALA A 68 -5.540 -14.121 -17.529 1.00 21.34 C ATOM 1042 O ALA A 68 -4.697 -14.524 -18.332 1.00 31.01 O ATOM 1043 CB ALA A 68 -7.482 -14.710 -18.991 1.00 45.10 C ATOM 0 H ALA A 68 -5.960 -12.012 -18.781 1.00 42.14 H new ATOM 0 HA ALA A 68 -7.582 -13.663 -17.128 1.00 71.55 H new ATOM 0 HB1 ALA A 68 -7.498 -15.698 -18.532 1.00 45.10 H new ATOM 0 HB2 ALA A 68 -8.495 -14.424 -19.274 1.00 45.10 H new ATOM 0 HB3 ALA A 68 -6.850 -14.733 -19.879 1.00 45.10 H new ATOM 1049 N VAL A 69 -5.307 -14.027 -16.223 1.00 73.44 N ATOM 1050 CA VAL A 69 -4.022 -14.401 -15.647 1.00 33.30 C ATOM 1051 C VAL A 69 -3.842 -15.915 -15.638 1.00 11.40 C ATOM 1052 O VAL A 69 -4.594 -16.636 -14.983 1.00 42.41 O ATOM 1053 CB VAL A 69 -3.877 -13.869 -14.208 1.00 0.24 C ATOM 1054 CG1 VAL A 69 -3.761 -12.352 -14.209 1.00 31.34 C ATOM 1055 CG2 VAL A 69 -5.050 -14.322 -13.352 1.00 2.44 C ATOM 0 H VAL A 69 -5.992 -13.695 -15.545 1.00 73.44 H new ATOM 0 HA VAL A 69 -3.252 -13.951 -16.273 1.00 33.30 H new ATOM 0 HB VAL A 69 -2.963 -14.279 -13.778 1.00 0.24 H new ATOM 0 HG11 VAL A 69 -3.659 -11.994 -13.184 1.00 31.34 H new ATOM 0 HG12 VAL A 69 -2.885 -12.054 -14.786 1.00 31.34 H new ATOM 0 HG13 VAL A 69 -4.655 -11.919 -14.657 1.00 31.34 H new ATOM 0 HG21 VAL A 69 -4.931 -13.937 -12.339 1.00 2.44 H new ATOM 0 HG22 VAL A 69 -5.979 -13.943 -13.778 1.00 2.44 H new ATOM 0 HG23 VAL A 69 -5.082 -15.411 -13.325 1.00 2.44 H new ATOM 1065 N GLY A 70 -2.840 -16.391 -16.369 1.00 3.22 N ATOM 1066 CA GLY A 70 -2.578 -17.817 -16.432 1.00 54.04 C ATOM 1067 C GLY A 70 -1.635 -18.282 -15.340 1.00 30.21 C ATOM 1068 O GLY A 70 -0.931 -17.474 -14.733 1.00 25.50 O ATOM 0 H GLY A 70 -2.204 -15.814 -16.920 1.00 3.22 H new ATOM 0 HA2 GLY A 70 -3.519 -18.360 -16.350 1.00 54.04 H new ATOM 0 HA3 GLY A 70 -2.152 -18.062 -17.405 1.00 54.04 H new ATOM 1072 N ILE A 71 -1.622 -19.586 -15.087 1.00 70.33 N ATOM 1073 CA ILE A 71 -0.759 -20.157 -14.060 1.00 70.00 C ATOM 1074 C ILE A 71 0.698 -19.771 -14.291 1.00 71.24 C ATOM 1075 O ILE A 71 1.474 -19.648 -13.343 1.00 43.01 O ATOM 1076 CB ILE A 71 -0.872 -21.693 -14.020 1.00 53.21 C ATOM 1077 CG1 ILE A 71 -0.736 -22.197 -12.581 1.00 60.20 C ATOM 1078 CG2 ILE A 71 0.186 -22.325 -14.911 1.00 61.05 C ATOM 1079 CD1 ILE A 71 0.057 -23.480 -12.463 1.00 62.14 C ATOM 0 H ILE A 71 -2.200 -20.268 -15.579 1.00 70.33 H new ATOM 0 HA ILE A 71 -1.093 -19.752 -13.105 1.00 70.00 H new ATOM 0 HB ILE A 71 -1.854 -21.982 -14.396 1.00 53.21 H new ATOM 0 HG12 ILE A 71 -0.256 -21.426 -11.978 1.00 60.20 H new ATOM 0 HG13 ILE A 71 -1.731 -22.354 -12.164 1.00 60.20 H new ATOM 0 HG21 ILE A 71 0.093 -23.410 -14.872 1.00 61.05 H new ATOM 0 HG22 ILE A 71 0.047 -21.985 -15.937 1.00 61.05 H new ATOM 0 HG23 ILE A 71 1.177 -22.033 -14.563 1.00 61.05 H new ATOM 0 HD11 ILE A 71 0.113 -23.778 -11.416 1.00 62.14 H new ATOM 0 HD12 ILE A 71 -0.434 -24.265 -13.038 1.00 62.14 H new ATOM 0 HD13 ILE A 71 1.064 -23.322 -12.850 1.00 62.14 H new ATOM 1091 N GLN A 72 1.061 -19.581 -15.555 1.00 71.02 N ATOM 1092 CA GLN A 72 2.426 -19.207 -15.909 1.00 62.33 C ATOM 1093 C GLN A 72 2.687 -17.738 -15.595 1.00 61.52 C ATOM 1094 O GLN A 72 3.834 -17.325 -15.421 1.00 73.03 O ATOM 1095 CB GLN A 72 2.681 -19.478 -17.393 1.00 3.52 C ATOM 1096 CG GLN A 72 1.717 -18.753 -18.319 1.00 21.14 C ATOM 1097 CD GLN A 72 2.223 -18.680 -19.746 1.00 64.41 C ATOM 1098 OE1 GLN A 72 2.198 -17.621 -20.373 1.00 73.13 O ATOM 1099 NE2 GLN A 72 2.686 -19.810 -20.268 1.00 64.00 N ATOM 0 H GLN A 72 0.430 -19.680 -16.351 1.00 71.02 H new ATOM 0 HA GLN A 72 3.109 -19.813 -15.313 1.00 62.33 H new ATOM 0 HB2 GLN A 72 3.700 -19.180 -17.638 1.00 3.52 H new ATOM 0 HB3 GLN A 72 2.610 -20.550 -17.575 1.00 3.52 H new ATOM 0 HG2 GLN A 72 0.753 -19.262 -18.305 1.00 21.14 H new ATOM 0 HG3 GLN A 72 1.550 -17.743 -17.945 1.00 21.14 H new ATOM 0 HE21 GLN A 72 2.688 -20.665 -19.712 1.00 64.00 H new ATOM 0 HE22 GLN A 72 3.040 -19.823 -21.225 1.00 64.00 H new ATOM 1108 N ASP A 73 1.617 -16.954 -15.525 1.00 53.43 N ATOM 1109 CA ASP A 73 1.730 -15.530 -15.232 1.00 53.30 C ATOM 1110 C ASP A 73 1.893 -15.295 -13.733 1.00 22.40 C ATOM 1111 O ASP A 73 2.094 -14.165 -13.291 1.00 0.34 O ATOM 1112 CB ASP A 73 0.500 -14.782 -15.746 1.00 42.44 C ATOM 1113 CG ASP A 73 0.747 -14.113 -17.084 1.00 43.41 C ATOM 1114 OD1 ASP A 73 1.170 -14.813 -18.028 1.00 62.04 O ATOM 1115 OD2 ASP A 73 0.519 -12.889 -17.188 1.00 24.40 O ATOM 0 H ASP A 73 0.661 -17.281 -15.667 1.00 53.43 H new ATOM 0 HA ASP A 73 2.616 -15.149 -15.740 1.00 53.30 H new ATOM 0 HB2 ASP A 73 -0.333 -15.479 -15.840 1.00 42.44 H new ATOM 0 HB3 ASP A 73 0.205 -14.029 -15.015 1.00 42.44 H new ATOM 1120 N GLU A 74 1.803 -16.372 -12.958 1.00 10.53 N ATOM 1121 CA GLU A 74 1.940 -16.281 -11.509 1.00 54.04 C ATOM 1122 C GLU A 74 3.353 -15.857 -11.121 1.00 15.14 C ATOM 1123 O GLU A 74 4.331 -16.287 -11.729 1.00 22.22 O ATOM 1124 CB GLU A 74 1.601 -17.624 -10.858 1.00 51.22 C ATOM 1125 CG GLU A 74 2.726 -18.641 -10.941 1.00 22.42 C ATOM 1126 CD GLU A 74 2.365 -19.964 -10.294 1.00 60.55 C ATOM 1127 OE1 GLU A 74 2.603 -20.114 -9.077 1.00 25.51 O ATOM 1128 OE2 GLU A 74 1.845 -20.850 -11.005 1.00 13.00 O ATOM 0 H GLU A 74 1.636 -17.315 -13.309 1.00 10.53 H new ATOM 0 HA GLU A 74 1.242 -15.525 -11.150 1.00 54.04 H new ATOM 0 HB2 GLU A 74 1.350 -17.457 -9.811 1.00 51.22 H new ATOM 0 HB3 GLU A 74 0.713 -18.037 -11.337 1.00 51.22 H new ATOM 0 HG2 GLU A 74 2.981 -18.810 -11.987 1.00 22.42 H new ATOM 0 HG3 GLU A 74 3.614 -18.235 -10.458 1.00 22.42 H new ATOM 1135 N GLY A 75 3.451 -15.009 -10.100 1.00 31.11 N ATOM 1136 CA GLY A 75 4.748 -14.540 -9.648 1.00 34.31 C ATOM 1137 C GLY A 75 4.664 -13.208 -8.929 1.00 72.12 C ATOM 1138 O GLY A 75 3.759 -12.986 -8.124 1.00 41.41 O ATOM 0 H GLY A 75 2.656 -14.639 -9.579 1.00 31.11 H new ATOM 0 HA2 GLY A 75 5.187 -15.282 -8.981 1.00 34.31 H new ATOM 0 HA3 GLY A 75 5.416 -14.446 -10.504 1.00 34.31 H new ATOM 1142 N ILE A 76 5.610 -12.321 -9.217 1.00 3.11 N ATOM 1143 CA ILE A 76 5.640 -11.005 -8.592 1.00 63.33 C ATOM 1144 C ILE A 76 5.642 -9.898 -9.640 1.00 62.24 C ATOM 1145 O ILE A 76 6.466 -9.895 -10.555 1.00 60.41 O ATOM 1146 CB ILE A 76 6.874 -10.840 -7.686 1.00 74.40 C ATOM 1147 CG1 ILE A 76 6.824 -11.844 -6.532 1.00 61.41 C ATOM 1148 CG2 ILE A 76 6.952 -9.417 -7.153 1.00 11.45 C ATOM 1149 CD1 ILE A 76 5.586 -11.717 -5.672 1.00 43.34 C ATOM 0 H ILE A 76 6.367 -12.490 -9.880 1.00 3.11 H new ATOM 0 HA ILE A 76 4.739 -10.925 -7.984 1.00 63.33 H new ATOM 0 HB ILE A 76 7.769 -11.037 -8.276 1.00 74.40 H new ATOM 0 HG12 ILE A 76 6.872 -12.854 -6.938 1.00 61.41 H new ATOM 0 HG13 ILE A 76 7.706 -11.710 -5.906 1.00 61.41 H new ATOM 0 HG21 ILE A 76 7.829 -9.315 -6.514 1.00 11.45 H new ATOM 0 HG22 ILE A 76 7.028 -8.720 -7.987 1.00 11.45 H new ATOM 0 HG23 ILE A 76 6.055 -9.195 -6.575 1.00 11.45 H new ATOM 0 HD11 ILE A 76 5.619 -12.460 -4.875 1.00 43.34 H new ATOM 0 HD12 ILE A 76 5.546 -10.719 -5.236 1.00 43.34 H new ATOM 0 HD13 ILE A 76 4.699 -11.881 -6.284 1.00 43.34 H new ATOM 1161 N PHE A 77 4.713 -8.957 -9.502 1.00 31.30 N ATOM 1162 CA PHE A 77 4.608 -7.843 -10.437 1.00 74.44 C ATOM 1163 C PHE A 77 5.150 -6.559 -9.816 1.00 40.03 C ATOM 1164 O PHE A 77 4.851 -6.239 -8.666 1.00 1.32 O ATOM 1165 CB PHE A 77 3.151 -7.642 -10.861 1.00 21.11 C ATOM 1166 CG PHE A 77 2.591 -8.794 -11.644 1.00 50.03 C ATOM 1167 CD1 PHE A 77 2.361 -10.017 -11.035 1.00 21.32 C ATOM 1168 CD2 PHE A 77 2.293 -8.654 -12.990 1.00 44.21 C ATOM 1169 CE1 PHE A 77 1.845 -11.080 -11.753 1.00 4.33 C ATOM 1170 CE2 PHE A 77 1.776 -9.713 -13.713 1.00 5.12 C ATOM 1171 CZ PHE A 77 1.553 -10.927 -13.095 1.00 2.13 C ATOM 0 H PHE A 77 4.022 -8.944 -8.752 1.00 31.30 H new ATOM 0 HA PHE A 77 5.206 -8.081 -11.316 1.00 74.44 H new ATOM 0 HB2 PHE A 77 2.540 -7.486 -9.972 1.00 21.11 H new ATOM 0 HB3 PHE A 77 3.077 -6.735 -11.461 1.00 21.11 H new ATOM 0 HD1 PHE A 77 2.588 -10.142 -9.986 1.00 21.32 H new ATOM 0 HD2 PHE A 77 2.467 -7.707 -13.480 1.00 44.21 H new ATOM 0 HE1 PHE A 77 1.671 -12.028 -11.266 1.00 4.33 H new ATOM 0 HE2 PHE A 77 1.547 -9.590 -14.761 1.00 5.12 H new ATOM 0 HZ PHE A 77 1.151 -11.756 -13.659 1.00 2.13 H new ATOM 1181 N ARG A 78 5.951 -5.829 -10.585 1.00 62.44 N ATOM 1182 CA ARG A 78 6.537 -4.581 -10.112 1.00 50.12 C ATOM 1183 C ARG A 78 6.277 -3.448 -11.100 1.00 61.43 C ATOM 1184 O ARG A 78 6.255 -3.661 -12.313 1.00 41.35 O ATOM 1185 CB ARG A 78 8.042 -4.749 -9.898 1.00 20.04 C ATOM 1186 CG ARG A 78 8.413 -6.019 -9.149 1.00 42.00 C ATOM 1187 CD ARG A 78 8.654 -7.178 -10.103 1.00 22.33 C ATOM 1188 NE ARG A 78 9.474 -8.225 -9.496 1.00 40.55 N ATOM 1189 CZ ARG A 78 10.798 -8.169 -9.418 1.00 2.21 C ATOM 1190 NH1 ARG A 78 11.451 -7.122 -9.906 1.00 33.31 N ATOM 1191 NH2 ARG A 78 11.473 -9.160 -8.852 1.00 72.41 N ATOM 0 H ARG A 78 6.209 -6.081 -11.539 1.00 62.44 H new ATOM 0 HA ARG A 78 6.067 -4.326 -9.162 1.00 50.12 H new ATOM 0 HB2 ARG A 78 8.540 -4.750 -10.867 1.00 20.04 H new ATOM 0 HB3 ARG A 78 8.420 -3.888 -9.346 1.00 20.04 H new ATOM 0 HG2 ARG A 78 9.309 -5.843 -8.554 1.00 42.00 H new ATOM 0 HG3 ARG A 78 7.615 -6.279 -8.453 1.00 42.00 H new ATOM 0 HD2 ARG A 78 7.697 -7.600 -10.411 1.00 22.33 H new ATOM 0 HD3 ARG A 78 9.145 -6.810 -11.004 1.00 22.33 H new ATOM 0 HE ARG A 78 9.003 -9.044 -9.111 1.00 40.55 H new ATOM 0 HH11 ARG A 78 10.936 -6.358 -10.342 1.00 33.31 H new ATOM 0 HH12 ARG A 78 12.468 -7.082 -9.845 1.00 33.31 H new ATOM 0 HH21 ARG A 78 10.975 -9.967 -8.476 1.00 72.41 H new ATOM 0 HH22 ARG A 78 12.490 -9.116 -8.793 1.00 72.41 H new ATOM 1205 N CYS A 79 6.078 -2.245 -10.574 1.00 52.33 N ATOM 1206 CA CYS A 79 5.817 -1.078 -11.408 1.00 4.25 C ATOM 1207 C CYS A 79 6.782 0.057 -11.073 1.00 72.40 C ATOM 1208 O CYS A 79 7.314 0.125 -9.965 1.00 74.23 O ATOM 1209 CB CYS A 79 4.374 -0.606 -11.225 1.00 12.30 C ATOM 1210 SG CYS A 79 4.221 1.030 -10.438 1.00 51.12 S ATOM 0 H CYS A 79 6.092 -2.052 -9.572 1.00 52.33 H new ATOM 0 HA CYS A 79 5.968 -1.365 -12.449 1.00 4.25 H new ATOM 0 HB2 CYS A 79 3.887 -0.576 -12.199 1.00 12.30 H new ATOM 0 HB3 CYS A 79 3.837 -1.339 -10.623 1.00 12.30 H new ATOM 1215 N GLN A 80 7.002 0.944 -12.038 1.00 71.23 N ATOM 1216 CA GLN A 80 7.902 2.075 -11.845 1.00 54.22 C ATOM 1217 C GLN A 80 7.346 3.332 -12.506 1.00 61.31 C ATOM 1218 O GLN A 80 6.952 3.310 -13.671 1.00 25.25 O ATOM 1219 CB GLN A 80 9.285 1.755 -12.413 1.00 62.32 C ATOM 1220 CG GLN A 80 9.941 2.932 -13.116 1.00 41.23 C ATOM 1221 CD GLN A 80 11.359 2.631 -13.560 1.00 10.12 C ATOM 1222 OE1 GLN A 80 11.673 2.679 -14.750 1.00 51.51 O ATOM 1223 NE2 GLN A 80 12.225 2.317 -12.604 1.00 21.23 N ATOM 0 H GLN A 80 6.570 0.901 -12.961 1.00 71.23 H new ATOM 0 HA GLN A 80 7.990 2.259 -10.774 1.00 54.22 H new ATOM 0 HB2 GLN A 80 9.933 1.419 -11.603 1.00 62.32 H new ATOM 0 HB3 GLN A 80 9.197 0.926 -13.115 1.00 62.32 H new ATOM 0 HG2 GLN A 80 9.344 3.210 -13.984 1.00 41.23 H new ATOM 0 HG3 GLN A 80 9.949 3.792 -12.446 1.00 41.23 H new ATOM 0 HE21 GLN A 80 11.922 2.289 -11.630 1.00 21.23 H new ATOM 0 HE22 GLN A 80 13.193 2.104 -12.843 1.00 21.23 H new ATOM 1232 N ALA A 81 7.315 4.426 -11.752 1.00 4.54 N ATOM 1233 CA ALA A 81 6.810 5.693 -12.266 1.00 54.42 C ATOM 1234 C ALA A 81 7.773 6.835 -11.958 1.00 61.02 C ATOM 1235 O ALA A 81 8.635 6.714 -11.089 1.00 11.12 O ATOM 1236 CB ALA A 81 5.435 5.988 -11.682 1.00 62.03 C ATOM 0 H ALA A 81 7.634 4.460 -10.784 1.00 4.54 H new ATOM 0 HA ALA A 81 6.724 5.608 -13.349 1.00 54.42 H new ATOM 0 HB1 ALA A 81 5.069 6.937 -12.074 1.00 62.03 H new ATOM 0 HB2 ALA A 81 4.744 5.191 -11.957 1.00 62.03 H new ATOM 0 HB3 ALA A 81 5.506 6.047 -10.596 1.00 62.03 H new ATOM 1242 N MET A 82 7.620 7.942 -12.677 1.00 34.22 N ATOM 1243 CA MET A 82 8.477 9.106 -12.480 1.00 21.33 C ATOM 1244 C MET A 82 7.644 10.374 -12.323 1.00 45.24 C ATOM 1245 O MET A 82 6.818 10.694 -13.176 1.00 63.21 O ATOM 1246 CB MET A 82 9.444 9.258 -13.654 1.00 1.11 C ATOM 1247 CG MET A 82 10.415 10.417 -13.496 1.00 41.42 C ATOM 1248 SD MET A 82 11.809 10.014 -12.425 1.00 53.53 S ATOM 1249 CE MET A 82 12.542 8.649 -13.323 1.00 20.13 C ATOM 0 H MET A 82 6.911 8.058 -13.401 1.00 34.22 H new ATOM 0 HA MET A 82 9.050 8.954 -11.565 1.00 21.33 H new ATOM 0 HB2 MET A 82 10.010 8.334 -13.770 1.00 1.11 H new ATOM 0 HB3 MET A 82 8.871 9.397 -14.570 1.00 1.11 H new ATOM 0 HG2 MET A 82 10.788 10.709 -14.477 1.00 41.42 H new ATOM 0 HG3 MET A 82 9.885 11.277 -13.087 1.00 41.42 H new ATOM 0 HE1 MET A 82 13.592 8.553 -13.046 1.00 20.13 H new ATOM 0 HE2 MET A 82 12.016 7.727 -13.076 1.00 20.13 H new ATOM 0 HE3 MET A 82 12.465 8.835 -14.394 1.00 20.13 H new ATOM 1259 N ASN A 83 7.868 11.092 -11.228 1.00 41.41 N ATOM 1260 CA ASN A 83 7.137 12.326 -10.960 1.00 21.23 C ATOM 1261 C ASN A 83 7.833 13.521 -11.605 1.00 15.33 C ATOM 1262 O ASN A 83 8.933 13.396 -12.142 1.00 5.53 O ATOM 1263 CB ASN A 83 7.009 12.550 -9.452 1.00 20.21 C ATOM 1264 CG ASN A 83 6.602 11.289 -8.713 1.00 4.12 C ATOM 1265 OD1 ASN A 83 7.383 10.728 -7.943 1.00 64.12 O ATOM 1266 ND2 ASN A 83 5.376 10.837 -8.945 1.00 62.25 N ATOM 0 H ASN A 83 8.549 10.841 -10.512 1.00 41.41 H new ATOM 0 HA ASN A 83 6.141 12.230 -11.393 1.00 21.23 H new ATOM 0 HB2 ASN A 83 7.960 12.908 -9.058 1.00 20.21 H new ATOM 0 HB3 ASN A 83 6.273 13.332 -9.265 1.00 20.21 H new ATOM 0 HD21 ASN A 83 5.047 9.992 -8.477 1.00 62.25 H new ATOM 0 HD22 ASN A 83 4.763 11.334 -9.591 1.00 62.25 H new ATOM 1273 N ARG A 84 7.183 14.678 -11.547 1.00 52.22 N ATOM 1274 CA ARG A 84 7.738 15.897 -12.126 1.00 34.43 C ATOM 1275 C ARG A 84 8.930 16.390 -11.312 1.00 11.34 C ATOM 1276 O ARG A 84 9.746 17.171 -11.800 1.00 13.40 O ATOM 1277 CB ARG A 84 6.668 16.987 -12.194 1.00 50.44 C ATOM 1278 CG ARG A 84 6.161 17.431 -10.832 1.00 23.53 C ATOM 1279 CD ARG A 84 4.845 18.183 -10.945 1.00 54.44 C ATOM 1280 NE ARG A 84 4.506 18.884 -9.709 1.00 12.43 N ATOM 1281 CZ ARG A 84 3.317 19.426 -9.473 1.00 44.25 C ATOM 1282 NH1 ARG A 84 2.358 19.348 -10.385 1.00 55.44 N ATOM 1283 NH2 ARG A 84 3.086 20.048 -8.324 1.00 32.20 N ATOM 0 H ARG A 84 6.272 14.798 -11.105 1.00 52.22 H new ATOM 0 HA ARG A 84 8.078 15.668 -13.136 1.00 34.43 H new ATOM 0 HB2 ARG A 84 7.075 17.851 -12.720 1.00 50.44 H new ATOM 0 HB3 ARG A 84 5.827 16.622 -12.784 1.00 50.44 H new ATOM 0 HG2 ARG A 84 6.029 16.560 -10.190 1.00 23.53 H new ATOM 0 HG3 ARG A 84 6.906 18.069 -10.356 1.00 23.53 H new ATOM 0 HD2 ARG A 84 4.907 18.901 -11.763 1.00 54.44 H new ATOM 0 HD3 ARG A 84 4.048 17.483 -11.195 1.00 54.44 H new ATOM 0 HE ARG A 84 5.222 18.961 -8.987 1.00 12.43 H new ATOM 0 HH11 ARG A 84 2.533 18.871 -11.270 1.00 55.44 H new ATOM 0 HH12 ARG A 84 1.445 19.765 -10.202 1.00 55.44 H new ATOM 0 HH21 ARG A 84 3.822 20.110 -7.621 1.00 32.20 H new ATOM 0 HH22 ARG A 84 2.172 20.464 -8.144 1.00 32.20 H new ATOM 1297 N ASN A 85 9.025 15.928 -10.069 1.00 52.10 N ATOM 1298 CA ASN A 85 10.118 16.323 -9.188 1.00 54.51 C ATOM 1299 C ASN A 85 11.416 15.629 -9.586 1.00 13.15 C ATOM 1300 O ASN A 85 12.506 16.082 -9.239 1.00 43.35 O ATOM 1301 CB ASN A 85 9.774 15.991 -7.734 1.00 54.33 C ATOM 1302 CG ASN A 85 8.741 16.939 -7.154 1.00 71.13 C ATOM 1303 OD1 ASN A 85 9.050 17.757 -6.287 1.00 61.43 O ATOM 1304 ND2 ASN A 85 7.506 16.831 -7.630 1.00 10.10 N ATOM 0 H ASN A 85 8.358 15.280 -9.649 1.00 52.10 H new ATOM 0 HA ASN A 85 10.258 17.400 -9.285 1.00 54.51 H new ATOM 0 HB2 ASN A 85 9.399 14.969 -7.676 1.00 54.33 H new ATOM 0 HB3 ASN A 85 10.681 16.032 -7.130 1.00 54.33 H new ATOM 0 HD21 ASN A 85 6.768 17.441 -7.277 1.00 10.10 H new ATOM 0 HD22 ASN A 85 7.295 16.139 -8.349 1.00 10.10 H new ATOM 1311 N GLY A 86 11.292 14.526 -10.316 1.00 72.44 N ATOM 1312 CA GLY A 86 12.462 13.786 -10.750 1.00 40.42 C ATOM 1313 C GLY A 86 12.637 12.483 -9.996 1.00 4.21 C ATOM 1314 O GLY A 86 13.496 11.670 -10.339 1.00 34.44 O ATOM 0 H GLY A 86 10.401 14.131 -10.615 1.00 72.44 H new ATOM 0 HA2 GLY A 86 12.381 13.577 -11.817 1.00 40.42 H new ATOM 0 HA3 GLY A 86 13.350 14.403 -10.613 1.00 40.42 H new ATOM 1318 N LYS A 87 11.824 12.285 -8.964 1.00 23.23 N ATOM 1319 CA LYS A 87 11.893 11.072 -8.159 1.00 33.41 C ATOM 1320 C LYS A 87 11.072 9.951 -8.790 1.00 10.33 C ATOM 1321 O LYS A 87 10.044 10.202 -9.417 1.00 50.43 O ATOM 1322 CB LYS A 87 11.390 11.349 -6.740 1.00 75.33 C ATOM 1323 CG LYS A 87 11.991 12.595 -6.114 1.00 53.31 C ATOM 1324 CD LYS A 87 12.200 12.423 -4.618 1.00 2.11 C ATOM 1325 CE LYS A 87 13.573 11.846 -4.311 1.00 15.13 C ATOM 1326 NZ LYS A 87 13.595 11.139 -3.000 1.00 21.24 N ATOM 0 H LYS A 87 11.110 12.949 -8.666 1.00 23.23 H new ATOM 0 HA LYS A 87 12.935 10.754 -8.115 1.00 33.41 H new ATOM 0 HB2 LYS A 87 10.305 11.451 -6.762 1.00 75.33 H new ATOM 0 HB3 LYS A 87 11.617 10.490 -6.109 1.00 75.33 H new ATOM 0 HG2 LYS A 87 12.945 12.820 -6.592 1.00 53.31 H new ATOM 0 HG3 LYS A 87 11.335 13.447 -6.295 1.00 53.31 H new ATOM 0 HD2 LYS A 87 12.089 13.387 -4.121 1.00 2.11 H new ATOM 0 HD3 LYS A 87 11.429 11.766 -4.215 1.00 2.11 H new ATOM 0 HE2 LYS A 87 13.862 11.154 -5.102 1.00 15.13 H new ATOM 0 HE3 LYS A 87 14.311 12.648 -4.304 1.00 15.13 H new ATOM 0 HZ1 LYS A 87 14.548 10.760 -2.826 1.00 21.24 H new ATOM 0 HZ2 LYS A 87 13.344 11.805 -2.242 1.00 21.24 H new ATOM 0 HZ3 LYS A 87 12.909 10.358 -3.015 1.00 21.24 H new ATOM 1340 N GLU A 88 11.533 8.717 -8.618 1.00 32.12 N ATOM 1341 CA GLU A 88 10.840 7.559 -9.171 1.00 45.14 C ATOM 1342 C GLU A 88 10.103 6.792 -8.078 1.00 14.31 C ATOM 1343 O GLU A 88 10.608 6.633 -6.966 1.00 24.44 O ATOM 1344 CB GLU A 88 11.832 6.633 -9.878 1.00 31.21 C ATOM 1345 CG GLU A 88 11.248 5.278 -10.239 1.00 64.41 C ATOM 1346 CD GLU A 88 11.740 4.170 -9.328 1.00 72.54 C ATOM 1347 OE1 GLU A 88 12.104 4.470 -8.173 1.00 11.22 O ATOM 1348 OE2 GLU A 88 11.759 3.002 -9.770 1.00 5.12 O ATOM 0 H GLU A 88 12.383 8.493 -8.100 1.00 32.12 H new ATOM 0 HA GLU A 88 10.109 7.918 -9.895 1.00 45.14 H new ATOM 0 HB2 GLU A 88 12.187 7.120 -10.786 1.00 31.21 H new ATOM 0 HB3 GLU A 88 12.700 6.486 -9.235 1.00 31.21 H new ATOM 0 HG2 GLU A 88 10.160 5.330 -10.187 1.00 64.41 H new ATOM 0 HG3 GLU A 88 11.507 5.038 -11.270 1.00 64.41 H new ATOM 1355 N THR A 89 8.902 6.320 -8.400 1.00 24.33 N ATOM 1356 CA THR A 89 8.094 5.572 -7.446 1.00 74.30 C ATOM 1357 C THR A 89 8.095 4.083 -7.773 1.00 73.10 C ATOM 1358 O THR A 89 7.840 3.686 -8.911 1.00 1.42 O ATOM 1359 CB THR A 89 6.640 6.080 -7.423 1.00 34.25 C ATOM 1360 OG1 THR A 89 6.535 7.300 -8.164 1.00 15.12 O ATOM 1361 CG2 THR A 89 6.169 6.307 -5.994 1.00 10.01 C ATOM 0 H THR A 89 8.468 6.443 -9.315 1.00 24.33 H new ATOM 0 HA THR A 89 8.541 5.725 -6.464 1.00 74.30 H new ATOM 0 HB THR A 89 6.006 5.321 -7.882 1.00 34.25 H new ATOM 0 HG1 THR A 89 6.067 7.971 -7.625 1.00 15.12 H new ATOM 0 HG21 THR A 89 5.140 6.666 -6.003 1.00 10.01 H new ATOM 0 HG22 THR A 89 6.222 5.370 -5.440 1.00 10.01 H new ATOM 0 HG23 THR A 89 6.807 7.049 -5.514 1.00 10.01 H new ATOM 1369 N LYS A 90 8.381 3.262 -6.768 1.00 25.42 N ATOM 1370 CA LYS A 90 8.413 1.815 -6.948 1.00 72.11 C ATOM 1371 C LYS A 90 7.200 1.159 -6.296 1.00 64.34 C ATOM 1372 O LYS A 90 6.735 1.598 -5.245 1.00 22.11 O ATOM 1373 CB LYS A 90 9.700 1.235 -6.355 1.00 64.13 C ATOM 1374 CG LYS A 90 10.963 1.758 -7.017 1.00 10.01 C ATOM 1375 CD LYS A 90 11.826 2.535 -6.036 1.00 70.34 C ATOM 1376 CE LYS A 90 11.115 3.783 -5.536 1.00 44.42 C ATOM 1377 NZ LYS A 90 12.069 4.769 -4.957 1.00 52.14 N ATOM 0 H LYS A 90 8.594 3.574 -5.820 1.00 25.42 H new ATOM 0 HA LYS A 90 8.386 1.606 -8.017 1.00 72.11 H new ATOM 0 HB2 LYS A 90 9.736 1.465 -5.290 1.00 64.13 H new ATOM 0 HB3 LYS A 90 9.675 0.149 -6.446 1.00 64.13 H new ATOM 0 HG2 LYS A 90 11.534 0.923 -7.424 1.00 10.01 H new ATOM 0 HG3 LYS A 90 10.696 2.400 -7.856 1.00 10.01 H new ATOM 0 HD2 LYS A 90 12.082 1.897 -5.190 1.00 70.34 H new ATOM 0 HD3 LYS A 90 12.763 2.817 -6.517 1.00 70.34 H new ATOM 0 HE2 LYS A 90 10.570 4.245 -6.359 1.00 44.42 H new ATOM 0 HE3 LYS A 90 10.378 3.504 -4.782 1.00 44.42 H new ATOM 0 HZ1 LYS A 90 11.913 4.842 -3.931 1.00 52.14 H new ATOM 0 HZ2 LYS A 90 13.044 4.456 -5.138 1.00 52.14 H new ATOM 0 HZ3 LYS A 90 11.917 5.699 -5.397 1.00 52.14 H new ATOM 1391 N SER A 91 6.694 0.104 -6.927 1.00 52.45 N ATOM 1392 CA SER A 91 5.533 -0.611 -6.409 1.00 54.13 C ATOM 1393 C SER A 91 5.643 -2.105 -6.696 1.00 50.21 C ATOM 1394 O SER A 91 5.832 -2.517 -7.839 1.00 40.21 O ATOM 1395 CB SER A 91 4.247 -0.055 -7.026 1.00 24.23 C ATOM 1396 OG SER A 91 4.233 1.361 -6.985 1.00 20.12 O ATOM 0 H SER A 91 7.069 -0.274 -7.797 1.00 52.45 H new ATOM 0 HA SER A 91 5.501 -0.467 -5.329 1.00 54.13 H new ATOM 0 HB2 SER A 91 4.160 -0.393 -8.059 1.00 24.23 H new ATOM 0 HB3 SER A 91 3.383 -0.446 -6.488 1.00 24.23 H new ATOM 0 HG SER A 91 4.227 1.715 -7.899 1.00 20.12 H new ATOM 1402 N ASN A 92 5.524 -2.913 -5.646 1.00 5.23 N ATOM 1403 CA ASN A 92 5.611 -4.362 -5.784 1.00 4.22 C ATOM 1404 C ASN A 92 4.320 -5.031 -5.322 1.00 45.22 C ATOM 1405 O ASN A 92 3.878 -4.834 -4.190 1.00 64.44 O ATOM 1406 CB ASN A 92 6.795 -4.901 -4.977 1.00 44.01 C ATOM 1407 CG ASN A 92 6.532 -6.288 -4.422 1.00 63.31 C ATOM 1408 OD1 ASN A 92 6.662 -6.522 -3.221 1.00 44.10 O ATOM 1409 ND2 ASN A 92 6.161 -7.215 -5.298 1.00 40.34 N ATOM 0 H ASN A 92 5.367 -2.589 -4.692 1.00 5.23 H new ATOM 0 HA ASN A 92 5.762 -4.594 -6.838 1.00 4.22 H new ATOM 0 HB2 ASN A 92 7.681 -4.928 -5.611 1.00 44.01 H new ATOM 0 HB3 ASN A 92 7.012 -4.219 -4.155 1.00 44.01 H new ATOM 0 HD21 ASN A 92 5.971 -8.167 -4.984 1.00 40.34 H new ATOM 0 HD22 ASN A 92 6.066 -6.975 -6.285 1.00 40.34 H new ATOM 1416 N TYR A 93 3.721 -5.822 -6.206 1.00 1.45 N ATOM 1417 CA TYR A 93 2.481 -6.518 -5.891 1.00 40.13 C ATOM 1418 C TYR A 93 2.602 -8.010 -6.188 1.00 45.45 C ATOM 1419 O TYR A 93 2.862 -8.408 -7.324 1.00 2.05 O ATOM 1420 CB TYR A 93 1.320 -5.920 -6.687 1.00 73.32 C ATOM 1421 CG TYR A 93 0.723 -4.685 -6.052 1.00 71.22 C ATOM 1422 CD1 TYR A 93 1.483 -3.536 -5.869 1.00 21.44 C ATOM 1423 CD2 TYR A 93 -0.603 -4.665 -5.635 1.00 62.11 C ATOM 1424 CE1 TYR A 93 0.942 -2.406 -5.289 1.00 2.10 C ATOM 1425 CE2 TYR A 93 -1.153 -3.539 -5.055 1.00 52.30 C ATOM 1426 CZ TYR A 93 -0.376 -2.412 -4.883 1.00 50.21 C ATOM 1427 OH TYR A 93 -0.920 -1.287 -4.306 1.00 44.42 O ATOM 0 H TYR A 93 4.075 -5.996 -7.146 1.00 1.45 H new ATOM 0 HA TYR A 93 2.285 -6.394 -4.826 1.00 40.13 H new ATOM 0 HB2 TYR A 93 1.668 -5.671 -7.689 1.00 73.32 H new ATOM 0 HB3 TYR A 93 0.541 -6.674 -6.799 1.00 73.32 H new ATOM 0 HD1 TYR A 93 2.515 -3.527 -6.186 1.00 21.44 H new ATOM 0 HD2 TYR A 93 -1.214 -5.546 -5.767 1.00 62.11 H new ATOM 0 HE1 TYR A 93 1.548 -1.522 -5.154 1.00 2.10 H new ATOM 0 HE2 TYR A 93 -2.185 -3.541 -4.738 1.00 52.30 H new ATOM 0 HH TYR A 93 -1.503 -1.550 -3.564 1.00 44.42 H new ATOM 1437 N ARG A 94 2.411 -8.829 -5.161 1.00 35.13 N ATOM 1438 CA ARG A 94 2.499 -10.277 -5.311 1.00 10.35 C ATOM 1439 C ARG A 94 1.186 -10.850 -5.837 1.00 10.54 C ATOM 1440 O ARG A 94 0.111 -10.537 -5.326 1.00 73.31 O ATOM 1441 CB ARG A 94 2.853 -10.929 -3.973 1.00 34.21 C ATOM 1442 CG ARG A 94 3.975 -10.224 -3.229 1.00 60.01 C ATOM 1443 CD ARG A 94 3.463 -9.527 -1.978 1.00 12.41 C ATOM 1444 NE ARG A 94 3.607 -10.361 -0.789 1.00 33.12 N ATOM 1445 CZ ARG A 94 4.778 -10.653 -0.233 1.00 3.03 C ATOM 1446 NH1 ARG A 94 5.901 -10.180 -0.758 1.00 34.41 N ATOM 1447 NH2 ARG A 94 4.828 -11.420 0.848 1.00 33.22 N ATOM 0 H ARG A 94 2.194 -8.515 -4.215 1.00 35.13 H new ATOM 0 HA ARG A 94 3.286 -10.495 -6.033 1.00 10.35 H new ATOM 0 HB2 ARG A 94 1.965 -10.947 -3.341 1.00 34.21 H new ATOM 0 HB3 ARG A 94 3.140 -11.966 -4.149 1.00 34.21 H new ATOM 0 HG2 ARG A 94 4.742 -10.948 -2.955 1.00 60.01 H new ATOM 0 HG3 ARG A 94 4.446 -9.494 -3.887 1.00 60.01 H new ATOM 0 HD2 ARG A 94 4.008 -8.594 -1.834 1.00 12.41 H new ATOM 0 HD3 ARG A 94 2.413 -9.266 -2.113 1.00 12.41 H new ATOM 0 HE ARG A 94 2.762 -10.741 -0.361 1.00 33.12 H new ATOM 0 HH11 ARG A 94 5.866 -9.591 -1.590 1.00 34.41 H new ATOM 0 HH12 ARG A 94 6.799 -10.405 -0.330 1.00 34.41 H new ATOM 0 HH21 ARG A 94 3.967 -11.787 1.254 1.00 33.22 H new ATOM 0 HH22 ARG A 94 5.728 -11.643 1.274 1.00 33.22 H new ATOM 1461 N VAL A 95 1.283 -11.690 -6.863 1.00 34.44 N ATOM 1462 CA VAL A 95 0.103 -12.307 -7.458 1.00 4.03 C ATOM 1463 C VAL A 95 0.183 -13.828 -7.385 1.00 64.42 C ATOM 1464 O VAL A 95 1.236 -14.417 -7.632 1.00 62.34 O ATOM 1465 CB VAL A 95 -0.069 -11.883 -8.929 1.00 14.13 C ATOM 1466 CG1 VAL A 95 -1.208 -12.657 -9.577 1.00 21.33 C ATOM 1467 CG2 VAL A 95 -0.309 -10.385 -9.026 1.00 41.12 C ATOM 0 H VAL A 95 2.165 -11.959 -7.299 1.00 34.44 H new ATOM 0 HA VAL A 95 -0.758 -11.963 -6.885 1.00 4.03 H new ATOM 0 HB VAL A 95 0.850 -12.116 -9.467 1.00 14.13 H new ATOM 0 HG11 VAL A 95 -1.315 -12.345 -10.616 1.00 21.33 H new ATOM 0 HG12 VAL A 95 -0.990 -13.724 -9.540 1.00 21.33 H new ATOM 0 HG13 VAL A 95 -2.135 -12.457 -9.040 1.00 21.33 H new ATOM 0 HG21 VAL A 95 -0.428 -10.103 -10.072 1.00 41.12 H new ATOM 0 HG22 VAL A 95 -1.213 -10.125 -8.475 1.00 41.12 H new ATOM 0 HG23 VAL A 95 0.542 -9.852 -8.601 1.00 41.12 H new ATOM 1477 N ARG A 96 -0.936 -14.458 -7.045 1.00 41.22 N ATOM 1478 CA ARG A 96 -0.993 -15.911 -6.938 1.00 64.35 C ATOM 1479 C ARG A 96 -2.188 -16.466 -7.707 1.00 63.52 C ATOM 1480 O ARG A 96 -3.318 -16.009 -7.533 1.00 60.41 O ATOM 1481 CB ARG A 96 -1.077 -16.333 -5.470 1.00 71.13 C ATOM 1482 CG ARG A 96 0.171 -17.041 -4.967 1.00 44.15 C ATOM 1483 CD ARG A 96 1.375 -16.112 -4.963 1.00 51.14 C ATOM 1484 NE ARG A 96 1.068 -14.823 -4.347 1.00 33.04 N ATOM 1485 CZ ARG A 96 0.953 -14.645 -3.035 1.00 21.02 C ATOM 1486 NH1 ARG A 96 1.117 -15.667 -2.207 1.00 62.31 N ATOM 1487 NH2 ARG A 96 0.673 -13.442 -2.550 1.00 61.32 N ATOM 0 H ARG A 96 -1.816 -13.985 -6.839 1.00 41.22 H new ATOM 0 HA ARG A 96 -0.081 -16.318 -7.374 1.00 64.35 H new ATOM 0 HB2 ARG A 96 -1.256 -15.450 -4.857 1.00 71.13 H new ATOM 0 HB3 ARG A 96 -1.936 -16.991 -5.339 1.00 71.13 H new ATOM 0 HG2 ARG A 96 -0.004 -17.416 -3.959 1.00 44.15 H new ATOM 0 HG3 ARG A 96 0.379 -17.906 -5.597 1.00 44.15 H new ATOM 0 HD2 ARG A 96 2.196 -16.585 -4.425 1.00 51.14 H new ATOM 0 HD3 ARG A 96 1.714 -15.953 -5.987 1.00 51.14 H new ATOM 0 HE ARG A 96 0.935 -14.016 -4.957 1.00 33.04 H new ATOM 0 HH11 ARG A 96 1.332 -16.593 -2.576 1.00 62.31 H new ATOM 0 HH12 ARG A 96 1.028 -15.527 -1.201 1.00 62.31 H new ATOM 0 HH21 ARG A 96 0.546 -12.653 -3.184 1.00 61.32 H new ATOM 0 HH22 ARG A 96 0.585 -13.306 -1.543 1.00 61.32 H new ATOM 1501 N VAL A 97 -1.931 -17.453 -8.559 1.00 42.15 N ATOM 1502 CA VAL A 97 -2.985 -18.071 -9.356 1.00 13.45 C ATOM 1503 C VAL A 97 -3.545 -19.307 -8.660 1.00 72.13 C ATOM 1504 O VAL A 97 -3.160 -19.627 -7.536 1.00 60.20 O ATOM 1505 CB VAL A 97 -2.473 -18.469 -10.752 1.00 23.12 C ATOM 1506 CG1 VAL A 97 -1.783 -17.291 -11.424 1.00 20.42 C ATOM 1507 CG2 VAL A 97 -1.535 -19.663 -10.655 1.00 44.25 C ATOM 0 H VAL A 97 -1.001 -17.842 -8.715 1.00 42.15 H new ATOM 0 HA VAL A 97 -3.776 -17.329 -9.466 1.00 13.45 H new ATOM 0 HB VAL A 97 -3.327 -18.756 -11.365 1.00 23.12 H new ATOM 0 HG11 VAL A 97 -1.428 -17.591 -12.410 1.00 20.42 H new ATOM 0 HG12 VAL A 97 -2.489 -16.467 -11.528 1.00 20.42 H new ATOM 0 HG13 VAL A 97 -0.937 -16.970 -10.816 1.00 20.42 H new ATOM 0 HG21 VAL A 97 -1.183 -19.931 -11.651 1.00 44.25 H new ATOM 0 HG22 VAL A 97 -0.683 -19.406 -10.026 1.00 44.25 H new ATOM 0 HG23 VAL A 97 -2.066 -20.509 -10.219 1.00 44.25 H new ATOM 1517 N TYR A 98 -4.457 -19.997 -9.337 1.00 22.01 N ATOM 1518 CA TYR A 98 -5.073 -21.197 -8.784 1.00 44.41 C ATOM 1519 C TYR A 98 -4.032 -22.292 -8.567 1.00 74.20 C ATOM 1520 O TYR A 98 -3.565 -22.506 -7.449 1.00 52.34 O ATOM 1521 CB TYR A 98 -6.176 -21.704 -9.713 1.00 52.43 C ATOM 1522 CG TYR A 98 -6.756 -23.036 -9.295 1.00 40.10 C ATOM 1523 CD1 TYR A 98 -7.247 -23.229 -8.010 1.00 33.23 C ATOM 1524 CD2 TYR A 98 -6.812 -24.102 -10.184 1.00 53.25 C ATOM 1525 CE1 TYR A 98 -7.778 -24.445 -7.622 1.00 4.34 C ATOM 1526 CE2 TYR A 98 -7.342 -25.320 -9.807 1.00 31.53 C ATOM 1527 CZ TYR A 98 -7.823 -25.487 -8.524 1.00 43.23 C ATOM 1528 OH TYR A 98 -8.349 -26.700 -8.144 1.00 72.15 O ATOM 0 H TYR A 98 -4.786 -19.746 -10.269 1.00 22.01 H new ATOM 0 HA TYR A 98 -5.510 -20.939 -7.819 1.00 44.41 H new ATOM 0 HB2 TYR A 98 -6.976 -20.965 -9.750 1.00 52.43 H new ATOM 0 HB3 TYR A 98 -5.776 -21.792 -10.723 1.00 52.43 H new ATOM 0 HD1 TYR A 98 -7.213 -22.415 -7.301 1.00 33.23 H new ATOM 0 HD2 TYR A 98 -6.434 -23.976 -11.188 1.00 53.25 H new ATOM 0 HE1 TYR A 98 -8.155 -24.578 -6.619 1.00 4.34 H new ATOM 0 HE2 TYR A 98 -7.380 -26.137 -10.512 1.00 31.53 H new ATOM 0 HH TYR A 98 -8.307 -27.325 -8.897 1.00 72.15 H new ATOM 1538 N GLN A 99 -3.676 -22.982 -9.645 1.00 25.53 N ATOM 1539 CA GLN A 99 -2.692 -24.055 -9.574 1.00 32.45 C ATOM 1540 C GLN A 99 -1.303 -23.502 -9.270 1.00 13.31 C ATOM 1541 O GLN A 99 -0.942 -22.419 -9.731 1.00 72.42 O ATOM 1542 CB GLN A 99 -2.664 -24.840 -10.887 1.00 0.33 C ATOM 1543 CG GLN A 99 -1.792 -26.083 -10.835 1.00 21.02 C ATOM 1544 CD GLN A 99 -2.490 -27.258 -10.179 1.00 64.50 C ATOM 1545 OE1 GLN A 99 -2.953 -28.177 -10.857 1.00 31.21 O ATOM 1546 NE2 GLN A 99 -2.568 -27.237 -8.854 1.00 52.04 N ATOM 0 H GLN A 99 -4.054 -22.817 -10.578 1.00 25.53 H new ATOM 0 HA GLN A 99 -2.982 -24.725 -8.765 1.00 32.45 H new ATOM 0 HB2 GLN A 99 -3.681 -25.131 -11.148 1.00 0.33 H new ATOM 0 HB3 GLN A 99 -2.305 -24.188 -11.683 1.00 0.33 H new ATOM 0 HG2 GLN A 99 -1.498 -26.359 -11.848 1.00 21.02 H new ATOM 0 HG3 GLN A 99 -0.877 -25.857 -10.288 1.00 21.02 H new ATOM 0 HE21 GLN A 99 -2.171 -26.456 -8.332 1.00 52.04 H new ATOM 0 HE22 GLN A 99 -3.025 -28.002 -8.358 1.00 52.04 H new ATOM 1555 N ILE A 100 -0.531 -24.251 -8.490 1.00 61.52 N ATOM 1556 CA ILE A 100 0.817 -23.835 -8.125 1.00 4.24 C ATOM 1557 C ILE A 100 1.851 -24.863 -8.574 1.00 34.12 C ATOM 1558 O ILE A 100 1.538 -26.029 -8.818 1.00 15.43 O ATOM 1559 CB ILE A 100 0.949 -23.622 -6.606 1.00 0.21 C ATOM 1560 CG1 ILE A 100 -0.190 -24.329 -5.869 1.00 73.44 C ATOM 1561 CG2 ILE A 100 0.956 -22.136 -6.279 1.00 11.11 C ATOM 1562 CD1 ILE A 100 -0.084 -24.239 -4.362 1.00 43.53 C ATOM 0 H ILE A 100 -0.816 -25.149 -8.099 1.00 61.52 H new ATOM 0 HA ILE A 100 1.003 -22.889 -8.634 1.00 4.24 H new ATOM 0 HB ILE A 100 1.894 -24.052 -6.274 1.00 0.21 H new ATOM 0 HG12 ILE A 100 -1.139 -23.897 -6.185 1.00 73.44 H new ATOM 0 HG13 ILE A 100 -0.205 -25.379 -6.162 1.00 73.44 H new ATOM 0 HG21 ILE A 100 1.050 -22.001 -5.201 1.00 11.11 H new ATOM 0 HG22 ILE A 100 1.798 -21.657 -6.779 1.00 11.11 H new ATOM 0 HG23 ILE A 100 0.025 -21.684 -6.622 1.00 11.11 H new ATOM 0 HD11 ILE A 100 -0.925 -24.762 -3.906 1.00 43.53 H new ATOM 0 HD12 ILE A 100 0.849 -24.698 -4.035 1.00 43.53 H new ATOM 0 HD13 ILE A 100 -0.100 -23.192 -4.058 1.00 43.53 H new ATOM 1574 N PRO A 101 3.113 -24.424 -8.685 1.00 50.32 N ATOM 1575 CA PRO A 101 4.219 -25.290 -9.102 1.00 64.12 C ATOM 1576 C PRO A 101 4.571 -26.332 -8.045 1.00 52.12 C ATOM 1577 O PRO A 101 4.000 -26.342 -6.956 1.00 53.43 O ATOM 1578 CB PRO A 101 5.381 -24.314 -9.298 1.00 52.24 C ATOM 1579 CG PRO A 101 5.057 -23.159 -8.414 1.00 44.31 C ATOM 1580 CD PRO A 101 3.558 -23.047 -8.411 1.00 11.01 C ATOM 0 HA PRO A 101 3.972 -25.864 -9.995 1.00 64.12 H new ATOM 0 HB2 PRO A 101 6.332 -24.770 -9.022 1.00 52.24 H new ATOM 0 HB3 PRO A 101 5.467 -24.004 -10.339 1.00 52.24 H new ATOM 0 HG2 PRO A 101 5.438 -23.321 -7.406 1.00 44.31 H new ATOM 0 HG3 PRO A 101 5.516 -22.243 -8.785 1.00 44.31 H new ATOM 0 HD2 PRO A 101 3.184 -22.687 -7.453 1.00 11.01 H new ATOM 0 HD3 PRO A 101 3.205 -22.352 -9.173 1.00 11.01 H new