USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 381 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 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 27 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -175:sc= 1.23 (180deg=1.17) USER MOD Single : A 3 LYS NZ :NH3+ -139:sc= 0.78 (180deg=0.38) USER MOD Single : A 7 SER OG : rot 17:sc= 1.22 USER MOD Single : A 9 ASN : amide:sc= 1.62 K(o=1.6,f=-4!) USER MOD Single : A 11 ASN : amide:sc= 1.14 K(o=1.1,f=-0.29) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 72:sc= 0.77 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -162:sc= 1.63 (180deg=1.23) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0127 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 74:sc= -0.195 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.407 -3.669 2.020 1.00 10.00 N ATOM 2 CA ALA A 1 -6.452 -4.793 2.084 1.00 10.00 C ATOM 3 C ALA A 1 -5.930 -5.111 0.681 1.00 10.00 C ATOM 4 O ALA A 1 -6.715 -5.463 -0.206 1.00 10.00 O ATOM 5 CB ALA A 1 -7.083 -6.039 2.730 1.00 10.00 C ATOM 0 H1 ALA A 1 -7.694 -3.402 2.983 1.00 10.00 H new ATOM 0 H2 ALA A 1 -6.955 -2.856 1.555 1.00 10.00 H new ATOM 0 H3 ALA A 1 -8.246 -3.957 1.477 1.00 10.00 H new ATOM 0 HA ALA A 1 -5.615 -4.494 2.715 1.00 10.00 H new ATOM 0 HB1 ALA A 1 -6.349 -6.845 2.759 1.00 10.00 H new ATOM 0 HB2 ALA A 1 -7.401 -5.801 3.745 1.00 10.00 H new ATOM 0 HB3 ALA A 1 -7.946 -6.355 2.144 1.00 10.00 H new ATOM 13 N ILE A 2 -4.610 -5.007 0.481 1.00 10.00 N ATOM 14 CA ILE A 2 -3.937 -5.321 -0.780 1.00 10.00 C ATOM 15 C ILE A 2 -4.217 -6.753 -1.259 1.00 10.00 C ATOM 16 O ILE A 2 -4.670 -7.621 -0.505 1.00 10.00 O ATOM 17 CB ILE A 2 -2.410 -5.063 -0.678 1.00 10.00 C ATOM 18 CG1 ILE A 2 -1.767 -5.779 0.533 1.00 10.00 C ATOM 19 CG2 ILE A 2 -2.125 -3.551 -0.665 1.00 10.00 C ATOM 20 CD1 ILE A 2 -0.238 -5.848 0.447 1.00 10.00 C ATOM 0 H ILE A 2 -3.968 -4.695 1.210 1.00 10.00 H new ATOM 0 HA ILE A 2 -4.353 -4.649 -1.530 1.00 10.00 H new ATOM 0 HB ILE A 2 -1.943 -5.494 -1.563 1.00 10.00 H new ATOM 0 HG12 ILE A 2 -2.051 -5.259 1.448 1.00 10.00 H new ATOM 0 HG13 ILE A 2 -2.167 -6.790 0.604 1.00 10.00 H new ATOM 0 HG21 ILE A 2 -1.050 -3.384 -0.593 1.00 10.00 H new ATOM 0 HG22 ILE A 2 -2.501 -3.102 -1.584 1.00 10.00 H new ATOM 0 HG23 ILE A 2 -2.621 -3.095 0.191 1.00 10.00 H new ATOM 0 HD11 ILE A 2 0.153 -6.362 1.325 1.00 10.00 H new ATOM 0 HD12 ILE A 2 0.052 -6.393 -0.451 1.00 10.00 H new ATOM 0 HD13 ILE A 2 0.170 -4.838 0.406 1.00 10.00 H new ATOM 32 N LYS A 3 -3.893 -6.989 -2.527 1.00 10.00 N ATOM 33 CA LYS A 3 -3.908 -8.262 -3.227 1.00 10.00 C ATOM 34 C LYS A 3 -2.630 -8.313 -4.063 1.00 10.00 C ATOM 35 O LYS A 3 -2.000 -7.281 -4.317 1.00 10.00 O ATOM 36 CB LYS A 3 -5.156 -8.353 -4.134 1.00 10.00 C ATOM 37 CG LYS A 3 -6.506 -8.246 -3.399 1.00 10.00 C ATOM 38 CD LYS A 3 -6.796 -9.449 -2.485 1.00 10.00 C ATOM 39 CE LYS A 3 -7.943 -9.177 -1.500 1.00 10.00 C ATOM 40 NZ LYS A 3 -7.561 -8.219 -0.432 1.00 10.00 N ATOM 0 H LYS A 3 -3.589 -6.231 -3.138 1.00 10.00 H new ATOM 0 HA LYS A 3 -3.950 -9.099 -2.530 1.00 10.00 H new ATOM 0 HB2 LYS A 3 -5.102 -7.561 -4.880 1.00 10.00 H new ATOM 0 HB3 LYS A 3 -5.127 -9.300 -4.672 1.00 10.00 H new ATOM 0 HG2 LYS A 3 -6.516 -7.334 -2.802 1.00 10.00 H new ATOM 0 HG3 LYS A 3 -7.306 -8.155 -4.134 1.00 10.00 H new ATOM 0 HD2 LYS A 3 -7.046 -10.315 -3.098 1.00 10.00 H new ATOM 0 HD3 LYS A 3 -5.895 -9.703 -1.927 1.00 10.00 H new ATOM 0 HE2 LYS A 3 -8.801 -8.784 -2.046 1.00 10.00 H new ATOM 0 HE3 LYS A 3 -8.257 -10.116 -1.045 1.00 10.00 H new ATOM 0 HZ1 LYS A 3 -7.949 -8.540 0.478 1.00 10.00 H new ATOM 0 HZ2 LYS A 3 -6.524 -8.167 -0.367 1.00 10.00 H new ATOM 0 HZ3 LYS A 3 -7.941 -7.278 -0.658 1.00 10.00 H new ATOM 54 N LEU A 4 -2.264 -9.510 -4.514 1.00 10.00 N ATOM 55 CA LEU A 4 -1.123 -9.742 -5.391 1.00 10.00 C ATOM 56 C LEU A 4 -1.695 -10.346 -6.664 1.00 10.00 C ATOM 57 O LEU A 4 -2.570 -11.214 -6.593 1.00 10.00 O ATOM 58 CB LEU A 4 -0.104 -10.693 -4.735 1.00 10.00 C ATOM 59 CG LEU A 4 0.492 -10.192 -3.403 1.00 10.00 C ATOM 60 CD1 LEU A 4 1.472 -11.230 -2.848 1.00 10.00 C ATOM 61 CD2 LEU A 4 1.216 -8.849 -3.546 1.00 10.00 C ATOM 0 H LEU A 4 -2.765 -10.365 -4.273 1.00 10.00 H new ATOM 0 HA LEU A 4 -0.585 -8.817 -5.597 1.00 10.00 H new ATOM 0 HB2 LEU A 4 -0.587 -11.654 -4.561 1.00 10.00 H new ATOM 0 HB3 LEU A 4 0.711 -10.868 -5.437 1.00 10.00 H new ATOM 0 HG LEU A 4 -0.344 -10.047 -2.719 1.00 10.00 H new ATOM 0 HD11 LEU A 4 1.889 -10.870 -1.908 1.00 10.00 H new ATOM 0 HD12 LEU A 4 0.948 -12.170 -2.676 1.00 10.00 H new ATOM 0 HD13 LEU A 4 2.278 -11.390 -3.565 1.00 10.00 H new ATOM 0 HD21 LEU A 4 1.615 -8.546 -2.578 1.00 10.00 H new ATOM 0 HD22 LEU A 4 2.034 -8.951 -4.260 1.00 10.00 H new ATOM 0 HD23 LEU A 4 0.515 -8.094 -3.902 1.00 10.00 H new ATOM 73 N VAL A 5 -1.239 -9.871 -7.821 1.00 10.00 N ATOM 74 CA VAL A 5 -1.885 -10.141 -9.101 1.00 10.00 C ATOM 75 C VAL A 5 -0.794 -10.408 -10.138 1.00 10.00 C ATOM 76 O VAL A 5 0.282 -9.806 -10.074 1.00 10.00 O ATOM 77 CB VAL A 5 -2.788 -8.947 -9.502 1.00 10.00 C ATOM 78 CG1 VAL A 5 -3.729 -9.339 -10.652 1.00 10.00 C ATOM 79 CG2 VAL A 5 -3.663 -8.402 -8.356 1.00 10.00 C ATOM 0 H VAL A 5 -0.407 -9.285 -7.896 1.00 10.00 H new ATOM 0 HA VAL A 5 -2.529 -11.018 -9.034 1.00 10.00 H new ATOM 0 HB VAL A 5 -2.091 -8.163 -9.798 1.00 10.00 H new ATOM 0 HG11 VAL A 5 -4.354 -8.486 -10.918 1.00 10.00 H new ATOM 0 HG12 VAL A 5 -3.139 -9.641 -11.518 1.00 10.00 H new ATOM 0 HG13 VAL A 5 -4.362 -10.169 -10.337 1.00 10.00 H new ATOM 0 HG21 VAL A 5 -4.263 -7.569 -8.721 1.00 10.00 H new ATOM 0 HG22 VAL A 5 -4.321 -9.192 -7.993 1.00 10.00 H new ATOM 0 HG23 VAL A 5 -3.024 -8.059 -7.542 1.00 10.00 H new ATOM 89 N GLN A 6 -1.074 -11.309 -11.084 1.00 10.00 N ATOM 90 CA GLN A 6 -0.191 -11.694 -12.177 1.00 10.00 C ATOM 91 C GLN A 6 -1.096 -11.963 -13.381 1.00 10.00 C ATOM 92 O GLN A 6 -1.976 -12.823 -13.273 1.00 10.00 O ATOM 93 CB GLN A 6 0.599 -12.969 -11.810 1.00 10.00 C ATOM 94 CG GLN A 6 1.385 -12.881 -10.493 1.00 10.00 C ATOM 95 CD GLN A 6 2.241 -14.122 -10.228 1.00 10.00 C ATOM 96 OE1 GLN A 6 1.771 -15.256 -10.300 1.00 10.00 O ATOM 97 NE2 GLN A 6 3.509 -13.943 -9.892 1.00 10.00 N ATOM 0 H GLN A 6 -1.963 -11.809 -11.105 1.00 10.00 H new ATOM 0 HA GLN A 6 0.537 -10.911 -12.390 1.00 10.00 H new ATOM 0 HB2 GLN A 6 -0.097 -13.805 -11.747 1.00 10.00 H new ATOM 0 HB3 GLN A 6 1.295 -13.194 -12.618 1.00 10.00 H new ATOM 0 HG2 GLN A 6 2.027 -12.001 -10.517 1.00 10.00 H new ATOM 0 HG3 GLN A 6 0.687 -12.744 -9.667 1.00 10.00 H new ATOM 0 HE21 GLN A 6 3.893 -13.000 -9.834 1.00 10.00 H new ATOM 0 HE22 GLN A 6 4.102 -14.748 -9.691 1.00 10.00 H new ATOM 106 N SER A 7 -0.947 -11.230 -14.490 1.00 10.00 N ATOM 107 CA SER A 7 -1.688 -11.428 -15.746 1.00 10.00 C ATOM 108 C SER A 7 -1.047 -10.604 -16.871 1.00 10.00 C ATOM 109 O SER A 7 -0.435 -9.572 -16.595 1.00 10.00 O ATOM 110 CB SER A 7 -3.160 -11.009 -15.589 1.00 10.00 C ATOM 111 OG SER A 7 -3.858 -12.025 -14.907 1.00 10.00 O ATOM 0 H SER A 7 -0.285 -10.456 -14.542 1.00 10.00 H new ATOM 0 HA SER A 7 -1.648 -12.488 -15.996 1.00 10.00 H new ATOM 0 HB2 SER A 7 -3.227 -10.071 -15.038 1.00 10.00 H new ATOM 0 HB3 SER A 7 -3.608 -10.836 -16.567 1.00 10.00 H new ATOM 0 HG SER A 7 -3.218 -12.617 -14.459 1.00 10.00 H new ATOM 117 N PRO A 8 -1.179 -11.015 -18.145 1.00 10.00 N ATOM 118 CA PRO A 8 -0.507 -10.348 -19.258 1.00 10.00 C ATOM 119 C PRO A 8 -1.111 -8.977 -19.597 1.00 10.00 C ATOM 120 O PRO A 8 -0.394 -8.122 -20.118 1.00 10.00 O ATOM 121 CB PRO A 8 -0.607 -11.323 -20.436 1.00 10.00 C ATOM 122 CG PRO A 8 -1.867 -12.132 -20.133 1.00 10.00 C ATOM 123 CD PRO A 8 -1.854 -12.222 -18.609 1.00 10.00 C ATOM 0 HA PRO A 8 0.528 -10.122 -19.001 1.00 10.00 H new ATOM 0 HB2 PRO A 8 -0.689 -10.795 -21.386 1.00 10.00 H new ATOM 0 HB3 PRO A 8 0.273 -11.963 -20.502 1.00 10.00 H new ATOM 0 HG2 PRO A 8 -2.765 -11.635 -20.501 1.00 10.00 H new ATOM 0 HG3 PRO A 8 -1.836 -13.118 -20.597 1.00 10.00 H new ATOM 0 HD2 PRO A 8 -2.868 -12.280 -18.212 1.00 10.00 H new ATOM 0 HD3 PRO A 8 -1.329 -13.117 -18.275 1.00 10.00 H new ATOM 131 N ASN A 9 -2.403 -8.749 -19.316 1.00 10.00 N ATOM 132 CA ASN A 9 -3.068 -7.487 -19.665 1.00 10.00 C ATOM 133 C ASN A 9 -2.547 -6.300 -18.848 1.00 10.00 C ATOM 134 O ASN A 9 -2.532 -5.184 -19.367 1.00 10.00 O ATOM 135 CB ASN A 9 -4.602 -7.588 -19.561 1.00 10.00 C ATOM 136 CG ASN A 9 -5.133 -7.733 -18.137 1.00 10.00 C ATOM 137 OD1 ASN A 9 -5.133 -6.789 -17.354 1.00 10.00 O ATOM 138 ND2 ASN A 9 -5.581 -8.921 -17.767 1.00 10.00 N ATOM 0 H ASN A 9 -3.008 -9.424 -18.847 1.00 10.00 H new ATOM 0 HA ASN A 9 -2.816 -7.300 -20.709 1.00 10.00 H new ATOM 0 HB2 ASN A 9 -5.043 -6.698 -20.011 1.00 10.00 H new ATOM 0 HB3 ASN A 9 -4.938 -8.442 -20.149 1.00 10.00 H new ATOM 0 HD21 ASN A 9 -5.933 -9.061 -16.820 1.00 10.00 H new ATOM 0 HD22 ASN A 9 -5.575 -9.697 -18.429 1.00 10.00 H new ATOM 145 N GLY A 10 -2.094 -6.530 -17.606 1.00 10.00 N ATOM 146 CA GLY A 10 -1.520 -5.507 -16.733 1.00 10.00 C ATOM 147 C GLY A 10 -2.348 -4.229 -16.606 1.00 10.00 C ATOM 148 O GLY A 10 -1.752 -3.156 -16.499 1.00 10.00 O ATOM 0 H GLY A 10 -2.119 -7.454 -17.176 1.00 10.00 H new ATOM 0 HA2 GLY A 10 -1.383 -5.934 -15.739 1.00 10.00 H new ATOM 0 HA3 GLY A 10 -0.530 -5.245 -17.107 1.00 10.00 H new ATOM 152 N ASN A 11 -3.681 -4.314 -16.687 1.00 10.00 N ATOM 153 CA ASN A 11 -4.559 -3.154 -16.822 1.00 10.00 C ATOM 154 C ASN A 11 -4.432 -2.210 -15.623 1.00 10.00 C ATOM 155 O ASN A 11 -4.906 -2.524 -14.532 1.00 10.00 O ATOM 156 CB ASN A 11 -6.019 -3.600 -16.989 1.00 10.00 C ATOM 157 CG ASN A 11 -6.957 -2.397 -17.080 1.00 10.00 C ATOM 158 OD1 ASN A 11 -6.631 -1.380 -17.685 1.00 10.00 O ATOM 159 ND2 ASN A 11 -8.136 -2.480 -16.490 1.00 10.00 N ATOM 0 H ASN A 11 -4.182 -5.202 -16.660 1.00 10.00 H new ATOM 0 HA ASN A 11 -4.249 -2.610 -17.714 1.00 10.00 H new ATOM 0 HB2 ASN A 11 -6.116 -4.209 -17.888 1.00 10.00 H new ATOM 0 HB3 ASN A 11 -6.309 -4.228 -16.146 1.00 10.00 H new ATOM 0 HD21 ASN A 11 -8.785 -1.694 -16.535 1.00 10.00 H new ATOM 0 HD22 ASN A 11 -8.397 -3.330 -15.990 1.00 10.00 H new ATOM 166 N PHE A 12 -3.801 -1.050 -15.827 1.00 10.00 N ATOM 167 CA PHE A 12 -3.704 -0.010 -14.815 1.00 10.00 C ATOM 168 C PHE A 12 -5.106 0.540 -14.523 1.00 10.00 C ATOM 169 O PHE A 12 -5.739 1.118 -15.411 1.00 10.00 O ATOM 170 CB PHE A 12 -2.737 1.081 -15.297 1.00 10.00 C ATOM 171 CG PHE A 12 -2.689 2.307 -14.405 1.00 10.00 C ATOM 172 CD1 PHE A 12 -1.976 2.265 -13.193 1.00 10.00 C ATOM 173 CD2 PHE A 12 -3.355 3.489 -14.782 1.00 10.00 C ATOM 174 CE1 PHE A 12 -1.927 3.398 -12.363 1.00 10.00 C ATOM 175 CE2 PHE A 12 -3.299 4.625 -13.955 1.00 10.00 C ATOM 176 CZ PHE A 12 -2.586 4.580 -12.743 1.00 10.00 C ATOM 0 H PHE A 12 -3.343 -0.811 -16.706 1.00 10.00 H new ATOM 0 HA PHE A 12 -3.305 -0.412 -13.884 1.00 10.00 H new ATOM 0 HB2 PHE A 12 -1.735 0.657 -15.368 1.00 10.00 H new ATOM 0 HB3 PHE A 12 -3.025 1.388 -16.302 1.00 10.00 H new ATOM 0 HD1 PHE A 12 -1.465 1.360 -12.900 1.00 10.00 H new ATOM 0 HD2 PHE A 12 -3.910 3.523 -15.708 1.00 10.00 H new ATOM 0 HE1 PHE A 12 -1.382 3.360 -11.431 1.00 10.00 H new ATOM 0 HE2 PHE A 12 -3.804 5.533 -14.251 1.00 10.00 H new ATOM 0 HZ PHE A 12 -2.545 5.451 -12.106 1.00 10.00 H new ATOM 186 N ALA A 13 -5.590 0.361 -13.288 1.00 10.00 N ATOM 187 CA ALA A 13 -6.959 0.711 -12.901 1.00 10.00 C ATOM 188 C ALA A 13 -7.054 2.031 -12.117 1.00 10.00 C ATOM 189 O ALA A 13 -8.164 2.514 -11.901 1.00 10.00 O ATOM 190 CB ALA A 13 -7.558 -0.448 -12.095 1.00 10.00 C ATOM 0 H ALA A 13 -5.038 -0.033 -12.526 1.00 10.00 H new ATOM 0 HA ALA A 13 -7.530 0.873 -13.815 1.00 10.00 H new ATOM 0 HB1 ALA A 13 -8.578 -0.198 -11.801 1.00 10.00 H new ATOM 0 HB2 ALA A 13 -7.567 -1.350 -12.707 1.00 10.00 H new ATOM 0 HB3 ALA A 13 -6.956 -0.621 -11.203 1.00 10.00 H new ATOM 196 N ALA A 14 -5.914 2.617 -11.723 1.00 10.00 N ATOM 197 CA ALA A 14 -5.745 3.771 -10.834 1.00 10.00 C ATOM 198 C ALA A 14 -6.424 3.625 -9.464 1.00 10.00 C ATOM 199 O ALA A 14 -5.723 3.503 -8.458 1.00 10.00 O ATOM 200 CB ALA A 14 -6.153 5.072 -11.539 1.00 10.00 C ATOM 0 H ALA A 14 -5.013 2.265 -12.046 1.00 10.00 H new ATOM 0 HA ALA A 14 -4.679 3.816 -10.609 1.00 10.00 H new ATOM 0 HB1 ALA A 14 -6.018 5.912 -10.858 1.00 10.00 H new ATOM 0 HB2 ALA A 14 -5.531 5.217 -12.423 1.00 10.00 H new ATOM 0 HB3 ALA A 14 -7.200 5.011 -11.838 1.00 10.00 H new ATOM 206 N SER A 15 -7.755 3.633 -9.400 1.00 10.00 N ATOM 207 CA SER A 15 -8.530 3.584 -8.167 1.00 10.00 C ATOM 208 C SER A 15 -9.996 3.234 -8.456 1.00 10.00 C ATOM 209 O SER A 15 -10.455 3.341 -9.597 1.00 10.00 O ATOM 210 CB SER A 15 -8.403 4.924 -7.417 1.00 10.00 C ATOM 211 OG SER A 15 -8.567 6.045 -8.277 1.00 10.00 O ATOM 0 H SER A 15 -8.340 3.675 -10.234 1.00 10.00 H new ATOM 0 HA SER A 15 -8.132 2.796 -7.528 1.00 10.00 H new ATOM 0 HB2 SER A 15 -9.150 4.966 -6.624 1.00 10.00 H new ATOM 0 HB3 SER A 15 -7.426 4.977 -6.937 1.00 10.00 H new ATOM 0 HG SER A 15 -8.480 6.871 -7.757 1.00 10.00 H new ATOM 217 N PHE A 16 -10.730 2.806 -7.422 1.00 10.00 N ATOM 218 CA PHE A 16 -12.133 2.400 -7.483 1.00 10.00 C ATOM 219 C PHE A 16 -12.741 2.480 -6.072 1.00 10.00 C ATOM 220 O PHE A 16 -12.035 2.773 -5.103 1.00 10.00 O ATOM 221 CB PHE A 16 -12.209 0.967 -8.050 1.00 10.00 C ATOM 222 CG PHE A 16 -13.584 0.464 -8.462 1.00 10.00 C ATOM 223 CD1 PHE A 16 -14.352 1.175 -9.406 1.00 10.00 C ATOM 224 CD2 PHE A 16 -14.075 -0.748 -7.936 1.00 10.00 C ATOM 225 CE1 PHE A 16 -15.608 0.687 -9.806 1.00 10.00 C ATOM 226 CE2 PHE A 16 -15.329 -1.237 -8.343 1.00 10.00 C ATOM 227 CZ PHE A 16 -16.099 -0.518 -9.273 1.00 10.00 C ATOM 0 H PHE A 16 -10.343 2.731 -6.481 1.00 10.00 H new ATOM 0 HA PHE A 16 -12.702 3.062 -8.136 1.00 10.00 H new ATOM 0 HB2 PHE A 16 -11.552 0.910 -8.918 1.00 10.00 H new ATOM 0 HB3 PHE A 16 -11.808 0.284 -7.301 1.00 10.00 H new ATOM 0 HD1 PHE A 16 -13.975 2.097 -9.823 1.00 10.00 H new ATOM 0 HD2 PHE A 16 -13.487 -1.302 -7.219 1.00 10.00 H new ATOM 0 HE1 PHE A 16 -16.197 1.238 -10.524 1.00 10.00 H new ATOM 0 HE2 PHE A 16 -15.701 -2.167 -7.940 1.00 10.00 H new ATOM 0 HZ PHE A 16 -17.066 -0.890 -9.578 1.00 10.00 H new ATOM 237 N VAL A 17 -14.035 2.184 -5.937 1.00 10.00 N ATOM 238 CA VAL A 17 -14.743 2.093 -4.662 1.00 10.00 C ATOM 239 C VAL A 17 -15.629 0.849 -4.761 1.00 10.00 C ATOM 240 O VAL A 17 -16.345 0.675 -5.751 1.00 10.00 O ATOM 241 CB VAL A 17 -15.552 3.381 -4.381 1.00 10.00 C ATOM 242 CG1 VAL A 17 -16.288 3.307 -3.032 1.00 10.00 C ATOM 243 CG2 VAL A 17 -14.656 4.631 -4.359 1.00 10.00 C ATOM 0 H VAL A 17 -14.637 1.995 -6.739 1.00 10.00 H new ATOM 0 HA VAL A 17 -14.056 2.002 -3.821 1.00 10.00 H new ATOM 0 HB VAL A 17 -16.272 3.459 -5.196 1.00 10.00 H new ATOM 0 HG11 VAL A 17 -16.845 4.230 -2.870 1.00 10.00 H new ATOM 0 HG12 VAL A 17 -16.978 2.463 -3.040 1.00 10.00 H new ATOM 0 HG13 VAL A 17 -15.563 3.175 -2.229 1.00 10.00 H new ATOM 0 HG21 VAL A 17 -15.266 5.512 -4.158 1.00 10.00 H new ATOM 0 HG22 VAL A 17 -13.903 4.525 -3.578 1.00 10.00 H new ATOM 0 HG23 VAL A 17 -14.164 4.743 -5.325 1.00 10.00 H new ATOM 253 N LEU A 18 -15.553 -0.028 -3.760 1.00 10.00 N ATOM 254 CA LEU A 18 -16.236 -1.319 -3.713 1.00 10.00 C ATOM 255 C LEU A 18 -16.401 -1.686 -2.240 1.00 10.00 C ATOM 256 O LEU A 18 -15.497 -1.426 -1.444 1.00 10.00 O ATOM 257 CB LEU A 18 -15.383 -2.372 -4.456 1.00 10.00 C ATOM 258 CG LEU A 18 -15.888 -3.827 -4.375 1.00 10.00 C ATOM 259 CD1 LEU A 18 -17.232 -4.011 -5.090 1.00 10.00 C ATOM 260 CD2 LEU A 18 -14.854 -4.765 -5.009 1.00 10.00 C ATOM 0 H LEU A 18 -14.991 0.149 -2.927 1.00 10.00 H new ATOM 0 HA LEU A 18 -17.212 -1.278 -4.197 1.00 10.00 H new ATOM 0 HB2 LEU A 18 -15.322 -2.087 -5.506 1.00 10.00 H new ATOM 0 HB3 LEU A 18 -14.369 -2.337 -4.057 1.00 10.00 H new ATOM 0 HG LEU A 18 -16.030 -4.066 -3.321 1.00 10.00 H new ATOM 0 HD11 LEU A 18 -17.549 -5.051 -5.007 1.00 10.00 H new ATOM 0 HD12 LEU A 18 -17.980 -3.366 -4.630 1.00 10.00 H new ATOM 0 HD13 LEU A 18 -17.124 -3.747 -6.142 1.00 10.00 H new ATOM 0 HD21 LEU A 18 -15.212 -5.793 -4.951 1.00 10.00 H new ATOM 0 HD22 LEU A 18 -14.706 -4.490 -6.053 1.00 10.00 H new ATOM 0 HD23 LEU A 18 -13.908 -4.679 -4.474 1.00 10.00 H new ATOM 272 N ASP A 19 -17.532 -2.304 -1.891 1.00 10.00 N ATOM 273 CA ASP A 19 -17.880 -2.752 -0.536 1.00 10.00 C ATOM 274 C ASP A 19 -17.610 -1.678 0.530 1.00 10.00 C ATOM 275 O ASP A 19 -16.967 -1.918 1.556 1.00 10.00 O ATOM 276 CB ASP A 19 -17.245 -4.118 -0.228 1.00 10.00 C ATOM 277 CG ASP A 19 -17.734 -4.691 1.118 1.00 10.00 C ATOM 278 OD1 ASP A 19 -18.949 -4.621 1.414 1.00 10.00 O ATOM 279 OD2 ASP A 19 -16.916 -5.278 1.863 1.00 10.00 O ATOM 0 H ASP A 19 -18.262 -2.516 -2.571 1.00 10.00 H new ATOM 0 HA ASP A 19 -18.959 -2.903 -0.499 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -17.484 -4.818 -1.029 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -16.160 -4.017 -0.207 1.00 10.00 H new ATOM 284 N GLY A 20 -18.064 -0.452 0.245 1.00 10.00 N ATOM 285 CA GLY A 20 -17.964 0.692 1.148 1.00 10.00 C ATOM 286 C GLY A 20 -16.521 1.077 1.492 1.00 10.00 C ATOM 287 O GLY A 20 -16.287 1.682 2.540 1.00 10.00 O ATOM 0 H GLY A 20 -18.520 -0.227 -0.639 1.00 10.00 H new ATOM 0 HA2 GLY A 20 -18.461 1.548 0.693 1.00 10.00 H new ATOM 0 HA3 GLY A 20 -18.500 0.465 2.069 1.00 10.00 H new ATOM 291 N THR A 21 -15.560 0.723 0.637 1.00 10.00 N ATOM 292 CA THR A 21 -14.130 0.882 0.869 1.00 10.00 C ATOM 293 C THR A 21 -13.525 1.471 -0.412 1.00 10.00 C ATOM 294 O THR A 21 -14.022 1.201 -1.510 1.00 10.00 O ATOM 295 CB THR A 21 -13.550 -0.504 1.238 1.00 10.00 C ATOM 296 OG1 THR A 21 -14.293 -1.108 2.284 1.00 10.00 O ATOM 297 CG2 THR A 21 -12.090 -0.449 1.697 1.00 10.00 C ATOM 0 H THR A 21 -15.768 0.302 -0.269 1.00 10.00 H new ATOM 0 HA THR A 21 -13.899 1.558 1.692 1.00 10.00 H new ATOM 0 HB THR A 21 -13.613 -1.086 0.319 1.00 10.00 H new ATOM 0 HG1 THR A 21 -15.166 -1.393 1.943 1.00 10.00 H new ATOM 0 HG21 THR A 21 -11.747 -1.455 1.940 1.00 10.00 H new ATOM 0 HG22 THR A 21 -11.473 -0.038 0.898 1.00 10.00 H new ATOM 0 HG23 THR A 21 -12.010 0.185 2.580 1.00 10.00 H new ATOM 305 N LYS A 22 -12.477 2.295 -0.293 1.00 10.00 N ATOM 306 CA LYS A 22 -11.745 2.824 -1.444 1.00 10.00 C ATOM 307 C LYS A 22 -10.606 1.864 -1.793 1.00 10.00 C ATOM 308 O LYS A 22 -10.060 1.189 -0.918 1.00 10.00 O ATOM 309 CB LYS A 22 -11.249 4.249 -1.138 1.00 10.00 C ATOM 310 CG LYS A 22 -10.644 4.940 -2.373 1.00 10.00 C ATOM 311 CD LYS A 22 -10.330 6.416 -2.104 1.00 10.00 C ATOM 312 CE LYS A 22 -9.731 7.056 -3.364 1.00 10.00 C ATOM 313 NZ LYS A 22 -9.426 8.497 -3.177 1.00 10.00 N ATOM 0 H LYS A 22 -12.114 2.612 0.606 1.00 10.00 H new ATOM 0 HA LYS A 22 -12.396 2.897 -2.315 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -12.079 4.846 -0.762 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -10.501 4.208 -0.346 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -9.731 4.422 -2.668 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -11.339 4.863 -3.209 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -11.238 6.944 -1.813 1.00 10.00 H new ATOM 0 HD3 LYS A 22 -9.631 6.503 -1.273 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -8.818 6.527 -3.638 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -10.428 6.940 -4.194 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -9.024 8.884 -4.055 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -10.300 9.009 -2.942 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -8.740 8.609 -2.403 1.00 10.00 H new ATOM 327 N TRP A 23 -10.239 1.832 -3.069 1.00 10.00 N ATOM 328 CA TRP A 23 -9.307 0.892 -3.671 1.00 10.00 C ATOM 329 C TRP A 23 -8.389 1.728 -4.578 1.00 10.00 C ATOM 330 O TRP A 23 -8.864 2.682 -5.198 1.00 10.00 O ATOM 331 CB TRP A 23 -10.154 -0.169 -4.408 1.00 10.00 C ATOM 332 CG TRP A 23 -11.004 -1.020 -3.508 1.00 10.00 C ATOM 333 CD1 TRP A 23 -12.230 -0.673 -3.072 1.00 10.00 C ATOM 334 CD2 TRP A 23 -10.733 -2.323 -2.889 1.00 10.00 C ATOM 335 NE1 TRP A 23 -12.715 -1.616 -2.195 1.00 10.00 N ATOM 336 CE2 TRP A 23 -11.840 -2.667 -2.053 1.00 10.00 C ATOM 337 CE3 TRP A 23 -9.677 -3.258 -2.947 1.00 10.00 C ATOM 338 CZ2 TRP A 23 -11.888 -3.861 -1.315 1.00 10.00 C ATOM 339 CZ3 TRP A 23 -9.712 -4.461 -2.217 1.00 10.00 C ATOM 340 CH2 TRP A 23 -10.815 -4.766 -1.402 1.00 10.00 C ATOM 0 H TRP A 23 -10.606 2.500 -3.747 1.00 10.00 H new ATOM 0 HA TRP A 23 -8.671 0.352 -2.970 1.00 10.00 H new ATOM 0 HB2 TRP A 23 -10.800 0.335 -5.127 1.00 10.00 H new ATOM 0 HB3 TRP A 23 -9.487 -0.817 -4.977 1.00 10.00 H new ATOM 0 HD1 TRP A 23 -12.759 0.221 -3.369 1.00 10.00 H new ATOM 0 HE1 TRP A 23 -13.610 -1.544 -1.712 1.00 10.00 H new ATOM 0 HE3 TRP A 23 -8.819 -3.045 -3.568 1.00 10.00 H new ATOM 0 HZ2 TRP A 23 -12.739 -4.082 -0.688 1.00 10.00 H new ATOM 0 HZ3 TRP A 23 -8.886 -5.154 -2.284 1.00 10.00 H new ATOM 0 HH2 TRP A 23 -10.839 -5.691 -0.845 1.00 10.00 H new ATOM 351 N ILE A 24 -7.083 1.442 -4.623 1.00 10.00 N ATOM 352 CA ILE A 24 -6.065 2.298 -5.235 1.00 10.00 C ATOM 353 C ILE A 24 -4.835 1.479 -5.681 1.00 10.00 C ATOM 354 O ILE A 24 -4.586 0.373 -5.199 1.00 10.00 O ATOM 355 CB ILE A 24 -5.727 3.449 -4.248 1.00 10.00 C ATOM 356 CG1 ILE A 24 -4.879 4.554 -4.917 1.00 10.00 C ATOM 357 CG2 ILE A 24 -5.079 2.946 -2.943 1.00 10.00 C ATOM 358 CD1 ILE A 24 -4.846 5.868 -4.126 1.00 10.00 C ATOM 0 H ILE A 24 -6.697 0.586 -4.224 1.00 10.00 H new ATOM 0 HA ILE A 24 -6.448 2.747 -6.152 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.681 3.896 -3.967 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -3.859 4.191 -5.044 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.274 4.750 -5.914 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -4.865 3.794 -2.293 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -5.762 2.264 -2.437 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -4.151 2.424 -3.175 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -4.232 6.596 -4.656 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -5.860 6.255 -4.021 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -4.423 5.687 -3.138 1.00 10.00 H new ATOM 370 N PHE A 25 -4.073 2.011 -6.638 1.00 10.00 N ATOM 371 CA PHE A 25 -2.774 1.503 -7.077 1.00 10.00 C ATOM 372 C PHE A 25 -1.744 1.471 -5.931 1.00 10.00 C ATOM 373 O PHE A 25 -1.836 2.260 -4.986 1.00 10.00 O ATOM 374 CB PHE A 25 -2.309 2.405 -8.236 1.00 10.00 C ATOM 375 CG PHE A 25 -0.915 2.153 -8.787 1.00 10.00 C ATOM 376 CD1 PHE A 25 -0.529 0.863 -9.194 1.00 10.00 C ATOM 377 CD2 PHE A 25 -0.001 3.218 -8.917 1.00 10.00 C ATOM 378 CE1 PHE A 25 0.751 0.635 -9.719 1.00 10.00 C ATOM 379 CE2 PHE A 25 1.284 2.989 -9.443 1.00 10.00 C ATOM 380 CZ PHE A 25 1.662 1.697 -9.845 1.00 10.00 C ATOM 0 H PHE A 25 -4.358 2.845 -7.151 1.00 10.00 H new ATOM 0 HA PHE A 25 -2.867 0.468 -7.408 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -3.021 2.300 -9.054 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -2.359 3.441 -7.901 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -1.224 0.042 -9.101 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -0.288 4.213 -8.612 1.00 10.00 H new ATOM 0 HE1 PHE A 25 1.037 -0.360 -10.027 1.00 10.00 H new ATOM 0 HE2 PHE A 25 1.981 3.808 -9.538 1.00 10.00 H new ATOM 0 HZ PHE A 25 2.648 1.521 -10.249 1.00 10.00 H new ATOM 390 N LYS A 26 -0.724 0.604 -6.051 1.00 10.00 N ATOM 391 CA LYS A 26 0.467 0.608 -5.198 1.00 10.00 C ATOM 392 C LYS A 26 1.718 0.399 -6.071 1.00 10.00 C ATOM 393 O LYS A 26 2.468 1.363 -6.227 1.00 10.00 O ATOM 394 CB LYS A 26 0.286 -0.400 -4.039 1.00 10.00 C ATOM 395 CG LYS A 26 1.222 -0.225 -2.830 1.00 10.00 C ATOM 396 CD LYS A 26 2.699 -0.444 -3.170 1.00 10.00 C ATOM 397 CE LYS A 26 3.571 -0.550 -1.916 1.00 10.00 C ATOM 398 NZ LYS A 26 5.009 -0.647 -2.270 1.00 10.00 N ATOM 0 H LYS A 26 -0.708 -0.131 -6.758 1.00 10.00 H new ATOM 0 HA LYS A 26 0.610 1.572 -4.710 1.00 10.00 H new ATOM 0 HB2 LYS A 26 -0.743 -0.335 -3.687 1.00 10.00 H new ATOM 0 HB3 LYS A 26 0.424 -1.406 -4.436 1.00 10.00 H new ATOM 0 HG2 LYS A 26 1.095 0.778 -2.423 1.00 10.00 H new ATOM 0 HG3 LYS A 26 0.929 -0.925 -2.048 1.00 10.00 H new ATOM 0 HD2 LYS A 26 2.803 -1.354 -3.761 1.00 10.00 H new ATOM 0 HD3 LYS A 26 3.054 0.380 -3.789 1.00 10.00 H new ATOM 0 HE2 LYS A 26 3.408 0.321 -1.281 1.00 10.00 H new ATOM 0 HE3 LYS A 26 3.276 -1.426 -1.338 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 5.576 -0.718 -1.401 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 5.166 -1.492 -2.856 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 5.294 0.200 -2.801 1.00 10.00 H new ATOM 412 N SER A 27 1.932 -0.777 -6.684 1.00 10.00 N ATOM 413 CA SER A 27 3.112 -1.057 -7.519 1.00 10.00 C ATOM 414 C SER A 27 2.792 -2.093 -8.605 1.00 10.00 C ATOM 415 O SER A 27 2.063 -3.049 -8.351 1.00 10.00 O ATOM 416 CB SER A 27 4.255 -1.616 -6.652 1.00 10.00 C ATOM 417 OG SER A 27 4.637 -0.737 -5.606 1.00 10.00 O ATOM 0 H SER A 27 1.288 -1.565 -6.614 1.00 10.00 H new ATOM 0 HA SER A 27 3.408 -0.118 -7.987 1.00 10.00 H new ATOM 0 HB2 SER A 27 3.946 -2.569 -6.224 1.00 10.00 H new ATOM 0 HB3 SER A 27 5.119 -1.816 -7.285 1.00 10.00 H new ATOM 0 HG SER A 27 5.363 -1.142 -5.087 1.00 10.00 H new ATOM 423 N LYS A 28 3.381 -1.965 -9.800 1.00 10.00 N ATOM 424 CA LYS A 28 3.277 -2.959 -10.875 1.00 10.00 C ATOM 425 C LYS A 28 4.561 -2.945 -11.701 1.00 10.00 C ATOM 426 O LYS A 28 5.213 -1.901 -11.794 1.00 10.00 O ATOM 427 CB LYS A 28 2.018 -2.714 -11.737 1.00 10.00 C ATOM 428 CG LYS A 28 2.042 -1.407 -12.559 1.00 10.00 C ATOM 429 CD LYS A 28 0.653 -0.974 -13.062 1.00 10.00 C ATOM 430 CE LYS A 28 -0.028 -1.939 -14.046 1.00 10.00 C ATOM 431 NZ LYS A 28 0.538 -1.883 -15.420 1.00 10.00 N ATOM 0 H LYS A 28 3.951 -1.157 -10.051 1.00 10.00 H new ATOM 0 HA LYS A 28 3.163 -3.953 -10.444 1.00 10.00 H new ATOM 0 HB2 LYS A 28 1.893 -3.554 -12.420 1.00 10.00 H new ATOM 0 HB3 LYS A 28 1.145 -2.701 -11.085 1.00 10.00 H new ATOM 0 HG2 LYS A 28 2.463 -0.609 -11.947 1.00 10.00 H new ATOM 0 HG3 LYS A 28 2.705 -1.537 -13.414 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -0.001 -0.842 -12.200 1.00 10.00 H new ATOM 0 HD3 LYS A 28 0.748 -0.000 -13.543 1.00 10.00 H new ATOM 0 HE2 LYS A 28 0.062 -2.957 -13.666 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -1.092 -1.709 -14.090 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -0.134 -2.308 -16.090 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 0.711 -0.892 -15.684 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 1.434 -2.410 -15.448 1.00 10.00 H new ATOM 445 N TYR A 29 4.917 -4.078 -12.302 1.00 10.00 N ATOM 446 CA TYR A 29 6.080 -4.231 -13.168 1.00 10.00 C ATOM 447 C TYR A 29 5.815 -5.362 -14.162 1.00 10.00 C ATOM 448 O TYR A 29 4.964 -6.223 -13.921 1.00 10.00 O ATOM 449 CB TYR A 29 7.345 -4.510 -12.334 1.00 10.00 C ATOM 450 CG TYR A 29 7.399 -5.859 -11.630 1.00 10.00 C ATOM 451 CD1 TYR A 29 6.716 -6.057 -10.414 1.00 10.00 C ATOM 452 CD2 TYR A 29 8.166 -6.908 -12.177 1.00 10.00 C ATOM 453 CE1 TYR A 29 6.797 -7.292 -9.746 1.00 10.00 C ATOM 454 CE2 TYR A 29 8.256 -8.144 -11.513 1.00 10.00 C ATOM 455 CZ TYR A 29 7.570 -8.343 -10.293 1.00 10.00 C ATOM 456 OH TYR A 29 7.652 -9.531 -9.631 1.00 10.00 O ATOM 0 H TYR A 29 4.386 -4.942 -12.195 1.00 10.00 H new ATOM 0 HA TYR A 29 6.250 -3.306 -13.718 1.00 10.00 H new ATOM 0 HB2 TYR A 29 8.212 -4.430 -12.989 1.00 10.00 H new ATOM 0 HB3 TYR A 29 7.440 -3.727 -11.582 1.00 10.00 H new ATOM 0 HD1 TYR A 29 6.127 -5.256 -9.992 1.00 10.00 H new ATOM 0 HD2 TYR A 29 8.687 -6.761 -13.111 1.00 10.00 H new ATOM 0 HE1 TYR A 29 6.269 -7.438 -8.815 1.00 10.00 H new ATOM 0 HE2 TYR A 29 8.849 -8.942 -11.935 1.00 10.00 H new ATOM 0 HH TYR A 29 8.219 -10.149 -10.137 1.00 10.00 H new ATOM 466 N TYR A 30 6.539 -5.369 -15.281 1.00 10.00 N ATOM 467 CA TYR A 30 6.483 -6.453 -16.249 1.00 10.00 C ATOM 468 C TYR A 30 7.565 -7.456 -15.862 1.00 10.00 C ATOM 469 O TYR A 30 8.746 -7.109 -15.800 1.00 10.00 O ATOM 470 CB TYR A 30 6.672 -5.900 -17.664 1.00 10.00 C ATOM 471 CG TYR A 30 6.420 -6.919 -18.759 1.00 10.00 C ATOM 472 CD1 TYR A 30 5.101 -7.325 -19.037 1.00 10.00 C ATOM 473 CD2 TYR A 30 7.486 -7.437 -19.519 1.00 10.00 C ATOM 474 CE1 TYR A 30 4.840 -8.222 -20.088 1.00 10.00 C ATOM 475 CE2 TYR A 30 7.234 -8.335 -20.573 1.00 10.00 C ATOM 476 CZ TYR A 30 5.906 -8.722 -20.869 1.00 10.00 C ATOM 477 OH TYR A 30 5.637 -9.563 -21.907 1.00 10.00 O ATOM 0 H TYR A 30 7.181 -4.619 -15.538 1.00 10.00 H new ATOM 0 HA TYR A 30 5.514 -6.952 -16.243 1.00 10.00 H new ATOM 0 HB2 TYR A 30 5.999 -5.054 -17.806 1.00 10.00 H new ATOM 0 HB3 TYR A 30 7.689 -5.519 -17.762 1.00 10.00 H new ATOM 0 HD1 TYR A 30 4.285 -6.945 -18.440 1.00 10.00 H new ATOM 0 HD2 TYR A 30 8.501 -7.144 -19.292 1.00 10.00 H new ATOM 0 HE1 TYR A 30 3.826 -8.528 -20.298 1.00 10.00 H new ATOM 0 HE2 TYR A 30 8.054 -8.728 -21.155 1.00 10.00 H new ATOM 0 HH TYR A 30 6.475 -9.818 -22.347 1.00 10.00 H new ATOM 487 N ASP A 31 7.165 -8.688 -15.559 1.00 10.00 N ATOM 488 CA ASP A 31 8.073 -9.770 -15.210 1.00 10.00 C ATOM 489 C ASP A 31 8.501 -10.478 -16.492 1.00 10.00 C ATOM 490 O ASP A 31 7.920 -11.493 -16.885 1.00 10.00 O ATOM 491 CB ASP A 31 7.431 -10.737 -14.207 1.00 10.00 C ATOM 492 CG ASP A 31 8.396 -11.880 -13.843 1.00 10.00 C ATOM 493 OD1 ASP A 31 9.628 -11.655 -13.816 1.00 10.00 O ATOM 494 OD2 ASP A 31 7.921 -12.993 -13.530 1.00 10.00 O ATOM 0 H ASP A 31 6.183 -8.964 -15.550 1.00 10.00 H new ATOM 0 HA ASP A 31 8.956 -9.364 -14.716 1.00 10.00 H new ATOM 0 HB2 ASP A 31 7.148 -10.195 -13.305 1.00 10.00 H new ATOM 0 HB3 ASP A 31 6.516 -11.151 -14.631 1.00 10.00 H new ATOM 499 N SER A 32 9.484 -9.905 -17.187 1.00 10.00 N ATOM 500 CA SER A 32 9.974 -10.369 -18.482 1.00 10.00 C ATOM 501 C SER A 32 10.386 -11.851 -18.485 1.00 10.00 C ATOM 502 O SER A 32 10.303 -12.504 -19.525 1.00 10.00 O ATOM 503 CB SER A 32 11.150 -9.481 -18.913 1.00 10.00 C ATOM 504 OG SER A 32 10.861 -8.107 -18.695 1.00 10.00 O ATOM 0 H SER A 32 9.977 -9.077 -16.851 1.00 10.00 H new ATOM 0 HA SER A 32 9.152 -10.290 -19.193 1.00 10.00 H new ATOM 0 HB2 SER A 32 12.044 -9.761 -18.356 1.00 10.00 H new ATOM 0 HB3 SER A 32 11.367 -9.647 -19.968 1.00 10.00 H new ATOM 0 HG SER A 32 11.626 -7.563 -18.976 1.00 10.00 H new ATOM 510 N SER A 33 10.781 -12.402 -17.330 1.00 10.00 N ATOM 511 CA SER A 33 11.135 -13.810 -17.167 1.00 10.00 C ATOM 512 C SER A 33 9.955 -14.760 -17.441 1.00 10.00 C ATOM 513 O SER A 33 10.182 -15.931 -17.756 1.00 10.00 O ATOM 514 CB SER A 33 11.679 -14.020 -15.748 1.00 10.00 C ATOM 515 OG SER A 33 12.680 -13.056 -15.446 1.00 10.00 O ATOM 0 H SER A 33 10.864 -11.866 -16.466 1.00 10.00 H new ATOM 0 HA SER A 33 11.897 -14.054 -17.907 1.00 10.00 H new ATOM 0 HB2 SER A 33 10.865 -13.945 -15.026 1.00 10.00 H new ATOM 0 HB3 SER A 33 12.094 -15.024 -15.657 1.00 10.00 H new ATOM 0 HG SER A 33 13.014 -13.205 -14.537 1.00 10.00 H new ATOM 521 N LYS A 34 8.709 -14.273 -17.360 1.00 10.00 N ATOM 522 CA LYS A 34 7.491 -15.040 -17.651 1.00 10.00 C ATOM 523 C LYS A 34 6.601 -14.332 -18.677 1.00 10.00 C ATOM 524 O LYS A 34 5.703 -14.966 -19.232 1.00 10.00 O ATOM 525 CB LYS A 34 6.716 -15.314 -16.353 1.00 10.00 C ATOM 526 CG LYS A 34 7.442 -16.309 -15.435 1.00 10.00 C ATOM 527 CD LYS A 34 6.598 -16.619 -14.193 1.00 10.00 C ATOM 528 CE LYS A 34 7.308 -17.653 -13.312 1.00 10.00 C ATOM 529 NZ LYS A 34 6.514 -18.003 -12.108 1.00 10.00 N ATOM 0 H LYS A 34 8.516 -13.310 -17.083 1.00 10.00 H new ATOM 0 HA LYS A 34 7.793 -15.990 -18.091 1.00 10.00 H new ATOM 0 HB2 LYS A 34 6.564 -14.376 -15.819 1.00 10.00 H new ATOM 0 HB3 LYS A 34 5.728 -15.705 -16.598 1.00 10.00 H new ATOM 0 HG2 LYS A 34 7.647 -17.230 -15.980 1.00 10.00 H new ATOM 0 HG3 LYS A 34 8.404 -15.896 -15.133 1.00 10.00 H new ATOM 0 HD2 LYS A 34 6.425 -15.705 -13.625 1.00 10.00 H new ATOM 0 HD3 LYS A 34 5.621 -16.997 -14.494 1.00 10.00 H new ATOM 0 HE2 LYS A 34 7.498 -18.555 -13.894 1.00 10.00 H new ATOM 0 HE3 LYS A 34 8.278 -17.261 -13.005 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 7.033 -18.705 -11.542 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 6.354 -17.148 -11.537 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 5.599 -18.401 -12.400 1.00 10.00 H new ATOM 543 N GLY A 35 6.864 -13.058 -18.980 1.00 10.00 N ATOM 544 CA GLY A 35 6.203 -12.339 -20.055 1.00 10.00 C ATOM 545 C GLY A 35 4.780 -11.946 -19.672 1.00 10.00 C ATOM 546 O GLY A 35 3.862 -12.104 -20.480 1.00 10.00 O ATOM 0 H GLY A 35 7.551 -12.497 -18.476 1.00 10.00 H new ATOM 0 HA2 GLY A 35 6.775 -11.444 -20.301 1.00 10.00 H new ATOM 0 HA3 GLY A 35 6.182 -12.960 -20.950 1.00 10.00 H new ATOM 550 N TYR A 36 4.578 -11.473 -18.437 1.00 10.00 N ATOM 551 CA TYR A 36 3.303 -10.934 -17.977 1.00 10.00 C ATOM 552 C TYR A 36 3.544 -9.807 -16.970 1.00 10.00 C ATOM 553 O TYR A 36 4.668 -9.634 -16.492 1.00 10.00 O ATOM 554 CB TYR A 36 2.379 -12.050 -17.441 1.00 10.00 C ATOM 555 CG TYR A 36 2.776 -12.919 -16.249 1.00 10.00 C ATOM 556 CD1 TYR A 36 3.975 -12.749 -15.524 1.00 10.00 C ATOM 557 CD2 TYR A 36 1.883 -13.939 -15.859 1.00 10.00 C ATOM 558 CE1 TYR A 36 4.272 -13.580 -14.429 1.00 10.00 C ATOM 559 CE2 TYR A 36 2.178 -14.782 -14.774 1.00 10.00 C ATOM 560 CZ TYR A 36 3.380 -14.606 -14.052 1.00 10.00 C ATOM 561 OH TYR A 36 3.689 -15.413 -12.999 1.00 10.00 O ATOM 0 H TYR A 36 5.307 -11.456 -17.724 1.00 10.00 H new ATOM 0 HA TYR A 36 2.771 -10.498 -18.823 1.00 10.00 H new ATOM 0 HB2 TYR A 36 1.430 -11.578 -17.186 1.00 10.00 H new ATOM 0 HB3 TYR A 36 2.185 -12.726 -18.274 1.00 10.00 H new ATOM 0 HD1 TYR A 36 4.670 -11.974 -15.813 1.00 10.00 H new ATOM 0 HD2 TYR A 36 0.959 -14.074 -16.402 1.00 10.00 H new ATOM 0 HE1 TYR A 36 5.187 -13.432 -13.874 1.00 10.00 H new ATOM 0 HE2 TYR A 36 1.487 -15.563 -14.492 1.00 10.00 H new ATOM 0 HH TYR A 36 2.972 -16.068 -12.867 1.00 10.00 H new ATOM 571 N TRP A 37 2.514 -9.021 -16.656 1.00 10.00 N ATOM 572 CA TRP A 37 2.607 -8.042 -15.585 1.00 10.00 C ATOM 573 C TRP A 37 2.385 -8.746 -14.252 1.00 10.00 C ATOM 574 O TRP A 37 1.659 -9.741 -14.169 1.00 10.00 O ATOM 575 CB TRP A 37 1.597 -6.910 -15.794 1.00 10.00 C ATOM 576 CG TRP A 37 1.978 -5.932 -16.862 1.00 10.00 C ATOM 577 CD1 TRP A 37 1.721 -6.051 -18.182 1.00 10.00 C ATOM 578 CD2 TRP A 37 2.689 -4.665 -16.715 1.00 10.00 C ATOM 579 NE1 TRP A 37 2.235 -4.966 -18.862 1.00 10.00 N ATOM 580 CE2 TRP A 37 2.842 -4.073 -18.004 1.00 10.00 C ATOM 581 CE3 TRP A 37 3.213 -3.954 -15.615 1.00 10.00 C ATOM 582 CZ2 TRP A 37 3.490 -2.842 -18.190 1.00 10.00 C ATOM 583 CZ3 TRP A 37 3.879 -2.725 -15.791 1.00 10.00 C ATOM 584 CH2 TRP A 37 4.013 -2.167 -17.074 1.00 10.00 C ATOM 0 H TRP A 37 1.611 -9.046 -17.129 1.00 10.00 H new ATOM 0 HA TRP A 37 3.599 -7.590 -15.587 1.00 10.00 H new ATOM 0 HB2 TRP A 37 0.629 -7.344 -16.044 1.00 10.00 H new ATOM 0 HB3 TRP A 37 1.472 -6.373 -14.854 1.00 10.00 H new ATOM 0 HD1 TRP A 37 1.191 -6.874 -18.638 1.00 10.00 H new ATOM 0 HE1 TRP A 37 2.174 -4.840 -19.872 1.00 10.00 H new ATOM 0 HE3 TRP A 37 3.102 -4.359 -14.620 1.00 10.00 H new ATOM 0 HZ2 TRP A 37 3.586 -2.419 -19.179 1.00 10.00 H new ATOM 0 HZ3 TRP A 37 4.289 -2.209 -14.935 1.00 10.00 H new ATOM 0 HH2 TRP A 37 4.517 -1.221 -17.202 1.00 10.00 H new ATOM 595 N VAL A 38 2.975 -8.181 -13.206 1.00 10.00 N ATOM 596 CA VAL A 38 2.857 -8.595 -11.819 1.00 10.00 C ATOM 597 C VAL A 38 2.703 -7.296 -11.020 1.00 10.00 C ATOM 598 O VAL A 38 3.213 -6.250 -11.436 1.00 10.00 O ATOM 599 CB VAL A 38 4.113 -9.408 -11.416 1.00 10.00 C ATOM 600 CG1 VAL A 38 4.097 -9.817 -9.934 1.00 10.00 C ATOM 601 CG2 VAL A 38 4.277 -10.675 -12.275 1.00 10.00 C ATOM 0 H VAL A 38 3.586 -7.371 -13.314 1.00 10.00 H new ATOM 0 HA VAL A 38 2.005 -9.249 -11.632 1.00 10.00 H new ATOM 0 HB VAL A 38 4.958 -8.741 -11.588 1.00 10.00 H new ATOM 0 HG11 VAL A 38 4.999 -10.384 -9.703 1.00 10.00 H new ATOM 0 HG12 VAL A 38 4.061 -8.924 -9.310 1.00 10.00 H new ATOM 0 HG13 VAL A 38 3.220 -10.433 -9.736 1.00 10.00 H new ATOM 0 HG21 VAL A 38 5.169 -11.215 -11.959 1.00 10.00 H new ATOM 0 HG22 VAL A 38 3.403 -11.314 -12.151 1.00 10.00 H new ATOM 0 HG23 VAL A 38 4.375 -10.394 -13.323 1.00 10.00 H new ATOM 611 N GLY A 39 2.012 -7.327 -9.881 1.00 10.00 N ATOM 612 CA GLY A 39 1.906 -6.147 -9.042 1.00 10.00 C ATOM 613 C GLY A 39 1.410 -6.445 -7.639 1.00 10.00 C ATOM 614 O GLY A 39 0.879 -7.524 -7.352 1.00 10.00 O ATOM 0 H GLY A 39 1.524 -8.149 -9.526 1.00 10.00 H new ATOM 0 HA2 GLY A 39 2.882 -5.666 -8.979 1.00 10.00 H new ATOM 0 HA3 GLY A 39 1.230 -5.434 -9.514 1.00 10.00 H new ATOM 618 N ILE A 40 1.582 -5.435 -6.791 1.00 10.00 N ATOM 619 CA ILE A 40 1.019 -5.315 -5.462 1.00 10.00 C ATOM 620 C ILE A 40 -0.025 -4.229 -5.667 1.00 10.00 C ATOM 621 O ILE A 40 0.309 -3.128 -6.110 1.00 10.00 O ATOM 622 CB ILE A 40 2.090 -4.876 -4.431 1.00 10.00 C ATOM 623 CG1 ILE A 40 3.331 -5.799 -4.440 1.00 10.00 C ATOM 624 CG2 ILE A 40 1.451 -4.806 -3.029 1.00 10.00 C ATOM 625 CD1 ILE A 40 4.468 -5.315 -3.530 1.00 10.00 C ATOM 0 H ILE A 40 2.157 -4.629 -7.036 1.00 10.00 H new ATOM 0 HA ILE A 40 0.618 -6.248 -5.067 1.00 10.00 H new ATOM 0 HB ILE A 40 2.449 -3.886 -4.713 1.00 10.00 H new ATOM 0 HG12 ILE A 40 3.030 -6.800 -4.130 1.00 10.00 H new ATOM 0 HG13 ILE A 40 3.704 -5.881 -5.461 1.00 10.00 H new ATOM 0 HG21 ILE A 40 2.202 -4.497 -2.302 1.00 10.00 H new ATOM 0 HG22 ILE A 40 0.635 -4.083 -3.037 1.00 10.00 H new ATOM 0 HG23 ILE A 40 1.064 -5.788 -2.756 1.00 10.00 H new ATOM 0 HD11 ILE A 40 5.303 -6.013 -3.589 1.00 10.00 H new ATOM 0 HD12 ILE A 40 4.797 -4.327 -3.853 1.00 10.00 H new ATOM 0 HD13 ILE A 40 4.112 -5.261 -2.501 1.00 10.00 H new ATOM 637 N TYR A 41 -1.286 -4.530 -5.400 1.00 10.00 N ATOM 638 CA TYR A 41 -2.378 -3.666 -5.803 1.00 10.00 C ATOM 639 C TYR A 41 -3.402 -3.646 -4.682 1.00 10.00 C ATOM 640 O TYR A 41 -3.529 -4.608 -3.929 1.00 10.00 O ATOM 641 CB TYR A 41 -2.987 -4.195 -7.119 1.00 10.00 C ATOM 642 CG TYR A 41 -2.862 -3.236 -8.287 1.00 10.00 C ATOM 643 CD1 TYR A 41 -3.598 -2.039 -8.286 1.00 10.00 C ATOM 644 CD2 TYR A 41 -2.039 -3.550 -9.386 1.00 10.00 C ATOM 645 CE1 TYR A 41 -3.551 -1.175 -9.394 1.00 10.00 C ATOM 646 CE2 TYR A 41 -1.992 -2.695 -10.501 1.00 10.00 C ATOM 647 CZ TYR A 41 -2.752 -1.504 -10.510 1.00 10.00 C ATOM 648 OH TYR A 41 -2.661 -0.641 -11.559 1.00 10.00 O ATOM 0 H TYR A 41 -1.577 -5.372 -4.903 1.00 10.00 H new ATOM 0 HA TYR A 41 -2.031 -2.648 -5.983 1.00 10.00 H new ATOM 0 HB2 TYR A 41 -2.500 -5.135 -7.380 1.00 10.00 H new ATOM 0 HB3 TYR A 41 -4.042 -4.417 -6.956 1.00 10.00 H new ATOM 0 HD1 TYR A 41 -4.203 -1.781 -7.429 1.00 10.00 H new ATOM 0 HD2 TYR A 41 -1.442 -4.450 -9.372 1.00 10.00 H new ATOM 0 HE1 TYR A 41 -4.126 -0.261 -9.391 1.00 10.00 H new ATOM 0 HE2 TYR A 41 -1.375 -2.949 -11.350 1.00 10.00 H new ATOM 0 HH TYR A 41 -2.093 0.118 -11.310 1.00 10.00 H new ATOM 658 N GLU A 42 -4.188 -2.574 -4.626 1.00 10.00 N ATOM 659 CA GLU A 42 -5.373 -2.503 -3.792 1.00 10.00 C ATOM 660 C GLU A 42 -6.519 -2.055 -4.697 1.00 10.00 C ATOM 661 O GLU A 42 -7.344 -1.279 -4.251 1.00 10.00 O ATOM 662 CB GLU A 42 -5.097 -1.592 -2.573 1.00 10.00 C ATOM 663 CG GLU A 42 -6.132 -1.748 -1.450 1.00 10.00 C ATOM 664 CD GLU A 42 -5.666 -1.106 -0.133 1.00 10.00 C ATOM 665 OE1 GLU A 42 -5.345 0.105 -0.099 1.00 10.00 O ATOM 666 OE2 GLU A 42 -5.664 -1.818 0.897 1.00 10.00 O ATOM 0 H GLU A 42 -4.014 -1.726 -5.165 1.00 10.00 H new ATOM 0 HA GLU A 42 -5.655 -3.461 -3.356 1.00 10.00 H new ATOM 0 HB2 GLU A 42 -4.106 -1.816 -2.178 1.00 10.00 H new ATOM 0 HB3 GLU A 42 -5.082 -0.553 -2.901 1.00 10.00 H new ATOM 0 HG2 GLU A 42 -7.073 -1.293 -1.760 1.00 10.00 H new ATOM 0 HG3 GLU A 42 -6.329 -2.807 -1.285 1.00 10.00 H new ATOM 673 N VAL A 43 -6.570 -2.488 -5.968 1.00 10.00 N ATOM 674 CA VAL A 43 -7.749 -2.314 -6.826 1.00 10.00 C ATOM 675 C VAL A 43 -7.799 -3.355 -7.953 1.00 10.00 C ATOM 676 O VAL A 43 -8.866 -3.932 -8.175 1.00 10.00 O ATOM 677 CB VAL A 43 -7.879 -0.859 -7.355 1.00 10.00 C ATOM 678 CG1 VAL A 43 -6.671 -0.311 -8.121 1.00 10.00 C ATOM 679 CG2 VAL A 43 -9.120 -0.676 -8.233 1.00 10.00 C ATOM 0 H VAL A 43 -5.795 -2.967 -6.427 1.00 10.00 H new ATOM 0 HA VAL A 43 -8.624 -2.492 -6.201 1.00 10.00 H new ATOM 0 HB VAL A 43 -7.957 -0.282 -6.434 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -6.876 0.711 -8.441 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -5.795 -0.319 -7.473 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -6.481 -0.934 -8.995 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -9.171 0.356 -8.581 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -9.061 -1.346 -9.091 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -10.013 -0.908 -7.653 1.00 10.00 H new ATOM 689 N TRP A 44 -6.687 -3.608 -8.660 1.00 10.00 N ATOM 690 CA TRP A 44 -6.687 -4.515 -9.807 1.00 10.00 C ATOM 691 C TRP A 44 -7.091 -5.920 -9.349 1.00 10.00 C ATOM 692 O TRP A 44 -6.698 -6.367 -8.268 1.00 10.00 O ATOM 693 CB TRP A 44 -5.312 -4.501 -10.499 1.00 10.00 C ATOM 694 CG TRP A 44 -5.187 -5.224 -11.812 1.00 10.00 C ATOM 695 CD1 TRP A 44 -6.112 -5.253 -12.799 1.00 10.00 C ATOM 696 CD2 TRP A 44 -4.046 -5.979 -12.334 1.00 10.00 C ATOM 697 NE1 TRP A 44 -5.645 -5.993 -13.866 1.00 10.00 N ATOM 698 CE2 TRP A 44 -4.385 -6.491 -13.623 1.00 10.00 C ATOM 699 CE3 TRP A 44 -2.757 -6.289 -11.853 1.00 10.00 C ATOM 700 CZ2 TRP A 44 -3.515 -7.305 -14.364 1.00 10.00 C ATOM 701 CZ3 TRP A 44 -1.866 -7.094 -12.592 1.00 10.00 C ATOM 702 CH2 TRP A 44 -2.249 -7.615 -13.840 1.00 10.00 C ATOM 0 H TRP A 44 -5.778 -3.194 -8.453 1.00 10.00 H new ATOM 0 HA TRP A 44 -7.418 -4.181 -10.543 1.00 10.00 H new ATOM 0 HB2 TRP A 44 -5.027 -3.461 -10.659 1.00 10.00 H new ATOM 0 HB3 TRP A 44 -4.584 -4.928 -9.809 1.00 10.00 H new ATOM 0 HD1 TRP A 44 -7.076 -4.768 -12.758 1.00 10.00 H new ATOM 0 HE1 TRP A 44 -6.168 -6.151 -14.727 1.00 10.00 H new ATOM 0 HE3 TRP A 44 -2.445 -5.900 -10.895 1.00 10.00 H new ATOM 0 HZ2 TRP A 44 -3.816 -7.689 -15.327 1.00 10.00 H new ATOM 0 HZ3 TRP A 44 -0.885 -7.311 -12.197 1.00 10.00 H new ATOM 0 HH2 TRP A 44 -1.573 -8.250 -14.393 1.00 10.00 H new ATOM 713 N ASP A 45 -7.864 -6.618 -10.180 1.00 10.00 N ATOM 714 CA ASP A 45 -8.428 -7.937 -9.892 1.00 10.00 C ATOM 715 C ASP A 45 -8.303 -8.784 -11.159 1.00 10.00 C ATOM 716 O ASP A 45 -9.286 -9.245 -11.738 1.00 10.00 O ATOM 717 CB ASP A 45 -9.872 -7.810 -9.380 1.00 10.00 C ATOM 718 CG ASP A 45 -10.502 -9.183 -9.078 1.00 10.00 C ATOM 719 OD1 ASP A 45 -9.818 -10.066 -8.511 1.00 10.00 O ATOM 720 OD2 ASP A 45 -11.710 -9.371 -9.352 1.00 10.00 O ATOM 0 H ASP A 45 -8.124 -6.270 -11.103 1.00 10.00 H new ATOM 0 HA ASP A 45 -7.882 -8.435 -9.091 1.00 10.00 H new ATOM 0 HB2 ASP A 45 -9.884 -7.200 -8.477 1.00 10.00 H new ATOM 0 HB3 ASP A 45 -10.476 -7.290 -10.124 1.00 10.00 H new ATOM 725 N ARG A 46 -7.059 -8.863 -11.653 1.00 10.00 N ATOM 726 CA ARG A 46 -6.608 -9.413 -12.939 1.00 10.00 C ATOM 727 C ARG A 46 -7.314 -8.888 -14.197 1.00 10.00 C ATOM 728 O ARG A 46 -6.909 -9.250 -15.300 1.00 10.00 O ATOM 729 CB ARG A 46 -6.471 -10.946 -12.896 1.00 10.00 C ATOM 730 CG ARG A 46 -7.773 -11.758 -12.815 1.00 10.00 C ATOM 731 CD ARG A 46 -7.521 -13.264 -12.989 1.00 10.00 C ATOM 732 NE ARG A 46 -6.803 -13.854 -11.840 1.00 10.00 N ATOM 733 CZ ARG A 46 -5.492 -14.124 -11.755 1.00 10.00 C ATOM 734 NH1 ARG A 46 -4.668 -13.841 -12.760 1.00 10.00 N ATOM 735 NH2 ARG A 46 -5.005 -14.672 -10.646 1.00 10.00 N ATOM 0 H ARG A 46 -6.270 -8.510 -11.111 1.00 10.00 H new ATOM 0 HA ARG A 46 -5.607 -9.000 -13.062 1.00 10.00 H new ATOM 0 HB2 ARG A 46 -5.928 -11.263 -13.786 1.00 10.00 H new ATOM 0 HB3 ARG A 46 -5.854 -11.208 -12.036 1.00 10.00 H new ATOM 0 HG2 ARG A 46 -8.253 -11.579 -11.853 1.00 10.00 H new ATOM 0 HG3 ARG A 46 -8.464 -11.414 -13.585 1.00 10.00 H new ATOM 0 HD2 ARG A 46 -8.474 -13.776 -13.119 1.00 10.00 H new ATOM 0 HD3 ARG A 46 -6.943 -13.430 -13.898 1.00 10.00 H new ATOM 0 HE ARG A 46 -7.367 -14.081 -11.021 1.00 10.00 H new ATOM 0 HH11 ARG A 46 -5.031 -13.412 -13.611 1.00 10.00 H new ATOM 0 HH12 ARG A 46 -3.674 -14.053 -12.679 1.00 10.00 H new ATOM 0 HH21 ARG A 46 -5.627 -14.885 -9.866 1.00 10.00 H new ATOM 0 HH22 ARG A 46 -4.009 -14.880 -10.575 1.00 10.00 H new ATOM 749 N LYS A 47 -8.285 -7.989 -14.071 1.00 10.00 N ATOM 750 CA LYS A 47 -8.894 -7.205 -15.132 1.00 10.00 C ATOM 751 C LYS A 47 -9.125 -5.831 -14.524 1.00 10.00 C ATOM 752 O LYS A 47 -9.426 -5.760 -13.310 1.00 10.00 O ATOM 753 CB LYS A 47 -10.225 -7.821 -15.601 1.00 10.00 C ATOM 754 CG LYS A 47 -10.058 -9.180 -16.301 1.00 10.00 C ATOM 755 CD LYS A 47 -11.403 -9.702 -16.827 1.00 10.00 C ATOM 756 CE LYS A 47 -11.212 -11.065 -17.507 1.00 10.00 C ATOM 757 NZ LYS A 47 -12.485 -11.619 -18.031 1.00 10.00 N ATOM 758 OXT LYS A 47 -8.947 -4.834 -15.250 1.00 10.00 O ATOM 0 H LYS A 47 -8.693 -7.777 -13.161 1.00 10.00 H new ATOM 0 HA LYS A 47 -8.256 -7.167 -16.015 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -10.883 -7.943 -14.741 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -10.717 -7.128 -16.283 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -9.354 -9.082 -17.128 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -9.632 -9.902 -15.604 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -12.113 -9.794 -16.005 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -11.826 -8.990 -17.535 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -10.499 -10.963 -18.325 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -10.780 -11.767 -16.793 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -12.304 -12.539 -18.481 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -13.158 -11.743 -17.248 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -12.886 -10.964 -18.732 1.00 10.00 H new TER 772 LYS A 47