USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=14 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 Single : A 1 ALA N :NH3+ -169:sc= 1.23 (180deg=1.14) USER MOD Single : A 3 LYS NZ :NH3+ 164:sc= 1.28 (180deg=1.14) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0.729 USER MOD Single : A 9 ASN : amide:sc=-0.00648 K(o=-0.0065,f=-1) USER MOD Single : A 11 ASN : amide:sc= 1.14 K(o=1.1,f=-0.7) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00546) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 150:sc= 1.22 (180deg=0.509) 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= 0.00856 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 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 83:sc=-0.00637 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.498 -3.565 2.559 1.00 10.00 N ATOM 2 CA ALA A 1 -5.590 -4.719 2.400 1.00 10.00 C ATOM 3 C ALA A 1 -5.250 -4.911 0.920 1.00 10.00 C ATOM 4 O ALA A 1 -6.152 -5.061 0.090 1.00 10.00 O ATOM 5 CB ALA A 1 -6.190 -6.004 2.998 1.00 10.00 C ATOM 0 H1 ALA A 1 -6.578 -3.323 3.567 1.00 10.00 H new ATOM 0 H2 ALA A 1 -6.119 -2.750 2.036 1.00 10.00 H new ATOM 0 H3 ALA A 1 -7.438 -3.809 2.186 1.00 10.00 H new ATOM 0 HA ALA A 1 -4.673 -4.509 2.951 1.00 10.00 H new ATOM 0 HB1 ALA A 1 -5.492 -6.830 2.861 1.00 10.00 H new ATOM 0 HB2 ALA A 1 -6.375 -5.858 4.062 1.00 10.00 H new ATOM 0 HB3 ALA A 1 -7.129 -6.235 2.495 1.00 10.00 H new ATOM 13 N ILE A 2 -3.955 -4.906 0.580 1.00 10.00 N ATOM 14 CA ILE A 2 -3.480 -5.175 -0.778 1.00 10.00 C ATOM 15 C ILE A 2 -3.893 -6.574 -1.265 1.00 10.00 C ATOM 16 O ILE A 2 -4.231 -7.472 -0.487 1.00 10.00 O ATOM 17 CB ILE A 2 -1.949 -4.936 -0.908 1.00 10.00 C ATOM 18 CG1 ILE A 2 -1.054 -5.464 0.238 1.00 10.00 C ATOM 19 CG2 ILE A 2 -1.679 -3.431 -1.074 1.00 10.00 C ATOM 20 CD1 ILE A 2 -1.148 -6.971 0.492 1.00 10.00 C ATOM 0 H ILE A 2 -3.205 -4.714 1.245 1.00 10.00 H new ATOM 0 HA ILE A 2 -3.970 -4.459 -1.438 1.00 10.00 H new ATOM 0 HB ILE A 2 -1.668 -5.525 -1.781 1.00 10.00 H new ATOM 0 HG12 ILE A 2 -0.017 -5.213 0.014 1.00 10.00 H new ATOM 0 HG13 ILE A 2 -1.318 -4.939 1.156 1.00 10.00 H new ATOM 0 HG21 ILE A 2 -0.606 -3.262 -1.165 1.00 10.00 H new ATOM 0 HG22 ILE A 2 -2.181 -3.068 -1.971 1.00 10.00 H new ATOM 0 HG23 ILE A 2 -2.058 -2.895 -0.204 1.00 10.00 H new ATOM 0 HD11 ILE A 2 -0.485 -7.244 1.313 1.00 10.00 H new ATOM 0 HD12 ILE A 2 -2.174 -7.233 0.752 1.00 10.00 H new ATOM 0 HD13 ILE A 2 -0.853 -7.511 -0.408 1.00 10.00 H new ATOM 32 N LYS A 3 -3.808 -6.751 -2.579 1.00 10.00 N ATOM 33 CA LYS A 3 -3.937 -7.996 -3.320 1.00 10.00 C ATOM 34 C LYS A 3 -2.674 -8.101 -4.179 1.00 10.00 C ATOM 35 O LYS A 3 -1.965 -7.108 -4.384 1.00 10.00 O ATOM 36 CB LYS A 3 -5.208 -7.946 -4.197 1.00 10.00 C ATOM 37 CG LYS A 3 -6.513 -7.923 -3.379 1.00 10.00 C ATOM 38 CD LYS A 3 -7.728 -7.445 -4.195 1.00 10.00 C ATOM 39 CE LYS A 3 -8.028 -8.255 -5.465 1.00 10.00 C ATOM 40 NZ LYS A 3 -8.494 -9.638 -5.189 1.00 10.00 N ATOM 0 H LYS A 3 -3.633 -5.962 -3.202 1.00 10.00 H new ATOM 0 HA LYS A 3 -4.033 -8.862 -2.666 1.00 10.00 H new ATOM 0 HB2 LYS A 3 -5.169 -7.060 -4.831 1.00 10.00 H new ATOM 0 HB3 LYS A 3 -5.218 -8.811 -4.860 1.00 10.00 H new ATOM 0 HG2 LYS A 3 -6.712 -8.923 -2.995 1.00 10.00 H new ATOM 0 HG3 LYS A 3 -6.383 -7.270 -2.516 1.00 10.00 H new ATOM 0 HD2 LYS A 3 -8.608 -7.469 -3.553 1.00 10.00 H new ATOM 0 HD3 LYS A 3 -7.568 -6.404 -4.477 1.00 10.00 H new ATOM 0 HE2 LYS A 3 -8.787 -7.734 -6.048 1.00 10.00 H new ATOM 0 HE3 LYS A 3 -7.129 -8.299 -6.079 1.00 10.00 H new ATOM 0 HZ1 LYS A 3 -8.931 -10.035 -6.045 1.00 10.00 H new ATOM 0 HZ2 LYS A 3 -7.685 -10.228 -4.908 1.00 10.00 H new ATOM 0 HZ3 LYS A 3 -9.193 -9.622 -4.420 1.00 10.00 H new ATOM 54 N LEU A 4 -2.397 -9.294 -4.698 1.00 10.00 N ATOM 55 CA LEU A 4 -1.272 -9.559 -5.588 1.00 10.00 C ATOM 56 C LEU A 4 -1.872 -10.155 -6.852 1.00 10.00 C ATOM 57 O LEU A 4 -2.783 -10.983 -6.766 1.00 10.00 O ATOM 58 CB LEU A 4 -0.270 -10.533 -4.941 1.00 10.00 C ATOM 59 CG LEU A 4 0.384 -10.038 -3.635 1.00 10.00 C ATOM 60 CD1 LEU A 4 1.324 -11.116 -3.086 1.00 10.00 C ATOM 61 CD2 LEU A 4 1.172 -8.739 -3.826 1.00 10.00 C ATOM 0 H LEU A 4 -2.962 -10.122 -4.507 1.00 10.00 H new ATOM 0 HA LEU A 4 -0.715 -8.647 -5.803 1.00 10.00 H new ATOM 0 HB2 LEU A 4 -0.783 -11.473 -4.737 1.00 10.00 H new ATOM 0 HB3 LEU A 4 0.518 -10.750 -5.663 1.00 10.00 H new ATOM 0 HG LEU A 4 -0.424 -9.836 -2.932 1.00 10.00 H new ATOM 0 HD11 LEU A 4 1.784 -10.762 -2.163 1.00 10.00 H new ATOM 0 HD12 LEU A 4 0.757 -12.025 -2.884 1.00 10.00 H new ATOM 0 HD13 LEU A 4 2.101 -11.329 -3.820 1.00 10.00 H new ATOM 0 HD21 LEU A 4 1.611 -8.436 -2.875 1.00 10.00 H new ATOM 0 HD22 LEU A 4 1.965 -8.898 -4.557 1.00 10.00 H new ATOM 0 HD23 LEU A 4 0.502 -7.956 -4.182 1.00 10.00 H new ATOM 73 N VAL A 5 -1.395 -9.721 -8.019 1.00 10.00 N ATOM 74 CA VAL A 5 -2.037 -10.014 -9.299 1.00 10.00 C ATOM 75 C VAL A 5 -0.942 -10.270 -10.334 1.00 10.00 C ATOM 76 O VAL A 5 0.152 -9.708 -10.230 1.00 10.00 O ATOM 77 CB VAL A 5 -2.959 -8.840 -9.722 1.00 10.00 C ATOM 78 CG1 VAL A 5 -3.945 -9.288 -10.813 1.00 10.00 C ATOM 79 CG2 VAL A 5 -3.792 -8.233 -8.578 1.00 10.00 C ATOM 0 H VAL A 5 -0.550 -9.155 -8.103 1.00 10.00 H new ATOM 0 HA VAL A 5 -2.667 -10.900 -9.216 1.00 10.00 H new ATOM 0 HB VAL A 5 -2.271 -8.075 -10.080 1.00 10.00 H new ATOM 0 HG11 VAL A 5 -4.582 -8.449 -11.095 1.00 10.00 H new ATOM 0 HG12 VAL A 5 -3.390 -9.632 -11.686 1.00 10.00 H new ATOM 0 HG13 VAL A 5 -4.563 -10.101 -10.433 1.00 10.00 H new ATOM 0 HG21 VAL A 5 -4.405 -7.420 -8.966 1.00 10.00 H new ATOM 0 HG22 VAL A 5 -4.436 -9.001 -8.150 1.00 10.00 H new ATOM 0 HG23 VAL A 5 -3.125 -7.848 -7.807 1.00 10.00 H new ATOM 89 N GLN A 6 -1.242 -11.099 -11.338 1.00 10.00 N ATOM 90 CA GLN A 6 -0.378 -11.404 -12.470 1.00 10.00 C ATOM 91 C GLN A 6 -1.283 -11.503 -13.700 1.00 10.00 C ATOM 92 O GLN A 6 -2.333 -12.144 -13.613 1.00 10.00 O ATOM 93 CB GLN A 6 0.347 -12.747 -12.258 1.00 10.00 C ATOM 94 CG GLN A 6 1.108 -12.867 -10.928 1.00 10.00 C ATOM 95 CD GLN A 6 1.915 -14.165 -10.842 1.00 10.00 C ATOM 96 OE1 GLN A 6 1.392 -15.260 -11.039 1.00 10.00 O ATOM 97 NE2 GLN A 6 3.200 -14.081 -10.530 1.00 10.00 N ATOM 0 H GLN A 6 -2.133 -11.594 -11.381 1.00 10.00 H new ATOM 0 HA GLN A 6 0.381 -10.631 -12.588 1.00 10.00 H new ATOM 0 HB2 GLN A 6 -0.386 -13.552 -12.315 1.00 10.00 H new ATOM 0 HB3 GLN A 6 1.050 -12.897 -13.077 1.00 10.00 H new ATOM 0 HG2 GLN A 6 1.779 -12.015 -10.817 1.00 10.00 H new ATOM 0 HG3 GLN A 6 0.400 -12.825 -10.100 1.00 10.00 H new ATOM 0 HE21 GLN A 6 3.627 -13.169 -10.368 1.00 10.00 H new ATOM 0 HE22 GLN A 6 3.762 -14.928 -10.452 1.00 10.00 H new ATOM 106 N SER A 7 -0.906 -10.898 -14.828 1.00 10.00 N ATOM 107 CA SER A 7 -1.586 -11.080 -16.110 1.00 10.00 C ATOM 108 C SER A 7 -0.719 -10.474 -17.219 1.00 10.00 C ATOM 109 O SER A 7 -0.025 -9.488 -16.964 1.00 10.00 O ATOM 110 CB SER A 7 -2.957 -10.381 -16.101 1.00 10.00 C ATOM 111 OG SER A 7 -3.930 -11.200 -16.727 1.00 10.00 O ATOM 0 H SER A 7 -0.111 -10.261 -14.877 1.00 10.00 H new ATOM 0 HA SER A 7 -1.739 -12.145 -16.284 1.00 10.00 H new ATOM 0 HB2 SER A 7 -3.257 -10.167 -15.075 1.00 10.00 H new ATOM 0 HB3 SER A 7 -2.889 -9.425 -16.619 1.00 10.00 H new ATOM 0 HG SER A 7 -4.798 -10.745 -16.713 1.00 10.00 H new ATOM 117 N PRO A 8 -0.762 -10.978 -18.465 1.00 10.00 N ATOM 118 CA PRO A 8 -0.003 -10.385 -19.561 1.00 10.00 C ATOM 119 C PRO A 8 -0.523 -8.992 -19.947 1.00 10.00 C ATOM 120 O PRO A 8 0.243 -8.187 -20.477 1.00 10.00 O ATOM 121 CB PRO A 8 -0.107 -11.385 -20.717 1.00 10.00 C ATOM 122 CG PRO A 8 -1.414 -12.127 -20.443 1.00 10.00 C ATOM 123 CD PRO A 8 -1.485 -12.159 -18.917 1.00 10.00 C ATOM 0 HA PRO A 8 1.035 -10.214 -19.276 1.00 10.00 H new ATOM 0 HB2 PRO A 8 -0.129 -10.879 -21.682 1.00 10.00 H new ATOM 0 HB3 PRO A 8 0.744 -12.066 -20.734 1.00 10.00 H new ATOM 0 HG2 PRO A 8 -2.270 -11.608 -20.875 1.00 10.00 H new ATOM 0 HG3 PRO A 8 -1.403 -13.131 -20.867 1.00 10.00 H new ATOM 0 HD2 PRO A 8 -2.519 -12.141 -18.573 1.00 10.00 H new ATOM 0 HD3 PRO A 8 -1.034 -13.069 -18.523 1.00 10.00 H new ATOM 131 N ASN A 9 -1.803 -8.689 -19.684 1.00 10.00 N ATOM 132 CA ASN A 9 -2.411 -7.417 -20.082 1.00 10.00 C ATOM 133 C ASN A 9 -1.912 -6.236 -19.237 1.00 10.00 C ATOM 134 O ASN A 9 -1.803 -5.123 -19.751 1.00 10.00 O ATOM 135 CB ASN A 9 -3.941 -7.514 -19.995 1.00 10.00 C ATOM 136 CG ASN A 9 -4.597 -6.307 -20.661 1.00 10.00 C ATOM 137 OD1 ASN A 9 -4.923 -5.320 -20.014 1.00 10.00 O ATOM 138 ND2 ASN A 9 -4.804 -6.360 -21.967 1.00 10.00 N ATOM 0 H ASN A 9 -2.440 -9.316 -19.193 1.00 10.00 H new ATOM 0 HA ASN A 9 -2.110 -7.227 -21.112 1.00 10.00 H new ATOM 0 HB2 ASN A 9 -4.280 -8.431 -20.477 1.00 10.00 H new ATOM 0 HB3 ASN A 9 -4.248 -7.571 -18.951 1.00 10.00 H new ATOM 0 HD21 ASN A 9 -5.240 -5.572 -22.447 1.00 10.00 H new ATOM 0 HD22 ASN A 9 -4.528 -7.188 -22.494 1.00 10.00 H new ATOM 145 N GLY A 10 -1.591 -6.473 -17.956 1.00 10.00 N ATOM 146 CA GLY A 10 -1.116 -5.441 -17.031 1.00 10.00 C ATOM 147 C GLY A 10 -2.102 -4.286 -16.844 1.00 10.00 C ATOM 148 O GLY A 10 -1.664 -3.140 -16.730 1.00 10.00 O ATOM 0 H GLY A 10 -1.656 -7.398 -17.532 1.00 10.00 H new ATOM 0 HA2 GLY A 10 -0.916 -5.898 -16.062 1.00 10.00 H new ATOM 0 HA3 GLY A 10 -0.169 -5.044 -17.398 1.00 10.00 H new ATOM 152 N ASN A 11 -3.410 -4.570 -16.863 1.00 10.00 N ATOM 153 CA ASN A 11 -4.490 -3.582 -16.834 1.00 10.00 C ATOM 154 C ASN A 11 -4.368 -2.633 -15.633 1.00 10.00 C ATOM 155 O ASN A 11 -4.704 -3.003 -14.507 1.00 10.00 O ATOM 156 CB ASN A 11 -5.852 -4.294 -16.821 1.00 10.00 C ATOM 157 CG ASN A 11 -7.027 -3.327 -16.709 1.00 10.00 C ATOM 158 OD1 ASN A 11 -6.943 -2.156 -17.070 1.00 10.00 O ATOM 159 ND2 ASN A 11 -8.158 -3.804 -16.220 1.00 10.00 N ATOM 0 H ASN A 11 -3.755 -5.529 -16.900 1.00 10.00 H new ATOM 0 HA ASN A 11 -4.409 -2.974 -17.735 1.00 10.00 H new ATOM 0 HB2 ASN A 11 -5.958 -4.882 -17.733 1.00 10.00 H new ATOM 0 HB3 ASN A 11 -5.883 -4.993 -15.985 1.00 10.00 H new ATOM 0 HD21 ASN A 11 -8.974 -3.198 -16.139 1.00 10.00 H new ATOM 0 HD22 ASN A 11 -8.215 -4.778 -15.924 1.00 10.00 H new ATOM 166 N PHE A 12 -3.889 -1.410 -15.873 1.00 10.00 N ATOM 167 CA PHE A 12 -3.823 -0.359 -14.867 1.00 10.00 C ATOM 168 C PHE A 12 -5.249 0.112 -14.550 1.00 10.00 C ATOM 169 O PHE A 12 -5.934 0.650 -15.424 1.00 10.00 O ATOM 170 CB PHE A 12 -2.929 0.782 -15.374 1.00 10.00 C ATOM 171 CG PHE A 12 -2.974 2.050 -14.541 1.00 10.00 C ATOM 172 CD1 PHE A 12 -2.277 2.132 -13.319 1.00 10.00 C ATOM 173 CD2 PHE A 12 -3.709 3.162 -14.997 1.00 10.00 C ATOM 174 CE1 PHE A 12 -2.321 3.315 -12.561 1.00 10.00 C ATOM 175 CE2 PHE A 12 -3.743 4.346 -14.242 1.00 10.00 C ATOM 176 CZ PHE A 12 -3.050 4.425 -13.022 1.00 10.00 C ATOM 0 H PHE A 12 -3.533 -1.123 -16.785 1.00 10.00 H new ATOM 0 HA PHE A 12 -3.378 -0.731 -13.944 1.00 10.00 H new ATOM 0 HB2 PHE A 12 -1.899 0.427 -15.413 1.00 10.00 H new ATOM 0 HB3 PHE A 12 -3.221 1.026 -16.396 1.00 10.00 H new ATOM 0 HD1 PHE A 12 -1.708 1.285 -12.964 1.00 10.00 H new ATOM 0 HD2 PHE A 12 -4.248 3.104 -15.931 1.00 10.00 H new ATOM 0 HE1 PHE A 12 -1.793 3.371 -11.621 1.00 10.00 H new ATOM 0 HE2 PHE A 12 -4.303 5.197 -14.600 1.00 10.00 H new ATOM 0 HZ PHE A 12 -3.077 5.335 -12.441 1.00 10.00 H new ATOM 186 N ALA A 13 -5.695 -0.092 -13.306 1.00 10.00 N ATOM 187 CA ALA A 13 -7.069 0.173 -12.874 1.00 10.00 C ATOM 188 C ALA A 13 -7.244 1.524 -12.156 1.00 10.00 C ATOM 189 O ALA A 13 -8.381 1.910 -11.893 1.00 10.00 O ATOM 190 CB ALA A 13 -7.527 -0.976 -11.967 1.00 10.00 C ATOM 0 H ALA A 13 -5.100 -0.452 -12.559 1.00 10.00 H new ATOM 0 HA ALA A 13 -7.687 0.235 -13.770 1.00 10.00 H new ATOM 0 HB1 ALA A 13 -8.550 -0.793 -11.637 1.00 10.00 H new ATOM 0 HB2 ALA A 13 -7.487 -1.914 -12.520 1.00 10.00 H new ATOM 0 HB3 ALA A 13 -6.871 -1.038 -11.099 1.00 10.00 H new ATOM 196 N ALA A 14 -6.150 2.239 -11.860 1.00 10.00 N ATOM 197 CA ALA A 14 -6.053 3.438 -11.019 1.00 10.00 C ATOM 198 C ALA A 14 -6.675 3.302 -9.618 1.00 10.00 C ATOM 199 O ALA A 14 -5.932 3.242 -8.636 1.00 10.00 O ATOM 200 CB ALA A 14 -6.580 4.674 -11.765 1.00 10.00 C ATOM 0 H ALA A 14 -5.239 1.972 -12.232 1.00 10.00 H new ATOM 0 HA ALA A 14 -4.989 3.570 -10.825 1.00 10.00 H new ATOM 0 HB1 ALA A 14 -6.498 5.550 -11.121 1.00 10.00 H new ATOM 0 HB2 ALA A 14 -5.992 4.832 -12.669 1.00 10.00 H new ATOM 0 HB3 ALA A 14 -7.625 4.518 -12.034 1.00 10.00 H new ATOM 206 N SER A 15 -8.001 3.262 -9.496 1.00 10.00 N ATOM 207 CA SER A 15 -8.724 3.259 -8.228 1.00 10.00 C ATOM 208 C SER A 15 -10.187 2.847 -8.438 1.00 10.00 C ATOM 209 O SER A 15 -10.687 2.851 -9.567 1.00 10.00 O ATOM 210 CB SER A 15 -8.624 4.648 -7.564 1.00 10.00 C ATOM 211 OG SER A 15 -8.870 5.705 -8.483 1.00 10.00 O ATOM 0 H SER A 15 -8.621 3.230 -10.305 1.00 10.00 H new ATOM 0 HA SER A 15 -8.269 2.526 -7.562 1.00 10.00 H new ATOM 0 HB2 SER A 15 -9.340 4.709 -6.744 1.00 10.00 H new ATOM 0 HB3 SER A 15 -7.631 4.770 -7.130 1.00 10.00 H new ATOM 0 HG SER A 15 -8.798 6.565 -8.019 1.00 10.00 H new ATOM 217 N PHE A 16 -10.873 2.488 -7.348 1.00 10.00 N ATOM 218 CA PHE A 16 -12.272 2.067 -7.319 1.00 10.00 C ATOM 219 C PHE A 16 -12.816 2.276 -5.898 1.00 10.00 C ATOM 220 O PHE A 16 -12.057 2.593 -4.978 1.00 10.00 O ATOM 221 CB PHE A 16 -12.352 0.587 -7.742 1.00 10.00 C ATOM 222 CG PHE A 16 -13.741 0.016 -7.970 1.00 10.00 C ATOM 223 CD1 PHE A 16 -14.605 0.605 -8.915 1.00 10.00 C ATOM 224 CD2 PHE A 16 -14.155 -1.135 -7.271 1.00 10.00 C ATOM 225 CE1 PHE A 16 -15.879 0.055 -9.145 1.00 10.00 C ATOM 226 CE2 PHE A 16 -15.426 -1.689 -7.509 1.00 10.00 C ATOM 227 CZ PHE A 16 -16.290 -1.092 -8.443 1.00 10.00 C ATOM 0 H PHE A 16 -10.446 2.484 -6.422 1.00 10.00 H new ATOM 0 HA PHE A 16 -12.876 2.654 -8.010 1.00 10.00 H new ATOM 0 HB2 PHE A 16 -11.779 0.464 -8.661 1.00 10.00 H new ATOM 0 HB3 PHE A 16 -11.859 -0.013 -6.977 1.00 10.00 H new ATOM 0 HD1 PHE A 16 -14.288 1.480 -9.463 1.00 10.00 H new ATOM 0 HD2 PHE A 16 -13.494 -1.594 -6.550 1.00 10.00 H new ATOM 0 HE1 PHE A 16 -16.543 0.515 -9.862 1.00 10.00 H new ATOM 0 HE2 PHE A 16 -15.738 -2.574 -6.974 1.00 10.00 H new ATOM 0 HZ PHE A 16 -17.268 -1.514 -8.621 1.00 10.00 H new ATOM 237 N VAL A 17 -14.116 2.061 -5.694 1.00 10.00 N ATOM 238 CA VAL A 17 -14.756 2.057 -4.383 1.00 10.00 C ATOM 239 C VAL A 17 -15.719 0.866 -4.393 1.00 10.00 C ATOM 240 O VAL A 17 -16.444 0.667 -5.371 1.00 10.00 O ATOM 241 CB VAL A 17 -15.470 3.402 -4.108 1.00 10.00 C ATOM 242 CG1 VAL A 17 -16.096 3.432 -2.702 1.00 10.00 C ATOM 243 CG2 VAL A 17 -14.521 4.609 -4.220 1.00 10.00 C ATOM 0 H VAL A 17 -14.768 1.880 -6.457 1.00 10.00 H new ATOM 0 HA VAL A 17 -14.032 1.952 -3.575 1.00 10.00 H new ATOM 0 HB VAL A 17 -16.244 3.478 -4.872 1.00 10.00 H new ATOM 0 HG11 VAL A 17 -16.589 4.391 -2.544 1.00 10.00 H new ATOM 0 HG12 VAL A 17 -16.828 2.629 -2.612 1.00 10.00 H new ATOM 0 HG13 VAL A 17 -15.315 3.297 -1.953 1.00 10.00 H new ATOM 0 HG21 VAL A 17 -15.074 5.526 -4.018 1.00 10.00 H new ATOM 0 HG22 VAL A 17 -13.713 4.505 -3.496 1.00 10.00 H new ATOM 0 HG23 VAL A 17 -14.103 4.651 -5.226 1.00 10.00 H new ATOM 253 N LEU A 18 -15.709 0.064 -3.327 1.00 10.00 N ATOM 254 CA LEU A 18 -16.445 -1.193 -3.221 1.00 10.00 C ATOM 255 C LEU A 18 -16.906 -1.294 -1.773 1.00 10.00 C ATOM 256 O LEU A 18 -16.073 -1.265 -0.865 1.00 10.00 O ATOM 257 CB LEU A 18 -15.514 -2.358 -3.622 1.00 10.00 C ATOM 258 CG LEU A 18 -16.191 -3.701 -3.961 1.00 10.00 C ATOM 259 CD1 LEU A 18 -15.113 -4.682 -4.440 1.00 10.00 C ATOM 260 CD2 LEU A 18 -16.940 -4.342 -2.787 1.00 10.00 C ATOM 0 H LEU A 18 -15.171 0.280 -2.488 1.00 10.00 H new ATOM 0 HA LEU A 18 -17.308 -1.236 -3.885 1.00 10.00 H new ATOM 0 HB2 LEU A 18 -14.929 -2.044 -4.487 1.00 10.00 H new ATOM 0 HB3 LEU A 18 -14.811 -2.528 -2.807 1.00 10.00 H new ATOM 0 HG LEU A 18 -16.935 -3.489 -4.728 1.00 10.00 H new ATOM 0 HD11 LEU A 18 -15.574 -5.639 -4.685 1.00 10.00 H new ATOM 0 HD12 LEU A 18 -14.622 -4.279 -5.326 1.00 10.00 H new ATOM 0 HD13 LEU A 18 -14.376 -4.826 -3.650 1.00 10.00 H new ATOM 0 HD21 LEU A 18 -17.387 -5.282 -3.110 1.00 10.00 H new ATOM 0 HD22 LEU A 18 -16.243 -4.533 -1.971 1.00 10.00 H new ATOM 0 HD23 LEU A 18 -17.724 -3.667 -2.444 1.00 10.00 H new ATOM 272 N ASP A 19 -18.223 -1.380 -1.567 1.00 10.00 N ATOM 273 CA ASP A 19 -18.886 -1.477 -0.260 1.00 10.00 C ATOM 274 C ASP A 19 -18.360 -0.443 0.751 1.00 10.00 C ATOM 275 O ASP A 19 -18.079 -0.745 1.913 1.00 10.00 O ATOM 276 CB ASP A 19 -18.861 -2.928 0.250 1.00 10.00 C ATOM 277 CG ASP A 19 -19.707 -3.119 1.523 1.00 10.00 C ATOM 278 OD1 ASP A 19 -20.849 -2.609 1.590 1.00 10.00 O ATOM 279 OD2 ASP A 19 -19.264 -3.840 2.446 1.00 10.00 O ATOM 0 H ASP A 19 -18.888 -1.384 -2.341 1.00 10.00 H new ATOM 0 HA ASP A 19 -19.935 -1.211 -0.388 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -19.231 -3.591 -0.532 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -17.831 -3.220 0.455 1.00 10.00 H new ATOM 284 N GLY A 20 -18.178 0.796 0.280 1.00 10.00 N ATOM 285 CA GLY A 20 -17.768 1.933 1.101 1.00 10.00 C ATOM 286 C GLY A 20 -16.276 1.946 1.449 1.00 10.00 C ATOM 287 O GLY A 20 -15.837 2.844 2.169 1.00 10.00 O ATOM 0 H GLY A 20 -18.315 1.037 -0.702 1.00 10.00 H new ATOM 0 HA2 GLY A 20 -18.016 2.855 0.576 1.00 10.00 H new ATOM 0 HA3 GLY A 20 -18.346 1.928 2.025 1.00 10.00 H new ATOM 291 N THR A 21 -15.491 0.991 0.945 1.00 10.00 N ATOM 292 CA THR A 21 -14.040 0.959 1.093 1.00 10.00 C ATOM 293 C THR A 21 -13.452 1.494 -0.216 1.00 10.00 C ATOM 294 O THR A 21 -13.938 1.138 -1.293 1.00 10.00 O ATOM 295 CB THR A 21 -13.615 -0.492 1.393 1.00 10.00 C ATOM 296 OG1 THR A 21 -14.326 -0.986 2.517 1.00 10.00 O ATOM 297 CG2 THR A 21 -12.119 -0.632 1.691 1.00 10.00 C ATOM 0 H THR A 21 -15.858 0.203 0.412 1.00 10.00 H new ATOM 0 HA THR A 21 -13.678 1.575 1.916 1.00 10.00 H new ATOM 0 HB THR A 21 -13.842 -1.062 0.492 1.00 10.00 H new ATOM 0 HG1 THR A 21 -14.050 -1.909 2.699 1.00 10.00 H new ATOM 0 HG21 THR A 21 -11.885 -1.677 1.894 1.00 10.00 H new ATOM 0 HG22 THR A 21 -11.543 -0.291 0.830 1.00 10.00 H new ATOM 0 HG23 THR A 21 -11.863 -0.027 2.561 1.00 10.00 H new ATOM 305 N LYS A 22 -12.434 2.359 -0.146 1.00 10.00 N ATOM 306 CA LYS A 22 -11.717 2.838 -1.329 1.00 10.00 C ATOM 307 C LYS A 22 -10.579 1.867 -1.649 1.00 10.00 C ATOM 308 O LYS A 22 -10.014 1.244 -0.747 1.00 10.00 O ATOM 309 CB LYS A 22 -11.213 4.273 -1.088 1.00 10.00 C ATOM 310 CG LYS A 22 -10.582 4.898 -2.346 1.00 10.00 C ATOM 311 CD LYS A 22 -10.301 6.393 -2.155 1.00 10.00 C ATOM 312 CE LYS A 22 -9.676 6.973 -3.432 1.00 10.00 C ATOM 313 NZ LYS A 22 -9.420 8.431 -3.319 1.00 10.00 N ATOM 0 H LYS A 22 -12.086 2.745 0.732 1.00 10.00 H new ATOM 0 HA LYS A 22 -12.381 2.872 -2.192 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -12.044 4.895 -0.756 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -10.478 4.266 -0.283 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -9.653 4.380 -2.583 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -11.250 4.759 -3.196 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -11.226 6.919 -1.921 1.00 10.00 H new ATOM 0 HD3 LYS A 22 -9.628 6.541 -1.310 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -8.739 6.457 -3.643 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -10.340 6.787 -4.276 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -8.998 8.779 -4.204 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -10.316 8.928 -3.144 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -8.766 8.608 -2.530 1.00 10.00 H new ATOM 327 N TRP A 23 -10.231 1.773 -2.927 1.00 10.00 N ATOM 328 CA TRP A 23 -9.277 0.831 -3.489 1.00 10.00 C ATOM 329 C TRP A 23 -8.420 1.632 -4.488 1.00 10.00 C ATOM 330 O TRP A 23 -8.954 2.512 -5.169 1.00 10.00 O ATOM 331 CB TRP A 23 -10.101 -0.314 -4.118 1.00 10.00 C ATOM 332 CG TRP A 23 -10.879 -1.170 -3.156 1.00 10.00 C ATOM 333 CD1 TRP A 23 -12.125 -0.896 -2.719 1.00 10.00 C ATOM 334 CD2 TRP A 23 -10.514 -2.434 -2.507 1.00 10.00 C ATOM 335 NE1 TRP A 23 -12.530 -1.843 -1.804 1.00 10.00 N ATOM 336 CE2 TRP A 23 -11.581 -2.827 -1.640 1.00 10.00 C ATOM 337 CE3 TRP A 23 -9.404 -3.306 -2.564 1.00 10.00 C ATOM 338 CZ2 TRP A 23 -11.532 -3.996 -0.864 1.00 10.00 C ATOM 339 CZ3 TRP A 23 -9.338 -4.479 -1.791 1.00 10.00 C ATOM 340 CH2 TRP A 23 -10.400 -4.826 -0.937 1.00 10.00 C ATOM 0 H TRP A 23 -10.631 2.387 -3.636 1.00 10.00 H new ATOM 0 HA TRP A 23 -8.597 0.373 -2.771 1.00 10.00 H new ATOM 0 HB2 TRP A 23 -10.799 0.118 -4.835 1.00 10.00 H new ATOM 0 HB3 TRP A 23 -9.423 -0.957 -4.680 1.00 10.00 H new ATOM 0 HD1 TRP A 23 -12.720 -0.054 -3.040 1.00 10.00 H new ATOM 0 HE1 TRP A 23 -13.422 -1.818 -1.310 1.00 10.00 H new ATOM 0 HE3 TRP A 23 -8.581 -3.065 -3.221 1.00 10.00 H new ATOM 0 HZ2 TRP A 23 -12.357 -4.255 -0.217 1.00 10.00 H new ATOM 0 HZ3 TRP A 23 -8.468 -5.116 -1.854 1.00 10.00 H new ATOM 0 HH2 TRP A 23 -10.346 -5.725 -0.341 1.00 10.00 H new ATOM 351 N ILE A 24 -7.103 1.402 -4.558 1.00 10.00 N ATOM 352 CA ILE A 24 -6.143 2.244 -5.279 1.00 10.00 C ATOM 353 C ILE A 24 -4.896 1.448 -5.718 1.00 10.00 C ATOM 354 O ILE A 24 -4.567 0.403 -5.155 1.00 10.00 O ATOM 355 CB ILE A 24 -5.810 3.479 -4.398 1.00 10.00 C ATOM 356 CG1 ILE A 24 -5.023 4.552 -5.184 1.00 10.00 C ATOM 357 CG2 ILE A 24 -5.095 3.091 -3.087 1.00 10.00 C ATOM 358 CD1 ILE A 24 -4.977 5.918 -4.488 1.00 10.00 C ATOM 0 H ILE A 24 -6.664 0.602 -4.101 1.00 10.00 H new ATOM 0 HA ILE A 24 -6.585 2.598 -6.210 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.764 3.922 -4.113 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -4.003 4.200 -5.341 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.474 4.671 -6.169 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -4.884 3.990 -2.508 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -5.735 2.427 -2.506 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -4.160 2.582 -3.320 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -4.408 6.619 -5.099 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -5.992 6.293 -4.355 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -4.498 5.814 -3.514 1.00 10.00 H new ATOM 370 N PHE A 25 -4.204 1.934 -6.750 1.00 10.00 N ATOM 371 CA PHE A 25 -2.909 1.445 -7.224 1.00 10.00 C ATOM 372 C PHE A 25 -1.829 1.493 -6.132 1.00 10.00 C ATOM 373 O PHE A 25 -1.893 2.326 -5.222 1.00 10.00 O ATOM 374 CB PHE A 25 -2.520 2.305 -8.443 1.00 10.00 C ATOM 375 CG PHE A 25 -1.144 2.067 -9.044 1.00 10.00 C ATOM 376 CD1 PHE A 25 -0.756 0.779 -9.459 1.00 10.00 C ATOM 377 CD2 PHE A 25 -0.259 3.147 -9.229 1.00 10.00 C ATOM 378 CE1 PHE A 25 0.494 0.573 -10.065 1.00 10.00 C ATOM 379 CE2 PHE A 25 0.996 2.940 -9.830 1.00 10.00 C ATOM 380 CZ PHE A 25 1.372 1.653 -10.251 1.00 10.00 C ATOM 0 H PHE A 25 -4.549 2.718 -7.305 1.00 10.00 H new ATOM 0 HA PHE A 25 -2.989 0.394 -7.502 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -3.263 2.142 -9.223 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -2.586 3.354 -8.153 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -1.424 -0.056 -9.310 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -0.545 4.138 -8.908 1.00 10.00 H new ATOM 0 HE1 PHE A 25 0.780 -0.417 -10.388 1.00 10.00 H new ATOM 0 HE2 PHE A 25 1.671 3.771 -9.968 1.00 10.00 H new ATOM 0 HZ PHE A 25 2.334 1.495 -10.716 1.00 10.00 H new ATOM 390 N LYS A 26 -0.796 0.644 -6.262 1.00 10.00 N ATOM 391 CA LYS A 26 0.426 0.718 -5.460 1.00 10.00 C ATOM 392 C LYS A 26 1.640 0.529 -6.380 1.00 10.00 C ATOM 393 O LYS A 26 2.355 1.512 -6.585 1.00 10.00 O ATOM 394 CB LYS A 26 0.344 -0.265 -4.270 1.00 10.00 C ATOM 395 CG LYS A 26 1.235 0.081 -3.065 1.00 10.00 C ATOM 396 CD LYS A 26 2.739 -0.086 -3.330 1.00 10.00 C ATOM 397 CE LYS A 26 3.599 0.155 -2.079 1.00 10.00 C ATOM 398 NZ LYS A 26 3.450 -0.904 -1.047 1.00 10.00 N ATOM 0 H LYS A 26 -0.791 -0.121 -6.937 1.00 10.00 H new ATOM 0 HA LYS A 26 0.544 1.700 -5.002 1.00 10.00 H new ATOM 0 HB2 LYS A 26 -0.691 -0.314 -3.932 1.00 10.00 H new ATOM 0 HB3 LYS A 26 0.612 -1.261 -4.624 1.00 10.00 H new ATOM 0 HG2 LYS A 26 1.041 1.112 -2.767 1.00 10.00 H new ATOM 0 HG3 LYS A 26 0.952 -0.552 -2.224 1.00 10.00 H new ATOM 0 HD2 LYS A 26 2.927 -1.092 -3.705 1.00 10.00 H new ATOM 0 HD3 LYS A 26 3.044 0.608 -4.113 1.00 10.00 H new ATOM 0 HE2 LYS A 26 4.646 0.219 -2.374 1.00 10.00 H new ATOM 0 HE3 LYS A 26 3.331 1.117 -1.643 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 4.093 -0.708 -0.253 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 2.469 -0.917 -0.702 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 3.684 -1.829 -1.462 1.00 10.00 H new ATOM 412 N SER A 27 1.838 -0.648 -6.992 1.00 10.00 N ATOM 413 CA SER A 27 2.987 -0.917 -7.867 1.00 10.00 C ATOM 414 C SER A 27 2.649 -1.956 -8.943 1.00 10.00 C ATOM 415 O SER A 27 1.856 -2.866 -8.703 1.00 10.00 O ATOM 416 CB SER A 27 4.166 -1.455 -7.037 1.00 10.00 C ATOM 417 OG SER A 27 4.553 -0.563 -6.006 1.00 10.00 O ATOM 0 H SER A 27 1.204 -1.441 -6.893 1.00 10.00 H new ATOM 0 HA SER A 27 3.251 0.024 -8.350 1.00 10.00 H new ATOM 0 HB2 SER A 27 3.891 -2.414 -6.599 1.00 10.00 H new ATOM 0 HB3 SER A 27 5.016 -1.637 -7.694 1.00 10.00 H new ATOM 0 HG SER A 27 5.303 -0.947 -5.505 1.00 10.00 H new ATOM 423 N LYS A 28 3.314 -1.879 -10.101 1.00 10.00 N ATOM 424 CA LYS A 28 3.300 -2.914 -11.140 1.00 10.00 C ATOM 425 C LYS A 28 4.697 -3.011 -11.752 1.00 10.00 C ATOM 426 O LYS A 28 5.419 -2.011 -11.781 1.00 10.00 O ATOM 427 CB LYS A 28 2.210 -2.644 -12.203 1.00 10.00 C ATOM 428 CG LYS A 28 2.335 -1.291 -12.933 1.00 10.00 C ATOM 429 CD LYS A 28 1.245 -1.059 -13.996 1.00 10.00 C ATOM 430 CE LYS A 28 1.547 -1.838 -15.287 1.00 10.00 C ATOM 431 NZ LYS A 28 0.607 -1.526 -16.392 1.00 10.00 N ATOM 0 H LYS A 28 3.891 -1.075 -10.347 1.00 10.00 H new ATOM 0 HA LYS A 28 3.043 -3.875 -10.694 1.00 10.00 H new ATOM 0 HB2 LYS A 28 2.239 -3.444 -12.943 1.00 10.00 H new ATOM 0 HB3 LYS A 28 1.234 -2.691 -11.721 1.00 10.00 H new ATOM 0 HG2 LYS A 28 2.291 -0.487 -12.199 1.00 10.00 H new ATOM 0 HG3 LYS A 28 3.313 -1.234 -13.410 1.00 10.00 H new ATOM 0 HD2 LYS A 28 0.277 -1.368 -13.601 1.00 10.00 H new ATOM 0 HD3 LYS A 28 1.173 0.005 -14.220 1.00 10.00 H new ATOM 0 HE2 LYS A 28 2.564 -1.614 -15.609 1.00 10.00 H new ATOM 0 HE3 LYS A 28 1.508 -2.907 -15.076 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 1.095 -1.636 -17.304 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -0.204 -2.176 -16.352 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 0.270 -0.547 -16.295 1.00 10.00 H new ATOM 445 N TYR A 29 5.076 -4.190 -12.240 1.00 10.00 N ATOM 446 CA TYR A 29 6.339 -4.446 -12.927 1.00 10.00 C ATOM 447 C TYR A 29 6.137 -5.596 -13.914 1.00 10.00 C ATOM 448 O TYR A 29 5.240 -6.422 -13.730 1.00 10.00 O ATOM 449 CB TYR A 29 7.453 -4.772 -11.916 1.00 10.00 C ATOM 450 CG TYR A 29 7.282 -6.058 -11.118 1.00 10.00 C ATOM 451 CD1 TYR A 29 6.555 -6.054 -9.911 1.00 10.00 C ATOM 452 CD2 TYR A 29 7.890 -7.249 -11.561 1.00 10.00 C ATOM 453 CE1 TYR A 29 6.449 -7.227 -9.141 1.00 10.00 C ATOM 454 CE2 TYR A 29 7.786 -8.427 -10.800 1.00 10.00 C ATOM 455 CZ TYR A 29 7.074 -8.419 -9.579 1.00 10.00 C ATOM 456 OH TYR A 29 7.013 -9.557 -8.832 1.00 10.00 O ATOM 0 H TYR A 29 4.491 -5.022 -12.165 1.00 10.00 H new ATOM 0 HA TYR A 29 6.648 -3.554 -13.472 1.00 10.00 H new ATOM 0 HB2 TYR A 29 8.399 -4.826 -12.455 1.00 10.00 H new ATOM 0 HB3 TYR A 29 7.533 -3.942 -11.214 1.00 10.00 H new ATOM 0 HD1 TYR A 29 6.077 -5.146 -9.575 1.00 10.00 H new ATOM 0 HD2 TYR A 29 8.439 -7.257 -12.491 1.00 10.00 H new ATOM 0 HE1 TYR A 29 5.891 -7.218 -8.216 1.00 10.00 H new ATOM 0 HE2 TYR A 29 8.250 -9.338 -11.149 1.00 10.00 H new ATOM 0 HH TYR A 29 7.498 -10.275 -9.290 1.00 10.00 H new ATOM 466 N TYR A 30 6.952 -5.658 -14.968 1.00 10.00 N ATOM 467 CA TYR A 30 6.915 -6.771 -15.905 1.00 10.00 C ATOM 468 C TYR A 30 7.875 -7.838 -15.390 1.00 10.00 C ATOM 469 O TYR A 30 9.063 -7.567 -15.198 1.00 10.00 O ATOM 470 CB TYR A 30 7.263 -6.300 -17.321 1.00 10.00 C ATOM 471 CG TYR A 30 6.925 -7.329 -18.383 1.00 10.00 C ATOM 472 CD1 TYR A 30 5.591 -7.476 -18.808 1.00 10.00 C ATOM 473 CD2 TYR A 30 7.931 -8.136 -18.946 1.00 10.00 C ATOM 474 CE1 TYR A 30 5.258 -8.409 -19.806 1.00 10.00 C ATOM 475 CE2 TYR A 30 7.607 -9.073 -19.944 1.00 10.00 C ATOM 476 CZ TYR A 30 6.271 -9.209 -20.383 1.00 10.00 C ATOM 477 OH TYR A 30 5.978 -10.106 -21.366 1.00 10.00 O ATOM 0 H TYR A 30 7.647 -4.945 -15.191 1.00 10.00 H new ATOM 0 HA TYR A 30 5.913 -7.194 -15.970 1.00 10.00 H new ATOM 0 HB2 TYR A 30 6.726 -5.376 -17.534 1.00 10.00 H new ATOM 0 HB3 TYR A 30 8.327 -6.069 -17.371 1.00 10.00 H new ATOM 0 HD1 TYR A 30 4.817 -6.867 -18.364 1.00 10.00 H new ATOM 0 HD2 TYR A 30 8.953 -8.036 -18.612 1.00 10.00 H new ATOM 0 HE1 TYR A 30 4.233 -8.514 -20.130 1.00 10.00 H new ATOM 0 HE2 TYR A 30 8.381 -9.690 -20.376 1.00 10.00 H new ATOM 0 HH TYR A 30 6.797 -10.566 -21.644 1.00 10.00 H new ATOM 487 N ASP A 31 7.366 -9.040 -15.130 1.00 10.00 N ATOM 488 CA ASP A 31 8.176 -10.192 -14.763 1.00 10.00 C ATOM 489 C ASP A 31 8.677 -10.816 -16.060 1.00 10.00 C ATOM 490 O ASP A 31 8.034 -11.700 -16.631 1.00 10.00 O ATOM 491 CB ASP A 31 7.381 -11.184 -13.902 1.00 10.00 C ATOM 492 CG ASP A 31 8.253 -12.343 -13.382 1.00 10.00 C ATOM 493 OD1 ASP A 31 9.240 -12.731 -14.045 1.00 10.00 O ATOM 494 OD2 ASP A 31 7.957 -12.850 -12.276 1.00 10.00 O ATOM 0 H ASP A 31 6.367 -9.241 -15.170 1.00 10.00 H new ATOM 0 HA ASP A 31 9.023 -9.892 -14.147 1.00 10.00 H new ATOM 0 HB2 ASP A 31 6.942 -10.655 -13.056 1.00 10.00 H new ATOM 0 HB3 ASP A 31 6.556 -11.589 -14.488 1.00 10.00 H new ATOM 499 N SER A 32 9.798 -10.308 -16.572 1.00 10.00 N ATOM 500 CA SER A 32 10.397 -10.761 -17.821 1.00 10.00 C ATOM 501 C SER A 32 10.725 -12.262 -17.813 1.00 10.00 C ATOM 502 O SER A 32 10.724 -12.892 -18.872 1.00 10.00 O ATOM 503 CB SER A 32 11.661 -9.935 -18.093 1.00 10.00 C ATOM 504 OG SER A 32 11.415 -8.548 -17.902 1.00 10.00 O ATOM 0 H SER A 32 10.322 -9.558 -16.121 1.00 10.00 H new ATOM 0 HA SER A 32 9.668 -10.612 -18.618 1.00 10.00 H new ATOM 0 HB2 SER A 32 12.462 -10.261 -17.429 1.00 10.00 H new ATOM 0 HB3 SER A 32 12.002 -10.110 -19.114 1.00 10.00 H new ATOM 0 HG SER A 32 12.236 -8.043 -18.080 1.00 10.00 H new ATOM 510 N SER A 33 10.982 -12.850 -16.639 1.00 10.00 N ATOM 511 CA SER A 33 11.296 -14.266 -16.499 1.00 10.00 C ATOM 512 C SER A 33 10.062 -15.146 -16.744 1.00 10.00 C ATOM 513 O SER A 33 10.215 -16.293 -17.170 1.00 10.00 O ATOM 514 CB SER A 33 11.883 -14.526 -15.103 1.00 10.00 C ATOM 515 OG SER A 33 12.915 -13.594 -14.802 1.00 10.00 O ATOM 0 H SER A 33 10.976 -12.345 -15.753 1.00 10.00 H new ATOM 0 HA SER A 33 12.034 -14.532 -17.255 1.00 10.00 H new ATOM 0 HB2 SER A 33 11.094 -14.455 -14.354 1.00 10.00 H new ATOM 0 HB3 SER A 33 12.279 -15.540 -15.054 1.00 10.00 H new ATOM 0 HG SER A 33 13.272 -13.778 -13.908 1.00 10.00 H new ATOM 521 N LYS A 34 8.845 -14.631 -16.515 1.00 10.00 N ATOM 522 CA LYS A 34 7.592 -15.367 -16.727 1.00 10.00 C ATOM 523 C LYS A 34 6.801 -14.832 -17.925 1.00 10.00 C ATOM 524 O LYS A 34 5.950 -15.552 -18.451 1.00 10.00 O ATOM 525 CB LYS A 34 6.733 -15.317 -15.455 1.00 10.00 C ATOM 526 CG LYS A 34 7.344 -15.927 -14.177 1.00 10.00 C ATOM 527 CD LYS A 34 7.472 -17.461 -14.165 1.00 10.00 C ATOM 528 CE LYS A 34 8.771 -17.968 -14.812 1.00 10.00 C ATOM 529 NZ LYS A 34 8.924 -19.440 -14.684 1.00 10.00 N ATOM 0 H LYS A 34 8.703 -13.681 -16.173 1.00 10.00 H new ATOM 0 HA LYS A 34 7.853 -16.402 -16.950 1.00 10.00 H new ATOM 0 HB2 LYS A 34 6.490 -14.274 -15.251 1.00 10.00 H new ATOM 0 HB3 LYS A 34 5.793 -15.829 -15.660 1.00 10.00 H new ATOM 0 HG2 LYS A 34 8.335 -15.497 -14.029 1.00 10.00 H new ATOM 0 HG3 LYS A 34 6.735 -15.625 -13.325 1.00 10.00 H new ATOM 0 HD2 LYS A 34 7.425 -17.814 -13.135 1.00 10.00 H new ATOM 0 HD3 LYS A 34 6.620 -17.894 -14.689 1.00 10.00 H new ATOM 0 HE2 LYS A 34 8.781 -17.694 -15.867 1.00 10.00 H new ATOM 0 HE3 LYS A 34 9.624 -17.474 -14.346 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 9.813 -19.737 -15.134 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 8.941 -19.701 -13.677 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 8.125 -19.914 -15.151 1.00 10.00 H new ATOM 543 N GLY A 35 7.094 -13.619 -18.394 1.00 10.00 N ATOM 544 CA GLY A 35 6.502 -13.044 -19.591 1.00 10.00 C ATOM 545 C GLY A 35 5.102 -12.486 -19.336 1.00 10.00 C ATOM 546 O GLY A 35 4.226 -12.649 -20.187 1.00 10.00 O ATOM 0 H GLY A 35 7.764 -13.000 -17.939 1.00 10.00 H new ATOM 0 HA2 GLY A 35 7.145 -12.248 -19.965 1.00 10.00 H new ATOM 0 HA3 GLY A 35 6.451 -13.805 -20.370 1.00 10.00 H new ATOM 550 N TYR A 36 4.866 -11.856 -18.178 1.00 10.00 N ATOM 551 CA TYR A 36 3.617 -11.154 -17.885 1.00 10.00 C ATOM 552 C TYR A 36 3.864 -10.012 -16.897 1.00 10.00 C ATOM 553 O TYR A 36 4.908 -9.968 -16.241 1.00 10.00 O ATOM 554 CB TYR A 36 2.535 -12.132 -17.381 1.00 10.00 C ATOM 555 CG TYR A 36 2.929 -13.176 -16.345 1.00 10.00 C ATOM 556 CD1 TYR A 36 3.403 -12.792 -15.076 1.00 10.00 C ATOM 557 CD2 TYR A 36 2.740 -14.543 -16.629 1.00 10.00 C ATOM 558 CE1 TYR A 36 3.698 -13.763 -14.103 1.00 10.00 C ATOM 559 CE2 TYR A 36 3.010 -15.520 -15.653 1.00 10.00 C ATOM 560 CZ TYR A 36 3.491 -15.132 -14.380 1.00 10.00 C ATOM 561 OH TYR A 36 3.770 -16.064 -13.427 1.00 10.00 O ATOM 0 H TYR A 36 5.543 -11.821 -17.416 1.00 10.00 H new ATOM 0 HA TYR A 36 3.241 -10.714 -18.809 1.00 10.00 H new ATOM 0 HB2 TYR A 36 1.721 -11.540 -16.963 1.00 10.00 H new ATOM 0 HB3 TYR A 36 2.134 -12.658 -18.247 1.00 10.00 H new ATOM 0 HD1 TYR A 36 3.541 -11.745 -14.849 1.00 10.00 H new ATOM 0 HD2 TYR A 36 2.385 -14.843 -17.604 1.00 10.00 H new ATOM 0 HE1 TYR A 36 4.084 -13.461 -13.141 1.00 10.00 H new ATOM 0 HE2 TYR A 36 2.850 -16.565 -15.875 1.00 10.00 H new ATOM 0 HH TYR A 36 3.572 -16.958 -13.776 1.00 10.00 H new ATOM 571 N TRP A 37 2.908 -9.087 -16.775 1.00 10.00 N ATOM 572 CA TRP A 37 2.927 -8.102 -15.703 1.00 10.00 C ATOM 573 C TRP A 37 2.555 -8.779 -14.389 1.00 10.00 C ATOM 574 O TRP A 37 1.809 -9.762 -14.361 1.00 10.00 O ATOM 575 CB TRP A 37 1.972 -6.940 -15.998 1.00 10.00 C ATOM 576 CG TRP A 37 2.444 -5.974 -17.040 1.00 10.00 C ATOM 577 CD1 TRP A 37 2.187 -6.038 -18.365 1.00 10.00 C ATOM 578 CD2 TRP A 37 3.259 -4.778 -16.856 1.00 10.00 C ATOM 579 NE1 TRP A 37 2.788 -4.977 -19.010 1.00 10.00 N ATOM 580 CE2 TRP A 37 3.475 -4.170 -18.127 1.00 10.00 C ATOM 581 CE3 TRP A 37 3.835 -4.144 -15.736 1.00 10.00 C ATOM 582 CZ2 TRP A 37 4.239 -3.002 -18.277 1.00 10.00 C ATOM 583 CZ3 TRP A 37 4.613 -2.979 -15.873 1.00 10.00 C ATOM 584 CH2 TRP A 37 4.816 -2.408 -17.142 1.00 10.00 C ATOM 0 H TRP A 37 2.113 -9.004 -17.408 1.00 10.00 H new ATOM 0 HA TRP A 37 3.932 -7.688 -15.627 1.00 10.00 H new ATOM 0 HB2 TRP A 37 1.013 -7.351 -16.314 1.00 10.00 H new ATOM 0 HB3 TRP A 37 1.795 -6.393 -15.072 1.00 10.00 H new ATOM 0 HD1 TRP A 37 1.599 -6.805 -18.847 1.00 10.00 H new ATOM 0 HE1 TRP A 37 2.731 -4.810 -20.015 1.00 10.00 H new ATOM 0 HE3 TRP A 37 3.676 -4.561 -14.753 1.00 10.00 H new ATOM 0 HZ2 TRP A 37 4.382 -2.565 -19.254 1.00 10.00 H new ATOM 0 HZ3 TRP A 37 5.056 -2.522 -15.000 1.00 10.00 H new ATOM 0 HH2 TRP A 37 5.414 -1.515 -17.244 1.00 10.00 H new ATOM 595 N VAL A 38 3.039 -8.196 -13.301 1.00 10.00 N ATOM 596 CA VAL A 38 2.756 -8.550 -11.923 1.00 10.00 C ATOM 597 C VAL A 38 2.557 -7.217 -11.194 1.00 10.00 C ATOM 598 O VAL A 38 3.067 -6.184 -11.641 1.00 10.00 O ATOM 599 CB VAL A 38 3.935 -9.374 -11.349 1.00 10.00 C ATOM 600 CG1 VAL A 38 3.703 -9.794 -9.888 1.00 10.00 C ATOM 601 CG2 VAL A 38 4.201 -10.638 -12.184 1.00 10.00 C ATOM 0 H VAL A 38 3.684 -7.409 -13.366 1.00 10.00 H new ATOM 0 HA VAL A 38 1.869 -9.174 -11.812 1.00 10.00 H new ATOM 0 HB VAL A 38 4.802 -8.714 -11.392 1.00 10.00 H new ATOM 0 HG11 VAL A 38 4.559 -10.369 -9.534 1.00 10.00 H new ATOM 0 HG12 VAL A 38 3.582 -8.905 -9.269 1.00 10.00 H new ATOM 0 HG13 VAL A 38 2.803 -10.406 -9.824 1.00 10.00 H new ATOM 0 HG21 VAL A 38 5.035 -11.191 -11.751 1.00 10.00 H new ATOM 0 HG22 VAL A 38 3.311 -11.267 -12.186 1.00 10.00 H new ATOM 0 HG23 VAL A 38 4.446 -10.353 -13.207 1.00 10.00 H new ATOM 611 N GLY A 39 1.833 -7.207 -10.078 1.00 10.00 N ATOM 612 CA GLY A 39 1.708 -6.004 -9.277 1.00 10.00 C ATOM 613 C GLY A 39 1.280 -6.288 -7.850 1.00 10.00 C ATOM 614 O GLY A 39 0.756 -7.361 -7.535 1.00 10.00 O ATOM 0 H GLY A 39 1.329 -8.015 -9.714 1.00 10.00 H new ATOM 0 HA2 GLY A 39 2.663 -5.479 -9.267 1.00 10.00 H new ATOM 0 HA3 GLY A 39 0.983 -5.337 -9.743 1.00 10.00 H new ATOM 618 N ILE A 40 1.502 -5.278 -7.013 1.00 10.00 N ATOM 619 CA ILE A 40 0.991 -5.170 -5.659 1.00 10.00 C ATOM 620 C ILE A 40 -0.079 -4.102 -5.820 1.00 10.00 C ATOM 621 O ILE A 40 0.223 -2.992 -6.264 1.00 10.00 O ATOM 622 CB ILE A 40 2.095 -4.737 -4.663 1.00 10.00 C ATOM 623 CG1 ILE A 40 3.329 -5.669 -4.716 1.00 10.00 C ATOM 624 CG2 ILE A 40 1.503 -4.676 -3.240 1.00 10.00 C ATOM 625 CD1 ILE A 40 4.497 -5.205 -3.835 1.00 10.00 C ATOM 0 H ILE A 40 2.072 -4.475 -7.279 1.00 10.00 H new ATOM 0 HA ILE A 40 0.617 -6.109 -5.250 1.00 10.00 H new ATOM 0 HB ILE A 40 2.447 -3.746 -4.951 1.00 10.00 H new ATOM 0 HG12 ILE A 40 3.029 -6.670 -4.407 1.00 10.00 H new ATOM 0 HG13 ILE A 40 3.672 -5.743 -5.748 1.00 10.00 H new ATOM 0 HG21 ILE A 40 2.278 -4.371 -2.536 1.00 10.00 H new ATOM 0 HG22 ILE A 40 0.687 -3.954 -3.216 1.00 10.00 H new ATOM 0 HG23 ILE A 40 1.125 -5.660 -2.961 1.00 10.00 H new ATOM 0 HD11 ILE A 40 5.324 -5.910 -3.926 1.00 10.00 H new ATOM 0 HD12 ILE A 40 4.825 -4.217 -4.157 1.00 10.00 H new ATOM 0 HD13 ILE A 40 4.173 -5.159 -2.795 1.00 10.00 H new ATOM 637 N TYR A 41 -1.329 -4.442 -5.538 1.00 10.00 N ATOM 638 CA TYR A 41 -2.446 -3.649 -6.008 1.00 10.00 C ATOM 639 C TYR A 41 -3.511 -3.679 -4.930 1.00 10.00 C ATOM 640 O TYR A 41 -3.926 -4.753 -4.512 1.00 10.00 O ATOM 641 CB TYR A 41 -2.951 -4.240 -7.342 1.00 10.00 C ATOM 642 CG TYR A 41 -3.019 -3.239 -8.478 1.00 10.00 C ATOM 643 CD1 TYR A 41 -3.801 -2.080 -8.334 1.00 10.00 C ATOM 644 CD2 TYR A 41 -2.317 -3.463 -9.678 1.00 10.00 C ATOM 645 CE1 TYR A 41 -3.902 -1.158 -9.388 1.00 10.00 C ATOM 646 CE2 TYR A 41 -2.422 -2.549 -10.743 1.00 10.00 C ATOM 647 CZ TYR A 41 -3.213 -1.389 -10.595 1.00 10.00 C ATOM 648 OH TYR A 41 -3.245 -0.446 -11.574 1.00 10.00 O ATOM 0 H TYR A 41 -1.590 -5.260 -4.987 1.00 10.00 H new ATOM 0 HA TYR A 41 -2.164 -2.613 -6.195 1.00 10.00 H new ATOM 0 HB2 TYR A 41 -2.296 -5.061 -7.634 1.00 10.00 H new ATOM 0 HB3 TYR A 41 -3.943 -4.664 -7.186 1.00 10.00 H new ATOM 0 HD1 TYR A 41 -4.327 -1.898 -7.408 1.00 10.00 H new ATOM 0 HD2 TYR A 41 -1.695 -4.340 -9.782 1.00 10.00 H new ATOM 0 HE1 TYR A 41 -4.508 -0.271 -9.273 1.00 10.00 H new ATOM 0 HE2 TYR A 41 -1.900 -2.734 -11.670 1.00 10.00 H new ATOM 0 HH TYR A 41 -2.573 0.242 -11.387 1.00 10.00 H new ATOM 658 N GLU A 42 -3.996 -2.520 -4.499 1.00 10.00 N ATOM 659 CA GLU A 42 -5.135 -2.433 -3.597 1.00 10.00 C ATOM 660 C GLU A 42 -6.369 -2.077 -4.432 1.00 10.00 C ATOM 661 O GLU A 42 -7.182 -1.288 -3.981 1.00 10.00 O ATOM 662 CB GLU A 42 -4.818 -1.462 -2.436 1.00 10.00 C ATOM 663 CG GLU A 42 -5.795 -1.597 -1.257 1.00 10.00 C ATOM 664 CD GLU A 42 -5.257 -0.947 0.030 1.00 10.00 C ATOM 665 OE1 GLU A 42 -5.017 0.282 0.057 1.00 10.00 O ATOM 666 OE2 GLU A 42 -5.112 -1.670 1.042 1.00 10.00 O ATOM 0 H GLU A 42 -3.609 -1.615 -4.766 1.00 10.00 H new ATOM 0 HA GLU A 42 -5.351 -3.382 -3.106 1.00 10.00 H new ATOM 0 HB2 GLU A 42 -3.803 -1.646 -2.083 1.00 10.00 H new ATOM 0 HB3 GLU A 42 -4.846 -0.438 -2.808 1.00 10.00 H new ATOM 0 HG2 GLU A 42 -6.746 -1.136 -1.523 1.00 10.00 H new ATOM 0 HG3 GLU A 42 -5.993 -2.653 -1.072 1.00 10.00 H new ATOM 673 N VAL A 43 -6.514 -2.612 -5.657 1.00 10.00 N ATOM 674 CA VAL A 43 -7.769 -2.539 -6.418 1.00 10.00 C ATOM 675 C VAL A 43 -7.877 -3.667 -7.449 1.00 10.00 C ATOM 676 O VAL A 43 -8.925 -4.311 -7.517 1.00 10.00 O ATOM 677 CB VAL A 43 -7.994 -1.136 -7.052 1.00 10.00 C ATOM 678 CG1 VAL A 43 -6.855 -0.598 -7.918 1.00 10.00 C ATOM 679 CG2 VAL A 43 -9.286 -1.075 -7.870 1.00 10.00 C ATOM 0 H VAL A 43 -5.766 -3.105 -6.144 1.00 10.00 H new ATOM 0 HA VAL A 43 -8.580 -2.686 -5.704 1.00 10.00 H new ATOM 0 HB VAL A 43 -8.052 -0.491 -6.175 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -7.125 0.385 -8.305 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -5.949 -0.515 -7.317 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -6.678 -1.279 -8.750 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -9.402 -0.077 -8.294 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -9.242 -1.808 -8.675 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -10.136 -1.296 -7.225 1.00 10.00 H new ATOM 689 N TRP A 44 -6.835 -3.904 -8.257 1.00 10.00 N ATOM 690 CA TRP A 44 -6.938 -4.804 -9.401 1.00 10.00 C ATOM 691 C TRP A 44 -7.209 -6.240 -8.929 1.00 10.00 C ATOM 692 O TRP A 44 -6.740 -6.661 -7.870 1.00 10.00 O ATOM 693 CB TRP A 44 -5.675 -4.693 -10.275 1.00 10.00 C ATOM 694 CG TRP A 44 -5.703 -5.362 -11.622 1.00 10.00 C ATOM 695 CD1 TRP A 44 -6.764 -5.438 -12.459 1.00 10.00 C ATOM 696 CD2 TRP A 44 -4.594 -5.981 -12.348 1.00 10.00 C ATOM 697 NE1 TRP A 44 -6.411 -6.125 -13.602 1.00 10.00 N ATOM 698 CE2 TRP A 44 -5.078 -6.472 -13.597 1.00 10.00 C ATOM 699 CE3 TRP A 44 -3.221 -6.171 -12.082 1.00 10.00 C ATOM 700 CZ2 TRP A 44 -4.252 -7.134 -14.520 1.00 10.00 C ATOM 701 CZ3 TRP A 44 -2.377 -6.826 -13.000 1.00 10.00 C ATOM 702 CH2 TRP A 44 -2.890 -7.309 -14.216 1.00 10.00 C ATOM 0 H TRP A 44 -5.914 -3.483 -8.135 1.00 10.00 H new ATOM 0 HA TRP A 44 -7.785 -4.512 -10.022 1.00 10.00 H new ATOM 0 HB2 TRP A 44 -5.464 -3.635 -10.429 1.00 10.00 H new ATOM 0 HB3 TRP A 44 -4.838 -5.106 -9.711 1.00 10.00 H new ATOM 0 HD1 TRP A 44 -7.741 -5.023 -12.261 1.00 10.00 H new ATOM 0 HE1 TRP A 44 -7.058 -6.349 -14.358 1.00 10.00 H new ATOM 0 HE3 TRP A 44 -2.808 -5.806 -11.153 1.00 10.00 H new ATOM 0 HZ2 TRP A 44 -4.657 -7.504 -15.450 1.00 10.00 H new ATOM 0 HZ3 TRP A 44 -1.330 -6.958 -12.768 1.00 10.00 H new ATOM 0 HH2 TRP A 44 -2.240 -7.813 -14.915 1.00 10.00 H new ATOM 713 N ASP A 45 -7.966 -6.988 -9.733 1.00 10.00 N ATOM 714 CA ASP A 45 -8.439 -8.345 -9.437 1.00 10.00 C ATOM 715 C ASP A 45 -8.379 -9.200 -10.713 1.00 10.00 C ATOM 716 O ASP A 45 -9.277 -9.986 -11.016 1.00 10.00 O ATOM 717 CB ASP A 45 -9.853 -8.272 -8.837 1.00 10.00 C ATOM 718 CG ASP A 45 -10.351 -9.645 -8.350 1.00 10.00 C ATOM 719 OD1 ASP A 45 -9.594 -10.336 -7.630 1.00 10.00 O ATOM 720 OD2 ASP A 45 -11.520 -10.003 -8.616 1.00 10.00 O ATOM 0 H ASP A 45 -8.280 -6.654 -10.644 1.00 10.00 H new ATOM 0 HA ASP A 45 -7.796 -8.824 -8.698 1.00 10.00 H new ATOM 0 HB2 ASP A 45 -9.856 -7.570 -8.003 1.00 10.00 H new ATOM 0 HB3 ASP A 45 -10.543 -7.882 -9.585 1.00 10.00 H new ATOM 725 N ARG A 46 -7.334 -8.975 -11.522 1.00 10.00 N ATOM 726 CA ARG A 46 -7.149 -9.547 -12.862 1.00 10.00 C ATOM 727 C ARG A 46 -8.328 -9.242 -13.807 1.00 10.00 C ATOM 728 O ARG A 46 -8.604 -10.006 -14.734 1.00 10.00 O ATOM 729 CB ARG A 46 -6.792 -11.046 -12.750 1.00 10.00 C ATOM 730 CG ARG A 46 -5.908 -11.499 -13.919 1.00 10.00 C ATOM 731 CD ARG A 46 -5.607 -13.000 -13.872 1.00 10.00 C ATOM 732 NE ARG A 46 -4.807 -13.384 -15.043 1.00 10.00 N ATOM 733 CZ ARG A 46 -4.354 -14.602 -15.347 1.00 10.00 C ATOM 734 NH1 ARG A 46 -4.603 -15.642 -14.554 1.00 10.00 N ATOM 735 NH2 ARG A 46 -3.654 -14.762 -16.465 1.00 10.00 N ATOM 0 H ARG A 46 -6.564 -8.365 -11.249 1.00 10.00 H new ATOM 0 HA ARG A 46 -6.302 -9.055 -13.340 1.00 10.00 H new ATOM 0 HB2 ARG A 46 -6.275 -11.229 -11.808 1.00 10.00 H new ATOM 0 HB3 ARG A 46 -7.706 -11.639 -12.732 1.00 10.00 H new ATOM 0 HG2 ARG A 46 -6.403 -11.259 -14.860 1.00 10.00 H new ATOM 0 HG3 ARG A 46 -4.971 -10.942 -13.900 1.00 10.00 H new ATOM 0 HD2 ARG A 46 -5.068 -13.244 -12.956 1.00 10.00 H new ATOM 0 HD3 ARG A 46 -6.538 -13.567 -13.854 1.00 10.00 H new ATOM 0 HE ARG A 46 -4.572 -12.637 -15.696 1.00 10.00 H new ATOM 0 HH11 ARG A 46 -5.147 -15.514 -13.701 1.00 10.00 H new ATOM 0 HH12 ARG A 46 -4.250 -16.567 -14.800 1.00 10.00 H new ATOM 0 HH21 ARG A 46 -3.472 -13.962 -17.072 1.00 10.00 H new ATOM 0 HH22 ARG A 46 -3.298 -15.684 -16.716 1.00 10.00 H new ATOM 749 N LYS A 47 -9.039 -8.133 -13.569 1.00 10.00 N ATOM 750 CA LYS A 47 -10.005 -7.583 -14.512 1.00 10.00 C ATOM 751 C LYS A 47 -9.249 -7.247 -15.791 1.00 10.00 C ATOM 752 O LYS A 47 -9.674 -7.683 -16.880 1.00 10.00 O ATOM 753 CB LYS A 47 -10.695 -6.351 -13.902 1.00 10.00 C ATOM 754 CG LYS A 47 -11.789 -5.793 -14.825 1.00 10.00 C ATOM 755 CD LYS A 47 -12.517 -4.612 -14.169 1.00 10.00 C ATOM 756 CE LYS A 47 -13.607 -4.080 -15.110 1.00 10.00 C ATOM 757 NZ LYS A 47 -14.357 -2.943 -14.520 1.00 10.00 N ATOM 758 OXT LYS A 47 -8.226 -6.537 -15.680 1.00 10.00 O ATOM 0 H LYS A 47 -8.955 -7.592 -12.708 1.00 10.00 H new ATOM 0 HA LYS A 47 -10.795 -8.299 -14.739 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -11.133 -6.619 -12.940 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -9.952 -5.577 -13.710 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -11.345 -5.472 -15.767 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -12.505 -6.580 -15.062 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -12.962 -4.927 -13.225 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -11.806 -3.819 -13.937 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -13.151 -3.763 -16.048 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -14.302 -4.885 -15.349 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -15.081 -2.619 -15.192 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -14.815 -3.250 -13.638 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -13.700 -2.163 -14.316 1.00 10.00 H new TER 772 LYS A 47