USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 414 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 85 SER OG : rot 180:sc= 0.207 USER MOD Set 1.2: A 87 ASN : amide:sc= 0.201 K(o=0.41,f=1.5) USER MOD Single : A 32 GLN : amide:sc= -1.88 K(o=-1.9,f=-5.3!) USER MOD Single : A 38 ASN : amide:sc= 1.14 K(o=1.1,f=-0.13) USER MOD Single : A 41 GLN : amide:sc= -0.048 X(o=-0.048,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -2.32! K(o=-2.3!,f=-0.08) USER MOD Single : A 78 LYS NZ :NH3+ -170:sc=-0.00402 (180deg=-0.119) USER MOD Single : A 80 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0164) USER MOD Single : A 89 ASN : amide:sc= -0.216 K(o=-0.22,f=-4!) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -177:sc= 1.11 (180deg=1.02) USER MOD Single : A 106 LYS NZ :NH3+ 172:sc= 0.595 (180deg=0.571) USER MOD Single : A 108 HIS : no HD1:sc= -1.77! K(o=-1.8!,f=-0.48) USER MOD Single : A 109 MET CE :methyl 171:sc= -1.54 (180deg=-1.72) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -120:sc= 0.681 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot -70:sc= 0.249 USER MOD Single : A 118 TYR OH : rot 180:sc= -1.93! USER MOD Single : A 123 LYS NZ :NH3+ -171:sc= -0.0139 (180deg=-0.147) USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 29 6.343 -3.580 -6.579 1.00 1.43 N ATOM 51 CA GLY A 29 6.120 -2.351 -5.840 1.00 0.99 C ATOM 52 C GLY A 29 4.710 -1.821 -5.975 1.00 0.78 C ATOM 53 O GLY A 29 4.339 -0.864 -5.304 1.00 1.00 O ATOM 0 HA2 GLY A 29 6.337 -2.524 -4.786 1.00 0.99 H new ATOM 0 HA3 GLY A 29 6.821 -1.593 -6.189 1.00 0.99 H new ATOM 57 N ALA A 30 3.918 -2.440 -6.831 1.00 0.70 N ATOM 58 CA ALA A 30 2.577 -1.950 -7.102 1.00 0.54 C ATOM 59 C ALA A 30 1.514 -2.850 -6.478 1.00 0.49 C ATOM 60 O ALA A 30 1.411 -4.029 -6.802 1.00 0.60 O ATOM 61 CB ALA A 30 2.360 -1.833 -8.603 1.00 0.68 C ATOM 0 H ALA A 30 4.177 -3.279 -7.349 1.00 0.70 H new ATOM 0 HA ALA A 30 2.480 -0.964 -6.648 1.00 0.54 H new ATOM 0 HB1 ALA A 30 1.353 -1.465 -8.797 1.00 0.68 H new ATOM 0 HB2 ALA A 30 3.087 -1.138 -9.023 1.00 0.68 H new ATOM 0 HB3 ALA A 30 2.484 -2.812 -9.066 1.00 0.68 H new ATOM 67 N ILE A 31 0.730 -2.288 -5.575 1.00 0.40 N ATOM 68 CA ILE A 31 -0.400 -2.997 -4.989 1.00 0.39 C ATOM 69 C ILE A 31 -1.617 -2.083 -4.927 1.00 0.35 C ATOM 70 O ILE A 31 -1.487 -0.878 -4.743 1.00 0.36 O ATOM 71 CB ILE A 31 -0.115 -3.503 -3.788 1.00 0.46 C ATOM 72 CG1 ILE A 31 -1.326 -4.182 -3.149 1.00 0.48 C ATOM 73 CG2 ILE A 31 0.478 -2.444 -2.862 1.00 0.52 C ATOM 74 CD1 ILE A 31 -1.084 -4.691 -1.743 1.00 0.90 C ATOM 0 H ILE A 31 0.854 -1.337 -5.228 1.00 0.40 H new ATOM 0 HA ILE A 31 -0.628 -3.845 -5.635 1.00 0.39 H new ATOM 0 HB ILE A 31 0.641 -4.273 -3.940 1.00 0.46 H new ATOM 0 HG12 ILE A 31 -2.156 -3.476 -3.130 1.00 0.48 H new ATOM 0 HG13 ILE A 31 -1.633 -5.018 -3.778 1.00 0.48 H new ATOM 0 HG21 ILE A 31 0.698 -2.891 -1.892 1.00 0.52 H new ATOM 0 HG22 ILE A 31 1.397 -2.053 -3.298 1.00 0.52 H new ATOM 0 HG23 ILE A 31 -0.237 -1.632 -2.733 1.00 0.52 H new ATOM 0 HD11 ILE A 31 -1.993 -5.158 -1.364 1.00 0.90 H new ATOM 0 HD12 ILE A 31 -0.277 -5.424 -1.755 1.00 0.90 H new ATOM 0 HD13 ILE A 31 -0.808 -3.858 -1.097 1.00 0.90 H new ATOM 86 N GLN A 32 -2.780 -2.641 -5.200 1.00 0.38 N ATOM 87 CA GLN A 32 -4.009 -1.881 -5.162 1.00 0.40 C ATOM 88 C GLN A 32 -4.886 -2.437 -4.051 1.00 0.37 C ATOM 89 O GLN A 32 -5.152 -3.644 -3.988 1.00 0.44 O ATOM 90 CB GLN A 32 -4.697 -1.919 -6.542 1.00 0.50 C ATOM 91 CG GLN A 32 -6.019 -2.662 -6.614 1.00 0.55 C ATOM 92 CD GLN A 32 -7.209 -1.804 -6.209 1.00 1.11 C ATOM 93 OE1 GLN A 32 -7.598 -1.766 -5.047 1.00 2.22 O ATOM 94 NE2 GLN A 32 -7.804 -1.119 -7.173 1.00 0.93 N ATOM 0 H GLN A 32 -2.897 -3.623 -5.451 1.00 0.38 H new ATOM 0 HA GLN A 32 -3.811 -0.831 -4.944 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -4.863 -0.893 -6.870 1.00 0.50 H new ATOM 0 HB3 GLN A 32 -4.009 -2.374 -7.255 1.00 0.50 H new ATOM 0 HG2 GLN A 32 -6.170 -3.025 -7.631 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -5.973 -3.537 -5.966 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -7.453 -1.174 -8.129 1.00 0.93 H new ATOM 0 HE22 GLN A 32 -8.613 -0.536 -6.960 1.00 0.93 H new ATOM 103 N LEU A 33 -5.295 -1.571 -3.151 1.00 0.34 N ATOM 104 CA LEU A 33 -6.115 -2.005 -2.037 1.00 0.36 C ATOM 105 C LEU A 33 -7.367 -1.156 -1.905 1.00 0.35 C ATOM 106 O LEU A 33 -7.412 -0.005 -2.331 1.00 0.43 O ATOM 107 CB LEU A 33 -5.296 -2.020 -0.736 1.00 0.45 C ATOM 108 CG LEU A 33 -4.556 -0.723 -0.378 1.00 0.46 C ATOM 109 CD1 LEU A 33 -5.492 0.310 0.232 1.00 0.72 C ATOM 110 CD2 LEU A 33 -3.409 -1.021 0.569 1.00 0.71 C ATOM 0 H LEU A 33 -5.078 -0.574 -3.165 1.00 0.34 H new ATOM 0 HA LEU A 33 -6.444 -3.025 -2.235 1.00 0.36 H new ATOM 0 HB2 LEU A 33 -5.967 -2.268 0.087 1.00 0.45 H new ATOM 0 HB3 LEU A 33 -4.563 -2.824 -0.803 1.00 0.45 H new ATOM 0 HG LEU A 33 -4.159 -0.301 -1.301 1.00 0.46 H new ATOM 0 HD11 LEU A 33 -4.931 1.213 0.472 1.00 0.72 H new ATOM 0 HD12 LEU A 33 -6.281 0.551 -0.480 1.00 0.72 H new ATOM 0 HD13 LEU A 33 -5.936 -0.094 1.142 1.00 0.72 H new ATOM 0 HD21 LEU A 33 -2.891 -0.094 0.816 1.00 0.71 H new ATOM 0 HD22 LEU A 33 -3.798 -1.474 1.481 1.00 0.71 H new ATOM 0 HD23 LEU A 33 -2.712 -1.710 0.091 1.00 0.71 H new ATOM 122 N ASP A 34 -8.382 -1.750 -1.320 1.00 0.35 N ATOM 123 CA ASP A 34 -9.658 -1.092 -1.114 1.00 0.45 C ATOM 124 C ASP A 34 -9.541 -0.065 0.003 1.00 0.53 C ATOM 125 O ASP A 34 -8.796 -0.258 0.964 1.00 0.58 O ATOM 126 CB ASP A 34 -10.730 -2.149 -0.810 1.00 0.55 C ATOM 127 CG ASP A 34 -11.690 -1.743 0.289 1.00 0.65 C ATOM 128 OD1 ASP A 34 -11.344 -1.939 1.470 1.00 0.88 O ATOM 129 OD2 ASP A 34 -12.797 -1.252 -0.026 1.00 1.15 O ATOM 0 H ASP A 34 -8.348 -2.708 -0.971 1.00 0.35 H new ATOM 0 HA ASP A 34 -9.954 -0.558 -2.017 1.00 0.45 H new ATOM 0 HB2 ASP A 34 -11.297 -2.351 -1.719 1.00 0.55 H new ATOM 0 HB3 ASP A 34 -10.240 -3.080 -0.526 1.00 0.55 H new ATOM 134 N GLY A 35 -10.291 1.018 -0.129 1.00 0.67 N ATOM 135 CA GLY A 35 -10.172 2.135 0.786 1.00 0.84 C ATOM 136 C GLY A 35 -10.944 1.932 2.066 1.00 0.85 C ATOM 137 O GLY A 35 -11.529 2.871 2.609 1.00 1.20 O ATOM 0 H GLY A 35 -10.988 1.144 -0.863 1.00 0.67 H new ATOM 0 HA2 GLY A 35 -9.120 2.293 1.024 1.00 0.84 H new ATOM 0 HA3 GLY A 35 -10.527 3.040 0.294 1.00 0.84 H new ATOM 141 N ASP A 36 -10.963 0.701 2.527 1.00 0.69 N ATOM 142 CA ASP A 36 -11.625 0.352 3.769 1.00 0.83 C ATOM 143 C ASP A 36 -10.728 -0.554 4.604 1.00 0.83 C ATOM 144 O ASP A 36 -10.834 -0.591 5.832 1.00 1.10 O ATOM 145 CB ASP A 36 -12.951 -0.336 3.459 1.00 0.89 C ATOM 146 CG ASP A 36 -13.851 -0.463 4.671 1.00 1.24 C ATOM 147 OD1 ASP A 36 -14.112 -1.607 5.110 1.00 1.81 O ATOM 148 OD2 ASP A 36 -14.279 0.577 5.215 1.00 1.77 O ATOM 0 H ASP A 36 -10.521 -0.087 2.054 1.00 0.69 H new ATOM 0 HA ASP A 36 -11.823 1.256 4.344 1.00 0.83 H new ATOM 0 HB2 ASP A 36 -13.472 0.225 2.684 1.00 0.89 H new ATOM 0 HB3 ASP A 36 -12.753 -1.329 3.055 1.00 0.89 H new ATOM 153 N GLY A 37 -9.826 -1.265 3.930 1.00 0.67 N ATOM 154 CA GLY A 37 -8.889 -2.134 4.619 1.00 0.81 C ATOM 155 C GLY A 37 -8.667 -3.443 3.888 1.00 0.78 C ATOM 156 O GLY A 37 -7.828 -4.252 4.287 1.00 1.05 O ATOM 0 H GLY A 37 -9.728 -1.253 2.915 1.00 0.67 H new ATOM 0 HA2 GLY A 37 -7.935 -1.618 4.732 1.00 0.81 H new ATOM 0 HA3 GLY A 37 -9.260 -2.340 5.623 1.00 0.81 H new ATOM 160 N ASN A 38 -9.406 -3.639 2.805 1.00 0.61 N ATOM 161 CA ASN A 38 -9.354 -4.883 2.048 1.00 0.73 C ATOM 162 C ASN A 38 -8.304 -4.802 0.945 1.00 0.57 C ATOM 163 O ASN A 38 -8.033 -3.728 0.422 1.00 0.49 O ATOM 164 CB ASN A 38 -10.725 -5.175 1.423 1.00 0.95 C ATOM 165 CG ASN A 38 -11.853 -5.209 2.439 1.00 1.13 C ATOM 166 OD1 ASN A 38 -12.191 -6.258 2.979 1.00 1.57 O ATOM 167 ND2 ASN A 38 -12.451 -4.056 2.701 1.00 1.38 N ATOM 0 H ASN A 38 -10.054 -2.947 2.428 1.00 0.61 H new ATOM 0 HA ASN A 38 -9.084 -5.687 2.733 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -10.944 -4.415 0.673 1.00 0.95 H new ATOM 0 HB3 ASN A 38 -10.684 -6.133 0.904 1.00 0.95 H new ATOM 0 HD21 ASN A 38 -13.219 -4.021 3.371 1.00 1.38 H new ATOM 0 HD22 ASN A 38 -12.143 -3.204 2.233 1.00 1.38 H new ATOM 174 N ILE A 39 -7.706 -5.933 0.597 1.00 0.65 N ATOM 175 CA ILE A 39 -6.797 -5.986 -0.532 1.00 0.57 C ATOM 176 C ILE A 39 -7.579 -6.386 -1.773 1.00 0.59 C ATOM 177 O ILE A 39 -8.484 -7.216 -1.689 1.00 0.77 O ATOM 178 CB ILE A 39 -5.826 -6.866 -0.348 1.00 0.62 C ATOM 179 CG1 ILE A 39 -5.116 -6.691 0.993 1.00 0.72 C ATOM 180 CG2 ILE A 39 -4.805 -6.780 -1.480 1.00 0.61 C ATOM 181 CD1 ILE A 39 -4.452 -5.340 1.179 1.00 1.18 C ATOM 0 H ILE A 39 -7.835 -6.822 1.080 1.00 0.65 H new ATOM 0 HA ILE A 39 -6.346 -5.000 -0.644 1.00 0.57 H new ATOM 0 HB ILE A 39 -6.296 -7.849 -0.345 1.00 0.62 H new ATOM 0 HG12 ILE A 39 -5.839 -6.840 1.795 1.00 0.72 H new ATOM 0 HG13 ILE A 39 -4.361 -7.470 1.095 1.00 0.72 H new ATOM 0 HG21 ILE A 39 -4.014 -7.511 -1.312 1.00 0.61 H new ATOM 0 HG22 ILE A 39 -5.297 -6.989 -2.430 1.00 0.61 H new ATOM 0 HG23 ILE A 39 -4.375 -5.779 -1.507 1.00 0.61 H new ATOM 0 HD11 ILE A 39 -3.972 -5.302 2.157 1.00 1.18 H new ATOM 0 HD12 ILE A 39 -3.703 -5.193 0.401 1.00 1.18 H new ATOM 0 HD13 ILE A 39 -5.203 -4.553 1.112 1.00 1.18 H new ATOM 193 N LEU A 40 -7.278 -5.774 -2.907 1.00 0.51 N ATOM 194 CA LEU A 40 -7.983 -6.110 -4.132 1.00 0.61 C ATOM 195 C LEU A 40 -7.056 -6.780 -5.140 1.00 0.60 C ATOM 196 O LEU A 40 -7.311 -7.903 -5.571 1.00 0.72 O ATOM 197 CB LEU A 40 -8.627 -4.862 -4.742 1.00 0.66 C ATOM 198 CG LEU A 40 -9.525 -5.127 -5.956 1.00 1.07 C ATOM 199 CD1 LEU A 40 -10.662 -6.065 -5.588 1.00 1.56 C ATOM 200 CD2 LEU A 40 -10.081 -3.824 -6.505 1.00 1.54 C ATOM 0 H LEU A 40 -6.562 -5.054 -3.005 1.00 0.51 H new ATOM 0 HA LEU A 40 -8.770 -6.820 -3.879 1.00 0.61 H new ATOM 0 HB2 LEU A 40 -9.218 -4.363 -3.974 1.00 0.66 H new ATOM 0 HB3 LEU A 40 -7.838 -4.170 -5.036 1.00 0.66 H new ATOM 0 HG LEU A 40 -8.919 -5.601 -6.728 1.00 1.07 H new ATOM 0 HD11 LEU A 40 -11.287 -6.240 -6.464 1.00 1.56 H new ATOM 0 HD12 LEU A 40 -10.253 -7.013 -5.239 1.00 1.56 H new ATOM 0 HD13 LEU A 40 -11.263 -5.616 -4.797 1.00 1.56 H new ATOM 0 HD21 LEU A 40 -10.716 -4.033 -7.366 1.00 1.54 H new ATOM 0 HD22 LEU A 40 -10.668 -3.326 -5.734 1.00 1.54 H new ATOM 0 HD23 LEU A 40 -9.258 -3.177 -6.809 1.00 1.54 H new ATOM 212 N GLN A 41 -5.975 -6.101 -5.500 1.00 0.50 N ATOM 213 CA GLN A 41 -5.082 -6.598 -6.545 1.00 0.55 C ATOM 214 C GLN A 41 -3.632 -6.268 -6.238 1.00 0.46 C ATOM 215 O GLN A 41 -3.334 -5.267 -5.593 1.00 0.46 O ATOM 216 CB GLN A 41 -5.470 -6.010 -7.905 1.00 0.67 C ATOM 217 CG GLN A 41 -6.796 -6.529 -8.437 1.00 1.08 C ATOM 218 CD GLN A 41 -7.295 -5.748 -9.633 1.00 1.73 C ATOM 219 OE1 GLN A 41 -6.972 -6.061 -10.779 1.00 2.41 O ATOM 220 NE2 GLN A 41 -8.093 -4.726 -9.377 1.00 2.37 N ATOM 0 H GLN A 41 -5.694 -5.211 -5.089 1.00 0.50 H new ATOM 0 HA GLN A 41 -5.186 -7.682 -6.579 1.00 0.55 H new ATOM 0 HB2 GLN A 41 -5.522 -4.925 -7.821 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -4.685 -6.236 -8.627 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.686 -7.577 -8.714 1.00 1.08 H new ATOM 0 HG3 GLN A 41 -7.542 -6.486 -7.644 1.00 1.08 H new ATOM 0 HE21 GLN A 41 -8.337 -4.499 -8.413 1.00 2.37 H new ATOM 0 HE22 GLN A 41 -8.465 -4.165 -10.143 1.00 2.37 H new ATOM 229 N TYR A 42 -2.735 -7.115 -6.707 1.00 0.57 N ATOM 230 CA TYR A 42 -1.306 -6.912 -6.508 1.00 0.58 C ATOM 231 C TYR A 42 -0.590 -6.974 -7.852 1.00 0.65 C ATOM 232 O TYR A 42 -0.626 -8.001 -8.530 1.00 0.79 O ATOM 233 CB TYR A 42 -0.758 -7.975 -5.545 1.00 0.71 C ATOM 234 CG TYR A 42 0.694 -7.793 -5.154 1.00 0.82 C ATOM 235 CD1 TYR A 42 1.656 -8.727 -5.518 1.00 1.09 C ATOM 236 CD2 TYR A 42 1.105 -6.675 -4.440 1.00 0.82 C ATOM 237 CE1 TYR A 42 2.985 -8.555 -5.177 1.00 1.26 C ATOM 238 CE2 TYR A 42 2.433 -6.496 -4.094 1.00 1.02 C ATOM 239 CZ TYR A 42 3.358 -7.481 -4.407 1.00 1.21 C ATOM 240 OH TYR A 42 4.692 -7.266 -4.119 1.00 1.42 O ATOM 0 H TYR A 42 -2.970 -7.957 -7.233 1.00 0.57 H new ATOM 0 HA TYR A 42 -1.133 -5.930 -6.068 1.00 0.58 H new ATOM 0 HB2 TYR A 42 -1.366 -7.973 -4.640 1.00 0.71 H new ATOM 0 HB3 TYR A 42 -0.875 -8.956 -6.005 1.00 0.71 H new ATOM 0 HD1 TYR A 42 1.361 -9.603 -6.077 1.00 1.09 H new ATOM 0 HD2 TYR A 42 0.376 -5.933 -4.150 1.00 0.82 H new ATOM 0 HE1 TYR A 42 3.727 -9.263 -5.515 1.00 1.26 H new ATOM 0 HE2 TYR A 42 2.746 -5.597 -3.585 1.00 1.02 H new ATOM 0 HH TYR A 42 4.782 -6.463 -3.565 1.00 1.42 H new ATOM 250 N ASN A 43 0.044 -5.875 -8.245 1.00 0.63 N ATOM 251 CA ASN A 43 0.713 -5.805 -9.540 1.00 0.75 C ATOM 252 C ASN A 43 2.201 -6.060 -9.366 1.00 0.92 C ATOM 253 O ASN A 43 2.972 -5.134 -9.110 1.00 1.02 O ATOM 254 CB ASN A 43 0.518 -4.435 -10.213 1.00 0.78 C ATOM 255 CG ASN A 43 -0.914 -4.122 -10.633 1.00 0.73 C ATOM 256 OD1 ASN A 43 -1.136 -3.472 -11.653 1.00 1.21 O ATOM 257 ND2 ASN A 43 -1.893 -4.549 -9.854 1.00 0.88 N ATOM 0 H ASN A 43 0.109 -5.023 -7.688 1.00 0.63 H new ATOM 0 HA ASN A 43 0.267 -6.568 -10.178 1.00 0.75 H new ATOM 0 HB2 ASN A 43 0.858 -3.659 -9.528 1.00 0.78 H new ATOM 0 HB3 ASN A 43 1.158 -4.385 -11.094 1.00 0.78 H new ATOM 0 HD21 ASN A 43 -2.863 -4.341 -10.093 1.00 0.88 H new ATOM 0 HD22 ASN A 43 -1.679 -5.086 -9.014 1.00 0.88 H new ATOM 756 N GLY A 77 1.001 6.852 3.610 1.00 3.20 N ATOM 757 CA GLY A 77 1.034 8.296 3.671 1.00 2.71 C ATOM 758 C GLY A 77 -0.278 8.873 4.151 1.00 1.94 C ATOM 759 O GLY A 77 -1.142 9.208 3.340 1.00 2.44 O ATOM 0 HA2 GLY A 77 1.835 8.612 4.339 1.00 2.71 H new ATOM 0 HA3 GLY A 77 1.266 8.695 2.684 1.00 2.71 H new ATOM 763 N LYS A 78 -0.424 8.971 5.473 1.00 1.39 N ATOM 764 CA LYS A 78 -1.631 9.517 6.097 1.00 1.29 C ATOM 765 C LYS A 78 -2.860 8.715 5.678 1.00 1.03 C ATOM 766 O LYS A 78 -3.911 9.282 5.416 1.00 1.02 O ATOM 767 CB LYS A 78 -1.828 10.989 5.705 1.00 2.10 C ATOM 768 CG LYS A 78 -0.597 11.864 5.893 1.00 2.61 C ATOM 769 CD LYS A 78 -0.063 11.799 7.313 1.00 3.18 C ATOM 770 CE LYS A 78 1.048 12.812 7.535 1.00 3.78 C ATOM 771 NZ LYS A 78 2.173 12.637 6.578 1.00 4.14 N ATOM 0 H LYS A 78 0.289 8.675 6.140 1.00 1.39 H new ATOM 0 HA LYS A 78 -1.507 9.449 7.178 1.00 1.29 H new ATOM 0 HB2 LYS A 78 -2.135 11.035 4.660 1.00 2.10 H new ATOM 0 HB3 LYS A 78 -2.645 11.403 6.296 1.00 2.10 H new ATOM 0 HG2 LYS A 78 0.181 11.548 5.198 1.00 2.61 H new ATOM 0 HG3 LYS A 78 -0.845 12.896 5.646 1.00 2.61 H new ATOM 0 HD2 LYS A 78 -0.874 11.986 8.017 1.00 3.18 H new ATOM 0 HD3 LYS A 78 0.311 10.796 7.517 1.00 3.18 H new ATOM 0 HE2 LYS A 78 0.643 13.819 7.436 1.00 3.78 H new ATOM 0 HE3 LYS A 78 1.423 12.718 8.554 1.00 3.78 H new ATOM 0 HZ1 LYS A 78 2.974 13.232 6.871 1.00 4.14 H new ATOM 0 HZ2 LYS A 78 2.468 11.640 6.567 1.00 4.14 H new ATOM 0 HZ3 LYS A 78 1.865 12.917 5.625 1.00 4.14 H new ATOM 785 N PHE A 79 -2.728 7.392 5.690 1.00 0.95 N ATOM 786 CA PHE A 79 -3.704 6.495 5.066 1.00 0.77 C ATOM 787 C PHE A 79 -5.158 6.848 5.400 1.00 0.70 C ATOM 788 O PHE A 79 -6.010 6.864 4.493 1.00 0.64 O ATOM 789 CB PHE A 79 -3.419 5.041 5.454 1.00 0.88 C ATOM 790 CG PHE A 79 -4.264 4.056 4.697 1.00 0.79 C ATOM 791 CD1 PHE A 79 -5.307 3.388 5.318 1.00 0.86 C ATOM 792 CD2 PHE A 79 -4.022 3.809 3.353 1.00 0.78 C ATOM 793 CE1 PHE A 79 -6.092 2.493 4.614 1.00 0.85 C ATOM 794 CE2 PHE A 79 -4.801 2.915 2.646 1.00 0.84 C ATOM 795 CZ PHE A 79 -5.838 2.257 3.276 1.00 0.82 C ATOM 0 H PHE A 79 -1.945 6.909 6.130 1.00 0.95 H new ATOM 0 HA PHE A 79 -3.589 6.623 3.990 1.00 0.77 H new ATOM 0 HB2 PHE A 79 -2.366 4.822 5.274 1.00 0.88 H new ATOM 0 HB3 PHE A 79 -3.593 4.915 6.523 1.00 0.88 H new ATOM 0 HD1 PHE A 79 -5.509 3.568 6.363 1.00 0.86 H new ATOM 0 HD2 PHE A 79 -3.214 4.323 2.854 1.00 0.78 H new ATOM 0 HE1 PHE A 79 -6.903 1.979 5.109 1.00 0.85 H new ATOM 0 HE2 PHE A 79 -4.599 2.731 1.601 1.00 0.84 H new ATOM 0 HZ PHE A 79 -6.450 1.559 2.724 1.00 0.82 H new ATOM 805 N LYS A 80 -5.440 7.173 6.673 1.00 0.82 N ATOM 806 CA LYS A 80 -6.822 7.398 7.093 1.00 0.89 C ATOM 807 C LYS A 80 -7.273 8.790 6.685 1.00 0.81 C ATOM 808 O LYS A 80 -8.449 9.023 6.396 1.00 0.87 O ATOM 809 CB LYS A 80 -6.981 7.219 8.603 1.00 1.12 C ATOM 810 CG LYS A 80 -6.495 5.875 9.124 1.00 1.66 C ATOM 811 CD LYS A 80 -6.994 5.607 10.539 1.00 2.17 C ATOM 812 CE LYS A 80 -6.770 6.794 11.464 1.00 2.87 C ATOM 813 NZ LYS A 80 -5.336 7.181 11.557 1.00 3.48 N ATOM 0 H LYS A 80 -4.743 7.283 7.410 1.00 0.82 H new ATOM 0 HA LYS A 80 -7.448 6.656 6.597 1.00 0.89 H new ATOM 0 HB2 LYS A 80 -6.434 8.013 9.112 1.00 1.12 H new ATOM 0 HB3 LYS A 80 -8.033 7.339 8.863 1.00 1.12 H new ATOM 0 HG2 LYS A 80 -6.838 5.081 8.460 1.00 1.66 H new ATOM 0 HG3 LYS A 80 -5.405 5.852 9.112 1.00 1.66 H new ATOM 0 HD2 LYS A 80 -8.057 5.369 10.508 1.00 2.17 H new ATOM 0 HD3 LYS A 80 -6.483 4.733 10.943 1.00 2.17 H new ATOM 0 HE2 LYS A 80 -7.350 7.644 11.106 1.00 2.87 H new ATOM 0 HE3 LYS A 80 -7.143 6.551 12.459 1.00 2.87 H new ATOM 0 HZ1 LYS A 80 -5.155 7.622 12.481 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -4.741 6.335 11.454 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -5.109 7.858 10.800 1.00 3.48 H new ATOM 827 N GLU A 81 -6.325 9.706 6.632 1.00 0.78 N ATOM 828 CA GLU A 81 -6.603 11.067 6.226 1.00 0.78 C ATOM 829 C GLU A 81 -6.808 11.081 4.725 1.00 0.62 C ATOM 830 O GLU A 81 -7.639 11.813 4.200 1.00 0.64 O ATOM 831 CB GLU A 81 -5.442 11.977 6.622 1.00 0.96 C ATOM 832 CG GLU A 81 -5.705 13.457 6.411 1.00 1.53 C ATOM 833 CD GLU A 81 -4.614 14.316 7.010 1.00 2.31 C ATOM 834 OE1 GLU A 81 -3.802 14.881 6.248 1.00 3.07 O ATOM 835 OE2 GLU A 81 -4.554 14.417 8.254 1.00 2.63 O ATOM 0 H GLU A 81 -5.349 9.528 6.867 1.00 0.78 H new ATOM 0 HA GLU A 81 -7.501 11.436 6.722 1.00 0.78 H new ATOM 0 HB2 GLU A 81 -5.206 11.809 7.673 1.00 0.96 H new ATOM 0 HB3 GLU A 81 -4.560 11.692 6.048 1.00 0.96 H new ATOM 0 HG2 GLU A 81 -5.784 13.663 5.344 1.00 1.53 H new ATOM 0 HG3 GLU A 81 -6.663 13.723 6.858 1.00 1.53 H new ATOM 842 N GLY A 82 -6.062 10.213 4.055 1.00 0.55 N ATOM 843 CA GLY A 82 -6.193 10.034 2.639 1.00 0.47 C ATOM 844 C GLY A 82 -7.607 9.663 2.259 1.00 0.46 C ATOM 845 O GLY A 82 -8.158 10.150 1.268 1.00 0.49 O ATOM 0 H GLY A 82 -5.354 9.620 4.489 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -5.906 10.952 2.127 1.00 0.47 H new ATOM 0 HA3 GLY A 82 -5.508 9.255 2.304 1.00 0.47 H new ATOM 849 N VAL A 83 -8.190 8.812 3.088 1.00 0.51 N ATOM 850 CA VAL A 83 -9.539 8.313 2.875 1.00 0.61 C ATOM 851 C VAL A 83 -10.568 9.423 3.055 1.00 0.70 C ATOM 852 O VAL A 83 -11.356 9.706 2.154 1.00 0.79 O ATOM 853 CB VAL A 83 -9.816 7.329 3.722 1.00 0.70 C ATOM 854 CG1 VAL A 83 -11.245 6.818 3.530 1.00 0.85 C ATOM 855 CG2 VAL A 83 -8.820 6.188 3.591 1.00 0.69 C ATOM 0 H VAL A 83 -7.741 8.448 3.928 1.00 0.51 H new ATOM 0 HA VAL A 83 -9.589 7.939 1.852 1.00 0.61 H new ATOM 0 HB VAL A 83 -9.733 7.736 4.730 1.00 0.70 H new ATOM 0 HG11 VAL A 83 -11.442 6.013 4.238 1.00 0.85 H new ATOM 0 HG12 VAL A 83 -11.949 7.632 3.702 1.00 0.85 H new ATOM 0 HG13 VAL A 83 -11.364 6.444 2.513 1.00 0.85 H new ATOM 0 HG21 VAL A 83 -9.075 5.399 4.298 1.00 0.69 H new ATOM 0 HG22 VAL A 83 -8.853 5.791 2.577 1.00 0.69 H new ATOM 0 HG23 VAL A 83 -7.816 6.555 3.804 1.00 0.69 H new ATOM 865 N ALA A 84 -10.520 10.083 4.205 1.00 0.76 N ATOM 866 CA ALA A 84 -11.581 10.997 4.597 1.00 0.94 C ATOM 867 C ALA A 84 -11.398 12.367 3.973 1.00 0.88 C ATOM 868 O ALA A 84 -12.357 13.127 3.842 1.00 1.07 O ATOM 869 CB ALA A 84 -11.670 11.096 6.112 1.00 1.12 C ATOM 0 H ALA A 84 -9.759 10.002 4.880 1.00 0.76 H new ATOM 0 HA ALA A 84 -12.522 10.593 4.223 1.00 0.94 H new ATOM 0 HB1 ALA A 84 -12.470 11.785 6.385 1.00 1.12 H new ATOM 0 HB2 ALA A 84 -11.881 10.111 6.529 1.00 1.12 H new ATOM 0 HB3 ALA A 84 -10.724 11.463 6.509 1.00 1.12 H new ATOM 875 N SER A 85 -10.171 12.683 3.595 1.00 0.76 N ATOM 876 CA SER A 85 -9.915 13.909 2.854 1.00 0.84 C ATOM 877 C SER A 85 -10.486 13.753 1.450 1.00 0.94 C ATOM 878 O SER A 85 -10.916 14.722 0.822 1.00 1.22 O ATOM 879 CB SER A 85 -8.413 14.220 2.802 1.00 1.19 C ATOM 880 OG SER A 85 -8.161 15.536 2.337 1.00 1.88 O ATOM 0 H SER A 85 -9.345 12.116 3.785 1.00 0.76 H new ATOM 0 HA SER A 85 -10.398 14.747 3.357 1.00 0.84 H new ATOM 0 HB2 SER A 85 -7.982 14.097 3.796 1.00 1.19 H new ATOM 0 HB3 SER A 85 -7.916 13.503 2.149 1.00 1.19 H new ATOM 0 HG SER A 85 -7.195 15.697 2.319 1.00 1.88 H new ATOM 886 N GLY A 86 -10.509 12.510 0.975 1.00 0.96 N ATOM 887 CA GLY A 86 -11.096 12.223 -0.313 1.00 1.46 C ATOM 888 C GLY A 86 -10.120 12.432 -1.442 1.00 1.21 C ATOM 889 O GLY A 86 -10.520 12.640 -2.587 1.00 1.66 O ATOM 0 H GLY A 86 -10.130 11.699 1.464 1.00 0.96 H new ATOM 0 HA2 GLY A 86 -11.450 11.192 -0.327 1.00 1.46 H new ATOM 0 HA3 GLY A 86 -11.966 12.862 -0.464 1.00 1.46 H new ATOM 893 N ASN A 87 -8.835 12.363 -1.127 1.00 0.66 N ATOM 894 CA ASN A 87 -7.801 12.611 -2.122 1.00 0.67 C ATOM 895 C ASN A 87 -6.494 11.937 -1.746 1.00 0.52 C ATOM 896 O ASN A 87 -5.435 12.563 -1.713 1.00 0.72 O ATOM 897 CB ASN A 87 -7.582 14.121 -2.346 1.00 0.95 C ATOM 898 CG ASN A 87 -7.400 14.908 -1.056 1.00 1.40 C ATOM 899 OD1 ASN A 87 -6.296 15.014 -0.516 1.00 2.08 O ATOM 900 ND2 ASN A 87 -8.479 15.499 -0.574 1.00 1.72 N ATOM 0 H ASN A 87 -8.484 12.139 -0.196 1.00 0.66 H new ATOM 0 HA ASN A 87 -8.150 12.176 -3.059 1.00 0.67 H new ATOM 0 HB2 ASN A 87 -6.703 14.263 -2.975 1.00 0.95 H new ATOM 0 HB3 ASN A 87 -8.434 14.526 -2.892 1.00 0.95 H new ATOM 0 HD21 ASN A 87 -8.415 16.066 0.272 1.00 1.72 H new ATOM 0 HD22 ASN A 87 -9.376 15.389 -1.048 1.00 1.72 H new ATOM 907 N LEU A 88 -6.575 10.646 -1.472 1.00 0.40 N ATOM 908 CA LEU A 88 -5.390 9.861 -1.188 1.00 0.32 C ATOM 909 C LEU A 88 -4.603 9.587 -2.451 1.00 0.30 C ATOM 910 O LEU A 88 -4.616 8.484 -2.980 1.00 0.34 O ATOM 911 CB LEU A 88 -5.750 8.546 -0.524 1.00 0.37 C ATOM 912 CG LEU A 88 -4.796 8.149 0.575 1.00 0.42 C ATOM 913 CD1 LEU A 88 -5.315 6.932 1.330 1.00 0.56 C ATOM 914 CD2 LEU A 88 -3.401 7.883 0.032 1.00 0.48 C ATOM 0 H LEU A 88 -7.449 10.121 -1.441 1.00 0.40 H new ATOM 0 HA LEU A 88 -4.774 10.445 -0.505 1.00 0.32 H new ATOM 0 HB2 LEU A 88 -6.757 8.619 -0.112 1.00 0.37 H new ATOM 0 HB3 LEU A 88 -5.770 7.760 -1.279 1.00 0.37 H new ATOM 0 HG LEU A 88 -4.730 8.986 1.270 1.00 0.42 H new ATOM 0 HD11 LEU A 88 -4.610 6.665 2.117 1.00 0.56 H new ATOM 0 HD12 LEU A 88 -6.283 7.164 1.773 1.00 0.56 H new ATOM 0 HD13 LEU A 88 -5.423 6.095 0.640 1.00 0.56 H new ATOM 0 HD21 LEU A 88 -2.740 7.600 0.851 1.00 0.48 H new ATOM 0 HD22 LEU A 88 -3.443 7.074 -0.697 1.00 0.48 H new ATOM 0 HD23 LEU A 88 -3.019 8.784 -0.447 1.00 0.48 H new ATOM 926 N ASN A 89 -3.943 10.602 -2.935 1.00 0.32 N ATOM 927 CA ASN A 89 -3.088 10.465 -4.091 1.00 0.34 C ATOM 928 C ASN A 89 -1.870 11.350 -3.899 1.00 0.40 C ATOM 929 O ASN A 89 -1.932 12.566 -4.090 1.00 0.50 O ATOM 930 CB ASN A 89 -3.868 10.822 -5.367 1.00 0.41 C ATOM 931 CG ASN A 89 -2.991 10.879 -6.611 1.00 1.12 C ATOM 932 OD1 ASN A 89 -2.798 9.878 -7.297 1.00 2.01 O ATOM 933 ND2 ASN A 89 -2.462 12.052 -6.914 1.00 1.62 N ATOM 0 H ASN A 89 -3.979 11.544 -2.545 1.00 0.32 H new ATOM 0 HA ASN A 89 -2.752 9.434 -4.201 1.00 0.34 H new ATOM 0 HB2 ASN A 89 -4.657 10.086 -5.520 1.00 0.41 H new ATOM 0 HB3 ASN A 89 -4.355 11.787 -5.229 1.00 0.41 H new ATOM 0 HD21 ASN A 89 -1.872 12.147 -7.741 1.00 1.62 H new ATOM 0 HD22 ASN A 89 -2.644 12.862 -6.321 1.00 1.62 H new ATOM 940 N THR A 90 -0.770 10.742 -3.473 1.00 0.39 N ATOM 941 CA THR A 90 0.436 11.481 -3.166 1.00 0.50 C ATOM 942 C THR A 90 1.666 10.716 -3.647 1.00 0.55 C ATOM 943 O THR A 90 1.654 9.486 -3.702 1.00 0.69 O ATOM 944 CB THR A 90 0.519 11.693 -1.856 1.00 0.68 C ATOM 945 OG1 THR A 90 -0.701 12.282 -1.380 1.00 1.67 O ATOM 946 CG2 THR A 90 1.688 12.594 -1.481 1.00 1.22 C ATOM 0 H THR A 90 -0.694 9.734 -3.334 1.00 0.39 H new ATOM 0 HA THR A 90 0.397 12.441 -3.682 1.00 0.50 H new ATOM 0 HB THR A 90 0.685 10.723 -1.387 1.00 0.68 H new ATOM 0 HG1 THR A 90 -0.635 12.435 -0.414 1.00 1.67 H new ATOM 0 HG21 THR A 90 1.708 12.733 -0.400 1.00 1.22 H new ATOM 0 HG22 THR A 90 2.621 12.133 -1.805 1.00 1.22 H new ATOM 0 HG23 THR A 90 1.573 13.562 -1.969 1.00 1.22 H new ATOM 954 N MET A 91 2.685 11.446 -4.075 1.00 0.72 N ATOM 955 CA MET A 91 3.969 10.850 -4.415 1.00 1.00 C ATOM 956 C MET A 91 5.071 11.554 -3.657 1.00 0.88 C ATOM 957 O MET A 91 5.143 12.776 -3.657 1.00 0.92 O ATOM 958 CB MET A 91 4.237 10.902 -5.922 1.00 1.53 C ATOM 959 CG MET A 91 3.994 12.261 -6.558 1.00 2.33 C ATOM 960 SD MET A 91 4.241 12.233 -8.346 1.00 3.24 S ATOM 961 CE MET A 91 3.785 13.910 -8.780 1.00 3.94 C ATOM 0 H MET A 91 2.647 12.458 -4.196 1.00 0.72 H new ATOM 0 HA MET A 91 3.943 9.799 -4.127 1.00 1.00 H new ATOM 0 HB2 MET A 91 5.271 10.609 -6.105 1.00 1.53 H new ATOM 0 HB3 MET A 91 3.604 10.165 -6.417 1.00 1.53 H new ATOM 0 HG2 MET A 91 2.977 12.586 -6.339 1.00 2.33 H new ATOM 0 HG3 MET A 91 4.666 12.994 -6.112 1.00 2.33 H new ATOM 0 HE1 MET A 91 3.886 14.048 -9.857 1.00 3.94 H new ATOM 0 HE2 MET A 91 2.751 14.094 -8.486 1.00 3.94 H new ATOM 0 HE3 MET A 91 4.439 14.611 -8.261 1.00 3.94 H new ATOM 971 N PHE A 92 5.913 10.781 -3.003 1.00 0.98 N ATOM 972 CA PHE A 92 6.940 11.328 -2.134 1.00 1.01 C ATOM 973 C PHE A 92 8.058 10.310 -1.965 1.00 0.90 C ATOM 974 O PHE A 92 7.806 9.108 -1.905 1.00 0.85 O ATOM 975 CB PHE A 92 6.324 11.687 -0.773 1.00 1.24 C ATOM 976 CG PHE A 92 7.300 12.233 0.236 1.00 1.49 C ATOM 977 CD1 PHE A 92 7.802 13.518 0.112 1.00 1.94 C ATOM 978 CD2 PHE A 92 7.708 11.462 1.315 1.00 1.58 C ATOM 979 CE1 PHE A 92 8.692 14.023 1.041 1.00 2.47 C ATOM 980 CE2 PHE A 92 8.598 11.963 2.247 1.00 2.01 C ATOM 981 CZ PHE A 92 9.091 13.244 2.110 1.00 2.46 C ATOM 0 H PHE A 92 5.907 9.762 -3.056 1.00 0.98 H new ATOM 0 HA PHE A 92 7.356 12.233 -2.578 1.00 1.01 H new ATOM 0 HB2 PHE A 92 5.535 12.422 -0.929 1.00 1.24 H new ATOM 0 HB3 PHE A 92 5.852 10.797 -0.357 1.00 1.24 H new ATOM 0 HD1 PHE A 92 7.494 14.133 -0.721 1.00 1.94 H new ATOM 0 HD2 PHE A 92 7.326 10.458 1.428 1.00 1.58 H new ATOM 0 HE1 PHE A 92 9.076 15.027 0.931 1.00 2.47 H new ATOM 0 HE2 PHE A 92 8.907 11.352 3.082 1.00 2.01 H new ATOM 0 HZ PHE A 92 9.787 13.637 2.836 1.00 2.46 H new ATOM 991 N GLU A 93 9.288 10.778 -1.905 1.00 0.98 N ATOM 992 CA GLU A 93 10.412 9.896 -1.661 1.00 0.97 C ATOM 993 C GLU A 93 10.698 9.843 -0.169 1.00 1.21 C ATOM 994 O GLU A 93 11.243 10.789 0.412 1.00 1.50 O ATOM 995 CB GLU A 93 11.637 10.356 -2.450 1.00 1.18 C ATOM 996 CG GLU A 93 11.463 10.181 -3.949 1.00 1.33 C ATOM 997 CD GLU A 93 12.565 10.817 -4.764 1.00 1.57 C ATOM 998 OE1 GLU A 93 13.743 10.722 -4.361 1.00 1.97 O ATOM 999 OE2 GLU A 93 12.260 11.406 -5.825 1.00 1.92 O ATOM 0 H GLU A 93 9.535 11.761 -2.021 1.00 0.98 H new ATOM 0 HA GLU A 93 10.166 8.891 -2.002 1.00 0.97 H new ATOM 0 HB2 GLU A 93 11.834 11.405 -2.230 1.00 1.18 H new ATOM 0 HB3 GLU A 93 12.510 9.792 -2.121 1.00 1.18 H new ATOM 0 HG2 GLU A 93 11.420 9.117 -4.180 1.00 1.33 H new ATOM 0 HG3 GLU A 93 10.507 10.611 -4.248 1.00 1.33 H new ATOM 1006 N TYR A 94 10.323 8.727 0.439 1.00 1.23 N ATOM 1007 CA TYR A 94 10.330 8.590 1.884 1.00 1.60 C ATOM 1008 C TYR A 94 11.437 7.649 2.337 1.00 1.67 C ATOM 1009 O TYR A 94 11.500 6.494 1.915 1.00 1.62 O ATOM 1010 CB TYR A 94 8.962 8.069 2.343 1.00 1.88 C ATOM 1011 CG TYR A 94 8.799 7.940 3.843 1.00 2.23 C ATOM 1012 CD1 TYR A 94 8.631 6.696 4.439 1.00 2.63 C ATOM 1013 CD2 TYR A 94 8.840 9.061 4.664 1.00 2.62 C ATOM 1014 CE1 TYR A 94 8.508 6.573 5.809 1.00 3.18 C ATOM 1015 CE2 TYR A 94 8.714 8.946 6.034 1.00 3.33 C ATOM 1016 CZ TYR A 94 8.450 7.703 6.592 1.00 3.51 C ATOM 1017 OH TYR A 94 8.436 7.583 7.970 1.00 4.29 O ATOM 0 H TYR A 94 10.006 7.894 -0.056 1.00 1.23 H new ATOM 0 HA TYR A 94 10.521 9.564 2.334 1.00 1.60 H new ATOM 0 HB2 TYR A 94 8.189 8.738 1.964 1.00 1.88 H new ATOM 0 HB3 TYR A 94 8.790 7.093 1.888 1.00 1.88 H new ATOM 0 HD1 TYR A 94 8.596 5.811 3.821 1.00 2.63 H new ATOM 0 HD2 TYR A 94 8.973 10.038 4.223 1.00 2.62 H new ATOM 0 HE1 TYR A 94 8.458 5.595 6.264 1.00 3.18 H new ATOM 0 HE2 TYR A 94 8.820 9.815 6.666 1.00 3.33 H new ATOM 0 HH TYR A 94 8.394 8.474 8.376 1.00 4.29 H new ATOM 1170 N LYS A 104 15.363 3.635 1.322 1.00 1.52 N ATOM 1171 CA LYS A 104 14.678 4.747 0.694 1.00 1.37 C ATOM 1172 C LYS A 104 13.672 4.219 -0.304 1.00 1.18 C ATOM 1173 O LYS A 104 14.025 3.415 -1.175 1.00 1.26 O ATOM 1174 CB LYS A 104 15.685 5.642 -0.033 1.00 1.53 C ATOM 1175 CG LYS A 104 15.044 6.747 -0.861 1.00 1.64 C ATOM 1176 CD LYS A 104 15.984 7.240 -1.945 1.00 2.24 C ATOM 1177 CE LYS A 104 15.292 8.219 -2.882 1.00 2.60 C ATOM 1178 NZ LYS A 104 15.101 9.557 -2.261 1.00 3.12 N ATOM 0 HA LYS A 104 14.169 5.329 1.462 1.00 1.37 H new ATOM 0 HB2 LYS A 104 16.352 6.093 0.702 1.00 1.53 H new ATOM 0 HB3 LYS A 104 16.301 5.023 -0.686 1.00 1.53 H new ATOM 0 HG2 LYS A 104 14.124 6.377 -1.315 1.00 1.64 H new ATOM 0 HG3 LYS A 104 14.768 7.577 -0.211 1.00 1.64 H new ATOM 0 HD2 LYS A 104 16.848 7.722 -1.487 1.00 2.24 H new ATOM 0 HD3 LYS A 104 16.359 6.391 -2.517 1.00 2.24 H new ATOM 0 HE2 LYS A 104 15.881 8.325 -3.793 1.00 2.60 H new ATOM 0 HE3 LYS A 104 14.323 7.815 -3.174 1.00 2.60 H new ATOM 0 HZ1 LYS A 104 14.581 10.173 -2.918 1.00 3.12 H new ATOM 0 HZ2 LYS A 104 14.560 9.456 -1.379 1.00 3.12 H new ATOM 0 HZ3 LYS A 104 16.029 9.978 -2.052 1.00 3.12 H new ATOM 1192 N VAL A 105 12.424 4.646 -0.174 1.00 1.04 N ATOM 1193 CA VAL A 105 11.416 4.308 -1.151 1.00 0.90 C ATOM 1194 C VAL A 105 10.785 5.557 -1.723 1.00 0.72 C ATOM 1195 O VAL A 105 10.902 6.643 -1.164 1.00 0.75 O ATOM 1196 CB VAL A 105 10.456 3.522 -0.675 1.00 1.00 C ATOM 1197 CG1 VAL A 105 11.001 2.143 -0.327 1.00 1.23 C ATOM 1198 CG2 VAL A 105 9.757 4.145 0.527 1.00 1.11 C ATOM 0 H VAL A 105 12.093 5.225 0.598 1.00 1.04 H new ATOM 0 HA VAL A 105 11.939 3.752 -1.929 1.00 0.90 H new ATOM 0 HB VAL A 105 9.712 3.408 -1.464 1.00 1.00 H new ATOM 0 HG11 VAL A 105 10.195 1.520 0.060 1.00 1.23 H new ATOM 0 HG12 VAL A 105 11.419 1.681 -1.221 1.00 1.23 H new ATOM 0 HG13 VAL A 105 11.780 2.240 0.429 1.00 1.23 H new ATOM 0 HG21 VAL A 105 8.979 3.471 0.886 1.00 1.11 H new ATOM 0 HG22 VAL A 105 10.483 4.317 1.322 1.00 1.11 H new ATOM 0 HG23 VAL A 105 9.308 5.094 0.235 1.00 1.11 H new ATOM 1208 N LYS A 106 10.174 5.400 -2.868 1.00 0.64 N ATOM 1209 CA LYS A 106 9.376 6.449 -3.454 1.00 0.59 C ATOM 1210 C LYS A 106 7.956 5.958 -3.563 1.00 0.53 C ATOM 1211 O LYS A 106 7.691 4.956 -4.229 1.00 0.68 O ATOM 1212 CB LYS A 106 9.912 6.858 -4.826 1.00 0.79 C ATOM 1213 CG LYS A 106 9.152 8.023 -5.433 1.00 1.39 C ATOM 1214 CD LYS A 106 9.919 8.655 -6.579 1.00 1.61 C ATOM 1215 CE LYS A 106 9.271 9.959 -7.017 1.00 2.08 C ATOM 1216 NZ LYS A 106 10.178 10.774 -7.866 1.00 2.36 N ATOM 0 H LYS A 106 10.214 4.544 -3.421 1.00 0.64 H new ATOM 0 HA LYS A 106 9.420 7.334 -2.819 1.00 0.59 H new ATOM 0 HB2 LYS A 106 10.965 7.126 -4.734 1.00 0.79 H new ATOM 0 HB3 LYS A 106 9.858 6.004 -5.501 1.00 0.79 H new ATOM 0 HG2 LYS A 106 8.182 7.678 -5.790 1.00 1.39 H new ATOM 0 HG3 LYS A 106 8.961 8.773 -4.665 1.00 1.39 H new ATOM 0 HD2 LYS A 106 10.948 8.842 -6.273 1.00 1.61 H new ATOM 0 HD3 LYS A 106 9.957 7.963 -7.421 1.00 1.61 H new ATOM 0 HE2 LYS A 106 8.356 9.742 -7.568 1.00 2.08 H new ATOM 0 HE3 LYS A 106 8.984 10.535 -6.137 1.00 2.08 H new ATOM 0 HZ1 LYS A 106 9.655 11.585 -8.253 1.00 2.36 H new ATOM 0 HZ2 LYS A 106 10.975 11.117 -7.293 1.00 2.36 H new ATOM 0 HZ3 LYS A 106 10.540 10.191 -8.647 1.00 2.36 H new ATOM 1230 N VAL A 107 7.051 6.634 -2.888 1.00 0.47 N ATOM 1231 CA VAL A 107 5.673 6.195 -2.866 1.00 0.49 C ATOM 1232 C VAL A 107 4.830 6.967 -3.844 1.00 0.45 C ATOM 1233 O VAL A 107 5.087 8.138 -4.130 1.00 0.74 O ATOM 1234 CB VAL A 107 5.100 6.270 -1.667 1.00 0.60 C ATOM 1235 CG1 VAL A 107 5.617 5.159 -0.760 1.00 0.99 C ATOM 1236 CG2 VAL A 107 5.308 7.630 -1.013 1.00 1.11 C ATOM 0 H VAL A 107 7.242 7.481 -2.353 1.00 0.47 H new ATOM 0 HA VAL A 107 5.719 5.144 -3.150 1.00 0.49 H new ATOM 0 HB VAL A 107 4.027 6.143 -1.813 1.00 0.60 H new ATOM 0 HG11 VAL A 107 5.139 5.234 0.217 1.00 0.99 H new ATOM 0 HG12 VAL A 107 5.386 4.190 -1.203 1.00 0.99 H new ATOM 0 HG13 VAL A 107 6.696 5.257 -0.644 1.00 0.99 H new ATOM 0 HG21 VAL A 107 4.822 7.643 -0.037 1.00 1.11 H new ATOM 0 HG22 VAL A 107 6.375 7.815 -0.890 1.00 1.11 H new ATOM 0 HG23 VAL A 107 4.875 8.407 -1.643 1.00 1.11 H new ATOM 1246 N HIS A 108 3.889 6.265 -4.429 1.00 0.30 N ATOM 1247 CA HIS A 108 2.808 6.895 -5.129 1.00 0.31 C ATOM 1248 C HIS A 108 1.533 6.164 -4.782 1.00 0.28 C ATOM 1249 O HIS A 108 1.275 5.062 -5.268 1.00 0.31 O ATOM 1250 CB HIS A 108 3.032 6.894 -6.644 1.00 0.43 C ATOM 1251 CG HIS A 108 2.005 7.689 -7.394 1.00 0.56 C ATOM 1252 ND1 HIS A 108 1.293 7.195 -8.465 1.00 0.94 N ATOM 1253 CD2 HIS A 108 1.577 8.962 -7.221 1.00 0.71 C ATOM 1254 CE1 HIS A 108 0.477 8.129 -8.914 1.00 1.01 C ATOM 1255 NE2 HIS A 108 0.630 9.212 -8.180 1.00 0.80 N ATOM 0 H HIS A 108 3.856 5.246 -4.430 1.00 0.30 H new ATOM 0 HA HIS A 108 2.745 7.939 -4.823 1.00 0.31 H new ATOM 0 HB2 HIS A 108 4.022 7.297 -6.859 1.00 0.43 H new ATOM 0 HB3 HIS A 108 3.021 5.866 -7.006 1.00 0.43 H new ATOM 0 HD2 HIS A 108 1.919 9.654 -6.466 1.00 0.71 H new ATOM 0 HE1 HIS A 108 -0.204 8.023 -9.746 1.00 1.01 H new ATOM 0 HE2 HIS A 108 0.127 10.091 -8.305 1.00 0.80 H new ATOM 1264 N MET A 109 0.756 6.776 -3.925 1.00 0.31 N ATOM 1265 CA MET A 109 -0.538 6.250 -3.571 1.00 0.33 C ATOM 1266 C MET A 109 -1.547 6.999 -4.385 1.00 0.37 C ATOM 1267 O MET A 109 -1.395 8.199 -4.589 1.00 0.55 O ATOM 1268 CB MET A 109 -0.837 6.423 -2.076 1.00 0.43 C ATOM 1269 CG MET A 109 0.172 5.760 -1.149 1.00 0.77 C ATOM 1270 SD MET A 109 1.719 6.678 -1.020 1.00 1.28 S ATOM 1271 CE MET A 109 1.148 8.219 -0.304 1.00 2.22 C ATOM 0 H MET A 109 1.000 7.648 -3.455 1.00 0.31 H new ATOM 0 HA MET A 109 -0.570 5.179 -3.773 1.00 0.33 H new ATOM 0 HB2 MET A 109 -0.876 7.488 -1.847 1.00 0.43 H new ATOM 0 HB3 MET A 109 -1.826 6.015 -1.867 1.00 0.43 H new ATOM 0 HG2 MET A 109 -0.267 5.657 -0.157 1.00 0.77 H new ATOM 0 HG3 MET A 109 0.382 4.753 -1.510 1.00 0.77 H new ATOM 0 HE1 MET A 109 2.006 8.827 -0.017 1.00 2.22 H new ATOM 0 HE2 MET A 109 0.548 8.760 -1.036 1.00 2.22 H new ATOM 0 HE3 MET A 109 0.542 8.008 0.577 1.00 2.22 H new ATOM 1281 N LYS A 110 -2.547 6.320 -4.880 1.00 0.27 N ATOM 1282 CA LYS A 110 -3.516 6.982 -5.709 1.00 0.30 C ATOM 1283 C LYS A 110 -4.892 6.466 -5.406 1.00 0.24 C ATOM 1284 O LYS A 110 -5.127 5.260 -5.420 1.00 0.24 O ATOM 1285 CB LYS A 110 -3.193 6.808 -7.199 1.00 0.43 C ATOM 1286 CG LYS A 110 -2.797 5.394 -7.581 1.00 0.64 C ATOM 1287 CD LYS A 110 -3.288 5.018 -8.970 1.00 0.78 C ATOM 1288 CE LYS A 110 -2.773 5.963 -10.042 1.00 1.38 C ATOM 1289 NZ LYS A 110 -3.291 5.599 -11.386 1.00 1.73 N ATOM 0 H LYS A 110 -2.710 5.325 -4.727 1.00 0.27 H new ATOM 0 HA LYS A 110 -3.479 8.048 -5.486 1.00 0.30 H new ATOM 0 HB2 LYS A 110 -4.063 7.102 -7.786 1.00 0.43 H new ATOM 0 HB3 LYS A 110 -2.383 7.487 -7.467 1.00 0.43 H new ATOM 0 HG2 LYS A 110 -1.712 5.299 -7.543 1.00 0.64 H new ATOM 0 HG3 LYS A 110 -3.204 4.694 -6.851 1.00 0.64 H new ATOM 0 HD2 LYS A 110 -2.970 4.002 -9.202 1.00 0.78 H new ATOM 0 HD3 LYS A 110 -4.378 5.021 -8.980 1.00 0.78 H new ATOM 0 HE2 LYS A 110 -3.070 6.984 -9.801 1.00 1.38 H new ATOM 0 HE3 LYS A 110 -1.683 5.942 -10.053 1.00 1.38 H new ATOM 0 HZ1 LYS A 110 -2.919 6.265 -12.093 1.00 1.73 H new ATOM 0 HZ2 LYS A 110 -2.987 4.634 -11.626 1.00 1.73 H new ATOM 0 HZ3 LYS A 110 -4.330 5.643 -11.381 1.00 1.73 H new ATOM 1303 N LYS A 111 -5.783 7.379 -5.088 1.00 0.23 N ATOM 1304 CA LYS A 111 -7.160 7.058 -4.964 1.00 0.22 C ATOM 1305 C LYS A 111 -7.647 6.468 -6.269 1.00 0.22 C ATOM 1306 O LYS A 111 -7.770 7.170 -7.276 1.00 0.29 O ATOM 1307 CB LYS A 111 -7.899 8.327 -4.615 1.00 0.28 C ATOM 1308 CG LYS A 111 -9.409 8.178 -4.590 1.00 0.35 C ATOM 1309 CD LYS A 111 -10.081 9.474 -4.191 1.00 0.53 C ATOM 1310 CE LYS A 111 -11.590 9.374 -4.338 1.00 0.91 C ATOM 1311 NZ LYS A 111 -12.289 10.557 -3.772 1.00 1.78 N ATOM 0 H LYS A 111 -5.559 8.358 -4.911 1.00 0.23 H new ATOM 0 HA LYS A 111 -7.333 6.320 -4.180 1.00 0.22 H new ATOM 0 HB2 LYS A 111 -7.563 8.673 -3.638 1.00 0.28 H new ATOM 0 HB3 LYS A 111 -7.633 9.100 -5.336 1.00 0.28 H new ATOM 0 HG2 LYS A 111 -9.763 7.870 -5.574 1.00 0.35 H new ATOM 0 HG3 LYS A 111 -9.688 7.390 -3.890 1.00 0.35 H new ATOM 0 HD2 LYS A 111 -9.828 9.716 -3.159 1.00 0.53 H new ATOM 0 HD3 LYS A 111 -9.705 10.288 -4.810 1.00 0.53 H new ATOM 0 HE2 LYS A 111 -11.845 9.274 -5.393 1.00 0.91 H new ATOM 0 HE3 LYS A 111 -11.943 8.472 -3.838 1.00 0.91 H new ATOM 0 HZ1 LYS A 111 -12.932 10.251 -3.014 1.00 1.78 H new ATOM 0 HZ2 LYS A 111 -11.589 11.222 -3.385 1.00 1.78 H new ATOM 0 HZ3 LYS A 111 -12.836 11.028 -4.521 1.00 1.78 H new ATOM 1325 N ALA A 112 -7.866 5.160 -6.244 1.00 0.22 N ATOM 1326 CA ALA A 112 -8.197 4.410 -7.433 1.00 0.26 C ATOM 1327 C ALA A 112 -9.351 5.064 -8.163 1.00 0.38 C ATOM 1328 O ALA A 112 -10.392 5.343 -7.565 1.00 0.45 O ATOM 1329 CB ALA A 112 -8.554 2.978 -7.074 1.00 0.33 C ATOM 0 H ALA A 112 -7.818 4.596 -5.396 1.00 0.22 H new ATOM 0 HA ALA A 112 -7.326 4.400 -8.088 1.00 0.26 H new ATOM 0 HB1 ALA A 112 -8.801 2.426 -7.981 1.00 0.33 H new ATOM 0 HB2 ALA A 112 -7.705 2.504 -6.581 1.00 0.33 H new ATOM 0 HB3 ALA A 112 -9.412 2.974 -6.402 1.00 0.33 H new ATOM 1335 N LEU A 113 -9.171 5.316 -9.448 1.00 0.47 N ATOM 1336 CA LEU A 113 -10.231 5.902 -10.253 1.00 0.64 C ATOM 1337 C LEU A 113 -11.359 4.896 -10.436 1.00 0.76 C ATOM 1338 O LEU A 113 -12.417 5.214 -10.980 1.00 0.96 O ATOM 1339 CB LEU A 113 -9.700 6.382 -11.609 1.00 0.76 C ATOM 1340 CG LEU A 113 -8.879 7.684 -11.584 1.00 1.55 C ATOM 1341 CD1 LEU A 113 -9.654 8.796 -10.891 1.00 2.27 C ATOM 1342 CD2 LEU A 113 -7.526 7.476 -10.913 1.00 2.39 C ATOM 0 H LEU A 113 -8.307 5.126 -9.955 1.00 0.47 H new ATOM 0 HA LEU A 113 -10.620 6.775 -9.729 1.00 0.64 H new ATOM 0 HB2 LEU A 113 -9.081 5.593 -12.036 1.00 0.76 H new ATOM 0 HB3 LEU A 113 -10.547 6.522 -12.281 1.00 0.76 H new ATOM 0 HG LEU A 113 -8.697 7.980 -12.617 1.00 1.55 H new ATOM 0 HD11 LEU A 113 -9.056 9.707 -10.884 1.00 2.27 H new ATOM 0 HD12 LEU A 113 -10.586 8.978 -11.426 1.00 2.27 H new ATOM 0 HD13 LEU A 113 -9.876 8.500 -9.866 1.00 2.27 H new ATOM 0 HD21 LEU A 113 -6.972 8.415 -10.912 1.00 2.39 H new ATOM 0 HD22 LEU A 113 -7.677 7.143 -9.886 1.00 2.39 H new ATOM 0 HD23 LEU A 113 -6.961 6.722 -11.460 1.00 2.39 H new ATOM 1354 N SER A 114 -11.107 3.675 -9.977 1.00 0.73 N ATOM 1355 CA SER A 114 -12.124 2.644 -9.900 1.00 0.92 C ATOM 1356 C SER A 114 -13.119 2.972 -8.788 1.00 0.93 C ATOM 1357 O SER A 114 -14.275 2.555 -8.831 1.00 1.27 O ATOM 1358 CB SER A 114 -11.459 1.292 -9.634 1.00 1.04 C ATOM 1359 OG SER A 114 -10.376 1.077 -10.526 1.00 1.66 O ATOM 0 H SER A 114 -10.189 3.376 -9.648 1.00 0.73 H new ATOM 0 HA SER A 114 -12.664 2.597 -10.846 1.00 0.92 H new ATOM 0 HB2 SER A 114 -11.101 1.254 -8.605 1.00 1.04 H new ATOM 0 HB3 SER A 114 -12.192 0.493 -9.746 1.00 1.04 H new ATOM 0 HG SER A 114 -9.964 0.208 -10.337 1.00 1.66 H new ATOM 1365 N GLY A 115 -12.656 3.729 -7.793 1.00 0.71 N ATOM 1366 CA GLY A 115 -13.519 4.153 -6.709 1.00 0.79 C ATOM 1367 C GLY A 115 -13.399 3.274 -5.478 1.00 0.78 C ATOM 1368 O GLY A 115 -13.167 2.069 -5.590 1.00 1.52 O ATOM 0 H GLY A 115 -11.692 4.056 -7.722 1.00 0.71 H new ATOM 0 HA2 GLY A 115 -13.277 5.181 -6.440 1.00 0.79 H new ATOM 0 HA3 GLY A 115 -14.553 4.149 -7.052 1.00 0.79 H new ATOM 1372 N ASP A 116 -13.521 3.897 -4.303 1.00 0.72 N ATOM 1373 CA ASP A 116 -13.570 3.181 -3.021 1.00 0.85 C ATOM 1374 C ASP A 116 -12.360 2.279 -2.818 1.00 0.80 C ATOM 1375 O ASP A 116 -12.456 1.192 -2.247 1.00 1.40 O ATOM 1376 CB ASP A 116 -14.866 2.372 -2.913 1.00 1.25 C ATOM 1377 CG ASP A 116 -16.094 3.257 -2.911 1.00 2.10 C ATOM 1378 OD1 ASP A 116 -16.460 3.766 -1.830 1.00 2.63 O ATOM 1379 OD2 ASP A 116 -16.695 3.460 -3.989 1.00 2.79 O ATOM 0 H ASP A 116 -13.589 4.911 -4.211 1.00 0.72 H new ATOM 0 HA ASP A 116 -13.548 3.930 -2.230 1.00 0.85 H new ATOM 0 HB2 ASP A 116 -14.926 1.672 -3.747 1.00 1.25 H new ATOM 0 HB3 ASP A 116 -14.847 1.778 -1.999 1.00 1.25 H new ATOM 1384 N SER A 117 -11.219 2.769 -3.249 1.00 0.42 N ATOM 1385 CA SER A 117 -9.967 2.040 -3.154 1.00 0.29 C ATOM 1386 C SER A 117 -8.798 2.978 -3.425 1.00 0.22 C ATOM 1387 O SER A 117 -8.983 4.057 -3.991 1.00 0.25 O ATOM 1388 CB SER A 117 -9.963 0.865 -4.128 1.00 0.34 C ATOM 1389 OG SER A 117 -10.501 1.235 -5.386 1.00 0.44 O ATOM 0 H SER A 117 -11.130 3.690 -3.678 1.00 0.42 H new ATOM 0 HA SER A 117 -9.861 1.642 -2.145 1.00 0.29 H new ATOM 0 HB2 SER A 117 -8.943 0.502 -4.259 1.00 0.34 H new ATOM 0 HB3 SER A 117 -10.543 0.042 -3.710 1.00 0.34 H new ATOM 0 HG SER A 117 -11.465 1.389 -5.297 1.00 0.44 H new ATOM 1395 N TYR A 118 -7.615 2.587 -2.985 1.00 0.19 N ATOM 1396 CA TYR A 118 -6.405 3.387 -3.181 1.00 0.19 C ATOM 1397 C TYR A 118 -5.225 2.478 -3.514 1.00 0.20 C ATOM 1398 O TYR A 118 -5.087 1.400 -2.937 1.00 0.25 O ATOM 1399 CB TYR A 118 -6.088 4.206 -1.919 1.00 0.22 C ATOM 1400 CG TYR A 118 -7.262 4.963 -1.367 1.00 0.23 C ATOM 1401 CD1 TYR A 118 -8.004 4.451 -0.322 1.00 0.30 C ATOM 1402 CD2 TYR A 118 -7.620 6.191 -1.889 1.00 0.25 C ATOM 1403 CE1 TYR A 118 -9.079 5.146 0.199 1.00 0.35 C ATOM 1404 CE2 TYR A 118 -8.693 6.895 -1.380 1.00 0.30 C ATOM 1405 CZ TYR A 118 -9.441 6.353 -0.361 1.00 0.34 C ATOM 1406 OH TYR A 118 -10.482 7.070 0.183 1.00 0.42 O ATOM 0 H TYR A 118 -7.460 1.712 -2.484 1.00 0.19 H new ATOM 0 HA TYR A 118 -6.577 4.073 -4.010 1.00 0.19 H new ATOM 0 HB2 TYR A 118 -5.708 3.534 -1.149 1.00 0.22 H new ATOM 0 HB3 TYR A 118 -5.290 4.912 -2.148 1.00 0.22 H new ATOM 0 HD1 TYR A 118 -7.740 3.491 0.096 1.00 0.30 H new ATOM 0 HD2 TYR A 118 -7.052 6.607 -2.708 1.00 0.25 H new ATOM 0 HE1 TYR A 118 -9.631 4.747 1.037 1.00 0.35 H new ATOM 0 HE2 TYR A 118 -8.944 7.866 -1.780 1.00 0.30 H new ATOM 0 HH TYR A 118 -10.610 7.898 -0.326 1.00 0.42 H new ATOM 1416 N TRP A 119 -4.381 2.895 -4.447 1.00 0.20 N ATOM 1417 CA TRP A 119 -3.240 2.101 -4.825 1.00 0.22 C ATOM 1418 C TRP A 119 -2.021 2.496 -4.014 1.00 0.25 C ATOM 1419 O TRP A 119 -1.966 3.580 -3.432 1.00 0.27 O ATOM 1420 CB TRP A 119 -2.911 2.304 -6.294 1.00 0.25 C ATOM 1421 CG TRP A 119 -3.956 1.848 -7.261 1.00 0.26 C ATOM 1422 CD1 TRP A 119 -5.196 2.385 -7.460 1.00 0.27 C ATOM 1423 CD2 TRP A 119 -3.822 0.783 -8.199 1.00 0.30 C ATOM 1424 NE1 TRP A 119 -5.847 1.694 -8.459 1.00 0.32 N ATOM 1425 CE2 TRP A 119 -5.021 0.704 -8.924 1.00 0.33 C ATOM 1426 CE3 TRP A 119 -2.799 -0.122 -8.484 1.00 0.34 C ATOM 1427 CZ2 TRP A 119 -5.223 -0.245 -9.923 1.00 0.40 C ATOM 1428 CZ3 TRP A 119 -2.996 -1.059 -9.467 1.00 0.40 C ATOM 1429 CH2 TRP A 119 -4.199 -1.121 -10.180 1.00 0.42 C ATOM 0 H TRP A 119 -4.472 3.778 -4.950 1.00 0.20 H new ATOM 0 HA TRP A 119 -3.492 1.057 -4.637 1.00 0.22 H new ATOM 0 HB2 TRP A 119 -2.724 3.365 -6.462 1.00 0.25 H new ATOM 0 HB3 TRP A 119 -1.983 1.778 -6.516 1.00 0.25 H new ATOM 0 HD1 TRP A 119 -5.605 3.224 -6.917 1.00 0.27 H new ATOM 0 HE1 TRP A 119 -6.790 1.888 -8.797 1.00 0.32 H new ATOM 0 HE3 TRP A 119 -1.867 -0.086 -7.940 1.00 0.34 H new ATOM 0 HZ2 TRP A 119 -6.151 -0.290 -10.474 1.00 0.40 H new ATOM 0 HZ3 TRP A 119 -2.208 -1.762 -9.695 1.00 0.40 H new ATOM 0 HH2 TRP A 119 -4.323 -1.872 -10.946 1.00 0.42 H new ATOM 1440 N VAL A 120 -1.044 1.611 -4.019 1.00 0.28 N ATOM 1441 CA VAL A 120 0.227 1.818 -3.337 1.00 0.32 C ATOM 1442 C VAL A 120 1.375 1.377 -4.247 1.00 0.34 C ATOM 1443 O VAL A 120 1.584 0.182 -4.460 1.00 0.43 O ATOM 1444 CB VAL A 120 0.287 1.124 -2.201 1.00 0.38 C ATOM 1445 CG1 VAL A 120 1.631 1.334 -1.506 1.00 0.56 C ATOM 1446 CG2 VAL A 120 -0.852 1.477 -1.254 1.00 0.62 C ATOM 0 H VAL A 120 -1.107 0.715 -4.502 1.00 0.28 H new ATOM 0 HA VAL A 120 0.313 2.879 -3.102 1.00 0.32 H new ATOM 0 HB VAL A 120 0.184 0.072 -2.466 1.00 0.38 H new ATOM 0 HG11 VAL A 120 1.656 0.758 -0.581 1.00 0.56 H new ATOM 0 HG12 VAL A 120 2.436 1.003 -2.162 1.00 0.56 H new ATOM 0 HG13 VAL A 120 1.761 2.392 -1.278 1.00 0.56 H new ATOM 0 HG21 VAL A 120 -0.763 0.887 -0.342 1.00 0.62 H new ATOM 0 HG22 VAL A 120 -0.804 2.538 -1.007 1.00 0.62 H new ATOM 0 HG23 VAL A 120 -1.806 1.259 -1.735 1.00 0.62 H new ATOM 1456 N PHE A 121 2.097 2.336 -4.805 1.00 0.34 N ATOM 1457 CA PHE A 121 3.277 2.031 -5.606 1.00 0.42 C ATOM 1458 C PHE A 121 4.532 2.455 -4.856 1.00 0.40 C ATOM 1459 O PHE A 121 4.662 3.618 -4.471 1.00 0.49 O ATOM 1460 CB PHE A 121 3.236 2.759 -6.950 1.00 0.61 C ATOM 1461 CG PHE A 121 2.073 2.398 -7.833 1.00 0.49 C ATOM 1462 CD1 PHE A 121 0.797 2.843 -7.527 1.00 0.52 C ATOM 1463 CD2 PHE A 121 2.248 1.608 -8.957 1.00 0.98 C ATOM 1464 CE1 PHE A 121 -0.279 2.505 -8.325 1.00 0.96 C ATOM 1465 CE2 PHE A 121 1.176 1.269 -9.758 1.00 1.49 C ATOM 1466 CZ PHE A 121 -0.061 1.745 -9.489 1.00 1.45 C ATOM 0 H PHE A 121 1.889 3.331 -4.720 1.00 0.34 H new ATOM 0 HA PHE A 121 3.290 0.956 -5.788 1.00 0.42 H new ATOM 0 HB2 PHE A 121 3.212 3.833 -6.764 1.00 0.61 H new ATOM 0 HB3 PHE A 121 4.160 2.549 -7.488 1.00 0.61 H new ATOM 0 HD1 PHE A 121 0.642 3.461 -6.655 1.00 0.52 H new ATOM 0 HD2 PHE A 121 3.236 1.253 -9.210 1.00 0.98 H new ATOM 0 HE1 PHE A 121 -1.277 2.821 -8.058 1.00 0.96 H new ATOM 0 HE2 PHE A 121 1.326 0.618 -10.607 1.00 1.49 H new ATOM 0 HZ PHE A 121 -0.878 1.543 -10.165 1.00 1.45 H new ATOM 1476 N VAL A 122 5.443 1.517 -4.632 1.00 0.49 N ATOM 1477 CA VAL A 122 6.709 1.830 -3.987 1.00 0.61 C ATOM 1478 C VAL A 122 7.890 1.522 -4.896 1.00 0.73 C ATOM 1479 O VAL A 122 7.774 0.756 -5.852 1.00 0.95 O ATOM 1480 CB VAL A 122 6.871 1.190 -2.833 1.00 0.77 C ATOM 1481 CG1 VAL A 122 5.851 1.662 -1.805 1.00 1.61 C ATOM 1482 CG2 VAL A 122 6.791 -0.321 -3.008 1.00 1.52 C ATOM 0 H VAL A 122 5.328 0.536 -4.887 1.00 0.49 H new ATOM 0 HA VAL A 122 6.676 2.900 -3.782 1.00 0.61 H new ATOM 0 HB VAL A 122 7.870 1.428 -2.468 1.00 0.77 H new ATOM 0 HG11 VAL A 122 6.003 1.125 -0.869 1.00 1.61 H new ATOM 0 HG12 VAL A 122 5.975 2.731 -1.634 1.00 1.61 H new ATOM 0 HG13 VAL A 122 4.844 1.468 -2.176 1.00 1.61 H new ATOM 0 HG21 VAL A 122 6.928 -0.807 -2.042 1.00 1.52 H new ATOM 0 HG22 VAL A 122 5.815 -0.589 -3.414 1.00 1.52 H new ATOM 0 HG23 VAL A 122 7.572 -0.650 -3.694 1.00 1.52 H new ATOM 1492 N LYS A 123 9.008 2.166 -4.615 1.00 0.76 N ATOM 1493 CA LYS A 123 10.233 1.962 -5.371 1.00 0.97 C ATOM 1494 C LYS A 123 11.443 2.244 -4.489 1.00 1.04 C ATOM 1495 O LYS A 123 11.633 3.374 -4.045 1.00 1.02 O ATOM 1496 CB LYS A 123 10.263 2.888 -6.591 1.00 1.11 C ATOM 1497 CG LYS A 123 11.511 2.738 -7.446 1.00 1.66 C ATOM 1498 CD LYS A 123 11.676 3.921 -8.386 1.00 2.03 C ATOM 1499 CE LYS A 123 12.865 3.752 -9.321 1.00 2.74 C ATOM 1500 NZ LYS A 123 14.136 3.487 -8.593 1.00 3.45 N ATOM 0 H LYS A 123 9.094 2.844 -3.858 1.00 0.76 H new ATOM 0 HA LYS A 123 10.265 0.926 -5.708 1.00 0.97 H new ATOM 0 HB2 LYS A 123 9.386 2.690 -7.207 1.00 1.11 H new ATOM 0 HB3 LYS A 123 10.188 3.921 -6.253 1.00 1.11 H new ATOM 0 HG2 LYS A 123 12.388 2.655 -6.804 1.00 1.66 H new ATOM 0 HG3 LYS A 123 11.451 1.816 -8.024 1.00 1.66 H new ATOM 0 HD2 LYS A 123 10.767 4.044 -8.975 1.00 2.03 H new ATOM 0 HD3 LYS A 123 11.802 4.832 -7.801 1.00 2.03 H new ATOM 0 HE2 LYS A 123 12.667 2.930 -10.009 1.00 2.74 H new ATOM 0 HE3 LYS A 123 12.978 4.652 -9.925 1.00 2.74 H new ATOM 0 HZ1 LYS A 123 14.933 3.532 -9.259 1.00 3.45 H new ATOM 0 HZ2 LYS A 123 14.266 4.202 -7.849 1.00 3.45 H new ATOM 0 HZ3 LYS A 123 14.098 2.542 -8.161 1.00 3.45 H new