USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=12 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 -107:sc= 1.05 USER MOD Set 1.2: A 87 ASN : amide:sc= 0.763 K(o=1.8,f=-1.6!) USER MOD Single : A 32 GLN : amide:sc= -1.91 K(o=-1.9,f=-7.7!) USER MOD Single : A 38 ASN : amide:sc= -0.0156 X(o=-0.016,f=-0.016) USER MOD Single : A 41 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.017) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.232 X(o=0.23,f=-0.2) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -152:sc= 0.0206 (180deg=-0.129) USER MOD Single : A 89 ASN : amide:sc= 0.382 X(o=0.38,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.23 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= 1.18 (180deg=1.08) USER MOD Single : A 106 LYS NZ :NH3+ -132:sc= 1.26 (180deg=0.856) USER MOD Single : A 108 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-0.33) USER MOD Single : A 109 MET CE :methyl 144:sc= -2.86 (180deg=-7.42!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -169:sc= 1.22 (180deg=1.11) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 149:sc= -3.08! USER MOD Single : A 118 TYR OH : rot 62:sc= 0.651 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 29 6.081 -2.895 -6.870 1.00 1.43 N ATOM 51 CA GLY A 29 5.709 -1.510 -7.047 1.00 0.99 C ATOM 52 C GLY A 29 4.229 -1.247 -6.868 1.00 0.78 C ATOM 53 O GLY A 29 3.800 -0.801 -5.807 1.00 1.00 O ATOM 0 HA2 GLY A 29 6.266 -0.900 -6.335 1.00 0.99 H new ATOM 0 HA3 GLY A 29 6.008 -1.188 -8.045 1.00 0.99 H new ATOM 57 N ALA A 30 3.445 -1.548 -7.893 1.00 0.70 N ATOM 58 CA ALA A 30 2.067 -1.087 -7.953 1.00 0.54 C ATOM 59 C ALA A 30 1.078 -2.123 -7.432 1.00 0.49 C ATOM 60 O ALA A 30 0.742 -3.086 -8.121 1.00 0.60 O ATOM 61 CB ALA A 30 1.708 -0.707 -9.380 1.00 0.68 C ATOM 0 H ALA A 30 3.739 -2.108 -8.693 1.00 0.70 H new ATOM 0 HA ALA A 30 1.994 -0.215 -7.304 1.00 0.54 H new ATOM 0 HB1 ALA A 30 0.674 -0.363 -9.416 1.00 0.68 H new ATOM 0 HB2 ALA A 30 2.368 0.091 -9.721 1.00 0.68 H new ATOM 0 HB3 ALA A 30 1.824 -1.576 -10.028 1.00 0.68 H new ATOM 67 N ILE A 31 0.606 -1.915 -6.221 1.00 0.40 N ATOM 68 CA ILE A 31 -0.454 -2.731 -5.664 1.00 0.39 C ATOM 69 C ILE A 31 -1.580 -1.825 -5.182 1.00 0.35 C ATOM 70 O ILE A 31 -1.338 -0.712 -4.714 1.00 0.36 O ATOM 71 CB ILE A 31 0.011 -3.562 -4.721 1.00 0.46 C ATOM 72 CG1 ILE A 31 -1.069 -4.405 -4.037 1.00 0.48 C ATOM 73 CG2 ILE A 31 0.875 -2.830 -3.697 1.00 0.52 C ATOM 74 CD1 ILE A 31 -1.725 -3.773 -2.818 1.00 0.90 C ATOM 0 H ILE A 31 0.943 -1.181 -5.598 1.00 0.40 H new ATOM 0 HA ILE A 31 -0.865 -3.383 -6.435 1.00 0.39 H new ATOM 0 HB ILE A 31 0.641 -4.273 -5.257 1.00 0.46 H new ATOM 0 HG12 ILE A 31 -1.845 -4.631 -4.768 1.00 0.48 H new ATOM 0 HG13 ILE A 31 -0.627 -5.355 -3.737 1.00 0.48 H new ATOM 0 HG21 ILE A 31 1.232 -3.538 -2.950 1.00 0.52 H new ATOM 0 HG22 ILE A 31 1.727 -2.373 -4.200 1.00 0.52 H new ATOM 0 HG23 ILE A 31 0.283 -2.056 -3.209 1.00 0.52 H new ATOM 0 HD11 ILE A 31 -2.473 -4.455 -2.413 1.00 0.90 H new ATOM 0 HD12 ILE A 31 -0.968 -3.573 -2.060 1.00 0.90 H new ATOM 0 HD13 ILE A 31 -2.205 -2.838 -3.107 1.00 0.90 H new ATOM 86 N GLN A 32 -2.808 -2.250 -5.417 1.00 0.38 N ATOM 87 CA GLN A 32 -3.959 -1.423 -5.096 1.00 0.40 C ATOM 88 C GLN A 32 -4.810 -2.057 -4.012 1.00 0.37 C ATOM 89 O GLN A 32 -5.067 -3.269 -4.019 1.00 0.44 O ATOM 90 CB GLN A 32 -4.795 -1.133 -6.351 1.00 0.50 C ATOM 91 CG GLN A 32 -5.588 -2.307 -6.901 1.00 0.55 C ATOM 92 CD GLN A 32 -7.063 -2.232 -6.547 1.00 1.11 C ATOM 93 OE1 GLN A 32 -7.443 -1.695 -5.508 1.00 2.22 O ATOM 94 NE2 GLN A 32 -7.904 -2.762 -7.414 1.00 0.93 N ATOM 0 H GLN A 32 -3.034 -3.157 -5.826 1.00 0.38 H new ATOM 0 HA GLN A 32 -3.586 -0.474 -4.711 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -5.489 -0.324 -6.124 1.00 0.50 H new ATOM 0 HB3 GLN A 32 -4.128 -0.770 -7.133 1.00 0.50 H new ATOM 0 HG2 GLN A 32 -5.479 -2.338 -7.985 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -5.172 -3.236 -6.512 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -7.551 -3.199 -8.265 1.00 0.93 H new ATOM 0 HE22 GLN A 32 -8.907 -2.735 -7.233 1.00 0.93 H new ATOM 103 N LEU A 33 -5.225 -1.230 -3.077 1.00 0.34 N ATOM 104 CA LEU A 33 -6.072 -1.671 -1.983 1.00 0.36 C ATOM 105 C LEU A 33 -7.143 -0.636 -1.699 1.00 0.35 C ATOM 106 O LEU A 33 -6.991 0.532 -2.032 1.00 0.43 O ATOM 107 CB LEU A 33 -5.214 -1.959 -0.744 1.00 0.45 C ATOM 108 CG LEU A 33 -4.272 -0.834 -0.297 1.00 0.46 C ATOM 109 CD1 LEU A 33 -5.006 0.200 0.541 1.00 0.72 C ATOM 110 CD2 LEU A 33 -3.093 -1.405 0.474 1.00 0.71 C ATOM 0 H LEU A 33 -4.988 -0.238 -3.051 1.00 0.34 H new ATOM 0 HA LEU A 33 -6.577 -2.596 -2.263 1.00 0.36 H new ATOM 0 HB2 LEU A 33 -5.879 -2.199 0.085 1.00 0.45 H new ATOM 0 HB3 LEU A 33 -4.616 -2.849 -0.940 1.00 0.45 H new ATOM 0 HG LEU A 33 -3.898 -0.335 -1.191 1.00 0.46 H new ATOM 0 HD11 LEU A 33 -4.311 0.984 0.842 1.00 0.72 H new ATOM 0 HD12 LEU A 33 -5.814 0.637 -0.046 1.00 0.72 H new ATOM 0 HD13 LEU A 33 -5.420 -0.278 1.429 1.00 0.72 H new ATOM 0 HD21 LEU A 33 -2.434 -0.594 0.784 1.00 0.71 H new ATOM 0 HD22 LEU A 33 -3.456 -1.934 1.355 1.00 0.71 H new ATOM 0 HD23 LEU A 33 -2.542 -2.097 -0.163 1.00 0.71 H new ATOM 122 N ASP A 34 -8.237 -1.062 -1.111 1.00 0.35 N ATOM 123 CA ASP A 34 -9.315 -0.133 -0.810 1.00 0.45 C ATOM 124 C ASP A 34 -9.084 0.540 0.533 1.00 0.53 C ATOM 125 O ASP A 34 -8.392 0.012 1.405 1.00 0.58 O ATOM 126 CB ASP A 34 -10.701 -0.802 -0.870 1.00 0.55 C ATOM 127 CG ASP A 34 -10.924 -1.901 0.152 1.00 0.65 C ATOM 128 OD1 ASP A 34 -10.613 -1.701 1.339 1.00 0.88 O ATOM 129 OD2 ASP A 34 -11.466 -2.957 -0.227 1.00 1.15 O ATOM 0 H ASP A 34 -8.408 -2.028 -0.833 1.00 0.35 H new ATOM 0 HA ASP A 34 -9.307 0.633 -1.585 1.00 0.45 H new ATOM 0 HB2 ASP A 34 -11.464 -0.036 -0.731 1.00 0.55 H new ATOM 0 HB3 ASP A 34 -10.845 -1.218 -1.867 1.00 0.55 H new ATOM 134 N GLY A 35 -9.666 1.721 0.684 1.00 0.67 N ATOM 135 CA GLY A 35 -9.526 2.479 1.913 1.00 0.84 C ATOM 136 C GLY A 35 -10.451 1.970 2.998 1.00 0.85 C ATOM 137 O GLY A 35 -10.671 2.632 4.013 1.00 1.20 O ATOM 0 H GLY A 35 -10.238 2.172 -0.030 1.00 0.67 H new ATOM 0 HA2 GLY A 35 -8.494 2.422 2.259 1.00 0.84 H new ATOM 0 HA3 GLY A 35 -9.739 3.530 1.718 1.00 0.84 H new ATOM 141 N ASP A 36 -10.988 0.787 2.775 1.00 0.69 N ATOM 142 CA ASP A 36 -11.909 0.165 3.704 1.00 0.83 C ATOM 143 C ASP A 36 -11.176 -0.886 4.527 1.00 0.83 C ATOM 144 O ASP A 36 -11.561 -1.193 5.656 1.00 1.10 O ATOM 145 CB ASP A 36 -13.068 -0.457 2.926 1.00 0.89 C ATOM 146 CG ASP A 36 -14.162 -1.011 3.816 1.00 1.24 C ATOM 147 OD1 ASP A 36 -14.616 -2.152 3.586 1.00 1.81 O ATOM 148 OD2 ASP A 36 -14.551 -0.312 4.775 1.00 1.77 O ATOM 0 H ASP A 36 -10.797 0.229 1.943 1.00 0.69 H new ATOM 0 HA ASP A 36 -12.311 0.913 4.387 1.00 0.83 H new ATOM 0 HB2 ASP A 36 -13.496 0.295 2.263 1.00 0.89 H new ATOM 0 HB3 ASP A 36 -12.683 -1.258 2.294 1.00 0.89 H new ATOM 153 N GLY A 37 -10.107 -1.425 3.956 1.00 0.67 N ATOM 154 CA GLY A 37 -9.252 -2.335 4.691 1.00 0.81 C ATOM 155 C GLY A 37 -9.030 -3.658 3.983 1.00 0.78 C ATOM 156 O GLY A 37 -8.810 -4.681 4.633 1.00 1.05 O ATOM 0 H GLY A 37 -9.817 -1.247 2.994 1.00 0.67 H new ATOM 0 HA2 GLY A 37 -8.288 -1.857 4.863 1.00 0.81 H new ATOM 0 HA3 GLY A 37 -9.692 -2.525 5.670 1.00 0.81 H new ATOM 160 N ASN A 38 -9.084 -3.654 2.655 1.00 0.61 N ATOM 161 CA ASN A 38 -8.876 -4.876 1.885 1.00 0.73 C ATOM 162 C ASN A 38 -7.921 -4.638 0.727 1.00 0.57 C ATOM 163 O ASN A 38 -7.947 -3.585 0.091 1.00 0.49 O ATOM 164 CB ASN A 38 -10.197 -5.403 1.322 1.00 0.95 C ATOM 165 CG ASN A 38 -11.268 -5.574 2.377 1.00 1.13 C ATOM 166 OD1 ASN A 38 -11.383 -6.628 3.002 1.00 1.57 O ATOM 167 ND2 ASN A 38 -12.064 -4.538 2.576 1.00 1.38 N ATOM 0 H ASN A 38 -9.269 -2.824 2.092 1.00 0.61 H new ATOM 0 HA ASN A 38 -8.448 -5.611 2.567 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -10.557 -4.717 0.555 1.00 0.95 H new ATOM 0 HB3 ASN A 38 -10.020 -6.362 0.834 1.00 0.95 H new ATOM 0 HD21 ASN A 38 -12.809 -4.593 3.270 1.00 1.38 H new ATOM 0 HD22 ASN A 38 -11.933 -3.683 2.035 1.00 1.38 H new ATOM 174 N ILE A 39 -7.074 -5.622 0.455 1.00 0.65 N ATOM 175 CA ILE A 39 -6.232 -5.596 -0.725 1.00 0.57 C ATOM 176 C ILE A 39 -7.000 -6.206 -1.896 1.00 0.59 C ATOM 177 O ILE A 39 -7.612 -7.266 -1.755 1.00 0.77 O ATOM 178 CB ILE A 39 -5.093 -6.249 -0.519 1.00 0.62 C ATOM 179 CG1 ILE A 39 -4.269 -5.555 0.563 1.00 0.72 C ATOM 180 CG2 ILE A 39 -4.281 -6.365 -1.809 1.00 0.61 C ATOM 181 CD1 ILE A 39 -2.994 -6.280 0.926 1.00 1.18 C ATOM 0 H ILE A 39 -6.955 -6.449 1.040 1.00 0.65 H new ATOM 0 HA ILE A 39 -5.974 -4.562 -0.955 1.00 0.57 H new ATOM 0 HB ILE A 39 -5.340 -7.256 -0.183 1.00 0.62 H new ATOM 0 HG12 ILE A 39 -4.019 -4.549 0.225 1.00 0.72 H new ATOM 0 HG13 ILE A 39 -4.881 -5.448 1.458 1.00 0.72 H new ATOM 0 HG21 ILE A 39 -3.355 -6.904 -1.609 1.00 0.61 H new ATOM 0 HG22 ILE A 39 -4.861 -6.906 -2.557 1.00 0.61 H new ATOM 0 HG23 ILE A 39 -4.047 -5.368 -2.183 1.00 0.61 H new ATOM 0 HD11 ILE A 39 -2.467 -5.723 1.701 1.00 1.18 H new ATOM 0 HD12 ILE A 39 -3.235 -7.277 1.296 1.00 1.18 H new ATOM 0 HD13 ILE A 39 -2.359 -6.364 0.044 1.00 1.18 H new ATOM 193 N LEU A 40 -7.010 -5.517 -3.029 1.00 0.51 N ATOM 194 CA LEU A 40 -7.861 -5.916 -4.145 1.00 0.61 C ATOM 195 C LEU A 40 -7.052 -6.501 -5.297 1.00 0.60 C ATOM 196 O LEU A 40 -7.377 -7.576 -5.811 1.00 0.72 O ATOM 197 CB LEU A 40 -8.680 -4.721 -4.635 1.00 0.66 C ATOM 198 CG LEU A 40 -9.515 -4.023 -3.561 1.00 1.07 C ATOM 199 CD1 LEU A 40 -10.290 -2.862 -4.165 1.00 1.56 C ATOM 200 CD2 LEU A 40 -10.463 -5.010 -2.896 1.00 1.54 C ATOM 0 H LEU A 40 -6.444 -4.686 -3.201 1.00 0.51 H new ATOM 0 HA LEU A 40 -8.532 -6.695 -3.784 1.00 0.61 H new ATOM 0 HB2 LEU A 40 -8.001 -3.991 -5.077 1.00 0.66 H new ATOM 0 HB3 LEU A 40 -9.346 -5.058 -5.429 1.00 0.66 H new ATOM 0 HG LEU A 40 -8.841 -3.630 -2.800 1.00 1.07 H new ATOM 0 HD11 LEU A 40 -10.880 -2.375 -3.388 1.00 1.56 H new ATOM 0 HD12 LEU A 40 -9.592 -2.143 -4.595 1.00 1.56 H new ATOM 0 HD13 LEU A 40 -10.954 -3.234 -4.945 1.00 1.56 H new ATOM 0 HD21 LEU A 40 -11.049 -4.495 -2.135 1.00 1.54 H new ATOM 0 HD22 LEU A 40 -11.133 -5.432 -3.645 1.00 1.54 H new ATOM 0 HD23 LEU A 40 -9.887 -5.811 -2.431 1.00 1.54 H new ATOM 212 N GLN A 41 -6.004 -5.798 -5.710 1.00 0.50 N ATOM 213 CA GLN A 41 -5.199 -6.246 -6.843 1.00 0.55 C ATOM 214 C GLN A 41 -3.716 -5.975 -6.618 1.00 0.46 C ATOM 215 O GLN A 41 -3.317 -4.853 -6.306 1.00 0.46 O ATOM 216 CB GLN A 41 -5.659 -5.565 -8.134 1.00 0.67 C ATOM 217 CG GLN A 41 -4.953 -6.082 -9.380 1.00 1.08 C ATOM 218 CD GLN A 41 -5.353 -5.342 -10.643 1.00 1.73 C ATOM 219 OE1 GLN A 41 -5.359 -5.909 -11.734 1.00 2.41 O ATOM 220 NE2 GLN A 41 -5.679 -4.067 -10.510 1.00 2.37 N ATOM 0 H GLN A 41 -5.693 -4.925 -5.284 1.00 0.50 H new ATOM 0 HA GLN A 41 -5.339 -7.323 -6.936 1.00 0.55 H new ATOM 0 HB2 GLN A 41 -6.733 -5.710 -8.249 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.489 -4.492 -8.049 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -3.875 -5.995 -9.242 1.00 1.08 H new ATOM 0 HG3 GLN A 41 -5.175 -7.142 -9.502 1.00 1.08 H new ATOM 0 HE21 GLN A 41 -5.663 -3.630 -9.589 1.00 2.37 H new ATOM 0 HE22 GLN A 41 -5.947 -3.521 -11.329 1.00 2.37 H new ATOM 229 N TYR A 42 -2.909 -7.007 -6.803 1.00 0.57 N ATOM 230 CA TYR A 42 -1.470 -6.913 -6.620 1.00 0.58 C ATOM 231 C TYR A 42 -0.751 -7.100 -7.957 1.00 0.65 C ATOM 232 O TYR A 42 -0.980 -8.086 -8.658 1.00 0.79 O ATOM 233 CB TYR A 42 -1.035 -7.966 -5.590 1.00 0.71 C ATOM 234 CG TYR A 42 0.449 -8.248 -5.535 1.00 0.82 C ATOM 235 CD1 TYR A 42 0.923 -9.532 -5.770 1.00 1.09 C ATOM 236 CD2 TYR A 42 1.371 -7.249 -5.248 1.00 0.82 C ATOM 237 CE1 TYR A 42 2.270 -9.818 -5.714 1.00 1.26 C ATOM 238 CE2 TYR A 42 2.726 -7.529 -5.194 1.00 1.02 C ATOM 239 CZ TYR A 42 3.168 -8.816 -5.430 1.00 1.21 C ATOM 240 OH TYR A 42 4.511 -9.105 -5.375 1.00 1.42 O ATOM 0 H TYR A 42 -3.233 -7.933 -7.084 1.00 0.57 H new ATOM 0 HA TYR A 42 -1.202 -5.925 -6.247 1.00 0.58 H new ATOM 0 HB2 TYR A 42 -1.362 -7.640 -4.603 1.00 0.71 H new ATOM 0 HB3 TYR A 42 -1.557 -8.898 -5.807 1.00 0.71 H new ATOM 0 HD1 TYR A 42 0.223 -10.321 -6.001 1.00 1.09 H new ATOM 0 HD2 TYR A 42 1.027 -6.242 -5.065 1.00 0.82 H new ATOM 0 HE1 TYR A 42 2.619 -10.824 -5.892 1.00 1.26 H new ATOM 0 HE2 TYR A 42 3.434 -6.745 -4.968 1.00 1.02 H new ATOM 0 HH TYR A 42 5.013 -8.290 -5.165 1.00 1.42 H new ATOM 250 N ASN A 43 0.096 -6.140 -8.321 1.00 0.63 N ATOM 251 CA ASN A 43 0.797 -6.187 -9.604 1.00 0.75 C ATOM 252 C ASN A 43 2.296 -6.013 -9.397 1.00 0.92 C ATOM 253 O ASN A 43 2.775 -4.903 -9.155 1.00 1.02 O ATOM 254 CB ASN A 43 0.312 -5.084 -10.552 1.00 0.78 C ATOM 255 CG ASN A 43 -1.194 -4.920 -10.584 1.00 0.73 C ATOM 256 OD1 ASN A 43 -1.893 -5.593 -11.341 1.00 1.21 O ATOM 257 ND2 ASN A 43 -1.699 -4.001 -9.771 1.00 0.88 N ATOM 0 H ASN A 43 0.314 -5.324 -7.750 1.00 0.63 H new ATOM 0 HA ASN A 43 0.585 -7.160 -10.047 1.00 0.75 H new ATOM 0 HB2 ASN A 43 0.764 -4.138 -10.254 1.00 0.78 H new ATOM 0 HB3 ASN A 43 0.665 -5.303 -11.560 1.00 0.78 H new ATOM 0 HD21 ASN A 43 -2.704 -3.829 -9.757 1.00 0.88 H new ATOM 0 HD22 ASN A 43 -1.082 -3.466 -9.160 1.00 0.88 H new ATOM 756 N GLY A 77 1.092 6.640 2.802 1.00 3.20 N ATOM 757 CA GLY A 77 1.164 7.901 2.098 1.00 2.71 C ATOM 758 C GLY A 77 -0.014 8.778 2.430 1.00 1.94 C ATOM 759 O GLY A 77 -0.911 8.943 1.610 1.00 2.44 O ATOM 0 HA2 GLY A 77 2.089 8.415 2.361 1.00 2.71 H new ATOM 0 HA3 GLY A 77 1.194 7.720 1.024 1.00 2.71 H new ATOM 763 N LYS A 78 -0.023 9.311 3.658 1.00 1.39 N ATOM 764 CA LYS A 78 -1.122 10.153 4.139 1.00 1.29 C ATOM 765 C LYS A 78 -2.389 9.307 4.316 1.00 1.03 C ATOM 766 O LYS A 78 -3.462 9.828 4.596 1.00 1.02 O ATOM 767 CB LYS A 78 -1.376 11.296 3.138 1.00 2.10 C ATOM 768 CG LYS A 78 -2.266 12.415 3.648 1.00 2.61 C ATOM 769 CD LYS A 78 -1.513 13.343 4.583 1.00 3.18 C ATOM 770 CE LYS A 78 -2.293 14.619 4.836 1.00 3.78 C ATOM 771 NZ LYS A 78 -1.495 15.622 5.583 1.00 4.14 N ATOM 0 H LYS A 78 0.724 9.172 4.339 1.00 1.39 H new ATOM 0 HA LYS A 78 -0.852 10.583 5.104 1.00 1.29 H new ATOM 0 HB2 LYS A 78 -0.416 11.721 2.845 1.00 2.10 H new ATOM 0 HB3 LYS A 78 -1.826 10.876 2.238 1.00 2.10 H new ATOM 0 HG2 LYS A 78 -2.655 12.985 2.804 1.00 2.61 H new ATOM 0 HG3 LYS A 78 -3.124 11.990 4.169 1.00 2.61 H new ATOM 0 HD2 LYS A 78 -1.324 12.835 5.529 1.00 3.18 H new ATOM 0 HD3 LYS A 78 -0.542 13.587 4.153 1.00 3.18 H new ATOM 0 HE2 LYS A 78 -2.610 15.045 3.884 1.00 3.78 H new ATOM 0 HE3 LYS A 78 -3.198 14.385 5.397 1.00 3.78 H new ATOM 0 HZ1 LYS A 78 -2.066 16.478 5.734 1.00 4.14 H new ATOM 0 HZ2 LYS A 78 -1.214 15.227 6.503 1.00 4.14 H new ATOM 0 HZ3 LYS A 78 -0.644 15.866 5.037 1.00 4.14 H new ATOM 785 N PHE A 79 -2.218 7.986 4.227 1.00 0.95 N ATOM 786 CA PHE A 79 -3.327 7.039 4.062 1.00 0.77 C ATOM 787 C PHE A 79 -4.510 7.299 4.995 1.00 0.70 C ATOM 788 O PHE A 79 -5.673 7.215 4.554 1.00 0.64 O ATOM 789 CB PHE A 79 -2.836 5.601 4.256 1.00 0.88 C ATOM 790 CG PHE A 79 -3.839 4.575 3.806 1.00 0.79 C ATOM 791 CD1 PHE A 79 -4.678 3.942 4.710 1.00 0.86 C ATOM 792 CD2 PHE A 79 -3.947 4.258 2.465 1.00 0.78 C ATOM 793 CE1 PHE A 79 -5.609 3.015 4.276 1.00 0.85 C ATOM 794 CE2 PHE A 79 -4.870 3.333 2.027 1.00 0.84 C ATOM 795 CZ PHE A 79 -5.701 2.709 2.931 1.00 0.82 C ATOM 0 H PHE A 79 -1.302 7.539 4.267 1.00 0.95 H new ATOM 0 HA PHE A 79 -3.689 7.187 3.045 1.00 0.77 H new ATOM 0 HB2 PHE A 79 -1.908 5.462 3.702 1.00 0.88 H new ATOM 0 HB3 PHE A 79 -2.606 5.440 5.309 1.00 0.88 H new ATOM 0 HD1 PHE A 79 -4.604 4.174 5.762 1.00 0.86 H new ATOM 0 HD2 PHE A 79 -3.299 4.742 1.750 1.00 0.78 H new ATOM 0 HE1 PHE A 79 -6.263 2.531 4.987 1.00 0.85 H new ATOM 0 HE2 PHE A 79 -4.942 3.098 0.975 1.00 0.84 H new ATOM 0 HZ PHE A 79 -6.423 1.982 2.590 1.00 0.82 H new ATOM 805 N LYS A 80 -4.223 7.640 6.263 1.00 0.82 N ATOM 806 CA LYS A 80 -5.278 7.757 7.267 1.00 0.89 C ATOM 807 C LYS A 80 -6.238 8.883 6.901 1.00 0.81 C ATOM 808 O LYS A 80 -7.450 8.762 7.074 1.00 0.87 O ATOM 809 CB LYS A 80 -4.686 7.994 8.659 1.00 1.12 C ATOM 810 CG LYS A 80 -5.690 7.847 9.802 1.00 1.66 C ATOM 811 CD LYS A 80 -6.020 6.386 10.104 1.00 2.17 C ATOM 812 CE LYS A 80 -6.944 5.762 9.062 1.00 2.87 C ATOM 813 NZ LYS A 80 -8.316 6.338 9.107 1.00 3.48 N ATOM 0 H LYS A 80 -3.283 7.835 6.607 1.00 0.82 H new ATOM 0 HA LYS A 80 -5.831 6.818 7.288 1.00 0.89 H new ATOM 0 HB2 LYS A 80 -3.867 7.292 8.817 1.00 1.12 H new ATOM 0 HB3 LYS A 80 -4.258 8.996 8.693 1.00 1.12 H new ATOM 0 HG2 LYS A 80 -5.287 8.318 10.698 1.00 1.66 H new ATOM 0 HG3 LYS A 80 -6.607 8.378 9.547 1.00 1.66 H new ATOM 0 HD2 LYS A 80 -5.095 5.812 10.153 1.00 2.17 H new ATOM 0 HD3 LYS A 80 -6.489 6.319 11.086 1.00 2.17 H new ATOM 0 HE2 LYS A 80 -6.522 5.912 8.068 1.00 2.87 H new ATOM 0 HE3 LYS A 80 -6.999 4.686 9.226 1.00 2.87 H new ATOM 0 HZ1 LYS A 80 -9.001 5.630 8.772 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -8.547 6.608 10.084 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -8.360 7.178 8.496 1.00 3.48 H new ATOM 827 N GLU A 81 -5.681 9.966 6.380 1.00 0.78 N ATOM 828 CA GLU A 81 -6.473 11.089 5.912 1.00 0.78 C ATOM 829 C GLU A 81 -6.844 10.878 4.452 1.00 0.62 C ATOM 830 O GLU A 81 -7.883 11.334 3.995 1.00 0.64 O ATOM 831 CB GLU A 81 -5.684 12.388 6.072 1.00 0.96 C ATOM 832 CG GLU A 81 -6.480 13.640 5.746 1.00 1.53 C ATOM 833 CD GLU A 81 -5.636 14.893 5.799 1.00 2.31 C ATOM 834 OE1 GLU A 81 -5.507 15.571 4.760 1.00 3.07 O ATOM 835 OE2 GLU A 81 -5.084 15.200 6.876 1.00 2.63 O ATOM 0 H GLU A 81 -4.674 10.089 6.271 1.00 0.78 H new ATOM 0 HA GLU A 81 -7.384 11.158 6.506 1.00 0.78 H new ATOM 0 HB2 GLU A 81 -5.322 12.457 7.098 1.00 0.96 H new ATOM 0 HB3 GLU A 81 -4.807 12.350 5.426 1.00 0.96 H new ATOM 0 HG2 GLU A 81 -6.916 13.541 4.752 1.00 1.53 H new ATOM 0 HG3 GLU A 81 -7.308 13.734 6.449 1.00 1.53 H new ATOM 842 N GLY A 82 -5.996 10.142 3.743 1.00 0.55 N ATOM 843 CA GLY A 82 -6.183 9.894 2.341 1.00 0.47 C ATOM 844 C GLY A 82 -7.532 9.289 2.047 1.00 0.46 C ATOM 845 O GLY A 82 -8.196 9.649 1.072 1.00 0.49 O ATOM 0 H GLY A 82 -5.162 9.705 4.136 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -6.078 10.829 1.791 1.00 0.47 H new ATOM 0 HA3 GLY A 82 -5.400 9.224 1.984 1.00 0.47 H new ATOM 849 N VAL A 83 -7.927 8.377 2.920 1.00 0.51 N ATOM 850 CA VAL A 83 -9.196 7.677 2.793 1.00 0.61 C ATOM 851 C VAL A 83 -10.367 8.639 2.950 1.00 0.70 C ATOM 852 O VAL A 83 -11.217 8.739 2.067 1.00 0.79 O ATOM 853 CB VAL A 83 -9.298 6.719 3.704 1.00 0.70 C ATOM 854 CG1 VAL A 83 -10.651 6.015 3.615 1.00 0.85 C ATOM 855 CG2 VAL A 83 -8.167 5.712 3.567 1.00 0.69 C ATOM 0 H VAL A 83 -7.379 8.101 3.735 1.00 0.51 H new ATOM 0 HA VAL A 83 -9.226 7.234 1.797 1.00 0.61 H new ATOM 0 HB VAL A 83 -9.222 7.189 4.684 1.00 0.70 H new ATOM 0 HG11 VAL A 83 -10.706 5.235 4.374 1.00 0.85 H new ATOM 0 HG12 VAL A 83 -11.449 6.739 3.780 1.00 0.85 H new ATOM 0 HG13 VAL A 83 -10.765 5.569 2.627 1.00 0.85 H new ATOM 0 HG21 VAL A 83 -8.275 4.938 4.326 1.00 0.69 H new ATOM 0 HG22 VAL A 83 -8.203 5.257 2.577 1.00 0.69 H new ATOM 0 HG23 VAL A 83 -7.211 6.218 3.699 1.00 0.69 H new ATOM 865 N ALA A 84 -10.370 9.386 4.046 1.00 0.76 N ATOM 866 CA ALA A 84 -11.520 10.202 4.407 1.00 0.94 C ATOM 867 C ALA A 84 -11.505 11.539 3.689 1.00 0.88 C ATOM 868 O ALA A 84 -12.542 12.185 3.535 1.00 1.07 O ATOM 869 CB ALA A 84 -11.580 10.402 5.913 1.00 1.12 C ATOM 0 H ALA A 84 -9.589 9.443 4.700 1.00 0.76 H new ATOM 0 HA ALA A 84 -12.416 9.669 4.089 1.00 0.94 H new ATOM 0 HB1 ALA A 84 -12.446 11.014 6.165 1.00 1.12 H new ATOM 0 HB2 ALA A 84 -11.665 9.433 6.406 1.00 1.12 H new ATOM 0 HB3 ALA A 84 -10.672 10.902 6.250 1.00 1.12 H new ATOM 875 N SER A 85 -10.331 11.960 3.263 1.00 0.76 N ATOM 876 CA SER A 85 -10.218 13.145 2.426 1.00 0.84 C ATOM 877 C SER A 85 -10.777 12.828 1.038 1.00 0.94 C ATOM 878 O SER A 85 -11.175 13.720 0.289 1.00 1.22 O ATOM 879 CB SER A 85 -8.759 13.616 2.340 1.00 1.19 C ATOM 880 OG SER A 85 -8.654 14.885 1.714 1.00 1.88 O ATOM 0 H SER A 85 -9.444 11.505 3.479 1.00 0.76 H new ATOM 0 HA SER A 85 -10.795 13.958 2.868 1.00 0.84 H new ATOM 0 HB2 SER A 85 -8.334 13.668 3.342 1.00 1.19 H new ATOM 0 HB3 SER A 85 -8.173 12.885 1.783 1.00 1.19 H new ATOM 0 HG SER A 85 -8.274 14.777 0.817 1.00 1.88 H new ATOM 886 N GLY A 86 -10.802 11.536 0.714 1.00 0.96 N ATOM 887 CA GLY A 86 -11.415 11.079 -0.515 1.00 1.46 C ATOM 888 C GLY A 86 -10.611 11.466 -1.733 1.00 1.21 C ATOM 889 O GLY A 86 -11.158 11.619 -2.822 1.00 1.66 O ATOM 0 H GLY A 86 -10.403 10.794 1.290 1.00 0.96 H new ATOM 0 HA2 GLY A 86 -11.524 9.995 -0.483 1.00 1.46 H new ATOM 0 HA3 GLY A 86 -12.418 11.498 -0.596 1.00 1.46 H new ATOM 893 N ASN A 87 -9.312 11.628 -1.545 1.00 0.66 N ATOM 894 CA ASN A 87 -8.433 12.029 -2.638 1.00 0.67 C ATOM 895 C ASN A 87 -6.989 11.653 -2.364 1.00 0.52 C ATOM 896 O ASN A 87 -6.069 12.431 -2.613 1.00 0.72 O ATOM 897 CB ASN A 87 -8.551 13.535 -2.928 1.00 0.95 C ATOM 898 CG ASN A 87 -8.339 14.422 -1.705 1.00 1.40 C ATOM 899 OD1 ASN A 87 -7.655 14.052 -0.747 1.00 2.08 O ATOM 900 ND2 ASN A 87 -8.918 15.613 -1.736 1.00 1.72 N ATOM 0 H ASN A 87 -8.841 11.489 -0.651 1.00 0.66 H new ATOM 0 HA ASN A 87 -8.759 11.484 -3.524 1.00 0.67 H new ATOM 0 HB2 ASN A 87 -7.821 13.806 -3.691 1.00 0.95 H new ATOM 0 HB3 ASN A 87 -9.538 13.738 -3.344 1.00 0.95 H new ATOM 0 HD21 ASN A 87 -8.805 16.256 -0.952 1.00 1.72 H new ATOM 0 HD22 ASN A 87 -9.477 15.887 -2.544 1.00 1.72 H new ATOM 907 N LEU A 88 -6.807 10.436 -1.891 1.00 0.40 N ATOM 908 CA LEU A 88 -5.493 9.916 -1.562 1.00 0.32 C ATOM 909 C LEU A 88 -4.623 9.761 -2.797 1.00 0.30 C ATOM 910 O LEU A 88 -4.584 8.697 -3.397 1.00 0.34 O ATOM 911 CB LEU A 88 -5.638 8.559 -0.894 1.00 0.37 C ATOM 912 CG LEU A 88 -4.614 8.280 0.172 1.00 0.42 C ATOM 913 CD1 LEU A 88 -4.957 6.999 0.915 1.00 0.56 C ATOM 914 CD2 LEU A 88 -3.207 8.212 -0.400 1.00 0.48 C ATOM 0 H LEU A 88 -7.568 9.778 -1.723 1.00 0.40 H new ATOM 0 HA LEU A 88 -5.014 10.628 -0.890 1.00 0.32 H new ATOM 0 HB2 LEU A 88 -6.632 8.489 -0.453 1.00 0.37 H new ATOM 0 HB3 LEU A 88 -5.572 7.783 -1.657 1.00 0.37 H new ATOM 0 HG LEU A 88 -4.637 9.111 0.877 1.00 0.42 H new ATOM 0 HD11 LEU A 88 -4.206 6.812 1.683 1.00 0.56 H new ATOM 0 HD12 LEU A 88 -5.936 7.101 1.382 1.00 0.56 H new ATOM 0 HD13 LEU A 88 -4.974 6.165 0.213 1.00 0.56 H new ATOM 0 HD21 LEU A 88 -2.498 8.009 0.402 1.00 0.48 H new ATOM 0 HD22 LEU A 88 -3.154 7.415 -1.142 1.00 0.48 H new ATOM 0 HD23 LEU A 88 -2.959 9.163 -0.871 1.00 0.48 H new ATOM 926 N ASN A 89 -3.940 10.812 -3.184 1.00 0.32 N ATOM 927 CA ASN A 89 -3.031 10.733 -4.308 1.00 0.34 C ATOM 928 C ASN A 89 -1.812 11.618 -4.066 1.00 0.40 C ATOM 929 O ASN A 89 -1.880 12.839 -4.210 1.00 0.50 O ATOM 930 CB ASN A 89 -3.766 11.117 -5.599 1.00 0.41 C ATOM 931 CG ASN A 89 -2.849 11.215 -6.810 1.00 1.12 C ATOM 932 OD1 ASN A 89 -3.071 12.033 -7.701 1.00 2.01 O ATOM 933 ND2 ASN A 89 -1.825 10.374 -6.866 1.00 1.62 N ATOM 0 H ASN A 89 -3.994 11.729 -2.741 1.00 0.32 H new ATOM 0 HA ASN A 89 -2.675 9.709 -4.416 1.00 0.34 H new ATOM 0 HB2 ASN A 89 -4.543 10.379 -5.799 1.00 0.41 H new ATOM 0 HB3 ASN A 89 -4.266 12.074 -5.453 1.00 0.41 H new ATOM 0 HD21 ASN A 89 -1.192 10.393 -7.666 1.00 1.62 H new ATOM 0 HD22 ASN A 89 -1.670 9.708 -6.109 1.00 1.62 H new ATOM 940 N THR A 90 -0.705 11.003 -3.659 1.00 0.39 N ATOM 941 CA THR A 90 0.525 11.727 -3.409 1.00 0.50 C ATOM 942 C THR A 90 1.723 10.857 -3.783 1.00 0.55 C ATOM 943 O THR A 90 1.649 9.627 -3.713 1.00 0.69 O ATOM 944 CB THR A 90 0.615 12.094 -2.128 1.00 0.68 C ATOM 945 OG1 THR A 90 -0.551 12.843 -1.743 1.00 1.67 O ATOM 946 CG2 THR A 90 1.854 12.933 -1.842 1.00 1.22 C ATOM 0 H THR A 90 -0.641 9.998 -3.496 1.00 0.39 H new ATOM 0 HA THR A 90 0.522 12.628 -4.023 1.00 0.50 H new ATOM 0 HB THR A 90 0.690 11.175 -1.547 1.00 0.68 H new ATOM 0 HG1 THR A 90 -0.475 13.106 -0.802 1.00 1.67 H new ATOM 0 HG21 THR A 90 1.875 13.203 -0.786 1.00 1.22 H new ATOM 0 HG22 THR A 90 2.747 12.359 -2.088 1.00 1.22 H new ATOM 0 HG23 THR A 90 1.828 13.839 -2.447 1.00 1.22 H new ATOM 954 N MET A 91 2.778 11.486 -4.278 1.00 0.72 N ATOM 955 CA MET A 91 4.043 10.803 -4.485 1.00 1.00 C ATOM 956 C MET A 91 5.098 11.395 -3.567 1.00 0.88 C ATOM 957 O MET A 91 5.438 12.575 -3.659 1.00 0.92 O ATOM 958 CB MET A 91 4.508 10.863 -5.948 1.00 1.53 C ATOM 959 CG MET A 91 4.495 12.255 -6.576 1.00 2.33 C ATOM 960 SD MET A 91 2.830 12.876 -6.900 1.00 3.24 S ATOM 961 CE MET A 91 3.202 14.502 -7.558 1.00 3.94 C ATOM 0 H MET A 91 2.782 12.471 -4.544 1.00 0.72 H new ATOM 0 HA MET A 91 3.895 9.750 -4.245 1.00 1.00 H new ATOM 0 HB2 MET A 91 5.521 10.464 -6.008 1.00 1.53 H new ATOM 0 HB3 MET A 91 3.872 10.207 -6.542 1.00 1.53 H new ATOM 0 HG2 MET A 91 5.012 12.950 -5.914 1.00 2.33 H new ATOM 0 HG3 MET A 91 5.054 12.230 -7.511 1.00 2.33 H new ATOM 0 HE1 MET A 91 2.273 15.015 -7.808 1.00 3.94 H new ATOM 0 HE2 MET A 91 3.747 15.081 -6.812 1.00 3.94 H new ATOM 0 HE3 MET A 91 3.813 14.400 -8.455 1.00 3.94 H new ATOM 971 N PHE A 92 5.587 10.570 -2.669 1.00 0.98 N ATOM 972 CA PHE A 92 6.573 10.991 -1.700 1.00 1.01 C ATOM 973 C PHE A 92 7.686 9.957 -1.640 1.00 0.90 C ATOM 974 O PHE A 92 7.480 8.799 -1.999 1.00 0.85 O ATOM 975 CB PHE A 92 5.905 11.154 -0.326 1.00 1.24 C ATOM 976 CG PHE A 92 6.757 11.840 0.706 1.00 1.49 C ATOM 977 CD1 PHE A 92 6.871 13.220 0.726 1.00 1.94 C ATOM 978 CD2 PHE A 92 7.450 11.101 1.651 1.00 1.58 C ATOM 979 CE1 PHE A 92 7.660 13.849 1.670 1.00 2.47 C ATOM 980 CE2 PHE A 92 8.239 11.726 2.598 1.00 2.01 C ATOM 981 CZ PHE A 92 8.319 13.113 2.618 1.00 2.46 C ATOM 0 H PHE A 92 5.313 9.591 -2.590 1.00 0.98 H new ATOM 0 HA PHE A 92 7.000 11.951 -1.992 1.00 1.01 H new ATOM 0 HB2 PHE A 92 4.982 11.720 -0.450 1.00 1.24 H new ATOM 0 HB3 PHE A 92 5.627 10.168 0.048 1.00 1.24 H new ATOM 0 HD1 PHE A 92 6.338 13.811 -0.004 1.00 1.94 H new ATOM 0 HD2 PHE A 92 7.373 10.024 1.648 1.00 1.58 H new ATOM 0 HE1 PHE A 92 7.757 14.925 1.660 1.00 2.47 H new ATOM 0 HE2 PHE A 92 8.790 11.140 3.318 1.00 2.01 H new ATOM 0 HZ PHE A 92 8.900 13.610 3.380 1.00 2.46 H new ATOM 991 N GLU A 93 8.866 10.376 -1.241 1.00 0.98 N ATOM 992 CA GLU A 93 9.962 9.449 -1.037 1.00 0.97 C ATOM 993 C GLU A 93 10.609 9.707 0.313 1.00 1.21 C ATOM 994 O GLU A 93 11.036 10.831 0.612 1.00 1.50 O ATOM 995 CB GLU A 93 10.981 9.549 -2.172 1.00 1.18 C ATOM 996 CG GLU A 93 11.392 10.967 -2.522 1.00 1.33 C ATOM 997 CD GLU A 93 12.231 11.014 -3.777 1.00 1.57 C ATOM 998 OE1 GLU A 93 13.464 11.149 -3.660 1.00 1.97 O ATOM 999 OE2 GLU A 93 11.664 10.934 -4.885 1.00 1.92 O ATOM 0 H GLU A 93 9.094 11.352 -1.051 1.00 0.98 H new ATOM 0 HA GLU A 93 9.570 8.432 -1.043 1.00 0.97 H new ATOM 0 HB2 GLU A 93 11.871 8.983 -1.896 1.00 1.18 H new ATOM 0 HB3 GLU A 93 10.565 9.074 -3.061 1.00 1.18 H new ATOM 0 HG2 GLU A 93 10.501 11.581 -2.657 1.00 1.33 H new ATOM 0 HG3 GLU A 93 11.953 11.398 -1.693 1.00 1.33 H new ATOM 1006 N TYR A 94 10.646 8.670 1.137 1.00 1.23 N ATOM 1007 CA TYR A 94 11.150 8.794 2.486 1.00 1.60 C ATOM 1008 C TYR A 94 12.271 7.800 2.721 1.00 1.67 C ATOM 1009 O TYR A 94 12.117 6.604 2.488 1.00 1.62 O ATOM 1010 CB TYR A 94 10.024 8.582 3.505 1.00 1.88 C ATOM 1011 CG TYR A 94 10.455 8.779 4.943 1.00 2.23 C ATOM 1012 CD1 TYR A 94 10.627 7.694 5.794 1.00 2.63 C ATOM 1013 CD2 TYR A 94 10.692 10.054 5.448 1.00 2.62 C ATOM 1014 CE1 TYR A 94 11.019 7.873 7.107 1.00 3.18 C ATOM 1015 CE2 TYR A 94 11.086 10.239 6.759 1.00 3.33 C ATOM 1016 CZ TYR A 94 11.248 9.146 7.584 1.00 3.51 C ATOM 1017 OH TYR A 94 11.641 9.326 8.893 1.00 4.29 O ATOM 0 H TYR A 94 10.330 7.732 0.889 1.00 1.23 H new ATOM 0 HA TYR A 94 11.544 9.802 2.616 1.00 1.60 H new ATOM 0 HB2 TYR A 94 9.210 9.272 3.282 1.00 1.88 H new ATOM 0 HB3 TYR A 94 9.627 7.573 3.389 1.00 1.88 H new ATOM 0 HD1 TYR A 94 10.452 6.695 5.423 1.00 2.63 H new ATOM 0 HD2 TYR A 94 10.566 10.912 4.805 1.00 2.62 H new ATOM 0 HE1 TYR A 94 11.145 7.019 7.757 1.00 3.18 H new ATOM 0 HE2 TYR A 94 11.266 11.235 7.136 1.00 3.33 H new ATOM 0 HH TYR A 94 11.761 10.282 9.070 1.00 4.29 H new ATOM 1170 N LYS A 104 15.819 4.231 1.330 1.00 1.52 N ATOM 1171 CA LYS A 104 15.064 5.220 0.578 1.00 1.37 C ATOM 1172 C LYS A 104 13.917 4.552 -0.177 1.00 1.18 C ATOM 1173 O LYS A 104 14.135 3.902 -1.209 1.00 1.26 O ATOM 1174 CB LYS A 104 15.983 5.951 -0.405 1.00 1.53 C ATOM 1175 CG LYS A 104 15.286 7.042 -1.201 1.00 1.64 C ATOM 1176 CD LYS A 104 16.161 7.538 -2.343 1.00 2.24 C ATOM 1177 CE LYS A 104 15.477 8.641 -3.133 1.00 2.60 C ATOM 1178 NZ LYS A 104 15.395 9.910 -2.362 1.00 3.12 N ATOM 0 HA LYS A 104 14.647 5.944 1.278 1.00 1.37 H new ATOM 0 HB2 LYS A 104 16.813 6.391 0.147 1.00 1.53 H new ATOM 0 HB3 LYS A 104 16.410 5.225 -1.097 1.00 1.53 H new ATOM 0 HG2 LYS A 104 14.346 6.660 -1.600 1.00 1.64 H new ATOM 0 HG3 LYS A 104 15.038 7.874 -0.542 1.00 1.64 H new ATOM 0 HD2 LYS A 104 17.106 7.907 -1.944 1.00 2.24 H new ATOM 0 HD3 LYS A 104 16.399 6.707 -3.008 1.00 2.24 H new ATOM 0 HE2 LYS A 104 16.023 8.815 -4.060 1.00 2.60 H new ATOM 0 HE3 LYS A 104 14.473 8.319 -3.410 1.00 2.60 H new ATOM 0 HZ1 LYS A 104 14.877 10.621 -2.917 1.00 3.12 H new ATOM 0 HZ2 LYS A 104 14.896 9.740 -1.465 1.00 3.12 H new ATOM 0 HZ3 LYS A 104 16.355 10.258 -2.163 1.00 3.12 H new ATOM 1192 N VAL A 105 12.701 4.693 0.349 1.00 1.04 N ATOM 1193 CA VAL A 105 11.535 4.116 -0.291 1.00 0.90 C ATOM 1194 C VAL A 105 10.687 5.181 -0.974 1.00 0.72 C ATOM 1195 O VAL A 105 10.825 6.379 -0.710 1.00 0.75 O ATOM 1196 CB VAL A 105 10.780 3.413 0.548 1.00 1.00 C ATOM 1197 CG1 VAL A 105 11.547 2.201 1.067 1.00 1.23 C ATOM 1198 CG2 VAL A 105 10.268 4.263 1.703 1.00 1.11 C ATOM 0 H VAL A 105 12.505 5.200 1.212 1.00 1.04 H new ATOM 0 HA VAL A 105 11.922 3.430 -1.044 1.00 0.90 H new ATOM 0 HB VAL A 105 9.908 3.066 -0.007 1.00 1.00 H new ATOM 0 HG11 VAL A 105 10.915 1.637 1.752 1.00 1.23 H new ATOM 0 HG12 VAL A 105 11.832 1.565 0.229 1.00 1.23 H new ATOM 0 HG13 VAL A 105 12.443 2.534 1.591 1.00 1.23 H new ATOM 0 HG21 VAL A 105 9.656 3.649 2.363 1.00 1.11 H new ATOM 0 HG22 VAL A 105 11.113 4.665 2.261 1.00 1.11 H new ATOM 0 HG23 VAL A 105 9.668 5.084 1.312 1.00 1.11 H new ATOM 1208 N LYS A 106 9.855 4.731 -1.892 1.00 0.64 N ATOM 1209 CA LYS A 106 8.961 5.607 -2.626 1.00 0.59 C ATOM 1210 C LYS A 106 7.522 5.229 -2.326 1.00 0.53 C ATOM 1211 O LYS A 106 7.206 4.046 -2.209 1.00 0.68 O ATOM 1212 CB LYS A 106 9.204 5.474 -4.134 1.00 0.79 C ATOM 1213 CG LYS A 106 10.626 5.791 -4.580 1.00 1.39 C ATOM 1214 CD LYS A 106 10.842 7.282 -4.801 1.00 1.61 C ATOM 1215 CE LYS A 106 9.890 7.840 -5.851 1.00 2.08 C ATOM 1216 NZ LYS A 106 10.325 9.168 -6.355 1.00 2.36 N ATOM 0 H LYS A 106 9.779 3.747 -2.151 1.00 0.64 H new ATOM 0 HA LYS A 106 9.151 6.636 -2.319 1.00 0.59 H new ATOM 0 HB2 LYS A 106 8.960 4.456 -4.439 1.00 0.79 H new ATOM 0 HB3 LYS A 106 8.517 6.137 -4.659 1.00 0.79 H new ATOM 0 HG2 LYS A 106 11.329 5.431 -3.829 1.00 1.39 H new ATOM 0 HG3 LYS A 106 10.844 5.254 -5.503 1.00 1.39 H new ATOM 0 HD2 LYS A 106 10.698 7.814 -3.860 1.00 1.61 H new ATOM 0 HD3 LYS A 106 11.871 7.458 -5.113 1.00 1.61 H new ATOM 0 HE2 LYS A 106 9.822 7.141 -6.685 1.00 2.08 H new ATOM 0 HE3 LYS A 106 8.891 7.925 -5.424 1.00 2.08 H new ATOM 0 HZ1 LYS A 106 9.518 9.824 -6.346 1.00 2.36 H new ATOM 0 HZ2 LYS A 106 11.081 9.540 -5.745 1.00 2.36 H new ATOM 0 HZ3 LYS A 106 10.681 9.071 -7.327 1.00 2.36 H new ATOM 1230 N VAL A 107 6.661 6.225 -2.196 1.00 0.47 N ATOM 1231 CA VAL A 107 5.237 5.987 -2.039 1.00 0.49 C ATOM 1232 C VAL A 107 4.458 6.836 -3.012 1.00 0.45 C ATOM 1233 O VAL A 107 4.274 8.037 -2.804 1.00 0.74 O ATOM 1234 CB VAL A 107 4.780 6.232 -0.813 1.00 0.60 C ATOM 1235 CG1 VAL A 107 4.796 4.956 0.017 1.00 0.99 C ATOM 1236 CG2 VAL A 107 5.561 7.333 -0.105 1.00 1.11 C ATOM 0 H VAL A 107 6.926 7.210 -2.196 1.00 0.47 H new ATOM 0 HA VAL A 107 5.096 4.924 -2.235 1.00 0.49 H new ATOM 0 HB VAL A 107 3.755 6.587 -0.918 1.00 0.60 H new ATOM 0 HG11 VAL A 107 4.420 5.168 1.018 1.00 0.99 H new ATOM 0 HG12 VAL A 107 4.163 4.206 -0.457 1.00 0.99 H new ATOM 0 HG13 VAL A 107 5.816 4.579 0.085 1.00 0.99 H new ATOM 0 HG21 VAL A 107 5.146 7.491 0.890 1.00 1.11 H new ATOM 0 HG22 VAL A 107 6.607 7.039 -0.019 1.00 1.11 H new ATOM 0 HG23 VAL A 107 5.489 8.257 -0.679 1.00 1.11 H new ATOM 1246 N HIS A 108 3.999 6.221 -4.078 1.00 0.30 N ATOM 1247 CA HIS A 108 3.097 6.897 -4.969 1.00 0.31 C ATOM 1248 C HIS A 108 1.732 6.271 -4.801 1.00 0.28 C ATOM 1249 O HIS A 108 1.464 5.187 -5.303 1.00 0.31 O ATOM 1250 CB HIS A 108 3.578 6.790 -6.422 1.00 0.43 C ATOM 1251 CG HIS A 108 2.778 7.610 -7.389 1.00 0.56 C ATOM 1252 ND1 HIS A 108 2.771 7.378 -8.747 1.00 0.94 N ATOM 1253 CD2 HIS A 108 1.965 8.676 -7.191 1.00 0.71 C ATOM 1254 CE1 HIS A 108 1.991 8.263 -9.340 1.00 1.01 C ATOM 1255 NE2 HIS A 108 1.492 9.061 -8.417 1.00 0.80 N ATOM 0 H HIS A 108 4.234 5.265 -4.344 1.00 0.30 H new ATOM 0 HA HIS A 108 3.055 7.959 -4.729 1.00 0.31 H new ATOM 0 HB2 HIS A 108 4.621 7.102 -6.473 1.00 0.43 H new ATOM 0 HB3 HIS A 108 3.542 5.745 -6.730 1.00 0.43 H new ATOM 0 HD2 HIS A 108 1.733 9.137 -6.242 1.00 0.71 H new ATOM 0 HE1 HIS A 108 1.795 8.323 -10.400 1.00 1.01 H new ATOM 0 HE2 HIS A 108 0.856 9.840 -8.588 1.00 0.80 H new ATOM 1264 N MET A 109 0.876 6.960 -4.091 1.00 0.31 N ATOM 1265 CA MET A 109 -0.449 6.454 -3.822 1.00 0.33 C ATOM 1266 C MET A 109 -1.440 7.255 -4.614 1.00 0.37 C ATOM 1267 O MET A 109 -1.249 8.454 -4.810 1.00 0.55 O ATOM 1268 CB MET A 109 -0.770 6.523 -2.327 1.00 0.43 C ATOM 1269 CG MET A 109 0.190 5.719 -1.465 1.00 0.77 C ATOM 1270 SD MET A 109 -0.420 5.465 0.213 1.00 1.28 S ATOM 1271 CE MET A 109 -1.887 4.492 -0.120 1.00 2.22 C ATOM 0 H MET A 109 1.072 7.876 -3.687 1.00 0.31 H new ATOM 0 HA MET A 109 -0.503 5.406 -4.118 1.00 0.33 H new ATOM 0 HB2 MET A 109 -0.749 7.565 -2.006 1.00 0.43 H new ATOM 0 HB3 MET A 109 -1.785 6.159 -2.164 1.00 0.43 H new ATOM 0 HG2 MET A 109 0.366 4.750 -1.933 1.00 0.77 H new ATOM 0 HG3 MET A 109 1.151 6.233 -1.423 1.00 0.77 H new ATOM 0 HE1 MET A 109 -2.020 3.752 0.669 1.00 2.22 H new ATOM 0 HE2 MET A 109 -2.758 5.147 -0.153 1.00 2.22 H new ATOM 0 HE3 MET A 109 -1.777 3.985 -1.079 1.00 2.22 H new ATOM 1281 N LYS A 110 -2.475 6.611 -5.102 1.00 0.27 N ATOM 1282 CA LYS A 110 -3.444 7.310 -5.903 1.00 0.30 C ATOM 1283 C LYS A 110 -4.815 6.724 -5.702 1.00 0.24 C ATOM 1284 O LYS A 110 -4.990 5.507 -5.687 1.00 0.24 O ATOM 1285 CB LYS A 110 -3.063 7.292 -7.387 1.00 0.43 C ATOM 1286 CG LYS A 110 -2.990 5.903 -8.002 1.00 0.64 C ATOM 1287 CD LYS A 110 -2.812 5.972 -9.510 1.00 0.78 C ATOM 1288 CE LYS A 110 -2.876 4.594 -10.145 1.00 1.38 C ATOM 1289 NZ LYS A 110 -2.830 4.669 -11.628 1.00 1.73 N ATOM 0 H LYS A 110 -2.664 5.619 -4.960 1.00 0.27 H new ATOM 0 HA LYS A 110 -3.457 8.350 -5.577 1.00 0.30 H new ATOM 0 HB2 LYS A 110 -3.790 7.884 -7.943 1.00 0.43 H new ATOM 0 HB3 LYS A 110 -2.096 7.780 -7.507 1.00 0.43 H new ATOM 0 HG2 LYS A 110 -2.160 5.352 -7.561 1.00 0.64 H new ATOM 0 HG3 LYS A 110 -3.900 5.351 -7.767 1.00 0.64 H new ATOM 0 HD2 LYS A 110 -3.587 6.607 -9.940 1.00 0.78 H new ATOM 0 HD3 LYS A 110 -1.854 6.436 -9.743 1.00 0.78 H new ATOM 0 HE2 LYS A 110 -2.044 3.989 -9.785 1.00 1.38 H new ATOM 0 HE3 LYS A 110 -3.793 4.092 -9.834 1.00 1.38 H new ATOM 0 HZ1 LYS A 110 -2.876 3.709 -12.026 1.00 1.73 H new ATOM 0 HZ2 LYS A 110 -3.638 5.226 -11.973 1.00 1.73 H new ATOM 0 HZ3 LYS A 110 -1.944 5.125 -11.925 1.00 1.73 H new ATOM 1303 N LYS A 111 -5.769 7.604 -5.514 1.00 0.23 N ATOM 1304 CA LYS A 111 -7.144 7.233 -5.443 1.00 0.22 C ATOM 1305 C LYS A 111 -7.552 6.471 -6.697 1.00 0.22 C ATOM 1306 O LYS A 111 -7.581 7.020 -7.800 1.00 0.29 O ATOM 1307 CB LYS A 111 -7.917 8.520 -5.285 1.00 0.28 C ATOM 1308 CG LYS A 111 -9.423 8.396 -5.363 1.00 0.35 C ATOM 1309 CD LYS A 111 -10.053 9.764 -5.224 1.00 0.53 C ATOM 1310 CE LYS A 111 -11.556 9.725 -5.410 1.00 0.91 C ATOM 1311 NZ LYS A 111 -12.148 11.085 -5.335 1.00 1.78 N ATOM 0 H LYS A 111 -5.601 8.604 -5.406 1.00 0.23 H new ATOM 0 HA LYS A 111 -7.345 6.565 -4.605 1.00 0.22 H new ATOM 0 HB2 LYS A 111 -7.657 8.963 -4.323 1.00 0.28 H new ATOM 0 HB3 LYS A 111 -7.588 9.217 -6.056 1.00 0.28 H new ATOM 0 HG2 LYS A 111 -9.712 7.946 -6.313 1.00 0.35 H new ATOM 0 HG3 LYS A 111 -9.785 7.736 -4.575 1.00 0.35 H new ATOM 0 HD2 LYS A 111 -9.821 10.170 -4.239 1.00 0.53 H new ATOM 0 HD3 LYS A 111 -9.615 10.440 -5.959 1.00 0.53 H new ATOM 0 HE2 LYS A 111 -11.793 9.276 -6.375 1.00 0.91 H new ATOM 0 HE3 LYS A 111 -12.002 9.090 -4.645 1.00 0.91 H new ATOM 0 HZ1 LYS A 111 -13.184 11.010 -5.279 1.00 1.78 H new ATOM 0 HZ2 LYS A 111 -11.790 11.573 -4.490 1.00 1.78 H new ATOM 0 HZ3 LYS A 111 -11.886 11.625 -6.184 1.00 1.78 H new ATOM 1325 N ALA A 112 -7.827 5.188 -6.503 1.00 0.22 N ATOM 1326 CA ALA A 112 -8.106 4.277 -7.595 1.00 0.26 C ATOM 1327 C ALA A 112 -9.376 4.675 -8.320 1.00 0.38 C ATOM 1328 O ALA A 112 -10.327 5.171 -7.706 1.00 0.45 O ATOM 1329 CB ALA A 112 -8.224 2.852 -7.081 1.00 0.33 C ATOM 0 H ALA A 112 -7.862 4.753 -5.581 1.00 0.22 H new ATOM 0 HA ALA A 112 -7.276 4.331 -8.299 1.00 0.26 H new ATOM 0 HB1 ALA A 112 -8.434 2.181 -7.914 1.00 0.33 H new ATOM 0 HB2 ALA A 112 -7.288 2.558 -6.605 1.00 0.33 H new ATOM 0 HB3 ALA A 112 -9.035 2.793 -6.355 1.00 0.33 H new ATOM 1335 N LEU A 113 -9.397 4.443 -9.621 1.00 0.47 N ATOM 1336 CA LEU A 113 -10.555 4.778 -10.440 1.00 0.64 C ATOM 1337 C LEU A 113 -11.742 3.880 -10.091 1.00 0.76 C ATOM 1338 O LEU A 113 -12.855 4.082 -10.581 1.00 0.96 O ATOM 1339 CB LEU A 113 -10.207 4.636 -11.921 1.00 0.76 C ATOM 1340 CG LEU A 113 -9.003 5.461 -12.387 1.00 1.55 C ATOM 1341 CD1 LEU A 113 -8.675 5.159 -13.840 1.00 2.27 C ATOM 1342 CD2 LEU A 113 -9.267 6.948 -12.195 1.00 2.39 C ATOM 0 H LEU A 113 -8.624 4.023 -10.137 1.00 0.47 H new ATOM 0 HA LEU A 113 -10.834 5.812 -10.237 1.00 0.64 H new ATOM 0 HB2 LEU A 113 -10.012 3.585 -12.133 1.00 0.76 H new ATOM 0 HB3 LEU A 113 -11.076 4.924 -12.512 1.00 0.76 H new ATOM 0 HG LEU A 113 -8.142 5.184 -11.778 1.00 1.55 H new ATOM 0 HD11 LEU A 113 -7.817 5.755 -14.151 1.00 2.27 H new ATOM 0 HD12 LEU A 113 -8.439 4.100 -13.947 1.00 2.27 H new ATOM 0 HD13 LEU A 113 -9.533 5.405 -14.465 1.00 2.27 H new ATOM 0 HD21 LEU A 113 -8.401 7.518 -12.532 1.00 2.39 H new ATOM 0 HD22 LEU A 113 -10.142 7.240 -12.776 1.00 2.39 H new ATOM 0 HD23 LEU A 113 -9.448 7.152 -11.140 1.00 2.39 H new ATOM 1354 N SER A 114 -11.487 2.890 -9.240 1.00 0.73 N ATOM 1355 CA SER A 114 -12.525 1.998 -8.745 1.00 0.92 C ATOM 1356 C SER A 114 -13.464 2.740 -7.795 1.00 0.93 C ATOM 1357 O SER A 114 -14.643 2.406 -7.682 1.00 1.27 O ATOM 1358 CB SER A 114 -11.881 0.814 -8.027 1.00 1.04 C ATOM 1359 OG SER A 114 -10.819 0.272 -8.798 1.00 1.66 O ATOM 0 H SER A 114 -10.556 2.686 -8.876 1.00 0.73 H new ATOM 0 HA SER A 114 -13.110 1.635 -9.590 1.00 0.92 H new ATOM 0 HB2 SER A 114 -11.504 1.134 -7.055 1.00 1.04 H new ATOM 0 HB3 SER A 114 -12.630 0.045 -7.841 1.00 1.04 H new ATOM 0 HG SER A 114 -10.420 -0.484 -8.319 1.00 1.66 H new ATOM 1365 N GLY A 115 -12.930 3.748 -7.113 1.00 0.71 N ATOM 1366 CA GLY A 115 -13.748 4.571 -6.248 1.00 0.79 C ATOM 1367 C GLY A 115 -13.354 4.471 -4.786 1.00 0.78 C ATOM 1368 O GLY A 115 -12.834 5.427 -4.215 1.00 1.52 O ATOM 0 H GLY A 115 -11.944 4.008 -7.145 1.00 0.71 H new ATOM 0 HA2 GLY A 115 -13.674 5.610 -6.568 1.00 0.79 H new ATOM 0 HA3 GLY A 115 -14.792 4.278 -6.358 1.00 0.79 H new ATOM 1372 N ASP A 116 -13.581 3.308 -4.184 1.00 0.72 N ATOM 1373 CA ASP A 116 -13.398 3.138 -2.740 1.00 0.85 C ATOM 1374 C ASP A 116 -12.028 2.581 -2.416 1.00 0.80 C ATOM 1375 O ASP A 116 -11.796 2.042 -1.335 1.00 1.40 O ATOM 1376 CB ASP A 116 -14.472 2.210 -2.158 1.00 1.25 C ATOM 1377 CG ASP A 116 -15.874 2.771 -2.268 1.00 2.10 C ATOM 1378 OD1 ASP A 116 -16.506 3.028 -1.223 1.00 2.63 O ATOM 1379 OD2 ASP A 116 -16.349 2.969 -3.405 1.00 2.79 O ATOM 0 H ASP A 116 -13.892 2.467 -4.670 1.00 0.72 H new ATOM 0 HA ASP A 116 -13.490 4.126 -2.288 1.00 0.85 H new ATOM 0 HB2 ASP A 116 -14.431 1.250 -2.674 1.00 1.25 H new ATOM 0 HB3 ASP A 116 -14.246 2.018 -1.109 1.00 1.25 H new ATOM 1384 N SER A 117 -11.117 2.773 -3.329 1.00 0.42 N ATOM 1385 CA SER A 117 -9.800 2.187 -3.224 1.00 0.29 C ATOM 1386 C SER A 117 -8.712 3.198 -3.552 1.00 0.22 C ATOM 1387 O SER A 117 -8.962 4.204 -4.217 1.00 0.25 O ATOM 1388 CB SER A 117 -9.698 0.962 -4.124 1.00 0.34 C ATOM 1389 OG SER A 117 -10.272 1.202 -5.398 1.00 0.44 O ATOM 0 H SER A 117 -11.261 3.337 -4.166 1.00 0.42 H new ATOM 0 HA SER A 117 -9.648 1.874 -2.191 1.00 0.29 H new ATOM 0 HB2 SER A 117 -8.651 0.683 -4.243 1.00 0.34 H new ATOM 0 HB3 SER A 117 -10.201 0.119 -3.651 1.00 0.34 H new ATOM 0 HG SER A 117 -9.799 0.674 -6.075 1.00 0.44 H new ATOM 1395 N TYR A 118 -7.518 2.934 -3.053 1.00 0.19 N ATOM 1396 CA TYR A 118 -6.366 3.795 -3.275 1.00 0.19 C ATOM 1397 C TYR A 118 -5.123 2.935 -3.479 1.00 0.20 C ATOM 1398 O TYR A 118 -4.896 1.981 -2.738 1.00 0.25 O ATOM 1399 CB TYR A 118 -6.167 4.731 -2.077 1.00 0.22 C ATOM 1400 CG TYR A 118 -7.409 5.479 -1.662 1.00 0.23 C ATOM 1401 CD1 TYR A 118 -8.199 5.024 -0.624 1.00 0.30 C ATOM 1402 CD2 TYR A 118 -7.781 6.643 -2.312 1.00 0.25 C ATOM 1403 CE1 TYR A 118 -9.336 5.710 -0.238 1.00 0.35 C ATOM 1404 CE2 TYR A 118 -8.916 7.339 -1.936 1.00 0.30 C ATOM 1405 CZ TYR A 118 -9.703 6.850 -0.902 1.00 0.34 C ATOM 1406 OH TYR A 118 -10.820 7.551 -0.510 1.00 0.42 O ATOM 0 H TYR A 118 -7.317 2.114 -2.480 1.00 0.19 H new ATOM 0 HA TYR A 118 -6.536 4.401 -4.165 1.00 0.19 H new ATOM 0 HB2 TYR A 118 -5.809 4.147 -1.230 1.00 0.22 H new ATOM 0 HB3 TYR A 118 -5.387 5.452 -2.320 1.00 0.22 H new ATOM 0 HD1 TYR A 118 -7.924 4.117 -0.105 1.00 0.30 H new ATOM 0 HD2 TYR A 118 -7.176 7.014 -3.126 1.00 0.25 H new ATOM 0 HE1 TYR A 118 -9.933 5.347 0.585 1.00 0.35 H new ATOM 0 HE2 TYR A 118 -9.187 8.254 -2.442 1.00 0.30 H new ATOM 0 HH TYR A 118 -10.702 7.865 0.411 1.00 0.42 H new ATOM 1416 N TRP A 119 -4.315 3.261 -4.478 1.00 0.20 N ATOM 1417 CA TRP A 119 -3.165 2.448 -4.799 1.00 0.22 C ATOM 1418 C TRP A 119 -1.995 2.807 -3.915 1.00 0.25 C ATOM 1419 O TRP A 119 -1.974 3.862 -3.290 1.00 0.27 O ATOM 1420 CB TRP A 119 -2.720 2.675 -6.234 1.00 0.25 C ATOM 1421 CG TRP A 119 -3.666 2.232 -7.299 1.00 0.26 C ATOM 1422 CD1 TRP A 119 -4.871 2.781 -7.625 1.00 0.27 C ATOM 1423 CD2 TRP A 119 -3.445 1.167 -8.220 1.00 0.30 C ATOM 1424 NE1 TRP A 119 -5.421 2.102 -8.688 1.00 0.32 N ATOM 1425 CE2 TRP A 119 -4.563 1.104 -9.068 1.00 0.33 C ATOM 1426 CE3 TRP A 119 -2.412 0.250 -8.397 1.00 0.34 C ATOM 1427 CZ2 TRP A 119 -4.670 0.162 -10.086 1.00 0.40 C ATOM 1428 CZ3 TRP A 119 -2.513 -0.680 -9.400 1.00 0.40 C ATOM 1429 CH2 TRP A 119 -3.636 -0.724 -10.237 1.00 0.42 C ATOM 0 H TRP A 119 -4.439 4.080 -5.074 1.00 0.20 H new ATOM 0 HA TRP A 119 -3.462 1.410 -4.650 1.00 0.22 H new ATOM 0 HB2 TRP A 119 -2.529 3.740 -6.368 1.00 0.25 H new ATOM 0 HB3 TRP A 119 -1.771 2.159 -6.383 1.00 0.25 H new ATOM 0 HD1 TRP A 119 -5.326 3.623 -7.124 1.00 0.27 H new ATOM 0 HE1 TRP A 119 -6.321 2.308 -9.122 1.00 0.32 H new ATOM 0 HE3 TRP A 119 -1.544 0.271 -7.754 1.00 0.34 H new ATOM 0 HZ2 TRP A 119 -5.535 0.130 -10.732 1.00 0.40 H new ATOM 0 HZ3 TRP A 119 -1.713 -1.391 -9.547 1.00 0.40 H new ATOM 0 HH2 TRP A 119 -3.687 -1.470 -11.016 1.00 0.42 H new ATOM 1440 N VAL A 120 -1.021 1.928 -3.898 1.00 0.28 N ATOM 1441 CA VAL A 120 0.229 2.178 -3.234 1.00 0.32 C ATOM 1442 C VAL A 120 1.424 1.680 -4.079 1.00 0.34 C ATOM 1443 O VAL A 120 1.783 0.503 -4.090 1.00 0.43 O ATOM 1444 CB VAL A 120 0.187 1.652 -2.018 1.00 0.38 C ATOM 1445 CG1 VAL A 120 0.042 0.134 -2.014 1.00 0.56 C ATOM 1446 CG2 VAL A 120 1.360 2.107 -1.164 1.00 0.62 C ATOM 0 H VAL A 120 -1.077 1.015 -4.348 1.00 0.28 H new ATOM 0 HA VAL A 120 0.383 3.251 -3.124 1.00 0.32 H new ATOM 0 HB VAL A 120 -0.725 2.038 -1.563 1.00 0.38 H new ATOM 0 HG11 VAL A 120 0.015 -0.226 -0.986 1.00 0.56 H new ATOM 0 HG12 VAL A 120 -0.882 -0.145 -2.521 1.00 0.56 H new ATOM 0 HG13 VAL A 120 0.890 -0.314 -2.533 1.00 0.56 H new ATOM 0 HG21 VAL A 120 1.288 1.653 -0.175 1.00 0.62 H new ATOM 0 HG22 VAL A 120 2.294 1.802 -1.636 1.00 0.62 H new ATOM 0 HG23 VAL A 120 1.340 3.193 -1.067 1.00 0.62 H new ATOM 1456 N PHE A 121 2.028 2.603 -4.813 1.00 0.34 N ATOM 1457 CA PHE A 121 3.204 2.292 -5.614 1.00 0.42 C ATOM 1458 C PHE A 121 4.446 2.438 -4.751 1.00 0.40 C ATOM 1459 O PHE A 121 4.888 3.558 -4.478 1.00 0.49 O ATOM 1460 CB PHE A 121 3.323 3.228 -6.822 1.00 0.61 C ATOM 1461 CG PHE A 121 2.274 3.046 -7.889 1.00 0.49 C ATOM 1462 CD1 PHE A 121 0.929 3.169 -7.575 1.00 0.52 C ATOM 1463 CD2 PHE A 121 2.624 2.741 -9.195 1.00 0.98 C ATOM 1464 CE1 PHE A 121 -0.044 2.993 -8.541 1.00 0.96 C ATOM 1465 CE2 PHE A 121 1.656 2.567 -10.165 1.00 1.49 C ATOM 1466 CZ PHE A 121 0.355 2.729 -9.877 1.00 1.45 C ATOM 0 H PHE A 121 1.723 3.575 -4.871 1.00 0.34 H new ATOM 0 HA PHE A 121 3.107 1.270 -5.980 1.00 0.42 H new ATOM 0 HB2 PHE A 121 3.281 4.258 -6.467 1.00 0.61 H new ATOM 0 HB3 PHE A 121 4.305 3.087 -7.274 1.00 0.61 H new ATOM 0 HD1 PHE A 121 0.638 3.405 -6.562 1.00 0.52 H new ATOM 0 HD2 PHE A 121 3.667 2.638 -9.458 1.00 0.98 H new ATOM 0 HE1 PHE A 121 -1.091 3.055 -8.283 1.00 0.96 H new ATOM 0 HE2 PHE A 121 1.950 2.297 -11.169 1.00 1.49 H new ATOM 0 HZ PHE A 121 -0.386 2.659 -10.660 1.00 1.45 H new ATOM 1476 N VAL A 122 4.988 1.320 -4.304 1.00 0.49 N ATOM 1477 CA VAL A 122 6.172 1.343 -3.461 1.00 0.61 C ATOM 1478 C VAL A 122 7.428 1.024 -4.256 1.00 0.73 C ATOM 1479 O VAL A 122 7.370 0.396 -5.316 1.00 0.95 O ATOM 1480 CB VAL A 122 6.080 0.514 -2.430 1.00 0.77 C ATOM 1481 CG1 VAL A 122 4.992 0.975 -1.470 1.00 1.61 C ATOM 1482 CG2 VAL A 122 5.832 -0.922 -2.874 1.00 1.52 C ATOM 0 H VAL A 122 4.630 0.387 -4.509 1.00 0.49 H new ATOM 0 HA VAL A 122 6.241 2.359 -3.072 1.00 0.61 H new ATOM 0 HB VAL A 122 7.038 0.531 -1.910 1.00 0.77 H new ATOM 0 HG11 VAL A 122 4.931 0.283 -0.630 1.00 1.61 H new ATOM 0 HG12 VAL A 122 5.231 1.973 -1.101 1.00 1.61 H new ATOM 0 HG13 VAL A 122 4.034 1.000 -1.990 1.00 1.61 H new ATOM 0 HG21 VAL A 122 5.763 -1.567 -1.998 1.00 1.52 H new ATOM 0 HG22 VAL A 122 4.900 -0.973 -3.436 1.00 1.52 H new ATOM 0 HG23 VAL A 122 6.655 -1.255 -3.506 1.00 1.52 H new ATOM 1492 N LYS A 123 8.555 1.524 -3.779 1.00 0.76 N ATOM 1493 CA LYS A 123 9.831 1.258 -4.409 1.00 0.97 C ATOM 1494 C LYS A 123 10.952 1.497 -3.414 1.00 1.04 C ATOM 1495 O LYS A 123 10.819 2.323 -2.524 1.00 1.02 O ATOM 1496 CB LYS A 123 10.013 2.154 -5.641 1.00 1.11 C ATOM 1497 CG LYS A 123 11.226 1.800 -6.488 1.00 1.66 C ATOM 1498 CD LYS A 123 11.073 0.436 -7.149 1.00 2.03 C ATOM 1499 CE LYS A 123 9.972 0.442 -8.199 1.00 2.74 C ATOM 1500 NZ LYS A 123 9.886 -0.856 -8.919 1.00 3.45 N ATOM 0 H LYS A 123 8.609 2.119 -2.953 1.00 0.76 H new ATOM 0 HA LYS A 123 9.858 0.217 -4.733 1.00 0.97 H new ATOM 0 HB2 LYS A 123 9.118 2.089 -6.260 1.00 1.11 H new ATOM 0 HB3 LYS A 123 10.100 3.190 -5.315 1.00 1.11 H new ATOM 0 HG2 LYS A 123 11.370 2.562 -7.254 1.00 1.66 H new ATOM 0 HG3 LYS A 123 12.119 1.804 -5.864 1.00 1.66 H new ATOM 0 HD2 LYS A 123 12.017 0.148 -7.612 1.00 2.03 H new ATOM 0 HD3 LYS A 123 10.849 -0.313 -6.390 1.00 2.03 H new ATOM 0 HE2 LYS A 123 9.016 0.656 -7.721 1.00 2.74 H new ATOM 0 HE3 LYS A 123 10.157 1.243 -8.915 1.00 2.74 H new ATOM 0 HZ1 LYS A 123 9.124 -0.811 -9.626 1.00 3.45 H new ATOM 0 HZ2 LYS A 123 10.790 -1.049 -9.396 1.00 3.45 H new ATOM 0 HZ3 LYS A 123 9.684 -1.617 -8.240 1.00 3.45 H new