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 -116:sc= 0.07 USER MOD Set 1.2: A 87 ASN : amide:sc= 0.0635 X(o=0.13,f=0.08) USER MOD Single : A 32 GLN : amide:sc= -2.73! K(o=-2.7!,f=-1.1) USER MOD Single : A 38 ASN : amide:sc= -3.26! K(o=-3.3!,f=-0.025) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 1.1 K(o=1.1,f=-0.00018) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 166:sc= -0.0223 (180deg=-0.208) USER MOD Single : A 89 ASN : amide:sc= -0.564 X(o=-0.56,f=-0.22) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.21 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+ 175:sc= 0.983 (180deg=0.929) USER MOD Single : A 106 LYS NZ :NH3+ -169:sc= 1.23 (180deg=1.11) USER MOD Single : A 108 HIS : no HD1:sc= -0.0335 X(o=-0.034,f=0) USER MOD Single : A 109 MET CE :methyl -172:sc= -2.88! (180deg=-3.13!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 173:sc= 0.9 (180deg=0.861) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot -72:sc= 0.33 USER MOD Single : A 118 TYR OH : rot 30:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 29 6.263 -3.298 -7.192 1.00 1.43 N ATOM 51 CA GLY A 29 5.583 -2.947 -5.961 1.00 0.99 C ATOM 52 C GLY A 29 4.368 -2.090 -6.224 1.00 0.78 C ATOM 53 O GLY A 29 4.256 -0.985 -5.706 1.00 1.00 O ATOM 0 HA2 GLY A 29 5.283 -3.855 -5.439 1.00 0.99 H new ATOM 0 HA3 GLY A 29 6.270 -2.414 -5.304 1.00 0.99 H new ATOM 57 N ALA A 30 3.466 -2.594 -7.045 1.00 0.70 N ATOM 58 CA ALA A 30 2.259 -1.862 -7.391 1.00 0.54 C ATOM 59 C ALA A 30 1.034 -2.656 -6.976 1.00 0.49 C ATOM 60 O ALA A 30 0.710 -3.677 -7.585 1.00 0.60 O ATOM 61 CB ALA A 30 2.223 -1.583 -8.883 1.00 0.68 C ATOM 0 H ALA A 30 3.545 -3.510 -7.487 1.00 0.70 H new ATOM 0 HA ALA A 30 2.259 -0.911 -6.859 1.00 0.54 H new ATOM 0 HB1 ALA A 30 1.314 -1.034 -9.129 1.00 0.68 H new ATOM 0 HB2 ALA A 30 3.093 -0.988 -9.163 1.00 0.68 H new ATOM 0 HB3 ALA A 30 2.237 -2.526 -9.430 1.00 0.68 H new ATOM 67 N ILE A 31 0.363 -2.202 -5.937 1.00 0.40 N ATOM 68 CA ILE A 31 -0.797 -2.906 -5.421 1.00 0.39 C ATOM 69 C ILE A 31 -1.965 -1.951 -5.225 1.00 0.35 C ATOM 70 O ILE A 31 -1.777 -0.794 -4.865 1.00 0.36 O ATOM 71 CB ILE A 31 -0.484 -3.579 -4.307 1.00 0.46 C ATOM 72 CG1 ILE A 31 -1.671 -4.280 -3.649 1.00 0.48 C ATOM 73 CG2 ILE A 31 0.264 -2.696 -3.308 1.00 0.52 C ATOM 74 CD1 ILE A 31 -2.390 -3.481 -2.576 1.00 0.90 C ATOM 0 H ILE A 31 0.600 -1.348 -5.432 1.00 0.40 H new ATOM 0 HA ILE A 31 -1.118 -3.645 -6.155 1.00 0.39 H new ATOM 0 HB ILE A 31 0.185 -4.376 -4.630 1.00 0.46 H new ATOM 0 HG12 ILE A 31 -2.390 -4.543 -4.424 1.00 0.48 H new ATOM 0 HG13 ILE A 31 -1.321 -5.214 -3.209 1.00 0.48 H new ATOM 0 HG21 ILE A 31 0.502 -3.276 -2.416 1.00 0.52 H new ATOM 0 HG22 ILE A 31 1.187 -2.334 -3.762 1.00 0.52 H new ATOM 0 HG23 ILE A 31 -0.362 -1.847 -3.033 1.00 0.52 H new ATOM 0 HD11 ILE A 31 -3.215 -4.070 -2.175 1.00 0.90 H new ATOM 0 HD12 ILE A 31 -1.693 -3.240 -1.774 1.00 0.90 H new ATOM 0 HD13 ILE A 31 -2.779 -2.559 -3.008 1.00 0.90 H new ATOM 86 N GLN A 32 -3.152 -2.414 -5.574 1.00 0.38 N ATOM 87 CA GLN A 32 -4.360 -1.636 -5.371 1.00 0.40 C ATOM 88 C GLN A 32 -5.153 -2.186 -4.198 1.00 0.37 C ATOM 89 O GLN A 32 -5.633 -3.325 -4.217 1.00 0.44 O ATOM 90 CB GLN A 32 -5.219 -1.577 -6.640 1.00 0.50 C ATOM 91 CG GLN A 32 -5.591 -2.924 -7.240 1.00 0.55 C ATOM 92 CD GLN A 32 -6.700 -2.810 -8.270 1.00 1.11 C ATOM 93 OE1 GLN A 32 -6.448 -2.635 -9.461 1.00 2.22 O ATOM 94 NE2 GLN A 32 -7.937 -2.893 -7.813 1.00 0.93 N ATOM 0 H GLN A 32 -3.305 -3.328 -6.001 1.00 0.38 H new ATOM 0 HA GLN A 32 -4.063 -0.613 -5.139 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -6.136 -1.034 -6.412 1.00 0.50 H new ATOM 0 HB3 GLN A 32 -4.685 -0.998 -7.393 1.00 0.50 H new ATOM 0 HG2 GLN A 32 -4.711 -3.368 -7.705 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -5.905 -3.599 -6.444 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -8.104 -3.039 -6.817 1.00 0.93 H new ATOM 0 HE22 GLN A 32 -8.725 -2.811 -8.456 1.00 0.93 H new ATOM 103 N LEU A 33 -5.247 -1.377 -3.166 1.00 0.34 N ATOM 104 CA LEU A 33 -6.002 -1.727 -1.970 1.00 0.36 C ATOM 105 C LEU A 33 -7.073 -0.693 -1.737 1.00 0.35 C ATOM 106 O LEU A 33 -7.101 0.329 -2.398 1.00 0.43 O ATOM 107 CB LEU A 33 -5.072 -1.852 -0.754 1.00 0.45 C ATOM 108 CG LEU A 33 -4.138 -0.661 -0.471 1.00 0.46 C ATOM 109 CD1 LEU A 33 -4.873 0.485 0.209 1.00 0.72 C ATOM 110 CD2 LEU A 33 -2.966 -1.108 0.387 1.00 0.71 C ATOM 0 H LEU A 33 -4.805 -0.458 -3.126 1.00 0.34 H new ATOM 0 HA LEU A 33 -6.476 -2.698 -2.114 1.00 0.36 H new ATOM 0 HB2 LEU A 33 -5.688 -2.018 0.130 1.00 0.45 H new ATOM 0 HB3 LEU A 33 -4.457 -2.742 -0.886 1.00 0.45 H new ATOM 0 HG LEU A 33 -3.769 -0.297 -1.430 1.00 0.46 H new ATOM 0 HD11 LEU A 33 -4.179 1.305 0.391 1.00 0.72 H new ATOM 0 HD12 LEU A 33 -5.682 0.831 -0.434 1.00 0.72 H new ATOM 0 HD13 LEU A 33 -5.285 0.141 1.158 1.00 0.72 H new ATOM 0 HD21 LEU A 33 -2.312 -0.258 0.581 1.00 0.71 H new ATOM 0 HD22 LEU A 33 -3.337 -1.503 1.332 1.00 0.71 H new ATOM 0 HD23 LEU A 33 -2.407 -1.884 -0.136 1.00 0.71 H new ATOM 122 N ASP A 34 -7.983 -0.971 -0.849 1.00 0.35 N ATOM 123 CA ASP A 34 -8.974 0.032 -0.485 1.00 0.45 C ATOM 124 C ASP A 34 -8.630 0.674 0.843 1.00 0.53 C ATOM 125 O ASP A 34 -7.898 0.109 1.657 1.00 0.58 O ATOM 126 CB ASP A 34 -10.397 -0.535 -0.457 1.00 0.55 C ATOM 127 CG ASP A 34 -10.553 -1.747 0.430 1.00 0.65 C ATOM 128 OD1 ASP A 34 -10.202 -1.669 1.623 1.00 0.88 O ATOM 129 OD2 ASP A 34 -11.052 -2.777 -0.072 1.00 1.15 O ATOM 0 H ASP A 34 -8.070 -1.864 -0.364 1.00 0.35 H new ATOM 0 HA ASP A 34 -8.949 0.796 -1.262 1.00 0.45 H new ATOM 0 HB2 ASP A 34 -11.081 0.243 -0.117 1.00 0.55 H new ATOM 0 HB3 ASP A 34 -10.693 -0.799 -1.472 1.00 0.55 H new ATOM 134 N GLY A 35 -9.159 1.871 1.049 1.00 0.67 N ATOM 135 CA GLY A 35 -8.937 2.589 2.291 1.00 0.84 C ATOM 136 C GLY A 35 -9.795 2.048 3.411 1.00 0.85 C ATOM 137 O GLY A 35 -9.951 2.678 4.456 1.00 1.20 O ATOM 0 H GLY A 35 -9.743 2.363 0.373 1.00 0.67 H new ATOM 0 HA2 GLY A 35 -7.886 2.516 2.570 1.00 0.84 H new ATOM 0 HA3 GLY A 35 -9.155 3.647 2.144 1.00 0.84 H new ATOM 141 N ASP A 36 -10.359 0.876 3.175 1.00 0.69 N ATOM 142 CA ASP A 36 -11.207 0.208 4.138 1.00 0.83 C ATOM 143 C ASP A 36 -10.418 -0.885 4.849 1.00 0.83 C ATOM 144 O ASP A 36 -10.857 -1.436 5.862 1.00 1.10 O ATOM 145 CB ASP A 36 -12.431 -0.372 3.427 1.00 0.89 C ATOM 146 CG ASP A 36 -13.386 0.705 2.955 1.00 1.24 C ATOM 147 OD1 ASP A 36 -13.440 0.965 1.738 1.00 1.81 O ATOM 148 OD2 ASP A 36 -14.075 1.314 3.803 1.00 1.77 O ATOM 0 H ASP A 36 -10.239 0.361 2.303 1.00 0.69 H new ATOM 0 HA ASP A 36 -11.549 0.923 4.886 1.00 0.83 H new ATOM 0 HB2 ASP A 36 -12.105 -0.965 2.573 1.00 0.89 H new ATOM 0 HB3 ASP A 36 -12.955 -1.048 4.103 1.00 0.89 H new ATOM 153 N GLY A 37 -9.247 -1.196 4.303 1.00 0.67 N ATOM 154 CA GLY A 37 -8.346 -2.133 4.945 1.00 0.81 C ATOM 155 C GLY A 37 -8.243 -3.452 4.210 1.00 0.78 C ATOM 156 O GLY A 37 -7.660 -4.408 4.721 1.00 1.05 O ATOM 0 H GLY A 37 -8.905 -0.813 3.422 1.00 0.67 H new ATOM 0 HA2 GLY A 37 -7.355 -1.685 5.017 1.00 0.81 H new ATOM 0 HA3 GLY A 37 -8.687 -2.317 5.964 1.00 0.81 H new ATOM 160 N ASN A 38 -8.810 -3.517 3.016 1.00 0.61 N ATOM 161 CA ASN A 38 -8.796 -4.748 2.235 1.00 0.73 C ATOM 162 C ASN A 38 -7.868 -4.620 1.033 1.00 0.57 C ATOM 163 O ASN A 38 -7.762 -3.555 0.422 1.00 0.49 O ATOM 164 CB ASN A 38 -10.206 -5.105 1.750 1.00 0.95 C ATOM 165 CG ASN A 38 -11.125 -5.625 2.843 1.00 1.13 C ATOM 166 OD1 ASN A 38 -12.025 -6.420 2.578 1.00 1.57 O ATOM 167 ND2 ASN A 38 -10.923 -5.184 4.074 1.00 1.38 N ATOM 0 H ASN A 38 -9.285 -2.735 2.565 1.00 0.61 H new ATOM 0 HA ASN A 38 -8.430 -5.542 2.885 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -10.658 -4.221 1.300 1.00 0.95 H new ATOM 0 HB3 ASN A 38 -10.129 -5.858 0.966 1.00 0.95 H new ATOM 0 HD21 ASN A 38 -11.522 -5.503 4.835 1.00 1.38 H new ATOM 0 HD22 ASN A 38 -10.168 -4.525 4.262 1.00 1.38 H new ATOM 174 N ILE A 39 -7.187 -5.710 0.703 1.00 0.65 N ATOM 175 CA ILE A 39 -6.322 -5.750 -0.460 1.00 0.57 C ATOM 176 C ILE A 39 -7.103 -6.307 -1.645 1.00 0.59 C ATOM 177 O ILE A 39 -7.686 -7.387 -1.551 1.00 0.77 O ATOM 178 CB ILE A 39 -5.267 -6.522 -0.230 1.00 0.62 C ATOM 179 CG1 ILE A 39 -4.493 -6.066 1.012 1.00 0.72 C ATOM 180 CG2 ILE A 39 -4.345 -6.577 -1.446 1.00 0.61 C ATOM 181 CD1 ILE A 39 -3.935 -4.662 0.919 1.00 1.18 C ATOM 0 H ILE A 39 -7.220 -6.582 1.231 1.00 0.65 H new ATOM 0 HA ILE A 39 -5.977 -4.739 -0.678 1.00 0.57 H new ATOM 0 HB ILE A 39 -5.642 -7.528 -0.040 1.00 0.62 H new ATOM 0 HG12 ILE A 39 -5.152 -6.126 1.878 1.00 0.72 H new ATOM 0 HG13 ILE A 39 -3.671 -6.760 1.188 1.00 0.72 H new ATOM 0 HG21 ILE A 39 -3.491 -7.217 -1.226 1.00 0.61 H new ATOM 0 HG22 ILE A 39 -4.891 -6.981 -2.299 1.00 0.61 H new ATOM 0 HG23 ILE A 39 -3.994 -5.572 -1.683 1.00 0.61 H new ATOM 0 HD11 ILE A 39 -3.403 -4.420 1.839 1.00 1.18 H new ATOM 0 HD12 ILE A 39 -3.248 -4.599 0.075 1.00 1.18 H new ATOM 0 HD13 ILE A 39 -4.752 -3.955 0.776 1.00 1.18 H new ATOM 193 N LEU A 40 -7.115 -5.582 -2.756 1.00 0.51 N ATOM 194 CA LEU A 40 -7.959 -5.954 -3.880 1.00 0.61 C ATOM 195 C LEU A 40 -7.155 -6.691 -4.947 1.00 0.60 C ATOM 196 O LEU A 40 -7.554 -7.763 -5.404 1.00 0.72 O ATOM 197 CB LEU A 40 -8.633 -4.709 -4.463 1.00 0.66 C ATOM 198 CG LEU A 40 -9.797 -4.980 -5.419 1.00 1.07 C ATOM 199 CD1 LEU A 40 -10.846 -5.852 -4.747 1.00 1.56 C ATOM 200 CD2 LEU A 40 -10.418 -3.670 -5.878 1.00 1.54 C ATOM 0 H LEU A 40 -6.555 -4.742 -2.901 1.00 0.51 H new ATOM 0 HA LEU A 40 -8.733 -6.634 -3.524 1.00 0.61 H new ATOM 0 HB2 LEU A 40 -8.997 -4.094 -3.640 1.00 0.66 H new ATOM 0 HB3 LEU A 40 -7.881 -4.123 -4.990 1.00 0.66 H new ATOM 0 HG LEU A 40 -9.412 -5.510 -6.290 1.00 1.07 H new ATOM 0 HD11 LEU A 40 -11.666 -6.035 -5.441 1.00 1.56 H new ATOM 0 HD12 LEU A 40 -10.398 -6.802 -4.457 1.00 1.56 H new ATOM 0 HD13 LEU A 40 -11.227 -5.345 -3.860 1.00 1.56 H new ATOM 0 HD21 LEU A 40 -11.245 -3.878 -6.557 1.00 1.54 H new ATOM 0 HD22 LEU A 40 -10.789 -3.120 -5.013 1.00 1.54 H new ATOM 0 HD23 LEU A 40 -9.666 -3.072 -6.393 1.00 1.54 H new ATOM 212 N GLN A 41 -6.015 -6.128 -5.338 1.00 0.50 N ATOM 213 CA GLN A 41 -5.173 -6.764 -6.350 1.00 0.55 C ATOM 214 C GLN A 41 -3.729 -6.283 -6.251 1.00 0.46 C ATOM 215 O GLN A 41 -3.473 -5.114 -5.978 1.00 0.46 O ATOM 216 CB GLN A 41 -5.715 -6.489 -7.753 1.00 0.67 C ATOM 217 CG GLN A 41 -5.035 -7.311 -8.835 1.00 1.08 C ATOM 218 CD GLN A 41 -5.490 -6.939 -10.232 1.00 1.73 C ATOM 219 OE1 GLN A 41 -4.890 -6.086 -10.886 1.00 2.41 O ATOM 220 NE2 GLN A 41 -6.551 -7.577 -10.698 1.00 2.37 N ATOM 0 H GLN A 41 -5.655 -5.245 -4.976 1.00 0.50 H new ATOM 0 HA GLN A 41 -5.192 -7.838 -6.165 1.00 0.55 H new ATOM 0 HB2 GLN A 41 -6.785 -6.696 -7.768 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.592 -5.430 -7.981 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -3.956 -7.177 -8.762 1.00 1.08 H new ATOM 0 HG3 GLN A 41 -5.237 -8.368 -8.662 1.00 1.08 H new ATOM 0 HE21 GLN A 41 -7.019 -8.277 -10.122 1.00 2.37 H new ATOM 0 HE22 GLN A 41 -6.901 -7.369 -11.633 1.00 2.37 H new ATOM 229 N TYR A 42 -2.797 -7.193 -6.486 1.00 0.57 N ATOM 230 CA TYR A 42 -1.374 -6.885 -6.427 1.00 0.58 C ATOM 231 C TYR A 42 -0.707 -7.267 -7.743 1.00 0.65 C ATOM 232 O TYR A 42 -0.959 -8.348 -8.275 1.00 0.79 O ATOM 233 CB TYR A 42 -0.731 -7.656 -5.265 1.00 0.71 C ATOM 234 CG TYR A 42 0.759 -7.425 -5.081 1.00 0.82 C ATOM 235 CD1 TYR A 42 1.691 -8.288 -5.641 1.00 1.09 C ATOM 236 CD2 TYR A 42 1.232 -6.331 -4.365 1.00 0.82 C ATOM 237 CE1 TYR A 42 3.049 -8.072 -5.496 1.00 1.26 C ATOM 238 CE2 TYR A 42 2.590 -6.110 -4.212 1.00 1.02 C ATOM 239 CZ TYR A 42 3.490 -7.018 -4.713 1.00 1.21 C ATOM 240 OH TYR A 42 4.845 -6.761 -4.638 1.00 1.42 O ATOM 0 H TYR A 42 -3.003 -8.164 -6.722 1.00 0.57 H new ATOM 0 HA TYR A 42 -1.241 -5.816 -6.264 1.00 0.58 H new ATOM 0 HB2 TYR A 42 -1.242 -7.382 -4.342 1.00 0.71 H new ATOM 0 HB3 TYR A 42 -0.901 -8.722 -5.419 1.00 0.71 H new ATOM 0 HD1 TYR A 42 1.348 -9.145 -6.201 1.00 1.09 H new ATOM 0 HD2 TYR A 42 0.528 -5.642 -3.921 1.00 0.82 H new ATOM 0 HE1 TYR A 42 3.759 -8.719 -5.989 1.00 1.26 H new ATOM 0 HE2 TYR A 42 2.941 -5.226 -3.700 1.00 1.02 H new ATOM 0 HH TYR A 42 5.000 -5.991 -4.052 1.00 1.42 H new ATOM 250 N ASN A 43 0.122 -6.379 -8.278 1.00 0.63 N ATOM 251 CA ASN A 43 0.896 -6.695 -9.474 1.00 0.75 C ATOM 252 C ASN A 43 2.104 -7.528 -9.080 1.00 0.92 C ATOM 253 O ASN A 43 3.149 -6.990 -8.707 1.00 1.02 O ATOM 254 CB ASN A 43 1.347 -5.421 -10.200 1.00 0.78 C ATOM 255 CG ASN A 43 0.201 -4.678 -10.865 1.00 0.73 C ATOM 256 OD1 ASN A 43 -0.098 -4.890 -12.041 1.00 1.21 O ATOM 257 ND2 ASN A 43 -0.445 -3.795 -10.118 1.00 0.88 N ATOM 0 H ASN A 43 0.276 -5.441 -7.907 1.00 0.63 H new ATOM 0 HA ASN A 43 0.264 -7.259 -10.159 1.00 0.75 H new ATOM 0 HB2 ASN A 43 1.837 -4.758 -9.487 1.00 0.78 H new ATOM 0 HB3 ASN A 43 2.089 -5.683 -10.954 1.00 0.78 H new ATOM 0 HD21 ASN A 43 -1.220 -3.262 -10.513 1.00 0.88 H new ATOM 0 HD22 ASN A 43 -0.167 -3.648 -9.148 1.00 0.88 H new ATOM 756 N GLY A 77 1.247 8.816 3.899 1.00 3.20 N ATOM 757 CA GLY A 77 1.084 10.251 3.832 1.00 2.71 C ATOM 758 C GLY A 77 -0.143 10.680 4.598 1.00 1.94 C ATOM 759 O GLY A 77 -1.012 11.364 4.059 1.00 2.44 O ATOM 0 HA2 GLY A 77 1.966 10.743 4.242 1.00 2.71 H new ATOM 0 HA3 GLY A 77 0.999 10.565 2.792 1.00 2.71 H new ATOM 763 N LYS A 78 -0.194 10.270 5.867 1.00 1.39 N ATOM 764 CA LYS A 78 -1.390 10.408 6.692 1.00 1.29 C ATOM 765 C LYS A 78 -2.546 9.646 6.053 1.00 1.03 C ATOM 766 O LYS A 78 -3.503 10.240 5.552 1.00 1.02 O ATOM 767 CB LYS A 78 -1.770 11.876 6.923 1.00 2.10 C ATOM 768 CG LYS A 78 -0.713 12.680 7.669 1.00 2.61 C ATOM 769 CD LYS A 78 -1.260 14.028 8.128 1.00 3.18 C ATOM 770 CE LYS A 78 -1.735 14.880 6.960 1.00 3.78 C ATOM 771 NZ LYS A 78 -0.608 15.405 6.146 1.00 4.14 N ATOM 0 H LYS A 78 0.592 9.834 6.348 1.00 1.39 H new ATOM 0 HA LYS A 78 -1.171 9.982 7.671 1.00 1.29 H new ATOM 0 HB2 LYS A 78 -1.957 12.348 5.959 1.00 2.10 H new ATOM 0 HB3 LYS A 78 -2.704 11.915 7.484 1.00 2.10 H new ATOM 0 HG2 LYS A 78 -0.365 12.113 8.533 1.00 2.61 H new ATOM 0 HG3 LYS A 78 0.150 12.837 7.022 1.00 2.61 H new ATOM 0 HD2 LYS A 78 -2.088 13.867 8.819 1.00 3.18 H new ATOM 0 HD3 LYS A 78 -0.486 14.565 8.677 1.00 3.18 H new ATOM 0 HE2 LYS A 78 -2.393 14.287 6.325 1.00 3.78 H new ATOM 0 HE3 LYS A 78 -2.325 15.714 7.339 1.00 3.78 H new ATOM 0 HZ1 LYS A 78 -0.983 15.978 5.363 1.00 4.14 H new ATOM 0 HZ2 LYS A 78 0.007 15.994 6.743 1.00 4.14 H new ATOM 0 HZ3 LYS A 78 -0.058 14.611 5.761 1.00 4.14 H new ATOM 785 N PHE A 79 -2.428 8.320 6.071 1.00 0.95 N ATOM 786 CA PHE A 79 -3.390 7.433 5.422 1.00 0.77 C ATOM 787 C PHE A 79 -4.818 7.716 5.875 1.00 0.70 C ATOM 788 O PHE A 79 -5.745 7.717 5.041 1.00 0.64 O ATOM 789 CB PHE A 79 -3.034 5.967 5.701 1.00 0.88 C ATOM 790 CG PHE A 79 -3.937 4.984 5.008 1.00 0.79 C ATOM 791 CD1 PHE A 79 -4.833 4.206 5.726 1.00 0.86 C ATOM 792 CD2 PHE A 79 -3.890 4.842 3.634 1.00 0.78 C ATOM 793 CE1 PHE A 79 -5.665 3.307 5.081 1.00 0.85 C ATOM 794 CE2 PHE A 79 -4.718 3.948 2.984 1.00 0.84 C ATOM 795 CZ PHE A 79 -5.605 3.180 3.704 1.00 0.82 C ATOM 0 H PHE A 79 -1.663 7.831 6.536 1.00 0.95 H new ATOM 0 HA PHE A 79 -3.337 7.622 4.350 1.00 0.77 H new ATOM 0 HB2 PHE A 79 -2.006 5.786 5.388 1.00 0.88 H new ATOM 0 HB3 PHE A 79 -3.076 5.790 6.776 1.00 0.88 H new ATOM 0 HD1 PHE A 79 -4.882 4.303 6.801 1.00 0.86 H new ATOM 0 HD2 PHE A 79 -3.196 5.439 3.061 1.00 0.78 H new ATOM 0 HE1 PHE A 79 -6.359 2.707 5.651 1.00 0.85 H new ATOM 0 HE2 PHE A 79 -4.670 3.851 1.909 1.00 0.84 H new ATOM 0 HZ PHE A 79 -6.252 2.480 3.196 1.00 0.82 H new ATOM 805 N LYS A 80 -4.991 7.981 7.185 1.00 0.82 N ATOM 806 CA LYS A 80 -6.324 8.198 7.738 1.00 0.89 C ATOM 807 C LYS A 80 -6.975 9.424 7.107 1.00 0.81 C ATOM 808 O LYS A 80 -8.191 9.473 6.932 1.00 0.87 O ATOM 809 CB LYS A 80 -6.266 8.358 9.258 1.00 1.12 C ATOM 810 CG LYS A 80 -7.637 8.411 9.915 1.00 1.66 C ATOM 811 CD LYS A 80 -7.537 8.524 11.426 1.00 2.17 C ATOM 812 CE LYS A 80 -8.911 8.523 12.075 1.00 2.87 C ATOM 813 NZ LYS A 80 -9.643 7.248 11.834 1.00 3.48 N ATOM 0 H LYS A 80 -4.232 8.047 7.863 1.00 0.82 H new ATOM 0 HA LYS A 80 -6.929 7.321 7.506 1.00 0.89 H new ATOM 0 HB2 LYS A 80 -5.701 7.528 9.682 1.00 1.12 H new ATOM 0 HB3 LYS A 80 -5.721 9.271 9.499 1.00 1.12 H new ATOM 0 HG2 LYS A 80 -8.194 9.262 9.523 1.00 1.66 H new ATOM 0 HG3 LYS A 80 -8.199 7.514 9.654 1.00 1.66 H new ATOM 0 HD2 LYS A 80 -6.948 7.694 11.816 1.00 2.17 H new ATOM 0 HD3 LYS A 80 -7.009 9.441 11.690 1.00 2.17 H new ATOM 0 HE2 LYS A 80 -8.805 8.682 13.148 1.00 2.87 H new ATOM 0 HE3 LYS A 80 -9.496 9.356 11.685 1.00 2.87 H new ATOM 0 HZ1 LYS A 80 -10.459 7.189 12.477 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -9.975 7.219 10.849 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -9.007 6.444 12.008 1.00 3.48 H new ATOM 827 N GLU A 81 -6.153 10.393 6.729 1.00 0.78 N ATOM 828 CA GLU A 81 -6.651 11.613 6.120 1.00 0.78 C ATOM 829 C GLU A 81 -6.942 11.353 4.657 1.00 0.62 C ATOM 830 O GLU A 81 -7.905 11.867 4.105 1.00 0.64 O ATOM 831 CB GLU A 81 -5.630 12.745 6.269 1.00 0.96 C ATOM 832 CG GLU A 81 -6.130 14.089 5.772 1.00 1.53 C ATOM 833 CD GLU A 81 -7.361 14.556 6.517 1.00 2.31 C ATOM 834 OE1 GLU A 81 -8.434 14.687 5.892 1.00 3.07 O ATOM 835 OE2 GLU A 81 -7.266 14.784 7.740 1.00 2.63 O ATOM 0 H GLU A 81 -5.139 10.356 6.834 1.00 0.78 H new ATOM 0 HA GLU A 81 -7.568 11.919 6.624 1.00 0.78 H new ATOM 0 HB2 GLU A 81 -5.353 12.836 7.319 1.00 0.96 H new ATOM 0 HB3 GLU A 81 -4.725 12.480 5.723 1.00 0.96 H new ATOM 0 HG2 GLU A 81 -5.339 14.831 5.881 1.00 1.53 H new ATOM 0 HG3 GLU A 81 -6.357 14.019 4.708 1.00 1.53 H new ATOM 842 N GLY A 82 -6.117 10.512 4.052 1.00 0.55 N ATOM 843 CA GLY A 82 -6.284 10.159 2.675 1.00 0.47 C ATOM 844 C GLY A 82 -7.603 9.461 2.433 1.00 0.46 C ATOM 845 O GLY A 82 -8.308 9.737 1.458 1.00 0.49 O ATOM 0 H GLY A 82 -5.322 10.065 4.509 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -6.229 11.057 2.060 1.00 0.47 H new ATOM 0 HA3 GLY A 82 -5.466 9.509 2.364 1.00 0.47 H new ATOM 849 N VAL A 83 -7.927 8.557 3.344 1.00 0.51 N ATOM 850 CA VAL A 83 -9.169 7.801 3.283 1.00 0.61 C ATOM 851 C VAL A 83 -10.366 8.719 3.470 1.00 0.70 C ATOM 852 O VAL A 83 -11.273 8.744 2.641 1.00 0.79 O ATOM 853 CB VAL A 83 -9.193 6.867 4.220 1.00 0.70 C ATOM 854 CG1 VAL A 83 -10.518 6.105 4.207 1.00 0.85 C ATOM 855 CG2 VAL A 83 -8.033 5.905 4.056 1.00 0.69 C ATOM 0 H VAL A 83 -7.339 8.327 4.145 1.00 0.51 H new ATOM 0 HA VAL A 83 -9.223 7.331 2.301 1.00 0.61 H new ATOM 0 HB VAL A 83 -9.095 7.366 5.184 1.00 0.70 H new ATOM 0 HG11 VAL A 83 -10.508 5.344 4.988 1.00 0.85 H new ATOM 0 HG12 VAL A 83 -11.339 6.799 4.387 1.00 0.85 H new ATOM 0 HG13 VAL A 83 -10.653 5.627 3.237 1.00 0.85 H new ATOM 0 HG21 VAL A 83 -8.075 5.147 4.838 1.00 0.69 H new ATOM 0 HG22 VAL A 83 -8.095 5.423 3.080 1.00 0.69 H new ATOM 0 HG23 VAL A 83 -7.093 6.452 4.131 1.00 0.69 H new ATOM 865 N ALA A 84 -10.327 9.517 4.527 1.00 0.76 N ATOM 866 CA ALA A 84 -11.470 10.328 4.911 1.00 0.94 C ATOM 867 C ALA A 84 -11.605 11.533 4.004 1.00 0.88 C ATOM 868 O ALA A 84 -12.674 12.133 3.902 1.00 1.07 O ATOM 869 CB ALA A 84 -11.356 10.754 6.365 1.00 1.12 C ATOM 0 H ALA A 84 -9.514 9.619 5.134 1.00 0.76 H new ATOM 0 HA ALA A 84 -12.371 9.724 4.802 1.00 0.94 H new ATOM 0 HB1 ALA A 84 -12.220 11.361 6.635 1.00 1.12 H new ATOM 0 HB2 ALA A 84 -11.320 9.870 7.001 1.00 1.12 H new ATOM 0 HB3 ALA A 84 -10.446 11.338 6.503 1.00 1.12 H new ATOM 875 N SER A 85 -10.510 11.899 3.365 1.00 0.76 N ATOM 876 CA SER A 85 -10.551 12.916 2.326 1.00 0.84 C ATOM 877 C SER A 85 -11.360 12.399 1.142 1.00 0.94 C ATOM 878 O SER A 85 -12.091 13.150 0.497 1.00 1.22 O ATOM 879 CB SER A 85 -9.137 13.297 1.875 1.00 1.19 C ATOM 880 OG SER A 85 -9.162 14.376 0.956 1.00 1.88 O ATOM 0 H SER A 85 -9.584 11.511 3.544 1.00 0.76 H new ATOM 0 HA SER A 85 -11.027 13.810 2.730 1.00 0.84 H new ATOM 0 HB2 SER A 85 -8.537 13.570 2.743 1.00 1.19 H new ATOM 0 HB3 SER A 85 -8.656 12.435 1.414 1.00 1.19 H new ATOM 0 HG SER A 85 -8.817 14.076 0.089 1.00 1.88 H new ATOM 886 N GLY A 86 -11.240 11.106 0.883 1.00 0.96 N ATOM 887 CA GLY A 86 -11.945 10.502 -0.225 1.00 1.46 C ATOM 888 C GLY A 86 -11.152 10.609 -1.504 1.00 1.21 C ATOM 889 O GLY A 86 -11.683 10.410 -2.593 1.00 1.66 O ATOM 0 H GLY A 86 -10.663 10.462 1.424 1.00 0.96 H new ATOM 0 HA2 GLY A 86 -12.143 9.453 -0.004 1.00 1.46 H new ATOM 0 HA3 GLY A 86 -12.912 10.989 -0.352 1.00 1.46 H new ATOM 893 N ASN A 87 -9.870 10.923 -1.363 1.00 0.66 N ATOM 894 CA ASN A 87 -8.989 11.110 -2.511 1.00 0.67 C ATOM 895 C ASN A 87 -7.531 11.120 -2.078 1.00 0.52 C ATOM 896 O ASN A 87 -6.827 12.120 -2.198 1.00 0.72 O ATOM 897 CB ASN A 87 -9.331 12.385 -3.311 1.00 0.95 C ATOM 898 CG ASN A 87 -9.535 13.620 -2.446 1.00 1.40 C ATOM 899 OD1 ASN A 87 -8.595 14.354 -2.140 1.00 2.08 O ATOM 900 ND2 ASN A 87 -10.778 13.869 -2.074 1.00 1.72 N ATOM 0 H ASN A 87 -9.415 11.054 -0.460 1.00 0.66 H new ATOM 0 HA ASN A 87 -9.149 10.262 -3.177 1.00 0.67 H new ATOM 0 HB2 ASN A 87 -8.530 12.581 -4.023 1.00 0.95 H new ATOM 0 HB3 ASN A 87 -10.236 12.206 -3.891 1.00 0.95 H new ATOM 0 HD21 ASN A 87 -10.987 14.695 -1.512 1.00 1.72 H new ATOM 0 HD22 ASN A 87 -11.529 13.236 -2.348 1.00 1.72 H new ATOM 907 N LEU A 88 -7.105 10.000 -1.522 1.00 0.40 N ATOM 908 CA LEU A 88 -5.710 9.784 -1.203 1.00 0.32 C ATOM 909 C LEU A 88 -4.888 9.646 -2.470 1.00 0.30 C ATOM 910 O LEU A 88 -4.853 8.577 -3.063 1.00 0.34 O ATOM 911 CB LEU A 88 -5.562 8.513 -0.387 1.00 0.37 C ATOM 912 CG LEU A 88 -4.493 8.588 0.669 1.00 0.42 C ATOM 913 CD1 LEU A 88 -4.531 7.359 1.555 1.00 0.56 C ATOM 914 CD2 LEU A 88 -3.108 8.766 0.064 1.00 0.48 C ATOM 0 H LEU A 88 -7.715 9.219 -1.281 1.00 0.40 H new ATOM 0 HA LEU A 88 -5.353 10.642 -0.633 1.00 0.32 H new ATOM 0 HB2 LEU A 88 -6.515 8.286 0.090 1.00 0.37 H new ATOM 0 HB3 LEU A 88 -5.337 7.685 -1.060 1.00 0.37 H new ATOM 0 HG LEU A 88 -4.699 9.468 1.278 1.00 0.42 H new ATOM 0 HD11 LEU A 88 -3.750 7.432 2.312 1.00 0.56 H new ATOM 0 HD12 LEU A 88 -5.504 7.291 2.042 1.00 0.56 H new ATOM 0 HD13 LEU A 88 -4.366 6.468 0.949 1.00 0.56 H new ATOM 0 HD21 LEU A 88 -2.366 8.815 0.861 1.00 0.48 H new ATOM 0 HD22 LEU A 88 -2.884 7.921 -0.588 1.00 0.48 H new ATOM 0 HD23 LEU A 88 -3.080 9.689 -0.515 1.00 0.48 H new ATOM 926 N ASN A 89 -4.241 10.712 -2.895 1.00 0.32 N ATOM 927 CA ASN A 89 -3.404 10.636 -4.076 1.00 0.34 C ATOM 928 C ASN A 89 -2.154 11.504 -3.915 1.00 0.40 C ATOM 929 O ASN A 89 -2.209 12.726 -4.036 1.00 0.50 O ATOM 930 CB ASN A 89 -4.222 11.001 -5.336 1.00 0.41 C ATOM 931 CG ASN A 89 -4.774 12.421 -5.335 1.00 1.12 C ATOM 932 OD1 ASN A 89 -5.842 12.679 -4.785 1.00 2.01 O ATOM 933 ND2 ASN A 89 -4.079 13.339 -5.986 1.00 1.62 N ATOM 0 H ASN A 89 -4.277 11.628 -2.449 1.00 0.32 H new ATOM 0 HA ASN A 89 -3.057 9.610 -4.202 1.00 0.34 H new ATOM 0 HB2 ASN A 89 -3.591 10.869 -6.215 1.00 0.41 H new ATOM 0 HB3 ASN A 89 -5.052 10.301 -5.432 1.00 0.41 H new ATOM 0 HD21 ASN A 89 -4.426 14.296 -6.043 1.00 1.62 H new ATOM 0 HD22 ASN A 89 -3.196 13.090 -6.431 1.00 1.62 H new ATOM 940 N THR A 90 -1.023 10.872 -3.603 1.00 0.39 N ATOM 941 CA THR A 90 0.223 11.595 -3.455 1.00 0.50 C ATOM 942 C THR A 90 1.410 10.676 -3.713 1.00 0.55 C ATOM 943 O THR A 90 1.267 9.453 -3.755 1.00 0.69 O ATOM 944 CB THR A 90 0.313 12.151 -2.249 1.00 0.68 C ATOM 945 OG1 THR A 90 1.400 13.089 -2.204 1.00 1.67 O ATOM 946 CG2 THR A 90 0.477 11.112 -1.143 1.00 1.22 C ATOM 0 H THR A 90 -0.952 9.866 -3.450 1.00 0.39 H new ATOM 0 HA THR A 90 0.239 12.395 -4.196 1.00 0.50 H new ATOM 0 HB THR A 90 -0.626 12.676 -2.072 1.00 0.68 H new ATOM 0 HG1 THR A 90 1.450 13.489 -1.311 1.00 1.67 H new ATOM 0 HG21 THR A 90 0.546 11.615 -0.179 1.00 1.22 H new ATOM 0 HG22 THR A 90 -0.383 10.442 -1.142 1.00 1.22 H new ATOM 0 HG23 THR A 90 1.385 10.535 -1.317 1.00 1.22 H new ATOM 954 N MET A 91 2.555 11.278 -3.961 1.00 0.72 N ATOM 955 CA MET A 91 3.793 10.542 -4.129 1.00 1.00 C ATOM 956 C MET A 91 4.878 11.147 -3.250 1.00 0.88 C ATOM 957 O MET A 91 5.270 12.301 -3.422 1.00 0.92 O ATOM 958 CB MET A 91 4.239 10.506 -5.602 1.00 1.53 C ATOM 959 CG MET A 91 4.457 11.875 -6.240 1.00 2.33 C ATOM 960 SD MET A 91 2.922 12.786 -6.500 1.00 3.24 S ATOM 961 CE MET A 91 3.558 14.343 -7.113 1.00 3.94 C ATOM 0 H MET A 91 2.655 12.289 -4.052 1.00 0.72 H new ATOM 0 HA MET A 91 3.619 9.511 -3.821 1.00 1.00 H new ATOM 0 HB2 MET A 91 5.166 9.937 -5.672 1.00 1.53 H new ATOM 0 HB3 MET A 91 3.489 9.967 -6.181 1.00 1.53 H new ATOM 0 HG2 MET A 91 5.119 12.464 -5.605 1.00 2.33 H new ATOM 0 HG3 MET A 91 4.963 11.747 -7.197 1.00 2.33 H new ATOM 0 HE1 MET A 91 2.728 15.018 -7.322 1.00 3.94 H new ATOM 0 HE2 MET A 91 4.210 14.790 -6.363 1.00 3.94 H new ATOM 0 HE3 MET A 91 4.124 14.170 -8.028 1.00 3.94 H new ATOM 971 N PHE A 92 5.345 10.369 -2.299 1.00 0.98 N ATOM 972 CA PHE A 92 6.373 10.818 -1.381 1.00 1.01 C ATOM 973 C PHE A 92 7.518 9.818 -1.392 1.00 0.90 C ATOM 974 O PHE A 92 7.290 8.616 -1.362 1.00 0.85 O ATOM 975 CB PHE A 92 5.781 10.947 0.030 1.00 1.24 C ATOM 976 CG PHE A 92 6.705 11.562 1.047 1.00 1.49 C ATOM 977 CD1 PHE A 92 6.716 12.932 1.254 1.00 1.94 C ATOM 978 CD2 PHE A 92 7.554 10.768 1.805 1.00 1.58 C ATOM 979 CE1 PHE A 92 7.555 13.500 2.194 1.00 2.47 C ATOM 980 CE2 PHE A 92 8.395 11.331 2.746 1.00 2.01 C ATOM 981 CZ PHE A 92 8.396 12.698 2.940 1.00 2.46 C ATOM 0 H PHE A 92 5.027 9.413 -2.139 1.00 0.98 H new ATOM 0 HA PHE A 92 6.750 11.793 -1.688 1.00 1.01 H new ATOM 0 HB2 PHE A 92 4.873 11.547 -0.025 1.00 1.24 H new ATOM 0 HB3 PHE A 92 5.488 9.957 0.378 1.00 1.24 H new ATOM 0 HD1 PHE A 92 6.061 13.564 0.673 1.00 1.94 H new ATOM 0 HD2 PHE A 92 7.558 9.698 1.658 1.00 1.58 H new ATOM 0 HE1 PHE A 92 7.553 14.569 2.345 1.00 2.47 H new ATOM 0 HE2 PHE A 92 9.051 10.702 3.329 1.00 2.01 H new ATOM 0 HZ PHE A 92 9.054 13.139 3.674 1.00 2.46 H new ATOM 991 N GLU A 93 8.741 10.293 -1.470 1.00 0.98 N ATOM 992 CA GLU A 93 9.872 9.389 -1.415 1.00 0.97 C ATOM 993 C GLU A 93 10.568 9.495 -0.070 1.00 1.21 C ATOM 994 O GLU A 93 11.091 10.556 0.302 1.00 1.50 O ATOM 995 CB GLU A 93 10.837 9.614 -2.580 1.00 1.18 C ATOM 996 CG GLU A 93 11.190 11.063 -2.842 1.00 1.33 C ATOM 997 CD GLU A 93 12.002 11.211 -4.102 1.00 1.57 C ATOM 998 OE1 GLU A 93 13.243 11.284 -4.000 1.00 1.97 O ATOM 999 OE2 GLU A 93 11.406 11.294 -5.197 1.00 1.92 O ATOM 0 H GLU A 93 8.978 11.280 -1.570 1.00 0.98 H new ATOM 0 HA GLU A 93 9.498 8.371 -1.519 1.00 0.97 H new ATOM 0 HB2 GLU A 93 11.756 9.061 -2.384 1.00 1.18 H new ATOM 0 HB3 GLU A 93 10.397 9.193 -3.484 1.00 1.18 H new ATOM 0 HG2 GLU A 93 10.277 11.652 -2.924 1.00 1.33 H new ATOM 0 HG3 GLU A 93 11.751 11.461 -1.997 1.00 1.33 H new ATOM 1006 N TYR A 94 10.554 8.384 0.651 1.00 1.23 N ATOM 1007 CA TYR A 94 11.047 8.334 2.010 1.00 1.60 C ATOM 1008 C TYR A 94 12.345 7.545 2.060 1.00 1.67 C ATOM 1009 O TYR A 94 12.432 6.428 1.546 1.00 1.62 O ATOM 1010 CB TYR A 94 9.992 7.685 2.911 1.00 1.88 C ATOM 1011 CG TYR A 94 10.298 7.750 4.392 1.00 2.23 C ATOM 1012 CD1 TYR A 94 11.095 6.791 5.003 1.00 2.63 C ATOM 1013 CD2 TYR A 94 9.770 8.765 5.182 1.00 2.62 C ATOM 1014 CE1 TYR A 94 11.357 6.839 6.358 1.00 3.18 C ATOM 1015 CE2 TYR A 94 10.032 8.821 6.537 1.00 3.33 C ATOM 1016 CZ TYR A 94 10.826 7.858 7.118 1.00 3.51 C ATOM 1017 OH TYR A 94 11.071 7.903 8.470 1.00 4.29 O ATOM 0 H TYR A 94 10.199 7.493 0.305 1.00 1.23 H new ATOM 0 HA TYR A 94 11.243 9.346 2.365 1.00 1.60 H new ATOM 0 HB2 TYR A 94 9.032 8.169 2.731 1.00 1.88 H new ATOM 0 HB3 TYR A 94 9.881 6.640 2.622 1.00 1.88 H new ATOM 0 HD1 TYR A 94 11.517 5.994 4.409 1.00 2.63 H new ATOM 0 HD2 TYR A 94 9.146 9.521 4.729 1.00 2.62 H new ATOM 0 HE1 TYR A 94 11.974 6.082 6.819 1.00 3.18 H new ATOM 0 HE2 TYR A 94 9.616 9.616 7.138 1.00 3.33 H new ATOM 0 HH TYR A 94 10.625 8.685 8.857 1.00 4.29 H new ATOM 1170 N LYS A 104 15.589 3.906 0.255 1.00 1.52 N ATOM 1171 CA LYS A 104 14.934 5.079 -0.298 1.00 1.37 C ATOM 1172 C LYS A 104 13.863 4.655 -1.293 1.00 1.18 C ATOM 1173 O LYS A 104 14.178 4.260 -2.420 1.00 1.26 O ATOM 1174 CB LYS A 104 15.961 5.976 -0.990 1.00 1.53 C ATOM 1175 CG LYS A 104 15.361 7.226 -1.609 1.00 1.64 C ATOM 1176 CD LYS A 104 16.397 7.990 -2.417 1.00 2.24 C ATOM 1177 CE LYS A 104 15.816 9.262 -3.009 1.00 2.60 C ATOM 1178 NZ LYS A 104 14.728 8.982 -3.981 1.00 3.12 N ATOM 0 HA LYS A 104 14.466 5.637 0.513 1.00 1.37 H new ATOM 0 HB2 LYS A 104 16.721 6.269 -0.266 1.00 1.53 H new ATOM 0 HB3 LYS A 104 16.466 5.403 -1.768 1.00 1.53 H new ATOM 0 HG2 LYS A 104 14.525 6.951 -2.252 1.00 1.64 H new ATOM 0 HG3 LYS A 104 14.962 7.868 -0.824 1.00 1.64 H new ATOM 0 HD2 LYS A 104 17.245 8.239 -1.780 1.00 2.24 H new ATOM 0 HD3 LYS A 104 16.776 7.355 -3.218 1.00 2.24 H new ATOM 0 HE2 LYS A 104 15.431 9.891 -2.207 1.00 2.60 H new ATOM 0 HE3 LYS A 104 16.607 9.825 -3.504 1.00 2.60 H new ATOM 0 HZ1 LYS A 104 14.304 9.878 -4.296 1.00 3.12 H new ATOM 0 HZ2 LYS A 104 15.118 8.476 -4.802 1.00 3.12 H new ATOM 0 HZ3 LYS A 104 13.999 8.395 -3.527 1.00 3.12 H new ATOM 1192 N VAL A 105 12.604 4.720 -0.869 1.00 1.04 N ATOM 1193 CA VAL A 105 11.495 4.299 -1.705 1.00 0.90 C ATOM 1194 C VAL A 105 10.505 5.426 -1.938 1.00 0.72 C ATOM 1195 O VAL A 105 10.519 6.437 -1.242 1.00 0.75 O ATOM 1196 CB VAL A 105 10.842 3.259 -1.201 1.00 1.00 C ATOM 1197 CG1 VAL A 105 11.714 2.009 -1.217 1.00 1.23 C ATOM 1198 CG2 VAL A 105 10.333 3.540 0.208 1.00 1.11 C ATOM 0 H VAL A 105 12.331 5.062 0.052 1.00 1.04 H new ATOM 0 HA VAL A 105 11.944 4.005 -2.654 1.00 0.90 H new ATOM 0 HB VAL A 105 9.974 3.083 -1.836 1.00 1.00 H new ATOM 0 HG11 VAL A 105 11.156 1.171 -0.799 1.00 1.23 H new ATOM 0 HG12 VAL A 105 12.001 1.778 -2.243 1.00 1.23 H new ATOM 0 HG13 VAL A 105 12.610 2.182 -0.620 1.00 1.23 H new ATOM 0 HG21 VAL A 105 9.804 2.665 0.585 1.00 1.11 H new ATOM 0 HG22 VAL A 105 11.176 3.764 0.861 1.00 1.11 H new ATOM 0 HG23 VAL A 105 9.654 4.393 0.186 1.00 1.11 H new ATOM 1208 N LYS A 106 9.687 5.261 -2.956 1.00 0.64 N ATOM 1209 CA LYS A 106 8.605 6.188 -3.230 1.00 0.59 C ATOM 1210 C LYS A 106 7.274 5.531 -2.902 1.00 0.53 C ATOM 1211 O LYS A 106 7.079 4.356 -3.198 1.00 0.68 O ATOM 1212 CB LYS A 106 8.569 6.618 -4.703 1.00 0.79 C ATOM 1213 CG LYS A 106 9.848 7.239 -5.244 1.00 1.39 C ATOM 1214 CD LYS A 106 9.566 7.955 -6.560 1.00 1.61 C ATOM 1215 CE LYS A 106 10.830 8.242 -7.359 1.00 2.08 C ATOM 1216 NZ LYS A 106 11.852 8.973 -6.568 1.00 2.36 N ATOM 0 H LYS A 106 9.751 4.485 -3.615 1.00 0.64 H new ATOM 0 HA LYS A 106 8.776 7.069 -2.612 1.00 0.59 H new ATOM 0 HB2 LYS A 106 8.326 5.746 -5.310 1.00 0.79 H new ATOM 0 HB3 LYS A 106 7.757 7.333 -4.833 1.00 0.79 H new ATOM 0 HG2 LYS A 106 10.255 7.943 -4.518 1.00 1.39 H new ATOM 0 HG3 LYS A 106 10.601 6.466 -5.396 1.00 1.39 H new ATOM 0 HD2 LYS A 106 8.892 7.346 -7.162 1.00 1.61 H new ATOM 0 HD3 LYS A 106 9.051 8.893 -6.355 1.00 1.61 H new ATOM 0 HE2 LYS A 106 11.253 7.302 -7.712 1.00 2.08 H new ATOM 0 HE3 LYS A 106 10.572 8.827 -8.242 1.00 2.08 H new ATOM 0 HZ1 LYS A 106 12.608 9.306 -7.200 1.00 2.36 H new ATOM 0 HZ2 LYS A 106 11.409 9.788 -6.098 1.00 2.36 H new ATOM 0 HZ3 LYS A 106 12.256 8.337 -5.851 1.00 2.36 H new ATOM 1230 N VAL A 107 6.377 6.278 -2.283 1.00 0.47 N ATOM 1231 CA VAL A 107 4.994 5.847 -2.164 1.00 0.49 C ATOM 1232 C VAL A 107 4.122 6.675 -3.070 1.00 0.45 C ATOM 1233 O VAL A 107 3.802 7.822 -2.759 1.00 0.74 O ATOM 1234 CB VAL A 107 4.492 5.933 -0.933 1.00 0.60 C ATOM 1235 CG1 VAL A 107 4.645 4.606 -0.207 1.00 0.99 C ATOM 1236 CG2 VAL A 107 5.115 7.055 -0.114 1.00 1.11 C ATOM 0 H VAL A 107 6.579 7.182 -1.856 1.00 0.47 H new ATOM 0 HA VAL A 107 4.999 4.793 -2.442 1.00 0.49 H new ATOM 0 HB VAL A 107 3.434 6.172 -1.042 1.00 0.60 H new ATOM 0 HG11 VAL A 107 4.231 4.691 0.798 1.00 0.99 H new ATOM 0 HG12 VAL A 107 4.113 3.828 -0.755 1.00 0.99 H new ATOM 0 HG13 VAL A 107 5.702 4.346 -0.143 1.00 0.99 H new ATOM 0 HG21 VAL A 107 4.665 7.074 0.879 1.00 1.11 H new ATOM 0 HG22 VAL A 107 6.188 6.886 -0.023 1.00 1.11 H new ATOM 0 HG23 VAL A 107 4.939 8.009 -0.611 1.00 1.11 H new ATOM 1246 N HIS A 108 3.737 6.114 -4.196 1.00 0.30 N ATOM 1247 CA HIS A 108 2.718 6.748 -4.983 1.00 0.31 C ATOM 1248 C HIS A 108 1.409 6.090 -4.616 1.00 0.28 C ATOM 1249 O HIS A 108 1.096 4.988 -5.063 1.00 0.31 O ATOM 1250 CB HIS A 108 2.996 6.623 -6.486 1.00 0.43 C ATOM 1251 CG HIS A 108 2.208 7.590 -7.326 1.00 0.56 C ATOM 1252 ND1 HIS A 108 2.459 7.803 -8.664 1.00 0.94 N ATOM 1253 CD2 HIS A 108 1.176 8.409 -7.006 1.00 0.71 C ATOM 1254 CE1 HIS A 108 1.623 8.715 -9.130 1.00 1.01 C ATOM 1255 NE2 HIS A 108 0.834 9.095 -8.145 1.00 0.80 N ATOM 0 H HIS A 108 4.107 5.242 -4.575 1.00 0.30 H new ATOM 0 HA HIS A 108 2.691 7.817 -4.773 1.00 0.31 H new ATOM 0 HB2 HIS A 108 4.059 6.782 -6.665 1.00 0.43 H new ATOM 0 HB3 HIS A 108 2.767 5.606 -6.806 1.00 0.43 H new ATOM 0 HD2 HIS A 108 0.710 8.504 -6.036 1.00 0.71 H new ATOM 0 HE1 HIS A 108 1.592 9.085 -10.144 1.00 1.01 H new ATOM 0 HE2 HIS A 108 0.089 9.788 -8.217 1.00 0.80 H new ATOM 1264 N MET A 109 0.650 6.778 -3.801 1.00 0.31 N ATOM 1265 CA MET A 109 -0.587 6.248 -3.288 1.00 0.33 C ATOM 1266 C MET A 109 -1.712 7.041 -3.896 1.00 0.37 C ATOM 1267 O MET A 109 -1.830 8.235 -3.644 1.00 0.55 O ATOM 1268 CB MET A 109 -0.605 6.335 -1.759 1.00 0.43 C ATOM 1269 CG MET A 109 -1.558 5.353 -1.106 1.00 0.77 C ATOM 1270 SD MET A 109 -1.293 5.193 0.668 1.00 1.28 S ATOM 1271 CE MET A 109 -2.114 3.632 0.970 1.00 2.22 C ATOM 0 H MET A 109 0.872 7.719 -3.475 1.00 0.31 H new ATOM 0 HA MET A 109 -0.697 5.196 -3.551 1.00 0.33 H new ATOM 0 HB2 MET A 109 0.402 6.157 -1.381 1.00 0.43 H new ATOM 0 HB3 MET A 109 -0.881 7.347 -1.464 1.00 0.43 H new ATOM 0 HG2 MET A 109 -2.584 5.675 -1.287 1.00 0.77 H new ATOM 0 HG3 MET A 109 -1.443 4.376 -1.575 1.00 0.77 H new ATOM 0 HE1 MET A 109 -2.168 3.451 2.044 1.00 2.22 H new ATOM 0 HE2 MET A 109 -3.122 3.665 0.556 1.00 2.22 H new ATOM 0 HE3 MET A 109 -1.553 2.828 0.494 1.00 2.22 H new ATOM 1281 N LYS A 110 -2.511 6.399 -4.722 1.00 0.27 N ATOM 1282 CA LYS A 110 -3.456 7.127 -5.534 1.00 0.30 C ATOM 1283 C LYS A 110 -4.834 6.534 -5.402 1.00 0.24 C ATOM 1284 O LYS A 110 -5.002 5.325 -5.486 1.00 0.24 O ATOM 1285 CB LYS A 110 -3.033 7.112 -7.012 1.00 0.43 C ATOM 1286 CG LYS A 110 -2.900 5.709 -7.593 1.00 0.64 C ATOM 1287 CD LYS A 110 -2.937 5.703 -9.116 1.00 0.78 C ATOM 1288 CE LYS A 110 -1.740 6.415 -9.720 1.00 1.38 C ATOM 1289 NZ LYS A 110 -1.757 6.353 -11.204 1.00 1.73 N ATOM 0 H LYS A 110 -2.524 5.387 -4.847 1.00 0.27 H new ATOM 0 HA LYS A 110 -3.473 8.158 -5.181 1.00 0.30 H new ATOM 0 HB2 LYS A 110 -3.764 7.671 -7.596 1.00 0.43 H new ATOM 0 HB3 LYS A 110 -2.080 7.631 -7.114 1.00 0.43 H new ATOM 0 HG2 LYS A 110 -1.964 5.266 -7.254 1.00 0.64 H new ATOM 0 HG3 LYS A 110 -3.706 5.083 -7.211 1.00 0.64 H new ATOM 0 HD2 LYS A 110 -2.964 4.674 -9.473 1.00 0.78 H new ATOM 0 HD3 LYS A 110 -3.854 6.183 -9.458 1.00 0.78 H new ATOM 0 HE2 LYS A 110 -1.736 7.457 -9.399 1.00 1.38 H new ATOM 0 HE3 LYS A 110 -0.821 5.963 -9.347 1.00 1.38 H new ATOM 0 HZ1 LYS A 110 -0.925 6.849 -11.582 1.00 1.73 H new ATOM 0 HZ2 LYS A 110 -1.736 5.359 -11.510 1.00 1.73 H new ATOM 0 HZ3 LYS A 110 -2.622 6.807 -11.561 1.00 1.73 H new ATOM 1303 N LYS A 111 -5.813 7.380 -5.181 1.00 0.23 N ATOM 1304 CA LYS A 111 -7.170 6.970 -5.302 1.00 0.22 C ATOM 1305 C LYS A 111 -7.397 6.420 -6.693 1.00 0.22 C ATOM 1306 O LYS A 111 -7.191 7.125 -7.685 1.00 0.29 O ATOM 1307 CB LYS A 111 -8.039 8.180 -5.057 1.00 0.28 C ATOM 1308 CG LYS A 111 -9.520 7.929 -5.260 1.00 0.35 C ATOM 1309 CD LYS A 111 -10.299 9.228 -5.249 1.00 0.53 C ATOM 1310 CE LYS A 111 -11.796 8.971 -5.327 1.00 0.91 C ATOM 1311 NZ LYS A 111 -12.586 10.228 -5.229 1.00 1.78 N ATOM 0 H LYS A 111 -5.682 8.356 -4.916 1.00 0.23 H new ATOM 0 HA LYS A 111 -7.415 6.191 -4.581 1.00 0.22 H new ATOM 0 HB2 LYS A 111 -7.877 8.530 -4.038 1.00 0.28 H new ATOM 0 HB3 LYS A 111 -7.723 8.982 -5.724 1.00 0.28 H new ATOM 0 HG2 LYS A 111 -9.678 7.414 -6.208 1.00 0.35 H new ATOM 0 HG3 LYS A 111 -9.892 7.272 -4.474 1.00 0.35 H new ATOM 0 HD2 LYS A 111 -10.070 9.785 -4.341 1.00 0.53 H new ATOM 0 HD3 LYS A 111 -9.989 9.848 -6.090 1.00 0.53 H new ATOM 0 HE2 LYS A 111 -12.029 8.470 -6.266 1.00 0.91 H new ATOM 0 HE3 LYS A 111 -12.090 8.295 -4.524 1.00 0.91 H new ATOM 0 HZ1 LYS A 111 -13.590 10.022 -5.405 1.00 1.78 H new ATOM 0 HZ2 LYS A 111 -12.477 10.633 -4.277 1.00 1.78 H new ATOM 0 HZ3 LYS A 111 -12.244 10.909 -5.936 1.00 1.78 H new ATOM 1325 N ALA A 112 -7.757 5.142 -6.747 1.00 0.22 N ATOM 1326 CA ALA A 112 -7.975 4.449 -8.006 1.00 0.26 C ATOM 1327 C ALA A 112 -8.807 5.301 -8.954 1.00 0.38 C ATOM 1328 O ALA A 112 -9.737 5.992 -8.528 1.00 0.45 O ATOM 1329 CB ALA A 112 -8.660 3.116 -7.763 1.00 0.33 C ATOM 0 H ALA A 112 -7.905 4.562 -5.921 1.00 0.22 H new ATOM 0 HA ALA A 112 -7.004 4.268 -8.468 1.00 0.26 H new ATOM 0 HB1 ALA A 112 -8.817 2.609 -8.715 1.00 0.33 H new ATOM 0 HB2 ALA A 112 -8.034 2.497 -7.121 1.00 0.33 H new ATOM 0 HB3 ALA A 112 -9.622 3.284 -7.279 1.00 0.33 H new ATOM 1335 N LEU A 113 -8.480 5.238 -10.238 1.00 0.47 N ATOM 1336 CA LEU A 113 -9.104 6.105 -11.227 1.00 0.64 C ATOM 1337 C LEU A 113 -10.598 5.814 -11.333 1.00 0.76 C ATOM 1338 O LEU A 113 -11.386 6.679 -11.716 1.00 0.96 O ATOM 1339 CB LEU A 113 -8.423 5.939 -12.588 1.00 0.76 C ATOM 1340 CG LEU A 113 -8.798 6.993 -13.632 1.00 1.55 C ATOM 1341 CD1 LEU A 113 -8.441 8.389 -13.140 1.00 2.27 C ATOM 1342 CD2 LEU A 113 -8.099 6.703 -14.948 1.00 2.39 C ATOM 0 H LEU A 113 -7.786 4.595 -10.619 1.00 0.47 H new ATOM 0 HA LEU A 113 -8.982 7.139 -10.904 1.00 0.64 H new ATOM 0 HB2 LEU A 113 -7.343 5.962 -12.442 1.00 0.76 H new ATOM 0 HB3 LEU A 113 -8.670 4.954 -12.983 1.00 0.76 H new ATOM 0 HG LEU A 113 -9.876 6.951 -13.791 1.00 1.55 H new ATOM 0 HD11 LEU A 113 -8.716 9.123 -13.897 1.00 2.27 H new ATOM 0 HD12 LEU A 113 -8.982 8.599 -12.218 1.00 2.27 H new ATOM 0 HD13 LEU A 113 -7.369 8.446 -12.952 1.00 2.27 H new ATOM 0 HD21 LEU A 113 -8.375 7.461 -15.681 1.00 2.39 H new ATOM 0 HD22 LEU A 113 -7.020 6.719 -14.798 1.00 2.39 H new ATOM 0 HD23 LEU A 113 -8.400 5.720 -15.311 1.00 2.39 H new ATOM 1354 N SER A 114 -10.976 4.592 -10.992 1.00 0.73 N ATOM 1355 CA SER A 114 -12.378 4.228 -10.904 1.00 0.92 C ATOM 1356 C SER A 114 -12.946 4.677 -9.559 1.00 0.93 C ATOM 1357 O SER A 114 -13.977 5.351 -9.503 1.00 1.27 O ATOM 1358 CB SER A 114 -12.539 2.719 -11.085 1.00 1.04 C ATOM 1359 OG SER A 114 -12.013 2.305 -12.336 1.00 1.66 O ATOM 0 H SER A 114 -10.329 3.835 -10.772 1.00 0.73 H new ATOM 0 HA SER A 114 -12.932 4.729 -11.698 1.00 0.92 H new ATOM 0 HB2 SER A 114 -12.027 2.194 -10.278 1.00 1.04 H new ATOM 0 HB3 SER A 114 -13.594 2.451 -11.021 1.00 1.04 H new ATOM 0 HG SER A 114 -12.124 1.336 -12.433 1.00 1.66 H new ATOM 1365 N GLY A 115 -12.256 4.316 -8.481 1.00 0.71 N ATOM 1366 CA GLY A 115 -12.660 4.748 -7.157 1.00 0.79 C ATOM 1367 C GLY A 115 -12.780 3.598 -6.176 1.00 0.78 C ATOM 1368 O GLY A 115 -12.510 2.447 -6.527 1.00 1.52 O ATOM 0 H GLY A 115 -11.422 3.730 -8.502 1.00 0.71 H new ATOM 0 HA2 GLY A 115 -11.936 5.469 -6.778 1.00 0.79 H new ATOM 0 HA3 GLY A 115 -13.618 5.264 -7.224 1.00 0.79 H new ATOM 1372 N ASP A 116 -13.151 3.930 -4.937 1.00 0.72 N ATOM 1373 CA ASP A 116 -13.437 2.939 -3.891 1.00 0.85 C ATOM 1374 C ASP A 116 -12.209 2.090 -3.575 1.00 0.80 C ATOM 1375 O ASP A 116 -12.305 0.932 -3.164 1.00 1.40 O ATOM 1376 CB ASP A 116 -14.623 2.061 -4.312 1.00 1.25 C ATOM 1377 CG ASP A 116 -15.194 1.244 -3.169 1.00 2.10 C ATOM 1378 OD1 ASP A 116 -15.199 -0.002 -3.261 1.00 2.63 O ATOM 1379 OD2 ASP A 116 -15.666 1.844 -2.179 1.00 2.79 O ATOM 0 H ASP A 116 -13.262 4.896 -4.628 1.00 0.72 H new ATOM 0 HA ASP A 116 -13.703 3.471 -2.978 1.00 0.85 H new ATOM 0 HB2 ASP A 116 -15.408 2.695 -4.725 1.00 1.25 H new ATOM 0 HB3 ASP A 116 -14.305 1.388 -5.108 1.00 1.25 H new ATOM 1384 N SER A 117 -11.057 2.716 -3.720 1.00 0.42 N ATOM 1385 CA SER A 117 -9.772 2.057 -3.527 1.00 0.29 C ATOM 1386 C SER A 117 -8.628 3.040 -3.766 1.00 0.22 C ATOM 1387 O SER A 117 -8.800 4.052 -4.444 1.00 0.25 O ATOM 1388 CB SER A 117 -9.644 0.848 -4.451 1.00 0.34 C ATOM 1389 OG SER A 117 -10.121 1.133 -5.758 1.00 0.44 O ATOM 0 H SER A 117 -10.982 3.700 -3.976 1.00 0.42 H new ATOM 0 HA SER A 117 -9.715 1.706 -2.497 1.00 0.29 H new ATOM 0 HB2 SER A 117 -8.600 0.539 -4.504 1.00 0.34 H new ATOM 0 HB3 SER A 117 -10.203 0.010 -4.034 1.00 0.34 H new ATOM 0 HG SER A 117 -11.099 1.194 -5.743 1.00 0.44 H new ATOM 1395 N TYR A 118 -7.481 2.747 -3.182 1.00 0.19 N ATOM 1396 CA TYR A 118 -6.286 3.574 -3.319 1.00 0.19 C ATOM 1397 C TYR A 118 -5.071 2.678 -3.557 1.00 0.20 C ATOM 1398 O TYR A 118 -4.896 1.669 -2.878 1.00 0.25 O ATOM 1399 CB TYR A 118 -6.069 4.409 -2.048 1.00 0.22 C ATOM 1400 CG TYR A 118 -7.286 5.169 -1.599 1.00 0.23 C ATOM 1401 CD1 TYR A 118 -8.146 4.636 -0.657 1.00 0.30 C ATOM 1402 CD2 TYR A 118 -7.573 6.411 -2.125 1.00 0.25 C ATOM 1403 CE1 TYR A 118 -9.277 5.323 -0.253 1.00 0.35 C ATOM 1404 CE2 TYR A 118 -8.696 7.112 -1.729 1.00 0.30 C ATOM 1405 CZ TYR A 118 -9.547 6.564 -0.792 1.00 0.34 C ATOM 1406 OH TYR A 118 -10.672 7.258 -0.407 1.00 0.42 O ATOM 0 H TYR A 118 -7.347 1.924 -2.594 1.00 0.19 H new ATOM 0 HA TYR A 118 -6.416 4.248 -4.166 1.00 0.19 H new ATOM 0 HB2 TYR A 118 -5.748 3.749 -1.242 1.00 0.22 H new ATOM 0 HB3 TYR A 118 -5.257 5.115 -2.224 1.00 0.22 H new ATOM 0 HD1 TYR A 118 -7.932 3.668 -0.229 1.00 0.30 H new ATOM 0 HD2 TYR A 118 -6.909 6.843 -2.859 1.00 0.25 H new ATOM 0 HE1 TYR A 118 -9.944 4.891 0.479 1.00 0.35 H new ATOM 0 HE2 TYR A 118 -8.906 8.084 -2.151 1.00 0.30 H new ATOM 0 HH TYR A 118 -10.900 7.024 0.517 1.00 0.42 H new ATOM 1416 N TRP A 119 -4.232 3.040 -4.512 1.00 0.20 N ATOM 1417 CA TRP A 119 -3.099 2.218 -4.870 1.00 0.22 C ATOM 1418 C TRP A 119 -1.894 2.509 -4.009 1.00 0.25 C ATOM 1419 O TRP A 119 -1.810 3.545 -3.362 1.00 0.27 O ATOM 1420 CB TRP A 119 -2.694 2.475 -6.306 1.00 0.25 C ATOM 1421 CG TRP A 119 -3.653 1.974 -7.319 1.00 0.26 C ATOM 1422 CD1 TRP A 119 -4.891 2.466 -7.610 1.00 0.27 C ATOM 1423 CD2 TRP A 119 -3.424 0.891 -8.206 1.00 0.30 C ATOM 1424 NE1 TRP A 119 -5.454 1.729 -8.625 1.00 0.32 N ATOM 1425 CE2 TRP A 119 -4.564 0.755 -9.007 1.00 0.33 C ATOM 1426 CE3 TRP A 119 -2.354 0.020 -8.396 1.00 0.34 C ATOM 1427 CZ2 TRP A 119 -4.665 -0.228 -9.984 1.00 0.40 C ATOM 1428 CZ3 TRP A 119 -2.450 -0.949 -9.356 1.00 0.40 C ATOM 1429 CH2 TRP A 119 -3.599 -1.073 -10.145 1.00 0.42 C ATOM 0 H TRP A 119 -4.318 3.901 -5.052 1.00 0.20 H new ATOM 0 HA TRP A 119 -3.412 1.184 -4.725 1.00 0.22 H new ATOM 0 HB2 TRP A 119 -2.566 3.548 -6.447 1.00 0.25 H new ATOM 0 HB3 TRP A 119 -1.723 2.012 -6.484 1.00 0.25 H new ATOM 0 HD1 TRP A 119 -5.358 3.306 -7.118 1.00 0.27 H new ATOM 0 HE1 TRP A 119 -6.379 1.880 -9.027 1.00 0.32 H new ATOM 0 HE3 TRP A 119 -1.462 0.109 -7.794 1.00 0.34 H new ATOM 0 HZ2 TRP A 119 -5.551 -0.322 -10.594 1.00 0.40 H new ATOM 0 HZ3 TRP A 119 -1.625 -1.630 -9.508 1.00 0.40 H new ATOM 0 HH2 TRP A 119 -3.646 -1.849 -10.895 1.00 0.42 H new ATOM 1440 N VAL A 120 -0.957 1.585 -4.055 1.00 0.28 N ATOM 1441 CA VAL A 120 0.328 1.718 -3.394 1.00 0.32 C ATOM 1442 C VAL A 120 1.435 1.347 -4.378 1.00 0.34 C ATOM 1443 O VAL A 120 1.727 0.165 -4.586 1.00 0.43 O ATOM 1444 CB VAL A 120 0.416 0.923 -2.331 1.00 0.38 C ATOM 1445 CG1 VAL A 120 1.757 1.106 -1.625 1.00 0.56 C ATOM 1446 CG2 VAL A 120 -0.720 1.153 -1.350 1.00 0.62 C ATOM 0 H VAL A 120 -1.067 0.706 -4.560 1.00 0.28 H new ATOM 0 HA VAL A 120 0.432 2.751 -3.061 1.00 0.32 H new ATOM 0 HB VAL A 120 0.340 -0.101 -2.696 1.00 0.38 H new ATOM 0 HG11 VAL A 120 1.805 0.446 -0.759 1.00 0.56 H new ATOM 0 HG12 VAL A 120 2.567 0.862 -2.313 1.00 0.56 H new ATOM 0 HG13 VAL A 120 1.858 2.141 -1.298 1.00 0.56 H new ATOM 0 HG21 VAL A 120 -0.607 0.482 -0.498 1.00 0.62 H new ATOM 0 HG22 VAL A 120 -0.698 2.186 -1.004 1.00 0.62 H new ATOM 0 HG23 VAL A 120 -1.672 0.956 -1.843 1.00 0.62 H new ATOM 1456 N PHE A 121 2.029 2.353 -4.998 1.00 0.34 N ATOM 1457 CA PHE A 121 3.146 2.151 -5.888 1.00 0.42 C ATOM 1458 C PHE A 121 4.447 2.438 -5.155 1.00 0.40 C ATOM 1459 O PHE A 121 4.767 3.601 -4.894 1.00 0.49 O ATOM 1460 CB PHE A 121 3.032 3.089 -7.083 1.00 0.61 C ATOM 1461 CG PHE A 121 2.024 2.680 -8.117 1.00 0.49 C ATOM 1462 CD1 PHE A 121 0.690 3.021 -7.969 1.00 0.52 C ATOM 1463 CD2 PHE A 121 2.406 1.941 -9.223 1.00 0.98 C ATOM 1464 CE1 PHE A 121 -0.246 2.632 -8.908 1.00 0.96 C ATOM 1465 CE2 PHE A 121 1.474 1.551 -10.167 1.00 1.49 C ATOM 1466 CZ PHE A 121 0.173 1.951 -10.054 1.00 1.45 C ATOM 0 H PHE A 121 1.747 3.328 -4.895 1.00 0.34 H new ATOM 0 HA PHE A 121 3.139 1.117 -6.233 1.00 0.42 H new ATOM 0 HB2 PHE A 121 2.775 4.085 -6.721 1.00 0.61 H new ATOM 0 HB3 PHE A 121 4.009 3.165 -7.560 1.00 0.61 H new ATOM 0 HD1 PHE A 121 0.378 3.597 -7.110 1.00 0.52 H new ATOM 0 HD2 PHE A 121 3.443 1.666 -9.350 1.00 0.98 H new ATOM 0 HE1 PHE A 121 -1.293 2.852 -8.758 1.00 0.96 H new ATOM 0 HE2 PHE A 121 1.776 0.928 -10.996 1.00 1.49 H new ATOM 0 HZ PHE A 121 -0.529 1.742 -10.847 1.00 1.45 H new ATOM 1476 N VAL A 122 5.181 1.396 -4.806 1.00 0.49 N ATOM 1477 CA VAL A 122 6.455 1.572 -4.130 1.00 0.61 C ATOM 1478 C VAL A 122 7.622 1.177 -5.027 1.00 0.73 C ATOM 1479 O VAL A 122 7.558 0.184 -5.753 1.00 0.95 O ATOM 1480 CB VAL A 122 6.528 0.917 -2.976 1.00 0.77 C ATOM 1481 CG1 VAL A 122 5.584 1.538 -1.957 1.00 1.61 C ATOM 1482 CG2 VAL A 122 6.233 -0.569 -3.135 1.00 1.52 C ATOM 0 H VAL A 122 4.919 0.425 -4.978 1.00 0.49 H new ATOM 0 HA VAL A 122 6.523 2.636 -3.904 1.00 0.61 H new ATOM 0 HB VAL A 122 7.554 1.005 -2.618 1.00 0.77 H new ATOM 0 HG11 VAL A 122 5.654 0.992 -1.016 1.00 1.61 H new ATOM 0 HG12 VAL A 122 5.860 2.580 -1.793 1.00 1.61 H new ATOM 0 HG13 VAL A 122 4.561 1.488 -2.331 1.00 1.61 H new ATOM 0 HG21 VAL A 122 6.305 -1.060 -2.165 1.00 1.52 H new ATOM 0 HG22 VAL A 122 5.227 -0.700 -3.534 1.00 1.52 H new ATOM 0 HG23 VAL A 122 6.955 -1.012 -3.820 1.00 1.52 H new ATOM 1492 N LYS A 123 8.655 2.013 -5.027 1.00 0.76 N ATOM 1493 CA LYS A 123 9.861 1.775 -5.810 1.00 0.97 C ATOM 1494 C LYS A 123 11.048 2.405 -5.106 1.00 1.04 C ATOM 1495 O LYS A 123 10.942 3.515 -4.594 1.00 1.02 O ATOM 1496 CB LYS A 123 9.746 2.379 -7.219 1.00 1.11 C ATOM 1497 CG LYS A 123 8.646 1.781 -8.085 1.00 1.66 C ATOM 1498 CD LYS A 123 8.672 2.359 -9.493 1.00 2.03 C ATOM 1499 CE LYS A 123 9.927 1.938 -10.246 1.00 2.74 C ATOM 1500 NZ LYS A 123 10.039 2.604 -11.571 1.00 3.45 N ATOM 0 H LYS A 123 8.679 2.876 -4.483 1.00 0.76 H new ATOM 0 HA LYS A 123 9.994 0.697 -5.904 1.00 0.97 H new ATOM 0 HB2 LYS A 123 9.573 3.451 -7.126 1.00 1.11 H new ATOM 0 HB3 LYS A 123 10.700 2.254 -7.731 1.00 1.11 H new ATOM 0 HG2 LYS A 123 8.766 0.699 -8.132 1.00 1.66 H new ATOM 0 HG3 LYS A 123 7.675 1.975 -7.628 1.00 1.66 H new ATOM 0 HD2 LYS A 123 7.790 2.027 -10.040 1.00 2.03 H new ATOM 0 HD3 LYS A 123 8.625 3.447 -9.442 1.00 2.03 H new ATOM 0 HE2 LYS A 123 10.805 2.177 -9.646 1.00 2.74 H new ATOM 0 HE3 LYS A 123 9.920 0.857 -10.384 1.00 2.74 H new ATOM 0 HZ1 LYS A 123 10.908 2.287 -12.047 1.00 3.45 H new ATOM 0 HZ2 LYS A 123 9.215 2.356 -12.155 1.00 3.45 H new ATOM 0 HZ3 LYS A 123 10.073 3.635 -11.440 1.00 3.45 H new