USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=13 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 41 GLN : amide:sc= 0.14 K(o=0.51,f=-0.55) USER MOD Set 1.2: A 43 ASN : amide:sc= 0.374 K(o=0.51,f=-0.76) USER MOD Single : A 32 GLN : amide:sc= -2.57! C(o=-2.6!,f=-8.1!) USER MOD Single : A 38 ASN : amide:sc= -1.86! K(o=-1.9!,f=-0.002) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00331) USER MOD Single : A 85 SER OG : rot 70:sc= 1.31 USER MOD Single : A 87 ASN : amide:sc= -0.149 X(o=-0.15,f=-0.37) USER MOD Single : A 89 ASN : amide:sc= -0.0074 K(o=-0.0074,f=-0.6) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.427 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+ 139:sc= -1 (180deg=-3.36!) USER MOD Single : A 106 LYS NZ :NH3+ 138:sc= 0.191 (180deg=-2.01!) USER MOD Single : A 108 HIS : no HD1:sc= -0.0156 X(o=-0.016,f=0) USER MOD Single : A 109 MET CE :methyl 139:sc= -0.819 (180deg=-4.25!) USER MOD Single : A 110 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0579) USER MOD Single : A 111 LYS NZ :NH3+ 155:sc= 1.31 (180deg=1.17) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot -130:sc= -0.755 USER MOD Single : A 118 TYR OH : rot 180:sc= -2.59! USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 29 6.238 -1.040 -8.854 1.00 1.43 N ATOM 51 CA GLY A 29 5.747 -1.544 -7.590 1.00 0.99 C ATOM 52 C GLY A 29 4.287 -1.204 -7.406 1.00 0.78 C ATOM 53 O GLY A 29 3.890 -0.675 -6.372 1.00 1.00 O ATOM 0 HA2 GLY A 29 5.881 -2.625 -7.548 1.00 0.99 H new ATOM 0 HA3 GLY A 29 6.330 -1.118 -6.773 1.00 0.99 H new ATOM 57 N ALA A 30 3.489 -1.501 -8.422 1.00 0.70 N ATOM 58 CA ALA A 30 2.090 -1.101 -8.438 1.00 0.54 C ATOM 59 C ALA A 30 1.186 -2.148 -7.800 1.00 0.49 C ATOM 60 O ALA A 30 0.865 -3.174 -8.407 1.00 0.60 O ATOM 61 CB ALA A 30 1.640 -0.825 -9.865 1.00 0.68 C ATOM 0 H ALA A 30 3.788 -2.019 -9.248 1.00 0.70 H new ATOM 0 HA ALA A 30 2.006 -0.190 -7.845 1.00 0.54 H new ATOM 0 HB1 ALA A 30 0.592 -0.527 -9.865 1.00 0.68 H new ATOM 0 HB2 ALA A 30 2.245 -0.024 -10.289 1.00 0.68 H new ATOM 0 HB3 ALA A 30 1.760 -1.727 -10.465 1.00 0.68 H new ATOM 67 N ILE A 31 0.778 -1.881 -6.575 1.00 0.40 N ATOM 68 CA ILE A 31 -0.209 -2.697 -5.901 1.00 0.39 C ATOM 69 C ILE A 31 -1.364 -1.821 -5.450 1.00 0.35 C ATOM 70 O ILE A 31 -1.170 -0.668 -5.085 1.00 0.36 O ATOM 71 CB ILE A 31 0.313 -3.374 -4.884 1.00 0.46 C ATOM 72 CG1 ILE A 31 -0.732 -4.221 -4.166 1.00 0.48 C ATOM 73 CG2 ILE A 31 1.055 -2.456 -3.911 1.00 0.52 C ATOM 74 CD1 ILE A 31 -0.208 -4.914 -2.924 1.00 0.90 C ATOM 0 H ILE A 31 1.120 -1.095 -6.022 1.00 0.40 H new ATOM 0 HA ILE A 31 -0.580 -3.442 -6.605 1.00 0.39 H new ATOM 0 HB ILE A 31 1.047 -4.060 -5.307 1.00 0.46 H new ATOM 0 HG12 ILE A 31 -1.573 -3.586 -3.889 1.00 0.48 H new ATOM 0 HG13 ILE A 31 -1.114 -4.973 -4.857 1.00 0.48 H new ATOM 0 HG21 ILE A 31 1.467 -3.048 -3.094 1.00 0.52 H new ATOM 0 HG22 ILE A 31 1.865 -1.949 -4.435 1.00 0.52 H new ATOM 0 HG23 ILE A 31 0.363 -1.716 -3.509 1.00 0.52 H new ATOM 0 HD11 ILE A 31 -1.008 -5.497 -2.468 1.00 0.90 H new ATOM 0 HD12 ILE A 31 0.614 -5.576 -3.196 1.00 0.90 H new ATOM 0 HD13 ILE A 31 0.147 -4.168 -2.214 1.00 0.90 H new ATOM 86 N GLN A 32 -2.570 -2.321 -5.589 1.00 0.38 N ATOM 87 CA GLN A 32 -3.735 -1.527 -5.254 1.00 0.40 C ATOM 88 C GLN A 32 -4.520 -2.133 -4.106 1.00 0.37 C ATOM 89 O GLN A 32 -4.730 -3.350 -4.035 1.00 0.44 O ATOM 90 CB GLN A 32 -4.631 -1.320 -6.475 1.00 0.50 C ATOM 91 CG GLN A 32 -5.262 -2.578 -7.032 1.00 0.55 C ATOM 92 CD GLN A 32 -6.770 -2.477 -7.091 1.00 1.11 C ATOM 93 OE1 GLN A 32 -7.460 -2.845 -6.150 1.00 2.22 O ATOM 94 NE2 GLN A 32 -7.293 -1.965 -8.193 1.00 0.93 N ATOM 0 H GLN A 32 -2.772 -3.262 -5.927 1.00 0.38 H new ATOM 0 HA GLN A 32 -3.375 -0.552 -4.926 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -5.425 -0.622 -6.209 1.00 0.50 H new ATOM 0 HB3 GLN A 32 -4.042 -0.849 -7.262 1.00 0.50 H new ATOM 0 HG2 GLN A 32 -4.872 -2.767 -8.032 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -4.980 -3.430 -6.413 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -6.685 -1.669 -8.957 1.00 0.93 H new ATOM 0 HE22 GLN A 32 -8.305 -1.866 -8.279 1.00 0.93 H new ATOM 103 N LEU A 33 -4.939 -1.268 -3.205 1.00 0.34 N ATOM 104 CA LEU A 33 -5.731 -1.678 -2.057 1.00 0.36 C ATOM 105 C LEU A 33 -6.999 -0.856 -1.973 1.00 0.35 C ATOM 106 O LEU A 33 -7.135 0.165 -2.642 1.00 0.43 O ATOM 107 CB LEU A 33 -4.910 -1.563 -0.759 1.00 0.45 C ATOM 108 CG LEU A 33 -4.203 -0.221 -0.508 1.00 0.46 C ATOM 109 CD1 LEU A 33 -5.181 0.839 -0.023 1.00 0.72 C ATOM 110 CD2 LEU A 33 -3.081 -0.399 0.500 1.00 0.71 C ATOM 0 H LEU A 33 -4.744 -0.268 -3.244 1.00 0.34 H new ATOM 0 HA LEU A 33 -6.010 -2.724 -2.183 1.00 0.36 H new ATOM 0 HB2 LEU A 33 -5.574 -1.761 0.083 1.00 0.45 H new ATOM 0 HB3 LEU A 33 -4.156 -2.350 -0.762 1.00 0.45 H new ATOM 0 HG LEU A 33 -3.783 0.118 -1.455 1.00 0.46 H new ATOM 0 HD11 LEU A 33 -4.649 1.775 0.145 1.00 0.72 H new ATOM 0 HD12 LEU A 33 -5.955 0.991 -0.775 1.00 0.72 H new ATOM 0 HD13 LEU A 33 -5.641 0.511 0.909 1.00 0.72 H new ATOM 0 HD21 LEU A 33 -2.588 0.559 0.669 1.00 0.71 H new ATOM 0 HD22 LEU A 33 -3.492 -0.767 1.440 1.00 0.71 H new ATOM 0 HD23 LEU A 33 -2.357 -1.117 0.115 1.00 0.71 H new ATOM 122 N ASP A 34 -7.933 -1.313 -1.175 1.00 0.35 N ATOM 123 CA ASP A 34 -9.143 -0.548 -0.939 1.00 0.45 C ATOM 124 C ASP A 34 -9.020 0.242 0.347 1.00 0.53 C ATOM 125 O ASP A 34 -8.204 -0.072 1.216 1.00 0.58 O ATOM 126 CB ASP A 34 -10.402 -1.435 -0.920 1.00 0.55 C ATOM 127 CG ASP A 34 -10.386 -2.543 0.119 1.00 0.65 C ATOM 128 OD1 ASP A 34 -9.881 -2.326 1.244 1.00 0.88 O ATOM 129 OD2 ASP A 34 -10.922 -3.637 -0.184 1.00 1.15 O ATOM 0 H ASP A 34 -7.884 -2.203 -0.679 1.00 0.35 H new ATOM 0 HA ASP A 34 -9.260 0.145 -1.772 1.00 0.45 H new ATOM 0 HB2 ASP A 34 -11.272 -0.803 -0.743 1.00 0.55 H new ATOM 0 HB3 ASP A 34 -10.529 -1.883 -1.906 1.00 0.55 H new ATOM 134 N GLY A 35 -9.825 1.282 0.455 1.00 0.67 N ATOM 135 CA GLY A 35 -9.836 2.095 1.650 1.00 0.84 C ATOM 136 C GLY A 35 -10.635 1.449 2.759 1.00 0.85 C ATOM 137 O GLY A 35 -11.179 2.130 3.629 1.00 1.20 O ATOM 0 H GLY A 35 -10.477 1.581 -0.270 1.00 0.67 H new ATOM 0 HA2 GLY A 35 -8.813 2.260 1.987 1.00 0.84 H new ATOM 0 HA3 GLY A 35 -10.257 3.074 1.420 1.00 0.84 H new ATOM 141 N ASP A 36 -10.720 0.128 2.712 1.00 0.69 N ATOM 142 CA ASP A 36 -11.466 -0.631 3.697 1.00 0.83 C ATOM 143 C ASP A 36 -10.501 -1.314 4.657 1.00 0.83 C ATOM 144 O ASP A 36 -10.880 -1.733 5.754 1.00 1.10 O ATOM 145 CB ASP A 36 -12.355 -1.660 2.999 1.00 0.89 C ATOM 146 CG ASP A 36 -13.517 -2.109 3.866 1.00 1.24 C ATOM 147 OD1 ASP A 36 -14.539 -1.390 3.927 1.00 1.81 O ATOM 148 OD2 ASP A 36 -13.411 -3.182 4.494 1.00 1.77 O ATOM 0 H ASP A 36 -10.275 -0.443 1.993 1.00 0.69 H new ATOM 0 HA ASP A 36 -12.105 0.044 4.267 1.00 0.83 H new ATOM 0 HB2 ASP A 36 -12.741 -1.233 2.073 1.00 0.89 H new ATOM 0 HB3 ASP A 36 -11.755 -2.527 2.725 1.00 0.89 H new ATOM 153 N GLY A 37 -9.243 -1.434 4.236 1.00 0.67 N ATOM 154 CA GLY A 37 -8.210 -1.903 5.140 1.00 0.81 C ATOM 155 C GLY A 37 -7.382 -3.054 4.596 1.00 0.78 C ATOM 156 O GLY A 37 -6.511 -3.572 5.299 1.00 1.05 O ATOM 0 H GLY A 37 -8.924 -1.216 3.292 1.00 0.67 H new ATOM 0 HA2 GLY A 37 -7.545 -1.072 5.377 1.00 0.81 H new ATOM 0 HA3 GLY A 37 -8.675 -2.215 6.075 1.00 0.81 H new ATOM 160 N ASN A 38 -7.620 -3.460 3.355 1.00 0.61 N ATOM 161 CA ASN A 38 -6.903 -4.607 2.803 1.00 0.73 C ATOM 162 C ASN A 38 -6.613 -4.437 1.325 1.00 0.57 C ATOM 163 O ASN A 38 -7.228 -3.621 0.639 1.00 0.49 O ATOM 164 CB ASN A 38 -7.660 -5.923 3.057 1.00 0.95 C ATOM 165 CG ASN A 38 -8.902 -6.119 2.199 1.00 1.13 C ATOM 166 OD1 ASN A 38 -9.220 -7.243 1.812 1.00 1.57 O ATOM 167 ND2 ASN A 38 -9.626 -5.052 1.917 1.00 1.38 N ATOM 0 H ASN A 38 -8.290 -3.024 2.721 1.00 0.61 H new ATOM 0 HA ASN A 38 -5.947 -4.658 3.325 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -6.980 -6.757 2.883 1.00 0.95 H new ATOM 0 HB3 ASN A 38 -7.951 -5.962 4.107 1.00 0.95 H new ATOM 0 HD21 ASN A 38 -10.477 -5.145 1.363 1.00 1.38 H new ATOM 0 HD22 ASN A 38 -9.334 -4.134 2.253 1.00 1.38 H new ATOM 174 N ILE A 39 -5.637 -5.197 0.854 1.00 0.65 N ATOM 175 CA ILE A 39 -5.256 -5.183 -0.535 1.00 0.57 C ATOM 176 C ILE A 39 -6.352 -5.826 -1.376 1.00 0.59 C ATOM 177 O ILE A 39 -7.077 -6.700 -0.899 1.00 0.77 O ATOM 178 CB ILE A 39 -4.114 -5.837 -0.686 1.00 0.62 C ATOM 179 CG1 ILE A 39 -3.059 -5.277 0.261 1.00 0.72 C ATOM 180 CG2 ILE A 39 -3.616 -5.786 -2.124 1.00 0.61 C ATOM 181 CD1 ILE A 39 -2.405 -3.994 -0.209 1.00 1.18 C ATOM 0 H ILE A 39 -5.091 -5.838 1.430 1.00 0.65 H new ATOM 0 HA ILE A 39 -5.121 -4.154 -0.867 1.00 0.57 H new ATOM 0 HB ILE A 39 -4.298 -6.883 -0.441 1.00 0.62 H new ATOM 0 HG12 ILE A 39 -3.520 -5.099 1.233 1.00 0.72 H new ATOM 0 HG13 ILE A 39 -2.285 -6.031 0.408 1.00 0.72 H new ATOM 0 HG21 ILE A 39 -2.677 -6.334 -2.204 1.00 0.61 H new ATOM 0 HG22 ILE A 39 -4.358 -6.239 -2.782 1.00 0.61 H new ATOM 0 HG23 ILE A 39 -3.456 -4.748 -2.417 1.00 0.61 H new ATOM 0 HD11 ILE A 39 -1.669 -3.670 0.527 1.00 1.18 H new ATOM 0 HD12 ILE A 39 -1.911 -4.167 -1.165 1.00 1.18 H new ATOM 0 HD13 ILE A 39 -3.164 -3.221 -0.328 1.00 1.18 H new ATOM 193 N LEU A 40 -6.521 -5.334 -2.587 1.00 0.51 N ATOM 194 CA LEU A 40 -7.531 -5.871 -3.483 1.00 0.61 C ATOM 195 C LEU A 40 -6.880 -6.573 -4.668 1.00 0.60 C ATOM 196 O LEU A 40 -7.274 -7.680 -5.035 1.00 0.72 O ATOM 197 CB LEU A 40 -8.453 -4.754 -3.968 1.00 0.66 C ATOM 198 CG LEU A 40 -9.627 -5.206 -4.843 1.00 1.07 C ATOM 199 CD1 LEU A 40 -10.512 -6.184 -4.091 1.00 1.56 C ATOM 200 CD2 LEU A 40 -10.444 -4.008 -5.300 1.00 1.54 C ATOM 0 H LEU A 40 -5.974 -4.565 -2.975 1.00 0.51 H new ATOM 0 HA LEU A 40 -8.124 -6.603 -2.935 1.00 0.61 H new ATOM 0 HB2 LEU A 40 -8.850 -4.230 -3.099 1.00 0.66 H new ATOM 0 HB3 LEU A 40 -7.859 -4.034 -4.530 1.00 0.66 H new ATOM 0 HG LEU A 40 -9.221 -5.709 -5.721 1.00 1.07 H new ATOM 0 HD11 LEU A 40 -11.339 -6.492 -4.731 1.00 1.56 H new ATOM 0 HD12 LEU A 40 -9.928 -7.059 -3.807 1.00 1.56 H new ATOM 0 HD13 LEU A 40 -10.905 -5.704 -3.195 1.00 1.56 H new ATOM 0 HD21 LEU A 40 -11.273 -4.348 -5.920 1.00 1.54 H new ATOM 0 HD22 LEU A 40 -10.834 -3.481 -4.430 1.00 1.54 H new ATOM 0 HD23 LEU A 40 -9.811 -3.335 -5.878 1.00 1.54 H new ATOM 212 N GLN A 41 -5.883 -5.927 -5.269 1.00 0.50 N ATOM 213 CA GLN A 41 -5.189 -6.512 -6.409 1.00 0.55 C ATOM 214 C GLN A 41 -3.711 -6.113 -6.445 1.00 0.46 C ATOM 215 O GLN A 41 -3.368 -4.929 -6.511 1.00 0.46 O ATOM 216 CB GLN A 41 -5.880 -6.093 -7.708 1.00 0.67 C ATOM 217 CG GLN A 41 -5.229 -6.651 -8.960 1.00 1.08 C ATOM 218 CD GLN A 41 -5.977 -6.271 -10.222 1.00 1.73 C ATOM 219 OE1 GLN A 41 -7.198 -6.100 -10.205 1.00 2.41 O ATOM 220 NE2 GLN A 41 -5.253 -6.118 -11.319 1.00 2.37 N ATOM 0 H GLN A 41 -5.542 -5.008 -4.988 1.00 0.50 H new ATOM 0 HA GLN A 41 -5.232 -7.596 -6.304 1.00 0.55 H new ATOM 0 HB2 GLN A 41 -6.920 -6.418 -7.676 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.888 -5.005 -7.769 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -4.204 -6.287 -9.026 1.00 1.08 H new ATOM 0 HG3 GLN A 41 -5.177 -7.737 -8.885 1.00 1.08 H new ATOM 0 HE21 GLN A 41 -4.245 -6.269 -11.290 1.00 2.37 H new ATOM 0 HE22 GLN A 41 -5.703 -5.849 -12.194 1.00 2.37 H new ATOM 229 N TYR A 42 -2.841 -7.109 -6.386 1.00 0.57 N ATOM 230 CA TYR A 42 -1.412 -6.896 -6.564 1.00 0.58 C ATOM 231 C TYR A 42 -1.021 -7.229 -8.000 1.00 0.65 C ATOM 232 O TYR A 42 -1.442 -8.247 -8.545 1.00 0.79 O ATOM 233 CB TYR A 42 -0.616 -7.755 -5.575 1.00 0.71 C ATOM 234 CG TYR A 42 0.883 -7.703 -5.784 1.00 0.82 C ATOM 235 CD1 TYR A 42 1.577 -8.811 -6.254 1.00 1.09 C ATOM 236 CD2 TYR A 42 1.600 -6.547 -5.513 1.00 0.82 C ATOM 237 CE1 TYR A 42 2.944 -8.767 -6.447 1.00 1.26 C ATOM 238 CE2 TYR A 42 2.967 -6.494 -5.705 1.00 1.02 C ATOM 239 CZ TYR A 42 3.634 -7.608 -6.172 1.00 1.21 C ATOM 240 OH TYR A 42 4.997 -7.562 -6.361 1.00 1.42 O ATOM 0 H TYR A 42 -3.102 -8.080 -6.215 1.00 0.57 H new ATOM 0 HA TYR A 42 -1.179 -5.850 -6.367 1.00 0.58 H new ATOM 0 HB2 TYR A 42 -0.843 -7.428 -4.560 1.00 0.71 H new ATOM 0 HB3 TYR A 42 -0.949 -8.790 -5.658 1.00 0.71 H new ATOM 0 HD1 TYR A 42 1.039 -9.722 -6.472 1.00 1.09 H new ATOM 0 HD2 TYR A 42 1.081 -5.674 -5.146 1.00 0.82 H new ATOM 0 HE1 TYR A 42 3.469 -9.638 -6.812 1.00 1.26 H new ATOM 0 HE2 TYR A 42 3.511 -5.586 -5.491 1.00 1.02 H new ATOM 0 HH TYR A 42 5.331 -6.672 -6.122 1.00 1.42 H new ATOM 250 N ASN A 43 -0.224 -6.368 -8.615 1.00 0.63 N ATOM 251 CA ASN A 43 0.163 -6.562 -10.003 1.00 0.75 C ATOM 252 C ASN A 43 1.615 -6.998 -10.102 1.00 0.92 C ATOM 253 O ASN A 43 2.529 -6.183 -9.977 1.00 1.02 O ATOM 254 CB ASN A 43 -0.058 -5.285 -10.817 1.00 0.78 C ATOM 255 CG ASN A 43 -1.497 -4.807 -10.775 1.00 0.73 C ATOM 256 OD1 ASN A 43 -2.332 -5.230 -11.575 1.00 1.21 O ATOM 257 ND2 ASN A 43 -1.792 -3.904 -9.852 1.00 0.88 N ATOM 0 H ASN A 43 0.165 -5.533 -8.177 1.00 0.63 H new ATOM 0 HA ASN A 43 -0.467 -7.349 -10.416 1.00 0.75 H new ATOM 0 HB2 ASN A 43 0.593 -4.498 -10.436 1.00 0.78 H new ATOM 0 HB3 ASN A 43 0.231 -5.464 -11.853 1.00 0.78 H new ATOM 0 HD21 ASN A 43 -2.740 -3.533 -9.786 1.00 0.88 H new ATOM 0 HD22 ASN A 43 -1.071 -3.579 -9.208 1.00 0.88 H new ATOM 756 N GLY A 77 1.323 8.032 3.520 1.00 3.20 N ATOM 757 CA GLY A 77 1.233 9.476 3.561 1.00 2.71 C ATOM 758 C GLY A 77 -0.105 9.927 4.096 1.00 1.94 C ATOM 759 O GLY A 77 -0.827 10.671 3.429 1.00 2.44 O ATOM 0 HA2 GLY A 77 2.031 9.875 4.188 1.00 2.71 H new ATOM 0 HA3 GLY A 77 1.382 9.880 2.560 1.00 2.71 H new ATOM 763 N LYS A 78 -0.423 9.457 5.304 1.00 1.39 N ATOM 764 CA LYS A 78 -1.715 9.703 5.941 1.00 1.29 C ATOM 765 C LYS A 78 -2.839 9.073 5.126 1.00 1.03 C ATOM 766 O LYS A 78 -3.461 9.716 4.279 1.00 1.02 O ATOM 767 CB LYS A 78 -1.954 11.201 6.155 1.00 2.10 C ATOM 768 CG LYS A 78 -0.932 11.836 7.084 1.00 2.61 C ATOM 769 CD LYS A 78 -1.186 13.321 7.282 1.00 3.18 C ATOM 770 CE LYS A 78 -2.514 13.576 7.973 1.00 3.78 C ATOM 771 NZ LYS A 78 -2.727 15.024 8.221 1.00 4.14 N ATOM 0 H LYS A 78 0.212 8.893 5.869 1.00 1.39 H new ATOM 0 HA LYS A 78 -1.704 9.234 6.925 1.00 1.29 H new ATOM 0 HB2 LYS A 78 -1.927 11.709 5.191 1.00 2.10 H new ATOM 0 HB3 LYS A 78 -2.953 11.349 6.566 1.00 2.10 H new ATOM 0 HG2 LYS A 78 -0.958 11.332 8.050 1.00 2.61 H new ATOM 0 HG3 LYS A 78 0.068 11.691 6.676 1.00 2.61 H new ATOM 0 HD2 LYS A 78 -0.379 13.753 7.874 1.00 3.18 H new ATOM 0 HD3 LYS A 78 -1.176 13.824 6.315 1.00 3.18 H new ATOM 0 HE2 LYS A 78 -3.326 13.187 7.358 1.00 3.78 H new ATOM 0 HE3 LYS A 78 -2.543 13.035 8.919 1.00 3.78 H new ATOM 0 HZ1 LYS A 78 -3.643 15.164 8.694 1.00 4.14 H new ATOM 0 HZ2 LYS A 78 -1.965 15.388 8.827 1.00 4.14 H new ATOM 0 HZ3 LYS A 78 -2.723 15.536 7.316 1.00 4.14 H new ATOM 785 N PHE A 79 -3.083 7.797 5.397 1.00 0.95 N ATOM 786 CA PHE A 79 -4.032 7.006 4.628 1.00 0.77 C ATOM 787 C PHE A 79 -5.463 7.382 4.973 1.00 0.70 C ATOM 788 O PHE A 79 -6.263 7.673 4.067 1.00 0.64 O ATOM 789 CB PHE A 79 -3.801 5.514 4.880 1.00 0.88 C ATOM 790 CG PHE A 79 -4.789 4.614 4.186 1.00 0.79 C ATOM 791 CD1 PHE A 79 -5.826 4.030 4.890 1.00 0.86 C ATOM 792 CD2 PHE A 79 -4.674 4.353 2.829 1.00 0.78 C ATOM 793 CE1 PHE A 79 -6.732 3.202 4.257 1.00 0.85 C ATOM 794 CE2 PHE A 79 -5.578 3.525 2.190 1.00 0.84 C ATOM 795 CZ PHE A 79 -6.615 2.960 2.902 1.00 0.82 C ATOM 0 H PHE A 79 -2.630 7.284 6.153 1.00 0.95 H new ATOM 0 HA PHE A 79 -3.872 7.217 3.571 1.00 0.77 H new ATOM 0 HB2 PHE A 79 -2.795 5.252 4.552 1.00 0.88 H new ATOM 0 HB3 PHE A 79 -3.846 5.326 5.953 1.00 0.88 H new ATOM 0 HD1 PHE A 79 -5.929 4.224 5.948 1.00 0.86 H new ATOM 0 HD2 PHE A 79 -3.869 4.801 2.265 1.00 0.78 H new ATOM 0 HE1 PHE A 79 -7.531 2.744 4.821 1.00 0.85 H new ATOM 0 HE2 PHE A 79 -5.472 3.321 1.135 1.00 0.84 H new ATOM 0 HZ PHE A 79 -7.335 2.329 2.401 1.00 0.82 H new ATOM 805 N LYS A 80 -5.778 7.385 6.280 1.00 0.82 N ATOM 806 CA LYS A 80 -7.124 7.712 6.734 1.00 0.89 C ATOM 807 C LYS A 80 -7.486 9.141 6.328 1.00 0.81 C ATOM 808 O LYS A 80 -8.645 9.448 6.038 1.00 0.87 O ATOM 809 CB LYS A 80 -7.247 7.526 8.251 1.00 1.12 C ATOM 810 CG LYS A 80 -8.658 7.753 8.783 1.00 1.66 C ATOM 811 CD LYS A 80 -9.675 6.866 8.074 1.00 2.17 C ATOM 812 CE LYS A 80 -11.096 7.160 8.530 1.00 2.87 C ATOM 813 NZ LYS A 80 -11.333 6.732 9.931 1.00 3.48 N ATOM 0 H LYS A 80 -5.120 7.166 7.028 1.00 0.82 H new ATOM 0 HA LYS A 80 -7.827 7.029 6.256 1.00 0.89 H new ATOM 0 HB2 LYS A 80 -6.928 6.517 8.512 1.00 1.12 H new ATOM 0 HB3 LYS A 80 -6.565 8.215 8.749 1.00 1.12 H new ATOM 0 HG2 LYS A 80 -8.681 7.550 9.854 1.00 1.66 H new ATOM 0 HG3 LYS A 80 -8.933 8.800 8.652 1.00 1.66 H new ATOM 0 HD2 LYS A 80 -9.600 7.017 6.997 1.00 2.17 H new ATOM 0 HD3 LYS A 80 -9.441 5.819 8.266 1.00 2.17 H new ATOM 0 HE2 LYS A 80 -11.291 8.229 8.440 1.00 2.87 H new ATOM 0 HE3 LYS A 80 -11.800 6.651 7.872 1.00 2.87 H new ATOM 0 HZ1 LYS A 80 -12.318 6.936 10.194 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -11.156 5.711 10.017 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -10.691 7.249 10.565 1.00 3.48 H new ATOM 827 N GLU A 81 -6.477 9.997 6.262 1.00 0.78 N ATOM 828 CA GLU A 81 -6.667 11.367 5.833 1.00 0.78 C ATOM 829 C GLU A 81 -6.851 11.381 4.327 1.00 0.62 C ATOM 830 O GLU A 81 -7.663 12.128 3.792 1.00 0.64 O ATOM 831 CB GLU A 81 -5.466 12.226 6.233 1.00 0.96 C ATOM 832 CG GLU A 81 -5.576 13.675 5.795 1.00 1.53 C ATOM 833 CD GLU A 81 -6.691 14.415 6.501 1.00 2.31 C ATOM 834 OE1 GLU A 81 -7.857 14.268 6.089 1.00 3.07 O ATOM 835 OE2 GLU A 81 -6.409 15.137 7.481 1.00 2.63 O ATOM 0 H GLU A 81 -5.514 9.761 6.503 1.00 0.78 H new ATOM 0 HA GLU A 81 -7.551 11.784 6.316 1.00 0.78 H new ATOM 0 HB2 GLU A 81 -5.351 12.191 7.316 1.00 0.96 H new ATOM 0 HB3 GLU A 81 -4.563 11.794 5.803 1.00 0.96 H new ATOM 0 HG2 GLU A 81 -4.630 14.181 5.988 1.00 1.53 H new ATOM 0 HG3 GLU A 81 -5.744 13.713 4.719 1.00 1.53 H new ATOM 842 N GLY A 82 -6.110 10.513 3.661 1.00 0.55 N ATOM 843 CA GLY A 82 -6.223 10.359 2.239 1.00 0.47 C ATOM 844 C GLY A 82 -7.625 9.964 1.837 1.00 0.46 C ATOM 845 O GLY A 82 -8.188 10.477 0.865 1.00 0.49 O ATOM 0 H GLY A 82 -5.419 9.902 4.097 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -5.952 11.293 1.748 1.00 0.47 H new ATOM 0 HA3 GLY A 82 -5.518 9.602 1.896 1.00 0.47 H new ATOM 849 N VAL A 83 -8.179 9.049 2.619 1.00 0.51 N ATOM 850 CA VAL A 83 -9.532 8.558 2.421 1.00 0.61 C ATOM 851 C VAL A 83 -10.542 9.680 2.600 1.00 0.70 C ATOM 852 O VAL A 83 -11.381 9.920 1.729 1.00 0.79 O ATOM 853 CB VAL A 83 -9.808 7.597 3.288 1.00 0.70 C ATOM 854 CG1 VAL A 83 -11.245 7.108 3.130 1.00 0.85 C ATOM 855 CG2 VAL A 83 -8.848 6.432 3.145 1.00 0.69 C ATOM 0 H VAL A 83 -7.699 8.625 3.413 1.00 0.51 H new ATOM 0 HA VAL A 83 -9.597 8.167 1.406 1.00 0.61 H new ATOM 0 HB VAL A 83 -9.691 8.021 4.285 1.00 0.70 H new ATOM 0 HG11 VAL A 83 -11.443 6.319 3.855 1.00 0.85 H new ATOM 0 HG12 VAL A 83 -11.932 7.937 3.299 1.00 0.85 H new ATOM 0 HG13 VAL A 83 -11.388 6.718 2.122 1.00 0.85 H new ATOM 0 HG21 VAL A 83 -9.102 5.660 3.871 1.00 0.69 H new ATOM 0 HG22 VAL A 83 -8.922 6.021 2.138 1.00 0.69 H new ATOM 0 HG23 VAL A 83 -7.829 6.776 3.323 1.00 0.69 H new ATOM 865 N ALA A 84 -10.415 10.403 3.706 1.00 0.76 N ATOM 866 CA ALA A 84 -11.405 11.398 4.081 1.00 0.94 C ATOM 867 C ALA A 84 -11.253 12.656 3.251 1.00 0.88 C ATOM 868 O ALA A 84 -12.222 13.380 3.021 1.00 1.07 O ATOM 869 CB ALA A 84 -11.311 11.712 5.566 1.00 1.12 C ATOM 0 H ALA A 84 -9.635 10.317 4.357 1.00 0.76 H new ATOM 0 HA ALA A 84 -12.394 10.985 3.881 1.00 0.94 H new ATOM 0 HB1 ALA A 84 -12.060 12.459 5.828 1.00 1.12 H new ATOM 0 HB2 ALA A 84 -11.488 10.804 6.142 1.00 1.12 H new ATOM 0 HB3 ALA A 84 -10.318 12.099 5.794 1.00 1.12 H new ATOM 875 N SER A 85 -10.037 12.909 2.798 1.00 0.76 N ATOM 876 CA SER A 85 -9.805 13.990 1.845 1.00 0.84 C ATOM 877 C SER A 85 -10.509 13.669 0.531 1.00 0.94 C ATOM 878 O SER A 85 -10.874 14.564 -0.230 1.00 1.22 O ATOM 879 CB SER A 85 -8.310 14.211 1.612 1.00 1.19 C ATOM 880 OG SER A 85 -7.664 14.592 2.813 1.00 1.88 O ATOM 0 H SER A 85 -9.202 12.390 3.068 1.00 0.76 H new ATOM 0 HA SER A 85 -10.213 14.912 2.258 1.00 0.84 H new ATOM 0 HB2 SER A 85 -7.859 13.297 1.225 1.00 1.19 H new ATOM 0 HB3 SER A 85 -8.166 14.983 0.856 1.00 1.19 H new ATOM 0 HG SER A 85 -7.643 13.830 3.429 1.00 1.88 H new ATOM 886 N GLY A 86 -10.708 12.381 0.284 1.00 0.96 N ATOM 887 CA GLY A 86 -11.446 11.949 -0.882 1.00 1.46 C ATOM 888 C GLY A 86 -10.625 12.026 -2.145 1.00 1.21 C ATOM 889 O GLY A 86 -11.176 12.103 -3.243 1.00 1.66 O ATOM 0 H GLY A 86 -10.368 11.624 0.877 1.00 0.96 H new ATOM 0 HA2 GLY A 86 -11.785 10.924 -0.734 1.00 1.46 H new ATOM 0 HA3 GLY A 86 -12.337 12.566 -0.993 1.00 1.46 H new ATOM 893 N ASN A 87 -9.308 12.007 -2.004 1.00 0.66 N ATOM 894 CA ASN A 87 -8.428 12.073 -3.169 1.00 0.67 C ATOM 895 C ASN A 87 -7.000 11.686 -2.815 1.00 0.52 C ATOM 896 O ASN A 87 -6.043 12.361 -3.188 1.00 0.72 O ATOM 897 CB ASN A 87 -8.482 13.471 -3.825 1.00 0.95 C ATOM 898 CG ASN A 87 -7.950 14.600 -2.947 1.00 1.40 C ATOM 899 OD1 ASN A 87 -6.767 14.930 -2.989 1.00 2.08 O ATOM 900 ND2 ASN A 87 -8.825 15.226 -2.178 1.00 1.72 N ATOM 0 H ASN A 87 -8.826 11.947 -1.107 1.00 0.66 H new ATOM 0 HA ASN A 87 -8.790 11.346 -3.896 1.00 0.67 H new ATOM 0 HB2 ASN A 87 -7.908 13.447 -4.752 1.00 0.95 H new ATOM 0 HB3 ASN A 87 -9.515 13.693 -4.095 1.00 0.95 H new ATOM 0 HD21 ASN A 87 -8.525 16.008 -1.596 1.00 1.72 H new ATOM 0 HD22 ASN A 87 -9.800 14.927 -2.167 1.00 1.72 H new ATOM 907 N LEU A 88 -6.871 10.566 -2.122 1.00 0.40 N ATOM 908 CA LEU A 88 -5.576 10.054 -1.704 1.00 0.32 C ATOM 909 C LEU A 88 -4.651 9.808 -2.888 1.00 0.30 C ATOM 910 O LEU A 88 -4.701 8.756 -3.516 1.00 0.34 O ATOM 911 CB LEU A 88 -5.755 8.753 -0.942 1.00 0.37 C ATOM 912 CG LEU A 88 -4.738 8.538 0.156 1.00 0.42 C ATOM 913 CD1 LEU A 88 -5.097 7.317 0.982 1.00 0.56 C ATOM 914 CD2 LEU A 88 -3.323 8.410 -0.388 1.00 0.48 C ATOM 0 H LEU A 88 -7.660 9.987 -1.834 1.00 0.40 H new ATOM 0 HA LEU A 88 -5.121 10.810 -1.065 1.00 0.32 H new ATOM 0 HB2 LEU A 88 -6.754 8.734 -0.507 1.00 0.37 H new ATOM 0 HB3 LEU A 88 -5.697 7.922 -1.644 1.00 0.37 H new ATOM 0 HG LEU A 88 -4.763 9.421 0.794 1.00 0.42 H new ATOM 0 HD11 LEU A 88 -4.354 7.178 1.767 1.00 0.56 H new ATOM 0 HD12 LEU A 88 -6.079 7.459 1.433 1.00 0.56 H new ATOM 0 HD13 LEU A 88 -5.116 6.436 0.340 1.00 0.56 H new ATOM 0 HD21 LEU A 88 -2.628 8.257 0.438 1.00 0.48 H new ATOM 0 HD22 LEU A 88 -3.270 7.560 -1.069 1.00 0.48 H new ATOM 0 HD23 LEU A 88 -3.055 9.321 -0.923 1.00 0.48 H new ATOM 926 N ASN A 89 -3.831 10.787 -3.209 1.00 0.32 N ATOM 927 CA ASN A 89 -2.806 10.603 -4.211 1.00 0.34 C ATOM 928 C ASN A 89 -1.567 11.424 -3.823 1.00 0.40 C ATOM 929 O ASN A 89 -1.542 12.647 -3.955 1.00 0.50 O ATOM 930 CB ASN A 89 -3.382 10.941 -5.607 1.00 0.41 C ATOM 931 CG ASN A 89 -3.414 12.423 -5.950 1.00 1.12 C ATOM 932 OD1 ASN A 89 -2.513 12.941 -6.615 1.00 2.01 O ATOM 933 ND2 ASN A 89 -4.446 13.117 -5.501 1.00 1.62 N ATOM 0 H ASN A 89 -3.855 11.717 -2.790 1.00 0.32 H new ATOM 0 HA ASN A 89 -2.481 9.564 -4.263 1.00 0.34 H new ATOM 0 HB2 ASN A 89 -2.792 10.422 -6.362 1.00 0.41 H new ATOM 0 HB3 ASN A 89 -4.397 10.547 -5.669 1.00 0.41 H new ATOM 0 HD21 ASN A 89 -4.516 14.115 -5.702 1.00 1.62 H new ATOM 0 HD22 ASN A 89 -5.172 12.655 -4.954 1.00 1.62 H new ATOM 940 N THR A 90 -0.554 10.760 -3.252 1.00 0.39 N ATOM 941 CA THR A 90 0.620 11.463 -2.756 1.00 0.50 C ATOM 942 C THR A 90 1.851 10.572 -2.867 1.00 0.55 C ATOM 943 O THR A 90 1.730 9.349 -2.932 1.00 0.69 O ATOM 944 CB THR A 90 0.466 11.831 -1.482 1.00 0.68 C ATOM 945 OG1 THR A 90 -0.864 12.327 -1.258 1.00 1.67 O ATOM 946 CG2 THR A 90 1.460 12.910 -1.080 1.00 1.22 C ATOM 0 H THR A 90 -0.529 9.748 -3.126 1.00 0.39 H new ATOM 0 HA THR A 90 0.749 12.357 -3.366 1.00 0.50 H new ATOM 0 HB THR A 90 0.644 10.944 -0.874 1.00 0.68 H new ATOM 0 HG1 THR A 90 -0.961 12.591 -0.319 1.00 1.67 H new ATOM 0 HG21 THR A 90 1.301 13.181 -0.036 1.00 1.22 H new ATOM 0 HG22 THR A 90 2.475 12.535 -1.207 1.00 1.22 H new ATOM 0 HG23 THR A 90 1.317 13.789 -1.709 1.00 1.22 H new ATOM 954 N MET A 91 3.019 11.188 -2.969 1.00 0.72 N ATOM 955 CA MET A 91 4.272 10.454 -2.930 1.00 1.00 C ATOM 956 C MET A 91 5.004 10.730 -1.623 1.00 0.88 C ATOM 957 O MET A 91 5.260 11.882 -1.269 1.00 0.92 O ATOM 958 CB MET A 91 5.174 10.810 -4.121 1.00 1.53 C ATOM 959 CG MET A 91 5.589 12.271 -4.170 1.00 2.33 C ATOM 960 SD MET A 91 6.813 12.603 -5.452 1.00 3.24 S ATOM 961 CE MET A 91 7.017 14.373 -5.270 1.00 3.94 C ATOM 0 H MET A 91 3.124 12.197 -3.080 1.00 0.72 H new ATOM 0 HA MET A 91 4.035 9.392 -2.994 1.00 1.00 H new ATOM 0 HB2 MET A 91 6.070 10.190 -4.083 1.00 1.53 H new ATOM 0 HB3 MET A 91 4.653 10.560 -5.045 1.00 1.53 H new ATOM 0 HG2 MET A 91 4.708 12.889 -4.345 1.00 2.33 H new ATOM 0 HG3 MET A 91 5.995 12.562 -3.201 1.00 2.33 H new ATOM 0 HE1 MET A 91 7.746 14.732 -5.996 1.00 3.94 H new ATOM 0 HE2 MET A 91 6.061 14.869 -5.440 1.00 3.94 H new ATOM 0 HE3 MET A 91 7.368 14.597 -4.263 1.00 3.94 H new ATOM 971 N PHE A 92 5.314 9.677 -0.895 1.00 0.98 N ATOM 972 CA PHE A 92 6.105 9.795 0.318 1.00 1.01 C ATOM 973 C PHE A 92 7.338 8.916 0.193 1.00 0.90 C ATOM 974 O PHE A 92 7.233 7.692 0.127 1.00 0.85 O ATOM 975 CB PHE A 92 5.277 9.397 1.543 1.00 1.24 C ATOM 976 CG PHE A 92 5.894 9.807 2.848 1.00 1.49 C ATOM 977 CD1 PHE A 92 5.782 11.112 3.299 1.00 1.94 C ATOM 978 CD2 PHE A 92 6.579 8.892 3.626 1.00 1.58 C ATOM 979 CE1 PHE A 92 6.344 11.496 4.501 1.00 2.47 C ATOM 980 CE2 PHE A 92 7.144 9.268 4.827 1.00 2.01 C ATOM 981 CZ PHE A 92 7.027 10.573 5.265 1.00 2.46 C ATOM 0 H PHE A 92 5.030 8.724 -1.122 1.00 0.98 H new ATOM 0 HA PHE A 92 6.414 10.832 0.450 1.00 1.01 H new ATOM 0 HB2 PHE A 92 4.287 9.846 1.463 1.00 1.24 H new ATOM 0 HB3 PHE A 92 5.138 8.316 1.541 1.00 1.24 H new ATOM 0 HD1 PHE A 92 5.249 11.838 2.703 1.00 1.94 H new ATOM 0 HD2 PHE A 92 6.673 7.870 3.289 1.00 1.58 H new ATOM 0 HE1 PHE A 92 6.249 12.516 4.842 1.00 2.47 H new ATOM 0 HE2 PHE A 92 7.677 8.543 5.424 1.00 2.01 H new ATOM 0 HZ PHE A 92 7.470 10.870 6.204 1.00 2.46 H new ATOM 991 N GLU A 93 8.499 9.541 0.113 1.00 0.98 N ATOM 992 CA GLU A 93 9.738 8.808 -0.092 1.00 0.97 C ATOM 993 C GLU A 93 10.541 8.761 1.200 1.00 1.21 C ATOM 994 O GLU A 93 11.128 9.771 1.616 1.00 1.50 O ATOM 995 CB GLU A 93 10.570 9.470 -1.191 1.00 1.18 C ATOM 996 CG GLU A 93 9.771 9.807 -2.438 1.00 1.33 C ATOM 997 CD GLU A 93 10.613 10.477 -3.498 1.00 1.57 C ATOM 998 OE1 GLU A 93 10.737 9.918 -4.607 1.00 1.97 O ATOM 999 OE2 GLU A 93 11.159 11.563 -3.221 1.00 1.92 O ATOM 0 H GLU A 93 8.611 10.552 0.187 1.00 0.98 H new ATOM 0 HA GLU A 93 9.491 7.791 -0.396 1.00 0.97 H new ATOM 0 HB2 GLU A 93 11.016 10.383 -0.797 1.00 1.18 H new ATOM 0 HB3 GLU A 93 11.391 8.806 -1.464 1.00 1.18 H new ATOM 0 HG2 GLU A 93 9.337 8.894 -2.846 1.00 1.33 H new ATOM 0 HG3 GLU A 93 8.942 10.461 -2.169 1.00 1.33 H new ATOM 1006 N TYR A 94 10.572 7.602 1.838 1.00 1.23 N ATOM 1007 CA TYR A 94 11.267 7.473 3.102 1.00 1.60 C ATOM 1008 C TYR A 94 12.248 6.315 3.070 1.00 1.67 C ATOM 1009 O TYR A 94 11.931 5.216 2.607 1.00 1.62 O ATOM 1010 CB TYR A 94 10.271 7.318 4.262 1.00 1.88 C ATOM 1011 CG TYR A 94 9.384 6.089 4.190 1.00 2.23 C ATOM 1012 CD1 TYR A 94 9.623 4.986 5.002 1.00 2.63 C ATOM 1013 CD2 TYR A 94 8.300 6.037 3.321 1.00 2.62 C ATOM 1014 CE1 TYR A 94 8.812 3.869 4.948 1.00 3.18 C ATOM 1015 CE2 TYR A 94 7.485 4.923 3.260 1.00 3.33 C ATOM 1016 CZ TYR A 94 7.743 3.843 4.077 1.00 3.51 C ATOM 1017 OH TYR A 94 6.934 2.729 4.020 1.00 4.29 O ATOM 0 H TYR A 94 10.128 6.747 1.503 1.00 1.23 H new ATOM 0 HA TYR A 94 11.836 8.388 3.266 1.00 1.60 H new ATOM 0 HB2 TYR A 94 10.829 7.290 5.198 1.00 1.88 H new ATOM 0 HB3 TYR A 94 9.636 8.203 4.296 1.00 1.88 H new ATOM 0 HD1 TYR A 94 10.458 5.003 5.687 1.00 2.63 H new ATOM 0 HD2 TYR A 94 8.091 6.882 2.682 1.00 2.62 H new ATOM 0 HE1 TYR A 94 9.014 3.020 5.585 1.00 3.18 H new ATOM 0 HE2 TYR A 94 6.650 4.898 2.576 1.00 3.33 H new ATOM 0 HH TYR A 94 6.227 2.872 3.357 1.00 4.29 H new ATOM 1170 N LYS A 104 15.678 2.892 0.023 1.00 1.52 N ATOM 1171 CA LYS A 104 14.749 4.006 0.026 1.00 1.37 C ATOM 1172 C LYS A 104 13.515 3.642 -0.769 1.00 1.18 C ATOM 1173 O LYS A 104 13.610 3.341 -1.963 1.00 1.26 O ATOM 1174 CB LYS A 104 15.374 5.264 -0.581 1.00 1.53 C ATOM 1175 CG LYS A 104 14.426 6.459 -0.576 1.00 1.64 C ATOM 1176 CD LYS A 104 14.944 7.630 -1.401 1.00 2.24 C ATOM 1177 CE LYS A 104 16.096 8.368 -0.725 1.00 2.60 C ATOM 1178 NZ LYS A 104 17.360 7.585 -0.731 1.00 3.12 N ATOM 0 HA LYS A 104 14.488 4.215 1.063 1.00 1.37 H new ATOM 0 HB2 LYS A 104 16.276 5.520 -0.025 1.00 1.53 H new ATOM 0 HB3 LYS A 104 15.680 5.053 -1.606 1.00 1.53 H new ATOM 0 HG2 LYS A 104 13.456 6.148 -0.964 1.00 1.64 H new ATOM 0 HG3 LYS A 104 14.268 6.787 0.451 1.00 1.64 H new ATOM 0 HD2 LYS A 104 15.274 7.265 -2.374 1.00 2.24 H new ATOM 0 HD3 LYS A 104 14.128 8.329 -1.583 1.00 2.24 H new ATOM 0 HE2 LYS A 104 16.260 9.319 -1.231 1.00 2.60 H new ATOM 0 HE3 LYS A 104 15.821 8.598 0.304 1.00 2.60 H new ATOM 0 HZ1 LYS A 104 18.159 8.217 -0.940 1.00 3.12 H new ATOM 0 HZ2 LYS A 104 17.500 7.145 0.201 1.00 3.12 H new ATOM 0 HZ3 LYS A 104 17.306 6.844 -1.459 1.00 3.12 H new ATOM 1192 N VAL A 105 12.363 3.652 -0.117 1.00 1.04 N ATOM 1193 CA VAL A 105 11.128 3.418 -0.818 1.00 0.90 C ATOM 1194 C VAL A 105 10.401 4.721 -1.080 1.00 0.72 C ATOM 1195 O VAL A 105 10.649 5.736 -0.431 1.00 0.75 O ATOM 1196 CB VAL A 105 10.317 2.582 -0.188 1.00 1.00 C ATOM 1197 CG1 VAL A 105 10.922 1.185 -0.132 1.00 1.23 C ATOM 1198 CG2 VAL A 105 9.968 3.072 1.212 1.00 1.11 C ATOM 0 H VAL A 105 12.266 3.818 0.885 1.00 1.04 H new ATOM 0 HA VAL A 105 11.408 2.950 -1.762 1.00 0.90 H new ATOM 0 HB VAL A 105 9.389 2.539 -0.758 1.00 1.00 H new ATOM 0 HG11 VAL A 105 10.240 0.514 0.390 1.00 1.23 H new ATOM 0 HG12 VAL A 105 11.087 0.819 -1.145 1.00 1.23 H new ATOM 0 HG13 VAL A 105 11.873 1.221 0.400 1.00 1.23 H new ATOM 0 HG21 VAL A 105 9.301 2.356 1.692 1.00 1.11 H new ATOM 0 HG22 VAL A 105 10.880 3.170 1.801 1.00 1.11 H new ATOM 0 HG23 VAL A 105 9.473 4.041 1.146 1.00 1.11 H new ATOM 1208 N LYS A 106 9.544 4.695 -2.071 1.00 0.64 N ATOM 1209 CA LYS A 106 8.722 5.841 -2.393 1.00 0.59 C ATOM 1210 C LYS A 106 7.296 5.383 -2.616 1.00 0.53 C ATOM 1211 O LYS A 106 7.024 4.572 -3.501 1.00 0.68 O ATOM 1212 CB LYS A 106 9.271 6.592 -3.619 1.00 0.79 C ATOM 1213 CG LYS A 106 9.492 5.720 -4.844 1.00 1.39 C ATOM 1214 CD LYS A 106 10.154 6.480 -5.992 1.00 1.61 C ATOM 1215 CE LYS A 106 9.191 7.418 -6.714 1.00 2.08 C ATOM 1216 NZ LYS A 106 8.859 8.631 -5.919 1.00 2.36 N ATOM 0 H LYS A 106 9.395 3.886 -2.675 1.00 0.64 H new ATOM 0 HA LYS A 106 8.741 6.542 -1.559 1.00 0.59 H new ATOM 0 HB2 LYS A 106 8.579 7.393 -3.879 1.00 0.79 H new ATOM 0 HB3 LYS A 106 10.216 7.063 -3.348 1.00 0.79 H new ATOM 0 HG2 LYS A 106 10.113 4.867 -4.571 1.00 1.39 H new ATOM 0 HG3 LYS A 106 8.534 5.322 -5.180 1.00 1.39 H new ATOM 0 HD2 LYS A 106 10.993 7.057 -5.603 1.00 1.61 H new ATOM 0 HD3 LYS A 106 10.562 5.766 -6.707 1.00 1.61 H new ATOM 0 HE2 LYS A 106 9.631 7.722 -7.664 1.00 2.08 H new ATOM 0 HE3 LYS A 106 8.272 6.879 -6.946 1.00 2.08 H new ATOM 0 HZ1 LYS A 106 8.860 9.465 -6.541 1.00 2.36 H new ATOM 0 HZ2 LYS A 106 7.918 8.519 -5.491 1.00 2.36 H new ATOM 0 HZ3 LYS A 106 9.567 8.759 -5.168 1.00 2.36 H new ATOM 1230 N VAL A 107 6.397 5.871 -1.779 1.00 0.47 N ATOM 1231 CA VAL A 107 4.998 5.486 -1.859 1.00 0.49 C ATOM 1232 C VAL A 107 4.236 6.490 -2.675 1.00 0.45 C ATOM 1233 O VAL A 107 3.961 7.588 -2.198 1.00 0.74 O ATOM 1234 CB VAL A 107 4.401 5.441 -0.676 1.00 0.60 C ATOM 1235 CG1 VAL A 107 3.188 4.526 -0.739 1.00 0.99 C ATOM 1236 CG2 VAL A 107 5.340 5.009 0.441 1.00 1.11 C ATOM 0 H VAL A 107 6.611 6.535 -1.035 1.00 0.47 H new ATOM 0 HA VAL A 107 4.993 4.492 -2.305 1.00 0.49 H new ATOM 0 HB VAL A 107 4.080 6.455 -0.438 1.00 0.60 H new ATOM 0 HG11 VAL A 107 2.704 4.495 0.237 1.00 0.99 H new ATOM 0 HG12 VAL A 107 2.485 4.905 -1.481 1.00 0.99 H new ATOM 0 HG13 VAL A 107 3.504 3.521 -1.019 1.00 0.99 H new ATOM 0 HG21 VAL A 107 4.797 4.990 1.386 1.00 1.11 H new ATOM 0 HG22 VAL A 107 5.728 4.013 0.226 1.00 1.11 H new ATOM 0 HG23 VAL A 107 6.169 5.714 0.513 1.00 1.11 H new ATOM 1246 N HIS A 108 3.884 6.142 -3.888 1.00 0.30 N ATOM 1247 CA HIS A 108 2.959 6.970 -4.608 1.00 0.31 C ATOM 1248 C HIS A 108 1.608 6.303 -4.532 1.00 0.28 C ATOM 1249 O HIS A 108 1.344 5.328 -5.222 1.00 0.31 O ATOM 1250 CB HIS A 108 3.394 7.173 -6.063 1.00 0.43 C ATOM 1251 CG HIS A 108 2.523 8.129 -6.831 1.00 0.56 C ATOM 1252 ND1 HIS A 108 2.446 8.137 -8.206 1.00 0.94 N ATOM 1253 CD2 HIS A 108 1.696 9.116 -6.408 1.00 0.71 C ATOM 1254 CE1 HIS A 108 1.615 9.086 -8.593 1.00 1.01 C ATOM 1255 NE2 HIS A 108 1.145 9.694 -7.523 1.00 0.80 N ATOM 0 H HIS A 108 4.215 5.314 -4.384 1.00 0.30 H new ATOM 0 HA HIS A 108 2.922 7.964 -4.162 1.00 0.31 H new ATOM 0 HB2 HIS A 108 4.420 7.540 -6.077 1.00 0.43 H new ATOM 0 HB3 HIS A 108 3.393 6.208 -6.570 1.00 0.43 H new ATOM 0 HD2 HIS A 108 1.506 9.396 -5.382 1.00 0.71 H new ATOM 0 HE1 HIS A 108 1.362 9.324 -9.616 1.00 1.01 H new ATOM 0 HE2 HIS A 108 0.480 10.468 -7.524 1.00 0.80 H new ATOM 1264 N MET A 109 0.763 6.824 -3.676 1.00 0.31 N ATOM 1265 CA MET A 109 -0.578 6.306 -3.550 1.00 0.33 C ATOM 1266 C MET A 109 -1.463 7.075 -4.483 1.00 0.37 C ATOM 1267 O MET A 109 -1.227 8.257 -4.714 1.00 0.55 O ATOM 1268 CB MET A 109 -1.089 6.406 -2.114 1.00 0.43 C ATOM 1269 CG MET A 109 -0.322 5.541 -1.130 1.00 0.77 C ATOM 1270 SD MET A 109 -1.170 5.375 0.451 1.00 1.28 S ATOM 1271 CE MET A 109 -2.650 4.509 -0.066 1.00 2.22 C ATOM 0 H MET A 109 0.979 7.605 -3.057 1.00 0.31 H new ATOM 0 HA MET A 109 -0.583 5.247 -3.810 1.00 0.33 H new ATOM 0 HB2 MET A 109 -1.034 7.445 -1.790 1.00 0.43 H new ATOM 0 HB3 MET A 109 -2.141 6.121 -2.092 1.00 0.43 H new ATOM 0 HG2 MET A 109 -0.170 4.552 -1.562 1.00 0.77 H new ATOM 0 HG3 MET A 109 0.665 5.972 -0.965 1.00 0.77 H new ATOM 0 HE1 MET A 109 -2.895 3.739 0.666 1.00 2.22 H new ATOM 0 HE2 MET A 109 -3.477 5.215 -0.141 1.00 2.22 H new ATOM 0 HE3 MET A 109 -2.480 4.045 -1.038 1.00 2.22 H new ATOM 1281 N LYS A 110 -2.449 6.422 -5.048 1.00 0.27 N ATOM 1282 CA LYS A 110 -3.291 7.086 -6.005 1.00 0.30 C ATOM 1283 C LYS A 110 -4.681 6.513 -5.930 1.00 0.24 C ATOM 1284 O LYS A 110 -4.876 5.324 -6.154 1.00 0.24 O ATOM 1285 CB LYS A 110 -2.716 6.922 -7.412 1.00 0.43 C ATOM 1286 CG LYS A 110 -3.204 7.974 -8.388 1.00 0.64 C ATOM 1287 CD LYS A 110 -2.564 7.811 -9.754 1.00 0.78 C ATOM 1288 CE LYS A 110 -2.819 9.023 -10.634 1.00 1.38 C ATOM 1289 NZ LYS A 110 -4.267 9.333 -10.771 1.00 1.73 N ATOM 0 H LYS A 110 -2.684 5.447 -4.864 1.00 0.27 H new ATOM 0 HA LYS A 110 -3.334 8.151 -5.776 1.00 0.30 H new ATOM 0 HB2 LYS A 110 -1.628 6.963 -7.359 1.00 0.43 H new ATOM 0 HB3 LYS A 110 -2.980 5.935 -7.791 1.00 0.43 H new ATOM 0 HG2 LYS A 110 -4.288 7.907 -8.483 1.00 0.64 H new ATOM 0 HG3 LYS A 110 -2.979 8.966 -7.997 1.00 0.64 H new ATOM 0 HD2 LYS A 110 -1.490 7.662 -9.639 1.00 0.78 H new ATOM 0 HD3 LYS A 110 -2.959 6.918 -10.238 1.00 0.78 H new ATOM 0 HE2 LYS A 110 -2.304 9.887 -10.215 1.00 1.38 H new ATOM 0 HE3 LYS A 110 -2.393 8.847 -11.622 1.00 1.38 H new ATOM 0 HZ1 LYS A 110 -4.399 10.055 -11.508 1.00 1.73 H new ATOM 0 HZ2 LYS A 110 -4.783 8.470 -11.035 1.00 1.73 H new ATOM 0 HZ3 LYS A 110 -4.632 9.692 -9.866 1.00 1.73 H new ATOM 1303 N LYS A 111 -5.638 7.355 -5.608 1.00 0.23 N ATOM 1304 CA LYS A 111 -7.003 6.945 -5.504 1.00 0.22 C ATOM 1305 C LYS A 111 -7.475 6.284 -6.792 1.00 0.22 C ATOM 1306 O LYS A 111 -7.386 6.858 -7.881 1.00 0.29 O ATOM 1307 CB LYS A 111 -7.810 8.185 -5.211 1.00 0.28 C ATOM 1308 CG LYS A 111 -9.298 7.961 -5.116 1.00 0.35 C ATOM 1309 CD LYS A 111 -10.036 9.276 -5.160 1.00 0.53 C ATOM 1310 CE LYS A 111 -11.469 9.098 -4.692 1.00 0.91 C ATOM 1311 NZ LYS A 111 -12.289 10.311 -4.908 1.00 1.78 N ATOM 0 H LYS A 111 -5.481 8.344 -5.412 1.00 0.23 H new ATOM 0 HA LYS A 111 -7.124 6.206 -4.711 1.00 0.22 H new ATOM 0 HB2 LYS A 111 -7.461 8.616 -4.273 1.00 0.28 H new ATOM 0 HB3 LYS A 111 -7.616 8.921 -5.991 1.00 0.28 H new ATOM 0 HG2 LYS A 111 -9.629 7.324 -5.937 1.00 0.35 H new ATOM 0 HG3 LYS A 111 -9.534 7.436 -4.190 1.00 0.35 H new ATOM 0 HD2 LYS A 111 -9.529 10.005 -4.528 1.00 0.53 H new ATOM 0 HD3 LYS A 111 -10.025 9.672 -6.176 1.00 0.53 H new ATOM 0 HE2 LYS A 111 -11.920 8.259 -5.222 1.00 0.91 H new ATOM 0 HE3 LYS A 111 -11.473 8.844 -3.632 1.00 0.91 H new ATOM 0 HZ1 LYS A 111 -13.291 10.044 -4.985 1.00 1.78 H new ATOM 0 HZ2 LYS A 111 -12.165 10.961 -4.106 1.00 1.78 H new ATOM 0 HZ3 LYS A 111 -11.988 10.782 -5.785 1.00 1.78 H new ATOM 1325 N ALA A 112 -7.941 5.055 -6.645 1.00 0.22 N ATOM 1326 CA ALA A 112 -8.344 4.241 -7.770 1.00 0.26 C ATOM 1327 C ALA A 112 -9.611 4.799 -8.403 1.00 0.38 C ATOM 1328 O ALA A 112 -10.478 5.331 -7.708 1.00 0.45 O ATOM 1329 CB ALA A 112 -8.569 2.803 -7.329 1.00 0.33 C ATOM 0 H ALA A 112 -8.049 4.597 -5.740 1.00 0.22 H new ATOM 0 HA ALA A 112 -7.546 4.259 -8.512 1.00 0.26 H new ATOM 0 HB1 ALA A 112 -8.872 2.203 -8.187 1.00 0.33 H new ATOM 0 HB2 ALA A 112 -7.645 2.401 -6.913 1.00 0.33 H new ATOM 0 HB3 ALA A 112 -9.352 2.773 -6.571 1.00 0.33 H new ATOM 1335 N LEU A 113 -9.729 4.667 -9.715 1.00 0.47 N ATOM 1336 CA LEU A 113 -10.913 5.143 -10.422 1.00 0.64 C ATOM 1337 C LEU A 113 -12.081 4.178 -10.238 1.00 0.76 C ATOM 1338 O LEU A 113 -13.150 4.361 -10.814 1.00 0.96 O ATOM 1339 CB LEU A 113 -10.613 5.343 -11.911 1.00 0.76 C ATOM 1340 CG LEU A 113 -9.738 6.556 -12.237 1.00 1.55 C ATOM 1341 CD1 LEU A 113 -9.431 6.606 -13.723 1.00 2.27 C ATOM 1342 CD2 LEU A 113 -10.427 7.839 -11.800 1.00 2.39 C ATOM 0 H LEU A 113 -9.023 4.236 -10.312 1.00 0.47 H new ATOM 0 HA LEU A 113 -11.195 6.106 -9.996 1.00 0.64 H new ATOM 0 HB2 LEU A 113 -10.122 4.447 -12.291 1.00 0.76 H new ATOM 0 HB3 LEU A 113 -11.557 5.440 -12.447 1.00 0.76 H new ATOM 0 HG LEU A 113 -8.799 6.460 -11.691 1.00 1.55 H new ATOM 0 HD11 LEU A 113 -8.808 7.475 -13.937 1.00 2.27 H new ATOM 0 HD12 LEU A 113 -8.902 5.699 -14.016 1.00 2.27 H new ATOM 0 HD13 LEU A 113 -10.362 6.680 -14.285 1.00 2.27 H new ATOM 0 HD21 LEU A 113 -9.792 8.692 -12.039 1.00 2.39 H new ATOM 0 HD22 LEU A 113 -11.379 7.937 -12.323 1.00 2.39 H new ATOM 0 HD23 LEU A 113 -10.605 7.809 -10.725 1.00 2.39 H new ATOM 1354 N SER A 114 -11.866 3.154 -9.423 1.00 0.73 N ATOM 1355 CA SER A 114 -12.908 2.201 -9.098 1.00 0.92 C ATOM 1356 C SER A 114 -13.841 2.795 -8.039 1.00 0.93 C ATOM 1357 O SER A 114 -15.055 2.895 -8.249 1.00 1.27 O ATOM 1358 CB SER A 114 -12.282 0.896 -8.603 1.00 1.04 C ATOM 1359 OG SER A 114 -13.258 -0.114 -8.427 1.00 1.66 O ATOM 0 H SER A 114 -10.970 2.965 -8.974 1.00 0.73 H new ATOM 0 HA SER A 114 -13.494 1.984 -9.991 1.00 0.92 H new ATOM 0 HB2 SER A 114 -11.531 0.557 -9.317 1.00 1.04 H new ATOM 0 HB3 SER A 114 -11.767 1.074 -7.659 1.00 1.04 H new ATOM 0 HG SER A 114 -12.826 -0.935 -8.112 1.00 1.66 H new ATOM 1365 N GLY A 115 -13.268 3.205 -6.911 1.00 0.71 N ATOM 1366 CA GLY A 115 -14.047 3.858 -5.877 1.00 0.79 C ATOM 1367 C GLY A 115 -13.752 3.316 -4.495 1.00 0.78 C ATOM 1368 O GLY A 115 -13.822 2.109 -4.266 1.00 1.52 O ATOM 0 H GLY A 115 -12.277 3.096 -6.696 1.00 0.71 H new ATOM 0 HA2 GLY A 115 -13.842 4.928 -5.895 1.00 0.79 H new ATOM 0 HA3 GLY A 115 -15.108 3.733 -6.093 1.00 0.79 H new ATOM 1372 N ASP A 116 -13.416 4.223 -3.578 1.00 0.72 N ATOM 1373 CA ASP A 116 -13.067 3.876 -2.196 1.00 0.85 C ATOM 1374 C ASP A 116 -11.928 2.875 -2.156 1.00 0.80 C ATOM 1375 O ASP A 116 -11.849 2.016 -1.278 1.00 1.40 O ATOM 1376 CB ASP A 116 -14.284 3.366 -1.420 1.00 1.25 C ATOM 1377 CG ASP A 116 -15.160 4.500 -0.930 1.00 2.10 C ATOM 1378 OD1 ASP A 116 -15.970 5.022 -1.729 1.00 2.63 O ATOM 1379 OD2 ASP A 116 -15.053 4.877 0.255 1.00 2.79 O ATOM 0 H ASP A 116 -13.377 5.224 -3.771 1.00 0.72 H new ATOM 0 HA ASP A 116 -12.727 4.787 -1.704 1.00 0.85 H new ATOM 0 HB2 ASP A 116 -14.870 2.705 -2.058 1.00 1.25 H new ATOM 0 HB3 ASP A 116 -13.949 2.773 -0.569 1.00 1.25 H new ATOM 1384 N SER A 117 -11.033 3.041 -3.100 1.00 0.42 N ATOM 1385 CA SER A 117 -9.841 2.236 -3.207 1.00 0.29 C ATOM 1386 C SER A 117 -8.685 3.127 -3.625 1.00 0.22 C ATOM 1387 O SER A 117 -8.888 4.159 -4.270 1.00 0.25 O ATOM 1388 CB SER A 117 -10.045 1.092 -4.191 1.00 0.34 C ATOM 1389 OG SER A 117 -10.783 1.505 -5.332 1.00 0.44 O ATOM 0 H SER A 117 -11.114 3.751 -3.827 1.00 0.42 H new ATOM 0 HA SER A 117 -9.614 1.787 -2.240 1.00 0.29 H new ATOM 0 HB2 SER A 117 -9.076 0.705 -4.505 1.00 0.34 H new ATOM 0 HB3 SER A 117 -10.569 0.275 -3.695 1.00 0.34 H new ATOM 0 HG SER A 117 -11.518 0.876 -5.492 1.00 0.44 H new ATOM 1395 N TYR A 118 -7.487 2.755 -3.229 1.00 0.19 N ATOM 1396 CA TYR A 118 -6.312 3.588 -3.451 1.00 0.19 C ATOM 1397 C TYR A 118 -5.107 2.722 -3.779 1.00 0.20 C ATOM 1398 O TYR A 118 -4.887 1.687 -3.152 1.00 0.25 O ATOM 1399 CB TYR A 118 -6.020 4.442 -2.209 1.00 0.22 C ATOM 1400 CG TYR A 118 -7.234 5.126 -1.651 1.00 0.23 C ATOM 1401 CD1 TYR A 118 -7.935 4.566 -0.604 1.00 0.30 C ATOM 1402 CD2 TYR A 118 -7.658 6.342 -2.156 1.00 0.25 C ATOM 1403 CE1 TYR A 118 -9.037 5.198 -0.065 1.00 0.35 C ATOM 1404 CE2 TYR A 118 -8.761 6.984 -1.630 1.00 0.30 C ATOM 1405 CZ TYR A 118 -9.506 6.366 -0.662 1.00 0.34 C ATOM 1406 OH TYR A 118 -10.534 7.051 -0.038 1.00 0.42 O ATOM 0 H TYR A 118 -7.295 1.876 -2.748 1.00 0.19 H new ATOM 0 HA TYR A 118 -6.512 4.250 -4.294 1.00 0.19 H new ATOM 0 HB2 TYR A 118 -5.583 3.808 -1.437 1.00 0.22 H new ATOM 0 HB3 TYR A 118 -5.274 5.195 -2.463 1.00 0.22 H new ATOM 0 HD1 TYR A 118 -7.616 3.617 -0.199 1.00 0.30 H new ATOM 0 HD2 TYR A 118 -7.118 6.796 -2.974 1.00 0.25 H new ATOM 0 HE1 TYR A 118 -9.529 4.793 0.807 1.00 0.35 H new ATOM 0 HE2 TYR A 118 -9.035 7.968 -1.980 1.00 0.30 H new ATOM 0 HH TYR A 118 -10.762 7.847 -0.562 1.00 0.42 H new ATOM 1416 N TRP A 119 -4.327 3.138 -4.763 1.00 0.20 N ATOM 1417 CA TRP A 119 -3.178 2.378 -5.173 1.00 0.22 C ATOM 1418 C TRP A 119 -1.973 2.727 -4.335 1.00 0.25 C ATOM 1419 O TRP A 119 -1.945 3.743 -3.644 1.00 0.27 O ATOM 1420 CB TRP A 119 -2.844 2.670 -6.626 1.00 0.25 C ATOM 1421 CG TRP A 119 -3.837 2.166 -7.613 1.00 0.26 C ATOM 1422 CD1 TRP A 119 -5.095 2.637 -7.849 1.00 0.27 C ATOM 1423 CD2 TRP A 119 -3.624 1.098 -8.527 1.00 0.30 C ATOM 1424 NE1 TRP A 119 -5.684 1.903 -8.854 1.00 0.32 N ATOM 1425 CE2 TRP A 119 -4.795 0.949 -9.283 1.00 0.33 C ATOM 1426 CE3 TRP A 119 -2.552 0.245 -8.766 1.00 0.34 C ATOM 1427 CZ2 TRP A 119 -4.920 -0.023 -10.272 1.00 0.40 C ATOM 1428 CZ3 TRP A 119 -2.670 -0.711 -9.738 1.00 0.40 C ATOM 1429 CH2 TRP A 119 -3.847 -0.846 -10.485 1.00 0.42 C ATOM 0 H TRP A 119 -4.476 4.000 -5.288 1.00 0.20 H new ATOM 0 HA TRP A 119 -3.421 1.323 -5.045 1.00 0.22 H new ATOM 0 HB2 TRP A 119 -2.745 3.748 -6.751 1.00 0.25 H new ATOM 0 HB3 TRP A 119 -1.872 2.232 -6.855 1.00 0.25 H new ATOM 0 HD1 TRP A 119 -5.559 3.461 -7.327 1.00 0.27 H new ATOM 0 HE1 TRP A 119 -6.626 2.045 -9.220 1.00 0.32 H new ATOM 0 HE3 TRP A 119 -1.641 0.336 -8.194 1.00 0.34 H new ATOM 0 HZ2 TRP A 119 -5.828 -0.124 -10.848 1.00 0.40 H new ATOM 0 HZ3 TRP A 119 -1.840 -1.374 -9.933 1.00 0.40 H new ATOM 0 HH2 TRP A 119 -3.909 -1.613 -11.243 1.00 0.42 H new ATOM 1440 N VAL A 120 -0.986 1.869 -4.427 1.00 0.28 N ATOM 1441 CA VAL A 120 0.297 2.053 -3.779 1.00 0.32 C ATOM 1442 C VAL A 120 1.395 1.721 -4.780 1.00 0.34 C ATOM 1443 O VAL A 120 1.737 0.555 -4.978 1.00 0.43 O ATOM 1444 CB VAL A 120 0.426 1.258 -2.718 1.00 0.38 C ATOM 1445 CG1 VAL A 120 1.777 1.473 -2.042 1.00 0.56 C ATOM 1446 CG2 VAL A 120 -0.700 1.462 -1.715 1.00 0.62 C ATOM 0 H VAL A 120 -1.050 1.005 -4.965 1.00 0.28 H new ATOM 0 HA VAL A 120 0.371 3.087 -3.441 1.00 0.32 H new ATOM 0 HB VAL A 120 0.369 0.231 -3.078 1.00 0.38 H new ATOM 0 HG11 VAL A 120 1.861 0.814 -1.178 1.00 0.56 H new ATOM 0 HG12 VAL A 120 2.577 1.249 -2.748 1.00 0.56 H new ATOM 0 HG13 VAL A 120 1.860 2.510 -1.716 1.00 0.56 H new ATOM 0 HG21 VAL A 120 -0.556 0.794 -0.866 1.00 0.62 H new ATOM 0 HG22 VAL A 120 -0.696 2.496 -1.369 1.00 0.62 H new ATOM 0 HG23 VAL A 120 -1.656 1.242 -2.191 1.00 0.62 H new ATOM 1456 N PHE A 121 1.943 2.740 -5.418 1.00 0.34 N ATOM 1457 CA PHE A 121 3.020 2.531 -6.366 1.00 0.42 C ATOM 1458 C PHE A 121 4.338 2.764 -5.654 1.00 0.40 C ATOM 1459 O PHE A 121 4.736 3.911 -5.427 1.00 0.49 O ATOM 1460 CB PHE A 121 2.917 3.494 -7.550 1.00 0.61 C ATOM 1461 CG PHE A 121 1.576 3.518 -8.233 1.00 0.49 C ATOM 1462 CD1 PHE A 121 0.713 4.587 -8.053 1.00 0.52 C ATOM 1463 CD2 PHE A 121 1.187 2.482 -9.061 1.00 0.98 C ATOM 1464 CE1 PHE A 121 -0.515 4.620 -8.684 1.00 0.96 C ATOM 1465 CE2 PHE A 121 -0.040 2.506 -9.697 1.00 1.49 C ATOM 1466 CZ PHE A 121 -0.893 3.577 -9.509 1.00 1.45 C ATOM 0 H PHE A 121 1.662 3.713 -5.298 1.00 0.34 H new ATOM 0 HA PHE A 121 2.955 1.513 -6.750 1.00 0.42 H new ATOM 0 HB2 PHE A 121 3.149 4.501 -7.202 1.00 0.61 H new ATOM 0 HB3 PHE A 121 3.677 3.227 -8.284 1.00 0.61 H new ATOM 0 HD1 PHE A 121 1.004 5.405 -7.411 1.00 0.52 H new ATOM 0 HD2 PHE A 121 1.850 1.643 -9.213 1.00 0.98 H new ATOM 0 HE1 PHE A 121 -1.179 5.459 -8.533 1.00 0.96 H new ATOM 0 HE2 PHE A 121 -0.332 1.689 -10.340 1.00 1.49 H new ATOM 0 HZ PHE A 121 -1.852 3.599 -10.005 1.00 1.45 H new ATOM 1476 N VAL A 122 5.007 1.691 -5.285 1.00 0.49 N ATOM 1477 CA VAL A 122 6.258 1.806 -4.561 1.00 0.61 C ATOM 1478 C VAL A 122 7.450 1.629 -5.479 1.00 0.73 C ATOM 1479 O VAL A 122 7.323 1.194 -6.620 1.00 0.95 O ATOM 1480 CB VAL A 122 6.351 0.950 -3.550 1.00 0.77 C ATOM 1481 CG1 VAL A 122 5.329 1.284 -2.471 1.00 1.61 C ATOM 1482 CG2 VAL A 122 6.191 -0.494 -4.005 1.00 1.52 C ATOM 0 H VAL A 122 4.708 0.734 -5.473 1.00 0.49 H new ATOM 0 HA VAL A 122 6.265 2.815 -4.148 1.00 0.61 H new ATOM 0 HB VAL A 122 7.353 1.050 -3.133 1.00 0.77 H new ATOM 0 HG11 VAL A 122 5.420 0.572 -1.651 1.00 1.61 H new ATOM 0 HG12 VAL A 122 5.510 2.292 -2.098 1.00 1.61 H new ATOM 0 HG13 VAL A 122 4.325 1.227 -2.891 1.00 1.61 H new ATOM 0 HG21 VAL A 122 6.274 -1.158 -3.145 1.00 1.52 H new ATOM 0 HG22 VAL A 122 5.213 -0.623 -4.469 1.00 1.52 H new ATOM 0 HG23 VAL A 122 6.971 -0.736 -4.727 1.00 1.52 H new ATOM 1492 N LYS A 123 8.588 2.065 -4.989 1.00 0.76 N ATOM 1493 CA LYS A 123 9.859 1.826 -5.644 1.00 0.97 C ATOM 1494 C LYS A 123 10.958 1.820 -4.592 1.00 1.04 C ATOM 1495 O LYS A 123 11.123 2.797 -3.864 1.00 1.02 O ATOM 1496 CB LYS A 123 10.130 2.895 -6.707 1.00 1.11 C ATOM 1497 CG LYS A 123 11.456 2.726 -7.434 1.00 1.66 C ATOM 1498 CD LYS A 123 11.470 1.483 -8.311 1.00 2.03 C ATOM 1499 CE LYS A 123 12.814 1.306 -8.998 1.00 2.74 C ATOM 1500 NZ LYS A 123 12.831 0.115 -9.885 1.00 3.45 N ATOM 0 H LYS A 123 8.661 2.597 -4.122 1.00 0.76 H new ATOM 0 HA LYS A 123 9.834 0.860 -6.149 1.00 0.97 H new ATOM 0 HB2 LYS A 123 9.322 2.878 -7.438 1.00 1.11 H new ATOM 0 HB3 LYS A 123 10.110 3.876 -6.233 1.00 1.11 H new ATOM 0 HG2 LYS A 123 11.647 3.606 -8.049 1.00 1.66 H new ATOM 0 HG3 LYS A 123 12.264 2.665 -6.705 1.00 1.66 H new ATOM 0 HD2 LYS A 123 11.251 0.605 -7.704 1.00 2.03 H new ATOM 0 HD3 LYS A 123 10.683 1.556 -9.061 1.00 2.03 H new ATOM 0 HE2 LYS A 123 13.043 2.197 -9.583 1.00 2.74 H new ATOM 0 HE3 LYS A 123 13.596 1.209 -8.245 1.00 2.74 H new ATOM 0 HZ1 LYS A 123 13.765 0.030 -10.334 1.00 3.45 H new ATOM 0 HZ2 LYS A 123 12.638 -0.739 -9.323 1.00 3.45 H new ATOM 0 HZ3 LYS A 123 12.102 0.219 -10.619 1.00 3.45 H new