USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 414 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 114 SER OG : rot 180:sc= 0.114 USER MOD Set 1.2: A 117 SER OG : rot 180:sc= -1.65! USER MOD Set 2.1: A 89 ASN : amide:sc= -0.0123 X(o=-0.61,f=-0.99) USER MOD Set 2.2: A 108 HIS : no HD1:sc= -0.598 K(o=-0.61,f=0.048) USER MOD Set 3.1: A 85 SER OG : rot 168:sc= 0.358 USER MOD Set 3.2: A 87 ASN : amide:sc= -1.12! K(o=-0.76!,f=1.3) USER MOD Set 4.1: A 41 GLN : amide:sc= -0.438 K(o=0.49,f=-0.31!) USER MOD Set 4.2: A 43 ASN : amide:sc= 0.929 K(o=0.49,f=-0.31) USER MOD Single : A 32 GLN : amide:sc= -1.71 K(o=-1.7,f=-6.1!) USER MOD Single : A 38 ASN : amide:sc= -0.0482 X(o=-0.048,f=-0.031) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 176:sc= 0.555 (180deg=0.524) USER MOD Single : A 80 LYS NZ :NH3+ -170:sc= -0.012 (180deg=-0.145) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.0963 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+ -119:sc= 0.958 (180deg=0.629) USER MOD Single : A 106 LYS NZ :NH3+ 160:sc= -0.0553 (180deg=-0.313) USER MOD Single : A 109 MET CE :methyl -111:sc= -2.62 (180deg=-8.37!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -153:sc= 0.692 (180deg=0.305) USER MOD Single : A 118 TYR OH : rot 180:sc= -0.133 USER MOD Single : A 123 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0447) USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 29 6.910 -2.195 -6.795 1.00 1.43 N ATOM 51 CA GLY A 29 6.021 -2.210 -5.652 1.00 0.99 C ATOM 52 C GLY A 29 4.635 -1.739 -6.011 1.00 0.78 C ATOM 53 O GLY A 29 4.122 -0.805 -5.409 1.00 1.00 O ATOM 0 HA2 GLY A 29 5.967 -3.221 -5.247 1.00 0.99 H new ATOM 0 HA3 GLY A 29 6.429 -1.573 -4.867 1.00 0.99 H new ATOM 57 N ALA A 30 4.023 -2.370 -6.993 1.00 0.70 N ATOM 58 CA ALA A 30 2.723 -1.930 -7.465 1.00 0.54 C ATOM 59 C ALA A 30 1.606 -2.825 -6.939 1.00 0.49 C ATOM 60 O ALA A 30 1.391 -3.934 -7.437 1.00 0.60 O ATOM 61 CB ALA A 30 2.702 -1.896 -8.985 1.00 0.68 C ATOM 0 H ALA A 30 4.401 -3.184 -7.478 1.00 0.70 H new ATOM 0 HA ALA A 30 2.550 -0.924 -7.083 1.00 0.54 H new ATOM 0 HB1 ALA A 30 1.722 -1.565 -9.328 1.00 0.68 H new ATOM 0 HB2 ALA A 30 3.465 -1.205 -9.344 1.00 0.68 H new ATOM 0 HB3 ALA A 30 2.904 -2.894 -9.374 1.00 0.68 H new ATOM 67 N ILE A 31 0.903 -2.341 -5.933 1.00 0.40 N ATOM 68 CA ILE A 31 -0.221 -3.059 -5.357 1.00 0.39 C ATOM 69 C ILE A 31 -1.367 -2.098 -5.087 1.00 0.35 C ATOM 70 O ILE A 31 -1.147 -0.933 -4.781 1.00 0.36 O ATOM 71 CB ILE A 31 0.125 -3.720 -4.257 1.00 0.46 C ATOM 72 CG1 ILE A 31 -1.048 -4.474 -3.642 1.00 0.48 C ATOM 73 CG2 ILE A 31 0.791 -2.799 -3.236 1.00 0.52 C ATOM 74 CD1 ILE A 31 -0.717 -5.147 -2.323 1.00 0.90 C ATOM 0 H ILE A 31 1.093 -1.441 -5.492 1.00 0.40 H new ATOM 0 HA ILE A 31 -0.553 -3.805 -6.079 1.00 0.39 H new ATOM 0 HB ILE A 31 0.859 -4.468 -4.559 1.00 0.46 H new ATOM 0 HG12 ILE A 31 -1.874 -3.780 -3.488 1.00 0.48 H new ATOM 0 HG13 ILE A 31 -1.393 -5.229 -4.348 1.00 0.48 H new ATOM 0 HG21 ILE A 31 1.061 -3.373 -2.349 1.00 0.52 H new ATOM 0 HG22 ILE A 31 1.689 -2.362 -3.672 1.00 0.52 H new ATOM 0 HG23 ILE A 31 0.099 -2.004 -2.957 1.00 0.52 H new ATOM 0 HD11 ILE A 31 -1.600 -5.663 -1.946 1.00 0.90 H new ATOM 0 HD12 ILE A 31 0.088 -5.867 -2.474 1.00 0.90 H new ATOM 0 HD13 ILE A 31 -0.401 -4.395 -1.600 1.00 0.90 H new ATOM 86 N GLN A 32 -2.581 -2.546 -5.317 1.00 0.38 N ATOM 87 CA GLN A 32 -3.732 -1.684 -5.120 1.00 0.40 C ATOM 88 C GLN A 32 -4.676 -2.272 -4.084 1.00 0.37 C ATOM 89 O GLN A 32 -4.884 -3.490 -4.024 1.00 0.44 O ATOM 90 CB GLN A 32 -4.445 -1.414 -6.454 1.00 0.50 C ATOM 91 CG GLN A 32 -5.449 -2.470 -6.889 1.00 0.55 C ATOM 92 CD GLN A 32 -6.881 -2.054 -6.595 1.00 1.11 C ATOM 93 OE1 GLN A 32 -7.143 -1.309 -5.656 1.00 2.22 O ATOM 94 NE2 GLN A 32 -7.818 -2.537 -7.391 1.00 0.93 N ATOM 0 H GLN A 32 -2.799 -3.490 -5.637 1.00 0.38 H new ATOM 0 HA GLN A 32 -3.384 -0.725 -4.736 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -4.960 -0.456 -6.382 1.00 0.50 H new ATOM 0 HB3 GLN A 32 -3.691 -1.312 -7.234 1.00 0.50 H new ATOM 0 HG2 GLN A 32 -5.338 -2.656 -7.957 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -5.232 -3.408 -6.378 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -7.564 -3.154 -8.162 1.00 0.93 H new ATOM 0 HE22 GLN A 32 -8.796 -2.293 -7.234 1.00 0.93 H new ATOM 103 N LEU A 33 -5.224 -1.401 -3.257 1.00 0.34 N ATOM 104 CA LEU A 33 -6.119 -1.819 -2.193 1.00 0.36 C ATOM 105 C LEU A 33 -7.347 -0.932 -2.131 1.00 0.35 C ATOM 106 O LEU A 33 -7.378 0.157 -2.698 1.00 0.43 O ATOM 107 CB LEU A 33 -5.368 -1.843 -0.853 1.00 0.45 C ATOM 108 CG LEU A 33 -4.610 -0.565 -0.467 1.00 0.46 C ATOM 109 CD1 LEU A 33 -5.550 0.500 0.080 1.00 0.72 C ATOM 110 CD2 LEU A 33 -3.531 -0.884 0.554 1.00 0.71 C ATOM 0 H LEU A 33 -5.064 -0.395 -3.302 1.00 0.34 H new ATOM 0 HA LEU A 33 -6.467 -2.830 -2.406 1.00 0.36 H new ATOM 0 HB2 LEU A 33 -6.086 -2.065 -0.064 1.00 0.45 H new ATOM 0 HB3 LEU A 33 -4.656 -2.668 -0.876 1.00 0.45 H new ATOM 0 HG LEU A 33 -4.146 -0.168 -1.370 1.00 0.46 H new ATOM 0 HD11 LEU A 33 -4.978 1.390 0.343 1.00 0.72 H new ATOM 0 HD12 LEU A 33 -6.291 0.755 -0.678 1.00 0.72 H new ATOM 0 HD13 LEU A 33 -6.055 0.118 0.967 1.00 0.72 H new ATOM 0 HD21 LEU A 33 -3.000 0.030 0.820 1.00 0.71 H new ATOM 0 HD22 LEU A 33 -3.989 -1.310 1.446 1.00 0.71 H new ATOM 0 HD23 LEU A 33 -2.828 -1.601 0.129 1.00 0.71 H new ATOM 122 N ASP A 34 -8.365 -1.416 -1.460 1.00 0.35 N ATOM 123 CA ASP A 34 -9.600 -0.659 -1.315 1.00 0.45 C ATOM 124 C ASP A 34 -9.498 0.328 -0.165 1.00 0.53 C ATOM 125 O ASP A 34 -8.676 0.176 0.740 1.00 0.58 O ATOM 126 CB ASP A 34 -10.823 -1.580 -1.136 1.00 0.55 C ATOM 127 CG ASP A 34 -10.736 -2.504 0.067 1.00 0.65 C ATOM 128 OD1 ASP A 34 -10.282 -2.063 1.137 1.00 0.88 O ATOM 129 OD2 ASP A 34 -11.159 -3.673 -0.048 1.00 1.15 O ATOM 0 H ASP A 34 -8.369 -2.328 -1.004 1.00 0.35 H new ATOM 0 HA ASP A 34 -9.746 -0.100 -2.239 1.00 0.45 H new ATOM 0 HB2 ASP A 34 -11.717 -0.964 -1.043 1.00 0.55 H new ATOM 0 HB3 ASP A 34 -10.944 -2.183 -2.036 1.00 0.55 H new ATOM 134 N GLY A 35 -10.341 1.346 -0.217 1.00 0.67 N ATOM 135 CA GLY A 35 -10.361 2.356 0.823 1.00 0.84 C ATOM 136 C GLY A 35 -10.971 1.840 2.110 1.00 0.85 C ATOM 137 O GLY A 35 -11.102 2.572 3.089 1.00 1.20 O ATOM 0 H GLY A 35 -11.017 1.493 -0.966 1.00 0.67 H new ATOM 0 HA2 GLY A 35 -9.344 2.696 1.016 1.00 0.84 H new ATOM 0 HA3 GLY A 35 -10.926 3.221 0.476 1.00 0.84 H new ATOM 141 N ASP A 36 -11.338 0.571 2.098 1.00 0.69 N ATOM 142 CA ASP A 36 -11.920 -0.083 3.254 1.00 0.83 C ATOM 143 C ASP A 36 -10.804 -0.549 4.177 1.00 0.83 C ATOM 144 O ASP A 36 -10.874 -0.398 5.399 1.00 1.10 O ATOM 145 CB ASP A 36 -12.752 -1.274 2.782 1.00 0.89 C ATOM 146 CG ASP A 36 -13.627 -1.872 3.870 1.00 1.24 C ATOM 147 OD1 ASP A 36 -14.851 -1.610 3.864 1.00 1.81 O ATOM 148 OD2 ASP A 36 -13.107 -2.623 4.723 1.00 1.77 O ATOM 0 H ASP A 36 -11.240 -0.036 1.284 1.00 0.69 H new ATOM 0 HA ASP A 36 -12.563 0.609 3.798 1.00 0.83 H new ATOM 0 HB2 ASP A 36 -13.383 -0.959 1.951 1.00 0.89 H new ATOM 0 HB3 ASP A 36 -12.083 -2.045 2.400 1.00 0.89 H new ATOM 153 N GLY A 37 -9.762 -1.100 3.569 1.00 0.67 N ATOM 154 CA GLY A 37 -8.620 -1.579 4.315 1.00 0.81 C ATOM 155 C GLY A 37 -8.222 -2.988 3.919 1.00 0.78 C ATOM 156 O GLY A 37 -7.686 -3.740 4.733 1.00 1.05 O ATOM 0 H GLY A 37 -9.690 -1.224 2.559 1.00 0.67 H new ATOM 0 HA2 GLY A 37 -7.777 -0.907 4.155 1.00 0.81 H new ATOM 0 HA3 GLY A 37 -8.849 -1.555 5.380 1.00 0.81 H new ATOM 160 N ASN A 38 -8.501 -3.358 2.674 1.00 0.61 N ATOM 161 CA ASN A 38 -8.170 -4.687 2.175 1.00 0.73 C ATOM 162 C ASN A 38 -7.517 -4.587 0.810 1.00 0.57 C ATOM 163 O ASN A 38 -7.786 -3.659 0.051 1.00 0.49 O ATOM 164 CB ASN A 38 -9.424 -5.561 2.068 1.00 0.95 C ATOM 165 CG ASN A 38 -10.269 -5.543 3.324 1.00 1.13 C ATOM 166 OD1 ASN A 38 -10.031 -6.304 4.261 1.00 1.57 O ATOM 167 ND2 ASN A 38 -11.270 -4.676 3.344 1.00 1.38 N ATOM 0 H ASN A 38 -8.957 -2.754 1.990 1.00 0.61 H new ATOM 0 HA ASN A 38 -7.478 -5.145 2.881 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -10.027 -5.219 1.227 1.00 0.95 H new ATOM 0 HB3 ASN A 38 -9.127 -6.587 1.852 1.00 0.95 H new ATOM 0 HD21 ASN A 38 -11.880 -4.620 4.159 1.00 1.38 H new ATOM 0 HD22 ASN A 38 -11.430 -4.064 2.544 1.00 1.38 H new ATOM 174 N ILE A 39 -6.650 -5.535 0.507 1.00 0.65 N ATOM 175 CA ILE A 39 -5.989 -5.578 -0.773 1.00 0.57 C ATOM 176 C ILE A 39 -6.954 -6.057 -1.856 1.00 0.59 C ATOM 177 O ILE A 39 -7.837 -6.875 -1.590 1.00 0.77 O ATOM 178 CB ILE A 39 -4.949 -6.384 -0.694 1.00 0.62 C ATOM 179 CG1 ILE A 39 -4.062 -5.979 0.473 1.00 0.72 C ATOM 180 CG2 ILE A 39 -4.150 -6.398 -1.985 1.00 0.61 C ATOM 181 CD1 ILE A 39 -3.230 -4.735 0.230 1.00 1.18 C ATOM 0 H ILE A 39 -6.389 -6.290 1.141 1.00 0.65 H new ATOM 0 HA ILE A 39 -5.652 -4.577 -1.040 1.00 0.57 H new ATOM 0 HB ILE A 39 -5.322 -7.395 -0.528 1.00 0.62 H new ATOM 0 HG12 ILE A 39 -4.689 -5.816 1.350 1.00 0.72 H new ATOM 0 HG13 ILE A 39 -3.394 -6.807 0.709 1.00 0.72 H new ATOM 0 HG21 ILE A 39 -3.301 -7.074 -1.880 1.00 0.61 H new ATOM 0 HG22 ILE A 39 -4.786 -6.738 -2.803 1.00 0.61 H new ATOM 0 HG23 ILE A 39 -3.789 -5.392 -2.200 1.00 0.61 H new ATOM 0 HD11 ILE A 39 -2.629 -4.521 1.114 1.00 1.18 H new ATOM 0 HD12 ILE A 39 -2.573 -4.898 -0.625 1.00 1.18 H new ATOM 0 HD13 ILE A 39 -3.889 -3.891 0.026 1.00 1.18 H new ATOM 193 N LEU A 40 -6.830 -5.495 -3.049 1.00 0.51 N ATOM 194 CA LEU A 40 -7.688 -5.881 -4.165 1.00 0.61 C ATOM 195 C LEU A 40 -6.886 -6.561 -5.262 1.00 0.60 C ATOM 196 O LEU A 40 -7.244 -7.642 -5.727 1.00 0.72 O ATOM 197 CB LEU A 40 -8.403 -4.664 -4.750 1.00 0.66 C ATOM 198 CG LEU A 40 -9.301 -3.908 -3.781 1.00 1.07 C ATOM 199 CD1 LEU A 40 -9.953 -2.726 -4.476 1.00 1.56 C ATOM 200 CD2 LEU A 40 -10.360 -4.829 -3.197 1.00 1.54 C ATOM 0 H LEU A 40 -6.146 -4.772 -3.271 1.00 0.51 H new ATOM 0 HA LEU A 40 -8.427 -6.581 -3.777 1.00 0.61 H new ATOM 0 HB2 LEU A 40 -7.653 -3.974 -5.138 1.00 0.66 H new ATOM 0 HB3 LEU A 40 -9.005 -4.990 -5.598 1.00 0.66 H new ATOM 0 HG LEU A 40 -8.684 -3.535 -2.964 1.00 1.07 H new ATOM 0 HD11 LEU A 40 -10.592 -2.196 -3.770 1.00 1.56 H new ATOM 0 HD12 LEU A 40 -9.182 -2.050 -4.845 1.00 1.56 H new ATOM 0 HD13 LEU A 40 -10.554 -3.082 -5.312 1.00 1.56 H new ATOM 0 HD21 LEU A 40 -10.990 -4.268 -2.507 1.00 1.54 H new ATOM 0 HD22 LEU A 40 -10.974 -5.234 -4.002 1.00 1.54 H new ATOM 0 HD23 LEU A 40 -9.876 -5.647 -2.663 1.00 1.54 H new ATOM 212 N GLN A 41 -5.803 -5.922 -5.677 1.00 0.50 N ATOM 213 CA GLN A 41 -5.002 -6.425 -6.787 1.00 0.55 C ATOM 214 C GLN A 41 -3.520 -6.187 -6.519 1.00 0.46 C ATOM 215 O GLN A 41 -3.126 -5.117 -6.062 1.00 0.46 O ATOM 216 CB GLN A 41 -5.451 -5.747 -8.091 1.00 0.67 C ATOM 217 CG GLN A 41 -4.921 -6.387 -9.369 1.00 1.08 C ATOM 218 CD GLN A 41 -3.514 -5.947 -9.725 1.00 1.73 C ATOM 219 OE1 GLN A 41 -3.102 -4.828 -9.422 1.00 2.41 O ATOM 220 NE2 GLN A 41 -2.774 -6.824 -10.379 1.00 2.37 N ATOM 0 H GLN A 41 -5.457 -5.056 -5.264 1.00 0.50 H new ATOM 0 HA GLN A 41 -5.151 -7.500 -6.888 1.00 0.55 H new ATOM 0 HB2 GLN A 41 -6.540 -5.749 -8.127 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.135 -4.704 -8.067 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -4.937 -7.471 -9.257 1.00 1.08 H new ATOM 0 HG3 GLN A 41 -5.590 -6.142 -10.194 1.00 1.08 H new ATOM 0 HE21 GLN A 41 -3.155 -7.741 -10.610 1.00 2.37 H new ATOM 0 HE22 GLN A 41 -1.821 -6.584 -10.653 1.00 2.37 H new ATOM 229 N TYR A 42 -2.708 -7.193 -6.798 1.00 0.57 N ATOM 230 CA TYR A 42 -1.275 -7.104 -6.573 1.00 0.58 C ATOM 231 C TYR A 42 -0.518 -7.545 -7.820 1.00 0.65 C ATOM 232 O TYR A 42 -0.861 -8.553 -8.439 1.00 0.79 O ATOM 233 CB TYR A 42 -0.878 -7.963 -5.369 1.00 0.71 C ATOM 234 CG TYR A 42 0.612 -8.028 -5.119 1.00 0.82 C ATOM 235 CD1 TYR A 42 1.302 -9.221 -5.267 1.00 1.09 C ATOM 236 CD2 TYR A 42 1.324 -6.899 -4.738 1.00 0.82 C ATOM 237 CE1 TYR A 42 2.659 -9.291 -5.040 1.00 1.26 C ATOM 238 CE2 TYR A 42 2.685 -6.959 -4.510 1.00 1.02 C ATOM 239 CZ TYR A 42 3.347 -8.159 -4.661 1.00 1.21 C ATOM 240 OH TYR A 42 4.702 -8.229 -4.436 1.00 1.42 O ATOM 0 H TYR A 42 -3.019 -8.085 -7.183 1.00 0.57 H new ATOM 0 HA TYR A 42 -1.013 -6.067 -6.361 1.00 0.58 H new ATOM 0 HB2 TYR A 42 -1.368 -7.569 -4.478 1.00 0.71 H new ATOM 0 HB3 TYR A 42 -1.255 -8.975 -5.519 1.00 0.71 H new ATOM 0 HD1 TYR A 42 0.767 -10.110 -5.565 1.00 1.09 H new ATOM 0 HD2 TYR A 42 0.806 -5.959 -4.618 1.00 0.82 H new ATOM 0 HE1 TYR A 42 3.181 -10.229 -5.159 1.00 1.26 H new ATOM 0 HE2 TYR A 42 3.227 -6.072 -4.216 1.00 1.02 H new ATOM 0 HH TYR A 42 5.037 -7.345 -4.177 1.00 1.42 H new ATOM 250 N ASN A 43 0.506 -6.789 -8.185 1.00 0.63 N ATOM 251 CA ASN A 43 1.283 -7.080 -9.383 1.00 0.75 C ATOM 252 C ASN A 43 2.624 -7.690 -9.009 1.00 0.92 C ATOM 253 O ASN A 43 3.239 -7.291 -8.018 1.00 1.02 O ATOM 254 CB ASN A 43 1.506 -5.803 -10.203 1.00 0.78 C ATOM 255 CG ASN A 43 0.206 -5.133 -10.605 1.00 0.73 C ATOM 256 OD1 ASN A 43 -0.370 -5.442 -11.647 1.00 1.21 O ATOM 257 ND2 ASN A 43 -0.257 -4.199 -9.789 1.00 0.88 N ATOM 0 H ASN A 43 0.820 -5.967 -7.668 1.00 0.63 H new ATOM 0 HA ASN A 43 0.723 -7.794 -9.987 1.00 0.75 H new ATOM 0 HB2 ASN A 43 2.107 -5.103 -9.622 1.00 0.78 H new ATOM 0 HB3 ASN A 43 2.077 -6.046 -11.099 1.00 0.78 H new ATOM 0 HD21 ASN A 43 -1.121 -3.707 -10.015 1.00 0.88 H new ATOM 0 HD22 ASN A 43 0.250 -3.972 -8.934 1.00 0.88 H new ATOM 756 N GLY A 77 1.224 6.534 2.839 1.00 3.20 N ATOM 757 CA GLY A 77 1.542 7.942 2.900 1.00 2.71 C ATOM 758 C GLY A 77 0.369 8.757 3.405 1.00 1.94 C ATOM 759 O GLY A 77 -0.475 9.182 2.615 1.00 2.44 O ATOM 0 HA2 GLY A 77 2.400 8.094 3.555 1.00 2.71 H new ATOM 0 HA3 GLY A 77 1.831 8.294 1.910 1.00 2.71 H new ATOM 763 N LYS A 78 0.316 8.951 4.726 1.00 1.39 N ATOM 764 CA LYS A 78 -0.755 9.710 5.369 1.00 1.29 C ATOM 765 C LYS A 78 -2.111 9.052 5.096 1.00 1.03 C ATOM 766 O LYS A 78 -3.133 9.724 4.986 1.00 1.02 O ATOM 767 CB LYS A 78 -0.742 11.161 4.866 1.00 2.10 C ATOM 768 CG LYS A 78 -1.422 12.148 5.798 1.00 2.61 C ATOM 769 CD LYS A 78 -0.666 12.290 7.110 1.00 3.18 C ATOM 770 CE LYS A 78 -1.332 13.300 8.032 1.00 3.78 C ATOM 771 NZ LYS A 78 -1.423 14.648 7.413 1.00 4.14 N ATOM 0 H LYS A 78 1.013 8.587 5.376 1.00 1.39 H new ATOM 0 HA LYS A 78 -0.591 9.715 6.447 1.00 1.29 H new ATOM 0 HB2 LYS A 78 0.292 11.473 4.716 1.00 2.10 H new ATOM 0 HB3 LYS A 78 -1.231 11.201 3.893 1.00 2.10 H new ATOM 0 HG2 LYS A 78 -1.492 13.120 5.311 1.00 2.61 H new ATOM 0 HG3 LYS A 78 -2.441 11.817 5.998 1.00 2.61 H new ATOM 0 HD2 LYS A 78 -0.614 11.321 7.607 1.00 3.18 H new ATOM 0 HD3 LYS A 78 0.359 12.601 6.908 1.00 3.18 H new ATOM 0 HE2 LYS A 78 -2.332 12.951 8.289 1.00 3.78 H new ATOM 0 HE3 LYS A 78 -0.769 13.366 8.963 1.00 3.78 H new ATOM 0 HZ1 LYS A 78 -1.943 15.287 8.048 1.00 4.14 H new ATOM 0 HZ2 LYS A 78 -0.466 15.022 7.253 1.00 4.14 H new ATOM 0 HZ3 LYS A 78 -1.924 14.580 6.504 1.00 4.14 H new ATOM 785 N PHE A 79 -2.105 7.720 5.050 1.00 0.95 N ATOM 786 CA PHE A 79 -3.270 6.930 4.644 1.00 0.77 C ATOM 787 C PHE A 79 -4.550 7.356 5.359 1.00 0.70 C ATOM 788 O PHE A 79 -5.626 7.400 4.731 1.00 0.64 O ATOM 789 CB PHE A 79 -3.014 5.441 4.904 1.00 0.88 C ATOM 790 CG PHE A 79 -4.073 4.536 4.336 1.00 0.79 C ATOM 791 CD1 PHE A 79 -5.083 4.028 5.138 1.00 0.86 C ATOM 792 CD2 PHE A 79 -4.057 4.200 2.995 1.00 0.78 C ATOM 793 CE1 PHE A 79 -6.057 3.202 4.607 1.00 0.85 C ATOM 794 CE2 PHE A 79 -5.026 3.374 2.460 1.00 0.84 C ATOM 795 CZ PHE A 79 -6.026 2.875 3.265 1.00 0.82 C ATOM 0 H PHE A 79 -1.291 7.156 5.294 1.00 0.95 H new ATOM 0 HA PHE A 79 -3.414 7.108 3.578 1.00 0.77 H new ATOM 0 HB2 PHE A 79 -2.049 5.168 4.478 1.00 0.88 H new ATOM 0 HB3 PHE A 79 -2.946 5.276 5.979 1.00 0.88 H new ATOM 0 HD1 PHE A 79 -5.110 4.280 6.188 1.00 0.86 H new ATOM 0 HD2 PHE A 79 -3.277 4.589 2.357 1.00 0.78 H new ATOM 0 HE1 PHE A 79 -6.841 2.813 5.240 1.00 0.85 H new ATOM 0 HE2 PHE A 79 -5.000 3.119 1.411 1.00 0.84 H new ATOM 0 HZ PHE A 79 -6.785 2.229 2.848 1.00 0.82 H new ATOM 805 N LYS A 80 -4.428 7.709 6.648 1.00 0.82 N ATOM 806 CA LYS A 80 -5.604 7.961 7.475 1.00 0.89 C ATOM 807 C LYS A 80 -6.284 9.256 7.040 1.00 0.81 C ATOM 808 O LYS A 80 -7.512 9.353 7.010 1.00 0.87 O ATOM 809 CB LYS A 80 -5.219 8.013 8.957 1.00 1.12 C ATOM 810 CG LYS A 80 -6.409 7.959 9.901 1.00 1.66 C ATOM 811 CD LYS A 80 -5.963 7.941 11.352 1.00 2.17 C ATOM 812 CE LYS A 80 -7.141 7.789 12.304 1.00 2.87 C ATOM 813 NZ LYS A 80 -8.121 8.899 12.162 1.00 3.48 N ATOM 0 H LYS A 80 -3.536 7.824 7.130 1.00 0.82 H new ATOM 0 HA LYS A 80 -6.310 7.141 7.341 1.00 0.89 H new ATOM 0 HB2 LYS A 80 -4.552 7.180 9.179 1.00 1.12 H new ATOM 0 HB3 LYS A 80 -4.659 8.929 9.146 1.00 1.12 H new ATOM 0 HG2 LYS A 80 -7.053 8.821 9.727 1.00 1.66 H new ATOM 0 HG3 LYS A 80 -7.003 7.070 9.690 1.00 1.66 H new ATOM 0 HD2 LYS A 80 -5.263 7.120 11.507 1.00 2.17 H new ATOM 0 HD3 LYS A 80 -5.429 8.863 11.579 1.00 2.17 H new ATOM 0 HE2 LYS A 80 -7.640 6.839 12.114 1.00 2.87 H new ATOM 0 HE3 LYS A 80 -6.776 7.758 13.330 1.00 2.87 H new ATOM 0 HZ1 LYS A 80 -8.814 8.851 12.936 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -7.621 9.810 12.200 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -8.614 8.813 11.250 1.00 3.48 H new ATOM 827 N GLU A 81 -5.471 10.230 6.664 1.00 0.78 N ATOM 828 CA GLU A 81 -5.968 11.493 6.155 1.00 0.78 C ATOM 829 C GLU A 81 -6.342 11.329 4.693 1.00 0.62 C ATOM 830 O GLU A 81 -7.281 11.949 4.210 1.00 0.64 O ATOM 831 CB GLU A 81 -4.905 12.585 6.315 1.00 0.96 C ATOM 832 CG GLU A 81 -5.275 13.913 5.674 1.00 1.53 C ATOM 833 CD GLU A 81 -4.200 14.963 5.852 1.00 2.31 C ATOM 834 OE1 GLU A 81 -3.111 14.823 5.257 1.00 3.07 O ATOM 835 OE2 GLU A 81 -4.434 15.942 6.586 1.00 2.63 O ATOM 0 H GLU A 81 -4.454 10.166 6.704 1.00 0.78 H new ATOM 0 HA GLU A 81 -6.850 11.791 6.722 1.00 0.78 H new ATOM 0 HB2 GLU A 81 -4.722 12.746 7.377 1.00 0.96 H new ATOM 0 HB3 GLU A 81 -3.970 12.232 5.880 1.00 0.96 H new ATOM 0 HG2 GLU A 81 -5.457 13.761 4.610 1.00 1.53 H new ATOM 0 HG3 GLU A 81 -6.207 14.275 6.108 1.00 1.53 H new ATOM 842 N GLY A 82 -5.615 10.454 4.008 1.00 0.55 N ATOM 843 CA GLY A 82 -5.843 10.206 2.615 1.00 0.47 C ATOM 844 C GLY A 82 -7.252 9.734 2.351 1.00 0.46 C ATOM 845 O GLY A 82 -7.937 10.226 1.447 1.00 0.49 O ATOM 0 H GLY A 82 -4.857 9.905 4.413 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -5.653 11.117 2.048 1.00 0.47 H new ATOM 0 HA3 GLY A 82 -5.136 9.456 2.259 1.00 0.47 H new ATOM 849 N VAL A 83 -7.681 8.789 3.171 1.00 0.51 N ATOM 850 CA VAL A 83 -9.008 8.199 3.058 1.00 0.61 C ATOM 851 C VAL A 83 -10.079 9.213 3.439 1.00 0.70 C ATOM 852 O VAL A 83 -11.050 9.416 2.710 1.00 0.79 O ATOM 853 CB VAL A 83 -9.113 7.145 3.851 1.00 0.70 C ATOM 854 CG1 VAL A 83 -10.501 6.516 3.754 1.00 0.85 C ATOM 855 CG2 VAL A 83 -8.046 6.108 3.540 1.00 0.69 C ATOM 0 H VAL A 83 -7.121 8.408 3.934 1.00 0.51 H new ATOM 0 HA VAL A 83 -9.152 7.893 2.022 1.00 0.61 H new ATOM 0 HB VAL A 83 -8.963 7.495 4.872 1.00 0.70 H new ATOM 0 HG11 VAL A 83 -10.556 5.652 4.417 1.00 0.85 H new ATOM 0 HG12 VAL A 83 -11.253 7.248 4.048 1.00 0.85 H new ATOM 0 HG13 VAL A 83 -10.685 6.198 2.728 1.00 0.85 H new ATOM 0 HG21 VAL A 83 -8.161 5.256 4.209 1.00 0.69 H new ATOM 0 HG22 VAL A 83 -8.152 5.775 2.507 1.00 0.69 H new ATOM 0 HG23 VAL A 83 -7.059 6.548 3.680 1.00 0.69 H new ATOM 865 N ALA A 84 -9.857 9.898 4.552 1.00 0.76 N ATOM 866 CA ALA A 84 -10.853 10.810 5.095 1.00 0.94 C ATOM 867 C ALA A 84 -10.949 12.060 4.245 1.00 0.88 C ATOM 868 O ALA A 84 -12.002 12.691 4.157 1.00 1.07 O ATOM 869 CB ALA A 84 -10.524 11.165 6.535 1.00 1.12 C ATOM 0 H ALA A 84 -8.996 9.839 5.096 1.00 0.76 H new ATOM 0 HA ALA A 84 -11.821 10.310 5.079 1.00 0.94 H new ATOM 0 HB1 ALA A 84 -11.280 11.848 6.923 1.00 1.12 H new ATOM 0 HB2 ALA A 84 -10.509 10.258 7.139 1.00 1.12 H new ATOM 0 HB3 ALA A 84 -9.546 11.645 6.577 1.00 1.12 H new ATOM 875 N SER A 85 -9.842 12.402 3.614 1.00 0.76 N ATOM 876 CA SER A 85 -9.817 13.510 2.670 1.00 0.84 C ATOM 877 C SER A 85 -10.606 13.125 1.420 1.00 0.94 C ATOM 878 O SER A 85 -11.108 13.980 0.695 1.00 1.22 O ATOM 879 CB SER A 85 -8.369 13.874 2.313 1.00 1.19 C ATOM 880 OG SER A 85 -8.291 15.126 1.649 1.00 1.88 O ATOM 0 H SER A 85 -8.946 11.930 3.736 1.00 0.76 H new ATOM 0 HA SER A 85 -10.279 14.386 3.124 1.00 0.84 H new ATOM 0 HB2 SER A 85 -7.767 13.906 3.221 1.00 1.19 H new ATOM 0 HB3 SER A 85 -7.945 13.097 1.676 1.00 1.19 H new ATOM 0 HG SER A 85 -7.356 15.417 1.608 1.00 1.88 H new ATOM 886 N GLY A 86 -10.717 11.818 1.187 1.00 0.96 N ATOM 887 CA GLY A 86 -11.516 11.317 0.088 1.00 1.46 C ATOM 888 C GLY A 86 -10.790 11.402 -1.228 1.00 1.21 C ATOM 889 O GLY A 86 -11.408 11.347 -2.293 1.00 1.66 O ATOM 0 H GLY A 86 -10.263 11.096 1.746 1.00 0.96 H new ATOM 0 HA2 GLY A 86 -11.790 10.280 0.283 1.00 1.46 H new ATOM 0 HA3 GLY A 86 -12.444 11.886 0.027 1.00 1.46 H new ATOM 893 N ASN A 87 -9.473 11.514 -1.157 1.00 0.66 N ATOM 894 CA ASN A 87 -8.662 11.707 -2.354 1.00 0.67 C ATOM 895 C ASN A 87 -7.197 11.404 -2.083 1.00 0.52 C ATOM 896 O ASN A 87 -6.323 12.243 -2.292 1.00 0.72 O ATOM 897 CB ASN A 87 -8.835 13.135 -2.915 1.00 0.95 C ATOM 898 CG ASN A 87 -8.691 14.245 -1.873 1.00 1.40 C ATOM 899 OD1 ASN A 87 -9.395 15.252 -1.934 1.00 2.08 O ATOM 900 ND2 ASN A 87 -7.758 14.103 -0.947 1.00 1.72 N ATOM 0 H ASN A 87 -8.942 11.475 -0.287 1.00 0.66 H new ATOM 0 HA ASN A 87 -9.013 11.003 -3.108 1.00 0.67 H new ATOM 0 HB2 ASN A 87 -8.098 13.295 -3.702 1.00 0.95 H new ATOM 0 HB3 ASN A 87 -9.819 13.214 -3.378 1.00 0.95 H new ATOM 0 HD21 ASN A 87 -7.607 14.840 -0.258 1.00 1.72 H new ATOM 0 HD22 ASN A 87 -7.190 13.256 -0.921 1.00 1.72 H new ATOM 907 N LEU A 88 -6.940 10.206 -1.593 1.00 0.40 N ATOM 908 CA LEU A 88 -5.584 9.768 -1.336 1.00 0.32 C ATOM 909 C LEU A 88 -4.820 9.572 -2.630 1.00 0.30 C ATOM 910 O LEU A 88 -4.827 8.489 -3.196 1.00 0.34 O ATOM 911 CB LEU A 88 -5.588 8.464 -0.562 1.00 0.37 C ATOM 912 CG LEU A 88 -4.487 8.362 0.463 1.00 0.42 C ATOM 913 CD1 LEU A 88 -4.685 7.138 1.342 1.00 0.56 C ATOM 914 CD2 LEU A 88 -3.108 8.336 -0.181 1.00 0.48 C ATOM 0 H LEU A 88 -7.657 9.517 -1.365 1.00 0.40 H new ATOM 0 HA LEU A 88 -5.093 10.543 -0.748 1.00 0.32 H new ATOM 0 HB2 LEU A 88 -6.550 8.352 -0.061 1.00 0.37 H new ATOM 0 HB3 LEU A 88 -5.496 7.635 -1.264 1.00 0.37 H new ATOM 0 HG LEU A 88 -4.541 9.256 1.084 1.00 0.42 H new ATOM 0 HD11 LEU A 88 -3.880 7.082 2.075 1.00 0.56 H new ATOM 0 HD12 LEU A 88 -5.642 7.212 1.859 1.00 0.56 H new ATOM 0 HD13 LEU A 88 -4.675 6.240 0.724 1.00 0.56 H new ATOM 0 HD21 LEU A 88 -2.346 8.262 0.594 1.00 0.48 H new ATOM 0 HD22 LEU A 88 -3.033 7.476 -0.847 1.00 0.48 H new ATOM 0 HD23 LEU A 88 -2.956 9.251 -0.753 1.00 0.48 H new ATOM 926 N ASN A 89 -4.189 10.622 -3.100 1.00 0.32 N ATOM 927 CA ASN A 89 -3.346 10.536 -4.274 1.00 0.34 C ATOM 928 C ASN A 89 -2.138 11.444 -4.093 1.00 0.40 C ATOM 929 O ASN A 89 -2.234 12.660 -4.264 1.00 0.50 O ATOM 930 CB ASN A 89 -4.153 10.904 -5.527 1.00 0.41 C ATOM 931 CG ASN A 89 -3.293 11.029 -6.777 1.00 1.12 C ATOM 932 OD1 ASN A 89 -2.269 10.357 -6.917 1.00 2.01 O ATOM 933 ND2 ASN A 89 -3.704 11.887 -7.699 1.00 1.62 N ATOM 0 H ASN A 89 -4.243 11.553 -2.686 1.00 0.32 H new ATOM 0 HA ASN A 89 -2.988 9.515 -4.403 1.00 0.34 H new ATOM 0 HB2 ASN A 89 -4.918 10.146 -5.694 1.00 0.41 H new ATOM 0 HB3 ASN A 89 -4.671 11.847 -5.354 1.00 0.41 H new ATOM 0 HD21 ASN A 89 -3.168 12.008 -8.558 1.00 1.62 H new ATOM 0 HD22 ASN A 89 -4.557 12.427 -7.550 1.00 1.62 H new ATOM 940 N THR A 90 -1.001 10.854 -3.727 1.00 0.39 N ATOM 941 CA THR A 90 0.180 11.630 -3.411 1.00 0.50 C ATOM 942 C THR A 90 1.439 10.795 -3.601 1.00 0.55 C ATOM 943 O THR A 90 1.383 9.562 -3.652 1.00 0.69 O ATOM 944 CB THR A 90 0.113 12.104 -2.167 1.00 0.68 C ATOM 945 OG1 THR A 90 1.158 13.059 -1.926 1.00 1.67 O ATOM 946 CG2 THR A 90 0.184 10.991 -1.126 1.00 1.22 C ATOM 0 H THR A 90 -0.880 9.845 -3.644 1.00 0.39 H new ATOM 0 HA THR A 90 0.225 12.476 -4.097 1.00 0.50 H new ATOM 0 HB THR A 90 -0.854 12.597 -2.069 1.00 0.68 H new ATOM 0 HG1 THR A 90 1.089 13.395 -1.008 1.00 1.67 H new ATOM 0 HG21 THR A 90 0.126 11.423 -0.127 1.00 1.22 H new ATOM 0 HG22 THR A 90 -0.648 10.302 -1.272 1.00 1.22 H new ATOM 0 HG23 THR A 90 1.125 10.451 -1.234 1.00 1.22 H new ATOM 954 N MET A 91 2.557 11.475 -3.786 1.00 0.72 N ATOM 955 CA MET A 91 3.847 10.820 -3.898 1.00 1.00 C ATOM 956 C MET A 91 4.826 11.401 -2.893 1.00 0.88 C ATOM 957 O MET A 91 5.037 12.615 -2.837 1.00 0.92 O ATOM 958 CB MET A 91 4.410 10.934 -5.319 1.00 1.53 C ATOM 959 CG MET A 91 4.410 12.353 -5.870 1.00 2.33 C ATOM 960 SD MET A 91 5.007 12.446 -7.566 1.00 3.24 S ATOM 961 CE MET A 91 4.933 14.215 -7.842 1.00 3.94 C ATOM 0 H MET A 91 2.596 12.491 -3.862 1.00 0.72 H new ATOM 0 HA MET A 91 3.704 9.762 -3.679 1.00 1.00 H new ATOM 0 HB2 MET A 91 5.431 10.552 -5.327 1.00 1.53 H new ATOM 0 HB3 MET A 91 3.826 10.297 -5.983 1.00 1.53 H new ATOM 0 HG2 MET A 91 3.398 12.755 -5.824 1.00 2.33 H new ATOM 0 HG3 MET A 91 5.033 12.984 -5.236 1.00 2.33 H new ATOM 0 HE1 MET A 91 5.272 14.440 -8.853 1.00 3.94 H new ATOM 0 HE2 MET A 91 3.906 14.560 -7.719 1.00 3.94 H new ATOM 0 HE3 MET A 91 5.575 14.723 -7.122 1.00 3.94 H new ATOM 971 N PHE A 92 5.415 10.529 -2.100 1.00 0.98 N ATOM 972 CA PHE A 92 6.339 10.942 -1.065 1.00 1.01 C ATOM 973 C PHE A 92 7.427 9.895 -0.899 1.00 0.90 C ATOM 974 O PHE A 92 7.143 8.704 -0.792 1.00 0.85 O ATOM 975 CB PHE A 92 5.591 11.149 0.256 1.00 1.24 C ATOM 976 CG PHE A 92 6.473 11.555 1.406 1.00 1.49 C ATOM 977 CD1 PHE A 92 6.963 12.848 1.495 1.00 1.94 C ATOM 978 CD2 PHE A 92 6.814 10.644 2.394 1.00 1.58 C ATOM 979 CE1 PHE A 92 7.773 13.226 2.548 1.00 2.47 C ATOM 980 CE2 PHE A 92 7.625 11.017 3.450 1.00 2.01 C ATOM 981 CZ PHE A 92 8.098 12.299 3.535 1.00 2.46 C ATOM 0 H PHE A 92 5.268 9.521 -2.154 1.00 0.98 H new ATOM 0 HA PHE A 92 6.801 11.886 -1.354 1.00 1.01 H new ATOM 0 HB2 PHE A 92 4.826 11.912 0.112 1.00 1.24 H new ATOM 0 HB3 PHE A 92 5.075 10.225 0.517 1.00 1.24 H new ATOM 0 HD1 PHE A 92 6.709 13.569 0.732 1.00 1.94 H new ATOM 0 HD2 PHE A 92 6.442 9.632 2.338 1.00 1.58 H new ATOM 0 HE1 PHE A 92 8.152 14.236 2.606 1.00 2.47 H new ATOM 0 HE2 PHE A 92 7.886 10.295 4.210 1.00 2.01 H new ATOM 0 HZ PHE A 92 8.722 12.591 4.366 1.00 2.46 H new ATOM 991 N GLU A 93 8.667 10.333 -0.904 1.00 0.98 N ATOM 992 CA GLU A 93 9.776 9.425 -0.706 1.00 0.97 C ATOM 993 C GLU A 93 10.339 9.582 0.695 1.00 1.21 C ATOM 994 O GLU A 93 10.655 10.695 1.135 1.00 1.50 O ATOM 995 CB GLU A 93 10.860 9.646 -1.764 1.00 1.18 C ATOM 996 CG GLU A 93 11.381 11.067 -1.854 1.00 1.33 C ATOM 997 CD GLU A 93 12.304 11.259 -3.034 1.00 1.57 C ATOM 998 OE1 GLU A 93 13.416 10.695 -3.018 1.00 1.97 O ATOM 999 OE2 GLU A 93 11.933 11.988 -3.976 1.00 1.92 O ATOM 0 H GLU A 93 8.932 11.308 -1.042 1.00 0.98 H new ATOM 0 HA GLU A 93 9.411 8.404 -0.817 1.00 0.97 H new ATOM 0 HB2 GLU A 93 11.696 8.980 -1.551 1.00 1.18 H new ATOM 0 HB3 GLU A 93 10.462 9.358 -2.737 1.00 1.18 H new ATOM 0 HG2 GLU A 93 10.541 11.756 -1.935 1.00 1.33 H new ATOM 0 HG3 GLU A 93 11.911 11.317 -0.935 1.00 1.33 H new ATOM 1006 N TYR A 94 10.440 8.467 1.402 1.00 1.23 N ATOM 1007 CA TYR A 94 10.988 8.472 2.741 1.00 1.60 C ATOM 1008 C TYR A 94 12.174 7.532 2.796 1.00 1.67 C ATOM 1009 O TYR A 94 12.034 6.323 2.952 1.00 1.62 O ATOM 1010 CB TYR A 94 9.922 8.127 3.798 1.00 1.88 C ATOM 1011 CG TYR A 94 9.096 6.887 3.516 1.00 2.23 C ATOM 1012 CD1 TYR A 94 9.354 5.689 4.172 1.00 2.63 C ATOM 1013 CD2 TYR A 94 8.074 6.910 2.573 1.00 2.62 C ATOM 1014 CE1 TYR A 94 8.616 4.553 3.900 1.00 3.18 C ATOM 1015 CE2 TYR A 94 7.330 5.779 2.298 1.00 3.33 C ATOM 1016 CZ TYR A 94 7.554 4.620 3.036 1.00 3.51 C ATOM 1017 OH TYR A 94 6.867 3.471 2.694 1.00 4.29 O ATOM 0 H TYR A 94 10.148 7.549 1.067 1.00 1.23 H new ATOM 0 HA TYR A 94 11.329 9.479 2.982 1.00 1.60 H new ATOM 0 HB2 TYR A 94 10.418 8.000 4.760 1.00 1.88 H new ATOM 0 HB3 TYR A 94 9.247 8.977 3.897 1.00 1.88 H new ATOM 0 HD1 TYR A 94 10.145 5.645 4.907 1.00 2.63 H new ATOM 0 HD2 TYR A 94 7.858 7.828 2.047 1.00 2.62 H new ATOM 0 HE1 TYR A 94 8.875 3.614 4.367 1.00 3.18 H new ATOM 0 HE2 TYR A 94 6.582 5.794 1.519 1.00 3.33 H new ATOM 0 HH TYR A 94 6.143 3.695 2.073 1.00 4.29 H new ATOM 1170 N LYS A 104 15.590 3.126 0.208 1.00 1.52 N ATOM 1171 CA LYS A 104 15.069 4.353 -0.352 1.00 1.37 C ATOM 1172 C LYS A 104 13.820 4.054 -1.153 1.00 1.18 C ATOM 1173 O LYS A 104 13.892 3.600 -2.302 1.00 1.26 O ATOM 1174 CB LYS A 104 16.101 5.079 -1.218 1.00 1.53 C ATOM 1175 CG LYS A 104 15.615 6.442 -1.682 1.00 1.64 C ATOM 1176 CD LYS A 104 16.718 7.241 -2.355 1.00 2.24 C ATOM 1177 CE LYS A 104 16.288 8.679 -2.616 1.00 2.60 C ATOM 1178 NZ LYS A 104 15.091 8.757 -3.494 1.00 3.12 N ATOM 0 HA LYS A 104 14.824 5.021 0.474 1.00 1.37 H new ATOM 0 HB2 LYS A 104 17.025 5.199 -0.652 1.00 1.53 H new ATOM 0 HB3 LYS A 104 16.337 4.466 -2.088 1.00 1.53 H new ATOM 0 HG2 LYS A 104 14.785 6.314 -2.377 1.00 1.64 H new ATOM 0 HG3 LYS A 104 15.232 7.001 -0.828 1.00 1.64 H new ATOM 0 HD2 LYS A 104 17.608 7.235 -1.726 1.00 2.24 H new ATOM 0 HD3 LYS A 104 16.990 6.765 -3.297 1.00 2.24 H new ATOM 0 HE2 LYS A 104 16.073 9.170 -1.667 1.00 2.60 H new ATOM 0 HE3 LYS A 104 17.111 9.224 -3.078 1.00 2.60 H new ATOM 0 HZ1 LYS A 104 15.331 9.276 -4.363 1.00 3.12 H new ATOM 0 HZ2 LYS A 104 14.778 7.796 -3.740 1.00 3.12 H new ATOM 0 HZ3 LYS A 104 14.326 9.253 -2.994 1.00 3.12 H new ATOM 1192 N VAL A 105 12.680 4.294 -0.523 1.00 1.04 N ATOM 1193 CA VAL A 105 11.394 4.042 -1.147 1.00 0.90 C ATOM 1194 C VAL A 105 10.675 5.334 -1.485 1.00 0.72 C ATOM 1195 O VAL A 105 10.999 6.400 -0.952 1.00 0.75 O ATOM 1196 CB VAL A 105 10.604 3.289 -0.397 1.00 1.00 C ATOM 1197 CG1 VAL A 105 11.150 1.872 -0.298 1.00 1.23 C ATOM 1198 CG2 VAL A 105 10.412 3.885 0.990 1.00 1.11 C ATOM 0 H VAL A 105 12.622 4.665 0.425 1.00 1.04 H new ATOM 0 HA VAL A 105 11.613 3.499 -2.066 1.00 0.90 H new ATOM 0 HB VAL A 105 9.627 3.255 -0.880 1.00 1.00 H new ATOM 0 HG11 VAL A 105 10.487 1.269 0.322 1.00 1.23 H new ATOM 0 HG12 VAL A 105 11.211 1.435 -1.295 1.00 1.23 H new ATOM 0 HG13 VAL A 105 12.144 1.895 0.149 1.00 1.23 H new ATOM 0 HG21 VAL A 105 9.758 3.239 1.576 1.00 1.11 H new ATOM 0 HG22 VAL A 105 11.379 3.970 1.487 1.00 1.11 H new ATOM 0 HG23 VAL A 105 9.962 4.874 0.902 1.00 1.11 H new ATOM 1208 N LYS A 106 9.728 5.234 -2.399 1.00 0.64 N ATOM 1209 CA LYS A 106 8.959 6.383 -2.832 1.00 0.59 C ATOM 1210 C LYS A 106 7.544 5.943 -3.157 1.00 0.53 C ATOM 1211 O LYS A 106 7.331 5.163 -4.087 1.00 0.68 O ATOM 1212 CB LYS A 106 9.615 7.020 -4.062 1.00 0.79 C ATOM 1213 CG LYS A 106 9.094 8.410 -4.389 1.00 1.39 C ATOM 1214 CD LYS A 106 9.897 9.054 -5.507 1.00 1.61 C ATOM 1215 CE LYS A 106 9.453 8.570 -6.879 1.00 2.08 C ATOM 1216 NZ LYS A 106 8.085 9.046 -7.218 1.00 2.36 N ATOM 0 H LYS A 106 9.472 4.360 -2.859 1.00 0.64 H new ATOM 0 HA LYS A 106 8.930 7.125 -2.034 1.00 0.59 H new ATOM 0 HB2 LYS A 106 10.691 7.075 -3.900 1.00 0.79 H new ATOM 0 HB3 LYS A 106 9.456 6.371 -4.923 1.00 0.79 H new ATOM 0 HG2 LYS A 106 8.046 8.348 -4.681 1.00 1.39 H new ATOM 0 HG3 LYS A 106 9.140 9.036 -3.498 1.00 1.39 H new ATOM 0 HD2 LYS A 106 9.790 10.137 -5.453 1.00 1.61 H new ATOM 0 HD3 LYS A 106 10.955 8.831 -5.369 1.00 1.61 H new ATOM 0 HE2 LYS A 106 10.157 8.921 -7.633 1.00 2.08 H new ATOM 0 HE3 LYS A 106 9.475 7.481 -6.905 1.00 2.08 H new ATOM 0 HZ1 LYS A 106 7.946 8.999 -8.248 1.00 2.36 H new ATOM 0 HZ2 LYS A 106 7.381 8.444 -6.746 1.00 2.36 H new ATOM 0 HZ3 LYS A 106 7.970 10.029 -6.898 1.00 2.36 H new ATOM 1230 N VAL A 107 6.578 6.427 -2.392 1.00 0.47 N ATOM 1231 CA VAL A 107 5.206 6.003 -2.583 1.00 0.49 C ATOM 1232 C VAL A 107 4.501 6.865 -3.590 1.00 0.45 C ATOM 1233 O VAL A 107 4.800 8.048 -3.741 1.00 0.74 O ATOM 1234 CB VAL A 107 4.468 5.988 -1.474 1.00 0.60 C ATOM 1235 CG1 VAL A 107 4.893 4.846 -0.564 1.00 0.99 C ATOM 1236 CG2 VAL A 107 4.518 7.309 -0.720 1.00 1.11 C ATOM 0 H VAL A 107 6.718 7.105 -1.643 1.00 0.47 H new ATOM 0 HA VAL A 107 5.298 4.976 -2.936 1.00 0.49 H new ATOM 0 HB VAL A 107 3.435 5.835 -1.786 1.00 0.60 H new ATOM 0 HG11 VAL A 107 4.279 4.850 0.336 1.00 0.99 H new ATOM 0 HG12 VAL A 107 4.765 3.898 -1.086 1.00 0.99 H new ATOM 0 HG13 VAL A 107 5.940 4.970 -0.289 1.00 0.99 H new ATOM 0 HG21 VAL A 107 3.899 7.241 0.175 1.00 1.11 H new ATOM 0 HG22 VAL A 107 5.547 7.526 -0.434 1.00 1.11 H new ATOM 0 HG23 VAL A 107 4.143 8.108 -1.360 1.00 1.11 H new ATOM 1246 N HIS A 108 3.641 6.235 -4.342 1.00 0.30 N ATOM 1247 CA HIS A 108 2.611 6.943 -5.039 1.00 0.31 C ATOM 1248 C HIS A 108 1.324 6.206 -4.782 1.00 0.28 C ATOM 1249 O HIS A 108 1.080 5.138 -5.336 1.00 0.31 O ATOM 1250 CB HIS A 108 2.894 7.048 -6.540 1.00 0.43 C ATOM 1251 CG HIS A 108 1.953 7.977 -7.257 1.00 0.56 C ATOM 1252 ND1 HIS A 108 1.595 7.824 -8.579 1.00 0.94 N ATOM 1253 CD2 HIS A 108 1.299 9.085 -6.823 1.00 0.71 C ATOM 1254 CE1 HIS A 108 0.765 8.792 -8.923 1.00 1.01 C ATOM 1255 NE2 HIS A 108 0.571 9.569 -7.879 1.00 0.80 N ATOM 0 H HIS A 108 3.636 5.225 -4.486 1.00 0.30 H new ATOM 0 HA HIS A 108 2.555 7.970 -4.677 1.00 0.31 H new ATOM 0 HB2 HIS A 108 3.917 7.393 -6.687 1.00 0.43 H new ATOM 0 HB3 HIS A 108 2.825 6.056 -6.986 1.00 0.43 H new ATOM 0 HD2 HIS A 108 1.344 9.507 -5.830 1.00 0.71 H new ATOM 0 HE1 HIS A 108 0.320 8.924 -9.898 1.00 1.01 H new ATOM 0 HE2 HIS A 108 -0.024 10.397 -7.859 1.00 0.80 H new ATOM 1264 N MET A 109 0.530 6.765 -3.907 1.00 0.31 N ATOM 1265 CA MET A 109 -0.754 6.196 -3.580 1.00 0.33 C ATOM 1266 C MET A 109 -1.792 7.023 -4.274 1.00 0.37 C ATOM 1267 O MET A 109 -1.723 8.243 -4.230 1.00 0.55 O ATOM 1268 CB MET A 109 -0.986 6.194 -2.066 1.00 0.43 C ATOM 1269 CG MET A 109 0.067 5.421 -1.288 1.00 0.77 C ATOM 1270 SD MET A 109 -0.321 5.307 0.467 1.00 1.28 S ATOM 1271 CE MET A 109 -1.823 4.336 0.410 1.00 2.22 C ATOM 0 H MET A 109 0.752 7.623 -3.402 1.00 0.31 H new ATOM 0 HA MET A 109 -0.804 5.158 -3.908 1.00 0.33 H new ATOM 0 HB2 MET A 109 -1.006 7.224 -1.709 1.00 0.43 H new ATOM 0 HB3 MET A 109 -1.966 5.765 -1.858 1.00 0.43 H new ATOM 0 HG2 MET A 109 0.157 4.417 -1.703 1.00 0.77 H new ATOM 0 HG3 MET A 109 1.035 5.906 -1.412 1.00 0.77 H new ATOM 0 HE1 MET A 109 -2.669 4.957 0.703 1.00 2.22 H new ATOM 0 HE2 MET A 109 -1.979 3.966 -0.603 1.00 2.22 H new ATOM 0 HE3 MET A 109 -1.737 3.493 1.095 1.00 2.22 H new ATOM 1281 N LYS A 110 -2.722 6.385 -4.950 1.00 0.27 N ATOM 1282 CA LYS A 110 -3.675 7.131 -5.732 1.00 0.30 C ATOM 1283 C LYS A 110 -5.051 6.540 -5.572 1.00 0.24 C ATOM 1284 O LYS A 110 -5.226 5.325 -5.648 1.00 0.24 O ATOM 1285 CB LYS A 110 -3.259 7.171 -7.212 1.00 0.43 C ATOM 1286 CG LYS A 110 -3.212 5.812 -7.891 1.00 0.64 C ATOM 1287 CD LYS A 110 -2.725 5.928 -9.329 1.00 0.78 C ATOM 1288 CE LYS A 110 -2.853 4.605 -10.066 1.00 1.38 C ATOM 1289 NZ LYS A 110 -2.313 4.676 -11.448 1.00 1.73 N ATOM 0 H LYS A 110 -2.836 5.372 -4.973 1.00 0.27 H new ATOM 0 HA LYS A 110 -3.696 8.158 -5.368 1.00 0.30 H new ATOM 0 HB2 LYS A 110 -3.955 7.810 -7.755 1.00 0.43 H new ATOM 0 HB3 LYS A 110 -2.275 7.635 -7.287 1.00 0.43 H new ATOM 0 HG2 LYS A 110 -2.552 5.147 -7.334 1.00 0.64 H new ATOM 0 HG3 LYS A 110 -4.204 5.361 -7.876 1.00 0.64 H new ATOM 0 HD2 LYS A 110 -3.301 6.693 -9.849 1.00 0.78 H new ATOM 0 HD3 LYS A 110 -1.684 6.252 -9.337 1.00 0.78 H new ATOM 0 HE2 LYS A 110 -2.325 3.830 -9.511 1.00 1.38 H new ATOM 0 HE3 LYS A 110 -3.902 4.312 -10.103 1.00 1.38 H new ATOM 0 HZ1 LYS A 110 -2.422 3.751 -11.911 1.00 1.73 H new ATOM 0 HZ2 LYS A 110 -2.833 5.397 -11.987 1.00 1.73 H new ATOM 0 HZ3 LYS A 110 -1.305 4.930 -11.414 1.00 1.73 H new ATOM 1303 N LYS A 111 -6.013 7.395 -5.306 1.00 0.23 N ATOM 1304 CA LYS A 111 -7.377 6.993 -5.286 1.00 0.22 C ATOM 1305 C LYS A 111 -7.759 6.366 -6.618 1.00 0.22 C ATOM 1306 O LYS A 111 -7.763 7.028 -7.658 1.00 0.29 O ATOM 1307 CB LYS A 111 -8.206 8.218 -4.989 1.00 0.28 C ATOM 1308 CG LYS A 111 -9.702 8.003 -5.099 1.00 0.35 C ATOM 1309 CD LYS A 111 -10.456 9.278 -4.785 1.00 0.53 C ATOM 1310 CE LYS A 111 -11.923 9.148 -5.157 1.00 0.91 C ATOM 1311 NZ LYS A 111 -12.713 10.345 -4.769 1.00 1.78 N ATOM 0 H LYS A 111 -5.859 8.382 -5.100 1.00 0.23 H new ATOM 0 HA LYS A 111 -7.552 6.238 -4.519 1.00 0.22 H new ATOM 0 HB2 LYS A 111 -7.974 8.563 -3.982 1.00 0.28 H new ATOM 0 HB3 LYS A 111 -7.914 9.014 -5.674 1.00 0.28 H new ATOM 0 HG2 LYS A 111 -9.952 7.666 -6.105 1.00 0.35 H new ATOM 0 HG3 LYS A 111 -10.011 7.214 -4.413 1.00 0.35 H new ATOM 0 HD2 LYS A 111 -10.365 9.506 -3.723 1.00 0.53 H new ATOM 0 HD3 LYS A 111 -10.011 10.111 -5.329 1.00 0.53 H new ATOM 0 HE2 LYS A 111 -12.010 8.991 -6.232 1.00 0.91 H new ATOM 0 HE3 LYS A 111 -12.342 8.266 -4.671 1.00 0.91 H new ATOM 0 HZ1 LYS A 111 -13.703 10.070 -4.607 1.00 1.78 H new ATOM 0 HZ2 LYS A 111 -12.320 10.753 -3.897 1.00 1.78 H new ATOM 0 HZ3 LYS A 111 -12.670 11.051 -5.531 1.00 1.78 H new ATOM 1325 N ALA A 112 -8.037 5.071 -6.559 1.00 0.22 N ATOM 1326 CA ALA A 112 -8.287 4.271 -7.740 1.00 0.26 C ATOM 1327 C ALA A 112 -9.454 4.831 -8.536 1.00 0.38 C ATOM 1328 O ALA A 112 -10.430 5.322 -7.966 1.00 0.45 O ATOM 1329 CB ALA A 112 -8.564 2.830 -7.347 1.00 0.33 C ATOM 0 H ALA A 112 -8.095 4.548 -5.685 1.00 0.22 H new ATOM 0 HA ALA A 112 -7.398 4.303 -8.369 1.00 0.26 H new ATOM 0 HB1 ALA A 112 -8.751 2.238 -8.243 1.00 0.33 H new ATOM 0 HB2 ALA A 112 -7.702 2.425 -6.818 1.00 0.33 H new ATOM 0 HB3 ALA A 112 -9.439 2.792 -6.698 1.00 0.33 H new ATOM 1335 N LEU A 113 -9.362 4.728 -9.854 1.00 0.47 N ATOM 1336 CA LEU A 113 -10.377 5.277 -10.744 1.00 0.64 C ATOM 1337 C LEU A 113 -11.665 4.461 -10.668 1.00 0.76 C ATOM 1338 O LEU A 113 -12.699 4.858 -11.210 1.00 0.96 O ATOM 1339 CB LEU A 113 -9.864 5.310 -12.185 1.00 0.76 C ATOM 1340 CG LEU A 113 -8.558 6.079 -12.398 1.00 1.55 C ATOM 1341 CD1 LEU A 113 -8.162 6.062 -13.867 1.00 2.27 C ATOM 1342 CD2 LEU A 113 -8.694 7.507 -11.897 1.00 2.39 C ATOM 0 H LEU A 113 -8.590 4.266 -10.334 1.00 0.47 H new ATOM 0 HA LEU A 113 -10.592 6.296 -10.422 1.00 0.64 H new ATOM 0 HB2 LEU A 113 -9.722 4.285 -12.526 1.00 0.76 H new ATOM 0 HB3 LEU A 113 -10.634 5.752 -12.817 1.00 0.76 H new ATOM 0 HG LEU A 113 -7.771 5.588 -11.826 1.00 1.55 H new ATOM 0 HD11 LEU A 113 -7.231 6.614 -13.999 1.00 2.27 H new ATOM 0 HD12 LEU A 113 -8.023 5.032 -14.194 1.00 2.27 H new ATOM 0 HD13 LEU A 113 -8.948 6.529 -14.461 1.00 2.27 H new ATOM 0 HD21 LEU A 113 -7.756 8.039 -12.056 1.00 2.39 H new ATOM 0 HD22 LEU A 113 -9.493 8.009 -12.442 1.00 2.39 H new ATOM 0 HD23 LEU A 113 -8.930 7.498 -10.833 1.00 2.39 H new ATOM 1354 N SER A 114 -11.590 3.318 -9.999 1.00 0.73 N ATOM 1355 CA SER A 114 -12.752 2.473 -9.776 1.00 0.92 C ATOM 1356 C SER A 114 -13.688 3.089 -8.733 1.00 0.93 C ATOM 1357 O SER A 114 -14.906 2.905 -8.789 1.00 1.27 O ATOM 1358 CB SER A 114 -12.290 1.084 -9.333 1.00 1.04 C ATOM 1359 OG SER A 114 -11.141 1.179 -8.505 1.00 1.66 O ATOM 0 H SER A 114 -10.726 2.953 -9.598 1.00 0.73 H new ATOM 0 HA SER A 114 -13.310 2.387 -10.708 1.00 0.92 H new ATOM 0 HB2 SER A 114 -13.093 0.583 -8.793 1.00 1.04 H new ATOM 0 HB3 SER A 114 -12.065 0.474 -10.208 1.00 1.04 H new ATOM 0 HG SER A 114 -10.861 0.281 -8.230 1.00 1.66 H new ATOM 1365 N GLY A 115 -13.117 3.831 -7.789 1.00 0.71 N ATOM 1366 CA GLY A 115 -13.919 4.482 -6.772 1.00 0.79 C ATOM 1367 C GLY A 115 -13.250 4.483 -5.413 1.00 0.78 C ATOM 1368 O GLY A 115 -12.103 4.913 -5.279 1.00 1.52 O ATOM 0 H GLY A 115 -12.113 3.992 -7.711 1.00 0.71 H new ATOM 0 HA2 GLY A 115 -14.119 5.510 -7.075 1.00 0.79 H new ATOM 0 HA3 GLY A 115 -14.883 3.979 -6.698 1.00 0.79 H new ATOM 1372 N ASP A 116 -13.963 3.984 -4.407 1.00 0.72 N ATOM 1373 CA ASP A 116 -13.476 3.998 -3.029 1.00 0.85 C ATOM 1374 C ASP A 116 -12.390 2.942 -2.825 1.00 0.80 C ATOM 1375 O ASP A 116 -12.634 1.842 -2.321 1.00 1.40 O ATOM 1376 CB ASP A 116 -14.633 3.787 -2.049 1.00 1.25 C ATOM 1377 CG ASP A 116 -14.258 4.139 -0.622 1.00 2.10 C ATOM 1378 OD1 ASP A 116 -14.235 3.228 0.235 1.00 2.63 O ATOM 1379 OD2 ASP A 116 -14.008 5.334 -0.351 1.00 2.79 O ATOM 0 H ASP A 116 -14.885 3.563 -4.521 1.00 0.72 H new ATOM 0 HA ASP A 116 -13.035 4.975 -2.832 1.00 0.85 H new ATOM 0 HB2 ASP A 116 -15.483 4.396 -2.359 1.00 1.25 H new ATOM 0 HB3 ASP A 116 -14.955 2.746 -2.090 1.00 1.25 H new ATOM 1384 N SER A 117 -11.198 3.291 -3.265 1.00 0.42 N ATOM 1385 CA SER A 117 -10.037 2.423 -3.216 1.00 0.29 C ATOM 1386 C SER A 117 -8.805 3.251 -3.527 1.00 0.22 C ATOM 1387 O SER A 117 -8.917 4.307 -4.148 1.00 0.25 O ATOM 1388 CB SER A 117 -10.193 1.281 -4.211 1.00 0.34 C ATOM 1389 OG SER A 117 -10.776 1.736 -5.421 1.00 0.44 O ATOM 0 H SER A 117 -11.005 4.205 -3.675 1.00 0.42 H new ATOM 0 HA SER A 117 -9.936 1.984 -2.223 1.00 0.29 H new ATOM 0 HB2 SER A 117 -9.219 0.838 -4.417 1.00 0.34 H new ATOM 0 HB3 SER A 117 -10.814 0.498 -3.776 1.00 0.34 H new ATOM 0 HG SER A 117 -10.864 0.985 -6.044 1.00 0.44 H new ATOM 1395 N TYR A 118 -7.650 2.807 -3.080 1.00 0.19 N ATOM 1396 CA TYR A 118 -6.417 3.564 -3.286 1.00 0.19 C ATOM 1397 C TYR A 118 -5.256 2.633 -3.622 1.00 0.20 C ATOM 1398 O TYR A 118 -5.105 1.575 -3.014 1.00 0.25 O ATOM 1399 CB TYR A 118 -6.075 4.387 -2.036 1.00 0.22 C ATOM 1400 CG TYR A 118 -7.229 5.171 -1.482 1.00 0.23 C ATOM 1401 CD1 TYR A 118 -7.953 4.697 -0.408 1.00 0.30 C ATOM 1402 CD2 TYR A 118 -7.596 6.378 -2.045 1.00 0.25 C ATOM 1403 CE1 TYR A 118 -9.021 5.407 0.102 1.00 0.35 C ATOM 1404 CE2 TYR A 118 -8.661 7.101 -1.546 1.00 0.30 C ATOM 1405 CZ TYR A 118 -9.345 6.630 -0.447 1.00 0.34 C ATOM 1406 OH TYR A 118 -10.440 7.317 0.023 1.00 0.42 O ATOM 0 H TYR A 118 -7.531 1.930 -2.573 1.00 0.19 H new ATOM 0 HA TYR A 118 -6.577 4.240 -4.126 1.00 0.19 H new ATOM 0 HB2 TYR A 118 -5.702 3.715 -1.263 1.00 0.22 H new ATOM 0 HB3 TYR A 118 -5.265 5.075 -2.278 1.00 0.22 H new ATOM 0 HD1 TYR A 118 -7.679 3.754 0.042 1.00 0.30 H new ATOM 0 HD2 TYR A 118 -7.041 6.762 -2.888 1.00 0.25 H new ATOM 0 HE1 TYR A 118 -9.598 5.009 0.924 1.00 0.35 H new ATOM 0 HE2 TYR A 118 -8.956 8.029 -2.014 1.00 0.30 H new ATOM 0 HH TYR A 118 -10.532 8.161 -0.467 1.00 0.42 H new ATOM 1416 N TRP A 119 -4.439 3.022 -4.593 1.00 0.20 N ATOM 1417 CA TRP A 119 -3.292 2.231 -4.975 1.00 0.22 C ATOM 1418 C TRP A 119 -2.115 2.519 -4.070 1.00 0.25 C ATOM 1419 O TRP A 119 -2.072 3.540 -3.385 1.00 0.27 O ATOM 1420 CB TRP A 119 -2.877 2.549 -6.403 1.00 0.25 C ATOM 1421 CG TRP A 119 -3.836 2.100 -7.452 1.00 0.26 C ATOM 1422 CD1 TRP A 119 -5.079 2.596 -7.715 1.00 0.27 C ATOM 1423 CD2 TRP A 119 -3.598 1.075 -8.409 1.00 0.30 C ATOM 1424 NE1 TRP A 119 -5.637 1.915 -8.775 1.00 0.32 N ATOM 1425 CE2 TRP A 119 -4.742 0.974 -9.215 1.00 0.33 C ATOM 1426 CE3 TRP A 119 -2.524 0.224 -8.651 1.00 0.34 C ATOM 1427 CZ2 TRP A 119 -4.838 0.051 -10.252 1.00 0.40 C ATOM 1428 CZ3 TRP A 119 -2.614 -0.686 -9.671 1.00 0.40 C ATOM 1429 CH2 TRP A 119 -3.764 -0.772 -10.467 1.00 0.42 C ATOM 0 H TRP A 119 -4.556 3.883 -5.127 1.00 0.20 H new ATOM 0 HA TRP A 119 -3.577 1.182 -4.891 1.00 0.22 H new ATOM 0 HB2 TRP A 119 -2.740 3.627 -6.494 1.00 0.25 H new ATOM 0 HB3 TRP A 119 -1.909 2.087 -6.595 1.00 0.25 H new ATOM 0 HD1 TRP A 119 -5.554 3.401 -7.174 1.00 0.27 H new ATOM 0 HE1 TRP A 119 -6.563 2.083 -9.168 1.00 0.32 H new ATOM 0 HE3 TRP A 119 -1.633 0.280 -8.044 1.00 0.34 H new ATOM 0 HZ2 TRP A 119 -5.725 -0.014 -10.864 1.00 0.40 H new ATOM 0 HZ3 TRP A 119 -1.784 -1.349 -9.865 1.00 0.40 H new ATOM 0 HH2 TRP A 119 -3.804 -1.500 -11.264 1.00 0.42 H new ATOM 1440 N VAL A 120 -1.159 1.615 -4.105 1.00 0.28 N ATOM 1441 CA VAL A 120 0.074 1.733 -3.343 1.00 0.32 C ATOM 1442 C VAL A 120 1.259 1.323 -4.216 1.00 0.34 C ATOM 1443 O VAL A 120 1.555 0.138 -4.366 1.00 0.43 O ATOM 1444 CB VAL A 120 0.060 0.950 -2.266 1.00 0.38 C ATOM 1445 CG1 VAL A 120 1.338 1.132 -1.449 1.00 0.56 C ATOM 1446 CG2 VAL A 120 -1.156 1.197 -1.386 1.00 0.62 C ATOM 0 H VAL A 120 -1.213 0.767 -4.669 1.00 0.28 H new ATOM 0 HA VAL A 120 0.166 2.772 -3.025 1.00 0.32 H new ATOM 0 HB VAL A 120 0.004 -0.077 -2.626 1.00 0.38 H new ATOM 0 HG11 VAL A 120 1.306 0.483 -0.574 1.00 0.56 H new ATOM 0 HG12 VAL A 120 2.201 0.872 -2.062 1.00 0.56 H new ATOM 0 HG13 VAL A 120 1.420 2.170 -1.128 1.00 0.56 H new ATOM 0 HG21 VAL A 120 -1.120 0.534 -0.522 1.00 0.62 H new ATOM 0 HG22 VAL A 120 -1.156 2.233 -1.049 1.00 0.62 H new ATOM 0 HG23 VAL A 120 -2.064 1.001 -1.956 1.00 0.62 H new ATOM 1456 N PHE A 121 1.932 2.298 -4.803 1.00 0.34 N ATOM 1457 CA PHE A 121 3.165 2.021 -5.527 1.00 0.42 C ATOM 1458 C PHE A 121 4.362 2.373 -4.649 1.00 0.40 C ATOM 1459 O PHE A 121 4.694 3.550 -4.490 1.00 0.49 O ATOM 1460 CB PHE A 121 3.256 2.829 -6.821 1.00 0.61 C ATOM 1461 CG PHE A 121 2.128 2.604 -7.786 1.00 0.49 C ATOM 1462 CD1 PHE A 121 1.037 3.455 -7.810 1.00 0.52 C ATOM 1463 CD2 PHE A 121 2.167 1.548 -8.681 1.00 0.98 C ATOM 1464 CE1 PHE A 121 0.005 3.256 -8.705 1.00 0.96 C ATOM 1465 CE2 PHE A 121 1.137 1.341 -9.577 1.00 1.49 C ATOM 1466 CZ PHE A 121 0.054 2.197 -9.589 1.00 1.45 C ATOM 0 H PHE A 121 1.651 3.279 -4.794 1.00 0.34 H new ATOM 0 HA PHE A 121 3.168 0.961 -5.779 1.00 0.42 H new ATOM 0 HB2 PHE A 121 3.293 3.889 -6.569 1.00 0.61 H new ATOM 0 HB3 PHE A 121 4.195 2.586 -7.319 1.00 0.61 H new ATOM 0 HD1 PHE A 121 0.992 4.285 -7.120 1.00 0.52 H new ATOM 0 HD2 PHE A 121 3.014 0.878 -8.678 1.00 0.98 H new ATOM 0 HE1 PHE A 121 -0.840 3.928 -8.714 1.00 0.96 H new ATOM 0 HE2 PHE A 121 1.179 0.511 -10.267 1.00 1.49 H new ATOM 0 HZ PHE A 121 -0.753 2.038 -10.289 1.00 1.45 H new ATOM 1476 N VAL A 122 4.990 1.363 -4.074 1.00 0.49 N ATOM 1477 CA VAL A 122 6.196 1.562 -3.281 1.00 0.61 C ATOM 1478 C VAL A 122 7.434 1.271 -4.129 1.00 0.73 C ATOM 1479 O VAL A 122 7.746 0.121 -4.439 1.00 0.95 O ATOM 1480 CB VAL A 122 6.206 0.821 -2.170 1.00 0.77 C ATOM 1481 CG1 VAL A 122 5.287 1.438 -1.124 1.00 1.61 C ATOM 1482 CG2 VAL A 122 5.809 -0.632 -2.423 1.00 1.52 C ATOM 0 H VAL A 122 4.685 0.392 -4.140 1.00 0.49 H new ATOM 0 HA VAL A 122 6.208 2.605 -2.965 1.00 0.61 H new ATOM 0 HB VAL A 122 7.233 0.811 -1.804 1.00 0.77 H new ATOM 0 HG11 VAL A 122 5.301 0.827 -0.221 1.00 1.61 H new ATOM 0 HG12 VAL A 122 5.631 2.445 -0.886 1.00 1.61 H new ATOM 0 HG13 VAL A 122 4.270 1.484 -1.515 1.00 1.61 H new ATOM 0 HG21 VAL A 122 5.835 -1.185 -1.484 1.00 1.52 H new ATOM 0 HG22 VAL A 122 4.801 -0.667 -2.837 1.00 1.52 H new ATOM 0 HG23 VAL A 122 6.507 -1.082 -3.129 1.00 1.52 H new ATOM 1492 N LYS A 123 8.142 2.317 -4.518 1.00 0.76 N ATOM 1493 CA LYS A 123 9.236 2.163 -5.449 1.00 0.97 C ATOM 1494 C LYS A 123 10.565 2.377 -4.756 1.00 1.04 C ATOM 1495 O LYS A 123 10.894 3.494 -4.362 1.00 1.02 O ATOM 1496 CB LYS A 123 9.092 3.140 -6.616 1.00 1.11 C ATOM 1497 CG LYS A 123 7.850 2.906 -7.462 1.00 1.66 C ATOM 1498 CD LYS A 123 7.740 3.943 -8.567 1.00 2.03 C ATOM 1499 CE LYS A 123 6.500 3.742 -9.424 1.00 2.74 C ATOM 1500 NZ LYS A 123 6.558 2.486 -10.216 1.00 3.45 N ATOM 0 H LYS A 123 7.978 3.274 -4.204 1.00 0.76 H new ATOM 0 HA LYS A 123 9.206 1.145 -5.838 1.00 0.97 H new ATOM 0 HB2 LYS A 123 9.068 4.157 -6.225 1.00 1.11 H new ATOM 0 HB3 LYS A 123 9.974 3.064 -7.252 1.00 1.11 H new ATOM 0 HG2 LYS A 123 7.885 1.908 -7.898 1.00 1.66 H new ATOM 0 HG3 LYS A 123 6.963 2.947 -6.830 1.00 1.66 H new ATOM 0 HD2 LYS A 123 7.717 4.940 -8.126 1.00 2.03 H new ATOM 0 HD3 LYS A 123 8.627 3.894 -9.198 1.00 2.03 H new ATOM 0 HE2 LYS A 123 5.618 3.725 -8.784 1.00 2.74 H new ATOM 0 HE3 LYS A 123 6.387 4.590 -10.100 1.00 2.74 H new ATOM 0 HZ1 LYS A 123 5.741 2.443 -10.858 1.00 3.45 H new ATOM 0 HZ2 LYS A 123 7.437 2.466 -10.772 1.00 3.45 H new ATOM 0 HZ3 LYS A 123 6.536 1.669 -9.573 1.00 3.45 H new