USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 414 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 90 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 109 MET CE :methyl 138:sc= -2.25! (180deg=-4.17!) USER MOD Set 2.1: A 85 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 87 ASN : amide:sc= 0.249 X(o=0.25,f=-0.16) USER MOD Single : A 32 GLN : amide:sc= -1.73 K(o=-1.7,f=-4.1!) USER MOD Single : A 38 ASN : amide:sc= 2.09 K(o=2.1,f=-0.25) USER MOD Single : A 41 GLN : amide:sc= 0.0159 K(o=0.016,f=-2.8!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.0816 X(o=-0.082,f=0) USER MOD Single : A 78 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0392) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.433 X(o=-0.43,f=-0.45) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ -130:sc= 1.25 (180deg=0.00144) USER MOD Single : A 108 HIS : no HD1:sc= -2.46! K(o=-2.5!,f=-0.98) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -160:sc= 1.26 (180deg=1.18) USER MOD Single : A 114 SER OG : rot -39:sc= 0.386 USER MOD Single : A 117 SER OG : rot -100:sc= -2.57! USER MOD Single : A 118 TYR OH : rot 180:sc= -1.9! USER MOD Single : A 123 LYS NZ :NH3+ 178:sc= 1.25 (180deg=1.19) USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 29 6.991 -3.183 -6.173 1.00 1.43 N ATOM 51 CA GLY A 29 6.191 -2.355 -5.302 1.00 0.99 C ATOM 52 C GLY A 29 4.999 -1.763 -6.014 1.00 0.78 C ATOM 53 O GLY A 29 4.980 -0.572 -6.317 1.00 1.00 O ATOM 0 HA2 GLY A 29 5.848 -2.948 -4.454 1.00 0.99 H new ATOM 0 HA3 GLY A 29 6.808 -1.551 -4.900 1.00 0.99 H new ATOM 57 N ALA A 30 4.011 -2.590 -6.298 1.00 0.70 N ATOM 58 CA ALA A 30 2.799 -2.125 -6.948 1.00 0.54 C ATOM 59 C ALA A 30 1.596 -2.926 -6.480 1.00 0.49 C ATOM 60 O ALA A 30 1.386 -4.056 -6.907 1.00 0.60 O ATOM 61 CB ALA A 30 2.938 -2.217 -8.460 1.00 0.68 C ATOM 0 H ALA A 30 4.023 -3.588 -6.089 1.00 0.70 H new ATOM 0 HA ALA A 30 2.645 -1.081 -6.674 1.00 0.54 H new ATOM 0 HB1 ALA A 30 2.021 -1.865 -8.932 1.00 0.68 H new ATOM 0 HB2 ALA A 30 3.775 -1.599 -8.787 1.00 0.68 H new ATOM 0 HB3 ALA A 30 3.118 -3.253 -8.746 1.00 0.68 H new ATOM 67 N ILE A 31 0.812 -2.345 -5.595 1.00 0.40 N ATOM 68 CA ILE A 31 -0.375 -3.002 -5.087 1.00 0.39 C ATOM 69 C ILE A 31 -1.570 -2.064 -5.136 1.00 0.35 C ATOM 70 O ILE A 31 -1.430 -0.854 -4.975 1.00 0.36 O ATOM 71 CB ILE A 31 -0.196 -3.483 -3.860 1.00 0.46 C ATOM 72 CG1 ILE A 31 -1.449 -4.168 -3.319 1.00 0.48 C ATOM 73 CG2 ILE A 31 0.306 -2.406 -2.899 1.00 0.52 C ATOM 74 CD1 ILE A 31 -1.345 -4.590 -1.870 1.00 0.90 C ATOM 0 H ILE A 31 0.977 -1.414 -5.211 1.00 0.40 H new ATOM 0 HA ILE A 31 -0.577 -3.854 -5.736 1.00 0.39 H new ATOM 0 HB ILE A 31 0.578 -4.246 -3.935 1.00 0.46 H new ATOM 0 HG12 ILE A 31 -2.296 -3.491 -3.429 1.00 0.48 H new ATOM 0 HG13 ILE A 31 -1.661 -5.047 -3.928 1.00 0.48 H new ATOM 0 HG21 ILE A 31 0.440 -2.837 -1.907 1.00 0.52 H new ATOM 0 HG22 ILE A 31 1.259 -2.015 -3.256 1.00 0.52 H new ATOM 0 HG23 ILE A 31 -0.422 -1.597 -2.847 1.00 0.52 H new ATOM 0 HD11 ILE A 31 -2.275 -5.068 -1.563 1.00 0.90 H new ATOM 0 HD12 ILE A 31 -0.520 -5.293 -1.754 1.00 0.90 H new ATOM 0 HD13 ILE A 31 -1.165 -3.713 -1.248 1.00 0.90 H new ATOM 86 N GLN A 32 -2.715 -2.608 -5.483 1.00 0.38 N ATOM 87 CA GLN A 32 -3.934 -1.841 -5.527 1.00 0.40 C ATOM 88 C GLN A 32 -4.878 -2.377 -4.460 1.00 0.37 C ATOM 89 O GLN A 32 -5.174 -3.579 -4.414 1.00 0.44 O ATOM 90 CB GLN A 32 -4.526 -1.896 -6.949 1.00 0.50 C ATOM 91 CG GLN A 32 -5.866 -2.589 -7.085 1.00 0.55 C ATOM 92 CD GLN A 32 -7.045 -1.684 -6.761 1.00 1.11 C ATOM 93 OE1 GLN A 32 -7.500 -1.611 -5.622 1.00 2.22 O ATOM 94 NE2 GLN A 32 -7.549 -0.989 -7.766 1.00 0.93 N ATOM 0 H GLN A 32 -2.825 -3.589 -5.741 1.00 0.38 H new ATOM 0 HA GLN A 32 -3.753 -0.789 -5.308 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -4.628 -0.876 -7.318 1.00 0.50 H new ATOM 0 HB3 GLN A 32 -3.811 -2.400 -7.599 1.00 0.50 H new ATOM 0 HG2 GLN A 32 -5.973 -2.963 -8.103 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -5.889 -3.455 -6.423 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -7.145 -1.075 -8.699 1.00 0.93 H new ATOM 0 HE22 GLN A 32 -8.342 -0.367 -7.609 1.00 0.93 H new ATOM 103 N LEU A 33 -5.297 -1.500 -3.570 1.00 0.34 N ATOM 104 CA LEU A 33 -6.154 -1.900 -2.465 1.00 0.36 C ATOM 105 C LEU A 33 -7.276 -0.906 -2.259 1.00 0.35 C ATOM 106 O LEU A 33 -7.243 0.201 -2.782 1.00 0.43 O ATOM 107 CB LEU A 33 -5.316 -2.081 -1.190 1.00 0.45 C ATOM 108 CG LEU A 33 -4.428 -0.895 -0.781 1.00 0.46 C ATOM 109 CD1 LEU A 33 -5.230 0.191 -0.079 1.00 0.72 C ATOM 110 CD2 LEU A 33 -3.290 -1.372 0.108 1.00 0.71 C ATOM 0 H LEU A 33 -5.061 -0.508 -3.587 1.00 0.34 H new ATOM 0 HA LEU A 33 -6.616 -2.857 -2.707 1.00 0.36 H new ATOM 0 HB2 LEU A 33 -5.993 -2.301 -0.365 1.00 0.45 H new ATOM 0 HB3 LEU A 33 -4.679 -2.955 -1.321 1.00 0.45 H new ATOM 0 HG LEU A 33 -4.012 -0.462 -1.691 1.00 0.46 H new ATOM 0 HD11 LEU A 33 -4.568 1.013 0.195 1.00 0.72 H new ATOM 0 HD12 LEU A 33 -6.008 0.559 -0.748 1.00 0.72 H new ATOM 0 HD13 LEU A 33 -5.690 -0.220 0.820 1.00 0.72 H new ATOM 0 HD21 LEU A 33 -2.668 -0.522 0.391 1.00 0.71 H new ATOM 0 HD22 LEU A 33 -3.699 -1.837 1.005 1.00 0.71 H new ATOM 0 HD23 LEU A 33 -2.685 -2.099 -0.434 1.00 0.71 H new ATOM 122 N ASP A 34 -8.281 -1.317 -1.522 1.00 0.35 N ATOM 123 CA ASP A 34 -9.396 -0.431 -1.213 1.00 0.45 C ATOM 124 C ASP A 34 -9.231 0.191 0.161 1.00 0.53 C ATOM 125 O ASP A 34 -8.568 -0.365 1.037 1.00 0.58 O ATOM 126 CB ASP A 34 -10.748 -1.147 -1.333 1.00 0.55 C ATOM 127 CG ASP A 34 -10.875 -2.376 -0.460 1.00 0.65 C ATOM 128 OD1 ASP A 34 -10.986 -2.231 0.774 1.00 0.88 O ATOM 129 OD2 ASP A 34 -10.903 -3.492 -1.013 1.00 1.15 O ATOM 0 H ASP A 34 -8.357 -2.253 -1.124 1.00 0.35 H new ATOM 0 HA ASP A 34 -9.387 0.369 -1.954 1.00 0.45 H new ATOM 0 HB2 ASP A 34 -11.542 -0.447 -1.074 1.00 0.55 H new ATOM 0 HB3 ASP A 34 -10.904 -1.435 -2.373 1.00 0.55 H new ATOM 134 N GLY A 35 -9.837 1.360 0.328 1.00 0.67 N ATOM 135 CA GLY A 35 -9.695 2.120 1.560 1.00 0.84 C ATOM 136 C GLY A 35 -10.420 1.483 2.723 1.00 0.85 C ATOM 137 O GLY A 35 -10.166 1.817 3.882 1.00 1.20 O ATOM 0 H GLY A 35 -10.431 1.801 -0.375 1.00 0.67 H new ATOM 0 HA2 GLY A 35 -8.637 2.215 1.804 1.00 0.84 H new ATOM 0 HA3 GLY A 35 -10.078 3.129 1.406 1.00 0.84 H new ATOM 141 N ASP A 36 -11.331 0.578 2.413 1.00 0.69 N ATOM 142 CA ASP A 36 -12.046 -0.173 3.432 1.00 0.83 C ATOM 143 C ASP A 36 -11.081 -1.061 4.215 1.00 0.83 C ATOM 144 O ASP A 36 -11.196 -1.202 5.435 1.00 1.10 O ATOM 145 CB ASP A 36 -13.143 -1.010 2.775 1.00 0.89 C ATOM 146 CG ASP A 36 -13.877 -1.900 3.764 1.00 1.24 C ATOM 147 OD1 ASP A 36 -13.720 -3.137 3.685 1.00 1.81 O ATOM 148 OD2 ASP A 36 -14.587 -1.370 4.647 1.00 1.77 O ATOM 0 H ASP A 36 -11.595 0.343 1.456 1.00 0.69 H new ATOM 0 HA ASP A 36 -12.507 0.522 4.134 1.00 0.83 H new ATOM 0 HB2 ASP A 36 -13.859 -0.346 2.290 1.00 0.89 H new ATOM 0 HB3 ASP A 36 -12.702 -1.629 1.994 1.00 0.89 H new ATOM 153 N GLY A 37 -10.123 -1.645 3.506 1.00 0.67 N ATOM 154 CA GLY A 37 -9.084 -2.414 4.159 1.00 0.81 C ATOM 155 C GLY A 37 -8.883 -3.780 3.535 1.00 0.78 C ATOM 156 O GLY A 37 -8.643 -4.762 4.243 1.00 1.05 O ATOM 0 H GLY A 37 -10.048 -1.599 2.490 1.00 0.67 H new ATOM 0 HA2 GLY A 37 -8.147 -1.859 4.117 1.00 0.81 H new ATOM 0 HA3 GLY A 37 -9.336 -2.535 5.213 1.00 0.81 H new ATOM 160 N ASN A 38 -8.979 -3.850 2.212 1.00 0.61 N ATOM 161 CA ASN A 38 -8.824 -5.113 1.497 1.00 0.73 C ATOM 162 C ASN A 38 -7.913 -4.921 0.295 1.00 0.57 C ATOM 163 O ASN A 38 -7.878 -3.845 -0.301 1.00 0.49 O ATOM 164 CB ASN A 38 -10.183 -5.637 1.009 1.00 0.95 C ATOM 165 CG ASN A 38 -11.276 -5.542 2.054 1.00 1.13 C ATOM 166 OD1 ASN A 38 -11.550 -6.495 2.784 1.00 1.57 O ATOM 167 ND2 ASN A 38 -11.897 -4.377 2.136 1.00 1.38 N ATOM 0 H ASN A 38 -9.164 -3.046 1.612 1.00 0.61 H new ATOM 0 HA ASN A 38 -8.388 -5.837 2.185 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -10.485 -5.074 0.126 1.00 0.95 H new ATOM 0 HB3 ASN A 38 -10.074 -6.677 0.702 1.00 0.95 H new ATOM 0 HD21 ASN A 38 -12.636 -4.241 2.825 1.00 1.38 H new ATOM 0 HD22 ASN A 38 -11.636 -3.615 1.510 1.00 1.38 H new ATOM 174 N ILE A 39 -7.165 -5.955 -0.053 1.00 0.65 N ATOM 175 CA ILE A 39 -6.352 -5.919 -1.254 1.00 0.57 C ATOM 176 C ILE A 39 -7.176 -6.381 -2.455 1.00 0.59 C ATOM 177 O ILE A 39 -7.932 -7.349 -2.357 1.00 0.77 O ATOM 178 CB ILE A 39 -5.264 -6.675 -1.123 1.00 0.62 C ATOM 179 CG1 ILE A 39 -4.367 -6.128 -0.026 1.00 0.72 C ATOM 180 CG2 ILE A 39 -4.483 -6.758 -2.434 1.00 0.61 C ATOM 181 CD1 ILE A 39 -3.162 -6.997 0.267 1.00 1.18 C ATOM 0 H ILE A 39 -7.105 -6.825 0.477 1.00 0.65 H new ATOM 0 HA ILE A 39 -6.028 -4.891 -1.415 1.00 0.57 H new ATOM 0 HB ILE A 39 -5.591 -7.679 -0.854 1.00 0.62 H new ATOM 0 HG12 ILE A 39 -4.025 -5.133 -0.311 1.00 0.72 H new ATOM 0 HG13 ILE A 39 -4.952 -6.015 0.887 1.00 0.72 H new ATOM 0 HG21 ILE A 39 -3.601 -7.382 -2.293 1.00 0.61 H new ATOM 0 HG22 ILE A 39 -5.116 -7.193 -3.208 1.00 0.61 H new ATOM 0 HG23 ILE A 39 -4.175 -5.758 -2.738 1.00 0.61 H new ATOM 0 HD11 ILE A 39 -2.570 -6.542 1.061 1.00 1.18 H new ATOM 0 HD12 ILE A 39 -3.495 -7.985 0.584 1.00 1.18 H new ATOM 0 HD13 ILE A 39 -2.553 -7.090 -0.632 1.00 1.18 H new ATOM 193 N LEU A 40 -7.079 -5.652 -3.563 1.00 0.51 N ATOM 194 CA LEU A 40 -7.815 -6.004 -4.770 1.00 0.61 C ATOM 195 C LEU A 40 -6.906 -6.696 -5.777 1.00 0.60 C ATOM 196 O LEU A 40 -7.306 -7.655 -6.431 1.00 0.72 O ATOM 197 CB LEU A 40 -8.428 -4.761 -5.408 1.00 0.66 C ATOM 198 CG LEU A 40 -9.329 -5.038 -6.614 1.00 1.07 C ATOM 199 CD1 LEU A 40 -10.509 -5.909 -6.207 1.00 1.56 C ATOM 200 CD2 LEU A 40 -9.816 -3.737 -7.233 1.00 1.54 C ATOM 0 H LEU A 40 -6.500 -4.817 -3.649 1.00 0.51 H new ATOM 0 HA LEU A 40 -8.613 -6.690 -4.484 1.00 0.61 H new ATOM 0 HB2 LEU A 40 -9.008 -4.230 -4.653 1.00 0.66 H new ATOM 0 HB3 LEU A 40 -7.623 -4.094 -5.719 1.00 0.66 H new ATOM 0 HG LEU A 40 -8.744 -5.574 -7.362 1.00 1.07 H new ATOM 0 HD11 LEU A 40 -11.140 -6.096 -7.076 1.00 1.56 H new ATOM 0 HD12 LEU A 40 -10.143 -6.857 -5.813 1.00 1.56 H new ATOM 0 HD13 LEU A 40 -11.091 -5.398 -5.440 1.00 1.56 H new ATOM 0 HD21 LEU A 40 -10.455 -3.958 -8.088 1.00 1.54 H new ATOM 0 HD22 LEU A 40 -10.383 -3.172 -6.493 1.00 1.54 H new ATOM 0 HD23 LEU A 40 -8.960 -3.148 -7.562 1.00 1.54 H new ATOM 212 N GLN A 41 -5.688 -6.189 -5.915 1.00 0.50 N ATOM 213 CA GLN A 41 -4.712 -6.797 -6.815 1.00 0.55 C ATOM 214 C GLN A 41 -3.290 -6.394 -6.440 1.00 0.46 C ATOM 215 O GLN A 41 -3.041 -5.264 -6.024 1.00 0.46 O ATOM 216 CB GLN A 41 -4.994 -6.389 -8.263 1.00 0.67 C ATOM 217 CG GLN A 41 -4.060 -7.042 -9.272 1.00 1.08 C ATOM 218 CD GLN A 41 -4.251 -8.544 -9.355 1.00 1.73 C ATOM 219 OE1 GLN A 41 -3.613 -9.310 -8.631 1.00 2.41 O ATOM 220 NE2 GLN A 41 -5.127 -8.972 -10.245 1.00 2.37 N ATOM 0 H GLN A 41 -5.352 -5.363 -5.419 1.00 0.50 H new ATOM 0 HA GLN A 41 -4.803 -7.879 -6.719 1.00 0.55 H new ATOM 0 HB2 GLN A 41 -6.023 -6.649 -8.511 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -4.909 -5.306 -8.350 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -4.229 -6.603 -10.255 1.00 1.08 H new ATOM 0 HG3 GLN A 41 -3.027 -6.825 -8.999 1.00 1.08 H new ATOM 0 HE21 GLN A 41 -5.634 -8.303 -10.824 1.00 2.37 H new ATOM 0 HE22 GLN A 41 -5.297 -9.972 -10.353 1.00 2.37 H new ATOM 229 N TYR A 42 -2.363 -7.326 -6.590 1.00 0.57 N ATOM 230 CA TYR A 42 -0.955 -7.039 -6.384 1.00 0.58 C ATOM 231 C TYR A 42 -0.230 -7.184 -7.715 1.00 0.65 C ATOM 232 O TYR A 42 -0.166 -8.276 -8.280 1.00 0.79 O ATOM 233 CB TYR A 42 -0.357 -7.984 -5.339 1.00 0.71 C ATOM 234 CG TYR A 42 1.004 -7.552 -4.837 1.00 0.82 C ATOM 235 CD1 TYR A 42 2.172 -8.054 -5.396 1.00 1.09 C ATOM 236 CD2 TYR A 42 1.116 -6.635 -3.800 1.00 0.82 C ATOM 237 CE1 TYR A 42 3.412 -7.654 -4.936 1.00 1.26 C ATOM 238 CE2 TYR A 42 2.353 -6.230 -3.335 1.00 1.02 C ATOM 239 CZ TYR A 42 3.498 -6.743 -3.906 1.00 1.21 C ATOM 240 OH TYR A 42 4.732 -6.341 -3.446 1.00 1.42 O ATOM 0 H TYR A 42 -2.562 -8.291 -6.855 1.00 0.57 H new ATOM 0 HA TYR A 42 -0.840 -6.021 -6.011 1.00 0.58 H new ATOM 0 HB2 TYR A 42 -1.041 -8.056 -4.493 1.00 0.71 H new ATOM 0 HB3 TYR A 42 -0.276 -8.982 -5.769 1.00 0.71 H new ATOM 0 HD1 TYR A 42 2.110 -8.769 -6.203 1.00 1.09 H new ATOM 0 HD2 TYR A 42 0.221 -6.232 -3.349 1.00 0.82 H new ATOM 0 HE1 TYR A 42 4.310 -8.054 -5.382 1.00 1.26 H new ATOM 0 HE2 TYR A 42 2.422 -5.515 -2.528 1.00 1.02 H new ATOM 0 HH TYR A 42 4.615 -5.695 -2.718 1.00 1.42 H new ATOM 250 N ASN A 43 0.299 -6.084 -8.220 1.00 0.63 N ATOM 251 CA ASN A 43 0.896 -6.077 -9.546 1.00 0.75 C ATOM 252 C ASN A 43 2.381 -6.381 -9.466 1.00 0.92 C ATOM 253 O ASN A 43 3.205 -5.486 -9.291 1.00 1.02 O ATOM 254 CB ASN A 43 0.670 -4.730 -10.246 1.00 0.78 C ATOM 255 CG ASN A 43 -0.800 -4.387 -10.396 1.00 0.73 C ATOM 256 OD1 ASN A 43 -1.449 -4.775 -11.367 1.00 1.21 O ATOM 257 ND2 ASN A 43 -1.333 -3.646 -9.436 1.00 0.88 N ATOM 0 H ASN A 43 0.328 -5.187 -7.736 1.00 0.63 H new ATOM 0 HA ASN A 43 0.409 -6.855 -10.134 1.00 0.75 H new ATOM 0 HB2 ASN A 43 1.166 -3.943 -9.679 1.00 0.78 H new ATOM 0 HB3 ASN A 43 1.135 -4.755 -11.231 1.00 0.78 H new ATOM 0 HD21 ASN A 43 -2.316 -3.377 -9.486 1.00 0.88 H new ATOM 0 HD22 ASN A 43 -0.761 -3.345 -8.647 1.00 0.88 H new ATOM 756 N GLY A 77 1.147 7.036 3.642 1.00 3.20 N ATOM 757 CA GLY A 77 1.402 8.445 3.452 1.00 2.71 C ATOM 758 C GLY A 77 0.173 9.247 3.797 1.00 1.94 C ATOM 759 O GLY A 77 -0.504 9.768 2.908 1.00 2.44 O ATOM 0 HA2 GLY A 77 2.237 8.759 4.078 1.00 2.71 H new ATOM 0 HA3 GLY A 77 1.690 8.634 2.418 1.00 2.71 H new ATOM 763 N LYS A 78 -0.127 9.309 5.098 1.00 1.39 N ATOM 764 CA LYS A 78 -1.353 9.931 5.599 1.00 1.29 C ATOM 765 C LYS A 78 -2.572 9.119 5.170 1.00 1.03 C ATOM 766 O LYS A 78 -3.646 9.670 4.998 1.00 1.02 O ATOM 767 CB LYS A 78 -1.502 11.379 5.097 1.00 2.10 C ATOM 768 CG LYS A 78 -0.454 12.349 5.623 1.00 2.61 C ATOM 769 CD LYS A 78 -0.572 12.555 7.125 1.00 3.18 C ATOM 770 CE LYS A 78 0.220 13.771 7.588 1.00 3.78 C ATOM 771 NZ LYS A 78 1.666 13.674 7.247 1.00 4.14 N ATOM 0 H LYS A 78 0.473 8.930 5.831 1.00 1.39 H new ATOM 0 HA LYS A 78 -1.287 9.950 6.687 1.00 1.29 H new ATOM 0 HB2 LYS A 78 -1.460 11.377 4.008 1.00 2.10 H new ATOM 0 HB3 LYS A 78 -2.489 11.746 5.377 1.00 2.10 H new ATOM 0 HG2 LYS A 78 0.541 11.972 5.386 1.00 2.61 H new ATOM 0 HG3 LYS A 78 -0.561 13.308 5.116 1.00 2.61 H new ATOM 0 HD2 LYS A 78 -1.621 12.679 7.395 1.00 3.18 H new ATOM 0 HD3 LYS A 78 -0.212 11.667 7.644 1.00 3.18 H new ATOM 0 HE2 LYS A 78 -0.198 14.668 7.131 1.00 3.78 H new ATOM 0 HE3 LYS A 78 0.111 13.882 8.667 1.00 3.78 H new ATOM 0 HZ1 LYS A 78 2.182 14.455 7.699 1.00 4.14 H new ATOM 0 HZ2 LYS A 78 2.043 12.767 7.588 1.00 4.14 H new ATOM 0 HZ3 LYS A 78 1.784 13.732 6.215 1.00 4.14 H new ATOM 785 N PHE A 79 -2.404 7.803 5.049 1.00 0.95 N ATOM 786 CA PHE A 79 -3.443 6.917 4.505 1.00 0.77 C ATOM 787 C PHE A 79 -4.815 7.177 5.135 1.00 0.70 C ATOM 788 O PHE A 79 -5.840 7.145 4.429 1.00 0.64 O ATOM 789 CB PHE A 79 -3.050 5.450 4.706 1.00 0.88 C ATOM 790 CG PHE A 79 -3.968 4.473 4.026 1.00 0.79 C ATOM 791 CD1 PHE A 79 -4.969 3.829 4.737 1.00 0.86 C ATOM 792 CD2 PHE A 79 -3.831 4.201 2.674 1.00 0.78 C ATOM 793 CE1 PHE A 79 -5.814 2.932 4.113 1.00 0.85 C ATOM 794 CE2 PHE A 79 -4.673 3.305 2.043 1.00 0.84 C ATOM 795 CZ PHE A 79 -5.667 2.669 2.764 1.00 0.82 C ATOM 0 H PHE A 79 -1.549 7.318 5.323 1.00 0.95 H new ATOM 0 HA PHE A 79 -3.522 7.133 3.440 1.00 0.77 H new ATOM 0 HB2 PHE A 79 -2.037 5.301 4.333 1.00 0.88 H new ATOM 0 HB3 PHE A 79 -3.031 5.232 5.774 1.00 0.88 H new ATOM 0 HD1 PHE A 79 -5.089 4.031 5.791 1.00 0.86 H new ATOM 0 HD2 PHE A 79 -3.057 4.695 2.106 1.00 0.78 H new ATOM 0 HE1 PHE A 79 -6.589 2.436 4.679 1.00 0.85 H new ATOM 0 HE2 PHE A 79 -4.555 3.102 0.989 1.00 0.84 H new ATOM 0 HZ PHE A 79 -6.327 1.968 2.274 1.00 0.82 H new ATOM 805 N LYS A 80 -4.823 7.487 6.442 1.00 0.82 N ATOM 806 CA LYS A 80 -6.077 7.699 7.162 1.00 0.89 C ATOM 807 C LYS A 80 -6.725 8.996 6.705 1.00 0.81 C ATOM 808 O LYS A 80 -7.940 9.076 6.519 1.00 0.87 O ATOM 809 CB LYS A 80 -5.843 7.752 8.674 1.00 1.12 C ATOM 810 CG LYS A 80 -5.482 6.417 9.307 1.00 1.66 C ATOM 811 CD LYS A 80 -5.357 6.553 10.815 1.00 2.17 C ATOM 812 CE LYS A 80 -5.216 5.204 11.504 1.00 2.87 C ATOM 813 NZ LYS A 80 -5.197 5.351 12.983 1.00 3.48 N ATOM 0 H LYS A 80 -3.983 7.594 7.011 1.00 0.82 H new ATOM 0 HA LYS A 80 -6.737 6.860 6.942 1.00 0.89 H new ATOM 0 HB2 LYS A 80 -5.044 8.464 8.880 1.00 1.12 H new ATOM 0 HB3 LYS A 80 -6.743 8.135 9.154 1.00 1.12 H new ATOM 0 HG2 LYS A 80 -6.245 5.677 9.066 1.00 1.66 H new ATOM 0 HG3 LYS A 80 -4.542 6.054 8.891 1.00 1.66 H new ATOM 0 HD2 LYS A 80 -4.492 7.172 11.052 1.00 2.17 H new ATOM 0 HD3 LYS A 80 -6.234 7.069 11.206 1.00 2.17 H new ATOM 0 HE2 LYS A 80 -6.042 4.556 11.212 1.00 2.87 H new ATOM 0 HE3 LYS A 80 -4.298 4.719 11.173 1.00 2.87 H new ATOM 0 HZ1 LYS A 80 -5.100 4.414 13.424 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -4.394 5.950 13.262 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -6.084 5.792 13.299 1.00 3.48 H new ATOM 827 N GLU A 81 -5.890 9.998 6.497 1.00 0.78 N ATOM 828 CA GLU A 81 -6.349 11.303 6.073 1.00 0.78 C ATOM 829 C GLU A 81 -6.652 11.259 4.586 1.00 0.62 C ATOM 830 O GLU A 81 -7.529 11.961 4.099 1.00 0.64 O ATOM 831 CB GLU A 81 -5.281 12.353 6.388 1.00 0.96 C ATOM 832 CG GLU A 81 -5.717 13.785 6.145 1.00 1.53 C ATOM 833 CD GLU A 81 -4.702 14.780 6.662 1.00 2.31 C ATOM 834 OE1 GLU A 81 -3.947 15.350 5.853 1.00 3.07 O ATOM 835 OE2 GLU A 81 -4.649 14.994 7.890 1.00 2.63 O ATOM 0 H GLU A 81 -4.880 9.928 6.617 1.00 0.78 H new ATOM 0 HA GLU A 81 -7.258 11.576 6.609 1.00 0.78 H new ATOM 0 HB2 GLU A 81 -4.984 12.249 7.432 1.00 0.96 H new ATOM 0 HB3 GLU A 81 -4.398 12.148 5.783 1.00 0.96 H new ATOM 0 HG2 GLU A 81 -5.868 13.942 5.077 1.00 1.53 H new ATOM 0 HG3 GLU A 81 -6.677 13.960 6.631 1.00 1.53 H new ATOM 842 N GLY A 82 -5.938 10.388 3.884 1.00 0.55 N ATOM 843 CA GLY A 82 -6.156 10.180 2.482 1.00 0.47 C ATOM 844 C GLY A 82 -7.564 9.714 2.204 1.00 0.46 C ATOM 845 O GLY A 82 -8.213 10.158 1.252 1.00 0.49 O ATOM 0 H GLY A 82 -5.195 9.813 4.282 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -5.965 11.107 1.942 1.00 0.47 H new ATOM 0 HA3 GLY A 82 -5.447 9.442 2.108 1.00 0.47 H new ATOM 849 N VAL A 83 -8.025 8.820 3.065 1.00 0.51 N ATOM 850 CA VAL A 83 -9.368 8.272 2.980 1.00 0.61 C ATOM 851 C VAL A 83 -10.408 9.359 3.215 1.00 0.70 C ATOM 852 O VAL A 83 -11.306 9.566 2.395 1.00 0.79 O ATOM 853 CB VAL A 83 -9.536 7.310 3.878 1.00 0.70 C ATOM 854 CG1 VAL A 83 -10.971 6.789 3.873 1.00 0.85 C ATOM 855 CG2 VAL A 83 -8.562 6.167 3.647 1.00 0.69 C ATOM 0 H VAL A 83 -7.477 8.454 3.843 1.00 0.51 H new ATOM 0 HA VAL A 83 -9.497 7.860 1.979 1.00 0.61 H new ATOM 0 HB VAL A 83 -9.333 7.744 4.857 1.00 0.70 H new ATOM 0 HG11 VAL A 83 -11.075 6.002 4.620 1.00 0.85 H new ATOM 0 HG12 VAL A 83 -11.655 7.605 4.108 1.00 0.85 H new ATOM 0 HG13 VAL A 83 -11.209 6.388 2.888 1.00 0.85 H new ATOM 0 HG21 VAL A 83 -8.724 5.394 4.398 1.00 0.69 H new ATOM 0 HG22 VAL A 83 -8.722 5.747 2.654 1.00 0.69 H new ATOM 0 HG23 VAL A 83 -7.540 6.539 3.723 1.00 0.69 H new ATOM 865 N ALA A 84 -10.252 10.087 4.312 1.00 0.76 N ATOM 866 CA ALA A 84 -11.265 11.038 4.736 1.00 0.94 C ATOM 867 C ALA A 84 -11.198 12.307 3.913 1.00 0.88 C ATOM 868 O ALA A 84 -12.185 13.035 3.791 1.00 1.07 O ATOM 869 CB ALA A 84 -11.127 11.345 6.219 1.00 1.12 C ATOM 0 H ALA A 84 -9.436 10.036 4.922 1.00 0.76 H new ATOM 0 HA ALA A 84 -12.243 10.585 4.572 1.00 0.94 H new ATOM 0 HB1 ALA A 84 -11.895 12.059 6.516 1.00 1.12 H new ATOM 0 HB2 ALA A 84 -11.245 10.426 6.793 1.00 1.12 H new ATOM 0 HB3 ALA A 84 -10.142 11.770 6.412 1.00 1.12 H new ATOM 875 N SER A 85 -10.028 12.575 3.363 1.00 0.76 N ATOM 876 CA SER A 85 -9.881 13.665 2.416 1.00 0.84 C ATOM 877 C SER A 85 -10.696 13.339 1.172 1.00 0.94 C ATOM 878 O SER A 85 -11.294 14.217 0.551 1.00 1.22 O ATOM 879 CB SER A 85 -8.409 13.878 2.052 1.00 1.19 C ATOM 880 OG SER A 85 -8.214 15.120 1.401 1.00 1.88 O ATOM 0 H SER A 85 -9.171 12.057 3.554 1.00 0.76 H new ATOM 0 HA SER A 85 -10.244 14.589 2.866 1.00 0.84 H new ATOM 0 HB2 SER A 85 -7.800 13.839 2.955 1.00 1.19 H new ATOM 0 HB3 SER A 85 -8.072 13.069 1.404 1.00 1.19 H new ATOM 0 HG SER A 85 -7.265 15.229 1.182 1.00 1.88 H new ATOM 886 N GLY A 86 -10.742 12.049 0.845 1.00 0.96 N ATOM 887 CA GLY A 86 -11.536 11.592 -0.273 1.00 1.46 C ATOM 888 C GLY A 86 -10.774 11.639 -1.573 1.00 1.21 C ATOM 889 O GLY A 86 -11.363 11.546 -2.648 1.00 1.66 O ATOM 0 H GLY A 86 -10.239 11.313 1.340 1.00 0.96 H new ATOM 0 HA2 GLY A 86 -11.869 10.571 -0.086 1.00 1.46 H new ATOM 0 HA3 GLY A 86 -12.431 12.209 -0.356 1.00 1.46 H new ATOM 893 N ASN A 87 -9.459 11.765 -1.477 1.00 0.66 N ATOM 894 CA ASN A 87 -8.625 11.921 -2.666 1.00 0.67 C ATOM 895 C ASN A 87 -7.157 11.658 -2.366 1.00 0.52 C ATOM 896 O ASN A 87 -6.288 12.486 -2.644 1.00 0.72 O ATOM 897 CB ASN A 87 -8.803 13.319 -3.280 1.00 0.95 C ATOM 898 CG ASN A 87 -8.746 14.435 -2.251 1.00 1.40 C ATOM 899 OD1 ASN A 87 -9.772 14.873 -1.740 1.00 2.08 O ATOM 900 ND2 ASN A 87 -7.552 14.903 -1.940 1.00 1.72 N ATOM 0 H ASN A 87 -8.946 11.763 -0.595 1.00 0.66 H new ATOM 0 HA ASN A 87 -8.954 11.176 -3.390 1.00 0.67 H new ATOM 0 HB2 ASN A 87 -8.026 13.482 -4.027 1.00 0.95 H new ATOM 0 HB3 ASN A 87 -9.760 13.361 -3.800 1.00 0.95 H new ATOM 0 HD21 ASN A 87 -7.461 15.653 -1.255 1.00 1.72 H new ATOM 0 HD22 ASN A 87 -6.720 14.515 -2.385 1.00 1.72 H new ATOM 907 N LEU A 88 -6.891 10.493 -1.806 1.00 0.40 N ATOM 908 CA LEU A 88 -5.535 10.069 -1.508 1.00 0.32 C ATOM 909 C LEU A 88 -4.720 9.873 -2.776 1.00 0.30 C ATOM 910 O LEU A 88 -4.802 8.827 -3.406 1.00 0.34 O ATOM 911 CB LEU A 88 -5.568 8.756 -0.743 1.00 0.37 C ATOM 912 CG LEU A 88 -4.476 8.616 0.289 1.00 0.42 C ATOM 913 CD1 LEU A 88 -4.682 7.360 1.118 1.00 0.56 C ATOM 914 CD2 LEU A 88 -3.093 8.611 -0.346 1.00 0.48 C ATOM 0 H LEU A 88 -7.607 9.815 -1.545 1.00 0.40 H new ATOM 0 HA LEU A 88 -5.067 10.851 -0.910 1.00 0.32 H new ATOM 0 HB2 LEU A 88 -6.535 8.660 -0.249 1.00 0.37 H new ATOM 0 HB3 LEU A 88 -5.490 7.932 -1.453 1.00 0.37 H new ATOM 0 HG LEU A 88 -4.534 9.485 0.944 1.00 0.42 H new ATOM 0 HD11 LEU A 88 -3.885 7.277 1.856 1.00 0.56 H new ATOM 0 HD12 LEU A 88 -5.644 7.414 1.627 1.00 0.56 H new ATOM 0 HD13 LEU A 88 -4.665 6.487 0.466 1.00 0.56 H new ATOM 0 HD21 LEU A 88 -2.336 8.508 0.432 1.00 0.48 H new ATOM 0 HD22 LEU A 88 -3.015 7.775 -1.041 1.00 0.48 H new ATOM 0 HD23 LEU A 88 -2.936 9.546 -0.884 1.00 0.48 H new ATOM 926 N ASN A 89 -3.957 10.874 -3.170 1.00 0.32 N ATOM 927 CA ASN A 89 -3.037 10.706 -4.279 1.00 0.34 C ATOM 928 C ASN A 89 -1.760 11.522 -4.039 1.00 0.40 C ATOM 929 O ASN A 89 -1.777 12.757 -4.043 1.00 0.50 O ATOM 930 CB ASN A 89 -3.730 11.042 -5.618 1.00 0.41 C ATOM 931 CG ASN A 89 -3.739 12.519 -5.975 1.00 1.12 C ATOM 932 OD1 ASN A 89 -2.854 13.007 -6.685 1.00 2.01 O ATOM 933 ND2 ASN A 89 -4.738 13.239 -5.490 1.00 1.62 N ATOM 0 H ASN A 89 -3.954 11.801 -2.745 1.00 0.32 H new ATOM 0 HA ASN A 89 -2.734 9.661 -4.344 1.00 0.34 H new ATOM 0 HB2 ASN A 89 -3.233 10.492 -6.417 1.00 0.41 H new ATOM 0 HB3 ASN A 89 -4.759 10.685 -5.578 1.00 0.41 H new ATOM 0 HD21 ASN A 89 -4.797 14.236 -5.699 1.00 1.62 H new ATOM 0 HD22 ASN A 89 -5.449 12.797 -4.907 1.00 1.62 H new ATOM 940 N THR A 90 -0.663 10.823 -3.755 1.00 0.39 N ATOM 941 CA THR A 90 0.620 11.464 -3.495 1.00 0.50 C ATOM 942 C THR A 90 1.769 10.664 -4.084 1.00 0.55 C ATOM 943 O THR A 90 1.607 9.499 -4.459 1.00 0.69 O ATOM 944 CB THR A 90 0.836 11.606 -2.195 1.00 0.68 C ATOM 945 OG1 THR A 90 0.360 10.444 -1.492 1.00 1.67 O ATOM 946 CG2 THR A 90 0.175 12.856 -1.636 1.00 1.22 C ATOM 0 H THR A 90 -0.640 9.805 -3.699 1.00 0.39 H new ATOM 0 HA THR A 90 0.575 12.445 -3.968 1.00 0.50 H new ATOM 0 HB THR A 90 1.911 11.713 -2.051 1.00 0.68 H new ATOM 0 HG1 THR A 90 0.523 10.553 -0.532 1.00 1.67 H new ATOM 0 HG21 THR A 90 0.380 12.929 -0.568 1.00 1.22 H new ATOM 0 HG22 THR A 90 0.572 13.735 -2.143 1.00 1.22 H new ATOM 0 HG23 THR A 90 -0.902 12.801 -1.796 1.00 1.22 H new ATOM 954 N MET A 91 2.909 11.319 -4.223 1.00 0.72 N ATOM 955 CA MET A 91 4.154 10.639 -4.548 1.00 1.00 C ATOM 956 C MET A 91 5.336 11.407 -3.984 1.00 0.88 C ATOM 957 O MET A 91 5.609 12.546 -4.361 1.00 0.92 O ATOM 958 CB MET A 91 4.318 10.409 -6.055 1.00 1.53 C ATOM 959 CG MET A 91 4.333 11.672 -6.904 1.00 2.33 C ATOM 960 SD MET A 91 4.562 11.308 -8.657 1.00 3.24 S ATOM 961 CE MET A 91 4.745 12.958 -9.327 1.00 3.94 C ATOM 0 H MET A 91 2.999 12.329 -4.115 1.00 0.72 H new ATOM 0 HA MET A 91 4.118 9.654 -4.083 1.00 1.00 H new ATOM 0 HB2 MET A 91 5.247 9.865 -6.225 1.00 1.53 H new ATOM 0 HB3 MET A 91 3.506 9.768 -6.399 1.00 1.53 H new ATOM 0 HG2 MET A 91 3.397 12.213 -6.766 1.00 2.33 H new ATOM 0 HG3 MET A 91 5.134 12.328 -6.563 1.00 2.33 H new ATOM 0 HE1 MET A 91 4.895 12.898 -10.405 1.00 3.94 H new ATOM 0 HE2 MET A 91 3.846 13.538 -9.117 1.00 3.94 H new ATOM 0 HE3 MET A 91 5.606 13.444 -8.868 1.00 3.94 H new ATOM 971 N PHE A 92 6.026 10.767 -3.065 1.00 0.98 N ATOM 972 CA PHE A 92 7.155 11.366 -2.385 1.00 1.01 C ATOM 973 C PHE A 92 8.139 10.276 -2.004 1.00 0.90 C ATOM 974 O PHE A 92 7.739 9.153 -1.702 1.00 0.85 O ATOM 975 CB PHE A 92 6.666 12.120 -1.137 1.00 1.24 C ATOM 976 CG PHE A 92 7.754 12.793 -0.344 1.00 1.49 C ATOM 977 CD1 PHE A 92 8.367 13.939 -0.823 1.00 1.94 C ATOM 978 CD2 PHE A 92 8.168 12.276 0.872 1.00 1.58 C ATOM 979 CE1 PHE A 92 9.371 14.558 -0.105 1.00 2.47 C ATOM 980 CE2 PHE A 92 9.171 12.890 1.597 1.00 2.01 C ATOM 981 CZ PHE A 92 9.750 14.044 1.131 1.00 2.46 C ATOM 0 H PHE A 92 5.820 9.814 -2.767 1.00 0.98 H new ATOM 0 HA PHE A 92 7.653 12.078 -3.043 1.00 1.01 H new ATOM 0 HB2 PHE A 92 5.940 12.873 -1.445 1.00 1.24 H new ATOM 0 HB3 PHE A 92 6.142 11.419 -0.487 1.00 1.24 H new ATOM 0 HD1 PHE A 92 8.056 14.354 -1.770 1.00 1.94 H new ATOM 0 HD2 PHE A 92 7.701 11.382 1.258 1.00 1.58 H new ATOM 0 HE1 PHE A 92 9.859 15.436 -0.501 1.00 2.47 H new ATOM 0 HE2 PHE A 92 9.500 12.461 2.532 1.00 2.01 H new ATOM 0 HZ PHE A 92 10.498 14.552 1.722 1.00 2.46 H new ATOM 991 N GLU A 93 9.419 10.579 -2.063 1.00 0.98 N ATOM 992 CA GLU A 93 10.417 9.639 -1.599 1.00 0.97 C ATOM 993 C GLU A 93 10.784 9.969 -0.162 1.00 1.21 C ATOM 994 O GLU A 93 11.317 11.048 0.127 1.00 1.50 O ATOM 995 CB GLU A 93 11.660 9.649 -2.490 1.00 1.18 C ATOM 996 CG GLU A 93 11.358 9.332 -3.945 1.00 1.33 C ATOM 997 CD GLU A 93 12.581 8.877 -4.709 1.00 1.57 C ATOM 998 OE1 GLU A 93 12.613 7.714 -5.157 1.00 1.97 O ATOM 999 OE2 GLU A 93 13.525 9.679 -4.850 1.00 1.92 O ATOM 0 H GLU A 93 9.790 11.458 -2.423 1.00 0.98 H new ATOM 0 HA GLU A 93 9.997 8.634 -1.648 1.00 0.97 H new ATOM 0 HB2 GLU A 93 12.134 10.629 -2.429 1.00 1.18 H new ATOM 0 HB3 GLU A 93 12.378 8.923 -2.108 1.00 1.18 H new ATOM 0 HG2 GLU A 93 10.595 8.555 -3.993 1.00 1.33 H new ATOM 0 HG3 GLU A 93 10.942 10.217 -4.427 1.00 1.33 H new ATOM 1006 N TYR A 94 10.492 9.038 0.732 1.00 1.23 N ATOM 1007 CA TYR A 94 10.635 9.279 2.151 1.00 1.60 C ATOM 1008 C TYR A 94 11.816 8.495 2.703 1.00 1.67 C ATOM 1009 O TYR A 94 11.914 7.280 2.515 1.00 1.62 O ATOM 1010 CB TYR A 94 9.343 8.886 2.878 1.00 1.88 C ATOM 1011 CG TYR A 94 9.328 9.252 4.346 1.00 2.23 C ATOM 1012 CD1 TYR A 94 9.604 8.301 5.317 1.00 2.63 C ATOM 1013 CD2 TYR A 94 9.036 10.547 4.758 1.00 2.62 C ATOM 1014 CE1 TYR A 94 9.593 8.628 6.658 1.00 3.18 C ATOM 1015 CE2 TYR A 94 9.022 10.882 6.098 1.00 3.33 C ATOM 1016 CZ TYR A 94 9.302 9.919 7.043 1.00 3.51 C ATOM 1017 OH TYR A 94 9.294 10.247 8.380 1.00 4.29 O ATOM 0 H TYR A 94 10.153 8.106 0.494 1.00 1.23 H new ATOM 0 HA TYR A 94 10.822 10.340 2.314 1.00 1.60 H new ATOM 0 HB2 TYR A 94 8.499 9.369 2.385 1.00 1.88 H new ATOM 0 HB3 TYR A 94 9.196 7.810 2.781 1.00 1.88 H new ATOM 0 HD1 TYR A 94 9.831 7.288 5.019 1.00 2.63 H new ATOM 0 HD2 TYR A 94 8.817 11.303 4.019 1.00 2.62 H new ATOM 0 HE1 TYR A 94 9.811 7.876 7.402 1.00 3.18 H new ATOM 0 HE2 TYR A 94 8.793 11.892 6.403 1.00 3.33 H new ATOM 0 HH TYR A 94 9.072 11.196 8.483 1.00 4.29 H new ATOM 1170 N LYS A 104 15.325 4.190 2.234 1.00 1.52 N ATOM 1171 CA LYS A 104 14.577 5.149 1.441 1.00 1.37 C ATOM 1172 C LYS A 104 13.489 4.431 0.660 1.00 1.18 C ATOM 1173 O LYS A 104 13.747 3.385 0.057 1.00 1.26 O ATOM 1174 CB LYS A 104 15.512 5.866 0.465 1.00 1.53 C ATOM 1175 CG LYS A 104 14.819 6.922 -0.385 1.00 1.64 C ATOM 1176 CD LYS A 104 15.694 7.365 -1.548 1.00 2.24 C ATOM 1177 CE LYS A 104 17.038 7.891 -1.072 1.00 2.60 C ATOM 1178 NZ LYS A 104 17.934 8.226 -2.208 1.00 3.12 N ATOM 0 HA LYS A 104 14.124 5.882 2.109 1.00 1.37 H new ATOM 0 HB2 LYS A 104 16.318 6.337 1.028 1.00 1.53 H new ATOM 0 HB3 LYS A 104 15.972 5.128 -0.192 1.00 1.53 H new ATOM 0 HG2 LYS A 104 13.879 6.524 -0.767 1.00 1.64 H new ATOM 0 HG3 LYS A 104 14.572 7.784 0.234 1.00 1.64 H new ATOM 0 HD2 LYS A 104 15.851 6.526 -2.226 1.00 2.24 H new ATOM 0 HD3 LYS A 104 15.180 8.141 -2.115 1.00 2.24 H new ATOM 0 HE2 LYS A 104 16.884 8.778 -0.457 1.00 2.60 H new ATOM 0 HE3 LYS A 104 17.517 7.144 -0.439 1.00 2.60 H new ATOM 0 HZ1 LYS A 104 18.840 8.581 -1.842 1.00 3.12 H new ATOM 0 HZ2 LYS A 104 18.102 7.374 -2.781 1.00 3.12 H new ATOM 0 HZ3 LYS A 104 17.488 8.957 -2.798 1.00 3.12 H new ATOM 1192 N VAL A 105 12.277 4.977 0.677 1.00 1.04 N ATOM 1193 CA VAL A 105 11.194 4.439 -0.123 1.00 0.90 C ATOM 1194 C VAL A 105 10.524 5.534 -0.929 1.00 0.72 C ATOM 1195 O VAL A 105 10.691 6.719 -0.652 1.00 0.75 O ATOM 1196 CB VAL A 105 10.270 3.810 0.599 1.00 1.00 C ATOM 1197 CG1 VAL A 105 10.826 2.517 1.188 1.00 1.23 C ATOM 1198 CG2 VAL A 105 9.706 4.707 1.695 1.00 1.11 C ATOM 0 H VAL A 105 12.025 5.791 1.237 1.00 1.04 H new ATOM 0 HA VAL A 105 11.654 3.707 -0.787 1.00 0.90 H new ATOM 0 HB VAL A 105 9.449 3.555 -0.071 1.00 1.00 H new ATOM 0 HG11 VAL A 105 10.052 2.022 1.774 1.00 1.23 H new ATOM 0 HG12 VAL A 105 11.148 1.859 0.381 1.00 1.23 H new ATOM 0 HG13 VAL A 105 11.676 2.746 1.831 1.00 1.23 H new ATOM 0 HG21 VAL A 105 8.955 4.159 2.263 1.00 1.11 H new ATOM 0 HG22 VAL A 105 10.511 5.017 2.362 1.00 1.11 H new ATOM 0 HG23 VAL A 105 9.249 5.588 1.245 1.00 1.11 H new ATOM 1208 N LYS A 106 9.818 5.125 -1.958 1.00 0.64 N ATOM 1209 CA LYS A 106 9.013 6.035 -2.750 1.00 0.59 C ATOM 1210 C LYS A 106 7.555 5.631 -2.621 1.00 0.53 C ATOM 1211 O LYS A 106 7.213 4.484 -2.889 1.00 0.68 O ATOM 1212 CB LYS A 106 9.426 5.992 -4.227 1.00 0.79 C ATOM 1213 CG LYS A 106 8.756 7.068 -5.076 1.00 1.39 C ATOM 1214 CD LYS A 106 8.618 6.651 -6.534 1.00 1.61 C ATOM 1215 CE LYS A 106 9.962 6.350 -7.186 1.00 2.08 C ATOM 1216 NZ LYS A 106 10.841 7.551 -7.276 1.00 2.36 N ATOM 0 H LYS A 106 9.783 4.155 -2.272 1.00 0.64 H new ATOM 0 HA LYS A 106 9.163 7.051 -2.384 1.00 0.59 H new ATOM 0 HB2 LYS A 106 10.508 6.106 -4.297 1.00 0.79 H new ATOM 0 HB3 LYS A 106 9.181 5.012 -4.637 1.00 0.79 H new ATOM 0 HG2 LYS A 106 7.769 7.287 -4.668 1.00 1.39 H new ATOM 0 HG3 LYS A 106 9.337 7.988 -5.017 1.00 1.39 H new ATOM 0 HD2 LYS A 106 7.982 5.768 -6.597 1.00 1.61 H new ATOM 0 HD3 LYS A 106 8.118 7.445 -7.090 1.00 1.61 H new ATOM 0 HE2 LYS A 106 10.472 5.574 -6.615 1.00 2.08 H new ATOM 0 HE3 LYS A 106 9.794 5.952 -8.187 1.00 2.08 H new ATOM 0 HZ1 LYS A 106 11.202 7.645 -8.247 1.00 2.36 H new ATOM 0 HZ2 LYS A 106 10.295 8.400 -7.026 1.00 2.36 H new ATOM 0 HZ3 LYS A 106 11.640 7.447 -6.618 1.00 2.36 H new ATOM 1230 N VAL A 107 6.706 6.553 -2.199 1.00 0.47 N ATOM 1231 CA VAL A 107 5.290 6.245 -2.037 1.00 0.49 C ATOM 1232 C VAL A 107 4.448 6.934 -3.091 1.00 0.45 C ATOM 1233 O VAL A 107 4.207 8.138 -3.026 1.00 0.74 O ATOM 1234 CB VAL A 107 4.817 6.559 -0.833 1.00 0.60 C ATOM 1235 CG1 VAL A 107 5.120 5.442 0.158 1.00 0.99 C ATOM 1236 CG2 VAL A 107 5.364 7.883 -0.314 1.00 1.11 C ATOM 0 H VAL A 107 6.966 7.511 -1.964 1.00 0.47 H new ATOM 0 HA VAL A 107 5.218 5.164 -2.154 1.00 0.49 H new ATOM 0 HB VAL A 107 3.738 6.677 -0.935 1.00 0.60 H new ATOM 0 HG11 VAL A 107 4.728 5.710 1.139 1.00 0.99 H new ATOM 0 HG12 VAL A 107 4.650 4.518 -0.180 1.00 0.99 H new ATOM 0 HG13 VAL A 107 6.198 5.297 0.225 1.00 0.99 H new ATOM 0 HG21 VAL A 107 4.945 8.089 0.671 1.00 1.11 H new ATOM 0 HG22 VAL A 107 6.450 7.824 -0.241 1.00 1.11 H new ATOM 0 HG23 VAL A 107 5.089 8.684 -1.000 1.00 1.11 H new ATOM 1246 N HIS A 108 3.999 6.172 -4.074 1.00 0.30 N ATOM 1247 CA HIS A 108 3.061 6.699 -5.038 1.00 0.31 C ATOM 1248 C HIS A 108 1.713 6.046 -4.812 1.00 0.28 C ATOM 1249 O HIS A 108 1.502 4.887 -5.152 1.00 0.31 O ATOM 1250 CB HIS A 108 3.537 6.467 -6.477 1.00 0.43 C ATOM 1251 CG HIS A 108 2.668 7.137 -7.504 1.00 0.56 C ATOM 1252 ND1 HIS A 108 2.469 6.638 -8.774 1.00 0.94 N ATOM 1253 CD2 HIS A 108 1.948 8.283 -7.439 1.00 0.71 C ATOM 1254 CE1 HIS A 108 1.666 7.446 -9.442 1.00 1.01 C ATOM 1255 NE2 HIS A 108 1.337 8.452 -8.655 1.00 0.80 N ATOM 0 H HIS A 108 4.267 5.199 -4.221 1.00 0.30 H new ATOM 0 HA HIS A 108 2.981 7.777 -4.899 1.00 0.31 H new ATOM 0 HB2 HIS A 108 4.558 6.835 -6.579 1.00 0.43 H new ATOM 0 HB3 HIS A 108 3.563 5.396 -6.676 1.00 0.43 H new ATOM 0 HD2 HIS A 108 1.870 8.942 -6.587 1.00 0.71 H new ATOM 0 HE1 HIS A 108 1.335 7.307 -10.460 1.00 1.01 H new ATOM 0 HE2 HIS A 108 0.727 9.229 -8.909 1.00 0.80 H new ATOM 1264 N MET A 109 0.811 6.798 -4.232 1.00 0.31 N ATOM 1265 CA MET A 109 -0.517 6.307 -3.934 1.00 0.33 C ATOM 1266 C MET A 109 -1.521 7.126 -4.701 1.00 0.37 C ATOM 1267 O MET A 109 -1.317 8.321 -4.903 1.00 0.55 O ATOM 1268 CB MET A 109 -0.793 6.393 -2.432 1.00 0.43 C ATOM 1269 CG MET A 109 0.090 5.478 -1.594 1.00 0.77 C ATOM 1270 SD MET A 109 -0.061 5.789 0.174 1.00 1.28 S ATOM 1271 CE MET A 109 0.519 7.481 0.256 1.00 2.22 C ATOM 0 H MET A 109 0.973 7.766 -3.953 1.00 0.31 H new ATOM 0 HA MET A 109 -0.596 5.261 -4.231 1.00 0.33 H new ATOM 0 HB2 MET A 109 -0.649 7.422 -2.104 1.00 0.43 H new ATOM 0 HB3 MET A 109 -1.838 6.143 -2.249 1.00 0.43 H new ATOM 0 HG2 MET A 109 -0.172 4.440 -1.799 1.00 0.77 H new ATOM 0 HG3 MET A 109 1.130 5.610 -1.894 1.00 0.77 H new ATOM 0 HE1 MET A 109 -0.116 8.051 0.934 1.00 2.22 H new ATOM 0 HE2 MET A 109 1.546 7.496 0.622 1.00 2.22 H new ATOM 0 HE3 MET A 109 0.481 7.927 -0.738 1.00 2.22 H new ATOM 1281 N LYS A 110 -2.583 6.498 -5.158 1.00 0.27 N ATOM 1282 CA LYS A 110 -3.582 7.217 -5.909 1.00 0.30 C ATOM 1283 C LYS A 110 -4.941 6.602 -5.689 1.00 0.24 C ATOM 1284 O LYS A 110 -5.107 5.391 -5.791 1.00 0.24 O ATOM 1285 CB LYS A 110 -3.238 7.250 -7.405 1.00 0.43 C ATOM 1286 CG LYS A 110 -3.067 5.879 -8.042 1.00 0.64 C ATOM 1287 CD LYS A 110 -2.789 5.987 -9.533 1.00 0.78 C ATOM 1288 CE LYS A 110 -3.959 6.616 -10.275 1.00 1.38 C ATOM 1289 NZ LYS A 110 -3.667 6.799 -11.721 1.00 1.73 N ATOM 0 H LYS A 110 -2.773 5.505 -5.024 1.00 0.27 H new ATOM 0 HA LYS A 110 -3.600 8.246 -5.551 1.00 0.30 H new ATOM 0 HB2 LYS A 110 -4.025 7.787 -7.934 1.00 0.43 H new ATOM 0 HB3 LYS A 110 -2.317 7.818 -7.541 1.00 0.43 H new ATOM 0 HG2 LYS A 110 -2.247 5.351 -7.556 1.00 0.64 H new ATOM 0 HG3 LYS A 110 -3.968 5.287 -7.881 1.00 0.64 H new ATOM 0 HD2 LYS A 110 -1.891 6.584 -9.694 1.00 0.78 H new ATOM 0 HD3 LYS A 110 -2.590 4.996 -9.940 1.00 0.78 H new ATOM 0 HE2 LYS A 110 -4.842 5.987 -10.160 1.00 1.38 H new ATOM 0 HE3 LYS A 110 -4.195 7.582 -9.828 1.00 1.38 H new ATOM 0 HZ1 LYS A 110 -4.489 7.230 -12.189 1.00 1.73 H new ATOM 0 HZ2 LYS A 110 -2.840 7.420 -11.832 1.00 1.73 H new ATOM 0 HZ3 LYS A 110 -3.467 5.875 -12.154 1.00 1.73 H new ATOM 1303 N LYS A 111 -5.899 7.437 -5.355 1.00 0.23 N ATOM 1304 CA LYS A 111 -7.255 7.014 -5.223 1.00 0.22 C ATOM 1305 C LYS A 111 -7.738 6.375 -6.515 1.00 0.22 C ATOM 1306 O LYS A 111 -7.807 7.024 -7.563 1.00 0.29 O ATOM 1307 CB LYS A 111 -8.067 8.243 -4.882 1.00 0.28 C ATOM 1308 CG LYS A 111 -9.566 8.026 -4.862 1.00 0.35 C ATOM 1309 CD LYS A 111 -10.286 9.344 -4.676 1.00 0.53 C ATOM 1310 CE LYS A 111 -11.759 9.236 -5.033 1.00 0.91 C ATOM 1311 NZ LYS A 111 -12.437 10.556 -4.972 1.00 1.78 N ATOM 0 H LYS A 111 -5.749 8.429 -5.169 1.00 0.23 H new ATOM 0 HA LYS A 111 -7.359 6.262 -4.441 1.00 0.22 H new ATOM 0 HB2 LYS A 111 -7.754 8.609 -3.904 1.00 0.28 H new ATOM 0 HB3 LYS A 111 -7.837 9.026 -5.604 1.00 0.28 H new ATOM 0 HG2 LYS A 111 -9.885 7.558 -5.793 1.00 0.35 H new ATOM 0 HG3 LYS A 111 -9.830 7.343 -4.055 1.00 0.35 H new ATOM 0 HD2 LYS A 111 -10.186 9.670 -3.641 1.00 0.53 H new ATOM 0 HD3 LYS A 111 -9.816 10.106 -5.298 1.00 0.53 H new ATOM 0 HE2 LYS A 111 -11.861 8.820 -6.036 1.00 0.91 H new ATOM 0 HE3 LYS A 111 -12.249 8.543 -4.349 1.00 0.91 H new ATOM 0 HZ1 LYS A 111 -13.464 10.415 -4.883 1.00 1.78 H new ATOM 0 HZ2 LYS A 111 -12.088 11.088 -4.149 1.00 1.78 H new ATOM 0 HZ3 LYS A 111 -12.235 11.091 -5.841 1.00 1.78 H new ATOM 1325 N ALA A 112 -8.030 5.086 -6.422 1.00 0.22 N ATOM 1326 CA ALA A 112 -8.445 4.307 -7.568 1.00 0.26 C ATOM 1327 C ALA A 112 -9.756 4.848 -8.127 1.00 0.38 C ATOM 1328 O ALA A 112 -10.618 5.313 -7.372 1.00 0.45 O ATOM 1329 CB ALA A 112 -8.596 2.844 -7.192 1.00 0.33 C ATOM 0 H ALA A 112 -7.985 4.557 -5.551 1.00 0.22 H new ATOM 0 HA ALA A 112 -7.677 4.387 -8.337 1.00 0.26 H new ATOM 0 HB1 ALA A 112 -8.909 2.274 -8.067 1.00 0.33 H new ATOM 0 HB2 ALA A 112 -7.642 2.461 -6.831 1.00 0.33 H new ATOM 0 HB3 ALA A 112 -9.346 2.746 -6.408 1.00 0.33 H new ATOM 1335 N LEU A 113 -9.914 4.776 -9.440 1.00 0.47 N ATOM 1336 CA LEU A 113 -11.101 5.308 -10.111 1.00 0.64 C ATOM 1337 C LEU A 113 -12.371 4.525 -9.755 1.00 0.76 C ATOM 1338 O LEU A 113 -13.458 4.841 -10.235 1.00 0.96 O ATOM 1339 CB LEU A 113 -10.893 5.381 -11.652 1.00 0.76 C ATOM 1340 CG LEU A 113 -10.631 4.068 -12.444 1.00 1.55 C ATOM 1341 CD1 LEU A 113 -9.446 3.289 -11.900 1.00 2.27 C ATOM 1342 CD2 LEU A 113 -11.868 3.184 -12.499 1.00 2.39 C ATOM 0 H LEU A 113 -9.233 4.352 -10.070 1.00 0.47 H new ATOM 0 HA LEU A 113 -11.244 6.324 -9.743 1.00 0.64 H new ATOM 0 HB2 LEU A 113 -11.777 5.852 -12.081 1.00 0.76 H new ATOM 0 HB3 LEU A 113 -10.053 6.050 -11.839 1.00 0.76 H new ATOM 0 HG LEU A 113 -10.385 4.374 -13.461 1.00 1.55 H new ATOM 0 HD11 LEU A 113 -9.306 2.382 -12.488 1.00 2.27 H new ATOM 0 HD12 LEU A 113 -8.548 3.903 -11.961 1.00 2.27 H new ATOM 0 HD13 LEU A 113 -9.633 3.022 -10.860 1.00 2.27 H new ATOM 0 HD21 LEU A 113 -11.643 2.278 -13.061 1.00 2.39 H new ATOM 0 HD22 LEU A 113 -12.170 2.918 -11.486 1.00 2.39 H new ATOM 0 HD23 LEU A 113 -12.679 3.723 -12.989 1.00 2.39 H new ATOM 1354 N SER A 114 -12.235 3.522 -8.896 1.00 0.73 N ATOM 1355 CA SER A 114 -13.365 2.695 -8.501 1.00 0.92 C ATOM 1356 C SER A 114 -14.039 3.253 -7.246 1.00 0.93 C ATOM 1357 O SER A 114 -14.944 2.630 -6.685 1.00 1.27 O ATOM 1358 CB SER A 114 -12.895 1.258 -8.261 1.00 1.04 C ATOM 1359 OG SER A 114 -13.994 0.370 -8.118 1.00 1.66 O ATOM 0 H SER A 114 -11.350 3.262 -8.460 1.00 0.73 H new ATOM 0 HA SER A 114 -14.099 2.701 -9.307 1.00 0.92 H new ATOM 0 HB2 SER A 114 -12.270 0.934 -9.093 1.00 1.04 H new ATOM 0 HB3 SER A 114 -12.276 1.221 -7.364 1.00 1.04 H new ATOM 0 HG SER A 114 -14.704 0.809 -7.605 1.00 1.66 H new ATOM 1365 N GLY A 115 -13.599 4.423 -6.803 1.00 0.71 N ATOM 1366 CA GLY A 115 -14.200 5.046 -5.640 1.00 0.79 C ATOM 1367 C GLY A 115 -13.438 4.734 -4.372 1.00 0.78 C ATOM 1368 O GLY A 115 -12.329 5.234 -4.172 1.00 1.52 O ATOM 0 H GLY A 115 -12.837 4.952 -7.228 1.00 0.71 H new ATOM 0 HA2 GLY A 115 -14.236 6.126 -5.785 1.00 0.79 H new ATOM 0 HA3 GLY A 115 -15.230 4.704 -5.537 1.00 0.79 H new ATOM 1372 N ASP A 116 -14.015 3.898 -3.516 1.00 0.72 N ATOM 1373 CA ASP A 116 -13.344 3.503 -2.284 1.00 0.85 C ATOM 1374 C ASP A 116 -12.237 2.507 -2.574 1.00 0.80 C ATOM 1375 O ASP A 116 -12.450 1.294 -2.575 1.00 1.40 O ATOM 1376 CB ASP A 116 -14.324 2.918 -1.269 1.00 1.25 C ATOM 1377 CG ASP A 116 -13.614 2.362 -0.050 1.00 2.10 C ATOM 1378 OD1 ASP A 116 -13.846 1.183 0.288 1.00 2.63 O ATOM 1379 OD2 ASP A 116 -12.807 3.096 0.558 1.00 2.79 O ATOM 0 H ASP A 116 -14.937 3.484 -3.651 1.00 0.72 H new ATOM 0 HA ASP A 116 -12.908 4.402 -1.849 1.00 0.85 H new ATOM 0 HB2 ASP A 116 -15.028 3.690 -0.958 1.00 1.25 H new ATOM 0 HB3 ASP A 116 -14.907 2.127 -1.742 1.00 1.25 H new ATOM 1384 N SER A 117 -11.069 3.047 -2.870 1.00 0.42 N ATOM 1385 CA SER A 117 -9.876 2.265 -3.139 1.00 0.29 C ATOM 1386 C SER A 117 -8.726 3.204 -3.460 1.00 0.22 C ATOM 1387 O SER A 117 -8.947 4.307 -3.955 1.00 0.25 O ATOM 1388 CB SER A 117 -10.106 1.300 -4.293 1.00 0.34 C ATOM 1389 OG SER A 117 -10.832 1.921 -5.343 1.00 0.44 O ATOM 0 H SER A 117 -10.920 4.054 -2.931 1.00 0.42 H new ATOM 0 HA SER A 117 -9.633 1.676 -2.255 1.00 0.29 H new ATOM 0 HB2 SER A 117 -9.147 0.945 -4.671 1.00 0.34 H new ATOM 0 HB3 SER A 117 -10.652 0.426 -3.937 1.00 0.34 H new ATOM 0 HG SER A 117 -11.774 1.657 -5.290 1.00 0.44 H new ATOM 1395 N TYR A 118 -7.517 2.776 -3.163 1.00 0.19 N ATOM 1396 CA TYR A 118 -6.327 3.593 -3.380 1.00 0.19 C ATOM 1397 C TYR A 118 -5.151 2.695 -3.739 1.00 0.20 C ATOM 1398 O TYR A 118 -4.956 1.647 -3.126 1.00 0.25 O ATOM 1399 CB TYR A 118 -5.981 4.413 -2.126 1.00 0.22 C ATOM 1400 CG TYR A 118 -7.155 5.114 -1.502 1.00 0.23 C ATOM 1401 CD1 TYR A 118 -7.857 4.528 -0.470 1.00 0.30 C ATOM 1402 CD2 TYR A 118 -7.548 6.363 -1.943 1.00 0.25 C ATOM 1403 CE1 TYR A 118 -8.927 5.172 0.120 1.00 0.35 C ATOM 1404 CE2 TYR A 118 -8.617 7.020 -1.364 1.00 0.30 C ATOM 1405 CZ TYR A 118 -9.338 6.398 -0.368 1.00 0.34 C ATOM 1406 OH TYR A 118 -10.368 7.070 0.252 1.00 0.42 O ATOM 0 H TYR A 118 -7.325 1.856 -2.766 1.00 0.19 H new ATOM 0 HA TYR A 118 -6.531 4.285 -4.197 1.00 0.19 H new ATOM 0 HB2 TYR A 118 -5.533 3.751 -1.385 1.00 0.22 H new ATOM 0 HB3 TYR A 118 -5.227 5.155 -2.388 1.00 0.22 H new ATOM 0 HD1 TYR A 118 -7.566 3.550 -0.117 1.00 0.30 H new ATOM 0 HD2 TYR A 118 -7.011 6.833 -2.753 1.00 0.25 H new ATOM 0 HE1 TYR A 118 -9.439 4.721 0.957 1.00 0.35 H new ATOM 0 HE2 TYR A 118 -8.885 8.014 -1.690 1.00 0.30 H new ATOM 0 HH TYR A 118 -10.533 7.916 -0.213 1.00 0.42 H new ATOM 1416 N TRP A 119 -4.372 3.093 -4.730 1.00 0.20 N ATOM 1417 CA TRP A 119 -3.246 2.303 -5.152 1.00 0.22 C ATOM 1418 C TRP A 119 -2.025 2.634 -4.320 1.00 0.25 C ATOM 1419 O TRP A 119 -1.936 3.704 -3.722 1.00 0.27 O ATOM 1420 CB TRP A 119 -2.922 2.575 -6.610 1.00 0.25 C ATOM 1421 CG TRP A 119 -3.949 2.105 -7.586 1.00 0.26 C ATOM 1422 CD1 TRP A 119 -5.209 2.599 -7.783 1.00 0.27 C ATOM 1423 CD2 TRP A 119 -3.771 1.062 -8.535 1.00 0.30 C ATOM 1424 NE1 TRP A 119 -5.835 1.887 -8.784 1.00 0.32 N ATOM 1425 CE2 TRP A 119 -4.968 0.939 -9.260 1.00 0.33 C ATOM 1426 CE3 TRP A 119 -2.714 0.205 -8.829 1.00 0.34 C ATOM 1427 CZ2 TRP A 119 -5.130 -0.005 -10.267 1.00 0.40 C ATOM 1428 CZ3 TRP A 119 -2.868 -0.725 -9.823 1.00 0.40 C ATOM 1429 CH2 TRP A 119 -4.070 -0.832 -10.536 1.00 0.42 C ATOM 0 H TRP A 119 -4.505 3.959 -5.252 1.00 0.20 H new ATOM 0 HA TRP A 119 -3.509 1.253 -5.022 1.00 0.22 H new ATOM 0 HB2 TRP A 119 -2.783 3.648 -6.741 1.00 0.25 H new ATOM 0 HB3 TRP A 119 -1.971 2.099 -6.850 1.00 0.25 H new ATOM 0 HD1 TRP A 119 -5.647 3.422 -7.237 1.00 0.27 H new ATOM 0 HE1 TRP A 119 -6.787 2.041 -9.116 1.00 0.32 H new ATOM 0 HE3 TRP A 119 -1.786 0.272 -8.281 1.00 0.34 H new ATOM 0 HZ2 TRP A 119 -6.056 -0.084 -10.817 1.00 0.40 H new ATOM 0 HZ3 TRP A 119 -2.049 -1.387 -10.061 1.00 0.40 H new ATOM 0 HH2 TRP A 119 -4.163 -1.579 -11.311 1.00 0.42 H new ATOM 1440 N VAL A 120 -1.087 1.713 -4.315 1.00 0.28 N ATOM 1441 CA VAL A 120 0.143 1.843 -3.549 1.00 0.32 C ATOM 1442 C VAL A 120 1.332 1.358 -4.383 1.00 0.34 C ATOM 1443 O VAL A 120 1.528 0.154 -4.562 1.00 0.43 O ATOM 1444 CB VAL A 120 0.093 1.126 -2.426 1.00 0.38 C ATOM 1445 CG1 VAL A 120 1.395 1.256 -1.635 1.00 0.56 C ATOM 1446 CG2 VAL A 120 -1.092 1.510 -1.548 1.00 0.62 C ATOM 0 H VAL A 120 -1.152 0.844 -4.845 1.00 0.28 H new ATOM 0 HA VAL A 120 0.262 2.896 -3.294 1.00 0.32 H new ATOM 0 HB VAL A 120 -0.040 0.086 -2.725 1.00 0.38 H new ATOM 0 HG11 VAL A 120 1.328 0.662 -0.724 1.00 0.56 H new ATOM 0 HG12 VAL A 120 2.227 0.898 -2.242 1.00 0.56 H new ATOM 0 HG13 VAL A 120 1.560 2.302 -1.375 1.00 0.56 H new ATOM 0 HG21 VAL A 120 -1.089 0.899 -0.646 1.00 0.62 H new ATOM 0 HG22 VAL A 120 -1.016 2.562 -1.274 1.00 0.62 H new ATOM 0 HG23 VAL A 120 -2.020 1.344 -2.096 1.00 0.62 H new ATOM 1456 N PHE A 121 2.119 2.288 -4.897 1.00 0.34 N ATOM 1457 CA PHE A 121 3.328 1.940 -5.618 1.00 0.42 C ATOM 1458 C PHE A 121 4.532 2.351 -4.791 1.00 0.40 C ATOM 1459 O PHE A 121 4.723 3.538 -4.521 1.00 0.49 O ATOM 1460 CB PHE A 121 3.386 2.650 -6.969 1.00 0.61 C ATOM 1461 CG PHE A 121 2.188 2.428 -7.849 1.00 0.49 C ATOM 1462 CD1 PHE A 121 1.203 3.397 -7.959 1.00 0.52 C ATOM 1463 CD2 PHE A 121 2.054 1.258 -8.578 1.00 0.98 C ATOM 1464 CE1 PHE A 121 0.108 3.203 -8.778 1.00 0.96 C ATOM 1465 CE2 PHE A 121 0.959 1.057 -9.397 1.00 1.49 C ATOM 1466 CZ PHE A 121 -0.013 2.031 -9.499 1.00 1.45 C ATOM 0 H PHE A 121 1.941 3.290 -4.827 1.00 0.34 H new ATOM 0 HA PHE A 121 3.331 0.864 -5.792 1.00 0.42 H new ATOM 0 HB2 PHE A 121 3.499 3.720 -6.797 1.00 0.61 H new ATOM 0 HB3 PHE A 121 4.277 2.317 -7.501 1.00 0.61 H new ATOM 0 HD1 PHE A 121 1.293 4.315 -7.397 1.00 0.52 H new ATOM 0 HD2 PHE A 121 2.814 0.494 -8.506 1.00 0.98 H new ATOM 0 HE1 PHE A 121 -0.652 3.966 -8.855 1.00 0.96 H new ATOM 0 HE2 PHE A 121 0.864 0.138 -9.957 1.00 1.49 H new ATOM 0 HZ PHE A 121 -0.867 1.877 -10.142 1.00 1.45 H new ATOM 1476 N VAL A 122 5.334 1.385 -4.380 1.00 0.49 N ATOM 1477 CA VAL A 122 6.508 1.678 -3.580 1.00 0.61 C ATOM 1478 C VAL A 122 7.786 1.313 -4.318 1.00 0.73 C ATOM 1479 O VAL A 122 7.788 0.491 -5.237 1.00 0.95 O ATOM 1480 CB VAL A 122 6.491 1.080 -2.393 1.00 0.77 C ATOM 1481 CG1 VAL A 122 5.399 1.672 -1.510 1.00 1.61 C ATOM 1482 CG2 VAL A 122 6.313 -0.426 -2.515 1.00 1.52 C ATOM 0 H VAL A 122 5.194 0.396 -4.586 1.00 0.49 H new ATOM 0 HA VAL A 122 6.486 2.754 -3.406 1.00 0.61 H new ATOM 0 HB VAL A 122 7.460 1.259 -1.928 1.00 0.77 H new ATOM 0 HG11 VAL A 122 5.401 1.170 -0.543 1.00 1.61 H new ATOM 0 HG12 VAL A 122 5.584 2.736 -1.366 1.00 1.61 H new ATOM 0 HG13 VAL A 122 4.429 1.534 -1.989 1.00 1.61 H new ATOM 0 HG21 VAL A 122 6.305 -0.873 -1.521 1.00 1.52 H new ATOM 0 HG22 VAL A 122 5.370 -0.641 -3.017 1.00 1.52 H new ATOM 0 HG23 VAL A 122 7.136 -0.844 -3.094 1.00 1.52 H new ATOM 1492 N LYS A 123 8.856 1.984 -3.946 1.00 0.76 N ATOM 1493 CA LYS A 123 10.160 1.742 -4.526 1.00 0.97 C ATOM 1494 C LYS A 123 11.223 1.963 -3.466 1.00 1.04 C ATOM 1495 O LYS A 123 11.444 3.088 -3.025 1.00 1.02 O ATOM 1496 CB LYS A 123 10.384 2.661 -5.736 1.00 1.11 C ATOM 1497 CG LYS A 123 11.674 2.396 -6.512 1.00 1.66 C ATOM 1498 CD LYS A 123 12.877 3.128 -5.924 1.00 2.03 C ATOM 1499 CE LYS A 123 12.628 4.626 -5.843 1.00 2.74 C ATOM 1500 NZ LYS A 123 13.866 5.400 -5.566 1.00 3.45 N ATOM 0 H LYS A 123 8.846 2.713 -3.233 1.00 0.76 H new ATOM 0 HA LYS A 123 10.222 0.712 -4.878 1.00 0.97 H new ATOM 0 HB2 LYS A 123 9.539 2.555 -6.416 1.00 1.11 H new ATOM 0 HB3 LYS A 123 10.389 3.696 -5.393 1.00 1.11 H new ATOM 0 HG2 LYS A 123 11.874 1.325 -6.520 1.00 1.66 H new ATOM 0 HG3 LYS A 123 11.539 2.703 -7.549 1.00 1.66 H new ATOM 0 HD2 LYS A 123 13.091 2.739 -4.929 1.00 2.03 H new ATOM 0 HD3 LYS A 123 13.757 2.936 -6.538 1.00 2.03 H new ATOM 0 HE2 LYS A 123 12.193 4.969 -6.782 1.00 2.74 H new ATOM 0 HE3 LYS A 123 11.896 4.827 -5.060 1.00 2.74 H new ATOM 0 HZ1 LYS A 123 13.645 6.416 -5.555 1.00 3.45 H new ATOM 0 HZ2 LYS A 123 14.251 5.119 -4.642 1.00 3.45 H new ATOM 0 HZ3 LYS A 123 14.569 5.207 -6.307 1.00 3.45 H new