USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 414 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 114 SER OG : rot 180:sc= 0.0625 USER MOD Set 1.2: A 117 SER OG : rot 180:sc= -1.28 USER MOD Set 2.1: A 87 ASN : amide:sc= -0.359 K(o=0.21,f=-1) USER MOD Set 2.2: A 89 ASN : amide:sc= 0.565 K(o=0.21,f=-1) USER MOD Set 3.1: A 41 GLN : amide:sc= 0.335 K(o=0.68,f=-0.57) USER MOD Set 3.2: A 43 ASN : amide:sc= 0.349 K(o=0.68,f=-1.5) USER MOD Single : A 32 GLN : amide:sc= -2.36! C(o=-2.4!,f=-7.2!) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0276) USER MOD Single : A 80 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0439) USER MOD Single : A 85 SER OG : rot 12:sc= 0.671 USER MOD Single : A 90 THR OG1 : rot 75:sc= 0.497 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+ 171:sc= -0.0127 (180deg=-0.139) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -1.47 K(o=-1.5,f=0.3) USER MOD Single : A 109 MET CE :methyl -154:sc= -0.694 (180deg=-2.37) USER MOD Single : A 110 LYS NZ :NH3+ -168:sc= 0.461 (180deg=0.342) USER MOD Single : A 111 LYS NZ :NH3+ 166:sc= 0.476 (180deg=0.247) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 29 6.490 -3.095 -6.332 1.00 1.43 N ATOM 51 CA GLY A 29 5.853 -2.181 -5.410 1.00 0.99 C ATOM 52 C GLY A 29 4.536 -1.639 -5.913 1.00 0.78 C ATOM 53 O GLY A 29 4.093 -0.596 -5.458 1.00 1.00 O ATOM 0 HA2 GLY A 29 5.688 -2.691 -4.461 1.00 0.99 H new ATOM 0 HA3 GLY A 29 6.528 -1.348 -5.212 1.00 0.99 H new ATOM 57 N ALA A 30 3.899 -2.332 -6.842 1.00 0.70 N ATOM 58 CA ALA A 30 2.637 -1.853 -7.385 1.00 0.54 C ATOM 59 C ALA A 30 1.476 -2.724 -6.910 1.00 0.49 C ATOM 60 O ALA A 30 1.301 -3.850 -7.373 1.00 0.60 O ATOM 61 CB ALA A 30 2.688 -1.823 -8.908 1.00 0.68 C ATOM 0 H ALA A 30 4.228 -3.215 -7.232 1.00 0.70 H new ATOM 0 HA ALA A 30 2.475 -0.838 -7.022 1.00 0.54 H new ATOM 0 HB1 ALA A 30 1.736 -1.462 -9.297 1.00 0.68 H new ATOM 0 HB2 ALA A 30 3.488 -1.157 -9.232 1.00 0.68 H new ATOM 0 HB3 ALA A 30 2.877 -2.828 -9.286 1.00 0.68 H new ATOM 67 N ILE A 31 0.695 -2.206 -5.977 1.00 0.40 N ATOM 68 CA ILE A 31 -0.448 -2.932 -5.445 1.00 0.39 C ATOM 69 C ILE A 31 -1.646 -2.005 -5.276 1.00 0.35 C ATOM 70 O ILE A 31 -1.488 -0.824 -4.982 1.00 0.36 O ATOM 71 CB ILE A 31 -0.154 -3.547 -4.303 1.00 0.46 C ATOM 72 CG1 ILE A 31 -1.359 -4.268 -3.712 1.00 0.48 C ATOM 73 CG2 ILE A 31 0.466 -2.583 -3.293 1.00 0.52 C ATOM 74 CD1 ILE A 31 -1.109 -4.854 -2.339 1.00 0.90 C ATOM 0 H ILE A 31 0.832 -1.281 -5.570 1.00 0.40 H new ATOM 0 HA ILE A 31 -0.712 -3.704 -6.168 1.00 0.39 H new ATOM 0 HB ILE A 31 0.590 -4.308 -4.537 1.00 0.46 H new ATOM 0 HG12 ILE A 31 -2.194 -3.570 -3.652 1.00 0.48 H new ATOM 0 HG13 ILE A 31 -1.660 -5.068 -4.389 1.00 0.48 H new ATOM 0 HG21 ILE A 31 0.694 -3.119 -2.371 1.00 0.52 H new ATOM 0 HG22 ILE A 31 1.384 -2.164 -3.706 1.00 0.52 H new ATOM 0 HG23 ILE A 31 -0.237 -1.777 -3.080 1.00 0.52 H new ATOM 0 HD11 ILE A 31 -2.013 -5.351 -1.985 1.00 0.90 H new ATOM 0 HD12 ILE A 31 -0.296 -5.577 -2.395 1.00 0.90 H new ATOM 0 HD13 ILE A 31 -0.839 -4.057 -1.647 1.00 0.90 H new ATOM 86 N GLN A 32 -2.828 -2.517 -5.570 1.00 0.38 N ATOM 87 CA GLN A 32 -4.042 -1.727 -5.464 1.00 0.40 C ATOM 88 C GLN A 32 -4.934 -2.292 -4.358 1.00 0.37 C ATOM 89 O GLN A 32 -5.176 -3.506 -4.290 1.00 0.44 O ATOM 90 CB GLN A 32 -4.754 -1.678 -6.831 1.00 0.50 C ATOM 91 CG GLN A 32 -6.013 -2.517 -6.958 1.00 0.55 C ATOM 92 CD GLN A 32 -7.270 -1.726 -6.645 1.00 1.11 C ATOM 93 OE1 GLN A 32 -7.692 -1.642 -5.498 1.00 2.22 O ATOM 94 NE2 GLN A 32 -7.891 -1.163 -7.672 1.00 0.93 N ATOM 0 H GLN A 32 -2.973 -3.477 -5.884 1.00 0.38 H new ATOM 0 HA GLN A 32 -3.799 -0.701 -5.189 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -5.009 -0.641 -7.048 1.00 0.50 H new ATOM 0 HB3 GLN A 32 -4.049 -2.000 -7.597 1.00 0.50 H new ATOM 0 HG2 GLN A 32 -6.080 -2.915 -7.970 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -5.947 -3.371 -6.284 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -7.508 -1.256 -8.613 1.00 0.93 H new ATOM 0 HE22 GLN A 32 -8.752 -0.637 -7.521 1.00 0.93 H new ATOM 103 N LEU A 33 -5.385 -1.423 -3.472 1.00 0.34 N ATOM 104 CA LEU A 33 -6.224 -1.843 -2.361 1.00 0.36 C ATOM 105 C LEU A 33 -7.436 -0.942 -2.212 1.00 0.35 C ATOM 106 O LEU A 33 -7.464 0.179 -2.712 1.00 0.43 O ATOM 107 CB LEU A 33 -5.398 -1.897 -1.068 1.00 0.45 C ATOM 108 CG LEU A 33 -4.586 -0.641 -0.723 1.00 0.46 C ATOM 109 CD1 LEU A 33 -5.455 0.428 -0.076 1.00 0.72 C ATOM 110 CD2 LEU A 33 -3.425 -1.003 0.187 1.00 0.71 C ATOM 0 H LEU A 33 -5.186 -0.423 -3.499 1.00 0.34 H new ATOM 0 HA LEU A 33 -6.598 -2.845 -2.570 1.00 0.36 H new ATOM 0 HB2 LEU A 33 -6.075 -2.105 -0.239 1.00 0.45 H new ATOM 0 HB3 LEU A 33 -4.710 -2.740 -1.137 1.00 0.45 H new ATOM 0 HG LEU A 33 -4.195 -0.229 -1.653 1.00 0.46 H new ATOM 0 HD11 LEU A 33 -4.846 1.302 0.154 1.00 0.72 H new ATOM 0 HD12 LEU A 33 -6.253 0.712 -0.762 1.00 0.72 H new ATOM 0 HD13 LEU A 33 -5.889 0.036 0.844 1.00 0.72 H new ATOM 0 HD21 LEU A 33 -2.856 -0.105 0.425 1.00 0.71 H new ATOM 0 HD22 LEU A 33 -3.808 -1.445 1.107 1.00 0.71 H new ATOM 0 HD23 LEU A 33 -2.777 -1.720 -0.317 1.00 0.71 H new ATOM 122 N ASP A 34 -8.447 -1.450 -1.538 1.00 0.35 N ATOM 123 CA ASP A 34 -9.663 -0.684 -1.314 1.00 0.45 C ATOM 124 C ASP A 34 -9.457 0.344 -0.220 1.00 0.53 C ATOM 125 O ASP A 34 -8.565 0.217 0.619 1.00 0.58 O ATOM 126 CB ASP A 34 -10.862 -1.589 -0.982 1.00 0.55 C ATOM 127 CG ASP A 34 -10.648 -2.492 0.223 1.00 0.65 C ATOM 128 OD1 ASP A 34 -10.280 -1.989 1.306 1.00 0.88 O ATOM 129 OD2 ASP A 34 -10.880 -3.715 0.089 1.00 1.15 O ATOM 0 H ASP A 34 -8.454 -2.387 -1.135 1.00 0.35 H new ATOM 0 HA ASP A 34 -9.892 -0.166 -2.245 1.00 0.45 H new ATOM 0 HB2 ASP A 34 -11.736 -0.963 -0.802 1.00 0.55 H new ATOM 0 HB3 ASP A 34 -11.087 -2.208 -1.850 1.00 0.55 H new ATOM 134 N GLY A 35 -10.293 1.367 -0.240 1.00 0.67 N ATOM 135 CA GLY A 35 -10.197 2.434 0.733 1.00 0.84 C ATOM 136 C GLY A 35 -10.776 2.051 2.078 1.00 0.85 C ATOM 137 O GLY A 35 -11.303 2.897 2.804 1.00 1.20 O ATOM 0 H GLY A 35 -11.045 1.479 -0.920 1.00 0.67 H new ATOM 0 HA2 GLY A 35 -9.151 2.713 0.858 1.00 0.84 H new ATOM 0 HA3 GLY A 35 -10.718 3.313 0.355 1.00 0.84 H new ATOM 141 N ASP A 36 -10.687 0.776 2.404 1.00 0.69 N ATOM 142 CA ASP A 36 -11.176 0.277 3.671 1.00 0.83 C ATOM 143 C ASP A 36 -10.043 -0.408 4.427 1.00 0.83 C ATOM 144 O ASP A 36 -9.995 -0.391 5.658 1.00 1.10 O ATOM 145 CB ASP A 36 -12.323 -0.695 3.434 1.00 0.89 C ATOM 146 CG ASP A 36 -13.452 -0.514 4.431 1.00 1.24 C ATOM 147 OD1 ASP A 36 -14.631 -0.616 4.022 1.00 1.81 O ATOM 148 OD2 ASP A 36 -13.174 -0.240 5.615 1.00 1.77 O ATOM 0 H ASP A 36 -10.276 0.063 1.802 1.00 0.69 H new ATOM 0 HA ASP A 36 -11.543 1.110 4.271 1.00 0.83 H new ATOM 0 HB2 ASP A 36 -12.709 -0.558 2.424 1.00 0.89 H new ATOM 0 HB3 ASP A 36 -11.948 -1.717 3.496 1.00 0.89 H new ATOM 153 N GLY A 37 -9.127 -1.010 3.681 1.00 0.67 N ATOM 154 CA GLY A 37 -7.957 -1.602 4.292 1.00 0.81 C ATOM 155 C GLY A 37 -7.711 -3.025 3.837 1.00 0.78 C ATOM 156 O GLY A 37 -7.026 -3.792 4.523 1.00 1.05 O ATOM 0 H GLY A 37 -9.174 -1.098 2.666 1.00 0.67 H new ATOM 0 HA2 GLY A 37 -7.083 -0.994 4.056 1.00 0.81 H new ATOM 0 HA3 GLY A 37 -8.072 -1.587 5.376 1.00 0.81 H new ATOM 160 N ASN A 38 -8.266 -3.390 2.689 1.00 0.61 N ATOM 161 CA ASN A 38 -8.075 -4.730 2.143 1.00 0.73 C ATOM 162 C ASN A 38 -7.534 -4.647 0.731 1.00 0.57 C ATOM 163 O ASN A 38 -7.704 -3.641 0.045 1.00 0.49 O ATOM 164 CB ASN A 38 -9.388 -5.513 2.142 1.00 0.95 C ATOM 165 CG ASN A 38 -10.112 -5.451 3.472 1.00 1.13 C ATOM 166 OD1 ASN A 38 -9.839 -6.235 4.381 1.00 1.57 O ATOM 167 ND2 ASN A 38 -11.043 -4.515 3.590 1.00 1.38 N ATOM 0 H ASN A 38 -8.851 -2.780 2.118 1.00 0.61 H new ATOM 0 HA ASN A 38 -7.358 -5.252 2.777 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -10.039 -5.120 1.361 1.00 0.95 H new ATOM 0 HB3 ASN A 38 -9.184 -6.554 1.893 1.00 0.95 H new ATOM 0 HD21 ASN A 38 -11.566 -4.423 4.461 1.00 1.38 H new ATOM 0 HD22 ASN A 38 -11.236 -3.887 2.810 1.00 1.38 H new ATOM 174 N ILE A 39 -6.877 -5.707 0.301 1.00 0.65 N ATOM 175 CA ILE A 39 -6.297 -5.746 -1.024 1.00 0.57 C ATOM 176 C ILE A 39 -7.366 -6.105 -2.051 1.00 0.59 C ATOM 177 O ILE A 39 -8.288 -6.859 -1.751 1.00 0.77 O ATOM 178 CB ILE A 39 -5.297 -6.626 -1.081 1.00 0.62 C ATOM 179 CG1 ILE A 39 -4.229 -6.326 -0.034 1.00 0.72 C ATOM 180 CG2 ILE A 39 -4.664 -6.680 -2.469 1.00 0.61 C ATOM 181 CD1 ILE A 39 -3.683 -4.915 -0.080 1.00 1.18 C ATOM 0 H ILE A 39 -6.732 -6.553 0.852 1.00 0.65 H new ATOM 0 HA ILE A 39 -5.897 -4.758 -1.251 1.00 0.57 H new ATOM 0 HB ILE A 39 -5.731 -7.603 -0.867 1.00 0.62 H new ATOM 0 HG12 ILE A 39 -4.648 -6.508 0.956 1.00 0.72 H new ATOM 0 HG13 ILE A 39 -3.404 -7.026 -0.165 1.00 0.72 H new ATOM 0 HG21 ILE A 39 -3.854 -7.409 -2.471 1.00 0.61 H new ATOM 0 HG22 ILE A 39 -5.417 -6.972 -3.201 1.00 0.61 H new ATOM 0 HG23 ILE A 39 -4.269 -5.698 -2.727 1.00 0.61 H new ATOM 0 HD11 ILE A 39 -2.930 -4.791 0.698 1.00 1.18 H new ATOM 0 HD12 ILE A 39 -3.231 -4.731 -1.055 1.00 1.18 H new ATOM 0 HD13 ILE A 39 -4.494 -4.205 0.083 1.00 1.18 H new ATOM 193 N LEU A 40 -7.291 -5.497 -3.223 1.00 0.51 N ATOM 194 CA LEU A 40 -8.158 -5.879 -4.326 1.00 0.61 C ATOM 195 C LEU A 40 -7.337 -6.585 -5.392 1.00 0.60 C ATOM 196 O LEU A 40 -7.645 -7.709 -5.794 1.00 0.72 O ATOM 197 CB LEU A 40 -8.869 -4.659 -4.922 1.00 0.66 C ATOM 198 CG LEU A 40 -9.805 -3.925 -3.964 1.00 1.07 C ATOM 199 CD1 LEU A 40 -10.463 -2.745 -4.657 1.00 1.56 C ATOM 200 CD2 LEU A 40 -10.861 -4.875 -3.419 1.00 1.54 C ATOM 0 H LEU A 40 -6.642 -4.740 -3.435 1.00 0.51 H new ATOM 0 HA LEU A 40 -8.924 -6.556 -3.948 1.00 0.61 H new ATOM 0 HB2 LEU A 40 -8.116 -3.957 -5.279 1.00 0.66 H new ATOM 0 HB3 LEU A 40 -9.443 -4.980 -5.791 1.00 0.66 H new ATOM 0 HG LEU A 40 -9.213 -3.548 -3.130 1.00 1.07 H new ATOM 0 HD11 LEU A 40 -11.126 -2.236 -3.957 1.00 1.56 H new ATOM 0 HD12 LEU A 40 -9.696 -2.051 -5.001 1.00 1.56 H new ATOM 0 HD13 LEU A 40 -11.040 -3.100 -5.511 1.00 1.56 H new ATOM 0 HD21 LEU A 40 -11.519 -4.335 -2.738 1.00 1.54 H new ATOM 0 HD22 LEU A 40 -11.446 -5.281 -4.244 1.00 1.54 H new ATOM 0 HD23 LEU A 40 -10.375 -5.691 -2.884 1.00 1.54 H new ATOM 212 N GLN A 41 -6.269 -5.928 -5.820 1.00 0.50 N ATOM 213 CA GLN A 41 -5.371 -6.496 -6.814 1.00 0.55 C ATOM 214 C GLN A 41 -3.918 -6.318 -6.390 1.00 0.46 C ATOM 215 O GLN A 41 -3.430 -5.197 -6.244 1.00 0.46 O ATOM 216 CB GLN A 41 -5.607 -5.854 -8.186 1.00 0.67 C ATOM 217 CG GLN A 41 -4.673 -6.366 -9.275 1.00 1.08 C ATOM 218 CD GLN A 41 -4.776 -7.865 -9.490 1.00 1.73 C ATOM 219 OE1 GLN A 41 -5.835 -8.463 -9.304 1.00 2.41 O ATOM 220 NE2 GLN A 41 -3.673 -8.483 -9.870 1.00 2.37 N ATOM 0 H GLN A 41 -6.003 -4.999 -5.493 1.00 0.50 H new ATOM 0 HA GLN A 41 -5.581 -7.563 -6.891 1.00 0.55 H new ATOM 0 HB2 GLN A 41 -6.638 -6.037 -8.489 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.488 -4.774 -8.097 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -4.900 -5.854 -10.210 1.00 1.08 H new ATOM 0 HG3 GLN A 41 -3.646 -6.112 -9.014 1.00 1.08 H new ATOM 0 HE21 GLN A 41 -2.814 -7.952 -10.014 1.00 2.37 H new ATOM 0 HE22 GLN A 41 -3.679 -9.492 -10.020 1.00 2.37 H new ATOM 229 N TYR A 42 -3.235 -7.433 -6.182 1.00 0.57 N ATOM 230 CA TYR A 42 -1.827 -7.419 -5.811 1.00 0.58 C ATOM 231 C TYR A 42 -0.989 -7.843 -7.006 1.00 0.65 C ATOM 232 O TYR A 42 -1.138 -8.955 -7.513 1.00 0.79 O ATOM 233 CB TYR A 42 -1.583 -8.347 -4.614 1.00 0.71 C ATOM 234 CG TYR A 42 -0.132 -8.446 -4.179 1.00 0.82 C ATOM 235 CD1 TYR A 42 0.442 -9.681 -3.902 1.00 1.09 C ATOM 236 CD2 TYR A 42 0.659 -7.311 -4.042 1.00 0.82 C ATOM 237 CE1 TYR A 42 1.759 -9.783 -3.500 1.00 1.26 C ATOM 238 CE2 TYR A 42 1.980 -7.405 -3.641 1.00 1.02 C ATOM 239 CZ TYR A 42 2.526 -8.644 -3.372 1.00 1.21 C ATOM 240 OH TYR A 42 3.841 -8.744 -2.971 1.00 1.42 O ATOM 0 H TYR A 42 -3.637 -8.367 -6.265 1.00 0.57 H new ATOM 0 HA TYR A 42 -1.537 -6.410 -5.517 1.00 0.58 H new ATOM 0 HB2 TYR A 42 -2.179 -7.996 -3.771 1.00 0.71 H new ATOM 0 HB3 TYR A 42 -1.943 -9.345 -4.865 1.00 0.71 H new ATOM 0 HD1 TYR A 42 -0.153 -10.577 -4.003 1.00 1.09 H new ATOM 0 HD2 TYR A 42 0.235 -6.340 -4.252 1.00 0.82 H new ATOM 0 HE1 TYR A 42 2.187 -10.751 -3.287 1.00 1.26 H new ATOM 0 HE2 TYR A 42 2.581 -6.513 -3.539 1.00 1.02 H new ATOM 0 HH TYR A 42 4.240 -7.850 -2.932 1.00 1.42 H new ATOM 250 N ASN A 43 -0.133 -6.947 -7.470 1.00 0.63 N ATOM 251 CA ASN A 43 0.688 -7.211 -8.644 1.00 0.75 C ATOM 252 C ASN A 43 2.089 -7.632 -8.231 1.00 0.92 C ATOM 253 O ASN A 43 2.924 -6.798 -7.880 1.00 1.02 O ATOM 254 CB ASN A 43 0.755 -5.978 -9.551 1.00 0.78 C ATOM 255 CG ASN A 43 -0.603 -5.569 -10.095 1.00 0.73 C ATOM 256 OD1 ASN A 43 -1.479 -6.408 -10.311 1.00 1.21 O ATOM 257 ND2 ASN A 43 -0.789 -4.275 -10.307 1.00 0.88 N ATOM 0 H ASN A 43 0.013 -6.028 -7.052 1.00 0.63 H new ATOM 0 HA ASN A 43 0.226 -8.026 -9.202 1.00 0.75 H new ATOM 0 HB2 ASN A 43 1.183 -5.145 -8.993 1.00 0.78 H new ATOM 0 HB3 ASN A 43 1.428 -6.182 -10.384 1.00 0.78 H new ATOM 0 HD21 ASN A 43 -1.684 -3.940 -10.662 1.00 0.88 H new ATOM 0 HD22 ASN A 43 -0.037 -3.613 -10.115 1.00 0.88 H new ATOM 756 N GLY A 77 0.487 5.678 3.887 1.00 3.20 N ATOM 757 CA GLY A 77 0.992 7.024 4.074 1.00 2.71 C ATOM 758 C GLY A 77 -0.087 7.964 4.551 1.00 1.94 C ATOM 759 O GLY A 77 -0.769 8.587 3.738 1.00 2.44 O ATOM 0 HA2 GLY A 77 1.808 7.009 4.797 1.00 2.71 H new ATOM 0 HA3 GLY A 77 1.405 7.391 3.135 1.00 2.71 H new ATOM 763 N LYS A 78 -0.249 8.054 5.874 1.00 1.39 N ATOM 764 CA LYS A 78 -1.302 8.875 6.472 1.00 1.29 C ATOM 765 C LYS A 78 -2.666 8.412 5.964 1.00 1.03 C ATOM 766 O LYS A 78 -3.560 9.217 5.704 1.00 1.02 O ATOM 767 CB LYS A 78 -1.084 10.360 6.149 1.00 2.10 C ATOM 768 CG LYS A 78 0.243 10.921 6.650 1.00 2.61 C ATOM 769 CD LYS A 78 0.382 10.778 8.159 1.00 3.18 C ATOM 770 CE LYS A 78 1.579 11.551 8.693 1.00 3.78 C ATOM 771 NZ LYS A 78 2.864 11.098 8.091 1.00 4.14 N ATOM 0 H LYS A 78 0.338 7.567 6.551 1.00 1.39 H new ATOM 0 HA LYS A 78 -1.266 8.758 7.555 1.00 1.29 H new ATOM 0 HB2 LYS A 78 -1.139 10.497 5.069 1.00 2.10 H new ATOM 0 HB3 LYS A 78 -1.898 10.938 6.586 1.00 2.10 H new ATOM 0 HG2 LYS A 78 1.066 10.402 6.158 1.00 2.61 H new ATOM 0 HG3 LYS A 78 0.320 11.973 6.376 1.00 2.61 H new ATOM 0 HD2 LYS A 78 -0.527 11.136 8.643 1.00 3.18 H new ATOM 0 HD3 LYS A 78 0.486 9.724 8.416 1.00 3.18 H new ATOM 0 HE2 LYS A 78 1.441 12.613 8.491 1.00 3.78 H new ATOM 0 HE3 LYS A 78 1.628 11.436 9.776 1.00 3.78 H new ATOM 0 HZ1 LYS A 78 3.655 11.595 8.548 1.00 4.14 H new ATOM 0 HZ2 LYS A 78 2.971 10.073 8.232 1.00 4.14 H new ATOM 0 HZ3 LYS A 78 2.864 11.309 7.073 1.00 4.14 H new ATOM 785 N PHE A 79 -2.823 7.094 5.877 1.00 0.95 N ATOM 786 CA PHE A 79 -3.987 6.478 5.242 1.00 0.77 C ATOM 787 C PHE A 79 -5.295 6.953 5.873 1.00 0.70 C ATOM 788 O PHE A 79 -6.337 7.018 5.189 1.00 0.64 O ATOM 789 CB PHE A 79 -3.880 4.950 5.338 1.00 0.88 C ATOM 790 CG PHE A 79 -4.904 4.209 4.524 1.00 0.79 C ATOM 791 CD1 PHE A 79 -6.068 3.735 5.110 1.00 0.86 C ATOM 792 CD2 PHE A 79 -4.699 3.985 3.173 1.00 0.78 C ATOM 793 CE1 PHE A 79 -7.006 3.051 4.362 1.00 0.85 C ATOM 794 CE2 PHE A 79 -5.634 3.302 2.421 1.00 0.84 C ATOM 795 CZ PHE A 79 -6.789 2.835 3.015 1.00 0.82 C ATOM 0 H PHE A 79 -2.148 6.423 6.244 1.00 0.95 H new ATOM 0 HA PHE A 79 -3.998 6.781 4.195 1.00 0.77 H new ATOM 0 HB2 PHE A 79 -2.885 4.645 5.014 1.00 0.88 H new ATOM 0 HB3 PHE A 79 -3.979 4.655 6.383 1.00 0.88 H new ATOM 0 HD1 PHE A 79 -6.243 3.903 6.163 1.00 0.86 H new ATOM 0 HD2 PHE A 79 -3.798 4.349 2.702 1.00 0.78 H new ATOM 0 HE1 PHE A 79 -7.908 2.685 4.830 1.00 0.85 H new ATOM 0 HE2 PHE A 79 -5.462 3.133 1.368 1.00 0.84 H new ATOM 0 HZ PHE A 79 -7.522 2.302 2.428 1.00 0.82 H new ATOM 805 N LYS A 80 -5.220 7.330 7.160 1.00 0.82 N ATOM 806 CA LYS A 80 -6.409 7.714 7.916 1.00 0.89 C ATOM 807 C LYS A 80 -6.949 9.043 7.410 1.00 0.81 C ATOM 808 O LYS A 80 -8.159 9.273 7.382 1.00 0.87 O ATOM 809 CB LYS A 80 -6.087 7.809 9.407 1.00 1.12 C ATOM 810 CG LYS A 80 -5.581 6.506 10.004 1.00 1.66 C ATOM 811 CD LYS A 80 -5.199 6.679 11.463 1.00 2.17 C ATOM 812 CE LYS A 80 -4.609 5.406 12.043 1.00 2.87 C ATOM 813 NZ LYS A 80 -5.598 4.297 12.091 1.00 3.48 N ATOM 0 H LYS A 80 -4.350 7.375 7.691 1.00 0.82 H new ATOM 0 HA LYS A 80 -7.171 6.948 7.773 1.00 0.89 H new ATOM 0 HB2 LYS A 80 -5.336 8.585 9.559 1.00 1.12 H new ATOM 0 HB3 LYS A 80 -6.982 8.122 9.944 1.00 1.12 H new ATOM 0 HG2 LYS A 80 -6.351 5.740 9.916 1.00 1.66 H new ATOM 0 HG3 LYS A 80 -4.717 6.156 9.439 1.00 1.66 H new ATOM 0 HD2 LYS A 80 -4.477 7.490 11.557 1.00 2.17 H new ATOM 0 HD3 LYS A 80 -6.079 6.967 12.038 1.00 2.17 H new ATOM 0 HE2 LYS A 80 -3.752 5.100 11.444 1.00 2.87 H new ATOM 0 HE3 LYS A 80 -4.240 5.605 13.049 1.00 2.87 H new ATOM 0 HZ1 LYS A 80 -5.182 3.482 12.586 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -6.449 4.613 12.598 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -5.855 4.019 11.122 1.00 3.48 H new ATOM 827 N GLU A 81 -6.044 9.908 6.991 1.00 0.78 N ATOM 828 CA GLU A 81 -6.426 11.188 6.432 1.00 0.78 C ATOM 829 C GLU A 81 -6.681 11.036 4.945 1.00 0.62 C ATOM 830 O GLU A 81 -7.507 11.738 4.380 1.00 0.64 O ATOM 831 CB GLU A 81 -5.340 12.234 6.691 1.00 0.96 C ATOM 832 CG GLU A 81 -5.661 13.614 6.139 1.00 1.53 C ATOM 833 CD GLU A 81 -6.993 14.149 6.623 1.00 2.31 C ATOM 834 OE1 GLU A 81 -7.902 14.348 5.788 1.00 3.07 O ATOM 835 OE2 GLU A 81 -7.141 14.370 7.844 1.00 2.63 O ATOM 0 H GLU A 81 -5.038 9.745 7.028 1.00 0.78 H new ATOM 0 HA GLU A 81 -7.341 11.529 6.915 1.00 0.78 H new ATOM 0 HB2 GLU A 81 -5.177 12.314 7.766 1.00 0.96 H new ATOM 0 HB3 GLU A 81 -4.405 11.887 6.251 1.00 0.96 H new ATOM 0 HG2 GLU A 81 -4.871 14.307 6.427 1.00 1.53 H new ATOM 0 HG3 GLU A 81 -5.667 13.572 5.050 1.00 1.53 H new ATOM 842 N GLY A 82 -5.996 10.085 4.328 1.00 0.55 N ATOM 843 CA GLY A 82 -6.143 9.851 2.920 1.00 0.47 C ATOM 844 C GLY A 82 -7.572 9.531 2.550 1.00 0.46 C ATOM 845 O GLY A 82 -8.087 9.980 1.522 1.00 0.49 O ATOM 0 H GLY A 82 -5.332 9.466 4.793 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -5.814 10.732 2.369 1.00 0.47 H new ATOM 0 HA3 GLY A 82 -5.496 9.027 2.619 1.00 0.47 H new ATOM 849 N VAL A 83 -8.212 8.759 3.411 1.00 0.51 N ATOM 850 CA VAL A 83 -9.608 8.389 3.236 1.00 0.61 C ATOM 851 C VAL A 83 -10.508 9.613 3.376 1.00 0.70 C ATOM 852 O VAL A 83 -11.345 9.891 2.513 1.00 0.79 O ATOM 853 CB VAL A 83 -9.959 7.489 4.140 1.00 0.70 C ATOM 854 CG1 VAL A 83 -11.433 7.116 4.006 1.00 0.85 C ATOM 855 CG2 VAL A 83 -9.089 6.246 4.041 1.00 0.69 C ATOM 0 H VAL A 83 -7.781 8.371 4.250 1.00 0.51 H new ATOM 0 HA VAL A 83 -9.725 7.969 2.237 1.00 0.61 H new ATOM 0 HB VAL A 83 -9.808 7.937 5.122 1.00 0.70 H new ATOM 0 HG11 VAL A 83 -11.691 6.375 4.762 1.00 0.85 H new ATOM 0 HG12 VAL A 83 -12.047 8.005 4.145 1.00 0.85 H new ATOM 0 HG13 VAL A 83 -11.615 6.701 3.015 1.00 0.85 H new ATOM 0 HG21 VAL A 83 -9.400 5.523 4.796 1.00 0.69 H new ATOM 0 HG22 VAL A 83 -9.196 5.805 3.050 1.00 0.69 H new ATOM 0 HG23 VAL A 83 -8.046 6.518 4.206 1.00 0.69 H new ATOM 865 N ALA A 84 -10.274 10.379 4.434 1.00 0.76 N ATOM 866 CA ALA A 84 -11.146 11.486 4.787 1.00 0.94 C ATOM 867 C ALA A 84 -10.895 12.688 3.896 1.00 0.88 C ATOM 868 O ALA A 84 -11.786 13.508 3.685 1.00 1.07 O ATOM 869 CB ALA A 84 -10.977 11.853 6.251 1.00 1.12 C ATOM 0 H ALA A 84 -9.482 10.251 5.064 1.00 0.76 H new ATOM 0 HA ALA A 84 -12.176 11.167 4.630 1.00 0.94 H new ATOM 0 HB1 ALA A 84 -11.638 12.684 6.496 1.00 1.12 H new ATOM 0 HB2 ALA A 84 -11.228 10.994 6.873 1.00 1.12 H new ATOM 0 HB3 ALA A 84 -9.943 12.145 6.436 1.00 1.12 H new ATOM 875 N SER A 85 -9.681 12.788 3.377 1.00 0.76 N ATOM 876 CA SER A 85 -9.372 13.804 2.373 1.00 0.84 C ATOM 877 C SER A 85 -10.261 13.600 1.149 1.00 0.94 C ATOM 878 O SER A 85 -10.578 14.544 0.427 1.00 1.22 O ATOM 879 CB SER A 85 -7.892 13.766 1.980 1.00 1.19 C ATOM 880 OG SER A 85 -7.064 14.139 3.071 1.00 1.88 O ATOM 0 H SER A 85 -8.897 12.186 3.629 1.00 0.76 H new ATOM 0 HA SER A 85 -9.570 14.787 2.801 1.00 0.84 H new ATOM 0 HB2 SER A 85 -7.627 12.763 1.645 1.00 1.19 H new ATOM 0 HB3 SER A 85 -7.718 14.439 1.141 1.00 1.19 H new ATOM 0 HG SER A 85 -7.595 14.152 3.895 1.00 1.88 H new ATOM 886 N GLY A 86 -10.657 12.353 0.923 1.00 0.96 N ATOM 887 CA GLY A 86 -11.670 12.067 -0.072 1.00 1.46 C ATOM 888 C GLY A 86 -11.106 11.465 -1.331 1.00 1.21 C ATOM 889 O GLY A 86 -11.851 10.979 -2.182 1.00 1.66 O ATOM 0 H GLY A 86 -10.294 11.535 1.412 1.00 0.96 H new ATOM 0 HA2 GLY A 86 -12.406 11.384 0.353 1.00 1.46 H new ATOM 0 HA3 GLY A 86 -12.197 12.988 -0.321 1.00 1.46 H new ATOM 893 N ASN A 87 -9.790 11.477 -1.444 1.00 0.66 N ATOM 894 CA ASN A 87 -9.120 10.969 -2.631 1.00 0.67 C ATOM 895 C ASN A 87 -7.621 10.878 -2.388 1.00 0.52 C ATOM 896 O ASN A 87 -6.830 11.571 -3.018 1.00 0.72 O ATOM 897 CB ASN A 87 -9.447 11.817 -3.884 1.00 0.95 C ATOM 898 CG ASN A 87 -9.066 13.287 -3.774 1.00 1.40 C ATOM 899 OD1 ASN A 87 -7.978 13.691 -4.175 1.00 2.08 O ATOM 900 ND2 ASN A 87 -9.968 14.102 -3.256 1.00 1.72 N ATOM 0 H ASN A 87 -9.160 11.834 -0.726 1.00 0.66 H new ATOM 0 HA ASN A 87 -9.496 9.965 -2.830 1.00 0.67 H new ATOM 0 HB2 ASN A 87 -8.932 11.386 -4.743 1.00 0.95 H new ATOM 0 HB3 ASN A 87 -10.516 11.747 -4.085 1.00 0.95 H new ATOM 0 HD21 ASN A 87 -9.770 15.100 -3.180 1.00 1.72 H new ATOM 0 HD22 ASN A 87 -10.862 13.733 -2.932 1.00 1.72 H new ATOM 907 N LEU A 88 -7.263 10.034 -1.419 1.00 0.40 N ATOM 908 CA LEU A 88 -5.874 9.730 -1.081 1.00 0.32 C ATOM 909 C LEU A 88 -4.999 9.637 -2.320 1.00 0.30 C ATOM 910 O LEU A 88 -5.049 8.649 -3.039 1.00 0.34 O ATOM 911 CB LEU A 88 -5.825 8.394 -0.346 1.00 0.37 C ATOM 912 CG LEU A 88 -4.670 8.242 0.613 1.00 0.42 C ATOM 913 CD1 LEU A 88 -4.837 6.988 1.456 1.00 0.56 C ATOM 914 CD2 LEU A 88 -3.333 8.221 -0.106 1.00 0.48 C ATOM 0 H LEU A 88 -7.939 9.536 -0.840 1.00 0.40 H new ATOM 0 HA LEU A 88 -5.494 10.538 -0.455 1.00 0.32 H new ATOM 0 HB2 LEU A 88 -6.756 8.264 0.205 1.00 0.37 H new ATOM 0 HB3 LEU A 88 -5.776 7.592 -1.082 1.00 0.37 H new ATOM 0 HG LEU A 88 -4.676 9.113 1.268 1.00 0.42 H new ATOM 0 HD11 LEU A 88 -3.995 6.895 2.141 1.00 0.56 H new ATOM 0 HD12 LEU A 88 -5.763 7.054 2.027 1.00 0.56 H new ATOM 0 HD13 LEU A 88 -4.873 6.114 0.805 1.00 0.56 H new ATOM 0 HD21 LEU A 88 -2.530 8.110 0.622 1.00 0.48 H new ATOM 0 HD22 LEU A 88 -3.308 7.384 -0.804 1.00 0.48 H new ATOM 0 HD23 LEU A 88 -3.200 9.154 -0.654 1.00 0.48 H new ATOM 926 N ASN A 89 -4.229 10.674 -2.585 1.00 0.32 N ATOM 927 CA ASN A 89 -3.296 10.648 -3.694 1.00 0.34 C ATOM 928 C ASN A 89 -2.037 11.445 -3.333 1.00 0.40 C ATOM 929 O ASN A 89 -2.050 12.673 -3.304 1.00 0.50 O ATOM 930 CB ASN A 89 -3.999 11.148 -4.978 1.00 0.41 C ATOM 931 CG ASN A 89 -4.114 12.663 -5.091 1.00 1.12 C ATOM 932 OD1 ASN A 89 -3.298 13.313 -5.743 1.00 2.01 O ATOM 933 ND2 ASN A 89 -5.128 13.231 -4.455 1.00 1.62 N ATOM 0 H ASN A 89 -4.231 11.542 -2.050 1.00 0.32 H new ATOM 0 HA ASN A 89 -2.968 9.628 -3.896 1.00 0.34 H new ATOM 0 HB2 ASN A 89 -3.454 10.773 -5.844 1.00 0.41 H new ATOM 0 HB3 ASN A 89 -4.999 10.717 -5.020 1.00 0.41 H new ATOM 0 HD21 ASN A 89 -5.253 14.242 -4.496 1.00 1.62 H new ATOM 0 HD22 ASN A 89 -5.783 12.657 -3.925 1.00 1.62 H new ATOM 940 N THR A 90 -0.958 10.743 -2.986 1.00 0.39 N ATOM 941 CA THR A 90 0.275 11.401 -2.591 1.00 0.50 C ATOM 942 C THR A 90 1.493 10.710 -3.174 1.00 0.55 C ATOM 943 O THR A 90 1.443 9.528 -3.523 1.00 0.69 O ATOM 944 CB THR A 90 0.408 11.449 -1.276 1.00 0.68 C ATOM 945 OG1 THR A 90 -0.057 10.220 -0.690 1.00 1.67 O ATOM 946 CG2 THR A 90 -0.339 12.624 -0.670 1.00 1.22 C ATOM 0 H THR A 90 -0.918 9.724 -2.972 1.00 0.39 H new ATOM 0 HA THR A 90 0.212 12.416 -2.984 1.00 0.50 H new ATOM 0 HB THR A 90 1.468 11.584 -1.059 1.00 0.68 H new ATOM 0 HG1 THR A 90 0.602 9.512 -0.849 1.00 1.67 H new ATOM 0 HG21 THR A 90 -0.202 12.624 0.411 1.00 1.22 H new ATOM 0 HG22 THR A 90 0.049 13.555 -1.085 1.00 1.22 H new ATOM 0 HG23 THR A 90 -1.401 12.538 -0.901 1.00 1.22 H new ATOM 954 N MET A 91 2.566 11.471 -3.333 1.00 0.72 N ATOM 955 CA MET A 91 3.858 10.914 -3.704 1.00 1.00 C ATOM 956 C MET A 91 4.958 11.599 -2.914 1.00 0.88 C ATOM 957 O MET A 91 4.939 12.817 -2.722 1.00 0.92 O ATOM 958 CB MET A 91 4.141 11.021 -5.213 1.00 1.53 C ATOM 959 CG MET A 91 4.266 12.441 -5.749 1.00 2.33 C ATOM 960 SD MET A 91 2.686 13.288 -5.907 1.00 3.24 S ATOM 961 CE MET A 91 3.223 14.884 -6.519 1.00 3.94 C ATOM 0 H MET A 91 2.566 12.484 -3.210 1.00 0.72 H new ATOM 0 HA MET A 91 3.834 9.851 -3.463 1.00 1.00 H new ATOM 0 HB2 MET A 91 5.064 10.484 -5.433 1.00 1.53 H new ATOM 0 HB3 MET A 91 3.341 10.515 -5.753 1.00 1.53 H new ATOM 0 HG2 MET A 91 4.913 13.016 -5.086 1.00 2.33 H new ATOM 0 HG3 MET A 91 4.753 12.412 -6.724 1.00 2.33 H new ATOM 0 HE1 MET A 91 2.356 15.527 -6.669 1.00 3.94 H new ATOM 0 HE2 MET A 91 3.895 15.344 -5.795 1.00 3.94 H new ATOM 0 HE3 MET A 91 3.745 14.753 -7.467 1.00 3.94 H new ATOM 971 N PHE A 92 5.909 10.811 -2.447 1.00 0.98 N ATOM 972 CA PHE A 92 6.973 11.307 -1.592 1.00 1.01 C ATOM 973 C PHE A 92 8.109 10.296 -1.562 1.00 0.90 C ATOM 974 O PHE A 92 7.871 9.090 -1.538 1.00 0.85 O ATOM 975 CB PHE A 92 6.425 11.545 -0.175 1.00 1.24 C ATOM 976 CG PHE A 92 7.427 12.093 0.805 1.00 1.49 C ATOM 977 CD1 PHE A 92 7.728 13.445 0.828 1.00 1.94 C ATOM 978 CD2 PHE A 92 8.058 11.255 1.711 1.00 1.58 C ATOM 979 CE1 PHE A 92 8.640 13.951 1.733 1.00 2.47 C ATOM 980 CE2 PHE A 92 8.973 11.757 2.618 1.00 2.01 C ATOM 981 CZ PHE A 92 9.264 13.105 2.630 1.00 2.46 C ATOM 0 H PHE A 92 5.966 9.813 -2.648 1.00 0.98 H new ATOM 0 HA PHE A 92 7.352 12.251 -1.983 1.00 1.01 H new ATOM 0 HB2 PHE A 92 5.584 12.235 -0.237 1.00 1.24 H new ATOM 0 HB3 PHE A 92 6.037 10.603 0.212 1.00 1.24 H new ATOM 0 HD1 PHE A 92 7.244 14.111 0.130 1.00 1.94 H new ATOM 0 HD2 PHE A 92 7.833 10.199 1.708 1.00 1.58 H new ATOM 0 HE1 PHE A 92 8.865 15.007 1.740 1.00 2.47 H new ATOM 0 HE2 PHE A 92 9.460 11.093 3.317 1.00 2.01 H new ATOM 0 HZ PHE A 92 9.978 13.498 3.339 1.00 2.46 H new ATOM 991 N GLU A 93 9.338 10.771 -1.581 1.00 0.98 N ATOM 992 CA GLU A 93 10.476 9.880 -1.503 1.00 0.97 C ATOM 993 C GLU A 93 10.881 9.707 -0.050 1.00 1.21 C ATOM 994 O GLU A 93 11.379 10.645 0.587 1.00 1.50 O ATOM 995 CB GLU A 93 11.641 10.423 -2.325 1.00 1.18 C ATOM 996 CG GLU A 93 11.336 10.535 -3.808 1.00 1.33 C ATOM 997 CD GLU A 93 12.441 11.229 -4.569 1.00 1.57 C ATOM 998 OE1 GLU A 93 13.484 10.595 -4.826 1.00 1.97 O ATOM 999 OE2 GLU A 93 12.271 12.417 -4.917 1.00 1.92 O ATOM 0 H GLU A 93 9.573 11.761 -1.649 1.00 0.98 H new ATOM 0 HA GLU A 93 10.200 8.910 -1.915 1.00 0.97 H new ATOM 0 HB2 GLU A 93 11.917 11.406 -1.944 1.00 1.18 H new ATOM 0 HB3 GLU A 93 12.506 9.774 -2.188 1.00 1.18 H new ATOM 0 HG2 GLU A 93 11.183 9.538 -4.222 1.00 1.33 H new ATOM 0 HG3 GLU A 93 10.404 11.083 -3.945 1.00 1.33 H new ATOM 1006 N TYR A 94 10.657 8.506 0.470 1.00 1.23 N ATOM 1007 CA TYR A 94 10.817 8.246 1.887 1.00 1.60 C ATOM 1008 C TYR A 94 11.910 7.216 2.129 1.00 1.67 C ATOM 1009 O TYR A 94 11.787 6.058 1.724 1.00 1.62 O ATOM 1010 CB TYR A 94 9.486 7.758 2.473 1.00 1.88 C ATOM 1011 CG TYR A 94 9.488 7.590 3.977 1.00 2.23 C ATOM 1012 CD1 TYR A 94 9.665 6.339 4.559 1.00 2.63 C ATOM 1013 CD2 TYR A 94 9.303 8.680 4.816 1.00 2.62 C ATOM 1014 CE1 TYR A 94 9.658 6.181 5.932 1.00 3.18 C ATOM 1015 CE2 TYR A 94 9.296 8.532 6.192 1.00 3.33 C ATOM 1016 CZ TYR A 94 9.473 7.281 6.744 1.00 3.51 C ATOM 1017 OH TYR A 94 9.461 7.130 8.114 1.00 4.29 O ATOM 0 H TYR A 94 10.363 7.696 -0.076 1.00 1.23 H new ATOM 0 HA TYR A 94 11.111 9.171 2.382 1.00 1.60 H new ATOM 0 HB2 TYR A 94 8.702 8.464 2.200 1.00 1.88 H new ATOM 0 HB3 TYR A 94 9.229 6.804 2.014 1.00 1.88 H new ATOM 0 HD1 TYR A 94 9.811 5.476 3.927 1.00 2.63 H new ATOM 0 HD2 TYR A 94 9.162 9.661 4.387 1.00 2.62 H new ATOM 0 HE1 TYR A 94 9.797 5.202 6.367 1.00 3.18 H new ATOM 0 HE2 TYR A 94 9.153 9.392 6.830 1.00 3.33 H new ATOM 0 HH TYR A 94 9.321 8.002 8.538 1.00 4.29 H new ATOM 1170 N LYS A 104 16.104 3.724 -0.085 1.00 1.52 N ATOM 1171 CA LYS A 104 15.407 4.876 -0.606 1.00 1.37 C ATOM 1172 C LYS A 104 14.286 4.441 -1.533 1.00 1.18 C ATOM 1173 O LYS A 104 14.532 4.031 -2.675 1.00 1.26 O ATOM 1174 CB LYS A 104 16.373 5.786 -1.358 1.00 1.53 C ATOM 1175 CG LYS A 104 15.728 7.069 -1.856 1.00 1.64 C ATOM 1176 CD LYS A 104 16.687 7.883 -2.710 1.00 2.24 C ATOM 1177 CE LYS A 104 16.020 9.125 -3.277 1.00 2.60 C ATOM 1178 NZ LYS A 104 15.554 10.046 -2.207 1.00 3.12 N ATOM 0 HA LYS A 104 14.981 5.427 0.232 1.00 1.37 H new ATOM 0 HB2 LYS A 104 17.208 6.038 -0.704 1.00 1.53 H new ATOM 0 HB3 LYS A 104 16.786 5.242 -2.207 1.00 1.53 H new ATOM 0 HG2 LYS A 104 14.838 6.828 -2.437 1.00 1.64 H new ATOM 0 HG3 LYS A 104 15.401 7.667 -1.005 1.00 1.64 H new ATOM 0 HD2 LYS A 104 17.550 8.175 -2.111 1.00 2.24 H new ATOM 0 HD3 LYS A 104 17.060 7.266 -3.527 1.00 2.24 H new ATOM 0 HE2 LYS A 104 16.722 9.649 -3.926 1.00 2.60 H new ATOM 0 HE3 LYS A 104 15.173 8.831 -3.896 1.00 2.60 H new ATOM 0 HZ1 LYS A 104 15.245 10.944 -2.632 1.00 3.12 H new ATOM 0 HZ2 LYS A 104 14.758 9.612 -1.698 1.00 3.12 H new ATOM 0 HZ3 LYS A 104 16.333 10.228 -1.542 1.00 3.12 H new ATOM 1192 N VAL A 105 13.061 4.507 -1.033 1.00 1.04 N ATOM 1193 CA VAL A 105 11.900 4.222 -1.838 1.00 0.90 C ATOM 1194 C VAL A 105 11.096 5.483 -2.027 1.00 0.72 C ATOM 1195 O VAL A 105 11.316 6.481 -1.339 1.00 0.75 O ATOM 1196 CB VAL A 105 11.124 3.275 -1.318 1.00 1.00 C ATOM 1197 CG1 VAL A 105 11.865 1.947 -1.259 1.00 1.23 C ATOM 1198 CG2 VAL A 105 10.602 3.656 0.058 1.00 1.11 C ATOM 0 H VAL A 105 12.853 4.758 -0.066 1.00 1.04 H new ATOM 0 HA VAL A 105 12.262 3.847 -2.796 1.00 0.90 H new ATOM 0 HB VAL A 105 10.261 3.168 -1.975 1.00 1.00 H new ATOM 0 HG11 VAL A 105 11.213 1.185 -0.831 1.00 1.23 H new ATOM 0 HG12 VAL A 105 12.159 1.649 -2.266 1.00 1.23 H new ATOM 0 HG13 VAL A 105 12.755 2.054 -0.638 1.00 1.23 H new ATOM 0 HG21 VAL A 105 9.973 2.853 0.444 1.00 1.11 H new ATOM 0 HG22 VAL A 105 11.442 3.816 0.734 1.00 1.11 H new ATOM 0 HG23 VAL A 105 10.016 4.572 -0.016 1.00 1.11 H new ATOM 1208 N LYS A 106 10.211 5.462 -2.985 1.00 0.64 N ATOM 1209 CA LYS A 106 9.292 6.561 -3.155 1.00 0.59 C ATOM 1210 C LYS A 106 7.882 6.026 -3.168 1.00 0.53 C ATOM 1211 O LYS A 106 7.625 4.956 -3.725 1.00 0.68 O ATOM 1212 CB LYS A 106 9.584 7.373 -4.423 1.00 0.79 C ATOM 1213 CG LYS A 106 9.245 6.674 -5.727 1.00 1.39 C ATOM 1214 CD LYS A 106 9.403 7.628 -6.896 1.00 1.61 C ATOM 1215 CE LYS A 106 8.884 7.027 -8.188 1.00 2.08 C ATOM 1216 NZ LYS A 106 9.005 7.984 -9.321 1.00 2.36 N ATOM 0 H LYS A 106 10.104 4.703 -3.658 1.00 0.64 H new ATOM 0 HA LYS A 106 9.418 7.247 -2.317 1.00 0.59 H new ATOM 0 HB2 LYS A 106 9.026 8.308 -4.374 1.00 0.79 H new ATOM 0 HB3 LYS A 106 10.642 7.634 -4.433 1.00 0.79 H new ATOM 0 HG2 LYS A 106 9.896 5.810 -5.864 1.00 1.39 H new ATOM 0 HG3 LYS A 106 8.222 6.300 -5.691 1.00 1.39 H new ATOM 0 HD2 LYS A 106 8.867 8.553 -6.685 1.00 1.61 H new ATOM 0 HD3 LYS A 106 10.455 7.888 -7.013 1.00 1.61 H new ATOM 0 HE2 LYS A 106 9.440 6.118 -8.417 1.00 2.08 H new ATOM 0 HE3 LYS A 106 7.840 6.739 -8.063 1.00 2.08 H new ATOM 0 HZ1 LYS A 106 8.641 7.542 -10.189 1.00 2.36 H new ATOM 0 HZ2 LYS A 106 8.454 8.841 -9.112 1.00 2.36 H new ATOM 0 HZ3 LYS A 106 10.004 8.239 -9.455 1.00 2.36 H new ATOM 1230 N VAL A 107 6.981 6.745 -2.530 1.00 0.47 N ATOM 1231 CA VAL A 107 5.602 6.315 -2.470 1.00 0.49 C ATOM 1232 C VAL A 107 4.764 7.061 -3.469 1.00 0.45 C ATOM 1233 O VAL A 107 5.033 8.219 -3.787 1.00 0.74 O ATOM 1234 CB VAL A 107 5.041 6.446 -1.270 1.00 0.60 C ATOM 1235 CG1 VAL A 107 5.577 5.389 -0.314 1.00 0.99 C ATOM 1236 CG2 VAL A 107 5.244 7.837 -0.685 1.00 1.11 C ATOM 0 H VAL A 107 7.178 7.623 -2.050 1.00 0.47 H new ATOM 0 HA VAL A 107 5.632 5.251 -2.703 1.00 0.49 H new ATOM 0 HB VAL A 107 3.968 6.303 -1.401 1.00 0.60 H new ATOM 0 HG11 VAL A 107 5.108 5.510 0.662 1.00 0.99 H new ATOM 0 HG12 VAL A 107 5.351 4.397 -0.705 1.00 0.99 H new ATOM 0 HG13 VAL A 107 6.657 5.502 -0.215 1.00 0.99 H new ATOM 0 HG21 VAL A 107 4.768 7.893 0.294 1.00 1.11 H new ATOM 0 HG22 VAL A 107 6.311 8.036 -0.582 1.00 1.11 H new ATOM 0 HG23 VAL A 107 4.799 8.579 -1.348 1.00 1.11 H new ATOM 1246 N HIS A 108 3.819 6.354 -4.035 1.00 0.30 N ATOM 1247 CA HIS A 108 2.742 6.975 -4.749 1.00 0.31 C ATOM 1248 C HIS A 108 1.494 6.161 -4.495 1.00 0.28 C ATOM 1249 O HIS A 108 1.297 5.090 -5.064 1.00 0.31 O ATOM 1250 CB HIS A 108 3.045 7.059 -6.244 1.00 0.43 C ATOM 1251 CG HIS A 108 2.150 8.003 -6.989 1.00 0.56 C ATOM 1252 ND1 HIS A 108 2.082 8.051 -8.363 1.00 0.94 N ATOM 1253 CD2 HIS A 108 1.293 8.948 -6.542 1.00 0.71 C ATOM 1254 CE1 HIS A 108 1.228 8.991 -8.726 1.00 1.01 C ATOM 1255 NE2 HIS A 108 0.731 9.549 -7.637 1.00 0.80 N ATOM 0 H HIS A 108 3.778 5.335 -4.012 1.00 0.30 H new ATOM 0 HA HIS A 108 2.604 7.998 -4.400 1.00 0.31 H new ATOM 0 HB2 HIS A 108 4.080 7.372 -6.379 1.00 0.43 H new ATOM 0 HB3 HIS A 108 2.953 6.065 -6.681 1.00 0.43 H new ATOM 0 HD2 HIS A 108 1.088 9.186 -5.509 1.00 0.71 H new ATOM 0 HE1 HIS A 108 0.978 9.258 -9.742 1.00 1.01 H new ATOM 0 HE2 HIS A 108 0.043 10.302 -7.615 1.00 0.80 H new ATOM 1264 N MET A 109 0.663 6.677 -3.629 1.00 0.31 N ATOM 1265 CA MET A 109 -0.590 6.045 -3.301 1.00 0.33 C ATOM 1266 C MET A 109 -1.699 6.957 -3.747 1.00 0.37 C ATOM 1267 O MET A 109 -1.713 8.133 -3.390 1.00 0.55 O ATOM 1268 CB MET A 109 -0.689 5.740 -1.796 1.00 0.43 C ATOM 1269 CG MET A 109 -0.378 6.918 -0.883 1.00 0.77 C ATOM 1270 SD MET A 109 1.392 7.214 -0.691 1.00 1.28 S ATOM 1271 CE MET A 109 1.890 5.698 0.127 1.00 2.22 C ATOM 0 H MET A 109 0.835 7.549 -3.129 1.00 0.31 H new ATOM 0 HA MET A 109 -0.666 5.087 -3.815 1.00 0.33 H new ATOM 0 HB2 MET A 109 -1.696 5.385 -1.577 1.00 0.43 H new ATOM 0 HB3 MET A 109 -0.005 4.925 -1.559 1.00 0.43 H new ATOM 0 HG2 MET A 109 -0.849 7.815 -1.284 1.00 0.77 H new ATOM 0 HG3 MET A 109 -0.819 6.737 0.097 1.00 0.77 H new ATOM 0 HE1 MET A 109 2.789 5.881 0.716 1.00 2.22 H new ATOM 0 HE2 MET A 109 1.089 5.359 0.784 1.00 2.22 H new ATOM 0 HE3 MET A 109 2.095 4.932 -0.621 1.00 2.22 H new ATOM 1281 N LYS A 110 -2.607 6.449 -4.555 1.00 0.27 N ATOM 1282 CA LYS A 110 -3.580 7.314 -5.170 1.00 0.30 C ATOM 1283 C LYS A 110 -4.904 6.610 -5.306 1.00 0.24 C ATOM 1284 O LYS A 110 -4.958 5.402 -5.510 1.00 0.24 O ATOM 1285 CB LYS A 110 -3.098 7.798 -6.542 1.00 0.43 C ATOM 1286 CG LYS A 110 -3.039 6.709 -7.606 1.00 0.64 C ATOM 1287 CD LYS A 110 -2.705 7.285 -8.971 1.00 0.78 C ATOM 1288 CE LYS A 110 -3.719 8.337 -9.400 1.00 1.38 C ATOM 1289 NZ LYS A 110 -5.093 7.778 -9.529 1.00 1.73 N ATOM 0 H LYS A 110 -2.688 5.461 -4.795 1.00 0.27 H new ATOM 0 HA LYS A 110 -3.708 8.183 -4.525 1.00 0.30 H new ATOM 0 HB2 LYS A 110 -3.760 8.592 -6.888 1.00 0.43 H new ATOM 0 HB3 LYS A 110 -2.106 8.236 -6.432 1.00 0.43 H new ATOM 0 HG2 LYS A 110 -2.289 5.968 -7.329 1.00 0.64 H new ATOM 0 HG3 LYS A 110 -3.997 6.191 -7.652 1.00 0.64 H new ATOM 0 HD2 LYS A 110 -1.709 7.728 -8.946 1.00 0.78 H new ATOM 0 HD3 LYS A 110 -2.678 6.483 -9.708 1.00 0.78 H new ATOM 0 HE2 LYS A 110 -3.726 9.149 -8.673 1.00 1.38 H new ATOM 0 HE3 LYS A 110 -3.413 8.766 -10.354 1.00 1.38 H new ATOM 0 HZ1 LYS A 110 -5.704 8.467 -10.013 1.00 1.73 H new ATOM 0 HZ2 LYS A 110 -5.059 6.897 -10.081 1.00 1.73 H new ATOM 0 HZ3 LYS A 110 -5.477 7.579 -8.583 1.00 1.73 H new ATOM 1303 N LYS A 111 -5.961 7.380 -5.193 1.00 0.23 N ATOM 1304 CA LYS A 111 -7.289 6.883 -5.372 1.00 0.22 C ATOM 1305 C LYS A 111 -7.457 6.235 -6.742 1.00 0.22 C ATOM 1306 O LYS A 111 -7.189 6.846 -7.782 1.00 0.29 O ATOM 1307 CB LYS A 111 -8.220 8.060 -5.217 1.00 0.28 C ATOM 1308 CG LYS A 111 -9.690 7.742 -5.423 1.00 0.35 C ATOM 1309 CD LYS A 111 -10.444 8.978 -5.867 1.00 0.53 C ATOM 1310 CE LYS A 111 -10.209 9.258 -7.344 1.00 0.91 C ATOM 1311 NZ LYS A 111 -10.715 8.162 -8.217 1.00 1.78 N ATOM 0 H LYS A 111 -5.914 8.375 -4.973 1.00 0.23 H new ATOM 0 HA LYS A 111 -7.511 6.111 -4.635 1.00 0.22 H new ATOM 0 HB2 LYS A 111 -8.090 8.479 -4.219 1.00 0.28 H new ATOM 0 HB3 LYS A 111 -7.927 8.833 -5.928 1.00 0.28 H new ATOM 0 HG2 LYS A 111 -9.797 6.956 -6.171 1.00 0.35 H new ATOM 0 HG3 LYS A 111 -10.119 7.361 -4.496 1.00 0.35 H new ATOM 0 HD2 LYS A 111 -11.510 8.844 -5.684 1.00 0.53 H new ATOM 0 HD3 LYS A 111 -10.124 9.836 -5.275 1.00 0.53 H new ATOM 0 HE2 LYS A 111 -10.700 10.192 -7.617 1.00 0.91 H new ATOM 0 HE3 LYS A 111 -9.142 9.396 -7.520 1.00 0.91 H new ATOM 0 HZ1 LYS A 111 -10.752 8.492 -9.203 1.00 1.78 H new ATOM 0 HZ2 LYS A 111 -10.078 7.343 -8.150 1.00 1.78 H new ATOM 0 HZ3 LYS A 111 -11.669 7.885 -7.909 1.00 1.78 H new ATOM 1325 N ALA A 112 -7.878 4.981 -6.712 1.00 0.22 N ATOM 1326 CA ALA A 112 -8.093 4.188 -7.904 1.00 0.26 C ATOM 1327 C ALA A 112 -9.220 4.773 -8.744 1.00 0.38 C ATOM 1328 O ALA A 112 -10.153 5.381 -8.212 1.00 0.45 O ATOM 1329 CB ALA A 112 -8.405 2.751 -7.524 1.00 0.33 C ATOM 0 H ALA A 112 -8.082 4.482 -5.846 1.00 0.22 H new ATOM 0 HA ALA A 112 -7.181 4.204 -8.501 1.00 0.26 H new ATOM 0 HB1 ALA A 112 -8.565 2.162 -8.427 1.00 0.33 H new ATOM 0 HB2 ALA A 112 -7.569 2.334 -6.962 1.00 0.33 H new ATOM 0 HB3 ALA A 112 -9.305 2.724 -6.909 1.00 0.33 H new ATOM 1335 N LEU A 113 -9.124 4.612 -10.054 1.00 0.47 N ATOM 1336 CA LEU A 113 -10.148 5.124 -10.957 1.00 0.64 C ATOM 1337 C LEU A 113 -11.399 4.244 -10.918 1.00 0.76 C ATOM 1338 O LEU A 113 -12.416 4.553 -11.547 1.00 0.96 O ATOM 1339 CB LEU A 113 -9.596 5.254 -12.389 1.00 0.76 C ATOM 1340 CG LEU A 113 -8.920 4.006 -12.975 1.00 1.55 C ATOM 1341 CD1 LEU A 113 -9.941 2.983 -13.447 1.00 2.27 C ATOM 1342 CD2 LEU A 113 -7.993 4.397 -14.113 1.00 2.39 C ATOM 0 H LEU A 113 -8.351 4.133 -10.517 1.00 0.47 H new ATOM 0 HA LEU A 113 -10.435 6.120 -10.620 1.00 0.64 H new ATOM 0 HB2 LEU A 113 -10.417 5.539 -13.047 1.00 0.76 H new ATOM 0 HB3 LEU A 113 -8.876 6.072 -12.405 1.00 0.76 H new ATOM 0 HG LEU A 113 -8.334 3.541 -12.182 1.00 1.55 H new ATOM 0 HD11 LEU A 113 -9.424 2.115 -13.855 1.00 2.27 H new ATOM 0 HD12 LEU A 113 -10.562 2.674 -12.606 1.00 2.27 H new ATOM 0 HD13 LEU A 113 -10.570 3.426 -14.219 1.00 2.27 H new ATOM 0 HD21 LEU A 113 -7.520 3.503 -14.520 1.00 2.39 H new ATOM 0 HD22 LEU A 113 -8.567 4.892 -14.896 1.00 2.39 H new ATOM 0 HD23 LEU A 113 -7.226 5.076 -13.741 1.00 2.39 H new ATOM 1354 N SER A 114 -11.321 3.151 -10.165 1.00 0.73 N ATOM 1355 CA SER A 114 -12.449 2.250 -9.997 1.00 0.92 C ATOM 1356 C SER A 114 -13.436 2.797 -8.966 1.00 0.93 C ATOM 1357 O SER A 114 -14.610 2.428 -8.961 1.00 1.27 O ATOM 1358 CB SER A 114 -11.943 0.867 -9.586 1.00 1.04 C ATOM 1359 OG SER A 114 -10.895 0.977 -8.636 1.00 1.66 O ATOM 0 H SER A 114 -10.481 2.869 -9.660 1.00 0.73 H new ATOM 0 HA SER A 114 -12.978 2.166 -10.946 1.00 0.92 H new ATOM 0 HB2 SER A 114 -12.763 0.285 -9.165 1.00 1.04 H new ATOM 0 HB3 SER A 114 -11.589 0.328 -10.465 1.00 1.04 H new ATOM 0 HG SER A 114 -10.586 0.082 -8.384 1.00 1.66 H new ATOM 1365 N GLY A 115 -12.956 3.680 -8.095 1.00 0.71 N ATOM 1366 CA GLY A 115 -13.829 4.297 -7.117 1.00 0.79 C ATOM 1367 C GLY A 115 -13.185 4.419 -5.752 1.00 0.78 C ATOM 1368 O GLY A 115 -12.071 4.932 -5.630 1.00 1.52 O ATOM 0 H GLY A 115 -11.981 3.977 -8.050 1.00 0.71 H new ATOM 0 HA2 GLY A 115 -14.118 5.288 -7.468 1.00 0.79 H new ATOM 0 HA3 GLY A 115 -14.744 3.710 -7.031 1.00 0.79 H new ATOM 1372 N ASP A 116 -13.883 3.936 -4.727 1.00 0.72 N ATOM 1373 CA ASP A 116 -13.406 4.035 -3.350 1.00 0.85 C ATOM 1374 C ASP A 116 -12.346 2.971 -3.066 1.00 0.80 C ATOM 1375 O ASP A 116 -12.614 1.923 -2.468 1.00 1.40 O ATOM 1376 CB ASP A 116 -14.577 3.929 -2.367 1.00 1.25 C ATOM 1377 CG ASP A 116 -14.148 4.049 -0.916 1.00 2.10 C ATOM 1378 OD1 ASP A 116 -14.442 3.122 -0.132 1.00 2.63 O ATOM 1379 OD2 ASP A 116 -13.531 5.066 -0.547 1.00 2.79 O ATOM 0 H ASP A 116 -14.785 3.470 -4.825 1.00 0.72 H new ATOM 0 HA ASP A 116 -12.941 5.011 -3.215 1.00 0.85 H new ATOM 0 HB2 ASP A 116 -15.304 4.710 -2.591 1.00 1.25 H new ATOM 0 HB3 ASP A 116 -15.081 2.974 -2.513 1.00 1.25 H new ATOM 1384 N SER A 117 -11.155 3.248 -3.558 1.00 0.42 N ATOM 1385 CA SER A 117 -9.997 2.396 -3.404 1.00 0.29 C ATOM 1386 C SER A 117 -8.760 3.217 -3.716 1.00 0.22 C ATOM 1387 O SER A 117 -8.853 4.246 -4.381 1.00 0.25 O ATOM 1388 CB SER A 117 -10.103 1.187 -4.323 1.00 0.34 C ATOM 1389 OG SER A 117 -10.602 1.548 -5.601 1.00 0.44 O ATOM 0 H SER A 117 -10.963 4.096 -4.091 1.00 0.42 H new ATOM 0 HA SER A 117 -9.935 2.021 -2.382 1.00 0.29 H new ATOM 0 HB2 SER A 117 -9.122 0.724 -4.432 1.00 0.34 H new ATOM 0 HB3 SER A 117 -10.759 0.442 -3.872 1.00 0.34 H new ATOM 0 HG SER A 117 -10.657 0.751 -6.168 1.00 0.44 H new ATOM 1395 N TYR A 118 -7.620 2.801 -3.208 1.00 0.19 N ATOM 1396 CA TYR A 118 -6.385 3.551 -3.405 1.00 0.19 C ATOM 1397 C TYR A 118 -5.222 2.605 -3.693 1.00 0.20 C ATOM 1398 O TYR A 118 -5.129 1.525 -3.113 1.00 0.25 O ATOM 1399 CB TYR A 118 -6.075 4.405 -2.166 1.00 0.22 C ATOM 1400 CG TYR A 118 -7.251 5.177 -1.634 1.00 0.23 C ATOM 1401 CD1 TYR A 118 -7.978 4.703 -0.561 1.00 0.30 C ATOM 1402 CD2 TYR A 118 -7.624 6.376 -2.205 1.00 0.25 C ATOM 1403 CE1 TYR A 118 -9.057 5.409 -0.063 1.00 0.35 C ATOM 1404 CE2 TYR A 118 -8.701 7.092 -1.719 1.00 0.30 C ATOM 1405 CZ TYR A 118 -9.416 6.603 -0.647 1.00 0.34 C ATOM 1406 OH TYR A 118 -10.485 7.314 -0.150 1.00 0.42 O ATOM 0 H TYR A 118 -7.516 1.950 -2.656 1.00 0.19 H new ATOM 0 HA TYR A 118 -6.518 4.210 -4.263 1.00 0.19 H new ATOM 0 HB2 TYR A 118 -5.696 3.755 -1.377 1.00 0.22 H new ATOM 0 HB3 TYR A 118 -5.277 5.106 -2.413 1.00 0.22 H new ATOM 0 HD1 TYR A 118 -7.699 3.765 -0.103 1.00 0.30 H new ATOM 0 HD2 TYR A 118 -7.065 6.761 -3.045 1.00 0.25 H new ATOM 0 HE1 TYR A 118 -9.615 5.026 0.779 1.00 0.35 H new ATOM 0 HE2 TYR A 118 -8.981 8.029 -2.176 1.00 0.30 H new ATOM 0 HH TYR A 118 -10.605 8.133 -0.674 1.00 0.42 H new ATOM 1416 N TRP A 119 -4.341 3.004 -4.598 1.00 0.20 N ATOM 1417 CA TRP A 119 -3.196 2.197 -4.939 1.00 0.22 C ATOM 1418 C TRP A 119 -2.039 2.503 -4.020 1.00 0.25 C ATOM 1419 O TRP A 119 -2.037 3.507 -3.315 1.00 0.27 O ATOM 1420 CB TRP A 119 -2.752 2.477 -6.364 1.00 0.25 C ATOM 1421 CG TRP A 119 -3.701 2.025 -7.414 1.00 0.26 C ATOM 1422 CD1 TRP A 119 -4.924 2.545 -7.709 1.00 0.27 C ATOM 1423 CD2 TRP A 119 -3.478 0.962 -8.329 1.00 0.30 C ATOM 1424 NE1 TRP A 119 -5.483 1.847 -8.755 1.00 0.32 N ATOM 1425 CE2 TRP A 119 -4.610 0.870 -9.151 1.00 0.33 C ATOM 1426 CE3 TRP A 119 -2.424 0.073 -8.524 1.00 0.34 C ATOM 1427 CZ2 TRP A 119 -4.714 -0.083 -10.159 1.00 0.40 C ATOM 1428 CZ3 TRP A 119 -2.522 -0.867 -9.515 1.00 0.40 C ATOM 1429 CH2 TRP A 119 -3.661 -0.944 -10.329 1.00 0.42 C ATOM 0 H TRP A 119 -4.404 3.886 -5.107 1.00 0.20 H new ATOM 0 HA TRP A 119 -3.488 1.152 -4.837 1.00 0.22 H new ATOM 0 HB2 TRP A 119 -2.593 3.550 -6.476 1.00 0.25 H new ATOM 0 HB3 TRP A 119 -1.790 1.993 -6.531 1.00 0.25 H new ATOM 0 HD1 TRP A 119 -5.385 3.378 -7.200 1.00 0.27 H new ATOM 0 HE1 TRP A 119 -6.398 2.028 -9.168 1.00 0.32 H new ATOM 0 HE3 TRP A 119 -1.542 0.124 -7.903 1.00 0.34 H new ATOM 0 HZ2 TRP A 119 -5.592 -0.142 -10.785 1.00 0.40 H new ATOM 0 HZ3 TRP A 119 -1.709 -1.560 -9.672 1.00 0.40 H new ATOM 0 HH2 TRP A 119 -3.710 -1.695 -11.104 1.00 0.42 H new ATOM 1440 N VAL A 120 -1.062 1.625 -4.058 1.00 0.28 N ATOM 1441 CA VAL A 120 0.193 1.800 -3.350 1.00 0.32 C ATOM 1442 C VAL A 120 1.340 1.426 -4.284 1.00 0.34 C ATOM 1443 O VAL A 120 1.636 0.248 -4.473 1.00 0.43 O ATOM 1444 CB VAL A 120 0.256 1.029 -2.265 1.00 0.38 C ATOM 1445 CG1 VAL A 120 1.581 1.236 -1.528 1.00 0.56 C ATOM 1446 CG2 VAL A 120 -0.911 1.271 -1.319 1.00 0.62 C ATOM 0 H VAL A 120 -1.115 0.755 -4.589 1.00 0.28 H new ATOM 0 HA VAL A 120 0.265 2.841 -3.035 1.00 0.32 H new ATOM 0 HB VAL A 120 0.195 -0.004 -2.607 1.00 0.38 H new ATOM 0 HG11 VAL A 120 1.610 0.597 -0.646 1.00 0.56 H new ATOM 0 HG12 VAL A 120 2.409 0.980 -2.189 1.00 0.56 H new ATOM 0 HG13 VAL A 120 1.669 2.279 -1.223 1.00 0.56 H new ATOM 0 HG21 VAL A 120 -0.816 0.620 -0.450 1.00 0.62 H new ATOM 0 HG22 VAL A 120 -0.907 2.312 -0.995 1.00 0.62 H new ATOM 0 HG23 VAL A 120 -1.847 1.055 -1.834 1.00 0.62 H new ATOM 1456 N PHE A 121 1.960 2.424 -4.895 1.00 0.34 N ATOM 1457 CA PHE A 121 3.136 2.187 -5.718 1.00 0.42 C ATOM 1458 C PHE A 121 4.380 2.617 -4.956 1.00 0.40 C ATOM 1459 O PHE A 121 4.503 3.780 -4.575 1.00 0.49 O ATOM 1460 CB PHE A 121 3.096 2.989 -7.016 1.00 0.61 C ATOM 1461 CG PHE A 121 1.893 2.762 -7.885 1.00 0.49 C ATOM 1462 CD1 PHE A 121 0.844 3.667 -7.890 1.00 0.52 C ATOM 1463 CD2 PHE A 121 1.825 1.657 -8.714 1.00 0.98 C ATOM 1464 CE1 PHE A 121 -0.251 3.472 -8.706 1.00 0.96 C ATOM 1465 CE2 PHE A 121 0.732 1.453 -9.530 1.00 1.49 C ATOM 1466 CZ PHE A 121 -0.307 2.363 -9.527 1.00 1.45 C ATOM 0 H PHE A 121 1.671 3.400 -4.837 1.00 0.34 H new ATOM 0 HA PHE A 121 3.154 1.123 -5.955 1.00 0.42 H new ATOM 0 HB2 PHE A 121 3.147 4.049 -6.768 1.00 0.61 H new ATOM 0 HB3 PHE A 121 3.989 2.753 -7.595 1.00 0.61 H new ATOM 0 HD1 PHE A 121 0.884 4.535 -7.248 1.00 0.52 H new ATOM 0 HD2 PHE A 121 2.637 0.945 -8.722 1.00 0.98 H new ATOM 0 HE1 PHE A 121 -1.062 4.185 -8.703 1.00 0.96 H new ATOM 0 HE2 PHE A 121 0.689 0.584 -10.170 1.00 1.49 H new ATOM 0 HZ PHE A 121 -1.163 2.207 -10.167 1.00 1.45 H new ATOM 1476 N VAL A 122 5.284 1.691 -4.723 1.00 0.49 N ATOM 1477 CA VAL A 122 6.587 2.025 -4.177 1.00 0.61 C ATOM 1478 C VAL A 122 7.674 1.504 -5.094 1.00 0.73 C ATOM 1479 O VAL A 122 7.434 0.602 -5.895 1.00 0.95 O ATOM 1480 CB VAL A 122 6.780 1.552 -2.948 1.00 0.77 C ATOM 1481 CG1 VAL A 122 5.850 2.234 -1.954 1.00 1.61 C ATOM 1482 CG2 VAL A 122 6.605 0.042 -2.886 1.00 1.52 C ATOM 0 H VAL A 122 5.143 0.697 -4.903 1.00 0.49 H new ATOM 0 HA VAL A 122 6.628 3.112 -4.109 1.00 0.61 H new ATOM 0 HB VAL A 122 7.811 1.776 -2.676 1.00 0.77 H new ATOM 0 HG11 VAL A 122 6.026 1.832 -0.956 1.00 1.61 H new ATOM 0 HG12 VAL A 122 6.043 3.307 -1.952 1.00 1.61 H new ATOM 0 HG13 VAL A 122 4.814 2.053 -2.241 1.00 1.61 H new ATOM 0 HG21 VAL A 122 6.771 -0.302 -1.865 1.00 1.52 H new ATOM 0 HG22 VAL A 122 5.594 -0.220 -3.197 1.00 1.52 H new ATOM 0 HG23 VAL A 122 7.324 -0.435 -3.551 1.00 1.52 H new ATOM 1492 N LYS A 123 8.839 2.123 -5.041 1.00 0.76 N ATOM 1493 CA LYS A 123 9.976 1.632 -5.795 1.00 0.97 C ATOM 1494 C LYS A 123 11.268 2.111 -5.165 1.00 1.04 C ATOM 1495 O LYS A 123 11.402 3.289 -4.834 1.00 1.02 O ATOM 1496 CB LYS A 123 9.913 2.072 -7.264 1.00 1.11 C ATOM 1497 CG LYS A 123 10.836 1.263 -8.165 1.00 1.66 C ATOM 1498 CD LYS A 123 10.814 1.743 -9.609 1.00 2.03 C ATOM 1499 CE LYS A 123 11.543 3.067 -9.780 1.00 2.74 C ATOM 1500 NZ LYS A 123 11.685 3.440 -11.214 1.00 3.45 N ATOM 0 H LYS A 123 9.022 2.960 -4.488 1.00 0.76 H new ATOM 0 HA LYS A 123 9.944 0.543 -5.770 1.00 0.97 H new ATOM 0 HB2 LYS A 123 8.888 1.977 -7.623 1.00 1.11 H new ATOM 0 HB3 LYS A 123 10.178 3.127 -7.334 1.00 1.11 H new ATOM 0 HG2 LYS A 123 11.855 1.322 -7.782 1.00 1.66 H new ATOM 0 HG3 LYS A 123 10.543 0.214 -8.130 1.00 1.66 H new ATOM 0 HD2 LYS A 123 11.275 0.990 -10.248 1.00 2.03 H new ATOM 0 HD3 LYS A 123 9.781 1.853 -9.939 1.00 2.03 H new ATOM 0 HE2 LYS A 123 11.000 3.851 -9.253 1.00 2.74 H new ATOM 0 HE3 LYS A 123 12.530 3.000 -9.323 1.00 2.74 H new ATOM 0 HZ1 LYS A 123 12.187 4.348 -11.289 1.00 3.45 H new ATOM 0 HZ2 LYS A 123 12.225 2.704 -11.712 1.00 3.45 H new ATOM 0 HZ3 LYS A 123 10.742 3.529 -11.644 1.00 3.45 H new