USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 563 hydrogens (18 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 106 LYS NZ :NH3+ 140:sc= -1.34 (180deg=-0.0315) USER MOD Set 1.2: A 122 GLN : amide:sc= -3.53! C(o=-4.9!,f=-6.9!) USER MOD Single : A 1 KDH O02 : rot 180:sc= 0 USER MOD Single : A 1 KDH O03 : rot -76:sc= 1.66 USER MOD Single : A 1 KDH O1 : rot 2:sc= 0.0378 USER MOD Single : A 1 KDH O10 : rot -164:sc= -1.54! USER MOD Single : A 1 KDH O44 : rot 160:sc= -0.0148 USER MOD Single : A 1 KDH O47 : rot -76:sc= 0.17 USER MOD Single : A 1 KDH O50 : rot 29:sc= -1.07 USER MOD Single : A 1 KDH O7 : rot -159:sc= 0.0583 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 71:sc= -0.372! USER MOD Single : A 98 SER OG : rot 180:sc= -0.0154 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.983 K(o=-0.98,f=-3.4!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -116:sc= -0.143 (180deg=-0.939) USER MOD Single : A 120 MET CE :methyl 161:sc= -1.59 (180deg=-3.29!) USER MOD Single : A 124 THR OG1 : rot 170:sc= -1.92! USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 142:sc= 0.726 USER MOD Single : A 137 MET CE :methyl 143:sc= -8.31! (180deg=-10.6!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -3.73! C(o=-3.7!,f=-6.8!) USER MOD Single : A 144 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 150 TYR OH : rot 152:sc= 0.164 USER MOD Single : A 157 MET CE :methyl -142:sc= -0.0749 (180deg=-0.957) USER MOD Single : A 158 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.000203) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 90 13.501 7.969 2.151 1.00 2.87 N ATOM 2 CA MET A 90 12.888 6.764 1.521 1.00 2.20 C ATOM 3 C MET A 90 11.376 6.750 1.765 1.00 1.76 C ATOM 4 O MET A 90 10.917 6.490 2.859 1.00 2.23 O ATOM 5 CB MET A 90 13.552 5.574 2.214 1.00 2.68 C ATOM 6 CG MET A 90 13.906 4.509 1.174 1.00 3.11 C ATOM 7 SD MET A 90 15.631 4.711 0.667 1.00 4.08 S ATOM 8 CE MET A 90 16.175 3.027 1.043 1.00 4.71 C ATOM 0 HA MET A 90 13.036 6.743 0.441 1.00 2.20 H new ATOM 0 HB2 MET A 90 14.451 5.900 2.737 1.00 2.68 H new ATOM 0 HB3 MET A 90 12.881 5.156 2.964 1.00 2.68 H new ATOM 0 HG2 MET A 90 13.752 3.513 1.590 1.00 3.11 H new ATOM 0 HG3 MET A 90 13.249 4.598 0.309 1.00 3.11 H new ATOM 0 HE1 MET A 90 17.233 2.924 0.802 1.00 4.71 H new ATOM 0 HE2 MET A 90 16.023 2.824 2.103 1.00 4.71 H new ATOM 0 HE3 MET A 90 15.597 2.317 0.451 1.00 4.71 H new ATOM 20 N GLY A 91 10.600 7.028 0.753 1.00 1.61 N ATOM 21 CA GLY A 91 9.119 7.029 0.926 1.00 1.31 C ATOM 22 C GLY A 91 8.597 5.593 0.858 1.00 1.37 C ATOM 23 O GLY A 91 9.217 4.726 0.273 1.00 1.61 O ATOM 0 H GLY A 91 10.927 7.254 -0.186 1.00 1.61 H new ATOM 0 HA2 GLY A 91 8.854 7.479 1.883 1.00 1.31 H new ATOM 0 HA3 GLY A 91 8.652 7.634 0.149 1.00 1.31 H new ATOM 27 N LYS A 92 7.464 5.330 1.452 1.00 1.27 N ATOM 28 CA LYS A 92 6.912 3.945 1.417 1.00 1.47 C ATOM 29 C LYS A 92 5.382 3.979 1.443 1.00 1.40 C ATOM 30 O LYS A 92 4.736 4.021 0.415 1.00 1.56 O ATOM 31 CB LYS A 92 7.454 3.273 2.678 1.00 1.61 C ATOM 32 CG LYS A 92 8.804 2.624 2.368 1.00 1.94 C ATOM 33 CD LYS A 92 8.599 1.454 1.404 1.00 2.31 C ATOM 34 CE LYS A 92 9.583 0.333 1.744 1.00 2.59 C ATOM 35 NZ LYS A 92 8.930 -0.434 2.841 1.00 3.20 N ATOM 0 H LYS A 92 6.899 6.012 1.958 1.00 1.27 H new ATOM 0 HA LYS A 92 7.199 3.410 0.512 1.00 1.47 H new ATOM 0 HB2 LYS A 92 7.566 4.008 3.475 1.00 1.61 H new ATOM 0 HB3 LYS A 92 6.750 2.521 3.034 1.00 1.61 H new ATOM 0 HG2 LYS A 92 9.479 3.358 1.928 1.00 1.94 H new ATOM 0 HG3 LYS A 92 9.271 2.273 3.288 1.00 1.94 H new ATOM 0 HD2 LYS A 92 7.575 1.087 1.474 1.00 2.31 H new ATOM 0 HD3 LYS A 92 8.750 1.785 0.376 1.00 2.31 H new ATOM 0 HE2 LYS A 92 9.773 -0.301 0.878 1.00 2.59 H new ATOM 0 HE3 LYS A 92 10.545 0.735 2.062 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 9.546 -1.221 3.129 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 8.767 0.193 3.654 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 8.020 -0.811 2.507 1.00 3.20 H new ATOM 49 N SER A 93 4.797 3.959 2.609 1.00 1.38 N ATOM 50 CA SER A 93 3.309 3.987 2.695 1.00 1.40 C ATOM 51 C SER A 93 2.840 5.286 3.356 1.00 1.20 C ATOM 52 O SER A 93 3.613 6.197 3.574 1.00 1.08 O ATOM 53 CB SER A 93 2.941 2.783 3.560 1.00 1.60 C ATOM 54 OG SER A 93 1.584 2.896 3.968 1.00 2.20 O ATOM 0 H SER A 93 5.284 3.925 3.505 1.00 1.38 H new ATOM 0 HA SER A 93 2.838 3.944 1.713 1.00 1.40 H new ATOM 0 HB2 SER A 93 3.089 1.860 3.000 1.00 1.60 H new ATOM 0 HB3 SER A 93 3.592 2.735 4.433 1.00 1.60 H new ATOM 0 HG SER A 93 0.997 2.747 3.197 1.00 2.20 H new ATOM 60 N GLU A 94 1.579 5.376 3.674 1.00 1.26 N ATOM 61 CA GLU A 94 1.059 6.615 4.320 1.00 1.17 C ATOM 62 C GLU A 94 1.799 6.881 5.632 1.00 1.12 C ATOM 63 O GLU A 94 1.782 7.978 6.155 1.00 1.09 O ATOM 64 CB GLU A 94 -0.419 6.328 4.584 1.00 1.33 C ATOM 65 CG GLU A 94 -1.166 6.248 3.252 1.00 1.28 C ATOM 66 CD GLU A 94 -2.615 5.828 3.504 1.00 1.44 C ATOM 67 OE1 GLU A 94 -2.836 5.048 4.416 1.00 1.94 O ATOM 68 OE2 GLU A 94 -3.480 6.294 2.781 1.00 2.09 O ATOM 0 H GLU A 94 0.885 4.646 3.515 1.00 1.26 H new ATOM 0 HA GLU A 94 1.199 7.498 3.696 1.00 1.17 H new ATOM 0 HB2 GLU A 94 -0.527 5.391 5.131 1.00 1.33 H new ATOM 0 HB3 GLU A 94 -0.848 7.113 5.208 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -1.139 7.215 2.749 1.00 1.28 H new ATOM 0 HG3 GLU A 94 -0.678 5.531 2.592 1.00 1.28 H new ATOM 75 N GLU A 95 2.452 5.887 6.169 1.00 1.19 N ATOM 76 CA GLU A 95 3.193 6.087 7.447 1.00 1.23 C ATOM 77 C GLU A 95 4.494 6.851 7.189 1.00 1.03 C ATOM 78 O GLU A 95 4.892 7.698 7.964 1.00 1.01 O ATOM 79 CB GLU A 95 3.489 4.677 7.958 1.00 1.45 C ATOM 80 CG GLU A 95 2.172 3.950 8.238 1.00 1.90 C ATOM 81 CD GLU A 95 2.447 2.461 8.460 1.00 2.12 C ATOM 82 OE1 GLU A 95 3.608 2.099 8.547 1.00 2.66 O ATOM 83 OE2 GLU A 95 1.490 1.709 8.539 1.00 2.49 O ATOM 0 H GLU A 95 2.505 4.946 5.779 1.00 1.19 H new ATOM 0 HA GLU A 95 2.622 6.670 8.170 1.00 1.23 H new ATOM 0 HB2 GLU A 95 4.071 4.126 7.220 1.00 1.45 H new ATOM 0 HB3 GLU A 95 4.090 4.726 8.866 1.00 1.45 H new ATOM 0 HG2 GLU A 95 1.689 4.376 9.117 1.00 1.90 H new ATOM 0 HG3 GLU A 95 1.486 4.083 7.401 1.00 1.90 H new ATOM 90 N GLU A 96 5.161 6.560 6.105 1.00 1.02 N ATOM 91 CA GLU A 96 6.435 7.271 5.801 1.00 0.94 C ATOM 92 C GLU A 96 6.159 8.511 4.947 1.00 0.79 C ATOM 93 O GLU A 96 6.672 9.582 5.207 1.00 0.82 O ATOM 94 CB GLU A 96 7.280 6.262 5.024 1.00 1.15 C ATOM 95 CG GLU A 96 8.731 6.334 5.503 1.00 1.62 C ATOM 96 CD GLU A 96 9.446 5.024 5.169 1.00 1.99 C ATOM 97 OE1 GLU A 96 9.588 4.733 3.993 1.00 2.78 O ATOM 98 OE2 GLU A 96 9.839 4.334 6.095 1.00 2.18 O ATOM 0 H GLU A 96 4.879 5.861 5.418 1.00 1.02 H new ATOM 0 HA GLU A 96 6.940 7.614 6.704 1.00 0.94 H new ATOM 0 HB2 GLU A 96 6.888 5.255 5.169 1.00 1.15 H new ATOM 0 HB3 GLU A 96 7.228 6.474 3.956 1.00 1.15 H new ATOM 0 HG2 GLU A 96 9.241 7.171 5.026 1.00 1.62 H new ATOM 0 HG3 GLU A 96 8.762 6.513 6.578 1.00 1.62 H new ATOM 105 N LEU A 97 5.351 8.377 3.931 1.00 0.77 N ATOM 106 CA LEU A 97 5.046 9.552 3.065 1.00 0.71 C ATOM 107 C LEU A 97 4.503 10.704 3.915 1.00 0.67 C ATOM 108 O LEU A 97 4.521 11.849 3.510 1.00 0.75 O ATOM 109 CB LEU A 97 3.979 9.059 2.084 1.00 0.80 C ATOM 110 CG LEU A 97 4.530 7.890 1.262 1.00 0.77 C ATOM 111 CD1 LEU A 97 3.620 7.638 0.058 1.00 1.40 C ATOM 112 CD2 LEU A 97 5.940 8.227 0.769 1.00 1.22 C ATOM 0 H LEU A 97 4.890 7.507 3.663 1.00 0.77 H new ATOM 0 HA LEU A 97 5.930 9.925 2.548 1.00 0.71 H new ATOM 0 HB2 LEU A 97 3.089 8.745 2.629 1.00 0.80 H new ATOM 0 HB3 LEU A 97 3.678 9.871 1.422 1.00 0.80 H new ATOM 0 HG LEU A 97 4.567 6.997 1.886 1.00 0.77 H new ATOM 0 HD11 LEU A 97 4.012 6.806 -0.527 1.00 1.40 H new ATOM 0 HD12 LEU A 97 2.616 7.396 0.405 1.00 1.40 H new ATOM 0 HD13 LEU A 97 3.583 8.533 -0.564 1.00 1.40 H new ATOM 0 HD21 LEU A 97 6.330 7.394 0.184 1.00 1.22 H new ATOM 0 HD22 LEU A 97 5.904 9.121 0.147 1.00 1.22 H new ATOM 0 HD23 LEU A 97 6.591 8.406 1.624 1.00 1.22 H new ATOM 124 N SER A 98 4.021 10.408 5.091 1.00 0.69 N ATOM 125 CA SER A 98 3.478 11.485 5.968 1.00 0.76 C ATOM 126 C SER A 98 4.553 12.543 6.227 1.00 0.72 C ATOM 127 O SER A 98 4.395 13.700 5.890 1.00 0.77 O ATOM 128 CB SER A 98 3.094 10.782 7.268 1.00 0.92 C ATOM 129 OG SER A 98 3.295 11.670 8.360 1.00 1.57 O ATOM 0 H SER A 98 3.980 9.467 5.483 1.00 0.69 H new ATOM 0 HA SER A 98 2.628 11.997 5.517 1.00 0.76 H new ATOM 0 HB2 SER A 98 2.052 10.465 7.229 1.00 0.92 H new ATOM 0 HB3 SER A 98 3.696 9.883 7.400 1.00 0.92 H new ATOM 0 HG SER A 98 3.048 11.222 9.196 1.00 1.57 H new ATOM 135 N ASP A 99 5.647 12.154 6.822 1.00 0.80 N ATOM 136 CA ASP A 99 6.733 13.136 7.101 1.00 0.86 C ATOM 137 C ASP A 99 7.232 13.753 5.792 1.00 0.81 C ATOM 138 O ASP A 99 7.396 14.952 5.682 1.00 0.91 O ATOM 139 CB ASP A 99 7.840 12.320 7.769 1.00 1.02 C ATOM 140 CG ASP A 99 7.273 11.597 8.992 1.00 1.23 C ATOM 141 OD1 ASP A 99 6.969 12.269 9.965 1.00 1.79 O ATOM 142 OD2 ASP A 99 7.151 10.385 8.935 1.00 1.83 O ATOM 0 H ASP A 99 5.836 11.199 7.127 1.00 0.80 H new ATOM 0 HA ASP A 99 6.398 13.959 7.732 1.00 0.86 H new ATOM 0 HB2 ASP A 99 8.250 11.597 7.064 1.00 1.02 H new ATOM 0 HB3 ASP A 99 8.659 12.974 8.067 1.00 1.02 H new ATOM 147 N LEU A 100 7.469 12.944 4.795 1.00 0.75 N ATOM 148 CA LEU A 100 7.950 13.489 3.493 1.00 0.76 C ATOM 149 C LEU A 100 7.143 14.735 3.122 1.00 0.68 C ATOM 150 O LEU A 100 7.691 15.784 2.845 1.00 0.79 O ATOM 151 CB LEU A 100 7.709 12.368 2.481 1.00 0.86 C ATOM 152 CG LEU A 100 9.029 11.657 2.182 1.00 0.79 C ATOM 153 CD1 LEU A 100 9.226 10.506 3.171 1.00 1.41 C ATOM 154 CD2 LEU A 100 8.997 11.102 0.756 1.00 1.41 C ATOM 0 H LEU A 100 7.351 11.931 4.825 1.00 0.75 H new ATOM 0 HA LEU A 100 8.999 13.785 3.525 1.00 0.76 H new ATOM 0 HB2 LEU A 100 6.983 11.658 2.876 1.00 0.86 H new ATOM 0 HB3 LEU A 100 7.288 12.777 1.563 1.00 0.86 H new ATOM 0 HG LEU A 100 9.852 12.365 2.280 1.00 0.79 H new ATOM 0 HD11 LEU A 100 10.167 10.000 2.957 1.00 1.41 H new ATOM 0 HD12 LEU A 100 9.248 10.899 4.187 1.00 1.41 H new ATOM 0 HD13 LEU A 100 8.403 9.798 3.074 1.00 1.41 H new ATOM 0 HD21 LEU A 100 9.938 10.595 0.542 1.00 1.41 H new ATOM 0 HD22 LEU A 100 8.173 10.395 0.659 1.00 1.41 H new ATOM 0 HD23 LEU A 100 8.857 11.921 0.050 1.00 1.41 H new ATOM 166 N PHE A 101 5.842 14.630 3.121 1.00 0.60 N ATOM 167 CA PHE A 101 4.997 15.809 2.776 1.00 0.59 C ATOM 168 C PHE A 101 5.197 16.916 3.813 1.00 0.60 C ATOM 169 O PHE A 101 4.983 18.081 3.544 1.00 0.72 O ATOM 170 CB PHE A 101 3.560 15.287 2.817 1.00 0.61 C ATOM 171 CG PHE A 101 2.614 16.360 2.332 1.00 0.58 C ATOM 172 CD1 PHE A 101 2.432 17.527 3.084 1.00 0.68 C ATOM 173 CD2 PHE A 101 1.916 16.185 1.131 1.00 0.86 C ATOM 174 CE1 PHE A 101 1.552 18.519 2.634 1.00 0.73 C ATOM 175 CE2 PHE A 101 1.035 17.176 0.683 1.00 0.90 C ATOM 176 CZ PHE A 101 0.854 18.344 1.434 1.00 0.69 C ATOM 0 H PHE A 101 5.327 13.778 3.344 1.00 0.60 H new ATOM 0 HA PHE A 101 5.248 16.233 1.804 1.00 0.59 H new ATOM 0 HB2 PHE A 101 3.468 14.398 2.193 1.00 0.61 H new ATOM 0 HB3 PHE A 101 3.299 14.991 3.833 1.00 0.61 H new ATOM 0 HD1 PHE A 101 2.970 17.662 4.011 1.00 0.68 H new ATOM 0 HD2 PHE A 101 2.057 15.285 0.550 1.00 0.86 H new ATOM 0 HE1 PHE A 101 1.412 19.420 3.213 1.00 0.73 H new ATOM 0 HE2 PHE A 101 0.495 17.040 -0.242 1.00 0.90 H new ATOM 0 HZ PHE A 101 0.176 19.110 1.087 1.00 0.69 H new ATOM 186 N ARG A 102 5.608 16.557 4.999 1.00 0.67 N ATOM 187 CA ARG A 102 5.824 17.584 6.058 1.00 0.76 C ATOM 188 C ARG A 102 7.235 18.168 5.948 1.00 0.68 C ATOM 189 O ARG A 102 7.518 19.232 6.461 1.00 0.78 O ATOM 190 CB ARG A 102 5.657 16.826 7.375 1.00 0.99 C ATOM 191 CG ARG A 102 5.918 17.771 8.550 1.00 1.30 C ATOM 192 CD ARG A 102 6.206 16.950 9.809 1.00 1.45 C ATOM 193 NE ARG A 102 7.268 17.709 10.529 1.00 2.12 N ATOM 194 CZ ARG A 102 7.914 17.153 11.519 1.00 2.71 C ATOM 195 NH1 ARG A 102 7.641 15.927 11.877 1.00 3.07 N ATOM 196 NH2 ARG A 102 8.837 17.826 12.153 1.00 3.37 N ATOM 0 H ARG A 102 5.804 15.596 5.280 1.00 0.67 H new ATOM 0 HA ARG A 102 5.129 18.420 5.975 1.00 0.76 H new ATOM 0 HB2 ARG A 102 4.650 16.414 7.444 1.00 0.99 H new ATOM 0 HB3 ARG A 102 6.349 15.985 7.412 1.00 0.99 H new ATOM 0 HG2 ARG A 102 6.763 18.422 8.326 1.00 1.30 H new ATOM 0 HG3 ARG A 102 5.053 18.415 8.712 1.00 1.30 H new ATOM 0 HD2 ARG A 102 5.312 16.843 10.423 1.00 1.45 H new ATOM 0 HD3 ARG A 102 6.542 15.944 9.556 1.00 1.45 H new ATOM 0 HE ARG A 102 7.491 18.664 10.248 1.00 2.12 H new ATOM 0 HH11 ARG A 102 6.921 15.400 11.383 1.00 3.07 H new ATOM 0 HH12 ARG A 102 8.148 15.497 12.651 1.00 3.07 H new ATOM 0 HH21 ARG A 102 9.052 18.783 11.875 1.00 3.37 H new ATOM 0 HH22 ARG A 102 9.343 17.394 12.926 1.00 3.37 H new ATOM 210 N MET A 103 8.122 17.479 5.283 1.00 0.71 N ATOM 211 CA MET A 103 9.514 17.996 5.143 1.00 0.75 C ATOM 212 C MET A 103 9.674 18.741 3.815 1.00 0.68 C ATOM 213 O MET A 103 10.020 19.905 3.783 1.00 0.83 O ATOM 214 CB MET A 103 10.402 16.751 5.167 1.00 0.93 C ATOM 215 CG MET A 103 11.866 17.167 5.024 1.00 1.27 C ATOM 216 SD MET A 103 12.816 15.796 4.321 1.00 1.82 S ATOM 217 CE MET A 103 13.875 15.493 5.757 1.00 2.43 C ATOM 0 H MET A 103 7.944 16.582 4.831 1.00 0.71 H new ATOM 0 HA MET A 103 9.773 18.700 5.934 1.00 0.75 H new ATOM 0 HB2 MET A 103 10.257 16.206 6.100 1.00 0.93 H new ATOM 0 HB3 MET A 103 10.124 16.077 4.357 1.00 0.93 H new ATOM 0 HG2 MET A 103 11.945 18.045 4.383 1.00 1.27 H new ATOM 0 HG3 MET A 103 12.273 17.445 5.996 1.00 1.27 H new ATOM 0 HE1 MET A 103 14.555 14.669 5.540 1.00 2.43 H new ATOM 0 HE2 MET A 103 14.452 16.391 5.980 1.00 2.43 H new ATOM 0 HE3 MET A 103 13.257 15.236 6.617 1.00 2.43 H new ATOM 227 N PHE A 104 9.429 18.077 2.719 1.00 0.68 N ATOM 228 CA PHE A 104 9.572 18.747 1.394 1.00 0.79 C ATOM 229 C PHE A 104 8.901 20.123 1.413 1.00 0.71 C ATOM 230 O PHE A 104 9.548 21.141 1.265 1.00 0.88 O ATOM 231 CB PHE A 104 8.866 17.820 0.401 1.00 0.94 C ATOM 232 CG PHE A 104 9.460 16.428 0.473 1.00 1.31 C ATOM 233 CD1 PHE A 104 10.659 16.205 1.165 1.00 1.26 C ATOM 234 CD2 PHE A 104 8.809 15.360 -0.156 1.00 2.03 C ATOM 235 CE1 PHE A 104 11.203 14.917 1.227 1.00 1.86 C ATOM 236 CE2 PHE A 104 9.354 14.072 -0.093 1.00 2.65 C ATOM 237 CZ PHE A 104 10.550 13.850 0.598 1.00 2.56 C ATOM 0 H PHE A 104 9.136 17.101 2.683 1.00 0.68 H new ATOM 0 HA PHE A 104 10.617 18.911 1.129 1.00 0.79 H new ATOM 0 HB2 PHE A 104 7.800 17.780 0.624 1.00 0.94 H new ATOM 0 HB3 PHE A 104 8.966 18.214 -0.610 1.00 0.94 H new ATOM 0 HD1 PHE A 104 11.163 17.028 1.650 1.00 1.26 H new ATOM 0 HD2 PHE A 104 7.886 15.530 -0.690 1.00 2.03 H new ATOM 0 HE1 PHE A 104 12.127 14.746 1.760 1.00 1.86 H new ATOM 0 HE2 PHE A 104 8.851 13.249 -0.578 1.00 2.65 H new ATOM 0 HZ PHE A 104 10.969 12.856 0.646 1.00 2.56 H new ATOM 247 N ASP A 105 7.609 20.164 1.589 1.00 0.61 N ATOM 248 CA ASP A 105 6.900 21.476 1.612 1.00 0.60 C ATOM 249 C ASP A 105 7.690 22.495 2.438 1.00 0.56 C ATOM 250 O ASP A 105 7.546 22.575 3.642 1.00 0.63 O ATOM 251 CB ASP A 105 5.550 21.188 2.268 1.00 0.68 C ATOM 252 CG ASP A 105 4.764 22.492 2.408 1.00 0.86 C ATOM 253 OD1 ASP A 105 4.724 23.242 1.447 1.00 0.84 O ATOM 254 OD2 ASP A 105 4.215 22.719 3.474 1.00 1.45 O ATOM 0 H ASP A 105 7.013 19.346 1.718 1.00 0.61 H new ATOM 0 HA ASP A 105 6.787 21.898 0.613 1.00 0.60 H new ATOM 0 HB2 ASP A 105 4.987 20.474 1.667 1.00 0.68 H new ATOM 0 HB3 ASP A 105 5.699 20.733 3.247 1.00 0.68 H new ATOM 259 N LYS A 106 8.519 23.276 1.802 1.00 0.59 N ATOM 260 CA LYS A 106 9.313 24.291 2.555 1.00 0.66 C ATOM 261 C LYS A 106 8.402 25.431 3.016 1.00 0.55 C ATOM 262 O LYS A 106 8.792 26.273 3.801 1.00 0.63 O ATOM 263 CB LYS A 106 10.353 24.803 1.558 1.00 0.87 C ATOM 264 CG LYS A 106 11.756 24.471 2.070 1.00 1.21 C ATOM 265 CD LYS A 106 12.781 24.741 0.967 1.00 1.61 C ATOM 266 CE LYS A 106 13.286 23.412 0.401 1.00 1.77 C ATOM 267 NZ LYS A 106 14.768 23.555 0.350 1.00 2.14 N ATOM 0 H LYS A 106 8.682 23.256 0.795 1.00 0.59 H new ATOM 0 HA LYS A 106 9.779 23.874 3.447 1.00 0.66 H new ATOM 0 HB2 LYS A 106 10.193 24.346 0.582 1.00 0.87 H new ATOM 0 HB3 LYS A 106 10.247 25.880 1.427 1.00 0.87 H new ATOM 0 HG2 LYS A 106 11.985 25.073 2.949 1.00 1.21 H new ATOM 0 HG3 LYS A 106 11.804 23.426 2.378 1.00 1.21 H new ATOM 0 HD2 LYS A 106 12.329 25.337 0.174 1.00 1.61 H new ATOM 0 HD3 LYS A 106 13.615 25.319 1.365 1.00 1.61 H new ATOM 0 HE2 LYS A 106 12.991 22.575 1.035 1.00 1.77 H new ATOM 0 HE3 LYS A 106 12.873 23.222 -0.590 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 15.213 22.661 0.642 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 15.061 23.787 -0.620 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 15.066 24.316 0.993 1.00 2.14 H new ATOM 281 N ASN A 107 7.190 25.464 2.534 1.00 0.48 N ATOM 282 CA ASN A 107 6.253 26.548 2.946 1.00 0.50 C ATOM 283 C ASN A 107 5.580 26.187 4.272 1.00 0.58 C ATOM 284 O ASN A 107 5.082 27.040 4.980 1.00 0.70 O ATOM 285 CB ASN A 107 5.216 26.623 1.825 1.00 0.54 C ATOM 286 CG ASN A 107 4.606 28.025 1.787 1.00 0.70 C ATOM 287 OD1 ASN A 107 5.144 28.950 2.362 1.00 1.00 O ATOM 288 ND2 ASN A 107 3.496 28.223 1.129 1.00 0.78 N ATOM 0 H ASN A 107 6.808 24.788 1.873 1.00 0.48 H new ATOM 0 HA ASN A 107 6.763 27.500 3.095 1.00 0.50 H new ATOM 0 HB2 ASN A 107 5.683 26.392 0.867 1.00 0.54 H new ATOM 0 HB3 ASN A 107 4.435 25.880 1.987 1.00 0.54 H new ATOM 0 HD21 ASN A 107 3.081 29.154 1.098 1.00 0.78 H new ATOM 0 HD22 ASN A 107 3.044 27.447 0.646 1.00 0.78 H new ATOM 295 N ALA A 108 5.561 24.928 4.614 1.00 0.65 N ATOM 296 CA ALA A 108 4.920 24.512 5.893 1.00 0.84 C ATOM 297 C ALA A 108 3.497 25.073 5.974 1.00 0.78 C ATOM 298 O ALA A 108 3.080 25.591 6.991 1.00 0.96 O ATOM 299 CB ALA A 108 5.798 25.114 6.991 1.00 1.03 C ATOM 0 H ALA A 108 5.962 24.169 4.063 1.00 0.65 H new ATOM 0 HA ALA A 108 4.841 23.429 5.984 1.00 0.84 H new ATOM 0 HB1 ALA A 108 5.391 24.852 7.967 1.00 1.03 H new ATOM 0 HB2 ALA A 108 6.811 24.721 6.903 1.00 1.03 H new ATOM 0 HB3 ALA A 108 5.819 26.199 6.886 1.00 1.03 H new ATOM 305 N ASP A 109 2.751 24.973 4.908 1.00 0.73 N ATOM 306 CA ASP A 109 1.356 25.501 4.921 1.00 0.74 C ATOM 307 C ASP A 109 0.354 24.346 4.853 1.00 0.78 C ATOM 308 O ASP A 109 -0.843 24.544 4.927 1.00 0.96 O ATOM 309 CB ASP A 109 1.254 26.375 3.670 1.00 0.72 C ATOM 310 CG ASP A 109 1.257 25.487 2.425 1.00 1.15 C ATOM 311 OD1 ASP A 109 0.191 25.037 2.039 1.00 1.95 O ATOM 312 OD2 ASP A 109 2.327 25.271 1.879 1.00 1.66 O ATOM 0 H ASP A 109 3.046 24.549 4.029 1.00 0.73 H new ATOM 0 HA ASP A 109 1.133 26.061 5.829 1.00 0.74 H new ATOM 0 HB2 ASP A 109 0.341 26.970 3.703 1.00 0.72 H new ATOM 0 HB3 ASP A 109 2.089 27.074 3.633 1.00 0.72 H new ATOM 317 N GLY A 110 0.833 23.140 4.714 1.00 0.76 N ATOM 318 CA GLY A 110 -0.093 21.974 4.643 1.00 0.85 C ATOM 319 C GLY A 110 -0.270 21.546 3.185 1.00 0.70 C ATOM 320 O GLY A 110 -0.751 20.467 2.900 1.00 0.73 O ATOM 0 H GLY A 110 1.825 22.912 4.647 1.00 0.76 H new ATOM 0 HA2 GLY A 110 0.304 21.146 5.230 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -1.059 22.237 5.075 1.00 0.85 H new ATOM 324 N TYR A 111 0.113 22.381 2.258 1.00 0.68 N ATOM 325 CA TYR A 111 -0.037 22.015 0.819 1.00 0.60 C ATOM 326 C TYR A 111 1.187 22.477 0.023 1.00 0.58 C ATOM 327 O TYR A 111 1.729 23.538 0.258 1.00 0.83 O ATOM 328 CB TYR A 111 -1.291 22.753 0.348 1.00 0.68 C ATOM 329 CG TYR A 111 -2.390 22.593 1.372 1.00 0.68 C ATOM 330 CD1 TYR A 111 -3.199 21.450 1.359 1.00 0.78 C ATOM 331 CD2 TYR A 111 -2.602 23.590 2.332 1.00 0.71 C ATOM 332 CE1 TYR A 111 -4.219 21.304 2.307 1.00 0.83 C ATOM 333 CE2 TYR A 111 -3.622 23.443 3.280 1.00 0.78 C ATOM 334 CZ TYR A 111 -4.430 22.300 3.267 1.00 0.80 C ATOM 335 OH TYR A 111 -5.436 22.156 4.201 1.00 0.90 O ATOM 0 H TYR A 111 0.522 23.299 2.433 1.00 0.68 H new ATOM 0 HA TYR A 111 -0.121 20.938 0.676 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -1.069 23.810 0.201 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -1.617 22.359 -0.614 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -3.036 20.681 0.618 1.00 0.78 H new ATOM 0 HD2 TYR A 111 -1.979 24.472 2.341 1.00 0.71 H new ATOM 0 HE1 TYR A 111 -4.843 20.423 2.297 1.00 0.83 H new ATOM 0 HE2 TYR A 111 -3.785 24.211 4.021 1.00 0.78 H new ATOM 0 HH TYR A 111 -5.446 22.936 4.794 1.00 0.90 H new ATOM 345 N ILE A 112 1.624 21.687 -0.920 1.00 0.50 N ATOM 346 CA ILE A 112 2.811 22.079 -1.734 1.00 0.50 C ATOM 347 C ILE A 112 2.359 22.658 -3.078 1.00 0.49 C ATOM 348 O ILE A 112 1.635 22.029 -3.824 1.00 0.66 O ATOM 349 CB ILE A 112 3.594 20.780 -1.940 1.00 0.50 C ATOM 350 CG1 ILE A 112 4.376 20.449 -0.666 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.573 20.946 -3.105 1.00 0.58 C ATOM 352 CD1 ILE A 112 4.961 19.041 -0.778 1.00 0.66 C ATOM 0 H ILE A 112 1.210 20.787 -1.162 1.00 0.50 H new ATOM 0 HA ILE A 112 3.416 22.844 -1.247 1.00 0.50 H new ATOM 0 HB ILE A 112 2.897 19.972 -2.164 1.00 0.50 H new ATOM 0 HG12 ILE A 112 5.175 21.176 -0.518 1.00 0.62 H new ATOM 0 HG13 ILE A 112 3.721 20.514 0.203 1.00 0.62 H new ATOM 0 HG21 ILE A 112 5.128 20.019 -3.248 1.00 0.58 H new ATOM 0 HG22 ILE A 112 4.020 21.182 -4.014 1.00 0.58 H new ATOM 0 HG23 ILE A 112 5.269 21.755 -2.883 1.00 0.58 H new ATOM 0 HD11 ILE A 112 5.518 18.805 0.129 1.00 0.66 H new ATOM 0 HD12 ILE A 112 4.153 18.320 -0.906 1.00 0.66 H new ATOM 0 HD13 ILE A 112 5.630 18.992 -1.637 1.00 0.66 H new ATOM 364 N ASP A 113 2.782 23.853 -3.394 1.00 0.47 N ATOM 365 CA ASP A 113 2.374 24.467 -4.690 1.00 0.50 C ATOM 366 C ASP A 113 3.369 24.091 -5.790 1.00 0.50 C ATOM 367 O ASP A 113 4.289 23.329 -5.574 1.00 0.57 O ATOM 368 CB ASP A 113 2.397 25.976 -4.443 1.00 0.60 C ATOM 369 CG ASP A 113 1.364 26.654 -5.344 1.00 1.17 C ATOM 370 OD1 ASP A 113 0.615 25.942 -5.993 1.00 1.77 O ATOM 371 OD2 ASP A 113 1.339 27.874 -5.371 1.00 1.85 O ATOM 0 H ASP A 113 3.391 24.429 -2.812 1.00 0.47 H new ATOM 0 HA ASP A 113 1.392 24.123 -5.016 1.00 0.50 H new ATOM 0 HB2 ASP A 113 2.178 26.188 -3.396 1.00 0.60 H new ATOM 0 HB3 ASP A 113 3.391 26.374 -4.647 1.00 0.60 H new ATOM 376 N LEU A 114 3.192 24.620 -6.969 1.00 0.52 N ATOM 377 CA LEU A 114 4.128 24.291 -8.082 1.00 0.57 C ATOM 378 C LEU A 114 5.516 24.871 -7.798 1.00 0.63 C ATOM 379 O LEU A 114 6.523 24.312 -8.184 1.00 0.80 O ATOM 380 CB LEU A 114 3.515 24.948 -9.318 1.00 0.62 C ATOM 381 CG LEU A 114 2.835 23.882 -10.178 1.00 0.61 C ATOM 382 CD1 LEU A 114 1.900 24.558 -11.182 1.00 0.91 C ATOM 383 CD2 LEU A 114 3.899 23.082 -10.932 1.00 0.81 C ATOM 0 H LEU A 114 2.440 25.266 -7.210 1.00 0.52 H new ATOM 0 HA LEU A 114 4.256 23.216 -8.211 1.00 0.57 H new ATOM 0 HB2 LEU A 114 2.791 25.706 -9.019 1.00 0.62 H new ATOM 0 HB3 LEU A 114 4.288 25.456 -9.894 1.00 0.62 H new ATOM 0 HG LEU A 114 2.260 23.212 -9.539 1.00 0.61 H new ATOM 0 HD11 LEU A 114 1.415 23.799 -11.796 1.00 0.91 H new ATOM 0 HD12 LEU A 114 1.143 25.130 -10.646 1.00 0.91 H new ATOM 0 HD13 LEU A 114 2.475 25.228 -11.821 1.00 0.91 H new ATOM 0 HD21 LEU A 114 3.416 22.322 -11.546 1.00 0.81 H new ATOM 0 HD22 LEU A 114 4.474 23.753 -11.571 1.00 0.81 H new ATOM 0 HD23 LEU A 114 4.567 22.601 -10.217 1.00 0.81 H new ATOM 395 N ASP A 115 5.576 25.989 -7.127 1.00 0.61 N ATOM 396 CA ASP A 115 6.899 26.604 -6.820 1.00 0.71 C ATOM 397 C ASP A 115 7.658 25.751 -5.800 1.00 0.65 C ATOM 398 O ASP A 115 8.778 25.340 -6.032 1.00 0.89 O ATOM 399 CB ASP A 115 6.570 27.977 -6.233 1.00 0.80 C ATOM 400 CG ASP A 115 6.554 29.020 -7.352 1.00 1.17 C ATOM 401 OD1 ASP A 115 6.192 28.665 -8.461 1.00 1.76 O ATOM 402 OD2 ASP A 115 6.904 30.157 -7.080 1.00 1.76 O ATOM 0 H ASP A 115 4.767 26.503 -6.778 1.00 0.61 H new ATOM 0 HA ASP A 115 7.534 26.679 -7.703 1.00 0.71 H new ATOM 0 HB2 ASP A 115 5.601 27.948 -5.734 1.00 0.80 H new ATOM 0 HB3 ASP A 115 7.309 28.248 -5.479 1.00 0.80 H new ATOM 407 N GLU A 116 7.060 25.483 -4.673 1.00 0.51 N ATOM 408 CA GLU A 116 7.752 24.659 -3.640 1.00 0.48 C ATOM 409 C GLU A 116 8.026 23.251 -4.176 1.00 0.49 C ATOM 410 O GLU A 116 8.775 22.491 -3.596 1.00 0.63 O ATOM 411 CB GLU A 116 6.780 24.601 -2.461 1.00 0.48 C ATOM 412 CG GLU A 116 6.711 25.973 -1.786 1.00 0.57 C ATOM 413 CD GLU A 116 5.273 26.493 -1.831 1.00 0.60 C ATOM 414 OE1 GLU A 116 4.531 26.052 -2.693 1.00 1.36 O ATOM 415 OE2 GLU A 116 4.939 27.324 -1.003 1.00 1.19 O ATOM 0 H GLU A 116 6.123 25.798 -4.422 1.00 0.51 H new ATOM 0 HA GLU A 116 8.715 25.083 -3.356 1.00 0.48 H new ATOM 0 HB2 GLU A 116 5.790 24.304 -2.807 1.00 0.48 H new ATOM 0 HB3 GLU A 116 7.106 23.848 -1.744 1.00 0.48 H new ATOM 0 HG2 GLU A 116 7.050 25.899 -0.753 1.00 0.57 H new ATOM 0 HG3 GLU A 116 7.378 26.672 -2.291 1.00 0.57 H new ATOM 422 N LEU A 117 7.424 22.895 -5.279 1.00 0.48 N ATOM 423 CA LEU A 117 7.654 21.533 -5.845 1.00 0.52 C ATOM 424 C LEU A 117 9.080 21.418 -6.392 1.00 0.58 C ATOM 425 O LEU A 117 9.725 20.398 -6.256 1.00 0.69 O ATOM 426 CB LEU A 117 6.636 21.394 -6.979 1.00 0.55 C ATOM 427 CG LEU A 117 5.359 20.734 -6.452 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.350 20.600 -7.594 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.686 19.343 -5.900 1.00 0.53 C ATOM 0 H LEU A 117 6.785 23.485 -5.811 1.00 0.48 H new ATOM 0 HA LEU A 117 7.537 20.752 -5.093 1.00 0.52 H new ATOM 0 HB2 LEU A 117 6.405 22.375 -7.394 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.058 20.797 -7.787 1.00 0.55 H new ATOM 0 HG LEU A 117 4.937 21.349 -5.657 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.440 20.130 -7.222 1.00 0.58 H new ATOM 0 HD12 LEU A 117 4.113 21.588 -7.988 1.00 0.58 H new ATOM 0 HD13 LEU A 117 4.777 19.986 -8.387 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.775 18.877 -5.526 1.00 0.53 H new ATOM 0 HD22 LEU A 117 6.110 18.727 -6.693 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.407 19.434 -5.087 1.00 0.53 H new ATOM 441 N LYS A 118 9.575 22.454 -7.014 1.00 0.59 N ATOM 442 CA LYS A 118 10.957 22.397 -7.572 1.00 0.69 C ATOM 443 C LYS A 118 11.978 22.858 -6.527 1.00 0.64 C ATOM 444 O LYS A 118 13.161 22.613 -6.652 1.00 0.73 O ATOM 445 CB LYS A 118 10.942 23.351 -8.768 1.00 0.83 C ATOM 446 CG LYS A 118 10.954 24.798 -8.272 1.00 0.99 C ATOM 447 CD LYS A 118 10.821 25.748 -9.464 1.00 1.35 C ATOM 448 CE LYS A 118 11.418 27.110 -9.104 1.00 1.51 C ATOM 449 NZ LYS A 118 12.890 26.885 -9.061 1.00 1.99 N ATOM 0 H LYS A 118 9.083 23.336 -7.160 1.00 0.59 H new ATOM 0 HA LYS A 118 11.241 21.385 -7.861 1.00 0.69 H new ATOM 0 HB2 LYS A 118 11.808 23.167 -9.404 1.00 0.83 H new ATOM 0 HB3 LYS A 118 10.056 23.172 -9.377 1.00 0.83 H new ATOM 0 HG2 LYS A 118 10.135 24.960 -7.571 1.00 0.99 H new ATOM 0 HG3 LYS A 118 11.879 25.001 -7.733 1.00 0.99 H new ATOM 0 HD2 LYS A 118 11.334 25.333 -10.332 1.00 1.35 H new ATOM 0 HD3 LYS A 118 9.772 25.860 -9.737 1.00 1.35 H new ATOM 0 HE2 LYS A 118 11.155 27.865 -9.845 1.00 1.51 H new ATOM 0 HE3 LYS A 118 11.044 27.463 -8.143 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 13.237 27.044 -8.094 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 13.100 25.908 -9.348 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 13.361 27.546 -9.711 1.00 1.99 H new ATOM 463 N ILE A 119 11.531 23.526 -5.498 1.00 0.68 N ATOM 464 CA ILE A 119 12.480 24.001 -4.451 1.00 0.74 C ATOM 465 C ILE A 119 12.615 22.956 -3.340 1.00 0.75 C ATOM 466 O ILE A 119 13.665 22.796 -2.751 1.00 0.85 O ATOM 467 CB ILE A 119 11.857 25.285 -3.902 1.00 0.98 C ATOM 468 CG1 ILE A 119 11.611 26.266 -5.051 1.00 1.22 C ATOM 469 CG2 ILE A 119 12.808 25.919 -2.887 1.00 1.08 C ATOM 470 CD1 ILE A 119 10.484 27.226 -4.669 1.00 1.06 C ATOM 0 H ILE A 119 10.552 23.763 -5.337 1.00 0.68 H new ATOM 0 HA ILE A 119 13.480 24.170 -4.851 1.00 0.74 H new ATOM 0 HB ILE A 119 10.910 25.050 -3.416 1.00 0.98 H new ATOM 0 HG12 ILE A 119 12.521 26.825 -5.267 1.00 1.22 H new ATOM 0 HG13 ILE A 119 11.348 25.722 -5.958 1.00 1.22 H new ATOM 0 HG21 ILE A 119 12.364 26.834 -2.495 1.00 1.08 H new ATOM 0 HG22 ILE A 119 12.984 25.222 -2.068 1.00 1.08 H new ATOM 0 HG23 ILE A 119 13.755 26.154 -3.373 1.00 1.08 H new ATOM 0 HD11 ILE A 119 10.308 27.925 -5.487 1.00 1.06 H new ATOM 0 HD12 ILE A 119 9.574 26.659 -4.474 1.00 1.06 H new ATOM 0 HD13 ILE A 119 10.765 27.779 -3.773 1.00 1.06 H new ATOM 482 N MET A 120 11.561 22.247 -3.046 1.00 0.85 N ATOM 483 CA MET A 120 11.631 21.217 -1.969 1.00 1.01 C ATOM 484 C MET A 120 12.703 20.173 -2.298 1.00 0.95 C ATOM 485 O MET A 120 13.174 19.460 -1.434 1.00 1.11 O ATOM 486 CB MET A 120 10.247 20.569 -1.952 1.00 1.17 C ATOM 487 CG MET A 120 10.037 19.782 -3.246 1.00 1.52 C ATOM 488 SD MET A 120 8.434 18.944 -3.189 1.00 1.88 S ATOM 489 CE MET A 120 9.064 17.267 -2.934 1.00 1.43 C ATOM 0 H MET A 120 10.654 22.335 -3.504 1.00 0.85 H new ATOM 0 HA MET A 120 11.895 21.650 -1.004 1.00 1.01 H new ATOM 0 HB2 MET A 120 10.155 19.906 -1.092 1.00 1.17 H new ATOM 0 HB3 MET A 120 9.477 21.334 -1.850 1.00 1.17 H new ATOM 0 HG2 MET A 120 10.078 20.454 -4.103 1.00 1.52 H new ATOM 0 HG3 MET A 120 10.836 19.052 -3.374 1.00 1.52 H new ATOM 0 HE1 MET A 120 8.268 16.636 -2.538 1.00 1.43 H new ATOM 0 HE2 MET A 120 9.411 16.860 -3.884 1.00 1.43 H new ATOM 0 HE3 MET A 120 9.893 17.293 -2.226 1.00 1.43 H new ATOM 499 N LEU A 121 13.087 20.074 -3.541 1.00 0.87 N ATOM 500 CA LEU A 121 14.123 19.071 -3.926 1.00 0.95 C ATOM 501 C LEU A 121 15.529 19.636 -3.707 1.00 0.87 C ATOM 502 O LEU A 121 16.511 18.931 -3.828 1.00 0.97 O ATOM 503 CB LEU A 121 13.880 18.801 -5.410 1.00 1.09 C ATOM 504 CG LEU A 121 13.633 17.307 -5.626 1.00 1.41 C ATOM 505 CD1 LEU A 121 14.697 16.497 -4.882 1.00 2.03 C ATOM 506 CD2 LEU A 121 12.247 16.938 -5.091 1.00 1.80 C ATOM 0 H LEU A 121 12.729 20.644 -4.308 1.00 0.87 H new ATOM 0 HA LEU A 121 14.055 18.163 -3.327 1.00 0.95 H new ATOM 0 HB2 LEU A 121 13.022 19.376 -5.759 1.00 1.09 H new ATOM 0 HB3 LEU A 121 14.741 19.126 -5.995 1.00 1.09 H new ATOM 0 HG LEU A 121 13.686 17.082 -6.691 1.00 1.41 H new ATOM 0 HD11 LEU A 121 14.519 15.433 -5.037 1.00 2.03 H new ATOM 0 HD12 LEU A 121 15.685 16.759 -5.261 1.00 2.03 H new ATOM 0 HD13 LEU A 121 14.646 16.722 -3.817 1.00 2.03 H new ATOM 0 HD21 LEU A 121 12.069 15.874 -5.244 1.00 1.80 H new ATOM 0 HD22 LEU A 121 12.196 17.165 -4.026 1.00 1.80 H new ATOM 0 HD23 LEU A 121 11.488 17.513 -5.621 1.00 1.80 H new ATOM 518 N GLN A 122 15.633 20.902 -3.397 1.00 0.82 N ATOM 519 CA GLN A 122 16.977 21.519 -3.177 1.00 0.95 C ATOM 520 C GLN A 122 17.912 20.540 -2.457 1.00 1.04 C ATOM 521 O GLN A 122 19.114 20.581 -2.623 1.00 1.19 O ATOM 522 CB GLN A 122 16.714 22.746 -2.304 1.00 1.14 C ATOM 523 CG GLN A 122 17.202 24.003 -3.028 1.00 1.42 C ATOM 524 CD GLN A 122 16.165 25.118 -2.875 1.00 1.85 C ATOM 525 OE1 GLN A 122 15.519 25.498 -3.831 1.00 2.44 O ATOM 526 NE2 GLN A 122 15.977 25.661 -1.703 1.00 2.28 N ATOM 0 H GLN A 122 14.843 21.538 -3.286 1.00 0.82 H new ATOM 0 HA GLN A 122 17.462 21.781 -4.117 1.00 0.95 H new ATOM 0 HB2 GLN A 122 15.649 22.829 -2.087 1.00 1.14 H new ATOM 0 HB3 GLN A 122 17.227 22.642 -1.348 1.00 1.14 H new ATOM 0 HG2 GLN A 122 18.159 24.324 -2.617 1.00 1.42 H new ATOM 0 HG3 GLN A 122 17.365 23.787 -4.084 1.00 1.42 H new ATOM 0 HE21 GLN A 122 16.519 25.342 -0.900 1.00 2.28 H new ATOM 0 HE22 GLN A 122 15.288 26.404 -1.590 1.00 2.28 H new ATOM 535 N ALA A 123 17.370 19.659 -1.660 1.00 1.09 N ATOM 536 CA ALA A 123 18.234 18.682 -0.938 1.00 1.33 C ATOM 537 C ALA A 123 19.171 17.979 -1.925 1.00 1.38 C ATOM 538 O ALA A 123 20.322 17.726 -1.630 1.00 1.62 O ATOM 539 CB ALA A 123 17.265 17.679 -0.311 1.00 1.45 C ATOM 0 H ALA A 123 16.370 19.574 -1.478 1.00 1.09 H new ATOM 0 HA ALA A 123 18.862 19.162 -0.188 1.00 1.33 H new ATOM 0 HB1 ALA A 123 17.828 16.925 0.240 1.00 1.45 H new ATOM 0 HB2 ALA A 123 16.593 18.200 0.371 1.00 1.45 H new ATOM 0 HB3 ALA A 123 16.683 17.196 -1.096 1.00 1.45 H new ATOM 545 N THR A 124 18.686 17.662 -3.095 1.00 1.29 N ATOM 546 CA THR A 124 19.550 16.977 -4.100 1.00 1.47 C ATOM 547 C THR A 124 19.974 17.961 -5.195 1.00 1.44 C ATOM 548 O THR A 124 20.297 17.571 -6.300 1.00 1.72 O ATOM 549 CB THR A 124 18.677 15.866 -4.685 1.00 1.56 C ATOM 550 OG1 THR A 124 17.728 16.433 -5.579 1.00 2.16 O ATOM 551 CG2 THR A 124 17.946 15.138 -3.556 1.00 1.92 C ATOM 0 H THR A 124 17.730 17.847 -3.399 1.00 1.29 H new ATOM 0 HA THR A 124 20.465 16.584 -3.656 1.00 1.47 H new ATOM 0 HB THR A 124 19.305 15.156 -5.223 1.00 1.56 H new ATOM 0 HG1 THR A 124 17.277 15.718 -6.075 1.00 2.16 H new ATOM 0 HG21 THR A 124 17.325 14.347 -3.976 1.00 1.92 H new ATOM 0 HG22 THR A 124 18.675 14.703 -2.872 1.00 1.92 H new ATOM 0 HG23 THR A 124 17.317 15.845 -3.015 1.00 1.92 H new ATOM 559 N GLY A 125 19.980 19.232 -4.898 1.00 1.26 N ATOM 560 CA GLY A 125 20.387 20.236 -5.922 1.00 1.32 C ATOM 561 C GLY A 125 19.196 20.580 -6.821 1.00 1.26 C ATOM 562 O GLY A 125 19.320 21.360 -7.743 1.00 1.63 O ATOM 0 H GLY A 125 19.721 19.619 -3.990 1.00 1.26 H new ATOM 0 HA2 GLY A 125 20.756 21.137 -5.433 1.00 1.32 H new ATOM 0 HA3 GLY A 125 21.206 19.842 -6.524 1.00 1.32 H new ATOM 566 N GLU A 126 18.050 20.001 -6.553 1.00 1.02 N ATOM 567 CA GLU A 126 16.826 20.275 -7.376 1.00 1.08 C ATOM 568 C GLU A 126 17.188 20.602 -8.830 1.00 0.89 C ATOM 569 O GLU A 126 16.777 21.610 -9.371 1.00 0.87 O ATOM 570 CB GLU A 126 16.141 21.469 -6.697 1.00 1.34 C ATOM 571 CG GLU A 126 16.885 22.770 -7.017 1.00 1.45 C ATOM 572 CD GLU A 126 15.900 23.791 -7.588 1.00 1.61 C ATOM 573 OE1 GLU A 126 15.035 24.229 -6.848 1.00 2.16 O ATOM 574 OE2 GLU A 126 16.026 24.117 -8.757 1.00 2.09 O ATOM 0 H GLU A 126 17.908 19.341 -5.789 1.00 1.02 H new ATOM 0 HA GLU A 126 16.173 19.403 -7.422 1.00 1.08 H new ATOM 0 HB2 GLU A 126 15.107 21.542 -7.034 1.00 1.34 H new ATOM 0 HB3 GLU A 126 16.114 21.315 -5.618 1.00 1.34 H new ATOM 0 HG2 GLU A 126 17.354 23.165 -6.116 1.00 1.45 H new ATOM 0 HG3 GLU A 126 17.684 22.578 -7.734 1.00 1.45 H new ATOM 581 N THR A 127 17.950 19.755 -9.469 1.00 1.09 N ATOM 582 CA THR A 127 18.330 20.019 -10.887 1.00 1.21 C ATOM 583 C THR A 127 17.468 19.175 -11.830 1.00 1.29 C ATOM 584 O THR A 127 17.768 18.029 -12.103 1.00 1.60 O ATOM 585 CB THR A 127 19.801 19.610 -10.991 1.00 1.57 C ATOM 586 OG1 THR A 127 20.196 19.615 -12.356 1.00 1.91 O ATOM 587 CG2 THR A 127 19.987 18.207 -10.411 1.00 2.18 C ATOM 0 H THR A 127 18.325 18.894 -9.071 1.00 1.09 H new ATOM 0 HA THR A 127 18.180 21.062 -11.167 1.00 1.21 H new ATOM 0 HB THR A 127 20.414 20.316 -10.431 1.00 1.57 H new ATOM 0 HG1 THR A 127 21.138 19.355 -12.425 1.00 1.91 H new ATOM 0 HG21 THR A 127 21.035 17.918 -10.486 1.00 2.18 H new ATOM 0 HG22 THR A 127 19.684 18.203 -9.364 1.00 2.18 H new ATOM 0 HG23 THR A 127 19.375 17.499 -10.969 1.00 2.18 H new ATOM 595 N ILE A 128 16.399 19.732 -12.329 1.00 1.08 N ATOM 596 CA ILE A 128 15.517 18.961 -13.253 1.00 1.20 C ATOM 597 C ILE A 128 15.107 19.832 -14.443 1.00 1.18 C ATOM 598 O ILE A 128 15.201 21.043 -14.400 1.00 1.15 O ATOM 599 CB ILE A 128 14.295 18.589 -12.414 1.00 1.12 C ATOM 600 CG1 ILE A 128 13.256 17.900 -13.303 1.00 1.32 C ATOM 601 CG2 ILE A 128 13.686 19.856 -11.810 1.00 1.62 C ATOM 602 CD1 ILE A 128 11.964 17.692 -12.511 1.00 2.03 C ATOM 0 H ILE A 128 16.097 20.687 -12.138 1.00 1.08 H new ATOM 0 HA ILE A 128 16.014 18.081 -13.661 1.00 1.20 H new ATOM 0 HB ILE A 128 14.596 17.913 -11.614 1.00 1.12 H new ATOM 0 HG12 ILE A 128 13.059 18.506 -14.187 1.00 1.32 H new ATOM 0 HG13 ILE A 128 13.639 16.941 -13.652 1.00 1.32 H new ATOM 0 HG21 ILE A 128 12.814 19.591 -11.212 1.00 1.62 H new ATOM 0 HG22 ILE A 128 14.424 20.349 -11.177 1.00 1.62 H new ATOM 0 HG23 ILE A 128 13.385 20.532 -12.610 1.00 1.62 H new ATOM 0 HD11 ILE A 128 11.224 17.202 -13.144 1.00 2.03 H new ATOM 0 HD12 ILE A 128 12.167 17.069 -11.640 1.00 2.03 H new ATOM 0 HD13 ILE A 128 11.578 18.658 -12.184 1.00 2.03 H new ATOM 614 N THR A 129 14.652 19.227 -15.506 1.00 1.34 N ATOM 615 CA THR A 129 14.236 20.023 -16.696 1.00 1.42 C ATOM 616 C THR A 129 12.984 20.843 -16.374 1.00 1.16 C ATOM 617 O THR A 129 12.152 20.439 -15.586 1.00 0.97 O ATOM 618 CB THR A 129 13.935 18.987 -17.780 1.00 1.64 C ATOM 619 OG1 THR A 129 13.135 17.949 -17.231 1.00 2.23 O ATOM 620 CG2 THR A 129 15.245 18.401 -18.306 1.00 2.28 C ATOM 0 H THR A 129 14.550 18.217 -15.602 1.00 1.34 H new ATOM 0 HA THR A 129 15.005 20.729 -17.009 1.00 1.42 H new ATOM 0 HB THR A 129 13.399 19.464 -18.600 1.00 1.64 H new ATOM 0 HG1 THR A 129 12.474 17.660 -17.894 1.00 2.23 H new ATOM 0 HG21 THR A 129 15.029 17.663 -19.078 1.00 2.28 H new ATOM 0 HG22 THR A 129 15.857 19.198 -18.727 1.00 2.28 H new ATOM 0 HG23 THR A 129 15.784 17.923 -17.488 1.00 2.28 H new ATOM 628 N GLU A 130 12.845 21.993 -16.975 1.00 1.31 N ATOM 629 CA GLU A 130 11.647 22.838 -16.702 1.00 1.28 C ATOM 630 C GLU A 130 10.389 22.177 -17.273 1.00 1.16 C ATOM 631 O GLU A 130 9.280 22.581 -16.984 1.00 1.21 O ATOM 632 CB GLU A 130 11.926 24.163 -17.414 1.00 1.69 C ATOM 633 CG GLU A 130 11.922 23.942 -18.928 1.00 2.05 C ATOM 634 CD GLU A 130 12.178 25.272 -19.638 1.00 2.43 C ATOM 635 OE1 GLU A 130 11.578 26.258 -19.242 1.00 3.03 O ATOM 636 OE2 GLU A 130 12.969 25.283 -20.566 1.00 2.70 O ATOM 0 H GLU A 130 13.509 22.384 -17.643 1.00 1.31 H new ATOM 0 HA GLU A 130 11.475 22.976 -15.635 1.00 1.28 H new ATOM 0 HB2 GLU A 130 11.170 24.900 -17.142 1.00 1.69 H new ATOM 0 HB3 GLU A 130 12.889 24.562 -17.097 1.00 1.69 H new ATOM 0 HG2 GLU A 130 12.689 23.218 -19.203 1.00 2.05 H new ATOM 0 HG3 GLU A 130 10.964 23.528 -19.243 1.00 2.05 H new ATOM 643 N ASP A 131 10.552 21.166 -18.081 1.00 1.18 N ATOM 644 CA ASP A 131 9.363 20.483 -18.669 1.00 1.19 C ATOM 645 C ASP A 131 8.799 19.456 -17.683 1.00 1.07 C ATOM 646 O ASP A 131 7.621 19.159 -17.688 1.00 1.14 O ATOM 647 CB ASP A 131 9.886 19.788 -19.927 1.00 1.44 C ATOM 648 CG ASP A 131 9.357 20.512 -21.167 1.00 1.48 C ATOM 649 OD1 ASP A 131 9.172 21.716 -21.092 1.00 1.91 O ATOM 650 OD2 ASP A 131 9.146 19.851 -22.170 1.00 2.07 O ATOM 0 H ASP A 131 11.455 20.783 -18.360 1.00 1.18 H new ATOM 0 HA ASP A 131 8.557 21.181 -18.894 1.00 1.19 H new ATOM 0 HB2 ASP A 131 10.976 19.789 -19.929 1.00 1.44 H new ATOM 0 HB3 ASP A 131 9.568 18.745 -19.938 1.00 1.44 H new ATOM 655 N ASP A 132 9.630 18.911 -16.838 1.00 1.00 N ATOM 656 CA ASP A 132 9.138 17.903 -15.855 1.00 1.03 C ATOM 657 C ASP A 132 8.606 18.600 -14.600 1.00 0.88 C ATOM 658 O ASP A 132 7.876 18.021 -13.819 1.00 1.03 O ATOM 659 CB ASP A 132 10.358 17.047 -15.519 1.00 1.13 C ATOM 660 CG ASP A 132 10.546 15.981 -16.600 1.00 1.39 C ATOM 661 OD1 ASP A 132 11.219 16.268 -17.576 1.00 1.99 O ATOM 662 OD2 ASP A 132 10.012 14.897 -16.435 1.00 1.79 O ATOM 0 H ASP A 132 10.627 19.119 -16.785 1.00 1.00 H new ATOM 0 HA ASP A 132 8.319 17.304 -16.254 1.00 1.03 H new ATOM 0 HB2 ASP A 132 11.248 17.673 -15.452 1.00 1.13 H new ATOM 0 HB3 ASP A 132 10.227 16.574 -14.546 1.00 1.13 H new ATOM 667 N ILE A 133 8.966 19.838 -14.399 1.00 0.75 N ATOM 668 CA ILE A 133 8.480 20.569 -13.193 1.00 0.77 C ATOM 669 C ILE A 133 6.952 20.655 -13.210 1.00 0.70 C ATOM 670 O ILE A 133 6.304 20.569 -12.186 1.00 0.82 O ATOM 671 CB ILE A 133 9.098 21.963 -13.299 1.00 0.87 C ATOM 672 CG1 ILE A 133 10.616 21.858 -13.143 1.00 0.96 C ATOM 673 CG2 ILE A 133 8.534 22.857 -12.192 1.00 1.06 C ATOM 674 CD1 ILE A 133 10.949 21.310 -11.755 1.00 1.00 C ATOM 0 H ILE A 133 9.575 20.375 -15.016 1.00 0.75 H new ATOM 0 HA ILE A 133 8.760 20.070 -12.265 1.00 0.77 H new ATOM 0 HB ILE A 133 8.859 22.394 -14.271 1.00 0.87 H new ATOM 0 HG12 ILE A 133 11.027 21.204 -13.912 1.00 0.96 H new ATOM 0 HG13 ILE A 133 11.075 22.837 -13.279 1.00 0.96 H new ATOM 0 HG21 ILE A 133 8.975 23.851 -12.267 1.00 1.06 H new ATOM 0 HG22 ILE A 133 7.452 22.931 -12.300 1.00 1.06 H new ATOM 0 HG23 ILE A 133 8.773 22.427 -11.220 1.00 1.06 H new ATOM 0 HD11 ILE A 133 12.031 21.235 -11.643 1.00 1.00 H new ATOM 0 HD12 ILE A 133 10.551 21.981 -10.994 1.00 1.00 H new ATOM 0 HD13 ILE A 133 10.503 20.323 -11.637 1.00 1.00 H new ATOM 686 N GLU A 134 6.371 20.821 -14.366 1.00 0.61 N ATOM 687 CA GLU A 134 4.886 20.910 -14.448 1.00 0.64 C ATOM 688 C GLU A 134 4.287 19.517 -14.659 1.00 0.64 C ATOM 689 O GLU A 134 3.133 19.275 -14.366 1.00 0.76 O ATOM 690 CB GLU A 134 4.609 21.805 -15.657 1.00 0.73 C ATOM 691 CG GLU A 134 4.891 23.263 -15.288 1.00 0.89 C ATOM 692 CD GLU A 134 3.942 24.179 -16.063 1.00 1.21 C ATOM 693 OE1 GLU A 134 3.015 23.665 -16.668 1.00 1.86 O ATOM 694 OE2 GLU A 134 4.157 25.380 -16.039 1.00 1.87 O ATOM 0 H GLU A 134 6.860 20.899 -15.258 1.00 0.61 H new ATOM 0 HA GLU A 134 4.443 21.311 -13.536 1.00 0.64 H new ATOM 0 HB2 GLU A 134 5.235 21.504 -16.497 1.00 0.73 H new ATOM 0 HB3 GLU A 134 3.573 21.693 -15.976 1.00 0.73 H new ATOM 0 HG2 GLU A 134 4.760 23.410 -14.216 1.00 0.89 H new ATOM 0 HG3 GLU A 134 5.926 23.514 -15.520 1.00 0.89 H new ATOM 701 N GLU A 135 5.065 18.598 -15.164 1.00 0.59 N ATOM 702 CA GLU A 135 4.543 17.220 -15.392 1.00 0.67 C ATOM 703 C GLU A 135 4.301 16.520 -14.051 1.00 0.74 C ATOM 704 O GLU A 135 3.269 15.917 -13.833 1.00 0.91 O ATOM 705 CB GLU A 135 5.643 16.507 -16.180 1.00 0.72 C ATOM 706 CG GLU A 135 5.065 15.969 -17.491 1.00 1.16 C ATOM 707 CD GLU A 135 6.124 16.059 -18.592 1.00 1.56 C ATOM 708 OE1 GLU A 135 7.238 16.448 -18.284 1.00 2.03 O ATOM 709 OE2 GLU A 135 5.801 15.737 -19.724 1.00 2.29 O ATOM 0 H GLU A 135 6.040 18.742 -15.429 1.00 0.59 H new ATOM 0 HA GLU A 135 3.593 17.219 -15.927 1.00 0.67 H new ATOM 0 HB2 GLU A 135 6.462 17.196 -16.387 1.00 0.72 H new ATOM 0 HB3 GLU A 135 6.056 15.689 -15.590 1.00 0.72 H new ATOM 0 HG2 GLU A 135 4.746 14.935 -17.363 1.00 1.16 H new ATOM 0 HG3 GLU A 135 4.182 16.542 -17.774 1.00 1.16 H new ATOM 716 N LEU A 136 5.243 16.597 -13.151 1.00 0.73 N ATOM 717 CA LEU A 136 5.064 15.938 -11.826 1.00 0.87 C ATOM 718 C LEU A 136 3.817 16.487 -11.129 1.00 0.81 C ATOM 719 O LEU A 136 3.207 15.825 -10.312 1.00 1.00 O ATOM 720 CB LEU A 136 6.321 16.295 -11.031 1.00 0.99 C ATOM 721 CG LEU A 136 7.534 15.602 -11.652 1.00 1.09 C ATOM 722 CD1 LEU A 136 8.732 16.552 -11.629 1.00 1.74 C ATOM 723 CD2 LEU A 136 7.869 14.344 -10.847 1.00 1.75 C ATOM 0 H LEU A 136 6.129 17.088 -13.276 1.00 0.73 H new ATOM 0 HA LEU A 136 4.932 14.860 -11.916 1.00 0.87 H new ATOM 0 HB2 LEU A 136 6.468 17.375 -11.029 1.00 0.99 H new ATOM 0 HB3 LEU A 136 6.206 15.987 -9.992 1.00 0.99 H new ATOM 0 HG LEU A 136 7.307 15.327 -12.682 1.00 1.09 H new ATOM 0 HD11 LEU A 136 9.597 16.058 -12.072 1.00 1.74 H new ATOM 0 HD12 LEU A 136 8.495 17.450 -12.200 1.00 1.74 H new ATOM 0 HD13 LEU A 136 8.959 16.826 -10.599 1.00 1.74 H new ATOM 0 HD21 LEU A 136 8.734 13.849 -11.289 1.00 1.75 H new ATOM 0 HD22 LEU A 136 8.096 14.621 -9.817 1.00 1.75 H new ATOM 0 HD23 LEU A 136 7.016 13.665 -10.861 1.00 1.75 H new ATOM 735 N MET A 137 3.434 17.694 -11.445 1.00 0.67 N ATOM 736 CA MET A 137 2.227 18.288 -10.801 1.00 0.71 C ATOM 737 C MET A 137 1.041 17.325 -10.906 1.00 0.68 C ATOM 738 O MET A 137 0.372 17.039 -9.932 1.00 0.70 O ATOM 739 CB MET A 137 1.951 19.569 -11.589 1.00 0.82 C ATOM 740 CG MET A 137 1.834 20.749 -10.622 1.00 0.99 C ATOM 741 SD MET A 137 0.202 20.727 -9.840 1.00 0.94 S ATOM 742 CE MET A 137 0.760 21.002 -8.141 1.00 0.53 C ATOM 0 H MET A 137 3.905 18.295 -12.122 1.00 0.67 H new ATOM 0 HA MET A 137 2.379 18.486 -9.740 1.00 0.71 H new ATOM 0 HB2 MET A 137 2.754 19.749 -12.303 1.00 0.82 H new ATOM 0 HB3 MET A 137 1.031 19.464 -12.164 1.00 0.82 H new ATOM 0 HG2 MET A 137 2.614 20.690 -9.863 1.00 0.99 H new ATOM 0 HG3 MET A 137 1.980 21.687 -11.157 1.00 0.99 H new ATOM 0 HE1 MET A 137 0.046 21.642 -7.623 1.00 0.53 H new ATOM 0 HE2 MET A 137 0.833 20.046 -7.623 1.00 0.53 H new ATOM 0 HE3 MET A 137 1.738 21.484 -8.153 1.00 0.53 H new ATOM 752 N LYS A 138 0.774 16.822 -12.081 1.00 0.76 N ATOM 753 CA LYS A 138 -0.370 15.878 -12.247 1.00 0.82 C ATOM 754 C LYS A 138 -0.295 14.764 -11.200 1.00 0.72 C ATOM 755 O LYS A 138 -1.192 14.589 -10.399 1.00 0.84 O ATOM 756 CB LYS A 138 -0.204 15.298 -13.652 1.00 0.99 C ATOM 757 CG LYS A 138 -0.691 16.314 -14.686 1.00 1.57 C ATOM 758 CD LYS A 138 -0.353 15.810 -16.090 1.00 2.09 C ATOM 759 CE LYS A 138 -1.356 16.385 -17.094 1.00 2.74 C ATOM 760 NZ LYS A 138 -0.592 16.519 -18.365 1.00 3.43 N ATOM 0 H LYS A 138 1.298 17.023 -12.933 1.00 0.76 H new ATOM 0 HA LYS A 138 -1.333 16.372 -12.118 1.00 0.82 H new ATOM 0 HB2 LYS A 138 0.842 15.052 -13.834 1.00 0.99 H new ATOM 0 HB3 LYS A 138 -0.770 14.371 -13.743 1.00 0.99 H new ATOM 0 HG2 LYS A 138 -1.767 16.461 -14.589 1.00 1.57 H new ATOM 0 HG3 LYS A 138 -0.220 17.281 -14.512 1.00 1.57 H new ATOM 0 HD2 LYS A 138 0.660 16.108 -16.361 1.00 2.09 H new ATOM 0 HD3 LYS A 138 -0.382 14.721 -16.114 1.00 2.09 H new ATOM 0 HE2 LYS A 138 -2.215 15.725 -17.217 1.00 2.74 H new ATOM 0 HE3 LYS A 138 -1.740 17.349 -16.761 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 -1.212 16.908 -19.104 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 0.215 17.158 -18.219 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 -0.244 15.585 -18.661 1.00 3.43 H new ATOM 774 N ASP A 139 0.766 14.006 -11.206 1.00 0.75 N ATOM 775 CA ASP A 139 0.900 12.898 -10.217 1.00 0.78 C ATOM 776 C ASP A 139 0.570 13.397 -8.807 1.00 0.70 C ATOM 777 O ASP A 139 0.123 12.646 -7.962 1.00 0.81 O ATOM 778 CB ASP A 139 2.365 12.467 -10.302 1.00 0.97 C ATOM 779 CG ASP A 139 2.607 11.736 -11.624 1.00 1.16 C ATOM 780 OD1 ASP A 139 1.962 10.724 -11.845 1.00 1.66 O ATOM 781 OD2 ASP A 139 3.432 12.200 -12.393 1.00 1.69 O ATOM 0 H ASP A 139 1.548 14.105 -11.854 1.00 0.75 H new ATOM 0 HA ASP A 139 0.217 12.075 -10.428 1.00 0.78 H new ATOM 0 HB2 ASP A 139 3.016 13.338 -10.232 1.00 0.97 H new ATOM 0 HB3 ASP A 139 2.613 11.816 -9.464 1.00 0.97 H new ATOM 786 N GLY A 140 0.791 14.656 -8.543 1.00 0.64 N ATOM 787 CA GLY A 140 0.492 15.195 -7.186 1.00 0.62 C ATOM 788 C GLY A 140 -0.700 16.151 -7.259 1.00 0.57 C ATOM 789 O GLY A 140 -1.032 16.816 -6.298 1.00 0.65 O ATOM 0 H GLY A 140 1.165 15.334 -9.207 1.00 0.64 H new ATOM 0 HA2 GLY A 140 0.272 14.377 -6.500 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.364 15.716 -6.791 1.00 0.62 H new ATOM 793 N ASP A 141 -1.347 16.226 -8.390 1.00 0.56 N ATOM 794 CA ASP A 141 -2.518 17.142 -8.517 1.00 0.56 C ATOM 795 C ASP A 141 -3.339 16.790 -9.760 1.00 0.58 C ATOM 796 O ASP A 141 -3.253 17.448 -10.778 1.00 0.64 O ATOM 797 CB ASP A 141 -1.915 18.541 -8.652 1.00 0.60 C ATOM 798 CG ASP A 141 -2.710 19.525 -7.791 1.00 0.75 C ATOM 799 OD1 ASP A 141 -3.926 19.441 -7.800 1.00 1.14 O ATOM 800 OD2 ASP A 141 -2.087 20.347 -7.138 1.00 1.23 O ATOM 0 H ASP A 141 -1.117 15.695 -9.230 1.00 0.56 H new ATOM 0 HA ASP A 141 -3.191 17.068 -7.663 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -0.871 18.530 -8.340 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -1.933 18.857 -9.695 1.00 0.60 H new ATOM 805 N LYS A 142 -4.137 15.761 -9.685 1.00 0.62 N ATOM 806 CA LYS A 142 -4.965 15.375 -10.863 1.00 0.70 C ATOM 807 C LYS A 142 -6.151 16.333 -11.004 1.00 0.79 C ATOM 808 O LYS A 142 -6.799 16.389 -12.030 1.00 0.92 O ATOM 809 CB LYS A 142 -5.451 13.957 -10.562 1.00 0.79 C ATOM 810 CG LYS A 142 -4.691 12.960 -11.440 1.00 0.88 C ATOM 811 CD LYS A 142 -5.595 12.491 -12.582 1.00 1.37 C ATOM 812 CE LYS A 142 -5.155 13.156 -13.888 1.00 1.79 C ATOM 813 NZ LYS A 142 -5.185 12.067 -14.904 1.00 2.44 N ATOM 0 H LYS A 142 -4.252 15.171 -8.861 1.00 0.62 H new ATOM 0 HA LYS A 142 -4.405 15.420 -11.797 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -5.295 13.723 -9.509 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -6.522 13.881 -10.750 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -3.791 13.426 -11.842 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -4.368 12.107 -10.844 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -5.544 11.406 -12.679 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -6.633 12.743 -12.365 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -5.826 13.970 -14.162 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -4.156 13.583 -13.797 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -4.895 12.446 -15.828 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -4.532 11.309 -14.620 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -6.149 11.684 -14.974 1.00 2.44 H new ATOM 827 N ASN A 143 -6.435 17.089 -9.978 1.00 0.80 N ATOM 828 CA ASN A 143 -7.575 18.047 -10.051 1.00 0.95 C ATOM 829 C ASN A 143 -7.048 19.487 -10.097 1.00 0.92 C ATOM 830 O ASN A 143 -7.773 20.418 -10.389 1.00 1.08 O ATOM 831 CB ASN A 143 -8.400 17.782 -8.778 1.00 1.07 C ATOM 832 CG ASN A 143 -7.954 18.705 -7.636 1.00 1.36 C ATOM 833 OD1 ASN A 143 -8.749 19.453 -7.104 1.00 1.95 O ATOM 834 ND2 ASN A 143 -6.713 18.681 -7.232 1.00 1.70 N ATOM 0 H ASN A 143 -5.927 17.085 -9.093 1.00 0.80 H new ATOM 0 HA ASN A 143 -8.182 17.916 -10.947 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -9.458 17.939 -8.986 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -8.286 16.741 -8.476 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -6.413 19.290 -6.471 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -6.044 18.053 -7.678 1.00 1.70 H new ATOM 841 N ASN A 144 -5.788 19.672 -9.813 1.00 0.86 N ATOM 842 CA ASN A 144 -5.206 21.045 -9.841 1.00 0.93 C ATOM 843 C ASN A 144 -6.061 22.005 -9.009 1.00 1.03 C ATOM 844 O ASN A 144 -6.571 22.988 -9.509 1.00 1.71 O ATOM 845 CB ASN A 144 -5.222 21.453 -11.315 1.00 1.08 C ATOM 846 CG ASN A 144 -3.828 21.257 -11.914 1.00 1.49 C ATOM 847 OD1 ASN A 144 -2.885 21.915 -11.519 1.00 2.18 O ATOM 848 ND2 ASN A 144 -3.655 20.373 -12.859 1.00 1.97 N ATOM 0 H ASN A 144 -5.134 18.930 -9.562 1.00 0.86 H new ATOM 0 HA ASN A 144 -4.201 21.073 -9.420 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -5.951 20.855 -11.861 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -5.528 22.495 -11.412 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -2.730 20.235 -13.265 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -4.445 19.820 -13.191 1.00 1.97 H new ATOM 855 N ASP A 145 -6.217 21.732 -7.743 1.00 0.88 N ATOM 856 CA ASP A 145 -7.034 22.636 -6.883 1.00 0.92 C ATOM 857 C ASP A 145 -6.226 23.881 -6.512 1.00 0.91 C ATOM 858 O ASP A 145 -6.698 24.754 -5.812 1.00 1.07 O ATOM 859 CB ASP A 145 -7.356 21.814 -5.634 1.00 0.93 C ATOM 860 CG ASP A 145 -6.060 21.264 -5.035 1.00 1.40 C ATOM 861 OD1 ASP A 145 -5.002 21.686 -5.472 1.00 1.89 O ATOM 862 OD2 ASP A 145 -6.148 20.429 -4.150 1.00 2.06 O ATOM 0 H ASP A 145 -5.815 20.924 -7.267 1.00 0.88 H new ATOM 0 HA ASP A 145 -7.937 22.980 -7.387 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -7.873 22.434 -4.901 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -8.028 20.994 -5.889 1.00 0.93 H new ATOM 867 N GLY A 146 -5.009 23.969 -6.975 1.00 0.84 N ATOM 868 CA GLY A 146 -4.171 25.156 -6.647 1.00 0.92 C ATOM 869 C GLY A 146 -3.032 24.734 -5.719 1.00 0.66 C ATOM 870 O GLY A 146 -2.059 25.442 -5.551 1.00 0.74 O ATOM 0 H GLY A 146 -4.559 23.270 -7.566 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -3.767 25.593 -7.560 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -4.779 25.923 -6.168 1.00 0.92 H new ATOM 874 N ARG A 147 -3.143 23.582 -5.115 1.00 0.56 N ATOM 875 CA ARG A 147 -2.065 23.114 -4.199 1.00 0.54 C ATOM 876 C ARG A 147 -2.049 21.584 -4.142 1.00 0.46 C ATOM 877 O ARG A 147 -2.983 20.928 -4.561 1.00 0.45 O ATOM 878 CB ARG A 147 -2.420 23.701 -2.833 1.00 0.77 C ATOM 879 CG ARG A 147 -3.782 23.168 -2.383 1.00 1.39 C ATOM 880 CD ARG A 147 -4.481 24.220 -1.519 1.00 1.79 C ATOM 881 NE ARG A 147 -5.774 23.597 -1.122 1.00 2.55 N ATOM 882 CZ ARG A 147 -6.768 23.550 -1.969 1.00 2.87 C ATOM 883 NH1 ARG A 147 -6.628 24.037 -3.173 1.00 3.10 N ATOM 884 NH2 ARG A 147 -7.902 23.013 -1.612 1.00 3.37 N ATOM 0 H ARG A 147 -3.933 22.945 -5.216 1.00 0.56 H new ATOM 0 HA ARG A 147 -1.075 23.429 -4.530 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -1.655 23.437 -2.103 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -2.445 24.789 -2.889 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -4.396 22.929 -3.251 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -3.655 22.244 -1.818 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -3.881 24.475 -0.645 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -4.642 25.143 -2.075 1.00 1.79 H new ATOM 0 HE ARG A 147 -5.884 23.206 -0.186 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -5.741 24.455 -3.454 1.00 3.10 H new ATOM 0 HH12 ARG A 147 -7.406 23.999 -3.832 1.00 3.10 H new ATOM 0 HH21 ARG A 147 -8.012 22.631 -0.673 1.00 3.37 H new ATOM 0 HH22 ARG A 147 -8.679 22.976 -2.272 1.00 3.37 H new ATOM 898 N ILE A 148 -0.994 21.010 -3.631 1.00 0.49 N ATOM 899 CA ILE A 148 -0.919 19.522 -3.553 1.00 0.44 C ATOM 900 C ILE A 148 -1.177 19.048 -2.120 1.00 0.46 C ATOM 901 O ILE A 148 -0.334 19.172 -1.254 1.00 0.63 O ATOM 902 CB ILE A 148 0.507 19.178 -3.982 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.706 19.561 -5.450 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.745 17.676 -3.814 1.00 0.47 C ATOM 905 CD1 ILE A 148 2.112 19.159 -5.895 1.00 0.63 C ATOM 0 H ILE A 148 -0.181 21.506 -3.264 1.00 0.49 H new ATOM 0 HA ILE A 148 -1.665 19.038 -4.183 1.00 0.44 H new ATOM 0 HB ILE A 148 1.213 19.730 -3.362 1.00 0.46 H new ATOM 0 HG12 ILE A 148 -0.040 19.064 -6.071 1.00 0.56 H new ATOM 0 HG13 ILE A 148 0.565 20.634 -5.579 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.762 17.432 -4.120 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.605 17.400 -2.769 1.00 0.47 H new ATOM 0 HG23 ILE A 148 0.038 17.124 -4.433 1.00 0.47 H new ATOM 0 HD11 ILE A 148 2.255 19.432 -6.941 1.00 0.63 H new ATOM 0 HD12 ILE A 148 2.850 19.676 -5.281 1.00 0.63 H new ATOM 0 HD13 ILE A 148 2.236 18.082 -5.781 1.00 0.63 H new ATOM 917 N ASP A 149 -2.334 18.501 -1.865 1.00 0.48 N ATOM 918 CA ASP A 149 -2.641 18.015 -0.489 1.00 0.53 C ATOM 919 C ASP A 149 -1.954 16.669 -0.245 1.00 0.53 C ATOM 920 O ASP A 149 -1.376 16.086 -1.141 1.00 0.63 O ATOM 921 CB ASP A 149 -4.161 17.855 -0.454 1.00 0.58 C ATOM 922 CG ASP A 149 -4.823 19.187 -0.812 1.00 1.05 C ATOM 923 OD1 ASP A 149 -4.961 20.014 0.075 1.00 1.65 O ATOM 924 OD2 ASP A 149 -5.180 19.358 -1.966 1.00 1.84 O ATOM 0 H ASP A 149 -3.079 18.370 -2.549 1.00 0.48 H new ATOM 0 HA ASP A 149 -2.288 18.700 0.282 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -4.472 17.082 -1.156 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -4.481 17.533 0.537 1.00 0.58 H new ATOM 929 N TYR A 150 -2.011 16.168 0.959 1.00 0.58 N ATOM 930 CA TYR A 150 -1.358 14.859 1.250 1.00 0.60 C ATOM 931 C TYR A 150 -2.185 13.712 0.665 1.00 0.59 C ATOM 932 O TYR A 150 -1.652 12.771 0.110 1.00 0.63 O ATOM 933 CB TYR A 150 -1.312 14.764 2.776 1.00 0.73 C ATOM 934 CG TYR A 150 -0.647 13.469 3.176 1.00 0.72 C ATOM 935 CD1 TYR A 150 0.481 13.016 2.480 1.00 1.15 C ATOM 936 CD2 TYR A 150 -1.158 12.719 4.242 1.00 1.22 C ATOM 937 CE1 TYR A 150 1.096 11.814 2.850 1.00 1.43 C ATOM 938 CE2 TYR A 150 -0.543 11.517 4.612 1.00 1.56 C ATOM 939 CZ TYR A 150 0.585 11.065 3.916 1.00 1.48 C ATOM 940 OH TYR A 150 1.192 9.881 4.281 1.00 1.96 O ATOM 0 H TYR A 150 -2.480 16.607 1.752 1.00 0.58 H new ATOM 0 HA TYR A 150 -0.363 14.790 0.809 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -0.763 15.611 3.188 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -2.321 14.809 3.185 1.00 0.73 H new ATOM 0 HD1 TYR A 150 0.876 13.594 1.658 1.00 1.15 H new ATOM 0 HD2 TYR A 150 -2.027 13.068 4.779 1.00 1.22 H new ATOM 0 HE1 TYR A 150 1.965 11.465 2.313 1.00 1.43 H new ATOM 0 HE2 TYR A 150 -0.938 10.939 5.434 1.00 1.56 H new ATOM 0 HH TYR A 150 1.044 9.719 5.236 1.00 1.96 H new ATOM 950 N ASP A 151 -3.484 13.781 0.780 1.00 0.64 N ATOM 951 CA ASP A 151 -4.337 12.692 0.224 1.00 0.70 C ATOM 952 C ASP A 151 -3.929 12.393 -1.220 1.00 0.63 C ATOM 953 O ASP A 151 -3.973 11.265 -1.668 1.00 0.77 O ATOM 954 CB ASP A 151 -5.765 13.235 0.280 1.00 0.79 C ATOM 955 CG ASP A 151 -5.944 14.309 -0.795 1.00 1.24 C ATOM 956 OD1 ASP A 151 -6.173 13.944 -1.936 1.00 1.90 O ATOM 957 OD2 ASP A 151 -5.850 15.478 -0.458 1.00 1.83 O ATOM 0 H ASP A 151 -3.990 14.542 1.233 1.00 0.64 H new ATOM 0 HA ASP A 151 -4.237 11.761 0.783 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -6.479 12.427 0.124 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -5.968 13.654 1.266 1.00 0.79 H new ATOM 962 N GLU A 152 -3.525 13.398 -1.950 1.00 0.54 N ATOM 963 CA GLU A 152 -3.105 13.173 -3.363 1.00 0.56 C ATOM 964 C GLU A 152 -1.635 12.751 -3.406 1.00 0.52 C ATOM 965 O GLU A 152 -1.222 11.983 -4.252 1.00 0.65 O ATOM 966 CB GLU A 152 -3.296 14.525 -4.054 1.00 0.60 C ATOM 967 CG GLU A 152 -4.566 14.490 -4.905 1.00 0.77 C ATOM 968 CD GLU A 152 -5.141 15.903 -5.022 1.00 0.72 C ATOM 969 OE1 GLU A 152 -5.168 16.595 -4.017 1.00 1.17 O ATOM 970 OE2 GLU A 152 -5.543 16.269 -6.114 1.00 1.40 O ATOM 0 H GLU A 152 -3.468 14.364 -1.629 1.00 0.54 H new ATOM 0 HA GLU A 152 -3.681 12.385 -3.849 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -3.366 15.319 -3.310 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -2.433 14.750 -4.680 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -4.342 14.094 -5.895 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.301 13.823 -4.454 1.00 0.77 H new ATOM 977 N PHE A 153 -0.843 13.249 -2.496 1.00 0.46 N ATOM 978 CA PHE A 153 0.600 12.877 -2.478 1.00 0.46 C ATOM 979 C PHE A 153 0.753 11.361 -2.624 1.00 0.50 C ATOM 980 O PHE A 153 1.564 10.881 -3.391 1.00 0.64 O ATOM 981 CB PHE A 153 1.111 13.340 -1.113 1.00 0.49 C ATOM 982 CG PHE A 153 2.603 13.556 -1.181 1.00 0.48 C ATOM 983 CD1 PHE A 153 3.135 14.477 -2.090 1.00 0.62 C ATOM 984 CD2 PHE A 153 3.454 12.834 -0.335 1.00 0.52 C ATOM 985 CE1 PHE A 153 4.519 14.679 -2.153 1.00 0.73 C ATOM 986 CE2 PHE A 153 4.838 13.035 -0.399 1.00 0.61 C ATOM 987 CZ PHE A 153 5.370 13.958 -1.308 1.00 0.68 C ATOM 0 H PHE A 153 -1.133 13.898 -1.764 1.00 0.46 H new ATOM 0 HA PHE A 153 1.157 13.334 -3.296 1.00 0.46 H new ATOM 0 HB2 PHE A 153 0.612 14.264 -0.820 1.00 0.49 H new ATOM 0 HB3 PHE A 153 0.875 12.595 -0.353 1.00 0.49 H new ATOM 0 HD1 PHE A 153 2.478 15.032 -2.743 1.00 0.62 H new ATOM 0 HD2 PHE A 153 3.043 12.123 0.366 1.00 0.52 H new ATOM 0 HE1 PHE A 153 4.930 15.391 -2.854 1.00 0.73 H new ATOM 0 HE2 PHE A 153 5.495 12.478 0.253 1.00 0.61 H new ATOM 0 HZ PHE A 153 6.438 14.113 -1.357 1.00 0.68 H new ATOM 997 N LEU A 154 -0.020 10.604 -1.894 1.00 0.53 N ATOM 998 CA LEU A 154 0.081 9.121 -1.994 1.00 0.62 C ATOM 999 C LEU A 154 0.132 8.697 -3.463 1.00 0.65 C ATOM 1000 O LEU A 154 0.937 7.875 -3.854 1.00 0.83 O ATOM 1001 CB LEU A 154 -1.184 8.591 -1.320 1.00 0.75 C ATOM 1002 CG LEU A 154 -0.892 8.306 0.153 1.00 0.91 C ATOM 1003 CD1 LEU A 154 0.238 7.281 0.259 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -0.468 9.602 0.847 1.00 1.20 C ATOM 0 H LEU A 154 -0.717 10.948 -1.233 1.00 0.53 H new ATOM 0 HA LEU A 154 0.983 8.732 -1.521 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -1.989 9.320 -1.408 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -1.521 7.682 -1.818 1.00 0.75 H new ATOM 0 HG LEU A 154 -1.788 7.911 0.632 1.00 0.91 H new ATOM 0 HD11 LEU A 154 0.447 7.077 1.309 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -0.061 6.358 -0.237 1.00 1.65 H new ATOM 0 HD13 LEU A 154 1.134 7.677 -0.219 1.00 1.65 H new ATOM 0 HD21 LEU A 154 -0.259 9.401 1.898 1.00 1.20 H new ATOM 0 HD22 LEU A 154 0.429 9.995 0.368 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -1.271 10.335 0.771 1.00 1.20 H new ATOM 1016 N GLU A 155 -0.715 9.256 -4.283 1.00 0.69 N ATOM 1017 CA GLU A 155 -0.702 8.887 -5.726 1.00 0.81 C ATOM 1018 C GLU A 155 0.566 9.431 -6.386 1.00 0.76 C ATOM 1019 O GLU A 155 1.178 8.781 -7.211 1.00 0.90 O ATOM 1020 CB GLU A 155 -1.945 9.548 -6.324 1.00 0.97 C ATOM 1021 CG GLU A 155 -2.108 9.099 -7.778 1.00 1.41 C ATOM 1022 CD GLU A 155 -3.170 8.001 -7.857 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -3.937 7.876 -6.917 1.00 2.57 O ATOM 1024 OE2 GLU A 155 -3.197 7.302 -8.857 1.00 2.77 O ATOM 0 H GLU A 155 -1.413 9.950 -4.017 1.00 0.69 H new ATOM 0 HA GLU A 155 -0.710 7.808 -5.878 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -2.829 9.276 -5.746 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -1.853 10.633 -6.275 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -2.398 9.945 -8.401 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -1.158 8.729 -8.164 1.00 1.41 H new ATOM 1031 N PHE A 156 0.969 10.618 -6.022 1.00 0.66 N ATOM 1032 CA PHE A 156 2.202 11.201 -6.621 1.00 0.77 C ATOM 1033 C PHE A 156 3.373 10.232 -6.441 1.00 0.71 C ATOM 1034 O PHE A 156 4.204 10.077 -7.314 1.00 0.88 O ATOM 1035 CB PHE A 156 2.445 12.498 -5.847 1.00 0.84 C ATOM 1036 CG PHE A 156 3.857 12.977 -6.089 1.00 1.01 C ATOM 1037 CD1 PHE A 156 4.346 13.086 -7.396 1.00 1.09 C ATOM 1038 CD2 PHE A 156 4.675 13.316 -5.005 1.00 1.49 C ATOM 1039 CE1 PHE A 156 5.654 13.533 -7.620 1.00 1.31 C ATOM 1040 CE2 PHE A 156 5.983 13.763 -5.228 1.00 1.72 C ATOM 1041 CZ PHE A 156 6.472 13.871 -6.535 1.00 1.53 C ATOM 0 H PHE A 156 0.498 11.208 -5.336 1.00 0.66 H new ATOM 0 HA PHE A 156 2.102 11.385 -7.691 1.00 0.77 H new ATOM 0 HB2 PHE A 156 1.733 13.260 -6.163 1.00 0.84 H new ATOM 0 HB3 PHE A 156 2.284 12.333 -4.782 1.00 0.84 H new ATOM 0 HD1 PHE A 156 3.714 12.825 -8.232 1.00 1.09 H new ATOM 0 HD2 PHE A 156 4.297 13.233 -3.997 1.00 1.49 H new ATOM 0 HE1 PHE A 156 6.031 13.617 -8.628 1.00 1.31 H new ATOM 0 HE2 PHE A 156 6.614 14.024 -4.392 1.00 1.72 H new ATOM 0 HZ PHE A 156 7.481 14.215 -6.707 1.00 1.53 H new ATOM 1051 N MET A 157 3.440 9.572 -5.316 1.00 0.61 N ATOM 1052 CA MET A 157 4.552 8.606 -5.086 1.00 0.69 C ATOM 1053 C MET A 157 4.233 7.276 -5.772 1.00 0.83 C ATOM 1054 O MET A 157 5.113 6.576 -6.233 1.00 1.17 O ATOM 1055 CB MET A 157 4.620 8.431 -3.569 1.00 0.84 C ATOM 1056 CG MET A 157 4.666 9.805 -2.897 1.00 0.92 C ATOM 1057 SD MET A 157 5.960 10.812 -3.665 1.00 1.56 S ATOM 1058 CE MET A 157 7.371 9.795 -3.164 1.00 0.90 C ATOM 0 H MET A 157 2.774 9.660 -4.548 1.00 0.61 H new ATOM 0 HA MET A 157 5.501 8.956 -5.493 1.00 0.69 H new ATOM 0 HB2 MET A 157 3.753 7.872 -3.218 1.00 0.84 H new ATOM 0 HB3 MET A 157 5.503 7.853 -3.298 1.00 0.84 H new ATOM 0 HG2 MET A 157 3.700 10.301 -2.993 1.00 0.92 H new ATOM 0 HG3 MET A 157 4.862 9.693 -1.831 1.00 0.92 H new ATOM 0 HE1 MET A 157 8.211 10.440 -2.906 1.00 0.90 H new ATOM 0 HE2 MET A 157 7.096 9.193 -2.298 1.00 0.90 H new ATOM 0 HE3 MET A 157 7.657 9.139 -3.986 1.00 0.90 H new ATOM 1068 N LYS A 158 2.978 6.926 -5.850 1.00 0.86 N ATOM 1069 CA LYS A 158 2.602 5.646 -6.514 1.00 1.07 C ATOM 1070 C LYS A 158 2.673 5.811 -8.033 1.00 1.36 C ATOM 1071 O LYS A 158 2.895 4.865 -8.762 1.00 1.73 O ATOM 1072 CB LYS A 158 1.165 5.374 -6.070 1.00 1.28 C ATOM 1073 CG LYS A 158 0.952 3.866 -5.932 1.00 1.66 C ATOM 1074 CD LYS A 158 1.205 3.447 -4.483 1.00 2.24 C ATOM 1075 CE LYS A 158 1.659 1.986 -4.445 1.00 2.85 C ATOM 1076 NZ LYS A 158 3.132 2.036 -4.655 1.00 3.52 N ATOM 0 H LYS A 158 2.198 7.471 -5.483 1.00 0.86 H new ATOM 0 HA LYS A 158 3.269 4.826 -6.247 1.00 1.07 H new ATOM 0 HB2 LYS A 158 0.967 5.869 -5.119 1.00 1.28 H new ATOM 0 HB3 LYS A 158 0.464 5.786 -6.796 1.00 1.28 H new ATOM 0 HG2 LYS A 158 -0.064 3.603 -6.226 1.00 1.66 H new ATOM 0 HG3 LYS A 158 1.626 3.330 -6.600 1.00 1.66 H new ATOM 0 HD2 LYS A 158 1.966 4.087 -4.036 1.00 2.24 H new ATOM 0 HD3 LYS A 158 0.297 3.572 -3.893 1.00 2.24 H new ATOM 0 HE2 LYS A 158 1.412 1.520 -3.491 1.00 2.85 H new ATOM 0 HE3 LYS A 158 1.169 1.400 -5.222 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 3.493 1.073 -4.811 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 3.344 2.624 -5.486 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 3.589 2.445 -3.815 1.00 3.52 H new ATOM 1090 N GLY A 159 2.492 7.011 -8.514 1.00 1.73 N ATOM 1091 CA GLY A 159 2.556 7.243 -9.983 1.00 2.35 C ATOM 1092 C GLY A 159 4.020 7.270 -10.425 1.00 2.13 C ATOM 1093 O GLY A 159 4.345 6.960 -11.553 1.00 2.59 O ATOM 0 H GLY A 159 2.302 7.841 -7.952 1.00 1.73 H new ATOM 0 HA2 GLY A 159 2.019 6.455 -10.511 1.00 2.35 H new ATOM 0 HA3 GLY A 159 2.070 8.185 -10.236 1.00 2.35 H new ATOM 1097 N VAL A 160 4.906 7.635 -9.538 1.00 1.87 N ATOM 1098 CA VAL A 160 6.351 7.680 -9.901 1.00 1.87 C ATOM 1099 C VAL A 160 7.084 6.485 -9.286 1.00 2.39 C ATOM 1100 O VAL A 160 7.141 6.333 -8.082 1.00 3.11 O ATOM 1101 CB VAL A 160 6.870 8.989 -9.308 1.00 1.68 C ATOM 1102 CG1 VAL A 160 5.964 10.144 -9.740 1.00 1.89 C ATOM 1103 CG2 VAL A 160 6.877 8.890 -7.781 1.00 1.76 C ATOM 0 H VAL A 160 4.691 7.904 -8.578 1.00 1.87 H new ATOM 0 HA VAL A 160 6.508 7.632 -10.979 1.00 1.87 H new ATOM 0 HB VAL A 160 7.883 9.171 -9.666 1.00 1.68 H new ATOM 0 HG11 VAL A 160 6.336 11.077 -9.316 1.00 1.89 H new ATOM 0 HG12 VAL A 160 5.960 10.216 -10.828 1.00 1.89 H new ATOM 0 HG13 VAL A 160 4.950 9.963 -9.385 1.00 1.89 H new ATOM 0 HG21 VAL A 160 7.247 9.824 -7.358 1.00 1.76 H new ATOM 0 HG22 VAL A 160 5.864 8.706 -7.424 1.00 1.76 H new ATOM 0 HG23 VAL A 160 7.525 8.070 -7.473 1.00 1.76 H new ATOM 1113 N GLU A 161 7.644 5.635 -10.103 1.00 2.52 N ATOM 1114 CA GLU A 161 8.369 4.450 -9.562 1.00 3.28 C ATOM 1115 C GLU A 161 9.552 4.094 -10.466 1.00 3.90 C ATOM 1116 O GLU A 161 10.372 4.965 -10.706 1.00 4.34 O ATOM 1117 CB GLU A 161 7.334 3.324 -9.560 1.00 3.49 C ATOM 1118 CG GLU A 161 7.418 2.555 -8.241 1.00 4.11 C ATOM 1119 CD GLU A 161 8.717 1.748 -8.202 1.00 4.29 C ATOM 1120 OE1 GLU A 161 9.772 2.360 -8.213 1.00 4.56 O ATOM 1121 OE2 GLU A 161 8.634 0.531 -8.162 1.00 4.60 O ATOM 1122 OXT GLU A 161 9.618 2.956 -10.901 1.00 4.37 O ATOM 0 H GLU A 161 7.631 5.710 -11.120 1.00 2.52 H new ATOM 0 HA GLU A 161 8.777 4.632 -8.568 1.00 3.28 H new ATOM 0 HB2 GLU A 161 6.333 3.736 -9.690 1.00 3.49 H new ATOM 0 HB3 GLU A 161 7.513 2.650 -10.398 1.00 3.49 H new ATOM 0 HG2 GLU A 161 7.383 3.248 -7.401 1.00 4.11 H new ATOM 0 HG3 GLU A 161 6.561 1.889 -8.141 1.00 4.11 H new TER 1129 GLU A 161 HETATM 1130 CA CA A 162 3.709 24.926 -0.266 1.00 0.75 CA HETATM 1131 CA CA A 2 -4.460 18.732 -5.484 1.00 0.75 CA HETATM 1132 O1 KDH A 1 13.692 8.784 -9.896 1.00 2.83 O HETATM 1133 C3 KDH A 1 12.542 9.342 -9.425 1.00 2.40 C HETATM 1134 C6 KDH A 1 11.457 9.580 -10.338 1.00 3.09 C HETATM 1135 O7 KDH A 1 11.605 9.267 -11.662 1.00 4.04 O HETATM 1136 C9 KDH A 1 10.208 10.147 -9.877 1.00 2.99 C HETATM 1137 O10 KDH A 1 9.211 10.375 -10.780 1.00 3.91 O HETATM 1138 C12 KDH A 1 10.040 10.464 -8.477 1.00 2.07 C HETATM 1139 C14 KDH A 1 11.147 10.274 -7.561 1.00 1.26 C HETATM 1140 C15 KDH A 1 10.964 10.663 -6.223 1.00 0.94 C HETATM 1141 C20 KDH A 1 12.098 10.525 -3.984 1.00 2.17 C HETATM 1142 C21 KDH A 1 12.797 9.728 -3.006 1.00 3.11 C HETATM 1143 C24 KDH A 1 13.133 10.304 -1.733 1.00 3.89 C HETATM 1144 C26 KDH A 1 12.699 11.630 -1.384 1.00 3.84 C HETATM 1145 C29 KDH A 1 11.951 12.414 -2.345 1.00 3.01 C HETATM 1146 C31 KDH A 1 11.578 11.841 -3.617 1.00 2.10 C HETATM 1147 C33 KDH A 1 10.889 12.211 -6.032 1.00 0.94 C HETATM 1148 C36 KDH A 1 11.974 13.291 -7.864 1.00 1.65 C HETATM 1149 C38 KDH A 1 11.426 14.558 -8.050 1.00 1.49 C HETATM 1150 C39 KDH A 1 9.983 14.714 -8.057 1.00 1.87 C HETATM 1151 C41 KDH A 1 12.289 15.698 -8.237 1.00 2.05 C HETATM 1152 C01 KDH A 1 10.697 12.532 -4.516 1.00 1.46 C HETATM 1153 O01 KDH A 1 11.934 10.042 -5.278 1.00 1.58 O HETATM 1154 O02 KDH A 1 13.874 9.586 -0.840 1.00 4.80 O HETATM 1155 O03 KDH A 1 11.602 13.696 -2.043 1.00 3.24 O HETATM 1156 C4 KDH A 1 12.398 9.695 -8.032 1.00 1.50 C HETATM 1157 O35 KDH A 1 12.061 12.881 -6.560 1.00 1.29 O HETATM 1158 O37 KDH A 1 12.343 12.617 -8.832 1.00 2.52 O HETATM 1159 C43 KDH A 1 11.715 17.001 -8.459 1.00 2.26 C HETATM 1160 O44 KDH A 1 12.501 18.108 -8.647 1.00 3.22 O HETATM 1161 C46 KDH A 1 10.280 17.158 -8.485 1.00 2.00 C HETATM 1162 O47 KDH A 1 9.734 18.390 -8.689 1.00 2.49 O HETATM 1163 C49 KDH A 1 9.408 16.014 -8.296 1.00 2.11 C HETATM 1164 O50 KDH A 1 8.056 16.202 -8.349 1.00 3.03 O HETATM 0 HO50 KDH A 1 7.610 15.532 -7.790 1.00 3.03 H new HETATM 0 HO47 KDH A 1 9.805 18.920 -7.867 1.00 2.49 H new HETATM 0 HO44 KDH A 1 11.978 18.809 -9.089 1.00 3.22 H new HETATM 0 HO10 KDH A 1 8.546 10.978 -10.387 1.00 3.91 H new HETATM 0 HO03 KDH A 1 10.851 13.691 -1.414 1.00 3.24 H new HETATM 0 HO02 KDH A 1 14.015 10.118 -0.029 1.00 4.80 H new HETATM 0 H01A KDH A 1 9.669 12.296 -4.241 1.00 1.46 H new HETATM 0 HO7 KDH A 1 10.954 9.772 -12.192 1.00 4.04 H new HETATM 0 HO1 KDH A 1 13.613 8.637 -10.862 1.00 2.83 H new HETATM 0 H41 KDH A 1 13.372 15.575 -8.211 1.00 2.05 H new HETATM 0 H4 KDH A 1 13.221 9.529 -7.337 1.00 1.50 H new HETATM 0 H39 KDH A 1 9.338 13.853 -7.883 1.00 1.87 H new HETATM 0 H33 KDH A 1 10.035 12.588 -6.596 1.00 0.94 H new HETATM 0 H26 KDH A 1 12.932 12.042 -0.402 1.00 3.84 H new HETATM 0 H21 KDH A 1 13.068 8.697 -3.231 1.00 3.11 H new HETATM 0 H15 KDH A 1 9.984 10.265 -5.962 1.00 0.94 H new HETATM 0 H12 KDH A 1 9.086 10.844 -8.112 1.00 2.07 H new HETATM 0 H01 KDH A 1 10.828 13.604 -4.371 1.00 1.46 H new