USER MOD reduce.3.24.130724 H: found=0, std=0, add=1159, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1158 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 147 ASN : amide:sc= -1.08 K(o=-1.2,f=-4.3!) USER MOD Set 1.2: A 151 LYS NZ :NH3+ 169:sc= -0.133 (180deg=-0.277) USER MOD Set 2.1: A 138 GLN :FLIP amide:sc= -0.0238 X(o=0.61,f=0.69) USER MOD Set 2.2: A 142 ASN : amide:sc= 0.709 X(o=0.69,f=0.61) USER MOD Set 3.1: A 87 ASN : amide:sc= 0.0751 K(o=0.23,f=-3.3) USER MOD Set 3.2: A 92 LYS NZ :NH3+ 166:sc= 0.159 (180deg=0.125) USER MOD Set 4.1: A 36 LYS NZ :NH3+ 177:sc= 1.16 (180deg=0.826) USER MOD Set 4.2: A 91 HIS : no HE2:sc= -1.49 K(o=-0.33,f=-3.7) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc=-0.00573 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0686 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -20:sc= 0.965 USER MOD Single : A 27 GLN : amide:sc= 1.15 K(o=1.2,f=-0.36) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -142:sc= 0.884 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 73:sc= 0.905 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.0807) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 56 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0482) USER MOD Single : A 58 LYS NZ :NH3+ -123:sc= 0.669 (180deg=-1.88) USER MOD Single : A 64 SER OG : rot -46:sc= 0.0961 USER MOD Single : A 66 THR OG1 : rot -85:sc= 1.23 USER MOD Single : A 67 MET CE :methyl 166:sc= -0.0644 (180deg=-0.364) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.168 USER MOD Single : A 74 GLN : amide:sc= -0.0614 K(o=-0.061,f=-0.66) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 23:sc= 0.625 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.301 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot -59:sc= 0.108 USER MOD Single : A 101 SER OG : rot 180:sc=0.000924 USER MOD Single : A 112 GLN : amide:sc= 0.326 K(o=0.33,f=-0.3) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 CYS SG : rot 180:sc= 0 USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 TYR OH : rot 180:sc= -0.388 USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ -166:sc= -0.0895 (180deg=-0.416) USER MOD Single : A 139 THR OG1 : rot 73:sc= 0.534 USER MOD Single : A 141 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 144 LYS NZ :NH3+ -142:sc= -0.103 (180deg=-0.646) USER MOD Single : A 154 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 110 N ASP A 9 -23.870 -3.333 -7.977 1.00 40.14 N ATOM 111 CA ASP A 9 -23.450 -2.281 -8.931 1.00 61.52 C ATOM 112 C ASP A 9 -22.005 -1.811 -8.684 1.00 35.45 C ATOM 113 O ASP A 9 -21.629 -0.654 -8.891 1.00 41.34 O ATOM 114 CB ASP A 9 -24.494 -1.160 -8.979 1.00 51.44 C ATOM 115 CG ASP A 9 -24.201 -0.101 -10.049 1.00 75.52 C ATOM 116 OD1 ASP A 9 -24.001 -0.456 -11.232 1.00 60.54 O ATOM 117 OD2 ASP A 9 -24.185 1.108 -9.714 1.00 72.24 O ATOM 0 HA ASP A 9 -23.416 -2.705 -9.935 1.00 61.52 H new ATOM 0 HB2 ASP A 9 -25.475 -1.595 -9.168 1.00 51.44 H new ATOM 0 HB3 ASP A 9 -24.542 -0.676 -8.003 1.00 51.44 H new ATOM 122 N GLY A 10 -21.188 -2.748 -8.210 1.00 35.45 N ATOM 123 CA GLY A 10 -19.800 -2.560 -7.825 1.00 23.23 C ATOM 124 C GLY A 10 -19.700 -2.217 -6.339 1.00 22.32 C ATOM 125 O GLY A 10 -20.510 -1.466 -5.802 1.00 15.43 O ATOM 0 H GLY A 10 -21.498 -3.711 -8.079 1.00 35.45 H new ATOM 0 HA2 GLY A 10 -19.232 -3.467 -8.034 1.00 23.23 H new ATOM 0 HA3 GLY A 10 -19.356 -1.761 -8.420 1.00 23.23 H new ATOM 129 N GLU A 11 -18.704 -2.786 -5.659 1.00 75.22 N ATOM 130 CA GLU A 11 -18.554 -2.724 -4.212 1.00 21.21 C ATOM 131 C GLU A 11 -18.267 -1.291 -3.724 1.00 60.02 C ATOM 132 O GLU A 11 -17.799 -0.440 -4.491 1.00 54.51 O ATOM 133 CB GLU A 11 -17.459 -3.734 -3.818 1.00 55.24 C ATOM 134 CG GLU A 11 -17.668 -4.379 -2.446 1.00 72.02 C ATOM 135 CD GLU A 11 -17.233 -5.850 -2.453 1.00 31.35 C ATOM 136 OE1 GLU A 11 -17.945 -6.710 -3.017 1.00 31.33 O ATOM 137 OE2 GLU A 11 -16.175 -6.176 -1.868 1.00 23.05 O ATOM 0 H GLU A 11 -17.962 -3.316 -6.115 1.00 75.22 H new ATOM 0 HA GLU A 11 -19.486 -2.996 -3.717 1.00 21.21 H new ATOM 0 HB2 GLU A 11 -17.415 -4.519 -4.573 1.00 55.24 H new ATOM 0 HB3 GLU A 11 -16.493 -3.228 -3.827 1.00 55.24 H new ATOM 0 HG2 GLU A 11 -17.099 -3.832 -1.694 1.00 72.02 H new ATOM 0 HG3 GLU A 11 -18.719 -4.309 -2.164 1.00 72.02 H new ATOM 144 N ASP A 12 -18.543 -1.012 -2.446 1.00 53.42 N ATOM 145 CA ASP A 12 -18.361 0.320 -1.844 1.00 11.12 C ATOM 146 C ASP A 12 -16.904 0.565 -1.455 1.00 60.01 C ATOM 147 O ASP A 12 -16.174 -0.389 -1.171 1.00 14.25 O ATOM 148 CB ASP A 12 -19.194 0.496 -0.566 1.00 71.03 C ATOM 149 CG ASP A 12 -19.531 1.963 -0.342 1.00 33.02 C ATOM 150 OD1 ASP A 12 -20.552 2.440 -0.877 1.00 41.52 O ATOM 151 OD2 ASP A 12 -18.703 2.642 0.301 1.00 14.52 O ATOM 0 H ASP A 12 -18.902 -1.707 -1.792 1.00 53.42 H new ATOM 0 HA ASP A 12 -18.685 1.028 -2.607 1.00 11.12 H new ATOM 0 HB2 ASP A 12 -20.113 -0.086 -0.642 1.00 71.03 H new ATOM 0 HB3 ASP A 12 -18.641 0.110 0.290 1.00 71.03 H new ATOM 156 N PHE A 13 -16.516 1.836 -1.326 1.00 22.02 N ATOM 157 CA PHE A 13 -15.210 2.252 -0.833 1.00 71.01 C ATOM 158 C PHE A 13 -15.051 2.000 0.672 1.00 74.10 C ATOM 159 O PHE A 13 -13.948 1.710 1.137 1.00 2.51 O ATOM 160 CB PHE A 13 -14.971 3.732 -1.153 1.00 40.40 C ATOM 161 CG PHE A 13 -15.856 4.720 -0.416 1.00 51.44 C ATOM 162 CD1 PHE A 13 -15.458 5.233 0.834 1.00 33.41 C ATOM 163 CD2 PHE A 13 -17.080 5.129 -0.977 1.00 0.34 C ATOM 164 CE1 PHE A 13 -16.288 6.125 1.531 1.00 41.20 C ATOM 165 CE2 PHE A 13 -17.903 6.034 -0.284 1.00 42.10 C ATOM 166 CZ PHE A 13 -17.507 6.529 0.970 1.00 61.33 C ATOM 0 H PHE A 13 -17.120 2.621 -1.569 1.00 22.02 H new ATOM 0 HA PHE A 13 -14.461 1.646 -1.343 1.00 71.01 H new ATOM 0 HB2 PHE A 13 -13.931 3.969 -0.930 1.00 40.40 H new ATOM 0 HB3 PHE A 13 -15.109 3.879 -2.224 1.00 40.40 H new ATOM 0 HD1 PHE A 13 -14.509 4.939 1.258 1.00 33.41 H new ATOM 0 HD2 PHE A 13 -17.387 4.748 -1.940 1.00 0.34 H new ATOM 0 HE1 PHE A 13 -15.988 6.499 2.498 1.00 41.20 H new ATOM 0 HE2 PHE A 13 -18.841 6.349 -0.716 1.00 42.10 H new ATOM 0 HZ PHE A 13 -18.143 7.221 1.502 1.00 61.33 H new ATOM 176 N LYS A 14 -16.120 2.104 1.465 1.00 24.11 N ATOM 177 CA LYS A 14 -16.050 1.792 2.894 1.00 62.20 C ATOM 178 C LYS A 14 -16.144 0.283 3.087 1.00 0.12 C ATOM 179 O LYS A 14 -15.270 -0.290 3.736 1.00 40.22 O ATOM 180 CB LYS A 14 -17.109 2.577 3.686 1.00 32.34 C ATOM 181 CG LYS A 14 -16.925 2.498 5.217 1.00 15.43 C ATOM 182 CD LYS A 14 -15.571 3.061 5.694 1.00 74.31 C ATOM 183 CE LYS A 14 -15.407 3.163 7.220 1.00 14.42 C ATOM 184 NZ LYS A 14 -16.306 4.153 7.852 1.00 30.44 N ATOM 0 H LYS A 14 -17.041 2.401 1.143 1.00 24.11 H new ATOM 0 HA LYS A 14 -15.089 2.113 3.296 1.00 62.20 H new ATOM 0 HB2 LYS A 14 -17.078 3.622 3.379 1.00 32.34 H new ATOM 0 HB3 LYS A 14 -18.098 2.198 3.428 1.00 32.34 H new ATOM 0 HG2 LYS A 14 -17.731 3.048 5.703 1.00 15.43 H new ATOM 0 HG3 LYS A 14 -17.011 1.459 5.534 1.00 15.43 H new ATOM 0 HD2 LYS A 14 -14.774 2.430 5.300 1.00 74.31 H new ATOM 0 HD3 LYS A 14 -15.435 4.053 5.263 1.00 74.31 H new ATOM 0 HE2 LYS A 14 -15.592 2.184 7.662 1.00 14.42 H new ATOM 0 HE3 LYS A 14 -14.374 3.426 7.448 1.00 14.42 H new ATOM 0 HZ1 LYS A 14 -16.140 4.167 8.879 1.00 30.44 H new ATOM 0 HZ2 LYS A 14 -16.116 5.096 7.458 1.00 30.44 H new ATOM 0 HZ3 LYS A 14 -17.295 3.893 7.665 1.00 30.44 H new ATOM 198 N SER A 15 -17.122 -0.358 2.436 1.00 31.12 N ATOM 199 CA SER A 15 -17.355 -1.788 2.439 1.00 14.44 C ATOM 200 C SER A 15 -16.058 -2.571 2.248 1.00 21.11 C ATOM 201 O SER A 15 -15.797 -3.471 3.050 1.00 53.31 O ATOM 202 CB SER A 15 -18.362 -2.096 1.326 1.00 53.23 C ATOM 203 OG SER A 15 -19.699 -1.744 1.651 1.00 2.41 O ATOM 0 H SER A 15 -17.803 0.143 1.866 1.00 31.12 H new ATOM 0 HA SER A 15 -17.754 -2.097 3.405 1.00 14.44 H new ATOM 0 HB2 SER A 15 -18.065 -1.564 0.422 1.00 53.23 H new ATOM 0 HB3 SER A 15 -18.322 -3.161 1.096 1.00 53.23 H new ATOM 0 HG SER A 15 -20.287 -1.965 0.899 1.00 2.41 H new ATOM 209 N PHE A 16 -15.257 -2.294 1.210 1.00 22.24 N ATOM 210 CA PHE A 16 -14.025 -3.058 1.019 1.00 31.15 C ATOM 211 C PHE A 16 -12.959 -2.679 2.043 1.00 15.51 C ATOM 212 O PHE A 16 -12.273 -3.572 2.543 1.00 63.32 O ATOM 213 CB PHE A 16 -13.492 -2.978 -0.422 1.00 42.44 C ATOM 214 CG PHE A 16 -12.475 -1.884 -0.717 1.00 22.44 C ATOM 215 CD1 PHE A 16 -12.863 -0.537 -0.692 1.00 43.20 C ATOM 216 CD2 PHE A 16 -11.146 -2.208 -1.054 1.00 43.52 C ATOM 217 CE1 PHE A 16 -11.941 0.483 -0.981 1.00 22.12 C ATOM 218 CE2 PHE A 16 -10.237 -1.190 -1.398 1.00 41.23 C ATOM 219 CZ PHE A 16 -10.627 0.156 -1.336 1.00 51.53 C ATOM 0 H PHE A 16 -15.434 -1.571 0.513 1.00 22.24 H new ATOM 0 HA PHE A 16 -14.282 -4.103 1.190 1.00 31.15 H new ATOM 0 HB2 PHE A 16 -13.040 -3.938 -0.671 1.00 42.44 H new ATOM 0 HB3 PHE A 16 -14.341 -2.842 -1.092 1.00 42.44 H new ATOM 0 HD1 PHE A 16 -13.883 -0.280 -0.448 1.00 43.20 H new ATOM 0 HD2 PHE A 16 -10.824 -3.239 -1.048 1.00 43.52 H new ATOM 0 HE1 PHE A 16 -12.246 1.518 -0.929 1.00 22.12 H new ATOM 0 HE2 PHE A 16 -9.236 -1.446 -1.711 1.00 41.23 H new ATOM 0 HZ PHE A 16 -9.916 0.937 -1.561 1.00 51.53 H new ATOM 229 N LEU A 17 -12.779 -1.386 2.349 1.00 22.13 N ATOM 230 CA LEU A 17 -11.597 -0.969 3.100 1.00 31.01 C ATOM 231 C LEU A 17 -11.620 -1.526 4.523 1.00 3.23 C ATOM 232 O LEU A 17 -10.561 -1.792 5.082 1.00 0.55 O ATOM 233 CB LEU A 17 -11.422 0.554 3.097 1.00 60.30 C ATOM 234 CG LEU A 17 -9.978 0.920 3.520 1.00 24.35 C ATOM 235 CD1 LEU A 17 -9.286 1.749 2.440 1.00 41.43 C ATOM 236 CD2 LEU A 17 -9.925 1.658 4.859 1.00 61.03 C ATOM 0 H LEU A 17 -13.419 -0.634 2.095 1.00 22.13 H new ATOM 0 HA LEU A 17 -10.729 -1.389 2.592 1.00 31.01 H new ATOM 0 HB2 LEU A 17 -11.631 0.951 2.103 1.00 60.30 H new ATOM 0 HB3 LEU A 17 -12.137 1.012 3.780 1.00 60.30 H new ATOM 0 HG LEU A 17 -9.446 -0.023 3.646 1.00 24.35 H new ATOM 0 HD11 LEU A 17 -8.273 1.993 2.762 1.00 41.43 H new ATOM 0 HD12 LEU A 17 -9.244 1.177 1.513 1.00 41.43 H new ATOM 0 HD13 LEU A 17 -9.846 2.670 2.274 1.00 41.43 H new ATOM 0 HD21 LEU A 17 -8.889 1.890 5.106 1.00 61.03 H new ATOM 0 HD22 LEU A 17 -10.497 2.583 4.787 1.00 61.03 H new ATOM 0 HD23 LEU A 17 -10.352 1.028 5.639 1.00 61.03 H new ATOM 248 N ASP A 18 -12.808 -1.789 5.075 1.00 52.20 N ATOM 249 CA ASP A 18 -12.988 -2.461 6.364 1.00 60.02 C ATOM 250 C ASP A 18 -12.115 -3.720 6.464 1.00 43.30 C ATOM 251 O ASP A 18 -11.308 -3.845 7.381 1.00 71.30 O ATOM 252 CB ASP A 18 -14.477 -2.807 6.595 1.00 4.24 C ATOM 253 CG ASP A 18 -15.328 -1.669 7.173 1.00 35.02 C ATOM 254 OD1 ASP A 18 -14.766 -0.750 7.816 1.00 71.42 O ATOM 255 OD2 ASP A 18 -16.573 -1.739 7.016 1.00 23.01 O ATOM 0 H ASP A 18 -13.689 -1.535 4.629 1.00 52.20 H new ATOM 0 HA ASP A 18 -12.669 -1.773 7.147 1.00 60.02 H new ATOM 0 HB2 ASP A 18 -14.913 -3.120 5.646 1.00 4.24 H new ATOM 0 HB3 ASP A 18 -14.535 -3.662 7.269 1.00 4.24 H new ATOM 260 N LYS A 19 -12.203 -4.647 5.506 1.00 55.42 N ATOM 261 CA LYS A 19 -11.419 -5.888 5.522 1.00 44.44 C ATOM 262 C LYS A 19 -9.937 -5.684 5.201 1.00 14.34 C ATOM 263 O LYS A 19 -9.176 -6.652 5.190 1.00 35.35 O ATOM 264 CB LYS A 19 -12.031 -6.894 4.534 1.00 14.11 C ATOM 265 CG LYS A 19 -12.806 -8.035 5.218 1.00 24.05 C ATOM 266 CD LYS A 19 -12.297 -9.408 4.750 1.00 74.34 C ATOM 267 CE LYS A 19 -13.367 -10.477 4.952 1.00 62.04 C ATOM 268 NZ LYS A 19 -14.308 -10.528 3.814 1.00 2.11 N ATOM 0 H LYS A 19 -12.819 -4.560 4.698 1.00 55.42 H new ATOM 0 HA LYS A 19 -11.462 -6.271 6.542 1.00 44.44 H new ATOM 0 HB2 LYS A 19 -12.702 -6.364 3.858 1.00 14.11 H new ATOM 0 HB3 LYS A 19 -11.235 -7.321 3.924 1.00 14.11 H new ATOM 0 HG2 LYS A 19 -12.700 -7.954 6.300 1.00 24.05 H new ATOM 0 HG3 LYS A 19 -13.869 -7.942 4.994 1.00 24.05 H new ATOM 0 HD2 LYS A 19 -12.019 -9.359 3.697 1.00 74.34 H new ATOM 0 HD3 LYS A 19 -11.398 -9.677 5.305 1.00 74.34 H new ATOM 0 HE2 LYS A 19 -12.891 -11.450 5.075 1.00 62.04 H new ATOM 0 HE3 LYS A 19 -13.917 -10.273 5.871 1.00 62.04 H new ATOM 0 HZ1 LYS A 19 -15.021 -11.265 3.986 1.00 2.11 H new ATOM 0 HZ2 LYS A 19 -14.780 -9.607 3.712 1.00 2.11 H new ATOM 0 HZ3 LYS A 19 -13.786 -10.748 2.942 1.00 2.11 H new ATOM 282 N PHE A 20 -9.506 -4.479 4.860 1.00 20.02 N ATOM 283 CA PHE A 20 -8.102 -4.173 4.657 1.00 75.20 C ATOM 284 C PHE A 20 -7.532 -3.674 5.978 1.00 34.44 C ATOM 285 O PHE A 20 -6.564 -4.256 6.465 1.00 23.15 O ATOM 286 CB PHE A 20 -7.980 -3.235 3.454 1.00 33.43 C ATOM 287 CG PHE A 20 -6.664 -2.523 3.235 1.00 23.31 C ATOM 288 CD1 PHE A 20 -6.471 -1.261 3.816 1.00 34.34 C ATOM 289 CD2 PHE A 20 -5.685 -3.046 2.366 1.00 11.35 C ATOM 290 CE1 PHE A 20 -5.292 -0.544 3.575 1.00 32.21 C ATOM 291 CE2 PHE A 20 -4.504 -2.323 2.121 1.00 64.30 C ATOM 292 CZ PHE A 20 -4.299 -1.077 2.737 1.00 51.43 C ATOM 0 H PHE A 20 -10.126 -3.682 4.716 1.00 20.02 H new ATOM 0 HA PHE A 20 -7.493 -5.038 4.395 1.00 75.20 H new ATOM 0 HB2 PHE A 20 -8.199 -3.814 2.557 1.00 33.43 H new ATOM 0 HB3 PHE A 20 -8.758 -2.477 3.542 1.00 33.43 H new ATOM 0 HD1 PHE A 20 -7.235 -0.840 4.452 1.00 34.34 H new ATOM 0 HD2 PHE A 20 -5.842 -4.002 1.888 1.00 11.35 H new ATOM 0 HE1 PHE A 20 -5.146 0.422 4.035 1.00 32.21 H new ATOM 0 HE2 PHE A 20 -3.753 -2.726 1.458 1.00 64.30 H new ATOM 0 HZ PHE A 20 -3.382 -0.532 2.567 1.00 51.43 H new ATOM 302 N THR A 21 -8.147 -2.681 6.618 1.00 31.43 N ATOM 303 CA THR A 21 -7.651 -2.199 7.903 1.00 54.50 C ATOM 304 C THR A 21 -7.931 -3.169 9.065 1.00 3.53 C ATOM 305 O THR A 21 -7.273 -3.072 10.101 1.00 42.21 O ATOM 306 CB THR A 21 -8.217 -0.800 8.171 1.00 23.42 C ATOM 307 OG1 THR A 21 -9.558 -0.676 7.743 1.00 74.40 O ATOM 308 CG2 THR A 21 -7.392 0.243 7.422 1.00 72.10 C ATOM 0 H THR A 21 -8.978 -2.201 6.273 1.00 31.43 H new ATOM 0 HA THR A 21 -6.564 -2.141 7.843 1.00 54.50 H new ATOM 0 HB THR A 21 -8.173 -0.642 9.249 1.00 23.42 H new ATOM 0 HG1 THR A 21 -9.880 0.230 7.934 1.00 74.40 H new ATOM 0 HG21 THR A 21 -7.798 1.236 7.616 1.00 72.10 H new ATOM 0 HG22 THR A 21 -6.357 0.202 7.762 1.00 72.10 H new ATOM 0 HG23 THR A 21 -7.430 0.038 6.352 1.00 72.10 H new ATOM 316 N SER A 22 -8.841 -4.135 8.897 1.00 63.02 N ATOM 317 CA SER A 22 -9.298 -5.051 9.938 1.00 32.25 C ATOM 318 C SER A 22 -8.980 -6.513 9.581 1.00 45.41 C ATOM 319 O SER A 22 -9.730 -7.417 9.970 1.00 44.21 O ATOM 320 CB SER A 22 -10.799 -4.797 10.149 1.00 11.33 C ATOM 321 OG SER A 22 -11.299 -5.133 11.436 1.00 51.43 O ATOM 0 H SER A 22 -9.293 -4.303 7.998 1.00 63.02 H new ATOM 0 HA SER A 22 -8.769 -4.868 10.873 1.00 32.25 H new ATOM 0 HB2 SER A 22 -11.001 -3.742 9.963 1.00 11.33 H new ATOM 0 HB3 SER A 22 -11.355 -5.364 9.402 1.00 11.33 H new ATOM 0 HG SER A 22 -12.258 -4.936 11.476 1.00 51.43 H new ATOM 327 N SER A 23 -7.944 -6.785 8.776 1.00 30.01 N ATOM 328 CA SER A 23 -7.481 -8.150 8.545 1.00 52.12 C ATOM 329 C SER A 23 -6.017 -8.176 8.099 1.00 4.12 C ATOM 330 O SER A 23 -5.659 -7.557 7.093 1.00 22.32 O ATOM 331 CB SER A 23 -8.313 -8.825 7.453 1.00 22.13 C ATOM 332 OG SER A 23 -9.713 -8.749 7.631 1.00 41.52 O ATOM 0 H SER A 23 -7.413 -6.072 8.275 1.00 30.01 H new ATOM 0 HA SER A 23 -7.588 -8.682 9.490 1.00 52.12 H new ATOM 0 HB2 SER A 23 -8.060 -8.373 6.494 1.00 22.13 H new ATOM 0 HB3 SER A 23 -8.026 -9.875 7.397 1.00 22.13 H new ATOM 0 HG SER A 23 -9.914 -8.564 8.572 1.00 41.52 H new ATOM 338 N ALA A 24 -5.186 -8.978 8.766 1.00 5.52 N ATOM 339 CA ALA A 24 -3.764 -9.120 8.472 1.00 43.13 C ATOM 340 C ALA A 24 -3.440 -10.380 7.656 1.00 60.14 C ATOM 341 O ALA A 24 -2.371 -10.448 7.044 1.00 2.14 O ATOM 342 CB ALA A 24 -3.018 -9.116 9.803 1.00 65.04 C ATOM 0 H ALA A 24 -5.493 -9.560 9.545 1.00 5.52 H new ATOM 0 HA ALA A 24 -3.446 -8.287 7.845 1.00 43.13 H new ATOM 0 HB1 ALA A 24 -1.948 -9.221 9.621 1.00 65.04 H new ATOM 0 HB2 ALA A 24 -3.207 -8.177 10.323 1.00 65.04 H new ATOM 0 HB3 ALA A 24 -3.365 -9.947 10.417 1.00 65.04 H new ATOM 348 N ALA A 25 -4.349 -11.352 7.532 1.00 75.14 N ATOM 349 CA ALA A 25 -4.186 -12.507 6.643 1.00 54.14 C ATOM 350 C ALA A 25 -5.039 -12.394 5.375 1.00 63.22 C ATOM 351 O ALA A 25 -4.946 -13.256 4.490 1.00 71.23 O ATOM 352 CB ALA A 25 -4.535 -13.792 7.394 1.00 44.33 C ATOM 0 H ALA A 25 -5.227 -11.359 8.051 1.00 75.14 H new ATOM 0 HA ALA A 25 -3.143 -12.531 6.329 1.00 54.14 H new ATOM 0 HB1 ALA A 25 -4.412 -14.647 6.729 1.00 44.33 H new ATOM 0 HB2 ALA A 25 -3.873 -13.903 8.253 1.00 44.33 H new ATOM 0 HB3 ALA A 25 -5.569 -13.744 7.736 1.00 44.33 H new ATOM 358 N PHE A 26 -5.891 -11.374 5.275 1.00 71.34 N ATOM 359 CA PHE A 26 -6.901 -11.259 4.225 1.00 3.42 C ATOM 360 C PHE A 26 -6.502 -10.233 3.161 1.00 55.12 C ATOM 361 O PHE A 26 -6.987 -10.314 2.040 1.00 55.22 O ATOM 362 CB PHE A 26 -8.254 -10.935 4.876 1.00 43.31 C ATOM 363 CG PHE A 26 -9.450 -11.688 4.336 1.00 15.22 C ATOM 364 CD1 PHE A 26 -9.923 -11.452 3.035 1.00 72.44 C ATOM 365 CD2 PHE A 26 -10.128 -12.602 5.167 1.00 63.11 C ATOM 366 CE1 PHE A 26 -11.032 -12.165 2.549 1.00 72.31 C ATOM 367 CE2 PHE A 26 -11.246 -13.301 4.687 1.00 12.25 C ATOM 368 CZ PHE A 26 -11.689 -13.098 3.370 1.00 12.14 C ATOM 0 H PHE A 26 -5.898 -10.593 5.931 1.00 71.34 H new ATOM 0 HA PHE A 26 -6.985 -12.208 3.696 1.00 3.42 H new ATOM 0 HB2 PHE A 26 -8.177 -11.135 5.945 1.00 43.31 H new ATOM 0 HB3 PHE A 26 -8.442 -9.867 4.764 1.00 43.31 H new ATOM 0 HD1 PHE A 26 -9.434 -10.722 2.407 1.00 72.44 H new ATOM 0 HD2 PHE A 26 -9.786 -12.765 6.178 1.00 63.11 H new ATOM 0 HE1 PHE A 26 -11.381 -11.996 1.541 1.00 72.31 H new ATOM 0 HE2 PHE A 26 -11.766 -13.995 5.331 1.00 12.25 H new ATOM 0 HZ PHE A 26 -12.531 -13.657 2.989 1.00 12.14 H new ATOM 378 N GLN A 27 -5.571 -9.315 3.436 1.00 20.31 N ATOM 379 CA GLN A 27 -5.092 -8.369 2.429 1.00 64.40 C ATOM 380 C GLN A 27 -4.431 -9.087 1.236 1.00 75.43 C ATOM 381 O GLN A 27 -4.448 -8.566 0.124 1.00 52.44 O ATOM 382 CB GLN A 27 -4.168 -7.326 3.076 1.00 52.30 C ATOM 383 CG GLN A 27 -4.920 -6.326 3.970 1.00 52.50 C ATOM 384 CD GLN A 27 -3.960 -5.325 4.619 1.00 23.22 C ATOM 385 OE1 GLN A 27 -3.277 -4.579 3.922 1.00 11.11 O ATOM 386 NE2 GLN A 27 -3.858 -5.314 5.934 1.00 20.45 N ATOM 0 H GLN A 27 -5.134 -9.208 4.351 1.00 20.31 H new ATOM 0 HA GLN A 27 -5.951 -7.839 2.018 1.00 64.40 H new ATOM 0 HB2 GLN A 27 -3.412 -7.838 3.671 1.00 52.30 H new ATOM 0 HB3 GLN A 27 -3.642 -6.780 2.293 1.00 52.30 H new ATOM 0 HG2 GLN A 27 -5.660 -5.790 3.376 1.00 52.50 H new ATOM 0 HG3 GLN A 27 -5.464 -6.866 4.745 1.00 52.50 H new ATOM 0 HE21 GLN A 27 -4.434 -5.941 6.495 1.00 20.45 H new ATOM 0 HE22 GLN A 27 -3.203 -4.678 6.389 1.00 20.45 H new ATOM 395 N TYR A 28 -3.950 -10.323 1.408 1.00 31.45 N ATOM 396 CA TYR A 28 -3.467 -11.154 0.302 1.00 13.44 C ATOM 397 C TYR A 28 -4.540 -11.496 -0.748 1.00 34.11 C ATOM 398 O TYR A 28 -4.165 -11.985 -1.817 1.00 14.14 O ATOM 399 CB TYR A 28 -2.882 -12.477 0.819 1.00 64.30 C ATOM 400 CG TYR A 28 -1.649 -12.355 1.688 1.00 42.12 C ATOM 401 CD1 TYR A 28 -0.379 -12.261 1.087 1.00 13.51 C ATOM 402 CD2 TYR A 28 -1.768 -12.357 3.092 1.00 71.42 C ATOM 403 CE1 TYR A 28 0.764 -12.164 1.897 1.00 51.52 C ATOM 404 CE2 TYR A 28 -0.629 -12.227 3.907 1.00 4.52 C ATOM 405 CZ TYR A 28 0.645 -12.135 3.305 1.00 13.12 C ATOM 406 OH TYR A 28 1.751 -12.002 4.082 1.00 72.02 O ATOM 0 H TYR A 28 -3.885 -10.775 2.320 1.00 31.45 H new ATOM 0 HA TYR A 28 -2.704 -10.544 -0.182 1.00 13.44 H new ATOM 0 HB2 TYR A 28 -3.654 -12.997 1.387 1.00 64.30 H new ATOM 0 HB3 TYR A 28 -2.639 -13.105 -0.038 1.00 64.30 H new ATOM 0 HD1 TYR A 28 -0.285 -12.263 0.011 1.00 13.51 H new ATOM 0 HD2 TYR A 28 -2.742 -12.459 3.546 1.00 71.42 H new ATOM 0 HE1 TYR A 28 1.741 -12.111 1.441 1.00 51.52 H new ATOM 0 HE2 TYR A 28 -0.728 -12.198 4.982 1.00 4.52 H new ATOM 0 HH TYR A 28 1.489 -12.000 5.026 1.00 72.02 H new ATOM 416 N THR A 29 -5.846 -11.318 -0.506 1.00 20.14 N ATOM 417 CA THR A 29 -6.902 -11.834 -1.391 1.00 1.44 C ATOM 418 C THR A 29 -7.468 -10.753 -2.329 1.00 4.31 C ATOM 419 O THR A 29 -8.535 -10.944 -2.915 1.00 73.33 O ATOM 420 CB THR A 29 -8.007 -12.529 -0.567 1.00 64.13 C ATOM 421 OG1 THR A 29 -8.779 -11.578 0.124 1.00 63.41 O ATOM 422 CG2 THR A 29 -7.468 -13.540 0.456 1.00 0.54 C ATOM 0 H THR A 29 -6.201 -10.814 0.307 1.00 20.14 H new ATOM 0 HA THR A 29 -6.449 -12.581 -2.043 1.00 1.44 H new ATOM 0 HB THR A 29 -8.610 -13.074 -1.293 1.00 64.13 H new ATOM 0 HG1 THR A 29 -9.014 -11.928 1.009 1.00 63.41 H new ATOM 0 HG21 THR A 29 -8.301 -13.989 0.998 1.00 0.54 H new ATOM 0 HG22 THR A 29 -6.910 -14.320 -0.062 1.00 0.54 H new ATOM 0 HG23 THR A 29 -6.810 -13.030 1.160 1.00 0.54 H new ATOM 430 N ARG A 30 -6.804 -9.599 -2.465 1.00 4.34 N ATOM 431 CA ARG A 30 -7.334 -8.421 -3.153 1.00 12.51 C ATOM 432 C ARG A 30 -6.267 -7.760 -4.005 1.00 15.33 C ATOM 433 O ARG A 30 -6.238 -6.544 -4.079 1.00 75.33 O ATOM 434 CB ARG A 30 -7.947 -7.460 -2.119 1.00 43.31 C ATOM 435 CG ARG A 30 -6.990 -6.977 -1.015 1.00 52.51 C ATOM 436 CD ARG A 30 -7.621 -5.912 -0.103 1.00 34.33 C ATOM 437 NE ARG A 30 -7.977 -6.461 1.218 1.00 31.24 N ATOM 438 CZ ARG A 30 -9.002 -7.284 1.475 1.00 63.10 C ATOM 439 NH1 ARG A 30 -9.897 -7.593 0.546 1.00 62.43 N ATOM 440 NH2 ARG A 30 -9.126 -7.830 2.679 1.00 4.23 N ATOM 0 H ARG A 30 -5.865 -9.458 -2.092 1.00 4.34 H new ATOM 0 HA ARG A 30 -8.124 -8.723 -3.840 1.00 12.51 H new ATOM 0 HB2 ARG A 30 -8.336 -6.588 -2.645 1.00 43.31 H new ATOM 0 HB3 ARG A 30 -8.797 -7.954 -1.648 1.00 43.31 H new ATOM 0 HG2 ARG A 30 -6.681 -7.829 -0.410 1.00 52.51 H new ATOM 0 HG3 ARG A 30 -6.090 -6.568 -1.474 1.00 52.51 H new ATOM 0 HD2 ARG A 30 -6.924 -5.084 0.024 1.00 34.33 H new ATOM 0 HD3 ARG A 30 -8.513 -5.508 -0.581 1.00 34.33 H new ATOM 0 HE ARG A 30 -7.390 -6.190 2.007 1.00 31.24 H new ATOM 0 HH11 ARG A 30 -9.815 -7.201 -0.392 1.00 62.43 H new ATOM 0 HH12 ARG A 30 -10.668 -8.223 0.770 1.00 62.43 H new ATOM 0 HH21 ARG A 30 -8.441 -7.622 3.406 1.00 4.23 H new ATOM 0 HH22 ARG A 30 -9.906 -8.457 2.877 1.00 4.23 H new ATOM 454 N VAL A 31 -5.348 -8.505 -4.601 1.00 74.12 N ATOM 455 CA VAL A 31 -4.127 -7.943 -5.158 1.00 42.43 C ATOM 456 C VAL A 31 -4.095 -8.251 -6.650 1.00 43.00 C ATOM 457 O VAL A 31 -4.270 -9.401 -7.059 1.00 20.22 O ATOM 458 CB VAL A 31 -2.913 -8.507 -4.406 1.00 74.44 C ATOM 459 CG1 VAL A 31 -1.675 -7.651 -4.669 1.00 31.44 C ATOM 460 CG2 VAL A 31 -3.122 -8.603 -2.885 1.00 55.50 C ATOM 0 H VAL A 31 -5.428 -9.516 -4.712 1.00 74.12 H new ATOM 0 HA VAL A 31 -4.096 -6.860 -5.037 1.00 42.43 H new ATOM 0 HB VAL A 31 -2.777 -9.519 -4.788 1.00 74.44 H new ATOM 0 HG11 VAL A 31 -0.824 -8.066 -4.128 1.00 31.44 H new ATOM 0 HG12 VAL A 31 -1.458 -7.644 -5.737 1.00 31.44 H new ATOM 0 HG13 VAL A 31 -1.859 -6.632 -4.330 1.00 31.44 H new ATOM 0 HG21 VAL A 31 -2.224 -9.010 -2.419 1.00 55.50 H new ATOM 0 HG22 VAL A 31 -3.322 -7.610 -2.482 1.00 55.50 H new ATOM 0 HG23 VAL A 31 -3.968 -9.257 -2.675 1.00 55.50 H new ATOM 470 N LYS A 32 -3.951 -7.215 -7.471 1.00 12.43 N ATOM 471 CA LYS A 32 -3.670 -7.359 -8.900 1.00 55.21 C ATOM 472 C LYS A 32 -2.194 -7.688 -9.071 1.00 55.02 C ATOM 473 O LYS A 32 -1.401 -7.426 -8.166 1.00 71.51 O ATOM 474 CB LYS A 32 -4.018 -6.058 -9.631 1.00 15.05 C ATOM 475 CG LYS A 32 -5.533 -5.968 -9.849 1.00 44.32 C ATOM 476 CD LYS A 32 -6.063 -7.065 -10.786 1.00 4.13 C ATOM 477 CE LYS A 32 -6.791 -8.241 -10.107 1.00 40.44 C ATOM 478 NZ LYS A 32 -7.162 -9.303 -11.067 1.00 75.21 N ATOM 0 H LYS A 32 -4.026 -6.245 -7.164 1.00 12.43 H new ATOM 0 HA LYS A 32 -4.274 -8.161 -9.324 1.00 55.21 H new ATOM 0 HB2 LYS A 32 -3.674 -5.202 -9.050 1.00 15.05 H new ATOM 0 HB3 LYS A 32 -3.501 -6.021 -10.590 1.00 15.05 H new ATOM 0 HG2 LYS A 32 -6.040 -6.042 -8.887 1.00 44.32 H new ATOM 0 HG3 LYS A 32 -5.779 -4.991 -10.265 1.00 44.32 H new ATOM 0 HD2 LYS A 32 -6.745 -6.606 -11.501 1.00 4.13 H new ATOM 0 HD3 LYS A 32 -5.224 -7.464 -11.357 1.00 4.13 H new ATOM 0 HE2 LYS A 32 -6.151 -8.663 -9.332 1.00 40.44 H new ATOM 0 HE3 LYS A 32 -7.689 -7.872 -9.612 1.00 40.44 H new ATOM 0 HZ1 LYS A 32 -7.649 -10.072 -10.563 1.00 75.21 H new ATOM 0 HZ2 LYS A 32 -7.795 -8.909 -11.793 1.00 75.21 H new ATOM 0 HZ3 LYS A 32 -6.304 -9.676 -11.521 1.00 75.21 H new ATOM 492 N PHE A 33 -1.805 -8.225 -10.224 1.00 61.31 N ATOM 493 CA PHE A 33 -0.395 -8.234 -10.591 1.00 51.41 C ATOM 494 C PHE A 33 -0.226 -8.208 -12.118 1.00 14.44 C ATOM 495 O PHE A 33 -0.929 -8.979 -12.779 1.00 24.42 O ATOM 496 CB PHE A 33 0.322 -9.434 -9.953 1.00 4.32 C ATOM 497 CG PHE A 33 1.801 -9.161 -9.860 1.00 43.31 C ATOM 498 CD1 PHE A 33 2.250 -8.128 -9.011 1.00 75.32 C ATOM 499 CD2 PHE A 33 2.691 -9.777 -10.761 1.00 15.35 C ATOM 500 CE1 PHE A 33 3.566 -7.665 -9.129 1.00 35.54 C ATOM 501 CE2 PHE A 33 4.021 -9.333 -10.839 1.00 72.11 C ATOM 502 CZ PHE A 33 4.458 -8.272 -10.029 1.00 3.34 C ATOM 0 H PHE A 33 -2.432 -8.651 -10.907 1.00 61.31 H new ATOM 0 HA PHE A 33 0.072 -7.329 -10.201 1.00 51.41 H new ATOM 0 HB2 PHE A 33 -0.084 -9.625 -8.960 1.00 4.32 H new ATOM 0 HB3 PHE A 33 0.146 -10.331 -10.547 1.00 4.32 H new ATOM 0 HD1 PHE A 33 1.585 -7.698 -8.277 1.00 75.32 H new ATOM 0 HD2 PHE A 33 2.352 -10.587 -11.389 1.00 15.35 H new ATOM 0 HE1 PHE A 33 3.898 -6.835 -8.523 1.00 35.54 H new ATOM 0 HE2 PHE A 33 4.709 -9.808 -11.523 1.00 72.11 H new ATOM 0 HZ PHE A 33 5.478 -7.923 -10.098 1.00 3.34 H new ATOM 512 N PRO A 34 0.696 -7.410 -12.702 1.00 40.43 N ATOM 513 CA PRO A 34 1.662 -6.511 -12.055 1.00 31.21 C ATOM 514 C PRO A 34 0.999 -5.366 -11.283 1.00 51.10 C ATOM 515 O PRO A 34 -0.207 -5.148 -11.419 1.00 33.42 O ATOM 516 CB PRO A 34 2.572 -5.993 -13.176 1.00 55.03 C ATOM 517 CG PRO A 34 1.697 -6.094 -14.420 1.00 71.10 C ATOM 518 CD PRO A 34 0.871 -7.345 -14.146 1.00 11.23 C ATOM 0 HA PRO A 34 2.228 -7.050 -11.295 1.00 31.21 H new ATOM 0 HB2 PRO A 34 2.891 -4.967 -12.992 1.00 55.03 H new ATOM 0 HB3 PRO A 34 3.475 -6.596 -13.271 1.00 55.03 H new ATOM 0 HG2 PRO A 34 1.068 -5.213 -14.546 1.00 71.10 H new ATOM 0 HG3 PRO A 34 2.293 -6.192 -15.327 1.00 71.10 H new ATOM 0 HD2 PRO A 34 -0.093 -7.293 -14.653 1.00 11.23 H new ATOM 0 HD3 PRO A 34 1.379 -8.235 -14.517 1.00 11.23 H new ATOM 526 N LEU A 35 1.780 -4.670 -10.454 1.00 75.44 N ATOM 527 CA LEU A 35 1.395 -3.409 -9.830 1.00 75.13 C ATOM 528 C LEU A 35 2.063 -2.267 -10.589 1.00 13.45 C ATOM 529 O LEU A 35 2.974 -2.487 -11.393 1.00 62.10 O ATOM 530 CB LEU A 35 1.832 -3.358 -8.357 1.00 52.21 C ATOM 531 CG LEU A 35 1.196 -4.394 -7.415 1.00 41.03 C ATOM 532 CD1 LEU A 35 1.835 -4.199 -6.050 1.00 23.44 C ATOM 533 CD2 LEU A 35 -0.321 -4.353 -7.248 1.00 52.03 C ATOM 0 H LEU A 35 2.717 -4.977 -10.194 1.00 75.44 H new ATOM 0 HA LEU A 35 0.309 -3.318 -9.866 1.00 75.13 H new ATOM 0 HB2 LEU A 35 2.914 -3.481 -8.318 1.00 52.21 H new ATOM 0 HB3 LEU A 35 1.610 -2.364 -7.970 1.00 52.21 H new ATOM 0 HG LEU A 35 1.383 -5.363 -7.877 1.00 41.03 H new ATOM 0 HD11 LEU A 35 1.413 -4.915 -5.345 1.00 23.44 H new ATOM 0 HD12 LEU A 35 2.911 -4.356 -6.126 1.00 23.44 H new ATOM 0 HD13 LEU A 35 1.640 -3.186 -5.698 1.00 23.44 H new ATOM 0 HD21 LEU A 35 -0.632 -5.137 -6.558 1.00 52.03 H new ATOM 0 HD22 LEU A 35 -0.617 -3.382 -6.852 1.00 52.03 H new ATOM 0 HD23 LEU A 35 -0.798 -4.511 -8.215 1.00 52.03 H new ATOM 545 N LYS A 36 1.658 -1.041 -10.266 1.00 75.14 N ATOM 546 CA LYS A 36 2.094 0.169 -10.977 1.00 52.41 C ATOM 547 C LYS A 36 3.303 0.840 -10.308 1.00 72.24 C ATOM 548 O LYS A 36 4.132 1.404 -11.018 1.00 51.32 O ATOM 549 CB LYS A 36 0.916 1.116 -11.290 1.00 73.51 C ATOM 550 CG LYS A 36 -0.291 0.940 -10.361 1.00 52.04 C ATOM 551 CD LYS A 36 -1.411 1.949 -10.593 1.00 72.40 C ATOM 552 CE LYS A 36 -2.676 1.315 -11.185 1.00 34.43 C ATOM 553 NZ LYS A 36 -3.755 2.318 -11.325 1.00 53.13 N ATOM 0 H LYS A 36 1.013 -0.853 -9.498 1.00 75.14 H new ATOM 0 HA LYS A 36 2.466 -0.140 -11.954 1.00 52.41 H new ATOM 0 HB2 LYS A 36 1.265 2.147 -11.224 1.00 73.51 H new ATOM 0 HB3 LYS A 36 0.596 0.953 -12.319 1.00 73.51 H new ATOM 0 HG2 LYS A 36 -0.691 -0.066 -10.490 1.00 52.04 H new ATOM 0 HG3 LYS A 36 0.046 1.019 -9.327 1.00 52.04 H new ATOM 0 HD2 LYS A 36 -1.661 2.430 -9.647 1.00 72.40 H new ATOM 0 HD3 LYS A 36 -1.055 2.731 -11.264 1.00 72.40 H new ATOM 0 HE2 LYS A 36 -2.449 0.882 -12.159 1.00 34.43 H new ATOM 0 HE3 LYS A 36 -3.013 0.500 -10.544 1.00 34.43 H new ATOM 0 HZ1 LYS A 36 -4.583 1.877 -11.774 1.00 53.13 H new ATOM 0 HZ2 LYS A 36 -4.021 2.676 -10.385 1.00 53.13 H new ATOM 0 HZ3 LYS A 36 -3.421 3.107 -11.914 1.00 53.13 H new ATOM 567 N THR A 37 3.488 0.685 -9.000 1.00 44.34 N ATOM 568 CA THR A 37 4.655 1.105 -8.222 1.00 11.34 C ATOM 569 C THR A 37 5.410 -0.151 -7.762 1.00 33.52 C ATOM 570 O THR A 37 5.014 -0.767 -6.765 1.00 21.52 O ATOM 571 CB THR A 37 4.287 2.057 -7.073 1.00 74.55 C ATOM 572 OG1 THR A 37 3.418 3.055 -7.574 1.00 24.30 O ATOM 573 CG2 THR A 37 5.520 2.724 -6.465 1.00 13.13 C ATOM 0 H THR A 37 2.784 0.234 -8.416 1.00 44.34 H new ATOM 0 HA THR A 37 5.320 1.697 -8.851 1.00 11.34 H new ATOM 0 HB THR A 37 3.805 1.474 -6.288 1.00 74.55 H new ATOM 0 HG1 THR A 37 2.532 2.667 -7.734 1.00 24.30 H new ATOM 0 HG21 THR A 37 5.213 3.388 -5.657 1.00 13.13 H new ATOM 0 HG22 THR A 37 6.190 1.960 -6.072 1.00 13.13 H new ATOM 0 HG23 THR A 37 6.037 3.301 -7.232 1.00 13.13 H new ATOM 581 N PRO A 38 6.346 -0.679 -8.573 1.00 34.42 N ATOM 582 CA PRO A 38 7.116 -1.876 -8.245 1.00 51.04 C ATOM 583 C PRO A 38 8.045 -1.654 -7.034 1.00 61.34 C ATOM 584 O PRO A 38 7.920 -0.683 -6.287 1.00 13.12 O ATOM 585 CB PRO A 38 7.877 -2.197 -9.539 1.00 62.14 C ATOM 586 CG PRO A 38 8.142 -0.822 -10.138 1.00 40.12 C ATOM 587 CD PRO A 38 6.870 -0.060 -9.786 1.00 44.21 C ATOM 0 HA PRO A 38 6.486 -2.709 -7.933 1.00 51.04 H new ATOM 0 HB2 PRO A 38 8.804 -2.734 -9.338 1.00 62.14 H new ATOM 0 HB3 PRO A 38 7.286 -2.821 -10.209 1.00 62.14 H new ATOM 0 HG2 PRO A 38 9.028 -0.355 -9.707 1.00 40.12 H new ATOM 0 HG3 PRO A 38 8.300 -0.872 -11.215 1.00 40.12 H new ATOM 0 HD2 PRO A 38 7.082 0.997 -9.623 1.00 44.21 H new ATOM 0 HD3 PRO A 38 6.144 -0.118 -10.597 1.00 44.21 H new ATOM 595 N ILE A 39 8.959 -2.602 -6.801 1.00 15.44 N ATOM 596 CA ILE A 39 10.158 -2.342 -6.007 1.00 0.42 C ATOM 597 C ILE A 39 11.147 -1.705 -6.972 1.00 55.33 C ATOM 598 O ILE A 39 11.265 -2.197 -8.101 1.00 55.14 O ATOM 599 CB ILE A 39 10.758 -3.655 -5.462 1.00 72.24 C ATOM 600 CG1 ILE A 39 9.721 -4.465 -4.664 1.00 71.21 C ATOM 601 CG2 ILE A 39 12.014 -3.425 -4.606 1.00 15.31 C ATOM 602 CD1 ILE A 39 9.340 -5.736 -5.416 1.00 12.44 C ATOM 0 H ILE A 39 8.888 -3.557 -7.153 1.00 15.44 H new ATOM 0 HA ILE A 39 9.931 -1.708 -5.150 1.00 0.42 H new ATOM 0 HB ILE A 39 11.056 -4.230 -6.338 1.00 72.24 H new ATOM 0 HG12 ILE A 39 10.127 -4.722 -3.686 1.00 71.21 H new ATOM 0 HG13 ILE A 39 8.832 -3.858 -4.491 1.00 71.21 H new ATOM 0 HG21 ILE A 39 12.392 -4.383 -4.250 1.00 15.31 H new ATOM 0 HG22 ILE A 39 12.779 -2.934 -5.207 1.00 15.31 H new ATOM 0 HG23 ILE A 39 11.763 -2.795 -3.753 1.00 15.31 H new ATOM 0 HD11 ILE A 39 8.606 -6.296 -4.836 1.00 12.44 H new ATOM 0 HD12 ILE A 39 8.913 -5.472 -6.384 1.00 12.44 H new ATOM 0 HD13 ILE A 39 10.228 -6.350 -5.566 1.00 12.44 H new ATOM 614 N THR A 40 11.898 -0.716 -6.501 1.00 0.22 N ATOM 615 CA THR A 40 12.887 0.024 -7.268 1.00 72.32 C ATOM 616 C THR A 40 14.124 0.095 -6.364 1.00 63.34 C ATOM 617 O THR A 40 14.059 0.630 -5.256 1.00 14.22 O ATOM 618 CB THR A 40 12.279 1.383 -7.682 1.00 72.21 C ATOM 619 OG1 THR A 40 10.986 1.148 -8.217 1.00 75.43 O ATOM 620 CG2 THR A 40 13.104 2.093 -8.759 1.00 24.31 C ATOM 0 H THR A 40 11.830 -0.397 -5.535 1.00 0.22 H new ATOM 0 HA THR A 40 13.183 -0.438 -8.210 1.00 72.32 H new ATOM 0 HB THR A 40 12.256 2.017 -6.796 1.00 72.21 H new ATOM 0 HG1 THR A 40 10.583 2.000 -8.484 1.00 75.43 H new ATOM 0 HG21 THR A 40 12.632 3.042 -9.012 1.00 24.31 H new ATOM 0 HG22 THR A 40 14.111 2.277 -8.384 1.00 24.31 H new ATOM 0 HG23 THR A 40 13.158 1.466 -9.649 1.00 24.31 H new ATOM 628 N LEU A 41 15.206 -0.585 -6.759 1.00 43.32 N ATOM 629 CA LEU A 41 16.479 -0.672 -6.035 1.00 20.31 C ATOM 630 C LEU A 41 17.489 0.066 -6.899 1.00 15.23 C ATOM 631 O LEU A 41 17.563 -0.192 -8.105 1.00 24.20 O ATOM 632 CB LEU A 41 16.949 -2.124 -5.883 1.00 42.03 C ATOM 633 CG LEU A 41 15.939 -3.053 -5.203 1.00 61.45 C ATOM 634 CD1 LEU A 41 16.591 -4.398 -4.911 1.00 64.24 C ATOM 635 CD2 LEU A 41 15.397 -2.511 -3.882 1.00 42.21 C ATOM 0 H LEU A 41 15.219 -1.113 -7.631 1.00 43.32 H new ATOM 0 HA LEU A 41 16.372 -0.254 -5.034 1.00 20.31 H new ATOM 0 HB2 LEU A 41 17.181 -2.522 -6.871 1.00 42.03 H new ATOM 0 HB3 LEU A 41 17.876 -2.134 -5.309 1.00 42.03 H new ATOM 0 HG LEU A 41 15.106 -3.142 -5.900 1.00 61.45 H new ATOM 0 HD11 LEU A 41 15.868 -5.055 -4.427 1.00 64.24 H new ATOM 0 HD12 LEU A 41 16.925 -4.851 -5.845 1.00 64.24 H new ATOM 0 HD13 LEU A 41 17.447 -4.252 -4.252 1.00 64.24 H new ATOM 0 HD21 LEU A 41 14.688 -3.223 -3.460 1.00 42.21 H new ATOM 0 HD22 LEU A 41 16.221 -2.362 -3.184 1.00 42.21 H new ATOM 0 HD23 LEU A 41 14.895 -1.560 -4.058 1.00 42.21 H new ATOM 647 N LEU A 42 18.255 0.961 -6.290 1.00 51.23 N ATOM 648 CA LEU A 42 19.303 1.692 -6.960 1.00 23.31 C ATOM 649 C LEU A 42 20.393 0.692 -7.318 1.00 52.01 C ATOM 650 O LEU A 42 20.852 -0.080 -6.466 1.00 40.13 O ATOM 651 CB LEU A 42 19.822 2.794 -6.027 1.00 21.33 C ATOM 652 CG LEU A 42 20.622 3.884 -6.755 1.00 62.12 C ATOM 653 CD1 LEU A 42 19.720 4.767 -7.629 1.00 41.44 C ATOM 654 CD2 LEU A 42 21.303 4.741 -5.686 1.00 2.20 C ATOM 0 H LEU A 42 18.158 1.197 -5.303 1.00 51.23 H new ATOM 0 HA LEU A 42 18.947 2.176 -7.869 1.00 23.31 H new ATOM 0 HB2 LEU A 42 18.977 3.255 -5.516 1.00 21.33 H new ATOM 0 HB3 LEU A 42 20.451 2.343 -5.260 1.00 21.33 H new ATOM 0 HG LEU A 42 21.350 3.417 -7.418 1.00 62.12 H new ATOM 0 HD11 LEU A 42 20.325 5.525 -8.126 1.00 41.44 H new ATOM 0 HD12 LEU A 42 19.223 4.151 -8.378 1.00 41.44 H new ATOM 0 HD13 LEU A 42 18.971 5.253 -7.004 1.00 41.44 H new ATOM 0 HD21 LEU A 42 21.883 5.529 -6.166 1.00 2.20 H new ATOM 0 HD22 LEU A 42 20.546 5.189 -5.042 1.00 2.20 H new ATOM 0 HD23 LEU A 42 21.966 4.117 -5.087 1.00 2.20 H new ATOM 666 N ALA A 43 20.811 0.693 -8.580 1.00 14.44 N ATOM 667 CA ALA A 43 21.961 -0.070 -9.004 1.00 60.54 C ATOM 668 C ALA A 43 23.182 0.376 -8.205 1.00 55.21 C ATOM 669 O ALA A 43 23.251 1.485 -7.669 1.00 43.14 O ATOM 670 CB ALA A 43 22.214 0.147 -10.498 1.00 40.01 C ATOM 0 H ALA A 43 20.360 1.222 -9.327 1.00 14.44 H new ATOM 0 HA ALA A 43 21.775 -1.130 -8.829 1.00 60.54 H new ATOM 0 HB1 ALA A 43 23.083 -0.433 -10.808 1.00 40.01 H new ATOM 0 HB2 ALA A 43 21.341 -0.176 -11.066 1.00 40.01 H new ATOM 0 HB3 ALA A 43 22.398 1.205 -10.686 1.00 40.01 H new ATOM 676 N ASP A 44 24.204 -0.466 -8.225 1.00 42.34 N ATOM 677 CA ASP A 44 25.533 -0.089 -7.745 1.00 22.54 C ATOM 678 C ASP A 44 26.174 0.974 -8.649 1.00 43.05 C ATOM 679 O ASP A 44 27.182 1.566 -8.281 1.00 14.01 O ATOM 680 CB ASP A 44 26.406 -1.340 -7.599 1.00 55.13 C ATOM 681 CG ASP A 44 26.391 -1.833 -6.157 1.00 3.04 C ATOM 682 OD1 ASP A 44 25.397 -2.485 -5.746 1.00 3.13 O ATOM 683 OD2 ASP A 44 27.333 -1.520 -5.402 1.00 52.04 O ATOM 0 H ASP A 44 24.141 -1.424 -8.571 1.00 42.34 H new ATOM 0 HA ASP A 44 25.439 0.369 -6.760 1.00 22.54 H new ATOM 0 HB2 ASP A 44 26.042 -2.125 -8.262 1.00 55.13 H new ATOM 0 HB3 ASP A 44 27.428 -1.115 -7.903 1.00 55.13 H new ATOM 688 N ASP A 45 25.556 1.282 -9.796 1.00 21.30 N ATOM 689 CA ASP A 45 25.883 2.427 -10.648 1.00 2.13 C ATOM 690 C ASP A 45 25.465 3.767 -10.021 1.00 22.32 C ATOM 691 O ASP A 45 25.891 4.830 -10.456 1.00 63.24 O ATOM 692 CB ASP A 45 25.223 2.257 -12.010 1.00 35.34 C ATOM 693 CG ASP A 45 26.084 2.849 -13.121 1.00 13.31 C ATOM 694 OD1 ASP A 45 25.950 4.046 -13.438 1.00 51.31 O ATOM 695 OD2 ASP A 45 26.889 2.092 -13.717 1.00 14.00 O ATOM 0 H ASP A 45 24.789 0.721 -10.167 1.00 21.30 H new ATOM 0 HA ASP A 45 26.967 2.453 -10.759 1.00 2.13 H new ATOM 0 HB2 ASP A 45 25.053 1.198 -12.204 1.00 35.34 H new ATOM 0 HB3 ASP A 45 24.247 2.742 -12.006 1.00 35.34 H new ATOM 700 N GLY A 46 24.592 3.739 -9.008 1.00 64.15 N ATOM 701 CA GLY A 46 24.173 4.898 -8.223 1.00 53.05 C ATOM 702 C GLY A 46 23.251 5.874 -8.960 1.00 15.44 C ATOM 703 O GLY A 46 22.659 6.737 -8.320 1.00 21.20 O ATOM 0 H GLY A 46 24.143 2.875 -8.704 1.00 64.15 H new ATOM 0 HA2 GLY A 46 23.664 4.546 -7.326 1.00 53.05 H new ATOM 0 HA3 GLY A 46 25.062 5.437 -7.895 1.00 53.05 H new ATOM 707 N GLU A 47 23.102 5.761 -10.279 1.00 44.34 N ATOM 708 CA GLU A 47 22.252 6.616 -11.107 1.00 12.40 C ATOM 709 C GLU A 47 21.457 5.789 -12.133 1.00 4.04 C ATOM 710 O GLU A 47 21.053 6.286 -13.187 1.00 64.21 O ATOM 711 CB GLU A 47 23.111 7.701 -11.763 1.00 54.22 C ATOM 712 CG GLU A 47 24.146 7.128 -12.742 1.00 55.13 C ATOM 713 CD GLU A 47 24.797 8.196 -13.618 1.00 62.11 C ATOM 714 OE1 GLU A 47 24.074 8.882 -14.377 1.00 53.14 O ATOM 715 OE2 GLU A 47 26.041 8.306 -13.549 1.00 40.43 O ATOM 0 H GLU A 47 23.587 5.046 -10.820 1.00 44.34 H new ATOM 0 HA GLU A 47 21.509 7.107 -10.479 1.00 12.40 H new ATOM 0 HB2 GLU A 47 22.464 8.400 -12.293 1.00 54.22 H new ATOM 0 HB3 GLU A 47 23.626 8.269 -10.988 1.00 54.22 H new ATOM 0 HG2 GLU A 47 24.920 6.607 -12.179 1.00 55.13 H new ATOM 0 HG3 GLU A 47 23.663 6.388 -13.380 1.00 55.13 H new ATOM 722 N THR A 48 21.264 4.503 -11.845 1.00 15.40 N ATOM 723 CA THR A 48 20.439 3.577 -12.603 1.00 75.51 C ATOM 724 C THR A 48 19.437 2.988 -11.612 1.00 71.42 C ATOM 725 O THR A 48 19.841 2.291 -10.679 1.00 60.23 O ATOM 726 CB THR A 48 21.324 2.511 -13.272 1.00 41.33 C ATOM 727 OG1 THR A 48 22.117 3.066 -14.299 1.00 74.34 O ATOM 728 CG2 THR A 48 20.520 1.372 -13.909 1.00 51.45 C ATOM 0 H THR A 48 21.702 4.062 -11.036 1.00 15.40 H new ATOM 0 HA THR A 48 19.901 4.065 -13.416 1.00 75.51 H new ATOM 0 HB THR A 48 21.939 2.119 -12.462 1.00 41.33 H new ATOM 0 HG1 THR A 48 22.668 2.363 -14.702 1.00 74.34 H new ATOM 0 HG21 THR A 48 21.203 0.654 -14.363 1.00 51.45 H new ATOM 0 HG22 THR A 48 19.926 0.873 -13.143 1.00 51.45 H new ATOM 0 HG23 THR A 48 19.858 1.778 -14.674 1.00 51.45 H new ATOM 736 N GLU A 49 18.150 3.281 -11.772 1.00 13.13 N ATOM 737 CA GLU A 49 17.092 2.554 -11.079 1.00 32.43 C ATOM 738 C GLU A 49 17.018 1.157 -11.702 1.00 52.04 C ATOM 739 O GLU A 49 17.170 1.029 -12.920 1.00 73.53 O ATOM 740 CB GLU A 49 15.750 3.274 -11.289 1.00 22.34 C ATOM 741 CG GLU A 49 15.711 4.679 -10.673 1.00 44.12 C ATOM 742 CD GLU A 49 14.584 5.550 -11.233 1.00 23.54 C ATOM 743 OE1 GLU A 49 13.477 5.027 -11.507 1.00 60.23 O ATOM 744 OE2 GLU A 49 14.827 6.767 -11.415 1.00 2.02 O ATOM 0 H GLU A 49 17.812 4.025 -12.382 1.00 13.13 H new ATOM 0 HA GLU A 49 17.298 2.497 -10.010 1.00 32.43 H new ATOM 0 HB2 GLU A 49 15.549 3.348 -12.358 1.00 22.34 H new ATOM 0 HB3 GLU A 49 14.951 2.672 -10.855 1.00 22.34 H new ATOM 0 HG2 GLU A 49 15.592 4.592 -9.593 1.00 44.12 H new ATOM 0 HG3 GLU A 49 16.666 5.173 -10.850 1.00 44.12 H new ATOM 751 N LYS A 50 16.733 0.105 -10.929 1.00 44.31 N ATOM 752 CA LYS A 50 16.354 -1.196 -11.485 1.00 52.23 C ATOM 753 C LYS A 50 15.135 -1.700 -10.726 1.00 60.34 C ATOM 754 O LYS A 50 15.167 -1.804 -9.496 1.00 44.22 O ATOM 755 CB LYS A 50 17.507 -2.211 -11.428 1.00 4.33 C ATOM 756 CG LYS A 50 18.772 -1.795 -12.210 1.00 54.11 C ATOM 757 CD LYS A 50 19.634 -3.018 -12.576 1.00 61.52 C ATOM 758 CE LYS A 50 21.115 -2.832 -12.229 1.00 55.13 C ATOM 759 NZ LYS A 50 21.873 -2.089 -13.255 1.00 35.20 N ATOM 0 H LYS A 50 16.758 0.131 -9.910 1.00 44.31 H new ATOM 0 HA LYS A 50 16.114 -1.077 -12.542 1.00 52.23 H new ATOM 0 HB2 LYS A 50 17.778 -2.374 -10.385 1.00 4.33 H new ATOM 0 HB3 LYS A 50 17.153 -3.165 -11.818 1.00 4.33 H new ATOM 0 HG2 LYS A 50 18.483 -1.267 -13.119 1.00 54.11 H new ATOM 0 HG3 LYS A 50 19.360 -1.100 -11.611 1.00 54.11 H new ATOM 0 HD2 LYS A 50 19.251 -3.895 -12.053 1.00 61.52 H new ATOM 0 HD3 LYS A 50 19.539 -3.216 -13.644 1.00 61.52 H new ATOM 0 HE2 LYS A 50 21.193 -2.305 -11.278 1.00 55.13 H new ATOM 0 HE3 LYS A 50 21.573 -3.811 -12.089 1.00 55.13 H new ATOM 0 HZ1 LYS A 50 22.890 -2.270 -13.134 1.00 35.20 H new ATOM 0 HZ2 LYS A 50 21.576 -2.403 -14.201 1.00 35.20 H new ATOM 0 HZ3 LYS A 50 21.688 -1.071 -13.154 1.00 35.20 H new ATOM 773 N THR A 51 14.045 -1.998 -11.433 1.00 41.32 N ATOM 774 CA THR A 51 12.847 -2.527 -10.797 1.00 41.03 C ATOM 775 C THR A 51 12.947 -4.048 -10.633 1.00 52.15 C ATOM 776 O THR A 51 13.773 -4.701 -11.287 1.00 71.14 O ATOM 777 CB THR A 51 11.583 -2.074 -11.546 1.00 34.24 C ATOM 778 OG1 THR A 51 11.603 -2.466 -12.902 1.00 13.01 O ATOM 779 CG2 THR A 51 11.430 -0.555 -11.498 1.00 0.32 C ATOM 0 H THR A 51 13.971 -1.881 -12.444 1.00 41.32 H new ATOM 0 HA THR A 51 12.766 -2.116 -9.791 1.00 41.03 H new ATOM 0 HB THR A 51 10.744 -2.555 -11.042 1.00 34.24 H new ATOM 0 HG1 THR A 51 10.782 -2.161 -13.343 1.00 13.01 H new ATOM 0 HG21 THR A 51 10.528 -0.263 -12.036 1.00 0.32 H new ATOM 0 HG22 THR A 51 11.356 -0.229 -10.460 1.00 0.32 H new ATOM 0 HG23 THR A 51 12.297 -0.087 -11.964 1.00 0.32 H new ATOM 787 N PHE A 52 12.100 -4.615 -9.768 1.00 74.54 N ATOM 788 CA PHE A 52 12.083 -6.043 -9.436 1.00 74.22 C ATOM 789 C PHE A 52 10.652 -6.588 -9.338 1.00 54.23 C ATOM 790 O PHE A 52 9.717 -5.818 -9.072 1.00 51.12 O ATOM 791 CB PHE A 52 12.829 -6.273 -8.109 1.00 31.11 C ATOM 792 CG PHE A 52 14.331 -6.274 -8.267 1.00 24.44 C ATOM 793 CD1 PHE A 52 15.032 -5.056 -8.298 1.00 15.12 C ATOM 794 CD2 PHE A 52 15.028 -7.489 -8.420 1.00 11.11 C ATOM 795 CE1 PHE A 52 16.415 -5.047 -8.516 1.00 44.22 C ATOM 796 CE2 PHE A 52 16.417 -7.479 -8.624 1.00 2.31 C ATOM 797 CZ PHE A 52 17.110 -6.259 -8.687 1.00 51.13 C ATOM 0 H PHE A 52 11.390 -4.081 -9.267 1.00 74.54 H new ATOM 0 HA PHE A 52 12.585 -6.582 -10.240 1.00 74.22 H new ATOM 0 HB2 PHE A 52 12.545 -5.496 -7.400 1.00 31.11 H new ATOM 0 HB3 PHE A 52 12.514 -7.225 -7.682 1.00 31.11 H new ATOM 0 HD1 PHE A 52 14.503 -4.126 -8.153 1.00 15.12 H new ATOM 0 HD2 PHE A 52 14.494 -8.427 -8.380 1.00 11.11 H new ATOM 0 HE1 PHE A 52 16.949 -4.109 -8.553 1.00 44.22 H new ATOM 0 HE2 PHE A 52 16.953 -8.410 -8.733 1.00 2.31 H new ATOM 0 HZ PHE A 52 18.175 -6.251 -8.866 1.00 51.13 H new ATOM 807 N PRO A 53 10.462 -7.915 -9.488 1.00 4.33 N ATOM 808 CA PRO A 53 9.168 -8.557 -9.312 1.00 73.30 C ATOM 809 C PRO A 53 8.759 -8.524 -7.838 1.00 20.11 C ATOM 810 O PRO A 53 9.567 -8.765 -6.939 1.00 75.20 O ATOM 811 CB PRO A 53 9.333 -9.993 -9.826 1.00 40.33 C ATOM 812 CG PRO A 53 10.823 -10.272 -9.648 1.00 44.04 C ATOM 813 CD PRO A 53 11.470 -8.905 -9.858 1.00 1.11 C ATOM 0 HA PRO A 53 8.378 -8.045 -9.861 1.00 73.30 H new ATOM 0 HB2 PRO A 53 8.723 -10.695 -9.257 1.00 40.33 H new ATOM 0 HB3 PRO A 53 9.031 -10.082 -10.869 1.00 40.33 H new ATOM 0 HG2 PRO A 53 11.041 -10.671 -8.657 1.00 44.04 H new ATOM 0 HG3 PRO A 53 11.184 -11.002 -10.372 1.00 44.04 H new ATOM 0 HD2 PRO A 53 12.364 -8.799 -9.243 1.00 1.11 H new ATOM 0 HD3 PRO A 53 11.780 -8.776 -10.895 1.00 1.11 H new ATOM 821 N PHE A 54 7.489 -8.229 -7.588 1.00 55.04 N ATOM 822 CA PHE A 54 6.858 -8.181 -6.280 1.00 31.43 C ATOM 823 C PHE A 54 6.152 -9.514 -6.034 1.00 41.40 C ATOM 824 O PHE A 54 5.038 -9.720 -6.513 1.00 55.12 O ATOM 825 CB PHE A 54 5.915 -6.972 -6.288 1.00 62.53 C ATOM 826 CG PHE A 54 4.940 -6.842 -5.146 1.00 75.53 C ATOM 827 CD1 PHE A 54 5.382 -6.293 -3.937 1.00 54.44 C ATOM 828 CD2 PHE A 54 3.576 -7.142 -5.325 1.00 13.34 C ATOM 829 CE1 PHE A 54 4.460 -5.977 -2.931 1.00 3.13 C ATOM 830 CE2 PHE A 54 2.657 -6.857 -4.300 1.00 73.43 C ATOM 831 CZ PHE A 54 3.100 -6.255 -3.110 1.00 54.11 C ATOM 0 H PHE A 54 6.836 -8.004 -8.339 1.00 55.04 H new ATOM 0 HA PHE A 54 7.565 -8.053 -5.461 1.00 31.43 H new ATOM 0 HB2 PHE A 54 6.526 -6.069 -6.313 1.00 62.53 H new ATOM 0 HB3 PHE A 54 5.344 -6.997 -7.216 1.00 62.53 H new ATOM 0 HD1 PHE A 54 6.435 -6.113 -3.779 1.00 54.44 H new ATOM 0 HD2 PHE A 54 3.237 -7.590 -6.247 1.00 13.34 H new ATOM 0 HE1 PHE A 54 4.800 -5.517 -2.015 1.00 3.13 H new ATOM 0 HE2 PHE A 54 1.612 -7.100 -4.427 1.00 73.43 H new ATOM 0 HZ PHE A 54 2.391 -6.007 -2.334 1.00 54.11 H new ATOM 841 N THR A 55 6.812 -10.455 -5.362 1.00 14.23 N ATOM 842 CA THR A 55 6.273 -11.763 -4.981 1.00 41.31 C ATOM 843 C THR A 55 5.372 -11.629 -3.740 1.00 41.11 C ATOM 844 O THR A 55 5.458 -10.632 -3.017 1.00 34.24 O ATOM 845 CB THR A 55 7.466 -12.719 -4.740 1.00 2.33 C ATOM 846 OG1 THR A 55 8.546 -12.045 -4.098 1.00 51.20 O ATOM 847 CG2 THR A 55 7.984 -13.240 -6.082 1.00 4.14 C ATOM 0 H THR A 55 7.776 -10.324 -5.055 1.00 14.23 H new ATOM 0 HA THR A 55 5.647 -12.172 -5.774 1.00 41.31 H new ATOM 0 HB THR A 55 7.113 -13.533 -4.107 1.00 2.33 H new ATOM 0 HG1 THR A 55 9.285 -12.673 -3.956 1.00 51.20 H new ATOM 0 HG21 THR A 55 8.824 -13.913 -5.911 1.00 4.14 H new ATOM 0 HG22 THR A 55 7.187 -13.778 -6.596 1.00 4.14 H new ATOM 0 HG23 THR A 55 8.310 -12.401 -6.697 1.00 4.14 H new ATOM 855 N LYS A 56 4.530 -12.632 -3.444 1.00 40.10 N ATOM 856 CA LYS A 56 3.657 -12.659 -2.249 1.00 75.43 C ATOM 857 C LYS A 56 4.444 -12.673 -0.933 1.00 12.43 C ATOM 858 O LYS A 56 3.856 -12.468 0.127 1.00 40.13 O ATOM 859 CB LYS A 56 2.710 -13.878 -2.311 1.00 33.12 C ATOM 860 CG LYS A 56 1.265 -13.586 -2.752 1.00 63.30 C ATOM 861 CD LYS A 56 1.123 -12.841 -4.085 1.00 41.14 C ATOM 862 CE LYS A 56 -0.295 -12.945 -4.666 1.00 15.43 C ATOM 863 NZ LYS A 56 -0.583 -14.292 -5.212 1.00 32.24 N ATOM 0 H LYS A 56 4.432 -13.459 -4.032 1.00 40.10 H new ATOM 0 HA LYS A 56 3.077 -11.736 -2.262 1.00 75.43 H new ATOM 0 HB2 LYS A 56 3.137 -14.611 -2.996 1.00 33.12 H new ATOM 0 HB3 LYS A 56 2.682 -14.342 -1.325 1.00 33.12 H new ATOM 0 HG2 LYS A 56 0.727 -14.531 -2.824 1.00 63.30 H new ATOM 0 HG3 LYS A 56 0.777 -13.000 -1.974 1.00 63.30 H new ATOM 0 HD2 LYS A 56 1.377 -11.791 -3.940 1.00 41.14 H new ATOM 0 HD3 LYS A 56 1.837 -13.246 -4.802 1.00 41.14 H new ATOM 0 HE2 LYS A 56 -1.022 -12.708 -3.889 1.00 15.43 H new ATOM 0 HE3 LYS A 56 -0.417 -12.202 -5.454 1.00 15.43 H new ATOM 0 HZ1 LYS A 56 -1.470 -14.264 -5.755 1.00 32.24 H new ATOM 0 HZ2 LYS A 56 0.195 -14.588 -5.835 1.00 32.24 H new ATOM 0 HZ3 LYS A 56 -0.677 -14.971 -4.430 1.00 32.24 H new ATOM 877 N GLU A 57 5.758 -12.884 -0.961 1.00 21.05 N ATOM 878 CA GLU A 57 6.616 -12.667 0.191 1.00 53.42 C ATOM 879 C GLU A 57 6.605 -11.196 0.585 1.00 75.21 C ATOM 880 O GLU A 57 6.488 -10.907 1.769 1.00 71.44 O ATOM 881 CB GLU A 57 8.030 -13.116 -0.129 1.00 22.31 C ATOM 882 CG GLU A 57 8.287 -14.582 0.238 1.00 55.20 C ATOM 883 CD GLU A 57 9.337 -15.159 -0.703 1.00 41.40 C ATOM 884 OE1 GLU A 57 10.542 -14.838 -0.549 1.00 2.41 O ATOM 885 OE2 GLU A 57 8.934 -15.780 -1.709 1.00 44.40 O ATOM 0 H GLU A 57 6.255 -13.212 -1.789 1.00 21.05 H new ATOM 0 HA GLU A 57 6.240 -13.253 1.030 1.00 53.42 H new ATOM 0 HB2 GLU A 57 8.219 -12.974 -1.193 1.00 22.31 H new ATOM 0 HB3 GLU A 57 8.737 -12.483 0.407 1.00 22.31 H new ATOM 0 HG2 GLU A 57 8.627 -14.656 1.271 1.00 55.20 H new ATOM 0 HG3 GLU A 57 7.362 -15.155 0.165 1.00 55.20 H new ATOM 892 N LYS A 58 6.688 -10.282 -0.388 1.00 2.23 N ATOM 893 CA LYS A 58 6.968 -8.860 -0.192 1.00 54.41 C ATOM 894 C LYS A 58 5.727 -8.089 0.239 1.00 71.20 C ATOM 895 O LYS A 58 5.510 -6.975 -0.209 1.00 44.14 O ATOM 896 CB LYS A 58 7.611 -8.269 -1.459 1.00 64.31 C ATOM 897 CG LYS A 58 8.874 -9.054 -1.830 1.00 52.10 C ATOM 898 CD LYS A 58 9.806 -8.305 -2.792 1.00 14.11 C ATOM 899 CE LYS A 58 10.138 -9.226 -3.969 1.00 15.43 C ATOM 900 NZ LYS A 58 11.312 -8.800 -4.751 1.00 53.04 N ATOM 0 H LYS A 58 6.557 -10.524 -1.370 1.00 2.23 H new ATOM 0 HA LYS A 58 7.682 -8.760 0.626 1.00 54.41 H new ATOM 0 HB2 LYS A 58 6.900 -8.300 -2.284 1.00 64.31 H new ATOM 0 HB3 LYS A 58 7.861 -7.221 -1.293 1.00 64.31 H new ATOM 0 HG2 LYS A 58 9.423 -9.293 -0.919 1.00 52.10 H new ATOM 0 HG3 LYS A 58 8.582 -10.001 -2.284 1.00 52.10 H new ATOM 0 HD2 LYS A 58 9.327 -7.393 -3.149 1.00 14.11 H new ATOM 0 HD3 LYS A 58 10.719 -8.005 -2.277 1.00 14.11 H new ATOM 0 HE2 LYS A 58 10.312 -10.233 -3.591 1.00 15.43 H new ATOM 0 HE3 LYS A 58 9.273 -9.279 -4.631 1.00 15.43 H new ATOM 0 HZ1 LYS A 58 11.038 -8.672 -5.746 1.00 53.04 H new ATOM 0 HZ2 LYS A 58 11.673 -7.901 -4.373 1.00 53.04 H new ATOM 0 HZ3 LYS A 58 12.054 -9.526 -4.686 1.00 53.04 H new ATOM 914 N TRP A 59 4.890 -8.691 1.073 1.00 73.04 N ATOM 915 CA TRP A 59 3.596 -8.172 1.464 1.00 2.42 C ATOM 916 C TRP A 59 3.633 -7.671 2.924 1.00 74.23 C ATOM 917 O TRP A 59 3.303 -8.445 3.830 1.00 11.22 O ATOM 918 CB TRP A 59 2.579 -9.294 1.205 1.00 3.44 C ATOM 919 CG TRP A 59 1.165 -8.836 1.244 1.00 60.13 C ATOM 920 CD1 TRP A 59 0.385 -8.824 2.342 1.00 3.11 C ATOM 921 CD2 TRP A 59 0.427 -8.121 0.214 1.00 22.44 C ATOM 922 NE1 TRP A 59 -0.779 -8.143 2.065 1.00 15.13 N ATOM 923 CE2 TRP A 59 -0.792 -7.652 0.778 1.00 22.04 C ATOM 924 CE3 TRP A 59 0.726 -7.728 -1.105 1.00 21.33 C ATOM 925 CZ2 TRP A 59 -1.656 -6.800 0.076 1.00 13.11 C ATOM 926 CZ3 TRP A 59 -0.125 -6.860 -1.811 1.00 11.42 C ATOM 927 CH2 TRP A 59 -1.312 -6.402 -1.221 1.00 20.32 C ATOM 0 H TRP A 59 5.106 -9.587 1.509 1.00 73.04 H new ATOM 0 HA TRP A 59 3.303 -7.297 0.884 1.00 2.42 H new ATOM 0 HB2 TRP A 59 2.781 -9.739 0.231 1.00 3.44 H new ATOM 0 HB3 TRP A 59 2.719 -10.079 1.949 1.00 3.44 H new ATOM 0 HD1 TRP A 59 0.634 -9.277 3.290 1.00 3.11 H new ATOM 0 HE1 TRP A 59 -1.540 -8.017 2.732 1.00 15.13 H new ATOM 0 HE3 TRP A 59 1.622 -8.099 -1.581 1.00 21.33 H new ATOM 0 HZ2 TRP A 59 -2.574 -6.456 0.529 1.00 13.11 H new ATOM 0 HZ3 TRP A 59 0.136 -6.545 -2.811 1.00 11.42 H new ATOM 0 HH2 TRP A 59 -1.964 -5.739 -1.770 1.00 20.32 H new ATOM 938 N PRO A 60 4.060 -6.418 3.190 1.00 21.42 N ATOM 939 CA PRO A 60 3.848 -5.790 4.484 1.00 21.15 C ATOM 940 C PRO A 60 2.346 -5.630 4.741 1.00 22.23 C ATOM 941 O PRO A 60 1.589 -5.175 3.880 1.00 23.45 O ATOM 942 CB PRO A 60 4.602 -4.455 4.479 1.00 71.24 C ATOM 943 CG PRO A 60 4.975 -4.190 3.023 1.00 22.14 C ATOM 944 CD PRO A 60 4.725 -5.500 2.277 1.00 43.23 C ATOM 0 HA PRO A 60 4.233 -6.401 5.300 1.00 21.15 H new ATOM 0 HB2 PRO A 60 3.979 -3.653 4.875 1.00 71.24 H new ATOM 0 HB3 PRO A 60 5.492 -4.507 5.107 1.00 71.24 H new ATOM 0 HG2 PRO A 60 4.372 -3.383 2.607 1.00 22.14 H new ATOM 0 HG3 PRO A 60 6.018 -3.885 2.937 1.00 22.14 H new ATOM 0 HD2 PRO A 60 4.108 -5.325 1.396 1.00 43.23 H new ATOM 0 HD3 PRO A 60 5.666 -5.925 1.928 1.00 43.23 H new ATOM 952 N LEU A 61 1.909 -6.056 5.924 1.00 61.23 N ATOM 953 CA LEU A 61 0.593 -5.821 6.501 1.00 62.30 C ATOM 954 C LEU A 61 0.427 -4.354 6.871 1.00 24.15 C ATOM 955 O LEU A 61 0.959 -3.918 7.889 1.00 62.42 O ATOM 956 CB LEU A 61 0.423 -6.718 7.728 1.00 61.31 C ATOM 957 CG LEU A 61 -0.098 -8.126 7.398 1.00 52.51 C ATOM 958 CD1 LEU A 61 0.238 -8.729 6.031 1.00 54.50 C ATOM 959 CD2 LEU A 61 0.412 -9.121 8.429 1.00 22.41 C ATOM 0 H LEU A 61 2.504 -6.609 6.541 1.00 61.23 H new ATOM 0 HA LEU A 61 -0.177 -6.064 5.769 1.00 62.30 H new ATOM 0 HB2 LEU A 61 1.382 -6.806 8.238 1.00 61.31 H new ATOM 0 HB3 LEU A 61 -0.266 -6.239 8.424 1.00 61.31 H new ATOM 0 HG LEU A 61 -1.176 -7.967 7.398 1.00 52.51 H new ATOM 0 HD11 LEU A 61 -0.201 -9.724 5.954 1.00 54.50 H new ATOM 0 HD12 LEU A 61 -0.165 -8.092 5.243 1.00 54.50 H new ATOM 0 HD13 LEU A 61 1.320 -8.801 5.921 1.00 54.50 H new ATOM 0 HD21 LEU A 61 0.039 -10.117 8.189 1.00 22.41 H new ATOM 0 HD22 LEU A 61 1.502 -9.129 8.418 1.00 22.41 H new ATOM 0 HD23 LEU A 61 0.061 -8.831 9.419 1.00 22.41 H new ATOM 971 N LEU A 62 -0.324 -3.599 6.067 1.00 64.40 N ATOM 972 CA LEU A 62 -0.733 -2.255 6.451 1.00 4.54 C ATOM 973 C LEU A 62 -1.814 -2.369 7.527 1.00 53.24 C ATOM 974 O LEU A 62 -2.616 -3.311 7.537 1.00 71.02 O ATOM 975 CB LEU A 62 -1.268 -1.431 5.260 1.00 1.55 C ATOM 976 CG LEU A 62 -0.304 -1.097 4.102 1.00 40.23 C ATOM 977 CD1 LEU A 62 1.105 -0.723 4.579 1.00 1.11 C ATOM 978 CD2 LEU A 62 -0.229 -2.222 3.063 1.00 14.12 C ATOM 0 H LEU A 62 -0.658 -3.897 5.151 1.00 64.40 H new ATOM 0 HA LEU A 62 0.144 -1.729 6.827 1.00 4.54 H new ATOM 0 HB2 LEU A 62 -2.117 -1.970 4.839 1.00 1.55 H new ATOM 0 HB3 LEU A 62 -1.651 -0.490 5.654 1.00 1.55 H new ATOM 0 HG LEU A 62 -0.732 -0.216 3.623 1.00 40.23 H new ATOM 0 HD11 LEU A 62 1.734 -0.500 3.717 1.00 1.11 H new ATOM 0 HD12 LEU A 62 1.050 0.153 5.225 1.00 1.11 H new ATOM 0 HD13 LEU A 62 1.534 -1.557 5.135 1.00 1.11 H new ATOM 0 HD21 LEU A 62 0.462 -1.939 2.269 1.00 14.12 H new ATOM 0 HD22 LEU A 62 0.123 -3.136 3.541 1.00 14.12 H new ATOM 0 HD23 LEU A 62 -1.219 -2.392 2.639 1.00 14.12 H new ATOM 990 N ASP A 63 -1.931 -1.345 8.357 1.00 54.43 N ATOM 991 CA ASP A 63 -2.719 -1.283 9.587 1.00 72.22 C ATOM 992 C ASP A 63 -3.731 -0.145 9.503 1.00 53.14 C ATOM 993 O ASP A 63 -3.837 0.545 8.486 1.00 71.43 O ATOM 994 CB ASP A 63 -1.775 -1.109 10.795 1.00 71.33 C ATOM 995 CG ASP A 63 -0.689 -0.052 10.584 1.00 63.12 C ATOM 996 OD1 ASP A 63 -0.996 0.953 9.900 1.00 52.51 O ATOM 997 OD2 ASP A 63 0.457 -0.269 11.049 1.00 34.41 O ATOM 0 H ASP A 63 -1.443 -0.467 8.179 1.00 54.43 H new ATOM 0 HA ASP A 63 -3.274 -2.212 9.716 1.00 72.22 H new ATOM 0 HB2 ASP A 63 -2.366 -0.839 11.670 1.00 71.33 H new ATOM 0 HB3 ASP A 63 -1.300 -2.065 11.014 1.00 71.33 H new ATOM 1002 N SER A 64 -4.552 0.011 10.536 1.00 43.41 N ATOM 1003 CA SER A 64 -5.619 1.009 10.596 1.00 22.32 C ATOM 1004 C SER A 64 -5.124 2.379 11.034 1.00 30.23 C ATOM 1005 O SER A 64 -5.927 3.274 11.301 1.00 43.30 O ATOM 1006 CB SER A 64 -6.722 0.489 11.513 1.00 73.32 C ATOM 1007 OG SER A 64 -7.965 1.131 11.255 1.00 71.33 O ATOM 0 H SER A 64 -4.494 -0.565 11.375 1.00 43.41 H new ATOM 0 HA SER A 64 -6.013 1.155 9.590 1.00 22.32 H new ATOM 0 HB2 SER A 64 -6.832 -0.587 11.376 1.00 73.32 H new ATOM 0 HB3 SER A 64 -6.438 0.651 12.553 1.00 73.32 H new ATOM 0 HG SER A 64 -7.824 2.098 11.179 1.00 71.33 H new ATOM 1013 N GLU A 65 -3.820 2.534 11.190 1.00 71.22 N ATOM 1014 CA GLU A 65 -3.192 3.813 11.489 1.00 52.55 C ATOM 1015 C GLU A 65 -2.560 4.470 10.259 1.00 12.20 C ATOM 1016 O GLU A 65 -2.618 5.692 10.140 1.00 30.24 O ATOM 1017 CB GLU A 65 -2.216 3.667 12.647 1.00 21.33 C ATOM 1018 CG GLU A 65 -1.093 2.670 12.400 1.00 4.53 C ATOM 1019 CD GLU A 65 -0.047 2.655 13.502 1.00 34.32 C ATOM 1020 OE1 GLU A 65 0.743 3.621 13.584 1.00 1.24 O ATOM 1021 OE2 GLU A 65 -0.042 1.680 14.293 1.00 53.23 O ATOM 0 H GLU A 65 -3.156 1.763 11.112 1.00 71.22 H new ATOM 0 HA GLU A 65 -3.978 4.501 11.801 1.00 52.55 H new ATOM 0 HB2 GLU A 65 -1.779 4.642 12.863 1.00 21.33 H new ATOM 0 HB3 GLU A 65 -2.768 3.361 13.536 1.00 21.33 H new ATOM 0 HG2 GLU A 65 -1.519 1.672 12.300 1.00 4.53 H new ATOM 0 HG3 GLU A 65 -0.609 2.907 11.453 1.00 4.53 H new ATOM 1028 N THR A 66 -2.047 3.706 9.294 1.00 54.23 N ATOM 1029 CA THR A 66 -1.487 4.250 8.073 1.00 72.34 C ATOM 1030 C THR A 66 -2.568 4.954 7.234 1.00 71.15 C ATOM 1031 O THR A 66 -2.276 5.935 6.548 1.00 43.13 O ATOM 1032 CB THR A 66 -0.826 3.102 7.287 1.00 34.34 C ATOM 1033 OG1 THR A 66 -1.351 1.809 7.538 1.00 31.22 O ATOM 1034 CG2 THR A 66 0.685 3.046 7.522 1.00 71.33 C ATOM 0 H THR A 66 -2.012 2.688 9.345 1.00 54.23 H new ATOM 0 HA THR A 66 -0.737 5.003 8.315 1.00 72.34 H new ATOM 0 HB THR A 66 -1.058 3.352 6.252 1.00 34.34 H new ATOM 0 HG1 THR A 66 -0.914 1.426 8.327 1.00 31.22 H new ATOM 0 HG21 THR A 66 1.112 2.223 6.950 1.00 71.33 H new ATOM 0 HG22 THR A 66 1.138 3.984 7.201 1.00 71.33 H new ATOM 0 HG23 THR A 66 0.883 2.891 8.583 1.00 71.33 H new ATOM 1042 N MET A 67 -3.820 4.497 7.321 1.00 34.30 N ATOM 1043 CA MET A 67 -4.957 5.038 6.588 1.00 65.04 C ATOM 1044 C MET A 67 -5.632 6.131 7.423 1.00 34.43 C ATOM 1045 O MET A 67 -6.803 6.015 7.794 1.00 72.14 O ATOM 1046 CB MET A 67 -5.913 3.899 6.192 1.00 14.45 C ATOM 1047 CG MET A 67 -6.893 4.327 5.090 1.00 51.21 C ATOM 1048 SD MET A 67 -6.178 4.756 3.473 1.00 24.25 S ATOM 1049 CE MET A 67 -5.337 3.205 3.067 1.00 62.24 C ATOM 0 H MET A 67 -4.073 3.715 7.924 1.00 34.30 H new ATOM 0 HA MET A 67 -4.627 5.505 5.660 1.00 65.04 H new ATOM 0 HB2 MET A 67 -5.333 3.042 5.849 1.00 14.45 H new ATOM 0 HB3 MET A 67 -6.473 3.574 7.069 1.00 14.45 H new ATOM 0 HG2 MET A 67 -7.609 3.519 4.941 1.00 51.21 H new ATOM 0 HG3 MET A 67 -7.455 5.188 5.452 1.00 51.21 H new ATOM 0 HE1 MET A 67 -5.060 3.206 2.013 1.00 62.24 H new ATOM 0 HE2 MET A 67 -4.440 3.107 3.678 1.00 62.24 H new ATOM 0 HE3 MET A 67 -6.004 2.366 3.266 1.00 62.24 H new ATOM 1059 N LYS A 68 -4.886 7.191 7.732 1.00 64.12 N ATOM 1060 CA LYS A 68 -5.435 8.452 8.225 1.00 21.40 C ATOM 1061 C LYS A 68 -4.900 9.584 7.367 1.00 23.34 C ATOM 1062 O LYS A 68 -3.692 9.692 7.162 1.00 71.04 O ATOM 1063 CB LYS A 68 -5.072 8.705 9.697 1.00 12.20 C ATOM 1064 CG LYS A 68 -6.070 8.112 10.699 1.00 73.32 C ATOM 1065 CD LYS A 68 -5.778 6.657 11.076 1.00 65.23 C ATOM 1066 CE LYS A 68 -6.676 6.234 12.241 1.00 52.22 C ATOM 1067 NZ LYS A 68 -6.118 6.650 13.545 1.00 54.11 N ATOM 0 H LYS A 68 -3.870 7.197 7.645 1.00 64.12 H new ATOM 0 HA LYS A 68 -6.522 8.399 8.163 1.00 21.40 H new ATOM 0 HB2 LYS A 68 -4.085 8.287 9.894 1.00 12.20 H new ATOM 0 HB3 LYS A 68 -5.002 9.780 9.863 1.00 12.20 H new ATOM 0 HG2 LYS A 68 -6.066 8.720 11.604 1.00 73.32 H new ATOM 0 HG3 LYS A 68 -7.073 8.174 10.278 1.00 73.32 H new ATOM 0 HD2 LYS A 68 -5.950 6.008 10.218 1.00 65.23 H new ATOM 0 HD3 LYS A 68 -4.730 6.547 11.354 1.00 65.23 H new ATOM 0 HE2 LYS A 68 -7.666 6.671 12.114 1.00 52.22 H new ATOM 0 HE3 LYS A 68 -6.802 5.151 12.228 1.00 52.22 H new ATOM 0 HZ1 LYS A 68 -6.755 6.345 14.308 1.00 54.11 H new ATOM 0 HZ2 LYS A 68 -5.184 6.213 13.678 1.00 54.11 H new ATOM 0 HZ3 LYS A 68 -6.022 7.685 13.567 1.00 54.11 H new ATOM 1081 N GLU A 69 -5.791 10.453 6.905 1.00 32.33 N ATOM 1082 CA GLU A 69 -5.444 11.671 6.196 1.00 31.30 C ATOM 1083 C GLU A 69 -5.551 12.830 7.161 1.00 72.42 C ATOM 1084 O GLU A 69 -6.648 13.270 7.507 1.00 64.42 O ATOM 1085 CB GLU A 69 -6.308 11.895 4.926 1.00 43.43 C ATOM 1086 CG GLU A 69 -6.942 10.670 4.241 1.00 62.04 C ATOM 1087 CD GLU A 69 -8.302 10.313 4.865 1.00 21.41 C ATOM 1088 OE1 GLU A 69 -8.353 9.660 5.935 1.00 13.42 O ATOM 1089 OE2 GLU A 69 -9.350 10.693 4.288 1.00 35.40 O ATOM 0 H GLU A 69 -6.797 10.324 7.017 1.00 32.33 H new ATOM 0 HA GLU A 69 -4.420 11.586 5.831 1.00 31.30 H new ATOM 0 HB2 GLU A 69 -7.113 12.580 5.190 1.00 43.43 H new ATOM 0 HB3 GLU A 69 -5.687 12.402 4.188 1.00 43.43 H new ATOM 0 HG2 GLU A 69 -7.071 10.873 3.178 1.00 62.04 H new ATOM 0 HG3 GLU A 69 -6.268 9.817 4.323 1.00 62.04 H new ATOM 1096 N GLU A 70 -4.394 13.349 7.554 1.00 72.14 N ATOM 1097 CA GLU A 70 -4.240 14.621 8.216 1.00 54.54 C ATOM 1098 C GLU A 70 -3.015 15.342 7.643 1.00 11.11 C ATOM 1099 O GLU A 70 -2.500 14.922 6.607 1.00 32.01 O ATOM 1100 CB GLU A 70 -4.294 14.438 9.728 1.00 23.34 C ATOM 1101 CG GLU A 70 -3.101 13.839 10.454 1.00 10.10 C ATOM 1102 CD GLU A 70 -3.437 13.583 11.933 1.00 64.44 C ATOM 1103 OE1 GLU A 70 -4.355 12.779 12.218 1.00 50.41 O ATOM 1104 OE2 GLU A 70 -2.842 14.264 12.811 1.00 22.31 O ATOM 0 H GLU A 70 -3.506 12.868 7.410 1.00 72.14 H new ATOM 0 HA GLU A 70 -5.073 15.295 8.014 1.00 54.54 H new ATOM 0 HB2 GLU A 70 -4.486 15.416 10.168 1.00 23.34 H new ATOM 0 HB3 GLU A 70 -5.159 13.813 9.950 1.00 23.34 H new ATOM 0 HG2 GLU A 70 -2.809 12.904 9.975 1.00 10.10 H new ATOM 0 HG3 GLU A 70 -2.248 14.514 10.381 1.00 10.10 H new ATOM 1111 N ARG A 71 -2.609 16.483 8.203 1.00 62.23 N ATOM 1112 CA ARG A 71 -1.498 17.273 7.695 1.00 61.31 C ATOM 1113 C ARG A 71 -0.729 17.786 8.896 1.00 72.33 C ATOM 1114 O ARG A 71 -1.306 18.533 9.686 1.00 53.21 O ATOM 1115 CB ARG A 71 -2.033 18.417 6.818 1.00 73.44 C ATOM 1116 CG ARG A 71 -1.083 18.583 5.636 1.00 31.02 C ATOM 1117 CD ARG A 71 -1.254 19.908 4.896 1.00 45.43 C ATOM 1118 NE ARG A 71 -2.574 20.024 4.275 1.00 44.14 N ATOM 1119 CZ ARG A 71 -2.989 21.041 3.519 1.00 23.41 C ATOM 1120 NH1 ARG A 71 -2.150 22.003 3.165 1.00 61.32 N ATOM 1121 NH2 ARG A 71 -4.251 21.086 3.125 1.00 22.00 N ATOM 0 H ARG A 71 -3.050 16.884 9.030 1.00 62.23 H new ATOM 0 HA ARG A 71 -0.834 16.680 7.067 1.00 61.31 H new ATOM 0 HB2 ARG A 71 -3.041 18.191 6.469 1.00 73.44 H new ATOM 0 HB3 ARG A 71 -2.094 19.342 7.392 1.00 73.44 H new ATOM 0 HG2 ARG A 71 -0.056 18.505 5.992 1.00 31.02 H new ATOM 0 HG3 ARG A 71 -1.240 17.762 4.936 1.00 31.02 H new ATOM 0 HD2 ARG A 71 -1.107 20.734 5.593 1.00 45.43 H new ATOM 0 HD3 ARG A 71 -0.484 19.997 4.130 1.00 45.43 H new ATOM 0 HE ARG A 71 -3.233 19.262 4.434 1.00 44.14 H new ATOM 0 HH11 ARG A 71 -1.178 21.970 3.471 1.00 61.32 H new ATOM 0 HH12 ARG A 71 -2.476 22.777 2.586 1.00 61.32 H new ATOM 0 HH21 ARG A 71 -4.898 20.347 3.400 1.00 22.00 H new ATOM 0 HH22 ARG A 71 -4.577 21.860 2.547 1.00 22.00 H new ATOM 1135 N ILE A 72 0.515 17.360 9.074 1.00 22.34 N ATOM 1136 CA ILE A 72 1.270 17.606 10.289 1.00 73.22 C ATOM 1137 C ILE A 72 2.385 18.591 9.958 1.00 54.23 C ATOM 1138 O ILE A 72 3.405 18.263 9.361 1.00 71.31 O ATOM 1139 CB ILE A 72 1.774 16.291 10.915 1.00 33.04 C ATOM 1140 CG1 ILE A 72 0.661 15.240 11.154 1.00 72.01 C ATOM 1141 CG2 ILE A 72 2.424 16.617 12.269 1.00 5.12 C ATOM 1142 CD1 ILE A 72 0.307 14.368 9.949 1.00 61.25 C ATOM 0 H ILE A 72 1.030 16.830 8.371 1.00 22.34 H new ATOM 0 HA ILE A 72 0.634 18.051 11.054 1.00 73.22 H new ATOM 0 HB ILE A 72 2.476 15.854 10.205 1.00 33.04 H new ATOM 0 HG12 ILE A 72 0.970 14.590 11.972 1.00 72.01 H new ATOM 0 HG13 ILE A 72 -0.240 15.759 11.482 1.00 72.01 H new ATOM 0 HG21 ILE A 72 2.788 15.698 12.729 1.00 5.12 H new ATOM 0 HG22 ILE A 72 3.259 17.301 12.117 1.00 5.12 H new ATOM 0 HG23 ILE A 72 1.687 17.083 12.923 1.00 5.12 H new ATOM 0 HD11 ILE A 72 -0.482 13.668 10.225 1.00 61.25 H new ATOM 0 HD12 ILE A 72 -0.039 15.000 9.131 1.00 61.25 H new ATOM 0 HD13 ILE A 72 1.189 13.813 9.630 1.00 61.25 H new ATOM 1154 N THR A 73 2.167 19.837 10.348 1.00 25.24 N ATOM 1155 CA THR A 73 3.108 20.918 10.395 1.00 3.30 C ATOM 1156 C THR A 73 4.156 20.609 11.471 1.00 62.22 C ATOM 1157 O THR A 73 3.887 20.767 12.664 1.00 73.41 O ATOM 1158 CB THR A 73 2.292 22.199 10.704 1.00 21.43 C ATOM 1159 OG1 THR A 73 0.884 22.066 10.502 1.00 34.21 O ATOM 1160 CG2 THR A 73 2.690 23.259 9.711 1.00 21.03 C ATOM 0 H THR A 73 1.243 20.131 10.665 1.00 25.24 H new ATOM 0 HA THR A 73 3.647 21.057 9.458 1.00 3.30 H new ATOM 0 HB THR A 73 2.496 22.425 11.751 1.00 21.43 H new ATOM 0 HG1 THR A 73 0.441 22.913 10.719 1.00 34.21 H new ATOM 0 HG21 THR A 73 2.128 24.172 9.908 1.00 21.03 H new ATOM 0 HG22 THR A 73 3.757 23.462 9.804 1.00 21.03 H new ATOM 0 HG23 THR A 73 2.474 22.911 8.701 1.00 21.03 H new ATOM 1168 N GLN A 74 5.325 20.117 11.066 1.00 31.14 N ATOM 1169 CA GLN A 74 6.491 19.931 11.909 1.00 12.22 C ATOM 1170 C GLN A 74 7.448 21.065 11.626 1.00 34.23 C ATOM 1171 O GLN A 74 7.904 21.234 10.497 1.00 2.53 O ATOM 1172 CB GLN A 74 7.168 18.587 11.628 1.00 33.23 C ATOM 1173 CG GLN A 74 6.150 17.474 11.863 1.00 25.44 C ATOM 1174 CD GLN A 74 6.736 16.069 11.741 1.00 65.02 C ATOM 1175 OE1 GLN A 74 7.947 15.864 11.754 1.00 24.14 O ATOM 1176 NE2 GLN A 74 5.897 15.055 11.625 1.00 4.52 N ATOM 0 H GLN A 74 5.486 19.827 10.101 1.00 31.14 H new ATOM 0 HA GLN A 74 6.191 19.930 12.957 1.00 12.22 H new ATOM 0 HB2 GLN A 74 7.535 18.555 10.602 1.00 33.23 H new ATOM 0 HB3 GLN A 74 8.032 18.454 12.280 1.00 33.23 H new ATOM 0 HG2 GLN A 74 5.718 17.593 12.857 1.00 25.44 H new ATOM 0 HG3 GLN A 74 5.336 17.582 11.147 1.00 25.44 H new ATOM 0 HE21 GLN A 74 4.891 15.224 11.614 1.00 4.52 H new ATOM 0 HE22 GLN A 74 6.255 14.103 11.546 1.00 4.52 H new ATOM 1185 N GLU A 75 7.756 21.846 12.646 1.00 32.21 N ATOM 1186 CA GLU A 75 8.751 22.914 12.553 1.00 43.33 C ATOM 1187 C GLU A 75 10.083 22.335 12.079 1.00 22.41 C ATOM 1188 O GLU A 75 10.723 22.851 11.167 1.00 11.31 O ATOM 1189 CB GLU A 75 8.895 23.645 13.896 1.00 44.35 C ATOM 1190 CG GLU A 75 7.719 24.604 14.136 1.00 70.33 C ATOM 1191 CD GLU A 75 7.859 25.345 15.467 1.00 71.23 C ATOM 1192 OE1 GLU A 75 8.800 26.157 15.605 1.00 14.41 O ATOM 1193 OE2 GLU A 75 7.053 25.105 16.395 1.00 25.04 O ATOM 0 H GLU A 75 7.325 21.762 13.567 1.00 32.21 H new ATOM 0 HA GLU A 75 8.419 23.651 11.822 1.00 43.33 H new ATOM 0 HB2 GLU A 75 8.945 22.917 14.706 1.00 44.35 H new ATOM 0 HB3 GLU A 75 9.831 24.203 13.911 1.00 44.35 H new ATOM 0 HG2 GLU A 75 7.665 25.326 13.321 1.00 70.33 H new ATOM 0 HG3 GLU A 75 6.784 24.044 14.128 1.00 70.33 H new ATOM 1200 N GLU A 76 10.427 21.192 12.649 1.00 32.22 N ATOM 1201 CA GLU A 76 11.682 20.467 12.470 1.00 72.04 C ATOM 1202 C GLU A 76 11.674 19.553 11.234 1.00 4.14 C ATOM 1203 O GLU A 76 12.604 18.763 11.077 1.00 11.13 O ATOM 1204 CB GLU A 76 11.925 19.623 13.732 1.00 71.44 C ATOM 1205 CG GLU A 76 12.094 20.465 15.003 1.00 12.54 C ATOM 1206 CD GLU A 76 11.637 19.682 16.225 1.00 31.31 C ATOM 1207 OE1 GLU A 76 10.404 19.577 16.442 1.00 41.45 O ATOM 1208 OE2 GLU A 76 12.496 19.205 16.997 1.00 73.13 O ATOM 0 H GLU A 76 9.798 20.711 13.292 1.00 32.22 H new ATOM 0 HA GLU A 76 12.477 21.196 12.313 1.00 72.04 H new ATOM 0 HB2 GLU A 76 11.089 18.937 13.868 1.00 71.44 H new ATOM 0 HB3 GLU A 76 12.817 19.014 13.587 1.00 71.44 H new ATOM 0 HG2 GLU A 76 13.139 20.754 15.119 1.00 12.54 H new ATOM 0 HG3 GLU A 76 11.516 21.385 14.916 1.00 12.54 H new ATOM 1215 N GLY A 77 10.633 19.585 10.393 1.00 63.32 N ATOM 1216 CA GLY A 77 10.481 18.625 9.300 1.00 24.11 C ATOM 1217 C GLY A 77 9.910 19.232 8.027 1.00 42.51 C ATOM 1218 O GLY A 77 10.422 18.964 6.943 1.00 25.31 O ATOM 0 H GLY A 77 9.881 20.271 10.452 1.00 63.32 H new ATOM 0 HA2 GLY A 77 11.453 18.184 9.078 1.00 24.11 H new ATOM 0 HA3 GLY A 77 9.831 17.814 9.628 1.00 24.11 H new ATOM 1222 N GLY A 78 8.863 20.047 8.131 1.00 31.11 N ATOM 1223 CA GLY A 78 8.083 20.513 6.999 1.00 73.23 C ATOM 1224 C GLY A 78 6.616 20.193 7.223 1.00 24.10 C ATOM 1225 O GLY A 78 6.193 19.828 8.326 1.00 5.20 O ATOM 0 H GLY A 78 8.530 20.407 9.026 1.00 31.11 H new ATOM 0 HA2 GLY A 78 8.216 21.587 6.871 1.00 73.23 H new ATOM 0 HA3 GLY A 78 8.433 20.037 6.083 1.00 73.23 H new ATOM 1229 N ILE A 79 5.831 20.274 6.156 1.00 5.43 N ATOM 1230 CA ILE A 79 4.454 19.865 6.148 1.00 54.25 C ATOM 1231 C ILE A 79 4.445 18.397 5.781 1.00 61.43 C ATOM 1232 O ILE A 79 4.496 18.064 4.604 1.00 41.15 O ATOM 1233 CB ILE A 79 3.638 20.836 5.258 1.00 45.25 C ATOM 1234 CG1 ILE A 79 3.655 22.258 5.871 1.00 32.02 C ATOM 1235 CG2 ILE A 79 2.181 20.379 5.052 1.00 4.14 C ATOM 1236 CD1 ILE A 79 3.085 23.343 4.951 1.00 72.11 C ATOM 0 H ILE A 79 6.152 20.636 5.258 1.00 5.43 H new ATOM 0 HA ILE A 79 3.948 19.935 7.111 1.00 54.25 H new ATOM 0 HB ILE A 79 4.116 20.842 4.278 1.00 45.25 H new ATOM 0 HG12 ILE A 79 3.085 22.248 6.800 1.00 32.02 H new ATOM 0 HG13 ILE A 79 4.681 22.518 6.129 1.00 32.02 H new ATOM 0 HG21 ILE A 79 1.660 21.099 4.421 1.00 4.14 H new ATOM 0 HG22 ILE A 79 2.171 19.401 4.571 1.00 4.14 H new ATOM 0 HG23 ILE A 79 1.680 20.314 6.018 1.00 4.14 H new ATOM 0 HD11 ILE A 79 3.133 24.309 5.454 1.00 72.11 H new ATOM 0 HD12 ILE A 79 3.669 23.384 4.031 1.00 72.11 H new ATOM 0 HD13 ILE A 79 2.047 23.109 4.712 1.00 72.11 H new ATOM 1248 N TYR A 80 4.407 17.507 6.776 1.00 71.04 N ATOM 1249 CA TYR A 80 4.114 16.108 6.518 1.00 1.42 C ATOM 1250 C TYR A 80 2.678 16.079 6.003 1.00 25.32 C ATOM 1251 O TYR A 80 1.787 16.735 6.557 1.00 11.14 O ATOM 1252 CB TYR A 80 4.307 15.268 7.783 1.00 61.42 C ATOM 1253 CG TYR A 80 4.733 13.812 7.599 1.00 24.03 C ATOM 1254 CD1 TYR A 80 4.440 13.047 6.447 1.00 13.23 C ATOM 1255 CD2 TYR A 80 5.476 13.214 8.631 1.00 23.23 C ATOM 1256 CE1 TYR A 80 4.906 11.726 6.328 1.00 21.01 C ATOM 1257 CE2 TYR A 80 5.971 11.906 8.514 1.00 65.05 C ATOM 1258 CZ TYR A 80 5.693 11.157 7.354 1.00 2.23 C ATOM 1259 OH TYR A 80 6.213 9.910 7.215 1.00 63.34 O ATOM 0 H TYR A 80 4.575 17.734 7.756 1.00 71.04 H new ATOM 0 HA TYR A 80 4.790 15.672 5.783 1.00 1.42 H new ATOM 0 HB2 TYR A 80 5.053 15.762 8.405 1.00 61.42 H new ATOM 0 HB3 TYR A 80 3.370 15.278 8.340 1.00 61.42 H new ATOM 0 HD1 TYR A 80 3.853 13.481 5.651 1.00 13.23 H new ATOM 0 HD2 TYR A 80 5.670 13.773 9.534 1.00 23.23 H new ATOM 0 HE1 TYR A 80 4.662 11.145 5.451 1.00 21.01 H new ATOM 0 HE2 TYR A 80 6.562 11.476 9.309 1.00 65.05 H new ATOM 0 HH TYR A 80 6.728 9.679 8.016 1.00 63.34 H new ATOM 1269 N VAL A 81 2.473 15.376 4.901 1.00 41.55 N ATOM 1270 CA VAL A 81 1.213 15.239 4.210 1.00 3.32 C ATOM 1271 C VAL A 81 1.020 13.738 3.984 1.00 75.15 C ATOM 1272 O VAL A 81 1.979 12.958 3.937 1.00 14.50 O ATOM 1273 CB VAL A 81 1.288 16.075 2.911 1.00 20.00 C ATOM 1274 CG1 VAL A 81 0.107 15.894 1.955 1.00 0.20 C ATOM 1275 CG2 VAL A 81 1.386 17.577 3.180 1.00 33.44 C ATOM 0 H VAL A 81 3.225 14.860 4.445 1.00 41.55 H new ATOM 0 HA VAL A 81 0.351 15.614 4.762 1.00 3.32 H new ATOM 0 HB VAL A 81 2.193 15.688 2.443 1.00 20.00 H new ATOM 0 HG11 VAL A 81 0.252 16.521 1.075 1.00 0.20 H new ATOM 0 HG12 VAL A 81 0.043 14.850 1.650 1.00 0.20 H new ATOM 0 HG13 VAL A 81 -0.816 16.183 2.458 1.00 0.20 H new ATOM 0 HG21 VAL A 81 1.436 18.114 2.233 1.00 33.44 H new ATOM 0 HG22 VAL A 81 0.508 17.905 3.737 1.00 33.44 H new ATOM 0 HG23 VAL A 81 2.284 17.785 3.762 1.00 33.44 H new ATOM 1285 N SER A 82 -0.244 13.351 3.881 1.00 74.43 N ATOM 1286 CA SER A 82 -0.719 12.073 3.398 1.00 34.00 C ATOM 1287 C SER A 82 -2.189 12.288 3.057 1.00 1.51 C ATOM 1288 O SER A 82 -2.995 12.556 3.957 1.00 54.31 O ATOM 1289 CB SER A 82 -0.527 11.001 4.484 1.00 43.32 C ATOM 1290 OG SER A 82 -0.958 9.717 4.067 1.00 42.21 O ATOM 0 H SER A 82 -1.011 13.966 4.152 1.00 74.43 H new ATOM 0 HA SER A 82 -0.171 11.722 2.523 1.00 34.00 H new ATOM 0 HB2 SER A 82 0.526 10.954 4.760 1.00 43.32 H new ATOM 0 HB3 SER A 82 -1.078 11.292 5.378 1.00 43.32 H new ATOM 0 HG SER A 82 -0.944 9.669 3.088 1.00 42.21 H new ATOM 1296 N LYS A 83 -2.559 12.311 1.778 1.00 1.52 N ATOM 1297 CA LYS A 83 -3.965 12.356 1.373 1.00 51.23 C ATOM 1298 C LYS A 83 -4.149 11.632 0.048 1.00 44.52 C ATOM 1299 O LYS A 83 -3.227 11.001 -0.472 1.00 12.11 O ATOM 1300 CB LYS A 83 -4.518 13.800 1.377 1.00 40.11 C ATOM 1301 CG LYS A 83 -3.729 14.789 0.508 1.00 14.33 C ATOM 1302 CD LYS A 83 -4.342 16.205 0.534 1.00 64.02 C ATOM 1303 CE LYS A 83 -3.395 17.242 1.158 1.00 54.25 C ATOM 1304 NZ LYS A 83 -2.271 17.585 0.260 1.00 74.32 N ATOM 0 H LYS A 83 -1.901 12.299 0.999 1.00 1.52 H new ATOM 0 HA LYS A 83 -4.566 11.824 2.111 1.00 51.23 H new ATOM 0 HB2 LYS A 83 -5.552 13.780 1.034 1.00 40.11 H new ATOM 0 HB3 LYS A 83 -4.530 14.168 2.403 1.00 40.11 H new ATOM 0 HG2 LYS A 83 -2.698 14.835 0.858 1.00 14.33 H new ATOM 0 HG3 LYS A 83 -3.701 14.426 -0.519 1.00 14.33 H new ATOM 0 HD2 LYS A 83 -4.590 16.509 -0.483 1.00 64.02 H new ATOM 0 HD3 LYS A 83 -5.275 16.184 1.097 1.00 64.02 H new ATOM 0 HE2 LYS A 83 -3.956 18.146 1.397 1.00 54.25 H new ATOM 0 HE3 LYS A 83 -3.002 16.853 2.097 1.00 54.25 H new ATOM 0 HZ1 LYS A 83 -1.659 18.287 0.722 1.00 74.32 H new ATOM 0 HZ2 LYS A 83 -1.719 16.728 0.052 1.00 74.32 H new ATOM 0 HZ3 LYS A 83 -2.643 17.981 -0.627 1.00 74.32 H new ATOM 1318 N PHE A 84 -5.376 11.652 -0.469 1.00 41.43 N ATOM 1319 CA PHE A 84 -5.618 11.200 -1.826 1.00 24.33 C ATOM 1320 C PHE A 84 -5.062 12.241 -2.799 1.00 42.11 C ATOM 1321 O PHE A 84 -5.290 13.442 -2.617 1.00 23.32 O ATOM 1322 CB PHE A 84 -7.107 10.904 -2.059 1.00 61.02 C ATOM 1323 CG PHE A 84 -8.055 12.060 -1.804 1.00 14.21 C ATOM 1324 CD1 PHE A 84 -8.341 12.980 -2.831 1.00 12.23 C ATOM 1325 CD2 PHE A 84 -8.660 12.216 -0.541 1.00 61.22 C ATOM 1326 CE1 PHE A 84 -9.215 14.055 -2.596 1.00 12.10 C ATOM 1327 CE2 PHE A 84 -9.532 13.293 -0.305 1.00 22.22 C ATOM 1328 CZ PHE A 84 -9.811 14.211 -1.332 1.00 21.01 C ATOM 0 H PHE A 84 -6.206 11.974 0.029 1.00 41.43 H new ATOM 0 HA PHE A 84 -5.100 10.257 -2.000 1.00 24.33 H new ATOM 0 HB2 PHE A 84 -7.236 10.573 -3.090 1.00 61.02 H new ATOM 0 HB3 PHE A 84 -7.398 10.072 -1.418 1.00 61.02 H new ATOM 0 HD1 PHE A 84 -7.887 12.859 -3.803 1.00 12.23 H new ATOM 0 HD2 PHE A 84 -8.453 11.507 0.247 1.00 61.22 H new ATOM 0 HE1 PHE A 84 -9.429 14.761 -3.385 1.00 12.10 H new ATOM 0 HE2 PHE A 84 -9.988 13.415 0.666 1.00 22.22 H new ATOM 0 HZ PHE A 84 -10.483 15.036 -1.150 1.00 21.01 H new ATOM 1338 N THR A 85 -4.346 11.798 -3.830 1.00 35.11 N ATOM 1339 CA THR A 85 -4.011 12.632 -4.986 1.00 0.43 C ATOM 1340 C THR A 85 -5.092 12.557 -6.076 1.00 62.43 C ATOM 1341 O THR A 85 -5.183 13.469 -6.900 1.00 33.52 O ATOM 1342 CB THR A 85 -2.614 12.264 -5.514 1.00 4.13 C ATOM 1343 OG1 THR A 85 -2.437 10.865 -5.516 1.00 41.31 O ATOM 1344 CG2 THR A 85 -1.525 12.857 -4.617 1.00 51.23 C ATOM 0 H THR A 85 -3.980 10.848 -3.889 1.00 35.11 H new ATOM 0 HA THR A 85 -3.982 13.674 -4.667 1.00 0.43 H new ATOM 0 HB THR A 85 -2.536 12.662 -6.526 1.00 4.13 H new ATOM 0 HG1 THR A 85 -1.544 10.649 -5.856 1.00 41.31 H new ATOM 0 HG21 THR A 85 -0.544 12.585 -5.007 1.00 51.23 H new ATOM 0 HG22 THR A 85 -1.620 13.943 -4.598 1.00 51.23 H new ATOM 0 HG23 THR A 85 -1.634 12.466 -3.605 1.00 51.23 H new ATOM 1352 N LEU A 86 -5.968 11.538 -6.078 1.00 24.51 N ATOM 1353 CA LEU A 86 -7.056 11.434 -7.054 1.00 63.41 C ATOM 1354 C LEU A 86 -8.299 10.862 -6.383 1.00 22.10 C ATOM 1355 O LEU A 86 -8.222 9.851 -5.680 1.00 64.11 O ATOM 1356 CB LEU A 86 -6.632 10.533 -8.230 1.00 14.20 C ATOM 1357 CG LEU A 86 -7.345 10.707 -9.600 1.00 34.11 C ATOM 1358 CD1 LEU A 86 -7.495 9.352 -10.281 1.00 74.53 C ATOM 1359 CD2 LEU A 86 -8.574 11.605 -9.637 1.00 0.33 C ATOM 0 H LEU A 86 -5.939 10.771 -5.407 1.00 24.51 H new ATOM 0 HA LEU A 86 -7.282 12.429 -7.438 1.00 63.41 H new ATOM 0 HB2 LEU A 86 -5.564 10.682 -8.392 1.00 14.20 H new ATOM 0 HB3 LEU A 86 -6.765 9.497 -7.917 1.00 14.20 H new ATOM 0 HG LEU A 86 -6.680 11.319 -10.210 1.00 34.11 H new ATOM 0 HD11 LEU A 86 -7.995 9.481 -11.241 1.00 74.53 H new ATOM 0 HD12 LEU A 86 -6.510 8.914 -10.441 1.00 74.53 H new ATOM 0 HD13 LEU A 86 -8.087 8.691 -9.649 1.00 74.53 H new ATOM 0 HD21 LEU A 86 -8.971 11.637 -10.652 1.00 0.33 H new ATOM 0 HD22 LEU A 86 -9.334 11.210 -8.963 1.00 0.33 H new ATOM 0 HD23 LEU A 86 -8.299 12.612 -9.323 1.00 0.33 H new ATOM 1371 N ASN A 87 -9.449 11.479 -6.644 1.00 60.44 N ATOM 1372 CA ASN A 87 -10.761 11.111 -6.128 1.00 35.24 C ATOM 1373 C ASN A 87 -11.708 10.827 -7.297 1.00 22.41 C ATOM 1374 O ASN A 87 -12.657 11.570 -7.562 1.00 3.20 O ATOM 1375 CB ASN A 87 -11.253 12.236 -5.220 1.00 34.50 C ATOM 1376 CG ASN A 87 -12.586 11.966 -4.547 1.00 41.51 C ATOM 1377 OD1 ASN A 87 -13.152 10.873 -4.557 1.00 42.51 O ATOM 1378 ND2 ASN A 87 -13.113 13.015 -3.943 1.00 53.52 N ATOM 0 H ASN A 87 -9.490 12.294 -7.256 1.00 60.44 H new ATOM 0 HA ASN A 87 -10.715 10.198 -5.534 1.00 35.24 H new ATOM 0 HB2 ASN A 87 -10.503 12.419 -4.451 1.00 34.50 H new ATOM 0 HB3 ASN A 87 -11.336 13.150 -5.808 1.00 34.50 H new ATOM 0 HD21 ASN A 87 -14.012 12.932 -3.468 1.00 53.52 H new ATOM 0 HD22 ASN A 87 -12.621 13.909 -3.951 1.00 53.52 H new ATOM 1385 N GLU A 88 -11.371 9.789 -8.057 1.00 75.31 N ATOM 1386 CA GLU A 88 -12.168 9.241 -9.152 1.00 54.01 C ATOM 1387 C GLU A 88 -13.225 8.292 -8.560 1.00 41.14 C ATOM 1388 O GLU A 88 -13.133 7.905 -7.385 1.00 51.30 O ATOM 1389 CB GLU A 88 -11.216 8.515 -10.124 1.00 43.12 C ATOM 1390 CG GLU A 88 -10.655 9.429 -11.229 1.00 43.44 C ATOM 1391 CD GLU A 88 -11.571 9.601 -12.436 1.00 63.55 C ATOM 1392 OE1 GLU A 88 -12.677 10.170 -12.308 1.00 71.31 O ATOM 1393 OE2 GLU A 88 -11.190 9.126 -13.527 1.00 24.13 O ATOM 0 H GLU A 88 -10.496 9.284 -7.921 1.00 75.31 H new ATOM 0 HA GLU A 88 -12.690 10.022 -9.705 1.00 54.01 H new ATOM 0 HB2 GLU A 88 -10.387 8.090 -9.559 1.00 43.12 H new ATOM 0 HB3 GLU A 88 -11.746 7.682 -10.586 1.00 43.12 H new ATOM 0 HG2 GLU A 88 -10.451 10.411 -10.802 1.00 43.44 H new ATOM 0 HG3 GLU A 88 -9.701 9.024 -11.568 1.00 43.44 H new ATOM 1400 N PRO A 89 -14.245 7.909 -9.347 1.00 31.15 N ATOM 1401 CA PRO A 89 -15.324 7.054 -8.878 1.00 44.03 C ATOM 1402 C PRO A 89 -14.889 5.605 -8.752 1.00 40.00 C ATOM 1403 O PRO A 89 -15.320 4.901 -7.834 1.00 23.12 O ATOM 1404 CB PRO A 89 -16.410 7.146 -9.943 1.00 54.42 C ATOM 1405 CG PRO A 89 -15.688 7.551 -11.217 1.00 4.44 C ATOM 1406 CD PRO A 89 -14.468 8.313 -10.727 1.00 55.30 C ATOM 0 HA PRO A 89 -15.656 7.376 -7.891 1.00 44.03 H new ATOM 0 HB2 PRO A 89 -16.921 6.191 -10.067 1.00 54.42 H new ATOM 0 HB3 PRO A 89 -17.168 7.880 -9.670 1.00 54.42 H new ATOM 0 HG2 PRO A 89 -15.403 6.680 -11.807 1.00 4.44 H new ATOM 0 HG3 PRO A 89 -16.319 8.174 -11.851 1.00 4.44 H new ATOM 0 HD2 PRO A 89 -13.597 8.085 -11.342 1.00 55.30 H new ATOM 0 HD3 PRO A 89 -14.632 9.389 -10.793 1.00 55.30 H new ATOM 1414 N LYS A 90 -14.094 5.163 -9.723 1.00 35.52 N ATOM 1415 CA LYS A 90 -13.633 3.807 -9.949 1.00 24.45 C ATOM 1416 C LYS A 90 -12.106 3.907 -10.105 1.00 32.52 C ATOM 1417 O LYS A 90 -11.550 3.487 -11.115 1.00 14.21 O ATOM 1418 CB LYS A 90 -14.391 3.216 -11.173 1.00 0.12 C ATOM 1419 CG LYS A 90 -15.049 1.846 -10.950 1.00 51.13 C ATOM 1420 CD LYS A 90 -16.545 1.883 -10.610 1.00 34.45 C ATOM 1421 CE LYS A 90 -16.807 2.374 -9.182 1.00 34.52 C ATOM 1422 NZ LYS A 90 -18.105 1.895 -8.665 1.00 71.54 N ATOM 0 H LYS A 90 -13.728 5.803 -10.428 1.00 35.52 H new ATOM 0 HA LYS A 90 -13.842 3.115 -9.133 1.00 24.45 H new ATOM 0 HB2 LYS A 90 -15.162 3.924 -11.476 1.00 0.12 H new ATOM 0 HB3 LYS A 90 -13.691 3.132 -12.004 1.00 0.12 H new ATOM 0 HG2 LYS A 90 -14.913 1.245 -11.849 1.00 51.13 H new ATOM 0 HG3 LYS A 90 -14.523 1.336 -10.143 1.00 51.13 H new ATOM 0 HD2 LYS A 90 -17.059 2.535 -11.316 1.00 34.45 H new ATOM 0 HD3 LYS A 90 -16.967 0.886 -10.732 1.00 34.45 H new ATOM 0 HE2 LYS A 90 -16.006 2.030 -8.527 1.00 34.52 H new ATOM 0 HE3 LYS A 90 -16.789 3.464 -9.164 1.00 34.52 H new ATOM 0 HZ1 LYS A 90 -18.245 2.248 -7.697 1.00 71.54 H new ATOM 0 HZ2 LYS A 90 -18.872 2.244 -9.275 1.00 71.54 H new ATOM 0 HZ3 LYS A 90 -18.114 0.855 -8.658 1.00 71.54 H new ATOM 1436 N HIS A 91 -11.426 4.560 -9.159 1.00 71.34 N ATOM 1437 CA HIS A 91 -9.975 4.562 -8.953 1.00 53.22 C ATOM 1438 C HIS A 91 -9.720 5.452 -7.730 1.00 1.12 C ATOM 1439 O HIS A 91 -10.506 6.369 -7.470 1.00 12.45 O ATOM 1440 CB HIS A 91 -9.218 5.173 -10.150 1.00 71.40 C ATOM 1441 CG HIS A 91 -7.740 4.908 -10.150 1.00 22.45 C ATOM 1442 ND1 HIS A 91 -6.848 5.495 -11.007 1.00 20.55 N ATOM 1443 CD2 HIS A 91 -7.065 3.940 -9.453 1.00 2.33 C ATOM 1444 CE1 HIS A 91 -5.673 4.880 -10.843 1.00 21.52 C ATOM 1445 NE2 HIS A 91 -5.747 3.931 -9.896 1.00 53.01 N ATOM 0 H HIS A 91 -11.906 5.140 -8.471 1.00 71.34 H new ATOM 0 HA HIS A 91 -9.625 3.537 -8.828 1.00 53.22 H new ATOM 0 HB2 HIS A 91 -9.645 4.781 -11.073 1.00 71.40 H new ATOM 0 HB3 HIS A 91 -9.382 6.251 -10.156 1.00 71.40 H new ATOM 0 HD1 HIS A 91 -7.044 6.261 -11.652 1.00 20.55 H new ATOM 0 HD2 HIS A 91 -7.483 3.297 -8.693 1.00 2.33 H new ATOM 0 HE1 HIS A 91 -4.779 5.116 -11.401 1.00 21.52 H new ATOM 1453 N LYS A 92 -8.634 5.244 -6.982 1.00 21.32 N ATOM 1454 CA LYS A 92 -8.295 6.103 -5.855 1.00 11.13 C ATOM 1455 C LYS A 92 -6.817 5.973 -5.537 1.00 11.03 C ATOM 1456 O LYS A 92 -6.369 4.873 -5.207 1.00 53.10 O ATOM 1457 CB LYS A 92 -9.186 5.704 -4.660 1.00 61.02 C ATOM 1458 CG LYS A 92 -9.407 6.870 -3.691 1.00 2.32 C ATOM 1459 CD LYS A 92 -10.743 6.734 -2.944 1.00 12.11 C ATOM 1460 CE LYS A 92 -12.006 6.857 -3.823 1.00 51.12 C ATOM 1461 NZ LYS A 92 -12.016 8.055 -4.692 1.00 22.41 N ATOM 0 H LYS A 92 -7.974 4.483 -7.141 1.00 21.32 H new ATOM 0 HA LYS A 92 -8.479 7.151 -6.091 1.00 11.13 H new ATOM 0 HB2 LYS A 92 -10.150 5.352 -5.028 1.00 61.02 H new ATOM 0 HB3 LYS A 92 -8.725 4.872 -4.127 1.00 61.02 H new ATOM 0 HG2 LYS A 92 -8.589 6.907 -2.972 1.00 2.32 H new ATOM 0 HG3 LYS A 92 -9.391 7.811 -4.242 1.00 2.32 H new ATOM 0 HD2 LYS A 92 -10.763 5.767 -2.442 1.00 12.11 H new ATOM 0 HD3 LYS A 92 -10.785 7.497 -2.167 1.00 12.11 H new ATOM 0 HE2 LYS A 92 -12.091 5.967 -4.446 1.00 51.12 H new ATOM 0 HE3 LYS A 92 -12.885 6.880 -3.179 1.00 51.12 H new ATOM 0 HZ1 LYS A 92 -12.759 7.955 -5.413 1.00 22.41 H new ATOM 0 HZ2 LYS A 92 -12.204 8.900 -4.116 1.00 22.41 H new ATOM 0 HZ3 LYS A 92 -11.092 8.153 -5.159 1.00 22.41 H new ATOM 1475 N ILE A 93 -6.061 7.066 -5.621 1.00 43.13 N ATOM 1476 CA ILE A 93 -4.639 7.088 -5.294 1.00 44.14 C ATOM 1477 C ILE A 93 -4.491 7.814 -3.962 1.00 35.41 C ATOM 1478 O ILE A 93 -5.049 8.899 -3.806 1.00 63.02 O ATOM 1479 CB ILE A 93 -3.856 7.769 -6.439 1.00 32.51 C ATOM 1480 CG1 ILE A 93 -4.000 6.970 -7.754 1.00 22.52 C ATOM 1481 CG2 ILE A 93 -2.356 7.905 -6.138 1.00 40.11 C ATOM 1482 CD1 ILE A 93 -4.907 7.624 -8.774 1.00 75.51 C ATOM 0 H ILE A 93 -6.424 7.971 -5.922 1.00 43.13 H new ATOM 0 HA ILE A 93 -4.226 6.084 -5.193 1.00 44.14 H new ATOM 0 HB ILE A 93 -4.288 8.765 -6.538 1.00 32.51 H new ATOM 0 HG12 ILE A 93 -3.012 6.834 -8.195 1.00 22.52 H new ATOM 0 HG13 ILE A 93 -4.386 5.977 -7.524 1.00 22.52 H new ATOM 0 HG21 ILE A 93 -1.859 8.390 -6.978 1.00 40.11 H new ATOM 0 HG22 ILE A 93 -2.218 8.505 -5.239 1.00 40.11 H new ATOM 0 HG23 ILE A 93 -1.925 6.916 -5.983 1.00 40.11 H new ATOM 0 HD11 ILE A 93 -4.956 7.003 -9.668 1.00 75.51 H new ATOM 0 HD12 ILE A 93 -5.907 7.735 -8.354 1.00 75.51 H new ATOM 0 HD13 ILE A 93 -4.512 8.606 -9.036 1.00 75.51 H new ATOM 1494 N PHE A 94 -3.748 7.219 -3.026 1.00 63.34 N ATOM 1495 CA PHE A 94 -3.422 7.720 -1.697 1.00 63.11 C ATOM 1496 C PHE A 94 -1.902 7.702 -1.554 1.00 64.34 C ATOM 1497 O PHE A 94 -1.234 6.767 -2.010 1.00 11.10 O ATOM 1498 CB PHE A 94 -4.112 6.837 -0.642 1.00 4.10 C ATOM 1499 CG PHE A 94 -3.762 7.126 0.809 1.00 61.12 C ATOM 1500 CD1 PHE A 94 -4.194 8.321 1.415 1.00 63.31 C ATOM 1501 CD2 PHE A 94 -3.045 6.182 1.573 1.00 52.21 C ATOM 1502 CE1 PHE A 94 -3.900 8.575 2.767 1.00 54.44 C ATOM 1503 CE2 PHE A 94 -2.772 6.427 2.930 1.00 35.23 C ATOM 1504 CZ PHE A 94 -3.202 7.623 3.528 1.00 42.42 C ATOM 0 H PHE A 94 -3.329 6.305 -3.195 1.00 63.34 H new ATOM 0 HA PHE A 94 -3.777 8.740 -1.551 1.00 63.11 H new ATOM 0 HB2 PHE A 94 -5.191 6.940 -0.761 1.00 4.10 H new ATOM 0 HB3 PHE A 94 -3.866 5.796 -0.853 1.00 4.10 H new ATOM 0 HD1 PHE A 94 -4.753 9.045 0.840 1.00 63.31 H new ATOM 0 HD2 PHE A 94 -2.704 5.266 1.113 1.00 52.21 H new ATOM 0 HE1 PHE A 94 -4.212 9.504 3.221 1.00 54.44 H new ATOM 0 HE2 PHE A 94 -2.232 5.696 3.513 1.00 35.23 H new ATOM 0 HZ PHE A 94 -2.996 7.810 4.572 1.00 42.42 H new ATOM 1514 N GLU A 95 -1.334 8.748 -0.970 1.00 41.33 N ATOM 1515 CA GLU A 95 0.110 8.902 -0.814 1.00 34.01 C ATOM 1516 C GLU A 95 0.470 9.370 0.599 1.00 4.50 C ATOM 1517 O GLU A 95 -0.413 9.755 1.370 1.00 41.43 O ATOM 1518 CB GLU A 95 0.631 9.820 -1.936 1.00 35.10 C ATOM 1519 CG GLU A 95 0.006 11.219 -2.037 1.00 34.24 C ATOM 1520 CD GLU A 95 0.403 12.220 -0.951 1.00 71.01 C ATOM 1521 OE1 GLU A 95 1.624 12.454 -0.798 1.00 21.43 O ATOM 1522 OE2 GLU A 95 -0.498 12.836 -0.333 1.00 61.25 O ATOM 0 H GLU A 95 -1.869 9.526 -0.585 1.00 41.33 H new ATOM 0 HA GLU A 95 0.612 7.940 -0.920 1.00 34.01 H new ATOM 0 HB2 GLU A 95 1.707 9.938 -1.805 1.00 35.10 H new ATOM 0 HB3 GLU A 95 0.479 9.311 -2.888 1.00 35.10 H new ATOM 0 HG2 GLU A 95 0.271 11.643 -3.006 1.00 34.24 H new ATOM 0 HG3 GLU A 95 -1.079 11.111 -2.022 1.00 34.24 H new ATOM 1529 N ALA A 96 1.759 9.310 0.947 1.00 61.15 N ATOM 1530 CA ALA A 96 2.350 9.991 2.092 1.00 63.12 C ATOM 1531 C ALA A 96 3.825 10.259 1.787 1.00 73.45 C ATOM 1532 O ALA A 96 4.591 9.306 1.590 1.00 32.31 O ATOM 1533 CB ALA A 96 2.230 9.137 3.360 1.00 44.12 C ATOM 0 H ALA A 96 2.440 8.765 0.417 1.00 61.15 H new ATOM 0 HA ALA A 96 1.820 10.927 2.266 1.00 63.12 H new ATOM 0 HB1 ALA A 96 2.679 9.668 4.200 1.00 44.12 H new ATOM 0 HB2 ALA A 96 1.178 8.946 3.572 1.00 44.12 H new ATOM 0 HB3 ALA A 96 2.748 8.190 3.211 1.00 44.12 H new ATOM 1539 N GLY A 97 4.215 11.533 1.753 1.00 4.22 N ATOM 1540 CA GLY A 97 5.560 11.977 1.411 1.00 75.42 C ATOM 1541 C GLY A 97 5.629 13.483 1.259 1.00 15.54 C ATOM 1542 O GLY A 97 5.807 13.967 0.138 1.00 11.10 O ATOM 0 H GLY A 97 3.584 12.304 1.969 1.00 4.22 H new ATOM 0 HA2 GLY A 97 6.257 11.657 2.185 1.00 75.42 H new ATOM 0 HA3 GLY A 97 5.875 11.502 0.482 1.00 75.42 H new ATOM 1546 N TYR A 98 5.446 14.171 2.393 1.00 21.11 N ATOM 1547 CA TYR A 98 5.475 15.599 2.666 1.00 34.30 C ATOM 1548 C TYR A 98 4.746 16.494 1.651 1.00 32.00 C ATOM 1549 O TYR A 98 4.177 16.035 0.659 1.00 51.34 O ATOM 1550 CB TYR A 98 6.927 15.988 2.942 1.00 71.03 C ATOM 1551 CG TYR A 98 7.333 15.849 4.393 1.00 22.41 C ATOM 1552 CD1 TYR A 98 7.664 14.595 4.940 1.00 61.43 C ATOM 1553 CD2 TYR A 98 7.301 16.985 5.220 1.00 72.45 C ATOM 1554 CE1 TYR A 98 7.937 14.477 6.314 1.00 62.11 C ATOM 1555 CE2 TYR A 98 7.514 16.863 6.599 1.00 25.23 C ATOM 1556 CZ TYR A 98 7.856 15.613 7.149 1.00 72.32 C ATOM 1557 OH TYR A 98 8.074 15.510 8.483 1.00 2.31 O ATOM 0 H TYR A 98 5.247 13.660 3.253 1.00 21.11 H new ATOM 0 HA TYR A 98 4.870 15.792 3.552 1.00 34.30 H new ATOM 0 HB2 TYR A 98 7.582 15.367 2.330 1.00 71.03 H new ATOM 0 HB3 TYR A 98 7.082 17.020 2.629 1.00 71.03 H new ATOM 0 HD1 TYR A 98 7.708 13.723 4.304 1.00 61.43 H new ATOM 0 HD2 TYR A 98 7.111 17.957 4.790 1.00 72.45 H new ATOM 0 HE1 TYR A 98 8.208 13.518 6.731 1.00 62.11 H new ATOM 0 HE2 TYR A 98 7.416 17.727 7.240 1.00 25.23 H new ATOM 0 HH TYR A 98 7.428 14.884 8.873 1.00 2.31 H new ATOM 1567 N GLU A 99 4.713 17.805 1.908 1.00 43.25 N ATOM 1568 CA GLU A 99 4.423 18.743 0.831 1.00 64.11 C ATOM 1569 C GLU A 99 5.614 18.857 -0.139 1.00 34.21 C ATOM 1570 O GLU A 99 5.435 19.181 -1.316 1.00 40.45 O ATOM 1571 CB GLU A 99 4.079 20.116 1.414 1.00 51.43 C ATOM 1572 CG GLU A 99 3.142 20.834 0.447 1.00 35.11 C ATOM 1573 CD GLU A 99 3.188 22.353 0.550 1.00 31.43 C ATOM 1574 OE1 GLU A 99 2.942 22.891 1.650 1.00 31.24 O ATOM 1575 OE2 GLU A 99 3.389 23.020 -0.486 1.00 31.20 O ATOM 0 H GLU A 99 4.878 18.226 2.822 1.00 43.25 H new ATOM 0 HA GLU A 99 3.567 18.368 0.270 1.00 64.11 H new ATOM 0 HB2 GLU A 99 3.604 20.005 2.389 1.00 51.43 H new ATOM 0 HB3 GLU A 99 4.986 20.701 1.566 1.00 51.43 H new ATOM 0 HG2 GLU A 99 3.395 20.542 -0.572 1.00 35.11 H new ATOM 0 HG3 GLU A 99 2.121 20.499 0.630 1.00 35.11 H new ATOM 1582 N GLU A 100 6.829 18.610 0.363 1.00 21.03 N ATOM 1583 CA GLU A 100 8.077 19.037 -0.271 1.00 75.43 C ATOM 1584 C GLU A 100 9.075 17.886 -0.450 1.00 51.25 C ATOM 1585 O GLU A 100 10.007 18.036 -1.239 1.00 23.10 O ATOM 1586 CB GLU A 100 8.660 20.220 0.531 1.00 60.41 C ATOM 1587 CG GLU A 100 7.900 21.528 0.222 1.00 1.12 C ATOM 1588 CD GLU A 100 8.105 22.664 1.231 1.00 13.43 C ATOM 1589 OE1 GLU A 100 8.682 22.456 2.321 1.00 54.42 O ATOM 1590 OE2 GLU A 100 7.572 23.773 0.965 1.00 64.44 O ATOM 0 H GLU A 100 6.973 18.100 1.235 1.00 21.03 H new ATOM 0 HA GLU A 100 7.864 19.372 -1.286 1.00 75.43 H new ATOM 0 HB2 GLU A 100 8.601 20.005 1.598 1.00 60.41 H new ATOM 0 HB3 GLU A 100 9.716 20.343 0.289 1.00 60.41 H new ATOM 0 HG2 GLU A 100 8.205 21.881 -0.763 1.00 1.12 H new ATOM 0 HG3 GLU A 100 6.835 21.304 0.165 1.00 1.12 H new ATOM 1597 N SER A 101 8.847 16.715 0.150 1.00 31.23 N ATOM 1598 CA SER A 101 9.731 15.553 0.051 1.00 34.01 C ATOM 1599 C SER A 101 9.163 14.539 -0.959 1.00 21.43 C ATOM 1600 O SER A 101 8.342 14.901 -1.814 1.00 52.32 O ATOM 1601 CB SER A 101 9.974 14.978 1.459 1.00 35.14 C ATOM 1602 OG SER A 101 11.252 14.396 1.577 1.00 53.44 O ATOM 0 H SER A 101 8.025 16.546 0.730 1.00 31.23 H new ATOM 0 HA SER A 101 10.708 15.838 -0.340 1.00 34.01 H new ATOM 0 HB2 SER A 101 9.867 15.772 2.198 1.00 35.14 H new ATOM 0 HB3 SER A 101 9.213 14.230 1.682 1.00 35.14 H new ATOM 0 HG SER A 101 11.369 14.044 2.484 1.00 53.44 H new ATOM 1608 N GLU A 102 9.646 13.298 -0.874 1.00 12.24 N ATOM 1609 CA GLU A 102 9.247 12.136 -1.660 1.00 23.44 C ATOM 1610 C GLU A 102 8.437 11.194 -0.766 1.00 40.12 C ATOM 1611 O GLU A 102 8.431 11.326 0.462 1.00 52.42 O ATOM 1612 CB GLU A 102 10.463 11.427 -2.260 1.00 14.14 C ATOM 1613 CG GLU A 102 10.825 11.941 -3.658 1.00 23.41 C ATOM 1614 CD GLU A 102 11.992 11.155 -4.274 1.00 35.14 C ATOM 1615 OE1 GLU A 102 13.144 11.318 -3.828 1.00 41.44 O ATOM 1616 OE2 GLU A 102 11.749 10.352 -5.214 1.00 15.12 O ATOM 0 H GLU A 102 10.379 13.065 -0.204 1.00 12.24 H new ATOM 0 HA GLU A 102 8.629 12.459 -2.498 1.00 23.44 H new ATOM 0 HB2 GLU A 102 11.318 11.560 -1.597 1.00 14.14 H new ATOM 0 HB3 GLU A 102 10.264 10.357 -2.313 1.00 14.14 H new ATOM 0 HG2 GLU A 102 9.954 11.867 -4.309 1.00 23.41 H new ATOM 0 HG3 GLU A 102 11.090 12.997 -3.599 1.00 23.41 H new ATOM 1623 N VAL A 103 7.748 10.243 -1.392 1.00 74.33 N ATOM 1624 CA VAL A 103 6.923 9.263 -0.716 1.00 72.31 C ATOM 1625 C VAL A 103 7.738 8.225 0.027 1.00 14.43 C ATOM 1626 O VAL A 103 8.773 7.765 -0.439 1.00 2.32 O ATOM 1627 CB VAL A 103 5.941 8.590 -1.683 1.00 44.35 C ATOM 1628 CG1 VAL A 103 4.821 9.569 -2.040 1.00 21.14 C ATOM 1629 CG2 VAL A 103 6.627 8.046 -2.946 1.00 23.21 C ATOM 0 H VAL A 103 7.752 10.136 -2.406 1.00 74.33 H new ATOM 0 HA VAL A 103 6.349 9.813 0.029 1.00 72.31 H new ATOM 0 HB VAL A 103 5.517 7.724 -1.175 1.00 44.35 H new ATOM 0 HG11 VAL A 103 4.124 9.089 -2.727 1.00 21.14 H new ATOM 0 HG12 VAL A 103 4.292 9.863 -1.133 1.00 21.14 H new ATOM 0 HG13 VAL A 103 5.248 10.453 -2.514 1.00 21.14 H new ATOM 0 HG21 VAL A 103 5.883 7.581 -3.593 1.00 23.21 H new ATOM 0 HG22 VAL A 103 7.110 8.865 -3.479 1.00 23.21 H new ATOM 0 HG23 VAL A 103 7.375 7.306 -2.663 1.00 23.21 H new ATOM 1639 N ASP A 104 7.154 7.766 1.129 1.00 62.12 N ATOM 1640 CA ASP A 104 7.602 6.610 1.902 1.00 64.11 C ATOM 1641 C ASP A 104 6.435 5.650 2.155 1.00 71.34 C ATOM 1642 O ASP A 104 6.546 4.681 2.907 1.00 33.34 O ATOM 1643 CB ASP A 104 8.240 7.122 3.203 1.00 41.54 C ATOM 1644 CG ASP A 104 9.393 6.266 3.739 1.00 74.14 C ATOM 1645 OD1 ASP A 104 9.984 5.468 2.993 1.00 35.11 O ATOM 1646 OD2 ASP A 104 9.814 6.474 4.907 1.00 40.24 O ATOM 0 H ASP A 104 6.323 8.205 1.525 1.00 62.12 H new ATOM 0 HA ASP A 104 8.349 6.040 1.350 1.00 64.11 H new ATOM 0 HB2 ASP A 104 8.606 8.135 3.036 1.00 41.54 H new ATOM 0 HB3 ASP A 104 7.467 7.185 3.969 1.00 41.54 H new ATOM 1651 N LEU A 105 5.283 5.941 1.536 1.00 52.31 N ATOM 1652 CA LEU A 105 4.089 5.105 1.426 1.00 40.55 C ATOM 1653 C LEU A 105 3.325 5.552 0.174 1.00 24.32 C ATOM 1654 O LEU A 105 3.137 6.751 -0.047 1.00 23.14 O ATOM 1655 CB LEU A 105 3.204 5.279 2.677 1.00 42.23 C ATOM 1656 CG LEU A 105 1.939 4.396 2.714 1.00 64.31 C ATOM 1657 CD1 LEU A 105 2.268 2.927 3.009 1.00 42.34 C ATOM 1658 CD2 LEU A 105 0.969 4.912 3.783 1.00 74.14 C ATOM 0 H LEU A 105 5.156 6.836 1.064 1.00 52.31 H new ATOM 0 HA LEU A 105 4.364 4.053 1.351 1.00 40.55 H new ATOM 0 HB2 LEU A 105 3.805 5.063 3.560 1.00 42.23 H new ATOM 0 HB3 LEU A 105 2.901 6.324 2.746 1.00 42.23 H new ATOM 0 HG LEU A 105 1.481 4.452 1.726 1.00 64.31 H new ATOM 0 HD11 LEU A 105 1.347 2.344 3.025 1.00 42.34 H new ATOM 0 HD12 LEU A 105 2.929 2.539 2.234 1.00 42.34 H new ATOM 0 HD13 LEU A 105 2.762 2.852 3.978 1.00 42.34 H new ATOM 0 HD21 LEU A 105 0.079 4.282 3.801 1.00 74.14 H new ATOM 0 HD22 LEU A 105 1.454 4.883 4.759 1.00 74.14 H new ATOM 0 HD23 LEU A 105 0.683 5.938 3.550 1.00 74.14 H new ATOM 1670 N ARG A 106 2.864 4.604 -0.643 1.00 53.41 N ATOM 1671 CA ARG A 106 1.940 4.843 -1.752 1.00 63.01 C ATOM 1672 C ARG A 106 0.997 3.646 -1.793 1.00 3.34 C ATOM 1673 O ARG A 106 1.445 2.507 -1.626 1.00 2.51 O ATOM 1674 CB ARG A 106 2.673 4.904 -3.097 1.00 53.21 C ATOM 1675 CG ARG A 106 3.547 6.119 -3.424 1.00 64.15 C ATOM 1676 CD ARG A 106 2.808 7.246 -4.176 1.00 63.24 C ATOM 1677 NE ARG A 106 3.692 7.978 -5.110 1.00 61.43 N ATOM 1678 CZ ARG A 106 4.181 7.516 -6.273 1.00 71.25 C ATOM 1679 NH1 ARG A 106 3.864 6.316 -6.745 1.00 51.02 N ATOM 1680 NH2 ARG A 106 5.007 8.270 -6.980 1.00 21.34 N ATOM 0 H ARG A 106 3.130 3.624 -0.549 1.00 53.41 H new ATOM 0 HA ARG A 106 1.427 5.792 -1.599 1.00 63.01 H new ATOM 0 HB2 ARG A 106 3.305 4.019 -3.165 1.00 53.21 H new ATOM 0 HB3 ARG A 106 1.922 4.821 -3.883 1.00 53.21 H new ATOM 0 HG2 ARG A 106 3.952 6.522 -2.496 1.00 64.15 H new ATOM 0 HG3 ARG A 106 4.395 5.791 -4.026 1.00 64.15 H new ATOM 0 HD2 ARG A 106 1.971 6.821 -4.730 1.00 63.24 H new ATOM 0 HD3 ARG A 106 2.389 7.946 -3.454 1.00 63.24 H new ATOM 0 HE ARG A 106 3.956 8.927 -4.845 1.00 61.43 H new ATOM 0 HH11 ARG A 106 3.230 5.713 -6.221 1.00 51.02 H new ATOM 0 HH12 ARG A 106 4.254 5.997 -7.632 1.00 51.02 H new ATOM 0 HH21 ARG A 106 5.269 9.196 -6.641 1.00 21.34 H new ATOM 0 HH22 ARG A 106 5.382 7.925 -7.864 1.00 21.34 H new ATOM 1694 N VAL A 107 -0.294 3.900 -1.994 1.00 71.13 N ATOM 1695 CA VAL A 107 -1.343 2.891 -2.067 1.00 60.04 C ATOM 1696 C VAL A 107 -2.341 3.373 -3.121 1.00 51.24 C ATOM 1697 O VAL A 107 -2.714 4.548 -3.144 1.00 54.25 O ATOM 1698 CB VAL A 107 -1.997 2.708 -0.674 1.00 74.13 C ATOM 1699 CG1 VAL A 107 -2.965 1.527 -0.633 1.00 1.33 C ATOM 1700 CG2 VAL A 107 -0.947 2.432 0.410 1.00 33.41 C ATOM 0 H VAL A 107 -0.649 4.849 -2.115 1.00 71.13 H new ATOM 0 HA VAL A 107 -0.953 1.914 -2.352 1.00 60.04 H new ATOM 0 HB VAL A 107 -2.526 3.643 -0.489 1.00 74.13 H new ATOM 0 HG11 VAL A 107 -3.395 1.444 0.365 1.00 1.33 H new ATOM 0 HG12 VAL A 107 -3.762 1.684 -1.360 1.00 1.33 H new ATOM 0 HG13 VAL A 107 -2.429 0.609 -0.875 1.00 1.33 H new ATOM 0 HG21 VAL A 107 -1.442 2.309 1.373 1.00 33.41 H new ATOM 0 HG22 VAL A 107 -0.401 1.521 0.164 1.00 33.41 H new ATOM 0 HG23 VAL A 107 -0.251 3.269 0.464 1.00 33.41 H new ATOM 1710 N GLU A 108 -2.785 2.503 -4.022 1.00 74.34 N ATOM 1711 CA GLU A 108 -3.860 2.801 -4.958 1.00 32.45 C ATOM 1712 C GLU A 108 -4.842 1.645 -4.904 1.00 75.40 C ATOM 1713 O GLU A 108 -4.440 0.476 -4.831 1.00 32.32 O ATOM 1714 CB GLU A 108 -3.386 3.024 -6.402 1.00 2.21 C ATOM 1715 CG GLU A 108 -2.284 4.075 -6.576 1.00 53.13 C ATOM 1716 CD GLU A 108 -2.012 4.457 -8.044 1.00 12.41 C ATOM 1717 OE1 GLU A 108 -2.853 4.193 -8.933 1.00 74.23 O ATOM 1718 OE2 GLU A 108 -0.971 5.089 -8.324 1.00 55.35 O ATOM 0 H GLU A 108 -2.404 1.562 -4.123 1.00 74.34 H new ATOM 0 HA GLU A 108 -4.319 3.743 -4.658 1.00 32.45 H new ATOM 0 HB2 GLU A 108 -3.026 2.075 -6.799 1.00 2.21 H new ATOM 0 HB3 GLU A 108 -4.244 3.318 -7.007 1.00 2.21 H new ATOM 0 HG2 GLU A 108 -2.561 4.972 -6.023 1.00 53.13 H new ATOM 0 HG3 GLU A 108 -1.363 3.698 -6.132 1.00 53.13 H new ATOM 1725 N PHE A 109 -6.127 1.975 -4.951 1.00 23.35 N ATOM 1726 CA PHE A 109 -7.217 1.026 -4.969 1.00 42.44 C ATOM 1727 C PHE A 109 -7.973 1.288 -6.256 1.00 53.14 C ATOM 1728 O PHE A 109 -8.421 2.407 -6.509 1.00 55.23 O ATOM 1729 CB PHE A 109 -8.109 1.193 -3.736 1.00 55.44 C ATOM 1730 CG PHE A 109 -7.394 1.059 -2.403 1.00 51.11 C ATOM 1731 CD1 PHE A 109 -6.797 -0.161 -2.030 1.00 23.42 C ATOM 1732 CD2 PHE A 109 -7.331 2.160 -1.526 1.00 71.43 C ATOM 1733 CE1 PHE A 109 -6.168 -0.282 -0.777 1.00 62.24 C ATOM 1734 CE2 PHE A 109 -6.677 2.045 -0.289 1.00 0.23 C ATOM 1735 CZ PHE A 109 -6.122 0.815 0.098 1.00 3.22 C ATOM 0 H PHE A 109 -6.442 2.945 -4.978 1.00 23.35 H new ATOM 0 HA PHE A 109 -6.858 -0.003 -4.935 1.00 42.44 H new ATOM 0 HB2 PHE A 109 -8.583 2.173 -3.780 1.00 55.44 H new ATOM 0 HB3 PHE A 109 -8.906 0.451 -3.780 1.00 55.44 H new ATOM 0 HD1 PHE A 109 -6.822 -1.003 -2.705 1.00 23.42 H new ATOM 0 HD2 PHE A 109 -7.788 3.097 -1.807 1.00 71.43 H new ATOM 0 HE1 PHE A 109 -5.720 -1.221 -0.488 1.00 62.24 H new ATOM 0 HE2 PHE A 109 -6.601 2.902 0.364 1.00 0.23 H new ATOM 0 HZ PHE A 109 -5.660 0.713 1.069 1.00 3.22 H new ATOM 1745 N GLU A 110 -8.098 0.269 -7.091 1.00 34.43 N ATOM 1746 CA GLU A 110 -8.768 0.372 -8.376 1.00 23.41 C ATOM 1747 C GLU A 110 -9.656 -0.864 -8.473 1.00 21.14 C ATOM 1748 O GLU A 110 -9.253 -1.980 -8.110 1.00 20.13 O ATOM 1749 CB GLU A 110 -7.708 0.522 -9.481 1.00 71.12 C ATOM 1750 CG GLU A 110 -8.167 1.148 -10.812 1.00 1.04 C ATOM 1751 CD GLU A 110 -6.978 1.443 -11.756 1.00 52.40 C ATOM 1752 OE1 GLU A 110 -5.964 0.704 -11.706 1.00 72.12 O ATOM 1753 OE2 GLU A 110 -7.030 2.379 -12.586 1.00 73.30 O ATOM 0 H GLU A 110 -7.733 -0.663 -6.893 1.00 34.43 H new ATOM 0 HA GLU A 110 -9.404 1.250 -8.491 1.00 23.41 H new ATOM 0 HB2 GLU A 110 -6.891 1.126 -9.087 1.00 71.12 H new ATOM 0 HB3 GLU A 110 -7.300 -0.466 -9.695 1.00 71.12 H new ATOM 0 HG2 GLU A 110 -8.865 0.473 -11.308 1.00 1.04 H new ATOM 0 HG3 GLU A 110 -8.707 2.073 -10.610 1.00 1.04 H new ATOM 1760 N LEU A 111 -10.905 -0.651 -8.872 1.00 64.33 N ATOM 1761 CA LEU A 111 -11.845 -1.719 -9.136 1.00 14.34 C ATOM 1762 C LEU A 111 -11.337 -2.488 -10.339 1.00 1.23 C ATOM 1763 O LEU A 111 -10.614 -1.965 -11.187 1.00 32.24 O ATOM 1764 CB LEU A 111 -13.248 -1.145 -9.413 1.00 41.44 C ATOM 1765 CG LEU A 111 -14.370 -2.078 -8.932 1.00 1.41 C ATOM 1766 CD1 LEU A 111 -14.598 -1.833 -7.441 1.00 72.13 C ATOM 1767 CD2 LEU A 111 -15.686 -1.794 -9.649 1.00 32.24 C ATOM 0 H LEU A 111 -11.292 0.281 -9.021 1.00 64.33 H new ATOM 0 HA LEU A 111 -11.926 -2.378 -8.272 1.00 14.34 H new ATOM 0 HB2 LEU A 111 -13.346 -0.179 -8.918 1.00 41.44 H new ATOM 0 HB3 LEU A 111 -13.360 -0.968 -10.483 1.00 41.44 H new ATOM 0 HG LEU A 111 -14.067 -3.104 -9.139 1.00 1.41 H new ATOM 0 HD11 LEU A 111 -15.392 -2.488 -7.082 1.00 72.13 H new ATOM 0 HD12 LEU A 111 -13.679 -2.043 -6.893 1.00 72.13 H new ATOM 0 HD13 LEU A 111 -14.885 -0.794 -7.283 1.00 72.13 H new ATOM 0 HD21 LEU A 111 -16.455 -2.474 -9.282 1.00 32.24 H new ATOM 0 HD22 LEU A 111 -15.990 -0.765 -9.457 1.00 32.24 H new ATOM 0 HD23 LEU A 111 -15.555 -1.940 -10.721 1.00 32.24 H new ATOM 1779 N GLN A 112 -11.722 -3.748 -10.415 1.00 22.24 N ATOM 1780 CA GLN A 112 -11.441 -4.601 -11.545 1.00 73.34 C ATOM 1781 C GLN A 112 -12.779 -5.027 -12.135 1.00 14.42 C ATOM 1782 O GLN A 112 -13.829 -4.799 -11.523 1.00 13.04 O ATOM 1783 CB GLN A 112 -10.552 -5.751 -11.092 1.00 22.32 C ATOM 1784 CG GLN A 112 -9.352 -5.263 -10.270 1.00 75.54 C ATOM 1785 CD GLN A 112 -8.426 -4.322 -11.038 1.00 63.11 C ATOM 1786 OE1 GLN A 112 -8.151 -4.530 -12.214 1.00 64.21 O ATOM 1787 NE2 GLN A 112 -7.889 -3.299 -10.396 1.00 32.51 N ATOM 0 H GLN A 112 -12.249 -4.213 -9.676 1.00 22.24 H new ATOM 0 HA GLN A 112 -10.884 -4.095 -12.334 1.00 73.34 H new ATOM 0 HB2 GLN A 112 -11.139 -6.450 -10.496 1.00 22.32 H new ATOM 0 HB3 GLN A 112 -10.195 -6.298 -11.964 1.00 22.32 H new ATOM 0 HG2 GLN A 112 -9.717 -4.753 -9.378 1.00 75.54 H new ATOM 0 HG3 GLN A 112 -8.779 -6.126 -9.931 1.00 75.54 H new ATOM 0 HE21 GLN A 112 -8.122 -3.132 -9.417 1.00 32.51 H new ATOM 0 HE22 GLN A 112 -7.241 -2.677 -10.879 1.00 32.51 H new ATOM 1796 N ALA A 113 -12.732 -5.666 -13.301 1.00 61.43 N ATOM 1797 CA ALA A 113 -13.897 -6.030 -14.095 1.00 15.01 C ATOM 1798 C ALA A 113 -14.954 -6.770 -13.266 1.00 44.20 C ATOM 1799 O ALA A 113 -16.155 -6.565 -13.440 1.00 60.50 O ATOM 1800 CB ALA A 113 -13.415 -6.894 -15.262 1.00 12.25 C ATOM 0 H ALA A 113 -11.853 -5.953 -13.731 1.00 61.43 H new ATOM 0 HA ALA A 113 -14.381 -5.125 -14.462 1.00 15.01 H new ATOM 0 HB1 ALA A 113 -14.267 -7.183 -15.877 1.00 12.25 H new ATOM 0 HB2 ALA A 113 -12.707 -6.327 -15.867 1.00 12.25 H new ATOM 0 HB3 ALA A 113 -12.926 -7.788 -14.875 1.00 12.25 H new ATOM 1806 N ASP A 114 -14.495 -7.594 -12.326 1.00 14.03 N ATOM 1807 CA ASP A 114 -15.294 -8.495 -11.509 1.00 53.04 C ATOM 1808 C ASP A 114 -16.202 -7.735 -10.536 1.00 15.11 C ATOM 1809 O ASP A 114 -17.139 -8.331 -10.000 1.00 53.02 O ATOM 1810 CB ASP A 114 -14.385 -9.441 -10.707 1.00 40.32 C ATOM 1811 CG ASP A 114 -13.465 -10.320 -11.548 1.00 23.41 C ATOM 1812 OD1 ASP A 114 -12.570 -9.775 -12.235 1.00 12.13 O ATOM 1813 OD2 ASP A 114 -13.579 -11.559 -11.430 1.00 55.03 O ATOM 0 H ASP A 114 -13.501 -7.651 -12.105 1.00 14.03 H new ATOM 0 HA ASP A 114 -15.922 -9.068 -12.191 1.00 53.04 H new ATOM 0 HB2 ASP A 114 -13.773 -8.845 -10.030 1.00 40.32 H new ATOM 0 HB3 ASP A 114 -15.011 -10.084 -10.089 1.00 40.32 H new ATOM 1818 N GLY A 115 -15.962 -6.439 -10.297 1.00 34.14 N ATOM 1819 CA GLY A 115 -16.828 -5.557 -9.515 1.00 72.44 C ATOM 1820 C GLY A 115 -16.282 -5.166 -8.145 1.00 64.21 C ATOM 1821 O GLY A 115 -16.974 -4.486 -7.385 1.00 71.50 O ATOM 0 H GLY A 115 -15.133 -5.964 -10.655 1.00 34.14 H new ATOM 0 HA2 GLY A 115 -17.010 -4.649 -10.090 1.00 72.44 H new ATOM 0 HA3 GLY A 115 -17.792 -6.047 -9.379 1.00 72.44 H new ATOM 1825 N LYS A 116 -15.067 -5.597 -7.794 1.00 72.12 N ATOM 1826 CA LYS A 116 -14.487 -5.442 -6.461 1.00 4.45 C ATOM 1827 C LYS A 116 -13.198 -4.651 -6.545 1.00 71.31 C ATOM 1828 O LYS A 116 -12.499 -4.666 -7.563 1.00 55.31 O ATOM 1829 CB LYS A 116 -14.216 -6.791 -5.768 1.00 64.11 C ATOM 1830 CG LYS A 116 -15.463 -7.659 -5.593 1.00 51.34 C ATOM 1831 CD LYS A 116 -15.746 -8.563 -6.811 1.00 75.21 C ATOM 1832 CE LYS A 116 -17.134 -9.206 -6.796 1.00 3.25 C ATOM 1833 NZ LYS A 116 -17.285 -10.212 -5.729 1.00 63.31 N ATOM 0 H LYS A 116 -14.446 -6.075 -8.447 1.00 72.12 H new ATOM 0 HA LYS A 116 -15.221 -4.907 -5.858 1.00 4.45 H new ATOM 0 HB2 LYS A 116 -13.478 -7.345 -6.349 1.00 64.11 H new ATOM 0 HB3 LYS A 116 -13.775 -6.603 -4.789 1.00 64.11 H new ATOM 0 HG2 LYS A 116 -15.344 -8.281 -4.706 1.00 51.34 H new ATOM 0 HG3 LYS A 116 -16.325 -7.015 -5.418 1.00 51.34 H new ATOM 0 HD2 LYS A 116 -15.639 -7.973 -7.721 1.00 75.21 H new ATOM 0 HD3 LYS A 116 -14.992 -9.349 -6.850 1.00 75.21 H new ATOM 0 HE2 LYS A 116 -17.888 -8.430 -6.667 1.00 3.25 H new ATOM 0 HE3 LYS A 116 -17.323 -9.676 -7.761 1.00 3.25 H new ATOM 0 HZ1 LYS A 116 -18.243 -10.615 -5.765 1.00 63.31 H new ATOM 0 HZ2 LYS A 116 -16.585 -10.969 -5.864 1.00 63.31 H new ATOM 0 HZ3 LYS A 116 -17.133 -9.762 -4.804 1.00 63.31 H new ATOM 1847 N TRP A 117 -12.887 -3.982 -5.447 1.00 64.43 N ATOM 1848 CA TRP A 117 -11.701 -3.149 -5.320 1.00 41.10 C ATOM 1849 C TRP A 117 -10.501 -4.053 -5.084 1.00 1.42 C ATOM 1850 O TRP A 117 -10.587 -4.954 -4.244 1.00 44.14 O ATOM 1851 CB TRP A 117 -11.917 -2.199 -4.148 1.00 51.21 C ATOM 1852 CG TRP A 117 -12.974 -1.164 -4.370 1.00 44.12 C ATOM 1853 CD1 TRP A 117 -14.267 -1.243 -3.980 1.00 51.20 C ATOM 1854 CD2 TRP A 117 -12.843 0.103 -5.078 1.00 15.53 C ATOM 1855 NE1 TRP A 117 -14.959 -0.158 -4.480 1.00 31.35 N ATOM 1856 CE2 TRP A 117 -14.133 0.699 -5.174 1.00 53.51 C ATOM 1857 CE3 TRP A 117 -11.767 0.793 -5.674 1.00 14.11 C ATOM 1858 CZ2 TRP A 117 -14.354 1.888 -5.885 1.00 31.33 C ATOM 1859 CZ3 TRP A 117 -11.965 2.016 -6.340 1.00 61.50 C ATOM 1860 CH2 TRP A 117 -13.256 2.559 -6.450 1.00 32.21 C ATOM 0 H TRP A 117 -13.461 -4.002 -4.604 1.00 64.43 H new ATOM 0 HA TRP A 117 -11.520 -2.563 -6.221 1.00 41.10 H new ATOM 0 HB2 TRP A 117 -12.180 -2.784 -3.267 1.00 51.21 H new ATOM 0 HB3 TRP A 117 -10.976 -1.696 -3.927 1.00 51.21 H new ATOM 0 HD1 TRP A 117 -14.691 -2.030 -3.374 1.00 51.20 H new ATOM 0 HE1 TRP A 117 -15.960 -0.009 -4.351 1.00 31.35 H new ATOM 0 HE3 TRP A 117 -10.773 0.375 -5.618 1.00 14.11 H new ATOM 0 HZ2 TRP A 117 -15.353 2.282 -5.997 1.00 31.33 H new ATOM 0 HZ3 TRP A 117 -11.122 2.539 -6.768 1.00 61.50 H new ATOM 0 HH2 TRP A 117 -13.405 3.494 -6.970 1.00 32.21 H new ATOM 1871 N TYR A 118 -9.406 -3.850 -5.818 1.00 22.11 N ATOM 1872 CA TYR A 118 -8.161 -4.552 -5.578 1.00 75.30 C ATOM 1873 C TYR A 118 -7.120 -3.478 -5.267 1.00 34.34 C ATOM 1874 O TYR A 118 -7.217 -2.335 -5.722 1.00 14.21 O ATOM 1875 CB TYR A 118 -7.772 -5.392 -6.807 1.00 0.23 C ATOM 1876 CG TYR A 118 -8.458 -6.752 -6.936 1.00 55.34 C ATOM 1877 CD1 TYR A 118 -9.862 -6.883 -6.899 1.00 42.12 C ATOM 1878 CD2 TYR A 118 -7.677 -7.911 -7.102 1.00 71.12 C ATOM 1879 CE1 TYR A 118 -10.471 -8.148 -6.972 1.00 12.02 C ATOM 1880 CE2 TYR A 118 -8.273 -9.182 -7.189 1.00 42.11 C ATOM 1881 CZ TYR A 118 -9.678 -9.302 -7.122 1.00 42.02 C ATOM 1882 OH TYR A 118 -10.278 -10.516 -7.240 1.00 24.43 O ATOM 0 H TYR A 118 -9.366 -3.191 -6.596 1.00 22.11 H new ATOM 0 HA TYR A 118 -8.243 -5.253 -4.747 1.00 75.30 H new ATOM 0 HB2 TYR A 118 -7.991 -4.811 -7.703 1.00 0.23 H new ATOM 0 HB3 TYR A 118 -6.694 -5.552 -6.786 1.00 0.23 H new ATOM 0 HD1 TYR A 118 -10.477 -6.000 -6.813 1.00 42.12 H new ATOM 0 HD2 TYR A 118 -6.602 -7.823 -7.164 1.00 71.12 H new ATOM 0 HE1 TYR A 118 -11.546 -8.235 -6.913 1.00 12.02 H new ATOM 0 HE2 TYR A 118 -7.658 -10.062 -7.307 1.00 42.11 H new ATOM 0 HH TYR A 118 -9.594 -11.211 -7.337 1.00 24.43 H new ATOM 1892 N VAL A 119 -6.114 -3.870 -4.501 1.00 23.45 N ATOM 1893 CA VAL A 119 -4.819 -3.246 -4.420 1.00 22.33 C ATOM 1894 C VAL A 119 -4.232 -3.325 -5.822 1.00 62.53 C ATOM 1895 O VAL A 119 -4.075 -4.424 -6.368 1.00 23.22 O ATOM 1896 CB VAL A 119 -3.967 -4.015 -3.380 1.00 32.03 C ATOM 1897 CG1 VAL A 119 -2.473 -3.669 -3.458 1.00 64.23 C ATOM 1898 CG2 VAL A 119 -4.517 -3.815 -1.958 1.00 14.13 C ATOM 0 H VAL A 119 -6.193 -4.680 -3.887 1.00 23.45 H new ATOM 0 HA VAL A 119 -4.857 -2.206 -4.096 1.00 22.33 H new ATOM 0 HB VAL A 119 -4.048 -5.073 -3.631 1.00 32.03 H new ATOM 0 HG11 VAL A 119 -1.928 -4.239 -2.705 1.00 64.23 H new ATOM 0 HG12 VAL A 119 -2.093 -3.919 -4.448 1.00 64.23 H new ATOM 0 HG13 VAL A 119 -2.336 -2.603 -3.276 1.00 64.23 H new ATOM 0 HG21 VAL A 119 -3.900 -4.366 -1.248 1.00 14.13 H new ATOM 0 HG22 VAL A 119 -4.500 -2.754 -1.707 1.00 14.13 H new ATOM 0 HG23 VAL A 119 -5.542 -4.183 -1.909 1.00 14.13 H new ATOM 1908 N VAL A 120 -3.918 -2.165 -6.389 1.00 0.33 N ATOM 1909 CA VAL A 120 -3.201 -2.040 -7.648 1.00 24.45 C ATOM 1910 C VAL A 120 -1.802 -1.450 -7.411 1.00 1.04 C ATOM 1911 O VAL A 120 -1.037 -1.287 -8.356 1.00 73.52 O ATOM 1912 CB VAL A 120 -4.082 -1.257 -8.649 1.00 13.32 C ATOM 1913 CG1 VAL A 120 -4.062 0.254 -8.442 1.00 54.22 C ATOM 1914 CG2 VAL A 120 -3.859 -1.745 -10.072 1.00 64.53 C ATOM 0 H VAL A 120 -4.162 -1.266 -5.974 1.00 0.33 H new ATOM 0 HA VAL A 120 -3.016 -3.015 -8.100 1.00 24.45 H new ATOM 0 HB VAL A 120 -5.124 -1.490 -8.431 1.00 13.32 H new ATOM 0 HG11 VAL A 120 -4.704 0.731 -9.183 1.00 54.22 H new ATOM 0 HG12 VAL A 120 -4.425 0.489 -7.442 1.00 54.22 H new ATOM 0 HG13 VAL A 120 -3.043 0.623 -8.554 1.00 54.22 H new ATOM 0 HG21 VAL A 120 -4.491 -1.177 -10.755 1.00 64.53 H new ATOM 0 HG22 VAL A 120 -2.813 -1.605 -10.345 1.00 64.53 H new ATOM 0 HG23 VAL A 120 -4.113 -2.803 -10.138 1.00 64.53 H new ATOM 1924 N ASP A 121 -1.438 -1.193 -6.150 1.00 4.31 N ATOM 1925 CA ASP A 121 -0.206 -0.521 -5.761 1.00 3.13 C ATOM 1926 C ASP A 121 0.150 -0.874 -4.328 1.00 34.24 C ATOM 1927 O ASP A 121 -0.743 -0.878 -3.474 1.00 74.34 O ATOM 1928 CB ASP A 121 -0.387 0.998 -5.810 1.00 61.40 C ATOM 1929 CG ASP A 121 0.914 1.658 -6.193 1.00 63.33 C ATOM 1930 OD1 ASP A 121 1.451 1.279 -7.250 1.00 63.41 O ATOM 1931 OD2 ASP A 121 1.379 2.554 -5.460 1.00 21.43 O ATOM 0 H ASP A 121 -2.015 -1.458 -5.351 1.00 4.31 H new ATOM 0 HA ASP A 121 0.575 -0.840 -6.451 1.00 3.13 H new ATOM 0 HB2 ASP A 121 -1.162 1.257 -6.531 1.00 61.40 H new ATOM 0 HB3 ASP A 121 -0.719 1.365 -4.839 1.00 61.40 H new ATOM 1936 N CYS A 122 1.419 -1.171 -4.057 1.00 54.40 N ATOM 1937 CA CYS A 122 1.910 -1.487 -2.726 1.00 34.33 C ATOM 1938 C CYS A 122 3.367 -1.031 -2.649 1.00 22.44 C ATOM 1939 O CYS A 122 4.256 -1.760 -3.098 1.00 55.10 O ATOM 1940 CB CYS A 122 1.742 -3.001 -2.498 1.00 43.14 C ATOM 1941 SG CYS A 122 2.104 -3.476 -0.784 1.00 23.24 S ATOM 0 H CYS A 122 2.145 -1.198 -4.773 1.00 54.40 H new ATOM 0 HA CYS A 122 1.355 -0.975 -1.940 1.00 34.33 H new ATOM 0 HB2 CYS A 122 0.722 -3.294 -2.748 1.00 43.14 H new ATOM 0 HB3 CYS A 122 2.404 -3.545 -3.172 1.00 43.14 H new ATOM 0 HG CYS A 122 1.946 -4.759 -0.647 1.00 23.24 H new ATOM 1947 N TYR A 123 3.623 0.161 -2.112 1.00 44.44 N ATOM 1948 CA TYR A 123 4.964 0.711 -1.913 1.00 72.43 C ATOM 1949 C TYR A 123 5.056 1.309 -0.509 1.00 12.51 C ATOM 1950 O TYR A 123 4.039 1.685 0.084 1.00 54.52 O ATOM 1951 CB TYR A 123 5.225 1.731 -3.022 1.00 44.11 C ATOM 1952 CG TYR A 123 6.442 2.625 -2.859 1.00 12.13 C ATOM 1953 CD1 TYR A 123 6.386 3.830 -2.118 1.00 13.32 C ATOM 1954 CD2 TYR A 123 7.643 2.257 -3.490 1.00 62.32 C ATOM 1955 CE1 TYR A 123 7.530 4.627 -1.978 1.00 60.11 C ATOM 1956 CE2 TYR A 123 8.769 3.090 -3.410 1.00 3.11 C ATOM 1957 CZ TYR A 123 8.719 4.277 -2.645 1.00 34.14 C ATOM 1958 OH TYR A 123 9.782 5.113 -2.574 1.00 40.34 O ATOM 0 H TYR A 123 2.884 0.788 -1.795 1.00 44.44 H new ATOM 0 HA TYR A 123 5.735 -0.056 -1.977 1.00 72.43 H new ATOM 0 HB2 TYR A 123 5.324 1.191 -3.964 1.00 44.11 H new ATOM 0 HB3 TYR A 123 4.345 2.368 -3.111 1.00 44.11 H new ATOM 0 HD1 TYR A 123 5.458 4.136 -1.659 1.00 13.32 H new ATOM 0 HD2 TYR A 123 7.699 1.329 -4.039 1.00 62.32 H new ATOM 0 HE1 TYR A 123 7.499 5.511 -1.358 1.00 60.11 H new ATOM 0 HE2 TYR A 123 9.675 2.824 -3.934 1.00 3.11 H new ATOM 0 HH TYR A 123 10.529 4.736 -3.083 1.00 40.34 H new ATOM 1968 N THR A 124 6.266 1.338 0.039 1.00 44.12 N ATOM 1969 CA THR A 124 6.625 1.743 1.391 1.00 53.51 C ATOM 1970 C THR A 124 8.160 1.795 1.427 1.00 2.51 C ATOM 1971 O THR A 124 8.798 1.173 0.570 1.00 75.23 O ATOM 1972 CB THR A 124 6.025 0.742 2.410 1.00 35.04 C ATOM 1973 OG1 THR A 124 6.530 0.948 3.708 1.00 24.10 O ATOM 1974 CG2 THR A 124 6.222 -0.729 2.024 1.00 14.21 C ATOM 0 H THR A 124 7.087 1.055 -0.496 1.00 44.12 H new ATOM 0 HA THR A 124 6.224 2.720 1.662 1.00 53.51 H new ATOM 0 HB THR A 124 4.954 0.946 2.395 1.00 35.04 H new ATOM 0 HG1 THR A 124 6.127 0.299 4.322 1.00 24.10 H new ATOM 0 HG21 THR A 124 5.775 -1.368 2.786 1.00 14.21 H new ATOM 0 HG22 THR A 124 5.743 -0.920 1.064 1.00 14.21 H new ATOM 0 HG23 THR A 124 7.288 -0.946 1.948 1.00 14.21 H new ATOM 1982 N GLY A 125 8.756 2.473 2.413 1.00 71.02 N ATOM 1983 CA GLY A 125 10.202 2.582 2.609 1.00 71.12 C ATOM 1984 C GLY A 125 10.920 1.238 2.628 1.00 34.24 C ATOM 1985 O GLY A 125 12.005 1.113 2.055 1.00 32.22 O ATOM 0 H GLY A 125 8.224 2.979 3.121 1.00 71.02 H new ATOM 0 HA2 GLY A 125 10.622 3.197 1.814 1.00 71.12 H new ATOM 0 HA3 GLY A 125 10.394 3.100 3.548 1.00 71.12 H new ATOM 1989 N TRP A 126 10.245 0.195 3.132 1.00 20.21 N ATOM 1990 CA TRP A 126 10.698 -1.195 3.071 1.00 15.14 C ATOM 1991 C TRP A 126 11.239 -1.557 1.686 1.00 14.30 C ATOM 1992 O TRP A 126 12.228 -2.277 1.569 1.00 44.54 O ATOM 1993 CB TRP A 126 9.528 -2.133 3.375 1.00 32.31 C ATOM 1994 CG TRP A 126 9.291 -2.428 4.821 1.00 73.14 C ATOM 1995 CD1 TRP A 126 8.103 -2.343 5.454 1.00 21.02 C ATOM 1996 CD2 TRP A 126 10.244 -2.889 5.822 1.00 14.32 C ATOM 1997 NE1 TRP A 126 8.252 -2.720 6.773 1.00 22.15 N ATOM 1998 CE2 TRP A 126 9.555 -3.079 7.057 1.00 71.43 C ATOM 1999 CE3 TRP A 126 11.623 -3.173 5.802 1.00 24.34 C ATOM 2000 CZ2 TRP A 126 10.210 -3.533 8.214 1.00 51.22 C ATOM 2001 CZ3 TRP A 126 12.288 -3.601 6.957 1.00 22.31 C ATOM 2002 CH2 TRP A 126 11.591 -3.787 8.163 1.00 72.32 C ATOM 0 H TRP A 126 9.347 0.301 3.604 1.00 20.21 H new ATOM 0 HA TRP A 126 11.495 -1.306 3.806 1.00 15.14 H new ATOM 0 HB2 TRP A 126 8.620 -1.697 2.959 1.00 32.31 H new ATOM 0 HB3 TRP A 126 9.697 -3.075 2.854 1.00 32.31 H new ATOM 0 HD1 TRP A 126 7.176 -2.028 4.998 1.00 21.02 H new ATOM 0 HE1 TRP A 126 7.493 -2.732 7.454 1.00 22.15 H new ATOM 0 HE3 TRP A 126 12.176 -3.059 4.881 1.00 24.34 H new ATOM 0 HZ2 TRP A 126 9.659 -3.685 9.131 1.00 51.22 H new ATOM 0 HZ3 TRP A 126 13.351 -3.791 6.921 1.00 22.31 H new ATOM 0 HH2 TRP A 126 12.114 -4.123 9.046 1.00 72.32 H new ATOM 2013 N TYR A 127 10.612 -1.039 0.627 1.00 23.04 N ATOM 2014 CA TYR A 127 10.952 -1.323 -0.757 1.00 61.13 C ATOM 2015 C TYR A 127 11.271 -0.049 -1.556 1.00 71.35 C ATOM 2016 O TYR A 127 11.467 -0.121 -2.775 1.00 32.54 O ATOM 2017 CB TYR A 127 9.826 -2.174 -1.357 1.00 13.44 C ATOM 2018 CG TYR A 127 9.790 -3.554 -0.727 1.00 71.24 C ATOM 2019 CD1 TYR A 127 10.838 -4.455 -0.997 1.00 42.40 C ATOM 2020 CD2 TYR A 127 8.773 -3.908 0.183 1.00 71.12 C ATOM 2021 CE1 TYR A 127 10.875 -5.703 -0.362 1.00 72.02 C ATOM 2022 CE2 TYR A 127 8.783 -5.173 0.797 1.00 52.12 C ATOM 2023 CZ TYR A 127 9.837 -6.071 0.517 1.00 73.20 C ATOM 2024 OH TYR A 127 9.867 -7.322 1.038 1.00 0.34 O ATOM 0 H TYR A 127 9.830 -0.391 0.719 1.00 23.04 H new ATOM 0 HA TYR A 127 11.879 -1.895 -0.807 1.00 61.13 H new ATOM 0 HB2 TYR A 127 8.869 -1.676 -1.204 1.00 13.44 H new ATOM 0 HB3 TYR A 127 9.969 -2.266 -2.434 1.00 13.44 H new ATOM 0 HD1 TYR A 127 11.615 -4.183 -1.696 1.00 42.40 H new ATOM 0 HD2 TYR A 127 7.984 -3.206 0.409 1.00 71.12 H new ATOM 0 HE1 TYR A 127 11.696 -6.380 -0.545 1.00 72.02 H new ATOM 0 HE2 TYR A 127 7.992 -5.455 1.476 1.00 52.12 H new ATOM 0 HH TYR A 127 9.096 -7.449 1.629 1.00 0.34 H new ATOM 2034 N GLY A 128 11.340 1.105 -0.889 1.00 32.42 N ATOM 2035 CA GLY A 128 11.366 2.434 -1.465 1.00 43.24 C ATOM 2036 C GLY A 128 12.618 3.176 -1.040 1.00 73.22 C ATOM 2037 O GLY A 128 12.633 3.771 0.036 1.00 41.12 O ATOM 0 H GLY A 128 11.381 1.128 0.130 1.00 32.42 H new ATOM 0 HA2 GLY A 128 11.329 2.366 -2.552 1.00 43.24 H new ATOM 0 HA3 GLY A 128 10.483 2.990 -1.150 1.00 43.24 H new ATOM 2041 N TYR A 129 13.642 3.105 -1.896 1.00 13.51 N ATOM 2042 CA TYR A 129 14.954 3.720 -1.744 1.00 3.34 C ATOM 2043 C TYR A 129 15.502 3.524 -0.322 1.00 73.11 C ATOM 2044 O TYR A 129 15.661 4.495 0.418 1.00 40.55 O ATOM 2045 CB TYR A 129 14.912 5.207 -2.151 1.00 62.02 C ATOM 2046 CG TYR A 129 14.923 5.618 -3.617 1.00 15.20 C ATOM 2047 CD1 TYR A 129 14.457 4.799 -4.668 1.00 34.22 C ATOM 2048 CD2 TYR A 129 15.385 6.914 -3.914 1.00 1.10 C ATOM 2049 CE1 TYR A 129 14.389 5.297 -5.985 1.00 32.41 C ATOM 2050 CE2 TYR A 129 15.339 7.410 -5.223 1.00 20.33 C ATOM 2051 CZ TYR A 129 14.809 6.617 -6.257 1.00 43.13 C ATOM 2052 OH TYR A 129 14.674 7.155 -7.497 1.00 24.40 O ATOM 0 H TYR A 129 13.566 2.581 -2.768 1.00 13.51 H new ATOM 0 HA TYR A 129 15.646 3.218 -2.420 1.00 3.34 H new ATOM 0 HB2 TYR A 129 14.014 5.635 -1.706 1.00 62.02 H new ATOM 0 HB3 TYR A 129 15.765 5.692 -1.677 1.00 62.02 H new ATOM 0 HD1 TYR A 129 14.151 3.784 -4.462 1.00 34.22 H new ATOM 0 HD2 TYR A 129 15.780 7.534 -3.123 1.00 1.10 H new ATOM 0 HE1 TYR A 129 14.017 4.671 -6.783 1.00 32.41 H new ATOM 0 HE2 TYR A 129 15.710 8.401 -5.438 1.00 20.33 H new ATOM 0 HH TYR A 129 15.017 8.073 -7.494 1.00 24.40 H new ATOM 2062 N ASP A 130 15.855 2.284 0.038 1.00 54.22 N ATOM 2063 CA ASP A 130 16.610 2.027 1.264 1.00 0.24 C ATOM 2064 C ASP A 130 17.777 1.115 0.920 1.00 74.13 C ATOM 2065 O ASP A 130 18.930 1.544 0.973 1.00 4.54 O ATOM 2066 CB ASP A 130 15.730 1.490 2.412 1.00 20.11 C ATOM 2067 CG ASP A 130 16.477 1.332 3.750 1.00 54.43 C ATOM 2068 OD1 ASP A 130 17.627 1.812 3.894 1.00 74.44 O ATOM 2069 OD2 ASP A 130 15.941 0.652 4.658 1.00 1.24 O ATOM 0 H ASP A 130 15.630 1.448 -0.502 1.00 54.22 H new ATOM 0 HA ASP A 130 16.999 2.968 1.654 1.00 0.24 H new ATOM 0 HB2 ASP A 130 14.886 2.165 2.556 1.00 20.11 H new ATOM 0 HB3 ASP A 130 15.319 0.523 2.120 1.00 20.11 H new ATOM 2074 N LEU A 131 17.530 -0.109 0.443 1.00 32.12 N ATOM 2075 CA LEU A 131 18.567 -1.141 0.494 1.00 0.42 C ATOM 2076 C LEU A 131 19.164 -1.344 -0.898 1.00 54.54 C ATOM 2077 O LEU A 131 18.432 -1.235 -1.889 1.00 14.42 O ATOM 2078 CB LEU A 131 17.995 -2.450 1.066 1.00 62.41 C ATOM 2079 CG LEU A 131 18.272 -2.713 2.566 1.00 22.10 C ATOM 2080 CD1 LEU A 131 19.744 -2.833 2.981 1.00 21.32 C ATOM 2081 CD2 LEU A 131 17.636 -1.657 3.452 1.00 40.55 C ATOM 0 H LEU A 131 16.646 -0.403 0.028 1.00 32.12 H new ATOM 0 HA LEU A 131 19.367 -0.818 1.160 1.00 0.42 H new ATOM 0 HB2 LEU A 131 16.916 -2.450 0.911 1.00 62.41 H new ATOM 0 HB3 LEU A 131 18.400 -3.282 0.491 1.00 62.41 H new ATOM 0 HG LEU A 131 17.821 -3.695 2.709 1.00 22.10 H new ATOM 0 HD11 LEU A 131 19.806 -3.016 4.054 1.00 21.32 H new ATOM 0 HD12 LEU A 131 20.207 -3.661 2.444 1.00 21.32 H new ATOM 0 HD13 LEU A 131 20.266 -1.907 2.741 1.00 21.32 H new ATOM 0 HD21 LEU A 131 17.854 -1.879 4.497 1.00 40.55 H new ATOM 0 HD22 LEU A 131 18.040 -0.677 3.197 1.00 40.55 H new ATOM 0 HD23 LEU A 131 16.557 -1.656 3.299 1.00 40.55 H new ATOM 2093 N PRO A 132 20.469 -1.643 -1.020 1.00 42.33 N ATOM 2094 CA PRO A 132 21.102 -1.825 -2.313 1.00 63.25 C ATOM 2095 C PRO A 132 20.597 -3.087 -3.005 1.00 33.23 C ATOM 2096 O PRO A 132 19.996 -3.983 -2.402 1.00 44.41 O ATOM 2097 CB PRO A 132 22.609 -1.899 -2.030 1.00 1.14 C ATOM 2098 CG PRO A 132 22.682 -2.425 -0.604 1.00 3.44 C ATOM 2099 CD PRO A 132 21.453 -1.791 0.041 1.00 34.34 C ATOM 0 HA PRO A 132 20.868 -1.005 -2.992 1.00 63.25 H new ATOM 0 HB2 PRO A 132 23.116 -2.565 -2.729 1.00 1.14 H new ATOM 0 HB3 PRO A 132 23.082 -0.921 -2.121 1.00 1.14 H new ATOM 0 HG2 PRO A 132 22.643 -3.514 -0.570 1.00 3.44 H new ATOM 0 HG3 PRO A 132 23.604 -2.123 -0.106 1.00 3.44 H new ATOM 0 HD2 PRO A 132 21.068 -2.419 0.845 1.00 34.34 H new ATOM 0 HD3 PRO A 132 21.699 -0.825 0.481 1.00 34.34 H new ATOM 2107 N ILE A 133 20.900 -3.170 -4.297 1.00 20.53 N ATOM 2108 CA ILE A 133 20.340 -4.149 -5.217 1.00 41.14 C ATOM 2109 C ILE A 133 20.672 -5.612 -4.847 1.00 53.45 C ATOM 2110 O ILE A 133 20.003 -6.540 -5.318 1.00 75.52 O ATOM 2111 CB ILE A 133 20.755 -3.722 -6.641 1.00 53.01 C ATOM 2112 CG1 ILE A 133 19.923 -4.453 -7.700 1.00 73.45 C ATOM 2113 CG2 ILE A 133 22.254 -3.914 -6.883 1.00 14.42 C ATOM 2114 CD1 ILE A 133 20.040 -3.829 -9.092 1.00 40.13 C ATOM 0 H ILE A 133 21.563 -2.537 -4.744 1.00 20.53 H new ATOM 0 HA ILE A 133 19.252 -4.152 -5.153 1.00 41.14 H new ATOM 0 HB ILE A 133 20.552 -2.655 -6.730 1.00 53.01 H new ATOM 0 HG12 ILE A 133 20.241 -5.495 -7.748 1.00 73.45 H new ATOM 0 HG13 ILE A 133 18.877 -4.453 -7.395 1.00 73.45 H new ATOM 0 HG21 ILE A 133 22.502 -3.601 -7.897 1.00 14.42 H new ATOM 0 HG22 ILE A 133 22.818 -3.313 -6.170 1.00 14.42 H new ATOM 0 HG23 ILE A 133 22.512 -4.965 -6.755 1.00 14.42 H new ATOM 0 HD11 ILE A 133 19.428 -4.393 -9.796 1.00 40.13 H new ATOM 0 HD12 ILE A 133 19.695 -2.796 -9.058 1.00 40.13 H new ATOM 0 HD13 ILE A 133 21.081 -3.854 -9.416 1.00 40.13 H new ATOM 2126 N GLY A 134 21.672 -5.843 -3.992 1.00 52.13 N ATOM 2127 CA GLY A 134 22.040 -7.163 -3.497 1.00 21.44 C ATOM 2128 C GLY A 134 21.253 -7.576 -2.251 1.00 63.35 C ATOM 2129 O GLY A 134 20.916 -8.756 -2.108 1.00 74.25 O ATOM 0 H GLY A 134 22.259 -5.097 -3.619 1.00 52.13 H new ATOM 0 HA2 GLY A 134 21.876 -7.899 -4.284 1.00 21.44 H new ATOM 0 HA3 GLY A 134 23.105 -7.175 -3.267 1.00 21.44 H new ATOM 2133 N GLU A 135 20.908 -6.625 -1.378 1.00 63.25 N ATOM 2134 CA GLU A 135 20.342 -6.905 -0.053 1.00 42.15 C ATOM 2135 C GLU A 135 18.818 -7.070 -0.070 1.00 1.52 C ATOM 2136 O GLU A 135 18.185 -7.217 0.980 1.00 42.24 O ATOM 2137 CB GLU A 135 20.772 -5.817 0.937 1.00 61.01 C ATOM 2138 CG GLU A 135 22.194 -6.031 1.462 1.00 55.43 C ATOM 2139 CD GLU A 135 22.317 -7.160 2.498 1.00 13.52 C ATOM 2140 OE1 GLU A 135 21.931 -8.318 2.228 1.00 40.43 O ATOM 2141 OE2 GLU A 135 22.855 -6.893 3.600 1.00 24.22 O ATOM 0 H GLU A 135 21.014 -5.629 -1.572 1.00 63.25 H new ATOM 0 HA GLU A 135 20.740 -7.867 0.272 1.00 42.15 H new ATOM 0 HB2 GLU A 135 20.710 -4.843 0.451 1.00 61.01 H new ATOM 0 HB3 GLU A 135 20.077 -5.799 1.777 1.00 61.01 H new ATOM 0 HG2 GLU A 135 22.851 -6.251 0.621 1.00 55.43 H new ATOM 0 HG3 GLU A 135 22.549 -5.102 1.909 1.00 55.43 H new ATOM 2148 N LEU A 136 18.202 -7.077 -1.254 1.00 60.25 N ATOM 2149 CA LEU A 136 16.770 -7.306 -1.429 1.00 40.23 C ATOM 2150 C LEU A 136 16.311 -8.505 -0.601 1.00 2.53 C ATOM 2151 O LEU A 136 15.425 -8.377 0.233 1.00 55.22 O ATOM 2152 CB LEU A 136 16.478 -7.523 -2.915 1.00 55.02 C ATOM 2153 CG LEU A 136 14.999 -7.776 -3.268 1.00 44.42 C ATOM 2154 CD1 LEU A 136 14.046 -6.727 -2.678 1.00 24.23 C ATOM 2155 CD2 LEU A 136 14.820 -7.846 -4.793 1.00 2.11 C ATOM 0 H LEU A 136 18.695 -6.921 -2.133 1.00 60.25 H new ATOM 0 HA LEU A 136 16.217 -6.435 -1.079 1.00 40.23 H new ATOM 0 HB2 LEU A 136 16.821 -6.648 -3.467 1.00 55.02 H new ATOM 0 HB3 LEU A 136 17.067 -8.371 -3.264 1.00 55.02 H new ATOM 0 HG LEU A 136 14.734 -8.732 -2.816 1.00 44.42 H new ATOM 0 HD11 LEU A 136 13.021 -6.964 -2.964 1.00 24.23 H new ATOM 0 HD12 LEU A 136 14.129 -6.730 -1.591 1.00 24.23 H new ATOM 0 HD13 LEU A 136 14.310 -5.740 -3.059 1.00 24.23 H new ATOM 0 HD21 LEU A 136 13.771 -8.025 -5.028 1.00 2.11 H new ATOM 0 HD22 LEU A 136 15.136 -6.904 -5.240 1.00 2.11 H new ATOM 0 HD23 LEU A 136 15.426 -8.659 -5.193 1.00 2.11 H new ATOM 2167 N LYS A 137 16.946 -9.662 -0.780 1.00 41.34 N ATOM 2168 CA LYS A 137 16.673 -10.868 0.001 1.00 51.41 C ATOM 2169 C LYS A 137 16.582 -10.631 1.511 1.00 24.43 C ATOM 2170 O LYS A 137 15.585 -11.017 2.125 1.00 15.33 O ATOM 2171 CB LYS A 137 17.558 -12.033 -0.399 1.00 35.12 C ATOM 2172 CG LYS A 137 19.039 -11.754 -0.603 1.00 42.42 C ATOM 2173 CD LYS A 137 19.931 -12.056 0.604 1.00 13.12 C ATOM 2174 CE LYS A 137 20.379 -13.521 0.737 1.00 52.44 C ATOM 2175 NZ LYS A 137 19.332 -14.441 1.212 1.00 52.34 N ATOM 0 H LYS A 137 17.675 -9.790 -1.482 1.00 41.34 H new ATOM 0 HA LYS A 137 15.660 -11.169 -0.267 1.00 51.41 H new ATOM 0 HB2 LYS A 137 17.464 -12.805 0.365 1.00 35.12 H new ATOM 0 HB3 LYS A 137 17.164 -12.452 -1.325 1.00 35.12 H new ATOM 0 HG2 LYS A 137 19.390 -12.343 -1.450 1.00 42.42 H new ATOM 0 HG3 LYS A 137 19.161 -10.705 -0.871 1.00 42.42 H new ATOM 0 HD2 LYS A 137 20.818 -11.425 0.547 1.00 13.12 H new ATOM 0 HD3 LYS A 137 19.396 -11.773 1.511 1.00 13.12 H new ATOM 0 HE2 LYS A 137 20.736 -13.868 -0.233 1.00 52.44 H new ATOM 0 HE3 LYS A 137 21.224 -13.568 1.423 1.00 52.44 H new ATOM 0 HZ1 LYS A 137 19.765 -15.342 1.498 1.00 52.34 H new ATOM 0 HZ2 LYS A 137 18.842 -14.018 2.026 1.00 52.34 H new ATOM 0 HZ3 LYS A 137 18.648 -14.613 0.447 1.00 52.34 H new ATOM 2189 N GLN A 138 17.586 -9.977 2.091 1.00 24.45 N ATOM 2190 CA GLN A 138 17.647 -9.642 3.513 1.00 64.02 C ATOM 2191 C GLN A 138 16.438 -8.786 3.910 1.00 31.04 C ATOM 2192 O GLN A 138 15.768 -9.082 4.903 1.00 75.03 O ATOM 2193 CB GLN A 138 18.990 -8.940 3.795 1.00 23.04 C ATOM 2194 CG GLN A 138 19.230 -8.595 5.272 1.00 71.21 C ATOM 2195 CD GLN A 138 19.271 -9.825 6.172 1.00 34.33 C ATOM 2196 OE1 GLN A 138 18.487 -9.834 7.233 1.00 23.15 O flip ATOM 2197 NE2 GLN A 138 19.981 -10.793 5.902 1.00 72.23 N flip ATOM 0 H GLN A 138 18.403 -9.656 1.571 1.00 24.45 H new ATOM 0 HA GLN A 138 17.600 -10.544 4.123 1.00 64.02 H new ATOM 0 HB2 GLN A 138 19.801 -9.581 3.448 1.00 23.04 H new ATOM 0 HB3 GLN A 138 19.036 -8.022 3.208 1.00 23.04 H new ATOM 0 HG2 GLN A 138 20.171 -8.052 5.364 1.00 71.21 H new ATOM 0 HG3 GLN A 138 18.441 -7.926 5.616 1.00 71.21 H new ATOM 0 HE21 GLN A 138 20.582 -10.771 5.078 1.00 72.23 H new ATOM 0 HE22 GLN A 138 19.969 -11.618 6.502 1.00 72.23 H new ATOM 2206 N THR A 139 16.130 -7.780 3.095 1.00 62.02 N ATOM 2207 CA THR A 139 15.004 -6.868 3.253 1.00 15.54 C ATOM 2208 C THR A 139 13.688 -7.654 3.321 1.00 3.24 C ATOM 2209 O THR A 139 12.896 -7.486 4.247 1.00 72.31 O ATOM 2210 CB THR A 139 15.015 -5.858 2.085 1.00 75.45 C ATOM 2211 OG1 THR A 139 16.325 -5.380 1.820 1.00 60.01 O ATOM 2212 CG2 THR A 139 14.102 -4.661 2.327 1.00 20.44 C ATOM 0 H THR A 139 16.687 -7.570 2.267 1.00 62.02 H new ATOM 0 HA THR A 139 15.093 -6.316 4.189 1.00 15.54 H new ATOM 0 HB THR A 139 14.640 -6.411 1.224 1.00 75.45 H new ATOM 0 HG1 THR A 139 16.848 -6.084 1.382 1.00 60.01 H new ATOM 0 HG21 THR A 139 14.152 -3.987 1.472 1.00 20.44 H new ATOM 0 HG22 THR A 139 13.076 -5.006 2.457 1.00 20.44 H new ATOM 0 HG23 THR A 139 14.424 -4.133 3.225 1.00 20.44 H new ATOM 2220 N ILE A 140 13.478 -8.575 2.376 1.00 55.34 N ATOM 2221 CA ILE A 140 12.262 -9.376 2.286 1.00 54.23 C ATOM 2222 C ILE A 140 12.085 -10.186 3.564 1.00 12.55 C ATOM 2223 O ILE A 140 10.966 -10.297 4.082 1.00 60.32 O ATOM 2224 CB ILE A 140 12.281 -10.283 1.033 1.00 14.42 C ATOM 2225 CG1 ILE A 140 12.344 -9.440 -0.256 1.00 72.11 C ATOM 2226 CG2 ILE A 140 11.032 -11.183 0.981 1.00 74.20 C ATOM 2227 CD1 ILE A 140 12.517 -10.264 -1.534 1.00 34.32 C ATOM 0 H ILE A 140 14.158 -8.785 1.645 1.00 55.34 H new ATOM 0 HA ILE A 140 11.407 -8.709 2.180 1.00 54.23 H new ATOM 0 HB ILE A 140 13.171 -10.908 1.101 1.00 14.42 H new ATOM 0 HG12 ILE A 140 11.430 -8.851 -0.337 1.00 72.11 H new ATOM 0 HG13 ILE A 140 13.172 -8.735 -0.176 1.00 72.11 H new ATOM 0 HG21 ILE A 140 11.072 -11.810 0.090 1.00 74.20 H new ATOM 0 HG22 ILE A 140 11.002 -11.815 1.868 1.00 74.20 H new ATOM 0 HG23 ILE A 140 10.137 -10.562 0.948 1.00 74.20 H new ATOM 0 HD11 ILE A 140 12.552 -9.597 -2.395 1.00 34.32 H new ATOM 0 HD12 ILE A 140 13.445 -10.833 -1.477 1.00 34.32 H new ATOM 0 HD13 ILE A 140 11.677 -10.950 -1.641 1.00 34.32 H new ATOM 2239 N GLN A 141 13.174 -10.773 4.060 1.00 15.52 N ATOM 2240 CA GLN A 141 13.126 -11.527 5.293 1.00 4.32 C ATOM 2241 C GLN A 141 12.666 -10.654 6.447 1.00 1.24 C ATOM 2242 O GLN A 141 11.781 -11.083 7.181 1.00 23.34 O ATOM 2243 CB GLN A 141 14.445 -12.268 5.529 1.00 11.12 C ATOM 2244 CG GLN A 141 14.585 -13.403 4.503 1.00 75.01 C ATOM 2245 CD GLN A 141 15.595 -14.472 4.904 1.00 62.21 C ATOM 2246 OE1 GLN A 141 16.570 -14.212 5.598 1.00 43.33 O ATOM 2247 NE2 GLN A 141 15.412 -15.696 4.431 1.00 12.21 N ATOM 0 H GLN A 141 14.094 -10.736 3.621 1.00 15.52 H new ATOM 0 HA GLN A 141 12.371 -12.309 5.214 1.00 4.32 H new ATOM 0 HB2 GLN A 141 15.284 -11.577 5.440 1.00 11.12 H new ATOM 0 HB3 GLN A 141 14.471 -12.673 6.541 1.00 11.12 H new ATOM 0 HG2 GLN A 141 13.612 -13.872 4.358 1.00 75.01 H new ATOM 0 HG3 GLN A 141 14.880 -12.979 3.543 1.00 75.01 H new ATOM 0 HE21 GLN A 141 14.597 -15.903 3.854 1.00 12.21 H new ATOM 0 HE22 GLN A 141 16.086 -16.431 4.644 1.00 12.21 H new ATOM 2256 N ASN A 142 13.163 -9.423 6.512 1.00 54.31 N ATOM 2257 CA ASN A 142 12.881 -8.495 7.609 1.00 20.31 C ATOM 2258 C ASN A 142 11.427 -8.043 7.650 1.00 53.44 C ATOM 2259 O ASN A 142 10.848 -7.980 8.733 1.00 3.15 O ATOM 2260 CB ASN A 142 13.839 -7.293 7.594 1.00 40.13 C ATOM 2261 CG ASN A 142 15.091 -7.668 8.360 1.00 60.33 C ATOM 2262 OD1 ASN A 142 15.264 -7.298 9.513 1.00 5.45 O ATOM 2263 ND2 ASN A 142 15.917 -8.533 7.802 1.00 62.20 N ATOM 0 H ASN A 142 13.780 -9.035 5.798 1.00 54.31 H new ATOM 0 HA ASN A 142 13.055 -9.054 8.528 1.00 20.31 H new ATOM 0 HB2 ASN A 142 14.089 -7.021 6.569 1.00 40.13 H new ATOM 0 HB3 ASN A 142 13.363 -6.424 8.048 1.00 40.13 H new ATOM 0 HD21 ASN A 142 16.708 -8.899 8.333 1.00 62.20 H new ATOM 0 HD22 ASN A 142 15.765 -8.836 6.840 1.00 62.20 H new ATOM 2270 N VAL A 143 10.789 -7.782 6.503 1.00 0.42 N ATOM 2271 CA VAL A 143 9.418 -7.253 6.507 1.00 75.44 C ATOM 2272 C VAL A 143 8.481 -8.243 7.205 1.00 31.41 C ATOM 2273 O VAL A 143 7.609 -7.852 7.988 1.00 40.31 O ATOM 2274 CB VAL A 143 8.933 -6.967 5.073 1.00 43.13 C ATOM 2275 CG1 VAL A 143 7.497 -6.429 5.039 1.00 34.42 C ATOM 2276 CG2 VAL A 143 9.857 -6.006 4.313 1.00 43.13 C ATOM 0 H VAL A 143 11.190 -7.925 5.576 1.00 0.42 H new ATOM 0 HA VAL A 143 9.411 -6.311 7.055 1.00 75.44 H new ATOM 0 HB VAL A 143 8.957 -7.933 4.568 1.00 43.13 H new ATOM 0 HG11 VAL A 143 7.202 -6.243 4.006 1.00 34.42 H new ATOM 0 HG12 VAL A 143 6.823 -7.162 5.482 1.00 34.42 H new ATOM 0 HG13 VAL A 143 7.444 -5.499 5.604 1.00 34.42 H new ATOM 0 HG21 VAL A 143 9.465 -5.842 3.309 1.00 43.13 H new ATOM 0 HG22 VAL A 143 9.908 -5.055 4.843 1.00 43.13 H new ATOM 0 HG23 VAL A 143 10.856 -6.438 4.246 1.00 43.13 H new ATOM 2286 N LYS A 144 8.662 -9.537 6.919 1.00 40.30 N ATOM 2287 CA LYS A 144 7.857 -10.606 7.493 1.00 33.44 C ATOM 2288 C LYS A 144 7.935 -10.656 9.018 1.00 71.13 C ATOM 2289 O LYS A 144 7.025 -11.217 9.624 1.00 73.34 O ATOM 2290 CB LYS A 144 8.369 -11.946 6.949 1.00 41.31 C ATOM 2291 CG LYS A 144 8.119 -12.171 5.450 1.00 24.45 C ATOM 2292 CD LYS A 144 8.755 -13.475 4.934 1.00 40.31 C ATOM 2293 CE LYS A 144 10.248 -13.534 5.273 1.00 20.43 C ATOM 2294 NZ LYS A 144 10.543 -14.267 6.535 1.00 40.42 N ATOM 0 H LYS A 144 9.380 -9.869 6.275 1.00 40.30 H new ATOM 0 HA LYS A 144 6.820 -10.416 7.217 1.00 33.44 H new ATOM 0 HB2 LYS A 144 9.440 -12.013 7.138 1.00 41.31 H new ATOM 0 HB3 LYS A 144 7.895 -12.754 7.507 1.00 41.31 H new ATOM 0 HG2 LYS A 144 7.045 -12.196 5.264 1.00 24.45 H new ATOM 0 HG3 LYS A 144 8.520 -11.328 4.888 1.00 24.45 H new ATOM 0 HD2 LYS A 144 8.245 -14.331 5.375 1.00 40.31 H new ATOM 0 HD3 LYS A 144 8.621 -13.546 3.855 1.00 40.31 H new ATOM 0 HE2 LYS A 144 10.780 -14.013 4.451 1.00 20.43 H new ATOM 0 HE3 LYS A 144 10.634 -12.518 5.354 1.00 20.43 H new ATOM 0 HZ1 LYS A 144 11.316 -13.790 7.041 1.00 40.42 H new ATOM 0 HZ2 LYS A 144 9.693 -14.282 7.135 1.00 40.42 H new ATOM 0 HZ3 LYS A 144 10.826 -15.243 6.312 1.00 40.42 H new ATOM 2308 N GLU A 145 9.010 -10.164 9.626 1.00 24.12 N ATOM 2309 CA GLU A 145 9.216 -10.215 11.063 1.00 24.24 C ATOM 2310 C GLU A 145 8.322 -9.179 11.725 1.00 4.15 C ATOM 2311 O GLU A 145 7.518 -9.522 12.591 1.00 21.43 O ATOM 2312 CB GLU A 145 10.687 -9.945 11.410 1.00 63.32 C ATOM 2313 CG GLU A 145 11.651 -10.847 10.630 1.00 63.13 C ATOM 2314 CD GLU A 145 13.112 -10.616 11.004 1.00 23.25 C ATOM 2315 OE1 GLU A 145 13.404 -10.300 12.179 1.00 54.31 O ATOM 2316 OE2 GLU A 145 13.990 -10.741 10.116 1.00 12.43 O ATOM 0 H GLU A 145 9.773 -9.712 9.122 1.00 24.12 H new ATOM 0 HA GLU A 145 8.962 -11.210 11.428 1.00 24.24 H new ATOM 0 HB2 GLU A 145 10.921 -8.901 11.199 1.00 63.32 H new ATOM 0 HB3 GLU A 145 10.838 -10.096 12.479 1.00 63.32 H new ATOM 0 HG2 GLU A 145 11.394 -11.890 10.814 1.00 63.13 H new ATOM 0 HG3 GLU A 145 11.522 -10.671 9.562 1.00 63.13 H new ATOM 2323 N GLU A 146 8.430 -7.919 11.295 1.00 2.33 N ATOM 2324 CA GLU A 146 7.592 -6.849 11.827 1.00 25.13 C ATOM 2325 C GLU A 146 6.119 -7.141 11.543 1.00 50.43 C ATOM 2326 O GLU A 146 5.268 -6.983 12.416 1.00 34.31 O ATOM 2327 CB GLU A 146 7.996 -5.495 11.244 1.00 52.12 C ATOM 2328 CG GLU A 146 9.283 -4.910 11.839 1.00 42.50 C ATOM 2329 CD GLU A 146 9.084 -3.452 12.270 1.00 71.02 C ATOM 2330 OE1 GLU A 146 8.922 -2.566 11.397 1.00 24.03 O ATOM 2331 OE2 GLU A 146 9.021 -3.180 13.490 1.00 4.23 O ATOM 0 H GLU A 146 9.091 -7.618 10.579 1.00 2.33 H new ATOM 0 HA GLU A 146 7.737 -6.805 12.906 1.00 25.13 H new ATOM 0 HB2 GLU A 146 8.123 -5.600 10.166 1.00 52.12 H new ATOM 0 HB3 GLU A 146 7.182 -4.787 11.402 1.00 52.12 H new ATOM 0 HG2 GLU A 146 9.593 -5.506 12.697 1.00 42.50 H new ATOM 0 HG3 GLU A 146 10.085 -4.968 11.104 1.00 42.50 H new ATOM 2338 N ASN A 147 5.806 -7.635 10.342 1.00 31.05 N ATOM 2339 CA ASN A 147 4.418 -7.909 9.988 1.00 65.12 C ATOM 2340 C ASN A 147 3.784 -9.011 10.819 1.00 11.13 C ATOM 2341 O ASN A 147 2.560 -9.067 10.966 1.00 23.43 O ATOM 2342 CB ASN A 147 4.279 -8.162 8.491 1.00 51.12 C ATOM 2343 CG ASN A 147 4.387 -9.535 7.866 1.00 31.03 C ATOM 2344 OD1 ASN A 147 4.156 -10.599 8.441 1.00 72.20 O ATOM 2345 ND2 ASN A 147 4.570 -9.487 6.560 1.00 12.11 N ATOM 0 H ASN A 147 6.485 -7.849 9.612 1.00 31.05 H new ATOM 0 HA ASN A 147 3.852 -7.010 10.233 1.00 65.12 H new ATOM 0 HB2 ASN A 147 3.305 -7.768 8.202 1.00 51.12 H new ATOM 0 HB3 ASN A 147 5.031 -7.542 8.003 1.00 51.12 H new ATOM 0 HD21 ASN A 147 4.521 -10.342 6.006 1.00 12.11 H new ATOM 0 HD22 ASN A 147 4.760 -8.595 6.104 1.00 12.11 H new ATOM 2352 N ALA A 148 4.616 -9.890 11.363 1.00 70.30 N ATOM 2353 CA ALA A 148 4.183 -10.974 12.213 1.00 33.25 C ATOM 2354 C ALA A 148 4.036 -10.554 13.680 1.00 43.30 C ATOM 2355 O ALA A 148 3.397 -11.280 14.445 1.00 74.01 O ATOM 2356 CB ALA A 148 5.116 -12.146 11.969 1.00 34.34 C ATOM 0 H ALA A 148 5.625 -9.863 11.219 1.00 70.30 H new ATOM 0 HA ALA A 148 3.171 -11.286 11.956 1.00 33.25 H new ATOM 0 HB1 ALA A 148 4.817 -12.986 12.597 1.00 34.34 H new ATOM 0 HB2 ALA A 148 5.064 -12.440 10.921 1.00 34.34 H new ATOM 0 HB3 ALA A 148 6.137 -11.855 12.214 1.00 34.34 H new ATOM 2362 N ALA A 149 4.559 -9.381 14.054 1.00 61.11 N ATOM 2363 CA ALA A 149 4.194 -8.700 15.284 1.00 34.33 C ATOM 2364 C ALA A 149 2.816 -8.052 15.125 1.00 2.23 C ATOM 2365 O ALA A 149 1.956 -8.277 15.972 1.00 21.05 O ATOM 2366 CB ALA A 149 5.260 -7.660 15.638 1.00 2.34 C ATOM 0 H ALA A 149 5.254 -8.880 13.500 1.00 61.11 H new ATOM 0 HA ALA A 149 4.140 -9.420 16.101 1.00 34.33 H new ATOM 0 HB1 ALA A 149 4.981 -7.153 16.561 1.00 2.34 H new ATOM 0 HB2 ALA A 149 6.221 -8.156 15.773 1.00 2.34 H new ATOM 0 HB3 ALA A 149 5.338 -6.930 14.832 1.00 2.34 H new ATOM 2372 N PHE A 150 2.569 -7.290 14.048 1.00 45.13 N ATOM 2373 CA PHE A 150 1.267 -6.644 13.830 1.00 21.03 C ATOM 2374 C PHE A 150 0.134 -7.666 13.897 1.00 25.11 C ATOM 2375 O PHE A 150 -0.782 -7.543 14.716 1.00 24.22 O ATOM 2376 CB PHE A 150 1.219 -5.866 12.509 1.00 34.41 C ATOM 2377 CG PHE A 150 -0.186 -5.374 12.189 1.00 72.02 C ATOM 2378 CD1 PHE A 150 -0.749 -4.310 12.921 1.00 45.32 C ATOM 2379 CD2 PHE A 150 -0.970 -6.042 11.226 1.00 11.54 C ATOM 2380 CE1 PHE A 150 -2.077 -3.912 12.682 1.00 23.15 C ATOM 2381 CE2 PHE A 150 -2.283 -5.615 10.959 1.00 31.41 C ATOM 2382 CZ PHE A 150 -2.841 -4.555 11.692 1.00 24.35 C ATOM 0 H PHE A 150 3.254 -7.107 13.315 1.00 45.13 H new ATOM 0 HA PHE A 150 1.131 -5.921 14.634 1.00 21.03 H new ATOM 0 HB2 PHE A 150 1.898 -5.015 12.564 1.00 34.41 H new ATOM 0 HB3 PHE A 150 1.573 -6.504 11.699 1.00 34.41 H new ATOM 0 HD1 PHE A 150 -0.160 -3.799 13.668 1.00 45.32 H new ATOM 0 HD2 PHE A 150 -0.560 -6.886 10.691 1.00 11.54 H new ATOM 0 HE1 PHE A 150 -2.511 -3.110 13.261 1.00 23.15 H new ATOM 0 HE2 PHE A 150 -2.863 -6.103 10.189 1.00 31.41 H new ATOM 0 HZ PHE A 150 -3.854 -4.235 11.496 1.00 24.35 H new ATOM 2392 N LYS A 151 0.206 -8.708 13.059 1.00 2.23 N ATOM 2393 CA LYS A 151 -0.839 -9.721 13.032 1.00 43.12 C ATOM 2394 C LYS A 151 -0.947 -10.524 14.328 1.00 30.42 C ATOM 2395 O LYS A 151 -1.868 -11.333 14.435 1.00 4.33 O ATOM 2396 CB LYS A 151 -0.677 -10.617 11.809 1.00 3.44 C ATOM 2397 CG LYS A 151 0.345 -11.712 12.051 1.00 32.03 C ATOM 2398 CD LYS A 151 0.591 -12.523 10.783 1.00 21.21 C ATOM 2399 CE LYS A 151 1.586 -11.846 9.840 1.00 25.44 C ATOM 2400 NZ LYS A 151 1.419 -12.304 8.448 1.00 74.24 N ATOM 0 H LYS A 151 0.970 -8.865 12.401 1.00 2.23 H new ATOM 0 HA LYS A 151 -1.790 -9.195 12.951 1.00 43.12 H new ATOM 0 HB2 LYS A 151 -1.638 -11.065 11.555 1.00 3.44 H new ATOM 0 HB3 LYS A 151 -0.370 -10.015 10.954 1.00 3.44 H new ATOM 0 HG2 LYS A 151 1.282 -11.271 12.392 1.00 32.03 H new ATOM 0 HG3 LYS A 151 -0.005 -12.371 12.846 1.00 32.03 H new ATOM 0 HD2 LYS A 151 0.966 -13.510 11.054 1.00 21.21 H new ATOM 0 HD3 LYS A 151 -0.355 -12.673 10.262 1.00 21.21 H new ATOM 0 HE2 LYS A 151 1.453 -10.765 9.886 1.00 25.44 H new ATOM 0 HE3 LYS A 151 2.603 -12.056 10.172 1.00 25.44 H new ATOM 0 HZ1 LYS A 151 1.975 -11.696 7.813 1.00 74.24 H new ATOM 0 HZ2 LYS A 151 1.750 -13.286 8.364 1.00 74.24 H new ATOM 0 HZ3 LYS A 151 0.414 -12.253 8.184 1.00 74.24 H new ATOM 2414 N GLU A 152 -0.018 -10.406 15.282 1.00 3.11 N ATOM 2415 CA GLU A 152 -0.214 -11.050 16.570 1.00 73.24 C ATOM 2416 C GLU A 152 -1.416 -10.402 17.256 1.00 1.45 C ATOM 2417 O GLU A 152 -2.305 -11.102 17.751 1.00 32.04 O ATOM 2418 CB GLU A 152 1.034 -10.966 17.463 1.00 22.23 C ATOM 2419 CG GLU A 152 0.859 -12.044 18.541 1.00 24.11 C ATOM 2420 CD GLU A 152 1.968 -12.146 19.579 1.00 23.12 C ATOM 2421 OE1 GLU A 152 2.800 -11.230 19.736 1.00 63.23 O ATOM 2422 OE2 GLU A 152 1.999 -13.195 20.264 1.00 30.32 O ATOM 0 H GLU A 152 0.853 -9.884 15.185 1.00 3.11 H new ATOM 0 HA GLU A 152 -0.399 -12.111 16.405 1.00 73.24 H new ATOM 0 HB2 GLU A 152 1.941 -11.138 16.883 1.00 22.23 H new ATOM 0 HB3 GLU A 152 1.126 -9.977 17.912 1.00 22.23 H new ATOM 0 HG2 GLU A 152 -0.081 -11.858 19.061 1.00 24.11 H new ATOM 0 HG3 GLU A 152 0.764 -13.010 18.046 1.00 24.11 H new ATOM 2429 N ILE A 153 -1.406 -9.068 17.268 1.00 54.14 N ATOM 2430 CA ILE A 153 -2.252 -8.214 18.083 1.00 43.51 C ATOM 2431 C ILE A 153 -3.549 -7.905 17.331 1.00 10.32 C ATOM 2432 O ILE A 153 -4.622 -7.960 17.931 1.00 51.41 O ATOM 2433 CB ILE A 153 -1.481 -6.924 18.449 1.00 1.43 C ATOM 2434 CG1 ILE A 153 -0.014 -7.209 18.864 1.00 5.13 C ATOM 2435 CG2 ILE A 153 -2.225 -6.178 19.566 1.00 2.33 C ATOM 2436 CD1 ILE A 153 0.748 -6.033 19.488 1.00 53.54 C ATOM 0 H ILE A 153 -0.772 -8.532 16.676 1.00 54.14 H new ATOM 0 HA ILE A 153 -2.517 -8.723 19.010 1.00 43.51 H new ATOM 0 HB ILE A 153 -1.437 -6.299 17.557 1.00 1.43 H new ATOM 0 HG12 ILE A 153 -0.012 -8.036 19.575 1.00 5.13 H new ATOM 0 HG13 ILE A 153 0.533 -7.545 17.983 1.00 5.13 H new ATOM 0 HG21 ILE A 153 -1.680 -5.269 19.822 1.00 2.33 H new ATOM 0 HG22 ILE A 153 -3.226 -5.916 19.224 1.00 2.33 H new ATOM 0 HG23 ILE A 153 -2.297 -6.818 20.445 1.00 2.33 H new ATOM 0 HD11 ILE A 153 1.761 -6.348 19.738 1.00 53.54 H new ATOM 0 HD12 ILE A 153 0.790 -5.208 18.777 1.00 53.54 H new ATOM 0 HD13 ILE A 153 0.236 -5.707 20.393 1.00 53.54 H new ATOM 2448 N HIS A 154 -3.452 -7.604 16.031 1.00 53.24 N ATOM 2449 CA HIS A 154 -4.576 -7.335 15.138 1.00 3.25 C ATOM 2450 C HIS A 154 -4.478 -8.283 13.923 1.00 54.34 C ATOM 2451 O HIS A 154 -4.132 -7.846 12.824 1.00 45.52 O ATOM 2452 CB HIS A 154 -4.588 -5.838 14.763 1.00 62.22 C ATOM 2453 CG HIS A 154 -5.422 -4.942 15.657 1.00 64.24 C ATOM 2454 ND1 HIS A 154 -6.411 -4.096 15.208 1.00 5.52 N ATOM 2455 CD2 HIS A 154 -5.334 -4.781 17.015 1.00 1.14 C ATOM 2456 CE1 HIS A 154 -6.898 -3.428 16.267 1.00 33.45 C ATOM 2457 NE2 HIS A 154 -6.272 -3.810 17.393 1.00 54.10 N ATOM 0 H HIS A 154 -2.551 -7.540 15.557 1.00 53.24 H new ATOM 0 HA HIS A 154 -5.532 -7.534 15.623 1.00 3.25 H new ATOM 0 HB2 HIS A 154 -3.561 -5.473 14.770 1.00 62.22 H new ATOM 0 HB3 HIS A 154 -4.954 -5.742 13.741 1.00 62.22 H new ATOM 0 HD2 HIS A 154 -4.662 -5.308 17.676 1.00 1.14 H new ATOM 0 HE1 HIS A 154 -7.683 -2.688 16.220 1.00 33.45 H new ATOM 0 HE2 HIS A 154 -6.445 -3.462 18.336 1.00 54.10 H new ATOM 2465 N PRO A 155 -4.754 -9.590 14.091 1.00 42.23 N ATOM 2466 CA PRO A 155 -4.777 -10.570 13.003 1.00 11.51 C ATOM 2467 C PRO A 155 -5.873 -10.306 11.973 1.00 11.31 C ATOM 2468 O PRO A 155 -5.750 -10.855 10.857 1.00 72.21 O ATOM 2469 CB PRO A 155 -4.957 -11.945 13.658 1.00 54.31 C ATOM 2470 CG PRO A 155 -5.501 -11.623 15.047 1.00 44.52 C ATOM 2471 CD PRO A 155 -4.960 -10.240 15.372 1.00 54.40 C ATOM 0 HA PRO A 155 -3.846 -10.508 12.440 1.00 11.51 H new ATOM 0 HB2 PRO A 155 -5.649 -12.569 13.093 1.00 54.31 H new ATOM 0 HB3 PRO A 155 -4.013 -12.487 13.715 1.00 54.31 H new ATOM 0 HG2 PRO A 155 -6.591 -11.632 15.056 1.00 44.52 H new ATOM 0 HG3 PRO A 155 -5.170 -12.358 15.780 1.00 44.52 H new ATOM 0 HD2 PRO A 155 -5.663 -9.679 15.988 1.00 54.40 H new ATOM 0 HD3 PRO A 155 -4.027 -10.306 15.933 1.00 54.40 H new