USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 637 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: C 69 SER OG : rot -60:sc= 1.61 USER MOD Set 1.2: C 71 THR OG1 : rot -22:sc= -0.0132 USER MOD Single : C 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 13 THR OG1 : rot 180:sc= -0.228 USER MOD Single : C 16 GLN :FLIP amide:sc= -4.88! C(o=-8.2!,f=-4.9!) USER MOD Single : C 17 LYS NZ :NH3+ -169:sc= -0.241 (180deg=-0.501) USER MOD Single : C 18 ASN :FLIP amide:sc= -1.47 F(o=-2.1!,f=-1.5) USER MOD Single : C 21 LYS NZ :NH3+ 161:sc=-0.00718 (180deg=-0.108) USER MOD Single : C 35 CYS SG : rot 125:sc= 0.609 USER MOD Single : C 37 SER OG : rot -68:sc= 0.859 USER MOD Single : C 38 THR OG1 : rot 180:sc= 0 USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 47 MET CE :methyl -134:sc= -0.123 (180deg=-0.981) USER MOD Single : C 50 GLN : amide:sc= -0.177 K(o=-0.18,f=-0.9) USER MOD Single : C 51 ASN : amide:sc= -0.957 K(o=-0.96,f=-8.3!) USER MOD Single : C 53 THR OG1 : rot 180:sc=-0.000599 USER MOD Single : C 58 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.21) USER MOD Single : C 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 80 MET CE :methyl -134:sc= -0.29 (180deg=-1.4!) USER MOD Single : C 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 84 CYS SG : rot 129:sc= 1.25 USER MOD Single : C 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 86 LYS NZ :NH3+ -156:sc= -0.0845 (180deg=-0.742) USER MOD Single : I 153 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : I 154 MET CE :methyl -124:sc=-0.00703 (180deg=-0.274) USER MOD Single : I 155 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 106 N ALA C 7 23.310 -0.122 4.806 1.00 0.00 N ATOM 107 CA ALA C 7 24.436 -1.048 4.719 1.00 0.00 C ATOM 108 C ALA C 7 25.754 -0.292 4.766 1.00 0.00 C ATOM 109 O ALA C 7 26.738 -0.782 5.319 1.00 0.00 O ATOM 110 CB ALA C 7 24.345 -1.864 3.425 1.00 0.00 C ATOM 0 HA ALA C 7 24.395 -1.726 5.572 1.00 0.00 H new ATOM 0 HB1 ALA C 7 25.189 -2.552 3.369 1.00 0.00 H new ATOM 0 HB2 ALA C 7 23.414 -2.430 3.417 1.00 0.00 H new ATOM 0 HB3 ALA C 7 24.368 -1.191 2.568 1.00 0.00 H new ATOM 116 N ALA C 8 25.768 0.902 4.179 1.00 0.00 N ATOM 117 CA ALA C 8 26.978 1.710 4.155 1.00 0.00 C ATOM 118 C ALA C 8 27.413 2.050 5.570 1.00 0.00 C ATOM 119 O ALA C 8 28.600 2.017 5.879 1.00 0.00 O ATOM 120 CB ALA C 8 26.734 2.995 3.365 1.00 0.00 C ATOM 0 H ALA C 8 24.962 1.326 3.719 1.00 0.00 H new ATOM 0 HA ALA C 8 27.769 1.138 3.671 1.00 0.00 H new ATOM 0 HB1 ALA C 8 27.645 3.593 3.353 1.00 0.00 H new ATOM 0 HB2 ALA C 8 26.450 2.745 2.343 1.00 0.00 H new ATOM 0 HB3 ALA C 8 25.932 3.565 3.835 1.00 0.00 H new ATOM 126 N VAL C 9 26.444 2.366 6.423 1.00 0.00 N ATOM 127 CA VAL C 9 26.737 2.695 7.812 1.00 0.00 C ATOM 128 C VAL C 9 27.237 1.466 8.567 1.00 0.00 C ATOM 129 O VAL C 9 28.230 1.527 9.286 1.00 0.00 O ATOM 130 CB VAL C 9 25.480 3.232 8.489 1.00 0.00 C ATOM 131 CG1 VAL C 9 25.720 3.343 10.002 1.00 0.00 C ATOM 132 CG2 VAL C 9 25.156 4.621 7.932 1.00 0.00 C ATOM 0 H VAL C 9 25.454 2.401 6.178 1.00 0.00 H new ATOM 0 HA VAL C 9 27.518 3.455 7.829 1.00 0.00 H new ATOM 0 HB VAL C 9 24.649 2.554 8.297 1.00 0.00 H new ATOM 0 HG11 VAL C 9 24.822 3.727 10.486 1.00 0.00 H new ATOM 0 HG12 VAL C 9 25.957 2.359 10.406 1.00 0.00 H new ATOM 0 HG13 VAL C 9 26.551 4.022 10.190 1.00 0.00 H new ATOM 0 HG21 VAL C 9 24.258 5.006 8.415 1.00 0.00 H new ATOM 0 HG22 VAL C 9 25.990 5.295 8.127 1.00 0.00 H new ATOM 0 HG23 VAL C 9 24.989 4.552 6.857 1.00 0.00 H new ATOM 142 N GLU C 10 26.545 0.347 8.389 1.00 0.00 N ATOM 143 CA GLU C 10 26.927 -0.896 9.055 1.00 0.00 C ATOM 144 C GLU C 10 28.271 -1.386 8.535 1.00 0.00 C ATOM 145 O GLU C 10 28.993 -2.109 9.226 1.00 0.00 O ATOM 146 CB GLU C 10 25.862 -1.966 8.822 1.00 0.00 C ATOM 147 CG GLU C 10 24.608 -1.620 9.628 1.00 0.00 C ATOM 148 CD GLU C 10 24.867 -1.834 11.116 1.00 0.00 C ATOM 149 OE1 GLU C 10 24.647 -2.940 11.582 1.00 0.00 O1- ATOM 150 OE2 GLU C 10 25.281 -0.889 11.768 1.00 0.00 O ATOM 0 H GLU C 10 25.721 0.273 7.793 1.00 0.00 H new ATOM 0 HA GLU C 10 27.012 -0.703 10.124 1.00 0.00 H new ATOM 0 HB2 GLU C 10 25.620 -2.029 7.761 1.00 0.00 H new ATOM 0 HB3 GLU C 10 26.241 -2.943 9.121 1.00 0.00 H new ATOM 0 HG2 GLU C 10 24.323 -0.584 9.446 1.00 0.00 H new ATOM 0 HG3 GLU C 10 23.774 -2.242 9.303 1.00 0.00 H new ATOM 157 N GLN C 11 28.597 -0.994 7.312 1.00 0.00 N ATOM 158 CA GLN C 11 29.860 -1.401 6.701 1.00 0.00 C ATOM 159 C GLN C 11 31.043 -0.880 7.516 1.00 0.00 C ATOM 160 O GLN C 11 32.094 -1.521 7.578 1.00 0.00 O ATOM 161 CB GLN C 11 29.951 -0.865 5.270 1.00 0.00 C ATOM 162 CG GLN C 11 31.197 -1.435 4.587 1.00 0.00 C ATOM 163 CD GLN C 11 31.188 -1.076 3.104 1.00 0.00 C ATOM 164 OE1 GLN C 11 30.314 -1.521 2.361 1.00 0.00 O ATOM 165 NE2 GLN C 11 32.111 -0.285 2.629 1.00 0.00 N ATOM 0 H GLN C 11 28.012 -0.399 6.725 1.00 0.00 H new ATOM 0 HA GLN C 11 29.895 -2.490 6.682 1.00 0.00 H new ATOM 0 HB2 GLN C 11 29.058 -1.142 4.710 1.00 0.00 H new ATOM 0 HB3 GLN C 11 29.996 0.224 5.281 1.00 0.00 H new ATOM 0 HG2 GLN C 11 32.095 -1.038 5.060 1.00 0.00 H new ATOM 0 HG3 GLN C 11 31.225 -2.518 4.708 1.00 0.00 H new ATOM 0 HE21 GLN C 11 32.835 0.083 3.247 1.00 0.00 H new ATOM 0 HE22 GLN C 11 32.109 -0.035 1.640 1.00 0.00 H new ATOM 174 N LEU C 12 30.873 0.283 8.137 1.00 0.00 N ATOM 175 CA LEU C 12 31.939 0.873 8.931 1.00 0.00 C ATOM 176 C LEU C 12 32.551 -0.162 9.863 1.00 0.00 C ATOM 177 O LEU C 12 31.838 -0.913 10.526 1.00 0.00 O ATOM 178 CB LEU C 12 31.377 2.036 9.754 1.00 0.00 C ATOM 179 CG LEU C 12 31.361 3.316 8.911 1.00 0.00 C ATOM 180 CD1 LEU C 12 32.792 3.768 8.620 1.00 0.00 C ATOM 181 CD2 LEU C 12 30.634 3.040 7.595 1.00 0.00 C ATOM 0 H LEU C 12 30.013 0.830 8.105 1.00 0.00 H new ATOM 0 HA LEU C 12 32.716 1.237 8.258 1.00 0.00 H new ATOM 0 HB2 LEU C 12 30.367 1.800 10.090 1.00 0.00 H new ATOM 0 HB3 LEU C 12 31.983 2.187 10.647 1.00 0.00 H new ATOM 0 HG LEU C 12 30.845 4.104 9.460 1.00 0.00 H new ATOM 0 HD11 LEU C 12 32.771 4.678 8.021 1.00 0.00 H new ATOM 0 HD12 LEU C 12 33.310 3.964 9.559 1.00 0.00 H new ATOM 0 HD13 LEU C 12 33.317 2.985 8.073 1.00 0.00 H new ATOM 0 HD21 LEU C 12 30.619 3.947 6.990 1.00 0.00 H new ATOM 0 HD22 LEU C 12 31.153 2.250 7.052 1.00 0.00 H new ATOM 0 HD23 LEU C 12 29.611 2.726 7.803 1.00 0.00 H new ATOM 193 N THR C 13 33.881 -0.193 9.902 1.00 0.00 N ATOM 194 CA THR C 13 34.591 -1.137 10.751 1.00 0.00 C ATOM 195 C THR C 13 34.767 -0.578 12.153 1.00 0.00 C ATOM 196 O THR C 13 34.644 0.621 12.375 1.00 0.00 O ATOM 197 CB THR C 13 35.960 -1.458 10.152 1.00 0.00 C ATOM 198 OG1 THR C 13 36.737 -0.271 10.095 1.00 0.00 O ATOM 199 CG2 THR C 13 35.785 -2.024 8.745 1.00 0.00 C ATOM 0 H THR C 13 34.484 0.423 9.357 1.00 0.00 H new ATOM 0 HA THR C 13 33.999 -2.050 10.811 1.00 0.00 H new ATOM 0 HB THR C 13 36.466 -2.196 10.775 1.00 0.00 H new ATOM 0 HG1 THR C 13 37.616 -0.474 9.713 1.00 0.00 H new ATOM 0 HG21 THR C 13 36.763 -2.252 8.320 1.00 0.00 H new ATOM 0 HG22 THR C 13 35.188 -2.935 8.791 1.00 0.00 H new ATOM 0 HG23 THR C 13 35.279 -1.290 8.118 1.00 0.00 H new ATOM 207 N GLU C 14 35.071 -1.456 13.098 1.00 0.00 N ATOM 208 CA GLU C 14 35.269 -1.031 14.480 1.00 0.00 C ATOM 209 C GLU C 14 36.435 -0.063 14.579 1.00 0.00 C ATOM 210 O GLU C 14 36.374 0.925 15.309 1.00 0.00 O ATOM 211 CB GLU C 14 35.528 -2.253 15.371 1.00 0.00 C ATOM 212 CG GLU C 14 34.241 -3.076 15.512 1.00 0.00 C ATOM 213 CD GLU C 14 34.001 -3.896 14.250 1.00 0.00 C ATOM 214 OE1 GLU C 14 34.896 -3.955 13.422 1.00 0.00 O ATOM 215 OE2 GLU C 14 32.923 -4.451 14.125 1.00 0.00 O1- ATOM 0 H GLU C 14 35.185 -2.457 12.938 1.00 0.00 H new ATOM 0 HA GLU C 14 34.366 -0.523 14.819 1.00 0.00 H new ATOM 0 HB2 GLU C 14 36.318 -2.868 14.940 1.00 0.00 H new ATOM 0 HB3 GLU C 14 35.874 -1.931 16.353 1.00 0.00 H new ATOM 0 HG2 GLU C 14 34.316 -3.737 16.375 1.00 0.00 H new ATOM 0 HG3 GLU C 14 33.394 -2.413 15.691 1.00 0.00 H new ATOM 222 N GLU C 15 37.483 -0.340 13.830 1.00 0.00 N ATOM 223 CA GLU C 15 38.656 0.526 13.832 1.00 0.00 C ATOM 224 C GLU C 15 38.300 1.903 13.291 1.00 0.00 C ATOM 225 O GLU C 15 38.693 2.921 13.862 1.00 0.00 O ATOM 226 CB GLU C 15 39.767 -0.098 12.975 1.00 0.00 C ATOM 227 CG GLU C 15 41.010 0.791 13.015 1.00 0.00 C ATOM 228 CD GLU C 15 42.134 0.162 12.199 1.00 0.00 C ATOM 229 OE1 GLU C 15 41.944 -0.016 11.007 1.00 0.00 O ATOM 230 OE2 GLU C 15 43.168 -0.129 12.776 1.00 0.00 O1- ATOM 0 H GLU C 15 37.552 -1.151 13.215 1.00 0.00 H new ATOM 0 HA GLU C 15 39.009 0.633 14.858 1.00 0.00 H new ATOM 0 HB2 GLU C 15 40.009 -1.094 13.345 1.00 0.00 H new ATOM 0 HB3 GLU C 15 39.424 -0.214 11.947 1.00 0.00 H new ATOM 0 HG2 GLU C 15 40.773 1.779 12.620 1.00 0.00 H new ATOM 0 HG3 GLU C 15 41.334 0.930 14.047 1.00 0.00 H new ATOM 237 N GLN C 16 37.555 1.928 12.192 1.00 0.00 N ATOM 238 CA GLN C 16 37.157 3.191 11.589 1.00 0.00 C ATOM 239 C GLN C 16 36.260 3.971 12.551 1.00 0.00 C ATOM 240 O GLN C 16 36.407 5.183 12.705 1.00 0.00 O ATOM 241 CB GLN C 16 36.404 2.927 10.285 1.00 0.00 C ATOM 242 CG GLN C 16 36.481 4.161 9.383 1.00 0.00 C ATOM 243 CD GLN C 16 35.933 5.382 10.113 1.00 0.00 C ATOM 244 OE1 GLN C 16 34.777 5.307 10.711 1.00 0.00 O flip ATOM 245 NE2 GLN C 16 36.579 6.431 10.145 1.00 0.00 N flip ATOM 0 H GLN C 16 37.218 1.097 11.706 1.00 0.00 H new ATOM 0 HA GLN C 16 38.050 3.779 11.378 1.00 0.00 H new ATOM 0 HB2 GLN C 16 36.833 2.065 9.775 1.00 0.00 H new ATOM 0 HB3 GLN C 16 35.363 2.685 10.498 1.00 0.00 H new ATOM 0 HG2 GLN C 16 37.514 4.339 9.086 1.00 0.00 H new ATOM 0 HG3 GLN C 16 35.912 3.989 8.469 1.00 0.00 H new ATOM 0 HE21 GLN C 16 37.483 6.488 9.676 1.00 0.00 H new ATOM 0 HE22 GLN C 16 36.209 7.243 10.640 1.00 0.00 H new ATOM 254 N LYS C 17 35.340 3.264 13.199 1.00 0.00 N ATOM 255 CA LYS C 17 34.436 3.894 14.152 1.00 0.00 C ATOM 256 C LYS C 17 35.206 4.434 15.340 1.00 0.00 C ATOM 257 O LYS C 17 34.906 5.520 15.840 1.00 0.00 O ATOM 258 CB LYS C 17 33.379 2.896 14.620 1.00 0.00 C ATOM 259 CG LYS C 17 32.393 2.617 13.479 1.00 0.00 C ATOM 260 CD LYS C 17 31.247 1.757 13.997 1.00 0.00 C ATOM 261 CE LYS C 17 30.002 2.624 14.197 1.00 0.00 C ATOM 262 NZ LYS C 17 30.319 3.738 15.133 1.00 0.00 N1+ ATOM 0 H LYS C 17 35.202 2.260 13.082 1.00 0.00 H new ATOM 0 HA LYS C 17 33.938 4.726 13.654 1.00 0.00 H new ATOM 0 HB2 LYS C 17 33.855 1.968 14.937 1.00 0.00 H new ATOM 0 HB3 LYS C 17 32.847 3.293 15.485 1.00 0.00 H new ATOM 0 HG2 LYS C 17 32.007 3.555 13.081 1.00 0.00 H new ATOM 0 HG3 LYS C 17 32.902 2.109 12.660 1.00 0.00 H new ATOM 0 HD2 LYS C 17 31.034 0.955 13.291 1.00 0.00 H new ATOM 0 HD3 LYS C 17 31.529 1.286 14.939 1.00 0.00 H new ATOM 0 HE2 LYS C 17 29.666 3.023 13.240 1.00 0.00 H new ATOM 0 HE3 LYS C 17 29.186 2.021 14.595 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 29.439 4.215 15.416 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 30.794 3.358 15.977 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 30.946 4.420 14.661 1.00 0.00 H new ATOM 276 N ASN C 18 36.198 3.676 15.791 1.00 0.00 N ATOM 277 CA ASN C 18 36.992 4.100 16.928 1.00 0.00 C ATOM 278 C ASN C 18 37.717 5.405 16.631 1.00 0.00 C ATOM 279 O ASN C 18 37.799 6.291 17.486 1.00 0.00 O ATOM 280 CB ASN C 18 38.006 3.011 17.292 1.00 0.00 C ATOM 281 CG ASN C 18 37.320 1.881 18.052 1.00 0.00 C ATOM 282 OD1 ASN C 18 37.276 0.685 17.533 1.00 0.00 O flip ATOM 283 ND2 ASN C 18 36.820 2.091 19.157 1.00 0.00 N flip ATOM 0 H ASN C 18 36.466 2.777 15.391 1.00 0.00 H new ATOM 0 HA ASN C 18 36.321 4.266 17.771 1.00 0.00 H new ATOM 0 HB2 ASN C 18 38.470 2.620 16.387 1.00 0.00 H new ATOM 0 HB3 ASN C 18 38.804 3.436 17.901 1.00 0.00 H new ATOM 0 HD21 ASN C 18 36.854 3.026 19.563 1.00 0.00 H new ATOM 0 HD22 ASN C 18 36.371 1.330 19.667 1.00 0.00 H new ATOM 290 N GLU C 19 38.230 5.523 15.416 1.00 0.00 N ATOM 291 CA GLU C 19 38.935 6.734 15.009 1.00 0.00 C ATOM 292 C GLU C 19 37.977 7.927 14.980 1.00 0.00 C ATOM 293 O GLU C 19 38.328 9.035 15.392 1.00 0.00 O ATOM 294 CB GLU C 19 39.554 6.536 13.626 1.00 0.00 C ATOM 295 CG GLU C 19 40.680 5.503 13.713 1.00 0.00 C ATOM 296 CD GLU C 19 41.852 6.075 14.503 1.00 0.00 C ATOM 297 OE1 GLU C 19 41.900 7.284 14.660 1.00 0.00 O ATOM 298 OE2 GLU C 19 42.680 5.296 14.944 1.00 0.00 O1- ATOM 0 H GLU C 19 38.173 4.802 14.697 1.00 0.00 H new ATOM 0 HA GLU C 19 39.725 6.936 15.733 1.00 0.00 H new ATOM 0 HB2 GLU C 19 38.794 6.202 12.920 1.00 0.00 H new ATOM 0 HB3 GLU C 19 39.943 7.483 13.251 1.00 0.00 H new ATOM 0 HG2 GLU C 19 40.315 4.595 14.193 1.00 0.00 H new ATOM 0 HG3 GLU C 19 41.007 5.224 12.711 1.00 0.00 H new ATOM 305 N PHE C 20 36.761 7.684 14.502 1.00 0.00 N ATOM 306 CA PHE C 20 35.750 8.731 14.435 1.00 0.00 C ATOM 307 C PHE C 20 35.368 9.208 15.832 1.00 0.00 C ATOM 308 O PHE C 20 35.253 10.408 16.082 1.00 0.00 O ATOM 309 CB PHE C 20 34.510 8.217 13.706 1.00 0.00 C ATOM 310 CG PHE C 20 33.275 8.632 14.468 1.00 0.00 C ATOM 311 CD1 PHE C 20 32.881 9.974 14.503 1.00 0.00 C ATOM 312 CD2 PHE C 20 32.526 7.667 15.150 1.00 0.00 C ATOM 313 CE1 PHE C 20 31.737 10.349 15.218 1.00 0.00 C ATOM 314 CE2 PHE C 20 31.387 8.041 15.863 1.00 0.00 C ATOM 315 CZ PHE C 20 30.991 9.383 15.898 1.00 0.00 C ATOM 0 H PHE C 20 36.453 6.775 14.157 1.00 0.00 H new ATOM 0 HA PHE C 20 36.168 9.574 13.884 1.00 0.00 H new ATOM 0 HB2 PHE C 20 34.478 8.617 12.693 1.00 0.00 H new ATOM 0 HB3 PHE C 20 34.550 7.131 13.618 1.00 0.00 H new ATOM 0 HD1 PHE C 20 33.459 10.721 13.979 1.00 0.00 H new ATOM 0 HD2 PHE C 20 32.830 6.631 15.124 1.00 0.00 H new ATOM 0 HE1 PHE C 20 31.431 11.385 15.244 1.00 0.00 H new ATOM 0 HE2 PHE C 20 30.810 7.294 16.389 1.00 0.00 H new ATOM 0 HZ PHE C 20 30.109 9.672 16.450 1.00 0.00 H new ATOM 325 N LYS C 21 35.170 8.260 16.739 1.00 0.00 N ATOM 326 CA LYS C 21 34.798 8.593 18.107 1.00 0.00 C ATOM 327 C LYS C 21 35.863 9.485 18.739 1.00 0.00 C ATOM 328 O LYS C 21 35.542 10.420 19.473 1.00 0.00 O ATOM 329 CB LYS C 21 34.646 7.313 18.934 1.00 0.00 C ATOM 330 CG LYS C 21 33.376 6.575 18.506 1.00 0.00 C ATOM 331 CD LYS C 21 33.194 5.326 19.370 1.00 0.00 C ATOM 332 CE LYS C 21 32.276 5.651 20.550 1.00 0.00 C ATOM 333 NZ LYS C 21 30.863 5.699 20.078 1.00 0.00 N1+ ATOM 0 H LYS C 21 35.260 7.261 16.554 1.00 0.00 H new ATOM 0 HA LYS C 21 33.848 9.127 18.091 1.00 0.00 H new ATOM 0 HB2 LYS C 21 35.516 6.672 18.794 1.00 0.00 H new ATOM 0 HB3 LYS C 21 34.597 7.557 19.995 1.00 0.00 H new ATOM 0 HG2 LYS C 21 32.511 7.230 18.608 1.00 0.00 H new ATOM 0 HG3 LYS C 21 33.442 6.296 17.454 1.00 0.00 H new ATOM 0 HD2 LYS C 21 32.767 4.518 18.775 1.00 0.00 H new ATOM 0 HD3 LYS C 21 34.161 4.978 19.733 1.00 0.00 H new ATOM 0 HE2 LYS C 21 32.386 4.897 21.329 1.00 0.00 H new ATOM 0 HE3 LYS C 21 32.557 6.608 20.991 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 30.222 5.597 20.891 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 30.685 6.610 19.609 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 30.695 4.924 19.405 1.00 0.00 H new ATOM 347 N ALA C 22 37.128 9.205 18.439 1.00 0.00 N ATOM 348 CA ALA C 22 38.220 10.005 18.981 1.00 0.00 C ATOM 349 C ALA C 22 38.094 11.454 18.515 1.00 0.00 C ATOM 350 O ALA C 22 38.239 12.387 19.307 1.00 0.00 O ATOM 351 CB ALA C 22 39.560 9.434 18.513 1.00 0.00 C ATOM 0 H ALA C 22 37.420 8.440 17.831 1.00 0.00 H new ATOM 0 HA ALA C 22 38.171 9.975 20.069 1.00 0.00 H new ATOM 0 HB1 ALA C 22 40.373 10.035 18.920 1.00 0.00 H new ATOM 0 HB2 ALA C 22 39.659 8.406 18.861 1.00 0.00 H new ATOM 0 HB3 ALA C 22 39.604 9.454 17.424 1.00 0.00 H new ATOM 357 N ALA C 23 37.802 11.635 17.230 1.00 0.00 N ATOM 358 CA ALA C 23 37.635 12.978 16.680 1.00 0.00 C ATOM 359 C ALA C 23 36.439 13.673 17.324 1.00 0.00 C ATOM 360 O ALA C 23 36.484 14.868 17.618 1.00 0.00 O ATOM 361 CB ALA C 23 37.432 12.902 15.165 1.00 0.00 C ATOM 0 H ALA C 23 37.677 10.879 16.557 1.00 0.00 H new ATOM 0 HA ALA C 23 38.535 13.554 16.895 1.00 0.00 H new ATOM 0 HB1 ALA C 23 37.308 13.908 14.764 1.00 0.00 H new ATOM 0 HB2 ALA C 23 38.301 12.432 14.705 1.00 0.00 H new ATOM 0 HB3 ALA C 23 36.542 12.312 14.946 1.00 0.00 H new ATOM 367 N PHE C 24 35.369 12.914 17.538 1.00 0.00 N ATOM 368 CA PHE C 24 34.163 13.461 18.145 1.00 0.00 C ATOM 369 C PHE C 24 34.466 13.983 19.544 1.00 0.00 C ATOM 370 O PHE C 24 34.018 15.066 19.919 1.00 0.00 O ATOM 371 CB PHE C 24 33.078 12.387 18.223 1.00 0.00 C ATOM 372 CG PHE C 24 31.777 13.015 18.667 1.00 0.00 C ATOM 373 CD1 PHE C 24 30.889 13.531 17.713 1.00 0.00 C ATOM 374 CD2 PHE C 24 31.458 13.083 20.027 1.00 0.00 C ATOM 375 CE1 PHE C 24 29.684 14.113 18.121 1.00 0.00 C ATOM 376 CE2 PHE C 24 30.251 13.666 20.435 1.00 0.00 C ATOM 377 CZ PHE C 24 29.364 14.180 19.483 1.00 0.00 C ATOM 0 H PHE C 24 35.313 11.923 17.301 1.00 0.00 H new ATOM 0 HA PHE C 24 33.808 14.285 17.526 1.00 0.00 H new ATOM 0 HB2 PHE C 24 32.951 11.912 17.250 1.00 0.00 H new ATOM 0 HB3 PHE C 24 33.374 11.606 18.923 1.00 0.00 H new ATOM 0 HD1 PHE C 24 31.135 13.479 16.663 1.00 0.00 H new ATOM 0 HD2 PHE C 24 32.142 12.686 20.763 1.00 0.00 H new ATOM 0 HE1 PHE C 24 29.000 14.511 17.386 1.00 0.00 H new ATOM 0 HE2 PHE C 24 30.005 13.719 21.485 1.00 0.00 H new ATOM 0 HZ PHE C 24 28.433 14.628 19.798 1.00 0.00 H new ATOM 387 N ASP C 25 35.233 13.209 20.310 1.00 0.00 N ATOM 388 CA ASP C 25 35.596 13.604 21.667 1.00 0.00 C ATOM 389 C ASP C 25 36.367 14.926 21.642 1.00 0.00 C ATOM 390 O ASP C 25 36.170 15.785 22.497 1.00 0.00 O ATOM 391 CB ASP C 25 36.458 12.520 22.314 1.00 0.00 C ATOM 392 CG ASP C 25 35.609 11.293 22.625 1.00 0.00 C ATOM 393 OD1 ASP C 25 34.395 11.408 22.574 1.00 0.00 O ATOM 394 OD2 ASP C 25 36.183 10.255 22.908 1.00 0.00 O1- ATOM 0 H ASP C 25 35.613 12.310 20.015 1.00 0.00 H new ATOM 0 HA ASP C 25 34.684 13.733 22.250 1.00 0.00 H new ATOM 0 HB2 ASP C 25 37.275 12.247 21.646 1.00 0.00 H new ATOM 0 HB3 ASP C 25 36.909 12.902 23.230 1.00 0.00 H new ATOM 399 N ILE C 26 37.245 15.085 20.659 1.00 0.00 N ATOM 400 CA ILE C 26 38.014 16.311 20.529 1.00 0.00 C ATOM 401 C ILE C 26 37.116 17.456 20.081 1.00 0.00 C ATOM 402 O ILE C 26 37.212 18.563 20.597 1.00 0.00 O ATOM 403 CB ILE C 26 39.137 16.108 19.518 1.00 0.00 C ATOM 404 CG1 ILE C 26 40.149 15.106 20.075 1.00 0.00 C ATOM 405 CG2 ILE C 26 39.830 17.443 19.262 1.00 0.00 C ATOM 406 CD1 ILE C 26 41.111 14.683 18.965 1.00 0.00 C ATOM 0 H ILE C 26 37.440 14.383 19.945 1.00 0.00 H new ATOM 0 HA ILE C 26 38.442 16.562 21.500 1.00 0.00 H new ATOM 0 HB ILE C 26 38.725 15.725 18.584 1.00 0.00 H new ATOM 0 HG12 ILE C 26 40.703 15.553 20.900 1.00 0.00 H new ATOM 0 HG13 ILE C 26 39.631 14.234 20.474 1.00 0.00 H new ATOM 0 HG21 ILE C 26 40.634 17.303 18.540 1.00 0.00 H new ATOM 0 HG22 ILE C 26 39.108 18.158 18.867 1.00 0.00 H new ATOM 0 HG23 ILE C 26 40.244 17.823 20.196 1.00 0.00 H new ATOM 0 HD11 ILE C 26 41.833 13.969 19.362 1.00 0.00 H new ATOM 0 HD12 ILE C 26 40.549 14.219 18.154 1.00 0.00 H new ATOM 0 HD13 ILE C 26 41.638 15.559 18.587 1.00 0.00 H new ATOM 418 N PHE C 27 36.249 17.183 19.114 1.00 0.00 N ATOM 419 CA PHE C 27 35.345 18.208 18.601 1.00 0.00 C ATOM 420 C PHE C 27 34.613 18.907 19.742 1.00 0.00 C ATOM 421 O PHE C 27 34.477 20.130 19.750 1.00 0.00 O ATOM 422 CB PHE C 27 34.326 17.577 17.653 1.00 0.00 C ATOM 423 CG PHE C 27 34.359 18.290 16.323 1.00 0.00 C ATOM 424 CD1 PHE C 27 33.684 19.506 16.164 1.00 0.00 C ATOM 425 CD2 PHE C 27 35.066 17.737 15.248 1.00 0.00 C ATOM 426 CE1 PHE C 27 33.716 20.168 14.930 1.00 0.00 C ATOM 427 CE2 PHE C 27 35.097 18.399 14.016 1.00 0.00 C ATOM 428 CZ PHE C 27 34.421 19.615 13.856 1.00 0.00 C ATOM 0 H PHE C 27 36.152 16.269 18.672 1.00 0.00 H new ATOM 0 HA PHE C 27 35.938 18.947 18.062 1.00 0.00 H new ATOM 0 HB2 PHE C 27 34.550 16.519 17.515 1.00 0.00 H new ATOM 0 HB3 PHE C 27 33.327 17.638 18.085 1.00 0.00 H new ATOM 0 HD1 PHE C 27 33.139 19.934 16.992 1.00 0.00 H new ATOM 0 HD2 PHE C 27 35.587 16.799 15.370 1.00 0.00 H new ATOM 0 HE1 PHE C 27 33.196 21.106 14.808 1.00 0.00 H new ATOM 0 HE2 PHE C 27 35.643 17.972 13.188 1.00 0.00 H new ATOM 0 HZ PHE C 27 34.444 20.125 12.904 1.00 0.00 H new ATOM 438 N VAL C 28 34.143 18.120 20.703 1.00 0.00 N ATOM 439 CA VAL C 28 33.427 18.670 21.850 1.00 0.00 C ATOM 440 C VAL C 28 34.391 19.313 22.836 1.00 0.00 C ATOM 441 O VAL C 28 34.109 19.384 24.027 1.00 0.00 O ATOM 442 CB VAL C 28 32.622 17.569 22.545 1.00 0.00 C ATOM 443 CG1 VAL C 28 31.560 17.027 21.584 1.00 0.00 C ATOM 444 CG2 VAL C 28 33.558 16.435 22.951 1.00 0.00 C ATOM 0 H VAL C 28 34.243 17.105 20.712 1.00 0.00 H new ATOM 0 HA VAL C 28 32.744 19.439 21.489 1.00 0.00 H new ATOM 0 HB VAL C 28 32.137 17.980 23.431 1.00 0.00 H new ATOM 0 HG11 VAL C 28 30.987 16.243 22.079 1.00 0.00 H new ATOM 0 HG12 VAL C 28 30.890 17.835 21.289 1.00 0.00 H new ATOM 0 HG13 VAL C 28 32.046 16.617 20.699 1.00 0.00 H new ATOM 0 HG21 VAL C 28 32.986 15.650 23.446 1.00 0.00 H new ATOM 0 HG22 VAL C 28 34.041 16.027 22.063 1.00 0.00 H new ATOM 0 HG23 VAL C 28 34.317 16.817 23.634 1.00 0.00 H new ATOM 454 N LEU C 29 35.529 19.778 22.330 1.00 0.00 N ATOM 455 CA LEU C 29 36.522 20.418 23.178 1.00 0.00 C ATOM 456 C LEU C 29 35.872 21.490 24.055 1.00 0.00 C ATOM 457 O LEU C 29 35.591 22.597 23.604 1.00 0.00 O ATOM 458 CB LEU C 29 37.614 21.050 22.318 1.00 0.00 C ATOM 459 CG LEU C 29 36.979 22.001 21.296 1.00 0.00 C ATOM 460 CD1 LEU C 29 37.465 23.429 21.549 1.00 0.00 C ATOM 461 CD2 LEU C 29 37.372 21.573 19.883 1.00 0.00 C ATOM 0 H LEU C 29 35.783 19.723 21.344 1.00 0.00 H new ATOM 0 HA LEU C 29 36.964 19.659 23.823 1.00 0.00 H new ATOM 0 HB2 LEU C 29 38.318 21.594 22.948 1.00 0.00 H new ATOM 0 HB3 LEU C 29 38.181 20.274 21.804 1.00 0.00 H new ATOM 0 HG LEU C 29 35.894 21.964 21.398 1.00 0.00 H new ATOM 0 HD11 LEU C 29 37.012 24.102 20.821 1.00 0.00 H new ATOM 0 HD12 LEU C 29 37.180 23.737 22.555 1.00 0.00 H new ATOM 0 HD13 LEU C 29 38.550 23.467 21.452 1.00 0.00 H new ATOM 0 HD21 LEU C 29 36.920 22.250 19.159 1.00 0.00 H new ATOM 0 HD22 LEU C 29 38.457 21.605 19.782 1.00 0.00 H new ATOM 0 HD23 LEU C 29 37.020 20.558 19.699 1.00 0.00 H new ATOM 473 N GLY C 30 35.634 21.150 25.310 1.00 0.00 N ATOM 474 CA GLY C 30 35.018 22.090 26.239 1.00 0.00 C ATOM 475 C GLY C 30 33.529 21.807 26.406 1.00 0.00 C ATOM 476 O GLY C 30 32.909 22.271 27.365 1.00 0.00 O ATOM 0 H GLY C 30 35.855 20.238 25.710 1.00 0.00 H new ATOM 0 HA2 GLY C 30 35.514 22.025 27.208 1.00 0.00 H new ATOM 0 HA3 GLY C 30 35.159 23.108 25.876 1.00 0.00 H new ATOM 480 N ALA C 31 32.958 21.039 25.477 1.00 0.00 N ATOM 481 CA ALA C 31 31.547 20.704 25.550 1.00 0.00 C ATOM 482 C ALA C 31 31.337 19.495 26.454 1.00 0.00 C ATOM 483 O ALA C 31 31.454 18.351 26.016 1.00 0.00 O ATOM 484 CB ALA C 31 31.023 20.392 24.149 1.00 0.00 C ATOM 0 H ALA C 31 33.450 20.644 24.676 1.00 0.00 H new ATOM 0 HA ALA C 31 31.003 21.553 25.964 1.00 0.00 H new ATOM 0 HB1 ALA C 31 29.964 20.141 24.204 1.00 0.00 H new ATOM 0 HB2 ALA C 31 31.156 21.264 23.508 1.00 0.00 H new ATOM 0 HB3 ALA C 31 31.575 19.549 23.734 1.00 0.00 H new ATOM 490 N GLU C 32 31.027 19.759 27.715 1.00 0.00 N ATOM 491 CA GLU C 32 30.802 18.687 28.678 1.00 0.00 C ATOM 492 C GLU C 32 29.564 17.881 28.307 1.00 0.00 C ATOM 493 O GLU C 32 29.445 16.708 28.657 1.00 0.00 O ATOM 494 CB GLU C 32 30.639 19.269 30.084 1.00 0.00 C ATOM 495 CG GLU C 32 31.947 19.937 30.518 1.00 0.00 C ATOM 496 CD GLU C 32 31.700 21.410 30.826 1.00 0.00 C ATOM 497 OE1 GLU C 32 31.085 21.687 31.843 1.00 0.00 O ATOM 498 OE2 GLU C 32 32.129 22.239 30.039 1.00 0.00 O1- ATOM 0 H GLU C 32 30.926 20.700 28.095 1.00 0.00 H new ATOM 0 HA GLU C 32 31.667 18.024 28.661 1.00 0.00 H new ATOM 0 HB2 GLU C 32 29.826 19.995 30.096 1.00 0.00 H new ATOM 0 HB3 GLU C 32 30.371 18.480 30.787 1.00 0.00 H new ATOM 0 HG2 GLU C 32 32.347 19.435 31.398 1.00 0.00 H new ATOM 0 HG3 GLU C 32 32.693 19.842 29.729 1.00 0.00 H new ATOM 505 N ASP C 33 28.648 18.524 27.602 1.00 0.00 N ATOM 506 CA ASP C 33 27.414 17.862 27.186 1.00 0.00 C ATOM 507 C ASP C 33 27.709 16.791 26.139 1.00 0.00 C ATOM 508 O ASP C 33 26.910 15.874 25.936 1.00 0.00 O ATOM 509 CB ASP C 33 26.437 18.885 26.604 1.00 0.00 C ATOM 510 CG ASP C 33 25.030 18.298 26.555 1.00 0.00 C ATOM 511 OD1 ASP C 33 24.687 17.554 27.459 1.00 0.00 O ATOM 512 OD2 ASP C 33 24.317 18.598 25.612 1.00 0.00 O1- ATOM 0 H ASP C 33 28.730 19.496 27.306 1.00 0.00 H new ATOM 0 HA ASP C 33 26.967 17.391 28.061 1.00 0.00 H new ATOM 0 HB2 ASP C 33 26.441 19.790 27.212 1.00 0.00 H new ATOM 0 HB3 ASP C 33 26.754 19.173 25.602 1.00 0.00 H new ATOM 517 N GLY C 34 28.858 16.913 25.476 1.00 0.00 N ATOM 518 CA GLY C 34 29.244 15.943 24.459 1.00 0.00 C ATOM 519 C GLY C 34 28.509 16.211 23.155 1.00 0.00 C ATOM 520 O GLY C 34 28.499 15.372 22.255 1.00 0.00 O ATOM 0 H GLY C 34 29.530 17.666 25.624 1.00 0.00 H new ATOM 0 HA2 GLY C 34 30.320 15.992 24.292 1.00 0.00 H new ATOM 0 HA3 GLY C 34 29.021 14.935 24.808 1.00 0.00 H new ATOM 524 N CYS C 35 27.892 17.385 23.063 1.00 0.00 N ATOM 525 CA CYS C 35 27.148 17.755 21.858 1.00 0.00 C ATOM 526 C CYS C 35 27.839 18.904 21.135 1.00 0.00 C ATOM 527 O CYS C 35 28.420 19.786 21.766 1.00 0.00 O ATOM 528 CB CYS C 35 25.722 18.169 22.229 1.00 0.00 C ATOM 529 SG CYS C 35 24.899 16.799 23.076 1.00 0.00 S ATOM 0 H CYS C 35 27.890 18.092 23.799 1.00 0.00 H new ATOM 0 HA CYS C 35 27.114 16.890 21.196 1.00 0.00 H new ATOM 0 HB2 CYS C 35 25.743 19.049 22.872 1.00 0.00 H new ATOM 0 HB3 CYS C 35 25.166 18.443 21.332 1.00 0.00 H new ATOM 0 HG CYS C 35 24.457 17.205 24.229 1.00 0.00 H new ATOM 535 N ILE C 36 27.778 18.888 19.804 1.00 0.00 N ATOM 536 CA ILE C 36 28.413 19.941 19.013 1.00 0.00 C ATOM 537 C ILE C 36 27.367 20.925 18.511 1.00 0.00 C ATOM 538 O ILE C 36 26.466 20.553 17.759 1.00 0.00 O ATOM 539 CB ILE C 36 29.135 19.319 17.821 1.00 0.00 C ATOM 540 CG1 ILE C 36 30.181 18.315 18.319 1.00 0.00 C ATOM 541 CG2 ILE C 36 29.828 20.416 17.010 1.00 0.00 C ATOM 542 CD1 ILE C 36 30.737 17.505 17.140 1.00 0.00 C ATOM 0 H ILE C 36 27.303 18.169 19.258 1.00 0.00 H new ATOM 0 HA ILE C 36 29.128 20.471 19.642 1.00 0.00 H new ATOM 0 HB ILE C 36 28.410 18.805 17.190 1.00 0.00 H new ATOM 0 HG12 ILE C 36 30.991 18.842 18.823 1.00 0.00 H new ATOM 0 HG13 ILE C 36 29.733 17.644 19.052 1.00 0.00 H new ATOM 0 HG21 ILE C 36 30.343 19.969 16.159 1.00 0.00 H new ATOM 0 HG22 ILE C 36 29.085 21.128 16.651 1.00 0.00 H new ATOM 0 HG23 ILE C 36 30.551 20.933 17.641 1.00 0.00 H new ATOM 0 HD11 ILE C 36 31.479 16.795 17.504 1.00 0.00 H new ATOM 0 HD12 ILE C 36 29.925 16.964 16.655 1.00 0.00 H new ATOM 0 HD13 ILE C 36 31.203 18.180 16.422 1.00 0.00 H new ATOM 554 N SER C 37 27.497 22.180 18.931 1.00 0.00 N ATOM 555 CA SER C 37 26.561 23.223 18.523 1.00 0.00 C ATOM 556 C SER C 37 27.300 24.358 17.824 1.00 0.00 C ATOM 557 O SER C 37 28.483 24.236 17.507 1.00 0.00 O ATOM 558 CB SER C 37 25.819 23.770 19.742 1.00 0.00 C ATOM 559 OG SER C 37 26.637 24.730 20.399 1.00 0.00 O ATOM 0 H SER C 37 28.240 22.499 19.553 1.00 0.00 H new ATOM 0 HA SER C 37 25.842 22.788 17.829 1.00 0.00 H new ATOM 0 HB2 SER C 37 24.878 24.227 19.435 1.00 0.00 H new ATOM 0 HB3 SER C 37 25.571 22.958 20.426 1.00 0.00 H new ATOM 0 HG SER C 37 27.414 24.282 20.793 1.00 0.00 H new ATOM 565 N THR C 38 26.597 25.461 17.587 1.00 0.00 N ATOM 566 CA THR C 38 27.199 26.605 16.925 1.00 0.00 C ATOM 567 C THR C 38 28.335 27.167 17.772 1.00 0.00 C ATOM 568 O THR C 38 29.309 27.698 17.241 1.00 0.00 O ATOM 569 CB THR C 38 26.140 27.689 16.708 1.00 0.00 C ATOM 570 OG1 THR C 38 25.585 28.068 17.960 1.00 0.00 O ATOM 571 CG2 THR C 38 25.034 27.156 15.796 1.00 0.00 C ATOM 0 H THR C 38 25.617 25.583 17.843 1.00 0.00 H new ATOM 0 HA THR C 38 27.599 26.285 15.963 1.00 0.00 H new ATOM 0 HB THR C 38 26.604 28.557 16.239 1.00 0.00 H new ATOM 0 HG1 THR C 38 24.908 28.763 17.821 1.00 0.00 H new ATOM 0 HG21 THR C 38 24.283 27.931 15.644 1.00 0.00 H new ATOM 0 HG22 THR C 38 25.461 26.871 14.834 1.00 0.00 H new ATOM 0 HG23 THR C 38 24.569 26.285 16.258 1.00 0.00 H new ATOM 579 N LYS C 39 28.204 27.050 19.090 1.00 0.00 N ATOM 580 CA LYS C 39 29.232 27.558 19.988 1.00 0.00 C ATOM 581 C LYS C 39 30.532 26.776 19.816 1.00 0.00 C ATOM 582 O LYS C 39 31.614 27.363 19.752 1.00 0.00 O ATOM 583 CB LYS C 39 28.757 27.439 21.437 1.00 0.00 C ATOM 584 CG LYS C 39 27.546 28.351 21.654 1.00 0.00 C ATOM 585 CD LYS C 39 27.256 28.481 23.151 1.00 0.00 C ATOM 586 CE LYS C 39 28.066 29.646 23.729 1.00 0.00 C ATOM 587 NZ LYS C 39 27.780 29.777 25.182 1.00 0.00 N1+ ATOM 0 H LYS C 39 27.407 26.614 19.554 1.00 0.00 H new ATOM 0 HA LYS C 39 29.416 28.605 19.745 1.00 0.00 H new ATOM 0 HB2 LYS C 39 28.492 26.406 21.660 1.00 0.00 H new ATOM 0 HB3 LYS C 39 29.561 27.716 22.118 1.00 0.00 H new ATOM 0 HG2 LYS C 39 27.738 29.334 21.225 1.00 0.00 H new ATOM 0 HG3 LYS C 39 26.676 27.943 21.140 1.00 0.00 H new ATOM 0 HD2 LYS C 39 26.191 28.649 23.313 1.00 0.00 H new ATOM 0 HD3 LYS C 39 27.514 27.555 23.664 1.00 0.00 H new ATOM 0 HE2 LYS C 39 29.131 29.476 23.571 1.00 0.00 H new ATOM 0 HE3 LYS C 39 27.811 30.571 23.213 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 28.330 30.568 25.574 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 26.765 29.958 25.321 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 28.044 28.897 25.669 1.00 0.00 H new ATOM 601 N GLU C 40 30.422 25.451 19.731 1.00 0.00 N ATOM 602 CA GLU C 40 31.598 24.608 19.552 1.00 0.00 C ATOM 603 C GLU C 40 32.152 24.750 18.138 1.00 0.00 C ATOM 604 O GLU C 40 33.368 24.801 17.928 1.00 0.00 O ATOM 605 CB GLU C 40 31.229 23.149 19.827 1.00 0.00 C ATOM 606 CG GLU C 40 30.892 22.974 21.314 1.00 0.00 C ATOM 607 CD GLU C 40 29.475 23.466 21.591 1.00 0.00 C ATOM 608 OE1 GLU C 40 28.793 23.819 20.644 1.00 0.00 O ATOM 609 OE2 GLU C 40 29.094 23.491 22.749 1.00 0.00 O1- ATOM 0 H GLU C 40 29.538 24.944 19.783 1.00 0.00 H new ATOM 0 HA GLU C 40 32.368 24.926 20.255 1.00 0.00 H new ATOM 0 HB2 GLU C 40 30.376 22.857 19.214 1.00 0.00 H new ATOM 0 HB3 GLU C 40 32.057 22.496 19.552 1.00 0.00 H new ATOM 0 HG2 GLU C 40 30.982 21.925 21.594 1.00 0.00 H new ATOM 0 HG3 GLU C 40 31.604 23.529 21.924 1.00 0.00 H new ATOM 616 N LEU C 41 31.248 24.810 17.165 1.00 0.00 N ATOM 617 CA LEU C 41 31.653 24.939 15.779 1.00 0.00 C ATOM 618 C LEU C 41 32.342 26.275 15.551 1.00 0.00 C ATOM 619 O LEU C 41 33.209 26.393 14.691 1.00 0.00 O ATOM 620 CB LEU C 41 30.429 24.824 14.860 1.00 0.00 C ATOM 621 CG LEU C 41 30.738 23.885 13.692 1.00 0.00 C ATOM 622 CD1 LEU C 41 30.579 22.430 14.149 1.00 0.00 C ATOM 623 CD2 LEU C 41 29.767 24.162 12.542 1.00 0.00 C ATOM 0 H LEU C 41 30.240 24.771 17.314 1.00 0.00 H new ATOM 0 HA LEU C 41 32.353 24.137 15.546 1.00 0.00 H new ATOM 0 HB2 LEU C 41 29.575 24.448 15.423 1.00 0.00 H new ATOM 0 HB3 LEU C 41 30.153 25.809 14.483 1.00 0.00 H new ATOM 0 HG LEU C 41 31.761 24.053 13.355 1.00 0.00 H new ATOM 0 HD11 LEU C 41 30.799 21.761 13.317 1.00 0.00 H new ATOM 0 HD12 LEU C 41 31.269 22.229 14.969 1.00 0.00 H new ATOM 0 HD13 LEU C 41 29.556 22.264 14.487 1.00 0.00 H new ATOM 0 HD21 LEU C 41 29.988 23.493 11.710 1.00 0.00 H new ATOM 0 HD22 LEU C 41 28.745 23.995 12.881 1.00 0.00 H new ATOM 0 HD23 LEU C 41 29.876 25.196 12.215 1.00 0.00 H new ATOM 635 N GLY C 42 31.952 27.278 16.327 1.00 0.00 N ATOM 636 CA GLY C 42 32.544 28.601 16.194 1.00 0.00 C ATOM 637 C GLY C 42 34.047 28.552 16.446 1.00 0.00 C ATOM 638 O GLY C 42 34.828 29.166 15.722 1.00 0.00 O ATOM 0 H GLY C 42 31.235 27.202 17.048 1.00 0.00 H new ATOM 0 HA2 GLY C 42 32.351 28.991 15.195 1.00 0.00 H new ATOM 0 HA3 GLY C 42 32.075 29.286 16.900 1.00 0.00 H new ATOM 642 N LYS C 43 34.449 27.799 17.466 1.00 0.00 N ATOM 643 CA LYS C 43 35.863 27.668 17.794 1.00 0.00 C ATOM 644 C LYS C 43 36.587 26.892 16.705 1.00 0.00 C ATOM 645 O LYS C 43 37.707 27.235 16.322 1.00 0.00 O ATOM 646 CB LYS C 43 36.017 26.948 19.136 1.00 0.00 C ATOM 647 CG LYS C 43 35.550 27.867 20.273 1.00 0.00 C ATOM 648 CD LYS C 43 36.709 28.757 20.739 1.00 0.00 C ATOM 649 CE LYS C 43 36.263 29.588 21.940 1.00 0.00 C ATOM 650 NZ LYS C 43 37.387 30.464 22.377 1.00 0.00 N1+ ATOM 0 H LYS C 43 33.821 27.275 18.075 1.00 0.00 H new ATOM 0 HA LYS C 43 36.302 28.663 17.866 1.00 0.00 H new ATOM 0 HB2 LYS C 43 35.432 26.028 19.135 1.00 0.00 H new ATOM 0 HB3 LYS C 43 37.058 26.664 19.290 1.00 0.00 H new ATOM 0 HG2 LYS C 43 34.719 28.486 19.933 1.00 0.00 H new ATOM 0 HG3 LYS C 43 35.182 27.269 21.107 1.00 0.00 H new ATOM 0 HD2 LYS C 43 37.568 28.142 21.008 1.00 0.00 H new ATOM 0 HD3 LYS C 43 37.027 29.412 19.928 1.00 0.00 H new ATOM 0 HE2 LYS C 43 35.396 30.194 21.676 1.00 0.00 H new ATOM 0 HE3 LYS C 43 35.958 28.934 22.757 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 37.087 31.032 23.195 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 38.202 29.876 22.644 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 37.657 31.097 21.597 1.00 0.00 H new ATOM 664 N VAL C 44 35.935 25.850 16.203 1.00 0.00 N ATOM 665 CA VAL C 44 36.525 25.036 15.145 1.00 0.00 C ATOM 666 C VAL C 44 36.716 25.869 13.882 1.00 0.00 C ATOM 667 O VAL C 44 37.745 25.778 13.212 1.00 0.00 O ATOM 668 CB VAL C 44 35.619 23.853 14.840 1.00 0.00 C ATOM 669 CG1 VAL C 44 36.143 23.106 13.605 1.00 0.00 C ATOM 670 CG2 VAL C 44 35.606 22.896 16.038 1.00 0.00 C ATOM 0 H VAL C 44 35.008 25.550 16.506 1.00 0.00 H new ATOM 0 HA VAL C 44 37.496 24.674 15.482 1.00 0.00 H new ATOM 0 HB VAL C 44 34.609 24.215 14.647 1.00 0.00 H new ATOM 0 HG11 VAL C 44 35.492 22.259 13.389 1.00 0.00 H new ATOM 0 HG12 VAL C 44 36.156 23.781 12.750 1.00 0.00 H new ATOM 0 HG13 VAL C 44 37.154 22.747 13.799 1.00 0.00 H new ATOM 0 HG21 VAL C 44 34.957 22.048 15.819 1.00 0.00 H new ATOM 0 HG22 VAL C 44 36.618 22.538 16.229 1.00 0.00 H new ATOM 0 HG23 VAL C 44 35.234 23.420 16.918 1.00 0.00 H new ATOM 680 N MET C 45 35.710 26.681 13.559 1.00 0.00 N ATOM 681 CA MET C 45 35.779 27.522 12.376 1.00 0.00 C ATOM 682 C MET C 45 36.944 28.498 12.484 1.00 0.00 C ATOM 683 O MET C 45 37.647 28.761 11.505 1.00 0.00 O ATOM 684 CB MET C 45 34.471 28.298 12.205 1.00 0.00 C ATOM 685 CG MET C 45 33.365 27.341 11.761 1.00 0.00 C ATOM 686 SD MET C 45 33.624 26.875 10.031 1.00 0.00 S ATOM 687 CE MET C 45 33.444 25.087 10.250 1.00 0.00 C ATOM 0 H MET C 45 34.848 26.771 14.097 1.00 0.00 H new ATOM 0 HA MET C 45 35.934 26.883 11.507 1.00 0.00 H new ATOM 0 HB2 MET C 45 34.196 28.779 13.144 1.00 0.00 H new ATOM 0 HB3 MET C 45 34.599 29.090 11.467 1.00 0.00 H new ATOM 0 HG2 MET C 45 33.365 26.452 12.392 1.00 0.00 H new ATOM 0 HG3 MET C 45 32.391 27.815 11.878 1.00 0.00 H new ATOM 0 HE1 MET C 45 33.569 24.588 9.289 1.00 0.00 H new ATOM 0 HE2 MET C 45 34.202 24.728 10.946 1.00 0.00 H new ATOM 0 HE3 MET C 45 32.453 24.867 10.647 1.00 0.00 H new ATOM 697 N ARG C 46 37.149 29.033 13.682 1.00 0.00 N ATOM 698 CA ARG C 46 38.232 29.974 13.902 1.00 0.00 C ATOM 699 C ARG C 46 39.570 29.315 13.580 1.00 0.00 C ATOM 700 O ARG C 46 40.444 29.931 12.974 1.00 0.00 O ATOM 701 CB ARG C 46 38.232 30.447 15.363 1.00 0.00 C ATOM 702 CG ARG C 46 39.285 31.546 15.578 1.00 0.00 C ATOM 703 CD ARG C 46 38.762 32.881 15.038 1.00 0.00 C ATOM 704 NE ARG C 46 39.740 33.929 15.250 1.00 0.00 N ATOM 705 CZ ARG C 46 40.706 34.152 14.363 1.00 0.00 C ATOM 706 NH1 ARG C 46 40.788 33.422 13.281 1.00 0.00 N ATOM 707 NH2 ARG C 46 41.573 35.101 14.575 1.00 0.00 N1+ ATOM 0 H ARG C 46 36.583 28.832 14.507 1.00 0.00 H new ATOM 0 HA ARG C 46 38.087 30.833 13.247 1.00 0.00 H new ATOM 0 HB2 ARG C 46 37.245 30.825 15.628 1.00 0.00 H new ATOM 0 HB3 ARG C 46 38.438 29.605 16.023 1.00 0.00 H new ATOM 0 HG2 ARG C 46 39.516 31.638 16.639 1.00 0.00 H new ATOM 0 HG3 ARG C 46 40.212 31.277 15.072 1.00 0.00 H new ATOM 0 HD2 ARG C 46 38.542 32.789 13.974 1.00 0.00 H new ATOM 0 HD3 ARG C 46 37.827 33.141 15.535 1.00 0.00 H new ATOM 0 HE ARG C 46 39.687 34.504 16.091 1.00 0.00 H new ATOM 0 HH11 ARG C 46 40.110 32.679 13.115 1.00 0.00 H new ATOM 0 HH12 ARG C 46 41.530 33.596 12.603 1.00 0.00 H new ATOM 0 HH21 ARG C 46 41.510 35.670 15.419 1.00 0.00 H new ATOM 0 HH22 ARG C 46 42.315 35.275 13.897 1.00 0.00 H new ATOM 721 N MET C 47 39.719 28.061 13.983 1.00 0.00 N ATOM 722 CA MET C 47 40.949 27.329 13.724 1.00 0.00 C ATOM 723 C MET C 47 41.191 27.218 12.223 1.00 0.00 C ATOM 724 O MET C 47 42.322 27.329 11.753 1.00 0.00 O ATOM 725 CB MET C 47 40.868 25.931 14.341 1.00 0.00 C ATOM 726 CG MET C 47 42.200 25.205 14.143 1.00 0.00 C ATOM 727 SD MET C 47 42.099 23.551 14.869 1.00 0.00 S ATOM 728 CE MET C 47 42.061 24.051 16.607 1.00 0.00 C ATOM 0 H MET C 47 39.007 27.532 14.488 1.00 0.00 H new ATOM 0 HA MET C 47 41.779 27.871 14.177 1.00 0.00 H new ATOM 0 HB2 MET C 47 40.637 26.004 15.404 1.00 0.00 H new ATOM 0 HB3 MET C 47 40.061 25.364 13.877 1.00 0.00 H new ATOM 0 HG2 MET C 47 42.433 25.134 13.081 1.00 0.00 H new ATOM 0 HG3 MET C 47 43.007 25.770 14.609 1.00 0.00 H new ATOM 0 HE1 MET C 47 42.753 23.433 17.179 1.00 0.00 H new ATOM 0 HE2 MET C 47 42.355 25.097 16.691 1.00 0.00 H new ATOM 0 HE3 MET C 47 41.052 23.925 17.000 1.00 0.00 H new ATOM 738 N LEU C 48 40.118 26.996 11.482 1.00 0.00 N ATOM 739 CA LEU C 48 40.210 26.870 10.029 1.00 0.00 C ATOM 740 C LEU C 48 40.516 28.222 9.395 1.00 0.00 C ATOM 741 O LEU C 48 40.891 28.296 8.224 1.00 0.00 O ATOM 742 CB LEU C 48 38.896 26.326 9.461 1.00 0.00 C ATOM 743 CG LEU C 48 38.678 24.895 9.965 1.00 0.00 C ATOM 744 CD1 LEU C 48 37.288 24.413 9.546 1.00 0.00 C ATOM 745 CD2 LEU C 48 39.740 23.960 9.371 1.00 0.00 C ATOM 0 H LEU C 48 39.174 26.899 11.857 1.00 0.00 H new ATOM 0 HA LEU C 48 41.018 26.177 9.796 1.00 0.00 H new ATOM 0 HB2 LEU C 48 38.064 26.961 9.766 1.00 0.00 H new ATOM 0 HB3 LEU C 48 38.925 26.339 8.371 1.00 0.00 H new ATOM 0 HG LEU C 48 38.760 24.885 11.052 1.00 0.00 H new ATOM 0 HD11 LEU C 48 37.133 23.395 9.904 1.00 0.00 H new ATOM 0 HD12 LEU C 48 36.531 25.069 9.976 1.00 0.00 H new ATOM 0 HD13 LEU C 48 37.209 24.431 8.459 1.00 0.00 H new ATOM 0 HD21 LEU C 48 39.576 22.946 9.735 1.00 0.00 H new ATOM 0 HD22 LEU C 48 39.667 23.971 8.283 1.00 0.00 H new ATOM 0 HD23 LEU C 48 40.732 24.298 9.672 1.00 0.00 H new ATOM 757 N GLY C 49 40.349 29.286 10.172 1.00 0.00 N ATOM 758 CA GLY C 49 40.607 30.630 9.671 1.00 0.00 C ATOM 759 C GLY C 49 39.330 31.273 9.144 1.00 0.00 C ATOM 760 O GLY C 49 39.380 32.292 8.457 1.00 0.00 O ATOM 0 H GLY C 49 40.039 29.245 11.143 1.00 0.00 H new ATOM 0 HA2 GLY C 49 41.025 31.245 10.468 1.00 0.00 H new ATOM 0 HA3 GLY C 49 41.352 30.589 8.876 1.00 0.00 H new ATOM 764 N GLN C 50 38.189 30.669 9.470 1.00 0.00 N ATOM 765 CA GLN C 50 36.901 31.189 9.027 1.00 0.00 C ATOM 766 C GLN C 50 36.113 31.741 10.208 1.00 0.00 C ATOM 767 O GLN C 50 36.070 31.136 11.279 1.00 0.00 O ATOM 768 CB GLN C 50 36.099 30.075 8.350 1.00 0.00 C ATOM 769 CG GLN C 50 36.798 29.644 7.059 1.00 0.00 C ATOM 770 CD GLN C 50 36.776 30.785 6.046 1.00 0.00 C ATOM 771 OE1 GLN C 50 35.773 31.489 5.928 1.00 0.00 O ATOM 772 NE2 GLN C 50 37.825 31.012 5.305 1.00 0.00 N ATOM 0 H GLN C 50 38.132 29.823 10.037 1.00 0.00 H new ATOM 0 HA GLN C 50 37.077 31.996 8.316 1.00 0.00 H new ATOM 0 HB2 GLN C 50 36.002 29.223 9.023 1.00 0.00 H new ATOM 0 HB3 GLN C 50 35.090 30.423 8.129 1.00 0.00 H new ATOM 0 HG2 GLN C 50 37.827 29.356 7.272 1.00 0.00 H new ATOM 0 HG3 GLN C 50 36.302 28.768 6.642 1.00 0.00 H new ATOM 0 HE21 GLN C 50 38.655 30.428 5.404 1.00 0.00 H new ATOM 0 HE22 GLN C 50 37.815 31.774 4.627 1.00 0.00 H new ATOM 781 N ASN C 51 35.491 32.896 9.998 1.00 0.00 N ATOM 782 CA ASN C 51 34.696 33.539 11.039 1.00 0.00 C ATOM 783 C ASN C 51 33.318 33.927 10.514 1.00 0.00 C ATOM 784 O ASN C 51 33.045 35.100 10.261 1.00 0.00 O ATOM 785 CB ASN C 51 35.414 34.782 11.565 1.00 0.00 C ATOM 786 CG ASN C 51 36.618 34.368 12.398 1.00 0.00 C ATOM 787 OD1 ASN C 51 36.512 33.455 13.217 1.00 0.00 O ATOM 788 ND2 ASN C 51 37.757 34.987 12.242 1.00 0.00 N ATOM 0 H ASN C 51 35.522 33.407 9.116 1.00 0.00 H new ATOM 0 HA ASN C 51 34.570 32.825 11.852 1.00 0.00 H new ATOM 0 HB2 ASN C 51 35.734 35.408 10.732 1.00 0.00 H new ATOM 0 HB3 ASN C 51 34.731 35.380 12.169 1.00 0.00 H new ATOM 0 HD21 ASN C 51 38.566 34.715 12.801 1.00 0.00 H new ATOM 0 HD22 ASN C 51 37.838 35.743 11.562 1.00 0.00 H new ATOM 795 N PRO C 52 32.452 32.961 10.345 1.00 0.00 N ATOM 796 CA PRO C 52 31.073 33.193 9.835 1.00 0.00 C ATOM 797 C PRO C 52 30.167 33.796 10.894 1.00 0.00 C ATOM 798 O PRO C 52 30.634 34.222 11.955 1.00 0.00 O ATOM 799 CB PRO C 52 30.598 31.802 9.428 1.00 0.00 C ATOM 800 CG PRO C 52 31.372 30.857 10.277 1.00 0.00 C ATOM 801 CD PRO C 52 32.692 31.535 10.625 1.00 0.00 C ATOM 0 HA PRO C 52 31.053 33.907 9.012 1.00 0.00 H new ATOM 0 HB2 PRO C 52 29.526 31.689 9.591 1.00 0.00 H new ATOM 0 HB3 PRO C 52 30.780 31.619 8.369 1.00 0.00 H new ATOM 0 HG2 PRO C 52 30.817 30.611 11.182 1.00 0.00 H new ATOM 0 HG3 PRO C 52 31.549 29.921 9.747 1.00 0.00 H new ATOM 0 HD2 PRO C 52 32.959 31.374 11.669 1.00 0.00 H new ATOM 0 HD3 PRO C 52 33.512 31.143 10.022 1.00 0.00 H new ATOM 809 N THR C 53 28.873 33.836 10.596 1.00 0.00 N ATOM 810 CA THR C 53 27.906 34.398 11.524 1.00 0.00 C ATOM 811 C THR C 53 26.990 33.312 12.088 1.00 0.00 C ATOM 812 O THR C 53 26.840 32.246 11.491 1.00 0.00 O ATOM 813 CB THR C 53 27.062 35.473 10.832 1.00 0.00 C ATOM 814 OG1 THR C 53 27.089 35.258 9.433 1.00 0.00 O ATOM 815 CG2 THR C 53 27.623 36.859 11.161 1.00 0.00 C ATOM 0 H THR C 53 28.474 33.488 9.724 1.00 0.00 H new ATOM 0 HA THR C 53 28.459 34.849 12.347 1.00 0.00 H new ATOM 0 HB THR C 53 26.033 35.416 11.186 1.00 0.00 H new ATOM 0 HG1 THR C 53 26.549 35.943 8.986 1.00 0.00 H new ATOM 0 HG21 THR C 53 27.021 37.622 10.667 1.00 0.00 H new ATOM 0 HG22 THR C 53 27.595 37.016 12.239 1.00 0.00 H new ATOM 0 HG23 THR C 53 28.653 36.927 10.811 1.00 0.00 H new ATOM 823 N PRO C 54 26.368 33.566 13.216 1.00 0.00 N ATOM 824 CA PRO C 54 25.436 32.589 13.853 1.00 0.00 C ATOM 825 C PRO C 54 24.395 32.049 12.862 1.00 0.00 C ATOM 826 O PRO C 54 24.095 30.858 12.869 1.00 0.00 O ATOM 827 CB PRO C 54 24.749 33.415 14.943 1.00 0.00 C ATOM 828 CG PRO C 54 25.703 34.507 15.277 1.00 0.00 C ATOM 829 CD PRO C 54 26.494 34.799 14.016 1.00 0.00 C ATOM 0 HA PRO C 54 25.960 31.710 14.228 1.00 0.00 H new ATOM 0 HB2 PRO C 54 23.800 33.818 14.590 1.00 0.00 H new ATOM 0 HB3 PRO C 54 24.530 32.804 15.819 1.00 0.00 H new ATOM 0 HG2 PRO C 54 25.170 35.396 15.614 1.00 0.00 H new ATOM 0 HG3 PRO C 54 26.366 34.206 16.088 1.00 0.00 H new ATOM 0 HD2 PRO C 54 26.092 35.661 13.484 1.00 0.00 H new ATOM 0 HD3 PRO C 54 27.537 35.022 14.243 1.00 0.00 H new ATOM 837 N GLU C 55 23.854 32.925 12.010 1.00 0.00 N ATOM 838 CA GLU C 55 22.870 32.515 11.041 1.00 0.00 C ATOM 839 C GLU C 55 23.445 31.474 10.092 1.00 0.00 C ATOM 840 O GLU C 55 22.792 30.484 9.777 1.00 0.00 O ATOM 841 CB GLU C 55 22.404 33.746 10.250 1.00 0.00 C ATOM 842 CG GLU C 55 21.379 33.315 9.218 1.00 0.00 C ATOM 843 CD GLU C 55 20.802 34.532 8.497 1.00 0.00 C ATOM 844 OE1 GLU C 55 21.248 35.628 8.780 1.00 0.00 O ATOM 845 OE2 GLU C 55 19.919 34.347 7.670 1.00 0.00 O1- ATOM 0 H GLU C 55 24.089 33.917 11.983 1.00 0.00 H new ATOM 0 HA GLU C 55 22.024 32.066 11.562 1.00 0.00 H new ATOM 0 HB2 GLU C 55 21.971 34.484 10.925 1.00 0.00 H new ATOM 0 HB3 GLU C 55 23.254 34.222 9.760 1.00 0.00 H new ATOM 0 HG2 GLU C 55 21.842 32.643 8.496 1.00 0.00 H new ATOM 0 HG3 GLU C 55 20.577 32.758 9.703 1.00 0.00 H new ATOM 852 N GLU C 56 24.666 31.716 9.630 1.00 0.00 N ATOM 853 CA GLU C 56 25.314 30.804 8.697 1.00 0.00 C ATOM 854 C GLU C 56 25.571 29.463 9.376 1.00 0.00 C ATOM 855 O GLU C 56 25.416 28.406 8.779 1.00 0.00 O ATOM 856 CB GLU C 56 26.641 31.395 8.227 1.00 0.00 C ATOM 857 CG GLU C 56 26.377 32.717 7.512 1.00 0.00 C ATOM 858 CD GLU C 56 27.690 33.325 7.031 1.00 0.00 C ATOM 859 OE1 GLU C 56 28.729 32.767 7.343 1.00 0.00 O ATOM 860 OE2 GLU C 56 27.640 34.342 6.355 1.00 0.00 O1- ATOM 0 H GLU C 56 25.224 32.531 9.885 1.00 0.00 H new ATOM 0 HA GLU C 56 24.659 30.656 7.838 1.00 0.00 H new ATOM 0 HB2 GLU C 56 27.303 31.554 9.078 1.00 0.00 H new ATOM 0 HB3 GLU C 56 27.145 30.699 7.556 1.00 0.00 H new ATOM 0 HG2 GLU C 56 25.711 32.554 6.665 1.00 0.00 H new ATOM 0 HG3 GLU C 56 25.872 33.409 8.186 1.00 0.00 H new ATOM 867 N LEU C 57 25.970 29.522 10.634 1.00 0.00 N ATOM 868 CA LEU C 57 26.251 28.301 11.392 1.00 0.00 C ATOM 869 C LEU C 57 24.970 27.515 11.649 1.00 0.00 C ATOM 870 O LEU C 57 24.976 26.281 11.663 1.00 0.00 O ATOM 871 CB LEU C 57 26.912 28.647 12.726 1.00 0.00 C ATOM 872 CG LEU C 57 28.261 29.322 12.463 1.00 0.00 C ATOM 873 CD1 LEU C 57 28.862 29.798 13.786 1.00 0.00 C ATOM 874 CD2 LEU C 57 29.222 28.337 11.793 1.00 0.00 C ATOM 0 H LEU C 57 26.108 30.389 11.154 1.00 0.00 H new ATOM 0 HA LEU C 57 26.929 27.686 10.800 1.00 0.00 H new ATOM 0 HB2 LEU C 57 26.267 29.310 13.303 1.00 0.00 H new ATOM 0 HB3 LEU C 57 27.054 27.744 13.320 1.00 0.00 H new ATOM 0 HG LEU C 57 28.107 30.175 11.802 1.00 0.00 H new ATOM 0 HD11 LEU C 57 29.822 30.278 13.598 1.00 0.00 H new ATOM 0 HD12 LEU C 57 28.186 30.511 14.257 1.00 0.00 H new ATOM 0 HD13 LEU C 57 29.007 28.944 14.448 1.00 0.00 H new ATOM 0 HD21 LEU C 57 30.178 28.828 11.611 1.00 0.00 H new ATOM 0 HD22 LEU C 57 29.374 27.477 12.445 1.00 0.00 H new ATOM 0 HD23 LEU C 57 28.799 28.004 10.845 1.00 0.00 H new ATOM 886 N GLN C 58 23.887 28.242 11.883 1.00 0.00 N ATOM 887 CA GLN C 58 22.607 27.602 12.172 1.00 0.00 C ATOM 888 C GLN C 58 22.129 26.768 10.986 1.00 0.00 C ATOM 889 O GLN C 58 21.656 25.642 11.154 1.00 0.00 O ATOM 890 CB GLN C 58 21.552 28.665 12.496 1.00 0.00 C ATOM 891 CG GLN C 58 20.260 27.996 12.980 1.00 0.00 C ATOM 892 CD GLN C 58 20.514 27.268 14.296 1.00 0.00 C ATOM 893 OE1 GLN C 58 20.978 27.875 15.261 1.00 0.00 O ATOM 894 NE2 GLN C 58 20.243 25.996 14.392 1.00 0.00 N ATOM 0 H GLN C 58 23.865 29.262 11.879 1.00 0.00 H new ATOM 0 HA GLN C 58 22.747 26.944 13.030 1.00 0.00 H new ATOM 0 HB2 GLN C 58 21.930 29.341 13.263 1.00 0.00 H new ATOM 0 HB3 GLN C 58 21.349 29.268 11.611 1.00 0.00 H new ATOM 0 HG2 GLN C 58 19.480 28.746 13.114 1.00 0.00 H new ATOM 0 HG3 GLN C 58 19.901 27.293 12.229 1.00 0.00 H new ATOM 0 HE21 GLN C 58 19.859 25.495 13.591 1.00 0.00 H new ATOM 0 HE22 GLN C 58 20.415 25.502 15.268 1.00 0.00 H new ATOM 903 N GLU C 59 22.247 27.330 9.789 1.00 0.00 N ATOM 904 CA GLU C 59 21.822 26.629 8.582 1.00 0.00 C ATOM 905 C GLU C 59 22.789 25.505 8.234 1.00 0.00 C ATOM 906 O GLU C 59 22.400 24.505 7.633 1.00 0.00 O ATOM 907 CB GLU C 59 21.722 27.612 7.416 1.00 0.00 C ATOM 908 CG GLU C 59 23.061 28.314 7.236 1.00 0.00 C ATOM 909 CD GLU C 59 23.002 29.267 6.048 1.00 0.00 C ATOM 910 OE1 GLU C 59 22.000 29.949 5.911 1.00 0.00 O ATOM 911 OE2 GLU C 59 23.961 29.304 5.294 1.00 0.00 O1- ATOM 0 H GLU C 59 22.630 28.261 9.628 1.00 0.00 H new ATOM 0 HA GLU C 59 20.842 26.190 8.769 1.00 0.00 H new ATOM 0 HB2 GLU C 59 21.449 27.084 6.502 1.00 0.00 H new ATOM 0 HB3 GLU C 59 20.937 28.344 7.608 1.00 0.00 H new ATOM 0 HG2 GLU C 59 23.315 28.865 8.141 1.00 0.00 H new ATOM 0 HG3 GLU C 59 23.848 27.576 7.081 1.00 0.00 H new ATOM 918 N MET C 60 24.048 25.670 8.631 1.00 0.00 N ATOM 919 CA MET C 60 25.055 24.649 8.364 1.00 0.00 C ATOM 920 C MET C 60 24.723 23.349 9.080 1.00 0.00 C ATOM 921 O MET C 60 24.775 22.272 8.485 1.00 0.00 O ATOM 922 CB MET C 60 26.433 25.142 8.807 1.00 0.00 C ATOM 923 CG MET C 60 27.052 26.016 7.715 1.00 0.00 C ATOM 924 SD MET C 60 28.638 26.667 8.292 1.00 0.00 S ATOM 925 CE MET C 60 29.271 27.186 6.677 1.00 0.00 C ATOM 0 H MET C 60 24.391 26.489 9.132 1.00 0.00 H new ATOM 0 HA MET C 60 25.063 24.458 7.291 1.00 0.00 H new ATOM 0 HB2 MET C 60 26.345 25.711 9.733 1.00 0.00 H new ATOM 0 HB3 MET C 60 27.083 24.292 9.016 1.00 0.00 H new ATOM 0 HG2 MET C 60 27.195 25.433 6.805 1.00 0.00 H new ATOM 0 HG3 MET C 60 26.379 26.836 7.465 1.00 0.00 H new ATOM 0 HE1 MET C 60 30.261 27.626 6.798 1.00 0.00 H new ATOM 0 HE2 MET C 60 29.337 26.321 6.017 1.00 0.00 H new ATOM 0 HE3 MET C 60 28.597 27.924 6.242 1.00 0.00 H new ATOM 935 N ILE C 61 24.379 23.457 10.359 1.00 0.00 N ATOM 936 CA ILE C 61 24.034 22.283 11.153 1.00 0.00 C ATOM 937 C ILE C 61 22.723 21.671 10.669 1.00 0.00 C ATOM 938 O ILE C 61 22.590 20.450 10.572 1.00 0.00 O ATOM 939 CB ILE C 61 23.923 22.657 12.623 1.00 0.00 C ATOM 940 CG1 ILE C 61 25.313 23.017 13.156 1.00 0.00 C ATOM 941 CG2 ILE C 61 23.365 21.468 13.409 1.00 0.00 C ATOM 942 CD1 ILE C 61 25.181 23.646 14.540 1.00 0.00 C ATOM 0 H ILE C 61 24.332 24.341 10.866 1.00 0.00 H new ATOM 0 HA ILE C 61 24.826 21.544 11.034 1.00 0.00 H new ATOM 0 HB ILE C 61 23.255 23.511 12.737 1.00 0.00 H new ATOM 0 HG12 ILE C 61 25.936 22.124 13.209 1.00 0.00 H new ATOM 0 HG13 ILE C 61 25.807 23.711 12.475 1.00 0.00 H new ATOM 0 HG21 ILE C 61 23.285 21.734 14.463 1.00 0.00 H new ATOM 0 HG22 ILE C 61 22.379 21.208 13.024 1.00 0.00 H new ATOM 0 HG23 ILE C 61 24.034 20.614 13.300 1.00 0.00 H new ATOM 0 HD11 ILE C 61 26.170 23.902 14.919 1.00 0.00 H new ATOM 0 HD12 ILE C 61 24.573 24.548 14.473 1.00 0.00 H new ATOM 0 HD13 ILE C 61 24.705 22.937 15.218 1.00 0.00 H new ATOM 954 N ASP C 62 21.756 22.533 10.374 1.00 0.00 N ATOM 955 CA ASP C 62 20.452 22.083 9.903 1.00 0.00 C ATOM 956 C ASP C 62 20.590 21.306 8.597 1.00 0.00 C ATOM 957 O ASP C 62 19.842 20.358 8.350 1.00 0.00 O ATOM 958 CB ASP C 62 19.517 23.272 9.704 1.00 0.00 C ATOM 959 CG ASP C 62 18.109 22.780 9.381 1.00 0.00 C ATOM 960 OD1 ASP C 62 17.970 21.614 9.050 1.00 0.00 O ATOM 961 OD2 ASP C 62 17.190 23.575 9.475 1.00 0.00 O1- ATOM 0 H ASP C 62 21.851 23.546 10.453 1.00 0.00 H new ATOM 0 HA ASP C 62 20.028 21.423 10.659 1.00 0.00 H new ATOM 0 HB2 ASP C 62 19.499 23.886 10.605 1.00 0.00 H new ATOM 0 HB3 ASP C 62 19.885 23.903 8.895 1.00 0.00 H new ATOM 966 N GLU C 63 21.528 21.731 7.759 1.00 0.00 N ATOM 967 CA GLU C 63 21.739 21.089 6.474 1.00 0.00 C ATOM 968 C GLU C 63 21.847 19.578 6.632 1.00 0.00 C ATOM 969 O GLU C 63 21.557 18.831 5.698 1.00 0.00 O ATOM 970 CB GLU C 63 23.022 21.622 5.835 1.00 0.00 C ATOM 971 CG GLU C 63 22.821 21.755 4.329 1.00 0.00 C ATOM 972 CD GLU C 63 21.973 22.984 4.023 1.00 0.00 C ATOM 973 OE1 GLU C 63 22.549 24.046 3.846 1.00 0.00 O1- ATOM 974 OE2 GLU C 63 20.763 22.848 3.968 1.00 0.00 O ATOM 0 H GLU C 63 22.152 22.516 7.948 1.00 0.00 H new ATOM 0 HA GLU C 63 20.884 21.314 5.836 1.00 0.00 H new ATOM 0 HB2 GLU C 63 23.281 22.589 6.265 1.00 0.00 H new ATOM 0 HB3 GLU C 63 23.853 20.948 6.044 1.00 0.00 H new ATOM 0 HG2 GLU C 63 23.787 21.836 3.831 1.00 0.00 H new ATOM 0 HG3 GLU C 63 22.335 20.861 3.938 1.00 0.00 H new ATOM 981 N VAL C 64 22.279 19.135 7.810 1.00 0.00 N ATOM 982 CA VAL C 64 22.434 17.708 8.072 1.00 0.00 C ATOM 983 C VAL C 64 21.533 17.257 9.214 1.00 0.00 C ATOM 984 O VAL C 64 21.090 16.106 9.253 1.00 0.00 O ATOM 985 CB VAL C 64 23.893 17.412 8.428 1.00 0.00 C ATOM 986 CG1 VAL C 64 24.770 17.578 7.186 1.00 0.00 C ATOM 987 CG2 VAL C 64 24.359 18.392 9.509 1.00 0.00 C ATOM 0 H VAL C 64 22.526 19.740 8.593 1.00 0.00 H new ATOM 0 HA VAL C 64 22.148 17.161 7.173 1.00 0.00 H new ATOM 0 HB VAL C 64 23.975 16.389 8.796 1.00 0.00 H new ATOM 0 HG11 VAL C 64 25.808 17.367 7.443 1.00 0.00 H new ATOM 0 HG12 VAL C 64 24.439 16.885 6.412 1.00 0.00 H new ATOM 0 HG13 VAL C 64 24.688 18.600 6.817 1.00 0.00 H new ATOM 0 HG21 VAL C 64 25.398 18.184 9.765 1.00 0.00 H new ATOM 0 HG22 VAL C 64 24.275 19.413 9.136 1.00 0.00 H new ATOM 0 HG23 VAL C 64 23.737 18.278 10.397 1.00 0.00 H new ATOM 997 N ASP C 65 21.269 18.161 10.150 1.00 0.00 N ATOM 998 CA ASP C 65 20.430 17.828 11.297 1.00 0.00 C ATOM 999 C ASP C 65 18.978 17.664 10.863 1.00 0.00 C ATOM 1000 O ASP C 65 18.332 18.622 10.438 1.00 0.00 O ATOM 1001 CB ASP C 65 20.530 18.932 12.350 1.00 0.00 C ATOM 1002 CG ASP C 65 20.098 18.405 13.712 1.00 0.00 C ATOM 1003 OD1 ASP C 65 19.665 17.268 13.774 1.00 0.00 O ATOM 1004 OD2 ASP C 65 20.199 19.152 14.671 1.00 0.00 O1- ATOM 0 H ASP C 65 21.618 19.119 10.140 1.00 0.00 H new ATOM 0 HA ASP C 65 20.779 16.887 11.723 1.00 0.00 H new ATOM 0 HB2 ASP C 65 21.554 19.301 12.404 1.00 0.00 H new ATOM 0 HB3 ASP C 65 19.902 19.775 12.063 1.00 0.00 H new ATOM 1009 N GLU C 66 18.478 16.441 10.968 1.00 0.00 N ATOM 1010 CA GLU C 66 17.101 16.150 10.581 1.00 0.00 C ATOM 1011 C GLU C 66 16.137 16.535 11.697 1.00 0.00 C ATOM 1012 O GLU C 66 14.984 16.886 11.441 1.00 0.00 O ATOM 1013 CB GLU C 66 16.950 14.662 10.260 1.00 0.00 C ATOM 1014 CG GLU C 66 17.822 14.309 9.053 1.00 0.00 C ATOM 1015 CD GLU C 66 17.710 12.820 8.748 1.00 0.00 C ATOM 1016 OE1 GLU C 66 16.600 12.315 8.757 1.00 0.00 O ATOM 1017 OE2 GLU C 66 18.736 12.206 8.509 1.00 0.00 O1- ATOM 0 H GLU C 66 19.000 15.637 11.316 1.00 0.00 H new ATOM 0 HA GLU C 66 16.862 16.737 9.694 1.00 0.00 H new ATOM 0 HB2 GLU C 66 17.243 14.062 11.121 1.00 0.00 H new ATOM 0 HB3 GLU C 66 15.906 14.429 10.049 1.00 0.00 H new ATOM 0 HG2 GLU C 66 17.510 14.891 8.186 1.00 0.00 H new ATOM 0 HG3 GLU C 66 18.861 14.570 9.255 1.00 0.00 H new ATOM 1024 N ASP C 67 16.612 16.461 12.939 1.00 0.00 N ATOM 1025 CA ASP C 67 15.775 16.802 14.083 1.00 0.00 C ATOM 1026 C ASP C 67 15.728 18.309 14.292 1.00 0.00 C ATOM 1027 O ASP C 67 14.863 18.818 15.005 1.00 0.00 O ATOM 1028 CB ASP C 67 16.327 16.127 15.340 1.00 0.00 C ATOM 1029 CG ASP C 67 17.849 16.239 15.362 1.00 0.00 C ATOM 1030 OD1 ASP C 67 18.346 17.213 15.901 1.00 0.00 O ATOM 1031 OD2 ASP C 67 18.495 15.347 14.838 1.00 0.00 O1- ATOM 0 H ASP C 67 17.561 16.171 13.175 1.00 0.00 H new ATOM 0 HA ASP C 67 14.762 16.449 13.888 1.00 0.00 H new ATOM 0 HB2 ASP C 67 15.906 16.595 16.230 1.00 0.00 H new ATOM 0 HB3 ASP C 67 16.030 15.078 15.361 1.00 0.00 H new ATOM 1036 N GLY C 68 16.645 19.019 13.650 1.00 0.00 N ATOM 1037 CA GLY C 68 16.683 20.471 13.763 1.00 0.00 C ATOM 1038 C GLY C 68 17.044 20.895 15.182 1.00 0.00 C ATOM 1039 O GLY C 68 16.793 22.032 15.583 1.00 0.00 O ATOM 0 H GLY C 68 17.367 18.618 13.051 1.00 0.00 H new ATOM 0 HA2 GLY C 68 17.412 20.876 13.061 1.00 0.00 H new ATOM 0 HA3 GLY C 68 15.713 20.887 13.490 1.00 0.00 H new ATOM 1043 N SER C 69 17.624 19.973 15.940 1.00 0.00 N ATOM 1044 CA SER C 69 18.007 20.259 17.317 1.00 0.00 C ATOM 1045 C SER C 69 19.046 21.375 17.368 1.00 0.00 C ATOM 1046 O SER C 69 19.250 22.001 18.408 1.00 0.00 O ATOM 1047 CB SER C 69 18.571 19.003 17.979 1.00 0.00 C ATOM 1048 OG SER C 69 19.741 18.593 17.283 1.00 0.00 O ATOM 0 H SER C 69 17.839 19.026 15.627 1.00 0.00 H new ATOM 0 HA SER C 69 17.117 20.583 17.857 1.00 0.00 H new ATOM 0 HB2 SER C 69 18.806 19.203 19.024 1.00 0.00 H new ATOM 0 HB3 SER C 69 17.828 18.206 17.966 1.00 0.00 H new ATOM 0 HG SER C 69 19.515 18.396 16.350 1.00 0.00 H new ATOM 1054 N GLY C 70 19.702 21.614 16.238 1.00 0.00 N ATOM 1055 CA GLY C 70 20.721 22.655 16.165 1.00 0.00 C ATOM 1056 C GLY C 70 22.066 22.129 16.653 1.00 0.00 C ATOM 1057 O GLY C 70 23.032 22.881 16.759 1.00 0.00 O ATOM 0 H GLY C 70 19.549 21.106 15.367 1.00 0.00 H new ATOM 0 HA2 GLY C 70 20.814 23.008 15.138 1.00 0.00 H new ATOM 0 HA3 GLY C 70 20.418 23.510 16.770 1.00 0.00 H new ATOM 1061 N THR C 71 22.118 20.835 16.950 1.00 0.00 N ATOM 1062 CA THR C 71 23.351 20.219 17.425 1.00 0.00 C ATOM 1063 C THR C 71 23.588 18.889 16.721 1.00 0.00 C ATOM 1064 O THR C 71 22.658 18.296 16.176 1.00 0.00 O ATOM 1065 CB THR C 71 23.278 19.993 18.935 1.00 0.00 C ATOM 1066 OG1 THR C 71 22.231 19.076 19.223 1.00 0.00 O ATOM 1067 CG2 THR C 71 23.002 21.322 19.637 1.00 0.00 C ATOM 0 H THR C 71 21.327 20.196 16.871 1.00 0.00 H new ATOM 0 HA THR C 71 24.179 20.891 17.201 1.00 0.00 H new ATOM 0 HB THR C 71 24.225 19.587 19.290 1.00 0.00 H new ATOM 0 HG1 THR C 71 21.591 19.067 18.481 1.00 0.00 H new ATOM 0 HG21 THR C 71 22.950 21.161 20.714 1.00 0.00 H new ATOM 0 HG22 THR C 71 23.805 22.025 19.414 1.00 0.00 H new ATOM 0 HG23 THR C 71 22.054 21.730 19.285 1.00 0.00 H new ATOM 1075 N VAL C 72 24.836 18.427 16.738 1.00 0.00 N ATOM 1076 CA VAL C 72 25.177 17.162 16.098 1.00 0.00 C ATOM 1077 C VAL C 72 25.623 16.148 17.149 1.00 0.00 C ATOM 1078 O VAL C 72 26.518 16.424 17.957 1.00 0.00 O ATOM 1079 CB VAL C 72 26.303 17.374 15.084 1.00 0.00 C ATOM 1080 CG1 VAL C 72 26.552 16.081 14.298 1.00 0.00 C ATOM 1081 CG2 VAL C 72 25.919 18.497 14.118 1.00 0.00 C ATOM 0 H VAL C 72 25.620 18.905 17.183 1.00 0.00 H new ATOM 0 HA VAL C 72 24.295 16.782 15.582 1.00 0.00 H new ATOM 0 HB VAL C 72 27.214 17.648 15.616 1.00 0.00 H new ATOM 0 HG11 VAL C 72 27.355 16.241 13.579 1.00 0.00 H new ATOM 0 HG12 VAL C 72 26.835 15.285 14.987 1.00 0.00 H new ATOM 0 HG13 VAL C 72 25.643 15.796 13.769 1.00 0.00 H new ATOM 0 HG21 VAL C 72 26.722 18.647 13.396 1.00 0.00 H new ATOM 0 HG22 VAL C 72 25.004 18.227 13.591 1.00 0.00 H new ATOM 0 HG23 VAL C 72 25.757 19.419 14.677 1.00 0.00 H new ATOM 1091 N ASP C 73 24.990 14.978 17.130 1.00 0.00 N ATOM 1092 CA ASP C 73 25.318 13.918 18.072 1.00 0.00 C ATOM 1093 C ASP C 73 26.235 12.885 17.423 1.00 0.00 C ATOM 1094 O ASP C 73 26.711 13.082 16.305 1.00 0.00 O ATOM 1095 CB ASP C 73 24.043 13.227 18.556 1.00 0.00 C ATOM 1096 CG ASP C 73 24.323 12.450 19.839 1.00 0.00 C ATOM 1097 OD1 ASP C 73 25.155 12.896 20.613 1.00 0.00 O ATOM 1098 OD2 ASP C 73 23.704 11.416 20.028 1.00 0.00 O1- ATOM 0 H ASP C 73 24.247 14.742 16.472 1.00 0.00 H new ATOM 0 HA ASP C 73 25.833 14.368 18.921 1.00 0.00 H new ATOM 0 HB2 ASP C 73 23.263 13.968 18.733 1.00 0.00 H new ATOM 0 HB3 ASP C 73 23.672 12.551 17.786 1.00 0.00 H new ATOM 1103 N PHE C 74 26.483 11.788 18.133 1.00 0.00 N ATOM 1104 CA PHE C 74 27.350 10.737 17.613 1.00 0.00 C ATOM 1105 C PHE C 74 26.750 10.102 16.361 1.00 0.00 C ATOM 1106 O PHE C 74 27.439 9.913 15.364 1.00 0.00 O ATOM 1107 CB PHE C 74 27.552 9.657 18.679 1.00 0.00 C ATOM 1108 CG PHE C 74 28.480 10.171 19.752 1.00 0.00 C ATOM 1109 CD1 PHE C 74 27.968 10.907 20.827 1.00 0.00 C ATOM 1110 CD2 PHE C 74 29.852 9.913 19.669 1.00 0.00 C ATOM 1111 CE1 PHE C 74 28.831 11.382 21.822 1.00 0.00 C ATOM 1112 CE2 PHE C 74 30.715 10.389 20.663 1.00 0.00 C ATOM 1113 CZ PHE C 74 30.205 11.124 21.740 1.00 0.00 C ATOM 0 H PHE C 74 26.100 11.605 19.061 1.00 0.00 H new ATOM 0 HA PHE C 74 28.308 11.186 17.352 1.00 0.00 H new ATOM 0 HB2 PHE C 74 26.593 9.380 19.116 1.00 0.00 H new ATOM 0 HB3 PHE C 74 27.968 8.757 18.225 1.00 0.00 H new ATOM 0 HD1 PHE C 74 26.909 11.108 20.889 1.00 0.00 H new ATOM 0 HD2 PHE C 74 30.246 9.347 18.838 1.00 0.00 H new ATOM 0 HE1 PHE C 74 28.437 11.948 22.653 1.00 0.00 H new ATOM 0 HE2 PHE C 74 31.774 10.189 20.599 1.00 0.00 H new ATOM 0 HZ PHE C 74 30.871 11.492 22.507 1.00 0.00 H new ATOM 1123 N ASP C 75 25.467 9.775 16.425 1.00 0.00 N ATOM 1124 CA ASP C 75 24.786 9.157 15.295 1.00 0.00 C ATOM 1125 C ASP C 75 24.641 10.140 14.141 1.00 0.00 C ATOM 1126 O ASP C 75 24.853 9.790 12.980 1.00 0.00 O ATOM 1127 CB ASP C 75 23.401 8.665 15.725 1.00 0.00 C ATOM 1128 CG ASP C 75 22.645 9.787 16.428 1.00 0.00 C ATOM 1129 OD1 ASP C 75 23.157 10.292 17.412 1.00 0.00 O ATOM 1130 OD2 ASP C 75 21.564 10.125 15.973 1.00 0.00 O1- ATOM 0 H ASP C 75 24.878 9.926 17.244 1.00 0.00 H new ATOM 0 HA ASP C 75 25.387 8.312 14.958 1.00 0.00 H new ATOM 0 HB2 ASP C 75 22.839 8.327 14.854 1.00 0.00 H new ATOM 0 HB3 ASP C 75 23.501 7.809 16.392 1.00 0.00 H new ATOM 1135 N GLU C 76 24.278 11.375 14.467 1.00 0.00 N ATOM 1136 CA GLU C 76 24.106 12.404 13.447 1.00 0.00 C ATOM 1137 C GLU C 76 25.429 12.689 12.743 1.00 0.00 C ATOM 1138 O GLU C 76 25.470 12.893 11.531 1.00 0.00 O ATOM 1139 CB GLU C 76 23.571 13.686 14.083 1.00 0.00 C ATOM 1140 CG GLU C 76 22.129 13.467 14.545 1.00 0.00 C ATOM 1141 CD GLU C 76 21.593 14.733 15.204 1.00 0.00 C ATOM 1142 OE1 GLU C 76 22.234 15.762 15.073 1.00 0.00 O ATOM 1143 OE2 GLU C 76 20.551 14.655 15.834 1.00 0.00 O1- ATOM 0 H GLU C 76 24.098 11.687 15.421 1.00 0.00 H new ATOM 0 HA GLU C 76 23.390 12.042 12.709 1.00 0.00 H new ATOM 0 HB2 GLU C 76 24.195 13.972 14.930 1.00 0.00 H new ATOM 0 HB3 GLU C 76 23.613 14.505 13.365 1.00 0.00 H new ATOM 0 HG2 GLU C 76 21.503 13.197 13.694 1.00 0.00 H new ATOM 0 HG3 GLU C 76 22.086 12.635 15.248 1.00 0.00 H new ATOM 1150 N PHE C 77 26.513 12.699 13.514 1.00 0.00 N ATOM 1151 CA PHE C 77 27.834 12.955 12.957 1.00 0.00 C ATOM 1152 C PHE C 77 28.203 11.867 11.953 1.00 0.00 C ATOM 1153 O PHE C 77 28.728 12.154 10.876 1.00 0.00 O ATOM 1154 CB PHE C 77 28.877 12.997 14.073 1.00 0.00 C ATOM 1155 CG PHE C 77 30.209 13.419 13.502 1.00 0.00 C ATOM 1156 CD1 PHE C 77 31.060 12.468 12.929 1.00 0.00 C ATOM 1157 CD2 PHE C 77 30.592 14.766 13.543 1.00 0.00 C ATOM 1158 CE1 PHE C 77 32.293 12.859 12.399 1.00 0.00 C ATOM 1159 CE2 PHE C 77 31.828 15.158 13.013 1.00 0.00 C ATOM 1160 CZ PHE C 77 32.678 14.205 12.442 1.00 0.00 C ATOM 0 H PHE C 77 26.501 12.534 14.520 1.00 0.00 H new ATOM 0 HA PHE C 77 27.815 13.919 12.448 1.00 0.00 H new ATOM 0 HB2 PHE C 77 28.565 13.694 14.850 1.00 0.00 H new ATOM 0 HB3 PHE C 77 28.964 12.016 14.541 1.00 0.00 H new ATOM 0 HD1 PHE C 77 30.764 11.430 12.896 1.00 0.00 H new ATOM 0 HD2 PHE C 77 29.935 15.502 13.983 1.00 0.00 H new ATOM 0 HE1 PHE C 77 32.948 12.124 11.957 1.00 0.00 H new ATOM 0 HE2 PHE C 77 32.125 16.196 13.045 1.00 0.00 H new ATOM 0 HZ PHE C 77 33.631 14.507 12.034 1.00 0.00 H new ATOM 1170 N LEU C 78 27.924 10.616 12.315 1.00 0.00 N ATOM 1171 CA LEU C 78 28.237 9.495 11.435 1.00 0.00 C ATOM 1172 C LEU C 78 27.487 9.628 10.116 1.00 0.00 C ATOM 1173 O LEU C 78 28.022 9.314 9.053 1.00 0.00 O ATOM 1174 CB LEU C 78 27.850 8.178 12.110 1.00 0.00 C ATOM 1175 CG LEU C 78 28.801 7.904 13.279 1.00 0.00 C ATOM 1176 CD1 LEU C 78 28.282 6.719 14.095 1.00 0.00 C ATOM 1177 CD2 LEU C 78 30.203 7.584 12.750 1.00 0.00 C ATOM 0 H LEU C 78 27.488 10.356 13.200 1.00 0.00 H new ATOM 0 HA LEU C 78 29.309 9.501 11.236 1.00 0.00 H new ATOM 0 HB2 LEU C 78 26.822 8.229 12.468 1.00 0.00 H new ATOM 0 HB3 LEU C 78 27.897 7.361 11.390 1.00 0.00 H new ATOM 0 HG LEU C 78 28.851 8.790 13.912 1.00 0.00 H new ATOM 0 HD11 LEU C 78 28.960 6.525 14.926 1.00 0.00 H new ATOM 0 HD12 LEU C 78 27.290 6.950 14.482 1.00 0.00 H new ATOM 0 HD13 LEU C 78 28.226 5.836 13.459 1.00 0.00 H new ATOM 0 HD21 LEU C 78 30.873 7.391 13.588 1.00 0.00 H new ATOM 0 HD22 LEU C 78 30.158 6.703 12.110 1.00 0.00 H new ATOM 0 HD23 LEU C 78 30.577 8.431 12.175 1.00 0.00 H new ATOM 1189 N VAL C 79 26.244 10.081 10.195 1.00 0.00 N ATOM 1190 CA VAL C 79 25.429 10.238 9.000 1.00 0.00 C ATOM 1191 C VAL C 79 26.053 11.245 8.041 1.00 0.00 C ATOM 1192 O VAL C 79 26.116 11.006 6.835 1.00 0.00 O ATOM 1193 CB VAL C 79 24.018 10.700 9.386 1.00 0.00 C ATOM 1194 CG1 VAL C 79 23.222 11.040 8.123 1.00 0.00 C ATOM 1195 CG2 VAL C 79 23.303 9.589 10.158 1.00 0.00 C ATOM 0 H VAL C 79 25.782 10.344 11.065 1.00 0.00 H new ATOM 0 HA VAL C 79 25.373 9.272 8.498 1.00 0.00 H new ATOM 0 HB VAL C 79 24.092 11.587 10.016 1.00 0.00 H new ATOM 0 HG11 VAL C 79 22.220 11.368 8.401 1.00 0.00 H new ATOM 0 HG12 VAL C 79 23.727 11.838 7.579 1.00 0.00 H new ATOM 0 HG13 VAL C 79 23.151 10.156 7.489 1.00 0.00 H new ATOM 0 HG21 VAL C 79 22.301 9.922 10.430 1.00 0.00 H new ATOM 0 HG22 VAL C 79 23.233 8.699 9.533 1.00 0.00 H new ATOM 0 HG23 VAL C 79 23.865 9.354 11.062 1.00 0.00 H new ATOM 1205 N MET C 80 26.511 12.361 8.585 1.00 0.00 N ATOM 1206 CA MET C 80 27.128 13.400 7.775 1.00 0.00 C ATOM 1207 C MET C 80 28.421 12.894 7.157 1.00 0.00 C ATOM 1208 O MET C 80 28.734 13.186 6.003 1.00 0.00 O ATOM 1209 CB MET C 80 27.409 14.636 8.629 1.00 0.00 C ATOM 1210 CG MET C 80 28.037 15.729 7.760 1.00 0.00 C ATOM 1211 SD MET C 80 29.822 15.452 7.644 1.00 0.00 S ATOM 1212 CE MET C 80 30.241 15.858 9.357 1.00 0.00 C ATOM 0 H MET C 80 26.468 12.571 9.582 1.00 0.00 H new ATOM 0 HA MET C 80 26.439 13.669 6.975 1.00 0.00 H new ATOM 0 HB2 MET C 80 26.484 15.000 9.076 1.00 0.00 H new ATOM 0 HB3 MET C 80 28.080 14.379 9.449 1.00 0.00 H new ATOM 0 HG2 MET C 80 27.591 15.720 6.766 1.00 0.00 H new ATOM 0 HG3 MET C 80 27.837 16.711 8.190 1.00 0.00 H new ATOM 0 HE1 MET C 80 31.110 16.515 9.373 1.00 0.00 H new ATOM 0 HE2 MET C 80 29.397 16.361 9.829 1.00 0.00 H new ATOM 0 HE3 MET C 80 30.468 14.942 9.903 1.00 0.00 H new ATOM 1222 N MET C 81 29.175 12.140 7.945 1.00 0.00 N ATOM 1223 CA MET C 81 30.452 11.597 7.474 1.00 0.00 C ATOM 1224 C MET C 81 30.245 10.611 6.336 1.00 0.00 C ATOM 1225 O MET C 81 30.965 10.634 5.336 1.00 0.00 O ATOM 1226 CB MET C 81 31.194 10.919 8.623 1.00 0.00 C ATOM 1227 CG MET C 81 32.512 10.329 8.104 1.00 0.00 C ATOM 1228 SD MET C 81 33.601 9.948 9.498 1.00 0.00 S ATOM 1229 CE MET C 81 34.382 11.578 9.622 1.00 0.00 C ATOM 0 H MET C 81 28.933 11.890 8.904 1.00 0.00 H new ATOM 0 HA MET C 81 31.051 12.427 7.100 1.00 0.00 H new ATOM 0 HB2 MET C 81 31.393 11.639 9.417 1.00 0.00 H new ATOM 0 HB3 MET C 81 30.576 10.132 9.055 1.00 0.00 H new ATOM 0 HG2 MET C 81 32.315 9.426 7.527 1.00 0.00 H new ATOM 0 HG3 MET C 81 32.999 11.036 7.433 1.00 0.00 H new ATOM 0 HE1 MET C 81 35.107 11.573 10.436 1.00 0.00 H new ATOM 0 HE2 MET C 81 34.889 11.811 8.686 1.00 0.00 H new ATOM 0 HE3 MET C 81 33.620 12.332 9.819 1.00 0.00 H new ATOM 1239 N VAL C 82 29.259 9.740 6.495 1.00 0.00 N ATOM 1240 CA VAL C 82 28.968 8.738 5.479 1.00 0.00 C ATOM 1241 C VAL C 82 28.624 9.410 4.155 1.00 0.00 C ATOM 1242 O VAL C 82 29.100 8.994 3.099 1.00 0.00 O ATOM 1243 CB VAL C 82 27.796 7.863 5.931 1.00 0.00 C ATOM 1244 CG1 VAL C 82 27.343 6.974 4.772 1.00 0.00 C ATOM 1245 CG2 VAL C 82 28.241 6.982 7.101 1.00 0.00 C ATOM 0 H VAL C 82 28.650 9.706 7.313 1.00 0.00 H new ATOM 0 HA VAL C 82 29.852 8.116 5.340 1.00 0.00 H new ATOM 0 HB VAL C 82 26.969 8.500 6.245 1.00 0.00 H new ATOM 0 HG11 VAL C 82 26.509 6.352 5.095 1.00 0.00 H new ATOM 0 HG12 VAL C 82 27.027 7.599 3.936 1.00 0.00 H new ATOM 0 HG13 VAL C 82 28.170 6.337 4.457 1.00 0.00 H new ATOM 0 HG21 VAL C 82 27.408 6.358 7.424 1.00 0.00 H new ATOM 0 HG22 VAL C 82 29.068 6.347 6.784 1.00 0.00 H new ATOM 0 HG23 VAL C 82 28.564 7.613 7.929 1.00 0.00 H new ATOM 1255 N ARG C 83 27.795 10.447 4.215 1.00 0.00 N ATOM 1256 CA ARG C 83 27.401 11.160 3.008 1.00 0.00 C ATOM 1257 C ARG C 83 28.612 11.825 2.355 1.00 0.00 C ATOM 1258 O ARG C 83 28.808 11.733 1.146 1.00 0.00 O ATOM 1259 CB ARG C 83 26.366 12.229 3.356 1.00 0.00 C ATOM 1260 CG ARG C 83 25.056 11.559 3.768 1.00 0.00 C ATOM 1261 CD ARG C 83 24.042 12.624 4.188 1.00 0.00 C ATOM 1262 NE ARG C 83 23.748 13.507 3.065 1.00 0.00 N ATOM 1263 CZ ARG C 83 22.901 13.142 2.109 1.00 0.00 C ATOM 1264 NH1 ARG C 83 22.320 11.975 2.162 1.00 0.00 N ATOM 1265 NH2 ARG C 83 22.649 13.951 1.115 1.00 0.00 N1+ ATOM 0 H ARG C 83 27.387 10.809 5.077 1.00 0.00 H new ATOM 0 HA ARG C 83 26.972 10.443 2.308 1.00 0.00 H new ATOM 0 HB2 ARG C 83 26.736 12.857 4.167 1.00 0.00 H new ATOM 0 HB3 ARG C 83 26.199 12.881 2.498 1.00 0.00 H new ATOM 0 HG2 ARG C 83 24.660 10.973 2.939 1.00 0.00 H new ATOM 0 HG3 ARG C 83 25.233 10.867 4.591 1.00 0.00 H new ATOM 0 HD2 ARG C 83 23.125 12.147 4.536 1.00 0.00 H new ATOM 0 HD3 ARG C 83 24.436 13.203 5.023 1.00 0.00 H new ATOM 0 HE ARG C 83 24.200 14.420 3.013 1.00 0.00 H new ATOM 0 HH11 ARG C 83 22.516 11.342 2.938 1.00 0.00 H new ATOM 0 HH12 ARG C 83 21.670 11.695 1.428 1.00 0.00 H new ATOM 0 HH21 ARG C 83 23.103 14.864 1.073 1.00 0.00 H new ATOM 0 HH22 ARG C 83 21.999 13.670 0.381 1.00 0.00 H new ATOM 1279 N CYS C 84 29.427 12.487 3.166 1.00 0.00 N ATOM 1280 CA CYS C 84 30.618 13.159 2.654 1.00 0.00 C ATOM 1281 C CYS C 84 31.618 12.149 2.103 1.00 0.00 C ATOM 1282 O CYS C 84 32.275 12.398 1.093 1.00 0.00 O ATOM 1283 CB CYS C 84 31.274 13.986 3.763 1.00 0.00 C ATOM 1284 SG CYS C 84 30.226 15.409 4.151 1.00 0.00 S ATOM 0 H CYS C 84 29.289 12.574 4.173 1.00 0.00 H new ATOM 0 HA CYS C 84 30.313 13.821 1.844 1.00 0.00 H new ATOM 0 HB2 CYS C 84 31.418 13.373 4.653 1.00 0.00 H new ATOM 0 HB3 CYS C 84 32.261 14.323 3.445 1.00 0.00 H new ATOM 0 HG CYS C 84 30.023 15.461 5.434 1.00 0.00 H new ATOM 1290 N MET C 85 31.743 11.018 2.789 1.00 0.00 N ATOM 1291 CA MET C 85 32.684 9.985 2.377 1.00 0.00 C ATOM 1292 C MET C 85 32.367 9.511 0.962 1.00 0.00 C ATOM 1293 O MET C 85 33.273 9.269 0.166 1.00 0.00 O ATOM 1294 CB MET C 85 32.610 8.799 3.340 1.00 0.00 C ATOM 1295 CG MET C 85 33.814 7.881 3.117 1.00 0.00 C ATOM 1296 SD MET C 85 35.309 8.704 3.724 1.00 0.00 S ATOM 1297 CE MET C 85 36.460 7.345 3.408 1.00 0.00 C ATOM 0 H MET C 85 31.208 10.795 3.628 1.00 0.00 H new ATOM 0 HA MET C 85 33.690 10.405 2.394 1.00 0.00 H new ATOM 0 HB2 MET C 85 32.597 9.154 4.370 1.00 0.00 H new ATOM 0 HB3 MET C 85 31.684 8.246 3.182 1.00 0.00 H new ATOM 0 HG2 MET C 85 33.667 6.935 3.639 1.00 0.00 H new ATOM 0 HG3 MET C 85 33.917 7.648 2.057 1.00 0.00 H new ATOM 0 HE1 MET C 85 37.464 7.640 3.714 1.00 0.00 H new ATOM 0 HE2 MET C 85 36.151 6.467 3.975 1.00 0.00 H new ATOM 0 HE3 MET C 85 36.460 7.108 2.344 1.00 0.00 H new ATOM 1307 N LYS C 86 31.077 9.382 0.658 1.00 0.00 N ATOM 1308 CA LYS C 86 30.658 8.940 -0.667 1.00 0.00 C ATOM 1309 C LYS C 86 30.115 10.105 -1.490 1.00 0.00 C ATOM 1310 O LYS C 86 30.668 10.448 -2.537 1.00 0.00 O ATOM 1311 CB LYS C 86 29.578 7.863 -0.536 1.00 0.00 C ATOM 1312 CG LYS C 86 30.213 6.551 -0.073 1.00 0.00 C ATOM 1313 CD LYS C 86 29.136 5.471 0.033 1.00 0.00 C ATOM 1314 CE LYS C 86 29.780 4.147 0.445 1.00 0.00 C ATOM 1315 NZ LYS C 86 30.768 3.735 -0.594 1.00 0.00 N1+ ATOM 0 H LYS C 86 30.312 9.575 1.305 1.00 0.00 H new ATOM 0 HA LYS C 86 31.529 8.532 -1.179 1.00 0.00 H new ATOM 0 HB2 LYS C 86 28.817 8.182 0.177 1.00 0.00 H new ATOM 0 HB3 LYS C 86 29.077 7.718 -1.493 1.00 0.00 H new ATOM 0 HG2 LYS C 86 30.986 6.241 -0.776 1.00 0.00 H new ATOM 0 HG3 LYS C 86 30.699 6.691 0.893 1.00 0.00 H new ATOM 0 HD2 LYS C 86 28.383 5.764 0.764 1.00 0.00 H new ATOM 0 HD3 LYS C 86 28.625 5.357 -0.923 1.00 0.00 H new ATOM 0 HE2 LYS C 86 30.274 4.255 1.411 1.00 0.00 H new ATOM 0 HE3 LYS C 86 29.016 3.378 0.562 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 30.904 2.705 -0.555 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 30.414 4.002 -1.535 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 31.676 4.211 -0.418 1.00 0.00 H new ATOM 1508 N ALA I 152 40.035 17.180 4.769 1.00 0.00 N ATOM 1509 CA ALA I 152 40.619 18.400 5.314 1.00 0.00 C ATOM 1510 C ALA I 152 40.365 18.490 6.815 1.00 0.00 C ATOM 1511 O ALA I 152 41.241 18.901 7.577 1.00 0.00 O ATOM 1512 CB ALA I 152 40.019 19.623 4.620 1.00 0.00 C ATOM 0 HA ALA I 152 41.694 18.375 5.138 1.00 0.00 H new ATOM 0 HB1 ALA I 152 40.461 20.529 5.034 1.00 0.00 H new ATOM 0 HB2 ALA I 152 40.227 19.573 3.551 1.00 0.00 H new ATOM 0 HB3 ALA I 152 38.941 19.640 4.780 1.00 0.00 H new ATOM 1518 N MET I 153 39.160 18.110 7.233 1.00 0.00 N ATOM 1519 CA MET I 153 38.806 18.162 8.647 1.00 0.00 C ATOM 1520 C MET I 153 39.731 17.270 9.466 1.00 0.00 C ATOM 1521 O MET I 153 40.234 17.680 10.512 1.00 0.00 O ATOM 1522 CB MET I 153 37.358 17.705 8.837 1.00 0.00 C ATOM 1523 CG MET I 153 36.407 18.767 8.284 1.00 0.00 C ATOM 1524 SD MET I 153 34.697 18.221 8.510 1.00 0.00 S ATOM 1525 CE MET I 153 33.894 19.704 7.854 1.00 0.00 C ATOM 0 H MET I 153 38.421 17.767 6.620 1.00 0.00 H new ATOM 0 HA MET I 153 38.914 19.191 8.991 1.00 0.00 H new ATOM 0 HB2 MET I 153 37.196 16.756 8.326 1.00 0.00 H new ATOM 0 HB3 MET I 153 37.155 17.536 9.895 1.00 0.00 H new ATOM 0 HG2 MET I 153 36.568 19.716 8.795 1.00 0.00 H new ATOM 0 HG3 MET I 153 36.609 18.936 7.226 1.00 0.00 H new ATOM 0 HE1 MET I 153 32.812 19.582 7.899 1.00 0.00 H new ATOM 0 HE2 MET I 153 34.187 20.569 8.449 1.00 0.00 H new ATOM 0 HE3 MET I 153 34.199 19.855 6.819 1.00 0.00 H new ATOM 1535 N MET I 154 39.965 16.058 8.977 1.00 0.00 N ATOM 1536 CA MET I 154 40.849 15.127 9.670 1.00 0.00 C ATOM 1537 C MET I 154 42.281 15.642 9.670 1.00 0.00 C ATOM 1538 O MET I 154 42.987 15.534 10.671 1.00 0.00 O ATOM 1539 CB MET I 154 40.795 13.753 9.000 1.00 0.00 C ATOM 1540 CG MET I 154 39.443 13.096 9.284 1.00 0.00 C ATOM 1541 SD MET I 154 39.466 11.379 8.714 1.00 0.00 S ATOM 1542 CE MET I 154 39.329 11.713 6.943 1.00 0.00 C ATOM 0 H MET I 154 39.560 15.699 8.112 1.00 0.00 H new ATOM 0 HA MET I 154 40.510 15.038 10.702 1.00 0.00 H new ATOM 0 HB2 MET I 154 40.942 13.856 7.925 1.00 0.00 H new ATOM 0 HB3 MET I 154 41.602 13.123 9.374 1.00 0.00 H new ATOM 0 HG2 MET I 154 39.228 13.132 10.352 1.00 0.00 H new ATOM 0 HG3 MET I 154 38.648 13.646 8.780 1.00 0.00 H new ATOM 0 HE1 MET I 154 38.465 11.185 6.539 1.00 0.00 H new ATOM 0 HE2 MET I 154 39.207 12.784 6.783 1.00 0.00 H new ATOM 0 HE3 MET I 154 40.232 11.372 6.437 1.00 0.00 H new ATOM 1552 N GLN I 155 42.704 16.202 8.544 1.00 0.00 N ATOM 1553 CA GLN I 155 44.056 16.735 8.430 1.00 0.00 C ATOM 1554 C GLN I 155 44.267 17.893 9.396 1.00 0.00 C ATOM 1555 O GLN I 155 45.307 17.989 10.046 1.00 0.00 O ATOM 1556 CB GLN I 155 44.311 17.208 6.996 1.00 0.00 C ATOM 1557 CG GLN I 155 45.698 17.851 6.904 1.00 0.00 C ATOM 1558 CD GLN I 155 46.059 18.106 5.446 1.00 0.00 C ATOM 1559 OE1 GLN I 155 47.017 17.529 4.934 1.00 0.00 O ATOM 1560 NE2 GLN I 155 45.342 18.939 4.742 1.00 0.00 N ATOM 0 H GLN I 155 42.136 16.299 7.702 1.00 0.00 H new ATOM 0 HA GLN I 155 44.758 15.941 8.683 1.00 0.00 H new ATOM 0 HB2 GLN I 155 44.244 16.366 6.307 1.00 0.00 H new ATOM 0 HB3 GLN I 155 43.546 17.925 6.698 1.00 0.00 H new ATOM 0 HG2 GLN I 155 45.711 18.789 7.460 1.00 0.00 H new ATOM 0 HG3 GLN I 155 46.441 17.199 7.362 1.00 0.00 H new ATOM 0 HE21 GLN I 155 44.548 19.416 5.169 1.00 0.00 H new ATOM 0 HE22 GLN I 155 45.576 19.113 3.764 1.00 0.00 H new ATOM 1569 N ALA I 156 43.278 18.778 9.473 1.00 0.00 N ATOM 1570 CA ALA I 156 43.377 19.937 10.351 1.00 0.00 C ATOM 1571 C ALA I 156 43.537 19.499 11.801 1.00 0.00 C ATOM 1572 O ALA I 156 44.359 20.047 12.536 1.00 0.00 O ATOM 1573 CB ALA I 156 42.121 20.798 10.216 1.00 0.00 C ATOM 0 H ALA I 156 42.408 18.716 8.944 1.00 0.00 H new ATOM 0 HA ALA I 156 44.253 20.517 10.059 1.00 0.00 H new ATOM 0 HB1 ALA I 156 42.200 21.663 10.875 1.00 0.00 H new ATOM 0 HB2 ALA I 156 42.020 21.135 9.184 1.00 0.00 H new ATOM 0 HB3 ALA I 156 41.246 20.210 10.493 1.00 0.00 H new