USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=15 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 81 MET CE :methyl -144:sc= 0 (180deg=0) USER MOD Set 1.2: I 154 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: C 69 SER OG : rot -63:sc= 1.77 USER MOD Set 2.2: C 71 THR OG1 : rot -21:sc= 0.0622 USER MOD Set 3.1: C 37 SER OG : rot 180:sc= 0.0497! USER MOD Set 3.2: C 38 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: C 13 THR OG1 : rot 180:sc= -0.434 USER MOD Set 4.2: C 16 GLN : amide:sc= 0.944 K(o=0.51,f=-7.5!) USER MOD Single : C 11 GLN : amide:sc= -0.814 X(o=-0.81,f=-0.85) USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc= -0.272 K(o=-0.27,f=-1.9!) USER MOD Single : C 21 LYS NZ :NH3+ -157:sc= -0.0421 (180deg=-0.468) USER MOD Single : C 35 CYS SG : rot 180:sc= 0 USER MOD Single : C 39 LYS NZ :NH3+ 178:sc= -4.04! (180deg=-4.29!) USER MOD Single : C 43 LYS NZ :NH3+ -167:sc= 0.123 (180deg=0.0838) USER MOD Single : C 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 51 ASN : amide:sc= -0.68 X(o=-0.68,f=-0.57) USER MOD Single : C 53 THR OG1 : rot 180:sc= -0.779 USER MOD Single : C 58 GLN :FLIP amide:sc= -0.307 F(o=-1.9,f=-0.31) USER MOD Single : C 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 80 MET CE :methyl -120:sc=-0.000298 (180deg=-0.25) USER MOD Single : C 84 CYS SG : rot 180:sc= 0 USER MOD Single : C 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : I 153 MET CE :methyl -107:sc= 0 (180deg=-0.0428) USER MOD Single : I 155 GLN : amide:sc=-0.00301 K(o=-0.003,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 106 N ALA C 7 23.530 0.811 5.762 1.00 0.00 N ATOM 107 CA ALA C 7 24.451 -0.157 5.186 1.00 0.00 C ATOM 108 C ALA C 7 25.889 0.295 5.385 1.00 0.00 C ATOM 109 O ALA C 7 26.773 -0.516 5.654 1.00 0.00 O ATOM 110 CB ALA C 7 24.168 -0.333 3.695 1.00 0.00 C ATOM 0 HA ALA C 7 24.307 -1.112 5.692 1.00 0.00 H new ATOM 0 HB1 ALA C 7 24.864 -1.060 3.276 1.00 0.00 H new ATOM 0 HB2 ALA C 7 23.147 -0.688 3.558 1.00 0.00 H new ATOM 0 HB3 ALA C 7 24.291 0.623 3.186 1.00 0.00 H new ATOM 116 N ALA C 8 26.121 1.595 5.242 1.00 0.00 N ATOM 117 CA ALA C 8 27.467 2.123 5.401 1.00 0.00 C ATOM 118 C ALA C 8 27.957 1.914 6.823 1.00 0.00 C ATOM 119 O ALA C 8 29.105 1.538 7.048 1.00 0.00 O ATOM 120 CB ALA C 8 27.490 3.610 5.054 1.00 0.00 C ATOM 0 H ALA C 8 25.408 2.290 5.020 1.00 0.00 H new ATOM 0 HA ALA C 8 28.132 1.588 4.723 1.00 0.00 H new ATOM 0 HB1 ALA C 8 28.502 3.996 5.176 1.00 0.00 H new ATOM 0 HB2 ALA C 8 27.171 3.747 4.021 1.00 0.00 H new ATOM 0 HB3 ALA C 8 26.813 4.149 5.717 1.00 0.00 H new ATOM 126 N VAL C 9 27.076 2.157 7.778 1.00 0.00 N ATOM 127 CA VAL C 9 27.424 1.994 9.177 1.00 0.00 C ATOM 128 C VAL C 9 27.787 0.540 9.476 1.00 0.00 C ATOM 129 O VAL C 9 28.806 0.263 10.110 1.00 0.00 O ATOM 130 CB VAL C 9 26.240 2.419 10.038 1.00 0.00 C ATOM 131 CG1 VAL C 9 26.507 2.040 11.495 1.00 0.00 C ATOM 132 CG2 VAL C 9 26.046 3.934 9.932 1.00 0.00 C ATOM 0 H VAL C 9 26.119 2.467 7.610 1.00 0.00 H new ATOM 0 HA VAL C 9 28.290 2.617 9.403 1.00 0.00 H new ATOM 0 HB VAL C 9 25.339 1.913 9.690 1.00 0.00 H new ATOM 0 HG11 VAL C 9 25.661 2.344 12.111 1.00 0.00 H new ATOM 0 HG12 VAL C 9 26.643 0.961 11.571 1.00 0.00 H new ATOM 0 HG13 VAL C 9 27.408 2.545 11.843 1.00 0.00 H new ATOM 0 HG21 VAL C 9 25.199 4.236 10.548 1.00 0.00 H new ATOM 0 HG22 VAL C 9 26.946 4.441 10.279 1.00 0.00 H new ATOM 0 HG23 VAL C 9 25.854 4.204 8.894 1.00 0.00 H new ATOM 142 N GLU C 10 26.953 -0.385 9.008 1.00 0.00 N ATOM 143 CA GLU C 10 27.200 -1.805 9.222 1.00 0.00 C ATOM 144 C GLU C 10 28.438 -2.259 8.457 1.00 0.00 C ATOM 145 O GLU C 10 29.238 -3.048 8.960 1.00 0.00 O ATOM 146 CB GLU C 10 25.985 -2.620 8.773 1.00 0.00 C ATOM 147 CG GLU C 10 26.212 -4.099 9.093 1.00 0.00 C ATOM 148 CD GLU C 10 24.995 -4.918 8.681 1.00 0.00 C ATOM 149 OE1 GLU C 10 23.909 -4.596 9.131 1.00 0.00 O ATOM 150 OE2 GLU C 10 25.168 -5.854 7.918 1.00 0.00 O1- ATOM 0 H GLU C 10 26.105 -0.177 8.481 1.00 0.00 H new ATOM 0 HA GLU C 10 27.371 -1.968 10.286 1.00 0.00 H new ATOM 0 HB2 GLU C 10 25.088 -2.262 9.278 1.00 0.00 H new ATOM 0 HB3 GLU C 10 25.822 -2.490 7.703 1.00 0.00 H new ATOM 0 HG2 GLU C 10 27.097 -4.460 8.569 1.00 0.00 H new ATOM 0 HG3 GLU C 10 26.399 -4.223 10.160 1.00 0.00 H new ATOM 157 N GLN C 11 28.581 -1.761 7.234 1.00 0.00 N ATOM 158 CA GLN C 11 29.718 -2.129 6.401 1.00 0.00 C ATOM 159 C GLN C 11 31.029 -1.689 7.043 1.00 0.00 C ATOM 160 O GLN C 11 32.028 -2.405 6.983 1.00 0.00 O ATOM 161 CB GLN C 11 29.582 -1.488 5.016 1.00 0.00 C ATOM 162 CG GLN C 11 30.776 -1.889 4.144 1.00 0.00 C ATOM 163 CD GLN C 11 31.833 -0.791 4.172 1.00 0.00 C ATOM 164 OE1 GLN C 11 32.956 -1.019 4.621 1.00 0.00 O ATOM 165 NE2 GLN C 11 31.540 0.395 3.714 1.00 0.00 N ATOM 0 H GLN C 11 27.929 -1.107 6.801 1.00 0.00 H new ATOM 0 HA GLN C 11 29.729 -3.214 6.300 1.00 0.00 H new ATOM 0 HB2 GLN C 11 28.652 -1.808 4.546 1.00 0.00 H new ATOM 0 HB3 GLN C 11 29.535 -0.403 5.109 1.00 0.00 H new ATOM 0 HG2 GLN C 11 31.202 -2.825 4.505 1.00 0.00 H new ATOM 0 HG3 GLN C 11 30.447 -2.063 3.119 1.00 0.00 H new ATOM 0 HE21 GLN C 11 30.609 0.582 3.342 1.00 0.00 H new ATOM 0 HE22 GLN C 11 32.242 1.135 3.728 1.00 0.00 H new ATOM 174 N LEU C 12 31.022 -0.510 7.654 1.00 0.00 N ATOM 175 CA LEU C 12 32.220 0.005 8.297 1.00 0.00 C ATOM 176 C LEU C 12 32.832 -1.037 9.226 1.00 0.00 C ATOM 177 O LEU C 12 32.124 -1.715 9.969 1.00 0.00 O ATOM 178 CB LEU C 12 31.881 1.264 9.096 1.00 0.00 C ATOM 179 CG LEU C 12 32.613 2.470 8.501 1.00 0.00 C ATOM 180 CD1 LEU C 12 32.086 2.755 7.093 1.00 0.00 C ATOM 181 CD2 LEU C 12 32.372 3.691 9.392 1.00 0.00 C ATOM 0 H LEU C 12 30.207 0.101 7.717 1.00 0.00 H new ATOM 0 HA LEU C 12 32.945 0.247 7.520 1.00 0.00 H new ATOM 0 HB2 LEU C 12 30.805 1.437 9.081 1.00 0.00 H new ATOM 0 HB3 LEU C 12 32.168 1.132 10.139 1.00 0.00 H new ATOM 0 HG LEU C 12 33.680 2.256 8.446 1.00 0.00 H new ATOM 0 HD11 LEU C 12 32.611 3.614 6.675 1.00 0.00 H new ATOM 0 HD12 LEU C 12 32.253 1.884 6.459 1.00 0.00 H new ATOM 0 HD13 LEU C 12 31.018 2.970 7.141 1.00 0.00 H new ATOM 0 HD21 LEU C 12 32.890 4.554 8.974 1.00 0.00 H new ATOM 0 HD22 LEU C 12 31.303 3.899 9.443 1.00 0.00 H new ATOM 0 HD23 LEU C 12 32.750 3.490 10.394 1.00 0.00 H new ATOM 193 N THR C 13 34.155 -1.154 9.176 1.00 0.00 N ATOM 194 CA THR C 13 34.864 -2.111 10.013 1.00 0.00 C ATOM 195 C THR C 13 34.969 -1.597 11.437 1.00 0.00 C ATOM 196 O THR C 13 34.719 -0.423 11.706 1.00 0.00 O ATOM 197 CB THR C 13 36.263 -2.375 9.457 1.00 0.00 C ATOM 198 OG1 THR C 13 37.028 -1.181 9.502 1.00 0.00 O ATOM 199 CG2 THR C 13 36.150 -2.858 8.016 1.00 0.00 C ATOM 0 H THR C 13 34.755 -0.599 8.566 1.00 0.00 H new ATOM 0 HA THR C 13 34.300 -3.044 10.013 1.00 0.00 H new ATOM 0 HB THR C 13 36.756 -3.138 10.059 1.00 0.00 H new ATOM 0 HG1 THR C 13 37.925 -1.353 9.146 1.00 0.00 H new ATOM 0 HG21 THR C 13 37.146 -3.047 7.616 1.00 0.00 H new ATOM 0 HG22 THR C 13 35.566 -3.778 7.985 1.00 0.00 H new ATOM 0 HG23 THR C 13 35.657 -2.095 7.414 1.00 0.00 H new ATOM 207 N GLU C 14 35.326 -2.489 12.348 1.00 0.00 N ATOM 208 CA GLU C 14 35.448 -2.118 13.744 1.00 0.00 C ATOM 209 C GLU C 14 36.511 -1.042 13.904 1.00 0.00 C ATOM 210 O GLU C 14 36.370 -0.124 14.711 1.00 0.00 O ATOM 211 CB GLU C 14 35.816 -3.346 14.581 1.00 0.00 C ATOM 212 CG GLU C 14 35.172 -3.241 15.965 1.00 0.00 C ATOM 213 CD GLU C 14 35.705 -2.024 16.712 1.00 0.00 C ATOM 214 OE1 GLU C 14 36.886 -1.745 16.586 1.00 0.00 O ATOM 215 OE2 GLU C 14 34.924 -1.389 17.400 1.00 0.00 O1- ATOM 0 H GLU C 14 35.534 -3.467 12.146 1.00 0.00 H new ATOM 0 HA GLU C 14 34.492 -1.726 14.092 1.00 0.00 H new ATOM 0 HB2 GLU C 14 35.478 -4.253 14.080 1.00 0.00 H new ATOM 0 HB3 GLU C 14 36.899 -3.420 14.678 1.00 0.00 H new ATOM 0 HG2 GLU C 14 34.089 -3.167 15.864 1.00 0.00 H new ATOM 0 HG3 GLU C 14 35.378 -4.145 16.538 1.00 0.00 H new ATOM 222 N GLU C 15 37.571 -1.162 13.121 1.00 0.00 N ATOM 223 CA GLU C 15 38.659 -0.189 13.174 1.00 0.00 C ATOM 224 C GLU C 15 38.183 1.180 12.709 1.00 0.00 C ATOM 225 O GLU C 15 38.536 2.201 13.298 1.00 0.00 O ATOM 226 CB GLU C 15 39.833 -0.647 12.304 1.00 0.00 C ATOM 227 CG GLU C 15 40.508 -1.863 12.944 1.00 0.00 C ATOM 228 CD GLU C 15 41.673 -2.330 12.077 1.00 0.00 C ATOM 229 OE1 GLU C 15 41.588 -2.173 10.870 1.00 0.00 O ATOM 230 OE2 GLU C 15 42.636 -2.830 12.634 1.00 0.00 O1- ATOM 0 H GLU C 15 37.704 -1.915 12.446 1.00 0.00 H new ATOM 0 HA GLU C 15 38.990 -0.114 14.210 1.00 0.00 H new ATOM 0 HB2 GLU C 15 39.480 -0.900 11.304 1.00 0.00 H new ATOM 0 HB3 GLU C 15 40.553 0.164 12.192 1.00 0.00 H new ATOM 0 HG2 GLU C 15 40.866 -1.607 13.941 1.00 0.00 H new ATOM 0 HG3 GLU C 15 39.785 -2.670 13.062 1.00 0.00 H new ATOM 237 N GLN C 16 37.375 1.200 11.654 1.00 0.00 N ATOM 238 CA GLN C 16 36.862 2.460 11.139 1.00 0.00 C ATOM 239 C GLN C 16 35.980 3.130 12.183 1.00 0.00 C ATOM 240 O GLN C 16 36.039 4.344 12.377 1.00 0.00 O ATOM 241 CB GLN C 16 36.067 2.219 9.858 1.00 0.00 C ATOM 242 CG GLN C 16 37.026 1.851 8.726 1.00 0.00 C ATOM 243 CD GLN C 16 36.240 1.481 7.473 1.00 0.00 C ATOM 244 OE1 GLN C 16 35.383 0.598 7.516 1.00 0.00 O ATOM 245 NE2 GLN C 16 36.477 2.111 6.356 1.00 0.00 N ATOM 0 H GLN C 16 37.066 0.371 11.147 1.00 0.00 H new ATOM 0 HA GLN C 16 37.702 3.116 10.913 1.00 0.00 H new ATOM 0 HB2 GLN C 16 35.344 1.418 10.011 1.00 0.00 H new ATOM 0 HB3 GLN C 16 35.502 3.113 9.594 1.00 0.00 H new ATOM 0 HG2 GLN C 16 37.690 2.689 8.514 1.00 0.00 H new ATOM 0 HG3 GLN C 16 37.656 1.015 9.030 1.00 0.00 H new ATOM 0 HE21 GLN C 16 37.188 2.842 6.324 1.00 0.00 H new ATOM 0 HE22 GLN C 16 35.952 1.873 5.515 1.00 0.00 H new ATOM 254 N LYS C 17 35.169 2.326 12.858 1.00 0.00 N ATOM 255 CA LYS C 17 34.283 2.847 13.888 1.00 0.00 C ATOM 256 C LYS C 17 35.092 3.377 15.054 1.00 0.00 C ATOM 257 O LYS C 17 34.754 4.398 15.649 1.00 0.00 O ATOM 258 CB LYS C 17 33.318 1.758 14.369 1.00 0.00 C ATOM 259 CG LYS C 17 32.362 1.365 13.228 1.00 0.00 C ATOM 260 CD LYS C 17 30.948 1.148 13.776 1.00 0.00 C ATOM 261 CE LYS C 17 30.239 2.500 13.889 1.00 0.00 C ATOM 262 NZ LYS C 17 29.102 2.391 14.846 1.00 0.00 N1+ ATOM 0 H LYS C 17 35.107 1.318 12.712 1.00 0.00 H new ATOM 0 HA LYS C 17 33.700 3.663 13.461 1.00 0.00 H new ATOM 0 HB2 LYS C 17 33.878 0.885 14.703 1.00 0.00 H new ATOM 0 HB3 LYS C 17 32.748 2.117 15.226 1.00 0.00 H new ATOM 0 HG2 LYS C 17 32.350 2.146 12.468 1.00 0.00 H new ATOM 0 HG3 LYS C 17 32.716 0.455 12.744 1.00 0.00 H new ATOM 0 HD2 LYS C 17 30.388 0.484 13.118 1.00 0.00 H new ATOM 0 HD3 LYS C 17 30.993 0.665 14.752 1.00 0.00 H new ATOM 0 HE2 LYS C 17 30.940 3.262 14.228 1.00 0.00 H new ATOM 0 HE3 LYS C 17 29.875 2.814 12.911 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 28.622 3.311 14.921 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 28.428 1.676 14.505 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 29.461 2.111 15.781 1.00 0.00 H new ATOM 276 N ASN C 18 36.164 2.686 15.391 1.00 0.00 N ATOM 277 CA ASN C 18 36.985 3.124 16.493 1.00 0.00 C ATOM 278 C ASN C 18 37.557 4.509 16.211 1.00 0.00 C ATOM 279 O ASN C 18 37.574 5.376 17.083 1.00 0.00 O ATOM 280 CB ASN C 18 38.112 2.123 16.724 1.00 0.00 C ATOM 281 CG ASN C 18 38.959 2.542 17.916 1.00 0.00 C ATOM 282 OD1 ASN C 18 38.579 3.434 18.675 1.00 0.00 O ATOM 283 ND2 ASN C 18 40.093 1.939 18.122 1.00 0.00 N ATOM 0 H ASN C 18 36.479 1.835 14.925 1.00 0.00 H new ATOM 0 HA ASN C 18 36.371 3.182 17.392 1.00 0.00 H new ATOM 0 HB2 ASN C 18 37.695 1.131 16.897 1.00 0.00 H new ATOM 0 HB3 ASN C 18 38.736 2.056 15.833 1.00 0.00 H new ATOM 0 HD21 ASN C 18 40.675 2.204 18.917 1.00 0.00 H new ATOM 0 HD22 ASN C 18 40.401 1.201 17.489 1.00 0.00 H new ATOM 290 N GLU C 19 38.020 4.712 14.981 1.00 0.00 N ATOM 291 CA GLU C 19 38.587 6.001 14.595 1.00 0.00 C ATOM 292 C GLU C 19 37.528 7.099 14.674 1.00 0.00 C ATOM 293 O GLU C 19 37.807 8.213 15.119 1.00 0.00 O ATOM 294 CB GLU C 19 39.139 5.917 13.173 1.00 0.00 C ATOM 295 CG GLU C 19 40.368 5.006 13.162 1.00 0.00 C ATOM 296 CD GLU C 19 40.901 4.867 11.743 1.00 0.00 C ATOM 297 OE1 GLU C 19 40.276 5.405 10.842 1.00 0.00 O ATOM 298 OE2 GLU C 19 41.923 4.223 11.574 1.00 0.00 O1- ATOM 0 H GLU C 19 38.015 4.009 14.242 1.00 0.00 H new ATOM 0 HA GLU C 19 39.395 6.247 15.284 1.00 0.00 H new ATOM 0 HB2 GLU C 19 38.377 5.528 12.497 1.00 0.00 H new ATOM 0 HB3 GLU C 19 39.406 6.911 12.815 1.00 0.00 H new ATOM 0 HG2 GLU C 19 41.141 5.417 13.811 1.00 0.00 H new ATOM 0 HG3 GLU C 19 40.107 4.025 13.559 1.00 0.00 H new ATOM 305 N PHE C 20 36.310 6.773 14.250 1.00 0.00 N ATOM 306 CA PHE C 20 35.216 7.737 14.288 1.00 0.00 C ATOM 307 C PHE C 20 34.941 8.179 15.725 1.00 0.00 C ATOM 308 O PHE C 20 34.756 9.367 15.990 1.00 0.00 O ATOM 309 CB PHE C 20 33.959 7.122 13.662 1.00 0.00 C ATOM 310 CG PHE C 20 32.792 7.270 14.610 1.00 0.00 C ATOM 311 CD1 PHE C 20 32.252 8.536 14.889 1.00 0.00 C ATOM 312 CD2 PHE C 20 32.255 6.133 15.223 1.00 0.00 C ATOM 313 CE1 PHE C 20 31.180 8.656 15.784 1.00 0.00 C ATOM 314 CE2 PHE C 20 31.186 6.253 16.111 1.00 0.00 C ATOM 315 CZ PHE C 20 30.648 7.512 16.393 1.00 0.00 C ATOM 0 H PHE C 20 36.058 5.857 13.879 1.00 0.00 H new ATOM 0 HA PHE C 20 35.501 8.617 13.712 1.00 0.00 H new ATOM 0 HB2 PHE C 20 33.735 7.613 12.715 1.00 0.00 H new ATOM 0 HB3 PHE C 20 34.129 6.068 13.442 1.00 0.00 H new ATOM 0 HD1 PHE C 20 32.662 9.415 14.415 1.00 0.00 H new ATOM 0 HD2 PHE C 20 32.669 5.159 15.008 1.00 0.00 H new ATOM 0 HE1 PHE C 20 30.765 9.629 16.004 1.00 0.00 H new ATOM 0 HE2 PHE C 20 30.774 5.372 16.581 1.00 0.00 H new ATOM 0 HZ PHE C 20 29.821 7.603 17.081 1.00 0.00 H new ATOM 325 N LYS C 21 34.922 7.225 16.650 1.00 0.00 N ATOM 326 CA LYS C 21 34.673 7.547 18.052 1.00 0.00 C ATOM 327 C LYS C 21 35.727 8.520 18.579 1.00 0.00 C ATOM 328 O LYS C 21 35.403 9.454 19.313 1.00 0.00 O ATOM 329 CB LYS C 21 34.709 6.268 18.892 1.00 0.00 C ATOM 330 CG LYS C 21 33.456 5.434 18.618 1.00 0.00 C ATOM 331 CD LYS C 21 33.525 4.135 19.424 1.00 0.00 C ATOM 332 CE LYS C 21 32.205 3.377 19.286 1.00 0.00 C ATOM 333 NZ LYS C 21 31.134 4.124 20.005 1.00 0.00 N1+ ATOM 0 H LYS C 21 35.074 6.235 16.459 1.00 0.00 H new ATOM 0 HA LYS C 21 33.691 8.013 18.126 1.00 0.00 H new ATOM 0 HB2 LYS C 21 35.602 5.690 18.653 1.00 0.00 H new ATOM 0 HB3 LYS C 21 34.766 6.519 19.951 1.00 0.00 H new ATOM 0 HG2 LYS C 21 32.564 5.997 18.891 1.00 0.00 H new ATOM 0 HG3 LYS C 21 33.379 5.211 17.554 1.00 0.00 H new ATOM 0 HD2 LYS C 21 34.350 3.518 19.068 1.00 0.00 H new ATOM 0 HD3 LYS C 21 33.722 4.356 20.473 1.00 0.00 H new ATOM 0 HE2 LYS C 21 31.944 3.266 18.234 1.00 0.00 H new ATOM 0 HE3 LYS C 21 32.304 2.373 19.698 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 30.364 3.472 20.255 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 31.526 4.545 20.871 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 30.764 4.877 19.391 1.00 0.00 H new ATOM 347 N ALA C 22 36.981 8.305 18.199 1.00 0.00 N ATOM 348 CA ALA C 22 38.056 9.185 18.645 1.00 0.00 C ATOM 349 C ALA C 22 37.832 10.603 18.131 1.00 0.00 C ATOM 350 O ALA C 22 38.024 11.578 18.859 1.00 0.00 O ATOM 351 CB ALA C 22 39.401 8.666 18.139 1.00 0.00 C ATOM 0 H ALA C 22 37.277 7.541 17.592 1.00 0.00 H new ATOM 0 HA ALA C 22 38.060 9.199 19.735 1.00 0.00 H new ATOM 0 HB1 ALA C 22 40.197 9.329 18.477 1.00 0.00 H new ATOM 0 HB2 ALA C 22 39.574 7.663 18.529 1.00 0.00 H new ATOM 0 HB3 ALA C 22 39.392 8.635 17.049 1.00 0.00 H new ATOM 357 N ALA C 23 37.420 10.712 16.871 1.00 0.00 N ATOM 358 CA ALA C 23 37.166 12.017 16.269 1.00 0.00 C ATOM 359 C ALA C 23 36.035 12.733 16.992 1.00 0.00 C ATOM 360 O ALA C 23 36.101 13.937 17.231 1.00 0.00 O ATOM 361 CB ALA C 23 36.804 11.847 14.792 1.00 0.00 C ATOM 0 H ALA C 23 37.256 9.919 16.251 1.00 0.00 H new ATOM 0 HA ALA C 23 38.071 12.618 16.356 1.00 0.00 H new ATOM 0 HB1 ALA C 23 36.616 12.825 14.349 1.00 0.00 H new ATOM 0 HB2 ALA C 23 37.629 11.364 14.268 1.00 0.00 H new ATOM 0 HB3 ALA C 23 35.909 11.231 14.705 1.00 0.00 H new ATOM 367 N PHE C 24 34.994 11.988 17.336 1.00 0.00 N ATOM 368 CA PHE C 24 33.854 12.573 18.025 1.00 0.00 C ATOM 369 C PHE C 24 34.291 13.174 19.355 1.00 0.00 C ATOM 370 O PHE C 24 33.872 14.272 19.711 1.00 0.00 O ATOM 371 CB PHE C 24 32.782 11.514 18.270 1.00 0.00 C ATOM 372 CG PHE C 24 31.533 12.179 18.798 1.00 0.00 C ATOM 373 CD1 PHE C 24 30.579 12.668 17.901 1.00 0.00 C ATOM 374 CD2 PHE C 24 31.326 12.304 20.179 1.00 0.00 C ATOM 375 CE1 PHE C 24 29.415 13.279 18.377 1.00 0.00 C ATOM 376 CE2 PHE C 24 30.159 12.917 20.655 1.00 0.00 C ATOM 377 CZ PHE C 24 29.206 13.403 19.752 1.00 0.00 C ATOM 0 H PHE C 24 34.915 10.988 17.152 1.00 0.00 H new ATOM 0 HA PHE C 24 33.440 13.361 17.396 1.00 0.00 H new ATOM 0 HB2 PHE C 24 32.561 10.983 17.344 1.00 0.00 H new ATOM 0 HB3 PHE C 24 33.143 10.773 18.984 1.00 0.00 H new ATOM 0 HD1 PHE C 24 30.741 12.574 16.837 1.00 0.00 H new ATOM 0 HD2 PHE C 24 32.063 11.929 20.874 1.00 0.00 H new ATOM 0 HE1 PHE C 24 28.678 13.655 17.682 1.00 0.00 H new ATOM 0 HE2 PHE C 24 29.995 13.014 21.718 1.00 0.00 H new ATOM 0 HZ PHE C 24 28.307 13.875 20.120 1.00 0.00 H new ATOM 387 N ASP C 25 35.134 12.445 20.083 1.00 0.00 N ATOM 388 CA ASP C 25 35.618 12.916 21.379 1.00 0.00 C ATOM 389 C ASP C 25 36.351 14.249 21.221 1.00 0.00 C ATOM 390 O ASP C 25 36.193 15.160 22.032 1.00 0.00 O ATOM 391 CB ASP C 25 36.555 11.876 21.997 1.00 0.00 C ATOM 392 CG ASP C 25 36.912 12.278 23.423 1.00 0.00 C ATOM 393 OD1 ASP C 25 36.187 11.891 24.326 1.00 0.00 O1- ATOM 394 OD2 ASP C 25 37.906 12.964 23.594 1.00 0.00 O ATOM 0 H ASP C 25 35.494 11.533 19.801 1.00 0.00 H new ATOM 0 HA ASP C 25 34.763 13.063 22.038 1.00 0.00 H new ATOM 0 HB2 ASP C 25 36.076 10.897 21.996 1.00 0.00 H new ATOM 0 HB3 ASP C 25 37.461 11.789 21.397 1.00 0.00 H new ATOM 399 N ILE C 26 37.149 14.360 20.166 1.00 0.00 N ATOM 400 CA ILE C 26 37.884 15.583 19.903 1.00 0.00 C ATOM 401 C ILE C 26 36.933 16.708 19.504 1.00 0.00 C ATOM 402 O ILE C 26 37.085 17.848 19.934 1.00 0.00 O ATOM 403 CB ILE C 26 38.893 15.339 18.796 1.00 0.00 C ATOM 404 CG1 ILE C 26 39.956 14.360 19.292 1.00 0.00 C ATOM 405 CG2 ILE C 26 39.550 16.663 18.436 1.00 0.00 C ATOM 406 CD1 ILE C 26 40.799 13.893 18.110 1.00 0.00 C ATOM 0 H ILE C 26 37.301 13.618 19.483 1.00 0.00 H new ATOM 0 HA ILE C 26 38.406 15.882 20.812 1.00 0.00 H new ATOM 0 HB ILE C 26 38.397 14.921 17.920 1.00 0.00 H new ATOM 0 HG12 ILE C 26 40.589 14.840 20.038 1.00 0.00 H new ATOM 0 HG13 ILE C 26 39.483 13.506 19.777 1.00 0.00 H new ATOM 0 HG21 ILE C 26 40.278 16.503 17.641 1.00 0.00 H new ATOM 0 HG22 ILE C 26 38.790 17.366 18.096 1.00 0.00 H new ATOM 0 HG23 ILE C 26 40.054 17.070 19.313 1.00 0.00 H new ATOM 0 HD11 ILE C 26 41.559 13.194 18.459 1.00 0.00 H new ATOM 0 HD12 ILE C 26 40.159 13.398 17.380 1.00 0.00 H new ATOM 0 HD13 ILE C 26 41.282 14.753 17.646 1.00 0.00 H new ATOM 418 N PHE C 27 35.948 16.381 18.671 1.00 0.00 N ATOM 419 CA PHE C 27 34.979 17.378 18.221 1.00 0.00 C ATOM 420 C PHE C 27 34.286 18.040 19.408 1.00 0.00 C ATOM 421 O PHE C 27 34.048 19.246 19.401 1.00 0.00 O ATOM 422 CB PHE C 27 33.922 16.725 17.327 1.00 0.00 C ATOM 423 CG PHE C 27 34.194 17.066 15.881 1.00 0.00 C ATOM 424 CD1 PHE C 27 33.618 18.215 15.326 1.00 0.00 C ATOM 425 CD2 PHE C 27 35.010 16.243 15.097 1.00 0.00 C ATOM 426 CE1 PHE C 27 33.858 18.542 13.988 1.00 0.00 C ATOM 427 CE2 PHE C 27 35.250 16.570 13.757 1.00 0.00 C ATOM 428 CZ PHE C 27 34.673 17.720 13.203 1.00 0.00 C ATOM 0 H PHE C 27 35.800 15.444 18.297 1.00 0.00 H new ATOM 0 HA PHE C 27 35.521 18.137 17.657 1.00 0.00 H new ATOM 0 HB2 PHE C 27 33.934 15.644 17.464 1.00 0.00 H new ATOM 0 HB3 PHE C 27 32.928 17.071 17.611 1.00 0.00 H new ATOM 0 HD1 PHE C 27 32.988 18.849 15.932 1.00 0.00 H new ATOM 0 HD2 PHE C 27 35.454 15.357 15.525 1.00 0.00 H new ATOM 0 HE1 PHE C 27 33.414 19.429 13.561 1.00 0.00 H new ATOM 0 HE2 PHE C 27 35.880 15.936 13.151 1.00 0.00 H new ATOM 0 HZ PHE C 27 34.858 17.972 12.169 1.00 0.00 H new ATOM 438 N VAL C 28 33.960 17.249 20.422 1.00 0.00 N ATOM 439 CA VAL C 28 33.289 17.782 21.603 1.00 0.00 C ATOM 440 C VAL C 28 34.298 18.385 22.576 1.00 0.00 C ATOM 441 O VAL C 28 34.051 18.447 23.779 1.00 0.00 O ATOM 442 CB VAL C 28 32.485 16.680 22.298 1.00 0.00 C ATOM 443 CG1 VAL C 28 31.429 16.136 21.335 1.00 0.00 C ATOM 444 CG2 VAL C 28 33.415 15.546 22.714 1.00 0.00 C ATOM 0 H VAL C 28 34.146 16.247 20.452 1.00 0.00 H new ATOM 0 HA VAL C 28 32.608 18.570 21.281 1.00 0.00 H new ATOM 0 HB VAL C 28 32.000 17.094 23.182 1.00 0.00 H new ATOM 0 HG11 VAL C 28 30.856 15.351 21.829 1.00 0.00 H new ATOM 0 HG12 VAL C 28 30.759 16.942 21.037 1.00 0.00 H new ATOM 0 HG13 VAL C 28 31.919 15.726 20.452 1.00 0.00 H new ATOM 0 HG21 VAL C 28 32.838 14.765 23.208 1.00 0.00 H new ATOM 0 HG22 VAL C 28 33.903 15.133 21.831 1.00 0.00 H new ATOM 0 HG23 VAL C 28 34.170 15.928 23.401 1.00 0.00 H new ATOM 454 N LEU C 29 35.436 18.825 22.044 1.00 0.00 N ATOM 455 CA LEU C 29 36.481 19.426 22.867 1.00 0.00 C ATOM 456 C LEU C 29 35.891 20.423 23.860 1.00 0.00 C ATOM 457 O LEU C 29 36.423 20.603 24.957 1.00 0.00 O ATOM 458 CB LEU C 29 37.505 20.144 21.983 1.00 0.00 C ATOM 459 CG LEU C 29 36.800 21.161 21.089 1.00 0.00 C ATOM 460 CD1 LEU C 29 37.042 22.564 21.641 1.00 0.00 C ATOM 461 CD2 LEU C 29 37.369 21.063 19.674 1.00 0.00 C ATOM 0 H LEU C 29 35.657 18.777 21.049 1.00 0.00 H new ATOM 0 HA LEU C 29 36.971 18.624 23.420 1.00 0.00 H new ATOM 0 HB2 LEU C 29 38.246 20.646 22.605 1.00 0.00 H new ATOM 0 HB3 LEU C 29 38.041 19.419 21.371 1.00 0.00 H new ATOM 0 HG LEU C 29 35.729 20.958 21.066 1.00 0.00 H new ATOM 0 HD11 LEU C 29 36.541 23.296 21.007 1.00 0.00 H new ATOM 0 HD12 LEU C 29 36.646 22.630 22.654 1.00 0.00 H new ATOM 0 HD13 LEU C 29 38.112 22.769 21.656 1.00 0.00 H new ATOM 0 HD21 LEU C 29 36.870 21.787 19.030 1.00 0.00 H new ATOM 0 HD22 LEU C 29 38.438 21.274 19.696 1.00 0.00 H new ATOM 0 HD23 LEU C 29 37.206 20.058 19.285 1.00 0.00 H new ATOM 473 N GLY C 30 34.803 21.081 23.463 1.00 0.00 N ATOM 474 CA GLY C 30 34.158 22.069 24.320 1.00 0.00 C ATOM 475 C GLY C 30 32.722 21.672 24.663 1.00 0.00 C ATOM 476 O GLY C 30 31.899 22.532 24.975 1.00 0.00 O ATOM 0 H GLY C 30 34.353 20.947 22.557 1.00 0.00 H new ATOM 0 HA2 GLY C 30 34.733 22.184 25.239 1.00 0.00 H new ATOM 0 HA3 GLY C 30 34.158 23.038 23.821 1.00 0.00 H new ATOM 480 N ALA C 31 32.421 20.376 24.600 1.00 0.00 N ATOM 481 CA ALA C 31 31.074 19.904 24.912 1.00 0.00 C ATOM 482 C ALA C 31 31.131 18.662 25.792 1.00 0.00 C ATOM 483 O ALA C 31 31.236 17.542 25.303 1.00 0.00 O ATOM 484 CB ALA C 31 30.316 19.593 23.621 1.00 0.00 C ATOM 0 H ALA C 31 33.081 19.644 24.340 1.00 0.00 H new ATOM 0 HA ALA C 31 30.550 20.691 25.455 1.00 0.00 H new ATOM 0 HB1 ALA C 31 29.313 19.242 23.864 1.00 0.00 H new ATOM 0 HB2 ALA C 31 30.247 20.495 23.013 1.00 0.00 H new ATOM 0 HB3 ALA C 31 30.846 18.820 23.065 1.00 0.00 H new ATOM 490 N GLU C 32 31.049 18.868 27.098 1.00 0.00 N ATOM 491 CA GLU C 32 31.090 17.754 28.035 1.00 0.00 C ATOM 492 C GLU C 32 29.782 16.980 27.987 1.00 0.00 C ATOM 493 O GLU C 32 29.669 15.889 28.542 1.00 0.00 O ATOM 494 CB GLU C 32 31.345 18.262 29.453 1.00 0.00 C ATOM 495 CG GLU C 32 32.779 18.784 29.556 1.00 0.00 C ATOM 496 CD GLU C 32 32.985 19.479 30.897 1.00 0.00 C ATOM 497 OE1 GLU C 32 31.994 19.788 31.539 1.00 0.00 O ATOM 498 OE2 GLU C 32 34.129 19.688 31.264 1.00 0.00 O1- ATOM 0 H GLU C 32 30.955 19.787 27.531 1.00 0.00 H new ATOM 0 HA GLU C 32 31.905 17.089 27.749 1.00 0.00 H new ATOM 0 HB2 GLU C 32 30.639 19.055 29.699 1.00 0.00 H new ATOM 0 HB3 GLU C 32 31.186 17.459 30.173 1.00 0.00 H new ATOM 0 HG2 GLU C 32 33.484 17.959 29.453 1.00 0.00 H new ATOM 0 HG3 GLU C 32 32.981 19.480 28.742 1.00 0.00 H new ATOM 505 N ASP C 33 28.795 17.558 27.317 1.00 0.00 N ATOM 506 CA ASP C 33 27.493 16.921 27.197 1.00 0.00 C ATOM 507 C ASP C 33 27.496 15.915 26.051 1.00 0.00 C ATOM 508 O ASP C 33 26.568 15.118 25.912 1.00 0.00 O ATOM 509 CB ASP C 33 26.414 17.976 26.953 1.00 0.00 C ATOM 510 CG ASP C 33 26.403 18.983 28.098 1.00 0.00 C ATOM 511 OD1 ASP C 33 25.706 18.739 29.070 1.00 0.00 O1- ATOM 512 OD2 ASP C 33 27.092 19.984 27.987 1.00 0.00 O ATOM 0 H ASP C 33 28.871 18.462 26.851 1.00 0.00 H new ATOM 0 HA ASP C 33 27.278 16.395 28.127 1.00 0.00 H new ATOM 0 HB2 ASP C 33 26.601 18.488 26.009 1.00 0.00 H new ATOM 0 HB3 ASP C 33 25.438 17.498 26.869 1.00 0.00 H new ATOM 517 N GLY C 34 28.543 15.949 25.229 1.00 0.00 N ATOM 518 CA GLY C 34 28.637 15.025 24.107 1.00 0.00 C ATOM 519 C GLY C 34 27.825 15.525 22.921 1.00 0.00 C ATOM 520 O GLY C 34 27.430 14.745 22.058 1.00 0.00 O ATOM 0 H GLY C 34 29.326 16.597 25.318 1.00 0.00 H new ATOM 0 HA2 GLY C 34 29.680 14.907 23.814 1.00 0.00 H new ATOM 0 HA3 GLY C 34 28.278 14.041 24.410 1.00 0.00 H new ATOM 524 N CYS C 35 27.577 16.830 22.893 1.00 0.00 N ATOM 525 CA CYS C 35 26.811 17.434 21.804 1.00 0.00 C ATOM 526 C CYS C 35 27.611 18.547 21.129 1.00 0.00 C ATOM 527 O CYS C 35 28.325 19.303 21.790 1.00 0.00 O ATOM 528 CB CYS C 35 25.495 18.001 22.341 1.00 0.00 C ATOM 529 SG CYS C 35 24.502 16.664 23.051 1.00 0.00 S ATOM 0 H CYS C 35 27.892 17.488 23.606 1.00 0.00 H new ATOM 0 HA CYS C 35 26.599 16.660 21.066 1.00 0.00 H new ATOM 0 HB2 CYS C 35 25.696 18.759 23.098 1.00 0.00 H new ATOM 0 HB3 CYS C 35 24.944 18.490 21.538 1.00 0.00 H new ATOM 0 HG CYS C 35 23.386 17.148 23.508 1.00 0.00 H new ATOM 535 N ILE C 36 27.476 18.644 19.808 1.00 0.00 N ATOM 536 CA ILE C 36 28.178 19.672 19.037 1.00 0.00 C ATOM 537 C ILE C 36 27.199 20.743 18.575 1.00 0.00 C ATOM 538 O ILE C 36 26.198 20.448 17.923 1.00 0.00 O ATOM 539 CB ILE C 36 28.858 19.035 17.822 1.00 0.00 C ATOM 540 CG1 ILE C 36 29.876 17.990 18.291 1.00 0.00 C ATOM 541 CG2 ILE C 36 29.564 20.114 16.999 1.00 0.00 C ATOM 542 CD1 ILE C 36 29.573 16.642 17.632 1.00 0.00 C ATOM 0 H ILE C 36 26.889 18.025 19.249 1.00 0.00 H new ATOM 0 HA ILE C 36 28.934 20.134 19.672 1.00 0.00 H new ATOM 0 HB ILE C 36 28.105 18.549 17.202 1.00 0.00 H new ATOM 0 HG12 ILE C 36 30.886 18.312 18.036 1.00 0.00 H new ATOM 0 HG13 ILE C 36 29.837 17.892 19.376 1.00 0.00 H new ATOM 0 HG21 ILE C 36 30.046 19.656 16.136 1.00 0.00 H new ATOM 0 HG22 ILE C 36 28.834 20.849 16.659 1.00 0.00 H new ATOM 0 HG23 ILE C 36 30.316 20.608 17.615 1.00 0.00 H new ATOM 0 HD11 ILE C 36 30.299 15.901 17.968 1.00 0.00 H new ATOM 0 HD12 ILE C 36 28.570 16.319 17.910 1.00 0.00 H new ATOM 0 HD13 ILE C 36 29.634 16.745 16.549 1.00 0.00 H new ATOM 554 N SER C 37 27.502 21.988 18.928 1.00 0.00 N ATOM 555 CA SER C 37 26.653 23.113 18.562 1.00 0.00 C ATOM 556 C SER C 37 27.452 24.147 17.784 1.00 0.00 C ATOM 557 O SER C 37 28.558 23.873 17.321 1.00 0.00 O ATOM 558 CB SER C 37 26.077 23.757 19.823 1.00 0.00 C ATOM 559 OG SER C 37 25.227 24.835 19.455 1.00 0.00 O ATOM 0 H SER C 37 28.330 22.242 19.467 1.00 0.00 H new ATOM 0 HA SER C 37 25.840 22.748 17.934 1.00 0.00 H new ATOM 0 HB2 SER C 37 25.519 23.019 20.399 1.00 0.00 H new ATOM 0 HB3 SER C 37 26.883 24.117 20.462 1.00 0.00 H new ATOM 0 HG SER C 37 24.855 25.248 20.262 1.00 0.00 H new ATOM 565 N THR C 38 26.883 25.336 17.638 1.00 0.00 N ATOM 566 CA THR C 38 27.552 26.398 16.908 1.00 0.00 C ATOM 567 C THR C 38 28.807 26.846 17.640 1.00 0.00 C ATOM 568 O THR C 38 29.768 27.296 17.016 1.00 0.00 O ATOM 569 CB THR C 38 26.599 27.585 16.743 1.00 0.00 C ATOM 570 OG1 THR C 38 26.196 28.050 18.023 1.00 0.00 O ATOM 571 CG2 THR C 38 25.368 27.152 15.945 1.00 0.00 C ATOM 0 H THR C 38 25.968 25.586 18.013 1.00 0.00 H new ATOM 0 HA THR C 38 27.840 26.019 15.927 1.00 0.00 H new ATOM 0 HB THR C 38 27.110 28.386 16.209 1.00 0.00 H new ATOM 0 HG1 THR C 38 25.587 28.811 17.918 1.00 0.00 H new ATOM 0 HG21 THR C 38 24.692 28.000 15.830 1.00 0.00 H new ATOM 0 HG22 THR C 38 25.678 26.799 14.961 1.00 0.00 H new ATOM 0 HG23 THR C 38 24.855 26.349 16.474 1.00 0.00 H new ATOM 579 N LYS C 39 28.795 26.730 18.963 1.00 0.00 N ATOM 580 CA LYS C 39 29.945 27.140 19.754 1.00 0.00 C ATOM 581 C LYS C 39 31.176 26.318 19.387 1.00 0.00 C ATOM 582 O LYS C 39 32.244 26.869 19.095 1.00 0.00 O ATOM 583 CB LYS C 39 29.632 26.939 21.241 1.00 0.00 C ATOM 584 CG LYS C 39 28.549 27.938 21.678 1.00 0.00 C ATOM 585 CD LYS C 39 27.377 27.211 22.359 1.00 0.00 C ATOM 586 CE LYS C 39 27.774 26.762 23.769 1.00 0.00 C ATOM 587 NZ LYS C 39 29.252 26.621 23.857 1.00 0.00 N1+ ATOM 0 H LYS C 39 28.012 26.361 19.503 1.00 0.00 H new ATOM 0 HA LYS C 39 30.152 28.190 19.549 1.00 0.00 H new ATOM 0 HB2 LYS C 39 29.292 25.918 21.417 1.00 0.00 H new ATOM 0 HB3 LYS C 39 30.534 27.082 21.836 1.00 0.00 H new ATOM 0 HG2 LYS C 39 28.978 28.669 22.364 1.00 0.00 H new ATOM 0 HG3 LYS C 39 28.186 28.490 20.811 1.00 0.00 H new ATOM 0 HD2 LYS C 39 26.512 27.872 22.411 1.00 0.00 H new ATOM 0 HD3 LYS C 39 27.082 26.346 21.765 1.00 0.00 H new ATOM 0 HE2 LYS C 39 27.425 27.488 24.503 1.00 0.00 H new ATOM 0 HE3 LYS C 39 27.294 25.812 24.006 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 29.518 26.349 24.825 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 29.571 25.888 23.192 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 29.702 27.527 23.616 1.00 0.00 H new ATOM 601 N GLU C 40 31.025 24.994 19.382 1.00 0.00 N ATOM 602 CA GLU C 40 32.142 24.129 19.040 1.00 0.00 C ATOM 603 C GLU C 40 32.482 24.232 17.562 1.00 0.00 C ATOM 604 O GLU C 40 33.654 24.219 17.183 1.00 0.00 O ATOM 605 CB GLU C 40 31.825 22.680 19.402 1.00 0.00 C ATOM 606 CG GLU C 40 31.723 22.537 20.923 1.00 0.00 C ATOM 607 CD GLU C 40 31.767 21.064 21.311 1.00 0.00 C ATOM 608 OE1 GLU C 40 31.038 20.288 20.714 1.00 0.00 O ATOM 609 OE2 GLU C 40 32.541 20.732 22.193 1.00 0.00 O1- ATOM 0 H GLU C 40 30.156 24.509 19.607 1.00 0.00 H new ATOM 0 HA GLU C 40 33.007 24.458 19.615 1.00 0.00 H new ATOM 0 HB2 GLU C 40 30.888 22.375 18.935 1.00 0.00 H new ATOM 0 HB3 GLU C 40 32.603 22.021 19.017 1.00 0.00 H new ATOM 0 HG2 GLU C 40 32.542 23.073 21.403 1.00 0.00 H new ATOM 0 HG3 GLU C 40 30.796 22.988 21.278 1.00 0.00 H new ATOM 616 N LEU C 41 31.455 24.322 16.729 1.00 0.00 N ATOM 617 CA LEU C 41 31.662 24.411 15.296 1.00 0.00 C ATOM 618 C LEU C 41 32.366 25.718 14.958 1.00 0.00 C ATOM 619 O LEU C 41 33.251 25.760 14.103 1.00 0.00 O ATOM 620 CB LEU C 41 30.312 24.343 14.577 1.00 0.00 C ATOM 621 CG LEU C 41 30.473 23.598 13.250 1.00 0.00 C ATOM 622 CD1 LEU C 41 30.344 22.091 13.494 1.00 0.00 C ATOM 623 CD2 LEU C 41 29.383 24.046 12.274 1.00 0.00 C ATOM 0 H LEU C 41 30.478 24.335 17.021 1.00 0.00 H new ATOM 0 HA LEU C 41 32.284 23.578 14.968 1.00 0.00 H new ATOM 0 HB2 LEU C 41 29.580 23.835 15.204 1.00 0.00 H new ATOM 0 HB3 LEU C 41 29.934 25.349 14.397 1.00 0.00 H new ATOM 0 HG LEU C 41 31.453 23.820 12.828 1.00 0.00 H new ATOM 0 HD11 LEU C 41 30.458 21.558 12.550 1.00 0.00 H new ATOM 0 HD12 LEU C 41 31.119 21.767 14.189 1.00 0.00 H new ATOM 0 HD13 LEU C 41 29.363 21.874 13.917 1.00 0.00 H new ATOM 0 HD21 LEU C 41 29.499 23.514 11.330 1.00 0.00 H new ATOM 0 HD22 LEU C 41 28.403 23.825 12.697 1.00 0.00 H new ATOM 0 HD23 LEU C 41 29.469 25.118 12.100 1.00 0.00 H new ATOM 635 N GLY C 42 31.974 26.779 15.644 1.00 0.00 N ATOM 636 CA GLY C 42 32.573 28.082 15.422 1.00 0.00 C ATOM 637 C GLY C 42 34.065 28.063 15.743 1.00 0.00 C ATOM 638 O GLY C 42 34.862 28.690 15.049 1.00 0.00 O ATOM 0 H GLY C 42 31.245 26.763 16.357 1.00 0.00 H new ATOM 0 HA2 GLY C 42 32.425 28.382 14.385 1.00 0.00 H new ATOM 0 HA3 GLY C 42 32.074 28.826 16.043 1.00 0.00 H new ATOM 642 N LYS C 43 34.438 27.344 16.801 1.00 0.00 N ATOM 643 CA LYS C 43 35.838 27.269 17.204 1.00 0.00 C ATOM 644 C LYS C 43 36.665 26.564 16.138 1.00 0.00 C ATOM 645 O LYS C 43 37.771 26.990 15.807 1.00 0.00 O ATOM 646 CB LYS C 43 35.954 26.519 18.535 1.00 0.00 C ATOM 647 CG LYS C 43 36.132 27.512 19.694 1.00 0.00 C ATOM 648 CD LYS C 43 34.875 28.372 19.855 1.00 0.00 C ATOM 649 CE LYS C 43 34.147 27.976 21.142 1.00 0.00 C ATOM 650 NZ LYS C 43 32.914 28.800 21.285 1.00 0.00 N1+ ATOM 0 H LYS C 43 33.796 26.811 17.388 1.00 0.00 H new ATOM 0 HA LYS C 43 36.221 28.282 17.325 1.00 0.00 H new ATOM 0 HB2 LYS C 43 35.062 25.915 18.699 1.00 0.00 H new ATOM 0 HB3 LYS C 43 36.801 25.834 18.501 1.00 0.00 H new ATOM 0 HG2 LYS C 43 36.331 26.970 20.619 1.00 0.00 H new ATOM 0 HG3 LYS C 43 36.996 28.150 19.506 1.00 0.00 H new ATOM 0 HD2 LYS C 43 35.145 29.427 19.887 1.00 0.00 H new ATOM 0 HD3 LYS C 43 34.217 28.238 18.996 1.00 0.00 H new ATOM 0 HE2 LYS C 43 33.889 26.917 21.116 1.00 0.00 H new ATOM 0 HE3 LYS C 43 34.799 28.125 22.003 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 32.537 28.697 22.249 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 33.142 29.799 21.107 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 32.201 28.480 20.599 1.00 0.00 H new ATOM 664 N VAL C 44 36.115 25.490 15.601 1.00 0.00 N ATOM 665 CA VAL C 44 36.797 24.736 14.566 1.00 0.00 C ATOM 666 C VAL C 44 36.987 25.597 13.328 1.00 0.00 C ATOM 667 O VAL C 44 38.034 25.553 12.683 1.00 0.00 O ATOM 668 CB VAL C 44 35.968 23.516 14.205 1.00 0.00 C ATOM 669 CG1 VAL C 44 36.567 22.835 12.974 1.00 0.00 C ATOM 670 CG2 VAL C 44 35.970 22.535 15.377 1.00 0.00 C ATOM 0 H VAL C 44 35.201 25.121 15.864 1.00 0.00 H new ATOM 0 HA VAL C 44 37.774 24.426 14.937 1.00 0.00 H new ATOM 0 HB VAL C 44 34.946 23.825 13.988 1.00 0.00 H new ATOM 0 HG11 VAL C 44 35.971 21.960 12.716 1.00 0.00 H new ATOM 0 HG12 VAL C 44 36.568 23.533 12.137 1.00 0.00 H new ATOM 0 HG13 VAL C 44 37.590 22.527 13.190 1.00 0.00 H new ATOM 0 HG21 VAL C 44 35.375 21.659 15.119 1.00 0.00 H new ATOM 0 HG22 VAL C 44 36.993 22.228 15.593 1.00 0.00 H new ATOM 0 HG23 VAL C 44 35.543 23.018 16.256 1.00 0.00 H new ATOM 680 N MET C 45 35.959 26.364 12.988 1.00 0.00 N ATOM 681 CA MET C 45 36.031 27.209 11.811 1.00 0.00 C ATOM 682 C MET C 45 37.166 28.214 11.940 1.00 0.00 C ATOM 683 O MET C 45 37.884 28.475 10.973 1.00 0.00 O ATOM 684 CB MET C 45 34.711 27.954 11.599 1.00 0.00 C ATOM 685 CG MET C 45 33.637 26.981 11.109 1.00 0.00 C ATOM 686 SD MET C 45 34.026 26.460 9.419 1.00 0.00 S ATOM 687 CE MET C 45 32.721 25.218 9.255 1.00 0.00 C ATOM 0 H MET C 45 35.080 26.416 13.503 1.00 0.00 H new ATOM 0 HA MET C 45 36.220 26.567 10.950 1.00 0.00 H new ATOM 0 HB2 MET C 45 34.393 28.421 12.531 1.00 0.00 H new ATOM 0 HB3 MET C 45 34.848 28.755 10.872 1.00 0.00 H new ATOM 0 HG2 MET C 45 33.589 26.113 11.767 1.00 0.00 H new ATOM 0 HG3 MET C 45 32.657 27.458 11.138 1.00 0.00 H new ATOM 0 HE1 MET C 45 32.776 24.761 8.267 1.00 0.00 H new ATOM 0 HE2 MET C 45 32.851 24.451 10.018 1.00 0.00 H new ATOM 0 HE3 MET C 45 31.748 25.693 9.381 1.00 0.00 H new ATOM 697 N ARG C 46 37.331 28.771 13.135 1.00 0.00 N ATOM 698 CA ARG C 46 38.394 29.743 13.361 1.00 0.00 C ATOM 699 C ARG C 46 39.759 29.091 13.141 1.00 0.00 C ATOM 700 O ARG C 46 40.663 29.699 12.571 1.00 0.00 O ATOM 701 CB ARG C 46 38.312 30.311 14.783 1.00 0.00 C ATOM 702 CG ARG C 46 37.076 31.211 14.922 1.00 0.00 C ATOM 703 CD ARG C 46 37.235 32.108 16.151 1.00 0.00 C ATOM 704 NE ARG C 46 37.341 31.310 17.364 1.00 0.00 N ATOM 705 CZ ARG C 46 37.698 31.867 18.515 1.00 0.00 C ATOM 706 NH1 ARG C 46 37.968 33.143 18.559 1.00 0.00 N ATOM 707 NH2 ARG C 46 37.782 31.142 19.595 1.00 0.00 N1+ ATOM 0 H ARG C 46 36.752 28.570 13.950 1.00 0.00 H new ATOM 0 HA ARG C 46 38.269 30.560 12.651 1.00 0.00 H new ATOM 0 HB2 ARG C 46 38.261 29.497 15.506 1.00 0.00 H new ATOM 0 HB3 ARG C 46 39.213 30.881 15.008 1.00 0.00 H new ATOM 0 HG2 ARG C 46 36.954 31.821 14.027 1.00 0.00 H new ATOM 0 HG3 ARG C 46 36.178 30.601 15.017 1.00 0.00 H new ATOM 0 HD2 ARG C 46 38.124 32.729 16.041 1.00 0.00 H new ATOM 0 HD3 ARG C 46 36.382 32.782 16.227 1.00 0.00 H new ATOM 0 HE ARG C 46 37.139 30.311 17.329 1.00 0.00 H new ATOM 0 HH11 ARG C 46 37.904 33.707 17.712 1.00 0.00 H new ATOM 0 HH12 ARG C 46 38.243 33.576 19.441 1.00 0.00 H new ATOM 0 HH21 ARG C 46 37.573 30.144 19.557 1.00 0.00 H new ATOM 0 HH22 ARG C 46 38.057 31.572 20.478 1.00 0.00 H new ATOM 721 N MET C 47 39.895 27.846 13.581 1.00 0.00 N ATOM 722 CA MET C 47 41.150 27.115 13.418 1.00 0.00 C ATOM 723 C MET C 47 41.470 26.937 11.935 1.00 0.00 C ATOM 724 O MET C 47 42.623 27.035 11.517 1.00 0.00 O ATOM 725 CB MET C 47 41.043 25.750 14.103 1.00 0.00 C ATOM 726 CG MET C 47 41.048 25.940 15.621 1.00 0.00 C ATOM 727 SD MET C 47 42.679 25.512 16.277 1.00 0.00 S ATOM 728 CE MET C 47 42.419 23.722 16.346 1.00 0.00 C ATOM 0 H MET C 47 39.157 27.322 14.051 1.00 0.00 H new ATOM 0 HA MET C 47 41.956 27.685 13.880 1.00 0.00 H new ATOM 0 HB2 MET C 47 40.128 25.246 13.792 1.00 0.00 H new ATOM 0 HB3 MET C 47 41.876 25.114 13.803 1.00 0.00 H new ATOM 0 HG2 MET C 47 40.804 26.973 15.870 1.00 0.00 H new ATOM 0 HG3 MET C 47 40.284 25.312 16.079 1.00 0.00 H new ATOM 0 HE1 MET C 47 43.317 23.238 16.730 1.00 0.00 H new ATOM 0 HE2 MET C 47 41.578 23.502 17.004 1.00 0.00 H new ATOM 0 HE3 MET C 47 42.205 23.347 15.345 1.00 0.00 H new ATOM 738 N LEU C 48 40.432 26.682 11.152 1.00 0.00 N ATOM 739 CA LEU C 48 40.577 26.493 9.710 1.00 0.00 C ATOM 740 C LEU C 48 40.971 27.802 9.034 1.00 0.00 C ATOM 741 O LEU C 48 41.435 27.808 7.894 1.00 0.00 O ATOM 742 CB LEU C 48 39.255 25.988 9.126 1.00 0.00 C ATOM 743 CG LEU C 48 38.985 24.562 9.625 1.00 0.00 C ATOM 744 CD1 LEU C 48 37.574 24.135 9.222 1.00 0.00 C ATOM 745 CD2 LEU C 48 40.003 23.583 9.024 1.00 0.00 C ATOM 0 H LEU C 48 39.473 26.600 11.491 1.00 0.00 H new ATOM 0 HA LEU C 48 41.363 25.759 9.529 1.00 0.00 H new ATOM 0 HB2 LEU C 48 38.439 26.648 9.421 1.00 0.00 H new ATOM 0 HB3 LEU C 48 39.298 26.001 8.037 1.00 0.00 H new ATOM 0 HG LEU C 48 39.078 24.549 10.711 1.00 0.00 H new ATOM 0 HD11 LEU C 48 37.385 23.122 9.578 1.00 0.00 H new ATOM 0 HD12 LEU C 48 36.847 24.816 9.664 1.00 0.00 H new ATOM 0 HD13 LEU C 48 37.482 24.161 8.136 1.00 0.00 H new ATOM 0 HD21 LEU C 48 39.798 22.576 9.388 1.00 0.00 H new ATOM 0 HD22 LEU C 48 39.925 23.599 7.937 1.00 0.00 H new ATOM 0 HD23 LEU C 48 41.010 23.878 9.320 1.00 0.00 H new ATOM 757 N GLY C 49 40.783 28.912 9.742 1.00 0.00 N ATOM 758 CA GLY C 49 41.120 30.220 9.194 1.00 0.00 C ATOM 759 C GLY C 49 39.874 30.948 8.700 1.00 0.00 C ATOM 760 O GLY C 49 39.971 31.991 8.055 1.00 0.00 O ATOM 0 H GLY C 49 40.402 28.932 10.688 1.00 0.00 H new ATOM 0 HA2 GLY C 49 41.617 30.820 9.957 1.00 0.00 H new ATOM 0 HA3 GLY C 49 41.826 30.102 8.372 1.00 0.00 H new ATOM 764 N GLN C 50 38.704 30.390 9.010 1.00 0.00 N ATOM 765 CA GLN C 50 37.445 30.995 8.591 1.00 0.00 C ATOM 766 C GLN C 50 36.706 31.564 9.799 1.00 0.00 C ATOM 767 O GLN C 50 36.711 30.970 10.877 1.00 0.00 O ATOM 768 CB GLN C 50 36.566 29.947 7.909 1.00 0.00 C ATOM 769 CG GLN C 50 37.339 29.314 6.752 1.00 0.00 C ATOM 770 CD GLN C 50 36.421 28.401 5.947 1.00 0.00 C ATOM 771 OE1 GLN C 50 36.223 27.241 6.308 1.00 0.00 O ATOM 772 NE2 GLN C 50 35.850 28.861 4.869 1.00 0.00 N ATOM 0 H GLN C 50 38.604 29.527 9.545 1.00 0.00 H new ATOM 0 HA GLN C 50 37.662 31.801 7.890 1.00 0.00 H new ATOM 0 HB2 GLN C 50 36.271 29.181 8.626 1.00 0.00 H new ATOM 0 HB3 GLN C 50 35.650 30.408 7.540 1.00 0.00 H new ATOM 0 HG2 GLN C 50 37.747 30.093 6.107 1.00 0.00 H new ATOM 0 HG3 GLN C 50 38.184 28.744 7.138 1.00 0.00 H new ATOM 0 HE21 GLN C 50 36.017 29.823 4.574 1.00 0.00 H new ATOM 0 HE22 GLN C 50 35.236 28.259 4.321 1.00 0.00 H new ATOM 781 N ASN C 51 36.076 32.716 9.613 1.00 0.00 N ATOM 782 CA ASN C 51 35.337 33.361 10.692 1.00 0.00 C ATOM 783 C ASN C 51 34.036 33.960 10.171 1.00 0.00 C ATOM 784 O ASN C 51 33.913 35.176 10.031 1.00 0.00 O ATOM 785 CB ASN C 51 36.195 34.453 11.330 1.00 0.00 C ATOM 786 CG ASN C 51 36.797 35.341 10.247 1.00 0.00 C ATOM 787 OD1 ASN C 51 36.190 36.334 9.847 1.00 0.00 O ATOM 788 ND2 ASN C 51 37.961 35.036 9.745 1.00 0.00 N ATOM 0 H ASN C 51 36.061 33.223 8.728 1.00 0.00 H new ATOM 0 HA ASN C 51 35.094 32.609 11.443 1.00 0.00 H new ATOM 0 HB2 ASN C 51 35.589 35.053 12.009 1.00 0.00 H new ATOM 0 HB3 ASN C 51 36.989 34.002 11.925 1.00 0.00 H new ATOM 0 HD21 ASN C 51 38.372 35.621 9.018 1.00 0.00 H new ATOM 0 HD22 ASN C 51 38.461 34.212 10.080 1.00 0.00 H new ATOM 795 N PRO C 52 33.072 33.129 9.874 1.00 0.00 N ATOM 796 CA PRO C 52 31.755 33.578 9.347 1.00 0.00 C ATOM 797 C PRO C 52 30.858 34.137 10.443 1.00 0.00 C ATOM 798 O PRO C 52 31.292 34.344 11.574 1.00 0.00 O ATOM 799 CB PRO C 52 31.161 32.314 8.740 1.00 0.00 C ATOM 800 CG PRO C 52 31.760 31.192 9.516 1.00 0.00 C ATOM 801 CD PRO C 52 33.126 31.665 10.016 1.00 0.00 C ATOM 0 HA PRO C 52 31.855 34.392 8.628 1.00 0.00 H new ATOM 0 HB2 PRO C 52 30.074 32.312 8.819 1.00 0.00 H new ATOM 0 HB3 PRO C 52 31.403 32.234 7.680 1.00 0.00 H new ATOM 0 HG2 PRO C 52 31.118 30.918 10.353 1.00 0.00 H new ATOM 0 HG3 PRO C 52 31.865 30.305 8.891 1.00 0.00 H new ATOM 0 HD2 PRO C 52 33.295 31.371 11.052 1.00 0.00 H new ATOM 0 HD3 PRO C 52 33.937 31.237 9.426 1.00 0.00 H new ATOM 809 N THR C 53 29.604 34.389 10.096 1.00 0.00 N ATOM 810 CA THR C 53 28.662 34.937 11.059 1.00 0.00 C ATOM 811 C THR C 53 27.887 33.827 11.780 1.00 0.00 C ATOM 812 O THR C 53 27.721 32.731 11.237 1.00 0.00 O ATOM 813 CB THR C 53 27.682 35.882 10.357 1.00 0.00 C ATOM 814 OG1 THR C 53 27.247 35.303 9.135 1.00 0.00 O ATOM 815 CG2 THR C 53 28.367 37.220 10.086 1.00 0.00 C ATOM 0 H THR C 53 29.219 34.225 9.166 1.00 0.00 H new ATOM 0 HA THR C 53 29.232 35.491 11.805 1.00 0.00 H new ATOM 0 HB THR C 53 26.816 36.046 10.998 1.00 0.00 H new ATOM 0 HG1 THR C 53 26.619 35.910 8.691 1.00 0.00 H new ATOM 0 HG21 THR C 53 27.669 37.892 9.586 1.00 0.00 H new ATOM 0 HG22 THR C 53 28.685 37.664 11.029 1.00 0.00 H new ATOM 0 HG23 THR C 53 29.237 37.061 9.448 1.00 0.00 H new ATOM 823 N PRO C 54 27.399 34.078 12.984 1.00 0.00 N ATOM 824 CA PRO C 54 26.616 33.055 13.747 1.00 0.00 C ATOM 825 C PRO C 54 25.461 32.472 12.929 1.00 0.00 C ATOM 826 O PRO C 54 25.158 31.282 13.026 1.00 0.00 O ATOM 827 CB PRO C 54 26.053 33.836 14.937 1.00 0.00 C ATOM 828 CG PRO C 54 26.996 34.969 15.148 1.00 0.00 C ATOM 829 CD PRO C 54 27.543 35.336 13.765 1.00 0.00 C ATOM 0 HA PRO C 54 27.242 32.207 14.025 1.00 0.00 H new ATOM 0 HB2 PRO C 54 25.046 34.197 14.729 1.00 0.00 H new ATOM 0 HB3 PRO C 54 25.989 33.207 15.825 1.00 0.00 H new ATOM 0 HG2 PRO C 54 26.487 35.819 15.603 1.00 0.00 H new ATOM 0 HG3 PRO C 54 27.803 34.683 15.822 1.00 0.00 H new ATOM 0 HD2 PRO C 54 26.979 36.153 13.315 1.00 0.00 H new ATOM 0 HD3 PRO C 54 28.583 35.658 13.818 1.00 0.00 H new ATOM 837 N GLU C 55 24.805 33.322 12.142 1.00 0.00 N ATOM 838 CA GLU C 55 23.671 32.881 11.333 1.00 0.00 C ATOM 839 C GLU C 55 24.091 31.821 10.325 1.00 0.00 C ATOM 840 O GLU C 55 23.351 30.876 10.051 1.00 0.00 O ATOM 841 CB GLU C 55 23.083 34.078 10.593 1.00 0.00 C ATOM 842 CG GLU C 55 24.108 34.612 9.599 1.00 0.00 C ATOM 843 CD GLU C 55 23.765 36.048 9.217 1.00 0.00 C ATOM 844 OE1 GLU C 55 23.837 36.903 10.086 1.00 0.00 O ATOM 845 OE2 GLU C 55 23.438 36.274 8.064 1.00 0.00 O1- ATOM 0 H GLU C 55 25.036 34.311 12.047 1.00 0.00 H new ATOM 0 HA GLU C 55 22.925 32.445 11.997 1.00 0.00 H new ATOM 0 HB2 GLU C 55 22.172 33.785 10.071 1.00 0.00 H new ATOM 0 HB3 GLU C 55 22.807 34.858 11.302 1.00 0.00 H new ATOM 0 HG2 GLU C 55 25.106 34.572 10.036 1.00 0.00 H new ATOM 0 HG3 GLU C 55 24.124 33.984 8.708 1.00 0.00 H new ATOM 852 N GLU C 56 25.285 31.986 9.786 1.00 0.00 N ATOM 853 CA GLU C 56 25.818 31.042 8.808 1.00 0.00 C ATOM 854 C GLU C 56 26.070 29.700 9.465 1.00 0.00 C ATOM 855 O GLU C 56 25.797 28.646 8.891 1.00 0.00 O ATOM 856 CB GLU C 56 27.129 31.566 8.237 1.00 0.00 C ATOM 857 CG GLU C 56 26.859 32.833 7.438 1.00 0.00 C ATOM 858 CD GLU C 56 26.115 32.497 6.149 1.00 0.00 C ATOM 859 OE1 GLU C 56 26.041 31.325 5.819 1.00 0.00 O ATOM 860 OE2 GLU C 56 25.635 33.418 5.509 1.00 0.00 O1- ATOM 0 H GLU C 56 25.908 32.763 10.006 1.00 0.00 H new ATOM 0 HA GLU C 56 25.089 30.926 8.006 1.00 0.00 H new ATOM 0 HB2 GLU C 56 27.833 31.774 9.043 1.00 0.00 H new ATOM 0 HB3 GLU C 56 27.589 30.811 7.599 1.00 0.00 H new ATOM 0 HG2 GLU C 56 26.270 33.529 8.035 1.00 0.00 H new ATOM 0 HG3 GLU C 56 27.800 33.331 7.204 1.00 0.00 H new ATOM 867 N LEU C 57 26.598 29.756 10.680 1.00 0.00 N ATOM 868 CA LEU C 57 26.891 28.538 11.425 1.00 0.00 C ATOM 869 C LEU C 57 25.614 27.767 11.701 1.00 0.00 C ATOM 870 O LEU C 57 25.583 26.539 11.606 1.00 0.00 O ATOM 871 CB LEU C 57 27.579 28.870 12.752 1.00 0.00 C ATOM 872 CG LEU C 57 29.009 29.361 12.490 1.00 0.00 C ATOM 873 CD1 LEU C 57 29.606 29.908 13.787 1.00 0.00 C ATOM 874 CD2 LEU C 57 29.885 28.207 11.982 1.00 0.00 C ATOM 0 H LEU C 57 26.830 30.621 11.167 1.00 0.00 H new ATOM 0 HA LEU C 57 27.559 27.925 10.820 1.00 0.00 H new ATOM 0 HB2 LEU C 57 27.014 29.636 13.283 1.00 0.00 H new ATOM 0 HB3 LEU C 57 27.600 27.988 13.392 1.00 0.00 H new ATOM 0 HG LEU C 57 28.977 30.145 11.734 1.00 0.00 H new ATOM 0 HD11 LEU C 57 30.622 30.257 13.601 1.00 0.00 H new ATOM 0 HD12 LEU C 57 28.997 30.738 14.146 1.00 0.00 H new ATOM 0 HD13 LEU C 57 29.625 29.120 14.540 1.00 0.00 H new ATOM 0 HD21 LEU C 57 30.896 28.571 11.801 1.00 0.00 H new ATOM 0 HD22 LEU C 57 29.913 27.415 12.730 1.00 0.00 H new ATOM 0 HD23 LEU C 57 29.468 27.815 11.054 1.00 0.00 H new ATOM 886 N GLN C 58 24.563 28.496 12.047 1.00 0.00 N ATOM 887 CA GLN C 58 23.283 27.863 12.341 1.00 0.00 C ATOM 888 C GLN C 58 22.709 27.226 11.078 1.00 0.00 C ATOM 889 O GLN C 58 22.169 26.121 11.115 1.00 0.00 O ATOM 890 CB GLN C 58 22.299 28.900 12.891 1.00 0.00 C ATOM 891 CG GLN C 58 21.045 28.199 13.424 1.00 0.00 C ATOM 892 CD GLN C 58 21.394 27.354 14.648 1.00 0.00 C ATOM 893 OE1 GLN C 58 21.046 26.095 14.690 1.00 0.00 O flip ATOM 894 NE2 GLN C 58 21.995 27.856 15.597 1.00 0.00 N flip ATOM 0 H GLN C 58 24.568 29.513 12.131 1.00 0.00 H new ATOM 0 HA GLN C 58 23.440 27.087 13.090 1.00 0.00 H new ATOM 0 HB2 GLN C 58 22.771 29.475 13.688 1.00 0.00 H new ATOM 0 HB3 GLN C 58 22.026 29.606 12.107 1.00 0.00 H new ATOM 0 HG2 GLN C 58 20.290 28.939 13.687 1.00 0.00 H new ATOM 0 HG3 GLN C 58 20.615 27.567 12.647 1.00 0.00 H new ATOM 0 HE21 GLN C 58 22.267 28.838 15.566 1.00 0.00 H new ATOM 0 HE22 GLN C 58 22.221 27.290 16.415 1.00 0.00 H new ATOM 903 N GLU C 59 22.830 27.934 9.957 1.00 0.00 N ATOM 904 CA GLU C 59 22.327 27.440 8.685 1.00 0.00 C ATOM 905 C GLU C 59 23.067 26.174 8.265 1.00 0.00 C ATOM 906 O GLU C 59 22.465 25.234 7.746 1.00 0.00 O ATOM 907 CB GLU C 59 22.483 28.520 7.613 1.00 0.00 C ATOM 908 CG GLU C 59 21.886 28.017 6.301 1.00 0.00 C ATOM 909 CD GLU C 59 21.934 29.116 5.244 1.00 0.00 C ATOM 910 OE1 GLU C 59 22.304 30.226 5.588 1.00 0.00 O ATOM 911 OE2 GLU C 59 21.608 28.828 4.105 1.00 0.00 O1- ATOM 0 H GLU C 59 23.273 28.852 9.908 1.00 0.00 H new ATOM 0 HA GLU C 59 21.271 27.196 8.800 1.00 0.00 H new ATOM 0 HB2 GLU C 59 21.982 29.436 7.927 1.00 0.00 H new ATOM 0 HB3 GLU C 59 23.537 28.764 7.477 1.00 0.00 H new ATOM 0 HG2 GLU C 59 22.438 27.144 5.953 1.00 0.00 H new ATOM 0 HG3 GLU C 59 20.855 27.700 6.460 1.00 0.00 H new ATOM 918 N MET C 60 24.376 26.155 8.491 1.00 0.00 N ATOM 919 CA MET C 60 25.182 24.997 8.128 1.00 0.00 C ATOM 920 C MET C 60 24.695 23.757 8.868 1.00 0.00 C ATOM 921 O MET C 60 24.567 22.684 8.281 1.00 0.00 O ATOM 922 CB MET C 60 26.647 25.255 8.490 1.00 0.00 C ATOM 923 CG MET C 60 27.271 26.235 7.495 1.00 0.00 C ATOM 924 SD MET C 60 27.664 25.358 5.960 1.00 0.00 S ATOM 925 CE MET C 60 28.939 26.495 5.365 1.00 0.00 C ATOM 0 H MET C 60 24.897 26.920 8.919 1.00 0.00 H new ATOM 0 HA MET C 60 25.089 24.832 7.055 1.00 0.00 H new ATOM 0 HB2 MET C 60 26.714 25.659 9.500 1.00 0.00 H new ATOM 0 HB3 MET C 60 27.202 24.317 8.484 1.00 0.00 H new ATOM 0 HG2 MET C 60 26.582 27.055 7.293 1.00 0.00 H new ATOM 0 HG3 MET C 60 28.174 26.675 7.918 1.00 0.00 H new ATOM 0 HE1 MET C 60 29.327 26.139 4.411 1.00 0.00 H new ATOM 0 HE2 MET C 60 28.509 27.488 5.234 1.00 0.00 H new ATOM 0 HE3 MET C 60 29.750 26.544 6.091 1.00 0.00 H new ATOM 935 N ILE C 61 24.411 23.913 10.155 1.00 0.00 N ATOM 936 CA ILE C 61 23.925 22.795 10.951 1.00 0.00 C ATOM 937 C ILE C 61 22.530 22.374 10.507 1.00 0.00 C ATOM 938 O ILE C 61 22.215 21.192 10.480 1.00 0.00 O ATOM 939 CB ILE C 61 23.898 23.147 12.425 1.00 0.00 C ATOM 940 CG1 ILE C 61 25.330 23.362 12.904 1.00 0.00 C ATOM 941 CG2 ILE C 61 23.266 21.983 13.193 1.00 0.00 C ATOM 942 CD1 ILE C 61 25.305 23.924 14.318 1.00 0.00 C ATOM 0 H ILE C 61 24.507 24.792 10.664 1.00 0.00 H new ATOM 0 HA ILE C 61 24.614 21.964 10.797 1.00 0.00 H new ATOM 0 HB ILE C 61 23.318 24.055 12.592 1.00 0.00 H new ATOM 0 HG12 ILE C 61 25.878 22.420 12.884 1.00 0.00 H new ATOM 0 HG13 ILE C 61 25.851 24.048 12.236 1.00 0.00 H new ATOM 0 HG21 ILE C 61 23.239 22.221 14.256 1.00 0.00 H new ATOM 0 HG22 ILE C 61 22.251 21.818 12.832 1.00 0.00 H new ATOM 0 HG23 ILE C 61 23.858 21.081 13.038 1.00 0.00 H new ATOM 0 HD11 ILE C 61 26.326 24.080 14.666 1.00 0.00 H new ATOM 0 HD12 ILE C 61 24.771 24.874 14.322 1.00 0.00 H new ATOM 0 HD13 ILE C 61 24.800 23.221 14.980 1.00 0.00 H new ATOM 954 N ASP C 62 21.694 23.357 10.190 1.00 0.00 N ATOM 955 CA ASP C 62 20.323 23.085 9.767 1.00 0.00 C ATOM 956 C ASP C 62 20.311 22.203 8.525 1.00 0.00 C ATOM 957 O ASP C 62 19.482 21.303 8.398 1.00 0.00 O ATOM 958 CB ASP C 62 19.596 24.399 9.473 1.00 0.00 C ATOM 959 CG ASP C 62 18.133 24.124 9.141 1.00 0.00 C ATOM 960 OD1 ASP C 62 17.801 22.971 8.921 1.00 0.00 O ATOM 961 OD2 ASP C 62 17.364 25.072 9.115 1.00 0.00 O1- ATOM 0 H ASP C 62 21.940 24.347 10.217 1.00 0.00 H new ATOM 0 HA ASP C 62 19.811 22.561 10.574 1.00 0.00 H new ATOM 0 HB2 ASP C 62 19.663 25.062 10.336 1.00 0.00 H new ATOM 0 HB3 ASP C 62 20.076 24.911 8.639 1.00 0.00 H new ATOM 966 N GLU C 63 21.238 22.463 7.612 1.00 0.00 N ATOM 967 CA GLU C 63 21.325 21.683 6.384 1.00 0.00 C ATOM 968 C GLU C 63 21.601 20.212 6.701 1.00 0.00 C ATOM 969 O GLU C 63 21.068 19.317 6.046 1.00 0.00 O ATOM 970 CB GLU C 63 22.443 22.241 5.499 1.00 0.00 C ATOM 971 CG GLU C 63 22.021 23.604 4.947 1.00 0.00 C ATOM 972 CD GLU C 63 23.198 24.273 4.243 1.00 0.00 C ATOM 973 OE1 GLU C 63 24.310 23.802 4.415 1.00 0.00 O ATOM 974 OE2 GLU C 63 22.968 25.246 3.543 1.00 0.00 O1- ATOM 0 H GLU C 63 21.936 23.202 7.697 1.00 0.00 H new ATOM 0 HA GLU C 63 20.374 21.752 5.856 1.00 0.00 H new ATOM 0 HB2 GLU C 63 23.363 22.339 6.075 1.00 0.00 H new ATOM 0 HB3 GLU C 63 22.651 21.553 4.680 1.00 0.00 H new ATOM 0 HG2 GLU C 63 21.192 23.482 4.250 1.00 0.00 H new ATOM 0 HG3 GLU C 63 21.664 24.239 5.758 1.00 0.00 H new ATOM 981 N VAL C 64 22.445 19.973 7.700 1.00 0.00 N ATOM 982 CA VAL C 64 22.795 18.609 8.091 1.00 0.00 C ATOM 983 C VAL C 64 21.836 18.074 9.157 1.00 0.00 C ATOM 984 O VAL C 64 21.583 16.871 9.231 1.00 0.00 O ATOM 985 CB VAL C 64 24.223 18.584 8.642 1.00 0.00 C ATOM 986 CG1 VAL C 64 24.619 17.143 8.973 1.00 0.00 C ATOM 987 CG2 VAL C 64 25.184 19.155 7.597 1.00 0.00 C ATOM 0 H VAL C 64 22.898 20.701 8.252 1.00 0.00 H new ATOM 0 HA VAL C 64 22.720 17.974 7.208 1.00 0.00 H new ATOM 0 HB VAL C 64 24.274 19.189 9.548 1.00 0.00 H new ATOM 0 HG11 VAL C 64 25.636 17.126 9.365 1.00 0.00 H new ATOM 0 HG12 VAL C 64 23.935 16.740 9.720 1.00 0.00 H new ATOM 0 HG13 VAL C 64 24.568 16.535 8.070 1.00 0.00 H new ATOM 0 HG21 VAL C 64 26.201 19.137 7.989 1.00 0.00 H new ATOM 0 HG22 VAL C 64 25.135 18.553 6.690 1.00 0.00 H new ATOM 0 HG23 VAL C 64 24.902 20.182 7.366 1.00 0.00 H new ATOM 997 N ASP C 65 21.327 18.974 9.993 1.00 0.00 N ATOM 998 CA ASP C 65 20.417 18.595 11.072 1.00 0.00 C ATOM 999 C ASP C 65 19.002 18.393 10.550 1.00 0.00 C ATOM 1000 O ASP C 65 18.371 19.326 10.057 1.00 0.00 O ATOM 1001 CB ASP C 65 20.396 19.680 12.148 1.00 0.00 C ATOM 1002 CG ASP C 65 19.558 19.220 13.336 1.00 0.00 C ATOM 1003 OD1 ASP C 65 18.978 18.151 13.248 1.00 0.00 O ATOM 1004 OD2 ASP C 65 19.507 19.946 14.317 1.00 0.00 O1- ATOM 0 H ASP C 65 21.529 19.973 9.945 1.00 0.00 H new ATOM 0 HA ASP C 65 20.777 17.657 11.495 1.00 0.00 H new ATOM 0 HB2 ASP C 65 21.413 19.901 12.473 1.00 0.00 H new ATOM 0 HB3 ASP C 65 19.985 20.603 11.738 1.00 0.00 H new ATOM 1009 N GLU C 66 18.515 17.164 10.660 1.00 0.00 N ATOM 1010 CA GLU C 66 17.171 16.838 10.202 1.00 0.00 C ATOM 1011 C GLU C 66 16.120 17.343 11.189 1.00 0.00 C ATOM 1012 O GLU C 66 15.051 17.805 10.790 1.00 0.00 O ATOM 1013 CB GLU C 66 17.038 15.325 10.031 1.00 0.00 C ATOM 1014 CG GLU C 66 18.053 14.847 8.990 1.00 0.00 C ATOM 1015 CD GLU C 66 17.690 15.391 7.612 1.00 0.00 C ATOM 1016 OE1 GLU C 66 16.551 15.793 7.437 1.00 0.00 O ATOM 1017 OE2 GLU C 66 18.556 15.398 6.753 1.00 0.00 O1- ATOM 0 H GLU C 66 19.028 16.379 11.061 1.00 0.00 H new ATOM 0 HA GLU C 66 17.004 17.330 9.244 1.00 0.00 H new ATOM 0 HB2 GLU C 66 17.211 14.823 10.983 1.00 0.00 H new ATOM 0 HB3 GLU C 66 16.027 15.070 9.715 1.00 0.00 H new ATOM 0 HG2 GLU C 66 19.053 15.179 9.268 1.00 0.00 H new ATOM 0 HG3 GLU C 66 18.074 13.757 8.965 1.00 0.00 H new ATOM 1024 N ASP C 67 16.426 17.240 12.482 1.00 0.00 N ATOM 1025 CA ASP C 67 15.493 17.679 13.513 1.00 0.00 C ATOM 1026 C ASP C 67 15.487 19.197 13.633 1.00 0.00 C ATOM 1027 O ASP C 67 14.599 19.776 14.259 1.00 0.00 O ATOM 1028 CB ASP C 67 15.881 17.055 14.857 1.00 0.00 C ATOM 1029 CG ASP C 67 17.399 16.982 14.978 1.00 0.00 C ATOM 1030 OD1 ASP C 67 17.974 16.073 14.405 1.00 0.00 O ATOM 1031 OD2 ASP C 67 17.965 17.839 15.635 1.00 0.00 O1- ATOM 0 H ASP C 67 17.304 16.860 12.836 1.00 0.00 H new ATOM 0 HA ASP C 67 14.491 17.354 13.232 1.00 0.00 H new ATOM 0 HB2 ASP C 67 15.471 17.648 15.675 1.00 0.00 H new ATOM 0 HB3 ASP C 67 15.453 16.056 14.941 1.00 0.00 H new ATOM 1036 N GLY C 68 16.470 19.838 13.018 1.00 0.00 N ATOM 1037 CA GLY C 68 16.549 21.291 13.055 1.00 0.00 C ATOM 1038 C GLY C 68 16.883 21.772 14.460 1.00 0.00 C ATOM 1039 O GLY C 68 16.730 22.952 14.776 1.00 0.00 O ATOM 0 H GLY C 68 17.216 19.382 12.493 1.00 0.00 H new ATOM 0 HA2 GLY C 68 17.310 21.637 12.355 1.00 0.00 H new ATOM 0 HA3 GLY C 68 15.600 21.721 12.733 1.00 0.00 H new ATOM 1043 N SER C 69 17.326 20.848 15.305 1.00 0.00 N ATOM 1044 CA SER C 69 17.664 21.187 16.680 1.00 0.00 C ATOM 1045 C SER C 69 18.809 22.194 16.724 1.00 0.00 C ATOM 1046 O SER C 69 18.971 22.916 17.707 1.00 0.00 O ATOM 1047 CB SER C 69 18.059 19.930 17.452 1.00 0.00 C ATOM 1048 OG SER C 69 19.243 19.384 16.886 1.00 0.00 O ATOM 0 H SER C 69 17.458 19.866 15.064 1.00 0.00 H new ATOM 0 HA SER C 69 16.785 21.635 17.144 1.00 0.00 H new ATOM 0 HB2 SER C 69 18.222 20.171 18.503 1.00 0.00 H new ATOM 0 HB3 SER C 69 17.253 19.198 17.414 1.00 0.00 H new ATOM 0 HG SER C 69 19.069 19.114 15.960 1.00 0.00 H new ATOM 1054 N GLY C 70 19.600 22.241 15.657 1.00 0.00 N ATOM 1055 CA GLY C 70 20.723 23.166 15.597 1.00 0.00 C ATOM 1056 C GLY C 70 21.979 22.542 16.198 1.00 0.00 C ATOM 1057 O GLY C 70 23.006 23.206 16.336 1.00 0.00 O ATOM 0 H GLY C 70 19.485 21.655 14.830 1.00 0.00 H new ATOM 0 HA2 GLY C 70 20.912 23.447 14.561 1.00 0.00 H new ATOM 0 HA3 GLY C 70 20.474 24.081 16.135 1.00 0.00 H new ATOM 1061 N THR C 71 21.888 21.263 16.546 1.00 0.00 N ATOM 1062 CA THR C 71 23.026 20.553 17.124 1.00 0.00 C ATOM 1063 C THR C 71 23.202 19.193 16.458 1.00 0.00 C ATOM 1064 O THR C 71 22.263 18.661 15.865 1.00 0.00 O ATOM 1065 CB THR C 71 22.813 20.362 18.626 1.00 0.00 C ATOM 1066 OG1 THR C 71 21.662 19.556 18.839 1.00 0.00 O ATOM 1067 CG2 THR C 71 22.614 21.725 19.290 1.00 0.00 C ATOM 0 H THR C 71 21.045 20.699 16.439 1.00 0.00 H new ATOM 0 HA THR C 71 23.924 21.147 16.956 1.00 0.00 H new ATOM 0 HB THR C 71 23.685 19.873 19.060 1.00 0.00 H new ATOM 0 HG1 THR C 71 21.092 19.582 18.042 1.00 0.00 H new ATOM 0 HG21 THR C 71 22.462 21.589 20.361 1.00 0.00 H new ATOM 0 HG22 THR C 71 23.497 22.343 19.124 1.00 0.00 H new ATOM 0 HG23 THR C 71 21.741 22.216 18.859 1.00 0.00 H new ATOM 1075 N VAL C 72 24.406 18.634 16.566 1.00 0.00 N ATOM 1076 CA VAL C 72 24.691 17.328 15.972 1.00 0.00 C ATOM 1077 C VAL C 72 25.044 16.324 17.071 1.00 0.00 C ATOM 1078 O VAL C 72 25.961 16.548 17.864 1.00 0.00 O ATOM 1079 CB VAL C 72 25.858 17.451 14.973 1.00 0.00 C ATOM 1080 CG1 VAL C 72 26.133 16.112 14.271 1.00 0.00 C ATOM 1081 CG2 VAL C 72 25.514 18.502 13.919 1.00 0.00 C ATOM 0 H VAL C 72 25.194 19.060 17.054 1.00 0.00 H new ATOM 0 HA VAL C 72 23.807 16.975 15.441 1.00 0.00 H new ATOM 0 HB VAL C 72 26.750 17.743 15.527 1.00 0.00 H new ATOM 0 HG11 VAL C 72 26.961 16.231 13.573 1.00 0.00 H new ATOM 0 HG12 VAL C 72 26.390 15.358 15.014 1.00 0.00 H new ATOM 0 HG13 VAL C 72 25.242 15.797 13.727 1.00 0.00 H new ATOM 0 HG21 VAL C 72 26.338 18.591 13.211 1.00 0.00 H new ATOM 0 HG22 VAL C 72 24.610 18.203 13.388 1.00 0.00 H new ATOM 0 HG23 VAL C 72 25.348 19.464 14.405 1.00 0.00 H new ATOM 1091 N ASP C 73 24.307 15.218 17.103 1.00 0.00 N ATOM 1092 CA ASP C 73 24.540 14.170 18.089 1.00 0.00 C ATOM 1093 C ASP C 73 25.456 13.096 17.505 1.00 0.00 C ATOM 1094 O ASP C 73 26.033 13.281 16.433 1.00 0.00 O ATOM 1095 CB ASP C 73 23.212 13.550 18.532 1.00 0.00 C ATOM 1096 CG ASP C 73 22.557 12.820 17.369 1.00 0.00 C ATOM 1097 OD1 ASP C 73 23.167 12.765 16.318 1.00 0.00 O ATOM 1098 OD2 ASP C 73 21.453 12.331 17.542 1.00 0.00 O1- ATOM 0 H ASP C 73 23.542 15.025 16.456 1.00 0.00 H new ATOM 0 HA ASP C 73 25.024 14.611 18.960 1.00 0.00 H new ATOM 0 HB2 ASP C 73 23.383 12.857 19.356 1.00 0.00 H new ATOM 0 HB3 ASP C 73 22.545 14.328 18.904 1.00 0.00 H new ATOM 1103 N PHE C 74 25.589 11.980 18.215 1.00 0.00 N ATOM 1104 CA PHE C 74 26.443 10.887 17.755 1.00 0.00 C ATOM 1105 C PHE C 74 25.984 10.323 16.411 1.00 0.00 C ATOM 1106 O PHE C 74 26.787 10.174 15.489 1.00 0.00 O ATOM 1107 CB PHE C 74 26.422 9.759 18.789 1.00 0.00 C ATOM 1108 CG PHE C 74 27.571 9.923 19.750 1.00 0.00 C ATOM 1109 CD1 PHE C 74 28.870 9.670 19.308 1.00 0.00 C ATOM 1110 CD2 PHE C 74 27.341 10.307 21.075 1.00 0.00 C ATOM 1111 CE1 PHE C 74 29.949 9.798 20.184 1.00 0.00 C ATOM 1112 CE2 PHE C 74 28.420 10.434 21.959 1.00 0.00 C ATOM 1113 CZ PHE C 74 29.724 10.179 21.514 1.00 0.00 C ATOM 0 H PHE C 74 25.121 11.808 19.105 1.00 0.00 H new ATOM 0 HA PHE C 74 27.449 11.288 17.631 1.00 0.00 H new ATOM 0 HB2 PHE C 74 25.477 9.770 19.333 1.00 0.00 H new ATOM 0 HB3 PHE C 74 26.490 8.793 18.288 1.00 0.00 H new ATOM 0 HD1 PHE C 74 29.041 9.374 18.284 1.00 0.00 H new ATOM 0 HD2 PHE C 74 26.335 10.505 21.415 1.00 0.00 H new ATOM 0 HE1 PHE C 74 30.954 9.604 19.838 1.00 0.00 H new ATOM 0 HE2 PHE C 74 28.247 10.728 22.984 1.00 0.00 H new ATOM 0 HZ PHE C 74 30.556 10.276 22.196 1.00 0.00 H new ATOM 1123 N ASP C 75 24.702 9.993 16.311 1.00 0.00 N ATOM 1124 CA ASP C 75 24.159 9.429 15.078 1.00 0.00 C ATOM 1125 C ASP C 75 24.269 10.418 13.924 1.00 0.00 C ATOM 1126 O ASP C 75 24.661 10.050 12.819 1.00 0.00 O ATOM 1127 CB ASP C 75 22.687 9.065 15.288 1.00 0.00 C ATOM 1128 CG ASP C 75 22.564 7.858 16.215 1.00 0.00 C ATOM 1129 OD1 ASP C 75 23.569 7.206 16.444 1.00 0.00 O ATOM 1130 OD2 ASP C 75 21.466 7.607 16.683 1.00 0.00 O1- ATOM 0 H ASP C 75 24.022 10.105 17.063 1.00 0.00 H new ATOM 0 HA ASP C 75 24.737 8.539 14.828 1.00 0.00 H new ATOM 0 HB2 ASP C 75 22.153 9.914 15.714 1.00 0.00 H new ATOM 0 HB3 ASP C 75 22.220 8.844 14.328 1.00 0.00 H new ATOM 1135 N GLU C 76 23.918 11.672 14.190 1.00 0.00 N ATOM 1136 CA GLU C 76 23.975 12.706 13.162 1.00 0.00 C ATOM 1137 C GLU C 76 25.417 12.948 12.735 1.00 0.00 C ATOM 1138 O GLU C 76 25.708 13.096 11.548 1.00 0.00 O ATOM 1139 CB GLU C 76 23.363 14.006 13.691 1.00 0.00 C ATOM 1140 CG GLU C 76 21.855 13.819 13.887 1.00 0.00 C ATOM 1141 CD GLU C 76 21.245 15.067 14.518 1.00 0.00 C ATOM 1142 OE1 GLU C 76 21.885 16.103 14.476 1.00 0.00 O ATOM 1143 OE2 GLU C 76 20.148 14.965 15.046 1.00 0.00 O1- ATOM 0 H GLU C 76 23.593 11.996 15.101 1.00 0.00 H new ATOM 0 HA GLU C 76 23.404 12.370 12.297 1.00 0.00 H new ATOM 0 HB2 GLU C 76 23.832 14.283 14.635 1.00 0.00 H new ATOM 0 HB3 GLU C 76 23.551 14.820 12.991 1.00 0.00 H new ATOM 0 HG2 GLU C 76 21.379 13.618 12.927 1.00 0.00 H new ATOM 0 HG3 GLU C 76 21.668 12.953 14.523 1.00 0.00 H new ATOM 1150 N PHE C 77 26.317 12.974 13.711 1.00 0.00 N ATOM 1151 CA PHE C 77 27.731 13.185 13.429 1.00 0.00 C ATOM 1152 C PHE C 77 28.271 12.063 12.555 1.00 0.00 C ATOM 1153 O PHE C 77 28.994 12.305 11.588 1.00 0.00 O ATOM 1154 CB PHE C 77 28.531 13.244 14.730 1.00 0.00 C ATOM 1155 CG PHE C 77 29.986 13.503 14.416 1.00 0.00 C ATOM 1156 CD1 PHE C 77 30.448 14.818 14.273 1.00 0.00 C ATOM 1157 CD2 PHE C 77 30.875 12.430 14.265 1.00 0.00 C ATOM 1158 CE1 PHE C 77 31.797 15.059 13.984 1.00 0.00 C ATOM 1159 CE2 PHE C 77 32.224 12.672 13.975 1.00 0.00 C ATOM 1160 CZ PHE C 77 32.685 13.986 13.836 1.00 0.00 C ATOM 0 H PHE C 77 26.094 12.852 14.699 1.00 0.00 H new ATOM 0 HA PHE C 77 27.834 14.133 12.901 1.00 0.00 H new ATOM 0 HB2 PHE C 77 28.141 14.033 15.374 1.00 0.00 H new ATOM 0 HB3 PHE C 77 28.427 12.306 15.276 1.00 0.00 H new ATOM 0 HD1 PHE C 77 29.764 15.646 14.386 1.00 0.00 H new ATOM 0 HD2 PHE C 77 30.520 11.416 14.372 1.00 0.00 H new ATOM 0 HE1 PHE C 77 32.153 16.073 13.875 1.00 0.00 H new ATOM 0 HE2 PHE C 77 32.908 11.845 13.859 1.00 0.00 H new ATOM 0 HZ PHE C 77 33.725 14.173 13.615 1.00 0.00 H new ATOM 1170 N LEU C 78 27.938 10.827 12.915 1.00 0.00 N ATOM 1171 CA LEU C 78 28.422 9.678 12.161 1.00 0.00 C ATOM 1172 C LEU C 78 27.924 9.753 10.719 1.00 0.00 C ATOM 1173 O LEU C 78 28.664 9.464 9.779 1.00 0.00 O ATOM 1174 CB LEU C 78 27.929 8.379 12.809 1.00 0.00 C ATOM 1175 CG LEU C 78 28.535 7.165 12.095 1.00 0.00 C ATOM 1176 CD1 LEU C 78 30.061 7.172 12.249 1.00 0.00 C ATOM 1177 CD2 LEU C 78 27.966 5.889 12.717 1.00 0.00 C ATOM 0 H LEU C 78 27.344 10.598 13.712 1.00 0.00 H new ATOM 0 HA LEU C 78 29.512 9.689 12.165 1.00 0.00 H new ATOM 0 HB2 LEU C 78 28.204 8.364 13.864 1.00 0.00 H new ATOM 0 HB3 LEU C 78 26.841 8.331 12.762 1.00 0.00 H new ATOM 0 HG LEU C 78 28.287 7.206 11.034 1.00 0.00 H new ATOM 0 HD11 LEU C 78 30.482 6.306 11.739 1.00 0.00 H new ATOM 0 HD12 LEU C 78 30.467 8.084 11.811 1.00 0.00 H new ATOM 0 HD13 LEU C 78 30.320 7.131 13.307 1.00 0.00 H new ATOM 0 HD21 LEU C 78 28.391 5.019 12.216 1.00 0.00 H new ATOM 0 HD22 LEU C 78 28.219 5.857 13.777 1.00 0.00 H new ATOM 0 HD23 LEU C 78 26.882 5.880 12.602 1.00 0.00 H new ATOM 1189 N VAL C 79 26.661 10.143 10.555 1.00 0.00 N ATOM 1190 CA VAL C 79 26.061 10.256 9.228 1.00 0.00 C ATOM 1191 C VAL C 79 26.780 11.298 8.382 1.00 0.00 C ATOM 1192 O VAL C 79 26.992 11.103 7.187 1.00 0.00 O ATOM 1193 CB VAL C 79 24.582 10.636 9.346 1.00 0.00 C ATOM 1194 CG1 VAL C 79 24.033 10.993 7.963 1.00 0.00 C ATOM 1195 CG2 VAL C 79 23.790 9.455 9.910 1.00 0.00 C ATOM 0 H VAL C 79 26.035 10.385 11.323 1.00 0.00 H new ATOM 0 HA VAL C 79 26.155 9.286 8.740 1.00 0.00 H new ATOM 0 HB VAL C 79 24.485 11.493 10.013 1.00 0.00 H new ATOM 0 HG11 VAL C 79 22.980 11.263 8.048 1.00 0.00 H new ATOM 0 HG12 VAL C 79 24.592 11.835 7.556 1.00 0.00 H new ATOM 0 HG13 VAL C 79 24.135 10.135 7.299 1.00 0.00 H new ATOM 0 HG21 VAL C 79 22.738 9.729 9.993 1.00 0.00 H new ATOM 0 HG22 VAL C 79 23.891 8.598 9.244 1.00 0.00 H new ATOM 0 HG23 VAL C 79 24.176 9.196 10.896 1.00 0.00 H new ATOM 1205 N MET C 80 27.144 12.404 9.008 1.00 0.00 N ATOM 1206 CA MET C 80 27.828 13.477 8.310 1.00 0.00 C ATOM 1207 C MET C 80 29.177 12.994 7.805 1.00 0.00 C ATOM 1208 O MET C 80 29.606 13.341 6.703 1.00 0.00 O ATOM 1209 CB MET C 80 28.017 14.666 9.253 1.00 0.00 C ATOM 1210 CG MET C 80 28.636 15.836 8.485 1.00 0.00 C ATOM 1211 SD MET C 80 28.757 17.289 9.566 1.00 0.00 S ATOM 1212 CE MET C 80 30.185 16.763 10.549 1.00 0.00 C ATOM 0 H MET C 80 26.977 12.582 9.998 1.00 0.00 H new ATOM 0 HA MET C 80 27.226 13.789 7.457 1.00 0.00 H new ATOM 0 HB2 MET C 80 27.058 14.963 9.677 1.00 0.00 H new ATOM 0 HB3 MET C 80 28.660 14.384 10.086 1.00 0.00 H new ATOM 0 HG2 MET C 80 29.625 15.560 8.120 1.00 0.00 H new ATOM 0 HG3 MET C 80 28.028 16.071 7.611 1.00 0.00 H new ATOM 0 HE1 MET C 80 29.902 16.705 11.600 1.00 0.00 H new ATOM 0 HE2 MET C 80 30.520 15.783 10.209 1.00 0.00 H new ATOM 0 HE3 MET C 80 30.994 17.484 10.431 1.00 0.00 H new ATOM 1222 N MET C 81 29.842 12.195 8.627 1.00 0.00 N ATOM 1223 CA MET C 81 31.156 11.670 8.268 1.00 0.00 C ATOM 1224 C MET C 81 31.061 10.803 7.015 1.00 0.00 C ATOM 1225 O MET C 81 31.861 10.936 6.083 1.00 0.00 O ATOM 1226 CB MET C 81 31.713 10.842 9.425 1.00 0.00 C ATOM 1227 CG MET C 81 33.168 10.485 9.127 1.00 0.00 C ATOM 1228 SD MET C 81 33.918 9.709 10.576 1.00 0.00 S ATOM 1229 CE MET C 81 35.619 9.764 9.969 1.00 0.00 C ATOM 0 H MET C 81 29.499 11.897 9.540 1.00 0.00 H new ATOM 0 HA MET C 81 31.823 12.507 8.064 1.00 0.00 H new ATOM 0 HB2 MET C 81 31.647 11.404 10.356 1.00 0.00 H new ATOM 0 HB3 MET C 81 31.123 9.935 9.557 1.00 0.00 H new ATOM 0 HG2 MET C 81 33.218 9.808 8.274 1.00 0.00 H new ATOM 0 HG3 MET C 81 33.724 11.382 8.855 1.00 0.00 H new ATOM 0 HE1 MET C 81 36.151 8.870 10.294 1.00 0.00 H new ATOM 0 HE2 MET C 81 35.615 9.808 8.880 1.00 0.00 H new ATOM 0 HE3 MET C 81 36.119 10.648 10.366 1.00 0.00 H new ATOM 1239 N VAL C 82 30.065 9.923 6.996 1.00 0.00 N ATOM 1240 CA VAL C 82 29.857 9.043 5.854 1.00 0.00 C ATOM 1241 C VAL C 82 29.475 9.847 4.617 1.00 0.00 C ATOM 1242 O VAL C 82 29.923 9.552 3.508 1.00 0.00 O ATOM 1243 CB VAL C 82 28.764 8.020 6.161 1.00 0.00 C ATOM 1244 CG1 VAL C 82 28.414 7.248 4.886 1.00 0.00 C ATOM 1245 CG2 VAL C 82 29.266 7.041 7.225 1.00 0.00 C ATOM 0 H VAL C 82 29.393 9.801 7.754 1.00 0.00 H new ATOM 0 HA VAL C 82 30.792 8.518 5.657 1.00 0.00 H new ATOM 0 HB VAL C 82 27.878 8.536 6.529 1.00 0.00 H new ATOM 0 HG11 VAL C 82 27.634 6.518 5.105 1.00 0.00 H new ATOM 0 HG12 VAL C 82 28.057 7.943 4.126 1.00 0.00 H new ATOM 0 HG13 VAL C 82 29.301 6.732 4.518 1.00 0.00 H new ATOM 0 HG21 VAL C 82 28.487 6.311 7.444 1.00 0.00 H new ATOM 0 HG22 VAL C 82 30.153 6.525 6.856 1.00 0.00 H new ATOM 0 HG23 VAL C 82 29.517 7.588 8.134 1.00 0.00 H new ATOM 1255 N ARG C 83 28.625 10.850 4.805 1.00 0.00 N ATOM 1256 CA ARG C 83 28.175 11.667 3.692 1.00 0.00 C ATOM 1257 C ARG C 83 29.371 12.285 2.968 1.00 0.00 C ATOM 1258 O ARG C 83 29.425 12.294 1.738 1.00 0.00 O ATOM 1259 CB ARG C 83 27.263 12.772 4.222 1.00 0.00 C ATOM 1260 CG ARG C 83 26.211 13.132 3.171 1.00 0.00 C ATOM 1261 CD ARG C 83 25.271 14.197 3.739 1.00 0.00 C ATOM 1262 NE ARG C 83 25.591 15.505 3.177 1.00 0.00 N ATOM 1263 CZ ARG C 83 25.193 15.841 1.953 1.00 0.00 C ATOM 1264 NH1 ARG C 83 24.510 14.992 1.233 1.00 0.00 N ATOM 1265 NH2 ARG C 83 25.486 17.017 1.470 1.00 0.00 N1+ ATOM 0 H ARG C 83 28.238 11.113 5.711 1.00 0.00 H new ATOM 0 HA ARG C 83 27.628 11.043 2.985 1.00 0.00 H new ATOM 0 HB2 ARG C 83 26.775 12.443 5.139 1.00 0.00 H new ATOM 0 HB3 ARG C 83 27.854 13.653 4.474 1.00 0.00 H new ATOM 0 HG2 ARG C 83 26.695 13.503 2.268 1.00 0.00 H new ATOM 0 HG3 ARG C 83 25.645 12.245 2.888 1.00 0.00 H new ATOM 0 HD2 ARG C 83 24.237 13.938 3.511 1.00 0.00 H new ATOM 0 HD3 ARG C 83 25.360 14.228 4.825 1.00 0.00 H new ATOM 0 HE ARG C 83 26.128 16.172 3.731 1.00 0.00 H new ATOM 0 HH11 ARG C 83 24.282 14.072 1.609 1.00 0.00 H new ATOM 0 HH12 ARG C 83 24.205 15.249 0.294 1.00 0.00 H new ATOM 0 HH21 ARG C 83 26.021 17.680 2.031 1.00 0.00 H new ATOM 0 HH22 ARG C 83 25.180 17.273 0.531 1.00 0.00 H new ATOM 1279 N CYS C 84 30.336 12.788 3.739 1.00 0.00 N ATOM 1280 CA CYS C 84 31.533 13.391 3.153 1.00 0.00 C ATOM 1281 C CYS C 84 32.298 12.357 2.330 1.00 0.00 C ATOM 1282 O CYS C 84 32.717 12.631 1.208 1.00 0.00 O ATOM 1283 CB CYS C 84 32.441 13.953 4.249 1.00 0.00 C ATOM 1284 SG CYS C 84 33.905 14.704 3.491 1.00 0.00 S ATOM 0 H CYS C 84 30.313 12.790 4.759 1.00 0.00 H new ATOM 0 HA CYS C 84 31.221 14.206 2.500 1.00 0.00 H new ATOM 0 HB2 CYS C 84 31.902 14.695 4.838 1.00 0.00 H new ATOM 0 HB3 CYS C 84 32.739 13.158 4.933 1.00 0.00 H new ATOM 0 HG CYS C 84 34.677 15.184 4.420 1.00 0.00 H new ATOM 1290 N MET C 85 32.467 11.168 2.898 1.00 0.00 N ATOM 1291 CA MET C 85 33.181 10.093 2.207 1.00 0.00 C ATOM 1292 C MET C 85 32.460 9.719 0.914 1.00 0.00 C ATOM 1293 O MET C 85 33.079 9.260 -0.045 1.00 0.00 O ATOM 1294 CB MET C 85 33.275 8.865 3.113 1.00 0.00 C ATOM 1295 CG MET C 85 34.325 9.103 4.202 1.00 0.00 C ATOM 1296 SD MET C 85 35.977 9.076 3.459 1.00 0.00 S ATOM 1297 CE MET C 85 36.936 9.256 4.985 1.00 0.00 C ATOM 0 H MET C 85 32.124 10.922 3.827 1.00 0.00 H new ATOM 0 HA MET C 85 34.184 10.443 1.964 1.00 0.00 H new ATOM 0 HB2 MET C 85 32.305 8.662 3.568 1.00 0.00 H new ATOM 0 HB3 MET C 85 33.541 7.987 2.524 1.00 0.00 H new ATOM 0 HG2 MET C 85 34.149 10.062 4.689 1.00 0.00 H new ATOM 0 HG3 MET C 85 34.248 8.335 4.972 1.00 0.00 H new ATOM 0 HE1 MET C 85 38.000 9.263 4.748 1.00 0.00 H new ATOM 0 HE2 MET C 85 36.668 10.192 5.475 1.00 0.00 H new ATOM 0 HE3 MET C 85 36.718 8.422 5.652 1.00 0.00 H new ATOM 1307 N LYS C 86 31.147 9.907 0.905 1.00 0.00 N ATOM 1308 CA LYS C 86 30.338 9.582 -0.266 1.00 0.00 C ATOM 1309 C LYS C 86 30.232 10.787 -1.195 1.00 0.00 C ATOM 1310 O LYS C 86 29.476 10.764 -2.168 1.00 0.00 O ATOM 1311 CB LYS C 86 28.937 9.152 0.178 1.00 0.00 C ATOM 1312 CG LYS C 86 29.029 7.929 1.094 1.00 0.00 C ATOM 1313 CD LYS C 86 29.108 6.647 0.259 1.00 0.00 C ATOM 1314 CE LYS C 86 29.157 5.437 1.194 1.00 0.00 C ATOM 1315 NZ LYS C 86 29.161 4.186 0.387 1.00 0.00 N1+ ATOM 0 H LYS C 86 30.619 10.282 1.693 1.00 0.00 H new ATOM 0 HA LYS C 86 30.818 8.765 -0.805 1.00 0.00 H new ATOM 0 HB2 LYS C 86 28.445 9.972 0.701 1.00 0.00 H new ATOM 0 HB3 LYS C 86 28.326 8.918 -0.694 1.00 0.00 H new ATOM 0 HG2 LYS C 86 29.908 8.010 1.733 1.00 0.00 H new ATOM 0 HG3 LYS C 86 28.160 7.891 1.750 1.00 0.00 H new ATOM 0 HD2 LYS C 86 28.244 6.576 -0.402 1.00 0.00 H new ATOM 0 HD3 LYS C 86 29.994 6.667 -0.376 1.00 0.00 H new ATOM 0 HE2 LYS C 86 30.049 5.482 1.818 1.00 0.00 H new ATOM 0 HE3 LYS C 86 28.298 5.447 1.865 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 29.194 3.363 1.022 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 28.297 4.143 -0.191 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 29.994 4.177 -0.235 1.00 0.00 H new ATOM 1508 N ALA I 152 41.694 18.717 4.338 1.00 0.00 N ATOM 1509 CA ALA I 152 42.062 19.649 5.396 1.00 0.00 C ATOM 1510 C ALA I 152 41.468 19.207 6.728 1.00 0.00 C ATOM 1511 O ALA I 152 42.143 19.228 7.757 1.00 0.00 O ATOM 1512 CB ALA I 152 41.554 21.049 5.056 1.00 0.00 C ATOM 0 HA ALA I 152 43.149 19.664 5.479 1.00 0.00 H new ATOM 0 HB1 ALA I 152 41.833 21.740 5.851 1.00 0.00 H new ATOM 0 HB2 ALA I 152 41.998 21.379 4.117 1.00 0.00 H new ATOM 0 HB3 ALA I 152 40.469 21.028 4.957 1.00 0.00 H new ATOM 1518 N MET I 153 40.202 18.797 6.699 1.00 0.00 N ATOM 1519 CA MET I 153 39.534 18.342 7.915 1.00 0.00 C ATOM 1520 C MET I 153 40.237 17.114 8.486 1.00 0.00 C ATOM 1521 O MET I 153 40.503 17.040 9.686 1.00 0.00 O ATOM 1522 CB MET I 153 38.065 18.019 7.621 1.00 0.00 C ATOM 1523 CG MET I 153 37.380 17.531 8.902 1.00 0.00 C ATOM 1524 SD MET I 153 35.602 17.320 8.618 1.00 0.00 S ATOM 1525 CE MET I 153 35.105 19.046 8.858 1.00 0.00 C ATOM 0 H MET I 153 39.625 18.770 5.859 1.00 0.00 H new ATOM 0 HA MET I 153 39.580 19.142 8.654 1.00 0.00 H new ATOM 0 HB2 MET I 153 37.557 18.905 7.239 1.00 0.00 H new ATOM 0 HB3 MET I 153 37.998 17.255 6.847 1.00 0.00 H new ATOM 0 HG2 MET I 153 37.820 16.586 9.221 1.00 0.00 H new ATOM 0 HG3 MET I 153 37.545 18.247 9.707 1.00 0.00 H new ATOM 0 HE1 MET I 153 34.587 19.146 9.812 1.00 0.00 H new ATOM 0 HE2 MET I 153 35.990 19.683 8.857 1.00 0.00 H new ATOM 0 HE3 MET I 153 34.439 19.349 8.050 1.00 0.00 H new ATOM 1535 N MET I 154 40.541 16.157 7.617 1.00 0.00 N ATOM 1536 CA MET I 154 41.220 14.937 8.042 1.00 0.00 C ATOM 1537 C MET I 154 42.600 15.256 8.601 1.00 0.00 C ATOM 1538 O MET I 154 43.029 14.664 9.591 1.00 0.00 O ATOM 1539 CB MET I 154 41.352 13.973 6.861 1.00 0.00 C ATOM 1540 CG MET I 154 39.991 13.343 6.558 1.00 0.00 C ATOM 1541 SD MET I 154 39.692 11.996 7.733 1.00 0.00 S ATOM 1542 CE MET I 154 37.981 12.411 8.149 1.00 0.00 C ATOM 0 H MET I 154 40.330 16.200 6.620 1.00 0.00 H new ATOM 0 HA MET I 154 40.626 14.469 8.826 1.00 0.00 H new ATOM 0 HB2 MET I 154 41.721 14.505 5.984 1.00 0.00 H new ATOM 0 HB3 MET I 154 42.080 13.196 7.093 1.00 0.00 H new ATOM 0 HG2 MET I 154 39.203 14.092 6.635 1.00 0.00 H new ATOM 0 HG3 MET I 154 39.971 12.963 5.536 1.00 0.00 H new ATOM 0 HE1 MET I 154 37.598 11.692 8.873 1.00 0.00 H new ATOM 0 HE2 MET I 154 37.943 13.412 8.578 1.00 0.00 H new ATOM 0 HE3 MET I 154 37.369 12.379 7.247 1.00 0.00 H new ATOM 1552 N GLN I 155 43.292 16.190 7.963 1.00 0.00 N ATOM 1553 CA GLN I 155 44.624 16.570 8.409 1.00 0.00 C ATOM 1554 C GLN I 155 44.578 17.123 9.829 1.00 0.00 C ATOM 1555 O GLN I 155 45.418 16.783 10.663 1.00 0.00 O ATOM 1556 CB GLN I 155 45.206 17.625 7.464 1.00 0.00 C ATOM 1557 CG GLN I 155 46.632 17.971 7.895 1.00 0.00 C ATOM 1558 CD GLN I 155 47.264 18.921 6.884 1.00 0.00 C ATOM 1559 OE1 GLN I 155 46.717 19.131 5.802 1.00 0.00 O ATOM 1560 NE2 GLN I 155 48.389 19.515 7.176 1.00 0.00 N ATOM 0 H GLN I 155 42.957 16.694 7.142 1.00 0.00 H new ATOM 0 HA GLN I 155 45.258 15.683 8.400 1.00 0.00 H new ATOM 0 HB2 GLN I 155 45.206 17.250 6.440 1.00 0.00 H new ATOM 0 HB3 GLN I 155 44.585 18.520 7.476 1.00 0.00 H new ATOM 0 HG2 GLN I 155 46.621 18.432 8.883 1.00 0.00 H new ATOM 0 HG3 GLN I 155 47.228 17.062 7.974 1.00 0.00 H new ATOM 0 HE21 GLN I 155 48.841 19.339 8.074 1.00 0.00 H new ATOM 0 HE22 GLN I 155 48.817 20.155 6.507 1.00 0.00 H new ATOM 1569 N ALA I 156 43.596 17.975 10.101 1.00 0.00 N ATOM 1570 CA ALA I 156 43.465 18.560 11.430 1.00 0.00 C ATOM 1571 C ALA I 156 43.215 17.478 12.476 1.00 0.00 C ATOM 1572 O ALA I 156 43.811 17.494 13.553 1.00 0.00 O ATOM 1573 CB ALA I 156 42.309 19.561 11.445 1.00 0.00 C ATOM 0 H ALA I 156 42.888 18.273 9.430 1.00 0.00 H new ATOM 0 HA ALA I 156 44.396 19.072 11.673 1.00 0.00 H new ATOM 0 HB1 ALA I 156 42.216 19.995 12.441 1.00 0.00 H new ATOM 0 HB2 ALA I 156 42.504 20.352 10.721 1.00 0.00 H new ATOM 0 HB3 ALA I 156 41.382 19.050 11.184 1.00 0.00 H new