USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 497 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: B 180 ASN : amide:sc= -0.121 K(o=-0.19,f=-3.5!) USER MOD Set 1.2: B 181 ASN : amide:sc= -0.0694 K(o=-0.19,f=-1.6) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot -100:sc= -0.604 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.021) USER MOD Single : A 15 ASN : amide:sc= -0.0726 K(o=-0.073,f=-0.58) USER MOD Single : A 20 ASN : amide:sc= -0.115 X(o=-0.12,f=-0.12) USER MOD Single : A 24 THR OG1 : rot 150:sc= -0.0426 USER MOD Single : A 25 ASN : amide:sc=-0.00652 K(o=-0.0065,f=-1.1) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.0383 K(o=-0.038,f=1.3) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 39 MET CE :methyl -91:sc= -0.11 (180deg=-0.473) USER MOD Single : B 182 THR OG1 : rot 96:sc= 1.23 USER MOD Single : B 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 184 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 187 ASN : amide:sc= -0.192 X(o=-0.19,f=-0.12) USER MOD Single : B 192 ASN : amide:sc= -0.816 K(o=-0.82,f=-2!) USER MOD Single : B 196 THR OG1 : rot 170:sc= 0 USER MOD Single : B 197 ASN : amide:sc= -0.198 K(o=-0.2,f=-1.2) USER MOD Single : B 201 ASN : amide:sc= -0.177 K(o=-0.18,f=-1.3!) USER MOD Single : B 208 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 209 ASN : amide:sc= -0.345 K(o=-0.35,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 88 N LEU A 7 2.196 -1.719 -6.709 1.00 62.30 N ATOM 89 CA LEU A 7 2.453 -0.399 -7.275 1.00 52.22 C ATOM 90 C LEU A 7 3.775 0.165 -6.764 1.00 13.22 C ATOM 91 O LEU A 7 3.919 1.374 -6.590 1.00 14.14 O ATOM 92 CB LEU A 7 1.310 0.557 -6.930 1.00 34.21 C ATOM 93 CG LEU A 7 0.032 0.401 -7.754 1.00 51.31 C ATOM 94 CD1 LEU A 7 -1.126 1.128 -7.088 1.00 3.13 C ATOM 95 CD2 LEU A 7 0.244 0.916 -9.171 1.00 42.42 C ATOM 0 HA LEU A 7 2.518 -0.502 -8.358 1.00 52.22 H new ATOM 0 HB2 LEU A 7 1.058 0.425 -5.878 1.00 34.21 H new ATOM 0 HB3 LEU A 7 1.671 1.579 -7.046 1.00 34.21 H new ATOM 0 HG LEU A 7 -0.215 -0.659 -7.807 1.00 51.31 H new ATOM 0 HD11 LEU A 7 -2.027 1.005 -7.689 1.00 3.13 H new ATOM 0 HD12 LEU A 7 -1.294 0.712 -6.095 1.00 3.13 H new ATOM 0 HD13 LEU A 7 -0.889 2.188 -7.002 1.00 3.13 H new ATOM 0 HD21 LEU A 7 -0.676 0.797 -9.743 1.00 42.42 H new ATOM 0 HD22 LEU A 7 0.517 1.971 -9.138 1.00 42.42 H new ATOM 0 HD23 LEU A 7 1.044 0.349 -9.648 1.00 42.42 H new ATOM 107 N ASN A 8 4.738 -0.720 -6.528 1.00 43.34 N ATOM 108 CA ASN A 8 6.049 -0.311 -6.038 1.00 11.12 C ATOM 109 C ASN A 8 6.700 0.684 -6.995 1.00 65.15 C ATOM 110 O ASN A 8 7.155 1.751 -6.581 1.00 52.42 O ATOM 111 CB ASN A 8 6.954 -1.531 -5.861 1.00 1.35 C ATOM 112 CG ASN A 8 8.395 -1.148 -5.584 1.00 31.33 C ATOM 113 OD1 ASN A 8 8.723 -0.668 -4.499 1.00 65.44 O ATOM 114 ND2 ASN A 8 9.263 -1.356 -6.567 1.00 73.10 N ATOM 0 H ASN A 8 4.635 -1.725 -6.668 1.00 43.34 H new ATOM 0 HA ASN A 8 5.913 0.175 -5.072 1.00 11.12 H new ATOM 0 HB2 ASN A 8 6.579 -2.142 -5.040 1.00 1.35 H new ATOM 0 HB3 ASN A 8 6.911 -2.145 -6.760 1.00 1.35 H new ATOM 0 HD21 ASN A 8 10.246 -1.115 -6.439 1.00 73.10 H new ATOM 0 HD22 ASN A 8 8.947 -1.756 -7.450 1.00 73.10 H new ATOM 121 N ASN A 9 6.740 0.328 -8.274 1.00 34.45 N ATOM 122 CA ASN A 9 7.335 1.190 -9.289 1.00 74.32 C ATOM 123 C ASN A 9 6.508 2.458 -9.478 1.00 32.03 C ATOM 124 O ASN A 9 7.053 3.540 -9.702 1.00 74.42 O ATOM 125 CB ASN A 9 7.452 0.441 -10.618 1.00 34.44 C ATOM 126 CG ASN A 9 8.452 -0.698 -10.555 1.00 73.40 C ATOM 127 OD1 ASN A 9 9.656 -0.474 -10.434 1.00 64.12 O ATOM 128 ND2 ASN A 9 7.955 -1.926 -10.636 1.00 55.21 N ATOM 0 H ASN A 9 6.368 -0.551 -8.633 1.00 34.45 H new ATOM 0 HA ASN A 9 8.331 1.474 -8.951 1.00 74.32 H new ATOM 0 HB2 ASN A 9 6.475 0.047 -10.897 1.00 34.44 H new ATOM 0 HB3 ASN A 9 7.750 1.139 -11.400 1.00 34.44 H new ATOM 0 HD21 ASN A 9 8.579 -2.732 -10.599 1.00 55.21 H new ATOM 0 HD22 ASN A 9 6.949 -2.064 -10.736 1.00 55.21 H new ATOM 135 N THR A 10 5.189 2.318 -9.387 1.00 34.03 N ATOM 136 CA THR A 10 4.287 3.451 -9.549 1.00 65.51 C ATOM 137 C THR A 10 4.572 4.532 -8.513 1.00 5.14 C ATOM 138 O THR A 10 4.669 5.714 -8.844 1.00 33.21 O ATOM 139 CB THR A 10 2.814 3.017 -9.429 1.00 31.43 C ATOM 140 OG1 THR A 10 2.456 2.189 -10.540 1.00 73.34 O ATOM 141 CG2 THR A 10 1.895 4.230 -9.377 1.00 0.42 C ATOM 0 H THR A 10 4.722 1.430 -9.202 1.00 34.03 H new ATOM 0 HA THR A 10 4.460 3.853 -10.547 1.00 65.51 H new ATOM 0 HB THR A 10 2.698 2.453 -8.504 1.00 31.43 H new ATOM 0 HG1 THR A 10 1.969 2.723 -11.202 1.00 73.34 H new ATOM 0 HG21 THR A 10 0.860 3.899 -9.292 1.00 0.42 H new ATOM 0 HG22 THR A 10 2.151 4.844 -8.514 1.00 0.42 H new ATOM 0 HG23 THR A 10 2.015 4.817 -10.288 1.00 0.42 H new ATOM 149 N LYS A 11 4.706 4.122 -7.257 1.00 45.33 N ATOM 150 CA LYS A 11 4.983 5.055 -6.171 1.00 30.24 C ATOM 151 C LYS A 11 6.232 5.880 -6.467 1.00 50.21 C ATOM 152 O LYS A 11 6.303 7.060 -6.128 1.00 21.13 O ATOM 153 CB LYS A 11 5.159 4.298 -4.852 1.00 2.12 C ATOM 154 CG LYS A 11 3.870 3.698 -4.319 1.00 31.30 C ATOM 155 CD LYS A 11 3.747 3.888 -2.816 1.00 63.41 C ATOM 156 CE LYS A 11 4.199 2.649 -2.058 1.00 75.10 C ATOM 157 NZ LYS A 11 5.681 2.581 -1.939 1.00 33.14 N1+ ATOM 0 H LYS A 11 4.627 3.148 -6.965 1.00 45.33 H new ATOM 0 HA LYS A 11 4.134 5.733 -6.083 1.00 30.24 H new ATOM 0 HB2 LYS A 11 5.889 3.501 -4.995 1.00 2.12 H new ATOM 0 HB3 LYS A 11 5.570 4.977 -4.105 1.00 2.12 H new ATOM 0 HG2 LYS A 11 3.018 4.162 -4.816 1.00 31.30 H new ATOM 0 HG3 LYS A 11 3.837 2.635 -4.556 1.00 31.30 H new ATOM 0 HD2 LYS A 11 4.347 4.744 -2.506 1.00 63.41 H new ATOM 0 HD3 LYS A 11 2.712 4.115 -2.560 1.00 63.41 H new ATOM 0 HE2 LYS A 11 3.755 2.650 -1.063 1.00 75.10 H new ATOM 0 HE3 LYS A 11 3.835 1.758 -2.569 1.00 75.10 H new ATOM 0 HZ1 LYS A 11 5.948 1.723 -1.416 1.00 33.14 H new ATOM 0 HZ2 LYS A 11 6.105 2.554 -2.888 1.00 33.14 H new ATOM 0 HZ3 LYS A 11 6.027 3.419 -1.429 1.00 33.14 H new ATOM 171 N LYS A 12 7.214 5.249 -7.103 1.00 70.10 N ATOM 172 CA LYS A 12 8.459 5.925 -7.448 1.00 21.01 C ATOM 173 C LYS A 12 8.232 6.959 -8.545 1.00 11.34 C ATOM 174 O LYS A 12 8.911 7.984 -8.597 1.00 75.32 O ATOM 175 CB LYS A 12 9.507 4.906 -7.902 1.00 41.05 C ATOM 176 CG LYS A 12 10.228 4.222 -6.753 1.00 64.14 C ATOM 177 CD LYS A 12 11.162 3.132 -7.249 1.00 14.41 C ATOM 178 CE LYS A 12 12.601 3.399 -6.837 1.00 52.34 C ATOM 179 NZ LYS A 12 12.782 3.304 -5.362 1.00 72.23 N1+ ATOM 0 H LYS A 12 7.171 4.271 -7.390 1.00 70.10 H new ATOM 0 HA LYS A 12 8.822 6.440 -6.558 1.00 21.01 H new ATOM 0 HB2 LYS A 12 9.022 4.149 -8.518 1.00 41.05 H new ATOM 0 HB3 LYS A 12 10.241 5.408 -8.533 1.00 41.05 H new ATOM 0 HG2 LYS A 12 10.797 4.961 -6.189 1.00 64.14 H new ATOM 0 HG3 LYS A 12 9.497 3.792 -6.068 1.00 64.14 H new ATOM 0 HD2 LYS A 12 10.842 2.169 -6.852 1.00 14.41 H new ATOM 0 HD3 LYS A 12 11.100 3.065 -8.335 1.00 14.41 H new ATOM 0 HE2 LYS A 12 13.259 2.684 -7.330 1.00 52.34 H new ATOM 0 HE3 LYS A 12 12.898 4.391 -7.176 1.00 52.34 H new ATOM 0 HZ1 LYS A 12 13.796 3.340 -5.134 1.00 72.23 H new ATOM 0 HZ2 LYS A 12 12.294 4.098 -4.901 1.00 72.23 H new ATOM 0 HZ3 LYS A 12 12.382 2.407 -5.020 1.00 72.23 H new ATOM 193 N VAL A 13 7.271 6.683 -9.422 1.00 1.31 N ATOM 194 CA VAL A 13 6.953 7.590 -10.518 1.00 11.13 C ATOM 195 C VAL A 13 6.336 8.884 -9.999 1.00 52.20 C ATOM 196 O VAL A 13 6.666 9.973 -10.468 1.00 52.14 O ATOM 197 CB VAL A 13 5.982 6.939 -11.522 1.00 22.25 C ATOM 198 CG1 VAL A 13 5.681 7.891 -12.669 1.00 23.15 C ATOM 199 CG2 VAL A 13 6.555 5.629 -12.042 1.00 14.24 C ATOM 0 H VAL A 13 6.700 5.838 -9.394 1.00 1.31 H new ATOM 0 HA VAL A 13 7.892 7.815 -11.025 1.00 11.13 H new ATOM 0 HB VAL A 13 5.046 6.722 -11.008 1.00 22.25 H new ATOM 0 HG11 VAL A 13 4.994 7.413 -13.367 1.00 23.15 H new ATOM 0 HG12 VAL A 13 5.226 8.801 -12.277 1.00 23.15 H new ATOM 0 HG13 VAL A 13 6.607 8.142 -13.186 1.00 23.15 H new ATOM 0 HG21 VAL A 13 5.857 5.182 -12.750 1.00 14.24 H new ATOM 0 HG22 VAL A 13 7.505 5.820 -12.541 1.00 14.24 H new ATOM 0 HG23 VAL A 13 6.714 4.945 -11.208 1.00 14.24 H new ATOM 209 N ALA A 14 5.439 8.757 -9.027 1.00 42.13 N ATOM 210 CA ALA A 14 4.778 9.916 -8.441 1.00 63.43 C ATOM 211 C ALA A 14 5.744 10.721 -7.579 1.00 30.45 C ATOM 212 O ALA A 14 5.699 11.951 -7.565 1.00 44.03 O ATOM 213 CB ALA A 14 3.574 9.478 -7.619 1.00 43.02 C ATOM 0 H ALA A 14 5.153 7.863 -8.629 1.00 42.13 H new ATOM 0 HA ALA A 14 4.436 10.557 -9.253 1.00 63.43 H new ATOM 0 HB1 ALA A 14 3.090 10.354 -7.187 1.00 43.02 H new ATOM 0 HB2 ALA A 14 2.867 8.952 -8.261 1.00 43.02 H new ATOM 0 HB3 ALA A 14 3.902 8.814 -6.819 1.00 43.02 H new ATOM 219 N ASN A 15 6.616 10.021 -6.862 1.00 53.23 N ATOM 220 CA ASN A 15 7.593 10.672 -5.997 1.00 62.41 C ATOM 221 C ASN A 15 8.622 11.441 -6.820 1.00 65.13 C ATOM 222 O ASN A 15 9.260 12.369 -6.324 1.00 21.41 O ATOM 223 CB ASN A 15 8.296 9.637 -5.117 1.00 43.32 C ATOM 224 CG ASN A 15 9.423 10.241 -4.300 1.00 55.15 C ATOM 225 OD1 ASN A 15 9.298 11.348 -3.775 1.00 43.32 O ATOM 226 ND2 ASN A 15 10.529 9.515 -4.189 1.00 14.34 N ATOM 0 H ASN A 15 6.666 9.002 -6.863 1.00 53.23 H new ATOM 0 HA ASN A 15 7.062 11.380 -5.360 1.00 62.41 H new ATOM 0 HB2 ASN A 15 7.568 9.181 -4.446 1.00 43.32 H new ATOM 0 HB3 ASN A 15 8.693 8.840 -5.745 1.00 43.32 H new ATOM 0 HD21 ASN A 15 11.320 9.870 -3.651 1.00 14.34 H new ATOM 0 HD22 ASN A 15 10.588 8.603 -4.641 1.00 14.34 H new ATOM 233 N ALA A 16 8.779 11.047 -8.079 1.00 55.04 N ATOM 234 CA ALA A 16 9.728 11.699 -8.972 1.00 35.42 C ATOM 235 C ALA A 16 9.394 13.178 -9.141 1.00 74.12 C ATOM 236 O ALA A 16 10.287 14.022 -9.214 1.00 43.03 O ATOM 237 CB ALA A 16 9.746 11.002 -10.323 1.00 15.14 C ATOM 0 H ALA A 16 8.260 10.278 -8.504 1.00 55.04 H new ATOM 0 HA ALA A 16 10.720 11.626 -8.525 1.00 35.42 H new ATOM 0 HB1 ALA A 16 10.459 11.500 -10.980 1.00 15.14 H new ATOM 0 HB2 ALA A 16 10.040 9.961 -10.191 1.00 15.14 H new ATOM 0 HB3 ALA A 16 8.752 11.045 -10.768 1.00 15.14 H new ATOM 243 N PHE A 17 8.102 13.485 -9.205 1.00 64.01 N ATOM 244 CA PHE A 17 7.651 14.863 -9.368 1.00 53.45 C ATOM 245 C PHE A 17 8.281 15.769 -8.315 1.00 23.32 C ATOM 246 O PHE A 17 8.490 16.958 -8.549 1.00 11.13 O ATOM 247 CB PHE A 17 6.126 14.936 -9.274 1.00 53.02 C ATOM 248 CG PHE A 17 5.421 14.211 -10.386 1.00 45.24 C ATOM 249 CD1 PHE A 17 5.879 14.302 -11.690 1.00 71.34 C ATOM 250 CD2 PHE A 17 4.301 13.438 -10.125 1.00 21.22 C ATOM 251 CE1 PHE A 17 5.233 13.637 -12.714 1.00 52.45 C ATOM 252 CE2 PHE A 17 3.651 12.769 -11.145 1.00 31.13 C ATOM 253 CZ PHE A 17 4.117 12.870 -12.442 1.00 65.22 C ATOM 0 H PHE A 17 7.350 12.799 -9.147 1.00 64.01 H new ATOM 0 HA PHE A 17 7.965 15.208 -10.353 1.00 53.45 H new ATOM 0 HB2 PHE A 17 5.808 14.517 -8.319 1.00 53.02 H new ATOM 0 HB3 PHE A 17 5.819 15.982 -9.281 1.00 53.02 H new ATOM 0 HD1 PHE A 17 6.751 14.900 -11.909 1.00 71.34 H new ATOM 0 HD2 PHE A 17 3.932 13.357 -9.113 1.00 21.22 H new ATOM 0 HE1 PHE A 17 5.600 13.717 -13.726 1.00 52.45 H new ATOM 0 HE2 PHE A 17 2.780 12.168 -10.929 1.00 31.13 H new ATOM 0 HZ PHE A 17 3.610 12.350 -13.241 1.00 65.22 H new ATOM 263 N GLY A 18 8.582 15.197 -7.152 1.00 35.34 N ATOM 264 CA GLY A 18 9.183 15.968 -6.080 1.00 41.31 C ATOM 265 C GLY A 18 8.153 16.525 -5.119 1.00 61.32 C ATOM 266 O GLY A 18 7.524 17.547 -5.395 1.00 33.02 O ATOM 0 H GLY A 18 8.420 14.214 -6.934 1.00 35.34 H new ATOM 0 HA2 GLY A 18 9.883 15.338 -5.532 1.00 41.31 H new ATOM 0 HA3 GLY A 18 9.759 16.789 -6.506 1.00 41.31 H new ATOM 270 N LEU A 19 7.980 15.854 -3.986 1.00 53.12 N ATOM 271 CA LEU A 19 7.017 16.288 -2.980 1.00 64.53 C ATOM 272 C LEU A 19 7.552 16.043 -1.572 1.00 43.23 C ATOM 273 O LEU A 19 7.962 16.975 -0.882 1.00 12.44 O ATOM 274 CB LEU A 19 5.688 15.554 -3.167 1.00 72.34 C ATOM 275 CG LEU A 19 4.934 15.851 -4.463 1.00 21.33 C ATOM 276 CD1 LEU A 19 4.301 14.583 -5.015 1.00 71.33 C ATOM 277 CD2 LEU A 19 3.877 16.921 -4.233 1.00 10.11 C ATOM 0 H LEU A 19 8.494 15.008 -3.741 1.00 53.12 H new ATOM 0 HA LEU A 19 6.855 17.358 -3.106 1.00 64.53 H new ATOM 0 HB2 LEU A 19 5.878 14.482 -3.118 1.00 72.34 H new ATOM 0 HB3 LEU A 19 5.038 15.801 -2.327 1.00 72.34 H new ATOM 0 HG LEU A 19 5.647 16.226 -5.197 1.00 21.33 H new ATOM 0 HD11 LEU A 19 3.769 14.814 -5.938 1.00 71.33 H new ATOM 0 HD12 LEU A 19 5.079 13.847 -5.219 1.00 71.33 H new ATOM 0 HD13 LEU A 19 3.601 14.178 -4.284 1.00 71.33 H new ATOM 0 HD21 LEU A 19 3.351 17.119 -5.167 1.00 10.11 H new ATOM 0 HD22 LEU A 19 3.166 16.575 -3.482 1.00 10.11 H new ATOM 0 HD23 LEU A 19 4.356 17.836 -3.885 1.00 10.11 H new ATOM 289 N ASN A 20 7.546 14.781 -1.154 1.00 63.13 N ATOM 290 CA ASN A 20 8.034 14.413 0.171 1.00 14.33 C ATOM 291 C ASN A 20 7.927 12.907 0.390 1.00 21.42 C ATOM 292 O ASN A 20 8.929 12.194 0.365 1.00 10.24 O ATOM 293 CB ASN A 20 7.244 15.155 1.251 1.00 54.03 C ATOM 294 CG ASN A 20 7.440 14.550 2.628 1.00 50.30 C ATOM 295 OD1 ASN A 20 6.490 14.075 3.251 1.00 11.52 O ATOM 296 ND2 ASN A 20 8.678 14.564 3.110 1.00 60.53 N ATOM 0 H ASN A 20 7.209 13.997 -1.713 1.00 63.13 H new ATOM 0 HA ASN A 20 9.084 14.698 0.238 1.00 14.33 H new ATOM 0 HB2 ASN A 20 7.552 16.200 1.269 1.00 54.03 H new ATOM 0 HB3 ASN A 20 6.184 15.139 0.998 1.00 54.03 H new ATOM 0 HD21 ASN A 20 8.871 14.171 4.031 1.00 60.53 H new ATOM 0 HD22 ASN A 20 9.435 14.968 2.559 1.00 60.53 H new ATOM 303 N GLU A 21 6.704 12.432 0.605 1.00 54.44 N ATOM 304 CA GLU A 21 6.467 11.010 0.829 1.00 71.32 C ATOM 305 C GLU A 21 4.976 10.725 0.984 1.00 11.52 C ATOM 306 O GLU A 21 4.458 9.755 0.430 1.00 32.43 O ATOM 307 CB GLU A 21 7.221 10.534 2.073 1.00 73.02 C ATOM 308 CG GLU A 21 8.243 9.447 1.787 1.00 32.21 C ATOM 309 CD GLU A 21 9.544 9.658 2.535 1.00 23.34 C ATOM 310 OE1 GLU A 21 9.528 9.596 3.782 1.00 43.31 O ATOM 311 OE2 GLU A 21 10.579 9.887 1.875 1.00 14.54 O1- ATOM 0 H GLU A 21 5.864 13.009 0.629 1.00 54.44 H new ATOM 0 HA GLU A 21 6.835 10.465 -0.040 1.00 71.32 H new ATOM 0 HB2 GLU A 21 7.727 11.385 2.529 1.00 73.02 H new ATOM 0 HB3 GLU A 21 6.502 10.162 2.803 1.00 73.02 H new ATOM 0 HG2 GLU A 21 7.824 8.479 2.061 1.00 32.21 H new ATOM 0 HG3 GLU A 21 8.445 9.416 0.716 1.00 32.21 H new ATOM 318 N GLU A 22 4.292 11.577 1.742 1.00 1.41 N ATOM 319 CA GLU A 22 2.862 11.415 1.971 1.00 73.33 C ATOM 320 C GLU A 22 2.069 11.731 0.706 1.00 62.33 C ATOM 321 O GLU A 22 1.084 11.061 0.395 1.00 0.42 O ATOM 322 CB GLU A 22 2.400 12.321 3.115 1.00 25.00 C ATOM 323 CG GLU A 22 2.980 11.939 4.466 1.00 31.01 C ATOM 324 CD GLU A 22 2.118 10.937 5.209 1.00 11.23 C ATOM 325 OE1 GLU A 22 1.009 11.312 5.640 1.00 73.12 O1- ATOM 326 OE2 GLU A 22 2.554 9.775 5.357 1.00 63.32 O ATOM 0 H GLU A 22 4.705 12.385 2.207 1.00 1.41 H new ATOM 0 HA GLU A 22 2.679 10.376 2.244 1.00 73.33 H new ATOM 0 HB2 GLU A 22 2.678 13.350 2.887 1.00 25.00 H new ATOM 0 HB3 GLU A 22 1.312 12.291 3.174 1.00 25.00 H new ATOM 0 HG2 GLU A 22 3.976 11.521 4.324 1.00 31.01 H new ATOM 0 HG3 GLU A 22 3.095 12.836 5.075 1.00 31.01 H new ATOM 333 N ASP A 23 2.505 12.756 -0.017 1.00 11.43 N ATOM 334 CA ASP A 23 1.838 13.161 -1.249 1.00 30.33 C ATOM 335 C ASP A 23 1.833 12.023 -2.265 1.00 74.45 C ATOM 336 O ASP A 23 0.847 11.809 -2.971 1.00 31.51 O ATOM 337 CB ASP A 23 2.525 14.391 -1.846 1.00 51.33 C ATOM 338 CG ASP A 23 2.234 15.655 -1.061 1.00 55.54 C ATOM 339 OD1 ASP A 23 1.048 16.031 -0.962 1.00 71.14 O1- ATOM 340 OD2 ASP A 23 3.193 16.267 -0.546 1.00 31.22 O ATOM 0 H ASP A 23 3.317 13.322 0.228 1.00 11.43 H new ATOM 0 HA ASP A 23 0.805 13.412 -1.007 1.00 30.33 H new ATOM 0 HB2 ASP A 23 3.602 14.224 -1.874 1.00 51.33 H new ATOM 0 HB3 ASP A 23 2.196 14.523 -2.877 1.00 51.33 H new ATOM 345 N THR A 24 2.943 11.294 -2.335 1.00 52.45 N ATOM 346 CA THR A 24 3.067 10.179 -3.265 1.00 45.44 C ATOM 347 C THR A 24 2.066 9.078 -2.941 1.00 54.33 C ATOM 348 O THR A 24 1.367 8.581 -3.824 1.00 73.13 O ATOM 349 CB THR A 24 4.489 9.587 -3.244 1.00 1.35 C ATOM 350 OG1 THR A 24 5.442 10.587 -3.622 1.00 42.32 O ATOM 351 CG2 THR A 24 4.593 8.397 -4.187 1.00 4.20 C ATOM 0 H THR A 24 3.769 11.456 -1.758 1.00 52.45 H new ATOM 0 HA THR A 24 2.859 10.573 -4.260 1.00 45.44 H new ATOM 0 HB THR A 24 4.703 9.247 -2.231 1.00 1.35 H new ATOM 0 HG1 THR A 24 6.296 10.410 -3.176 1.00 42.32 H new ATOM 0 HG21 THR A 24 5.606 7.995 -4.156 1.00 4.20 H new ATOM 0 HG22 THR A 24 3.887 7.626 -3.879 1.00 4.20 H new ATOM 0 HG23 THR A 24 4.361 8.716 -5.203 1.00 4.20 H new ATOM 359 N ASN A 25 1.999 8.700 -1.668 1.00 44.22 N ATOM 360 CA ASN A 25 1.082 7.656 -1.227 1.00 55.12 C ATOM 361 C ASN A 25 -0.367 8.124 -1.335 1.00 10.30 C ATOM 362 O ASN A 25 -1.256 7.349 -1.691 1.00 30.22 O ATOM 363 CB ASN A 25 1.392 7.250 0.215 1.00 61.12 C ATOM 364 CG ASN A 25 0.685 5.972 0.622 1.00 13.53 C ATOM 365 OD1 ASN A 25 0.355 5.137 -0.221 1.00 54.11 O ATOM 366 ND2 ASN A 25 0.447 5.813 1.918 1.00 23.21 N ATOM 0 H ASN A 25 2.569 9.102 -0.924 1.00 44.22 H new ATOM 0 HA ASN A 25 1.216 6.791 -1.877 1.00 55.12 H new ATOM 0 HB2 ASN A 25 2.468 7.118 0.329 1.00 61.12 H new ATOM 0 HB3 ASN A 25 1.096 8.055 0.888 1.00 61.12 H new ATOM 0 HD21 ASN A 25 -0.027 4.973 2.250 1.00 23.21 H new ATOM 0 HD22 ASN A 25 0.738 6.531 2.582 1.00 23.21 H new ATOM 373 N LEU A 26 -0.596 9.394 -1.024 1.00 35.14 N ATOM 374 CA LEU A 26 -1.937 9.967 -1.088 1.00 44.35 C ATOM 375 C LEU A 26 -2.435 10.031 -2.527 1.00 31.14 C ATOM 376 O LEU A 26 -3.590 9.713 -2.811 1.00 15.24 O ATOM 377 CB LEU A 26 -1.944 11.367 -0.470 1.00 12.35 C ATOM 378 CG LEU A 26 -3.265 11.819 0.152 1.00 14.13 C ATOM 379 CD1 LEU A 26 -4.353 11.903 -0.908 1.00 35.20 C ATOM 380 CD2 LEU A 26 -3.680 10.874 1.270 1.00 13.52 C ATOM 0 H LEU A 26 0.128 10.047 -0.725 1.00 35.14 H new ATOM 0 HA LEU A 26 -2.608 9.322 -0.521 1.00 44.35 H new ATOM 0 HB2 LEU A 26 -1.171 11.407 0.298 1.00 12.35 H new ATOM 0 HB3 LEU A 26 -1.664 12.084 -1.242 1.00 12.35 H new ATOM 0 HG LEU A 26 -3.122 12.812 0.577 1.00 14.13 H new ATOM 0 HD11 LEU A 26 -5.286 12.226 -0.447 1.00 35.20 H new ATOM 0 HD12 LEU A 26 -4.060 12.620 -1.675 1.00 35.20 H new ATOM 0 HD13 LEU A 26 -4.494 10.923 -1.363 1.00 35.20 H new ATOM 0 HD21 LEU A 26 -4.623 11.212 1.701 1.00 13.52 H new ATOM 0 HD22 LEU A 26 -3.804 9.868 0.869 1.00 13.52 H new ATOM 0 HD23 LEU A 26 -2.911 10.864 2.042 1.00 13.52 H new ATOM 392 N LEU A 27 -1.555 10.442 -3.435 1.00 62.21 N ATOM 393 CA LEU A 27 -1.905 10.547 -4.847 1.00 42.40 C ATOM 394 C LEU A 27 -2.115 9.165 -5.459 1.00 53.11 C ATOM 395 O LEU A 27 -3.114 8.921 -6.136 1.00 52.21 O ATOM 396 CB LEU A 27 -0.808 11.293 -5.610 1.00 74.34 C ATOM 397 CG LEU A 27 -0.955 11.327 -7.132 1.00 44.23 C ATOM 398 CD1 LEU A 27 -1.321 12.726 -7.601 1.00 34.02 C ATOM 399 CD2 LEU A 27 0.329 10.857 -7.801 1.00 73.12 C ATOM 0 H LEU A 27 -0.594 10.708 -3.218 1.00 62.21 H new ATOM 0 HA LEU A 27 -2.838 11.105 -4.925 1.00 42.40 H new ATOM 0 HB2 LEU A 27 -0.773 12.320 -5.245 1.00 74.34 H new ATOM 0 HB3 LEU A 27 0.151 10.836 -5.368 1.00 74.34 H new ATOM 0 HG LEU A 27 -1.759 10.649 -7.416 1.00 44.23 H new ATOM 0 HD11 LEU A 27 -1.421 12.731 -8.686 1.00 34.02 H new ATOM 0 HD12 LEU A 27 -2.266 13.026 -7.148 1.00 34.02 H new ATOM 0 HD13 LEU A 27 -0.539 13.425 -7.306 1.00 34.02 H new ATOM 0 HD21 LEU A 27 0.207 10.887 -8.884 1.00 73.12 H new ATOM 0 HD22 LEU A 27 1.151 11.511 -7.510 1.00 73.12 H new ATOM 0 HD23 LEU A 27 0.549 9.836 -7.489 1.00 73.12 H new ATOM 411 N ILE A 28 -1.169 8.264 -5.214 1.00 32.12 N ATOM 412 CA ILE A 28 -1.253 6.907 -5.738 1.00 34.30 C ATOM 413 C ILE A 28 -2.509 6.201 -5.236 1.00 45.11 C ATOM 414 O ILE A 28 -3.058 5.334 -5.914 1.00 3.31 O ATOM 415 CB ILE A 28 -0.018 6.075 -5.346 1.00 32.22 C ATOM 416 CG1 ILE A 28 0.426 5.197 -6.518 1.00 35.21 C ATOM 417 CG2 ILE A 28 -0.320 5.221 -4.124 1.00 72.14 C ATOM 418 CD1 ILE A 28 -0.666 4.291 -7.042 1.00 32.03 C ATOM 0 H ILE A 28 -0.336 8.450 -4.656 1.00 32.12 H new ATOM 0 HA ILE A 28 -1.295 6.990 -6.824 1.00 34.30 H new ATOM 0 HB ILE A 28 0.796 6.756 -5.097 1.00 32.22 H new ATOM 0 HG12 ILE A 28 0.776 5.837 -7.328 1.00 35.21 H new ATOM 0 HG13 ILE A 28 1.273 4.587 -6.204 1.00 35.21 H new ATOM 0 HG21 ILE A 28 0.563 4.639 -3.860 1.00 72.14 H new ATOM 0 HG22 ILE A 28 -0.593 5.865 -3.288 1.00 72.14 H new ATOM 0 HG23 ILE A 28 -1.146 4.546 -4.347 1.00 72.14 H new ATOM 0 HD11 ILE A 28 -0.280 3.698 -7.871 1.00 32.03 H new ATOM 0 HD12 ILE A 28 -1.001 3.626 -6.246 1.00 32.03 H new ATOM 0 HD13 ILE A 28 -1.505 4.895 -7.387 1.00 32.03 H new ATOM 430 N ASN A 29 -2.957 6.580 -4.044 1.00 34.11 N ATOM 431 CA ASN A 29 -4.149 5.983 -3.452 1.00 64.33 C ATOM 432 C ASN A 29 -5.392 6.328 -4.266 1.00 32.22 C ATOM 433 O ASN A 29 -6.231 5.467 -4.531 1.00 43.40 O ATOM 434 CB ASN A 29 -4.321 6.464 -2.009 1.00 31.44 C ATOM 435 CG ASN A 29 -4.205 5.334 -1.005 1.00 52.21 C ATOM 436 OD1 ASN A 29 -5.177 4.979 -0.338 1.00 74.22 O ATOM 437 ND2 ASN A 29 -3.012 4.763 -0.892 1.00 14.43 N ATOM 0 H ASN A 29 -2.514 7.297 -3.469 1.00 34.11 H new ATOM 0 HA ASN A 29 -4.023 4.900 -3.456 1.00 64.33 H new ATOM 0 HB2 ASN A 29 -3.568 7.221 -1.789 1.00 31.44 H new ATOM 0 HB3 ASN A 29 -5.294 6.943 -1.902 1.00 31.44 H new ATOM 0 HD21 ASN A 29 -2.873 3.998 -0.232 1.00 14.43 H new ATOM 0 HD22 ASN A 29 -2.234 5.090 -1.465 1.00 14.43 H new ATOM 444 N ALA A 30 -5.503 7.592 -4.660 1.00 24.33 N ATOM 445 CA ALA A 30 -6.642 8.050 -5.447 1.00 11.32 C ATOM 446 C ALA A 30 -6.682 7.360 -6.807 1.00 63.21 C ATOM 447 O ALA A 30 -7.755 7.050 -7.325 1.00 23.33 O ATOM 448 CB ALA A 30 -6.591 9.560 -5.620 1.00 1.13 C ATOM 0 H ALA A 30 -4.818 8.317 -4.447 1.00 24.33 H new ATOM 0 HA ALA A 30 -7.553 7.788 -4.909 1.00 11.32 H new ATOM 0 HB1 ALA A 30 -7.447 9.888 -6.209 1.00 1.13 H new ATOM 0 HB2 ALA A 30 -6.619 10.039 -4.642 1.00 1.13 H new ATOM 0 HB3 ALA A 30 -5.670 9.837 -6.133 1.00 1.13 H new ATOM 454 N VAL A 31 -5.506 7.123 -7.380 1.00 70.44 N ATOM 455 CA VAL A 31 -5.408 6.469 -8.680 1.00 31.51 C ATOM 456 C VAL A 31 -5.962 5.050 -8.625 1.00 43.52 C ATOM 457 O VAL A 31 -6.805 4.670 -9.436 1.00 2.31 O ATOM 458 CB VAL A 31 -3.950 6.422 -9.174 1.00 12.23 C ATOM 459 CG1 VAL A 31 -3.895 6.000 -10.634 1.00 15.21 C ATOM 460 CG2 VAL A 31 -3.276 7.770 -8.975 1.00 60.12 C ATOM 0 H VAL A 31 -4.609 7.374 -6.965 1.00 70.44 H new ATOM 0 HA VAL A 31 -6.002 7.059 -9.378 1.00 31.51 H new ATOM 0 HB VAL A 31 -3.409 5.681 -8.585 1.00 12.23 H new ATOM 0 HG11 VAL A 31 -2.857 5.972 -10.966 1.00 15.21 H new ATOM 0 HG12 VAL A 31 -4.338 5.010 -10.743 1.00 15.21 H new ATOM 0 HG13 VAL A 31 -4.451 6.715 -11.241 1.00 15.21 H new ATOM 0 HG21 VAL A 31 -2.247 7.718 -9.330 1.00 60.12 H new ATOM 0 HG22 VAL A 31 -3.815 8.533 -9.537 1.00 60.12 H new ATOM 0 HG23 VAL A 31 -3.282 8.027 -7.916 1.00 60.12 H new ATOM 470 N ASP A 32 -5.481 4.271 -7.662 1.00 55.22 N ATOM 471 CA ASP A 32 -5.929 2.892 -7.498 1.00 33.14 C ATOM 472 C ASP A 32 -7.392 2.843 -7.071 1.00 70.44 C ATOM 473 O ASP A 32 -8.157 1.991 -7.527 1.00 5.34 O ATOM 474 CB ASP A 32 -5.059 2.169 -6.470 1.00 24.43 C ATOM 475 CG ASP A 32 -5.733 0.931 -5.910 1.00 4.03 C ATOM 476 OD1 ASP A 32 -6.440 0.243 -6.675 1.00 31.05 O ATOM 477 OD2 ASP A 32 -5.550 0.650 -4.708 1.00 62.35 O1- ATOM 0 H ASP A 32 -4.781 4.571 -6.983 1.00 55.22 H new ATOM 0 HA ASP A 32 -5.834 2.388 -8.460 1.00 33.14 H new ATOM 0 HB2 ASP A 32 -4.113 1.887 -6.933 1.00 24.43 H new ATOM 0 HB3 ASP A 32 -4.823 2.852 -5.654 1.00 24.43 H new ATOM 482 N LEU A 33 -7.776 3.761 -6.191 1.00 74.44 N ATOM 483 CA LEU A 33 -9.149 3.822 -5.698 1.00 34.43 C ATOM 484 C LEU A 33 -10.133 3.997 -6.851 1.00 43.30 C ATOM 485 O LEU A 33 -11.183 3.355 -6.886 1.00 40.11 O ATOM 486 CB LEU A 33 -9.304 4.974 -4.703 1.00 40.05 C ATOM 487 CG LEU A 33 -9.311 4.584 -3.224 1.00 21.41 C ATOM 488 CD1 LEU A 33 -10.599 3.857 -2.870 1.00 51.30 C ATOM 489 CD2 LEU A 33 -8.101 3.724 -2.893 1.00 40.12 C ATOM 0 H LEU A 33 -7.157 4.473 -5.804 1.00 74.44 H new ATOM 0 HA LEU A 33 -9.370 2.881 -5.193 1.00 34.43 H new ATOM 0 HB2 LEU A 33 -8.492 5.682 -4.868 1.00 40.05 H new ATOM 0 HB3 LEU A 33 -10.234 5.497 -4.925 1.00 40.05 H new ATOM 0 HG LEU A 33 -9.257 5.495 -2.627 1.00 21.41 H new ATOM 0 HD11 LEU A 33 -10.586 3.587 -1.814 1.00 51.30 H new ATOM 0 HD12 LEU A 33 -11.450 4.508 -3.068 1.00 51.30 H new ATOM 0 HD13 LEU A 33 -10.685 2.954 -3.474 1.00 51.30 H new ATOM 0 HD21 LEU A 33 -8.123 3.456 -1.837 1.00 40.12 H new ATOM 0 HD22 LEU A 33 -8.123 2.817 -3.498 1.00 40.12 H new ATOM 0 HD23 LEU A 33 -7.189 4.281 -3.107 1.00 40.12 H new ATOM 501 N ASP A 34 -9.785 4.866 -7.793 1.00 30.11 N ATOM 502 CA ASP A 34 -10.636 5.122 -8.949 1.00 12.42 C ATOM 503 C ASP A 34 -10.818 3.855 -9.781 1.00 33.43 C ATOM 504 O ASP A 34 -11.935 3.511 -10.169 1.00 62.54 O ATOM 505 CB ASP A 34 -10.037 6.233 -9.814 1.00 53.44 C ATOM 506 CG ASP A 34 -10.796 7.539 -9.685 1.00 41.01 C ATOM 507 OD1 ASP A 34 -12.039 7.495 -9.568 1.00 13.44 O ATOM 508 OD2 ASP A 34 -10.146 8.605 -9.698 1.00 32.15 O1- ATOM 0 H ASP A 34 -8.919 5.405 -7.779 1.00 30.11 H new ATOM 0 HA ASP A 34 -11.613 5.441 -8.587 1.00 12.42 H new ATOM 0 HB2 ASP A 34 -8.997 6.391 -9.529 1.00 53.44 H new ATOM 0 HB3 ASP A 34 -10.037 5.917 -10.857 1.00 53.44 H new ATOM 513 N ILE A 35 -9.715 3.168 -10.051 1.00 2.12 N ATOM 514 CA ILE A 35 -9.753 1.940 -10.837 1.00 24.11 C ATOM 515 C ILE A 35 -10.489 0.833 -10.090 1.00 33.22 C ATOM 516 O ILE A 35 -11.263 0.079 -10.680 1.00 40.42 O ATOM 517 CB ILE A 35 -8.336 1.452 -11.189 1.00 43.54 C ATOM 518 CG1 ILE A 35 -7.604 2.503 -12.027 1.00 43.33 C ATOM 519 CG2 ILE A 35 -8.400 0.125 -11.931 1.00 75.44 C ATOM 520 CD1 ILE A 35 -6.200 2.789 -11.545 1.00 23.43 C ATOM 0 H ILE A 35 -8.783 3.440 -9.738 1.00 2.12 H new ATOM 0 HA ILE A 35 -10.287 2.171 -11.758 1.00 24.11 H new ATOM 0 HB ILE A 35 -7.780 1.301 -10.264 1.00 43.54 H new ATOM 0 HG12 ILE A 35 -7.562 2.166 -13.063 1.00 43.33 H new ATOM 0 HG13 ILE A 35 -8.179 3.429 -12.016 1.00 43.33 H new ATOM 0 HG21 ILE A 35 -7.390 -0.206 -12.172 1.00 75.44 H new ATOM 0 HG22 ILE A 35 -8.885 -0.621 -11.302 1.00 75.44 H new ATOM 0 HG23 ILE A 35 -8.971 0.250 -12.851 1.00 75.44 H new ATOM 0 HD11 ILE A 35 -5.742 3.543 -12.185 1.00 23.43 H new ATOM 0 HD12 ILE A 35 -6.235 3.157 -10.520 1.00 23.43 H new ATOM 0 HD13 ILE A 35 -5.609 1.874 -11.582 1.00 23.43 H new ATOM 532 N LYS A 36 -10.245 0.742 -8.787 1.00 21.05 N ATOM 533 CA LYS A 36 -10.886 -0.270 -7.957 1.00 70.12 C ATOM 534 C LYS A 36 -12.405 -0.181 -8.064 1.00 31.23 C ATOM 535 O LYS A 36 -13.096 -1.198 -8.089 1.00 72.11 O ATOM 536 CB LYS A 36 -10.458 -0.109 -6.497 1.00 22.43 C ATOM 537 CG LYS A 36 -9.560 -1.228 -5.999 1.00 43.20 C ATOM 538 CD LYS A 36 -9.571 -1.319 -4.482 1.00 62.43 C ATOM 539 CE LYS A 36 -8.558 -0.369 -3.860 1.00 64.24 C ATOM 540 NZ LYS A 36 -8.704 -0.296 -2.380 1.00 23.21 N1+ ATOM 0 H LYS A 36 -9.607 1.358 -8.283 1.00 21.05 H new ATOM 0 HA LYS A 36 -10.571 -1.250 -8.316 1.00 70.12 H new ATOM 0 HB2 LYS A 36 -9.937 0.842 -6.383 1.00 22.43 H new ATOM 0 HB3 LYS A 36 -11.348 -0.062 -5.869 1.00 22.43 H new ATOM 0 HG2 LYS A 36 -9.889 -2.176 -6.424 1.00 43.20 H new ATOM 0 HG3 LYS A 36 -8.541 -1.060 -6.347 1.00 43.20 H new ATOM 0 HD2 LYS A 36 -10.568 -1.084 -4.109 1.00 62.43 H new ATOM 0 HD3 LYS A 36 -9.349 -2.341 -4.176 1.00 62.43 H new ATOM 0 HE2 LYS A 36 -7.550 -0.699 -4.110 1.00 64.24 H new ATOM 0 HE3 LYS A 36 -8.683 0.626 -4.287 1.00 64.24 H new ATOM 0 HZ1 LYS A 36 -7.997 0.361 -1.993 1.00 23.21 H new ATOM 0 HZ2 LYS A 36 -9.658 0.043 -2.142 1.00 23.21 H new ATOM 0 HZ3 LYS A 36 -8.560 -1.241 -1.970 1.00 23.21 H new ATOM 554 N ASN A 37 -12.918 1.045 -8.130 1.00 45.45 N ATOM 555 CA ASN A 37 -14.356 1.267 -8.235 1.00 2.24 C ATOM 556 C ASN A 37 -14.899 0.693 -9.540 1.00 55.11 C ATOM 557 O ASN A 37 -16.026 0.201 -9.592 1.00 4.32 O ATOM 558 CB ASN A 37 -14.668 2.762 -8.153 1.00 32.21 C ATOM 559 CG ASN A 37 -14.791 3.249 -6.722 1.00 44.11 C ATOM 560 OD1 ASN A 37 -13.788 3.502 -6.053 1.00 22.44 O ATOM 561 ND2 ASN A 37 -16.023 3.382 -6.245 1.00 3.44 N ATOM 0 H ASN A 37 -12.359 1.898 -8.113 1.00 45.45 H new ATOM 0 HA ASN A 37 -14.841 0.755 -7.404 1.00 2.24 H new ATOM 0 HB2 ASN A 37 -13.882 3.323 -8.658 1.00 32.21 H new ATOM 0 HB3 ASN A 37 -15.597 2.966 -8.685 1.00 32.21 H new ATOM 0 HD21 ASN A 37 -16.167 3.705 -5.288 1.00 3.44 H new ATOM 0 HD22 ASN A 37 -16.825 3.161 -6.835 1.00 3.44 H new ATOM 568 N ASN A 38 -14.090 0.761 -10.593 1.00 61.14 N ATOM 569 CA ASN A 38 -14.491 0.247 -11.898 1.00 21.55 C ATOM 570 C ASN A 38 -14.200 -1.246 -12.009 1.00 22.20 C ATOM 571 O ASN A 38 -14.803 -1.947 -12.820 1.00 11.24 O ATOM 572 CB ASN A 38 -13.762 1.004 -13.012 1.00 65.15 C ATOM 573 CG ASN A 38 -14.686 1.923 -13.787 1.00 71.24 C ATOM 574 OD1 ASN A 38 -15.438 2.703 -13.201 1.00 50.34 O ATOM 575 ND2 ASN A 38 -14.634 1.835 -15.111 1.00 64.30 N ATOM 0 H ASN A 38 -13.154 1.166 -10.568 1.00 61.14 H new ATOM 0 HA ASN A 38 -15.565 0.398 -12.006 1.00 21.55 H new ATOM 0 HB2 ASN A 38 -12.951 1.590 -12.579 1.00 65.15 H new ATOM 0 HB3 ASN A 38 -13.308 0.288 -13.697 1.00 65.15 H new ATOM 0 HD21 ASN A 38 -15.233 2.428 -15.685 1.00 64.30 H new ATOM 0 HD22 ASN A 38 -13.995 1.174 -15.554 1.00 64.30 H new ATOM 582 N MET A 39 -13.273 -1.725 -11.186 1.00 51.04 N ATOM 583 CA MET A 39 -12.904 -3.136 -11.190 1.00 1.11 C ATOM 584 C MET A 39 -14.117 -4.016 -10.907 1.00 72.13 C ATOM 585 O MET A 39 -14.133 -5.196 -11.255 1.00 75.02 O ATOM 586 CB MET A 39 -11.813 -3.402 -10.151 1.00 41.43 C ATOM 587 CG MET A 39 -10.445 -2.882 -10.560 1.00 41.31 C ATOM 588 SD MET A 39 -9.445 -4.133 -11.389 1.00 51.43 S ATOM 589 CE MET A 39 -9.745 -3.725 -13.106 1.00 75.31 C ATOM 0 H MET A 39 -12.764 -1.157 -10.508 1.00 51.04 H new ATOM 0 HA MET A 39 -12.521 -3.383 -12.180 1.00 1.11 H new ATOM 0 HB2 MET A 39 -12.101 -2.939 -9.207 1.00 41.43 H new ATOM 0 HB3 MET A 39 -11.746 -4.475 -9.973 1.00 41.43 H new ATOM 0 HG2 MET A 39 -10.570 -2.025 -11.222 1.00 41.31 H new ATOM 0 HG3 MET A 39 -9.916 -2.527 -9.675 1.00 41.31 H new ATOM 0 HE1 MET A 39 -10.601 -4.293 -13.471 1.00 75.31 H new ATOM 0 HE2 MET A 39 -9.952 -2.659 -13.196 1.00 75.31 H new ATOM 0 HE3 MET A 39 -8.865 -3.975 -13.699 1.00 75.31 H new ATOM 1232 N LEU B 179 -10.548 7.525 -13.984 1.00 10.13 N ATOM 1233 CA LEU B 179 -9.516 8.315 -13.323 1.00 70.53 C ATOM 1234 C LEU B 179 -9.638 9.790 -13.692 1.00 21.01 C ATOM 1235 O LEU B 179 -8.639 10.503 -13.780 1.00 52.12 O ATOM 1236 CB LEU B 179 -8.128 7.796 -13.701 1.00 24.42 C ATOM 1237 CG LEU B 179 -7.763 6.408 -13.173 1.00 24.13 C ATOM 1238 CD1 LEU B 179 -6.580 5.839 -13.942 1.00 51.21 C ATOM 1239 CD2 LEU B 179 -7.455 6.467 -11.684 1.00 31.14 C ATOM 0 HA LEU B 179 -9.653 8.217 -12.246 1.00 70.53 H new ATOM 0 HB2 LEU B 179 -8.052 7.781 -14.788 1.00 24.42 H new ATOM 0 HB3 LEU B 179 -7.385 8.507 -13.339 1.00 24.42 H new ATOM 0 HG LEU B 179 -8.618 5.748 -13.320 1.00 24.13 H new ATOM 0 HD11 LEU B 179 -6.334 4.851 -13.553 1.00 51.21 H new ATOM 0 HD12 LEU B 179 -6.837 5.759 -14.998 1.00 51.21 H new ATOM 0 HD13 LEU B 179 -5.720 6.499 -13.827 1.00 51.21 H new ATOM 0 HD21 LEU B 179 -7.197 5.470 -11.326 1.00 31.14 H new ATOM 0 HD22 LEU B 179 -6.617 7.142 -11.512 1.00 31.14 H new ATOM 0 HD23 LEU B 179 -8.330 6.831 -11.146 1.00 31.14 H new ATOM 1251 N ASN B 180 -10.870 10.241 -13.906 1.00 15.20 N ATOM 1252 CA ASN B 180 -11.124 11.631 -14.265 1.00 60.34 C ATOM 1253 C ASN B 180 -10.547 12.577 -13.216 1.00 21.30 C ATOM 1254 O ASN B 180 -9.814 13.509 -13.543 1.00 4.11 O ATOM 1255 CB ASN B 180 -12.627 11.875 -14.416 1.00 4.30 C ATOM 1256 CG ASN B 180 -13.424 11.302 -13.261 1.00 54.52 C ATOM 1257 OD1 ASN B 180 -13.522 10.084 -13.103 1.00 11.13 O ATOM 1258 ND2 ASN B 180 -14.000 12.178 -12.446 1.00 10.15 N ATOM 0 H ASN B 180 -11.708 9.664 -13.837 1.00 15.20 H new ATOM 0 HA ASN B 180 -10.633 11.830 -15.218 1.00 60.34 H new ATOM 0 HB2 ASN B 180 -12.813 12.947 -14.486 1.00 4.30 H new ATOM 0 HB3 ASN B 180 -12.973 11.430 -15.349 1.00 4.30 H new ATOM 0 HD21 ASN B 180 -14.550 11.851 -11.652 1.00 10.15 H new ATOM 0 HD22 ASN B 180 -13.893 13.178 -12.614 1.00 10.15 H new ATOM 1265 N ASN B 181 -10.884 12.330 -11.955 1.00 60.22 N ATOM 1266 CA ASN B 181 -10.400 13.159 -10.856 1.00 35.34 C ATOM 1267 C ASN B 181 -8.908 12.939 -10.626 1.00 72.32 C ATOM 1268 O ASN B 181 -8.163 13.885 -10.365 1.00 41.22 O ATOM 1269 CB ASN B 181 -11.176 12.850 -9.576 1.00 74.51 C ATOM 1270 CG ASN B 181 -12.606 13.353 -9.631 1.00 53.42 C ATOM 1271 OD1 ASN B 181 -13.553 12.565 -9.636 1.00 63.34 O ATOM 1272 ND2 ASN B 181 -12.770 14.670 -9.673 1.00 34.05 N ATOM 0 H ASN B 181 -11.491 11.562 -11.668 1.00 60.22 H new ATOM 0 HA ASN B 181 -10.558 14.203 -11.125 1.00 35.34 H new ATOM 0 HB2 ASN B 181 -11.179 11.773 -9.407 1.00 74.51 H new ATOM 0 HB3 ASN B 181 -10.666 13.305 -8.727 1.00 74.51 H new ATOM 0 HD21 ASN B 181 -13.709 15.066 -9.711 1.00 34.05 H new ATOM 0 HD22 ASN B 181 -11.957 15.286 -9.667 1.00 34.05 H new ATOM 1279 N THR B 182 -8.477 11.685 -10.725 1.00 34.25 N ATOM 1280 CA THR B 182 -7.076 11.340 -10.527 1.00 20.23 C ATOM 1281 C THR B 182 -6.183 12.071 -11.524 1.00 12.02 C ATOM 1282 O THR B 182 -5.162 12.649 -11.152 1.00 1.22 O ATOM 1283 CB THR B 182 -6.845 9.823 -10.664 1.00 31.15 C ATOM 1284 OG1 THR B 182 -7.516 9.129 -9.607 1.00 54.10 O ATOM 1285 CG2 THR B 182 -5.360 9.496 -10.632 1.00 61.53 C ATOM 0 H THR B 182 -9.080 10.891 -10.941 1.00 34.25 H new ATOM 0 HA THR B 182 -6.815 11.649 -9.515 1.00 20.23 H new ATOM 0 HB THR B 182 -7.250 9.501 -11.623 1.00 31.15 H new ATOM 0 HG1 THR B 182 -8.388 8.814 -9.924 1.00 54.10 H new ATOM 0 HG21 THR B 182 -5.222 8.419 -10.730 1.00 61.53 H new ATOM 0 HG22 THR B 182 -4.858 10.003 -11.456 1.00 61.53 H new ATOM 0 HG23 THR B 182 -4.934 9.831 -9.686 1.00 61.53 H new ATOM 1293 N LYS B 183 -6.576 12.042 -12.794 1.00 64.02 N ATOM 1294 CA LYS B 183 -5.812 12.703 -13.846 1.00 53.43 C ATOM 1295 C LYS B 183 -5.597 14.176 -13.518 1.00 50.00 C ATOM 1296 O LYS B 183 -4.545 14.743 -13.817 1.00 54.14 O ATOM 1297 CB LYS B 183 -6.535 12.569 -15.189 1.00 2.31 C ATOM 1298 CG LYS B 183 -5.597 12.537 -16.383 1.00 42.20 C ATOM 1299 CD LYS B 183 -6.344 12.234 -17.671 1.00 55.40 C ATOM 1300 CE LYS B 183 -6.249 13.388 -18.656 1.00 45.24 C ATOM 1301 NZ LYS B 183 -5.011 13.313 -19.479 1.00 4.31 N1+ ATOM 0 H LYS B 183 -7.419 11.568 -13.119 1.00 64.02 H new ATOM 0 HA LYS B 183 -4.838 12.218 -13.914 1.00 53.43 H new ATOM 0 HB2 LYS B 183 -7.132 11.657 -15.182 1.00 2.31 H new ATOM 0 HB3 LYS B 183 -7.228 13.402 -15.304 1.00 2.31 H new ATOM 0 HG2 LYS B 183 -5.089 13.497 -16.473 1.00 42.20 H new ATOM 0 HG3 LYS B 183 -4.827 11.783 -16.222 1.00 42.20 H new ATOM 0 HD2 LYS B 183 -5.935 11.332 -18.126 1.00 55.40 H new ATOM 0 HD3 LYS B 183 -7.391 12.032 -17.446 1.00 55.40 H new ATOM 0 HE2 LYS B 183 -7.121 13.380 -19.310 1.00 45.24 H new ATOM 0 HE3 LYS B 183 -6.267 14.332 -18.112 1.00 45.24 H new ATOM 0 HZ1 LYS B 183 -4.983 14.117 -20.138 1.00 4.31 H new ATOM 0 HZ2 LYS B 183 -4.178 13.346 -18.857 1.00 4.31 H new ATOM 0 HZ3 LYS B 183 -5.006 12.423 -20.018 1.00 4.31 H new ATOM 1315 N LYS B 184 -6.598 14.793 -12.899 1.00 62.30 N ATOM 1316 CA LYS B 184 -6.518 16.200 -12.528 1.00 63.14 C ATOM 1317 C LYS B 184 -5.594 16.395 -11.329 1.00 43.32 C ATOM 1318 O LYS B 184 -4.920 17.418 -11.210 1.00 33.22 O ATOM 1319 CB LYS B 184 -7.911 16.744 -12.204 1.00 22.24 C ATOM 1320 CG LYS B 184 -8.142 18.161 -12.702 1.00 51.14 C ATOM 1321 CD LYS B 184 -8.440 18.185 -14.192 1.00 20.34 C ATOM 1322 CE LYS B 184 -8.239 19.576 -14.777 1.00 4.33 C ATOM 1323 NZ LYS B 184 -9.344 20.500 -14.403 1.00 34.34 N1+ ATOM 0 H LYS B 184 -7.475 14.339 -12.644 1.00 62.30 H new ATOM 0 HA LYS B 184 -6.108 16.750 -13.375 1.00 63.14 H new ATOM 0 HB2 LYS B 184 -8.660 16.086 -12.645 1.00 22.24 H new ATOM 0 HB3 LYS B 184 -8.060 16.718 -11.125 1.00 22.24 H new ATOM 0 HG2 LYS B 184 -8.973 18.609 -12.156 1.00 51.14 H new ATOM 0 HG3 LYS B 184 -7.261 18.769 -12.496 1.00 51.14 H new ATOM 0 HD2 LYS B 184 -7.791 17.476 -14.706 1.00 20.34 H new ATOM 0 HD3 LYS B 184 -9.466 17.861 -14.364 1.00 20.34 H new ATOM 0 HE2 LYS B 184 -7.291 19.984 -14.427 1.00 4.33 H new ATOM 0 HE3 LYS B 184 -8.175 19.507 -15.863 1.00 4.33 H new ATOM 0 HZ1 LYS B 184 -9.170 21.436 -14.821 1.00 34.34 H new ATOM 0 HZ2 LYS B 184 -10.246 20.124 -14.759 1.00 34.34 H new ATOM 0 HZ3 LYS B 184 -9.389 20.586 -13.368 1.00 34.34 H new ATOM 1337 N VAL B 185 -5.566 15.404 -10.442 1.00 32.41 N ATOM 1338 CA VAL B 185 -4.724 15.465 -9.254 1.00 2.53 C ATOM 1339 C VAL B 185 -3.246 15.397 -9.624 1.00 15.40 C ATOM 1340 O VAL B 185 -2.413 16.071 -9.021 1.00 65.24 O ATOM 1341 CB VAL B 185 -5.050 14.321 -8.276 1.00 60.04 C ATOM 1342 CG1 VAL B 185 -4.259 14.480 -6.985 1.00 35.10 C ATOM 1343 CG2 VAL B 185 -6.543 14.273 -7.993 1.00 55.34 C ATOM 0 H VAL B 185 -6.117 14.550 -10.525 1.00 32.41 H new ATOM 0 HA VAL B 185 -4.931 16.419 -8.768 1.00 2.53 H new ATOM 0 HB VAL B 185 -4.760 13.377 -8.738 1.00 60.04 H new ATOM 0 HG11 VAL B 185 -4.502 13.663 -6.306 1.00 35.10 H new ATOM 0 HG12 VAL B 185 -3.192 14.462 -7.207 1.00 35.10 H new ATOM 0 HG13 VAL B 185 -4.515 15.430 -6.516 1.00 35.10 H new ATOM 0 HG21 VAL B 185 -6.756 13.459 -7.300 1.00 55.34 H new ATOM 0 HG22 VAL B 185 -6.860 15.218 -7.551 1.00 55.34 H new ATOM 0 HG23 VAL B 185 -7.085 14.108 -8.924 1.00 55.34 H new ATOM 1353 N ALA B 186 -2.929 14.576 -10.621 1.00 22.34 N ATOM 1354 CA ALA B 186 -1.552 14.422 -11.074 1.00 14.32 C ATOM 1355 C ALA B 186 -1.074 15.668 -11.813 1.00 30.20 C ATOM 1356 O ALA B 186 0.124 15.940 -11.876 1.00 20.35 O ATOM 1357 CB ALA B 186 -1.426 13.196 -11.967 1.00 25.34 C ATOM 0 H ALA B 186 -3.607 14.008 -11.130 1.00 22.34 H new ATOM 0 HA ALA B 186 -0.919 14.287 -10.197 1.00 14.32 H new ATOM 0 HB1 ALA B 186 -0.393 13.092 -12.299 1.00 25.34 H new ATOM 0 HB2 ALA B 186 -1.719 12.307 -11.408 1.00 25.34 H new ATOM 0 HB3 ALA B 186 -2.076 13.309 -12.835 1.00 25.34 H new ATOM 1363 N ASN B 187 -2.018 16.420 -12.370 1.00 54.44 N ATOM 1364 CA ASN B 187 -1.692 17.635 -13.105 1.00 24.12 C ATOM 1365 C ASN B 187 -1.380 18.782 -12.148 1.00 24.24 C ATOM 1366 O ASN B 187 -0.696 19.738 -12.512 1.00 25.41 O ATOM 1367 CB ASN B 187 -2.850 18.026 -14.026 1.00 41.14 C ATOM 1368 CG ASN B 187 -2.752 19.463 -14.500 1.00 12.43 C ATOM 1369 OD1 ASN B 187 -2.059 19.761 -15.474 1.00 54.25 O ATOM 1370 ND2 ASN B 187 -3.447 20.362 -13.813 1.00 5.22 N ATOM 0 H ASN B 187 -3.015 16.209 -12.326 1.00 54.44 H new ATOM 0 HA ASN B 187 -0.807 17.437 -13.709 1.00 24.12 H new ATOM 0 HB2 ASN B 187 -2.864 17.362 -14.890 1.00 41.14 H new ATOM 0 HB3 ASN B 187 -3.794 17.884 -13.499 1.00 41.14 H new ATOM 0 HD21 ASN B 187 -3.420 21.344 -14.086 1.00 5.22 H new ATOM 0 HD22 ASN B 187 -4.008 20.070 -13.013 1.00 5.22 H new ATOM 1377 N ALA B 188 -1.884 18.678 -10.923 1.00 74.31 N ATOM 1378 CA ALA B 188 -1.657 19.704 -9.913 1.00 74.31 C ATOM 1379 C ALA B 188 -0.167 19.904 -9.659 1.00 3.20 C ATOM 1380 O ALA B 188 0.296 21.029 -9.471 1.00 14.35 O ATOM 1381 CB ALA B 188 -2.371 19.339 -8.620 1.00 2.45 C ATOM 0 H ALA B 188 -2.453 17.893 -10.606 1.00 74.31 H new ATOM 0 HA ALA B 188 -2.064 20.643 -10.287 1.00 74.31 H new ATOM 0 HB1 ALA B 188 -2.193 20.114 -7.875 1.00 2.45 H new ATOM 0 HB2 ALA B 188 -3.442 19.255 -8.807 1.00 2.45 H new ATOM 0 HB3 ALA B 188 -1.991 18.386 -8.251 1.00 2.45 H new ATOM 1387 N PHE B 189 0.580 18.804 -9.653 1.00 31.34 N ATOM 1388 CA PHE B 189 2.018 18.859 -9.420 1.00 1.34 C ATOM 1389 C PHE B 189 2.683 19.866 -10.355 1.00 52.11 C ATOM 1390 O PHE B 189 3.700 20.469 -10.014 1.00 74.34 O ATOM 1391 CB PHE B 189 2.641 17.476 -9.617 1.00 41.21 C ATOM 1392 CG PHE B 189 2.193 16.467 -8.598 1.00 44.50 C ATOM 1393 CD1 PHE B 189 2.096 16.811 -7.260 1.00 12.31 C ATOM 1394 CD2 PHE B 189 1.872 15.174 -8.979 1.00 75.02 C ATOM 1395 CE1 PHE B 189 1.685 15.884 -6.319 1.00 33.35 C ATOM 1396 CE2 PHE B 189 1.460 14.244 -8.044 1.00 11.30 C ATOM 1397 CZ PHE B 189 1.367 14.600 -6.712 1.00 41.43 C ATOM 0 H PHE B 189 0.213 17.865 -9.807 1.00 31.34 H new ATOM 0 HA PHE B 189 2.182 19.181 -8.392 1.00 1.34 H new ATOM 0 HB2 PHE B 189 2.389 17.111 -10.613 1.00 41.21 H new ATOM 0 HB3 PHE B 189 3.726 17.566 -9.575 1.00 41.21 H new ATOM 0 HD1 PHE B 189 2.344 17.815 -6.948 1.00 12.31 H new ATOM 0 HD2 PHE B 189 1.945 14.890 -10.018 1.00 75.02 H new ATOM 0 HE1 PHE B 189 1.613 16.165 -5.279 1.00 33.35 H new ATOM 0 HE2 PHE B 189 1.211 13.240 -8.354 1.00 11.30 H new ATOM 0 HZ PHE B 189 1.046 13.874 -5.980 1.00 41.43 H new ATOM 1407 N GLY B 190 2.101 20.041 -11.537 1.00 13.22 N ATOM 1408 CA GLY B 190 2.649 20.974 -12.503 1.00 12.24 C ATOM 1409 C GLY B 190 3.720 20.346 -13.373 1.00 24.04 C ATOM 1410 O GLY B 190 4.881 20.253 -12.971 1.00 3.31 O ATOM 0 H GLY B 190 1.259 19.553 -11.843 1.00 13.22 H new ATOM 0 HA2 GLY B 190 1.846 21.350 -13.136 1.00 12.24 H new ATOM 0 HA3 GLY B 190 3.069 21.832 -11.977 1.00 12.24 H new ATOM 1414 N LEU B 191 3.332 19.912 -14.566 1.00 10.51 N ATOM 1415 CA LEU B 191 4.268 19.287 -15.495 1.00 4.50 C ATOM 1416 C LEU B 191 4.063 19.813 -16.911 1.00 23.35 C ATOM 1417 O LEU B 191 4.857 20.610 -17.409 1.00 63.01 O ATOM 1418 CB LEU B 191 4.099 17.767 -15.474 1.00 74.04 C ATOM 1419 CG LEU B 191 4.479 17.066 -14.169 1.00 71.33 C ATOM 1420 CD1 LEU B 191 3.419 16.046 -13.783 1.00 51.41 C ATOM 1421 CD2 LEU B 191 5.841 16.401 -14.298 1.00 72.23 C ATOM 0 H LEU B 191 2.376 19.981 -14.914 1.00 10.51 H new ATOM 0 HA LEU B 191 5.280 19.539 -15.177 1.00 4.50 H new ATOM 0 HB2 LEU B 191 3.058 17.534 -15.698 1.00 74.04 H new ATOM 0 HB3 LEU B 191 4.700 17.344 -16.279 1.00 74.04 H new ATOM 0 HG LEU B 191 4.537 17.815 -13.379 1.00 71.33 H new ATOM 0 HD11 LEU B 191 3.706 15.557 -12.852 1.00 51.41 H new ATOM 0 HD12 LEU B 191 2.462 16.549 -13.648 1.00 51.41 H new ATOM 0 HD13 LEU B 191 3.328 15.299 -14.572 1.00 51.41 H new ATOM 0 HD21 LEU B 191 6.095 15.907 -13.360 1.00 72.23 H new ATOM 0 HD22 LEU B 191 5.811 15.663 -15.100 1.00 72.23 H new ATOM 0 HD23 LEU B 191 6.594 17.155 -14.527 1.00 72.23 H new ATOM 1433 N ASN B 192 2.991 19.364 -17.556 1.00 63.43 N ATOM 1434 CA ASN B 192 2.680 19.791 -18.915 1.00 44.31 C ATOM 1435 C ASN B 192 1.394 19.138 -19.410 1.00 52.32 C ATOM 1436 O ASN B 192 0.363 19.798 -19.542 1.00 3.50 O ATOM 1437 CB ASN B 192 3.835 19.446 -19.856 1.00 4.13 C ATOM 1438 CG ASN B 192 4.625 20.671 -20.277 1.00 32.21 C ATOM 1439 OD1 ASN B 192 4.085 21.774 -20.355 1.00 32.21 O ATOM 1440 ND2 ASN B 192 5.911 20.481 -20.550 1.00 35.31 N ATOM 0 H ASN B 192 2.323 18.704 -17.159 1.00 63.43 H new ATOM 0 HA ASN B 192 2.537 20.872 -18.906 1.00 44.31 H new ATOM 0 HB2 ASN B 192 4.502 18.739 -19.363 1.00 4.13 H new ATOM 0 HB3 ASN B 192 3.441 18.949 -20.743 1.00 4.13 H new ATOM 0 HD21 ASN B 192 6.493 21.268 -20.838 1.00 35.31 H new ATOM 0 HD22 ASN B 192 6.317 19.548 -20.472 1.00 35.31 H new ATOM 1447 N GLU B 193 1.462 17.839 -19.680 1.00 13.44 N ATOM 1448 CA GLU B 193 0.302 17.096 -20.161 1.00 24.22 C ATOM 1449 C GLU B 193 0.647 15.626 -20.372 1.00 52.43 C ATOM 1450 O GLU B 193 -0.105 14.737 -19.972 1.00 71.54 O ATOM 1451 CB GLU B 193 -0.214 17.703 -21.468 1.00 62.41 C ATOM 1452 CG GLU B 193 0.874 17.936 -22.502 1.00 2.43 C ATOM 1453 CD GLU B 193 0.375 18.700 -23.713 1.00 22.13 C ATOM 1454 OE1 GLU B 193 -0.467 18.152 -24.454 1.00 14.31 O ATOM 1455 OE2 GLU B 193 0.825 19.846 -23.919 1.00 25.31 O1- ATOM 0 H GLU B 193 2.308 17.279 -19.574 1.00 13.44 H new ATOM 0 HA GLU B 193 -0.480 17.163 -19.404 1.00 24.22 H new ATOM 0 HB2 GLU B 193 -0.971 17.043 -21.892 1.00 62.41 H new ATOM 0 HB3 GLU B 193 -0.705 18.651 -21.249 1.00 62.41 H new ATOM 0 HG2 GLU B 193 1.695 18.487 -22.042 1.00 2.43 H new ATOM 0 HG3 GLU B 193 1.276 16.975 -22.824 1.00 2.43 H new ATOM 1462 N GLU B 194 1.789 15.376 -21.006 1.00 71.43 N ATOM 1463 CA GLU B 194 2.233 14.012 -21.271 1.00 34.11 C ATOM 1464 C GLU B 194 2.667 13.320 -19.983 1.00 30.50 C ATOM 1465 O GLU B 194 2.463 12.119 -19.812 1.00 4.31 O ATOM 1466 CB GLU B 194 3.386 14.014 -22.276 1.00 3.14 C ATOM 1467 CG GLU B 194 3.027 13.398 -23.618 1.00 75.21 C ATOM 1468 CD GLU B 194 3.624 12.017 -23.804 1.00 43.41 C ATOM 1469 OE1 GLU B 194 4.843 11.862 -23.575 1.00 32.52 O ATOM 1470 OE2 GLU B 194 2.875 11.091 -24.180 1.00 61.31 O1- ATOM 0 H GLU B 194 2.423 16.100 -21.345 1.00 71.43 H new ATOM 0 HA GLU B 194 1.393 13.460 -21.693 1.00 34.11 H new ATOM 0 HB2 GLU B 194 3.717 15.040 -22.434 1.00 3.14 H new ATOM 0 HB3 GLU B 194 4.229 13.470 -21.850 1.00 3.14 H new ATOM 0 HG2 GLU B 194 1.942 13.336 -23.707 1.00 75.21 H new ATOM 0 HG3 GLU B 194 3.375 14.051 -24.418 1.00 75.21 H new ATOM 1477 N ASP B 195 3.267 14.088 -19.080 1.00 24.11 N ATOM 1478 CA ASP B 195 3.731 13.550 -17.806 1.00 74.31 C ATOM 1479 C ASP B 195 2.560 13.036 -16.975 1.00 52.22 C ATOM 1480 O ASP B 195 2.638 11.968 -16.365 1.00 64.40 O ATOM 1481 CB ASP B 195 4.495 14.620 -17.024 1.00 31.43 C ATOM 1482 CG ASP B 195 5.772 15.046 -17.723 1.00 60.23 C ATOM 1483 OD1 ASP B 195 6.818 14.407 -17.485 1.00 32.12 O1- ATOM 1484 OD2 ASP B 195 5.725 16.018 -18.505 1.00 5.14 O ATOM 0 H ASP B 195 3.443 15.085 -19.206 1.00 24.11 H new ATOM 0 HA ASP B 195 4.400 12.715 -18.015 1.00 74.31 H new ATOM 0 HB2 ASP B 195 3.854 15.490 -16.883 1.00 31.43 H new ATOM 0 HB3 ASP B 195 4.737 14.238 -16.032 1.00 31.43 H new ATOM 1489 N THR B 196 1.473 13.801 -16.955 1.00 54.44 N ATOM 1490 CA THR B 196 0.286 13.423 -16.197 1.00 2.32 C ATOM 1491 C THR B 196 -0.339 12.149 -16.753 1.00 3.25 C ATOM 1492 O THR B 196 -0.682 11.237 -16.003 1.00 72.31 O ATOM 1493 CB THR B 196 -0.768 14.546 -16.208 1.00 10.00 C ATOM 1494 OG1 THR B 196 -0.226 15.733 -15.618 1.00 72.22 O ATOM 1495 CG2 THR B 196 -2.018 14.122 -15.452 1.00 62.21 C ATOM 0 H THR B 196 1.390 14.686 -17.455 1.00 54.44 H new ATOM 0 HA THR B 196 0.609 13.248 -15.171 1.00 2.32 H new ATOM 0 HB THR B 196 -1.041 14.748 -17.244 1.00 10.00 H new ATOM 0 HG1 THR B 196 -0.837 16.483 -15.772 1.00 72.22 H new ATOM 0 HG21 THR B 196 -2.748 14.931 -15.473 1.00 62.21 H new ATOM 0 HG22 THR B 196 -2.445 13.236 -15.922 1.00 62.21 H new ATOM 0 HG23 THR B 196 -1.758 13.895 -14.418 1.00 62.21 H new ATOM 1503 N ASN B 197 -0.483 12.094 -18.074 1.00 43.42 N ATOM 1504 CA ASN B 197 -1.066 10.930 -18.730 1.00 55.01 C ATOM 1505 C ASN B 197 -0.146 9.720 -18.614 1.00 3.32 C ATOM 1506 O ASN B 197 -0.604 8.590 -18.440 1.00 34.31 O ATOM 1507 CB ASN B 197 -1.343 11.236 -20.204 1.00 12.32 C ATOM 1508 CG ASN B 197 -2.115 10.125 -20.891 1.00 62.45 C ATOM 1509 OD1 ASN B 197 -2.533 9.159 -20.252 1.00 2.11 O ATOM 1510 ND2 ASN B 197 -2.307 10.258 -22.197 1.00 1.23 N ATOM 0 H ASN B 197 -0.204 12.841 -18.710 1.00 43.42 H new ATOM 0 HA ASN B 197 -2.006 10.696 -18.231 1.00 55.01 H new ATOM 0 HB2 ASN B 197 -1.906 12.166 -20.279 1.00 12.32 H new ATOM 0 HB3 ASN B 197 -0.398 11.393 -20.723 1.00 12.32 H new ATOM 0 HD21 ASN B 197 -2.819 9.542 -22.713 1.00 1.23 H new ATOM 0 HD22 ASN B 197 -1.942 11.076 -22.685 1.00 1.23 H new ATOM 1517 N LEU B 198 1.157 9.963 -18.712 1.00 22.53 N ATOM 1518 CA LEU B 198 2.145 8.895 -18.617 1.00 42.22 C ATOM 1519 C LEU B 198 2.059 8.192 -17.267 1.00 74.24 C ATOM 1520 O LEU B 198 2.203 6.972 -17.179 1.00 51.33 O ATOM 1521 CB LEU B 198 3.553 9.455 -18.825 1.00 40.14 C ATOM 1522 CG LEU B 198 4.668 8.421 -18.991 1.00 23.12 C ATOM 1523 CD1 LEU B 198 5.681 8.893 -20.023 1.00 5.40 C ATOM 1524 CD2 LEU B 198 5.349 8.151 -17.658 1.00 62.42 C ATOM 0 H LEU B 198 1.553 10.892 -18.857 1.00 22.53 H new ATOM 0 HA LEU B 198 1.932 8.166 -19.399 1.00 42.22 H new ATOM 0 HB2 LEU B 198 3.542 10.093 -19.709 1.00 40.14 H new ATOM 0 HB3 LEU B 198 3.799 10.092 -17.975 1.00 40.14 H new ATOM 0 HG LEU B 198 4.225 7.490 -19.344 1.00 23.12 H new ATOM 0 HD11 LEU B 198 6.468 8.146 -20.129 1.00 5.40 H new ATOM 0 HD12 LEU B 198 5.184 9.035 -20.983 1.00 5.40 H new ATOM 0 HD13 LEU B 198 6.119 9.837 -19.698 1.00 5.40 H new ATOM 0 HD21 LEU B 198 6.139 7.413 -17.796 1.00 62.42 H new ATOM 0 HD22 LEU B 198 5.779 9.076 -17.275 1.00 62.42 H new ATOM 0 HD23 LEU B 198 4.617 7.770 -16.946 1.00 62.42 H new ATOM 1536 N LEU B 199 1.820 8.968 -16.216 1.00 72.24 N ATOM 1537 CA LEU B 199 1.712 8.420 -14.868 1.00 62.11 C ATOM 1538 C LEU B 199 0.538 7.452 -14.766 1.00 74.30 C ATOM 1539 O LEU B 199 0.679 6.340 -14.257 1.00 31.52 O ATOM 1540 CB LEU B 199 1.547 9.549 -13.849 1.00 71.15 C ATOM 1541 CG LEU B 199 1.040 9.136 -12.466 1.00 1.21 C ATOM 1542 CD1 LEU B 199 1.888 9.773 -11.375 1.00 52.20 C ATOM 1543 CD2 LEU B 199 -0.423 9.519 -12.298 1.00 0.12 C ATOM 0 H LEU B 199 1.697 9.979 -16.271 1.00 72.24 H new ATOM 0 HA LEU B 199 2.629 7.873 -14.650 1.00 62.11 H new ATOM 0 HB2 LEU B 199 2.510 10.046 -13.728 1.00 71.15 H new ATOM 0 HB3 LEU B 199 0.858 10.286 -14.261 1.00 71.15 H new ATOM 0 HG LEU B 199 1.124 8.053 -12.378 1.00 1.21 H new ATOM 0 HD11 LEU B 199 1.513 9.468 -10.398 1.00 52.20 H new ATOM 0 HD12 LEU B 199 2.923 9.449 -11.483 1.00 52.20 H new ATOM 0 HD13 LEU B 199 1.836 10.858 -11.461 1.00 52.20 H new ATOM 0 HD21 LEU B 199 -0.767 9.218 -11.308 1.00 0.12 H new ATOM 0 HD22 LEU B 199 -0.531 10.598 -12.407 1.00 0.12 H new ATOM 0 HD23 LEU B 199 -1.020 9.016 -13.058 1.00 0.12 H new ATOM 1555 N ILE B 200 -0.621 7.882 -15.256 1.00 25.33 N ATOM 1556 CA ILE B 200 -1.819 7.052 -15.223 1.00 63.41 C ATOM 1557 C ILE B 200 -1.617 5.764 -16.014 1.00 43.11 C ATOM 1558 O ILE B 200 -2.200 4.729 -15.694 1.00 61.21 O ATOM 1559 CB ILE B 200 -3.038 7.802 -15.788 1.00 74.51 C ATOM 1560 CG1 ILE B 200 -3.344 9.038 -14.939 1.00 51.02 C ATOM 1561 CG2 ILE B 200 -4.248 6.881 -15.845 1.00 70.23 C ATOM 1562 CD1 ILE B 200 -3.689 8.713 -13.502 1.00 23.31 C ATOM 0 H ILE B 200 -0.755 8.800 -15.680 1.00 25.33 H new ATOM 0 HA ILE B 200 -2.006 6.808 -14.177 1.00 63.41 H new ATOM 0 HB ILE B 200 -2.805 8.129 -16.802 1.00 74.51 H new ATOM 0 HG12 ILE B 200 -2.481 9.703 -14.956 1.00 51.02 H new ATOM 0 HG13 ILE B 200 -4.174 9.582 -15.390 1.00 51.02 H new ATOM 0 HG21 ILE B 200 -5.102 7.426 -16.247 1.00 70.23 H new ATOM 0 HG22 ILE B 200 -4.027 6.029 -16.488 1.00 70.23 H new ATOM 0 HG23 ILE B 200 -4.483 6.527 -14.841 1.00 70.23 H new ATOM 0 HD11 ILE B 200 -3.894 9.636 -12.959 1.00 23.31 H new ATOM 0 HD12 ILE B 200 -4.571 8.073 -13.475 1.00 23.31 H new ATOM 0 HD13 ILE B 200 -2.851 8.196 -13.035 1.00 23.31 H new ATOM 1574 N ASN B 201 -0.784 5.836 -17.048 1.00 54.32 N ATOM 1575 CA ASN B 201 -0.504 4.675 -17.885 1.00 52.21 C ATOM 1576 C ASN B 201 0.212 3.590 -17.088 1.00 44.44 C ATOM 1577 O ASN B 201 -0.030 2.399 -17.284 1.00 64.32 O ATOM 1578 CB ASN B 201 0.345 5.082 -19.090 1.00 4.35 C ATOM 1579 CG ASN B 201 -0.214 4.555 -20.397 1.00 35.01 C ATOM 1580 OD1 ASN B 201 -0.989 3.599 -20.413 1.00 44.53 O ATOM 1581 ND2 ASN B 201 0.176 5.179 -21.503 1.00 74.32 N ATOM 0 H ASN B 201 -0.292 6.685 -17.326 1.00 54.32 H new ATOM 0 HA ASN B 201 -1.455 4.275 -18.237 1.00 52.21 H new ATOM 0 HB2 ASN B 201 0.407 6.169 -19.137 1.00 4.35 H new ATOM 0 HB3 ASN B 201 1.361 4.711 -18.957 1.00 4.35 H new ATOM 0 HD21 ASN B 201 -0.169 4.869 -22.412 1.00 74.32 H new ATOM 0 HD22 ASN B 201 0.820 5.968 -21.443 1.00 74.32 H new ATOM 1588 N ALA B 202 1.094 4.010 -16.187 1.00 21.21 N ATOM 1589 CA ALA B 202 1.845 3.074 -15.357 1.00 74.42 C ATOM 1590 C ALA B 202 0.956 2.466 -14.276 1.00 2.23 C ATOM 1591 O ALA B 202 0.972 1.255 -14.057 1.00 62.34 O ATOM 1592 CB ALA B 202 3.043 3.770 -14.729 1.00 75.02 C ATOM 0 H ALA B 202 1.307 4.992 -16.013 1.00 21.21 H new ATOM 0 HA ALA B 202 2.202 2.265 -15.995 1.00 74.42 H new ATOM 0 HB1 ALA B 202 3.594 3.060 -14.112 1.00 75.02 H new ATOM 0 HB2 ALA B 202 3.695 4.151 -15.515 1.00 75.02 H new ATOM 0 HB3 ALA B 202 2.699 4.598 -14.109 1.00 75.02 H new ATOM 1598 N VAL B 203 0.184 3.313 -13.605 1.00 20.40 N ATOM 1599 CA VAL B 203 -0.710 2.859 -12.547 1.00 11.33 C ATOM 1600 C VAL B 203 -1.855 2.027 -13.115 1.00 4.23 C ATOM 1601 O VAL B 203 -2.097 0.903 -12.674 1.00 24.41 O ATOM 1602 CB VAL B 203 -1.296 4.046 -11.758 1.00 44.31 C ATOM 1603 CG1 VAL B 203 -1.880 3.571 -10.437 1.00 74.31 C ATOM 1604 CG2 VAL B 203 -0.233 5.109 -11.529 1.00 24.12 C ATOM 0 H VAL B 203 0.159 4.318 -13.775 1.00 20.40 H new ATOM 0 HA VAL B 203 -0.115 2.243 -11.873 1.00 11.33 H new ATOM 0 HB VAL B 203 -2.100 4.490 -12.345 1.00 44.31 H new ATOM 0 HG11 VAL B 203 -2.289 4.422 -9.893 1.00 74.31 H new ATOM 0 HG12 VAL B 203 -2.673 2.848 -10.629 1.00 74.31 H new ATOM 0 HG13 VAL B 203 -1.097 3.102 -9.841 1.00 74.31 H new ATOM 0 HG21 VAL B 203 -0.664 5.940 -10.970 1.00 24.12 H new ATOM 0 HG22 VAL B 203 0.594 4.681 -10.962 1.00 24.12 H new ATOM 0 HG23 VAL B 203 0.134 5.469 -12.490 1.00 24.12 H new ATOM 1614 N ASP B 204 -2.554 2.585 -14.096 1.00 13.02 N ATOM 1615 CA ASP B 204 -3.673 1.894 -14.726 1.00 3.23 C ATOM 1616 C ASP B 204 -3.241 0.530 -15.256 1.00 64.42 C ATOM 1617 O ASP B 204 -3.964 -0.458 -15.122 1.00 74.32 O ATOM 1618 CB ASP B 204 -4.245 2.739 -15.866 1.00 40.35 C ATOM 1619 CG ASP B 204 -5.578 2.212 -16.364 1.00 2.45 C ATOM 1620 OD1 ASP B 204 -5.594 1.122 -16.972 1.00 61.23 O1- ATOM 1621 OD2 ASP B 204 -6.603 2.892 -16.147 1.00 51.54 O ATOM 0 H ASP B 204 -2.366 3.514 -14.473 1.00 13.02 H new ATOM 0 HA ASP B 204 -4.445 1.743 -13.972 1.00 3.23 H new ATOM 0 HB2 ASP B 204 -4.368 3.767 -15.526 1.00 40.35 H new ATOM 0 HB3 ASP B 204 -3.534 2.759 -16.692 1.00 40.35 H new ATOM 1626 N LEU B 205 -2.057 0.482 -15.857 1.00 72.40 N ATOM 1627 CA LEU B 205 -1.528 -0.760 -16.408 1.00 70.01 C ATOM 1628 C LEU B 205 -1.055 -1.691 -15.295 1.00 34.43 C ATOM 1629 O LEU B 205 -1.116 -2.913 -15.428 1.00 1.12 O ATOM 1630 CB LEU B 205 -0.373 -0.465 -17.366 1.00 12.12 C ATOM 1631 CG LEU B 205 0.189 -1.665 -18.130 1.00 43.33 C ATOM 1632 CD1 LEU B 205 -0.047 -1.507 -19.623 1.00 75.43 C ATOM 1633 CD2 LEU B 205 1.674 -1.835 -17.837 1.00 31.44 C ATOM 0 H LEU B 205 -1.445 1.290 -15.975 1.00 72.40 H new ATOM 0 HA LEU B 205 -2.329 -1.256 -16.956 1.00 70.01 H new ATOM 0 HB2 LEU B 205 -0.709 0.277 -18.091 1.00 12.12 H new ATOM 0 HB3 LEU B 205 0.438 -0.010 -16.797 1.00 12.12 H new ATOM 0 HG LEU B 205 -0.333 -2.561 -17.795 1.00 43.33 H new ATOM 0 HD11 LEU B 205 0.360 -2.371 -20.149 1.00 75.43 H new ATOM 0 HD12 LEU B 205 -1.117 -1.435 -19.817 1.00 75.43 H new ATOM 0 HD13 LEU B 205 0.447 -0.602 -19.976 1.00 75.43 H new ATOM 0 HD21 LEU B 205 2.058 -2.693 -18.389 1.00 31.44 H new ATOM 0 HD22 LEU B 205 2.210 -0.937 -18.144 1.00 31.44 H new ATOM 0 HD23 LEU B 205 1.818 -1.996 -16.769 1.00 31.44 H new ATOM 1645 N ASP B 206 -0.587 -1.104 -14.199 1.00 13.34 N ATOM 1646 CA ASP B 206 -0.107 -1.881 -13.063 1.00 61.33 C ATOM 1647 C ASP B 206 -1.251 -2.649 -12.408 1.00 13.34 C ATOM 1648 O ASP B 206 -1.127 -3.841 -12.123 1.00 75.43 O ATOM 1649 CB ASP B 206 0.560 -0.963 -12.037 1.00 41.02 C ATOM 1650 CG ASP B 206 2.073 -1.049 -12.081 1.00 33.03 C ATOM 1651 OD1 ASP B 206 2.641 -1.902 -11.368 1.00 14.14 O1- ATOM 1652 OD2 ASP B 206 2.690 -0.261 -12.829 1.00 2.45 O ATOM 0 H ASP B 206 -0.530 -0.093 -14.073 1.00 13.34 H new ATOM 0 HA ASP B 206 0.627 -2.599 -13.429 1.00 61.33 H new ATOM 0 HB2 ASP B 206 0.252 0.066 -12.220 1.00 41.02 H new ATOM 0 HB3 ASP B 206 0.213 -1.227 -11.038 1.00 41.02 H new ATOM 1657 N ILE B 207 -2.362 -1.959 -12.172 1.00 50.43 N ATOM 1658 CA ILE B 207 -3.527 -2.577 -11.552 1.00 41.33 C ATOM 1659 C ILE B 207 -4.147 -3.627 -12.468 1.00 33.14 C ATOM 1660 O ILE B 207 -4.475 -4.731 -12.035 1.00 61.12 O ATOM 1661 CB ILE B 207 -4.596 -1.529 -11.193 1.00 73.21 C ATOM 1662 CG1 ILE B 207 -4.098 -0.627 -10.062 1.00 43.13 C ATOM 1663 CG2 ILE B 207 -5.897 -2.213 -10.798 1.00 42.15 C ATOM 1664 CD1 ILE B 207 -3.935 0.820 -10.471 1.00 4.13 C ATOM 0 H ILE B 207 -2.480 -0.972 -12.401 1.00 50.43 H new ATOM 0 HA ILE B 207 -3.179 -3.057 -10.637 1.00 41.33 H new ATOM 0 HB ILE B 207 -4.785 -0.910 -12.070 1.00 73.21 H new ATOM 0 HG12 ILE B 207 -4.797 -0.684 -9.228 1.00 43.13 H new ATOM 0 HG13 ILE B 207 -3.141 -1.004 -9.702 1.00 43.13 H new ATOM 0 HG21 ILE B 207 -6.643 -1.459 -10.547 1.00 42.15 H new ATOM 0 HG22 ILE B 207 -6.258 -2.817 -11.630 1.00 42.15 H new ATOM 0 HG23 ILE B 207 -5.723 -2.853 -9.933 1.00 42.15 H new ATOM 0 HD11 ILE B 207 -3.579 1.401 -9.620 1.00 4.13 H new ATOM 0 HD12 ILE B 207 -3.213 0.889 -11.285 1.00 4.13 H new ATOM 0 HD13 ILE B 207 -4.895 1.214 -10.804 1.00 4.13 H new ATOM 1676 N LYS B 208 -4.304 -3.274 -13.741 1.00 44.13 N ATOM 1677 CA LYS B 208 -4.881 -4.185 -14.721 1.00 21.13 C ATOM 1678 C LYS B 208 -3.980 -5.397 -14.935 1.00 12.04 C ATOM 1679 O LYS B 208 -4.460 -6.517 -15.106 1.00 73.13 O ATOM 1680 CB LYS B 208 -5.104 -3.461 -16.052 1.00 64.32 C ATOM 1681 CG LYS B 208 -5.638 -4.360 -17.153 1.00 64.22 C ATOM 1682 CD LYS B 208 -4.658 -4.467 -18.308 1.00 13.54 C ATOM 1683 CE LYS B 208 -5.138 -5.462 -19.355 1.00 21.24 C ATOM 1684 NZ LYS B 208 -4.334 -6.714 -19.340 1.00 5.50 N1+ ATOM 0 H LYS B 208 -4.039 -2.363 -14.117 1.00 44.13 H new ATOM 0 HA LYS B 208 -5.841 -4.531 -14.337 1.00 21.13 H new ATOM 0 HB2 LYS B 208 -5.802 -2.639 -15.896 1.00 64.32 H new ATOM 0 HB3 LYS B 208 -4.162 -3.021 -16.379 1.00 64.32 H new ATOM 0 HG2 LYS B 208 -5.836 -5.353 -16.749 1.00 64.22 H new ATOM 0 HG3 LYS B 208 -6.588 -3.968 -17.516 1.00 64.22 H new ATOM 0 HD2 LYS B 208 -4.527 -3.487 -18.768 1.00 13.54 H new ATOM 0 HD3 LYS B 208 -3.682 -4.775 -17.932 1.00 13.54 H new ATOM 0 HE2 LYS B 208 -6.186 -5.701 -19.175 1.00 21.24 H new ATOM 0 HE3 LYS B 208 -5.081 -5.005 -20.343 1.00 21.24 H new ATOM 0 HZ1 LYS B 208 -4.692 -7.365 -20.067 1.00 5.50 H new ATOM 0 HZ2 LYS B 208 -3.338 -6.489 -19.537 1.00 5.50 H new ATOM 0 HZ3 LYS B 208 -4.409 -7.164 -18.405 1.00 5.50 H new ATOM 1698 N ASN B 209 -2.671 -5.165 -14.924 1.00 14.42 N ATOM 1699 CA ASN B 209 -1.703 -6.239 -15.116 1.00 14.10 C ATOM 1700 C ASN B 209 -1.802 -7.268 -13.993 1.00 12.10 C ATOM 1701 O ASN B 209 -1.698 -8.471 -14.229 1.00 4.05 O ATOM 1702 CB ASN B 209 -0.284 -5.670 -15.178 1.00 74.24 C ATOM 1703 CG ASN B 209 0.772 -6.756 -15.241 1.00 14.44 C ATOM 1704 OD1 ASN B 209 0.489 -7.891 -15.627 1.00 74.03 O ATOM 1705 ND2 ASN B 209 1.998 -6.412 -14.864 1.00 74.12 N ATOM 0 H ASN B 209 -2.257 -4.244 -14.784 1.00 14.42 H new ATOM 0 HA ASN B 209 -1.930 -6.735 -16.060 1.00 14.10 H new ATOM 0 HB2 ASN B 209 -0.192 -5.026 -16.053 1.00 74.24 H new ATOM 0 HB3 ASN B 209 -0.107 -5.046 -14.302 1.00 74.24 H new ATOM 0 HD21 ASN B 209 2.751 -7.100 -14.887 1.00 74.12 H new ATOM 0 HD22 ASN B 209 2.187 -5.460 -14.551 1.00 74.12 H new