USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 TYR OH : rot 1:sc= 1.23 USER MOD Set 1.2: B 201 ASN : amide:sc= 1.55 K(o=2.8,f=-4.2!) USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 9 ASN : amide:sc=-0.00613 K(o=-0.0061,f=-1.2) USER MOD Single : A 12 SER OG : rot 75:sc= 0.0537 USER MOD Single : A 13 TYR OH : rot 65:sc= 1.22 USER MOD Single : A 15 ASN : amide:sc= -0.106 K(o=-0.11,f=-0.61) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 170:sc= -0.0176 (180deg=-0.163) USER MOD Single : A 19 THR OG1 : rot 88:sc= 1.26 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -1.18 X(o=-1.2,f=-0.95) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.918 K(o=0.92,f=-0.91) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.329 X(o=-0.33,f=-0.2) USER MOD Single : A 69 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.022) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0.535 K(o=0.53,f=0) USER MOD Single : B 203 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : B 204 MET CE :methyl -178:sc= -0.334 (180deg=-0.357) USER MOD Single : B 211 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 52 N VAL A 5 34.995 44.019 40.125 1.00 0.00 N ATOM 53 CA VAL A 5 35.642 42.974 40.855 1.00 0.00 C ATOM 54 C VAL A 5 35.531 41.693 40.102 1.00 0.00 C ATOM 55 O VAL A 5 36.490 40.962 39.857 1.00 0.00 O ATOM 56 CB VAL A 5 34.983 42.825 42.195 1.00 0.00 C ATOM 57 CG1 VAL A 5 35.571 41.633 42.969 1.00 0.00 C ATOM 58 CG2 VAL A 5 35.178 44.137 42.973 1.00 0.00 C ATOM 0 HA VAL A 5 36.695 43.222 40.989 1.00 0.00 H new ATOM 0 HB VAL A 5 33.919 42.626 42.065 1.00 0.00 H new ATOM 0 HG11 VAL A 5 35.076 41.547 43.936 1.00 0.00 H new ATOM 0 HG12 VAL A 5 35.415 40.717 42.399 1.00 0.00 H new ATOM 0 HG13 VAL A 5 36.639 41.789 43.121 1.00 0.00 H new ATOM 0 HG21 VAL A 5 34.707 44.053 43.952 1.00 0.00 H new ATOM 0 HG22 VAL A 5 36.243 44.331 43.099 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.722 44.959 42.420 1.00 0.00 H new ATOM 68 N GLU A 6 34.302 41.403 39.638 1.00 0.00 N ATOM 69 CA GLU A 6 33.980 40.193 38.947 1.00 0.00 C ATOM 70 C GLU A 6 34.469 40.145 37.540 1.00 0.00 C ATOM 71 O GLU A 6 34.677 39.081 36.960 1.00 0.00 O ATOM 72 CB GLU A 6 32.455 40.006 39.010 1.00 0.00 C ATOM 73 CG GLU A 6 31.716 41.033 38.150 1.00 0.00 C ATOM 74 CD GLU A 6 30.285 41.304 38.593 1.00 0.00 C ATOM 75 OE1 GLU A 6 30.003 41.280 39.821 1.00 0.00 O ATOM 76 OE2 GLU A 6 29.462 41.651 37.704 1.00 0.00 O ATOM 0 H GLU A 6 33.506 42.032 39.747 1.00 0.00 H new ATOM 0 HA GLU A 6 34.499 39.374 39.444 1.00 0.00 H new ATOM 0 HB2 GLU A 6 32.199 39.001 38.675 1.00 0.00 H new ATOM 0 HB3 GLU A 6 32.122 40.092 40.044 1.00 0.00 H new ATOM 0 HG2 GLU A 6 32.273 41.970 38.164 1.00 0.00 H new ATOM 0 HG3 GLU A 6 31.705 40.685 37.117 1.00 0.00 H new ATOM 83 N PHE A 7 34.747 41.335 36.978 1.00 0.00 N ATOM 84 CA PHE A 7 35.471 41.502 35.756 1.00 0.00 C ATOM 85 C PHE A 7 36.856 40.979 35.921 1.00 0.00 C ATOM 86 O PHE A 7 37.316 40.168 35.119 1.00 0.00 O ATOM 87 CB PHE A 7 35.448 42.985 35.350 1.00 0.00 C ATOM 88 CG PHE A 7 36.220 43.294 34.113 1.00 0.00 C ATOM 89 CD1 PHE A 7 35.869 42.734 32.907 1.00 0.00 C ATOM 90 CD2 PHE A 7 37.290 44.156 34.170 1.00 0.00 C ATOM 91 CE1 PHE A 7 36.578 43.041 31.769 1.00 0.00 C ATOM 92 CE2 PHE A 7 37.998 44.472 33.035 1.00 0.00 C ATOM 93 CZ PHE A 7 37.636 43.917 31.829 1.00 0.00 C ATOM 0 H PHE A 7 34.454 42.219 37.394 1.00 0.00 H new ATOM 0 HA PHE A 7 35.003 40.933 34.953 1.00 0.00 H new ATOM 0 HB2 PHE A 7 34.413 43.294 35.205 1.00 0.00 H new ATOM 0 HB3 PHE A 7 35.846 43.581 36.171 1.00 0.00 H new ATOM 0 HD1 PHE A 7 35.034 42.051 32.853 1.00 0.00 H new ATOM 0 HD2 PHE A 7 37.577 44.589 35.117 1.00 0.00 H new ATOM 0 HE1 PHE A 7 36.303 42.593 30.826 1.00 0.00 H new ATOM 0 HE2 PHE A 7 38.835 45.153 33.089 1.00 0.00 H new ATOM 0 HZ PHE A 7 38.182 44.169 30.932 1.00 0.00 H new ATOM 103 N ASN A 8 37.531 41.333 37.029 1.00 0.00 N ATOM 104 CA ASN A 8 38.884 40.975 37.317 1.00 0.00 C ATOM 105 C ASN A 8 38.974 39.541 37.712 1.00 0.00 C ATOM 106 O ASN A 8 39.976 38.877 37.449 1.00 0.00 O ATOM 107 CB ASN A 8 39.455 41.826 38.465 1.00 0.00 C ATOM 108 CG ASN A 8 39.727 43.269 38.064 1.00 0.00 C ATOM 109 OD1 ASN A 8 40.017 43.625 36.923 1.00 0.00 O ATOM 110 ND2 ASN A 8 39.692 44.156 39.094 1.00 0.00 N ATOM 0 H ASN A 8 37.108 41.900 37.764 1.00 0.00 H new ATOM 0 HA ASN A 8 39.462 41.153 36.410 1.00 0.00 H new ATOM 0 HB2 ASN A 8 38.755 41.814 39.301 1.00 0.00 H new ATOM 0 HB3 ASN A 8 40.381 41.373 38.818 1.00 0.00 H new ATOM 0 HD21 ASN A 8 39.909 45.139 38.928 1.00 0.00 H new ATOM 0 HD22 ASN A 8 39.449 43.839 40.032 1.00 0.00 H new ATOM 117 N ASN A 9 37.906 38.975 38.302 1.00 0.00 N ATOM 118 CA ASN A 9 37.768 37.572 38.543 1.00 0.00 C ATOM 119 C ASN A 9 37.726 36.785 37.278 1.00 0.00 C ATOM 120 O ASN A 9 38.261 35.680 37.206 1.00 0.00 O ATOM 121 CB ASN A 9 36.526 37.240 39.387 1.00 0.00 C ATOM 122 CG ASN A 9 36.661 37.789 40.801 1.00 0.00 C ATOM 123 OD1 ASN A 9 37.757 38.038 41.299 1.00 0.00 O ATOM 124 ND2 ASN A 9 35.513 37.935 41.517 1.00 0.00 N ATOM 0 H ASN A 9 37.105 39.518 38.625 1.00 0.00 H new ATOM 0 HA ASN A 9 38.657 37.287 39.106 1.00 0.00 H new ATOM 0 HB2 ASN A 9 35.638 37.660 38.914 1.00 0.00 H new ATOM 0 HB3 ASN A 9 36.386 36.160 39.425 1.00 0.00 H new ATOM 0 HD21 ASN A 9 35.553 38.256 42.484 1.00 0.00 H new ATOM 0 HD22 ASN A 9 34.613 37.723 41.086 1.00 0.00 H new ATOM 131 N ALA A 10 37.138 37.343 36.204 1.00 0.00 N ATOM 132 CA ALA A 10 37.225 36.792 34.886 1.00 0.00 C ATOM 133 C ALA A 10 38.583 36.932 34.290 1.00 0.00 C ATOM 134 O ALA A 10 39.111 35.973 33.730 1.00 0.00 O ATOM 135 CB ALA A 10 36.129 37.362 33.971 1.00 0.00 C ATOM 0 H ALA A 10 36.587 38.200 36.253 1.00 0.00 H new ATOM 0 HA ALA A 10 37.051 35.720 34.980 1.00 0.00 H new ATOM 0 HB1 ALA A 10 36.221 36.925 32.977 1.00 0.00 H new ATOM 0 HB2 ALA A 10 35.149 37.122 34.384 1.00 0.00 H new ATOM 0 HB3 ALA A 10 36.239 38.444 33.903 1.00 0.00 H new ATOM 141 N ILE A 11 39.252 38.091 34.428 1.00 0.00 N ATOM 142 CA ILE A 11 40.586 38.317 33.965 1.00 0.00 C ATOM 143 C ILE A 11 41.574 37.358 34.535 1.00 0.00 C ATOM 144 O ILE A 11 42.320 36.702 33.809 1.00 0.00 O ATOM 145 CB ILE A 11 41.112 39.692 34.259 1.00 0.00 C ATOM 146 CG1 ILE A 11 40.168 40.827 33.830 1.00 0.00 C ATOM 147 CG2 ILE A 11 42.437 39.937 33.519 1.00 0.00 C ATOM 148 CD1 ILE A 11 39.546 40.663 32.445 1.00 0.00 C ATOM 0 H ILE A 11 38.844 38.908 34.883 1.00 0.00 H new ATOM 0 HA ILE A 11 40.490 38.180 32.888 1.00 0.00 H new ATOM 0 HB ILE A 11 41.228 39.713 35.343 1.00 0.00 H new ATOM 0 HG12 ILE A 11 39.366 40.909 34.564 1.00 0.00 H new ATOM 0 HG13 ILE A 11 40.720 41.767 33.855 1.00 0.00 H new ATOM 0 HG21 ILE A 11 42.801 40.939 33.746 1.00 0.00 H new ATOM 0 HG22 ILE A 11 43.175 39.202 33.841 1.00 0.00 H new ATOM 0 HG23 ILE A 11 42.276 39.844 32.445 1.00 0.00 H new ATOM 0 HD11 ILE A 11 38.897 41.513 32.235 1.00 0.00 H new ATOM 0 HD12 ILE A 11 40.335 40.615 31.695 1.00 0.00 H new ATOM 0 HD13 ILE A 11 38.961 39.744 32.415 1.00 0.00 H new ATOM 160 N SER A 12 41.575 37.219 35.872 1.00 0.00 N ATOM 161 CA SER A 12 42.397 36.312 36.612 1.00 0.00 C ATOM 162 C SER A 12 42.253 34.888 36.198 1.00 0.00 C ATOM 163 O SER A 12 43.233 34.145 36.191 1.00 0.00 O ATOM 164 CB SER A 12 42.150 36.364 38.130 1.00 0.00 C ATOM 165 OG SER A 12 42.583 37.602 38.673 1.00 0.00 O ATOM 0 H SER A 12 40.965 37.773 36.473 1.00 0.00 H new ATOM 0 HA SER A 12 43.404 36.660 36.381 1.00 0.00 H new ATOM 0 HB2 SER A 12 41.088 36.224 38.334 1.00 0.00 H new ATOM 0 HB3 SER A 12 42.679 35.544 38.617 1.00 0.00 H new ATOM 0 HG SER A 12 41.940 38.304 38.441 1.00 0.00 H new ATOM 171 N TYR A 13 41.035 34.477 35.806 1.00 0.00 N ATOM 172 CA TYR A 13 40.730 33.181 35.282 1.00 0.00 C ATOM 173 C TYR A 13 41.326 32.961 33.933 1.00 0.00 C ATOM 174 O TYR A 13 42.074 32.007 33.729 1.00 0.00 O ATOM 175 CB TYR A 13 39.203 32.999 35.254 1.00 0.00 C ATOM 176 CG TYR A 13 38.714 31.634 34.913 1.00 0.00 C ATOM 177 CD1 TYR A 13 39.376 30.478 35.252 1.00 0.00 C ATOM 178 CD2 TYR A 13 37.525 31.547 34.227 1.00 0.00 C ATOM 179 CE1 TYR A 13 38.881 29.254 34.869 1.00 0.00 C ATOM 180 CE2 TYR A 13 37.030 30.331 33.818 1.00 0.00 C ATOM 181 CZ TYR A 13 37.722 29.185 34.132 1.00 0.00 C ATOM 182 OH TYR A 13 37.241 27.931 33.702 1.00 0.00 O ATOM 0 H TYR A 13 40.216 35.083 35.857 1.00 0.00 H new ATOM 0 HA TYR A 13 41.176 32.430 35.935 1.00 0.00 H new ATOM 0 HB2 TYR A 13 38.807 33.271 36.232 1.00 0.00 H new ATOM 0 HB3 TYR A 13 38.786 33.703 34.534 1.00 0.00 H new ATOM 0 HD1 TYR A 13 40.291 30.532 35.823 1.00 0.00 H new ATOM 0 HD2 TYR A 13 36.972 32.448 34.006 1.00 0.00 H new ATOM 0 HE1 TYR A 13 39.401 28.349 35.146 1.00 0.00 H new ATOM 0 HE2 TYR A 13 36.109 30.277 33.257 1.00 0.00 H new ATOM 0 HH TYR A 13 36.996 27.390 34.481 1.00 0.00 H new ATOM 192 N VAL A 14 41.073 33.847 32.953 1.00 0.00 N ATOM 193 CA VAL A 14 41.614 33.803 31.631 1.00 0.00 C ATOM 194 C VAL A 14 43.104 33.835 31.615 1.00 0.00 C ATOM 195 O VAL A 14 43.774 33.066 30.928 1.00 0.00 O ATOM 196 CB VAL A 14 41.099 34.952 30.818 1.00 0.00 C ATOM 197 CG1 VAL A 14 41.618 34.897 29.372 1.00 0.00 C ATOM 198 CG2 VAL A 14 39.571 34.807 30.711 1.00 0.00 C ATOM 0 H VAL A 14 40.452 34.643 33.094 1.00 0.00 H new ATOM 0 HA VAL A 14 41.293 32.855 31.200 1.00 0.00 H new ATOM 0 HB VAL A 14 41.420 35.875 31.300 1.00 0.00 H new ATOM 0 HG11 VAL A 14 41.225 35.745 28.812 1.00 0.00 H new ATOM 0 HG12 VAL A 14 42.707 34.938 29.375 1.00 0.00 H new ATOM 0 HG13 VAL A 14 41.291 33.969 28.903 1.00 0.00 H new ATOM 0 HG21 VAL A 14 39.168 35.632 30.123 1.00 0.00 H new ATOM 0 HG22 VAL A 14 39.328 33.862 30.225 1.00 0.00 H new ATOM 0 HG23 VAL A 14 39.133 34.825 31.709 1.00 0.00 H new ATOM 208 N ASN A 15 43.697 34.723 32.434 1.00 0.00 N ATOM 209 CA ASN A 15 45.111 34.767 32.643 1.00 0.00 C ATOM 210 C ASN A 15 45.695 33.531 33.235 1.00 0.00 C ATOM 211 O ASN A 15 46.783 33.114 32.842 1.00 0.00 O ATOM 212 CB ASN A 15 45.463 35.996 33.498 1.00 0.00 C ATOM 213 CG ASN A 15 46.850 36.550 33.199 1.00 0.00 C ATOM 214 OD1 ASN A 15 47.029 37.439 32.368 1.00 0.00 O ATOM 215 ND2 ASN A 15 47.877 36.019 33.916 1.00 0.00 N ATOM 0 H ASN A 15 43.182 35.426 32.963 1.00 0.00 H new ATOM 0 HA ASN A 15 45.562 34.842 31.654 1.00 0.00 H new ATOM 0 HB2 ASN A 15 44.721 36.776 33.326 1.00 0.00 H new ATOM 0 HB3 ASN A 15 45.405 35.727 34.553 1.00 0.00 H new ATOM 0 HD21 ASN A 15 48.828 36.357 33.772 1.00 0.00 H new ATOM 0 HD22 ASN A 15 47.696 35.283 34.598 1.00 0.00 H new ATOM 222 N LYS A 16 45.022 32.843 34.175 1.00 0.00 N ATOM 223 CA LYS A 16 45.417 31.569 34.690 1.00 0.00 C ATOM 224 C LYS A 16 45.389 30.494 33.659 1.00 0.00 C ATOM 225 O LYS A 16 46.322 29.702 33.541 1.00 0.00 O ATOM 226 CB LYS A 16 44.510 31.190 35.873 1.00 0.00 C ATOM 227 CG LYS A 16 44.935 29.893 36.563 1.00 0.00 C ATOM 228 CD LYS A 16 44.070 29.545 37.776 1.00 0.00 C ATOM 229 CE LYS A 16 44.455 28.200 38.396 1.00 0.00 C ATOM 230 NZ LYS A 16 43.625 27.890 39.582 1.00 0.00 N ATOM 0 H LYS A 16 44.161 33.192 34.596 1.00 0.00 H new ATOM 0 HA LYS A 16 46.452 31.659 35.021 1.00 0.00 H new ATOM 0 HB2 LYS A 16 44.515 32.001 36.602 1.00 0.00 H new ATOM 0 HB3 LYS A 16 43.484 31.087 35.518 1.00 0.00 H new ATOM 0 HG2 LYS A 16 44.888 29.075 35.845 1.00 0.00 H new ATOM 0 HG3 LYS A 16 45.974 29.981 36.879 1.00 0.00 H new ATOM 0 HD2 LYS A 16 44.167 30.330 38.526 1.00 0.00 H new ATOM 0 HD3 LYS A 16 43.022 29.518 37.477 1.00 0.00 H new ATOM 0 HE2 LYS A 16 44.340 27.410 37.654 1.00 0.00 H new ATOM 0 HE3 LYS A 16 45.507 28.218 38.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 43.913 26.972 39.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 43.754 28.631 40.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 42.624 27.849 39.304 1.00 0.00 H new ATOM 244 N ILE A 17 44.337 30.459 32.821 1.00 0.00 N ATOM 245 CA ILE A 17 44.169 29.596 31.693 1.00 0.00 C ATOM 246 C ILE A 17 45.290 29.767 30.726 1.00 0.00 C ATOM 247 O ILE A 17 45.948 28.802 30.340 1.00 0.00 O ATOM 248 CB ILE A 17 42.822 29.853 31.086 1.00 0.00 C ATOM 249 CG1 ILE A 17 41.717 29.295 31.998 1.00 0.00 C ATOM 250 CG2 ILE A 17 42.677 29.284 29.664 1.00 0.00 C ATOM 251 CD1 ILE A 17 40.313 29.744 31.596 1.00 0.00 C ATOM 0 H ILE A 17 43.541 31.085 32.944 1.00 0.00 H new ATOM 0 HA ILE A 17 44.203 28.552 32.004 1.00 0.00 H new ATOM 0 HB ILE A 17 42.720 30.935 30.998 1.00 0.00 H new ATOM 0 HG12 ILE A 17 41.760 28.206 31.984 1.00 0.00 H new ATOM 0 HG13 ILE A 17 41.911 29.608 33.024 1.00 0.00 H new ATOM 0 HG21 ILE A 17 41.680 29.505 29.284 1.00 0.00 H new ATOM 0 HG22 ILE A 17 43.423 29.739 29.012 1.00 0.00 H new ATOM 0 HG23 ILE A 17 42.826 28.204 29.687 1.00 0.00 H new ATOM 0 HD11 ILE A 17 39.583 29.314 32.282 1.00 0.00 H new ATOM 0 HD12 ILE A 17 40.253 30.832 31.638 1.00 0.00 H new ATOM 0 HD13 ILE A 17 40.100 29.408 30.581 1.00 0.00 H new ATOM 263 N LYS A 18 45.610 31.016 30.344 1.00 0.00 N ATOM 264 CA LYS A 18 46.679 31.325 29.444 1.00 0.00 C ATOM 265 C LYS A 18 48.038 30.994 29.956 1.00 0.00 C ATOM 266 O LYS A 18 48.920 30.618 29.185 1.00 0.00 O ATOM 267 CB LYS A 18 46.579 32.786 28.975 1.00 0.00 C ATOM 268 CG LYS A 18 47.570 33.807 29.538 1.00 0.00 C ATOM 269 CD LYS A 18 47.303 35.166 28.888 1.00 0.00 C ATOM 270 CE LYS A 18 48.261 36.272 29.341 1.00 0.00 C ATOM 271 NZ LYS A 18 49.664 35.906 29.044 1.00 0.00 N ATOM 0 H LYS A 18 45.107 31.840 30.673 1.00 0.00 H new ATOM 0 HA LYS A 18 46.550 30.666 28.585 1.00 0.00 H new ATOM 0 HB2 LYS A 18 46.678 32.792 27.890 1.00 0.00 H new ATOM 0 HB3 LYS A 18 45.574 33.139 29.205 1.00 0.00 H new ATOM 0 HG2 LYS A 18 47.463 33.879 30.620 1.00 0.00 H new ATOM 0 HG3 LYS A 18 48.593 33.488 29.339 1.00 0.00 H new ATOM 0 HD2 LYS A 18 47.373 35.060 27.805 1.00 0.00 H new ATOM 0 HD3 LYS A 18 46.281 35.470 29.113 1.00 0.00 H new ATOM 0 HE2 LYS A 18 48.010 37.206 28.838 1.00 0.00 H new ATOM 0 HE3 LYS A 18 48.144 36.445 30.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 50.278 36.730 29.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 49.960 35.130 29.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 49.741 35.600 28.053 1.00 0.00 H new ATOM 285 N THR A 19 48.259 31.110 31.278 1.00 0.00 N ATOM 286 CA THR A 19 49.481 30.780 31.942 1.00 0.00 C ATOM 287 C THR A 19 49.662 29.313 32.128 1.00 0.00 C ATOM 288 O THR A 19 50.783 28.808 32.088 1.00 0.00 O ATOM 289 CB THR A 19 49.590 31.486 33.262 1.00 0.00 C ATOM 290 OG1 THR A 19 49.464 32.890 33.093 1.00 0.00 O ATOM 291 CG2 THR A 19 50.974 31.273 33.898 1.00 0.00 C ATOM 0 H THR A 19 47.544 31.454 31.919 1.00 0.00 H new ATOM 0 HA THR A 19 50.282 31.124 31.288 1.00 0.00 H new ATOM 0 HB THR A 19 48.798 31.078 33.890 1.00 0.00 H new ATOM 0 HG1 THR A 19 48.517 33.140 33.129 1.00 0.00 H new ATOM 0 HG21 THR A 19 51.020 31.797 34.853 1.00 0.00 H new ATOM 0 HG22 THR A 19 51.140 30.208 34.060 1.00 0.00 H new ATOM 0 HG23 THR A 19 51.744 31.663 33.232 1.00 0.00 H new ATOM 299 N ARG A 20 48.603 28.508 32.331 1.00 0.00 N ATOM 300 CA ARG A 20 48.745 27.087 32.390 1.00 0.00 C ATOM 301 C ARG A 20 48.784 26.426 31.055 1.00 0.00 C ATOM 302 O ARG A 20 49.495 25.436 30.890 1.00 0.00 O ATOM 303 CB ARG A 20 47.687 26.450 33.307 1.00 0.00 C ATOM 304 CG ARG A 20 47.841 26.877 34.768 1.00 0.00 C ATOM 305 CD ARG A 20 49.152 26.420 35.409 1.00 0.00 C ATOM 306 NE ARG A 20 49.267 27.130 36.715 1.00 0.00 N ATOM 307 CZ ARG A 20 50.304 27.927 37.105 1.00 0.00 C ATOM 308 NH1 ARG A 20 51.398 28.190 36.331 1.00 0.00 N ATOM 309 NH2 ARG A 20 50.248 28.505 38.339 1.00 0.00 N ATOM 0 H ARG A 20 47.647 28.843 32.454 1.00 0.00 H new ATOM 0 HA ARG A 20 49.727 26.911 32.830 1.00 0.00 H new ATOM 0 HB2 ARG A 20 46.693 26.725 32.955 1.00 0.00 H new ATOM 0 HB3 ARG A 20 47.760 25.364 33.240 1.00 0.00 H new ATOM 0 HG2 ARG A 20 47.777 27.963 34.828 1.00 0.00 H new ATOM 0 HG3 ARG A 20 47.007 26.476 35.344 1.00 0.00 H new ATOM 0 HD2 ARG A 20 49.154 25.340 35.555 1.00 0.00 H new ATOM 0 HD3 ARG A 20 49.999 26.656 34.765 1.00 0.00 H new ATOM 0 HE ARG A 20 48.501 27.009 37.377 1.00 0.00 H new ATOM 0 HH11 ARG A 20 51.474 27.781 35.400 1.00 0.00 H new ATOM 0 HH12 ARG A 20 52.139 28.796 36.684 1.00 0.00 H new ATOM 0 HH21 ARG A 20 49.445 28.337 38.945 1.00 0.00 H new ATOM 0 HH22 ARG A 20 51.009 29.105 38.656 1.00 0.00 H new ATOM 323 N PHE A 21 48.095 26.958 30.031 1.00 0.00 N ATOM 324 CA PHE A 21 48.191 26.452 28.696 1.00 0.00 C ATOM 325 C PHE A 21 49.296 27.064 27.907 1.00 0.00 C ATOM 326 O PHE A 21 49.104 27.557 26.796 1.00 0.00 O ATOM 327 CB PHE A 21 46.848 26.553 27.955 1.00 0.00 C ATOM 328 CG PHE A 21 45.814 25.686 28.585 1.00 0.00 C ATOM 329 CD1 PHE A 21 46.010 24.338 28.768 1.00 0.00 C ATOM 330 CD2 PHE A 21 44.617 26.241 28.976 1.00 0.00 C ATOM 331 CE1 PHE A 21 45.044 23.557 29.355 1.00 0.00 C ATOM 332 CE2 PHE A 21 43.650 25.477 29.587 1.00 0.00 C ATOM 333 CZ PHE A 21 43.872 24.135 29.784 1.00 0.00 C ATOM 0 H PHE A 21 47.461 27.751 30.130 1.00 0.00 H new ATOM 0 HA PHE A 21 48.444 25.396 28.796 1.00 0.00 H new ATOM 0 HB2 PHE A 21 46.507 27.588 27.956 1.00 0.00 H new ATOM 0 HB3 PHE A 21 46.983 26.263 26.913 1.00 0.00 H new ATOM 0 HD1 PHE A 21 46.937 23.886 28.446 1.00 0.00 H new ATOM 0 HD2 PHE A 21 44.434 27.291 28.801 1.00 0.00 H new ATOM 0 HE1 PHE A 21 45.204 22.496 29.479 1.00 0.00 H new ATOM 0 HE2 PHE A 21 42.723 25.928 29.909 1.00 0.00 H new ATOM 0 HZ PHE A 21 43.124 23.532 30.277 1.00 0.00 H new ATOM 343 N LEU A 22 50.541 26.994 28.412 1.00 0.00 N ATOM 344 CA LEU A 22 51.730 27.336 27.695 1.00 0.00 C ATOM 345 C LEU A 22 52.271 26.185 26.919 1.00 0.00 C ATOM 346 O LEU A 22 52.870 26.350 25.857 1.00 0.00 O ATOM 347 CB LEU A 22 52.824 27.886 28.626 1.00 0.00 C ATOM 348 CG LEU A 22 52.386 29.203 29.288 1.00 0.00 C ATOM 349 CD1 LEU A 22 53.423 29.566 30.364 1.00 0.00 C ATOM 350 CD2 LEU A 22 52.203 30.370 28.301 1.00 0.00 C ATOM 0 H LEU A 22 50.727 26.684 29.366 1.00 0.00 H new ATOM 0 HA LEU A 22 51.439 28.119 26.994 1.00 0.00 H new ATOM 0 HB2 LEU A 22 53.054 27.149 29.395 1.00 0.00 H new ATOM 0 HB3 LEU A 22 53.740 28.049 28.058 1.00 0.00 H new ATOM 0 HG LEU A 22 51.400 29.041 29.724 1.00 0.00 H new ATOM 0 HD11 LEU A 22 53.133 30.498 30.849 1.00 0.00 H new ATOM 0 HD12 LEU A 22 53.470 28.770 31.107 1.00 0.00 H new ATOM 0 HD13 LEU A 22 54.402 29.687 29.900 1.00 0.00 H new ATOM 0 HD21 LEU A 22 51.894 31.262 28.846 1.00 0.00 H new ATOM 0 HD22 LEU A 22 53.146 30.565 27.790 1.00 0.00 H new ATOM 0 HD23 LEU A 22 51.440 30.110 27.568 1.00 0.00 H new ATOM 362 N ASP A 23 52.024 24.955 27.404 1.00 0.00 N ATOM 363 CA ASP A 23 52.333 23.764 26.677 1.00 0.00 C ATOM 364 C ASP A 23 51.383 23.554 25.547 1.00 0.00 C ATOM 365 O ASP A 23 51.627 22.787 24.618 1.00 0.00 O ATOM 366 CB ASP A 23 52.268 22.500 27.549 1.00 0.00 C ATOM 367 CG ASP A 23 52.879 22.726 28.925 1.00 0.00 C ATOM 368 OD1 ASP A 23 54.131 22.795 29.046 1.00 0.00 O ATOM 369 OD2 ASP A 23 52.088 22.840 29.900 1.00 0.00 O ATOM 0 H ASP A 23 51.602 24.785 28.317 1.00 0.00 H new ATOM 0 HA ASP A 23 53.351 23.912 26.315 1.00 0.00 H new ATOM 0 HB2 ASP A 23 51.229 22.189 27.660 1.00 0.00 H new ATOM 0 HB3 ASP A 23 52.793 21.686 27.048 1.00 0.00 H new ATOM 374 N HIS A 24 50.217 24.222 25.619 1.00 0.00 N ATOM 375 CA HIS A 24 49.122 24.045 24.717 1.00 0.00 C ATOM 376 C HIS A 24 48.689 25.366 24.178 1.00 0.00 C ATOM 377 O HIS A 24 47.708 25.913 24.677 1.00 0.00 O ATOM 378 CB HIS A 24 47.983 23.347 25.480 1.00 0.00 C ATOM 379 CG HIS A 24 48.336 22.004 26.046 1.00 0.00 C ATOM 380 ND1 HIS A 24 48.769 20.973 25.256 1.00 0.00 N ATOM 381 CD2 HIS A 24 48.262 21.518 27.314 1.00 0.00 C ATOM 382 CE1 HIS A 24 48.941 19.900 26.005 1.00 0.00 C ATOM 383 NE2 HIS A 24 48.652 20.206 27.256 1.00 0.00 N ATOM 0 H HIS A 24 50.030 24.918 26.341 1.00 0.00 H new ATOM 0 HA HIS A 24 49.416 23.428 23.868 1.00 0.00 H new ATOM 0 HB2 HIS A 24 47.659 23.995 26.294 1.00 0.00 H new ATOM 0 HB3 HIS A 24 47.133 23.230 24.808 1.00 0.00 H new ATOM 0 HD2 HIS A 24 47.955 22.061 28.196 1.00 0.00 H new ATOM 0 HE1 HIS A 24 49.265 18.932 25.653 1.00 0.00 H new ATOM 0 HE2 HIS A 24 48.710 19.569 28.051 1.00 0.00 H new ATOM 392 N PRO A 25 49.273 25.974 23.189 1.00 0.00 N ATOM 393 CA PRO A 25 48.879 27.273 22.724 1.00 0.00 C ATOM 394 C PRO A 25 47.645 27.234 21.890 1.00 0.00 C ATOM 395 O PRO A 25 47.127 28.282 21.506 1.00 0.00 O ATOM 396 CB PRO A 25 50.075 27.755 21.906 1.00 0.00 C ATOM 397 CG PRO A 25 50.718 26.463 21.378 1.00 0.00 C ATOM 398 CD PRO A 25 50.497 25.503 22.558 1.00 0.00 C ATOM 0 HA PRO A 25 48.632 27.935 23.554 1.00 0.00 H new ATOM 0 HB2 PRO A 25 49.762 28.406 21.090 1.00 0.00 H new ATOM 0 HB3 PRO A 25 50.773 28.325 22.519 1.00 0.00 H new ATOM 0 HG2 PRO A 25 50.237 26.109 20.466 1.00 0.00 H new ATOM 0 HG3 PRO A 25 51.776 26.595 21.150 1.00 0.00 H new ATOM 0 HD2 PRO A 25 50.396 24.472 22.217 1.00 0.00 H new ATOM 0 HD3 PRO A 25 51.337 25.529 23.253 1.00 0.00 H new ATOM 406 N GLU A 26 47.126 26.029 21.589 1.00 0.00 N ATOM 407 CA GLU A 26 46.041 25.780 20.693 1.00 0.00 C ATOM 408 C GLU A 26 44.714 26.027 21.326 1.00 0.00 C ATOM 409 O GLU A 26 43.756 26.445 20.678 1.00 0.00 O ATOM 410 CB GLU A 26 46.125 24.330 20.187 1.00 0.00 C ATOM 411 CG GLU A 26 47.572 23.857 20.037 1.00 0.00 C ATOM 412 CD GLU A 26 47.703 22.649 19.121 1.00 0.00 C ATOM 413 OE1 GLU A 26 47.106 21.576 19.406 1.00 0.00 O ATOM 414 OE2 GLU A 26 48.392 22.781 18.074 1.00 0.00 O ATOM 0 H GLU A 26 47.492 25.171 22.002 1.00 0.00 H new ATOM 0 HA GLU A 26 46.129 26.476 19.859 1.00 0.00 H new ATOM 0 HB2 GLU A 26 45.599 23.673 20.880 1.00 0.00 H new ATOM 0 HB3 GLU A 26 45.617 24.252 19.226 1.00 0.00 H new ATOM 0 HG2 GLU A 26 48.178 24.673 19.644 1.00 0.00 H new ATOM 0 HG3 GLU A 26 47.972 23.608 21.020 1.00 0.00 H new ATOM 421 N ILE A 27 44.626 25.819 22.651 1.00 0.00 N ATOM 422 CA ILE A 27 43.457 25.941 23.466 1.00 0.00 C ATOM 423 C ILE A 27 42.873 27.311 23.413 1.00 0.00 C ATOM 424 O ILE A 27 41.657 27.494 23.415 1.00 0.00 O ATOM 425 CB ILE A 27 43.741 25.566 24.890 1.00 0.00 C ATOM 426 CG1 ILE A 27 44.772 24.433 25.031 1.00 0.00 C ATOM 427 CG2 ILE A 27 42.453 25.138 25.613 1.00 0.00 C ATOM 428 CD1 ILE A 27 44.486 23.134 24.279 1.00 0.00 C ATOM 0 H ILE A 27 45.442 25.542 23.197 1.00 0.00 H new ATOM 0 HA ILE A 27 42.725 25.245 23.056 1.00 0.00 H new ATOM 0 HB ILE A 27 44.160 26.464 25.345 1.00 0.00 H new ATOM 0 HG12 ILE A 27 45.738 24.811 24.697 1.00 0.00 H new ATOM 0 HG13 ILE A 27 44.871 24.196 26.090 1.00 0.00 H new ATOM 0 HG21 ILE A 27 42.686 24.871 26.644 1.00 0.00 H new ATOM 0 HG22 ILE A 27 41.740 25.962 25.604 1.00 0.00 H new ATOM 0 HG23 ILE A 27 42.019 24.277 25.104 1.00 0.00 H new ATOM 0 HD11 ILE A 27 45.290 22.422 24.464 1.00 0.00 H new ATOM 0 HD12 ILE A 27 43.542 22.714 24.625 1.00 0.00 H new ATOM 0 HD13 ILE A 27 44.422 23.339 23.210 1.00 0.00 H new ATOM 440 N TYR A 28 43.738 28.334 23.286 1.00 0.00 N ATOM 441 CA TYR A 28 43.402 29.714 23.127 1.00 0.00 C ATOM 442 C TYR A 28 42.644 30.024 21.882 1.00 0.00 C ATOM 443 O TYR A 28 41.994 31.063 21.769 1.00 0.00 O ATOM 444 CB TYR A 28 44.683 30.560 23.228 1.00 0.00 C ATOM 445 CG TYR A 28 44.462 31.736 24.115 1.00 0.00 C ATOM 446 CD1 TYR A 28 44.570 31.596 25.479 1.00 0.00 C ATOM 447 CD2 TYR A 28 44.109 32.954 23.586 1.00 0.00 C ATOM 448 CE1 TYR A 28 44.296 32.657 26.311 1.00 0.00 C ATOM 449 CE2 TYR A 28 43.865 34.029 24.409 1.00 0.00 C ATOM 450 CZ TYR A 28 43.949 33.874 25.772 1.00 0.00 C ATOM 451 OH TYR A 28 43.714 34.970 26.629 1.00 0.00 O ATOM 0 H TYR A 28 44.747 28.183 23.295 1.00 0.00 H new ATOM 0 HA TYR A 28 42.716 29.969 23.935 1.00 0.00 H new ATOM 0 HB2 TYR A 28 45.498 29.951 23.618 1.00 0.00 H new ATOM 0 HB3 TYR A 28 44.983 30.897 22.236 1.00 0.00 H new ATOM 0 HD1 TYR A 28 44.872 30.648 25.899 1.00 0.00 H new ATOM 0 HD2 TYR A 28 44.022 33.068 22.516 1.00 0.00 H new ATOM 0 HE1 TYR A 28 44.353 32.535 27.383 1.00 0.00 H new ATOM 0 HE2 TYR A 28 43.609 34.989 23.986 1.00 0.00 H new ATOM 0 HH TYR A 28 43.480 35.758 26.096 1.00 0.00 H new ATOM 461 N ARG A 29 42.681 29.141 20.868 1.00 0.00 N ATOM 462 CA ARG A 29 41.782 29.196 19.757 1.00 0.00 C ATOM 463 C ARG A 29 40.441 28.650 20.108 1.00 0.00 C ATOM 464 O ARG A 29 39.436 29.353 20.018 1.00 0.00 O ATOM 465 CB ARG A 29 42.287 28.381 18.555 1.00 0.00 C ATOM 466 CG ARG A 29 43.568 28.902 17.901 1.00 0.00 C ATOM 467 CD ARG A 29 43.380 30.245 17.191 1.00 0.00 C ATOM 468 NE ARG A 29 44.599 30.469 16.363 1.00 0.00 N ATOM 469 CZ ARG A 29 44.741 30.039 15.076 1.00 0.00 C ATOM 470 NH1 ARG A 29 43.751 29.364 14.422 1.00 0.00 N ATOM 471 NH2 ARG A 29 45.924 30.251 14.429 1.00 0.00 N ATOM 0 H ARG A 29 43.350 28.372 20.819 1.00 0.00 H new ATOM 0 HA ARG A 29 41.718 30.252 19.496 1.00 0.00 H new ATOM 0 HB2 ARG A 29 42.456 27.354 18.879 1.00 0.00 H new ATOM 0 HB3 ARG A 29 41.500 28.352 17.801 1.00 0.00 H new ATOM 0 HG2 ARG A 29 44.341 29.006 18.663 1.00 0.00 H new ATOM 0 HG3 ARG A 29 43.927 28.165 17.182 1.00 0.00 H new ATOM 0 HD2 ARG A 29 42.486 30.231 16.567 1.00 0.00 H new ATOM 0 HD3 ARG A 29 43.251 31.050 17.914 1.00 0.00 H new ATOM 0 HE ARG A 29 45.377 30.976 16.786 1.00 0.00 H new ATOM 0 HH11 ARG A 29 42.870 29.166 14.896 1.00 0.00 H new ATOM 0 HH12 ARG A 29 43.893 29.058 13.459 1.00 0.00 H new ATOM 0 HH21 ARG A 29 46.689 30.726 14.908 1.00 0.00 H new ATOM 0 HH22 ARG A 29 46.043 29.934 13.467 1.00 0.00 H new ATOM 485 N SER A 30 40.373 27.365 20.500 1.00 0.00 N ATOM 486 CA SER A 30 39.169 26.594 20.520 1.00 0.00 C ATOM 487 C SER A 30 38.287 26.859 21.692 1.00 0.00 C ATOM 488 O SER A 30 37.066 26.807 21.551 1.00 0.00 O ATOM 489 CB SER A 30 39.429 25.087 20.364 1.00 0.00 C ATOM 490 OG SER A 30 40.437 24.619 21.250 1.00 0.00 O ATOM 0 H SER A 30 41.190 26.842 20.816 1.00 0.00 H new ATOM 0 HA SER A 30 38.621 26.938 19.643 1.00 0.00 H new ATOM 0 HB2 SER A 30 38.504 24.540 20.548 1.00 0.00 H new ATOM 0 HB3 SER A 30 39.725 24.876 19.336 1.00 0.00 H new ATOM 0 HG SER A 30 40.568 23.657 21.118 1.00 0.00 H new ATOM 496 N PHE A 31 38.844 27.211 22.864 1.00 0.00 N ATOM 497 CA PHE A 31 38.130 27.577 24.050 1.00 0.00 C ATOM 498 C PHE A 31 37.102 28.627 23.812 1.00 0.00 C ATOM 499 O PHE A 31 35.913 28.461 24.083 1.00 0.00 O ATOM 500 CB PHE A 31 39.162 28.016 25.101 1.00 0.00 C ATOM 501 CG PHE A 31 38.694 28.629 26.376 1.00 0.00 C ATOM 502 CD1 PHE A 31 37.475 28.356 26.953 1.00 0.00 C ATOM 503 CD2 PHE A 31 39.540 29.510 27.006 1.00 0.00 C ATOM 504 CE1 PHE A 31 37.086 28.994 28.107 1.00 0.00 C ATOM 505 CE2 PHE A 31 39.158 30.155 28.159 1.00 0.00 C ATOM 506 CZ PHE A 31 37.925 29.900 28.711 1.00 0.00 C ATOM 0 H PHE A 31 39.855 27.242 22.992 1.00 0.00 H new ATOM 0 HA PHE A 31 37.567 26.714 24.407 1.00 0.00 H new ATOM 0 HB2 PHE A 31 39.759 27.141 25.359 1.00 0.00 H new ATOM 0 HB3 PHE A 31 39.833 28.729 24.622 1.00 0.00 H new ATOM 0 HD1 PHE A 31 36.817 27.633 26.494 1.00 0.00 H new ATOM 0 HD2 PHE A 31 40.519 29.698 26.590 1.00 0.00 H new ATOM 0 HE1 PHE A 31 36.119 28.783 28.540 1.00 0.00 H new ATOM 0 HE2 PHE A 31 39.826 30.861 28.630 1.00 0.00 H new ATOM 0 HZ PHE A 31 37.618 30.408 29.613 1.00 0.00 H new ATOM 516 N LEU A 32 37.522 29.770 23.243 1.00 0.00 N ATOM 517 CA LEU A 32 36.673 30.899 23.020 1.00 0.00 C ATOM 518 C LEU A 32 35.732 30.677 21.886 1.00 0.00 C ATOM 519 O LEU A 32 34.577 31.098 21.938 1.00 0.00 O ATOM 520 CB LEU A 32 37.468 32.167 22.669 1.00 0.00 C ATOM 521 CG LEU A 32 38.874 32.265 23.285 1.00 0.00 C ATOM 522 CD1 LEU A 32 39.719 33.199 22.403 1.00 0.00 C ATOM 523 CD2 LEU A 32 38.827 32.717 24.754 1.00 0.00 C ATOM 0 H LEU A 32 38.482 29.914 22.928 1.00 0.00 H new ATOM 0 HA LEU A 32 36.133 31.027 23.958 1.00 0.00 H new ATOM 0 HB2 LEU A 32 37.562 32.226 21.585 1.00 0.00 H new ATOM 0 HB3 LEU A 32 36.891 33.035 22.987 1.00 0.00 H new ATOM 0 HG LEU A 32 39.339 31.279 23.307 1.00 0.00 H new ATOM 0 HD11 LEU A 32 40.722 33.284 22.820 1.00 0.00 H new ATOM 0 HD12 LEU A 32 39.779 32.791 21.394 1.00 0.00 H new ATOM 0 HD13 LEU A 32 39.255 34.185 22.368 1.00 0.00 H new ATOM 0 HD21 LEU A 32 39.841 32.773 25.150 1.00 0.00 H new ATOM 0 HD22 LEU A 32 38.358 33.699 24.818 1.00 0.00 H new ATOM 0 HD23 LEU A 32 38.249 32.000 25.337 1.00 0.00 H new ATOM 535 N GLU A 33 36.199 30.003 20.820 1.00 0.00 N ATOM 536 CA GLU A 33 35.422 29.501 19.730 1.00 0.00 C ATOM 537 C GLU A 33 34.180 28.775 20.114 1.00 0.00 C ATOM 538 O GLU A 33 33.116 28.973 19.527 1.00 0.00 O ATOM 539 CB GLU A 33 36.298 28.614 18.830 1.00 0.00 C ATOM 540 CG GLU A 33 36.640 29.211 17.464 1.00 0.00 C ATOM 541 CD GLU A 33 35.516 29.067 16.448 1.00 0.00 C ATOM 542 OE1 GLU A 33 35.033 27.925 16.224 1.00 0.00 O ATOM 543 OE2 GLU A 33 35.106 30.086 15.831 1.00 0.00 O ATOM 0 H GLU A 33 37.192 29.795 20.714 1.00 0.00 H new ATOM 0 HA GLU A 33 35.077 30.384 19.192 1.00 0.00 H new ATOM 0 HB2 GLU A 33 37.227 28.395 19.356 1.00 0.00 H new ATOM 0 HB3 GLU A 33 35.787 27.663 18.676 1.00 0.00 H new ATOM 0 HG2 GLU A 33 36.878 30.268 17.586 1.00 0.00 H new ATOM 0 HG3 GLU A 33 37.536 28.725 17.076 1.00 0.00 H new ATOM 550 N ILE A 34 34.237 27.933 21.161 1.00 0.00 N ATOM 551 CA ILE A 34 33.116 27.295 21.780 1.00 0.00 C ATOM 552 C ILE A 34 32.223 28.262 22.477 1.00 0.00 C ATOM 553 O ILE A 34 31.010 28.256 22.271 1.00 0.00 O ATOM 554 CB ILE A 34 33.628 26.209 22.679 1.00 0.00 C ATOM 555 CG1 ILE A 34 34.292 25.074 21.883 1.00 0.00 C ATOM 556 CG2 ILE A 34 32.518 25.641 23.580 1.00 0.00 C ATOM 557 CD1 ILE A 34 35.286 24.271 22.721 1.00 0.00 C ATOM 0 H ILE A 34 35.122 27.682 21.603 1.00 0.00 H new ATOM 0 HA ILE A 34 32.482 26.847 21.014 1.00 0.00 H new ATOM 0 HB ILE A 34 34.384 26.669 23.316 1.00 0.00 H new ATOM 0 HG12 ILE A 34 33.521 24.405 21.500 1.00 0.00 H new ATOM 0 HG13 ILE A 34 34.807 25.494 21.019 1.00 0.00 H new ATOM 0 HG21 ILE A 34 32.931 24.857 24.215 1.00 0.00 H new ATOM 0 HG22 ILE A 34 32.112 26.438 24.204 1.00 0.00 H new ATOM 0 HG23 ILE A 34 31.724 25.225 22.960 1.00 0.00 H new ATOM 0 HD11 ILE A 34 35.725 23.483 22.109 1.00 0.00 H new ATOM 0 HD12 ILE A 34 36.074 24.931 23.082 1.00 0.00 H new ATOM 0 HD13 ILE A 34 34.769 23.825 23.571 1.00 0.00 H new ATOM 569 N LEU A 35 32.728 29.202 23.297 1.00 0.00 N ATOM 570 CA LEU A 35 31.900 30.195 23.906 1.00 0.00 C ATOM 571 C LEU A 35 31.337 31.192 22.952 1.00 0.00 C ATOM 572 O LEU A 35 30.373 31.897 23.245 1.00 0.00 O ATOM 573 CB LEU A 35 32.631 30.958 25.024 1.00 0.00 C ATOM 574 CG LEU A 35 33.601 30.161 25.912 1.00 0.00 C ATOM 575 CD1 LEU A 35 33.750 30.959 27.218 1.00 0.00 C ATOM 576 CD2 LEU A 35 33.180 28.768 26.407 1.00 0.00 C ATOM 0 H LEU A 35 33.716 29.273 23.539 1.00 0.00 H new ATOM 0 HA LEU A 35 31.072 29.620 24.321 1.00 0.00 H new ATOM 0 HB2 LEU A 35 33.189 31.774 24.565 1.00 0.00 H new ATOM 0 HB3 LEU A 35 31.878 31.410 25.670 1.00 0.00 H new ATOM 0 HG LEU A 35 34.472 30.020 25.272 1.00 0.00 H new ATOM 0 HD11 LEU A 35 34.432 30.436 27.888 1.00 0.00 H new ATOM 0 HD12 LEU A 35 34.148 31.949 26.996 1.00 0.00 H new ATOM 0 HD13 LEU A 35 32.776 31.059 27.697 1.00 0.00 H new ATOM 0 HD21 LEU A 35 33.976 28.344 27.019 1.00 0.00 H new ATOM 0 HD22 LEU A 35 32.270 28.853 27.002 1.00 0.00 H new ATOM 0 HD23 LEU A 35 32.995 28.118 25.551 1.00 0.00 H new ATOM 588 N HIS A 36 31.896 31.326 21.736 1.00 0.00 N ATOM 589 CA HIS A 36 31.384 32.144 20.680 1.00 0.00 C ATOM 590 C HIS A 36 30.083 31.666 20.133 1.00 0.00 C ATOM 591 O HIS A 36 29.309 32.478 19.627 1.00 0.00 O ATOM 592 CB HIS A 36 32.369 32.301 19.510 1.00 0.00 C ATOM 593 CG HIS A 36 33.633 33.026 19.866 1.00 0.00 C ATOM 594 ND1 HIS A 36 34.676 33.143 18.985 1.00 0.00 N ATOM 595 CD2 HIS A 36 33.961 33.777 20.952 1.00 0.00 C ATOM 596 CE1 HIS A 36 35.604 33.920 19.512 1.00 0.00 C ATOM 597 NE2 HIS A 36 35.195 34.318 20.703 1.00 0.00 N ATOM 0 H HIS A 36 32.752 30.837 21.476 1.00 0.00 H new ATOM 0 HA HIS A 36 31.230 33.112 21.157 1.00 0.00 H new ATOM 0 HB2 HIS A 36 32.625 31.312 19.130 1.00 0.00 H new ATOM 0 HB3 HIS A 36 31.872 32.835 18.700 1.00 0.00 H new ATOM 0 HD2 HIS A 36 33.363 33.919 21.840 1.00 0.00 H new ATOM 0 HE1 HIS A 36 36.542 34.186 19.047 1.00 0.00 H new ATOM 0 HE2 HIS A 36 35.713 34.929 21.335 1.00 0.00 H new ATOM 606 N THR A 37 29.760 30.367 20.261 1.00 0.00 N ATOM 607 CA THR A 37 28.480 29.783 20.005 1.00 0.00 C ATOM 608 C THR A 37 27.481 30.239 21.011 1.00 0.00 C ATOM 609 O THR A 37 26.316 30.472 20.691 1.00 0.00 O ATOM 610 CB THR A 37 28.594 28.288 19.988 1.00 0.00 C ATOM 611 OG1 THR A 37 29.173 27.865 18.763 1.00 0.00 O ATOM 612 CG2 THR A 37 27.270 27.514 20.119 1.00 0.00 C ATOM 0 H THR A 37 30.445 29.675 20.566 1.00 0.00 H new ATOM 0 HA THR A 37 28.131 30.111 19.026 1.00 0.00 H new ATOM 0 HB THR A 37 29.199 28.063 20.866 1.00 0.00 H new ATOM 0 HG1 THR A 37 29.247 26.888 18.757 1.00 0.00 H new ATOM 0 HG21 THR A 37 27.471 26.443 20.095 1.00 0.00 H new ATOM 0 HG22 THR A 37 26.790 27.772 21.063 1.00 0.00 H new ATOM 0 HG23 THR A 37 26.611 27.778 19.292 1.00 0.00 H new ATOM 620 N TYR A 38 27.913 30.435 22.269 1.00 0.00 N ATOM 621 CA TYR A 38 27.136 30.992 23.333 1.00 0.00 C ATOM 622 C TYR A 38 26.811 32.429 23.109 1.00 0.00 C ATOM 623 O TYR A 38 25.652 32.817 22.985 1.00 0.00 O ATOM 624 CB TYR A 38 27.895 30.830 24.661 1.00 0.00 C ATOM 625 CG TYR A 38 27.082 30.988 25.901 1.00 0.00 C ATOM 626 CD1 TYR A 38 26.852 32.238 26.423 1.00 0.00 C ATOM 627 CD2 TYR A 38 26.699 29.883 26.625 1.00 0.00 C ATOM 628 CE1 TYR A 38 26.261 32.390 27.655 1.00 0.00 C ATOM 629 CE2 TYR A 38 26.083 30.024 27.847 1.00 0.00 C ATOM 630 CZ TYR A 38 25.873 31.279 28.366 1.00 0.00 C ATOM 631 OH TYR A 38 25.292 31.405 29.646 1.00 0.00 O ATOM 0 H TYR A 38 28.859 30.191 22.560 1.00 0.00 H new ATOM 0 HA TYR A 38 26.191 30.450 23.369 1.00 0.00 H new ATOM 0 HB2 TYR A 38 28.355 29.842 24.675 1.00 0.00 H new ATOM 0 HB3 TYR A 38 28.705 31.559 24.685 1.00 0.00 H new ATOM 0 HD1 TYR A 38 27.139 33.113 25.858 1.00 0.00 H new ATOM 0 HD2 TYR A 38 26.884 28.895 26.230 1.00 0.00 H new ATOM 0 HE1 TYR A 38 26.102 33.378 28.062 1.00 0.00 H new ATOM 0 HE2 TYR A 38 25.765 29.151 28.397 1.00 0.00 H new ATOM 0 HH TYR A 38 25.220 32.354 29.881 1.00 0.00 H new ATOM 641 N GLN A 39 27.856 33.272 23.017 1.00 0.00 N ATOM 642 CA GLN A 39 27.805 34.701 23.035 1.00 0.00 C ATOM 643 C GLN A 39 27.156 35.343 21.857 1.00 0.00 C ATOM 644 O GLN A 39 26.727 36.494 21.912 1.00 0.00 O ATOM 645 CB GLN A 39 29.233 35.226 23.257 1.00 0.00 C ATOM 646 CG GLN A 39 29.333 36.415 24.214 1.00 0.00 C ATOM 647 CD GLN A 39 29.697 37.733 23.544 1.00 0.00 C ATOM 648 OE1 GLN A 39 30.782 38.277 23.744 1.00 0.00 O ATOM 649 NE2 GLN A 39 28.763 38.289 22.727 1.00 0.00 N ATOM 0 H GLN A 39 28.811 32.925 22.923 1.00 0.00 H new ATOM 0 HA GLN A 39 27.146 34.984 23.856 1.00 0.00 H new ATOM 0 HB2 GLN A 39 29.849 34.413 23.642 1.00 0.00 H new ATOM 0 HB3 GLN A 39 29.653 35.515 22.294 1.00 0.00 H new ATOM 0 HG2 GLN A 39 28.379 36.534 24.727 1.00 0.00 H new ATOM 0 HG3 GLN A 39 30.079 36.191 24.976 1.00 0.00 H new ATOM 0 HE21 GLN A 39 27.871 37.818 22.578 1.00 0.00 H new ATOM 0 HE22 GLN A 39 28.955 39.177 22.264 1.00 0.00 H new ATOM 898 N SER A 54 22.385 25.395 25.376 1.00 0.00 N ATOM 899 CA SER A 54 22.390 24.886 26.713 1.00 0.00 C ATOM 900 C SER A 54 23.740 25.041 27.323 1.00 0.00 C ATOM 901 O SER A 54 24.766 24.696 26.739 1.00 0.00 O ATOM 902 CB SER A 54 21.860 23.449 26.853 1.00 0.00 C ATOM 903 OG SER A 54 22.696 22.449 26.287 1.00 0.00 O ATOM 0 HA SER A 54 21.675 25.493 27.269 1.00 0.00 H new ATOM 0 HB2 SER A 54 21.720 23.230 27.911 1.00 0.00 H new ATOM 0 HB3 SER A 54 20.878 23.391 26.383 1.00 0.00 H new ATOM 0 HG SER A 54 22.288 21.568 26.420 1.00 0.00 H new ATOM 909 N GLU A 55 23.813 25.585 28.550 1.00 0.00 N ATOM 910 CA GLU A 55 25.013 25.884 29.268 1.00 0.00 C ATOM 911 C GLU A 55 25.883 24.699 29.512 1.00 0.00 C ATOM 912 O GLU A 55 27.108 24.790 29.558 1.00 0.00 O ATOM 913 CB GLU A 55 24.698 26.673 30.551 1.00 0.00 C ATOM 914 CG GLU A 55 23.574 26.147 31.445 1.00 0.00 C ATOM 915 CD GLU A 55 22.183 26.673 31.121 1.00 0.00 C ATOM 916 OE1 GLU A 55 21.657 26.356 30.020 1.00 0.00 O ATOM 917 OE2 GLU A 55 21.578 27.376 31.973 1.00 0.00 O ATOM 0 H GLU A 55 22.975 25.833 29.076 1.00 0.00 H new ATOM 0 HA GLU A 55 25.613 26.525 28.622 1.00 0.00 H new ATOM 0 HB2 GLU A 55 25.608 26.721 31.148 1.00 0.00 H new ATOM 0 HB3 GLU A 55 24.450 27.695 30.265 1.00 0.00 H new ATOM 0 HG2 GLU A 55 23.558 25.059 31.377 1.00 0.00 H new ATOM 0 HG3 GLU A 55 23.807 26.399 32.480 1.00 0.00 H new ATOM 924 N GLU A 56 25.275 23.500 29.573 1.00 0.00 N ATOM 925 CA GLU A 56 25.915 22.222 29.578 1.00 0.00 C ATOM 926 C GLU A 56 26.749 21.894 28.387 1.00 0.00 C ATOM 927 O GLU A 56 27.654 21.068 28.494 1.00 0.00 O ATOM 928 CB GLU A 56 24.835 21.143 29.766 1.00 0.00 C ATOM 929 CG GLU A 56 24.865 20.431 31.120 1.00 0.00 C ATOM 930 CD GLU A 56 25.789 19.224 31.184 1.00 0.00 C ATOM 931 OE1 GLU A 56 25.843 18.435 30.204 1.00 0.00 O ATOM 932 OE2 GLU A 56 26.414 18.984 32.253 1.00 0.00 O ATOM 0 H GLU A 56 24.259 23.421 29.622 1.00 0.00 H new ATOM 0 HA GLU A 56 26.629 22.255 30.401 1.00 0.00 H new ATOM 0 HB2 GLU A 56 23.856 21.603 29.635 1.00 0.00 H new ATOM 0 HB3 GLU A 56 24.945 20.398 28.978 1.00 0.00 H new ATOM 0 HG2 GLU A 56 25.170 21.146 31.884 1.00 0.00 H new ATOM 0 HG3 GLU A 56 23.853 20.111 31.369 1.00 0.00 H new ATOM 939 N GLU A 57 26.521 22.460 27.188 1.00 0.00 N ATOM 940 CA GLU A 57 27.241 22.059 26.019 1.00 0.00 C ATOM 941 C GLU A 57 28.544 22.779 25.958 1.00 0.00 C ATOM 942 O GLU A 57 29.593 22.246 25.596 1.00 0.00 O ATOM 943 CB GLU A 57 26.471 22.170 24.692 1.00 0.00 C ATOM 944 CG GLU A 57 26.881 23.311 23.760 1.00 0.00 C ATOM 945 CD GLU A 57 26.260 23.242 22.372 1.00 0.00 C ATOM 946 OE1 GLU A 57 25.171 22.633 22.199 1.00 0.00 O ATOM 947 OE2 GLU A 57 26.852 23.832 21.428 1.00 0.00 O ATOM 0 H GLU A 57 25.835 23.198 27.028 1.00 0.00 H new ATOM 0 HA GLU A 57 27.407 20.987 26.130 1.00 0.00 H new ATOM 0 HB2 GLU A 57 26.585 21.230 24.152 1.00 0.00 H new ATOM 0 HB3 GLU A 57 25.411 22.280 24.921 1.00 0.00 H new ATOM 0 HG2 GLU A 57 26.604 24.259 24.222 1.00 0.00 H new ATOM 0 HG3 GLU A 57 27.966 23.310 23.660 1.00 0.00 H new ATOM 954 N VAL A 58 28.507 24.073 26.320 1.00 0.00 N ATOM 955 CA VAL A 58 29.631 24.951 26.219 1.00 0.00 C ATOM 956 C VAL A 58 30.685 24.574 27.201 1.00 0.00 C ATOM 957 O VAL A 58 31.880 24.553 26.911 1.00 0.00 O ATOM 958 CB VAL A 58 29.121 26.362 26.242 1.00 0.00 C ATOM 959 CG1 VAL A 58 29.086 27.012 27.635 1.00 0.00 C ATOM 960 CG2 VAL A 58 30.050 27.232 25.379 1.00 0.00 C ATOM 0 H VAL A 58 27.671 24.522 26.694 1.00 0.00 H new ATOM 0 HA VAL A 58 30.162 24.858 25.272 1.00 0.00 H new ATOM 0 HB VAL A 58 28.096 26.308 25.875 1.00 0.00 H new ATOM 0 HG11 VAL A 58 28.704 28.029 27.552 1.00 0.00 H new ATOM 0 HG12 VAL A 58 28.436 26.433 28.291 1.00 0.00 H new ATOM 0 HG13 VAL A 58 30.093 27.035 28.051 1.00 0.00 H new ATOM 0 HG21 VAL A 58 29.693 28.262 25.385 1.00 0.00 H new ATOM 0 HG22 VAL A 58 31.062 27.196 25.783 1.00 0.00 H new ATOM 0 HG23 VAL A 58 30.055 26.855 24.356 1.00 0.00 H new ATOM 970 N PHE A 59 30.208 24.114 28.371 1.00 0.00 N ATOM 971 CA PHE A 59 30.929 23.361 29.350 1.00 0.00 C ATOM 972 C PHE A 59 31.532 22.109 28.811 1.00 0.00 C ATOM 973 O PHE A 59 32.738 21.898 28.930 1.00 0.00 O ATOM 974 CB PHE A 59 29.987 23.040 30.523 1.00 0.00 C ATOM 975 CG PHE A 59 30.647 22.437 31.714 1.00 0.00 C ATOM 976 CD1 PHE A 59 30.954 21.098 31.762 1.00 0.00 C ATOM 977 CD2 PHE A 59 30.930 23.215 32.812 1.00 0.00 C ATOM 978 CE1 PHE A 59 31.577 20.553 32.860 1.00 0.00 C ATOM 979 CE2 PHE A 59 31.538 22.682 33.925 1.00 0.00 C ATOM 980 CZ PHE A 59 31.872 21.348 33.942 1.00 0.00 C ATOM 0 H PHE A 59 29.242 24.282 28.653 1.00 0.00 H new ATOM 0 HA PHE A 59 31.766 23.975 29.683 1.00 0.00 H new ATOM 0 HB2 PHE A 59 29.487 23.959 30.830 1.00 0.00 H new ATOM 0 HB3 PHE A 59 29.213 22.358 30.171 1.00 0.00 H new ATOM 0 HD1 PHE A 59 30.702 20.464 30.925 1.00 0.00 H new ATOM 0 HD2 PHE A 59 30.670 24.263 32.800 1.00 0.00 H new ATOM 0 HE1 PHE A 59 31.834 19.504 32.872 1.00 0.00 H new ATOM 0 HE2 PHE A 59 31.752 23.307 34.780 1.00 0.00 H new ATOM 0 HZ PHE A 59 32.366 20.925 34.805 1.00 0.00 H new ATOM 990 N THR A 60 30.733 21.217 28.200 1.00 0.00 N ATOM 991 CA THR A 60 31.127 19.932 27.709 1.00 0.00 C ATOM 992 C THR A 60 32.313 19.940 26.808 1.00 0.00 C ATOM 993 O THR A 60 33.200 19.093 26.908 1.00 0.00 O ATOM 994 CB THR A 60 30.009 19.129 27.114 1.00 0.00 C ATOM 995 OG1 THR A 60 29.990 17.809 27.638 1.00 0.00 O ATOM 996 CG2 THR A 60 30.028 19.013 25.580 1.00 0.00 C ATOM 0 H THR A 60 29.744 21.407 28.038 1.00 0.00 H new ATOM 0 HA THR A 60 31.438 19.423 28.621 1.00 0.00 H new ATOM 0 HB THR A 60 29.117 19.691 27.391 1.00 0.00 H new ATOM 0 HG1 THR A 60 29.251 17.308 27.235 1.00 0.00 H new ATOM 0 HG21 THR A 60 29.179 18.414 25.250 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.963 20.008 25.139 1.00 0.00 H new ATOM 0 HG23 THR A 60 30.955 18.535 25.263 1.00 0.00 H new ATOM 1004 N GLU A 61 32.370 20.930 25.901 1.00 0.00 N ATOM 1005 CA GLU A 61 33.440 21.074 24.964 1.00 0.00 C ATOM 1006 C GLU A 61 34.686 21.515 25.654 1.00 0.00 C ATOM 1007 O GLU A 61 35.668 20.775 25.630 1.00 0.00 O ATOM 1008 CB GLU A 61 33.017 21.917 23.749 1.00 0.00 C ATOM 1009 CG GLU A 61 31.928 21.293 22.874 1.00 0.00 C ATOM 1010 CD GLU A 61 32.413 20.143 22.003 1.00 0.00 C ATOM 1011 OE1 GLU A 61 32.798 19.066 22.528 1.00 0.00 O ATOM 1012 OE2 GLU A 61 32.346 20.285 20.753 1.00 0.00 O ATOM 0 H GLU A 61 31.653 21.650 25.817 1.00 0.00 H new ATOM 0 HA GLU A 61 33.686 20.103 24.535 1.00 0.00 H new ATOM 0 HB2 GLU A 61 32.666 22.886 24.103 1.00 0.00 H new ATOM 0 HB3 GLU A 61 33.896 22.103 23.131 1.00 0.00 H new ATOM 0 HG2 GLU A 61 31.123 20.934 23.515 1.00 0.00 H new ATOM 0 HG3 GLU A 61 31.504 22.066 22.233 1.00 0.00 H new ATOM 1019 N VAL A 62 34.697 22.641 26.389 1.00 0.00 N ATOM 1020 CA VAL A 62 35.793 23.176 27.137 1.00 0.00 C ATOM 1021 C VAL A 62 36.493 22.206 28.025 1.00 0.00 C ATOM 1022 O VAL A 62 37.708 22.230 28.218 1.00 0.00 O ATOM 1023 CB VAL A 62 35.286 24.325 27.956 1.00 0.00 C ATOM 1024 CG1 VAL A 62 36.346 24.911 28.904 1.00 0.00 C ATOM 1025 CG2 VAL A 62 34.847 25.426 26.977 1.00 0.00 C ATOM 0 H VAL A 62 33.866 23.227 26.466 1.00 0.00 H new ATOM 0 HA VAL A 62 36.542 23.481 26.406 1.00 0.00 H new ATOM 0 HB VAL A 62 34.470 23.961 28.580 1.00 0.00 H new ATOM 0 HG11 VAL A 62 35.913 25.738 29.467 1.00 0.00 H new ATOM 0 HG12 VAL A 62 36.682 24.139 29.596 1.00 0.00 H new ATOM 0 HG13 VAL A 62 37.194 25.272 28.323 1.00 0.00 H new ATOM 0 HG21 VAL A 62 34.471 26.282 27.537 1.00 0.00 H new ATOM 0 HG22 VAL A 62 35.699 25.735 26.371 1.00 0.00 H new ATOM 0 HG23 VAL A 62 34.060 25.043 26.328 1.00 0.00 H new ATOM 1035 N ALA A 63 35.733 21.234 28.560 1.00 0.00 N ATOM 1036 CA ALA A 63 36.211 20.192 29.414 1.00 0.00 C ATOM 1037 C ALA A 63 37.143 19.263 28.717 1.00 0.00 C ATOM 1038 O ALA A 63 38.109 18.770 29.299 1.00 0.00 O ATOM 1039 CB ALA A 63 35.037 19.359 29.958 1.00 0.00 C ATOM 0 H ALA A 63 34.730 21.172 28.387 1.00 0.00 H new ATOM 0 HA ALA A 63 36.747 20.688 30.223 1.00 0.00 H new ATOM 0 HB1 ALA A 63 35.420 18.571 30.606 1.00 0.00 H new ATOM 0 HB2 ALA A 63 34.367 20.003 30.527 1.00 0.00 H new ATOM 0 HB3 ALA A 63 34.492 18.912 29.127 1.00 0.00 H new ATOM 1045 N ASN A 64 36.914 18.996 27.419 1.00 0.00 N ATOM 1046 CA ASN A 64 37.729 18.082 26.681 1.00 0.00 C ATOM 1047 C ASN A 64 39.040 18.680 26.302 1.00 0.00 C ATOM 1048 O ASN A 64 40.054 17.988 26.227 1.00 0.00 O ATOM 1049 CB ASN A 64 36.999 17.385 25.520 1.00 0.00 C ATOM 1050 CG ASN A 64 36.921 18.131 24.195 1.00 0.00 C ATOM 1051 OD1 ASN A 64 37.904 18.270 23.470 1.00 0.00 O ATOM 1052 ND2 ASN A 64 35.701 18.589 23.806 1.00 0.00 N ATOM 0 H ASN A 64 36.159 19.416 26.877 1.00 0.00 H new ATOM 0 HA ASN A 64 37.958 17.266 27.366 1.00 0.00 H new ATOM 0 HB2 ASN A 64 37.489 16.428 25.340 1.00 0.00 H new ATOM 0 HB3 ASN A 64 35.982 17.166 25.844 1.00 0.00 H new ATOM 0 HD21 ASN A 64 35.594 19.054 22.904 1.00 0.00 H new ATOM 0 HD22 ASN A 64 34.893 18.468 24.416 1.00 0.00 H new ATOM 1059 N LEU A 65 39.054 20.009 26.095 1.00 0.00 N ATOM 1060 CA LEU A 65 40.201 20.830 25.866 1.00 0.00 C ATOM 1061 C LEU A 65 41.118 20.885 27.038 1.00 0.00 C ATOM 1062 O LEU A 65 42.339 20.777 26.940 1.00 0.00 O ATOM 1063 CB LEU A 65 39.808 22.291 25.585 1.00 0.00 C ATOM 1064 CG LEU A 65 39.186 22.591 24.211 1.00 0.00 C ATOM 1065 CD1 LEU A 65 37.777 21.996 24.053 1.00 0.00 C ATOM 1066 CD2 LEU A 65 39.083 24.117 24.046 1.00 0.00 C ATOM 0 H LEU A 65 38.190 20.552 26.088 1.00 0.00 H new ATOM 0 HA LEU A 65 40.696 20.369 25.011 1.00 0.00 H new ATOM 0 HB2 LEU A 65 39.102 22.606 26.353 1.00 0.00 H new ATOM 0 HB3 LEU A 65 40.698 22.910 25.697 1.00 0.00 H new ATOM 0 HG LEU A 65 39.827 22.137 23.455 1.00 0.00 H new ATOM 0 HD11 LEU A 65 37.388 22.239 23.064 1.00 0.00 H new ATOM 0 HD12 LEU A 65 37.824 20.913 24.168 1.00 0.00 H new ATOM 0 HD13 LEU A 65 37.118 22.413 24.815 1.00 0.00 H new ATOM 0 HD21 LEU A 65 38.644 24.349 23.076 1.00 0.00 H new ATOM 0 HD22 LEU A 65 38.454 24.527 24.837 1.00 0.00 H new ATOM 0 HD23 LEU A 65 40.078 24.558 24.108 1.00 0.00 H new ATOM 1078 N PHE A 66 40.533 21.113 28.228 1.00 0.00 N ATOM 1079 CA PHE A 66 41.227 21.504 29.416 1.00 0.00 C ATOM 1080 C PHE A 66 41.704 20.320 30.185 1.00 0.00 C ATOM 1081 O PHE A 66 42.530 20.424 31.090 1.00 0.00 O ATOM 1082 CB PHE A 66 40.323 22.332 30.344 1.00 0.00 C ATOM 1083 CG PHE A 66 40.182 23.775 30.000 1.00 0.00 C ATOM 1084 CD1 PHE A 66 40.367 24.306 28.746 1.00 0.00 C ATOM 1085 CD2 PHE A 66 39.840 24.628 31.022 1.00 0.00 C ATOM 1086 CE1 PHE A 66 40.211 25.652 28.512 1.00 0.00 C ATOM 1087 CE2 PHE A 66 39.711 25.981 30.814 1.00 0.00 C ATOM 1088 CZ PHE A 66 39.888 26.493 29.550 1.00 0.00 C ATOM 0 H PHE A 66 39.527 21.020 28.368 1.00 0.00 H new ATOM 0 HA PHE A 66 42.078 22.102 29.089 1.00 0.00 H new ATOM 0 HB2 PHE A 66 39.331 21.881 30.349 1.00 0.00 H new ATOM 0 HB3 PHE A 66 40.712 22.257 31.359 1.00 0.00 H new ATOM 0 HD1 PHE A 66 40.640 23.654 27.929 1.00 0.00 H new ATOM 0 HD2 PHE A 66 39.669 24.227 32.010 1.00 0.00 H new ATOM 0 HE1 PHE A 66 40.342 26.047 27.515 1.00 0.00 H new ATOM 0 HE2 PHE A 66 39.472 26.637 31.638 1.00 0.00 H new ATOM 0 HZ PHE A 66 39.774 27.552 29.374 1.00 0.00 H new ATOM 1098 N ARG A 67 41.149 19.150 29.820 1.00 0.00 N ATOM 1099 CA ARG A 67 41.134 17.886 30.487 1.00 0.00 C ATOM 1100 C ARG A 67 42.339 17.485 31.267 1.00 0.00 C ATOM 1101 O ARG A 67 43.477 17.538 30.806 1.00 0.00 O ATOM 1102 CB ARG A 67 40.705 16.814 29.471 1.00 0.00 C ATOM 1103 CG ARG A 67 39.837 15.713 30.085 1.00 0.00 C ATOM 1104 CD ARG A 67 39.354 14.677 29.068 1.00 0.00 C ATOM 1105 NE ARG A 67 38.456 13.749 29.813 1.00 0.00 N ATOM 1106 CZ ARG A 67 38.544 12.387 29.784 1.00 0.00 C ATOM 1107 NH1 ARG A 67 39.321 11.700 28.896 1.00 0.00 N ATOM 1108 NH2 ARG A 67 37.808 11.684 30.694 1.00 0.00 N ATOM 0 H ARG A 67 40.644 19.089 28.936 1.00 0.00 H new ATOM 0 HA ARG A 67 40.411 17.995 31.295 1.00 0.00 H new ATOM 0 HB2 ARG A 67 40.155 17.291 28.660 1.00 0.00 H new ATOM 0 HB3 ARG A 67 41.595 16.363 29.031 1.00 0.00 H new ATOM 0 HG2 ARG A 67 40.405 15.207 30.866 1.00 0.00 H new ATOM 0 HG3 ARG A 67 38.972 16.169 30.566 1.00 0.00 H new ATOM 0 HD2 ARG A 67 38.822 15.157 28.246 1.00 0.00 H new ATOM 0 HD3 ARG A 67 40.195 14.138 28.632 1.00 0.00 H new ATOM 0 HE ARG A 67 37.721 14.162 30.387 1.00 0.00 H new ATOM 0 HH11 ARG A 67 39.876 12.206 28.206 1.00 0.00 H new ATOM 0 HH12 ARG A 67 39.346 10.681 28.923 1.00 0.00 H new ATOM 0 HH21 ARG A 67 37.219 12.178 31.364 1.00 0.00 H new ATOM 0 HH22 ARG A 67 37.847 10.665 30.704 1.00 0.00 H new ATOM 1122 N GLY A 68 42.101 17.114 32.537 1.00 0.00 N ATOM 1123 CA GLY A 68 43.091 16.972 33.559 1.00 0.00 C ATOM 1124 C GLY A 68 42.864 17.979 34.632 1.00 0.00 C ATOM 1125 O GLY A 68 42.960 17.685 35.823 1.00 0.00 O ATOM 0 H GLY A 68 41.161 16.900 32.870 1.00 0.00 H new ATOM 0 HA2 GLY A 68 43.051 15.967 33.978 1.00 0.00 H new ATOM 0 HA3 GLY A 68 44.086 17.100 33.133 1.00 0.00 H new ATOM 1129 N GLN A 69 42.552 19.235 34.264 1.00 0.00 N ATOM 1130 CA GLN A 69 42.346 20.297 35.199 1.00 0.00 C ATOM 1131 C GLN A 69 40.904 20.549 35.481 1.00 0.00 C ATOM 1132 O GLN A 69 40.207 21.242 34.742 1.00 0.00 O ATOM 1133 CB GLN A 69 42.970 21.612 34.701 1.00 0.00 C ATOM 1134 CG GLN A 69 44.482 21.541 34.479 1.00 0.00 C ATOM 1135 CD GLN A 69 44.987 22.851 33.893 1.00 0.00 C ATOM 1136 OE1 GLN A 69 45.307 23.798 34.610 1.00 0.00 O ATOM 1137 NE2 GLN A 69 45.025 22.927 32.536 1.00 0.00 N ATOM 0 H GLN A 69 42.440 19.519 33.291 1.00 0.00 H new ATOM 0 HA GLN A 69 42.833 19.969 36.118 1.00 0.00 H new ATOM 0 HB2 GLN A 69 42.489 21.898 33.766 1.00 0.00 H new ATOM 0 HB3 GLN A 69 42.756 22.400 35.423 1.00 0.00 H new ATOM 0 HG2 GLN A 69 44.987 21.338 35.423 1.00 0.00 H new ATOM 0 HG3 GLN A 69 44.720 20.717 33.806 1.00 0.00 H new ATOM 0 HE21 GLN A 69 44.753 22.122 31.972 1.00 0.00 H new ATOM 0 HE22 GLN A 69 45.326 23.789 32.082 1.00 0.00 H new ATOM 1146 N GLU A 70 40.393 19.994 36.594 1.00 0.00 N ATOM 1147 CA GLU A 70 39.047 20.160 37.047 1.00 0.00 C ATOM 1148 C GLU A 70 38.859 21.465 37.740 1.00 0.00 C ATOM 1149 O GLU A 70 37.760 22.014 37.796 1.00 0.00 O ATOM 1150 CB GLU A 70 38.663 19.027 38.016 1.00 0.00 C ATOM 1151 CG GLU A 70 38.632 17.630 37.393 1.00 0.00 C ATOM 1152 CD GLU A 70 37.438 17.432 36.470 1.00 0.00 C ATOM 1153 OE1 GLU A 70 36.274 17.509 36.944 1.00 0.00 O ATOM 1154 OE2 GLU A 70 37.640 17.192 35.249 1.00 0.00 O ATOM 0 H GLU A 70 40.947 19.399 37.209 1.00 0.00 H new ATOM 0 HA GLU A 70 38.406 20.133 36.166 1.00 0.00 H new ATOM 0 HB2 GLU A 70 39.370 19.023 38.846 1.00 0.00 H new ATOM 0 HB3 GLU A 70 37.680 19.244 38.435 1.00 0.00 H new ATOM 0 HG2 GLU A 70 39.552 17.465 36.833 1.00 0.00 H new ATOM 0 HG3 GLU A 70 38.603 16.882 38.186 1.00 0.00 H new ATOM 1161 N ASP A 71 39.948 22.038 38.282 1.00 0.00 N ATOM 1162 CA ASP A 71 40.009 23.244 39.049 1.00 0.00 C ATOM 1163 C ASP A 71 39.690 24.461 38.250 1.00 0.00 C ATOM 1164 O ASP A 71 39.131 25.431 38.757 1.00 0.00 O ATOM 1165 CB ASP A 71 41.366 23.335 39.768 1.00 0.00 C ATOM 1166 CG ASP A 71 42.563 22.992 38.894 1.00 0.00 C ATOM 1167 OD1 ASP A 71 42.690 21.805 38.491 1.00 0.00 O ATOM 1168 OD2 ASP A 71 43.408 23.895 38.651 1.00 0.00 O ATOM 0 H ASP A 71 40.870 21.617 38.172 1.00 0.00 H new ATOM 0 HA ASP A 71 39.226 23.203 39.806 1.00 0.00 H new ATOM 0 HB2 ASP A 71 41.492 24.346 40.155 1.00 0.00 H new ATOM 0 HB3 ASP A 71 41.354 22.664 40.627 1.00 0.00 H new ATOM 1173 N LEU A 72 39.960 24.445 36.933 1.00 0.00 N ATOM 1174 CA LEU A 72 39.519 25.478 36.047 1.00 0.00 C ATOM 1175 C LEU A 72 38.041 25.491 35.857 1.00 0.00 C ATOM 1176 O LEU A 72 37.407 26.543 35.909 1.00 0.00 O ATOM 1177 CB LEU A 72 40.252 25.376 34.699 1.00 0.00 C ATOM 1178 CG LEU A 72 41.785 25.462 34.794 1.00 0.00 C ATOM 1179 CD1 LEU A 72 42.402 25.326 33.392 1.00 0.00 C ATOM 1180 CD2 LEU A 72 42.297 26.760 35.442 1.00 0.00 C ATOM 0 H LEU A 72 40.492 23.705 36.476 1.00 0.00 H new ATOM 0 HA LEU A 72 39.771 26.429 36.516 1.00 0.00 H new ATOM 0 HB2 LEU A 72 39.983 24.432 34.225 1.00 0.00 H new ATOM 0 HB3 LEU A 72 39.897 26.173 34.046 1.00 0.00 H new ATOM 0 HG LEU A 72 42.093 24.641 35.442 1.00 0.00 H new ATOM 0 HD11 LEU A 72 43.488 25.388 33.465 1.00 0.00 H new ATOM 0 HD12 LEU A 72 42.121 24.364 32.963 1.00 0.00 H new ATOM 0 HD13 LEU A 72 42.035 26.130 32.753 1.00 0.00 H new ATOM 0 HD21 LEU A 72 43.386 26.746 35.473 1.00 0.00 H new ATOM 0 HD22 LEU A 72 41.962 27.616 34.856 1.00 0.00 H new ATOM 0 HD23 LEU A 72 41.906 26.839 36.456 1.00 0.00 H new ATOM 1192 N LEU A 73 37.377 24.334 35.678 1.00 0.00 N ATOM 1193 CA LEU A 73 35.964 24.216 35.493 1.00 0.00 C ATOM 1194 C LEU A 73 35.183 24.547 36.718 1.00 0.00 C ATOM 1195 O LEU A 73 33.994 24.859 36.697 1.00 0.00 O ATOM 1196 CB LEU A 73 35.547 22.812 35.020 1.00 0.00 C ATOM 1197 CG LEU A 73 35.799 22.521 33.532 1.00 0.00 C ATOM 1198 CD1 LEU A 73 35.029 23.464 32.592 1.00 0.00 C ATOM 1199 CD2 LEU A 73 37.301 22.500 33.199 1.00 0.00 C ATOM 0 H LEU A 73 37.853 23.432 35.662 1.00 0.00 H new ATOM 0 HA LEU A 73 35.732 24.947 34.718 1.00 0.00 H new ATOM 0 HB2 LEU A 73 36.083 22.072 35.614 1.00 0.00 H new ATOM 0 HB3 LEU A 73 34.485 22.677 35.225 1.00 0.00 H new ATOM 0 HG LEU A 73 35.404 21.521 33.354 1.00 0.00 H new ATOM 0 HD11 LEU A 73 35.250 23.206 31.556 1.00 0.00 H new ATOM 0 HD12 LEU A 73 33.959 23.362 32.771 1.00 0.00 H new ATOM 0 HD13 LEU A 73 35.332 24.494 32.782 1.00 0.00 H new ATOM 0 HD21 LEU A 73 37.435 22.291 32.138 1.00 0.00 H new ATOM 0 HD22 LEU A 73 37.740 23.469 33.437 1.00 0.00 H new ATOM 0 HD23 LEU A 73 37.793 21.725 33.787 1.00 0.00 H new ATOM 1211 N SER A 74 35.877 24.518 37.870 1.00 0.00 N ATOM 1212 CA SER A 74 35.391 24.992 39.129 1.00 0.00 C ATOM 1213 C SER A 74 35.066 26.446 39.094 1.00 0.00 C ATOM 1214 O SER A 74 33.956 26.870 39.410 1.00 0.00 O ATOM 1215 CB SER A 74 36.322 24.673 40.312 1.00 0.00 C ATOM 1216 OG SER A 74 35.632 24.782 41.548 1.00 0.00 O ATOM 0 H SER A 74 36.825 24.145 37.926 1.00 0.00 H new ATOM 0 HA SER A 74 34.468 24.437 39.300 1.00 0.00 H new ATOM 0 HB2 SER A 74 36.722 23.665 40.203 1.00 0.00 H new ATOM 0 HB3 SER A 74 37.172 25.356 40.305 1.00 0.00 H new ATOM 0 HG SER A 74 36.244 24.573 42.284 1.00 0.00 H new ATOM 1222 N GLU A 75 36.007 27.275 38.607 1.00 0.00 N ATOM 1223 CA GLU A 75 35.812 28.672 38.375 1.00 0.00 C ATOM 1224 C GLU A 75 34.911 28.987 37.230 1.00 0.00 C ATOM 1225 O GLU A 75 34.315 30.063 37.190 1.00 0.00 O ATOM 1226 CB GLU A 75 37.140 29.414 38.150 1.00 0.00 C ATOM 1227 CG GLU A 75 37.949 29.644 39.428 1.00 0.00 C ATOM 1228 CD GLU A 75 39.159 30.520 39.140 1.00 0.00 C ATOM 1229 OE1 GLU A 75 40.173 29.997 38.604 1.00 0.00 O ATOM 1230 OE2 GLU A 75 39.113 31.744 39.439 1.00 0.00 O ATOM 0 H GLU A 75 36.945 26.957 38.364 1.00 0.00 H new ATOM 0 HA GLU A 75 35.331 29.017 39.290 1.00 0.00 H new ATOM 0 HB2 GLU A 75 37.747 28.846 37.445 1.00 0.00 H new ATOM 0 HB3 GLU A 75 36.932 30.378 37.686 1.00 0.00 H new ATOM 0 HG2 GLU A 75 37.321 30.117 40.183 1.00 0.00 H new ATOM 0 HG3 GLU A 75 38.274 28.687 39.837 1.00 0.00 H new ATOM 1237 N PHE A 76 34.714 28.052 36.285 1.00 0.00 N ATOM 1238 CA PHE A 76 33.782 28.198 35.209 1.00 0.00 C ATOM 1239 C PHE A 76 32.376 28.274 35.696 1.00 0.00 C ATOM 1240 O PHE A 76 31.525 28.950 35.120 1.00 0.00 O ATOM 1241 CB PHE A 76 33.936 27.015 34.238 1.00 0.00 C ATOM 1242 CG PHE A 76 33.369 27.233 32.876 1.00 0.00 C ATOM 1243 CD1 PHE A 76 34.078 27.936 31.932 1.00 0.00 C ATOM 1244 CD2 PHE A 76 32.195 26.619 32.507 1.00 0.00 C ATOM 1245 CE1 PHE A 76 33.665 27.964 30.621 1.00 0.00 C ATOM 1246 CE2 PHE A 76 31.773 26.641 31.198 1.00 0.00 C ATOM 1247 CZ PHE A 76 32.521 27.298 30.249 1.00 0.00 C ATOM 0 H PHE A 76 35.219 27.166 36.268 1.00 0.00 H new ATOM 0 HA PHE A 76 34.002 29.135 34.698 1.00 0.00 H new ATOM 0 HB2 PHE A 76 34.996 26.782 34.140 1.00 0.00 H new ATOM 0 HB3 PHE A 76 33.457 26.140 34.678 1.00 0.00 H new ATOM 0 HD1 PHE A 76 34.969 28.472 32.223 1.00 0.00 H new ATOM 0 HD2 PHE A 76 31.598 26.114 33.253 1.00 0.00 H new ATOM 0 HE1 PHE A 76 34.238 28.508 29.885 1.00 0.00 H new ATOM 0 HE2 PHE A 76 30.857 26.144 30.916 1.00 0.00 H new ATOM 0 HZ PHE A 76 32.211 27.291 29.215 1.00 0.00 H new ATOM 1257 N GLY A 77 32.105 27.637 36.848 1.00 0.00 N ATOM 1258 CA GLY A 77 30.828 27.540 37.485 1.00 0.00 C ATOM 1259 C GLY A 77 30.259 28.833 37.958 1.00 0.00 C ATOM 1260 O GLY A 77 29.055 28.947 38.186 1.00 0.00 O ATOM 0 H GLY A 77 32.834 27.154 37.373 1.00 0.00 H new ATOM 0 HA2 GLY A 77 30.125 27.085 36.788 1.00 0.00 H new ATOM 0 HA3 GLY A 77 30.914 26.865 38.337 1.00 0.00 H new ATOM 1264 N GLN A 78 31.105 29.868 38.112 1.00 0.00 N ATOM 1265 CA GLN A 78 30.715 31.195 38.472 1.00 0.00 C ATOM 1266 C GLN A 78 30.010 31.902 37.366 1.00 0.00 C ATOM 1267 O GLN A 78 29.086 32.682 37.589 1.00 0.00 O ATOM 1268 CB GLN A 78 31.960 32.037 38.801 1.00 0.00 C ATOM 1269 CG GLN A 78 32.816 31.395 39.894 1.00 0.00 C ATOM 1270 CD GLN A 78 34.068 32.227 40.137 1.00 0.00 C ATOM 1271 OE1 GLN A 78 34.236 32.874 41.169 1.00 0.00 O ATOM 1272 NE2 GLN A 78 34.976 32.214 39.126 1.00 0.00 N ATOM 0 H GLN A 78 32.112 29.773 37.978 1.00 0.00 H new ATOM 0 HA GLN A 78 30.047 31.093 39.328 1.00 0.00 H new ATOM 0 HB2 GLN A 78 32.559 32.165 37.900 1.00 0.00 H new ATOM 0 HB3 GLN A 78 31.650 33.032 39.121 1.00 0.00 H new ATOM 0 HG2 GLN A 78 32.240 31.313 40.816 1.00 0.00 H new ATOM 0 HG3 GLN A 78 33.094 30.383 39.601 1.00 0.00 H new ATOM 0 HE21 GLN A 78 34.797 31.663 38.287 1.00 0.00 H new ATOM 0 HE22 GLN A 78 35.837 32.755 39.207 1.00 0.00 H new ATOM 1466 N ASN B 201 28.232 36.065 33.585 1.00 0.00 N ATOM 1467 CA ASN B 201 27.780 35.137 32.595 1.00 0.00 C ATOM 1468 C ASN B 201 28.957 34.832 31.734 1.00 0.00 C ATOM 1469 O ASN B 201 30.007 35.461 31.860 1.00 0.00 O ATOM 1470 CB ASN B 201 26.611 35.763 31.817 1.00 0.00 C ATOM 1471 CG ASN B 201 25.652 34.716 31.270 1.00 0.00 C ATOM 1472 OD1 ASN B 201 26.047 33.764 30.599 1.00 0.00 O ATOM 1473 ND2 ASN B 201 24.332 34.896 31.547 1.00 0.00 N ATOM 0 HA ASN B 201 27.403 34.208 33.023 1.00 0.00 H new ATOM 0 HB2 ASN B 201 26.066 36.444 32.471 1.00 0.00 H new ATOM 0 HB3 ASN B 201 27.004 36.358 30.993 1.00 0.00 H new ATOM 0 HD21 ASN B 201 23.642 34.232 31.195 1.00 0.00 H new ATOM 0 HD22 ASN B 201 24.033 35.695 32.106 1.00 0.00 H new ATOM 1480 N ILE B 202 28.857 33.876 30.793 1.00 0.00 N ATOM 1481 CA ILE B 202 29.931 33.461 29.945 1.00 0.00 C ATOM 1482 C ILE B 202 30.423 34.527 29.027 1.00 0.00 C ATOM 1483 O ILE B 202 31.592 34.521 28.640 1.00 0.00 O ATOM 1484 CB ILE B 202 29.658 32.132 29.305 1.00 0.00 C ATOM 1485 CG1 ILE B 202 30.315 31.056 30.186 1.00 0.00 C ATOM 1486 CG2 ILE B 202 30.101 32.040 27.835 1.00 0.00 C ATOM 1487 CD1 ILE B 202 30.093 29.615 29.732 1.00 0.00 C ATOM 0 H ILE B 202 27.989 33.370 30.616 1.00 0.00 H new ATOM 0 HA ILE B 202 30.794 33.290 30.588 1.00 0.00 H new ATOM 0 HB ILE B 202 28.580 31.980 29.253 1.00 0.00 H new ATOM 0 HG12 ILE B 202 31.388 31.246 30.224 1.00 0.00 H new ATOM 0 HG13 ILE B 202 29.936 31.162 31.203 1.00 0.00 H new ATOM 0 HG21 ILE B 202 29.869 31.049 27.446 1.00 0.00 H new ATOM 0 HG22 ILE B 202 29.574 32.792 27.248 1.00 0.00 H new ATOM 0 HG23 ILE B 202 31.175 32.214 27.767 1.00 0.00 H new ATOM 0 HD11 ILE B 202 30.596 28.935 30.420 1.00 0.00 H new ATOM 0 HD12 ILE B 202 29.025 29.397 29.723 1.00 0.00 H new ATOM 0 HD13 ILE B 202 30.499 29.483 28.729 1.00 0.00 H new ATOM 1499 N GLN B 203 29.606 35.556 28.744 1.00 0.00 N ATOM 1500 CA GLN B 203 29.988 36.792 28.136 1.00 0.00 C ATOM 1501 C GLN B 203 31.239 37.422 28.647 1.00 0.00 C ATOM 1502 O GLN B 203 31.997 38.041 27.903 1.00 0.00 O ATOM 1503 CB GLN B 203 28.845 37.820 28.188 1.00 0.00 C ATOM 1504 CG GLN B 203 28.424 38.320 29.571 1.00 0.00 C ATOM 1505 CD GLN B 203 28.725 39.782 29.866 1.00 0.00 C ATOM 1506 OE1 GLN B 203 29.983 40.232 29.613 1.00 0.00 O flip ATOM 1507 NE2 GLN B 203 27.861 40.524 30.330 1.00 0.00 N flip ATOM 0 H GLN B 203 28.609 35.521 28.955 1.00 0.00 H new ATOM 0 HA GLN B 203 30.207 36.502 27.108 1.00 0.00 H new ATOM 0 HB2 GLN B 203 29.138 38.683 27.590 1.00 0.00 H new ATOM 0 HB3 GLN B 203 27.972 37.380 27.706 1.00 0.00 H new ATOM 0 HG2 GLN B 203 27.352 38.159 29.684 1.00 0.00 H new ATOM 0 HG3 GLN B 203 28.919 37.707 30.324 1.00 0.00 H new ATOM 0 HE21 GLN B 203 26.924 40.164 30.512 1.00 0.00 H new ATOM 0 HE22 GLN B 203 28.081 41.499 30.533 1.00 0.00 H new ATOM 1516 N MET B 204 31.531 37.252 29.949 1.00 0.00 N ATOM 1517 CA MET B 204 32.712 37.726 30.600 1.00 0.00 C ATOM 1518 C MET B 204 33.968 37.107 30.092 1.00 0.00 C ATOM 1519 O MET B 204 35.021 37.744 30.093 1.00 0.00 O ATOM 1520 CB MET B 204 32.621 37.507 32.120 1.00 0.00 C ATOM 1521 CG MET B 204 31.502 38.330 32.762 1.00 0.00 C ATOM 1522 SD MET B 204 31.807 40.122 32.744 1.00 0.00 S ATOM 1523 CE MET B 204 32.243 40.192 34.505 1.00 0.00 C ATOM 0 H MET B 204 30.906 36.755 30.583 1.00 0.00 H new ATOM 0 HA MET B 204 32.762 38.790 30.371 1.00 0.00 H new ATOM 0 HB2 MET B 204 32.452 36.449 32.322 1.00 0.00 H new ATOM 0 HB3 MET B 204 33.573 37.772 32.580 1.00 0.00 H new ATOM 0 HG2 MET B 204 30.567 38.125 32.240 1.00 0.00 H new ATOM 0 HG3 MET B 204 31.370 38.004 33.794 1.00 0.00 H new ATOM 0 HE1 MET B 204 32.452 41.224 34.787 1.00 0.00 H new ATOM 0 HE2 MET B 204 31.412 39.814 35.101 1.00 0.00 H new ATOM 0 HE3 MET B 204 33.127 39.581 34.686 1.00 0.00 H new ATOM 1533 N LEU B 205 33.931 35.858 29.595 1.00 0.00 N ATOM 1534 CA LEU B 205 35.085 35.172 29.103 1.00 0.00 C ATOM 1535 C LEU B 205 35.581 35.641 27.780 1.00 0.00 C ATOM 1536 O LEU B 205 36.787 35.674 27.536 1.00 0.00 O ATOM 1537 CB LEU B 205 34.897 33.646 29.095 1.00 0.00 C ATOM 1538 CG LEU B 205 35.026 32.982 30.477 1.00 0.00 C ATOM 1539 CD1 LEU B 205 34.709 31.479 30.391 1.00 0.00 C ATOM 1540 CD2 LEU B 205 36.431 33.203 31.061 1.00 0.00 C ATOM 0 H LEU B 205 33.073 35.309 29.534 1.00 0.00 H new ATOM 0 HA LEU B 205 35.864 35.430 29.821 1.00 0.00 H new ATOM 0 HB2 LEU B 205 33.914 33.416 28.685 1.00 0.00 H new ATOM 0 HB3 LEU B 205 35.634 33.205 28.423 1.00 0.00 H new ATOM 0 HG LEU B 205 34.301 33.449 31.144 1.00 0.00 H new ATOM 0 HD11 LEU B 205 34.806 31.029 31.379 1.00 0.00 H new ATOM 0 HD12 LEU B 205 33.690 31.342 30.029 1.00 0.00 H new ATOM 0 HD13 LEU B 205 35.406 30.999 29.704 1.00 0.00 H new ATOM 0 HD21 LEU B 205 36.498 32.725 32.038 1.00 0.00 H new ATOM 0 HD22 LEU B 205 37.175 32.770 30.393 1.00 0.00 H new ATOM 0 HD23 LEU B 205 36.617 34.272 31.167 1.00 0.00 H new ATOM 1552 N LEU B 206 34.664 36.086 26.901 1.00 0.00 N ATOM 1553 CA LEU B 206 34.974 36.670 25.634 1.00 0.00 C ATOM 1554 C LEU B 206 35.362 38.099 25.796 1.00 0.00 C ATOM 1555 O LEU B 206 36.029 38.696 24.953 1.00 0.00 O ATOM 1556 CB LEU B 206 33.733 36.519 24.738 1.00 0.00 C ATOM 1557 CG LEU B 206 33.272 35.067 24.532 1.00 0.00 C ATOM 1558 CD1 LEU B 206 34.458 34.144 24.208 1.00 0.00 C ATOM 1559 CD2 LEU B 206 32.418 34.473 25.663 1.00 0.00 C ATOM 0 H LEU B 206 33.662 36.036 27.083 1.00 0.00 H new ATOM 0 HA LEU B 206 35.824 36.166 25.174 1.00 0.00 H new ATOM 0 HB2 LEU B 206 32.913 37.089 25.174 1.00 0.00 H new ATOM 0 HB3 LEU B 206 33.946 36.961 23.765 1.00 0.00 H new ATOM 0 HG LEU B 206 32.601 35.122 23.674 1.00 0.00 H new ATOM 0 HD11 LEU B 206 34.098 33.125 24.068 1.00 0.00 H new ATOM 0 HD12 LEU B 206 34.946 34.485 23.295 1.00 0.00 H new ATOM 0 HD13 LEU B 206 35.172 34.167 25.031 1.00 0.00 H new ATOM 0 HD21 LEU B 206 32.148 33.447 25.415 1.00 0.00 H new ATOM 0 HD22 LEU B 206 32.987 34.484 26.593 1.00 0.00 H new ATOM 0 HD23 LEU B 206 31.512 35.067 25.785 1.00 0.00 H new ATOM 1571 N GLU B 207 34.971 38.723 26.922 1.00 0.00 N ATOM 1572 CA GLU B 207 35.304 40.074 27.254 1.00 0.00 C ATOM 1573 C GLU B 207 36.680 40.134 27.821 1.00 0.00 C ATOM 1574 O GLU B 207 37.542 40.848 27.311 1.00 0.00 O ATOM 1575 CB GLU B 207 34.182 40.576 28.178 1.00 0.00 C ATOM 1576 CG GLU B 207 34.401 41.961 28.789 1.00 0.00 C ATOM 1577 CD GLU B 207 33.252 42.931 28.555 1.00 0.00 C ATOM 1578 OE1 GLU B 207 32.085 42.595 28.892 1.00 0.00 O ATOM 1579 OE2 GLU B 207 33.509 44.056 28.049 1.00 0.00 O ATOM 0 H GLU B 207 34.398 38.266 27.632 1.00 0.00 H new ATOM 0 HA GLU B 207 35.348 40.739 26.391 1.00 0.00 H new ATOM 0 HB2 GLU B 207 33.250 40.591 27.613 1.00 0.00 H new ATOM 0 HB3 GLU B 207 34.053 39.857 28.987 1.00 0.00 H new ATOM 0 HG2 GLU B 207 34.558 41.852 29.862 1.00 0.00 H new ATOM 0 HG3 GLU B 207 35.314 42.389 28.375 1.00 0.00 H new ATOM 1586 N ALA B 208 36.964 39.312 28.847 1.00 0.00 N ATOM 1587 CA ALA B 208 38.257 39.144 29.437 1.00 0.00 C ATOM 1588 C ALA B 208 39.320 38.709 28.489 1.00 0.00 C ATOM 1589 O ALA B 208 40.448 39.195 28.558 1.00 0.00 O ATOM 1590 CB ALA B 208 38.147 38.159 30.614 1.00 0.00 C ATOM 0 H ALA B 208 36.251 38.732 29.290 1.00 0.00 H new ATOM 0 HA ALA B 208 38.573 40.129 29.780 1.00 0.00 H new ATOM 0 HB1 ALA B 208 39.128 38.025 31.069 1.00 0.00 H new ATOM 0 HB2 ALA B 208 37.453 38.555 31.356 1.00 0.00 H new ATOM 0 HB3 ALA B 208 37.781 37.198 30.252 1.00 0.00 H new ATOM 1596 N ALA B 209 39.010 37.818 27.531 1.00 0.00 N ATOM 1597 CA ALA B 209 39.916 37.414 26.500 1.00 0.00 C ATOM 1598 C ALA B 209 40.330 38.499 25.565 1.00 0.00 C ATOM 1599 O ALA B 209 41.520 38.705 25.337 1.00 0.00 O ATOM 1600 CB ALA B 209 39.309 36.264 25.679 1.00 0.00 C ATOM 0 H ALA B 209 38.099 37.363 27.471 1.00 0.00 H new ATOM 0 HA ALA B 209 40.816 37.099 27.028 1.00 0.00 H new ATOM 0 HB1 ALA B 209 40.008 35.966 24.898 1.00 0.00 H new ATOM 0 HB2 ALA B 209 39.112 35.415 26.333 1.00 0.00 H new ATOM 0 HB3 ALA B 209 38.376 36.595 25.223 1.00 0.00 H new ATOM 1606 N ASP B 210 39.389 39.265 24.983 1.00 0.00 N ATOM 1607 CA ASP B 210 39.698 40.324 24.073 1.00 0.00 C ATOM 1608 C ASP B 210 40.384 41.466 24.738 1.00 0.00 C ATOM 1609 O ASP B 210 41.297 42.076 24.185 1.00 0.00 O ATOM 1610 CB ASP B 210 38.427 40.794 23.347 1.00 0.00 C ATOM 1611 CG ASP B 210 38.087 39.869 22.187 1.00 0.00 C ATOM 1612 OD1 ASP B 210 37.823 38.655 22.396 1.00 0.00 O ATOM 1613 OD2 ASP B 210 38.055 40.358 21.026 1.00 0.00 O ATOM 0 H ASP B 210 38.390 39.145 25.149 1.00 0.00 H new ATOM 0 HA ASP B 210 40.398 39.925 23.339 1.00 0.00 H new ATOM 0 HB2 ASP B 210 37.593 40.824 24.049 1.00 0.00 H new ATOM 0 HB3 ASP B 210 38.570 41.809 22.977 1.00 0.00 H new ATOM 1618 N TYR B 211 40.019 41.755 26.000 1.00 0.00 N ATOM 1619 CA TYR B 211 40.712 42.628 26.896 1.00 0.00 C ATOM 1620 C TYR B 211 42.148 42.273 27.073 1.00 0.00 C ATOM 1621 O TYR B 211 43.028 43.109 26.880 1.00 0.00 O ATOM 1622 CB TYR B 211 39.940 42.621 28.226 1.00 0.00 C ATOM 1623 CG TYR B 211 40.599 43.328 29.361 1.00 0.00 C ATOM 1624 CD1 TYR B 211 40.480 44.690 29.505 1.00 0.00 C ATOM 1625 CD2 TYR B 211 41.305 42.608 30.295 1.00 0.00 C ATOM 1626 CE1 TYR B 211 41.047 45.325 30.584 1.00 0.00 C ATOM 1627 CE2 TYR B 211 41.864 43.237 31.383 1.00 0.00 C ATOM 1628 CZ TYR B 211 41.731 44.597 31.530 1.00 0.00 C ATOM 1629 OH TYR B 211 42.277 45.251 32.654 1.00 0.00 O ATOM 0 H TYR B 211 39.183 41.351 26.422 1.00 0.00 H new ATOM 0 HA TYR B 211 40.739 43.633 26.475 1.00 0.00 H new ATOM 0 HB2 TYR B 211 38.962 43.073 28.059 1.00 0.00 H new ATOM 0 HB3 TYR B 211 39.767 41.585 28.519 1.00 0.00 H new ATOM 0 HD1 TYR B 211 39.939 45.263 28.767 1.00 0.00 H new ATOM 0 HD2 TYR B 211 41.422 41.541 30.174 1.00 0.00 H new ATOM 0 HE1 TYR B 211 40.956 46.396 30.689 1.00 0.00 H new ATOM 0 HE2 TYR B 211 42.406 42.663 32.120 1.00 0.00 H new ATOM 0 HH TYR B 211 42.727 44.596 33.227 1.00 0.00 H new ATOM 1639 N LEU B 212 42.457 41.016 27.440 1.00 0.00 N ATOM 1640 CA LEU B 212 43.787 40.557 27.698 1.00 0.00 C ATOM 1641 C LEU B 212 44.666 40.464 26.499 1.00 0.00 C ATOM 1642 O LEU B 212 45.868 40.701 26.607 1.00 0.00 O ATOM 1643 CB LEU B 212 43.762 39.236 28.485 1.00 0.00 C ATOM 1644 CG LEU B 212 43.797 39.381 30.016 1.00 0.00 C ATOM 1645 CD1 LEU B 212 43.569 37.990 30.630 1.00 0.00 C ATOM 1646 CD2 LEU B 212 45.105 40.003 30.533 1.00 0.00 C ATOM 0 H LEU B 212 41.751 40.290 27.562 1.00 0.00 H new ATOM 0 HA LEU B 212 44.247 41.333 28.310 1.00 0.00 H new ATOM 0 HB2 LEU B 212 42.863 38.685 28.209 1.00 0.00 H new ATOM 0 HB3 LEU B 212 44.614 38.631 28.174 1.00 0.00 H new ATOM 0 HG LEU B 212 43.009 40.071 30.317 1.00 0.00 H new ATOM 0 HD11 LEU B 212 43.589 38.064 31.717 1.00 0.00 H new ATOM 0 HD12 LEU B 212 42.600 37.606 30.310 1.00 0.00 H new ATOM 0 HD13 LEU B 212 44.356 37.312 30.298 1.00 0.00 H new ATOM 0 HD21 LEU B 212 45.067 40.078 31.620 1.00 0.00 H new ATOM 0 HD22 LEU B 212 45.947 39.375 30.242 1.00 0.00 H new ATOM 0 HD23 LEU B 212 45.229 40.997 30.104 1.00 0.00 H new ATOM 1658 N GLU B 213 44.124 40.173 25.303 1.00 0.00 N ATOM 1659 CA GLU B 213 44.806 40.262 24.049 1.00 0.00 C ATOM 1660 C GLU B 213 45.336 41.627 23.773 1.00 0.00 C ATOM 1661 O GLU B 213 46.495 41.825 23.411 1.00 0.00 O ATOM 1662 CB GLU B 213 43.886 39.892 22.873 1.00 0.00 C ATOM 1663 CG GLU B 213 43.537 38.409 22.723 1.00 0.00 C ATOM 1664 CD GLU B 213 44.616 37.583 22.037 1.00 0.00 C ATOM 1665 OE1 GLU B 213 45.723 37.411 22.613 1.00 0.00 O ATOM 1666 OE2 GLU B 213 44.366 37.091 20.904 1.00 0.00 O ATOM 0 H GLU B 213 43.158 39.859 25.206 1.00 0.00 H new ATOM 0 HA GLU B 213 45.633 39.557 24.133 1.00 0.00 H new ATOM 0 HB2 GLU B 213 42.957 40.453 22.976 1.00 0.00 H new ATOM 0 HB3 GLU B 213 44.360 40.227 21.950 1.00 0.00 H new ATOM 0 HG2 GLU B 213 43.347 37.990 23.711 1.00 0.00 H new ATOM 0 HG3 GLU B 213 42.611 38.320 22.155 1.00 0.00 H new ATOM 1673 N ARG B 214 44.470 42.638 23.960 1.00 0.00 N ATOM 1674 CA ARG B 214 44.704 44.034 23.755 1.00 0.00 C ATOM 1675 C ARG B 214 45.608 44.644 24.771 1.00 0.00 C ATOM 1676 O ARG B 214 46.387 45.542 24.457 1.00 0.00 O ATOM 1677 CB ARG B 214 43.292 44.644 23.711 1.00 0.00 C ATOM 1678 CG ARG B 214 43.235 46.168 23.590 1.00 0.00 C ATOM 1679 CD ARG B 214 41.830 46.743 23.397 1.00 0.00 C ATOM 1680 NE ARG B 214 41.524 46.696 21.940 1.00 0.00 N ATOM 1681 CZ ARG B 214 40.793 45.734 21.305 1.00 0.00 C ATOM 1682 NH1 ARG B 214 40.041 44.799 21.955 1.00 0.00 N ATOM 1683 NH2 ARG B 214 40.809 45.732 19.940 1.00 0.00 N ATOM 0 H ARG B 214 43.519 42.460 24.284 1.00 0.00 H new ATOM 0 HA ARG B 214 45.253 44.231 22.834 1.00 0.00 H new ATOM 0 HB2 ARG B 214 42.754 44.210 22.868 1.00 0.00 H new ATOM 0 HB3 ARG B 214 42.760 44.349 24.615 1.00 0.00 H new ATOM 0 HG2 ARG B 214 43.672 46.606 24.487 1.00 0.00 H new ATOM 0 HG3 ARG B 214 43.857 46.475 22.749 1.00 0.00 H new ATOM 0 HD2 ARG B 214 41.098 46.165 23.961 1.00 0.00 H new ATOM 0 HD3 ARG B 214 41.781 47.767 23.766 1.00 0.00 H new ATOM 0 HE ARG B 214 41.895 47.452 21.364 1.00 0.00 H new ATOM 0 HH11 ARG B 214 40.003 44.794 22.974 1.00 0.00 H new ATOM 0 HH12 ARG B 214 39.517 44.106 21.422 1.00 0.00 H new ATOM 0 HH21 ARG B 214 41.353 46.432 19.435 1.00 0.00 H new ATOM 0 HH22 ARG B 214 40.277 45.031 19.425 1.00 0.00 H new ATOM 1697 N ARG B 215 45.585 44.143 26.019 1.00 0.00 N ATOM 1698 CA ARG B 215 46.450 44.509 27.097 1.00 0.00 C ATOM 1699 C ARG B 215 47.899 44.260 26.854 1.00 0.00 C ATOM 1700 O ARG B 215 48.746 45.083 27.199 1.00 0.00 O ATOM 1701 CB ARG B 215 46.044 43.823 28.411 1.00 0.00 C ATOM 1702 CG ARG B 215 44.987 44.586 29.213 1.00 0.00 C ATOM 1703 CD ARG B 215 45.521 45.800 29.977 1.00 0.00 C ATOM 1704 NE ARG B 215 46.404 45.285 31.061 1.00 0.00 N ATOM 1705 CZ ARG B 215 46.974 46.094 32.001 1.00 0.00 C ATOM 1706 NH1 ARG B 215 47.005 47.453 31.889 1.00 0.00 N ATOM 1707 NH2 ARG B 215 47.558 45.552 33.110 1.00 0.00 N ATOM 0 H ARG B 215 44.911 43.429 26.293 1.00 0.00 H new ATOM 0 HA ARG B 215 46.322 45.589 27.174 1.00 0.00 H new ATOM 0 HB2 ARG B 215 45.665 42.826 28.186 1.00 0.00 H new ATOM 0 HB3 ARG B 215 46.932 43.694 29.030 1.00 0.00 H new ATOM 0 HG2 ARG B 215 44.203 44.918 28.532 1.00 0.00 H new ATOM 0 HG3 ARG B 215 44.524 43.901 29.923 1.00 0.00 H new ATOM 0 HD2 ARG B 215 46.075 46.461 29.310 1.00 0.00 H new ATOM 0 HD3 ARG B 215 44.700 46.384 30.394 1.00 0.00 H new ATOM 0 HE ARG B 215 46.591 44.283 31.102 1.00 0.00 H new ATOM 0 HH11 ARG B 215 46.590 47.907 31.075 1.00 0.00 H new ATOM 0 HH12 ARG B 215 47.443 48.015 32.619 1.00 0.00 H new ATOM 0 HH21 ARG B 215 47.569 44.540 33.238 1.00 0.00 H new ATOM 0 HH22 ARG B 215 47.983 46.159 33.811 1.00 0.00 H new