USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=12 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 -171:sc= 1.23 USER MOD Set 1.2: B 201 ASN : amide:sc= 0.953 K(o=2.2,f=-4.7!) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= -0.0448 K(o=-0.045,f=-0.87) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 79:sc= 0.908 USER MOD Single : A 24 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.14) USER MOD Single : A 28 TYR OH : rot -169:sc= 0.611 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -1.43 X(o=-1.4,f=-1.6) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0159 X(o=-0.016,f=-0.016) USER MOD Single : A 54 SER OG : rot 170:sc= -0.0883 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.0818 X(o=-0.082,f=-0.11) USER MOD Single : A 69 GLN : amide:sc= -0.0307 X(o=-0.031,f=-0.006) USER MOD Single : A 74 SER OG : rot 63:sc= 0.425 USER MOD Single : A 78 GLN : amide:sc= 0.0183 X(o=0.018,f=0) USER MOD Single : B 203 GLN : amide:sc= -0.377 K(o=-0.38,f=-2.9!) USER MOD Single : B 204 MET CE :methyl 177:sc= -0.258 (180deg=-0.306) USER MOD Single : B 211 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 52 N VAL A 5 34.057 44.574 39.515 1.00 0.00 N ATOM 53 CA VAL A 5 34.804 43.539 40.162 1.00 0.00 C ATOM 54 C VAL A 5 34.716 42.295 39.347 1.00 0.00 C ATOM 55 O VAL A 5 35.704 41.624 39.054 1.00 0.00 O ATOM 56 CB VAL A 5 34.211 43.286 41.517 1.00 0.00 C ATOM 57 CG1 VAL A 5 34.788 42.012 42.158 1.00 0.00 C ATOM 58 CG2 VAL A 5 34.495 44.527 42.378 1.00 0.00 C ATOM 0 HA VAL A 5 35.847 43.839 40.265 1.00 0.00 H new ATOM 0 HB VAL A 5 33.137 43.120 41.434 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.336 41.861 43.138 1.00 0.00 H new ATOM 0 HG12 VAL A 5 34.571 41.154 41.522 1.00 0.00 H new ATOM 0 HG13 VAL A 5 35.867 42.117 42.269 1.00 0.00 H new ATOM 0 HG21 VAL A 5 34.078 44.382 43.375 1.00 0.00 H new ATOM 0 HG22 VAL A 5 35.572 44.679 42.454 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.037 45.402 41.917 1.00 0.00 H new ATOM 68 N GLU A 6 33.495 41.982 38.881 1.00 0.00 N ATOM 69 CA GLU A 6 33.202 40.866 38.036 1.00 0.00 C ATOM 70 C GLU A 6 33.852 40.943 36.698 1.00 0.00 C ATOM 71 O GLU A 6 34.083 39.912 36.067 1.00 0.00 O ATOM 72 CB GLU A 6 31.678 40.675 37.941 1.00 0.00 C ATOM 73 CG GLU A 6 31.168 39.892 39.151 1.00 0.00 C ATOM 74 CD GLU A 6 29.672 40.063 39.384 1.00 0.00 C ATOM 75 OE1 GLU A 6 28.837 39.601 38.561 1.00 0.00 O ATOM 76 OE2 GLU A 6 29.323 40.683 40.422 1.00 0.00 O ATOM 0 H GLU A 6 32.669 42.536 39.105 1.00 0.00 H new ATOM 0 HA GLU A 6 33.639 39.980 38.498 1.00 0.00 H new ATOM 0 HB2 GLU A 6 31.185 41.646 37.893 1.00 0.00 H new ATOM 0 HB3 GLU A 6 31.427 40.144 37.023 1.00 0.00 H new ATOM 0 HG2 GLU A 6 31.390 38.834 39.012 1.00 0.00 H new ATOM 0 HG3 GLU A 6 31.708 40.216 40.041 1.00 0.00 H new ATOM 83 N PHE A 7 34.256 42.145 36.250 1.00 0.00 N ATOM 84 CA PHE A 7 35.134 42.244 35.126 1.00 0.00 C ATOM 85 C PHE A 7 36.446 41.582 35.372 1.00 0.00 C ATOM 86 O PHE A 7 36.889 40.763 34.569 1.00 0.00 O ATOM 87 CB PHE A 7 35.318 43.713 34.706 1.00 0.00 C ATOM 88 CG PHE A 7 36.053 43.862 33.419 1.00 0.00 C ATOM 89 CD1 PHE A 7 35.508 43.385 32.251 1.00 0.00 C ATOM 90 CD2 PHE A 7 37.288 44.466 33.387 1.00 0.00 C ATOM 91 CE1 PHE A 7 36.182 43.514 31.059 1.00 0.00 C ATOM 92 CE2 PHE A 7 37.966 44.602 32.198 1.00 0.00 C ATOM 93 CZ PHE A 7 37.412 44.127 31.032 1.00 0.00 C ATOM 0 H PHE A 7 33.979 43.037 36.659 1.00 0.00 H new ATOM 0 HA PHE A 7 34.665 41.708 34.301 1.00 0.00 H new ATOM 0 HB2 PHE A 7 34.340 44.185 34.616 1.00 0.00 H new ATOM 0 HB3 PHE A 7 35.857 44.245 35.490 1.00 0.00 H new ATOM 0 HD1 PHE A 7 34.541 42.904 32.269 1.00 0.00 H new ATOM 0 HD2 PHE A 7 37.728 44.836 34.301 1.00 0.00 H new ATOM 0 HE1 PHE A 7 35.746 43.135 30.147 1.00 0.00 H new ATOM 0 HE2 PHE A 7 38.933 45.082 32.180 1.00 0.00 H new ATOM 0 HZ PHE A 7 37.942 44.235 30.097 1.00 0.00 H new ATOM 103 N ASN A 8 37.061 41.822 36.544 1.00 0.00 N ATOM 104 CA ASN A 8 38.374 41.404 36.925 1.00 0.00 C ATOM 105 C ASN A 8 38.369 39.977 37.352 1.00 0.00 C ATOM 106 O ASN A 8 39.337 39.245 37.149 1.00 0.00 O ATOM 107 CB ASN A 8 38.935 42.298 38.044 1.00 0.00 C ATOM 108 CG ASN A 8 39.300 43.677 37.512 1.00 0.00 C ATOM 109 OD1 ASN A 8 40.441 43.928 37.126 1.00 0.00 O ATOM 110 ND2 ASN A 8 38.336 44.636 37.497 1.00 0.00 N ATOM 0 H ASN A 8 36.601 42.352 37.284 1.00 0.00 H new ATOM 0 HA ASN A 8 39.023 41.502 36.055 1.00 0.00 H new ATOM 0 HB2 ASN A 8 38.197 42.396 38.840 1.00 0.00 H new ATOM 0 HB3 ASN A 8 39.816 41.829 38.482 1.00 0.00 H new ATOM 0 HD21 ASN A 8 38.555 45.575 37.163 1.00 0.00 H new ATOM 0 HD22 ASN A 8 37.393 44.417 37.819 1.00 0.00 H new ATOM 117 N ASN A 9 37.244 39.489 37.905 1.00 0.00 N ATOM 118 CA ASN A 9 37.026 38.103 38.181 1.00 0.00 C ATOM 119 C ASN A 9 36.825 37.295 36.946 1.00 0.00 C ATOM 120 O ASN A 9 37.100 36.096 36.921 1.00 0.00 O ATOM 121 CB ASN A 9 35.807 37.865 39.088 1.00 0.00 C ATOM 122 CG ASN A 9 36.012 38.492 40.459 1.00 0.00 C ATOM 123 OD1 ASN A 9 37.104 38.894 40.859 1.00 0.00 O ATOM 124 ND2 ASN A 9 34.898 38.541 41.237 1.00 0.00 N ATOM 0 H ASN A 9 36.457 40.082 38.170 1.00 0.00 H new ATOM 0 HA ASN A 9 37.936 37.784 38.689 1.00 0.00 H new ATOM 0 HB2 ASN A 9 34.916 38.286 38.622 1.00 0.00 H new ATOM 0 HB3 ASN A 9 35.635 36.794 39.197 1.00 0.00 H new ATOM 0 HD21 ASN A 9 34.953 38.919 42.183 1.00 0.00 H new ATOM 0 HD22 ASN A 9 34.008 38.199 40.875 1.00 0.00 H new ATOM 131 N ALA A 10 36.345 37.918 35.854 1.00 0.00 N ATOM 132 CA ALA A 10 36.372 37.340 34.547 1.00 0.00 C ATOM 133 C ALA A 10 37.765 37.240 34.027 1.00 0.00 C ATOM 134 O ALA A 10 38.175 36.176 33.569 1.00 0.00 O ATOM 135 CB ALA A 10 35.416 38.065 33.584 1.00 0.00 C ATOM 0 H ALA A 10 35.927 38.848 35.881 1.00 0.00 H new ATOM 0 HA ALA A 10 36.000 36.318 34.623 1.00 0.00 H new ATOM 0 HB1 ALA A 10 35.465 37.596 32.601 1.00 0.00 H new ATOM 0 HB2 ALA A 10 34.397 38.001 33.966 1.00 0.00 H new ATOM 0 HB3 ALA A 10 35.707 39.112 33.502 1.00 0.00 H new ATOM 141 N ILE A 11 38.576 38.308 34.133 1.00 0.00 N ATOM 142 CA ILE A 11 39.947 38.363 33.728 1.00 0.00 C ATOM 143 C ILE A 11 40.812 37.318 34.345 1.00 0.00 C ATOM 144 O ILE A 11 41.551 36.607 33.665 1.00 0.00 O ATOM 145 CB ILE A 11 40.617 39.665 34.052 1.00 0.00 C ATOM 146 CG1 ILE A 11 39.859 40.907 33.552 1.00 0.00 C ATOM 147 CG2 ILE A 11 42.019 39.761 33.428 1.00 0.00 C ATOM 148 CD1 ILE A 11 39.301 40.805 32.133 1.00 0.00 C ATOM 0 H ILE A 11 38.252 39.191 34.528 1.00 0.00 H new ATOM 0 HA ILE A 11 39.866 38.212 32.652 1.00 0.00 H new ATOM 0 HB ILE A 11 40.649 39.663 35.142 1.00 0.00 H new ATOM 0 HG12 ILE A 11 39.034 41.108 34.235 1.00 0.00 H new ATOM 0 HG13 ILE A 11 40.529 41.765 33.600 1.00 0.00 H new ATOM 0 HG21 ILE A 11 42.468 40.720 33.688 1.00 0.00 H new ATOM 0 HG22 ILE A 11 42.643 38.953 33.809 1.00 0.00 H new ATOM 0 HG23 ILE A 11 41.941 39.679 32.344 1.00 0.00 H new ATOM 0 HD11 ILE A 11 38.786 41.731 31.877 1.00 0.00 H new ATOM 0 HD12 ILE A 11 40.119 40.639 31.432 1.00 0.00 H new ATOM 0 HD13 ILE A 11 38.600 39.972 32.077 1.00 0.00 H new ATOM 160 N SER A 12 40.741 37.203 35.683 1.00 0.00 N ATOM 161 CA SER A 12 41.563 36.346 36.481 1.00 0.00 C ATOM 162 C SER A 12 41.473 34.898 36.143 1.00 0.00 C ATOM 163 O SER A 12 42.430 34.152 36.346 1.00 0.00 O ATOM 164 CB SER A 12 41.377 36.564 37.993 1.00 0.00 C ATOM 165 OG SER A 12 40.097 36.181 38.474 1.00 0.00 O ATOM 0 H SER A 12 40.073 37.738 36.239 1.00 0.00 H new ATOM 0 HA SER A 12 42.574 36.656 36.216 1.00 0.00 H new ATOM 0 HB2 SER A 12 42.140 35.999 38.529 1.00 0.00 H new ATOM 0 HB3 SER A 12 41.541 37.617 38.222 1.00 0.00 H new ATOM 0 HG SER A 12 40.048 36.344 39.439 1.00 0.00 H new ATOM 171 N TYR A 13 40.346 34.473 35.544 1.00 0.00 N ATOM 172 CA TYR A 13 40.149 33.173 34.979 1.00 0.00 C ATOM 173 C TYR A 13 40.920 32.996 33.717 1.00 0.00 C ATOM 174 O TYR A 13 41.786 32.128 33.629 1.00 0.00 O ATOM 175 CB TYR A 13 38.652 32.918 34.738 1.00 0.00 C ATOM 176 CG TYR A 13 38.304 31.519 34.361 1.00 0.00 C ATOM 177 CD1 TYR A 13 38.925 30.436 34.937 1.00 0.00 C ATOM 178 CD2 TYR A 13 37.306 31.296 33.440 1.00 0.00 C ATOM 179 CE1 TYR A 13 38.539 29.158 34.610 1.00 0.00 C ATOM 180 CE2 TYR A 13 36.932 30.021 33.089 1.00 0.00 C ATOM 181 CZ TYR A 13 37.553 28.943 33.676 1.00 0.00 C ATOM 182 OH TYR A 13 37.246 27.623 33.284 1.00 0.00 O ATOM 0 H TYR A 13 39.525 35.071 35.449 1.00 0.00 H new ATOM 0 HA TYR A 13 40.523 32.441 35.694 1.00 0.00 H new ATOM 0 HB2 TYR A 13 38.104 33.182 35.642 1.00 0.00 H new ATOM 0 HB3 TYR A 13 38.307 33.587 33.950 1.00 0.00 H new ATOM 0 HD1 TYR A 13 39.721 30.590 35.651 1.00 0.00 H new ATOM 0 HD2 TYR A 13 36.807 32.139 32.985 1.00 0.00 H new ATOM 0 HE1 TYR A 13 39.014 28.316 35.091 1.00 0.00 H new ATOM 0 HE2 TYR A 13 36.154 29.866 32.356 1.00 0.00 H new ATOM 0 HH TYR A 13 36.527 27.638 32.618 1.00 0.00 H new ATOM 192 N VAL A 14 40.668 33.832 32.694 1.00 0.00 N ATOM 193 CA VAL A 14 41.298 33.801 31.410 1.00 0.00 C ATOM 194 C VAL A 14 42.778 33.951 31.468 1.00 0.00 C ATOM 195 O VAL A 14 43.526 33.295 30.746 1.00 0.00 O ATOM 196 CB VAL A 14 40.736 34.819 30.461 1.00 0.00 C ATOM 197 CG1 VAL A 14 41.004 34.365 29.017 1.00 0.00 C ATOM 198 CG2 VAL A 14 39.208 34.924 30.606 1.00 0.00 C ATOM 0 H VAL A 14 39.978 34.579 32.770 1.00 0.00 H new ATOM 0 HA VAL A 14 41.075 32.804 31.031 1.00 0.00 H new ATOM 0 HB VAL A 14 41.206 35.776 30.686 1.00 0.00 H new ATOM 0 HG11 VAL A 14 40.598 35.101 28.323 1.00 0.00 H new ATOM 0 HG12 VAL A 14 42.078 34.271 28.859 1.00 0.00 H new ATOM 0 HG13 VAL A 14 40.526 33.401 28.844 1.00 0.00 H new ATOM 0 HG21 VAL A 14 38.827 35.668 29.907 1.00 0.00 H new ATOM 0 HG22 VAL A 14 38.755 33.957 30.389 1.00 0.00 H new ATOM 0 HG23 VAL A 14 38.959 35.221 31.625 1.00 0.00 H new ATOM 208 N ASN A 15 43.296 34.792 32.382 1.00 0.00 N ATOM 209 CA ASN A 15 44.694 34.859 32.674 1.00 0.00 C ATOM 210 C ASN A 15 45.315 33.593 33.156 1.00 0.00 C ATOM 211 O ASN A 15 46.396 33.212 32.709 1.00 0.00 O ATOM 212 CB ASN A 15 44.954 35.975 33.699 1.00 0.00 C ATOM 213 CG ASN A 15 46.439 36.295 33.807 1.00 0.00 C ATOM 214 OD1 ASN A 15 47.084 36.626 32.814 1.00 0.00 O ATOM 215 ND2 ASN A 15 47.007 36.150 35.033 1.00 0.00 N ATOM 0 H ASN A 15 42.730 35.440 32.930 1.00 0.00 H new ATOM 0 HA ASN A 15 45.172 35.067 31.716 1.00 0.00 H new ATOM 0 HB2 ASN A 15 44.407 36.872 33.409 1.00 0.00 H new ATOM 0 HB3 ASN A 15 44.574 35.671 34.674 1.00 0.00 H new ATOM 0 HD21 ASN A 15 48.006 36.318 35.155 1.00 0.00 H new ATOM 0 HD22 ASN A 15 46.435 35.874 35.831 1.00 0.00 H new ATOM 222 N LYS A 16 44.674 32.864 34.088 1.00 0.00 N ATOM 223 CA LYS A 16 45.135 31.595 34.560 1.00 0.00 C ATOM 224 C LYS A 16 45.106 30.544 33.504 1.00 0.00 C ATOM 225 O LYS A 16 46.017 29.724 33.401 1.00 0.00 O ATOM 226 CB LYS A 16 44.312 31.094 35.760 1.00 0.00 C ATOM 227 CG LYS A 16 44.770 31.686 37.094 1.00 0.00 C ATOM 228 CD LYS A 16 44.281 30.868 38.290 1.00 0.00 C ATOM 229 CE LYS A 16 42.805 31.065 38.641 1.00 0.00 C ATOM 230 NZ LYS A 16 42.431 30.130 39.727 1.00 0.00 N ATOM 0 H LYS A 16 43.805 33.168 34.528 1.00 0.00 H new ATOM 0 HA LYS A 16 46.168 31.764 34.865 1.00 0.00 H new ATOM 0 HB2 LYS A 16 43.262 31.342 35.601 1.00 0.00 H new ATOM 0 HB3 LYS A 16 44.379 30.007 35.810 1.00 0.00 H new ATOM 0 HG2 LYS A 16 45.859 31.737 37.112 1.00 0.00 H new ATOM 0 HG3 LYS A 16 44.402 32.708 37.181 1.00 0.00 H new ATOM 0 HD2 LYS A 16 44.453 29.811 38.085 1.00 0.00 H new ATOM 0 HD3 LYS A 16 44.885 31.126 39.160 1.00 0.00 H new ATOM 0 HE2 LYS A 16 42.628 32.094 38.954 1.00 0.00 H new ATOM 0 HE3 LYS A 16 42.184 30.888 37.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 41.428 30.261 39.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 42.586 29.151 39.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 43.016 30.320 40.565 1.00 0.00 H new ATOM 244 N ILE A 17 44.060 30.573 32.660 1.00 0.00 N ATOM 245 CA ILE A 17 43.879 29.835 31.448 1.00 0.00 C ATOM 246 C ILE A 17 45.009 30.001 30.490 1.00 0.00 C ATOM 247 O ILE A 17 45.632 29.018 30.093 1.00 0.00 O ATOM 248 CB ILE A 17 42.530 30.220 30.917 1.00 0.00 C ATOM 249 CG1 ILE A 17 41.460 29.373 31.626 1.00 0.00 C ATOM 250 CG2 ILE A 17 42.372 30.194 29.387 1.00 0.00 C ATOM 251 CD1 ILE A 17 40.024 29.734 31.248 1.00 0.00 C ATOM 0 H ILE A 17 43.259 31.177 32.848 1.00 0.00 H new ATOM 0 HA ILE A 17 43.897 28.760 31.630 1.00 0.00 H new ATOM 0 HB ILE A 17 42.401 31.278 31.147 1.00 0.00 H new ATOM 0 HG12 ILE A 17 41.632 28.322 31.394 1.00 0.00 H new ATOM 0 HG13 ILE A 17 41.579 29.485 32.704 1.00 0.00 H new ATOM 0 HG21 ILE A 17 41.357 30.490 29.121 1.00 0.00 H new ATOM 0 HG22 ILE A 17 43.082 30.887 28.936 1.00 0.00 H new ATOM 0 HG23 ILE A 17 42.564 29.186 29.018 1.00 0.00 H new ATOM 0 HD11 ILE A 17 39.332 29.091 31.791 1.00 0.00 H new ATOM 0 HD12 ILE A 17 39.831 30.775 31.506 1.00 0.00 H new ATOM 0 HD13 ILE A 17 39.884 29.594 30.176 1.00 0.00 H new ATOM 263 N LYS A 18 45.378 31.247 30.145 1.00 0.00 N ATOM 264 CA LYS A 18 46.496 31.556 29.306 1.00 0.00 C ATOM 265 C LYS A 18 47.796 31.100 29.873 1.00 0.00 C ATOM 266 O LYS A 18 48.613 30.512 29.166 1.00 0.00 O ATOM 267 CB LYS A 18 46.599 33.064 29.024 1.00 0.00 C ATOM 268 CG LYS A 18 45.493 33.576 28.098 1.00 0.00 C ATOM 269 CD LYS A 18 45.507 35.095 27.910 1.00 0.00 C ATOM 270 CE LYS A 18 46.670 35.618 27.064 1.00 0.00 C ATOM 271 NZ LYS A 18 46.452 37.029 26.674 1.00 0.00 N ATOM 0 H LYS A 18 44.876 32.076 30.464 1.00 0.00 H new ATOM 0 HA LYS A 18 46.308 31.013 28.380 1.00 0.00 H new ATOM 0 HB2 LYS A 18 46.556 33.608 29.967 1.00 0.00 H new ATOM 0 HB3 LYS A 18 47.569 33.279 28.576 1.00 0.00 H new ATOM 0 HG2 LYS A 18 45.595 33.097 27.124 1.00 0.00 H new ATOM 0 HG3 LYS A 18 44.525 33.277 28.501 1.00 0.00 H new ATOM 0 HD2 LYS A 18 44.570 35.400 27.445 1.00 0.00 H new ATOM 0 HD3 LYS A 18 45.545 35.570 28.890 1.00 0.00 H new ATOM 0 HE2 LYS A 18 47.600 35.532 27.626 1.00 0.00 H new ATOM 0 HE3 LYS A 18 46.779 35.003 26.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 47.255 37.359 26.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 45.576 37.104 26.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 46.371 37.617 27.528 1.00 0.00 H new ATOM 285 N THR A 19 48.031 31.330 31.177 1.00 0.00 N ATOM 286 CA THR A 19 49.223 30.937 31.863 1.00 0.00 C ATOM 287 C THR A 19 49.429 29.462 31.921 1.00 0.00 C ATOM 288 O THR A 19 50.563 28.986 31.909 1.00 0.00 O ATOM 289 CB THR A 19 49.259 31.543 33.234 1.00 0.00 C ATOM 290 OG1 THR A 19 49.180 32.958 33.150 1.00 0.00 O ATOM 291 CG2 THR A 19 50.581 31.243 33.959 1.00 0.00 C ATOM 0 H THR A 19 47.362 31.810 31.779 1.00 0.00 H new ATOM 0 HA THR A 19 50.056 31.323 31.275 1.00 0.00 H new ATOM 0 HB THR A 19 48.416 31.114 33.776 1.00 0.00 H new ATOM 0 HG1 THR A 19 48.250 33.225 32.992 1.00 0.00 H new ATOM 0 HG21 THR A 19 50.565 31.700 34.948 1.00 0.00 H new ATOM 0 HG22 THR A 19 50.704 30.165 34.059 1.00 0.00 H new ATOM 0 HG23 THR A 19 51.412 31.651 33.384 1.00 0.00 H new ATOM 299 N ARG A 20 48.363 28.642 31.933 1.00 0.00 N ATOM 300 CA ARG A 20 48.470 27.224 31.782 1.00 0.00 C ATOM 301 C ARG A 20 48.835 26.775 30.409 1.00 0.00 C ATOM 302 O ARG A 20 49.876 26.152 30.210 1.00 0.00 O ATOM 303 CB ARG A 20 47.158 26.522 32.169 1.00 0.00 C ATOM 304 CG ARG A 20 46.832 26.541 33.664 1.00 0.00 C ATOM 305 CD ARG A 20 47.310 25.322 34.454 1.00 0.00 C ATOM 306 NE ARG A 20 48.764 25.464 34.747 1.00 0.00 N ATOM 307 CZ ARG A 20 49.316 25.382 35.992 1.00 0.00 C ATOM 308 NH1 ARG A 20 48.601 24.996 37.088 1.00 0.00 N ATOM 309 NH2 ARG A 20 50.645 25.667 36.126 1.00 0.00 N ATOM 0 H ARG A 20 47.405 28.972 32.050 1.00 0.00 H new ATOM 0 HA ARG A 20 49.283 26.946 32.453 1.00 0.00 H new ATOM 0 HB2 ARG A 20 46.338 26.993 31.627 1.00 0.00 H new ATOM 0 HB3 ARG A 20 47.206 25.485 31.836 1.00 0.00 H new ATOM 0 HG2 ARG A 20 47.275 27.435 34.104 1.00 0.00 H new ATOM 0 HG3 ARG A 20 45.752 26.629 33.782 1.00 0.00 H new ATOM 0 HD2 ARG A 20 46.747 25.233 35.383 1.00 0.00 H new ATOM 0 HD3 ARG A 20 47.130 24.411 33.883 1.00 0.00 H new ATOM 0 HE ARG A 20 49.391 25.635 33.961 1.00 0.00 H new ATOM 0 HH11 ARG A 20 47.614 24.755 36.994 1.00 0.00 H new ATOM 0 HH12 ARG A 20 49.053 24.948 38.001 1.00 0.00 H new ATOM 0 HH21 ARG A 20 51.195 25.932 35.309 1.00 0.00 H new ATOM 0 HH22 ARG A 20 51.088 25.615 37.043 1.00 0.00 H new ATOM 323 N PHE A 21 47.984 27.041 29.402 1.00 0.00 N ATOM 324 CA PHE A 21 48.168 26.479 28.101 1.00 0.00 C ATOM 325 C PHE A 21 49.143 27.189 27.224 1.00 0.00 C ATOM 326 O PHE A 21 48.974 27.335 26.015 1.00 0.00 O ATOM 327 CB PHE A 21 46.844 26.101 27.415 1.00 0.00 C ATOM 328 CG PHE A 21 45.796 27.155 27.308 1.00 0.00 C ATOM 329 CD1 PHE A 21 46.037 28.393 26.762 1.00 0.00 C ATOM 330 CD2 PHE A 21 44.504 26.810 27.630 1.00 0.00 C ATOM 331 CE1 PHE A 21 45.001 29.259 26.500 1.00 0.00 C ATOM 332 CE2 PHE A 21 43.459 27.655 27.343 1.00 0.00 C ATOM 333 CZ PHE A 21 43.707 28.878 26.765 1.00 0.00 C ATOM 0 H PHE A 21 47.168 27.646 29.489 1.00 0.00 H new ATOM 0 HA PHE A 21 48.677 25.533 28.288 1.00 0.00 H new ATOM 0 HB2 PHE A 21 47.075 25.754 26.408 1.00 0.00 H new ATOM 0 HB3 PHE A 21 46.416 25.255 27.954 1.00 0.00 H new ATOM 0 HD1 PHE A 21 47.051 28.689 26.536 1.00 0.00 H new ATOM 0 HD2 PHE A 21 44.309 25.864 28.114 1.00 0.00 H new ATOM 0 HE1 PHE A 21 45.204 30.236 26.087 1.00 0.00 H new ATOM 0 HE2 PHE A 21 42.446 27.359 27.571 1.00 0.00 H new ATOM 0 HZ PHE A 21 42.887 29.537 26.520 1.00 0.00 H new ATOM 343 N LEU A 22 50.307 27.551 27.792 1.00 0.00 N ATOM 344 CA LEU A 22 51.448 28.069 27.104 1.00 0.00 C ATOM 345 C LEU A 22 52.102 26.997 26.301 1.00 0.00 C ATOM 346 O LEU A 22 52.704 27.234 25.255 1.00 0.00 O ATOM 347 CB LEU A 22 52.466 28.681 28.081 1.00 0.00 C ATOM 348 CG LEU A 22 51.874 29.885 28.835 1.00 0.00 C ATOM 349 CD1 LEU A 22 52.882 30.321 29.912 1.00 0.00 C ATOM 350 CD2 LEU A 22 51.520 31.089 27.946 1.00 0.00 C ATOM 0 H LEU A 22 50.460 27.477 28.798 1.00 0.00 H new ATOM 0 HA LEU A 22 51.099 28.858 26.437 1.00 0.00 H new ATOM 0 HB2 LEU A 22 52.785 27.924 28.797 1.00 0.00 H new ATOM 0 HB3 LEU A 22 53.354 28.995 27.533 1.00 0.00 H new ATOM 0 HG LEU A 22 50.929 29.553 29.264 1.00 0.00 H new ATOM 0 HD11 LEU A 22 52.483 31.175 30.460 1.00 0.00 H new ATOM 0 HD12 LEU A 22 53.056 29.496 30.603 1.00 0.00 H new ATOM 0 HD13 LEU A 22 53.822 30.602 29.438 1.00 0.00 H new ATOM 0 HD21 LEU A 22 51.110 31.889 28.563 1.00 0.00 H new ATOM 0 HD22 LEU A 22 52.418 31.445 27.441 1.00 0.00 H new ATOM 0 HD23 LEU A 22 50.781 30.788 27.204 1.00 0.00 H new ATOM 362 N ASP A 23 51.938 25.751 26.779 1.00 0.00 N ATOM 363 CA ASP A 23 52.297 24.574 26.049 1.00 0.00 C ATOM 364 C ASP A 23 51.232 24.109 25.117 1.00 0.00 C ATOM 365 O ASP A 23 51.429 23.144 24.380 1.00 0.00 O ATOM 366 CB ASP A 23 52.688 23.443 27.013 1.00 0.00 C ATOM 367 CG ASP A 23 54.075 23.647 27.605 1.00 0.00 C ATOM 368 OD1 ASP A 23 54.800 24.604 27.224 1.00 0.00 O ATOM 369 OD2 ASP A 23 54.474 22.800 28.449 1.00 0.00 O ATOM 0 H ASP A 23 51.544 25.556 27.700 1.00 0.00 H new ATOM 0 HA ASP A 23 53.154 24.846 25.432 1.00 0.00 H new ATOM 0 HB2 ASP A 23 51.956 23.385 27.818 1.00 0.00 H new ATOM 0 HB3 ASP A 23 52.657 22.490 26.484 1.00 0.00 H new ATOM 374 N HIS A 24 50.056 24.759 25.065 1.00 0.00 N ATOM 375 CA HIS A 24 49.015 24.360 24.169 1.00 0.00 C ATOM 376 C HIS A 24 48.267 25.526 23.621 1.00 0.00 C ATOM 377 O HIS A 24 47.085 25.662 23.931 1.00 0.00 O ATOM 378 CB HIS A 24 48.075 23.345 24.840 1.00 0.00 C ATOM 379 CG HIS A 24 48.695 22.000 25.075 1.00 0.00 C ATOM 380 ND1 HIS A 24 49.151 21.575 26.296 1.00 0.00 N ATOM 381 CD2 HIS A 24 48.880 20.967 24.209 1.00 0.00 C ATOM 382 CE1 HIS A 24 49.587 20.334 26.185 1.00 0.00 C ATOM 383 NE2 HIS A 24 49.435 19.945 24.933 1.00 0.00 N ATOM 0 H HIS A 24 49.825 25.565 25.646 1.00 0.00 H new ATOM 0 HA HIS A 24 49.487 23.869 23.318 1.00 0.00 H new ATOM 0 HB2 HIS A 24 47.741 23.751 25.795 1.00 0.00 H new ATOM 0 HB3 HIS A 24 47.188 23.221 24.219 1.00 0.00 H new ATOM 0 HD2 HIS A 24 48.637 20.955 23.157 1.00 0.00 H new ATOM 0 HE1 HIS A 24 49.999 19.737 26.985 1.00 0.00 H new ATOM 0 HE2 HIS A 24 49.690 19.029 24.563 1.00 0.00 H new ATOM 392 N PRO A 25 48.781 26.359 22.766 1.00 0.00 N ATOM 393 CA PRO A 25 48.104 27.533 22.296 1.00 0.00 C ATOM 394 C PRO A 25 46.995 27.230 21.347 1.00 0.00 C ATOM 395 O PRO A 25 46.225 28.127 21.008 1.00 0.00 O ATOM 396 CB PRO A 25 49.199 28.349 21.613 1.00 0.00 C ATOM 397 CG PRO A 25 50.189 27.290 21.102 1.00 0.00 C ATOM 398 CD PRO A 25 50.129 26.246 22.227 1.00 0.00 C ATOM 0 HA PRO A 25 47.621 28.062 23.117 1.00 0.00 H new ATOM 0 HB2 PRO A 25 48.799 28.948 20.795 1.00 0.00 H new ATOM 0 HB3 PRO A 25 49.676 29.038 22.310 1.00 0.00 H new ATOM 0 HG2 PRO A 25 49.886 26.875 20.141 1.00 0.00 H new ATOM 0 HG3 PRO A 25 51.192 27.695 20.972 1.00 0.00 H new ATOM 0 HD2 PRO A 25 50.320 25.243 21.846 1.00 0.00 H new ATOM 0 HD3 PRO A 25 50.879 26.445 22.992 1.00 0.00 H new ATOM 406 N GLU A 26 46.826 25.958 20.941 1.00 0.00 N ATOM 407 CA GLU A 26 45.710 25.468 20.194 1.00 0.00 C ATOM 408 C GLU A 26 44.453 25.504 20.994 1.00 0.00 C ATOM 409 O GLU A 26 43.357 25.619 20.449 1.00 0.00 O ATOM 410 CB GLU A 26 45.996 24.063 19.641 1.00 0.00 C ATOM 411 CG GLU A 26 46.163 22.975 20.703 1.00 0.00 C ATOM 412 CD GLU A 26 46.531 21.605 20.148 1.00 0.00 C ATOM 413 OE1 GLU A 26 45.725 21.009 19.385 1.00 0.00 O ATOM 414 OE2 GLU A 26 47.594 21.062 20.552 1.00 0.00 O ATOM 0 H GLU A 26 47.510 25.230 21.147 1.00 0.00 H new ATOM 0 HA GLU A 26 45.560 26.133 19.344 1.00 0.00 H new ATOM 0 HB2 GLU A 26 45.182 23.778 18.975 1.00 0.00 H new ATOM 0 HB3 GLU A 26 46.903 24.104 19.037 1.00 0.00 H new ATOM 0 HG2 GLU A 26 46.934 23.287 21.407 1.00 0.00 H new ATOM 0 HG3 GLU A 26 45.234 22.888 21.266 1.00 0.00 H new ATOM 421 N ILE A 27 44.546 25.489 22.336 1.00 0.00 N ATOM 422 CA ILE A 27 43.421 25.561 23.216 1.00 0.00 C ATOM 423 C ILE A 27 42.779 26.904 23.132 1.00 0.00 C ATOM 424 O ILE A 27 41.555 27.007 23.066 1.00 0.00 O ATOM 425 CB ILE A 27 43.721 25.308 24.663 1.00 0.00 C ATOM 426 CG1 ILE A 27 44.543 24.063 25.038 1.00 0.00 C ATOM 427 CG2 ILE A 27 42.365 25.143 25.370 1.00 0.00 C ATOM 428 CD1 ILE A 27 44.554 22.933 24.011 1.00 0.00 C ATOM 0 H ILE A 27 45.438 25.424 22.826 1.00 0.00 H new ATOM 0 HA ILE A 27 42.767 24.760 22.871 1.00 0.00 H new ATOM 0 HB ILE A 27 44.341 26.154 24.959 1.00 0.00 H new ATOM 0 HG12 ILE A 27 45.572 24.373 25.219 1.00 0.00 H new ATOM 0 HG13 ILE A 27 44.159 23.668 25.979 1.00 0.00 H new ATOM 0 HG21 ILE A 27 42.528 24.956 26.431 1.00 0.00 H new ATOM 0 HG22 ILE A 27 41.778 26.053 25.248 1.00 0.00 H new ATOM 0 HG23 ILE A 27 41.826 24.303 24.932 1.00 0.00 H new ATOM 0 HD11 ILE A 27 45.164 22.110 24.382 1.00 0.00 H new ATOM 0 HD12 ILE A 27 43.535 22.583 23.844 1.00 0.00 H new ATOM 0 HD13 ILE A 27 44.971 23.298 23.072 1.00 0.00 H new ATOM 440 N TYR A 28 43.580 27.984 23.085 1.00 0.00 N ATOM 441 CA TYR A 28 43.124 29.336 23.004 1.00 0.00 C ATOM 442 C TYR A 28 42.256 29.575 21.816 1.00 0.00 C ATOM 443 O TYR A 28 41.273 30.312 21.877 1.00 0.00 O ATOM 444 CB TYR A 28 44.317 30.306 23.022 1.00 0.00 C ATOM 445 CG TYR A 28 43.895 31.702 23.321 1.00 0.00 C ATOM 446 CD1 TYR A 28 43.376 32.023 24.553 1.00 0.00 C ATOM 447 CD2 TYR A 28 43.966 32.682 22.358 1.00 0.00 C ATOM 448 CE1 TYR A 28 42.900 33.285 24.820 1.00 0.00 C ATOM 449 CE2 TYR A 28 43.490 33.947 22.608 1.00 0.00 C ATOM 450 CZ TYR A 28 42.945 34.244 23.836 1.00 0.00 C ATOM 451 OH TYR A 28 42.413 35.532 24.052 1.00 0.00 O ATOM 0 H TYR A 28 44.597 27.909 23.105 1.00 0.00 H new ATOM 0 HA TYR A 28 42.506 29.523 23.882 1.00 0.00 H new ATOM 0 HB2 TYR A 28 45.040 29.978 23.769 1.00 0.00 H new ATOM 0 HB3 TYR A 28 44.821 30.279 22.056 1.00 0.00 H new ATOM 0 HD1 TYR A 28 43.342 31.269 25.326 1.00 0.00 H new ATOM 0 HD2 TYR A 28 44.400 32.455 21.396 1.00 0.00 H new ATOM 0 HE1 TYR A 28 42.495 33.521 25.793 1.00 0.00 H new ATOM 0 HE2 TYR A 28 43.544 34.706 21.842 1.00 0.00 H new ATOM 0 HH TYR A 28 42.373 36.017 23.201 1.00 0.00 H new ATOM 461 N ARG A 29 42.537 28.884 20.696 1.00 0.00 N ATOM 462 CA ARG A 29 41.689 28.894 19.545 1.00 0.00 C ATOM 463 C ARG A 29 40.402 28.191 19.808 1.00 0.00 C ATOM 464 O ARG A 29 39.341 28.803 19.693 1.00 0.00 O ATOM 465 CB ARG A 29 42.376 28.321 18.294 1.00 0.00 C ATOM 466 CG ARG A 29 43.407 29.251 17.651 1.00 0.00 C ATOM 467 CD ARG A 29 44.744 29.372 18.386 1.00 0.00 C ATOM 468 NE ARG A 29 45.587 30.372 17.674 1.00 0.00 N ATOM 469 CZ ARG A 29 46.866 30.083 17.293 1.00 0.00 C ATOM 470 NH1 ARG A 29 47.226 28.833 16.879 1.00 0.00 N ATOM 471 NH2 ARG A 29 47.836 31.043 17.319 1.00 0.00 N ATOM 0 H ARG A 29 43.371 28.306 20.588 1.00 0.00 H new ATOM 0 HA ARG A 29 41.472 29.942 19.338 1.00 0.00 H new ATOM 0 HB2 ARG A 29 42.867 27.385 18.562 1.00 0.00 H new ATOM 0 HB3 ARG A 29 41.612 28.080 17.554 1.00 0.00 H new ATOM 0 HG2 ARG A 29 43.602 28.901 16.637 1.00 0.00 H new ATOM 0 HG3 ARG A 29 42.969 30.245 17.567 1.00 0.00 H new ATOM 0 HD2 ARG A 29 44.582 29.680 19.419 1.00 0.00 H new ATOM 0 HD3 ARG A 29 45.248 28.406 18.417 1.00 0.00 H new ATOM 0 HE ARG A 29 45.201 31.293 17.466 1.00 0.00 H new ATOM 0 HH11 ARG A 29 46.532 28.086 16.849 1.00 0.00 H new ATOM 0 HH12 ARG A 29 48.189 28.646 16.600 1.00 0.00 H new ATOM 0 HH21 ARG A 29 47.609 31.989 17.626 1.00 0.00 H new ATOM 0 HH22 ARG A 29 48.788 30.814 17.032 1.00 0.00 H new ATOM 485 N SER A 30 40.419 26.908 20.212 1.00 0.00 N ATOM 486 CA SER A 30 39.253 26.093 20.355 1.00 0.00 C ATOM 487 C SER A 30 38.303 26.538 21.412 1.00 0.00 C ATOM 488 O SER A 30 37.089 26.456 21.229 1.00 0.00 O ATOM 489 CB SER A 30 39.614 24.633 20.681 1.00 0.00 C ATOM 490 OG SER A 30 40.403 24.032 19.667 1.00 0.00 O ATOM 0 H SER A 30 41.282 26.418 20.449 1.00 0.00 H new ATOM 0 HA SER A 30 38.766 26.187 19.384 1.00 0.00 H new ATOM 0 HB2 SER A 30 40.154 24.598 21.627 1.00 0.00 H new ATOM 0 HB3 SER A 30 38.699 24.056 20.815 1.00 0.00 H new ATOM 0 HG SER A 30 40.609 23.107 19.918 1.00 0.00 H new ATOM 496 N PHE A 31 38.821 27.024 22.554 1.00 0.00 N ATOM 497 CA PHE A 31 38.108 27.443 23.721 1.00 0.00 C ATOM 498 C PHE A 31 37.096 28.509 23.477 1.00 0.00 C ATOM 499 O PHE A 31 35.907 28.343 23.738 1.00 0.00 O ATOM 500 CB PHE A 31 39.160 27.875 24.756 1.00 0.00 C ATOM 501 CG PHE A 31 38.695 28.531 26.011 1.00 0.00 C ATOM 502 CD1 PHE A 31 37.562 28.128 26.679 1.00 0.00 C ATOM 503 CD2 PHE A 31 39.421 29.583 26.515 1.00 0.00 C ATOM 504 CE1 PHE A 31 37.137 28.782 27.811 1.00 0.00 C ATOM 505 CE2 PHE A 31 38.991 30.262 27.631 1.00 0.00 C ATOM 506 CZ PHE A 31 37.847 29.861 28.280 1.00 0.00 C ATOM 0 H PHE A 31 39.829 27.133 22.669 1.00 0.00 H new ATOM 0 HA PHE A 31 37.510 26.608 24.085 1.00 0.00 H new ATOM 0 HB2 PHE A 31 39.732 26.990 25.036 1.00 0.00 H new ATOM 0 HB3 PHE A 31 39.851 28.558 24.261 1.00 0.00 H new ATOM 0 HD1 PHE A 31 36.998 27.285 26.308 1.00 0.00 H new ATOM 0 HD2 PHE A 31 40.339 29.880 26.030 1.00 0.00 H new ATOM 0 HE1 PHE A 31 36.250 28.449 28.329 1.00 0.00 H new ATOM 0 HE2 PHE A 31 39.551 31.109 27.997 1.00 0.00 H new ATOM 0 HZ PHE A 31 37.507 30.393 29.156 1.00 0.00 H new ATOM 516 N LEU A 32 37.528 29.677 22.969 1.00 0.00 N ATOM 517 CA LEU A 32 36.686 30.830 22.892 1.00 0.00 C ATOM 518 C LEU A 32 35.695 30.722 21.785 1.00 0.00 C ATOM 519 O LEU A 32 34.607 31.291 21.857 1.00 0.00 O ATOM 520 CB LEU A 32 37.430 32.152 22.638 1.00 0.00 C ATOM 521 CG LEU A 32 38.871 32.196 23.175 1.00 0.00 C ATOM 522 CD1 LEU A 32 39.718 33.066 22.232 1.00 0.00 C ATOM 523 CD2 LEU A 32 38.888 32.648 24.645 1.00 0.00 C ATOM 0 H LEU A 32 38.471 29.823 22.608 1.00 0.00 H new ATOM 0 HA LEU A 32 36.217 30.852 23.876 1.00 0.00 H new ATOM 0 HB2 LEU A 32 37.452 32.340 21.565 1.00 0.00 H new ATOM 0 HB3 LEU A 32 36.863 32.965 23.092 1.00 0.00 H new ATOM 0 HG LEU A 32 39.319 31.202 23.183 1.00 0.00 H new ATOM 0 HD11 LEU A 32 40.744 33.108 22.599 1.00 0.00 H new ATOM 0 HD12 LEU A 32 39.708 32.634 21.231 1.00 0.00 H new ATOM 0 HD13 LEU A 32 39.304 34.074 22.197 1.00 0.00 H new ATOM 0 HD21 LEU A 32 39.916 32.673 25.006 1.00 0.00 H new ATOM 0 HD22 LEU A 32 38.451 33.644 24.725 1.00 0.00 H new ATOM 0 HD23 LEU A 32 38.308 31.949 25.247 1.00 0.00 H new ATOM 535 N GLU A 33 36.048 29.996 20.709 1.00 0.00 N ATOM 536 CA GLU A 33 35.133 29.593 19.686 1.00 0.00 C ATOM 537 C GLU A 33 33.871 28.978 20.183 1.00 0.00 C ATOM 538 O GLU A 33 32.782 29.334 19.738 1.00 0.00 O ATOM 539 CB GLU A 33 35.764 28.645 18.652 1.00 0.00 C ATOM 540 CG GLU A 33 36.716 29.357 17.689 1.00 0.00 C ATOM 541 CD GLU A 33 36.947 28.557 16.414 1.00 0.00 C ATOM 542 OE1 GLU A 33 35.973 28.411 15.628 1.00 0.00 O ATOM 543 OE2 GLU A 33 38.106 28.147 16.140 1.00 0.00 O ATOM 0 H GLU A 33 37.003 29.678 20.545 1.00 0.00 H new ATOM 0 HA GLU A 33 34.877 30.539 19.209 1.00 0.00 H new ATOM 0 HB2 GLU A 33 36.307 27.857 19.174 1.00 0.00 H new ATOM 0 HB3 GLU A 33 34.972 28.162 18.080 1.00 0.00 H new ATOM 0 HG2 GLU A 33 36.308 30.335 17.434 1.00 0.00 H new ATOM 0 HG3 GLU A 33 37.671 29.530 18.186 1.00 0.00 H new ATOM 550 N ILE A 34 33.953 28.082 21.184 1.00 0.00 N ATOM 551 CA ILE A 34 32.842 27.489 21.862 1.00 0.00 C ATOM 552 C ILE A 34 32.083 28.506 22.640 1.00 0.00 C ATOM 553 O ILE A 34 30.863 28.609 22.511 1.00 0.00 O ATOM 554 CB ILE A 34 33.315 26.326 22.684 1.00 0.00 C ATOM 555 CG1 ILE A 34 33.942 25.240 21.792 1.00 0.00 C ATOM 556 CG2 ILE A 34 32.149 25.734 23.493 1.00 0.00 C ATOM 557 CD1 ILE A 34 34.796 24.229 22.556 1.00 0.00 C ATOM 0 H ILE A 34 34.850 27.752 21.541 1.00 0.00 H new ATOM 0 HA ILE A 34 32.132 27.095 21.135 1.00 0.00 H new ATOM 0 HB ILE A 34 34.078 26.688 23.373 1.00 0.00 H new ATOM 0 HG12 ILE A 34 33.146 24.708 21.270 1.00 0.00 H new ATOM 0 HG13 ILE A 34 34.558 25.719 21.031 1.00 0.00 H new ATOM 0 HG21 ILE A 34 32.507 24.891 24.084 1.00 0.00 H new ATOM 0 HG22 ILE A 34 31.743 26.497 24.157 1.00 0.00 H new ATOM 0 HG23 ILE A 34 31.369 25.394 22.812 1.00 0.00 H new ATOM 0 HD11 ILE A 34 35.203 23.496 21.859 1.00 0.00 H new ATOM 0 HD12 ILE A 34 35.614 24.748 23.056 1.00 0.00 H new ATOM 0 HD13 ILE A 34 34.181 23.721 23.299 1.00 0.00 H new ATOM 569 N LEU A 35 32.728 29.381 23.433 1.00 0.00 N ATOM 570 CA LEU A 35 32.050 30.426 24.134 1.00 0.00 C ATOM 571 C LEU A 35 31.431 31.471 23.270 1.00 0.00 C ATOM 572 O LEU A 35 30.432 32.099 23.619 1.00 0.00 O ATOM 573 CB LEU A 35 33.030 31.115 25.098 1.00 0.00 C ATOM 574 CG LEU A 35 33.816 30.197 26.047 1.00 0.00 C ATOM 575 CD1 LEU A 35 34.203 31.060 27.261 1.00 0.00 C ATOM 576 CD2 LEU A 35 33.044 29.024 26.674 1.00 0.00 C ATOM 0 H LEU A 35 33.736 29.362 23.590 1.00 0.00 H new ATOM 0 HA LEU A 35 31.230 29.933 24.656 1.00 0.00 H new ATOM 0 HB2 LEU A 35 33.745 31.687 24.507 1.00 0.00 H new ATOM 0 HB3 LEU A 35 32.470 31.830 25.701 1.00 0.00 H new ATOM 0 HG LEU A 35 34.618 29.781 25.438 1.00 0.00 H new ATOM 0 HD11 LEU A 35 34.766 30.456 27.972 1.00 0.00 H new ATOM 0 HD12 LEU A 35 34.816 31.898 26.931 1.00 0.00 H new ATOM 0 HD13 LEU A 35 33.300 31.438 27.741 1.00 0.00 H new ATOM 0 HD21 LEU A 35 33.711 28.455 27.322 1.00 0.00 H new ATOM 0 HD22 LEU A 35 32.210 29.409 27.260 1.00 0.00 H new ATOM 0 HD23 LEU A 35 32.664 28.376 25.885 1.00 0.00 H new ATOM 588 N HIS A 36 31.964 31.708 22.058 1.00 0.00 N ATOM 589 CA HIS A 36 31.381 32.552 21.061 1.00 0.00 C ATOM 590 C HIS A 36 30.170 31.949 20.437 1.00 0.00 C ATOM 591 O HIS A 36 29.272 32.677 20.017 1.00 0.00 O ATOM 592 CB HIS A 36 32.375 32.928 19.949 1.00 0.00 C ATOM 593 CG HIS A 36 33.431 33.906 20.369 1.00 0.00 C ATOM 594 ND1 HIS A 36 33.139 35.212 20.667 1.00 0.00 N ATOM 595 CD2 HIS A 36 34.784 33.785 20.434 1.00 0.00 C ATOM 596 CE1 HIS A 36 34.263 35.861 20.904 1.00 0.00 C ATOM 597 NE2 HIS A 36 35.272 35.019 20.775 1.00 0.00 N ATOM 0 H HIS A 36 32.845 31.290 21.759 1.00 0.00 H new ATOM 0 HA HIS A 36 31.091 33.456 21.597 1.00 0.00 H new ATOM 0 HB2 HIS A 36 32.860 32.020 19.589 1.00 0.00 H new ATOM 0 HB3 HIS A 36 31.821 33.348 19.109 1.00 0.00 H new ATOM 0 HD2 HIS A 36 35.361 32.891 20.252 1.00 0.00 H new ATOM 0 HE1 HIS A 36 34.344 36.907 21.161 1.00 0.00 H new ATOM 0 HE2 HIS A 36 36.257 35.250 20.908 1.00 0.00 H new ATOM 606 N THR A 37 30.034 30.611 20.400 1.00 0.00 N ATOM 607 CA THR A 37 28.848 29.926 19.990 1.00 0.00 C ATOM 608 C THR A 37 27.717 30.177 20.927 1.00 0.00 C ATOM 609 O THR A 37 26.553 30.214 20.530 1.00 0.00 O ATOM 610 CB THR A 37 29.122 28.468 19.769 1.00 0.00 C ATOM 611 OG1 THR A 37 29.454 28.211 18.412 1.00 0.00 O ATOM 612 CG2 THR A 37 27.985 27.499 20.133 1.00 0.00 C ATOM 0 H THR A 37 30.787 29.978 20.669 1.00 0.00 H new ATOM 0 HA THR A 37 28.531 30.332 19.029 1.00 0.00 H new ATOM 0 HB THR A 37 29.948 28.275 20.454 1.00 0.00 H new ATOM 0 HG1 THR A 37 29.630 27.254 18.294 1.00 0.00 H new ATOM 0 HG21 THR A 37 28.300 26.475 19.930 1.00 0.00 H new ATOM 0 HG22 THR A 37 27.744 27.602 21.191 1.00 0.00 H new ATOM 0 HG23 THR A 37 27.103 27.732 19.536 1.00 0.00 H new ATOM 620 N TYR A 38 28.015 30.461 22.208 1.00 0.00 N ATOM 621 CA TYR A 38 27.098 31.032 23.145 1.00 0.00 C ATOM 622 C TYR A 38 26.848 32.475 22.875 1.00 0.00 C ATOM 623 O TYR A 38 25.715 32.886 22.628 1.00 0.00 O ATOM 624 CB TYR A 38 27.645 30.821 24.567 1.00 0.00 C ATOM 625 CG TYR A 38 26.742 31.122 25.714 1.00 0.00 C ATOM 626 CD1 TYR A 38 26.638 32.407 26.191 1.00 0.00 C ATOM 627 CD2 TYR A 38 26.152 30.101 26.420 1.00 0.00 C ATOM 628 CE1 TYR A 38 25.953 32.675 27.353 1.00 0.00 C ATOM 629 CE2 TYR A 38 25.428 30.366 27.559 1.00 0.00 C ATOM 630 CZ TYR A 38 25.325 31.655 28.028 1.00 0.00 C ATOM 631 OH TYR A 38 24.598 31.883 29.215 1.00 0.00 O ATOM 0 H TYR A 38 28.937 30.285 22.608 1.00 0.00 H new ATOM 0 HA TYR A 38 26.136 30.530 23.043 1.00 0.00 H new ATOM 0 HB2 TYR A 38 27.960 29.781 24.653 1.00 0.00 H new ATOM 0 HB3 TYR A 38 28.539 31.435 24.676 1.00 0.00 H new ATOM 0 HD1 TYR A 38 27.100 33.217 25.646 1.00 0.00 H new ATOM 0 HD2 TYR A 38 26.258 29.082 26.078 1.00 0.00 H new ATOM 0 HE1 TYR A 38 25.908 33.684 27.734 1.00 0.00 H new ATOM 0 HE2 TYR A 38 24.939 29.560 28.086 1.00 0.00 H new ATOM 0 HH TYR A 38 24.348 31.024 29.615 1.00 0.00 H new ATOM 641 N GLN A 39 27.905 33.307 22.880 1.00 0.00 N ATOM 642 CA GLN A 39 27.803 34.733 22.874 1.00 0.00 C ATOM 643 C GLN A 39 27.350 35.379 21.609 1.00 0.00 C ATOM 644 O GLN A 39 26.362 36.112 21.619 1.00 0.00 O ATOM 645 CB GLN A 39 29.106 35.364 23.390 1.00 0.00 C ATOM 646 CG GLN A 39 28.874 36.419 24.474 1.00 0.00 C ATOM 647 CD GLN A 39 28.192 37.682 23.970 1.00 0.00 C ATOM 648 OE1 GLN A 39 28.823 38.602 23.451 1.00 0.00 O ATOM 649 NE2 GLN A 39 26.850 37.793 24.159 1.00 0.00 N ATOM 0 H GLN A 39 28.869 32.973 22.889 1.00 0.00 H new ATOM 0 HA GLN A 39 26.978 34.939 23.556 1.00 0.00 H new ATOM 0 HB2 GLN A 39 29.750 34.579 23.787 1.00 0.00 H new ATOM 0 HB3 GLN A 39 29.637 35.821 22.555 1.00 0.00 H new ATOM 0 HG2 GLN A 39 28.268 35.983 25.268 1.00 0.00 H new ATOM 0 HG3 GLN A 39 29.833 36.688 24.917 1.00 0.00 H new ATOM 0 HE21 GLN A 39 26.331 37.028 24.590 1.00 0.00 H new ATOM 0 HE22 GLN A 39 26.363 38.641 23.870 1.00 0.00 H new ATOM 898 N SER A 54 22.804 26.746 26.023 1.00 0.00 N ATOM 899 CA SER A 54 22.993 26.598 27.433 1.00 0.00 C ATOM 900 C SER A 54 24.437 26.556 27.798 1.00 0.00 C ATOM 901 O SER A 54 25.294 26.029 27.092 1.00 0.00 O ATOM 902 CB SER A 54 22.278 25.350 27.980 1.00 0.00 C ATOM 903 OG SER A 54 22.332 25.299 29.398 1.00 0.00 O ATOM 0 HA SER A 54 22.547 27.479 27.895 1.00 0.00 H new ATOM 0 HB2 SER A 54 21.238 25.353 27.654 1.00 0.00 H new ATOM 0 HB3 SER A 54 22.739 24.454 27.565 1.00 0.00 H new ATOM 0 HG SER A 54 21.738 24.591 29.723 1.00 0.00 H new ATOM 909 N GLU A 55 24.735 27.094 28.995 1.00 0.00 N ATOM 910 CA GLU A 55 25.989 27.027 29.678 1.00 0.00 C ATOM 911 C GLU A 55 26.482 25.643 29.920 1.00 0.00 C ATOM 912 O GLU A 55 27.684 25.443 30.089 1.00 0.00 O ATOM 913 CB GLU A 55 25.971 27.840 30.984 1.00 0.00 C ATOM 914 CG GLU A 55 24.675 27.774 31.795 1.00 0.00 C ATOM 915 CD GLU A 55 23.665 28.861 31.454 1.00 0.00 C ATOM 916 OE1 GLU A 55 23.839 29.583 30.436 1.00 0.00 O ATOM 917 OE2 GLU A 55 22.704 29.026 32.251 1.00 0.00 O ATOM 0 H GLU A 55 24.040 27.618 29.527 1.00 0.00 H new ATOM 0 HA GLU A 55 26.705 27.482 28.993 1.00 0.00 H new ATOM 0 HB2 GLU A 55 26.790 27.495 31.615 1.00 0.00 H new ATOM 0 HB3 GLU A 55 26.173 28.884 30.742 1.00 0.00 H new ATOM 0 HG2 GLU A 55 24.211 26.801 31.637 1.00 0.00 H new ATOM 0 HG3 GLU A 55 24.920 27.842 32.855 1.00 0.00 H new ATOM 924 N GLU A 56 25.624 24.608 29.924 1.00 0.00 N ATOM 925 CA GLU A 56 26.072 23.253 30.003 1.00 0.00 C ATOM 926 C GLU A 56 26.875 22.782 28.840 1.00 0.00 C ATOM 927 O GLU A 56 27.826 22.026 29.028 1.00 0.00 O ATOM 928 CB GLU A 56 24.951 22.246 30.307 1.00 0.00 C ATOM 929 CG GLU A 56 23.826 22.142 29.275 1.00 0.00 C ATOM 930 CD GLU A 56 23.082 20.815 29.331 1.00 0.00 C ATOM 931 OE1 GLU A 56 22.368 20.534 30.330 1.00 0.00 O ATOM 932 OE2 GLU A 56 23.167 20.054 28.330 1.00 0.00 O ATOM 0 H GLU A 56 24.611 24.712 29.872 1.00 0.00 H new ATOM 0 HA GLU A 56 26.747 23.284 30.858 1.00 0.00 H new ATOM 0 HB2 GLU A 56 25.401 21.260 30.422 1.00 0.00 H new ATOM 0 HB3 GLU A 56 24.509 22.508 31.268 1.00 0.00 H new ATOM 0 HG2 GLU A 56 23.118 22.955 29.436 1.00 0.00 H new ATOM 0 HG3 GLU A 56 24.244 22.275 28.277 1.00 0.00 H new ATOM 939 N GLU A 57 26.573 23.179 27.591 1.00 0.00 N ATOM 940 CA GLU A 57 27.253 22.630 26.458 1.00 0.00 C ATOM 941 C GLU A 57 28.536 23.353 26.228 1.00 0.00 C ATOM 942 O GLU A 57 29.557 22.820 25.799 1.00 0.00 O ATOM 943 CB GLU A 57 26.449 22.551 25.149 1.00 0.00 C ATOM 944 CG GLU A 57 26.637 23.692 24.147 1.00 0.00 C ATOM 945 CD GLU A 57 25.981 23.343 22.818 1.00 0.00 C ATOM 946 OE1 GLU A 57 24.780 22.964 22.823 1.00 0.00 O ATOM 947 OE2 GLU A 57 26.678 23.402 21.770 1.00 0.00 O ATOM 0 H GLU A 57 25.863 23.876 27.366 1.00 0.00 H new ATOM 0 HA GLU A 57 27.428 21.589 26.730 1.00 0.00 H new ATOM 0 HB2 GLU A 57 26.706 21.617 24.650 1.00 0.00 H new ATOM 0 HB3 GLU A 57 25.391 22.496 25.404 1.00 0.00 H new ATOM 0 HG2 GLU A 57 26.203 24.609 24.545 1.00 0.00 H new ATOM 0 HG3 GLU A 57 27.700 23.882 23.997 1.00 0.00 H new ATOM 954 N VAL A 58 28.499 24.665 26.521 1.00 0.00 N ATOM 955 CA VAL A 58 29.588 25.573 26.329 1.00 0.00 C ATOM 956 C VAL A 58 30.690 25.275 27.286 1.00 0.00 C ATOM 957 O VAL A 58 31.882 25.365 26.997 1.00 0.00 O ATOM 958 CB VAL A 58 29.015 26.960 26.358 1.00 0.00 C ATOM 959 CG1 VAL A 58 29.144 27.637 27.733 1.00 0.00 C ATOM 960 CG2 VAL A 58 29.790 27.823 25.349 1.00 0.00 C ATOM 0 H VAL A 58 27.670 25.114 26.910 1.00 0.00 H new ATOM 0 HA VAL A 58 30.078 25.464 25.361 1.00 0.00 H new ATOM 0 HB VAL A 58 27.955 26.875 26.119 1.00 0.00 H new ATOM 0 HG11 VAL A 58 28.711 28.637 27.688 1.00 0.00 H new ATOM 0 HG12 VAL A 58 28.615 27.046 28.481 1.00 0.00 H new ATOM 0 HG13 VAL A 58 30.197 27.709 28.006 1.00 0.00 H new ATOM 0 HG21 VAL A 58 29.389 28.837 25.354 1.00 0.00 H new ATOM 0 HG22 VAL A 58 30.844 27.848 25.626 1.00 0.00 H new ATOM 0 HG23 VAL A 58 29.687 27.397 24.351 1.00 0.00 H new ATOM 970 N PHE A 59 30.271 24.775 28.463 1.00 0.00 N ATOM 971 CA PHE A 59 31.066 24.024 29.385 1.00 0.00 C ATOM 972 C PHE A 59 31.562 22.735 28.827 1.00 0.00 C ATOM 973 O PHE A 59 32.773 22.531 28.759 1.00 0.00 O ATOM 974 CB PHE A 59 30.263 23.825 30.681 1.00 0.00 C ATOM 975 CG PHE A 59 31.010 23.248 31.834 1.00 0.00 C ATOM 976 CD1 PHE A 59 31.133 21.886 31.979 1.00 0.00 C ATOM 977 CD2 PHE A 59 31.499 24.071 32.821 1.00 0.00 C ATOM 978 CE1 PHE A 59 31.733 21.349 33.094 1.00 0.00 C ATOM 979 CE2 PHE A 59 32.094 23.544 33.943 1.00 0.00 C ATOM 980 CZ PHE A 59 32.203 22.181 34.083 1.00 0.00 C ATOM 0 H PHE A 59 29.314 24.904 28.791 1.00 0.00 H new ATOM 0 HA PHE A 59 31.970 24.594 29.599 1.00 0.00 H new ATOM 0 HB2 PHE A 59 29.857 24.790 30.984 1.00 0.00 H new ATOM 0 HB3 PHE A 59 29.415 23.176 30.463 1.00 0.00 H new ATOM 0 HD1 PHE A 59 30.754 21.231 31.209 1.00 0.00 H new ATOM 0 HD2 PHE A 59 31.415 25.142 32.714 1.00 0.00 H new ATOM 0 HE1 PHE A 59 31.835 20.278 33.192 1.00 0.00 H new ATOM 0 HE2 PHE A 59 32.475 24.199 34.712 1.00 0.00 H new ATOM 0 HZ PHE A 59 32.658 21.764 34.969 1.00 0.00 H new ATOM 990 N THR A 60 30.680 21.820 28.387 1.00 0.00 N ATOM 991 CA THR A 60 30.952 20.513 27.875 1.00 0.00 C ATOM 992 C THR A 60 32.013 20.417 26.834 1.00 0.00 C ATOM 993 O THR A 60 32.876 19.544 26.897 1.00 0.00 O ATOM 994 CB THR A 60 29.731 19.733 27.487 1.00 0.00 C ATOM 995 OG1 THR A 60 29.738 18.422 28.030 1.00 0.00 O ATOM 996 CG2 THR A 60 29.512 19.547 25.975 1.00 0.00 C ATOM 0 H THR A 60 29.679 22.017 28.391 1.00 0.00 H new ATOM 0 HA THR A 60 31.380 20.030 28.753 1.00 0.00 H new ATOM 0 HB THR A 60 28.931 20.354 27.890 1.00 0.00 H new ATOM 0 HG1 THR A 60 28.925 17.949 27.754 1.00 0.00 H new ATOM 0 HG21 THR A 60 28.603 18.970 25.807 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.416 20.523 25.499 1.00 0.00 H new ATOM 0 HG23 THR A 60 30.362 19.017 25.547 1.00 0.00 H new ATOM 1004 N GLU A 61 31.985 21.283 25.805 1.00 0.00 N ATOM 1005 CA GLU A 61 32.901 21.174 24.712 1.00 0.00 C ATOM 1006 C GLU A 61 34.259 21.698 25.030 1.00 0.00 C ATOM 1007 O GLU A 61 35.235 21.170 24.498 1.00 0.00 O ATOM 1008 CB GLU A 61 32.352 21.701 23.376 1.00 0.00 C ATOM 1009 CG GLU A 61 31.035 21.053 22.946 1.00 0.00 C ATOM 1010 CD GLU A 61 30.921 20.878 21.438 1.00 0.00 C ATOM 1011 OE1 GLU A 61 31.617 19.979 20.894 1.00 0.00 O ATOM 1012 OE2 GLU A 61 30.106 21.593 20.795 1.00 0.00 O ATOM 0 H GLU A 61 31.328 22.059 25.730 1.00 0.00 H new ATOM 0 HA GLU A 61 33.021 20.101 24.561 1.00 0.00 H new ATOM 0 HB2 GLU A 61 32.206 22.778 23.454 1.00 0.00 H new ATOM 0 HB3 GLU A 61 33.097 21.536 22.598 1.00 0.00 H new ATOM 0 HG2 GLU A 61 30.942 20.079 23.427 1.00 0.00 H new ATOM 0 HG3 GLU A 61 30.204 21.664 23.299 1.00 0.00 H new ATOM 1019 N VAL A 62 34.388 22.679 25.942 1.00 0.00 N ATOM 1020 CA VAL A 62 35.619 23.181 26.468 1.00 0.00 C ATOM 1021 C VAL A 62 36.256 22.214 27.404 1.00 0.00 C ATOM 1022 O VAL A 62 37.471 22.175 27.592 1.00 0.00 O ATOM 1023 CB VAL A 62 35.332 24.425 27.253 1.00 0.00 C ATOM 1024 CG1 VAL A 62 36.576 24.986 27.963 1.00 0.00 C ATOM 1025 CG2 VAL A 62 34.765 25.516 26.329 1.00 0.00 C ATOM 0 H VAL A 62 33.576 23.153 26.338 1.00 0.00 H new ATOM 0 HA VAL A 62 36.288 23.364 25.627 1.00 0.00 H new ATOM 0 HB VAL A 62 34.606 24.144 28.016 1.00 0.00 H new ATOM 0 HG11 VAL A 62 36.305 25.886 28.515 1.00 0.00 H new ATOM 0 HG12 VAL A 62 36.967 24.240 28.655 1.00 0.00 H new ATOM 0 HG13 VAL A 62 37.338 25.230 27.223 1.00 0.00 H new ATOM 0 HG21 VAL A 62 34.560 26.415 26.910 1.00 0.00 H new ATOM 0 HG22 VAL A 62 35.491 25.746 25.549 1.00 0.00 H new ATOM 0 HG23 VAL A 62 33.841 25.162 25.872 1.00 0.00 H new ATOM 1035 N ALA A 63 35.446 21.342 28.032 1.00 0.00 N ATOM 1036 CA ALA A 63 35.862 20.427 29.049 1.00 0.00 C ATOM 1037 C ALA A 63 36.902 19.482 28.550 1.00 0.00 C ATOM 1038 O ALA A 63 37.852 19.136 29.249 1.00 0.00 O ATOM 1039 CB ALA A 63 34.683 19.584 29.562 1.00 0.00 C ATOM 0 H ALA A 63 34.451 21.272 27.819 1.00 0.00 H new ATOM 0 HA ALA A 63 36.269 21.039 29.854 1.00 0.00 H new ATOM 0 HB1 ALA A 63 35.034 18.899 30.334 1.00 0.00 H new ATOM 0 HB2 ALA A 63 33.920 20.241 29.980 1.00 0.00 H new ATOM 0 HB3 ALA A 63 34.258 19.013 28.737 1.00 0.00 H new ATOM 1045 N ASN A 64 36.775 19.090 27.270 1.00 0.00 N ATOM 1046 CA ASN A 64 37.705 18.177 26.682 1.00 0.00 C ATOM 1047 C ASN A 64 39.040 18.796 26.447 1.00 0.00 C ATOM 1048 O ASN A 64 40.070 18.123 26.463 1.00 0.00 O ATOM 1049 CB ASN A 64 37.245 17.577 25.343 1.00 0.00 C ATOM 1050 CG ASN A 64 35.742 17.342 25.375 1.00 0.00 C ATOM 1051 OD1 ASN A 64 35.209 16.404 25.965 1.00 0.00 O ATOM 1052 ND2 ASN A 64 35.036 18.318 24.744 1.00 0.00 N ATOM 0 H ASN A 64 36.032 19.403 26.645 1.00 0.00 H new ATOM 0 HA ASN A 64 37.770 17.380 27.423 1.00 0.00 H new ATOM 0 HB2 ASN A 64 37.500 18.251 24.525 1.00 0.00 H new ATOM 0 HB3 ASN A 64 37.766 16.638 25.156 1.00 0.00 H new ATOM 0 HD21 ASN A 64 34.016 18.293 24.746 1.00 0.00 H new ATOM 0 HD22 ASN A 64 35.526 19.076 24.268 1.00 0.00 H new ATOM 1059 N LEU A 65 39.087 20.123 26.231 1.00 0.00 N ATOM 1060 CA LEU A 65 40.274 20.875 25.970 1.00 0.00 C ATOM 1061 C LEU A 65 41.157 20.926 27.171 1.00 0.00 C ATOM 1062 O LEU A 65 42.383 20.903 27.095 1.00 0.00 O ATOM 1063 CB LEU A 65 39.957 22.338 25.614 1.00 0.00 C ATOM 1064 CG LEU A 65 39.314 22.576 24.237 1.00 0.00 C ATOM 1065 CD1 LEU A 65 38.015 21.782 24.026 1.00 0.00 C ATOM 1066 CD2 LEU A 65 39.021 24.074 24.049 1.00 0.00 C ATOM 0 H LEU A 65 38.248 20.703 26.239 1.00 0.00 H new ATOM 0 HA LEU A 65 40.763 20.370 25.137 1.00 0.00 H new ATOM 0 HB2 LEU A 65 39.291 22.740 26.378 1.00 0.00 H new ATOM 0 HB3 LEU A 65 40.883 22.911 25.664 1.00 0.00 H new ATOM 0 HG LEU A 65 40.033 22.224 23.497 1.00 0.00 H new ATOM 0 HD11 LEU A 65 37.614 21.996 23.035 1.00 0.00 H new ATOM 0 HD12 LEU A 65 38.223 20.715 24.111 1.00 0.00 H new ATOM 0 HD13 LEU A 65 37.285 22.071 24.783 1.00 0.00 H new ATOM 0 HD21 LEU A 65 38.566 24.236 23.072 1.00 0.00 H new ATOM 0 HD22 LEU A 65 38.338 24.412 24.828 1.00 0.00 H new ATOM 0 HD23 LEU A 65 39.952 24.638 24.113 1.00 0.00 H new ATOM 1078 N PHE A 66 40.515 21.031 28.348 1.00 0.00 N ATOM 1079 CA PHE A 66 41.138 21.315 29.603 1.00 0.00 C ATOM 1080 C PHE A 66 41.398 20.058 30.360 1.00 0.00 C ATOM 1081 O PHE A 66 41.811 20.080 31.518 1.00 0.00 O ATOM 1082 CB PHE A 66 40.251 22.223 30.472 1.00 0.00 C ATOM 1083 CG PHE A 66 40.105 23.636 30.024 1.00 0.00 C ATOM 1084 CD1 PHE A 66 40.607 24.157 28.855 1.00 0.00 C ATOM 1085 CD2 PHE A 66 39.421 24.475 30.873 1.00 0.00 C ATOM 1086 CE1 PHE A 66 40.399 25.475 28.518 1.00 0.00 C ATOM 1087 CE2 PHE A 66 39.239 25.803 30.567 1.00 0.00 C ATOM 1088 CZ PHE A 66 39.719 26.303 29.380 1.00 0.00 C ATOM 0 H PHE A 66 39.505 20.911 28.428 1.00 0.00 H new ATOM 0 HA PHE A 66 42.078 21.822 29.384 1.00 0.00 H new ATOM 0 HB2 PHE A 66 39.257 21.778 30.526 1.00 0.00 H new ATOM 0 HB3 PHE A 66 40.655 22.226 31.484 1.00 0.00 H new ATOM 0 HD1 PHE A 66 41.174 23.522 28.190 1.00 0.00 H new ATOM 0 HD2 PHE A 66 39.020 24.084 31.796 1.00 0.00 H new ATOM 0 HE1 PHE A 66 40.769 25.858 27.579 1.00 0.00 H new ATOM 0 HE2 PHE A 66 38.720 26.452 31.257 1.00 0.00 H new ATOM 0 HZ PHE A 66 39.563 27.341 29.126 1.00 0.00 H new ATOM 1098 N ARG A 67 41.140 18.893 29.737 1.00 0.00 N ATOM 1099 CA ARG A 67 41.019 17.641 30.415 1.00 0.00 C ATOM 1100 C ARG A 67 42.288 17.150 31.020 1.00 0.00 C ATOM 1101 O ARG A 67 43.332 17.055 30.375 1.00 0.00 O ATOM 1102 CB ARG A 67 40.284 16.639 29.508 1.00 0.00 C ATOM 1103 CG ARG A 67 41.124 15.861 28.493 1.00 0.00 C ATOM 1104 CD ARG A 67 41.594 14.500 29.011 1.00 0.00 C ATOM 1105 NE ARG A 67 42.487 13.897 27.982 1.00 0.00 N ATOM 1106 CZ ARG A 67 43.145 12.716 28.172 1.00 0.00 C ATOM 1107 NH1 ARG A 67 42.908 11.922 29.258 1.00 0.00 N ATOM 1108 NH2 ARG A 67 44.095 12.337 27.268 1.00 0.00 N ATOM 0 H ARG A 67 41.012 18.822 28.728 1.00 0.00 H new ATOM 0 HA ARG A 67 40.400 17.782 31.301 1.00 0.00 H new ATOM 0 HB2 ARG A 67 39.774 15.918 30.147 1.00 0.00 H new ATOM 0 HB3 ARG A 67 39.513 17.182 28.961 1.00 0.00 H new ATOM 0 HG2 ARG A 67 40.539 15.714 27.585 1.00 0.00 H new ATOM 0 HG3 ARG A 67 41.994 16.458 28.219 1.00 0.00 H new ATOM 0 HD2 ARG A 67 42.125 14.615 29.956 1.00 0.00 H new ATOM 0 HD3 ARG A 67 40.740 13.850 29.202 1.00 0.00 H new ATOM 0 HE ARG A 67 42.612 14.388 27.097 1.00 0.00 H new ATOM 0 HH11 ARG A 67 42.222 12.206 29.957 1.00 0.00 H new ATOM 0 HH12 ARG A 67 43.417 11.045 29.370 1.00 0.00 H new ATOM 0 HH21 ARG A 67 44.303 12.933 26.467 1.00 0.00 H new ATOM 0 HH22 ARG A 67 44.597 11.458 27.394 1.00 0.00 H new ATOM 1122 N GLY A 68 42.263 16.893 32.340 1.00 0.00 N ATOM 1123 CA GLY A 68 43.436 16.661 33.125 1.00 0.00 C ATOM 1124 C GLY A 68 43.437 17.624 34.262 1.00 0.00 C ATOM 1125 O GLY A 68 43.734 17.266 35.401 1.00 0.00 O ATOM 0 H GLY A 68 41.398 16.845 32.879 1.00 0.00 H new ATOM 0 HA2 GLY A 68 43.448 15.636 33.496 1.00 0.00 H new ATOM 0 HA3 GLY A 68 44.331 16.791 32.517 1.00 0.00 H new ATOM 1129 N GLN A 69 43.079 18.891 33.988 1.00 0.00 N ATOM 1130 CA GLN A 69 42.833 19.882 34.988 1.00 0.00 C ATOM 1131 C GLN A 69 41.374 19.939 35.287 1.00 0.00 C ATOM 1132 O GLN A 69 40.544 20.065 34.387 1.00 0.00 O ATOM 1133 CB GLN A 69 43.300 21.272 34.522 1.00 0.00 C ATOM 1134 CG GLN A 69 44.720 21.278 33.954 1.00 0.00 C ATOM 1135 CD GLN A 69 44.797 21.145 32.440 1.00 0.00 C ATOM 1136 OE1 GLN A 69 45.374 20.210 31.888 1.00 0.00 O ATOM 1137 NE2 GLN A 69 44.222 22.139 31.710 1.00 0.00 N ATOM 0 H GLN A 69 42.957 19.237 33.036 1.00 0.00 H new ATOM 0 HA GLN A 69 43.393 19.606 35.881 1.00 0.00 H new ATOM 0 HB2 GLN A 69 42.612 21.642 33.763 1.00 0.00 H new ATOM 0 HB3 GLN A 69 43.250 21.964 35.362 1.00 0.00 H new ATOM 0 HG2 GLN A 69 45.212 22.205 34.250 1.00 0.00 H new ATOM 0 HG3 GLN A 69 45.282 20.461 34.406 1.00 0.00 H new ATOM 0 HE21 GLN A 69 43.747 22.908 32.182 1.00 0.00 H new ATOM 0 HE22 GLN A 69 44.266 22.115 30.691 1.00 0.00 H new ATOM 1146 N GLU A 70 40.962 19.800 36.559 1.00 0.00 N ATOM 1147 CA GLU A 70 39.660 20.149 37.039 1.00 0.00 C ATOM 1148 C GLU A 70 39.492 21.590 37.385 1.00 0.00 C ATOM 1149 O GLU A 70 38.422 22.159 37.178 1.00 0.00 O ATOM 1150 CB GLU A 70 39.254 19.332 38.277 1.00 0.00 C ATOM 1151 CG GLU A 70 39.439 17.816 38.190 1.00 0.00 C ATOM 1152 CD GLU A 70 40.850 17.344 38.512 1.00 0.00 C ATOM 1153 OE1 GLU A 70 41.525 17.955 39.383 1.00 0.00 O ATOM 1154 OE2 GLU A 70 41.303 16.330 37.917 1.00 0.00 O ATOM 0 H GLU A 70 41.567 19.425 37.290 1.00 0.00 H new ATOM 0 HA GLU A 70 39.015 19.918 36.191 1.00 0.00 H new ATOM 0 HB2 GLU A 70 39.828 19.697 39.129 1.00 0.00 H new ATOM 0 HB3 GLU A 70 38.204 19.535 38.490 1.00 0.00 H new ATOM 0 HG2 GLU A 70 38.741 17.335 38.876 1.00 0.00 H new ATOM 0 HG3 GLU A 70 39.177 17.486 37.185 1.00 0.00 H new ATOM 1161 N ASP A 71 40.521 22.217 37.979 1.00 0.00 N ATOM 1162 CA ASP A 71 40.413 23.395 38.783 1.00 0.00 C ATOM 1163 C ASP A 71 39.941 24.621 38.079 1.00 0.00 C ATOM 1164 O ASP A 71 39.431 25.549 38.702 1.00 0.00 O ATOM 1165 CB ASP A 71 41.756 23.687 39.473 1.00 0.00 C ATOM 1166 CG ASP A 71 42.023 22.635 40.540 1.00 0.00 C ATOM 1167 OD1 ASP A 71 41.295 22.620 41.567 1.00 0.00 O ATOM 1168 OD2 ASP A 71 42.980 21.831 40.377 1.00 0.00 O ATOM 0 H ASP A 71 41.481 21.884 37.894 1.00 0.00 H new ATOM 0 HA ASP A 71 39.632 23.162 39.507 1.00 0.00 H new ATOM 0 HB2 ASP A 71 42.561 23.686 38.738 1.00 0.00 H new ATOM 0 HB3 ASP A 71 41.736 24.679 39.924 1.00 0.00 H new ATOM 1173 N LEU A 72 40.043 24.664 36.738 1.00 0.00 N ATOM 1174 CA LEU A 72 39.475 25.712 35.949 1.00 0.00 C ATOM 1175 C LEU A 72 37.993 25.576 35.886 1.00 0.00 C ATOM 1176 O LEU A 72 37.255 26.507 36.203 1.00 0.00 O ATOM 1177 CB LEU A 72 40.110 25.726 34.547 1.00 0.00 C ATOM 1178 CG LEU A 72 41.647 25.764 34.532 1.00 0.00 C ATOM 1179 CD1 LEU A 72 42.161 25.612 33.090 1.00 0.00 C ATOM 1180 CD2 LEU A 72 42.217 27.041 35.172 1.00 0.00 C ATOM 0 H LEU A 72 40.531 23.955 36.191 1.00 0.00 H new ATOM 0 HA LEU A 72 39.692 26.670 36.421 1.00 0.00 H new ATOM 0 HB2 LEU A 72 39.778 24.841 34.005 1.00 0.00 H new ATOM 0 HB3 LEU A 72 39.734 26.593 34.003 1.00 0.00 H new ATOM 0 HG LEU A 72 41.996 24.927 35.137 1.00 0.00 H new ATOM 0 HD11 LEU A 72 43.251 25.640 33.087 1.00 0.00 H new ATOM 0 HD12 LEU A 72 41.821 24.660 32.681 1.00 0.00 H new ATOM 0 HD13 LEU A 72 41.776 26.428 32.478 1.00 0.00 H new ATOM 0 HD21 LEU A 72 43.306 27.013 35.133 1.00 0.00 H new ATOM 0 HD22 LEU A 72 41.857 27.913 34.626 1.00 0.00 H new ATOM 0 HD23 LEU A 72 41.893 27.103 36.211 1.00 0.00 H new ATOM 1192 N LEU A 73 37.468 24.379 35.567 1.00 0.00 N ATOM 1193 CA LEU A 73 36.070 24.143 35.373 1.00 0.00 C ATOM 1194 C LEU A 73 35.281 24.124 36.638 1.00 0.00 C ATOM 1195 O LEU A 73 34.104 24.474 36.700 1.00 0.00 O ATOM 1196 CB LEU A 73 35.894 22.762 34.719 1.00 0.00 C ATOM 1197 CG LEU A 73 36.483 22.719 33.300 1.00 0.00 C ATOM 1198 CD1 LEU A 73 36.856 21.257 32.999 1.00 0.00 C ATOM 1199 CD2 LEU A 73 35.512 23.342 32.282 1.00 0.00 C ATOM 0 H LEU A 73 38.039 23.543 35.439 1.00 0.00 H new ATOM 0 HA LEU A 73 35.703 24.964 34.758 1.00 0.00 H new ATOM 0 HB2 LEU A 73 36.378 22.004 35.336 1.00 0.00 H new ATOM 0 HB3 LEU A 73 34.834 22.512 34.679 1.00 0.00 H new ATOM 0 HG LEU A 73 37.386 23.324 33.223 1.00 0.00 H new ATOM 0 HD11 LEU A 73 37.279 21.188 31.997 1.00 0.00 H new ATOM 0 HD12 LEU A 73 37.590 20.912 33.727 1.00 0.00 H new ATOM 0 HD13 LEU A 73 35.964 20.634 33.060 1.00 0.00 H new ATOM 0 HD21 LEU A 73 35.952 23.299 31.286 1.00 0.00 H new ATOM 0 HD22 LEU A 73 34.574 22.788 32.288 1.00 0.00 H new ATOM 0 HD23 LEU A 73 35.321 24.381 32.550 1.00 0.00 H new ATOM 1211 N SER A 74 35.963 23.720 37.724 1.00 0.00 N ATOM 1212 CA SER A 74 35.509 23.748 39.079 1.00 0.00 C ATOM 1213 C SER A 74 35.126 25.129 39.485 1.00 0.00 C ATOM 1214 O SER A 74 34.006 25.404 39.914 1.00 0.00 O ATOM 1215 CB SER A 74 36.566 23.262 40.084 1.00 0.00 C ATOM 1216 OG SER A 74 36.958 21.928 39.795 1.00 0.00 O ATOM 0 H SER A 74 36.908 23.344 37.646 1.00 0.00 H new ATOM 0 HA SER A 74 34.654 23.072 39.104 1.00 0.00 H new ATOM 0 HB2 SER A 74 37.436 23.918 40.050 1.00 0.00 H new ATOM 0 HB3 SER A 74 36.165 23.317 41.096 1.00 0.00 H new ATOM 0 HG SER A 74 37.376 21.895 38.909 1.00 0.00 H new ATOM 1222 N GLU A 75 36.062 26.074 39.280 1.00 0.00 N ATOM 1223 CA GLU A 75 35.878 27.476 39.493 1.00 0.00 C ATOM 1224 C GLU A 75 34.997 28.125 38.482 1.00 0.00 C ATOM 1225 O GLU A 75 34.381 29.140 38.799 1.00 0.00 O ATOM 1226 CB GLU A 75 37.238 28.194 39.522 1.00 0.00 C ATOM 1227 CG GLU A 75 38.076 27.909 40.770 1.00 0.00 C ATOM 1228 CD GLU A 75 37.836 28.900 41.900 1.00 0.00 C ATOM 1229 OE1 GLU A 75 38.289 30.071 41.788 1.00 0.00 O ATOM 1230 OE2 GLU A 75 37.268 28.489 42.947 1.00 0.00 O ATOM 0 H GLU A 75 36.999 25.846 38.947 1.00 0.00 H new ATOM 0 HA GLU A 75 35.376 27.569 40.456 1.00 0.00 H new ATOM 0 HB2 GLU A 75 37.809 27.901 38.641 1.00 0.00 H new ATOM 0 HB3 GLU A 75 37.070 29.268 39.450 1.00 0.00 H new ATOM 0 HG2 GLU A 75 37.853 26.903 41.126 1.00 0.00 H new ATOM 0 HG3 GLU A 75 39.132 27.925 40.501 1.00 0.00 H new ATOM 1237 N PHE A 76 34.812 27.571 37.271 1.00 0.00 N ATOM 1238 CA PHE A 76 33.939 28.122 36.281 1.00 0.00 C ATOM 1239 C PHE A 76 32.518 28.180 36.725 1.00 0.00 C ATOM 1240 O PHE A 76 31.740 29.061 36.364 1.00 0.00 O ATOM 1241 CB PHE A 76 34.063 27.331 34.968 1.00 0.00 C ATOM 1242 CG PHE A 76 33.593 27.981 33.712 1.00 0.00 C ATOM 1243 CD1 PHE A 76 33.346 29.329 33.596 1.00 0.00 C ATOM 1244 CD2 PHE A 76 33.477 27.194 32.590 1.00 0.00 C ATOM 1245 CE1 PHE A 76 33.028 29.886 32.379 1.00 0.00 C ATOM 1246 CE2 PHE A 76 33.164 27.736 31.366 1.00 0.00 C ATOM 1247 CZ PHE A 76 32.986 29.095 31.256 1.00 0.00 C ATOM 0 H PHE A 76 35.282 26.717 36.972 1.00 0.00 H new ATOM 0 HA PHE A 76 34.254 29.153 36.118 1.00 0.00 H new ATOM 0 HB2 PHE A 76 35.112 27.067 34.835 1.00 0.00 H new ATOM 0 HB3 PHE A 76 33.512 26.398 35.087 1.00 0.00 H new ATOM 0 HD1 PHE A 76 33.402 29.958 34.472 1.00 0.00 H new ATOM 0 HD2 PHE A 76 33.635 26.129 32.672 1.00 0.00 H new ATOM 0 HE1 PHE A 76 32.812 30.942 32.306 1.00 0.00 H new ATOM 0 HE2 PHE A 76 33.059 27.100 30.499 1.00 0.00 H new ATOM 0 HZ PHE A 76 32.813 29.541 30.287 1.00 0.00 H new ATOM 1257 N GLY A 77 32.152 27.269 37.645 1.00 0.00 N ATOM 1258 CA GLY A 77 30.884 27.145 38.294 1.00 0.00 C ATOM 1259 C GLY A 77 30.469 28.299 39.141 1.00 0.00 C ATOM 1260 O GLY A 77 29.293 28.399 39.486 1.00 0.00 O ATOM 0 H GLY A 77 32.807 26.554 37.962 1.00 0.00 H new ATOM 0 HA2 GLY A 77 30.122 26.987 37.531 1.00 0.00 H new ATOM 0 HA3 GLY A 77 30.903 26.251 38.917 1.00 0.00 H new ATOM 1264 N GLN A 78 31.401 29.186 39.535 1.00 0.00 N ATOM 1265 CA GLN A 78 31.180 30.226 40.492 1.00 0.00 C ATOM 1266 C GLN A 78 30.174 31.240 40.067 1.00 0.00 C ATOM 1267 O GLN A 78 29.406 31.753 40.878 1.00 0.00 O ATOM 1268 CB GLN A 78 32.506 30.927 40.836 1.00 0.00 C ATOM 1269 CG GLN A 78 33.142 31.737 39.705 1.00 0.00 C ATOM 1270 CD GLN A 78 34.523 32.279 40.046 1.00 0.00 C ATOM 1271 OE1 GLN A 78 34.771 33.479 39.939 1.00 0.00 O ATOM 1272 NE2 GLN A 78 35.465 31.374 40.426 1.00 0.00 N ATOM 0 H GLN A 78 32.353 29.177 39.169 1.00 0.00 H new ATOM 0 HA GLN A 78 30.769 29.733 41.373 1.00 0.00 H new ATOM 0 HB2 GLN A 78 32.335 31.592 41.682 1.00 0.00 H new ATOM 0 HB3 GLN A 78 33.221 30.172 41.163 1.00 0.00 H new ATOM 0 HG2 GLN A 78 33.216 31.109 38.817 1.00 0.00 H new ATOM 0 HG3 GLN A 78 32.486 32.570 39.453 1.00 0.00 H new ATOM 0 HE21 GLN A 78 35.222 30.387 40.504 1.00 0.00 H new ATOM 0 HE22 GLN A 78 36.415 31.683 40.633 1.00 0.00 H new ATOM 1466 N ASN B 201 29.337 35.577 33.863 1.00 0.00 N ATOM 1467 CA ASN B 201 28.753 34.423 33.254 1.00 0.00 C ATOM 1468 C ASN B 201 29.670 34.115 32.121 1.00 0.00 C ATOM 1469 O ASN B 201 30.733 34.725 32.011 1.00 0.00 O ATOM 1470 CB ASN B 201 27.318 34.718 32.782 1.00 0.00 C ATOM 1471 CG ASN B 201 26.457 33.467 32.682 1.00 0.00 C ATOM 1472 OD1 ASN B 201 26.691 32.605 31.836 1.00 0.00 O ATOM 1473 ND2 ASN B 201 25.411 33.361 33.545 1.00 0.00 N ATOM 0 HA ASN B 201 28.655 33.579 33.937 1.00 0.00 H new ATOM 0 HB2 ASN B 201 26.851 35.420 33.473 1.00 0.00 H new ATOM 0 HB3 ASN B 201 27.355 35.206 31.808 1.00 0.00 H new ATOM 0 HD21 ASN B 201 24.794 32.550 33.502 1.00 0.00 H new ATOM 0 HD22 ASN B 201 25.243 34.093 34.235 1.00 0.00 H new ATOM 1480 N ILE B 202 29.285 33.216 31.197 1.00 0.00 N ATOM 1481 CA ILE B 202 29.962 32.868 29.987 1.00 0.00 C ATOM 1482 C ILE B 202 30.290 34.054 29.146 1.00 0.00 C ATOM 1483 O ILE B 202 31.408 34.209 28.657 1.00 0.00 O ATOM 1484 CB ILE B 202 29.122 31.914 29.188 1.00 0.00 C ATOM 1485 CG1 ILE B 202 28.889 30.558 29.875 1.00 0.00 C ATOM 1486 CG2 ILE B 202 29.649 31.721 27.757 1.00 0.00 C ATOM 1487 CD1 ILE B 202 30.146 29.740 30.163 1.00 0.00 C ATOM 0 H ILE B 202 28.421 32.686 31.310 1.00 0.00 H new ATOM 0 HA ILE B 202 30.903 32.401 30.276 1.00 0.00 H new ATOM 0 HB ILE B 202 28.147 32.397 29.126 1.00 0.00 H new ATOM 0 HG12 ILE B 202 28.367 30.732 30.816 1.00 0.00 H new ATOM 0 HG13 ILE B 202 28.225 29.963 29.248 1.00 0.00 H new ATOM 0 HG21 ILE B 202 29.005 31.022 27.223 1.00 0.00 H new ATOM 0 HG22 ILE B 202 29.653 32.680 27.238 1.00 0.00 H new ATOM 0 HG23 ILE B 202 30.664 31.324 27.793 1.00 0.00 H new ATOM 0 HD11 ILE B 202 29.868 28.804 30.648 1.00 0.00 H new ATOM 0 HD12 ILE B 202 30.662 29.525 29.227 1.00 0.00 H new ATOM 0 HD13 ILE B 202 30.806 30.307 30.820 1.00 0.00 H new ATOM 1499 N GLN B 203 29.314 34.962 28.969 1.00 0.00 N ATOM 1500 CA GLN B 203 29.356 36.141 28.160 1.00 0.00 C ATOM 1501 C GLN B 203 30.534 37.031 28.358 1.00 0.00 C ATOM 1502 O GLN B 203 31.117 37.547 27.405 1.00 0.00 O ATOM 1503 CB GLN B 203 28.022 36.885 28.339 1.00 0.00 C ATOM 1504 CG GLN B 203 27.865 38.220 27.611 1.00 0.00 C ATOM 1505 CD GLN B 203 28.202 39.429 28.474 1.00 0.00 C ATOM 1506 OE1 GLN B 203 28.337 39.344 29.693 1.00 0.00 O ATOM 1507 NE2 GLN B 203 28.310 40.620 27.827 1.00 0.00 N ATOM 0 H GLN B 203 28.413 34.860 29.436 1.00 0.00 H new ATOM 0 HA GLN B 203 29.490 35.816 27.128 1.00 0.00 H new ATOM 0 HB2 GLN B 203 27.220 36.224 28.010 1.00 0.00 H new ATOM 0 HB3 GLN B 203 27.874 37.061 29.404 1.00 0.00 H new ATOM 0 HG2 GLN B 203 28.508 38.222 26.731 1.00 0.00 H new ATOM 0 HG3 GLN B 203 26.838 38.312 27.256 1.00 0.00 H new ATOM 0 HE21 GLN B 203 28.194 40.663 26.815 1.00 0.00 H new ATOM 0 HE22 GLN B 203 28.508 41.471 28.354 1.00 0.00 H new ATOM 1516 N MET B 204 30.982 37.206 29.614 1.00 0.00 N ATOM 1517 CA MET B 204 32.099 38.023 29.973 1.00 0.00 C ATOM 1518 C MET B 204 33.438 37.477 29.613 1.00 0.00 C ATOM 1519 O MET B 204 34.420 38.214 29.559 1.00 0.00 O ATOM 1520 CB MET B 204 32.007 38.435 31.452 1.00 0.00 C ATOM 1521 CG MET B 204 31.267 39.769 31.551 1.00 0.00 C ATOM 1522 SD MET B 204 30.584 40.203 33.180 1.00 0.00 S ATOM 1523 CE MET B 204 32.074 41.079 33.734 1.00 0.00 C ATOM 0 H MET B 204 30.544 36.756 30.418 1.00 0.00 H new ATOM 0 HA MET B 204 32.023 38.914 29.350 1.00 0.00 H new ATOM 0 HB2 MET B 204 31.482 37.670 32.024 1.00 0.00 H new ATOM 0 HB3 MET B 204 33.005 38.525 31.881 1.00 0.00 H new ATOM 0 HG2 MET B 204 31.951 40.561 31.246 1.00 0.00 H new ATOM 0 HG3 MET B 204 30.449 39.759 30.830 1.00 0.00 H new ATOM 0 HE1 MET B 204 31.899 41.506 34.721 1.00 0.00 H new ATOM 0 HE2 MET B 204 32.909 40.381 33.784 1.00 0.00 H new ATOM 0 HE3 MET B 204 32.310 41.877 33.030 1.00 0.00 H new ATOM 1533 N LEU B 205 33.566 36.171 29.315 1.00 0.00 N ATOM 1534 CA LEU B 205 34.829 35.582 28.995 1.00 0.00 C ATOM 1535 C LEU B 205 35.437 35.984 27.694 1.00 0.00 C ATOM 1536 O LEU B 205 36.656 36.022 27.535 1.00 0.00 O ATOM 1537 CB LEU B 205 34.807 34.048 29.097 1.00 0.00 C ATOM 1538 CG LEU B 205 34.564 33.480 30.506 1.00 0.00 C ATOM 1539 CD1 LEU B 205 34.846 31.968 30.471 1.00 0.00 C ATOM 1540 CD2 LEU B 205 35.438 34.141 31.585 1.00 0.00 C ATOM 0 H LEU B 205 32.784 35.516 29.296 1.00 0.00 H new ATOM 0 HA LEU B 205 35.477 36.000 29.765 1.00 0.00 H new ATOM 0 HB2 LEU B 205 34.031 33.668 28.433 1.00 0.00 H new ATOM 0 HB3 LEU B 205 35.758 33.663 28.728 1.00 0.00 H new ATOM 0 HG LEU B 205 33.529 33.689 30.776 1.00 0.00 H new ATOM 0 HD11 LEU B 205 34.680 31.544 31.461 1.00 0.00 H new ATOM 0 HD12 LEU B 205 34.178 31.490 29.755 1.00 0.00 H new ATOM 0 HD13 LEU B 205 35.880 31.798 30.172 1.00 0.00 H new ATOM 0 HD21 LEU B 205 35.218 33.695 32.555 1.00 0.00 H new ATOM 0 HD22 LEU B 205 36.490 33.987 31.345 1.00 0.00 H new ATOM 0 HD23 LEU B 205 35.226 35.210 31.620 1.00 0.00 H new ATOM 1552 N LEU B 206 34.591 36.362 26.718 1.00 0.00 N ATOM 1553 CA LEU B 206 34.993 36.817 25.423 1.00 0.00 C ATOM 1554 C LEU B 206 35.470 38.227 25.487 1.00 0.00 C ATOM 1555 O LEU B 206 36.316 38.668 24.711 1.00 0.00 O ATOM 1556 CB LEU B 206 33.760 36.686 24.512 1.00 0.00 C ATOM 1557 CG LEU B 206 33.205 35.257 24.397 1.00 0.00 C ATOM 1558 CD1 LEU B 206 34.330 34.254 24.090 1.00 0.00 C ATOM 1559 CD2 LEU B 206 32.337 34.776 25.573 1.00 0.00 C ATOM 0 H LEU B 206 33.578 36.350 26.838 1.00 0.00 H new ATOM 0 HA LEU B 206 35.823 36.226 25.035 1.00 0.00 H new ATOM 0 HB2 LEU B 206 32.973 37.339 24.890 1.00 0.00 H new ATOM 0 HB3 LEU B 206 34.020 37.043 23.516 1.00 0.00 H new ATOM 0 HG LEU B 206 32.511 35.303 23.557 1.00 0.00 H new ATOM 0 HD11 LEU B 206 33.912 33.250 24.014 1.00 0.00 H new ATOM 0 HD12 LEU B 206 34.808 34.521 23.147 1.00 0.00 H new ATOM 0 HD13 LEU B 206 35.069 34.279 24.891 1.00 0.00 H new ATOM 0 HD21 LEU B 206 32.001 33.756 25.384 1.00 0.00 H new ATOM 0 HD22 LEU B 206 32.923 34.801 26.492 1.00 0.00 H new ATOM 0 HD23 LEU B 206 31.471 35.430 25.677 1.00 0.00 H new ATOM 1571 N GLU B 207 34.980 38.962 26.501 1.00 0.00 N ATOM 1572 CA GLU B 207 35.316 40.328 26.754 1.00 0.00 C ATOM 1573 C GLU B 207 36.607 40.414 27.493 1.00 0.00 C ATOM 1574 O GLU B 207 37.469 41.239 27.195 1.00 0.00 O ATOM 1575 CB GLU B 207 34.197 41.000 27.570 1.00 0.00 C ATOM 1576 CG GLU B 207 32.865 41.152 26.835 1.00 0.00 C ATOM 1577 CD GLU B 207 32.934 42.114 25.657 1.00 0.00 C ATOM 1578 OE1 GLU B 207 33.507 43.226 25.809 1.00 0.00 O ATOM 1579 OE2 GLU B 207 32.376 41.791 24.575 1.00 0.00 O ATOM 0 H GLU B 207 34.317 38.584 27.178 1.00 0.00 H new ATOM 0 HA GLU B 207 35.423 40.846 25.801 1.00 0.00 H new ATOM 0 HB2 GLU B 207 34.030 40.419 28.477 1.00 0.00 H new ATOM 0 HB3 GLU B 207 34.538 41.987 27.882 1.00 0.00 H new ATOM 0 HG2 GLU B 207 32.541 40.174 26.478 1.00 0.00 H new ATOM 0 HG3 GLU B 207 32.108 41.502 27.537 1.00 0.00 H new ATOM 1586 N ALA B 208 36.807 39.513 28.472 1.00 0.00 N ATOM 1587 CA ALA B 208 38.020 39.338 29.209 1.00 0.00 C ATOM 1588 C ALA B 208 39.157 38.883 28.360 1.00 0.00 C ATOM 1589 O ALA B 208 40.272 39.385 28.488 1.00 0.00 O ATOM 1590 CB ALA B 208 37.774 38.333 30.347 1.00 0.00 C ATOM 0 H ALA B 208 36.075 38.867 28.767 1.00 0.00 H new ATOM 0 HA ALA B 208 38.305 40.311 29.610 1.00 0.00 H new ATOM 0 HB1 ALA B 208 38.694 38.193 30.914 1.00 0.00 H new ATOM 0 HB2 ALA B 208 36.995 38.714 31.007 1.00 0.00 H new ATOM 0 HB3 ALA B 208 37.458 37.378 29.927 1.00 0.00 H new ATOM 1596 N ALA B 209 38.911 37.952 27.420 1.00 0.00 N ATOM 1597 CA ALA B 209 39.860 37.503 26.450 1.00 0.00 C ATOM 1598 C ALA B 209 40.439 38.596 25.620 1.00 0.00 C ATOM 1599 O ALA B 209 41.657 38.733 25.528 1.00 0.00 O ATOM 1600 CB ALA B 209 39.222 36.438 25.543 1.00 0.00 C ATOM 0 H ALA B 209 38.006 37.490 27.333 1.00 0.00 H new ATOM 0 HA ALA B 209 40.690 37.076 27.013 1.00 0.00 H new ATOM 0 HB1 ALA B 209 39.952 36.102 24.807 1.00 0.00 H new ATOM 0 HB2 ALA B 209 38.900 35.590 26.148 1.00 0.00 H new ATOM 0 HB3 ALA B 209 38.361 36.866 25.030 1.00 0.00 H new ATOM 1606 N ASP B 210 39.597 39.461 25.025 1.00 0.00 N ATOM 1607 CA ASP B 210 40.022 40.506 24.147 1.00 0.00 C ATOM 1608 C ASP B 210 40.842 41.563 24.804 1.00 0.00 C ATOM 1609 O ASP B 210 41.836 42.041 24.259 1.00 0.00 O ATOM 1610 CB ASP B 210 38.775 41.109 23.478 1.00 0.00 C ATOM 1611 CG ASP B 210 39.170 41.638 22.105 1.00 0.00 C ATOM 1612 OD1 ASP B 210 39.520 40.783 21.249 1.00 0.00 O ATOM 1613 OD2 ASP B 210 39.184 42.879 21.888 1.00 0.00 O ATOM 0 H ASP B 210 38.586 39.431 25.160 1.00 0.00 H new ATOM 0 HA ASP B 210 40.688 40.064 23.406 1.00 0.00 H new ATOM 0 HB2 ASP B 210 37.994 40.354 23.383 1.00 0.00 H new ATOM 0 HB3 ASP B 210 38.368 41.913 24.091 1.00 0.00 H new ATOM 1618 N TYR B 211 40.466 41.926 26.043 1.00 0.00 N ATOM 1619 CA TYR B 211 41.183 42.771 26.947 1.00 0.00 C ATOM 1620 C TYR B 211 42.544 42.249 27.258 1.00 0.00 C ATOM 1621 O TYR B 211 43.541 42.966 27.186 1.00 0.00 O ATOM 1622 CB TYR B 211 40.284 42.910 28.187 1.00 0.00 C ATOM 1623 CG TYR B 211 40.911 43.490 29.408 1.00 0.00 C ATOM 1624 CD1 TYR B 211 40.872 44.837 29.683 1.00 0.00 C ATOM 1625 CD2 TYR B 211 41.468 42.630 30.325 1.00 0.00 C ATOM 1626 CE1 TYR B 211 41.337 45.317 30.885 1.00 0.00 C ATOM 1627 CE2 TYR B 211 41.942 43.106 31.525 1.00 0.00 C ATOM 1628 CZ TYR B 211 41.854 44.447 31.815 1.00 0.00 C ATOM 1629 OH TYR B 211 42.260 44.901 33.088 1.00 0.00 O ATOM 0 H TYR B 211 39.587 41.600 26.444 1.00 0.00 H new ATOM 0 HA TYR B 211 41.382 43.748 26.507 1.00 0.00 H new ATOM 0 HB2 TYR B 211 39.427 43.528 27.918 1.00 0.00 H new ATOM 0 HB3 TYR B 211 39.898 41.922 28.439 1.00 0.00 H new ATOM 0 HD1 TYR B 211 40.473 45.523 28.950 1.00 0.00 H new ATOM 0 HD2 TYR B 211 41.534 41.575 30.102 1.00 0.00 H new ATOM 0 HE1 TYR B 211 41.296 46.375 31.098 1.00 0.00 H new ATOM 0 HE2 TYR B 211 42.383 42.427 32.239 1.00 0.00 H new ATOM 0 HH TYR B 211 42.599 44.145 33.612 1.00 0.00 H new ATOM 1639 N LEU B 212 42.659 40.951 27.590 1.00 0.00 N ATOM 1640 CA LEU B 212 43.904 40.334 27.932 1.00 0.00 C ATOM 1641 C LEU B 212 44.868 40.214 26.802 1.00 0.00 C ATOM 1642 O LEU B 212 46.077 40.196 27.025 1.00 0.00 O ATOM 1643 CB LEU B 212 43.661 38.976 28.613 1.00 0.00 C ATOM 1644 CG LEU B 212 43.751 39.035 30.147 1.00 0.00 C ATOM 1645 CD1 LEU B 212 43.103 37.761 30.714 1.00 0.00 C ATOM 1646 CD2 LEU B 212 45.194 39.171 30.660 1.00 0.00 C ATOM 0 H LEU B 212 41.864 40.312 27.622 1.00 0.00 H new ATOM 0 HA LEU B 212 44.388 41.010 28.637 1.00 0.00 H new ATOM 0 HB2 LEU B 212 42.676 38.607 28.329 1.00 0.00 H new ATOM 0 HB3 LEU B 212 44.390 38.256 28.241 1.00 0.00 H new ATOM 0 HG LEU B 212 43.225 39.928 30.485 1.00 0.00 H new ATOM 0 HD11 LEU B 212 43.155 37.780 31.803 1.00 0.00 H new ATOM 0 HD12 LEU B 212 42.060 37.713 30.401 1.00 0.00 H new ATOM 0 HD13 LEU B 212 43.634 36.885 30.341 1.00 0.00 H new ATOM 0 HD21 LEU B 212 45.191 39.207 31.749 1.00 0.00 H new ATOM 0 HD22 LEU B 212 45.781 38.315 30.327 1.00 0.00 H new ATOM 0 HD23 LEU B 212 45.635 40.087 30.268 1.00 0.00 H new ATOM 1658 N GLU B 213 44.391 40.178 25.545 1.00 0.00 N ATOM 1659 CA GLU B 213 45.203 40.253 24.370 1.00 0.00 C ATOM 1660 C GLU B 213 45.887 41.569 24.233 1.00 0.00 C ATOM 1661 O GLU B 213 47.054 41.663 23.859 1.00 0.00 O ATOM 1662 CB GLU B 213 44.409 39.942 23.089 1.00 0.00 C ATOM 1663 CG GLU B 213 43.979 38.478 22.971 1.00 0.00 C ATOM 1664 CD GLU B 213 43.197 38.129 21.713 1.00 0.00 C ATOM 1665 OE1 GLU B 213 43.603 38.532 20.591 1.00 0.00 O ATOM 1666 OE2 GLU B 213 42.166 37.413 21.830 1.00 0.00 O ATOM 0 H GLU B 213 43.396 40.093 25.339 1.00 0.00 H new ATOM 0 HA GLU B 213 45.966 39.485 24.496 1.00 0.00 H new ATOM 0 HB2 GLU B 213 43.522 40.575 23.059 1.00 0.00 H new ATOM 0 HB3 GLU B 213 45.017 40.204 22.223 1.00 0.00 H new ATOM 0 HG2 GLU B 213 44.869 37.851 23.011 1.00 0.00 H new ATOM 0 HG3 GLU B 213 43.371 38.224 23.839 1.00 0.00 H new ATOM 1673 N ARG B 214 45.207 42.674 24.586 1.00 0.00 N ATOM 1674 CA ARG B 214 45.779 43.985 24.574 1.00 0.00 C ATOM 1675 C ARG B 214 46.780 44.219 25.653 1.00 0.00 C ATOM 1676 O ARG B 214 47.816 44.841 25.421 1.00 0.00 O ATOM 1677 CB ARG B 214 44.692 45.074 24.575 1.00 0.00 C ATOM 1678 CG ARG B 214 43.971 45.144 23.227 1.00 0.00 C ATOM 1679 CD ARG B 214 42.985 46.308 23.119 1.00 0.00 C ATOM 1680 NE ARG B 214 42.502 46.415 21.713 1.00 0.00 N ATOM 1681 CZ ARG B 214 43.168 47.083 20.727 1.00 0.00 C ATOM 1682 NH1 ARG B 214 44.435 47.566 20.888 1.00 0.00 N ATOM 1683 NH2 ARG B 214 42.553 47.296 19.527 1.00 0.00 N ATOM 0 H ARG B 214 44.233 42.656 24.888 1.00 0.00 H new ATOM 0 HA ARG B 214 46.334 44.051 23.638 1.00 0.00 H new ATOM 0 HB2 ARG B 214 43.970 44.869 25.365 1.00 0.00 H new ATOM 0 HB3 ARG B 214 45.143 46.041 24.799 1.00 0.00 H new ATOM 0 HG2 ARG B 214 44.712 45.232 22.432 1.00 0.00 H new ATOM 0 HG3 ARG B 214 43.436 44.209 23.062 1.00 0.00 H new ATOM 0 HD2 ARG B 214 42.144 46.151 23.794 1.00 0.00 H new ATOM 0 HD3 ARG B 214 43.467 47.237 23.422 1.00 0.00 H new ATOM 0 HE ARG B 214 41.620 45.961 21.473 1.00 0.00 H new ATOM 0 HH11 ARG B 214 44.923 47.433 21.774 1.00 0.00 H new ATOM 0 HH12 ARG B 214 44.894 48.060 20.122 1.00 0.00 H new ATOM 0 HH21 ARG B 214 41.603 46.957 19.373 1.00 0.00 H new ATOM 0 HH22 ARG B 214 43.043 47.794 18.784 1.00 0.00 H new ATOM 1697 N ARG B 215 46.559 43.669 26.860 1.00 0.00 N ATOM 1698 CA ARG B 215 47.461 43.698 27.970 1.00 0.00 C ATOM 1699 C ARG B 215 48.846 43.207 27.725 1.00 0.00 C ATOM 1700 O ARG B 215 49.796 43.664 28.358 1.00 0.00 O ATOM 1701 CB ARG B 215 46.823 42.946 29.151 1.00 0.00 C ATOM 1702 CG ARG B 215 46.308 43.865 30.262 1.00 0.00 C ATOM 1703 CD ARG B 215 45.325 44.960 29.842 1.00 0.00 C ATOM 1704 NE ARG B 215 45.000 45.692 31.098 1.00 0.00 N ATOM 1705 CZ ARG B 215 44.533 46.974 31.150 1.00 0.00 C ATOM 1706 NH1 ARG B 215 44.559 47.824 30.082 1.00 0.00 N ATOM 1707 NH2 ARG B 215 44.029 47.438 32.329 1.00 0.00 N ATOM 0 H ARG B 215 45.694 43.172 27.074 1.00 0.00 H new ATOM 0 HA ARG B 215 47.607 44.756 28.188 1.00 0.00 H new ATOM 0 HB2 ARG B 215 45.996 42.341 28.780 1.00 0.00 H new ATOM 0 HB3 ARG B 215 47.557 42.259 29.572 1.00 0.00 H new ATOM 0 HG2 ARG B 215 45.827 43.247 31.020 1.00 0.00 H new ATOM 0 HG3 ARG B 215 47.166 44.341 30.736 1.00 0.00 H new ATOM 0 HD2 ARG B 215 45.769 45.625 29.101 1.00 0.00 H new ATOM 0 HD3 ARG B 215 44.429 44.534 29.391 1.00 0.00 H new ATOM 0 HE ARG B 215 45.136 45.201 31.982 1.00 0.00 H new ATOM 0 HH11 ARG B 215 44.941 47.510 29.190 1.00 0.00 H new ATOM 0 HH12 ARG B 215 44.196 48.773 30.176 1.00 0.00 H new ATOM 0 HH21 ARG B 215 44.007 46.831 33.148 1.00 0.00 H new ATOM 0 HH22 ARG B 215 43.674 48.392 32.392 1.00 0.00 H new