USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 422 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 490 MET CE :methyl 175:sc= -0.0722 (180deg=-0.0791) USER MOD Set 1.2: A 495 SER OG : rot 130:sc= -0.544 USER MOD Single : A 440 SER OG : rot 180:sc= 0 USER MOD Single : A 442 THR OG1 : rot 180:sc= 0 USER MOD Single : A 445 TYR OH : rot 22:sc= -1.02 USER MOD Single : A 446 SER OG : rot 180:sc= 0 USER MOD Single : A 447 ASN : amide:sc= -0.0639 X(o=-0.064,f=-0.064) USER MOD Single : A 449 SER OG : rot 180:sc= 0 USER MOD Single : A 452 SER OG : rot 170:sc= 0.0644 USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 SER OG : rot -140:sc= 0.381 USER MOD Single : A 457 SER OG : rot 180:sc= 0 USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 461 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 463 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 465 MET CE :methyl 174:sc= 0 (180deg=-0.0323) USER MOD Single : A 467 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 469 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 471 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 473 GLN : amide:sc= -0.951 K(o=-0.95,f=-0.42) USER MOD Single : A 477 SER OG : rot 180:sc= 0 USER MOD Single : A 483 THR OG1 : rot 180:sc= 0.13 USER MOD Single : A 484 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 487 GLN : amide:sc= 0.864 K(o=0.86,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 439 12.653 -3.692 -10.511 1.00 0.00 N ATOM 2 CA GLY A 439 11.383 -3.655 -9.784 1.00 0.00 C ATOM 3 C GLY A 439 11.597 -3.626 -8.288 1.00 0.00 C ATOM 4 O GLY A 439 11.920 -2.572 -7.735 1.00 0.00 O ATOM 0 HA2 GLY A 439 10.815 -2.776 -10.088 1.00 0.00 H new ATOM 0 HA3 GLY A 439 10.786 -4.527 -10.050 1.00 0.00 H new ATOM 8 N SER A 440 11.413 -4.764 -7.622 1.00 0.00 N ATOM 9 CA SER A 440 11.563 -4.921 -6.186 1.00 0.00 C ATOM 10 C SER A 440 12.452 -6.139 -5.938 1.00 0.00 C ATOM 11 O SER A 440 11.999 -7.261 -5.693 1.00 0.00 O ATOM 12 CB SER A 440 10.173 -5.021 -5.567 1.00 0.00 C ATOM 13 OG SER A 440 10.032 -4.209 -4.415 1.00 0.00 O ATOM 0 H SER A 440 11.146 -5.631 -8.089 1.00 0.00 H new ATOM 0 HA SER A 440 12.052 -4.070 -5.712 1.00 0.00 H new ATOM 0 HB2 SER A 440 9.428 -4.729 -6.307 1.00 0.00 H new ATOM 0 HB3 SER A 440 9.970 -6.059 -5.303 1.00 0.00 H new ATOM 0 HG SER A 440 9.125 -4.305 -4.056 1.00 0.00 H new ATOM 19 N GLU A 441 13.750 -5.911 -6.026 1.00 0.00 N ATOM 20 CA GLU A 441 14.817 -6.855 -5.839 1.00 0.00 C ATOM 21 C GLU A 441 15.998 -6.172 -5.143 1.00 0.00 C ATOM 22 O GLU A 441 16.646 -6.801 -4.308 1.00 0.00 O ATOM 23 CB GLU A 441 15.197 -7.424 -7.202 1.00 0.00 C ATOM 24 CG GLU A 441 15.658 -6.441 -8.288 1.00 0.00 C ATOM 25 CD GLU A 441 14.545 -5.561 -8.840 1.00 0.00 C ATOM 26 OE1 GLU A 441 13.530 -6.076 -9.363 1.00 0.00 O ATOM 27 OE2 GLU A 441 14.647 -4.318 -8.716 1.00 0.00 O ATOM 0 H GLU A 441 14.105 -4.981 -6.249 1.00 0.00 H new ATOM 0 HA GLU A 441 14.504 -7.678 -5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 441 15.994 -8.152 -7.050 1.00 0.00 H new ATOM 0 HB3 GLU A 441 14.336 -7.970 -7.588 1.00 0.00 H new ATOM 0 HG2 GLU A 441 16.441 -5.804 -7.878 1.00 0.00 H new ATOM 0 HG3 GLU A 441 16.102 -7.004 -9.108 1.00 0.00 H new ATOM 34 N THR A 442 16.266 -4.901 -5.464 1.00 0.00 N ATOM 35 CA THR A 442 17.348 -4.120 -4.865 1.00 0.00 C ATOM 36 C THR A 442 16.903 -3.489 -3.545 1.00 0.00 C ATOM 37 O THR A 442 17.726 -2.927 -2.832 1.00 0.00 O ATOM 38 CB THR A 442 17.916 -3.038 -5.813 1.00 0.00 C ATOM 39 OG1 THR A 442 16.917 -2.258 -6.449 1.00 0.00 O ATOM 40 CG2 THR A 442 18.806 -3.644 -6.897 1.00 0.00 C ATOM 0 H THR A 442 15.728 -4.381 -6.157 1.00 0.00 H new ATOM 0 HA THR A 442 18.157 -4.825 -4.671 1.00 0.00 H new ATOM 0 HB THR A 442 18.500 -2.386 -5.163 1.00 0.00 H new ATOM 0 HG1 THR A 442 17.342 -1.594 -7.031 1.00 0.00 H new ATOM 0 HG21 THR A 442 19.185 -2.851 -7.542 1.00 0.00 H new ATOM 0 HG22 THR A 442 19.643 -4.164 -6.432 1.00 0.00 H new ATOM 0 HG23 THR A 442 18.226 -4.349 -7.492 1.00 0.00 H new ATOM 48 N CYS A 443 15.621 -3.598 -3.211 1.00 0.00 N ATOM 49 CA CYS A 443 14.999 -3.067 -2.018 1.00 0.00 C ATOM 50 C CYS A 443 14.137 -4.172 -1.429 1.00 0.00 C ATOM 51 O CYS A 443 13.432 -4.862 -2.170 1.00 0.00 O ATOM 52 CB CYS A 443 14.127 -1.875 -2.416 1.00 0.00 C ATOM 53 SG CYS A 443 15.013 -0.475 -3.149 1.00 0.00 S ATOM 0 H CYS A 443 14.955 -4.090 -3.806 1.00 0.00 H new ATOM 0 HA CYS A 443 15.739 -2.738 -1.288 1.00 0.00 H new ATOM 0 HB2 CYS A 443 13.374 -2.218 -3.125 1.00 0.00 H new ATOM 0 HB3 CYS A 443 13.595 -1.524 -1.532 1.00 0.00 H new ATOM 58 N ILE A 444 14.196 -4.340 -0.111 1.00 0.00 N ATOM 59 CA ILE A 444 13.444 -5.333 0.638 1.00 0.00 C ATOM 60 C ILE A 444 12.859 -4.562 1.798 1.00 0.00 C ATOM 61 O ILE A 444 13.567 -4.125 2.706 1.00 0.00 O ATOM 62 CB ILE A 444 14.337 -6.503 1.084 1.00 0.00 C ATOM 63 CG1 ILE A 444 14.798 -7.357 -0.112 1.00 0.00 C ATOM 64 CG2 ILE A 444 13.657 -7.391 2.144 1.00 0.00 C ATOM 65 CD1 ILE A 444 13.695 -8.128 -0.852 1.00 0.00 C ATOM 0 H ILE A 444 14.792 -3.765 0.484 1.00 0.00 H new ATOM 0 HA ILE A 444 12.664 -5.808 0.043 1.00 0.00 H new ATOM 0 HB ILE A 444 15.216 -6.053 1.545 1.00 0.00 H new ATOM 0 HG12 ILE A 444 15.300 -6.705 -0.827 1.00 0.00 H new ATOM 0 HG13 ILE A 444 15.540 -8.073 0.242 1.00 0.00 H new ATOM 0 HG21 ILE A 444 14.329 -8.202 2.425 1.00 0.00 H new ATOM 0 HG22 ILE A 444 13.423 -6.792 3.024 1.00 0.00 H new ATOM 0 HG23 ILE A 444 12.737 -7.808 1.734 1.00 0.00 H new ATOM 0 HD11 ILE A 444 14.135 -8.693 -1.674 1.00 0.00 H new ATOM 0 HD12 ILE A 444 13.205 -8.814 -0.161 1.00 0.00 H new ATOM 0 HD13 ILE A 444 12.962 -7.425 -1.247 1.00 0.00 H new ATOM 77 N TYR A 445 11.568 -4.313 1.720 1.00 0.00 N ATOM 78 CA TYR A 445 10.837 -3.584 2.723 1.00 0.00 C ATOM 79 C TYR A 445 10.242 -4.581 3.725 1.00 0.00 C ATOM 80 O TYR A 445 10.320 -5.803 3.550 1.00 0.00 O ATOM 81 CB TYR A 445 9.760 -2.771 2.003 1.00 0.00 C ATOM 82 CG TYR A 445 10.226 -1.953 0.803 1.00 0.00 C ATOM 83 CD1 TYR A 445 10.267 -2.521 -0.488 1.00 0.00 C ATOM 84 CD2 TYR A 445 10.595 -0.606 0.965 1.00 0.00 C ATOM 85 CE1 TYR A 445 10.729 -1.785 -1.591 1.00 0.00 C ATOM 86 CE2 TYR A 445 11.044 0.141 -0.137 1.00 0.00 C ATOM 87 CZ TYR A 445 11.140 -0.450 -1.414 1.00 0.00 C ATOM 88 OH TYR A 445 11.659 0.260 -2.452 1.00 0.00 O ATOM 0 H TYR A 445 10.990 -4.621 0.938 1.00 0.00 H new ATOM 0 HA TYR A 445 11.475 -2.902 3.285 1.00 0.00 H new ATOM 0 HB2 TYR A 445 8.980 -3.455 1.670 1.00 0.00 H new ATOM 0 HB3 TYR A 445 9.303 -2.093 2.724 1.00 0.00 H new ATOM 0 HD1 TYR A 445 9.937 -3.540 -0.630 1.00 0.00 H new ATOM 0 HD2 TYR A 445 10.533 -0.144 1.939 1.00 0.00 H new ATOM 0 HE1 TYR A 445 10.769 -2.240 -2.570 1.00 0.00 H new ATOM 0 HE2 TYR A 445 11.318 1.177 -0.005 1.00 0.00 H new ATOM 0 HH TYR A 445 11.370 -0.140 -3.299 1.00 0.00 H new ATOM 98 N SER A 446 9.675 -4.065 4.813 1.00 0.00 N ATOM 99 CA SER A 446 9.043 -4.883 5.834 1.00 0.00 C ATOM 100 C SER A 446 7.610 -5.200 5.409 1.00 0.00 C ATOM 101 O SER A 446 7.086 -4.658 4.431 1.00 0.00 O ATOM 102 CB SER A 446 9.099 -4.184 7.203 1.00 0.00 C ATOM 103 OG SER A 446 8.979 -5.116 8.262 1.00 0.00 O ATOM 0 H SER A 446 9.643 -3.064 5.008 1.00 0.00 H new ATOM 0 HA SER A 446 9.584 -5.823 5.939 1.00 0.00 H new ATOM 0 HB2 SER A 446 10.039 -3.641 7.298 1.00 0.00 H new ATOM 0 HB3 SER A 446 8.298 -3.448 7.271 1.00 0.00 H new ATOM 0 HG SER A 446 9.020 -4.644 9.120 1.00 0.00 H new ATOM 109 N ASN A 447 6.993 -6.119 6.150 1.00 0.00 N ATOM 110 CA ASN A 447 5.639 -6.593 5.968 1.00 0.00 C ATOM 111 C ASN A 447 4.727 -5.384 6.135 1.00 0.00 C ATOM 112 O ASN A 447 4.610 -4.899 7.264 1.00 0.00 O ATOM 113 CB ASN A 447 5.355 -7.665 7.033 1.00 0.00 C ATOM 114 CG ASN A 447 6.305 -8.851 6.968 1.00 0.00 C ATOM 115 OD1 ASN A 447 7.145 -9.026 7.849 1.00 0.00 O ATOM 116 ND2 ASN A 447 6.223 -9.670 5.941 1.00 0.00 N ATOM 0 H ASN A 447 7.459 -6.573 6.936 1.00 0.00 H new ATOM 0 HA ASN A 447 5.477 -7.041 4.988 1.00 0.00 H new ATOM 0 HB2 ASN A 447 5.421 -7.210 8.021 1.00 0.00 H new ATOM 0 HB3 ASN A 447 4.332 -8.022 6.914 1.00 0.00 H new ATOM 0 HD21 ASN A 447 6.861 -10.462 5.868 1.00 0.00 H new ATOM 0 HD22 ASN A 447 5.521 -9.512 5.218 1.00 0.00 H new ATOM 123 N TRP A 448 4.106 -4.919 5.043 1.00 0.00 N ATOM 124 CA TRP A 448 3.216 -3.759 4.996 1.00 0.00 C ATOM 125 C TRP A 448 2.347 -3.588 6.231 1.00 0.00 C ATOM 126 O TRP A 448 1.752 -4.554 6.722 1.00 0.00 O ATOM 127 CB TRP A 448 2.250 -3.831 3.800 1.00 0.00 C ATOM 128 CG TRP A 448 2.788 -3.508 2.446 1.00 0.00 C ATOM 129 CD1 TRP A 448 2.983 -4.387 1.440 1.00 0.00 C ATOM 130 CD2 TRP A 448 3.140 -2.202 1.904 1.00 0.00 C ATOM 131 NE1 TRP A 448 3.447 -3.723 0.324 1.00 0.00 N ATOM 132 CE2 TRP A 448 3.583 -2.375 0.561 1.00 0.00 C ATOM 133 CE3 TRP A 448 3.142 -0.885 2.410 1.00 0.00 C ATOM 134 CZ2 TRP A 448 4.065 -1.310 -0.209 1.00 0.00 C ATOM 135 CZ3 TRP A 448 3.635 0.187 1.648 1.00 0.00 C ATOM 136 CH2 TRP A 448 4.141 -0.031 0.362 1.00 0.00 C ATOM 0 H TRP A 448 4.217 -5.362 4.131 1.00 0.00 H new ATOM 0 HA TRP A 448 3.902 -2.915 4.917 1.00 0.00 H new ATOM 0 HB2 TRP A 448 1.837 -4.839 3.764 1.00 0.00 H new ATOM 0 HB3 TRP A 448 1.420 -3.154 4.000 1.00 0.00 H new ATOM 0 HD1 TRP A 448 2.803 -5.450 1.500 1.00 0.00 H new ATOM 0 HE1 TRP A 448 3.662 -4.175 -0.565 1.00 0.00 H new ATOM 0 HE3 TRP A 448 2.757 -0.698 3.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 448 4.375 -1.471 -1.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 448 3.623 1.186 2.058 1.00 0.00 H new ATOM 0 HH2 TRP A 448 4.589 0.783 -0.189 1.00 0.00 H new ATOM 147 N SER A 449 2.297 -2.362 6.743 1.00 0.00 N ATOM 148 CA SER A 449 1.446 -2.065 7.877 1.00 0.00 C ATOM 149 C SER A 449 0.001 -2.043 7.340 1.00 0.00 C ATOM 150 O SER A 449 -0.216 -2.054 6.116 1.00 0.00 O ATOM 151 CB SER A 449 1.872 -0.720 8.484 1.00 0.00 C ATOM 152 OG SER A 449 2.829 -0.965 9.501 1.00 0.00 O ATOM 0 H SER A 449 2.833 -1.569 6.391 1.00 0.00 H new ATOM 0 HA SER A 449 1.524 -2.806 8.673 1.00 0.00 H new ATOM 0 HB2 SER A 449 2.295 -0.075 7.714 1.00 0.00 H new ATOM 0 HB3 SER A 449 1.007 -0.200 8.896 1.00 0.00 H new ATOM 0 HG SER A 449 3.111 -0.114 9.896 1.00 0.00 H new ATOM 158 N PRO A 450 -1.011 -2.070 8.219 1.00 0.00 N ATOM 159 CA PRO A 450 -2.394 -2.021 7.783 1.00 0.00 C ATOM 160 C PRO A 450 -2.628 -0.695 7.085 1.00 0.00 C ATOM 161 O PRO A 450 -1.874 0.269 7.256 1.00 0.00 O ATOM 162 CB PRO A 450 -3.252 -2.107 9.048 1.00 0.00 C ATOM 163 CG PRO A 450 -2.309 -1.653 10.154 1.00 0.00 C ATOM 164 CD PRO A 450 -0.927 -2.071 9.667 1.00 0.00 C ATOM 0 HA PRO A 450 -2.640 -2.830 7.095 1.00 0.00 H new ATOM 0 HB2 PRO A 450 -4.130 -1.464 8.981 1.00 0.00 H new ATOM 0 HB3 PRO A 450 -3.612 -3.121 9.220 1.00 0.00 H new ATOM 0 HG2 PRO A 450 -2.367 -0.576 10.309 1.00 0.00 H new ATOM 0 HG3 PRO A 450 -2.555 -2.125 11.105 1.00 0.00 H new ATOM 0 HD2 PRO A 450 -0.161 -1.378 10.016 1.00 0.00 H new ATOM 0 HD3 PRO A 450 -0.660 -3.058 10.044 1.00 0.00 H new ATOM 172 N TRP A 451 -3.659 -0.679 6.251 1.00 0.00 N ATOM 173 CA TRP A 451 -4.024 0.531 5.557 1.00 0.00 C ATOM 174 C TRP A 451 -4.430 1.540 6.633 1.00 0.00 C ATOM 175 O TRP A 451 -4.806 1.157 7.747 1.00 0.00 O ATOM 176 CB TRP A 451 -5.148 0.205 4.584 1.00 0.00 C ATOM 177 CG TRP A 451 -4.804 -0.757 3.484 1.00 0.00 C ATOM 178 CD1 TRP A 451 -5.128 -2.069 3.465 1.00 0.00 C ATOM 179 CD2 TRP A 451 -4.130 -0.510 2.215 1.00 0.00 C ATOM 180 NE1 TRP A 451 -4.711 -2.635 2.278 1.00 0.00 N ATOM 181 CE2 TRP A 451 -4.055 -1.726 1.481 1.00 0.00 C ATOM 182 CE3 TRP A 451 -3.581 0.628 1.604 1.00 0.00 C ATOM 183 CZ2 TRP A 451 -3.424 -1.810 0.231 1.00 0.00 C ATOM 184 CZ3 TRP A 451 -2.955 0.570 0.352 1.00 0.00 C ATOM 185 CH2 TRP A 451 -2.847 -0.654 -0.323 1.00 0.00 C ATOM 0 H TRP A 451 -4.248 -1.486 6.045 1.00 0.00 H new ATOM 0 HA TRP A 451 -3.212 0.957 4.967 1.00 0.00 H new ATOM 0 HB2 TRP A 451 -5.985 -0.204 5.150 1.00 0.00 H new ATOM 0 HB3 TRP A 451 -5.493 1.135 4.132 1.00 0.00 H new ATOM 0 HD1 TRP A 451 -5.637 -2.595 4.259 1.00 0.00 H new ATOM 0 HE1 TRP A 451 -4.870 -3.610 2.022 1.00 0.00 H new ATOM 0 HE3 TRP A 451 -3.643 1.578 2.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 451 -3.382 -2.750 -0.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 451 -2.555 1.469 -0.094 1.00 0.00 H new ATOM 0 HH2 TRP A 451 -2.322 -0.709 -1.265 1.00 0.00 H new ATOM 196 N SER A 452 -4.311 2.827 6.332 1.00 0.00 N ATOM 197 CA SER A 452 -4.660 3.866 7.284 1.00 0.00 C ATOM 198 C SER A 452 -6.158 3.754 7.495 1.00 0.00 C ATOM 199 O SER A 452 -6.646 3.315 8.541 1.00 0.00 O ATOM 200 CB SER A 452 -4.229 5.246 6.762 1.00 0.00 C ATOM 201 OG SER A 452 -4.211 5.344 5.352 1.00 0.00 O ATOM 0 H SER A 452 -3.975 3.174 5.434 1.00 0.00 H new ATOM 0 HA SER A 452 -4.142 3.746 8.235 1.00 0.00 H new ATOM 0 HB2 SER A 452 -4.906 6.002 7.161 1.00 0.00 H new ATOM 0 HB3 SER A 452 -3.234 5.474 7.145 1.00 0.00 H new ATOM 0 HG SER A 452 -4.088 6.280 5.091 1.00 0.00 H new ATOM 207 N ALA A 453 -6.869 4.105 6.433 1.00 0.00 N ATOM 208 CA ALA A 453 -8.297 4.089 6.347 1.00 0.00 C ATOM 209 C ALA A 453 -8.677 4.121 4.878 1.00 0.00 C ATOM 210 O ALA A 453 -7.873 4.459 4.004 1.00 0.00 O ATOM 211 CB ALA A 453 -8.820 5.355 7.020 1.00 0.00 C ATOM 0 H ALA A 453 -6.429 4.423 5.570 1.00 0.00 H new ATOM 0 HA ALA A 453 -8.713 3.203 6.827 1.00 0.00 H new ATOM 0 HB1 ALA A 453 -9.909 5.371 6.970 1.00 0.00 H new ATOM 0 HB2 ALA A 453 -8.505 5.369 8.063 1.00 0.00 H new ATOM 0 HB3 ALA A 453 -8.421 6.231 6.508 1.00 0.00 H new ATOM 217 N CYS A 454 -9.920 3.759 4.622 1.00 0.00 N ATOM 218 CA CYS A 454 -10.531 3.748 3.319 1.00 0.00 C ATOM 219 C CYS A 454 -11.007 5.175 3.137 1.00 0.00 C ATOM 220 O CYS A 454 -11.772 5.660 3.978 1.00 0.00 O ATOM 221 CB CYS A 454 -11.737 2.809 3.378 1.00 0.00 C ATOM 222 SG CYS A 454 -12.492 2.099 1.907 1.00 0.00 S ATOM 0 H CYS A 454 -10.556 3.451 5.357 1.00 0.00 H new ATOM 0 HA CYS A 454 -9.870 3.421 2.516 1.00 0.00 H new ATOM 0 HB2 CYS A 454 -11.448 1.972 4.013 1.00 0.00 H new ATOM 0 HB3 CYS A 454 -12.526 3.349 3.902 1.00 0.00 H new ATOM 227 N SER A 455 -10.563 5.857 2.083 1.00 0.00 N ATOM 228 CA SER A 455 -11.028 7.218 1.840 1.00 0.00 C ATOM 229 C SER A 455 -12.556 7.161 1.651 1.00 0.00 C ATOM 230 O SER A 455 -13.230 8.167 1.881 1.00 0.00 O ATOM 231 CB SER A 455 -10.278 7.828 0.653 1.00 0.00 C ATOM 232 OG SER A 455 -10.639 9.178 0.433 1.00 0.00 O ATOM 0 H SER A 455 -9.897 5.499 1.398 1.00 0.00 H new ATOM 0 HA SER A 455 -10.817 7.876 2.683 1.00 0.00 H new ATOM 0 HB2 SER A 455 -9.205 7.765 0.832 1.00 0.00 H new ATOM 0 HB3 SER A 455 -10.487 7.246 -0.245 1.00 0.00 H new ATOM 0 HG SER A 455 -10.137 9.530 -0.332 1.00 0.00 H new ATOM 238 N SER A 456 -13.110 6.008 1.246 1.00 0.00 N ATOM 239 CA SER A 456 -14.543 5.834 1.088 1.00 0.00 C ATOM 240 C SER A 456 -15.110 5.416 2.448 1.00 0.00 C ATOM 241 O SER A 456 -14.628 4.451 3.045 1.00 0.00 O ATOM 242 CB SER A 456 -14.847 4.741 0.066 1.00 0.00 C ATOM 243 OG SER A 456 -15.301 5.294 -1.143 1.00 0.00 O ATOM 0 H SER A 456 -12.567 5.175 1.021 1.00 0.00 H new ATOM 0 HA SER A 456 -14.990 6.764 0.737 1.00 0.00 H new ATOM 0 HB2 SER A 456 -13.950 4.148 -0.115 1.00 0.00 H new ATOM 0 HB3 SER A 456 -15.601 4.064 0.466 1.00 0.00 H new ATOM 0 HG SER A 456 -16.024 4.741 -1.505 1.00 0.00 H new ATOM 249 N SER A 457 -16.134 6.119 2.930 1.00 0.00 N ATOM 250 CA SER A 457 -16.816 5.848 4.194 1.00 0.00 C ATOM 251 C SER A 457 -18.228 5.319 3.918 1.00 0.00 C ATOM 252 O SER A 457 -19.049 5.255 4.827 1.00 0.00 O ATOM 253 CB SER A 457 -16.825 7.108 5.068 1.00 0.00 C ATOM 254 OG SER A 457 -16.855 6.789 6.449 1.00 0.00 O ATOM 0 H SER A 457 -16.525 6.920 2.434 1.00 0.00 H new ATOM 0 HA SER A 457 -16.280 5.077 4.747 1.00 0.00 H new ATOM 0 HB2 SER A 457 -15.940 7.707 4.852 1.00 0.00 H new ATOM 0 HB3 SER A 457 -17.692 7.719 4.817 1.00 0.00 H new ATOM 0 HG SER A 457 -16.858 7.615 6.976 1.00 0.00 H new ATOM 260 N THR A 458 -18.519 4.968 2.668 1.00 0.00 N ATOM 261 CA THR A 458 -19.776 4.442 2.177 1.00 0.00 C ATOM 262 C THR A 458 -19.439 3.289 1.229 1.00 0.00 C ATOM 263 O THR A 458 -18.260 2.992 1.000 1.00 0.00 O ATOM 264 CB THR A 458 -20.573 5.574 1.502 1.00 0.00 C ATOM 265 OG1 THR A 458 -19.812 6.202 0.482 1.00 0.00 O ATOM 266 CG2 THR A 458 -21.012 6.639 2.512 1.00 0.00 C ATOM 0 H THR A 458 -17.828 5.053 1.923 1.00 0.00 H new ATOM 0 HA THR A 458 -20.410 4.059 2.976 1.00 0.00 H new ATOM 0 HB THR A 458 -21.457 5.110 1.065 1.00 0.00 H new ATOM 0 HG1 THR A 458 -20.343 6.915 0.070 1.00 0.00 H new ATOM 0 HG21 THR A 458 -21.571 7.420 1.997 1.00 0.00 H new ATOM 0 HG22 THR A 458 -21.645 6.181 3.272 1.00 0.00 H new ATOM 0 HG23 THR A 458 -20.133 7.075 2.986 1.00 0.00 H new ATOM 274 N CYS A 459 -20.441 2.640 0.638 1.00 0.00 N ATOM 275 CA CYS A 459 -20.221 1.534 -0.293 1.00 0.00 C ATOM 276 C CYS A 459 -19.607 1.990 -1.626 1.00 0.00 C ATOM 277 O CYS A 459 -19.462 1.183 -2.545 1.00 0.00 O ATOM 278 CB CYS A 459 -21.529 0.765 -0.522 1.00 0.00 C ATOM 279 SG CYS A 459 -22.338 0.084 0.956 1.00 0.00 S ATOM 0 H CYS A 459 -21.424 2.865 0.790 1.00 0.00 H new ATOM 0 HA CYS A 459 -19.492 0.867 0.166 1.00 0.00 H new ATOM 0 HB2 CYS A 459 -22.234 1.431 -1.020 1.00 0.00 H new ATOM 0 HB3 CYS A 459 -21.326 -0.056 -1.209 1.00 0.00 H new ATOM 284 N GLU A 460 -19.319 3.280 -1.788 1.00 0.00 N ATOM 285 CA GLU A 460 -18.719 3.825 -2.994 1.00 0.00 C ATOM 286 C GLU A 460 -17.230 3.486 -3.006 1.00 0.00 C ATOM 287 O GLU A 460 -16.655 3.148 -1.969 1.00 0.00 O ATOM 288 CB GLU A 460 -18.935 5.336 -3.032 1.00 0.00 C ATOM 289 CG GLU A 460 -20.433 5.632 -3.154 1.00 0.00 C ATOM 290 CD GLU A 460 -20.731 7.068 -3.558 1.00 0.00 C ATOM 291 OE1 GLU A 460 -20.133 7.555 -4.539 1.00 0.00 O ATOM 292 OE2 GLU A 460 -21.639 7.674 -2.952 1.00 0.00 O ATOM 0 H GLU A 460 -19.501 3.983 -1.071 1.00 0.00 H new ATOM 0 HA GLU A 460 -19.185 3.390 -3.878 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -18.535 5.795 -2.128 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -18.397 5.770 -3.875 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -20.871 4.957 -3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -20.917 5.422 -2.200 1.00 0.00 H new ATOM 299 N LYS A 461 -16.571 3.560 -4.163 1.00 0.00 N ATOM 300 CA LYS A 461 -15.146 3.257 -4.236 1.00 0.00 C ATOM 301 C LYS A 461 -14.346 4.519 -3.971 1.00 0.00 C ATOM 302 O LYS A 461 -14.679 5.604 -4.447 1.00 0.00 O ATOM 303 CB LYS A 461 -14.752 2.624 -5.576 1.00 0.00 C ATOM 304 CG LYS A 461 -15.303 1.198 -5.644 1.00 0.00 C ATOM 305 CD LYS A 461 -14.716 0.362 -6.776 1.00 0.00 C ATOM 306 CE LYS A 461 -15.768 -0.671 -7.212 1.00 0.00 C ATOM 307 NZ LYS A 461 -15.399 -1.427 -8.426 1.00 0.00 N ATOM 0 H LYS A 461 -16.997 3.824 -5.051 1.00 0.00 H new ATOM 0 HA LYS A 461 -14.918 2.517 -3.469 1.00 0.00 H new ATOM 0 HB2 LYS A 461 -15.145 3.218 -6.401 1.00 0.00 H new ATOM 0 HB3 LYS A 461 -13.667 2.612 -5.681 1.00 0.00 H new ATOM 0 HG2 LYS A 461 -15.106 0.697 -4.696 1.00 0.00 H new ATOM 0 HG3 LYS A 461 -16.386 1.243 -5.762 1.00 0.00 H new ATOM 0 HD2 LYS A 461 -14.441 1.000 -7.615 1.00 0.00 H new ATOM 0 HD3 LYS A 461 -13.807 -0.139 -6.445 1.00 0.00 H new ATOM 0 HE2 LYS A 461 -15.933 -1.373 -6.395 1.00 0.00 H new ATOM 0 HE3 LYS A 461 -16.714 -0.159 -7.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 -16.155 -2.102 -8.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 -15.269 -0.767 -9.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 -14.513 -1.944 -8.257 1.00 0.00 H new ATOM 321 N GLY A 462 -13.277 4.333 -3.219 1.00 0.00 N ATOM 322 CA GLY A 462 -12.293 5.287 -2.769 1.00 0.00 C ATOM 323 C GLY A 462 -10.932 4.614 -2.899 1.00 0.00 C ATOM 324 O GLY A 462 -10.783 3.626 -3.635 1.00 0.00 O ATOM 0 H GLY A 462 -13.057 3.400 -2.872 1.00 0.00 H new ATOM 0 HA2 GLY A 462 -12.333 6.196 -3.370 1.00 0.00 H new ATOM 0 HA3 GLY A 462 -12.482 5.579 -1.736 1.00 0.00 H new ATOM 328 N LYS A 463 -9.937 5.133 -2.187 1.00 0.00 N ATOM 329 CA LYS A 463 -8.574 4.616 -2.154 1.00 0.00 C ATOM 330 C LYS A 463 -8.073 4.617 -0.718 1.00 0.00 C ATOM 331 O LYS A 463 -8.453 5.480 0.068 1.00 0.00 O ATOM 332 CB LYS A 463 -7.638 5.496 -3.008 1.00 0.00 C ATOM 333 CG LYS A 463 -7.860 5.338 -4.520 1.00 0.00 C ATOM 334 CD LYS A 463 -7.013 4.209 -5.118 1.00 0.00 C ATOM 335 CE LYS A 463 -7.083 4.235 -6.650 1.00 0.00 C ATOM 336 NZ LYS A 463 -5.820 4.696 -7.262 1.00 0.00 N ATOM 0 H LYS A 463 -10.062 5.955 -1.596 1.00 0.00 H new ATOM 0 HA LYS A 463 -8.576 3.603 -2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 463 -7.785 6.541 -2.734 1.00 0.00 H new ATOM 0 HB3 LYS A 463 -6.603 5.247 -2.773 1.00 0.00 H new ATOM 0 HG2 LYS A 463 -8.914 5.138 -4.711 1.00 0.00 H new ATOM 0 HG3 LYS A 463 -7.617 6.275 -5.020 1.00 0.00 H new ATOM 0 HD2 LYS A 463 -5.977 4.313 -4.794 1.00 0.00 H new ATOM 0 HD3 LYS A 463 -7.367 3.247 -4.749 1.00 0.00 H new ATOM 0 HE2 LYS A 463 -7.319 3.236 -7.018 1.00 0.00 H new ATOM 0 HE3 LYS A 463 -7.896 4.890 -6.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 -5.916 4.697 -8.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 -5.606 5.659 -6.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 -5.047 4.057 -6.986 1.00 0.00 H new ATOM 350 N ARG A 464 -7.267 3.619 -0.356 1.00 0.00 N ATOM 351 CA ARG A 464 -6.650 3.526 0.975 1.00 0.00 C ATOM 352 C ARG A 464 -5.186 3.897 0.781 1.00 0.00 C ATOM 353 O ARG A 464 -4.711 3.976 -0.360 1.00 0.00 O ATOM 354 CB ARG A 464 -6.800 2.164 1.699 1.00 0.00 C ATOM 355 CG ARG A 464 -7.203 0.922 0.888 1.00 0.00 C ATOM 356 CD ARG A 464 -7.765 -0.150 1.841 1.00 0.00 C ATOM 357 NE ARG A 464 -7.798 -1.491 1.236 1.00 0.00 N ATOM 358 CZ ARG A 464 -8.605 -2.502 1.592 1.00 0.00 C ATOM 359 NH1 ARG A 464 -9.578 -2.349 2.483 1.00 0.00 N ATOM 360 NH2 ARG A 464 -8.410 -3.686 1.036 1.00 0.00 N ATOM 0 H ARG A 464 -7.020 2.848 -0.977 1.00 0.00 H new ATOM 0 HA ARG A 464 -7.178 4.204 1.646 1.00 0.00 H new ATOM 0 HB2 ARG A 464 -5.849 1.944 2.184 1.00 0.00 H new ATOM 0 HB3 ARG A 464 -7.539 2.293 2.490 1.00 0.00 H new ATOM 0 HG2 ARG A 464 -7.951 1.189 0.141 1.00 0.00 H new ATOM 0 HG3 ARG A 464 -6.340 0.530 0.350 1.00 0.00 H new ATOM 0 HD2 ARG A 464 -7.158 -0.180 2.746 1.00 0.00 H new ATOM 0 HD3 ARG A 464 -8.774 0.132 2.143 1.00 0.00 H new ATOM 0 HE ARG A 464 -7.145 -1.669 0.473 1.00 0.00 H new ATOM 0 HH11 ARG A 464 -9.731 -1.440 2.921 1.00 0.00 H new ATOM 0 HH12 ARG A 464 -10.173 -3.140 2.730 1.00 0.00 H new ATOM 0 HH21 ARG A 464 -7.661 -3.813 0.355 1.00 0.00 H new ATOM 0 HH22 ARG A 464 -9.009 -4.473 1.288 1.00 0.00 H new ATOM 374 N MET A 465 -4.461 4.151 1.865 1.00 0.00 N ATOM 375 CA MET A 465 -3.048 4.491 1.828 1.00 0.00 C ATOM 376 C MET A 465 -2.387 3.626 2.896 1.00 0.00 C ATOM 377 O MET A 465 -3.059 3.219 3.846 1.00 0.00 O ATOM 378 CB MET A 465 -2.888 5.991 2.103 1.00 0.00 C ATOM 379 CG MET A 465 -1.506 6.516 1.724 1.00 0.00 C ATOM 380 SD MET A 465 -1.324 8.304 1.946 1.00 0.00 S ATOM 381 CE MET A 465 -1.335 8.459 3.757 1.00 0.00 C ATOM 0 H MET A 465 -4.848 4.125 2.809 1.00 0.00 H new ATOM 0 HA MET A 465 -2.584 4.302 0.860 1.00 0.00 H new ATOM 0 HB2 MET A 465 -3.646 6.541 1.546 1.00 0.00 H new ATOM 0 HB3 MET A 465 -3.068 6.183 3.161 1.00 0.00 H new ATOM 0 HG2 MET A 465 -0.755 6.005 2.326 1.00 0.00 H new ATOM 0 HG3 MET A 465 -1.304 6.265 0.683 1.00 0.00 H new ATOM 0 HE1 MET A 465 -1.124 9.492 4.035 1.00 0.00 H new ATOM 0 HE2 MET A 465 -2.314 8.173 4.141 1.00 0.00 H new ATOM 0 HE3 MET A 465 -0.573 7.806 4.183 1.00 0.00 H new ATOM 391 N ARG A 466 -1.130 3.240 2.718 1.00 0.00 N ATOM 392 CA ARG A 466 -0.403 2.434 3.697 1.00 0.00 C ATOM 393 C ARG A 466 1.065 2.760 3.566 1.00 0.00 C ATOM 394 O ARG A 466 1.479 3.326 2.545 1.00 0.00 O ATOM 395 CB ARG A 466 -0.642 0.924 3.522 1.00 0.00 C ATOM 396 CG ARG A 466 -0.093 0.372 2.205 1.00 0.00 C ATOM 397 CD ARG A 466 -0.330 -1.135 2.156 1.00 0.00 C ATOM 398 NE ARG A 466 0.188 -1.703 0.908 1.00 0.00 N ATOM 399 CZ ARG A 466 -0.115 -2.902 0.415 1.00 0.00 C ATOM 400 NH1 ARG A 466 -0.810 -3.771 1.146 1.00 0.00 N ATOM 401 NH2 ARG A 466 0.275 -3.205 -0.814 1.00 0.00 N ATOM 0 H ARG A 466 -0.583 3.476 1.890 1.00 0.00 H new ATOM 0 HA ARG A 466 -0.769 2.679 4.694 1.00 0.00 H new ATOM 0 HB2 ARG A 466 -0.178 0.391 4.352 1.00 0.00 H new ATOM 0 HB3 ARG A 466 -1.712 0.724 3.573 1.00 0.00 H new ATOM 0 HG2 ARG A 466 -0.583 0.857 1.361 1.00 0.00 H new ATOM 0 HG3 ARG A 466 0.972 0.588 2.122 1.00 0.00 H new ATOM 0 HD2 ARG A 466 0.156 -1.612 3.007 1.00 0.00 H new ATOM 0 HD3 ARG A 466 -1.397 -1.343 2.240 1.00 0.00 H new ATOM 0 HE ARG A 466 0.838 -1.129 0.370 1.00 0.00 H new ATOM 0 HH11 ARG A 466 -1.112 -3.519 2.087 1.00 0.00 H new ATOM 0 HH12 ARG A 466 -1.040 -4.689 0.765 1.00 0.00 H new ATOM 0 HH21 ARG A 466 0.798 -2.525 -1.365 1.00 0.00 H new ATOM 0 HH22 ARG A 466 0.052 -4.119 -1.209 1.00 0.00 H new ATOM 415 N GLN A 467 1.860 2.350 4.543 1.00 0.00 N ATOM 416 CA GLN A 467 3.288 2.588 4.536 1.00 0.00 C ATOM 417 C GLN A 467 4.038 1.400 5.121 1.00 0.00 C ATOM 418 O GLN A 467 3.454 0.488 5.716 1.00 0.00 O ATOM 419 CB GLN A 467 3.625 3.915 5.239 1.00 0.00 C ATOM 420 CG GLN A 467 2.964 4.091 6.613 1.00 0.00 C ATOM 421 CD GLN A 467 3.224 5.485 7.159 1.00 0.00 C ATOM 422 OE1 GLN A 467 2.495 6.426 6.870 1.00 0.00 O ATOM 423 NE2 GLN A 467 4.253 5.652 7.964 1.00 0.00 N ATOM 0 H GLN A 467 1.528 1.842 5.363 1.00 0.00 H new ATOM 0 HA GLN A 467 3.623 2.689 3.504 1.00 0.00 H new ATOM 0 HB2 GLN A 467 4.706 3.985 5.358 1.00 0.00 H new ATOM 0 HB3 GLN A 467 3.322 4.740 4.595 1.00 0.00 H new ATOM 0 HG2 GLN A 467 1.890 3.922 6.530 1.00 0.00 H new ATOM 0 HG3 GLN A 467 3.352 3.345 7.307 1.00 0.00 H new ATOM 0 HE21 GLN A 467 4.852 4.860 8.197 1.00 0.00 H new ATOM 0 HE22 GLN A 467 4.451 6.573 8.355 1.00 0.00 H new ATOM 432 N ARG A 468 5.348 1.401 4.905 1.00 0.00 N ATOM 433 CA ARG A 468 6.270 0.387 5.393 1.00 0.00 C ATOM 434 C ARG A 468 7.658 0.999 5.588 1.00 0.00 C ATOM 435 O ARG A 468 7.913 2.147 5.206 1.00 0.00 O ATOM 436 CB ARG A 468 6.268 -0.865 4.496 1.00 0.00 C ATOM 437 CG ARG A 468 6.707 -0.573 3.062 1.00 0.00 C ATOM 438 CD ARG A 468 6.606 -1.820 2.185 1.00 0.00 C ATOM 439 NE ARG A 468 7.013 -1.528 0.799 1.00 0.00 N ATOM 440 CZ ARG A 468 7.017 -2.387 -0.227 1.00 0.00 C ATOM 441 NH1 ARG A 468 6.697 -3.669 -0.064 1.00 0.00 N ATOM 442 NH2 ARG A 468 7.354 -1.944 -1.432 1.00 0.00 N ATOM 0 H ARG A 468 5.811 2.133 4.367 1.00 0.00 H new ATOM 0 HA ARG A 468 5.934 0.036 6.369 1.00 0.00 H new ATOM 0 HB2 ARG A 468 6.931 -1.615 4.927 1.00 0.00 H new ATOM 0 HB3 ARG A 468 5.266 -1.294 4.483 1.00 0.00 H new ATOM 0 HG2 ARG A 468 6.086 0.219 2.644 1.00 0.00 H new ATOM 0 HG3 ARG A 468 7.734 -0.208 3.061 1.00 0.00 H new ATOM 0 HD2 ARG A 468 7.238 -2.608 2.594 1.00 0.00 H new ATOM 0 HD3 ARG A 468 5.582 -2.194 2.196 1.00 0.00 H new ATOM 0 HE ARG A 468 7.322 -0.576 0.602 1.00 0.00 H new ATOM 0 HH11 ARG A 468 6.441 -4.017 0.860 1.00 0.00 H new ATOM 0 HH12 ARG A 468 6.708 -4.303 -0.863 1.00 0.00 H new ATOM 0 HH21 ARG A 468 7.604 -0.964 -1.564 1.00 0.00 H new ATOM 0 HH22 ARG A 468 7.363 -2.584 -2.226 1.00 0.00 H new ATOM 456 N MET A 469 8.579 0.215 6.136 1.00 0.00 N ATOM 457 CA MET A 469 9.955 0.585 6.417 1.00 0.00 C ATOM 458 C MET A 469 10.885 -0.281 5.571 1.00 0.00 C ATOM 459 O MET A 469 10.584 -1.440 5.278 1.00 0.00 O ATOM 460 CB MET A 469 10.206 0.442 7.927 1.00 0.00 C ATOM 461 CG MET A 469 11.676 0.642 8.319 1.00 0.00 C ATOM 462 SD MET A 469 11.948 1.064 10.058 1.00 0.00 S ATOM 463 CE MET A 469 11.584 2.839 9.991 1.00 0.00 C ATOM 0 H MET A 469 8.372 -0.746 6.409 1.00 0.00 H new ATOM 0 HA MET A 469 10.154 1.623 6.151 1.00 0.00 H new ATOM 0 HB2 MET A 469 9.593 1.168 8.461 1.00 0.00 H new ATOM 0 HB3 MET A 469 9.882 -0.547 8.250 1.00 0.00 H new ATOM 0 HG2 MET A 469 12.225 -0.271 8.091 1.00 0.00 H new ATOM 0 HG3 MET A 469 12.099 1.432 7.698 1.00 0.00 H new ATOM 0 HE1 MET A 469 11.701 3.272 10.984 1.00 0.00 H new ATOM 0 HE2 MET A 469 12.272 3.326 9.299 1.00 0.00 H new ATOM 0 HE3 MET A 469 10.560 2.988 9.649 1.00 0.00 H new ATOM 473 N LEU A 470 12.013 0.288 5.152 1.00 0.00 N ATOM 474 CA LEU A 470 13.022 -0.388 4.344 1.00 0.00 C ATOM 475 C LEU A 470 13.856 -1.297 5.252 1.00 0.00 C ATOM 476 O LEU A 470 14.597 -0.795 6.102 1.00 0.00 O ATOM 477 CB LEU A 470 13.870 0.682 3.629 1.00 0.00 C ATOM 478 CG LEU A 470 14.938 0.160 2.649 1.00 0.00 C ATOM 479 CD1 LEU A 470 16.168 -0.437 3.331 1.00 0.00 C ATOM 480 CD2 LEU A 470 14.360 -0.845 1.646 1.00 0.00 C ATOM 0 H LEU A 470 12.255 1.254 5.371 1.00 0.00 H new ATOM 0 HA LEU A 470 12.571 -1.020 3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 470 13.198 1.343 3.083 1.00 0.00 H new ATOM 0 HB3 LEU A 470 14.367 1.288 4.387 1.00 0.00 H new ATOM 0 HG LEU A 470 15.271 1.048 2.112 1.00 0.00 H new ATOM 0 HD11 LEU A 470 16.872 -0.782 2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 470 16.644 0.322 3.951 1.00 0.00 H new ATOM 0 HD13 LEU A 470 15.866 -1.278 3.955 1.00 0.00 H new ATOM 0 HD21 LEU A 470 15.149 -1.185 0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 470 13.947 -1.699 2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 470 13.572 -0.367 1.065 1.00 0.00 H new ATOM 492 N LYS A 471 13.719 -2.623 5.133 1.00 0.00 N ATOM 493 CA LYS A 471 14.469 -3.596 5.934 1.00 0.00 C ATOM 494 C LYS A 471 15.892 -3.744 5.413 1.00 0.00 C ATOM 495 O LYS A 471 16.819 -3.669 6.222 1.00 0.00 O ATOM 496 CB LYS A 471 13.794 -4.975 5.934 1.00 0.00 C ATOM 497 CG LYS A 471 12.564 -5.020 6.837 1.00 0.00 C ATOM 498 CD LYS A 471 12.010 -6.450 6.915 1.00 0.00 C ATOM 499 CE LYS A 471 12.801 -7.304 7.902 1.00 0.00 C ATOM 500 NZ LYS A 471 12.169 -7.312 9.236 1.00 0.00 N ATOM 0 H LYS A 471 13.076 -3.055 4.469 1.00 0.00 H new ATOM 0 HA LYS A 471 14.488 -3.215 6.955 1.00 0.00 H new ATOM 0 HB2 LYS A 471 13.504 -5.235 4.916 1.00 0.00 H new ATOM 0 HB3 LYS A 471 14.511 -5.728 6.263 1.00 0.00 H new ATOM 0 HG2 LYS A 471 12.825 -4.669 7.835 1.00 0.00 H new ATOM 0 HG3 LYS A 471 11.798 -4.347 6.453 1.00 0.00 H new ATOM 0 HD2 LYS A 471 10.963 -6.420 7.216 1.00 0.00 H new ATOM 0 HD3 LYS A 471 12.044 -6.909 5.927 1.00 0.00 H new ATOM 0 HE2 LYS A 471 12.873 -8.325 7.526 1.00 0.00 H new ATOM 0 HE3 LYS A 471 13.818 -6.921 7.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 12.731 -7.901 9.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 12.123 -6.340 9.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 11.207 -7.700 9.162 1.00 0.00 H new ATOM 514 N ALA A 472 16.083 -3.968 4.113 1.00 0.00 N ATOM 515 CA ALA A 472 17.392 -4.119 3.491 1.00 0.00 C ATOM 516 C ALA A 472 17.368 -3.540 2.080 1.00 0.00 C ATOM 517 O ALA A 472 16.300 -3.387 1.493 1.00 0.00 O ATOM 518 CB ALA A 472 17.770 -5.605 3.455 1.00 0.00 C ATOM 0 H ALA A 472 15.312 -4.051 3.450 1.00 0.00 H new ATOM 0 HA ALA A 472 18.137 -3.577 4.073 1.00 0.00 H new ATOM 0 HB1 ALA A 472 18.749 -5.720 2.990 1.00 0.00 H new ATOM 0 HB2 ALA A 472 17.803 -5.997 4.472 1.00 0.00 H new ATOM 0 HB3 ALA A 472 17.027 -6.156 2.878 1.00 0.00 H new ATOM 524 N GLN A 473 18.540 -3.233 1.536 1.00 0.00 N ATOM 525 CA GLN A 473 18.722 -2.686 0.197 1.00 0.00 C ATOM 526 C GLN A 473 20.054 -3.234 -0.314 1.00 0.00 C ATOM 527 O GLN A 473 21.014 -3.347 0.452 1.00 0.00 O ATOM 528 CB GLN A 473 18.659 -1.141 0.215 1.00 0.00 C ATOM 529 CG GLN A 473 19.796 -0.502 1.021 1.00 0.00 C ATOM 530 CD GLN A 473 19.549 0.975 1.314 1.00 0.00 C ATOM 531 OE1 GLN A 473 19.459 1.404 2.464 1.00 0.00 O ATOM 532 NE2 GLN A 473 19.507 1.815 0.307 1.00 0.00 N ATOM 0 H GLN A 473 19.421 -3.363 2.033 1.00 0.00 H new ATOM 0 HA GLN A 473 17.921 -2.987 -0.479 1.00 0.00 H new ATOM 0 HB2 GLN A 473 18.695 -0.770 -0.809 1.00 0.00 H new ATOM 0 HB3 GLN A 473 17.703 -0.827 0.635 1.00 0.00 H new ATOM 0 HG2 GLN A 473 19.917 -1.040 1.961 1.00 0.00 H new ATOM 0 HG3 GLN A 473 20.731 -0.608 0.471 1.00 0.00 H new ATOM 0 HE21 GLN A 473 19.581 1.469 -0.650 1.00 0.00 H new ATOM 0 HE22 GLN A 473 19.401 2.814 0.481 1.00 0.00 H new ATOM 541 N LEU A 474 20.115 -3.613 -1.586 1.00 0.00 N ATOM 542 CA LEU A 474 21.309 -4.153 -2.226 1.00 0.00 C ATOM 543 C LEU A 474 22.299 -3.051 -2.571 1.00 0.00 C ATOM 544 O LEU A 474 23.463 -3.341 -2.837 1.00 0.00 O ATOM 545 CB LEU A 474 20.896 -4.926 -3.479 1.00 0.00 C ATOM 546 CG LEU A 474 20.469 -6.354 -3.116 1.00 0.00 C ATOM 547 CD1 LEU A 474 19.303 -6.497 -2.133 1.00 0.00 C ATOM 548 CD2 LEU A 474 20.158 -7.151 -4.381 1.00 0.00 C ATOM 0 H LEU A 474 19.315 -3.552 -2.216 1.00 0.00 H new ATOM 0 HA LEU A 474 21.810 -4.827 -1.531 1.00 0.00 H new ATOM 0 HB2 LEU A 474 20.075 -4.410 -3.977 1.00 0.00 H new ATOM 0 HB3 LEU A 474 21.727 -4.957 -4.184 1.00 0.00 H new ATOM 0 HG LEU A 474 21.333 -6.751 -2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 474 19.100 -7.554 -1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 474 19.562 -6.018 -1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 474 18.415 -6.021 -2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 474 19.856 -8.162 -4.109 1.00 0.00 H new ATOM 0 HD22 LEU A 474 19.349 -6.666 -4.927 1.00 0.00 H new ATOM 0 HD23 LEU A 474 21.046 -7.195 -5.011 1.00 0.00 H new ATOM 560 N ASP A 475 21.843 -1.806 -2.604 1.00 0.00 N ATOM 561 CA ASP A 475 22.671 -0.648 -2.879 1.00 0.00 C ATOM 562 C ASP A 475 22.371 0.300 -1.735 1.00 0.00 C ATOM 563 O ASP A 475 21.259 0.808 -1.630 1.00 0.00 O ATOM 564 CB ASP A 475 22.428 -0.035 -4.258 1.00 0.00 C ATOM 565 CG ASP A 475 23.488 1.050 -4.462 1.00 0.00 C ATOM 566 OD1 ASP A 475 23.440 2.092 -3.788 1.00 0.00 O ATOM 567 OD2 ASP A 475 24.466 0.806 -5.213 1.00 0.00 O ATOM 0 H ASP A 475 20.865 -1.572 -2.436 1.00 0.00 H new ATOM 0 HA ASP A 475 23.729 -0.908 -2.927 1.00 0.00 H new ATOM 0 HB2 ASP A 475 22.501 -0.795 -5.036 1.00 0.00 H new ATOM 0 HB3 ASP A 475 21.426 0.389 -4.320 1.00 0.00 H new ATOM 572 N LEU A 476 23.310 0.438 -0.803 1.00 0.00 N ATOM 573 CA LEU A 476 23.179 1.291 0.367 1.00 0.00 C ATOM 574 C LEU A 476 23.315 2.772 0.037 1.00 0.00 C ATOM 575 O LEU A 476 23.025 3.591 0.915 1.00 0.00 O ATOM 576 CB LEU A 476 24.225 0.899 1.430 1.00 0.00 C ATOM 577 CG LEU A 476 23.908 -0.307 2.337 1.00 0.00 C ATOM 578 CD1 LEU A 476 22.739 -0.007 3.284 1.00 0.00 C ATOM 579 CD2 LEU A 476 23.655 -1.608 1.566 1.00 0.00 C ATOM 0 H LEU A 476 24.203 -0.053 -0.844 1.00 0.00 H new ATOM 0 HA LEU A 476 22.173 1.137 0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 476 25.165 0.695 0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 476 24.393 1.765 2.070 1.00 0.00 H new ATOM 0 HG LEU A 476 24.809 -0.468 2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 476 22.543 -0.879 3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 476 22.993 0.843 3.917 1.00 0.00 H new ATOM 0 HD13 LEU A 476 21.849 0.228 2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 476 23.439 -2.412 2.270 1.00 0.00 H new ATOM 0 HD22 LEU A 476 22.806 -1.474 0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 476 24.540 -1.864 0.984 1.00 0.00 H new ATOM 591 N SER A 477 23.769 3.137 -1.157 1.00 0.00 N ATOM 592 CA SER A 477 23.933 4.522 -1.565 1.00 0.00 C ATOM 593 C SER A 477 22.622 5.082 -2.109 1.00 0.00 C ATOM 594 O SER A 477 22.290 6.249 -1.894 1.00 0.00 O ATOM 595 CB SER A 477 25.059 4.626 -2.605 1.00 0.00 C ATOM 596 OG SER A 477 26.050 3.608 -2.461 1.00 0.00 O ATOM 0 H SER A 477 24.037 2.466 -1.878 1.00 0.00 H new ATOM 0 HA SER A 477 24.209 5.120 -0.697 1.00 0.00 H new ATOM 0 HB2 SER A 477 24.629 4.567 -3.605 1.00 0.00 H new ATOM 0 HB3 SER A 477 25.535 5.603 -2.520 1.00 0.00 H new ATOM 0 HG SER A 477 26.739 3.722 -3.149 1.00 0.00 H new ATOM 602 N VAL A 478 21.834 4.230 -2.748 1.00 0.00 N ATOM 603 CA VAL A 478 20.561 4.538 -3.365 1.00 0.00 C ATOM 604 C VAL A 478 19.445 4.066 -2.429 1.00 0.00 C ATOM 605 O VAL A 478 19.286 2.860 -2.253 1.00 0.00 O ATOM 606 CB VAL A 478 20.555 3.820 -4.723 1.00 0.00 C ATOM 607 CG1 VAL A 478 19.179 3.837 -5.404 1.00 0.00 C ATOM 608 CG2 VAL A 478 21.577 4.450 -5.685 1.00 0.00 C ATOM 0 H VAL A 478 22.085 3.247 -2.854 1.00 0.00 H new ATOM 0 HA VAL A 478 20.403 5.604 -3.530 1.00 0.00 H new ATOM 0 HB VAL A 478 20.821 2.785 -4.508 1.00 0.00 H new ATOM 0 HG11 VAL A 478 19.239 3.315 -6.359 1.00 0.00 H new ATOM 0 HG12 VAL A 478 18.450 3.340 -4.764 1.00 0.00 H new ATOM 0 HG13 VAL A 478 18.870 4.868 -5.574 1.00 0.00 H new ATOM 0 HG21 VAL A 478 21.552 3.923 -6.639 1.00 0.00 H new ATOM 0 HG22 VAL A 478 21.328 5.499 -5.844 1.00 0.00 H new ATOM 0 HG23 VAL A 478 22.576 4.375 -5.255 1.00 0.00 H new ATOM 618 N PRO A 479 18.706 4.965 -1.759 1.00 0.00 N ATOM 619 CA PRO A 479 17.630 4.570 -0.866 1.00 0.00 C ATOM 620 C PRO A 479 16.458 3.985 -1.641 1.00 0.00 C ATOM 621 O PRO A 479 16.379 4.064 -2.868 1.00 0.00 O ATOM 622 CB PRO A 479 17.215 5.840 -0.126 1.00 0.00 C ATOM 623 CG PRO A 479 17.543 6.941 -1.130 1.00 0.00 C ATOM 624 CD PRO A 479 18.773 6.409 -1.861 1.00 0.00 C ATOM 0 HA PRO A 479 17.956 3.793 -0.175 1.00 0.00 H new ATOM 0 HB2 PRO A 479 16.156 5.830 0.131 1.00 0.00 H new ATOM 0 HB3 PRO A 479 17.768 5.964 0.805 1.00 0.00 H new ATOM 0 HG2 PRO A 479 16.714 7.117 -1.816 1.00 0.00 H new ATOM 0 HG3 PRO A 479 17.751 7.888 -0.632 1.00 0.00 H new ATOM 0 HD2 PRO A 479 18.775 6.727 -2.904 1.00 0.00 H new ATOM 0 HD3 PRO A 479 19.690 6.790 -1.410 1.00 0.00 H new ATOM 632 N CYS A 480 15.506 3.464 -0.875 1.00 0.00 N ATOM 633 CA CYS A 480 14.312 2.824 -1.361 1.00 0.00 C ATOM 634 C CYS A 480 13.060 3.560 -0.861 1.00 0.00 C ATOM 635 O CYS A 480 12.531 3.235 0.203 1.00 0.00 O ATOM 636 CB CYS A 480 14.399 1.385 -0.875 1.00 0.00 C ATOM 637 SG CYS A 480 15.800 0.426 -1.510 1.00 0.00 S ATOM 0 H CYS A 480 15.558 3.482 0.144 1.00 0.00 H new ATOM 0 HA CYS A 480 14.233 2.848 -2.448 1.00 0.00 H new ATOM 0 HB2 CYS A 480 14.450 1.391 0.214 1.00 0.00 H new ATOM 0 HB3 CYS A 480 13.477 0.872 -1.148 1.00 0.00 H new ATOM 642 N PRO A 481 12.558 4.538 -1.628 1.00 0.00 N ATOM 643 CA PRO A 481 11.382 5.349 -1.312 1.00 0.00 C ATOM 644 C PRO A 481 10.016 4.699 -1.616 1.00 0.00 C ATOM 645 O PRO A 481 8.997 5.377 -1.462 1.00 0.00 O ATOM 646 CB PRO A 481 11.565 6.602 -2.173 1.00 0.00 C ATOM 647 CG PRO A 481 12.216 6.034 -3.422 1.00 0.00 C ATOM 648 CD PRO A 481 13.152 4.980 -2.880 1.00 0.00 C ATOM 0 HA PRO A 481 11.340 5.522 -0.237 1.00 0.00 H new ATOM 0 HB2 PRO A 481 10.615 7.088 -2.393 1.00 0.00 H new ATOM 0 HB3 PRO A 481 12.197 7.344 -1.685 1.00 0.00 H new ATOM 0 HG2 PRO A 481 11.478 5.606 -4.100 1.00 0.00 H new ATOM 0 HG3 PRO A 481 12.754 6.801 -3.979 1.00 0.00 H new ATOM 0 HD2 PRO A 481 13.256 4.150 -3.579 1.00 0.00 H new ATOM 0 HD3 PRO A 481 14.150 5.387 -2.718 1.00 0.00 H new ATOM 656 N ASP A 482 9.928 3.443 -2.080 1.00 0.00 N ATOM 657 CA ASP A 482 8.645 2.774 -2.382 1.00 0.00 C ATOM 658 C ASP A 482 8.067 2.172 -1.092 1.00 0.00 C ATOM 659 O ASP A 482 7.659 1.004 -1.014 1.00 0.00 O ATOM 660 CB ASP A 482 8.797 1.725 -3.494 1.00 0.00 C ATOM 661 CG ASP A 482 9.057 2.344 -4.870 1.00 0.00 C ATOM 662 OD1 ASP A 482 8.293 3.243 -5.297 1.00 0.00 O ATOM 663 OD2 ASP A 482 10.039 1.939 -5.532 1.00 0.00 O ATOM 0 H ASP A 482 10.744 2.858 -2.258 1.00 0.00 H new ATOM 0 HA ASP A 482 7.942 3.515 -2.763 1.00 0.00 H new ATOM 0 HB2 ASP A 482 9.618 1.054 -3.243 1.00 0.00 H new ATOM 0 HB3 ASP A 482 7.892 1.119 -3.540 1.00 0.00 H new ATOM 668 N THR A 483 8.047 2.996 -0.052 1.00 0.00 N ATOM 669 CA THR A 483 7.585 2.739 1.291 1.00 0.00 C ATOM 670 C THR A 483 6.127 3.130 1.480 1.00 0.00 C ATOM 671 O THR A 483 5.646 2.977 2.595 1.00 0.00 O ATOM 672 CB THR A 483 8.521 3.498 2.255 1.00 0.00 C ATOM 673 OG1 THR A 483 8.926 4.736 1.696 1.00 0.00 O ATOM 674 CG2 THR A 483 9.775 2.667 2.526 1.00 0.00 C ATOM 0 H THR A 483 8.389 3.952 -0.146 1.00 0.00 H new ATOM 0 HA THR A 483 7.622 1.670 1.500 1.00 0.00 H new ATOM 0 HB THR A 483 7.972 3.676 3.180 1.00 0.00 H new ATOM 0 HG1 THR A 483 9.517 5.201 2.324 1.00 0.00 H new ATOM 0 HG21 THR A 483 10.431 3.209 3.207 1.00 0.00 H new ATOM 0 HG22 THR A 483 9.491 1.716 2.976 1.00 0.00 H new ATOM 0 HG23 THR A 483 10.299 2.482 1.588 1.00 0.00 H new ATOM 682 N GLN A 484 5.425 3.610 0.448 1.00 0.00 N ATOM 683 CA GLN A 484 4.021 4.008 0.517 1.00 0.00 C ATOM 684 C GLN A 484 3.286 3.437 -0.688 1.00 0.00 C ATOM 685 O GLN A 484 3.798 3.532 -1.804 1.00 0.00 O ATOM 686 CB GLN A 484 3.859 5.538 0.593 1.00 0.00 C ATOM 687 CG GLN A 484 4.663 6.122 1.762 1.00 0.00 C ATOM 688 CD GLN A 484 4.014 7.352 2.383 1.00 0.00 C ATOM 689 OE1 GLN A 484 3.117 7.247 3.218 1.00 0.00 O ATOM 690 NE2 GLN A 484 4.460 8.538 2.015 1.00 0.00 N ATOM 0 H GLN A 484 5.830 3.734 -0.480 1.00 0.00 H new ATOM 0 HA GLN A 484 3.588 3.607 1.433 1.00 0.00 H new ATOM 0 HB2 GLN A 484 4.192 5.989 -0.342 1.00 0.00 H new ATOM 0 HB3 GLN A 484 2.805 5.790 0.711 1.00 0.00 H new ATOM 0 HG2 GLN A 484 4.784 5.357 2.529 1.00 0.00 H new ATOM 0 HG3 GLN A 484 5.662 6.384 1.412 1.00 0.00 H new ATOM 0 HE21 GLN A 484 5.204 8.610 1.321 1.00 0.00 H new ATOM 0 HE22 GLN A 484 4.060 9.383 2.424 1.00 0.00 H new ATOM 699 N ASP A 485 2.114 2.840 -0.458 1.00 0.00 N ATOM 700 CA ASP A 485 1.281 2.235 -1.506 1.00 0.00 C ATOM 701 C ASP A 485 -0.175 2.679 -1.365 1.00 0.00 C ATOM 702 O ASP A 485 -0.588 3.141 -0.297 1.00 0.00 O ATOM 703 CB ASP A 485 1.398 0.709 -1.458 1.00 0.00 C ATOM 704 CG ASP A 485 0.968 -0.033 -2.723 1.00 0.00 C ATOM 705 OD1 ASP A 485 0.582 0.591 -3.735 1.00 0.00 O ATOM 706 OD2 ASP A 485 1.005 -1.289 -2.684 1.00 0.00 O ATOM 0 H ASP A 485 1.709 2.761 0.475 1.00 0.00 H new ATOM 0 HA ASP A 485 1.640 2.576 -2.477 1.00 0.00 H new ATOM 0 HB2 ASP A 485 2.435 0.450 -1.243 1.00 0.00 H new ATOM 0 HB3 ASP A 485 0.798 0.344 -0.624 1.00 0.00 H new ATOM 711 N PHE A 486 -0.944 2.552 -2.449 1.00 0.00 N ATOM 712 CA PHE A 486 -2.342 2.920 -2.584 1.00 0.00 C ATOM 713 C PHE A 486 -3.043 1.850 -3.423 1.00 0.00 C ATOM 714 O PHE A 486 -2.448 1.303 -4.356 1.00 0.00 O ATOM 715 CB PHE A 486 -2.478 4.273 -3.317 1.00 0.00 C ATOM 716 CG PHE A 486 -1.859 5.507 -2.671 1.00 0.00 C ATOM 717 CD1 PHE A 486 -0.466 5.621 -2.461 1.00 0.00 C ATOM 718 CD2 PHE A 486 -2.694 6.587 -2.331 1.00 0.00 C ATOM 719 CE1 PHE A 486 0.077 6.743 -1.810 1.00 0.00 C ATOM 720 CE2 PHE A 486 -2.148 7.738 -1.729 1.00 0.00 C ATOM 721 CZ PHE A 486 -0.769 7.807 -1.456 1.00 0.00 C ATOM 0 H PHE A 486 -0.572 2.160 -3.314 1.00 0.00 H new ATOM 0 HA PHE A 486 -2.786 3.002 -1.592 1.00 0.00 H new ATOM 0 HB2 PHE A 486 -2.039 4.160 -4.308 1.00 0.00 H new ATOM 0 HB3 PHE A 486 -3.541 4.469 -3.459 1.00 0.00 H new ATOM 0 HD1 PHE A 486 0.190 4.836 -2.805 1.00 0.00 H new ATOM 0 HD2 PHE A 486 -3.754 6.534 -2.531 1.00 0.00 H new ATOM 0 HE1 PHE A 486 1.132 6.786 -1.585 1.00 0.00 H new ATOM 0 HE2 PHE A 486 -2.789 8.569 -1.476 1.00 0.00 H new ATOM 0 HZ PHE A 486 -0.360 8.682 -0.972 1.00 0.00 H new ATOM 731 N GLN A 487 -4.296 1.547 -3.100 1.00 0.00 N ATOM 732 CA GLN A 487 -5.163 0.580 -3.781 1.00 0.00 C ATOM 733 C GLN A 487 -6.623 1.003 -3.558 1.00 0.00 C ATOM 734 O GLN A 487 -6.883 1.789 -2.637 1.00 0.00 O ATOM 735 CB GLN A 487 -4.927 -0.860 -3.274 1.00 0.00 C ATOM 736 CG GLN A 487 -4.037 -1.699 -4.211 1.00 0.00 C ATOM 737 CD GLN A 487 -2.724 -2.129 -3.570 1.00 0.00 C ATOM 738 OE1 GLN A 487 -2.658 -3.143 -2.882 1.00 0.00 O ATOM 739 NE2 GLN A 487 -1.661 -1.376 -3.778 1.00 0.00 N ATOM 0 H GLN A 487 -4.764 1.993 -2.311 1.00 0.00 H new ATOM 0 HA GLN A 487 -4.929 0.577 -4.846 1.00 0.00 H new ATOM 0 HB2 GLN A 487 -4.466 -0.819 -2.287 1.00 0.00 H new ATOM 0 HB3 GLN A 487 -5.889 -1.358 -3.156 1.00 0.00 H new ATOM 0 HG2 GLN A 487 -4.587 -2.586 -4.526 1.00 0.00 H new ATOM 0 HG3 GLN A 487 -3.822 -1.121 -5.110 1.00 0.00 H new ATOM 0 HE21 GLN A 487 -1.735 -0.537 -4.353 1.00 0.00 H new ATOM 0 HE22 GLN A 487 -0.765 -1.633 -3.364 1.00 0.00 H new ATOM 748 N PRO A 488 -7.578 0.523 -4.379 1.00 0.00 N ATOM 749 CA PRO A 488 -8.989 0.875 -4.245 1.00 0.00 C ATOM 750 C PRO A 488 -9.587 0.283 -2.971 1.00 0.00 C ATOM 751 O PRO A 488 -9.018 -0.642 -2.385 1.00 0.00 O ATOM 752 CB PRO A 488 -9.675 0.293 -5.486 1.00 0.00 C ATOM 753 CG PRO A 488 -8.818 -0.927 -5.796 1.00 0.00 C ATOM 754 CD PRO A 488 -7.412 -0.408 -5.492 1.00 0.00 C ATOM 0 HA PRO A 488 -9.125 1.954 -4.173 1.00 0.00 H new ATOM 0 HB2 PRO A 488 -10.711 0.021 -5.286 1.00 0.00 H new ATOM 0 HB3 PRO A 488 -9.686 1.002 -6.314 1.00 0.00 H new ATOM 0 HG2 PRO A 488 -9.082 -1.781 -5.172 1.00 0.00 H new ATOM 0 HG3 PRO A 488 -8.921 -1.246 -6.833 1.00 0.00 H new ATOM 0 HD2 PRO A 488 -6.740 -1.224 -5.225 1.00 0.00 H new ATOM 0 HD3 PRO A 488 -6.980 0.090 -6.360 1.00 0.00 H new ATOM 762 N CYS A 489 -10.742 0.801 -2.547 1.00 0.00 N ATOM 763 CA CYS A 489 -11.437 0.312 -1.352 1.00 0.00 C ATOM 764 C CYS A 489 -12.835 0.910 -1.238 1.00 0.00 C ATOM 765 O CYS A 489 -13.074 2.001 -1.753 1.00 0.00 O ATOM 766 CB CYS A 489 -10.606 0.665 -0.107 1.00 0.00 C ATOM 767 SG CYS A 489 -11.384 0.430 1.509 1.00 0.00 S ATOM 0 H CYS A 489 -11.221 1.568 -3.019 1.00 0.00 H new ATOM 0 HA CYS A 489 -11.547 -0.770 -1.431 1.00 0.00 H new ATOM 0 HB2 CYS A 489 -9.694 0.069 -0.131 1.00 0.00 H new ATOM 0 HB3 CYS A 489 -10.306 1.710 -0.188 1.00 0.00 H new ATOM 772 N MET A 490 -13.740 0.207 -0.556 1.00 0.00 N ATOM 773 CA MET A 490 -15.127 0.571 -0.279 1.00 0.00 C ATOM 774 C MET A 490 -15.343 0.398 1.231 1.00 0.00 C ATOM 775 O MET A 490 -14.539 -0.251 1.908 1.00 0.00 O ATOM 776 CB MET A 490 -16.095 -0.350 -1.035 1.00 0.00 C ATOM 777 CG MET A 490 -15.995 -0.327 -2.558 1.00 0.00 C ATOM 778 SD MET A 490 -16.555 -1.851 -3.383 1.00 0.00 S ATOM 779 CE MET A 490 -18.191 -2.103 -2.627 1.00 0.00 C ATOM 0 H MET A 490 -13.503 -0.700 -0.153 1.00 0.00 H new ATOM 0 HA MET A 490 -15.317 1.595 -0.600 1.00 0.00 H new ATOM 0 HB2 MET A 490 -15.930 -1.373 -0.696 1.00 0.00 H new ATOM 0 HB3 MET A 490 -17.113 -0.081 -0.754 1.00 0.00 H new ATOM 0 HG2 MET A 490 -16.583 0.510 -2.934 1.00 0.00 H new ATOM 0 HG3 MET A 490 -14.958 -0.139 -2.837 1.00 0.00 H new ATOM 0 HE1 MET A 490 -18.685 -2.950 -3.103 1.00 0.00 H new ATOM 0 HE2 MET A 490 -18.073 -2.304 -1.562 1.00 0.00 H new ATOM 0 HE3 MET A 490 -18.796 -1.207 -2.762 1.00 0.00 H new ATOM 789 N GLY A 491 -16.424 0.967 1.758 1.00 0.00 N ATOM 790 CA GLY A 491 -16.760 0.883 3.178 1.00 0.00 C ATOM 791 C GLY A 491 -16.958 -0.562 3.675 1.00 0.00 C ATOM 792 O GLY A 491 -17.080 -1.490 2.868 1.00 0.00 O ATOM 0 H GLY A 491 -17.096 1.503 1.209 1.00 0.00 H new ATOM 0 HA2 GLY A 491 -15.968 1.354 3.760 1.00 0.00 H new ATOM 0 HA3 GLY A 491 -17.672 1.451 3.362 1.00 0.00 H new ATOM 796 N PRO A 492 -16.972 -0.771 5.004 1.00 0.00 N ATOM 797 CA PRO A 492 -17.164 -2.090 5.589 1.00 0.00 C ATOM 798 C PRO A 492 -18.628 -2.495 5.394 1.00 0.00 C ATOM 799 O PRO A 492 -19.490 -1.635 5.192 1.00 0.00 O ATOM 800 CB PRO A 492 -16.768 -1.946 7.059 1.00 0.00 C ATOM 801 CG PRO A 492 -17.010 -0.470 7.377 1.00 0.00 C ATOM 802 CD PRO A 492 -16.846 0.246 6.035 1.00 0.00 C ATOM 0 HA PRO A 492 -16.562 -2.874 5.129 1.00 0.00 H new ATOM 0 HB2 PRO A 492 -17.369 -2.593 7.697 1.00 0.00 H new ATOM 0 HB3 PRO A 492 -15.725 -2.221 7.218 1.00 0.00 H new ATOM 0 HG2 PRO A 492 -18.006 -0.312 7.792 1.00 0.00 H new ATOM 0 HG3 PRO A 492 -16.296 -0.101 8.113 1.00 0.00 H new ATOM 0 HD2 PRO A 492 -17.605 1.018 5.912 1.00 0.00 H new ATOM 0 HD3 PRO A 492 -15.876 0.740 5.975 1.00 0.00 H new ATOM 810 N GLY A 493 -18.933 -3.792 5.467 1.00 0.00 N ATOM 811 CA GLY A 493 -20.288 -4.304 5.271 1.00 0.00 C ATOM 812 C GLY A 493 -20.546 -4.428 3.770 1.00 0.00 C ATOM 813 O GLY A 493 -20.845 -5.511 3.268 1.00 0.00 O ATOM 0 H GLY A 493 -18.244 -4.518 5.664 1.00 0.00 H new ATOM 0 HA2 GLY A 493 -20.401 -5.274 5.756 1.00 0.00 H new ATOM 0 HA3 GLY A 493 -21.016 -3.633 5.727 1.00 0.00 H new ATOM 817 N CYS A 494 -20.319 -3.336 3.040 1.00 0.00 N ATOM 818 CA CYS A 494 -20.466 -3.188 1.599 1.00 0.00 C ATOM 819 C CYS A 494 -19.553 -4.118 0.799 1.00 0.00 C ATOM 820 O CYS A 494 -19.787 -4.345 -0.392 1.00 0.00 O ATOM 821 CB CYS A 494 -20.021 -1.771 1.239 1.00 0.00 C ATOM 822 SG CYS A 494 -20.795 -0.424 2.165 1.00 0.00 S ATOM 0 H CYS A 494 -20.004 -2.470 3.477 1.00 0.00 H new ATOM 0 HA CYS A 494 -21.504 -3.416 1.357 1.00 0.00 H new ATOM 0 HB2 CYS A 494 -18.942 -1.706 1.379 1.00 0.00 H new ATOM 0 HB3 CYS A 494 -20.215 -1.611 0.178 1.00 0.00 H new ATOM 827 N SER A 495 -18.479 -4.605 1.416 1.00 0.00 N ATOM 828 CA SER A 495 -17.511 -5.481 0.783 1.00 0.00 C ATOM 829 C SER A 495 -16.731 -6.240 1.830 1.00 0.00 C ATOM 830 O SER A 495 -16.534 -5.734 2.944 1.00 0.00 O ATOM 831 CB SER A 495 -16.518 -4.656 -0.037 1.00 0.00 C ATOM 832 OG SER A 495 -16.301 -3.351 0.467 1.00 0.00 O ATOM 0 H SER A 495 -18.258 -4.394 2.389 1.00 0.00 H new ATOM 0 HA SER A 495 -18.051 -6.175 0.140 1.00 0.00 H new ATOM 0 HB2 SER A 495 -15.565 -5.184 -0.073 1.00 0.00 H new ATOM 0 HB3 SER A 495 -16.881 -4.583 -1.062 1.00 0.00 H new ATOM 0 HG SER A 495 -15.338 -3.185 0.542 1.00 0.00 H new ATOM 838 N ASP A 496 -16.222 -7.408 1.422 1.00 0.00 N ATOM 839 CA ASP A 496 -15.431 -8.293 2.271 1.00 0.00 C ATOM 840 C ASP A 496 -16.153 -8.600 3.588 1.00 0.00 C ATOM 841 O ASP A 496 -15.533 -8.806 4.632 1.00 0.00 O ATOM 842 CB ASP A 496 -14.021 -7.711 2.413 1.00 0.00 C ATOM 843 CG ASP A 496 -13.036 -8.595 3.169 1.00 0.00 C ATOM 844 OD1 ASP A 496 -13.163 -9.838 3.174 1.00 0.00 O ATOM 845 OD2 ASP A 496 -12.054 -8.009 3.687 1.00 0.00 O ATOM 0 H ASP A 496 -16.353 -7.767 0.476 1.00 0.00 H new ATOM 0 HA ASP A 496 -15.315 -9.274 1.809 1.00 0.00 H new ATOM 0 HB2 ASP A 496 -13.622 -7.516 1.418 1.00 0.00 H new ATOM 0 HB3 ASP A 496 -14.090 -6.750 2.923 1.00 0.00 H new ATOM 850 N GLU A 497 -17.485 -8.609 3.515 1.00 0.00 N ATOM 851 CA GLU A 497 -18.459 -8.890 4.557 1.00 0.00 C ATOM 852 C GLU A 497 -19.687 -9.502 3.878 1.00 0.00 C ATOM 853 O GLU A 497 -19.849 -9.405 2.656 1.00 0.00 O ATOM 854 CB GLU A 497 -18.838 -7.617 5.330 1.00 0.00 C ATOM 855 CG GLU A 497 -17.783 -7.134 6.335 1.00 0.00 C ATOM 856 CD GLU A 497 -17.641 -8.023 7.578 1.00 0.00 C ATOM 857 OE1 GLU A 497 -17.423 -9.255 7.485 1.00 0.00 O ATOM 858 OE2 GLU A 497 -17.725 -7.457 8.692 1.00 0.00 O ATOM 0 H GLU A 497 -17.950 -8.397 2.632 1.00 0.00 H new ATOM 0 HA GLU A 497 -18.038 -9.581 5.287 1.00 0.00 H new ATOM 0 HB2 GLU A 497 -19.029 -6.818 4.614 1.00 0.00 H new ATOM 0 HB3 GLU A 497 -19.771 -7.797 5.863 1.00 0.00 H new ATOM 0 HG2 GLU A 497 -16.818 -7.077 5.832 1.00 0.00 H new ATOM 0 HG3 GLU A 497 -18.037 -6.123 6.653 1.00 0.00 H new ATOM 865 N ASP A 498 -20.509 -10.193 4.663 1.00 0.00 N ATOM 866 CA ASP A 498 -21.743 -10.858 4.241 1.00 0.00 C ATOM 867 C ASP A 498 -22.900 -9.873 4.089 1.00 0.00 C ATOM 868 O ASP A 498 -23.933 -10.251 3.541 1.00 0.00 O ATOM 869 CB ASP A 498 -22.145 -11.937 5.261 1.00 0.00 C ATOM 870 CG ASP A 498 -22.455 -11.350 6.636 1.00 0.00 C ATOM 871 OD1 ASP A 498 -21.526 -10.753 7.225 1.00 0.00 O ATOM 872 OD2 ASP A 498 -23.573 -11.543 7.164 1.00 0.00 O ATOM 0 H ASP A 498 -20.326 -10.311 5.659 1.00 0.00 H new ATOM 0 HA ASP A 498 -21.542 -11.311 3.270 1.00 0.00 H new ATOM 0 HB2 ASP A 498 -23.019 -12.474 4.893 1.00 0.00 H new ATOM 0 HB3 ASP A 498 -21.339 -12.665 5.353 1.00 0.00 H new ATOM 877 N GLY A 499 -22.758 -8.625 4.536 1.00 0.00 N ATOM 878 CA GLY A 499 -23.802 -7.628 4.429 1.00 0.00 C ATOM 879 C GLY A 499 -23.384 -6.356 5.122 1.00 0.00 C ATOM 880 O GLY A 499 -23.834 -5.285 4.664 1.00 0.00 O ATOM 0 H GLY A 499 -21.907 -8.284 4.984 1.00 0.00 H new ATOM 0 HA2 GLY A 499 -24.014 -7.425 3.379 1.00 0.00 H new ATOM 0 HA3 GLY A 499 -24.723 -8.007 4.873 1.00 0.00 H new TER 884 GLY A 499