USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 622 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 469 THR OG1 : rot -170:sc=-0.00498 USER MOD Set 1.2: A 470 THR OG1 : rot -40:sc= 1.41 USER MOD Set 1.3: A 471 LYS NZ :NH3+ -129:sc= -0.265 (180deg=-3.68!) USER MOD Set 2.1: A 462 TYR OH : rot 177:sc= 0.458! USER MOD Set 2.2: A 476 LYS NZ :NH3+ -142:sc= 1.73 (180deg=0.724) USER MOD Single : A 455 THR OG1 : rot 180:sc= -0.0587 USER MOD Single : A 464 THR OG1 : rot -35:sc= 0.0155 USER MOD Single : A 466 LYS NZ :NH3+ 178:sc= -0.0671 (180deg=-0.0843) USER MOD Single : A 468 MET CE :methyl -147:sc= -7.58! (180deg=-10.2!) USER MOD Single : A 475 LYS NZ :NH3+ -134:sc= -0.202 (180deg=-1.63) USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 486 SER OG : rot 92:sc= 0.0796 USER MOD Single : A 488 GLN : amide:sc= -0.0117 X(o=-0.012,f=0) USER MOD Single : A 489 THR OG1 : rot 92:sc= -0.497 USER MOD Single : A 491 ASN : amide:sc= -0.0255 X(o=-0.025,f=-0.055) USER MOD Single : A 495 GLN : amide:sc= -5.43! C(o=-5.4!,f=-7.2!) USER MOD Single : A 498 LYS NZ :NH3+ 170:sc= -4.15! (180deg=-4.95!) USER MOD Single : A 501 ASN : amide:sc= -1.36 X(o=-1.4,f=-1.8!) USER MOD Single : A 505 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 506 MET CE :methyl 163:sc= -0.76 (180deg=-1.34!) USER MOD Single : A 508 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 511 MET CE :methyl 175:sc= -2.85! (180deg=-3.24) USER MOD Single : A 512 HIS : no HE2:sc= -11.3! C(o=-11!,f=-12!) USER MOD Single : A 514 SER OG : rot 105:sc= -4.66! USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 589 HIS : no HD1:sc= -3.5 K(o=-3.5,f=-2) USER MOD Single : B 592 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N ASP B 587 2.020 -2.046 12.754 1.00 0.00 N ATOM 75 CA ASP B 587 2.996 -1.203 12.083 1.00 0.00 C ATOM 76 C ASP B 587 4.314 -1.936 11.847 1.00 0.00 C ATOM 77 O ASP B 587 5.091 -1.565 10.968 1.00 0.00 O ATOM 78 CB ASP B 587 3.239 0.062 12.905 1.00 0.00 C ATOM 79 CG ASP B 587 3.167 1.323 12.064 1.00 0.00 C ATOM 80 OD1 ASP B 587 2.047 1.834 11.855 1.00 0.00 O ATOM 81 OD2 ASP B 587 4.231 1.797 11.615 1.00 0.00 O ATOM 0 HA ASP B 587 2.591 -0.935 11.107 1.00 0.00 H new ATOM 0 HB2 ASP B 587 2.500 0.120 13.705 1.00 0.00 H new ATOM 0 HB3 ASP B 587 4.218 0.001 13.380 1.00 0.00 H new ATOM 86 N ASP B 588 4.565 -2.968 12.643 1.00 0.00 N ATOM 87 CA ASP B 588 5.795 -3.743 12.527 1.00 0.00 C ATOM 88 C ASP B 588 6.004 -4.253 11.109 1.00 0.00 C ATOM 89 O ASP B 588 7.041 -4.007 10.493 1.00 0.00 O ATOM 90 CB ASP B 588 5.771 -4.909 13.499 1.00 0.00 C ATOM 91 CG ASP B 588 7.161 -5.413 13.837 1.00 0.00 C ATOM 92 OD1 ASP B 588 7.776 -4.871 14.780 1.00 0.00 O ATOM 93 OD2 ASP B 588 7.634 -6.350 13.160 1.00 0.00 O ATOM 0 H ASP B 588 3.933 -3.288 13.377 1.00 0.00 H new ATOM 0 HA ASP B 588 6.628 -3.083 12.772 1.00 0.00 H new ATOM 0 HB2 ASP B 588 5.266 -4.603 14.415 1.00 0.00 H new ATOM 0 HB3 ASP B 588 5.187 -5.723 13.070 1.00 0.00 H new ATOM 98 N HIS B 589 5.012 -4.959 10.603 1.00 0.00 N ATOM 99 CA HIS B 589 5.068 -5.512 9.262 1.00 0.00 C ATOM 100 C HIS B 589 4.799 -4.436 8.214 1.00 0.00 C ATOM 101 O HIS B 589 5.182 -4.575 7.053 1.00 0.00 O ATOM 102 CB HIS B 589 4.053 -6.644 9.122 1.00 0.00 C ATOM 103 CG HIS B 589 2.720 -6.343 9.733 1.00 0.00 C ATOM 104 ND1 HIS B 589 2.081 -7.199 10.605 1.00 0.00 N ATOM 105 CD2 HIS B 589 1.907 -5.271 9.597 1.00 0.00 C ATOM 106 CE1 HIS B 589 0.932 -6.666 10.978 1.00 0.00 C ATOM 107 NE2 HIS B 589 0.803 -5.496 10.381 1.00 0.00 N ATOM 0 H HIS B 589 4.149 -5.165 11.106 1.00 0.00 H new ATOM 0 HA HIS B 589 6.071 -5.905 9.096 1.00 0.00 H new ATOM 0 HB2 HIS B 589 3.915 -6.866 8.064 1.00 0.00 H new ATOM 0 HB3 HIS B 589 4.460 -7.543 9.586 1.00 0.00 H new ATOM 0 HD2 HIS B 589 2.092 -4.400 8.986 1.00 0.00 H new ATOM 0 HE1 HIS B 589 0.219 -7.112 11.656 1.00 0.00 H new ATOM 0 HE2 HIS B 589 0.011 -4.862 10.485 1.00 0.00 H new ATOM 116 N LEU B 590 4.140 -3.362 8.633 1.00 0.00 N ATOM 117 CA LEU B 590 3.821 -2.261 7.732 1.00 0.00 C ATOM 118 C LEU B 590 5.092 -1.678 7.120 1.00 0.00 C ATOM 119 O LEU B 590 5.116 -1.303 5.950 1.00 0.00 O ATOM 120 CB LEU B 590 3.054 -1.172 8.480 1.00 0.00 C ATOM 121 CG LEU B 590 2.737 0.078 7.661 1.00 0.00 C ATOM 122 CD1 LEU B 590 1.625 -0.204 6.662 1.00 0.00 C ATOM 123 CD2 LEU B 590 2.354 1.226 8.582 1.00 0.00 C ATOM 0 H LEU B 590 3.816 -3.230 9.591 1.00 0.00 H new ATOM 0 HA LEU B 590 3.196 -2.648 6.927 1.00 0.00 H new ATOM 0 HB2 LEU B 590 2.118 -1.595 8.846 1.00 0.00 H new ATOM 0 HB3 LEU B 590 3.634 -0.877 9.355 1.00 0.00 H new ATOM 0 HG LEU B 590 3.629 0.364 7.103 1.00 0.00 H new ATOM 0 HD11 LEU B 590 1.414 0.698 6.088 1.00 0.00 H new ATOM 0 HD12 LEU B 590 1.937 -0.999 5.985 1.00 0.00 H new ATOM 0 HD13 LEU B 590 0.726 -0.513 7.196 1.00 0.00 H new ATOM 0 HD21 LEU B 590 2.130 2.111 7.987 1.00 0.00 H new ATOM 0 HD22 LEU B 590 1.475 0.948 9.163 1.00 0.00 H new ATOM 0 HD23 LEU B 590 3.182 1.443 9.257 1.00 0.00 H new ATOM 135 N ILE B 591 6.146 -1.605 7.918 1.00 0.00 N ATOM 136 CA ILE B 591 7.413 -1.078 7.450 1.00 0.00 C ATOM 137 C ILE B 591 8.246 -2.173 6.781 1.00 0.00 C ATOM 138 O ILE B 591 9.036 -1.900 5.876 1.00 0.00 O ATOM 139 CB ILE B 591 8.212 -0.429 8.597 1.00 0.00 C ATOM 140 CG1 ILE B 591 7.413 0.733 9.195 1.00 0.00 C ATOM 141 CG2 ILE B 591 9.570 0.054 8.100 1.00 0.00 C ATOM 142 CD1 ILE B 591 8.120 1.427 10.339 1.00 0.00 C ATOM 0 H ILE B 591 6.146 -1.905 8.893 1.00 0.00 H new ATOM 0 HA ILE B 591 7.192 -0.307 6.712 1.00 0.00 H new ATOM 0 HB ILE B 591 8.382 -1.176 9.373 1.00 0.00 H new ATOM 0 HG12 ILE B 591 7.205 1.462 8.411 1.00 0.00 H new ATOM 0 HG13 ILE B 591 6.451 0.359 9.546 1.00 0.00 H new ATOM 0 HG21 ILE B 591 10.118 0.509 8.925 1.00 0.00 H new ATOM 0 HG22 ILE B 591 10.137 -0.792 7.710 1.00 0.00 H new ATOM 0 HG23 ILE B 591 9.427 0.790 7.309 1.00 0.00 H new ATOM 0 HD11 ILE B 591 7.496 2.239 10.713 1.00 0.00 H new ATOM 0 HD12 ILE B 591 8.304 0.712 11.141 1.00 0.00 H new ATOM 0 HD13 ILE B 591 9.070 1.831 9.988 1.00 0.00 H new ATOM 154 N TYR B 592 8.062 -3.415 7.231 1.00 0.00 N ATOM 155 CA TYR B 592 8.794 -4.551 6.677 1.00 0.00 C ATOM 156 C TYR B 592 8.377 -4.819 5.239 1.00 0.00 C ATOM 157 O TYR B 592 9.208 -5.116 4.382 1.00 0.00 O ATOM 158 CB TYR B 592 8.589 -5.802 7.554 1.00 0.00 C ATOM 159 CG TYR B 592 8.203 -7.048 6.780 1.00 0.00 C ATOM 160 CD1 TYR B 592 6.952 -7.155 6.190 1.00 0.00 C ATOM 161 CD2 TYR B 592 9.094 -8.102 6.624 1.00 0.00 C ATOM 162 CE1 TYR B 592 6.596 -8.270 5.467 1.00 0.00 C ATOM 163 CE2 TYR B 592 8.743 -9.229 5.903 1.00 0.00 C ATOM 164 CZ TYR B 592 7.493 -9.307 5.326 1.00 0.00 C ATOM 165 OH TYR B 592 7.140 -10.423 4.603 1.00 0.00 O ATOM 0 H TYR B 592 7.412 -3.658 7.978 1.00 0.00 H new ATOM 0 HA TYR B 592 9.856 -4.306 6.674 1.00 0.00 H new ATOM 0 HB2 TYR B 592 9.508 -6.000 8.105 1.00 0.00 H new ATOM 0 HB3 TYR B 592 7.815 -5.592 8.292 1.00 0.00 H new ATOM 0 HD1 TYR B 592 6.244 -6.347 6.300 1.00 0.00 H new ATOM 0 HD2 TYR B 592 10.075 -8.041 7.072 1.00 0.00 H new ATOM 0 HE1 TYR B 592 5.618 -8.332 5.012 1.00 0.00 H new ATOM 0 HE2 TYR B 592 9.444 -10.043 5.793 1.00 0.00 H new ATOM 0 HH TYR B 592 7.885 -11.060 4.599 1.00 0.00 H new ATOM 175 N LEU B 593 7.089 -4.714 4.982 1.00 0.00 N ATOM 176 CA LEU B 593 6.566 -4.941 3.646 1.00 0.00 C ATOM 177 C LEU B 593 6.777 -3.700 2.787 1.00 0.00 C ATOM 178 O LEU B 593 6.726 -3.759 1.560 1.00 0.00 O ATOM 179 CB LEU B 593 5.087 -5.365 3.699 1.00 0.00 C ATOM 180 CG LEU B 593 4.044 -4.274 3.429 1.00 0.00 C ATOM 181 CD1 LEU B 593 4.258 -3.094 4.351 1.00 0.00 C ATOM 182 CD2 LEU B 593 4.066 -3.840 1.970 1.00 0.00 C ATOM 0 H LEU B 593 6.384 -4.473 5.679 1.00 0.00 H new ATOM 0 HA LEU B 593 7.113 -5.763 3.184 1.00 0.00 H new ATOM 0 HB2 LEU B 593 4.937 -6.165 2.974 1.00 0.00 H new ATOM 0 HB3 LEU B 593 4.890 -5.787 4.685 1.00 0.00 H new ATOM 0 HG LEU B 593 3.058 -4.691 3.633 1.00 0.00 H new ATOM 0 HD11 LEU B 593 3.508 -2.330 4.144 1.00 0.00 H new ATOM 0 HD12 LEU B 593 4.167 -3.421 5.387 1.00 0.00 H new ATOM 0 HD13 LEU B 593 5.253 -2.680 4.187 1.00 0.00 H new ATOM 0 HD21 LEU B 593 3.316 -3.066 1.809 1.00 0.00 H new ATOM 0 HD22 LEU B 593 5.052 -3.447 1.722 1.00 0.00 H new ATOM 0 HD23 LEU B 593 3.846 -4.696 1.332 1.00 0.00 H new ATOM 194 N GLU B 594 7.017 -2.575 3.443 1.00 0.00 N ATOM 195 CA GLU B 594 7.243 -1.329 2.741 1.00 0.00 C ATOM 196 C GLU B 594 8.507 -1.415 1.885 1.00 0.00 C ATOM 197 O GLU B 594 8.597 -0.792 0.827 1.00 0.00 O ATOM 198 CB GLU B 594 7.336 -0.169 3.747 1.00 0.00 C ATOM 199 CG GLU B 594 8.697 0.514 3.805 1.00 0.00 C ATOM 200 CD GLU B 594 8.732 1.661 4.795 1.00 0.00 C ATOM 201 OE1 GLU B 594 7.653 2.206 5.110 1.00 0.00 O ATOM 202 OE2 GLU B 594 9.838 2.016 5.255 1.00 0.00 O ATOM 0 H GLU B 594 7.060 -2.503 4.460 1.00 0.00 H new ATOM 0 HA GLU B 594 6.401 -1.142 2.074 1.00 0.00 H new ATOM 0 HB2 GLU B 594 6.581 0.575 3.494 1.00 0.00 H new ATOM 0 HB3 GLU B 594 7.091 -0.546 4.740 1.00 0.00 H new ATOM 0 HG2 GLU B 594 9.456 -0.219 4.077 1.00 0.00 H new ATOM 0 HG3 GLU B 594 8.955 0.887 2.814 1.00 0.00 H new ATOM 209 N GLU B 595 9.484 -2.182 2.364 1.00 0.00 N ATOM 210 CA GLU B 595 10.755 -2.340 1.663 1.00 0.00 C ATOM 211 C GLU B 595 10.659 -3.321 0.502 1.00 0.00 C ATOM 212 O GLU B 595 11.128 -3.033 -0.600 1.00 0.00 O ATOM 213 CB GLU B 595 11.858 -2.767 2.635 1.00 0.00 C ATOM 214 CG GLU B 595 11.486 -3.946 3.517 1.00 0.00 C ATOM 215 CD GLU B 595 12.679 -4.512 4.264 1.00 0.00 C ATOM 216 OE1 GLU B 595 13.720 -4.757 3.620 1.00 0.00 O ATOM 217 OE2 GLU B 595 12.570 -4.710 5.492 1.00 0.00 O ATOM 0 H GLU B 595 9.419 -2.705 3.237 1.00 0.00 H new ATOM 0 HA GLU B 595 11.009 -1.367 1.242 1.00 0.00 H new ATOM 0 HB2 GLU B 595 12.751 -3.022 2.065 1.00 0.00 H new ATOM 0 HB3 GLU B 595 12.116 -1.919 3.270 1.00 0.00 H new ATOM 0 HG2 GLU B 595 10.727 -3.634 4.234 1.00 0.00 H new ATOM 0 HG3 GLU B 595 11.041 -4.729 2.903 1.00 0.00 H new ATOM 224 N ILE B 596 10.052 -4.471 0.742 1.00 0.00 N ATOM 225 CA ILE B 596 9.901 -5.483 -0.309 1.00 0.00 C ATOM 226 C ILE B 596 9.309 -4.872 -1.570 1.00 0.00 C ATOM 227 O ILE B 596 9.537 -5.356 -2.678 1.00 0.00 O ATOM 228 CB ILE B 596 9.023 -6.673 0.134 1.00 0.00 C ATOM 229 CG1 ILE B 596 7.763 -6.183 0.836 1.00 0.00 C ATOM 230 CG2 ILE B 596 9.800 -7.603 1.047 1.00 0.00 C ATOM 231 CD1 ILE B 596 6.534 -6.225 -0.039 1.00 0.00 C ATOM 0 H ILE B 596 9.656 -4.733 1.645 1.00 0.00 H new ATOM 0 HA ILE B 596 10.903 -5.859 -0.514 1.00 0.00 H new ATOM 0 HB ILE B 596 8.731 -7.225 -0.759 1.00 0.00 H new ATOM 0 HG12 ILE B 596 7.590 -6.793 1.723 1.00 0.00 H new ATOM 0 HG13 ILE B 596 7.921 -5.160 1.178 1.00 0.00 H new ATOM 0 HG21 ILE B 596 9.162 -8.435 1.347 1.00 0.00 H new ATOM 0 HG22 ILE B 596 10.672 -7.987 0.518 1.00 0.00 H new ATOM 0 HG23 ILE B 596 10.124 -7.056 1.932 1.00 0.00 H new ATOM 0 HD11 ILE B 596 5.674 -5.863 0.524 1.00 0.00 H new ATOM 0 HD12 ILE B 596 6.688 -5.593 -0.913 1.00 0.00 H new ATOM 0 HD13 ILE B 596 6.351 -7.250 -0.361 1.00 0.00 H new ATOM 243 N LEU B 597 8.555 -3.804 -1.386 1.00 0.00 N ATOM 244 CA LEU B 597 7.926 -3.107 -2.492 1.00 0.00 C ATOM 245 C LEU B 597 8.939 -2.348 -3.321 1.00 0.00 C ATOM 246 O LEU B 597 9.381 -2.805 -4.375 1.00 0.00 O ATOM 247 CB LEU B 597 6.882 -2.128 -1.961 1.00 0.00 C ATOM 248 CG LEU B 597 6.478 -1.016 -2.937 1.00 0.00 C ATOM 249 CD1 LEU B 597 5.773 -1.596 -4.150 1.00 0.00 C ATOM 250 CD2 LEU B 597 5.598 0.006 -2.240 1.00 0.00 C ATOM 0 H LEU B 597 8.362 -3.397 -0.471 1.00 0.00 H new ATOM 0 HA LEU B 597 7.452 -3.855 -3.127 1.00 0.00 H new ATOM 0 HB2 LEU B 597 5.989 -2.688 -1.683 1.00 0.00 H new ATOM 0 HB3 LEU B 597 7.267 -1.669 -1.050 1.00 0.00 H new ATOM 0 HG LEU B 597 7.382 -0.513 -3.280 1.00 0.00 H new ATOM 0 HD11 LEU B 597 5.495 -0.790 -4.829 1.00 0.00 H new ATOM 0 HD12 LEU B 597 6.441 -2.288 -4.662 1.00 0.00 H new ATOM 0 HD13 LEU B 597 4.876 -2.127 -3.830 1.00 0.00 H new ATOM 0 HD21 LEU B 597 5.320 0.788 -2.946 1.00 0.00 H new ATOM 0 HD22 LEU B 597 4.698 -0.483 -1.867 1.00 0.00 H new ATOM 0 HD23 LEU B 597 6.143 0.447 -1.406 1.00 0.00 H new ATOM 262 N VAL B 598 9.267 -1.166 -2.839 1.00 0.00 N ATOM 263 CA VAL B 598 10.183 -0.292 -3.522 1.00 0.00 C ATOM 264 C VAL B 598 11.062 0.445 -2.528 1.00 0.00 C ATOM 265 O VAL B 598 11.479 1.579 -2.766 1.00 0.00 O ATOM 266 CB VAL B 598 9.421 0.731 -4.384 1.00 0.00 C ATOM 267 CG1 VAL B 598 8.560 0.035 -5.429 1.00 0.00 C ATOM 268 CG2 VAL B 598 8.566 1.631 -3.505 1.00 0.00 C ATOM 0 H VAL B 598 8.903 -0.790 -1.963 1.00 0.00 H new ATOM 0 HA VAL B 598 10.810 -0.907 -4.168 1.00 0.00 H new ATOM 0 HB VAL B 598 10.154 1.345 -4.907 1.00 0.00 H new ATOM 0 HG11 VAL B 598 8.034 0.782 -6.023 1.00 0.00 H new ATOM 0 HG12 VAL B 598 9.194 -0.566 -6.081 1.00 0.00 H new ATOM 0 HG13 VAL B 598 7.835 -0.610 -4.932 1.00 0.00 H new ATOM 0 HG21 VAL B 598 8.033 2.349 -4.129 1.00 0.00 H new ATOM 0 HG22 VAL B 598 7.847 1.025 -2.954 1.00 0.00 H new ATOM 0 HG23 VAL B 598 9.204 2.165 -2.801 1.00 0.00 H new ATOM 367 N VAL A 454 -8.478 -6.883 -1.936 1.00 0.00 N ATOM 368 CA VAL A 454 -7.261 -6.198 -2.353 1.00 0.00 C ATOM 369 C VAL A 454 -6.659 -6.870 -3.575 1.00 0.00 C ATOM 370 O VAL A 454 -6.295 -8.045 -3.535 1.00 0.00 O ATOM 371 CB VAL A 454 -6.226 -6.146 -1.210 1.00 0.00 C ATOM 372 CG1 VAL A 454 -4.796 -6.120 -1.740 1.00 0.00 C ATOM 373 CG2 VAL A 454 -6.498 -4.936 -0.344 1.00 0.00 C ATOM 0 HA VAL A 454 -7.531 -5.174 -2.612 1.00 0.00 H new ATOM 0 HB VAL A 454 -6.327 -7.052 -0.613 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -4.098 -6.083 -0.903 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -4.610 -7.018 -2.329 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -4.656 -5.240 -2.367 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -5.768 -4.896 0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -6.420 -4.032 -0.948 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -7.501 -5.007 0.076 1.00 0.00 H new ATOM 383 N THR A 455 -6.572 -6.120 -4.663 1.00 0.00 N ATOM 384 CA THR A 455 -6.030 -6.656 -5.897 1.00 0.00 C ATOM 385 C THR A 455 -4.995 -5.745 -6.518 1.00 0.00 C ATOM 386 O THR A 455 -4.783 -4.615 -6.081 1.00 0.00 O ATOM 387 CB THR A 455 -7.157 -6.898 -6.887 1.00 0.00 C ATOM 388 OG1 THR A 455 -7.954 -5.736 -7.036 1.00 0.00 O ATOM 389 CG2 THR A 455 -8.056 -8.024 -6.448 1.00 0.00 C ATOM 0 H THR A 455 -6.868 -5.145 -4.715 1.00 0.00 H new ATOM 0 HA THR A 455 -5.532 -7.595 -5.653 1.00 0.00 H new ATOM 0 HB THR A 455 -6.685 -7.160 -7.834 1.00 0.00 H new ATOM 0 HG1 THR A 455 -8.673 -5.912 -7.679 1.00 0.00 H new ATOM 0 HG21 THR A 455 -8.848 -8.165 -7.183 1.00 0.00 H new ATOM 0 HG22 THR A 455 -7.474 -8.942 -6.362 1.00 0.00 H new ATOM 0 HG23 THR A 455 -8.497 -7.782 -5.481 1.00 0.00 H new ATOM 397 N GLU A 456 -4.370 -6.260 -7.561 1.00 0.00 N ATOM 398 CA GLU A 456 -3.360 -5.534 -8.296 1.00 0.00 C ATOM 399 C GLU A 456 -3.986 -4.381 -9.061 1.00 0.00 C ATOM 400 O GLU A 456 -3.559 -3.233 -8.947 1.00 0.00 O ATOM 401 CB GLU A 456 -2.676 -6.486 -9.266 1.00 0.00 C ATOM 402 CG GLU A 456 -1.448 -7.169 -8.684 1.00 0.00 C ATOM 403 CD GLU A 456 -0.717 -8.016 -9.708 1.00 0.00 C ATOM 404 OE1 GLU A 456 -0.399 -7.490 -10.795 1.00 0.00 O ATOM 405 OE2 GLU A 456 -0.460 -9.204 -9.421 1.00 0.00 O ATOM 0 H GLU A 456 -4.552 -7.197 -7.920 1.00 0.00 H new ATOM 0 HA GLU A 456 -2.629 -5.126 -7.597 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -3.390 -7.247 -9.580 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -2.385 -5.934 -10.160 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -0.768 -6.414 -8.290 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -1.748 -7.797 -7.845 1.00 0.00 H new ATOM 412 N ASP A 457 -5.000 -4.710 -9.847 1.00 0.00 N ATOM 413 CA ASP A 457 -5.705 -3.721 -10.659 1.00 0.00 C ATOM 414 C ASP A 457 -6.295 -2.600 -9.808 1.00 0.00 C ATOM 415 O ASP A 457 -6.458 -1.473 -10.277 1.00 0.00 O ATOM 416 CB ASP A 457 -6.809 -4.398 -11.469 1.00 0.00 C ATOM 417 CG ASP A 457 -6.589 -4.274 -12.965 1.00 0.00 C ATOM 418 OD1 ASP A 457 -5.754 -5.028 -13.506 1.00 0.00 O ATOM 419 OD2 ASP A 457 -7.252 -3.423 -13.593 1.00 0.00 O ATOM 0 H ASP A 457 -5.357 -5.661 -9.942 1.00 0.00 H new ATOM 0 HA ASP A 457 -4.977 -3.273 -11.336 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -6.860 -5.453 -11.198 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -7.770 -3.956 -11.208 1.00 0.00 H new ATOM 424 N ALA A 458 -6.621 -2.916 -8.564 1.00 0.00 N ATOM 425 CA ALA A 458 -7.203 -1.939 -7.653 1.00 0.00 C ATOM 426 C ALA A 458 -6.184 -0.889 -7.233 1.00 0.00 C ATOM 427 O ALA A 458 -6.528 0.271 -7.021 1.00 0.00 O ATOM 428 CB ALA A 458 -7.770 -2.633 -6.424 1.00 0.00 C ATOM 0 H ALA A 458 -6.492 -3.844 -8.160 1.00 0.00 H new ATOM 0 HA ALA A 458 -8.009 -1.433 -8.184 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -8.201 -1.890 -5.753 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -8.543 -3.339 -6.729 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -6.973 -3.168 -5.908 1.00 0.00 H new ATOM 434 N VAL A 459 -4.932 -1.299 -7.100 1.00 0.00 N ATOM 435 CA VAL A 459 -3.884 -0.380 -6.696 1.00 0.00 C ATOM 436 C VAL A 459 -3.470 0.529 -7.845 1.00 0.00 C ATOM 437 O VAL A 459 -3.198 1.712 -7.645 1.00 0.00 O ATOM 438 CB VAL A 459 -2.653 -1.121 -6.154 1.00 0.00 C ATOM 439 CG1 VAL A 459 -1.678 -0.136 -5.535 1.00 0.00 C ATOM 440 CG2 VAL A 459 -3.070 -2.174 -5.138 1.00 0.00 C ATOM 0 H VAL A 459 -4.620 -2.256 -7.265 1.00 0.00 H new ATOM 0 HA VAL A 459 -4.298 0.231 -5.894 1.00 0.00 H new ATOM 0 HB VAL A 459 -2.156 -1.625 -6.983 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -0.810 -0.674 -5.154 1.00 0.00 H new ATOM 0 HG12 VAL A 459 -1.358 0.582 -6.290 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -2.165 0.392 -4.715 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -2.185 -2.689 -4.764 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -3.588 -1.694 -4.308 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -3.736 -2.894 -5.613 1.00 0.00 H new ATOM 450 N ARG A 460 -3.442 -0.025 -9.049 1.00 0.00 N ATOM 451 CA ARG A 460 -3.077 0.745 -10.238 1.00 0.00 C ATOM 452 C ARG A 460 -3.959 1.985 -10.350 1.00 0.00 C ATOM 453 O ARG A 460 -3.474 3.084 -10.614 1.00 0.00 O ATOM 454 CB ARG A 460 -3.218 -0.107 -11.504 1.00 0.00 C ATOM 455 CG ARG A 460 -2.628 -1.506 -11.383 1.00 0.00 C ATOM 456 CD ARG A 460 -1.184 -1.474 -10.903 1.00 0.00 C ATOM 457 NE ARG A 460 -0.252 -1.891 -11.948 1.00 0.00 N ATOM 458 CZ ARG A 460 -0.083 -3.154 -12.329 1.00 0.00 C ATOM 459 NH1 ARG A 460 -0.781 -4.127 -11.756 1.00 0.00 N ATOM 460 NH2 ARG A 460 0.786 -3.446 -13.288 1.00 0.00 N ATOM 0 H ARG A 460 -3.667 -1.003 -9.232 1.00 0.00 H new ATOM 0 HA ARG A 460 -2.035 1.050 -10.140 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -4.275 -0.191 -11.756 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -2.733 0.410 -12.332 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -3.228 -2.094 -10.689 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -2.678 -2.006 -12.350 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -0.933 -0.465 -10.575 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -1.075 -2.128 -10.038 1.00 0.00 H new ATOM 0 HE ARG A 460 0.302 -1.171 -12.413 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -1.451 -3.908 -11.019 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -0.647 -5.094 -12.053 1.00 0.00 H new ATOM 0 HH21 ARG A 460 1.324 -2.702 -13.733 1.00 0.00 H new ATOM 0 HH22 ARG A 460 0.916 -4.414 -13.581 1.00 0.00 H new ATOM 474 N ARG A 461 -5.257 1.795 -10.131 1.00 0.00 N ATOM 475 CA ARG A 461 -6.213 2.892 -10.192 1.00 0.00 C ATOM 476 C ARG A 461 -5.902 3.931 -9.117 1.00 0.00 C ATOM 477 O ARG A 461 -6.168 5.119 -9.295 1.00 0.00 O ATOM 478 CB ARG A 461 -7.640 2.360 -10.043 1.00 0.00 C ATOM 479 CG ARG A 461 -7.930 1.816 -8.664 1.00 0.00 C ATOM 480 CD ARG A 461 -9.276 2.283 -8.140 1.00 0.00 C ATOM 481 NE ARG A 461 -10.161 1.162 -7.829 1.00 0.00 N ATOM 482 CZ ARG A 461 -10.769 0.420 -8.752 1.00 0.00 C ATOM 483 NH1 ARG A 461 -10.590 0.676 -10.043 1.00 0.00 N ATOM 484 NH2 ARG A 461 -11.557 -0.580 -8.384 1.00 0.00 N ATOM 0 H ARG A 461 -5.670 0.889 -9.909 1.00 0.00 H new ATOM 0 HA ARG A 461 -6.129 3.377 -11.165 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -8.345 3.161 -10.266 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -7.807 1.574 -10.779 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -7.910 0.727 -8.693 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -7.144 2.131 -7.977 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -9.127 2.887 -7.245 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -9.751 2.925 -8.882 1.00 0.00 H new ATOM 0 HE ARG A 461 -10.322 0.935 -6.848 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -9.984 1.444 -10.331 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -11.058 0.104 -10.746 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -11.697 -0.781 -7.394 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -12.023 -1.149 -9.091 1.00 0.00 H new ATOM 498 N TYR A 462 -5.321 3.478 -8.008 1.00 0.00 N ATOM 499 CA TYR A 462 -4.957 4.377 -6.920 1.00 0.00 C ATOM 500 C TYR A 462 -3.810 5.280 -7.355 1.00 0.00 C ATOM 501 O TYR A 462 -3.823 6.486 -7.112 1.00 0.00 O ATOM 502 CB TYR A 462 -4.541 3.587 -5.671 1.00 0.00 C ATOM 503 CG TYR A 462 -5.595 2.633 -5.146 1.00 0.00 C ATOM 504 CD1 TYR A 462 -6.899 2.660 -5.631 1.00 0.00 C ATOM 505 CD2 TYR A 462 -5.282 1.702 -4.161 1.00 0.00 C ATOM 506 CE1 TYR A 462 -7.858 1.788 -5.150 1.00 0.00 C ATOM 507 CE2 TYR A 462 -6.236 0.828 -3.678 1.00 0.00 C ATOM 508 CZ TYR A 462 -7.521 0.875 -4.175 1.00 0.00 C ATOM 509 OH TYR A 462 -8.472 0.005 -3.695 1.00 0.00 O ATOM 0 H TYR A 462 -5.094 2.498 -7.841 1.00 0.00 H new ATOM 0 HA TYR A 462 -5.829 4.983 -6.674 1.00 0.00 H new ATOM 0 HB2 TYR A 462 -3.639 3.020 -5.900 1.00 0.00 H new ATOM 0 HB3 TYR A 462 -4.282 4.292 -4.881 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -7.166 3.374 -6.396 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -4.277 1.662 -3.768 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -8.866 1.822 -5.537 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -5.976 0.110 -2.914 1.00 0.00 H new ATOM 0 HH TYR A 462 -8.060 -0.607 -3.050 1.00 0.00 H new ATOM 519 N LEU A 463 -2.818 4.676 -8.001 1.00 0.00 N ATOM 520 CA LEU A 463 -1.651 5.395 -8.479 1.00 0.00 C ATOM 521 C LEU A 463 -2.018 6.359 -9.599 1.00 0.00 C ATOM 522 O LEU A 463 -1.816 7.567 -9.481 1.00 0.00 O ATOM 523 CB LEU A 463 -0.602 4.405 -8.980 1.00 0.00 C ATOM 524 CG LEU A 463 -0.573 3.046 -8.273 1.00 0.00 C ATOM 525 CD1 LEU A 463 0.714 2.309 -8.598 1.00 0.00 C ATOM 526 CD2 LEU A 463 -0.723 3.212 -6.765 1.00 0.00 C ATOM 0 H LEU A 463 -2.804 3.677 -8.206 1.00 0.00 H new ATOM 0 HA LEU A 463 -1.246 5.973 -7.648 1.00 0.00 H new ATOM 0 HB2 LEU A 463 -0.769 4.236 -10.044 1.00 0.00 H new ATOM 0 HB3 LEU A 463 0.381 4.866 -8.881 1.00 0.00 H new ATOM 0 HG LEU A 463 -1.416 2.457 -8.635 1.00 0.00 H new ATOM 0 HD11 LEU A 463 0.720 1.345 -8.089 1.00 0.00 H new ATOM 0 HD12 LEU A 463 0.781 2.151 -9.674 1.00 0.00 H new ATOM 0 HD13 LEU A 463 1.566 2.901 -8.265 1.00 0.00 H new ATOM 0 HD21 LEU A 463 -0.699 2.233 -6.287 1.00 0.00 H new ATOM 0 HD22 LEU A 463 0.095 3.822 -6.383 1.00 0.00 H new ATOM 0 HD23 LEU A 463 -1.673 3.700 -6.545 1.00 0.00 H new ATOM 538 N THR A 464 -2.562 5.815 -10.686 1.00 0.00 N ATOM 539 CA THR A 464 -2.960 6.619 -11.826 1.00 0.00 C ATOM 540 C THR A 464 -3.762 7.835 -11.383 1.00 0.00 C ATOM 541 O THR A 464 -3.770 8.868 -12.051 1.00 0.00 O ATOM 542 CB THR A 464 -3.782 5.771 -12.792 1.00 0.00 C ATOM 543 OG1 THR A 464 -5.085 5.548 -12.284 1.00 0.00 O ATOM 544 CG2 THR A 464 -3.165 4.420 -13.086 1.00 0.00 C ATOM 0 H THR A 464 -2.735 4.816 -10.795 1.00 0.00 H new ATOM 0 HA THR A 464 -2.061 6.973 -12.330 1.00 0.00 H new ATOM 0 HB THR A 464 -3.812 6.345 -13.718 1.00 0.00 H new ATOM 0 HG1 THR A 464 -5.045 5.459 -11.309 1.00 0.00 H new ATOM 0 HG21 THR A 464 -3.803 3.872 -13.779 1.00 0.00 H new ATOM 0 HG22 THR A 464 -2.180 4.559 -13.532 1.00 0.00 H new ATOM 0 HG23 THR A 464 -3.067 3.855 -12.159 1.00 0.00 H new ATOM 552 N ARG A 465 -4.432 7.699 -10.247 1.00 0.00 N ATOM 553 CA ARG A 465 -5.235 8.777 -9.705 1.00 0.00 C ATOM 554 C ARG A 465 -4.399 9.682 -8.801 1.00 0.00 C ATOM 555 O ARG A 465 -4.538 10.904 -8.834 1.00 0.00 O ATOM 556 CB ARG A 465 -6.424 8.214 -8.925 1.00 0.00 C ATOM 557 CG ARG A 465 -7.641 7.933 -9.791 1.00 0.00 C ATOM 558 CD ARG A 465 -8.713 7.180 -9.020 1.00 0.00 C ATOM 559 NE ARG A 465 -9.544 8.077 -8.220 1.00 0.00 N ATOM 560 CZ ARG A 465 -10.525 8.824 -8.723 1.00 0.00 C ATOM 561 NH1 ARG A 465 -10.799 8.785 -10.021 1.00 0.00 N ATOM 562 NH2 ARG A 465 -11.232 9.612 -7.926 1.00 0.00 N ATOM 0 H ARG A 465 -4.433 6.848 -9.684 1.00 0.00 H new ATOM 0 HA ARG A 465 -5.606 9.373 -10.539 1.00 0.00 H new ATOM 0 HB2 ARG A 465 -6.120 7.292 -8.430 1.00 0.00 H new ATOM 0 HB3 ARG A 465 -6.701 8.919 -8.142 1.00 0.00 H new ATOM 0 HG2 ARG A 465 -8.050 8.873 -10.161 1.00 0.00 H new ATOM 0 HG3 ARG A 465 -7.342 7.351 -10.663 1.00 0.00 H new ATOM 0 HD2 ARG A 465 -9.343 6.629 -9.719 1.00 0.00 H new ATOM 0 HD3 ARG A 465 -8.242 6.445 -8.368 1.00 0.00 H new ATOM 0 HE ARG A 465 -9.362 8.134 -7.218 1.00 0.00 H new ATOM 0 HH11 ARG A 465 -10.257 8.181 -10.639 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -11.552 9.359 -10.401 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -11.025 9.646 -6.928 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -11.984 10.184 -8.311 1.00 0.00 H new ATOM 576 N LYS A 466 -3.530 9.074 -7.993 1.00 0.00 N ATOM 577 CA LYS A 466 -2.675 9.828 -7.081 1.00 0.00 C ATOM 578 C LYS A 466 -1.706 8.897 -6.344 1.00 0.00 C ATOM 579 O LYS A 466 -2.038 7.750 -6.050 1.00 0.00 O ATOM 580 CB LYS A 466 -3.534 10.614 -6.085 1.00 0.00 C ATOM 581 CG LYS A 466 -4.195 9.747 -5.027 1.00 0.00 C ATOM 582 CD LYS A 466 -3.271 9.543 -3.843 1.00 0.00 C ATOM 583 CE LYS A 466 -3.229 8.087 -3.408 1.00 0.00 C ATOM 584 NZ LYS A 466 -3.172 7.950 -1.927 1.00 0.00 N ATOM 0 H LYS A 466 -3.401 8.063 -7.953 1.00 0.00 H new ATOM 0 HA LYS A 466 -2.082 10.532 -7.665 1.00 0.00 H new ATOM 0 HB2 LYS A 466 -2.911 11.360 -5.592 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -4.306 11.154 -6.633 1.00 0.00 H new ATOM 0 HG2 LYS A 466 -5.122 10.215 -4.694 1.00 0.00 H new ATOM 0 HG3 LYS A 466 -4.462 8.781 -5.456 1.00 0.00 H new ATOM 0 HD2 LYS A 466 -2.266 9.874 -4.104 1.00 0.00 H new ATOM 0 HD3 LYS A 466 -3.604 10.162 -3.010 1.00 0.00 H new ATOM 0 HE2 LYS A 466 -4.111 7.570 -3.786 1.00 0.00 H new ATOM 0 HE3 LYS A 466 -2.360 7.601 -3.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 -3.179 6.942 -1.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 -2.300 8.392 -1.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 -3.997 8.420 -1.503 1.00 0.00 H new ATOM 598 N PRO A 467 -0.483 9.379 -6.044 1.00 0.00 N ATOM 599 CA PRO A 467 0.539 8.577 -5.354 1.00 0.00 C ATOM 600 C PRO A 467 0.144 8.201 -3.929 1.00 0.00 C ATOM 601 O PRO A 467 -0.617 8.911 -3.274 1.00 0.00 O ATOM 602 CB PRO A 467 1.774 9.481 -5.364 1.00 0.00 C ATOM 603 CG PRO A 467 1.226 10.856 -5.497 1.00 0.00 C ATOM 604 CD PRO A 467 0.008 10.729 -6.366 1.00 0.00 C ATOM 0 HA PRO A 467 0.697 7.618 -5.848 1.00 0.00 H new ATOM 0 HB2 PRO A 467 2.354 9.371 -4.447 1.00 0.00 H new ATOM 0 HB3 PRO A 467 2.439 9.236 -6.193 1.00 0.00 H new ATOM 0 HG2 PRO A 467 0.969 11.271 -4.522 1.00 0.00 H new ATOM 0 HG3 PRO A 467 1.958 11.527 -5.946 1.00 0.00 H new ATOM 0 HD2 PRO A 467 -0.734 11.494 -6.137 1.00 0.00 H new ATOM 0 HD3 PRO A 467 0.253 10.829 -7.423 1.00 0.00 H new ATOM 612 N MET A 468 0.664 7.069 -3.460 1.00 0.00 N ATOM 613 CA MET A 468 0.356 6.585 -2.116 1.00 0.00 C ATOM 614 C MET A 468 1.526 5.831 -1.497 1.00 0.00 C ATOM 615 O MET A 468 2.436 5.379 -2.192 1.00 0.00 O ATOM 616 CB MET A 468 -0.866 5.652 -2.153 1.00 0.00 C ATOM 617 CG MET A 468 -0.535 4.209 -2.525 1.00 0.00 C ATOM 618 SD MET A 468 0.495 4.081 -4.003 1.00 0.00 S ATOM 619 CE MET A 468 1.617 2.761 -3.542 1.00 0.00 C ATOM 0 H MET A 468 1.299 6.471 -3.989 1.00 0.00 H new ATOM 0 HA MET A 468 0.146 7.462 -1.504 1.00 0.00 H new ATOM 0 HB2 MET A 468 -1.348 5.663 -1.175 1.00 0.00 H new ATOM 0 HB3 MET A 468 -1.588 6.044 -2.869 1.00 0.00 H new ATOM 0 HG2 MET A 468 -0.023 3.732 -1.689 1.00 0.00 H new ATOM 0 HG3 MET A 468 -1.462 3.659 -2.686 1.00 0.00 H new ATOM 0 HE1 MET A 468 2.591 2.936 -3.998 1.00 0.00 H new ATOM 0 HE2 MET A 468 1.723 2.736 -2.457 1.00 0.00 H new ATOM 0 HE3 MET A 468 1.219 1.807 -3.889 1.00 0.00 H new ATOM 629 N THR A 469 1.452 5.658 -0.185 1.00 0.00 N ATOM 630 CA THR A 469 2.453 4.908 0.558 1.00 0.00 C ATOM 631 C THR A 469 1.825 3.581 0.974 1.00 0.00 C ATOM 632 O THR A 469 0.600 3.463 0.983 1.00 0.00 O ATOM 633 CB THR A 469 2.916 5.685 1.794 1.00 0.00 C ATOM 634 OG1 THR A 469 2.018 5.495 2.874 1.00 0.00 O ATOM 635 CG2 THR A 469 3.039 7.173 1.560 1.00 0.00 C ATOM 0 H THR A 469 0.699 6.032 0.392 1.00 0.00 H new ATOM 0 HA THR A 469 3.330 4.740 -0.068 1.00 0.00 H new ATOM 0 HB THR A 469 3.904 5.288 2.025 1.00 0.00 H new ATOM 0 HG1 THR A 469 2.240 6.117 3.598 1.00 0.00 H new ATOM 0 HG21 THR A 469 3.371 7.659 2.477 1.00 0.00 H new ATOM 0 HG22 THR A 469 3.765 7.358 0.768 1.00 0.00 H new ATOM 0 HG23 THR A 469 2.070 7.576 1.266 1.00 0.00 H new ATOM 643 N THR A 470 2.630 2.581 1.312 1.00 0.00 N ATOM 644 CA THR A 470 2.068 1.291 1.709 1.00 0.00 C ATOM 645 C THR A 470 1.051 1.464 2.822 1.00 0.00 C ATOM 646 O THR A 470 -0.049 0.917 2.766 1.00 0.00 O ATOM 647 CB THR A 470 3.156 0.311 2.147 1.00 0.00 C ATOM 648 OG1 THR A 470 4.441 0.775 1.784 1.00 0.00 O ATOM 649 CG2 THR A 470 2.978 -1.067 1.549 1.00 0.00 C ATOM 0 H THR A 470 3.649 2.632 1.321 1.00 0.00 H new ATOM 0 HA THR A 470 1.569 0.875 0.833 1.00 0.00 H new ATOM 0 HB THR A 470 3.064 0.243 3.231 1.00 0.00 H new ATOM 0 HG1 THR A 470 4.404 1.173 0.889 1.00 0.00 H new ATOM 0 HG21 THR A 470 3.779 -1.720 1.895 1.00 0.00 H new ATOM 0 HG22 THR A 470 2.017 -1.477 1.859 1.00 0.00 H new ATOM 0 HG23 THR A 470 3.010 -0.999 0.462 1.00 0.00 H new ATOM 657 N LYS A 471 1.424 2.243 3.819 1.00 0.00 N ATOM 658 CA LYS A 471 0.543 2.510 4.946 1.00 0.00 C ATOM 659 C LYS A 471 -0.748 3.150 4.458 1.00 0.00 C ATOM 660 O LYS A 471 -1.841 2.640 4.699 1.00 0.00 O ATOM 661 CB LYS A 471 1.228 3.432 5.957 1.00 0.00 C ATOM 662 CG LYS A 471 2.672 3.059 6.251 1.00 0.00 C ATOM 663 CD LYS A 471 3.646 3.913 5.456 1.00 0.00 C ATOM 664 CE LYS A 471 4.762 3.075 4.851 1.00 0.00 C ATOM 665 NZ LYS A 471 4.714 3.072 3.362 1.00 0.00 N ATOM 0 H LYS A 471 2.332 2.704 3.874 1.00 0.00 H new ATOM 0 HA LYS A 471 0.313 1.564 5.436 1.00 0.00 H new ATOM 0 HB2 LYS A 471 1.197 4.455 5.581 1.00 0.00 H new ATOM 0 HB3 LYS A 471 0.662 3.417 6.889 1.00 0.00 H new ATOM 0 HG2 LYS A 471 2.869 3.178 7.316 1.00 0.00 H new ATOM 0 HG3 LYS A 471 2.832 2.007 6.013 1.00 0.00 H new ATOM 0 HD2 LYS A 471 3.110 4.434 4.662 1.00 0.00 H new ATOM 0 HD3 LYS A 471 4.075 4.677 6.105 1.00 0.00 H new ATOM 0 HE2 LYS A 471 5.726 3.462 5.182 1.00 0.00 H new ATOM 0 HE3 LYS A 471 4.686 2.051 5.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 4.747 2.092 3.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 3.833 3.523 3.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 5.528 3.599 2.987 1.00 0.00 H new ATOM 679 N ASP A 472 -0.607 4.273 3.767 1.00 0.00 N ATOM 680 CA ASP A 472 -1.754 5.002 3.238 1.00 0.00 C ATOM 681 C ASP A 472 -2.561 4.153 2.255 1.00 0.00 C ATOM 682 O ASP A 472 -3.760 4.371 2.082 1.00 0.00 O ATOM 683 CB ASP A 472 -1.290 6.289 2.555 1.00 0.00 C ATOM 684 CG ASP A 472 -2.450 7.130 2.056 1.00 0.00 C ATOM 685 OD1 ASP A 472 -3.138 7.749 2.894 1.00 0.00 O ATOM 686 OD2 ASP A 472 -2.668 7.169 0.827 1.00 0.00 O ATOM 0 H ASP A 472 0.295 4.702 3.558 1.00 0.00 H new ATOM 0 HA ASP A 472 -2.404 5.249 4.078 1.00 0.00 H new ATOM 0 HB2 ASP A 472 -0.695 6.875 3.256 1.00 0.00 H new ATOM 0 HB3 ASP A 472 -0.640 6.038 1.717 1.00 0.00 H new ATOM 691 N LEU A 473 -1.906 3.192 1.605 1.00 0.00 N ATOM 692 CA LEU A 473 -2.589 2.334 0.640 1.00 0.00 C ATOM 693 C LEU A 473 -3.410 1.258 1.334 1.00 0.00 C ATOM 694 O LEU A 473 -4.543 0.977 0.947 1.00 0.00 O ATOM 695 CB LEU A 473 -1.586 1.686 -0.306 1.00 0.00 C ATOM 696 CG LEU A 473 -2.095 1.467 -1.729 1.00 0.00 C ATOM 697 CD1 LEU A 473 -0.930 1.241 -2.677 1.00 0.00 C ATOM 698 CD2 LEU A 473 -3.056 0.287 -1.773 1.00 0.00 C ATOM 0 H LEU A 473 -0.914 2.990 1.727 1.00 0.00 H new ATOM 0 HA LEU A 473 -3.267 2.965 0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 473 -0.692 2.309 -0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.286 0.724 0.109 1.00 0.00 H new ATOM 0 HG LEU A 473 -2.632 2.360 -2.048 1.00 0.00 H new ATOM 0 HD11 LEU A 473 -1.308 1.086 -3.688 1.00 0.00 H new ATOM 0 HD12 LEU A 473 -0.276 2.113 -2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 473 -0.369 0.362 -2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 473 -3.410 0.144 -2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -2.542 -0.614 -1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 473 -3.905 0.485 -1.119 1.00 0.00 H new ATOM 710 N LEU A 474 -2.818 0.650 2.346 1.00 0.00 N ATOM 711 CA LEU A 474 -3.480 -0.414 3.093 1.00 0.00 C ATOM 712 C LEU A 474 -4.394 0.131 4.189 1.00 0.00 C ATOM 713 O LEU A 474 -5.420 -0.473 4.504 1.00 0.00 O ATOM 714 CB LEU A 474 -2.453 -1.364 3.702 1.00 0.00 C ATOM 715 CG LEU A 474 -1.454 -0.691 4.628 1.00 0.00 C ATOM 716 CD1 LEU A 474 -1.877 -0.849 6.080 1.00 0.00 C ATOM 717 CD2 LEU A 474 -0.054 -1.247 4.407 1.00 0.00 C ATOM 0 H LEU A 474 -1.878 0.873 2.673 1.00 0.00 H new ATOM 0 HA LEU A 474 -4.101 -0.959 2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 474 -2.978 -2.142 4.256 1.00 0.00 H new ATOM 0 HB3 LEU A 474 -1.909 -1.858 2.897 1.00 0.00 H new ATOM 0 HG LEU A 474 -1.435 0.373 4.394 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -1.148 -0.360 6.727 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -2.856 -0.392 6.226 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -1.931 -1.909 6.330 1.00 0.00 H new ATOM 0 HD21 LEU A 474 0.645 -0.751 5.080 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -0.052 -2.318 4.607 1.00 0.00 H new ATOM 0 HD23 LEU A 474 0.249 -1.070 3.375 1.00 0.00 H new ATOM 729 N LYS A 475 -4.018 1.263 4.779 1.00 0.00 N ATOM 730 CA LYS A 475 -4.811 1.866 5.848 1.00 0.00 C ATOM 731 C LYS A 475 -6.279 1.999 5.447 1.00 0.00 C ATOM 732 O LYS A 475 -7.173 1.892 6.285 1.00 0.00 O ATOM 733 CB LYS A 475 -4.249 3.239 6.227 1.00 0.00 C ATOM 734 CG LYS A 475 -3.381 3.212 7.476 1.00 0.00 C ATOM 735 CD LYS A 475 -1.960 3.660 7.179 1.00 0.00 C ATOM 736 CE LYS A 475 -1.309 4.292 8.398 1.00 0.00 C ATOM 737 NZ LYS A 475 -0.423 5.431 8.027 1.00 0.00 N ATOM 0 H LYS A 475 -3.173 1.780 4.537 1.00 0.00 H new ATOM 0 HA LYS A 475 -4.752 1.205 6.712 1.00 0.00 H new ATOM 0 HB2 LYS A 475 -3.662 3.626 5.394 1.00 0.00 H new ATOM 0 HB3 LYS A 475 -5.076 3.932 6.383 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -3.816 3.861 8.236 1.00 0.00 H new ATOM 0 HG3 LYS A 475 -3.366 2.203 7.888 1.00 0.00 H new ATOM 0 HD2 LYS A 475 -1.369 2.805 6.852 1.00 0.00 H new ATOM 0 HD3 LYS A 475 -1.967 4.376 6.357 1.00 0.00 H new ATOM 0 HE2 LYS A 475 -2.082 4.641 9.082 1.00 0.00 H new ATOM 0 HE3 LYS A 475 -0.728 3.539 8.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 0.480 5.349 8.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 -0.245 5.413 7.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 -0.884 6.327 8.283 1.00 0.00 H new ATOM 751 N LYS A 476 -6.517 2.239 4.162 1.00 0.00 N ATOM 752 CA LYS A 476 -7.877 2.393 3.658 1.00 0.00 C ATOM 753 C LYS A 476 -8.589 1.046 3.560 1.00 0.00 C ATOM 754 O LYS A 476 -9.764 0.932 3.910 1.00 0.00 O ATOM 755 CB LYS A 476 -7.875 3.090 2.295 1.00 0.00 C ATOM 756 CG LYS A 476 -6.784 2.601 1.355 1.00 0.00 C ATOM 757 CD LYS A 476 -7.266 2.557 -0.087 1.00 0.00 C ATOM 758 CE LYS A 476 -7.465 1.129 -0.565 1.00 0.00 C ATOM 759 NZ LYS A 476 -8.745 0.965 -1.308 1.00 0.00 N ATOM 0 H LYS A 476 -5.789 2.331 3.453 1.00 0.00 H new ATOM 0 HA LYS A 476 -8.422 3.014 4.368 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -8.844 2.940 1.820 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -7.757 4.163 2.447 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -5.917 3.258 1.430 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -6.458 1.607 1.661 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -8.204 3.105 -0.175 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -6.542 3.059 -0.729 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -6.633 0.842 -1.208 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -7.453 0.455 0.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -9.168 0.045 -1.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -9.401 1.726 -1.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -8.561 1.009 -2.331 1.00 0.00 H new ATOM 773 N PHE A 477 -7.879 0.026 3.082 1.00 0.00 N ATOM 774 CA PHE A 477 -8.452 -1.303 2.942 1.00 0.00 C ATOM 775 C PHE A 477 -8.828 -1.881 4.300 1.00 0.00 C ATOM 776 O PHE A 477 -9.776 -2.656 4.419 1.00 0.00 O ATOM 777 CB PHE A 477 -7.454 -2.222 2.245 1.00 0.00 C ATOM 778 CG PHE A 477 -7.520 -2.161 0.747 1.00 0.00 C ATOM 779 CD1 PHE A 477 -8.698 -2.448 0.076 1.00 0.00 C ATOM 780 CD2 PHE A 477 -6.400 -1.820 0.010 1.00 0.00 C ATOM 781 CE1 PHE A 477 -8.755 -2.393 -1.304 1.00 0.00 C ATOM 782 CE2 PHE A 477 -6.451 -1.763 -1.368 1.00 0.00 C ATOM 783 CZ PHE A 477 -7.630 -2.050 -2.027 1.00 0.00 C ATOM 0 H PHE A 477 -6.906 0.099 2.786 1.00 0.00 H new ATOM 0 HA PHE A 477 -9.358 -1.226 2.342 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -6.446 -1.959 2.566 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -7.633 -3.248 2.566 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -9.581 -2.717 0.637 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -5.474 -1.596 0.519 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -9.679 -2.618 -1.816 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -5.569 -1.494 -1.931 1.00 0.00 H new ATOM 0 HZ PHE A 477 -7.672 -2.006 -3.105 1.00 0.00 H new ATOM 889 N LEU A 484 -10.490 -8.079 5.936 1.00 0.00 N ATOM 890 CA LEU A 484 -9.156 -8.604 6.153 1.00 0.00 C ATOM 891 C LEU A 484 -8.452 -7.858 7.281 1.00 0.00 C ATOM 892 O LEU A 484 -8.399 -6.629 7.291 1.00 0.00 O ATOM 893 CB LEU A 484 -8.333 -8.519 4.865 1.00 0.00 C ATOM 894 CG LEU A 484 -7.984 -9.868 4.235 1.00 0.00 C ATOM 895 CD1 LEU A 484 -9.191 -10.446 3.512 1.00 0.00 C ATOM 896 CD2 LEU A 484 -6.807 -9.724 3.282 1.00 0.00 C ATOM 0 HA LEU A 484 -9.248 -9.651 6.443 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -8.886 -7.926 4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -7.408 -7.983 5.077 1.00 0.00 H new ATOM 0 HG LEU A 484 -7.698 -10.556 5.030 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -8.925 -11.406 3.070 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -10.007 -10.587 4.221 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -9.508 -9.760 2.726 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -6.573 -10.694 2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -7.064 -9.020 2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -5.939 -9.354 3.829 1.00 0.00 H new ATOM 908 N SER A 485 -7.910 -8.617 8.227 1.00 0.00 N ATOM 909 CA SER A 485 -7.200 -8.046 9.369 1.00 0.00 C ATOM 910 C SER A 485 -6.243 -6.941 8.938 1.00 0.00 C ATOM 911 O SER A 485 -5.697 -6.975 7.835 1.00 0.00 O ATOM 912 CB SER A 485 -6.417 -9.134 10.094 1.00 0.00 C ATOM 913 OG SER A 485 -6.714 -9.144 11.479 1.00 0.00 O ATOM 0 H SER A 485 -7.949 -9.636 8.226 1.00 0.00 H new ATOM 0 HA SER A 485 -7.945 -7.615 10.038 1.00 0.00 H new ATOM 0 HB2 SER A 485 -6.655 -10.106 9.662 1.00 0.00 H new ATOM 0 HB3 SER A 485 -5.349 -8.974 9.950 1.00 0.00 H new ATOM 0 HG SER A 485 -6.199 -9.853 11.919 1.00 0.00 H new ATOM 919 N SER A 486 -6.026 -5.973 9.823 1.00 0.00 N ATOM 920 CA SER A 486 -5.114 -4.875 9.533 1.00 0.00 C ATOM 921 C SER A 486 -3.720 -5.415 9.230 1.00 0.00 C ATOM 922 O SER A 486 -2.920 -4.764 8.559 1.00 0.00 O ATOM 923 CB SER A 486 -5.056 -3.902 10.711 1.00 0.00 C ATOM 924 OG SER A 486 -6.268 -3.918 11.446 1.00 0.00 O ATOM 0 H SER A 486 -6.467 -5.927 10.742 1.00 0.00 H new ATOM 0 HA SER A 486 -5.484 -4.340 8.658 1.00 0.00 H new ATOM 0 HB2 SER A 486 -4.226 -4.168 11.366 1.00 0.00 H new ATOM 0 HB3 SER A 486 -4.862 -2.894 10.345 1.00 0.00 H new ATOM 0 HG SER A 486 -6.201 -4.572 12.173 1.00 0.00 H new ATOM 930 N GLU A 487 -3.445 -6.617 9.728 1.00 0.00 N ATOM 931 CA GLU A 487 -2.162 -7.267 9.518 1.00 0.00 C ATOM 932 C GLU A 487 -2.163 -8.043 8.212 1.00 0.00 C ATOM 933 O GLU A 487 -1.310 -7.835 7.349 1.00 0.00 O ATOM 934 CB GLU A 487 -1.846 -8.208 10.682 1.00 0.00 C ATOM 935 CG GLU A 487 -2.191 -7.629 12.044 1.00 0.00 C ATOM 936 CD GLU A 487 -1.814 -8.555 13.184 1.00 0.00 C ATOM 937 OE1 GLU A 487 -0.627 -8.565 13.573 1.00 0.00 O ATOM 938 OE2 GLU A 487 -2.706 -9.269 13.689 1.00 0.00 O ATOM 0 H GLU A 487 -4.103 -7.162 10.285 1.00 0.00 H new ATOM 0 HA GLU A 487 -1.393 -6.496 9.466 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -2.394 -9.140 10.544 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -0.785 -8.456 10.660 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -1.677 -6.676 12.170 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -3.260 -7.423 12.087 1.00 0.00 H new ATOM 945 N GLN A 488 -3.131 -8.932 8.076 1.00 0.00 N ATOM 946 CA GLN A 488 -3.263 -9.743 6.875 1.00 0.00 C ATOM 947 C GLN A 488 -3.460 -8.852 5.657 1.00 0.00 C ATOM 948 O GLN A 488 -2.880 -9.093 4.599 1.00 0.00 O ATOM 949 CB GLN A 488 -4.427 -10.725 7.009 1.00 0.00 C ATOM 950 CG GLN A 488 -3.982 -12.153 7.277 1.00 0.00 C ATOM 951 CD GLN A 488 -5.125 -13.049 7.711 1.00 0.00 C ATOM 952 OE1 GLN A 488 -5.035 -13.744 8.724 1.00 0.00 O ATOM 953 NE2 GLN A 488 -6.209 -13.038 6.946 1.00 0.00 N ATOM 0 H GLN A 488 -3.841 -9.112 8.785 1.00 0.00 H new ATOM 0 HA GLN A 488 -2.345 -10.317 6.746 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -5.078 -10.397 7.819 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -5.019 -10.702 6.094 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -3.526 -12.563 6.376 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -3.213 -12.151 8.050 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -6.241 -12.447 6.115 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -7.010 -13.621 7.189 1.00 0.00 H new ATOM 962 N THR A 489 -4.265 -7.801 5.820 1.00 0.00 N ATOM 963 CA THR A 489 -4.510 -6.860 4.733 1.00 0.00 C ATOM 964 C THR A 489 -3.180 -6.407 4.146 1.00 0.00 C ATOM 965 O THR A 489 -3.063 -6.169 2.945 1.00 0.00 O ATOM 966 CB THR A 489 -5.305 -5.652 5.233 1.00 0.00 C ATOM 967 OG1 THR A 489 -6.571 -6.050 5.723 1.00 0.00 O ATOM 968 CG2 THR A 489 -5.538 -4.604 4.164 1.00 0.00 C ATOM 0 H THR A 489 -4.754 -7.583 6.688 1.00 0.00 H new ATOM 0 HA THR A 489 -5.097 -7.357 3.961 1.00 0.00 H new ATOM 0 HB THR A 489 -4.695 -5.215 6.024 1.00 0.00 H new ATOM 0 HG1 THR A 489 -6.508 -6.230 6.684 1.00 0.00 H new ATOM 0 HG21 THR A 489 -6.107 -3.775 4.585 1.00 0.00 H new ATOM 0 HG22 THR A 489 -4.579 -4.237 3.799 1.00 0.00 H new ATOM 0 HG23 THR A 489 -6.096 -5.045 3.338 1.00 0.00 H new ATOM 976 N VAL A 490 -2.176 -6.317 5.012 1.00 0.00 N ATOM 977 CA VAL A 490 -0.835 -5.920 4.599 1.00 0.00 C ATOM 978 C VAL A 490 -0.140 -7.085 3.909 1.00 0.00 C ATOM 979 O VAL A 490 0.510 -6.920 2.878 1.00 0.00 O ATOM 980 CB VAL A 490 0.015 -5.476 5.803 1.00 0.00 C ATOM 981 CG1 VAL A 490 1.252 -4.723 5.341 1.00 0.00 C ATOM 982 CG2 VAL A 490 -0.809 -4.628 6.759 1.00 0.00 C ATOM 0 H VAL A 490 -2.267 -6.515 6.009 1.00 0.00 H new ATOM 0 HA VAL A 490 -0.935 -5.079 3.912 1.00 0.00 H new ATOM 0 HB VAL A 490 0.342 -6.368 6.337 1.00 0.00 H new ATOM 0 HG11 VAL A 490 1.838 -4.419 6.208 1.00 0.00 H new ATOM 0 HG12 VAL A 490 1.855 -5.370 4.704 1.00 0.00 H new ATOM 0 HG13 VAL A 490 0.951 -3.839 4.778 1.00 0.00 H new ATOM 0 HG21 VAL A 490 -0.189 -4.325 7.603 1.00 0.00 H new ATOM 0 HG22 VAL A 490 -1.172 -3.742 6.239 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -1.657 -5.209 7.122 1.00 0.00 H new ATOM 992 N ASN A 491 -0.304 -8.268 4.490 1.00 0.00 N ATOM 993 CA ASN A 491 0.282 -9.486 3.948 1.00 0.00 C ATOM 994 C ASN A 491 -0.186 -9.708 2.510 1.00 0.00 C ATOM 995 O ASN A 491 0.495 -10.354 1.715 1.00 0.00 O ATOM 996 CB ASN A 491 -0.104 -10.676 4.837 1.00 0.00 C ATOM 997 CG ASN A 491 0.033 -12.015 4.136 1.00 0.00 C ATOM 998 OD1 ASN A 491 1.113 -12.384 3.675 1.00 0.00 O ATOM 999 ND2 ASN A 491 -1.071 -12.751 4.055 1.00 0.00 N ATOM 0 H ASN A 491 -0.843 -8.409 5.344 1.00 0.00 H new ATOM 0 HA ASN A 491 1.368 -9.391 3.936 1.00 0.00 H new ATOM 0 HB2 ASN A 491 0.523 -10.674 5.728 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -1.134 -10.552 5.172 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -1.044 -13.662 3.596 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -1.945 -12.405 4.452 1.00 0.00 H new ATOM 1006 N VAL A 492 -1.357 -9.166 2.191 1.00 0.00 N ATOM 1007 CA VAL A 492 -1.930 -9.295 0.857 1.00 0.00 C ATOM 1008 C VAL A 492 -1.704 -8.029 0.032 1.00 0.00 C ATOM 1009 O VAL A 492 -1.865 -8.037 -1.185 1.00 0.00 O ATOM 1010 CB VAL A 492 -3.441 -9.587 0.933 1.00 0.00 C ATOM 1011 CG1 VAL A 492 -4.164 -8.466 1.665 1.00 0.00 C ATOM 1012 CG2 VAL A 492 -4.026 -9.790 -0.457 1.00 0.00 C ATOM 0 H VAL A 492 -1.930 -8.630 2.843 1.00 0.00 H new ATOM 0 HA VAL A 492 -1.426 -10.130 0.370 1.00 0.00 H new ATOM 0 HB VAL A 492 -3.582 -10.511 1.494 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -5.230 -8.689 1.709 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -3.769 -8.378 2.677 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -4.011 -7.527 1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -5.094 -9.995 -0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -3.873 -8.889 -1.051 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -3.531 -10.632 -0.941 1.00 0.00 H new ATOM 1022 N LEU A 493 -1.331 -6.942 0.692 1.00 0.00 N ATOM 1023 CA LEU A 493 -1.089 -5.690 -0.001 1.00 0.00 C ATOM 1024 C LEU A 493 0.378 -5.578 -0.403 1.00 0.00 C ATOM 1025 O LEU A 493 0.710 -4.992 -1.432 1.00 0.00 O ATOM 1026 CB LEU A 493 -1.492 -4.500 0.881 1.00 0.00 C ATOM 1027 CG LEU A 493 -1.785 -3.178 0.150 1.00 0.00 C ATOM 1028 CD1 LEU A 493 -2.019 -3.395 -1.340 1.00 0.00 C ATOM 1029 CD2 LEU A 493 -2.988 -2.486 0.774 1.00 0.00 C ATOM 0 H LEU A 493 -1.191 -6.904 1.702 1.00 0.00 H new ATOM 0 HA LEU A 493 -1.699 -5.674 -0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.379 -4.780 1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -0.694 -4.323 1.602 1.00 0.00 H new ATOM 0 HG LEU A 493 -0.907 -2.541 0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -2.222 -2.438 -1.820 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -1.131 -3.843 -1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -2.871 -4.060 -1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -3.184 -1.552 0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -3.860 -3.135 0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -2.782 -2.274 1.823 1.00 0.00 H new ATOM 1041 N ALA A 494 1.253 -6.154 0.416 1.00 0.00 N ATOM 1042 CA ALA A 494 2.685 -6.130 0.148 1.00 0.00 C ATOM 1043 C ALA A 494 2.996 -6.789 -1.189 1.00 0.00 C ATOM 1044 O ALA A 494 3.853 -6.325 -1.940 1.00 0.00 O ATOM 1045 CB ALA A 494 3.439 -6.833 1.267 1.00 0.00 C ATOM 0 H ALA A 494 0.993 -6.644 1.272 1.00 0.00 H new ATOM 0 HA ALA A 494 3.008 -5.090 0.101 1.00 0.00 H new ATOM 0 HB1 ALA A 494 4.508 -6.809 1.056 1.00 0.00 H new ATOM 0 HB2 ALA A 494 3.244 -6.326 2.212 1.00 0.00 H new ATOM 0 HB3 ALA A 494 3.106 -7.869 1.336 1.00 0.00 H new ATOM 1051 N GLN A 495 2.297 -7.882 -1.470 1.00 0.00 N ATOM 1052 CA GLN A 495 2.489 -8.623 -2.702 1.00 0.00 C ATOM 1053 C GLN A 495 2.069 -7.808 -3.921 1.00 0.00 C ATOM 1054 O GLN A 495 2.727 -7.836 -4.959 1.00 0.00 O ATOM 1055 CB GLN A 495 1.683 -9.917 -2.650 1.00 0.00 C ATOM 1056 CG GLN A 495 0.264 -9.727 -2.164 1.00 0.00 C ATOM 1057 CD GLN A 495 -0.766 -9.975 -3.251 1.00 0.00 C ATOM 1058 OE1 GLN A 495 -0.434 -10.423 -4.349 1.00 0.00 O ATOM 1059 NE2 GLN A 495 -2.023 -9.684 -2.948 1.00 0.00 N ATOM 0 H GLN A 495 1.587 -8.274 -0.852 1.00 0.00 H new ATOM 0 HA GLN A 495 3.552 -8.846 -2.798 1.00 0.00 H new ATOM 0 HB2 GLN A 495 1.661 -10.362 -3.645 1.00 0.00 H new ATOM 0 HB3 GLN A 495 2.191 -10.625 -1.995 1.00 0.00 H new ATOM 0 HG2 GLN A 495 0.076 -10.404 -1.330 1.00 0.00 H new ATOM 0 HG3 GLN A 495 0.147 -8.712 -1.784 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -2.253 -9.315 -2.025 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -2.761 -9.829 -3.637 1.00 0.00 H new ATOM 1068 N ILE A 496 0.953 -7.104 -3.794 1.00 0.00 N ATOM 1069 CA ILE A 496 0.421 -6.304 -4.888 1.00 0.00 C ATOM 1070 C ILE A 496 1.158 -4.970 -5.060 1.00 0.00 C ATOM 1071 O ILE A 496 1.261 -4.452 -6.173 1.00 0.00 O ATOM 1072 CB ILE A 496 -1.080 -6.021 -4.688 1.00 0.00 C ATOM 1073 CG1 ILE A 496 -1.907 -7.267 -5.011 1.00 0.00 C ATOM 1074 CG2 ILE A 496 -1.518 -4.860 -5.561 1.00 0.00 C ATOM 1075 CD1 ILE A 496 -3.149 -7.405 -4.159 1.00 0.00 C ATOM 0 H ILE A 496 0.396 -7.071 -2.940 1.00 0.00 H new ATOM 0 HA ILE A 496 0.572 -6.896 -5.791 1.00 0.00 H new ATOM 0 HB ILE A 496 -1.245 -5.756 -3.644 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -2.198 -7.238 -6.061 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -1.284 -8.151 -4.877 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -2.581 -4.671 -5.409 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -0.950 -3.969 -5.294 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -1.339 -5.104 -6.608 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -3.686 -8.310 -4.443 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -2.865 -7.466 -3.109 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -3.793 -6.538 -4.311 1.00 0.00 H new ATOM 1087 N LEU A 497 1.640 -4.400 -3.964 1.00 0.00 N ATOM 1088 CA LEU A 497 2.331 -3.112 -4.010 1.00 0.00 C ATOM 1089 C LEU A 497 3.427 -3.076 -5.082 1.00 0.00 C ATOM 1090 O LEU A 497 3.503 -2.131 -5.867 1.00 0.00 O ATOM 1091 CB LEU A 497 2.934 -2.791 -2.639 1.00 0.00 C ATOM 1092 CG LEU A 497 2.202 -1.712 -1.832 1.00 0.00 C ATOM 1093 CD1 LEU A 497 2.053 -0.425 -2.635 1.00 0.00 C ATOM 1094 CD2 LEU A 497 0.841 -2.217 -1.384 1.00 0.00 C ATOM 0 H LEU A 497 1.567 -4.806 -3.031 1.00 0.00 H new ATOM 0 HA LEU A 497 1.590 -2.357 -4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 497 2.959 -3.707 -2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 497 3.968 -2.475 -2.781 1.00 0.00 H new ATOM 0 HG LEU A 497 2.802 -1.489 -0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 497 1.530 0.320 -2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 497 3.040 -0.047 -2.903 1.00 0.00 H new ATOM 0 HD13 LEU A 497 1.483 -0.626 -3.542 1.00 0.00 H new ATOM 0 HD21 LEU A 497 0.334 -1.439 -0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 497 0.242 -2.473 -2.258 1.00 0.00 H new ATOM 0 HD23 LEU A 497 0.969 -3.101 -0.760 1.00 0.00 H new ATOM 1106 N LYS A 498 4.292 -4.085 -5.088 1.00 0.00 N ATOM 1107 CA LYS A 498 5.406 -4.142 -6.039 1.00 0.00 C ATOM 1108 C LYS A 498 4.945 -4.313 -7.483 1.00 0.00 C ATOM 1109 O LYS A 498 5.618 -3.862 -8.409 1.00 0.00 O ATOM 1110 CB LYS A 498 6.373 -5.265 -5.662 1.00 0.00 C ATOM 1111 CG LYS A 498 5.761 -6.653 -5.745 1.00 0.00 C ATOM 1112 CD LYS A 498 5.248 -7.128 -4.393 1.00 0.00 C ATOM 1113 CE LYS A 498 6.340 -7.082 -3.329 1.00 0.00 C ATOM 1114 NZ LYS A 498 6.061 -8.024 -2.210 1.00 0.00 N ATOM 0 H LYS A 498 4.246 -4.877 -4.446 1.00 0.00 H new ATOM 0 HA LYS A 498 5.917 -3.181 -5.978 1.00 0.00 H new ATOM 0 HB2 LYS A 498 7.241 -5.221 -6.320 1.00 0.00 H new ATOM 0 HB3 LYS A 498 6.733 -5.097 -4.647 1.00 0.00 H new ATOM 0 HG2 LYS A 498 4.941 -6.646 -6.463 1.00 0.00 H new ATOM 0 HG3 LYS A 498 6.505 -7.356 -6.119 1.00 0.00 H new ATOM 0 HD2 LYS A 498 4.410 -6.504 -4.082 1.00 0.00 H new ATOM 0 HD3 LYS A 498 4.871 -8.147 -4.484 1.00 0.00 H new ATOM 0 HE2 LYS A 498 7.300 -7.330 -3.782 1.00 0.00 H new ATOM 0 HE3 LYS A 498 6.424 -6.068 -2.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 6.898 -8.091 -1.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 5.252 -7.676 -1.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 5.838 -8.964 -2.595 1.00 0.00 H new ATOM 1128 N ARG A 499 3.804 -4.955 -7.676 1.00 0.00 N ATOM 1129 CA ARG A 499 3.277 -5.165 -9.028 1.00 0.00 C ATOM 1130 C ARG A 499 3.076 -3.829 -9.735 1.00 0.00 C ATOM 1131 O ARG A 499 3.018 -3.764 -10.964 1.00 0.00 O ATOM 1132 CB ARG A 499 1.944 -5.925 -9.003 1.00 0.00 C ATOM 1133 CG ARG A 499 1.807 -6.912 -7.859 1.00 0.00 C ATOM 1134 CD ARG A 499 2.909 -7.951 -7.879 1.00 0.00 C ATOM 1135 NE ARG A 499 2.898 -8.739 -9.108 1.00 0.00 N ATOM 1136 CZ ARG A 499 3.932 -9.460 -9.535 1.00 0.00 C ATOM 1137 NH1 ARG A 499 5.060 -9.496 -8.836 1.00 0.00 N ATOM 1138 NH2 ARG A 499 3.839 -10.149 -10.665 1.00 0.00 N ATOM 0 H ARG A 499 3.226 -5.338 -6.928 1.00 0.00 H new ATOM 0 HA ARG A 499 4.009 -5.764 -9.570 1.00 0.00 H new ATOM 0 HB2 ARG A 499 1.129 -5.203 -8.944 1.00 0.00 H new ATOM 0 HB3 ARG A 499 1.827 -6.461 -9.945 1.00 0.00 H new ATOM 0 HG2 ARG A 499 1.831 -6.375 -6.911 1.00 0.00 H new ATOM 0 HG3 ARG A 499 0.838 -7.408 -7.921 1.00 0.00 H new ATOM 0 HD2 ARG A 499 3.875 -7.457 -7.774 1.00 0.00 H new ATOM 0 HD3 ARG A 499 2.796 -8.615 -7.022 1.00 0.00 H new ATOM 0 HE ARG A 499 2.048 -8.737 -9.672 1.00 0.00 H new ATOM 0 HH11 ARG A 499 5.138 -8.969 -7.966 1.00 0.00 H new ATOM 0 HH12 ARG A 499 5.849 -10.051 -9.169 1.00 0.00 H new ATOM 0 HH21 ARG A 499 2.975 -10.126 -11.207 1.00 0.00 H new ATOM 0 HH22 ARG A 499 4.632 -10.702 -10.992 1.00 0.00 H new ATOM 1152 N LEU A 500 2.959 -2.768 -8.945 1.00 0.00 N ATOM 1153 CA LEU A 500 2.750 -1.430 -9.474 1.00 0.00 C ATOM 1154 C LEU A 500 3.895 -0.991 -10.370 1.00 0.00 C ATOM 1155 O LEU A 500 3.678 -0.468 -11.464 1.00 0.00 O ATOM 1156 CB LEU A 500 2.587 -0.444 -8.320 1.00 0.00 C ATOM 1157 CG LEU A 500 1.492 -0.815 -7.322 1.00 0.00 C ATOM 1158 CD1 LEU A 500 1.577 0.054 -6.075 1.00 0.00 C ATOM 1159 CD2 LEU A 500 0.125 -0.696 -7.978 1.00 0.00 C ATOM 0 H LEU A 500 3.006 -2.812 -7.927 1.00 0.00 H new ATOM 0 HA LEU A 500 1.845 -1.447 -10.081 1.00 0.00 H new ATOM 0 HB2 LEU A 500 3.535 -0.366 -7.788 1.00 0.00 H new ATOM 0 HB3 LEU A 500 2.369 0.543 -8.729 1.00 0.00 H new ATOM 0 HG LEU A 500 1.638 -1.850 -7.014 1.00 0.00 H new ATOM 0 HD11 LEU A 500 0.787 -0.229 -5.380 1.00 0.00 H new ATOM 0 HD12 LEU A 500 2.547 -0.087 -5.599 1.00 0.00 H new ATOM 0 HD13 LEU A 500 1.458 1.101 -6.353 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -0.649 -0.963 -7.258 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -0.030 0.330 -8.313 1.00 0.00 H new ATOM 0 HD23 LEU A 500 0.072 -1.369 -8.833 1.00 0.00 H new ATOM 1171 N ASN A 501 5.109 -1.189 -9.892 1.00 0.00 N ATOM 1172 CA ASN A 501 6.292 -0.796 -10.639 1.00 0.00 C ATOM 1173 C ASN A 501 6.217 0.691 -10.971 1.00 0.00 C ATOM 1174 O ASN A 501 6.240 1.085 -12.137 1.00 0.00 O ATOM 1175 CB ASN A 501 6.408 -1.636 -11.911 1.00 0.00 C ATOM 1176 CG ASN A 501 7.553 -1.208 -12.802 1.00 0.00 C ATOM 1177 OD1 ASN A 501 7.385 -0.392 -13.709 1.00 0.00 O ATOM 1178 ND2 ASN A 501 8.728 -1.765 -12.546 1.00 0.00 N ATOM 0 H ASN A 501 5.303 -1.620 -8.988 1.00 0.00 H new ATOM 0 HA ASN A 501 7.182 -0.971 -10.034 1.00 0.00 H new ATOM 0 HB2 ASN A 501 6.540 -2.683 -11.637 1.00 0.00 H new ATOM 0 HB3 ASN A 501 5.475 -1.568 -12.471 1.00 0.00 H new ATOM 0 HD21 ASN A 501 9.541 -1.522 -13.111 1.00 0.00 H new ATOM 0 HD22 ASN A 501 8.819 -2.436 -11.783 1.00 0.00 H new ATOM 1185 N PRO A 502 6.116 1.540 -9.935 1.00 0.00 N ATOM 1186 CA PRO A 502 6.025 2.976 -10.072 1.00 0.00 C ATOM 1187 C PRO A 502 7.361 3.644 -9.800 1.00 0.00 C ATOM 1188 O PRO A 502 8.412 3.005 -9.866 1.00 0.00 O ATOM 1189 CB PRO A 502 5.019 3.319 -8.972 1.00 0.00 C ATOM 1190 CG PRO A 502 5.224 2.277 -7.908 1.00 0.00 C ATOM 1191 CD PRO A 502 6.076 1.183 -8.515 1.00 0.00 C ATOM 0 HA PRO A 502 5.738 3.307 -11.070 1.00 0.00 H new ATOM 0 HB2 PRO A 502 5.192 4.321 -8.580 1.00 0.00 H new ATOM 0 HB3 PRO A 502 3.998 3.297 -9.352 1.00 0.00 H new ATOM 0 HG2 PRO A 502 5.715 2.708 -7.036 1.00 0.00 H new ATOM 0 HG3 PRO A 502 4.268 1.878 -7.570 1.00 0.00 H new ATOM 0 HD2 PRO A 502 7.074 1.160 -8.077 1.00 0.00 H new ATOM 0 HD3 PRO A 502 5.637 0.198 -8.360 1.00 0.00 H new ATOM 1199 N GLU A 503 7.314 4.922 -9.474 1.00 0.00 N ATOM 1200 CA GLU A 503 8.509 5.669 -9.169 1.00 0.00 C ATOM 1201 C GLU A 503 8.418 6.231 -7.759 1.00 0.00 C ATOM 1202 O GLU A 503 7.352 6.672 -7.327 1.00 0.00 O ATOM 1203 CB GLU A 503 8.705 6.784 -10.186 1.00 0.00 C ATOM 1204 CG GLU A 503 9.826 6.504 -11.173 1.00 0.00 C ATOM 1205 CD GLU A 503 11.051 7.361 -10.924 1.00 0.00 C ATOM 1206 OE1 GLU A 503 11.556 7.359 -9.781 1.00 0.00 O ATOM 1207 OE2 GLU A 503 11.507 8.035 -11.872 1.00 0.00 O ATOM 0 H GLU A 503 6.452 5.463 -9.415 1.00 0.00 H new ATOM 0 HA GLU A 503 9.372 5.005 -9.223 1.00 0.00 H new ATOM 0 HB2 GLU A 503 7.775 6.934 -10.735 1.00 0.00 H new ATOM 0 HB3 GLU A 503 8.917 7.714 -9.659 1.00 0.00 H new ATOM 0 HG2 GLU A 503 10.105 5.452 -11.111 1.00 0.00 H new ATOM 0 HG3 GLU A 503 9.465 6.679 -12.186 1.00 0.00 H new ATOM 1214 N ARG A 504 9.525 6.197 -7.035 1.00 0.00 N ATOM 1215 CA ARG A 504 9.538 6.689 -5.668 1.00 0.00 C ATOM 1216 C ARG A 504 9.632 8.207 -5.625 1.00 0.00 C ATOM 1217 O ARG A 504 10.433 8.820 -6.331 1.00 0.00 O ATOM 1218 CB ARG A 504 10.687 6.068 -4.882 1.00 0.00 C ATOM 1219 CG ARG A 504 12.063 6.476 -5.383 1.00 0.00 C ATOM 1220 CD ARG A 504 12.879 7.151 -4.291 1.00 0.00 C ATOM 1221 NE ARG A 504 13.389 6.189 -3.316 1.00 0.00 N ATOM 1222 CZ ARG A 504 14.396 6.441 -2.483 1.00 0.00 C ATOM 1223 NH1 ARG A 504 15.003 7.621 -2.502 1.00 0.00 N ATOM 1224 NH2 ARG A 504 14.797 5.510 -1.628 1.00 0.00 N ATOM 0 H ARG A 504 10.419 5.837 -7.368 1.00 0.00 H new ATOM 0 HA ARG A 504 8.596 6.395 -5.204 1.00 0.00 H new ATOM 0 HB2 ARG A 504 10.593 6.352 -3.834 1.00 0.00 H new ATOM 0 HB3 ARG A 504 10.601 4.982 -4.927 1.00 0.00 H new ATOM 0 HG2 ARG A 504 12.595 5.596 -5.744 1.00 0.00 H new ATOM 0 HG3 ARG A 504 11.956 7.154 -6.230 1.00 0.00 H new ATOM 0 HD2 ARG A 504 13.714 7.688 -4.741 1.00 0.00 H new ATOM 0 HD3 ARG A 504 12.262 7.891 -3.782 1.00 0.00 H new ATOM 0 HE ARG A 504 12.947 5.271 -3.271 1.00 0.00 H new ATOM 0 HH11 ARG A 504 14.698 8.341 -3.157 1.00 0.00 H new ATOM 0 HH12 ARG A 504 15.774 7.808 -1.861 1.00 0.00 H new ATOM 0 HH21 ARG A 504 14.334 4.601 -1.609 1.00 0.00 H new ATOM 0 HH22 ARG A 504 15.569 5.702 -0.989 1.00 0.00 H new ATOM 1238 N LYS A 505 8.797 8.797 -4.784 1.00 0.00 N ATOM 1239 CA LYS A 505 8.748 10.244 -4.615 1.00 0.00 C ATOM 1240 C LYS A 505 8.177 10.582 -3.245 1.00 0.00 C ATOM 1241 O LYS A 505 7.517 9.753 -2.624 1.00 0.00 O ATOM 1242 CB LYS A 505 7.893 10.896 -5.707 1.00 0.00 C ATOM 1243 CG LYS A 505 7.995 10.213 -7.063 1.00 0.00 C ATOM 1244 CD LYS A 505 7.047 10.836 -8.074 1.00 0.00 C ATOM 1245 CE LYS A 505 5.599 10.492 -7.765 1.00 0.00 C ATOM 1246 NZ LYS A 505 4.682 11.625 -8.070 1.00 0.00 N ATOM 0 H LYS A 505 8.134 8.288 -4.199 1.00 0.00 H new ATOM 0 HA LYS A 505 9.763 10.634 -4.696 1.00 0.00 H new ATOM 0 HB2 LYS A 505 6.851 10.894 -5.388 1.00 0.00 H new ATOM 0 HB3 LYS A 505 8.191 11.939 -5.814 1.00 0.00 H new ATOM 0 HG2 LYS A 505 9.019 10.284 -7.431 1.00 0.00 H new ATOM 0 HG3 LYS A 505 7.768 9.152 -6.955 1.00 0.00 H new ATOM 0 HD2 LYS A 505 7.173 11.919 -8.073 1.00 0.00 H new ATOM 0 HD3 LYS A 505 7.300 10.486 -9.075 1.00 0.00 H new ATOM 0 HE2 LYS A 505 5.302 9.618 -8.345 1.00 0.00 H new ATOM 0 HE3 LYS A 505 5.506 10.223 -6.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 3.704 11.350 -7.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 4.949 12.452 -7.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 4.751 11.865 -9.079 1.00 0.00 H new ATOM 1260 N MET A 506 8.432 11.795 -2.771 1.00 0.00 N ATOM 1261 CA MET A 506 7.934 12.208 -1.468 1.00 0.00 C ATOM 1262 C MET A 506 6.751 13.163 -1.596 1.00 0.00 C ATOM 1263 O MET A 506 6.911 14.319 -1.990 1.00 0.00 O ATOM 1264 CB MET A 506 9.046 12.861 -0.647 1.00 0.00 C ATOM 1265 CG MET A 506 9.803 13.949 -1.391 1.00 0.00 C ATOM 1266 SD MET A 506 10.419 15.241 -0.292 1.00 0.00 S ATOM 1267 CE MET A 506 10.850 14.285 1.162 1.00 0.00 C ATOM 0 H MET A 506 8.975 12.503 -3.265 1.00 0.00 H new ATOM 0 HA MET A 506 7.591 11.311 -0.952 1.00 0.00 H new ATOM 0 HB2 MET A 506 8.613 13.287 0.258 1.00 0.00 H new ATOM 0 HB3 MET A 506 9.751 12.092 -0.332 1.00 0.00 H new ATOM 0 HG2 MET A 506 10.641 13.502 -1.926 1.00 0.00 H new ATOM 0 HG3 MET A 506 9.148 14.395 -2.139 1.00 0.00 H new ATOM 0 HE1 MET A 506 11.510 14.872 1.801 1.00 0.00 H new ATOM 0 HE2 MET A 506 9.944 14.031 1.712 1.00 0.00 H new ATOM 0 HE3 MET A 506 11.359 13.370 0.858 1.00 0.00 H new ATOM 1277 N ILE A 507 5.566 12.674 -1.243 1.00 0.00 N ATOM 1278 CA ILE A 507 4.356 13.484 -1.297 1.00 0.00 C ATOM 1279 C ILE A 507 4.141 14.188 0.041 1.00 0.00 C ATOM 1280 O ILE A 507 3.841 13.548 1.048 1.00 0.00 O ATOM 1281 CB ILE A 507 3.103 12.627 -1.630 1.00 0.00 C ATOM 1282 CG1 ILE A 507 3.075 12.189 -3.109 1.00 0.00 C ATOM 1283 CG2 ILE A 507 1.832 13.392 -1.296 1.00 0.00 C ATOM 1284 CD1 ILE A 507 4.037 12.941 -4.004 1.00 0.00 C ATOM 0 H ILE A 507 5.419 11.719 -0.916 1.00 0.00 H new ATOM 0 HA ILE A 507 4.489 14.219 -2.091 1.00 0.00 H new ATOM 0 HB ILE A 507 3.159 11.727 -1.017 1.00 0.00 H new ATOM 0 HG12 ILE A 507 3.304 11.125 -3.164 1.00 0.00 H new ATOM 0 HG13 ILE A 507 2.064 12.318 -3.494 1.00 0.00 H new ATOM 0 HG21 ILE A 507 0.964 12.778 -1.535 1.00 0.00 H new ATOM 0 HG22 ILE A 507 1.822 13.636 -0.234 1.00 0.00 H new ATOM 0 HG23 ILE A 507 1.797 14.312 -1.879 1.00 0.00 H new ATOM 0 HD11 ILE A 507 3.951 12.569 -5.025 1.00 0.00 H new ATOM 0 HD12 ILE A 507 3.797 14.004 -3.984 1.00 0.00 H new ATOM 0 HD13 ILE A 507 5.057 12.792 -3.649 1.00 0.00 H new ATOM 1296 N ASN A 508 4.301 15.508 0.045 1.00 0.00 N ATOM 1297 CA ASN A 508 4.126 16.292 1.261 1.00 0.00 C ATOM 1298 C ASN A 508 5.100 15.833 2.344 1.00 0.00 C ATOM 1299 O ASN A 508 4.729 15.696 3.510 1.00 0.00 O ATOM 1300 CB ASN A 508 2.687 16.176 1.767 1.00 0.00 C ATOM 1301 CG ASN A 508 2.171 17.478 2.346 1.00 0.00 C ATOM 1302 OD1 ASN A 508 2.914 18.226 2.981 1.00 0.00 O ATOM 1303 ND2 ASN A 508 0.890 17.757 2.128 1.00 0.00 N ATOM 0 H ASN A 508 4.551 16.055 -0.779 1.00 0.00 H new ATOM 0 HA ASN A 508 4.335 17.336 1.026 1.00 0.00 H new ATOM 0 HB2 ASN A 508 2.040 15.865 0.947 1.00 0.00 H new ATOM 0 HB3 ASN A 508 2.634 15.397 2.528 1.00 0.00 H new ATOM 0 HD21 ASN A 508 0.487 18.620 2.493 1.00 0.00 H new ATOM 0 HD22 ASN A 508 0.310 17.108 1.596 1.00 0.00 H new ATOM 1310 N ASP A 509 6.348 15.597 1.948 1.00 0.00 N ATOM 1311 CA ASP A 509 7.383 15.152 2.878 1.00 0.00 C ATOM 1312 C ASP A 509 7.173 13.694 3.288 1.00 0.00 C ATOM 1313 O ASP A 509 7.804 13.211 4.228 1.00 0.00 O ATOM 1314 CB ASP A 509 7.407 16.044 4.121 1.00 0.00 C ATOM 1315 CG ASP A 509 8.815 16.299 4.623 1.00 0.00 C ATOM 1316 OD1 ASP A 509 9.403 15.380 5.231 1.00 0.00 O ATOM 1317 OD2 ASP A 509 9.327 17.417 4.410 1.00 0.00 O ATOM 0 H ASP A 509 6.668 15.707 0.986 1.00 0.00 H new ATOM 0 HA ASP A 509 8.342 15.228 2.365 1.00 0.00 H new ATOM 0 HB2 ASP A 509 6.928 16.996 3.891 1.00 0.00 H new ATOM 0 HB3 ASP A 509 6.821 15.576 4.912 1.00 0.00 H new ATOM 1322 N LYS A 510 6.289 12.995 2.580 1.00 0.00 N ATOM 1323 CA LYS A 510 6.009 11.594 2.877 1.00 0.00 C ATOM 1324 C LYS A 510 6.416 10.700 1.714 1.00 0.00 C ATOM 1325 O LYS A 510 6.090 10.982 0.564 1.00 0.00 O ATOM 1326 CB LYS A 510 4.524 11.396 3.176 1.00 0.00 C ATOM 1327 CG LYS A 510 4.227 10.084 3.883 1.00 0.00 C ATOM 1328 CD LYS A 510 4.223 10.251 5.395 1.00 0.00 C ATOM 1329 CE LYS A 510 5.548 10.797 5.902 1.00 0.00 C ATOM 1330 NZ LYS A 510 5.573 10.907 7.387 1.00 0.00 N ATOM 0 H LYS A 510 5.756 13.376 1.798 1.00 0.00 H new ATOM 0 HA LYS A 510 6.592 11.317 3.755 1.00 0.00 H new ATOM 0 HB2 LYS A 510 4.171 12.222 3.793 1.00 0.00 H new ATOM 0 HB3 LYS A 510 3.963 11.433 2.242 1.00 0.00 H new ATOM 0 HG2 LYS A 510 3.259 9.705 3.556 1.00 0.00 H new ATOM 0 HG3 LYS A 510 4.973 9.341 3.600 1.00 0.00 H new ATOM 0 HD2 LYS A 510 3.417 10.925 5.685 1.00 0.00 H new ATOM 0 HD3 LYS A 510 4.021 9.290 5.867 1.00 0.00 H new ATOM 0 HE2 LYS A 510 6.358 10.146 5.573 1.00 0.00 H new ATOM 0 HE3 LYS A 510 5.728 11.778 5.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 6.493 11.283 7.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 4.816 11.548 7.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 5.427 9.967 7.807 1.00 0.00 H new ATOM 1344 N MET A 511 7.123 9.616 2.017 1.00 0.00 N ATOM 1345 CA MET A 511 7.559 8.692 0.979 1.00 0.00 C ATOM 1346 C MET A 511 6.359 8.033 0.304 1.00 0.00 C ATOM 1347 O MET A 511 5.682 7.193 0.895 1.00 0.00 O ATOM 1348 CB MET A 511 8.481 7.624 1.569 1.00 0.00 C ATOM 1349 CG MET A 511 9.949 8.017 1.562 1.00 0.00 C ATOM 1350 SD MET A 511 10.814 7.449 0.085 1.00 0.00 S ATOM 1351 CE MET A 511 9.632 7.882 -1.188 1.00 0.00 C ATOM 0 H MET A 511 7.403 9.358 2.963 1.00 0.00 H new ATOM 0 HA MET A 511 8.111 9.259 0.229 1.00 0.00 H new ATOM 0 HB2 MET A 511 8.174 7.417 2.594 1.00 0.00 H new ATOM 0 HB3 MET A 511 8.358 6.699 1.006 1.00 0.00 H new ATOM 0 HG2 MET A 511 10.031 9.102 1.632 1.00 0.00 H new ATOM 0 HG3 MET A 511 10.436 7.603 2.445 1.00 0.00 H new ATOM 0 HE1 MET A 511 10.061 7.674 -2.168 1.00 0.00 H new ATOM 0 HE2 MET A 511 8.724 7.293 -1.057 1.00 0.00 H new ATOM 0 HE3 MET A 511 9.391 8.942 -1.115 1.00 0.00 H new ATOM 1361 N HIS A 512 6.111 8.424 -0.940 1.00 0.00 N ATOM 1362 CA HIS A 512 5.007 7.889 -1.717 1.00 0.00 C ATOM 1363 C HIS A 512 5.505 7.264 -3.019 1.00 0.00 C ATOM 1364 O HIS A 512 6.169 7.925 -3.817 1.00 0.00 O ATOM 1365 CB HIS A 512 4.012 9.001 -2.057 1.00 0.00 C ATOM 1366 CG HIS A 512 3.040 9.329 -0.967 1.00 0.00 C ATOM 1367 ND1 HIS A 512 3.424 9.747 0.290 1.00 0.00 N ATOM 1368 CD2 HIS A 512 1.687 9.331 -0.964 1.00 0.00 C ATOM 1369 CE1 HIS A 512 2.347 9.992 1.017 1.00 0.00 C ATOM 1370 NE2 HIS A 512 1.282 9.747 0.279 1.00 0.00 N ATOM 0 H HIS A 512 6.670 9.119 -1.435 1.00 0.00 H new ATOM 0 HA HIS A 512 4.520 7.123 -1.114 1.00 0.00 H new ATOM 0 HB2 HIS A 512 4.569 9.903 -2.311 1.00 0.00 H new ATOM 0 HB3 HIS A 512 3.454 8.710 -2.947 1.00 0.00 H new ATOM 0 HD1 HIS A 512 4.387 9.851 0.609 1.00 0.00 H new ATOM 0 HD2 HIS A 512 1.045 9.056 -1.788 1.00 0.00 H new ATOM 0 HE1 HIS A 512 2.341 10.335 2.041 1.00 0.00 H new ATOM 1379 N PHE A 513 5.160 6.005 -3.240 1.00 0.00 N ATOM 1380 CA PHE A 513 5.547 5.309 -4.458 1.00 0.00 C ATOM 1381 C PHE A 513 4.335 5.175 -5.371 1.00 0.00 C ATOM 1382 O PHE A 513 3.298 4.656 -4.958 1.00 0.00 O ATOM 1383 CB PHE A 513 6.126 3.929 -4.131 1.00 0.00 C ATOM 1384 CG PHE A 513 5.965 3.522 -2.693 1.00 0.00 C ATOM 1385 CD1 PHE A 513 4.820 2.872 -2.265 1.00 0.00 C ATOM 1386 CD2 PHE A 513 6.961 3.796 -1.771 1.00 0.00 C ATOM 1387 CE1 PHE A 513 4.670 2.502 -0.943 1.00 0.00 C ATOM 1388 CE2 PHE A 513 6.819 3.427 -0.447 1.00 0.00 C ATOM 1389 CZ PHE A 513 5.672 2.780 -0.033 1.00 0.00 C ATOM 0 H PHE A 513 4.611 5.443 -2.590 1.00 0.00 H new ATOM 0 HA PHE A 513 6.319 5.886 -4.967 1.00 0.00 H new ATOM 0 HB2 PHE A 513 5.643 3.185 -4.764 1.00 0.00 H new ATOM 0 HB3 PHE A 513 7.186 3.923 -4.383 1.00 0.00 H new ATOM 0 HD1 PHE A 513 4.035 2.652 -2.973 1.00 0.00 H new ATOM 0 HD2 PHE A 513 7.859 4.304 -2.090 1.00 0.00 H new ATOM 0 HE1 PHE A 513 3.772 1.996 -0.621 1.00 0.00 H new ATOM 0 HE2 PHE A 513 7.604 3.644 0.262 1.00 0.00 H new ATOM 0 HZ PHE A 513 5.558 2.491 1.001 1.00 0.00 H new ATOM 1399 N SER A 514 4.446 5.669 -6.601 1.00 0.00 N ATOM 1400 CA SER A 514 3.324 5.612 -7.529 1.00 0.00 C ATOM 1401 C SER A 514 3.673 6.207 -8.892 1.00 0.00 C ATOM 1402 O SER A 514 4.705 6.856 -9.058 1.00 0.00 O ATOM 1403 CB SER A 514 2.135 6.359 -6.927 1.00 0.00 C ATOM 1404 OG SER A 514 0.975 5.551 -6.924 1.00 0.00 O ATOM 0 H SER A 514 5.289 6.107 -6.973 1.00 0.00 H new ATOM 0 HA SER A 514 3.072 4.563 -7.687 1.00 0.00 H new ATOM 0 HB2 SER A 514 2.372 6.665 -5.908 1.00 0.00 H new ATOM 0 HB3 SER A 514 1.947 7.269 -7.497 1.00 0.00 H new ATOM 0 HG SER A 514 0.798 5.236 -6.013 1.00 0.00 H new ATOM 1410 N LEU A 515 2.781 5.990 -9.857 1.00 0.00 N ATOM 1411 CA LEU A 515 2.951 6.504 -11.202 1.00 0.00 C ATOM 1412 C LEU A 515 1.803 7.442 -11.534 1.00 0.00 C ATOM 1413 O LEU A 515 0.815 7.503 -10.801 1.00 0.00 O ATOM 1414 CB LEU A 515 3.013 5.378 -12.239 1.00 0.00 C ATOM 1415 CG LEU A 515 1.781 4.480 -12.280 1.00 0.00 C ATOM 1416 CD1 LEU A 515 1.689 3.726 -13.597 1.00 0.00 C ATOM 1417 CD2 LEU A 515 1.822 3.515 -11.120 1.00 0.00 C ATOM 0 H LEU A 515 1.924 5.453 -9.722 1.00 0.00 H new ATOM 0 HA LEU A 515 3.899 7.041 -11.239 1.00 0.00 H new ATOM 0 HB2 LEU A 515 3.157 5.819 -13.225 1.00 0.00 H new ATOM 0 HB3 LEU A 515 3.888 4.762 -12.034 1.00 0.00 H new ATOM 0 HG LEU A 515 0.893 5.107 -12.199 1.00 0.00 H new ATOM 0 HD11 LEU A 515 0.800 3.095 -13.594 1.00 0.00 H new ATOM 0 HD12 LEU A 515 1.626 4.438 -14.420 1.00 0.00 H new ATOM 0 HD13 LEU A 515 2.575 3.104 -13.723 1.00 0.00 H new ATOM 0 HD21 LEU A 515 0.941 2.873 -11.149 1.00 0.00 H new ATOM 0 HD22 LEU A 515 2.720 2.902 -11.189 1.00 0.00 H new ATOM 0 HD23 LEU A 515 1.834 4.072 -10.183 1.00 0.00 H new ATOM 1429 N LYS A 516 1.919 8.165 -12.636 1.00 0.00 N ATOM 1430 CA LYS A 516 0.867 9.081 -13.035 1.00 0.00 C ATOM 1431 C LYS A 516 0.642 9.044 -14.540 1.00 0.00 C ATOM 1432 O LYS A 516 1.448 9.559 -15.314 1.00 0.00 O ATOM 1433 CB LYS A 516 1.167 10.505 -12.573 1.00 0.00 C ATOM 1434 CG LYS A 516 2.457 10.627 -11.794 1.00 0.00 C ATOM 1435 CD LYS A 516 3.656 10.410 -12.696 1.00 0.00 C ATOM 1436 CE LYS A 516 4.797 9.729 -11.958 1.00 0.00 C ATOM 1437 NZ LYS A 516 6.124 10.119 -12.509 1.00 0.00 N ATOM 0 H LYS A 516 2.723 8.135 -13.263 1.00 0.00 H new ATOM 0 HA LYS A 516 -0.051 8.752 -12.547 1.00 0.00 H new ATOM 0 HB2 LYS A 516 1.215 11.159 -13.444 1.00 0.00 H new ATOM 0 HB3 LYS A 516 0.343 10.859 -11.954 1.00 0.00 H new ATOM 0 HG2 LYS A 516 2.517 11.613 -11.334 1.00 0.00 H new ATOM 0 HG3 LYS A 516 2.468 9.897 -10.985 1.00 0.00 H new ATOM 0 HD2 LYS A 516 3.362 9.803 -13.552 1.00 0.00 H new ATOM 0 HD3 LYS A 516 3.996 11.369 -13.087 1.00 0.00 H new ATOM 0 HE2 LYS A 516 4.752 9.989 -10.900 1.00 0.00 H new ATOM 0 HE3 LYS A 516 4.679 8.647 -12.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 6.876 9.634 -11.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 6.177 9.848 -13.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 6.247 11.148 -12.421 1.00 0.00 H new ATOM 1451 N GLU A 517 -0.464 8.427 -14.947 1.00 0.00 N ATOM 1452 CA GLU A 517 -0.806 8.315 -16.350 1.00 0.00 C ATOM 1453 C GLU A 517 -2.034 9.158 -16.680 1.00 0.00 C ATOM 1454 O GLU A 517 -2.458 9.950 -15.813 1.00 0.00 O ATOM 1455 CB GLU A 517 -1.055 6.851 -16.728 1.00 0.00 C ATOM 1456 CG GLU A 517 -1.362 5.940 -15.549 1.00 0.00 C ATOM 1457 CD GLU A 517 -1.310 4.472 -15.922 1.00 0.00 C ATOM 1458 OE1 GLU A 517 -0.208 3.886 -15.876 1.00 0.00 O ATOM 1459 OE2 GLU A 517 -2.372 3.907 -16.261 1.00 0.00 O ATOM 1460 OXT GLU A 517 -2.561 9.019 -17.804 1.00 0.00 O ATOM 0 H GLU A 517 -1.139 7.996 -14.315 1.00 0.00 H new ATOM 0 HA GLU A 517 0.036 8.690 -16.932 1.00 0.00 H new ATOM 0 HB2 GLU A 517 -1.886 6.807 -17.432 1.00 0.00 H new ATOM 0 HB3 GLU A 517 -0.177 6.468 -17.248 1.00 0.00 H new ATOM 0 HG2 GLU A 517 -0.648 6.134 -14.748 1.00 0.00 H new ATOM 0 HG3 GLU A 517 -2.351 6.178 -15.158 1.00 0.00 H new