USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=20 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 470 THR OG1 : rot 113:sc= 0.827 USER MOD Set 1.2: A 471 LYS NZ :NH3+ 143:sc= 0.607 (180deg=-0.855) USER MOD Single : A 455 THR OG1 : rot 180:sc= 0 USER MOD Single : A 462 TYR OH : rot 152:sc= 1.34 USER MOD Single : A 464 THR OG1 : rot -77:sc= -0.0296 USER MOD Single : A 466 LYS NZ :NH3+ -166:sc= -0.981 (180deg=-1.57) USER MOD Single : A 468 MET CE :methyl -146:sc= -8.41! (180deg=-12.3!) USER MOD Single : A 469 THR OG1 : rot -170:sc= 0.466 USER MOD Single : A 475 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 476 LYS NZ :NH3+ -121:sc= -0.232 (180deg=-3.4!) USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 486 SER OG : rot 180:sc= 0.0443 USER MOD Single : A 488 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 489 THR OG1 : rot 94:sc= 0.736 USER MOD Single : A 491 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 495 GLN : amide:sc= -5.94! C(o=-5.9!,f=-7.8!) USER MOD Single : A 498 LYS NZ :NH3+ 170:sc= -3.31! (180deg=-3.73!) USER MOD Single : A 501 ASN : amide:sc= -1.38 X(o=-1.4,f=-1.9!) USER MOD Single : A 505 LYS NZ :NH3+ 167:sc= -0.119 (180deg=-0.481) USER MOD Single : A 506 MET CE :methyl 165:sc= -2.72! (180deg=-3.04!) USER MOD Single : A 508 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 510 LYS NZ :NH3+ 130:sc= -0.655 (180deg=-0.953) USER MOD Single : A 511 MET CE :methyl -160:sc= -6.17! (180deg=-7.43!) USER MOD Single : A 512 HIS : no HD1:sc= -11! C(o=-11!,f=-13!) USER MOD Single : A 514 SER OG : rot 99:sc= -6.12! USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 589 HIS :FLIP no HE2:sc= -3.14! F(o=-5.2,f=-3.1!) USER MOD Single : B 592 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N ASP B 587 1.924 -2.350 13.166 1.00 0.00 N ATOM 75 CA ASP B 587 2.740 -1.484 12.328 1.00 0.00 C ATOM 76 C ASP B 587 4.140 -2.057 12.124 1.00 0.00 C ATOM 77 O ASP B 587 4.820 -1.726 11.153 1.00 0.00 O ATOM 78 CB ASP B 587 2.813 -0.085 12.945 1.00 0.00 C ATOM 79 CG ASP B 587 3.790 0.001 14.104 1.00 0.00 C ATOM 80 OD1 ASP B 587 4.981 0.284 13.856 1.00 0.00 O ATOM 81 OD2 ASP B 587 3.362 -0.215 15.257 1.00 0.00 O ATOM 0 HA ASP B 587 2.271 -1.418 11.346 1.00 0.00 H new ATOM 0 HB2 ASP B 587 3.105 0.630 12.176 1.00 0.00 H new ATOM 0 HB3 ASP B 587 1.821 0.206 13.291 1.00 0.00 H new ATOM 86 N ASP B 588 4.564 -2.922 13.039 1.00 0.00 N ATOM 87 CA ASP B 588 5.879 -3.542 12.952 1.00 0.00 C ATOM 88 C ASP B 588 6.095 -4.172 11.583 1.00 0.00 C ATOM 89 O ASP B 588 7.135 -3.980 10.953 1.00 0.00 O ATOM 90 CB ASP B 588 6.039 -4.591 14.041 1.00 0.00 C ATOM 91 CG ASP B 588 7.493 -4.897 14.345 1.00 0.00 C ATOM 92 OD1 ASP B 588 8.150 -5.547 13.505 1.00 0.00 O ATOM 93 OD2 ASP B 588 7.973 -4.487 15.422 1.00 0.00 O ATOM 0 H ASP B 588 4.015 -3.209 13.849 1.00 0.00 H new ATOM 0 HA ASP B 588 6.630 -2.765 13.093 1.00 0.00 H new ATOM 0 HB2 ASP B 588 5.547 -4.245 14.950 1.00 0.00 H new ATOM 0 HB3 ASP B 588 5.535 -5.508 13.735 1.00 0.00 H new ATOM 98 N HIS B 589 5.101 -4.920 11.134 1.00 0.00 N ATOM 99 CA HIS B 589 5.156 -5.580 9.847 1.00 0.00 C ATOM 100 C HIS B 589 4.823 -4.609 8.719 1.00 0.00 C ATOM 101 O HIS B 589 5.236 -4.802 7.576 1.00 0.00 O ATOM 102 CB HIS B 589 4.181 -6.752 9.832 1.00 0.00 C ATOM 103 CG HIS B 589 2.776 -6.377 10.192 1.00 0.00 C ATOM 104 ND1 HIS B 589 1.935 -5.456 9.658 1.00 0.00 N flip ATOM 105 CD2 HIS B 589 2.074 -6.986 11.211 1.00 0.00 C flip ATOM 106 CE1 HIS B 589 0.755 -5.531 10.357 1.00 0.00 C flip ATOM 107 NE2 HIS B 589 0.865 -6.460 11.288 1.00 0.00 N flip ATOM 0 H HIS B 589 4.238 -5.084 11.652 1.00 0.00 H new ATOM 0 HA HIS B 589 6.170 -5.947 9.689 1.00 0.00 H new ATOM 0 HB2 HIS B 589 4.184 -7.201 8.839 1.00 0.00 H new ATOM 0 HB3 HIS B 589 4.533 -7.514 10.528 1.00 0.00 H new ATOM 0 HD1 HIS B 589 2.141 -4.826 8.883 1.00 0.00 H new ATOM 0 HD2 HIS B 589 2.454 -7.771 11.847 1.00 0.00 H new ATOM 0 HE1 HIS B 589 -0.122 -4.927 10.174 1.00 0.00 H new ATOM 116 N LEU B 590 4.073 -3.567 9.050 1.00 0.00 N ATOM 117 CA LEU B 590 3.679 -2.564 8.069 1.00 0.00 C ATOM 118 C LEU B 590 4.904 -1.914 7.436 1.00 0.00 C ATOM 119 O LEU B 590 4.866 -1.479 6.289 1.00 0.00 O ATOM 120 CB LEU B 590 2.797 -1.500 8.726 1.00 0.00 C ATOM 121 CG LEU B 590 2.559 -0.241 7.889 1.00 0.00 C ATOM 122 CD1 LEU B 590 1.634 -0.541 6.719 1.00 0.00 C ATOM 123 CD2 LEU B 590 1.989 0.870 8.757 1.00 0.00 C ATOM 0 H LEU B 590 3.724 -3.394 9.993 1.00 0.00 H new ATOM 0 HA LEU B 590 3.110 -3.060 7.283 1.00 0.00 H new ATOM 0 HB2 LEU B 590 1.832 -1.947 8.962 1.00 0.00 H new ATOM 0 HB3 LEU B 590 3.253 -1.207 9.672 1.00 0.00 H new ATOM 0 HG LEU B 590 3.515 0.093 7.486 1.00 0.00 H new ATOM 0 HD11 LEU B 590 1.478 0.367 6.137 1.00 0.00 H new ATOM 0 HD12 LEU B 590 2.085 -1.305 6.086 1.00 0.00 H new ATOM 0 HD13 LEU B 590 0.676 -0.900 7.095 1.00 0.00 H new ATOM 0 HD21 LEU B 590 1.825 1.759 8.148 1.00 0.00 H new ATOM 0 HD22 LEU B 590 1.042 0.545 9.188 1.00 0.00 H new ATOM 0 HD23 LEU B 590 2.691 1.103 9.558 1.00 0.00 H new ATOM 135 N ILE B 591 5.988 -1.839 8.193 1.00 0.00 N ATOM 136 CA ILE B 591 7.211 -1.240 7.700 1.00 0.00 C ATOM 137 C ILE B 591 8.060 -2.261 6.936 1.00 0.00 C ATOM 138 O ILE B 591 8.808 -1.903 6.027 1.00 0.00 O ATOM 139 CB ILE B 591 8.039 -0.626 8.847 1.00 0.00 C ATOM 140 CG1 ILE B 591 7.240 0.488 9.527 1.00 0.00 C ATOM 141 CG2 ILE B 591 9.367 -0.087 8.329 1.00 0.00 C ATOM 142 CD1 ILE B 591 7.943 1.092 10.724 1.00 0.00 C ATOM 0 H ILE B 591 6.042 -2.186 9.150 1.00 0.00 H new ATOM 0 HA ILE B 591 6.923 -0.442 7.015 1.00 0.00 H new ATOM 0 HB ILE B 591 8.253 -1.407 9.577 1.00 0.00 H new ATOM 0 HG12 ILE B 591 7.037 1.274 8.800 1.00 0.00 H new ATOM 0 HG13 ILE B 591 6.276 0.091 9.844 1.00 0.00 H new ATOM 0 HG21 ILE B 591 9.933 0.341 9.156 1.00 0.00 H new ATOM 0 HG22 ILE B 591 9.939 -0.899 7.879 1.00 0.00 H new ATOM 0 HG23 ILE B 591 9.180 0.683 7.580 1.00 0.00 H new ATOM 0 HD11 ILE B 591 7.319 1.874 11.156 1.00 0.00 H new ATOM 0 HD12 ILE B 591 8.122 0.318 11.470 1.00 0.00 H new ATOM 0 HD13 ILE B 591 8.895 1.519 10.409 1.00 0.00 H new ATOM 154 N TYR B 592 7.945 -3.531 7.323 1.00 0.00 N ATOM 155 CA TYR B 592 8.711 -4.605 6.688 1.00 0.00 C ATOM 156 C TYR B 592 8.307 -4.804 5.234 1.00 0.00 C ATOM 157 O TYR B 592 9.148 -5.076 4.378 1.00 0.00 O ATOM 158 CB TYR B 592 8.558 -5.914 7.488 1.00 0.00 C ATOM 159 CG TYR B 592 8.111 -7.102 6.660 1.00 0.00 C ATOM 160 CD1 TYR B 592 6.842 -7.138 6.103 1.00 0.00 C ATOM 161 CD2 TYR B 592 8.964 -8.172 6.418 1.00 0.00 C ATOM 162 CE1 TYR B 592 6.430 -8.199 5.330 1.00 0.00 C ATOM 163 CE2 TYR B 592 8.558 -9.245 5.648 1.00 0.00 C ATOM 164 CZ TYR B 592 7.290 -9.254 5.104 1.00 0.00 C ATOM 165 OH TYR B 592 6.882 -10.316 4.333 1.00 0.00 O ATOM 0 H TYR B 592 7.329 -3.842 8.074 1.00 0.00 H new ATOM 0 HA TYR B 592 9.761 -4.314 6.691 1.00 0.00 H new ATOM 0 HB2 TYR B 592 9.512 -6.152 7.959 1.00 0.00 H new ATOM 0 HB3 TYR B 592 7.838 -5.754 8.290 1.00 0.00 H new ATOM 0 HD1 TYR B 592 6.163 -6.317 6.279 1.00 0.00 H new ATOM 0 HD2 TYR B 592 9.959 -8.165 6.838 1.00 0.00 H new ATOM 0 HE1 TYR B 592 5.438 -8.206 4.902 1.00 0.00 H new ATOM 0 HE2 TYR B 592 9.230 -10.072 5.473 1.00 0.00 H new ATOM 0 HH TYR B 592 7.607 -10.973 4.271 1.00 0.00 H new ATOM 175 N LEU B 593 7.024 -4.678 4.961 1.00 0.00 N ATOM 176 CA LEU B 593 6.528 -4.852 3.605 1.00 0.00 C ATOM 177 C LEU B 593 6.790 -3.596 2.787 1.00 0.00 C ATOM 178 O LEU B 593 6.762 -3.620 1.557 1.00 0.00 O ATOM 179 CB LEU B 593 5.040 -5.241 3.610 1.00 0.00 C ATOM 180 CG LEU B 593 4.026 -4.121 3.346 1.00 0.00 C ATOM 181 CD1 LEU B 593 4.260 -2.960 4.288 1.00 0.00 C ATOM 182 CD2 LEU B 593 4.065 -3.668 1.894 1.00 0.00 C ATOM 0 H LEU B 593 6.308 -4.457 5.653 1.00 0.00 H new ATOM 0 HA LEU B 593 7.067 -5.673 3.133 1.00 0.00 H new ATOM 0 HB2 LEU B 593 4.890 -6.017 2.859 1.00 0.00 H new ATOM 0 HB3 LEU B 593 4.809 -5.685 4.578 1.00 0.00 H new ATOM 0 HG LEU B 593 3.029 -4.518 3.535 1.00 0.00 H new ATOM 0 HD11 LEU B 593 3.531 -2.175 4.086 1.00 0.00 H new ATOM 0 HD12 LEU B 593 4.151 -3.300 5.318 1.00 0.00 H new ATOM 0 HD13 LEU B 593 5.266 -2.568 4.139 1.00 0.00 H new ATOM 0 HD21 LEU B 593 3.334 -2.874 1.741 1.00 0.00 H new ATOM 0 HD22 LEU B 593 5.061 -3.296 1.656 1.00 0.00 H new ATOM 0 HD23 LEU B 593 3.827 -4.510 1.244 1.00 0.00 H new ATOM 194 N GLU B 594 7.048 -2.495 3.478 1.00 0.00 N ATOM 195 CA GLU B 594 7.320 -1.236 2.817 1.00 0.00 C ATOM 196 C GLU B 594 8.574 -1.338 1.949 1.00 0.00 C ATOM 197 O GLU B 594 8.691 -0.662 0.927 1.00 0.00 O ATOM 198 CB GLU B 594 7.467 -0.119 3.862 1.00 0.00 C ATOM 199 CG GLU B 594 8.898 0.348 4.092 1.00 0.00 C ATOM 200 CD GLU B 594 8.994 1.442 5.137 1.00 0.00 C ATOM 201 OE1 GLU B 594 8.028 1.611 5.910 1.00 0.00 O ATOM 202 OE2 GLU B 594 10.037 2.129 5.184 1.00 0.00 O ATOM 0 H GLU B 594 7.074 -2.453 4.497 1.00 0.00 H new ATOM 0 HA GLU B 594 6.482 -0.995 2.163 1.00 0.00 H new ATOM 0 HB2 GLU B 594 6.866 0.735 3.549 1.00 0.00 H new ATOM 0 HB3 GLU B 594 7.056 -0.469 4.809 1.00 0.00 H new ATOM 0 HG2 GLU B 594 9.508 -0.501 4.403 1.00 0.00 H new ATOM 0 HG3 GLU B 594 9.313 0.711 3.152 1.00 0.00 H new ATOM 209 N GLU B 595 9.513 -2.175 2.378 1.00 0.00 N ATOM 210 CA GLU B 595 10.772 -2.355 1.659 1.00 0.00 C ATOM 211 C GLU B 595 10.643 -3.333 0.498 1.00 0.00 C ATOM 212 O GLU B 595 11.100 -3.053 -0.610 1.00 0.00 O ATOM 213 CB GLU B 595 11.875 -2.807 2.618 1.00 0.00 C ATOM 214 CG GLU B 595 11.500 -4.001 3.481 1.00 0.00 C ATOM 215 CD GLU B 595 12.687 -4.578 4.225 1.00 0.00 C ATOM 216 OE1 GLU B 595 13.608 -5.097 3.560 1.00 0.00 O ATOM 217 OE2 GLU B 595 12.697 -4.510 5.472 1.00 0.00 O ATOM 0 H GLU B 595 9.427 -2.741 3.222 1.00 0.00 H new ATOM 0 HA GLU B 595 11.040 -1.387 1.235 1.00 0.00 H new ATOM 0 HB2 GLU B 595 12.764 -3.056 2.039 1.00 0.00 H new ATOM 0 HB3 GLU B 595 12.141 -1.973 3.267 1.00 0.00 H new ATOM 0 HG2 GLU B 595 10.737 -3.700 4.199 1.00 0.00 H new ATOM 0 HG3 GLU B 595 11.059 -4.775 2.852 1.00 0.00 H new ATOM 224 N ILE B 596 10.023 -4.475 0.748 1.00 0.00 N ATOM 225 CA ILE B 596 9.846 -5.486 -0.300 1.00 0.00 C ATOM 226 C ILE B 596 9.225 -4.881 -1.549 1.00 0.00 C ATOM 227 O ILE B 596 9.430 -5.370 -2.660 1.00 0.00 O ATOM 228 CB ILE B 596 8.982 -6.678 0.162 1.00 0.00 C ATOM 229 CG1 ILE B 596 7.730 -6.195 0.885 1.00 0.00 C ATOM 230 CG2 ILE B 596 9.782 -7.604 1.059 1.00 0.00 C ATOM 231 CD1 ILE B 596 6.534 -6.033 -0.024 1.00 0.00 C ATOM 0 H ILE B 596 9.635 -4.730 1.656 1.00 0.00 H new ATOM 0 HA ILE B 596 10.846 -5.857 -0.527 1.00 0.00 H new ATOM 0 HB ILE B 596 8.674 -7.232 -0.725 1.00 0.00 H new ATOM 0 HG12 ILE B 596 7.482 -6.902 1.677 1.00 0.00 H new ATOM 0 HG13 ILE B 596 7.943 -5.240 1.366 1.00 0.00 H new ATOM 0 HG21 ILE B 596 9.154 -8.438 1.374 1.00 0.00 H new ATOM 0 HG22 ILE B 596 10.644 -7.985 0.512 1.00 0.00 H new ATOM 0 HG23 ILE B 596 10.123 -7.055 1.937 1.00 0.00 H new ATOM 0 HD11 ILE B 596 5.679 -5.687 0.557 1.00 0.00 H new ATOM 0 HD12 ILE B 596 6.764 -5.304 -0.801 1.00 0.00 H new ATOM 0 HD13 ILE B 596 6.295 -6.991 -0.485 1.00 0.00 H new ATOM 243 N LEU B 597 8.471 -3.813 -1.355 1.00 0.00 N ATOM 244 CA LEU B 597 7.819 -3.125 -2.455 1.00 0.00 C ATOM 245 C LEU B 597 8.823 -2.434 -3.350 1.00 0.00 C ATOM 246 O LEU B 597 9.210 -2.946 -4.400 1.00 0.00 O ATOM 247 CB LEU B 597 6.835 -2.091 -1.912 1.00 0.00 C ATOM 248 CG LEU B 597 6.426 -0.998 -2.909 1.00 0.00 C ATOM 249 CD1 LEU B 597 5.656 -1.595 -4.074 1.00 0.00 C ATOM 250 CD2 LEU B 597 5.604 0.075 -2.216 1.00 0.00 C ATOM 0 H LEU B 597 8.295 -3.401 -0.439 1.00 0.00 H new ATOM 0 HA LEU B 597 7.288 -3.872 -3.045 1.00 0.00 H new ATOM 0 HB2 LEU B 597 5.937 -2.608 -1.575 1.00 0.00 H new ATOM 0 HB3 LEU B 597 7.277 -1.616 -1.036 1.00 0.00 H new ATOM 0 HG LEU B 597 7.332 -0.536 -3.301 1.00 0.00 H new ATOM 0 HD11 LEU B 597 5.376 -0.803 -4.769 1.00 0.00 H new ATOM 0 HD12 LEU B 597 6.282 -2.324 -4.588 1.00 0.00 H new ATOM 0 HD13 LEU B 597 4.757 -2.087 -3.702 1.00 0.00 H new ATOM 0 HD21 LEU B 597 5.323 0.841 -2.938 1.00 0.00 H new ATOM 0 HD22 LEU B 597 4.704 -0.372 -1.793 1.00 0.00 H new ATOM 0 HD23 LEU B 597 6.194 0.527 -1.419 1.00 0.00 H new ATOM 262 N VAL B 598 9.206 -1.247 -2.929 1.00 0.00 N ATOM 263 CA VAL B 598 10.127 -0.435 -3.675 1.00 0.00 C ATOM 264 C VAL B 598 11.089 0.272 -2.738 1.00 0.00 C ATOM 265 O VAL B 598 11.559 1.375 -3.019 1.00 0.00 O ATOM 266 CB VAL B 598 9.367 0.607 -4.516 1.00 0.00 C ATOM 267 CG1 VAL B 598 8.424 -0.066 -5.504 1.00 0.00 C ATOM 268 CG2 VAL B 598 8.598 1.555 -3.609 1.00 0.00 C ATOM 0 H VAL B 598 8.884 -0.823 -2.059 1.00 0.00 H new ATOM 0 HA VAL B 598 10.692 -1.087 -4.341 1.00 0.00 H new ATOM 0 HB VAL B 598 10.097 1.180 -5.087 1.00 0.00 H new ATOM 0 HG11 VAL B 598 7.901 0.695 -6.084 1.00 0.00 H new ATOM 0 HG12 VAL B 598 8.997 -0.705 -6.176 1.00 0.00 H new ATOM 0 HG13 VAL B 598 7.698 -0.670 -4.960 1.00 0.00 H new ATOM 0 HG21 VAL B 598 8.065 2.287 -4.216 1.00 0.00 H new ATOM 0 HG22 VAL B 598 7.883 0.988 -3.013 1.00 0.00 H new ATOM 0 HG23 VAL B 598 9.294 2.070 -2.947 1.00 0.00 H new ATOM 367 N VAL A 454 -8.233 -6.351 -1.966 1.00 0.00 N ATOM 368 CA VAL A 454 -7.066 -5.640 -2.464 1.00 0.00 C ATOM 369 C VAL A 454 -6.465 -6.363 -3.654 1.00 0.00 C ATOM 370 O VAL A 454 -6.001 -7.497 -3.538 1.00 0.00 O ATOM 371 CB VAL A 454 -6.006 -5.466 -1.358 1.00 0.00 C ATOM 372 CG1 VAL A 454 -4.614 -5.234 -1.937 1.00 0.00 C ATOM 373 CG2 VAL A 454 -6.411 -4.320 -0.457 1.00 0.00 C ATOM 0 HA VAL A 454 -7.393 -4.650 -2.783 1.00 0.00 H new ATOM 0 HB VAL A 454 -5.957 -6.388 -0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -3.897 -5.116 -1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -4.329 -6.088 -2.552 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -4.620 -4.332 -2.549 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -5.665 -4.192 0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -6.482 -3.404 -1.043 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -7.379 -4.537 -0.005 1.00 0.00 H new ATOM 383 N THR A 455 -6.493 -5.707 -4.804 1.00 0.00 N ATOM 384 CA THR A 455 -5.967 -6.301 -6.015 1.00 0.00 C ATOM 385 C THR A 455 -5.043 -5.371 -6.765 1.00 0.00 C ATOM 386 O THR A 455 -5.087 -4.151 -6.604 1.00 0.00 O ATOM 387 CB THR A 455 -7.110 -6.719 -6.920 1.00 0.00 C ATOM 388 OG1 THR A 455 -8.017 -5.647 -7.111 1.00 0.00 O ATOM 389 CG2 THR A 455 -7.881 -7.881 -6.348 1.00 0.00 C ATOM 0 H THR A 455 -6.873 -4.768 -4.920 1.00 0.00 H new ATOM 0 HA THR A 455 -5.381 -7.171 -5.717 1.00 0.00 H new ATOM 0 HB THR A 455 -6.661 -7.013 -7.869 1.00 0.00 H new ATOM 0 HG1 THR A 455 -8.746 -5.936 -7.699 1.00 0.00 H new ATOM 0 HG21 THR A 455 -8.691 -8.150 -7.026 1.00 0.00 H new ATOM 0 HG22 THR A 455 -7.214 -8.734 -6.223 1.00 0.00 H new ATOM 0 HG23 THR A 455 -8.296 -7.601 -5.380 1.00 0.00 H new ATOM 397 N GLU A 456 -4.226 -5.972 -7.610 1.00 0.00 N ATOM 398 CA GLU A 456 -3.289 -5.247 -8.435 1.00 0.00 C ATOM 399 C GLU A 456 -4.008 -4.187 -9.251 1.00 0.00 C ATOM 400 O GLU A 456 -3.663 -3.008 -9.208 1.00 0.00 O ATOM 401 CB GLU A 456 -2.598 -6.232 -9.367 1.00 0.00 C ATOM 402 CG GLU A 456 -1.336 -6.848 -8.784 1.00 0.00 C ATOM 403 CD GLU A 456 -0.570 -7.668 -9.805 1.00 0.00 C ATOM 404 OE1 GLU A 456 -0.199 -7.109 -10.859 1.00 0.00 O ATOM 405 OE2 GLU A 456 -0.340 -8.869 -9.549 1.00 0.00 O ATOM 0 H GLU A 456 -4.197 -6.983 -7.741 1.00 0.00 H new ATOM 0 HA GLU A 456 -2.555 -4.751 -7.800 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -3.297 -7.029 -9.620 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -2.346 -5.722 -10.297 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -0.692 -6.057 -8.400 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -1.601 -7.482 -7.938 1.00 0.00 H new ATOM 412 N ASP A 457 -5.013 -4.628 -9.993 1.00 0.00 N ATOM 413 CA ASP A 457 -5.799 -3.735 -10.839 1.00 0.00 C ATOM 414 C ASP A 457 -6.371 -2.561 -10.051 1.00 0.00 C ATOM 415 O ASP A 457 -6.606 -1.485 -10.602 1.00 0.00 O ATOM 416 CB ASP A 457 -6.928 -4.510 -11.514 1.00 0.00 C ATOM 417 CG ASP A 457 -6.808 -4.512 -13.026 1.00 0.00 C ATOM 418 OD1 ASP A 457 -6.225 -3.554 -13.576 1.00 0.00 O ATOM 419 OD2 ASP A 457 -7.297 -5.471 -13.659 1.00 0.00 O ATOM 0 H ASP A 457 -5.306 -5.604 -10.028 1.00 0.00 H new ATOM 0 HA ASP A 457 -5.130 -3.329 -11.598 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -6.926 -5.538 -11.151 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -7.885 -4.073 -11.229 1.00 0.00 H new ATOM 424 N ALA A 458 -6.605 -2.777 -8.766 1.00 0.00 N ATOM 425 CA ALA A 458 -7.161 -1.743 -7.905 1.00 0.00 C ATOM 426 C ALA A 458 -6.100 -0.752 -7.447 1.00 0.00 C ATOM 427 O ALA A 458 -6.386 0.426 -7.246 1.00 0.00 O ATOM 428 CB ALA A 458 -7.841 -2.370 -6.699 1.00 0.00 C ATOM 0 H ALA A 458 -6.418 -3.662 -8.294 1.00 0.00 H new ATOM 0 HA ALA A 458 -7.897 -1.193 -8.491 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -8.252 -1.585 -6.064 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -8.646 -3.024 -7.034 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -7.113 -2.951 -6.132 1.00 0.00 H new ATOM 434 N VAL A 459 -4.878 -1.233 -7.261 1.00 0.00 N ATOM 435 CA VAL A 459 -3.796 -0.377 -6.807 1.00 0.00 C ATOM 436 C VAL A 459 -3.284 0.517 -7.929 1.00 0.00 C ATOM 437 O VAL A 459 -2.929 1.670 -7.701 1.00 0.00 O ATOM 438 CB VAL A 459 -2.632 -1.188 -6.214 1.00 0.00 C ATOM 439 CG1 VAL A 459 -1.751 -0.300 -5.350 1.00 0.00 C ATOM 440 CG2 VAL A 459 -3.160 -2.361 -5.405 1.00 0.00 C ATOM 0 H VAL A 459 -4.614 -2.206 -7.417 1.00 0.00 H new ATOM 0 HA VAL A 459 -4.210 0.252 -6.019 1.00 0.00 H new ATOM 0 HB VAL A 459 -2.030 -1.578 -7.035 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -0.932 -0.890 -4.938 1.00 0.00 H new ATOM 0 HG12 VAL A 459 -1.345 0.510 -5.956 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -2.343 0.117 -4.535 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -2.323 -2.924 -4.992 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -3.784 -1.991 -4.592 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -3.752 -3.011 -6.050 1.00 0.00 H new ATOM 450 N ARG A 460 -3.264 -0.014 -9.142 1.00 0.00 N ATOM 451 CA ARG A 460 -2.809 0.756 -10.299 1.00 0.00 C ATOM 452 C ARG A 460 -3.643 2.024 -10.445 1.00 0.00 C ATOM 453 O ARG A 460 -3.122 3.089 -10.774 1.00 0.00 O ATOM 454 CB ARG A 460 -2.898 -0.079 -11.582 1.00 0.00 C ATOM 455 CG ARG A 460 -2.271 -1.462 -11.472 1.00 0.00 C ATOM 456 CD ARG A 460 -0.825 -1.398 -10.999 1.00 0.00 C ATOM 457 NE ARG A 460 0.111 -1.772 -12.056 1.00 0.00 N ATOM 458 CZ ARG A 460 0.279 -3.019 -12.492 1.00 0.00 C ATOM 459 NH1 ARG A 460 -0.424 -4.013 -11.964 1.00 0.00 N ATOM 460 NH2 ARG A 460 1.153 -3.271 -13.457 1.00 0.00 N ATOM 0 H ARG A 460 -3.555 -0.968 -9.354 1.00 0.00 H new ATOM 0 HA ARG A 460 -1.766 1.029 -10.138 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -3.947 -0.189 -11.858 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -2.410 0.465 -12.391 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -2.853 -2.069 -10.778 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -2.313 -1.957 -12.442 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -0.600 -0.388 -10.655 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -0.693 -2.062 -10.145 1.00 0.00 H new ATOM 0 HE ARG A 460 0.669 -1.034 -12.486 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -1.097 -3.823 -11.221 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -0.292 -4.967 -12.301 1.00 0.00 H new ATOM 0 HH21 ARG A 460 1.696 -2.510 -13.865 1.00 0.00 H new ATOM 0 HH22 ARG A 460 1.282 -4.226 -13.791 1.00 0.00 H new ATOM 474 N ARG A 461 -4.944 1.904 -10.181 1.00 0.00 N ATOM 475 CA ARG A 461 -5.851 3.040 -10.267 1.00 0.00 C ATOM 476 C ARG A 461 -5.582 4.027 -9.136 1.00 0.00 C ATOM 477 O ARG A 461 -5.792 5.231 -9.286 1.00 0.00 O ATOM 478 CB ARG A 461 -7.307 2.563 -10.243 1.00 0.00 C ATOM 479 CG ARG A 461 -7.747 2.042 -8.893 1.00 0.00 C ATOM 480 CD ARG A 461 -9.111 2.575 -8.494 1.00 0.00 C ATOM 481 NE ARG A 461 -10.075 1.501 -8.271 1.00 0.00 N ATOM 482 CZ ARG A 461 -10.601 0.762 -9.246 1.00 0.00 C ATOM 483 NH1 ARG A 461 -10.259 0.979 -10.510 1.00 0.00 N ATOM 484 NH2 ARG A 461 -11.471 -0.195 -8.956 1.00 0.00 N ATOM 0 H ARG A 461 -5.390 1.029 -9.906 1.00 0.00 H new ATOM 0 HA ARG A 461 -5.676 3.554 -11.212 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -7.957 3.388 -10.535 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -7.436 1.777 -10.987 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -7.776 0.953 -8.917 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -7.013 2.324 -8.139 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -9.016 3.171 -7.586 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -9.483 3.240 -9.274 1.00 0.00 H new ATOM 0 HE ARG A 461 -10.362 1.305 -7.312 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -9.590 1.715 -10.738 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -10.665 0.410 -11.253 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -11.737 -0.365 -7.986 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -11.874 -0.761 -9.703 1.00 0.00 H new ATOM 498 N TYR A 462 -5.098 3.512 -8.008 1.00 0.00 N ATOM 499 CA TYR A 462 -4.782 4.352 -6.860 1.00 0.00 C ATOM 500 C TYR A 462 -3.642 5.298 -7.211 1.00 0.00 C ATOM 501 O TYR A 462 -3.631 6.459 -6.805 1.00 0.00 O ATOM 502 CB TYR A 462 -4.376 3.491 -5.657 1.00 0.00 C ATOM 503 CG TYR A 462 -5.535 2.866 -4.908 1.00 0.00 C ATOM 504 CD1 TYR A 462 -6.820 2.851 -5.438 1.00 0.00 C ATOM 505 CD2 TYR A 462 -5.336 2.286 -3.660 1.00 0.00 C ATOM 506 CE1 TYR A 462 -7.871 2.279 -4.748 1.00 0.00 C ATOM 507 CE2 TYR A 462 -6.381 1.712 -2.964 1.00 0.00 C ATOM 508 CZ TYR A 462 -7.647 1.711 -3.512 1.00 0.00 C ATOM 509 OH TYR A 462 -8.692 1.142 -2.821 1.00 0.00 O ATOM 0 H TYR A 462 -4.917 2.518 -7.866 1.00 0.00 H new ATOM 0 HA TYR A 462 -5.670 4.928 -6.599 1.00 0.00 H new ATOM 0 HB2 TYR A 462 -3.714 2.697 -6.002 1.00 0.00 H new ATOM 0 HB3 TYR A 462 -3.802 4.106 -4.964 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -7.000 3.294 -6.406 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -4.346 2.285 -3.227 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -8.863 2.277 -5.175 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -6.208 1.266 -1.996 1.00 0.00 H new ATOM 0 HH TYR A 462 -8.350 0.434 -2.236 1.00 0.00 H new ATOM 519 N LEU A 463 -2.680 4.780 -7.966 1.00 0.00 N ATOM 520 CA LEU A 463 -1.520 5.549 -8.381 1.00 0.00 C ATOM 521 C LEU A 463 -1.884 6.551 -9.467 1.00 0.00 C ATOM 522 O LEU A 463 -1.696 7.756 -9.300 1.00 0.00 O ATOM 523 CB LEU A 463 -0.430 4.609 -8.889 1.00 0.00 C ATOM 524 CG LEU A 463 -0.451 3.190 -8.309 1.00 0.00 C ATOM 525 CD1 LEU A 463 0.813 2.441 -8.693 1.00 0.00 C ATOM 526 CD2 LEU A 463 -0.609 3.224 -6.793 1.00 0.00 C ATOM 0 H LEU A 463 -2.685 3.818 -8.305 1.00 0.00 H new ATOM 0 HA LEU A 463 -1.152 6.102 -7.517 1.00 0.00 H new ATOM 0 HB2 LEU A 463 -0.513 4.539 -9.974 1.00 0.00 H new ATOM 0 HB3 LEU A 463 0.540 5.056 -8.671 1.00 0.00 H new ATOM 0 HG LEU A 463 -1.309 2.665 -8.729 1.00 0.00 H new ATOM 0 HD11 LEU A 463 0.782 1.436 -8.273 1.00 0.00 H new ATOM 0 HD12 LEU A 463 0.883 2.379 -9.779 1.00 0.00 H new ATOM 0 HD13 LEU A 463 1.682 2.970 -8.303 1.00 0.00 H new ATOM 0 HD21 LEU A 463 -0.621 2.205 -6.406 1.00 0.00 H new ATOM 0 HD22 LEU A 463 0.225 3.770 -6.352 1.00 0.00 H new ATOM 0 HD23 LEU A 463 -1.544 3.721 -6.536 1.00 0.00 H new ATOM 538 N THR A 464 -2.415 6.049 -10.581 1.00 0.00 N ATOM 539 CA THR A 464 -2.811 6.906 -11.689 1.00 0.00 C ATOM 540 C THR A 464 -3.636 8.083 -11.184 1.00 0.00 C ATOM 541 O THR A 464 -3.646 9.157 -11.784 1.00 0.00 O ATOM 542 CB THR A 464 -3.611 6.107 -12.721 1.00 0.00 C ATOM 543 OG1 THR A 464 -4.062 4.884 -12.168 1.00 0.00 O ATOM 544 CG2 THR A 464 -2.821 5.783 -13.970 1.00 0.00 C ATOM 0 H THR A 464 -2.579 5.054 -10.737 1.00 0.00 H new ATOM 0 HA THR A 464 -1.909 7.291 -12.165 1.00 0.00 H new ATOM 0 HB THR A 464 -4.448 6.748 -12.997 1.00 0.00 H new ATOM 0 HG1 THR A 464 -3.319 4.246 -12.136 1.00 0.00 H new ATOM 0 HG21 THR A 464 -3.447 5.216 -14.659 1.00 0.00 H new ATOM 0 HG22 THR A 464 -2.501 6.709 -14.448 1.00 0.00 H new ATOM 0 HG23 THR A 464 -1.946 5.191 -13.703 1.00 0.00 H new ATOM 552 N ARG A 465 -4.319 7.866 -10.068 1.00 0.00 N ATOM 553 CA ARG A 465 -5.141 8.895 -9.466 1.00 0.00 C ATOM 554 C ARG A 465 -4.316 9.761 -8.515 1.00 0.00 C ATOM 555 O ARG A 465 -4.353 10.989 -8.592 1.00 0.00 O ATOM 556 CB ARG A 465 -6.317 8.268 -8.716 1.00 0.00 C ATOM 557 CG ARG A 465 -7.562 8.092 -9.572 1.00 0.00 C ATOM 558 CD ARG A 465 -8.604 7.235 -8.873 1.00 0.00 C ATOM 559 NE ARG A 465 -9.962 7.709 -9.126 1.00 0.00 N ATOM 560 CZ ARG A 465 -10.514 8.748 -8.502 1.00 0.00 C ATOM 561 NH1 ARG A 465 -9.828 9.423 -7.587 1.00 0.00 N ATOM 562 NH2 ARG A 465 -11.756 9.113 -8.794 1.00 0.00 N ATOM 0 H ARG A 465 -4.317 6.980 -9.563 1.00 0.00 H new ATOM 0 HA ARG A 465 -5.528 9.529 -10.264 1.00 0.00 H new ATOM 0 HB2 ARG A 465 -6.013 7.296 -8.328 1.00 0.00 H new ATOM 0 HB3 ARG A 465 -6.563 8.892 -7.856 1.00 0.00 H new ATOM 0 HG2 ARG A 465 -7.988 9.069 -9.801 1.00 0.00 H new ATOM 0 HG3 ARG A 465 -7.289 7.632 -10.522 1.00 0.00 H new ATOM 0 HD2 ARG A 465 -8.511 6.203 -9.212 1.00 0.00 H new ATOM 0 HD3 ARG A 465 -8.414 7.236 -7.800 1.00 0.00 H new ATOM 0 HE ARG A 465 -10.521 7.215 -9.822 1.00 0.00 H new ATOM 0 HH11 ARG A 465 -8.873 9.147 -7.359 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -10.256 10.218 -7.112 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -12.287 8.598 -9.496 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -12.179 9.909 -8.316 1.00 0.00 H new ATOM 576 N LYS A 466 -3.571 9.113 -7.620 1.00 0.00 N ATOM 577 CA LYS A 466 -2.740 9.824 -6.658 1.00 0.00 C ATOM 578 C LYS A 466 -1.794 8.864 -5.929 1.00 0.00 C ATOM 579 O LYS A 466 -2.236 7.870 -5.353 1.00 0.00 O ATOM 580 CB LYS A 466 -3.622 10.561 -5.658 1.00 0.00 C ATOM 581 CG LYS A 466 -2.867 11.171 -4.488 1.00 0.00 C ATOM 582 CD LYS A 466 -2.319 12.550 -4.831 1.00 0.00 C ATOM 583 CE LYS A 466 -0.826 12.648 -4.557 1.00 0.00 C ATOM 584 NZ LYS A 466 -0.514 13.705 -3.555 1.00 0.00 N ATOM 0 H LYS A 466 -3.528 8.097 -7.544 1.00 0.00 H new ATOM 0 HA LYS A 466 -2.130 10.547 -7.199 1.00 0.00 H new ATOM 0 HB2 LYS A 466 -4.160 11.352 -6.180 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -4.370 9.868 -5.271 1.00 0.00 H new ATOM 0 HG2 LYS A 466 -3.530 11.247 -3.626 1.00 0.00 H new ATOM 0 HG3 LYS A 466 -2.046 10.514 -4.202 1.00 0.00 H new ATOM 0 HD2 LYS A 466 -2.511 12.766 -5.882 1.00 0.00 H new ATOM 0 HD3 LYS A 466 -2.846 13.306 -4.249 1.00 0.00 H new ATOM 0 HE2 LYS A 466 -0.459 11.687 -4.197 1.00 0.00 H new ATOM 0 HE3 LYS A 466 -0.299 12.862 -5.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 0.506 13.906 -3.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 -1.040 14.571 -3.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 -0.790 13.377 -2.607 1.00 0.00 H new ATOM 598 N PRO A 467 -0.476 9.147 -5.944 1.00 0.00 N ATOM 599 CA PRO A 467 0.525 8.299 -5.285 1.00 0.00 C ATOM 600 C PRO A 467 0.189 8.010 -3.825 1.00 0.00 C ATOM 601 O PRO A 467 -0.579 8.739 -3.196 1.00 0.00 O ATOM 602 CB PRO A 467 1.830 9.101 -5.400 1.00 0.00 C ATOM 603 CG PRO A 467 1.422 10.470 -5.836 1.00 0.00 C ATOM 604 CD PRO A 467 0.147 10.301 -6.605 1.00 0.00 C ATOM 0 HA PRO A 467 0.582 7.316 -5.753 1.00 0.00 H new ATOM 0 HB2 PRO A 467 2.356 9.134 -4.446 1.00 0.00 H new ATOM 0 HB3 PRO A 467 2.508 8.645 -6.122 1.00 0.00 H new ATOM 0 HG2 PRO A 467 1.275 11.124 -4.977 1.00 0.00 H new ATOM 0 HG3 PRO A 467 2.193 10.927 -6.456 1.00 0.00 H new ATOM 0 HD2 PRO A 467 -0.482 11.189 -6.547 1.00 0.00 H new ATOM 0 HD3 PRO A 467 0.333 10.111 -7.662 1.00 0.00 H new ATOM 612 N MET A 468 0.764 6.930 -3.293 1.00 0.00 N ATOM 613 CA MET A 468 0.520 6.533 -1.908 1.00 0.00 C ATOM 614 C MET A 468 1.707 5.790 -1.311 1.00 0.00 C ATOM 615 O MET A 468 2.606 5.340 -2.021 1.00 0.00 O ATOM 616 CB MET A 468 -0.712 5.616 -1.813 1.00 0.00 C ATOM 617 CG MET A 468 -0.427 4.164 -2.180 1.00 0.00 C ATOM 618 SD MET A 468 0.260 3.985 -3.839 1.00 0.00 S ATOM 619 CE MET A 468 1.513 2.732 -3.567 1.00 0.00 C ATOM 0 H MET A 468 1.401 6.316 -3.801 1.00 0.00 H new ATOM 0 HA MET A 468 0.354 7.454 -1.348 1.00 0.00 H new ATOM 0 HB2 MET A 468 -1.104 5.654 -0.797 1.00 0.00 H new ATOM 0 HB3 MET A 468 -1.492 6.001 -2.470 1.00 0.00 H new ATOM 0 HG2 MET A 468 0.269 3.741 -1.456 1.00 0.00 H new ATOM 0 HG3 MET A 468 -1.350 3.588 -2.110 1.00 0.00 H new ATOM 0 HE1 MET A 468 2.364 2.921 -4.221 1.00 0.00 H new ATOM 0 HE2 MET A 468 1.840 2.764 -2.528 1.00 0.00 H new ATOM 0 HE3 MET A 468 1.098 1.748 -3.787 1.00 0.00 H new ATOM 629 N THR A 469 1.650 5.614 0.002 1.00 0.00 N ATOM 630 CA THR A 469 2.660 4.866 0.728 1.00 0.00 C ATOM 631 C THR A 469 2.089 3.478 0.996 1.00 0.00 C ATOM 632 O THR A 469 0.931 3.223 0.666 1.00 0.00 O ATOM 633 CB THR A 469 3.019 5.557 2.051 1.00 0.00 C ATOM 634 OG1 THR A 469 2.111 5.188 3.075 1.00 0.00 O ATOM 635 CG2 THR A 469 3.024 7.070 1.968 1.00 0.00 C ATOM 0 H THR A 469 0.904 5.985 0.590 1.00 0.00 H new ATOM 0 HA THR A 469 3.576 4.806 0.140 1.00 0.00 H new ATOM 0 HB THR A 469 4.031 5.222 2.277 1.00 0.00 H new ATOM 0 HG1 THR A 469 2.258 5.754 3.862 1.00 0.00 H new ATOM 0 HG21 THR A 469 3.286 7.487 2.940 1.00 0.00 H new ATOM 0 HG22 THR A 469 3.755 7.391 1.226 1.00 0.00 H new ATOM 0 HG23 THR A 469 2.034 7.422 1.678 1.00 0.00 H new ATOM 643 N THR A 470 2.862 2.581 1.588 1.00 0.00 N ATOM 644 CA THR A 470 2.342 1.246 1.865 1.00 0.00 C ATOM 645 C THR A 470 1.313 1.294 2.979 1.00 0.00 C ATOM 646 O THR A 470 0.267 0.652 2.899 1.00 0.00 O ATOM 647 CB THR A 470 3.466 0.269 2.205 1.00 0.00 C ATOM 648 OG1 THR A 470 4.640 0.961 2.589 1.00 0.00 O ATOM 649 CG2 THR A 470 3.816 -0.636 1.046 1.00 0.00 C ATOM 0 H THR A 470 3.826 2.743 1.880 1.00 0.00 H new ATOM 0 HA THR A 470 1.854 0.884 0.960 1.00 0.00 H new ATOM 0 HB THR A 470 3.093 -0.339 3.029 1.00 0.00 H new ATOM 0 HG1 THR A 470 4.823 0.794 3.537 1.00 0.00 H new ATOM 0 HG21 THR A 470 4.620 -1.310 1.341 1.00 0.00 H new ATOM 0 HG22 THR A 470 2.940 -1.219 0.762 1.00 0.00 H new ATOM 0 HG23 THR A 470 4.141 -0.033 0.198 1.00 0.00 H new ATOM 657 N LYS A 471 1.604 2.080 3.998 1.00 0.00 N ATOM 658 CA LYS A 471 0.689 2.239 5.119 1.00 0.00 C ATOM 659 C LYS A 471 -0.595 2.901 4.642 1.00 0.00 C ATOM 660 O LYS A 471 -1.698 2.428 4.915 1.00 0.00 O ATOM 661 CB LYS A 471 1.331 3.088 6.219 1.00 0.00 C ATOM 662 CG LYS A 471 2.782 2.736 6.499 1.00 0.00 C ATOM 663 CD LYS A 471 3.732 3.688 5.793 1.00 0.00 C ATOM 664 CE LYS A 471 5.002 2.981 5.346 1.00 0.00 C ATOM 665 NZ LYS A 471 5.360 3.315 3.940 1.00 0.00 N ATOM 0 H LYS A 471 2.466 2.620 4.075 1.00 0.00 H new ATOM 0 HA LYS A 471 0.461 1.254 5.527 1.00 0.00 H new ATOM 0 HB2 LYS A 471 1.270 4.139 5.936 1.00 0.00 H new ATOM 0 HB3 LYS A 471 0.755 2.972 7.137 1.00 0.00 H new ATOM 0 HG2 LYS A 471 2.965 2.768 7.573 1.00 0.00 H new ATOM 0 HG3 LYS A 471 2.979 1.715 6.173 1.00 0.00 H new ATOM 0 HD2 LYS A 471 3.234 4.125 4.927 1.00 0.00 H new ATOM 0 HD3 LYS A 471 3.988 4.510 6.462 1.00 0.00 H new ATOM 0 HE2 LYS A 471 5.824 3.260 6.006 1.00 0.00 H new ATOM 0 HE3 LYS A 471 4.869 1.903 5.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 6.394 3.386 3.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 5.010 2.569 3.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 4.927 4.224 3.678 1.00 0.00 H new ATOM 679 N ASP A 472 -0.432 4.001 3.919 1.00 0.00 N ATOM 680 CA ASP A 472 -1.562 4.749 3.385 1.00 0.00 C ATOM 681 C ASP A 472 -2.416 3.880 2.467 1.00 0.00 C ATOM 682 O ASP A 472 -3.643 3.963 2.494 1.00 0.00 O ATOM 683 CB ASP A 472 -1.067 5.981 2.628 1.00 0.00 C ATOM 684 CG ASP A 472 -2.205 6.819 2.075 1.00 0.00 C ATOM 685 OD1 ASP A 472 -2.745 6.457 1.010 1.00 0.00 O ATOM 686 OD2 ASP A 472 -2.554 7.836 2.710 1.00 0.00 O ATOM 0 H ASP A 472 0.479 4.397 3.688 1.00 0.00 H new ATOM 0 HA ASP A 472 -2.182 5.067 4.223 1.00 0.00 H new ATOM 0 HB2 ASP A 472 -0.460 6.593 3.295 1.00 0.00 H new ATOM 0 HB3 ASP A 472 -0.421 5.665 1.809 1.00 0.00 H new ATOM 691 N LEU A 473 -1.768 3.050 1.651 1.00 0.00 N ATOM 692 CA LEU A 473 -2.492 2.184 0.729 1.00 0.00 C ATOM 693 C LEU A 473 -3.386 1.204 1.482 1.00 0.00 C ATOM 694 O LEU A 473 -4.521 0.942 1.082 1.00 0.00 O ATOM 695 CB LEU A 473 -1.523 1.432 -0.173 1.00 0.00 C ATOM 696 CG LEU A 473 -2.000 1.242 -1.613 1.00 0.00 C ATOM 697 CD1 LEU A 473 -0.830 0.906 -2.522 1.00 0.00 C ATOM 698 CD2 LEU A 473 -3.063 0.154 -1.680 1.00 0.00 C ATOM 0 H LEU A 473 -0.753 2.961 1.611 1.00 0.00 H new ATOM 0 HA LEU A 473 -3.128 2.815 0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 473 -0.573 1.967 -0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.330 0.452 0.263 1.00 0.00 H new ATOM 0 HG LEU A 473 -2.442 2.177 -1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 473 -1.189 0.774 -3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 473 -0.103 1.718 -2.495 1.00 0.00 H new ATOM 0 HD13 LEU A 473 -0.358 -0.016 -2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 473 -3.393 0.030 -2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -2.646 -0.785 -1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 473 -3.913 0.437 -1.059 1.00 0.00 H new ATOM 710 N LEU A 474 -2.862 0.662 2.569 1.00 0.00 N ATOM 711 CA LEU A 474 -3.609 -0.296 3.385 1.00 0.00 C ATOM 712 C LEU A 474 -4.523 0.393 4.398 1.00 0.00 C ATOM 713 O LEU A 474 -5.519 -0.185 4.832 1.00 0.00 O ATOM 714 CB LEU A 474 -2.682 -1.263 4.126 1.00 0.00 C ATOM 715 CG LEU A 474 -1.486 -0.617 4.811 1.00 0.00 C ATOM 716 CD1 LEU A 474 -1.754 -0.431 6.297 1.00 0.00 C ATOM 717 CD2 LEU A 474 -0.230 -1.446 4.588 1.00 0.00 C ATOM 0 H LEU A 474 -1.923 0.865 2.911 1.00 0.00 H new ATOM 0 HA LEU A 474 -4.225 -0.859 2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 474 -3.265 -1.797 4.876 1.00 0.00 H new ATOM 0 HB3 LEU A 474 -2.317 -2.006 3.417 1.00 0.00 H new ATOM 0 HG LEU A 474 -1.328 0.367 4.369 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -0.887 0.032 6.768 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -2.626 0.209 6.432 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -1.942 -1.401 6.757 1.00 0.00 H new ATOM 0 HD21 LEU A 474 0.614 -0.968 5.085 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -0.376 -2.445 4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 474 -0.028 -1.520 3.519 1.00 0.00 H new ATOM 729 N LYS A 475 -4.172 1.613 4.795 1.00 0.00 N ATOM 730 CA LYS A 475 -4.957 2.344 5.780 1.00 0.00 C ATOM 731 C LYS A 475 -6.425 2.467 5.371 1.00 0.00 C ATOM 732 O LYS A 475 -7.313 2.411 6.222 1.00 0.00 O ATOM 733 CB LYS A 475 -4.353 3.727 6.024 1.00 0.00 C ATOM 734 CG LYS A 475 -3.485 3.787 7.273 1.00 0.00 C ATOM 735 CD LYS A 475 -2.049 4.153 6.942 1.00 0.00 C ATOM 736 CE LYS A 475 -1.481 5.144 7.944 1.00 0.00 C ATOM 737 NZ LYS A 475 -1.869 6.545 7.623 1.00 0.00 N ATOM 0 H LYS A 475 -3.352 2.113 4.450 1.00 0.00 H new ATOM 0 HA LYS A 475 -4.926 1.773 6.708 1.00 0.00 H new ATOM 0 HB2 LYS A 475 -3.755 4.014 5.159 1.00 0.00 H new ATOM 0 HB3 LYS A 475 -5.157 4.458 6.112 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -3.896 4.520 7.967 1.00 0.00 H new ATOM 0 HG3 LYS A 475 -3.507 2.821 7.778 1.00 0.00 H new ATOM 0 HD2 LYS A 475 -1.436 3.252 6.933 1.00 0.00 H new ATOM 0 HD3 LYS A 475 -2.003 4.580 5.940 1.00 0.00 H new ATOM 0 HE2 LYS A 475 -1.833 4.890 8.944 1.00 0.00 H new ATOM 0 HE3 LYS A 475 -0.394 5.063 7.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 -1.461 7.189 8.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 -1.512 6.797 6.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 -2.905 6.630 7.635 1.00 0.00 H new ATOM 751 N LYS A 476 -6.685 2.635 4.077 1.00 0.00 N ATOM 752 CA LYS A 476 -8.062 2.761 3.607 1.00 0.00 C ATOM 753 C LYS A 476 -8.720 1.392 3.464 1.00 0.00 C ATOM 754 O LYS A 476 -9.861 1.204 3.882 1.00 0.00 O ATOM 755 CB LYS A 476 -8.132 3.526 2.282 1.00 0.00 C ATOM 756 CG LYS A 476 -7.664 2.723 1.083 1.00 0.00 C ATOM 757 CD LYS A 476 -6.871 3.578 0.128 1.00 0.00 C ATOM 758 CE LYS A 476 -5.403 3.374 0.372 1.00 0.00 C ATOM 759 NZ LYS A 476 -4.628 4.639 0.228 1.00 0.00 N ATOM 0 H LYS A 476 -5.975 2.686 3.347 1.00 0.00 H new ATOM 0 HA LYS A 476 -8.610 3.331 4.357 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -9.160 3.847 2.113 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -7.525 4.428 2.362 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -7.052 1.886 1.419 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -8.526 2.300 0.567 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -7.119 3.318 -0.901 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -7.130 4.628 0.263 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -5.255 2.971 1.374 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -5.019 2.633 -0.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -3.908 4.523 -0.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -5.272 5.413 -0.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -4.162 4.865 1.130 1.00 0.00 H new ATOM 773 N PHE A 477 -7.994 0.431 2.895 1.00 0.00 N ATOM 774 CA PHE A 477 -8.519 -0.912 2.732 1.00 0.00 C ATOM 775 C PHE A 477 -8.724 -1.554 4.092 1.00 0.00 C ATOM 776 O PHE A 477 -9.571 -2.431 4.264 1.00 0.00 O ATOM 777 CB PHE A 477 -7.551 -1.755 1.908 1.00 0.00 C ATOM 778 CG PHE A 477 -7.776 -1.661 0.430 1.00 0.00 C ATOM 779 CD1 PHE A 477 -8.971 -2.074 -0.133 1.00 0.00 C ATOM 780 CD2 PHE A 477 -6.786 -1.159 -0.395 1.00 0.00 C ATOM 781 CE1 PHE A 477 -9.174 -1.987 -1.497 1.00 0.00 C ATOM 782 CE2 PHE A 477 -6.982 -1.070 -1.757 1.00 0.00 C ATOM 783 CZ PHE A 477 -8.178 -1.485 -2.310 1.00 0.00 C ATOM 0 H PHE A 477 -7.046 0.562 2.543 1.00 0.00 H new ATOM 0 HA PHE A 477 -9.475 -0.856 2.212 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -6.531 -1.443 2.132 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -7.640 -2.797 2.214 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -9.752 -2.468 0.500 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -5.849 -0.833 0.032 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -10.110 -2.311 -1.926 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -6.201 -0.676 -2.391 1.00 0.00 H new ATOM 0 HZ PHE A 477 -8.333 -1.417 -3.377 1.00 0.00 H new ATOM 889 N LEU A 484 -10.110 -8.220 5.899 1.00 0.00 N ATOM 890 CA LEU A 484 -8.809 -8.805 6.135 1.00 0.00 C ATOM 891 C LEU A 484 -8.117 -8.142 7.315 1.00 0.00 C ATOM 892 O LEU A 484 -8.026 -6.917 7.390 1.00 0.00 O ATOM 893 CB LEU A 484 -7.939 -8.695 4.881 1.00 0.00 C ATOM 894 CG LEU A 484 -7.799 -9.991 4.080 1.00 0.00 C ATOM 895 CD1 LEU A 484 -9.089 -10.297 3.334 1.00 0.00 C ATOM 896 CD2 LEU A 484 -6.630 -9.894 3.112 1.00 0.00 C ATOM 0 HA LEU A 484 -8.952 -9.859 6.373 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -8.358 -7.927 4.231 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -6.945 -8.357 5.174 1.00 0.00 H new ATOM 0 HG LEU A 484 -7.602 -10.808 4.774 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -8.972 -11.222 2.769 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -9.905 -10.408 4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -9.316 -9.480 2.649 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -6.545 -10.824 2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -6.797 -9.067 2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -5.709 -9.721 3.669 1.00 0.00 H new ATOM 908 N SER A 485 -7.634 -8.969 8.234 1.00 0.00 N ATOM 909 CA SER A 485 -6.938 -8.489 9.428 1.00 0.00 C ATOM 910 C SER A 485 -6.027 -7.306 9.111 1.00 0.00 C ATOM 911 O SER A 485 -5.566 -7.150 7.981 1.00 0.00 O ATOM 912 CB SER A 485 -6.106 -9.614 10.031 1.00 0.00 C ATOM 913 OG SER A 485 -6.358 -9.750 11.419 1.00 0.00 O ATOM 0 H SER A 485 -7.711 -9.984 8.177 1.00 0.00 H new ATOM 0 HA SER A 485 -7.694 -8.159 10.140 1.00 0.00 H new ATOM 0 HB2 SER A 485 -6.335 -10.551 9.524 1.00 0.00 H new ATOM 0 HB3 SER A 485 -5.047 -9.414 9.869 1.00 0.00 H new ATOM 0 HG SER A 485 -5.813 -10.480 11.781 1.00 0.00 H new ATOM 919 N SER A 486 -5.759 -6.486 10.121 1.00 0.00 N ATOM 920 CA SER A 486 -4.888 -5.333 9.949 1.00 0.00 C ATOM 921 C SER A 486 -3.481 -5.780 9.567 1.00 0.00 C ATOM 922 O SER A 486 -2.697 -5.005 9.020 1.00 0.00 O ATOM 923 CB SER A 486 -4.844 -4.501 11.233 1.00 0.00 C ATOM 924 OG SER A 486 -4.891 -5.331 12.380 1.00 0.00 O ATOM 0 H SER A 486 -6.132 -6.599 11.064 1.00 0.00 H new ATOM 0 HA SER A 486 -5.290 -4.716 9.145 1.00 0.00 H new ATOM 0 HB2 SER A 486 -3.934 -3.902 11.251 1.00 0.00 H new ATOM 0 HB3 SER A 486 -5.683 -3.806 11.249 1.00 0.00 H new ATOM 0 HG SER A 486 -4.860 -4.776 13.187 1.00 0.00 H new ATOM 930 N GLU A 487 -3.169 -7.041 9.861 1.00 0.00 N ATOM 931 CA GLU A 487 -1.866 -7.603 9.553 1.00 0.00 C ATOM 932 C GLU A 487 -1.899 -8.344 8.225 1.00 0.00 C ATOM 933 O GLU A 487 -0.960 -8.269 7.432 1.00 0.00 O ATOM 934 CB GLU A 487 -1.408 -8.551 10.667 1.00 0.00 C ATOM 935 CG GLU A 487 -1.912 -8.165 12.050 1.00 0.00 C ATOM 936 CD GLU A 487 -1.093 -8.788 13.164 1.00 0.00 C ATOM 937 OE1 GLU A 487 -0.940 -10.029 13.164 1.00 0.00 O ATOM 938 OE2 GLU A 487 -0.605 -8.038 14.034 1.00 0.00 O ATOM 0 H GLU A 487 -3.809 -7.692 10.315 1.00 0.00 H new ATOM 0 HA GLU A 487 -1.156 -6.780 9.478 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -1.749 -9.560 10.435 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -0.318 -8.578 10.682 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -1.890 -7.080 12.151 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -2.952 -8.474 12.153 1.00 0.00 H new ATOM 945 N GLN A 488 -2.989 -9.060 7.993 1.00 0.00 N ATOM 946 CA GLN A 488 -3.159 -9.819 6.766 1.00 0.00 C ATOM 947 C GLN A 488 -3.342 -8.883 5.579 1.00 0.00 C ATOM 948 O GLN A 488 -2.739 -9.082 4.525 1.00 0.00 O ATOM 949 CB GLN A 488 -4.352 -10.767 6.884 1.00 0.00 C ATOM 950 CG GLN A 488 -3.960 -12.181 7.280 1.00 0.00 C ATOM 951 CD GLN A 488 -5.161 -13.090 7.457 1.00 0.00 C ATOM 952 OE1 GLN A 488 -5.577 -13.378 8.579 1.00 0.00 O ATOM 953 NE2 GLN A 488 -5.725 -13.548 6.344 1.00 0.00 N ATOM 0 H GLN A 488 -3.772 -9.130 8.643 1.00 0.00 H new ATOM 0 HA GLN A 488 -2.259 -10.412 6.603 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -5.050 -10.371 7.621 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -4.879 -10.797 5.930 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -3.302 -12.599 6.518 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -3.392 -12.150 8.210 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -5.347 -13.283 5.434 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -6.536 -14.164 6.399 1.00 0.00 H new ATOM 962 N THR A 489 -4.162 -7.846 5.760 1.00 0.00 N ATOM 963 CA THR A 489 -4.395 -6.869 4.699 1.00 0.00 C ATOM 964 C THR A 489 -3.064 -6.401 4.126 1.00 0.00 C ATOM 965 O THR A 489 -2.963 -6.048 2.952 1.00 0.00 O ATOM 966 CB THR A 489 -5.185 -5.672 5.230 1.00 0.00 C ATOM 967 OG1 THR A 489 -6.434 -6.088 5.750 1.00 0.00 O ATOM 968 CG2 THR A 489 -5.457 -4.621 4.175 1.00 0.00 C ATOM 0 H THR A 489 -4.671 -7.663 6.625 1.00 0.00 H new ATOM 0 HA THR A 489 -4.979 -7.345 3.911 1.00 0.00 H new ATOM 0 HB THR A 489 -4.559 -5.233 6.007 1.00 0.00 H new ATOM 0 HG1 THR A 489 -6.351 -6.247 6.713 1.00 0.00 H new ATOM 0 HG21 THR A 489 -6.021 -3.799 4.617 1.00 0.00 H new ATOM 0 HG22 THR A 489 -4.512 -4.244 3.785 1.00 0.00 H new ATOM 0 HG23 THR A 489 -6.035 -5.062 3.363 1.00 0.00 H new ATOM 976 N VAL A 490 -2.039 -6.426 4.971 1.00 0.00 N ATOM 977 CA VAL A 490 -0.696 -6.033 4.566 1.00 0.00 C ATOM 978 C VAL A 490 0.006 -7.212 3.914 1.00 0.00 C ATOM 979 O VAL A 490 0.704 -7.066 2.911 1.00 0.00 O ATOM 980 CB VAL A 490 0.124 -5.558 5.773 1.00 0.00 C ATOM 981 CG1 VAL A 490 1.434 -4.929 5.329 1.00 0.00 C ATOM 982 CG2 VAL A 490 -0.691 -4.583 6.600 1.00 0.00 C ATOM 0 H VAL A 490 -2.115 -6.716 5.946 1.00 0.00 H new ATOM 0 HA VAL A 490 -0.779 -5.210 3.856 1.00 0.00 H new ATOM 0 HB VAL A 490 0.367 -6.423 6.390 1.00 0.00 H new ATOM 0 HG11 VAL A 490 1.995 -4.601 6.204 1.00 0.00 H new ATOM 0 HG12 VAL A 490 2.021 -5.662 4.776 1.00 0.00 H new ATOM 0 HG13 VAL A 490 1.227 -4.072 4.688 1.00 0.00 H new ATOM 0 HG21 VAL A 490 -0.102 -4.250 7.455 1.00 0.00 H new ATOM 0 HG22 VAL A 490 -0.960 -3.722 5.987 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -1.598 -5.074 6.953 1.00 0.00 H new ATOM 992 N ASN A 491 -0.212 -8.385 4.492 1.00 0.00 N ATOM 993 CA ASN A 491 0.362 -9.618 3.982 1.00 0.00 C ATOM 994 C ASN A 491 -0.133 -9.875 2.561 1.00 0.00 C ATOM 995 O ASN A 491 0.564 -10.476 1.742 1.00 0.00 O ATOM 996 CB ASN A 491 -0.023 -10.774 4.910 1.00 0.00 C ATOM 997 CG ASN A 491 0.216 -12.140 4.296 1.00 0.00 C ATOM 998 OD1 ASN A 491 1.336 -12.479 3.916 1.00 0.00 O ATOM 999 ND2 ASN A 491 -0.848 -12.931 4.198 1.00 0.00 N ATOM 0 H ASN A 491 -0.789 -8.507 5.324 1.00 0.00 H new ATOM 0 HA ASN A 491 1.448 -9.535 3.953 1.00 0.00 H new ATOM 0 HB2 ASN A 491 0.548 -10.694 5.835 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -1.076 -10.682 5.176 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -0.755 -13.863 3.794 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -1.757 -12.606 4.527 1.00 0.00 H new ATOM 1006 N VAL A 492 -1.344 -9.403 2.280 1.00 0.00 N ATOM 1007 CA VAL A 492 -1.953 -9.558 0.967 1.00 0.00 C ATOM 1008 C VAL A 492 -1.759 -8.299 0.123 1.00 0.00 C ATOM 1009 O VAL A 492 -1.980 -8.312 -1.083 1.00 0.00 O ATOM 1010 CB VAL A 492 -3.460 -9.855 1.094 1.00 0.00 C ATOM 1011 CG1 VAL A 492 -4.148 -8.754 1.887 1.00 0.00 C ATOM 1012 CG2 VAL A 492 -4.101 -10.018 -0.277 1.00 0.00 C ATOM 0 H VAL A 492 -1.926 -8.905 2.953 1.00 0.00 H new ATOM 0 HA VAL A 492 -1.461 -10.397 0.475 1.00 0.00 H new ATOM 0 HB VAL A 492 -3.581 -10.796 1.631 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -5.212 -8.976 1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -3.711 -8.696 2.884 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -4.015 -7.800 1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -5.164 -10.227 -0.159 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -3.973 -9.100 -0.850 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -3.625 -10.844 -0.805 1.00 0.00 H new ATOM 1022 N LEU A 493 -1.341 -7.212 0.762 1.00 0.00 N ATOM 1023 CA LEU A 493 -1.116 -5.963 0.059 1.00 0.00 C ATOM 1024 C LEU A 493 0.331 -5.882 -0.416 1.00 0.00 C ATOM 1025 O LEU A 493 0.608 -5.488 -1.550 1.00 0.00 O ATOM 1026 CB LEU A 493 -1.436 -4.771 0.969 1.00 0.00 C ATOM 1027 CG LEU A 493 -1.114 -3.391 0.380 1.00 0.00 C ATOM 1028 CD1 LEU A 493 -1.485 -3.316 -1.094 1.00 0.00 C ATOM 1029 CD2 LEU A 493 -1.832 -2.300 1.155 1.00 0.00 C ATOM 0 H LEU A 493 -1.153 -7.174 1.764 1.00 0.00 H new ATOM 0 HA LEU A 493 -1.777 -5.929 -0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.496 -4.802 1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -0.883 -4.888 1.901 1.00 0.00 H new ATOM 0 HG LEU A 493 -0.038 -3.238 0.466 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -1.244 -2.326 -1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -0.924 -4.068 -1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -2.553 -3.501 -1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -1.592 -1.329 0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -2.908 -2.464 1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -1.512 -2.323 2.197 1.00 0.00 H new ATOM 1041 N ALA A 494 1.249 -6.264 0.464 1.00 0.00 N ATOM 1042 CA ALA A 494 2.674 -6.248 0.156 1.00 0.00 C ATOM 1043 C ALA A 494 2.966 -6.928 -1.174 1.00 0.00 C ATOM 1044 O ALA A 494 3.886 -6.542 -1.895 1.00 0.00 O ATOM 1045 CB ALA A 494 3.449 -6.933 1.268 1.00 0.00 C ATOM 0 H ALA A 494 1.029 -6.591 1.405 1.00 0.00 H new ATOM 0 HA ALA A 494 2.989 -5.208 0.076 1.00 0.00 H new ATOM 0 HB1 ALA A 494 4.513 -6.918 1.032 1.00 0.00 H new ATOM 0 HB2 ALA A 494 3.278 -6.408 2.208 1.00 0.00 H new ATOM 0 HB3 ALA A 494 3.113 -7.966 1.363 1.00 0.00 H new ATOM 1051 N GLN A 495 2.185 -7.955 -1.483 1.00 0.00 N ATOM 1052 CA GLN A 495 2.358 -8.708 -2.709 1.00 0.00 C ATOM 1053 C GLN A 495 1.982 -7.887 -3.938 1.00 0.00 C ATOM 1054 O GLN A 495 2.670 -7.926 -4.958 1.00 0.00 O ATOM 1055 CB GLN A 495 1.509 -9.974 -2.654 1.00 0.00 C ATOM 1056 CG GLN A 495 0.090 -9.729 -2.197 1.00 0.00 C ATOM 1057 CD GLN A 495 -0.927 -9.953 -3.300 1.00 0.00 C ATOM 1058 OE1 GLN A 495 -0.571 -10.230 -4.445 1.00 0.00 O ATOM 1059 NE2 GLN A 495 -2.203 -9.835 -2.958 1.00 0.00 N ATOM 0 H GLN A 495 1.421 -8.284 -0.893 1.00 0.00 H new ATOM 0 HA GLN A 495 3.413 -8.969 -2.796 1.00 0.00 H new ATOM 0 HB2 GLN A 495 1.490 -10.432 -3.643 1.00 0.00 H new ATOM 0 HB3 GLN A 495 1.981 -10.689 -1.980 1.00 0.00 H new ATOM 0 HG2 GLN A 495 -0.137 -10.389 -1.360 1.00 0.00 H new ATOM 0 HG3 GLN A 495 0.002 -8.707 -1.830 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -2.454 -9.604 -1.997 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -2.933 -9.975 -3.656 1.00 0.00 H new ATOM 1068 N ILE A 496 0.872 -7.167 -3.840 1.00 0.00 N ATOM 1069 CA ILE A 496 0.381 -6.362 -4.949 1.00 0.00 C ATOM 1070 C ILE A 496 1.129 -5.031 -5.102 1.00 0.00 C ATOM 1071 O ILE A 496 1.271 -4.519 -6.213 1.00 0.00 O ATOM 1072 CB ILE A 496 -1.124 -6.072 -4.798 1.00 0.00 C ATOM 1073 CG1 ILE A 496 -1.945 -7.320 -5.124 1.00 0.00 C ATOM 1074 CG2 ILE A 496 -1.531 -4.926 -5.705 1.00 0.00 C ATOM 1075 CD1 ILE A 496 -3.157 -7.494 -4.234 1.00 0.00 C ATOM 0 H ILE A 496 0.294 -7.125 -3.001 1.00 0.00 H new ATOM 0 HA ILE A 496 0.561 -6.955 -5.846 1.00 0.00 H new ATOM 0 HB ILE A 496 -1.320 -5.789 -3.764 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -2.271 -7.270 -6.163 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -1.307 -8.199 -5.032 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -2.597 -4.731 -5.589 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -0.967 -4.032 -5.437 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -1.321 -5.190 -6.742 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -3.693 -8.399 -4.521 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -2.837 -7.576 -3.195 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -3.816 -6.632 -4.344 1.00 0.00 H new ATOM 1087 N LEU A 497 1.579 -4.459 -3.992 1.00 0.00 N ATOM 1088 CA LEU A 497 2.281 -3.173 -4.024 1.00 0.00 C ATOM 1089 C LEU A 497 3.347 -3.123 -5.126 1.00 0.00 C ATOM 1090 O LEU A 497 3.328 -2.239 -5.981 1.00 0.00 O ATOM 1091 CB LEU A 497 2.932 -2.894 -2.662 1.00 0.00 C ATOM 1092 CG LEU A 497 2.449 -1.638 -1.912 1.00 0.00 C ATOM 1093 CD1 LEU A 497 2.085 -0.501 -2.861 1.00 0.00 C ATOM 1094 CD2 LEU A 497 1.268 -1.980 -1.021 1.00 0.00 C ATOM 0 H LEU A 497 1.473 -4.860 -3.060 1.00 0.00 H new ATOM 0 HA LEU A 497 1.540 -2.405 -4.245 1.00 0.00 H new ATOM 0 HB2 LEU A 497 2.765 -3.759 -2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 497 4.009 -2.810 -2.810 1.00 0.00 H new ATOM 0 HG LEU A 497 3.278 -1.290 -1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 497 1.751 0.361 -2.284 1.00 0.00 H new ATOM 0 HD12 LEU A 497 2.959 -0.226 -3.451 1.00 0.00 H new ATOM 0 HD13 LEU A 497 1.285 -0.825 -3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 497 0.936 -1.084 -0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 497 0.452 -2.366 -1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 497 1.567 -2.736 -0.295 1.00 0.00 H new ATOM 1106 N LYS A 498 4.291 -4.057 -5.072 1.00 0.00 N ATOM 1107 CA LYS A 498 5.393 -4.108 -6.037 1.00 0.00 C ATOM 1108 C LYS A 498 4.913 -4.276 -7.477 1.00 0.00 C ATOM 1109 O LYS A 498 5.575 -3.824 -8.411 1.00 0.00 O ATOM 1110 CB LYS A 498 6.358 -5.238 -5.678 1.00 0.00 C ATOM 1111 CG LYS A 498 5.724 -6.620 -5.716 1.00 0.00 C ATOM 1112 CD LYS A 498 5.209 -7.048 -4.349 1.00 0.00 C ATOM 1113 CE LYS A 498 6.305 -6.987 -3.288 1.00 0.00 C ATOM 1114 NZ LYS A 498 6.103 -8.005 -2.222 1.00 0.00 N ATOM 0 H LYS A 498 4.318 -4.794 -4.368 1.00 0.00 H new ATOM 0 HA LYS A 498 5.906 -3.148 -5.978 1.00 0.00 H new ATOM 0 HB2 LYS A 498 7.202 -5.216 -6.368 1.00 0.00 H new ATOM 0 HB3 LYS A 498 6.758 -5.059 -4.680 1.00 0.00 H new ATOM 0 HG2 LYS A 498 4.901 -6.622 -6.431 1.00 0.00 H new ATOM 0 HG3 LYS A 498 6.456 -7.345 -6.071 1.00 0.00 H new ATOM 0 HD2 LYS A 498 4.381 -6.404 -4.054 1.00 0.00 H new ATOM 0 HD3 LYS A 498 4.817 -8.063 -4.409 1.00 0.00 H new ATOM 0 HE2 LYS A 498 7.275 -7.143 -3.759 1.00 0.00 H new ATOM 0 HE3 LYS A 498 6.323 -5.993 -2.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 6.948 -8.047 -1.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 5.277 -7.745 -1.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 5.942 -8.936 -2.657 1.00 0.00 H new ATOM 1128 N ARG A 499 3.774 -4.922 -7.656 1.00 0.00 N ATOM 1129 CA ARG A 499 3.230 -5.136 -9.000 1.00 0.00 C ATOM 1130 C ARG A 499 3.010 -3.805 -9.710 1.00 0.00 C ATOM 1131 O ARG A 499 2.941 -3.747 -10.938 1.00 0.00 O ATOM 1132 CB ARG A 499 1.907 -5.909 -8.955 1.00 0.00 C ATOM 1133 CG ARG A 499 1.821 -6.933 -7.838 1.00 0.00 C ATOM 1134 CD ARG A 499 2.895 -7.994 -7.962 1.00 0.00 C ATOM 1135 NE ARG A 499 2.877 -8.645 -9.271 1.00 0.00 N ATOM 1136 CZ ARG A 499 3.851 -8.538 -10.176 1.00 0.00 C ATOM 1137 NH1 ARG A 499 4.929 -7.804 -9.930 1.00 0.00 N ATOM 1138 NH2 ARG A 499 3.743 -9.171 -11.337 1.00 0.00 N ATOM 0 H ARG A 499 3.207 -5.307 -6.900 1.00 0.00 H new ATOM 0 HA ARG A 499 3.961 -5.727 -9.552 1.00 0.00 H new ATOM 0 HB2 ARG A 499 1.088 -5.198 -8.845 1.00 0.00 H new ATOM 0 HB3 ARG A 499 1.763 -6.416 -9.909 1.00 0.00 H new ATOM 0 HG2 ARG A 499 1.917 -6.430 -6.876 1.00 0.00 H new ATOM 0 HG3 ARG A 499 0.839 -7.406 -7.854 1.00 0.00 H new ATOM 0 HD2 ARG A 499 3.872 -7.541 -7.797 1.00 0.00 H new ATOM 0 HD3 ARG A 499 2.755 -8.743 -7.183 1.00 0.00 H new ATOM 0 HE ARG A 499 2.067 -9.218 -9.508 1.00 0.00 H new ATOM 0 HH11 ARG A 499 5.020 -7.313 -9.040 1.00 0.00 H new ATOM 0 HH12 ARG A 499 5.667 -7.730 -10.631 1.00 0.00 H new ATOM 0 HH21 ARG A 499 2.918 -9.737 -11.535 1.00 0.00 H new ATOM 0 HH22 ARG A 499 4.485 -9.092 -12.032 1.00 0.00 H new ATOM 1152 N LEU A 500 2.888 -2.741 -8.926 1.00 0.00 N ATOM 1153 CA LEU A 500 2.662 -1.411 -9.467 1.00 0.00 C ATOM 1154 C LEU A 500 3.776 -0.997 -10.411 1.00 0.00 C ATOM 1155 O LEU A 500 3.527 -0.497 -11.508 1.00 0.00 O ATOM 1156 CB LEU A 500 2.549 -0.404 -8.326 1.00 0.00 C ATOM 1157 CG LEU A 500 1.402 -0.672 -7.353 1.00 0.00 C ATOM 1158 CD1 LEU A 500 1.532 0.202 -6.116 1.00 0.00 C ATOM 1159 CD2 LEU A 500 0.069 -0.444 -8.044 1.00 0.00 C ATOM 0 H LEU A 500 2.943 -2.776 -7.908 1.00 0.00 H new ATOM 0 HA LEU A 500 1.732 -1.431 -10.035 1.00 0.00 H new ATOM 0 HB2 LEU A 500 3.486 -0.398 -7.770 1.00 0.00 H new ATOM 0 HB3 LEU A 500 2.424 0.593 -8.749 1.00 0.00 H new ATOM 0 HG LEU A 500 1.450 -1.712 -7.032 1.00 0.00 H new ATOM 0 HD11 LEU A 500 0.705 -0.004 -5.436 1.00 0.00 H new ATOM 0 HD12 LEU A 500 2.476 -0.014 -5.616 1.00 0.00 H new ATOM 0 HD13 LEU A 500 1.508 1.252 -6.408 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -0.742 -0.638 -7.342 1.00 0.00 H new ATOM 0 HD22 LEU A 500 0.011 0.588 -8.391 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -0.019 -1.118 -8.896 1.00 0.00 H new ATOM 1171 N ASN A 501 5.003 -1.194 -9.968 1.00 0.00 N ATOM 1172 CA ASN A 501 6.167 -0.829 -10.758 1.00 0.00 C ATOM 1173 C ASN A 501 6.095 0.652 -11.117 1.00 0.00 C ATOM 1174 O ASN A 501 6.098 1.024 -12.291 1.00 0.00 O ATOM 1175 CB ASN A 501 6.236 -1.695 -12.016 1.00 0.00 C ATOM 1176 CG ASN A 501 7.359 -1.298 -12.948 1.00 0.00 C ATOM 1177 OD1 ASN A 501 7.173 -0.501 -13.866 1.00 0.00 O ATOM 1178 ND2 ASN A 501 8.535 -1.862 -12.714 1.00 0.00 N ATOM 0 H ASN A 501 5.222 -1.607 -9.061 1.00 0.00 H new ATOM 0 HA ASN A 501 7.073 -1.002 -10.177 1.00 0.00 H new ATOM 0 HB2 ASN A 501 6.364 -2.738 -11.726 1.00 0.00 H new ATOM 0 HB3 ASN A 501 5.288 -1.627 -12.549 1.00 0.00 H new ATOM 0 HD21 ASN A 501 9.334 -1.640 -13.308 1.00 0.00 H new ATOM 0 HD22 ASN A 501 8.641 -2.518 -11.940 1.00 0.00 H new ATOM 1185 N PRO A 502 6.010 1.519 -10.095 1.00 0.00 N ATOM 1186 CA PRO A 502 5.918 2.951 -10.252 1.00 0.00 C ATOM 1187 C PRO A 502 7.246 3.633 -9.993 1.00 0.00 C ATOM 1188 O PRO A 502 8.297 2.991 -9.963 1.00 0.00 O ATOM 1189 CB PRO A 502 4.924 3.316 -9.148 1.00 0.00 C ATOM 1190 CG PRO A 502 5.060 2.240 -8.105 1.00 0.00 C ATOM 1191 CD PRO A 502 5.985 1.189 -8.671 1.00 0.00 C ATOM 0 HA PRO A 502 5.626 3.255 -11.257 1.00 0.00 H new ATOM 0 HB2 PRO A 502 5.147 4.297 -8.729 1.00 0.00 H new ATOM 0 HB3 PRO A 502 3.906 3.359 -9.536 1.00 0.00 H new ATOM 0 HG2 PRO A 502 5.463 2.650 -7.179 1.00 0.00 H new ATOM 0 HG3 PRO A 502 4.088 1.809 -7.866 1.00 0.00 H new ATOM 0 HD2 PRO A 502 6.978 1.241 -8.225 1.00 0.00 H new ATOM 0 HD3 PRO A 502 5.609 0.181 -8.495 1.00 0.00 H new ATOM 1199 N GLU A 503 7.184 4.932 -9.776 1.00 0.00 N ATOM 1200 CA GLU A 503 8.359 5.712 -9.484 1.00 0.00 C ATOM 1201 C GLU A 503 8.236 6.288 -8.084 1.00 0.00 C ATOM 1202 O GLU A 503 7.136 6.607 -7.637 1.00 0.00 O ATOM 1203 CB GLU A 503 8.530 6.817 -10.516 1.00 0.00 C ATOM 1204 CG GLU A 503 9.609 6.514 -11.542 1.00 0.00 C ATOM 1205 CD GLU A 503 10.834 7.391 -11.377 1.00 0.00 C ATOM 1206 OE1 GLU A 503 11.126 7.794 -10.231 1.00 0.00 O ATOM 1207 OE2 GLU A 503 11.501 7.676 -12.393 1.00 0.00 O ATOM 0 H GLU A 503 6.318 5.470 -9.798 1.00 0.00 H new ATOM 0 HA GLU A 503 9.243 5.076 -9.530 1.00 0.00 H new ATOM 0 HB2 GLU A 503 7.582 6.975 -11.031 1.00 0.00 H new ATOM 0 HB3 GLU A 503 8.774 7.748 -10.005 1.00 0.00 H new ATOM 0 HG2 GLU A 503 9.902 5.468 -11.457 1.00 0.00 H new ATOM 0 HG3 GLU A 503 9.201 6.651 -12.544 1.00 0.00 H new ATOM 1214 N ARG A 504 9.351 6.393 -7.381 1.00 0.00 N ATOM 1215 CA ARG A 504 9.325 6.906 -6.022 1.00 0.00 C ATOM 1216 C ARG A 504 9.335 8.430 -5.987 1.00 0.00 C ATOM 1217 O ARG A 504 10.131 9.082 -6.663 1.00 0.00 O ATOM 1218 CB ARG A 504 10.493 6.347 -5.218 1.00 0.00 C ATOM 1219 CG ARG A 504 11.857 6.748 -5.758 1.00 0.00 C ATOM 1220 CD ARG A 504 12.787 7.203 -4.644 1.00 0.00 C ATOM 1221 NE ARG A 504 12.340 8.453 -4.034 1.00 0.00 N ATOM 1222 CZ ARG A 504 12.539 9.654 -4.573 1.00 0.00 C ATOM 1223 NH1 ARG A 504 13.176 9.772 -5.731 1.00 0.00 N ATOM 1224 NH2 ARG A 504 12.100 10.739 -3.952 1.00 0.00 N ATOM 0 H ARG A 504 10.276 6.133 -7.724 1.00 0.00 H new ATOM 0 HA ARG A 504 8.391 6.575 -5.567 1.00 0.00 H new ATOM 0 HB2 ARG A 504 10.407 6.686 -4.186 1.00 0.00 H new ATOM 0 HB3 ARG A 504 10.424 5.259 -5.203 1.00 0.00 H new ATOM 0 HG2 ARG A 504 12.303 5.904 -6.284 1.00 0.00 H new ATOM 0 HG3 ARG A 504 11.739 7.551 -6.486 1.00 0.00 H new ATOM 0 HD2 ARG A 504 12.845 6.427 -3.880 1.00 0.00 H new ATOM 0 HD3 ARG A 504 13.793 7.334 -5.042 1.00 0.00 H new ATOM 0 HE ARG A 504 11.846 8.403 -3.143 1.00 0.00 H new ATOM 0 HH11 ARG A 504 13.516 8.940 -6.213 1.00 0.00 H new ATOM 0 HH12 ARG A 504 13.326 10.695 -6.139 1.00 0.00 H new ATOM 0 HH21 ARG A 504 11.610 10.654 -3.062 1.00 0.00 H new ATOM 0 HH22 ARG A 504 12.252 11.659 -4.364 1.00 0.00 H new ATOM 1238 N LYS A 505 8.440 8.977 -5.175 1.00 0.00 N ATOM 1239 CA LYS A 505 8.309 10.422 -5.002 1.00 0.00 C ATOM 1240 C LYS A 505 7.805 10.721 -3.596 1.00 0.00 C ATOM 1241 O LYS A 505 7.230 9.853 -2.944 1.00 0.00 O ATOM 1242 CB LYS A 505 7.337 11.024 -6.027 1.00 0.00 C ATOM 1243 CG LYS A 505 7.368 10.354 -7.392 1.00 0.00 C ATOM 1244 CD LYS A 505 6.400 9.185 -7.461 1.00 0.00 C ATOM 1245 CE LYS A 505 4.953 9.645 -7.368 1.00 0.00 C ATOM 1246 NZ LYS A 505 4.262 9.571 -8.685 1.00 0.00 N ATOM 0 H LYS A 505 7.783 8.433 -4.616 1.00 0.00 H new ATOM 0 HA LYS A 505 9.290 10.871 -5.156 1.00 0.00 H new ATOM 0 HB2 LYS A 505 6.324 10.963 -5.629 1.00 0.00 H new ATOM 0 HB3 LYS A 505 7.567 12.082 -6.150 1.00 0.00 H new ATOM 0 HG2 LYS A 505 7.115 11.083 -8.162 1.00 0.00 H new ATOM 0 HG3 LYS A 505 8.378 10.004 -7.604 1.00 0.00 H new ATOM 0 HD2 LYS A 505 6.550 8.643 -8.395 1.00 0.00 H new ATOM 0 HD3 LYS A 505 6.613 8.488 -6.650 1.00 0.00 H new ATOM 0 HE2 LYS A 505 4.421 9.028 -6.644 1.00 0.00 H new ATOM 0 HE3 LYS A 505 4.921 10.670 -6.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 3.237 9.677 -8.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 4.608 10.333 -9.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 4.457 8.651 -9.128 1.00 0.00 H new ATOM 1260 N MET A 506 8.016 11.944 -3.124 1.00 0.00 N ATOM 1261 CA MET A 506 7.566 12.310 -1.787 1.00 0.00 C ATOM 1262 C MET A 506 6.326 13.198 -1.835 1.00 0.00 C ATOM 1263 O MET A 506 6.387 14.350 -2.265 1.00 0.00 O ATOM 1264 CB MET A 506 8.683 13.008 -1.009 1.00 0.00 C ATOM 1265 CG MET A 506 9.264 14.224 -1.713 1.00 0.00 C ATOM 1266 SD MET A 506 9.598 15.587 -0.578 1.00 0.00 S ATOM 1267 CE MET A 506 10.224 14.702 0.851 1.00 0.00 C ATOM 0 H MET A 506 8.488 12.688 -3.638 1.00 0.00 H new ATOM 0 HA MET A 506 7.301 11.387 -1.271 1.00 0.00 H new ATOM 0 HB2 MET A 506 8.297 13.314 -0.037 1.00 0.00 H new ATOM 0 HB3 MET A 506 9.484 12.292 -0.823 1.00 0.00 H new ATOM 0 HG2 MET A 506 10.188 13.941 -2.217 1.00 0.00 H new ATOM 0 HG3 MET A 506 8.570 14.559 -2.484 1.00 0.00 H new ATOM 0 HE1 MET A 506 10.717 15.402 1.525 1.00 0.00 H new ATOM 0 HE2 MET A 506 9.397 14.219 1.371 1.00 0.00 H new ATOM 0 HE3 MET A 506 10.939 13.946 0.526 1.00 0.00 H new ATOM 1277 N ILE A 507 5.202 12.655 -1.373 1.00 0.00 N ATOM 1278 CA ILE A 507 3.948 13.397 -1.345 1.00 0.00 C ATOM 1279 C ILE A 507 3.799 14.122 -0.009 1.00 0.00 C ATOM 1280 O ILE A 507 3.612 13.493 1.032 1.00 0.00 O ATOM 1281 CB ILE A 507 2.724 12.466 -1.561 1.00 0.00 C ATOM 1282 CG1 ILE A 507 2.650 11.939 -3.008 1.00 0.00 C ATOM 1283 CG2 ILE A 507 1.433 13.190 -1.207 1.00 0.00 C ATOM 1284 CD1 ILE A 507 3.501 12.705 -4.002 1.00 0.00 C ATOM 0 H ILE A 507 5.136 11.703 -1.013 1.00 0.00 H new ATOM 0 HA ILE A 507 3.977 14.119 -2.161 1.00 0.00 H new ATOM 0 HB ILE A 507 2.850 11.609 -0.899 1.00 0.00 H new ATOM 0 HG12 ILE A 507 2.957 10.893 -3.016 1.00 0.00 H new ATOM 0 HG13 ILE A 507 1.612 11.969 -3.339 1.00 0.00 H new ATOM 0 HG21 ILE A 507 0.586 12.522 -1.365 1.00 0.00 H new ATOM 0 HG22 ILE A 507 1.463 13.497 -0.162 1.00 0.00 H new ATOM 0 HG23 ILE A 507 1.324 14.070 -1.841 1.00 0.00 H new ATOM 0 HD11 ILE A 507 3.387 12.265 -4.993 1.00 0.00 H new ATOM 0 HD12 ILE A 507 3.181 13.747 -4.028 1.00 0.00 H new ATOM 0 HD13 ILE A 507 4.547 12.654 -3.700 1.00 0.00 H new ATOM 1296 N ASN A 508 3.884 15.448 -0.047 1.00 0.00 N ATOM 1297 CA ASN A 508 3.760 16.254 1.162 1.00 0.00 C ATOM 1298 C ASN A 508 4.827 15.867 2.182 1.00 0.00 C ATOM 1299 O ASN A 508 4.551 15.763 3.377 1.00 0.00 O ATOM 1300 CB ASN A 508 2.367 16.087 1.771 1.00 0.00 C ATOM 1301 CG ASN A 508 1.846 17.374 2.382 1.00 0.00 C ATOM 1302 OD1 ASN A 508 1.478 18.307 1.670 1.00 0.00 O ATOM 1303 ND2 ASN A 508 1.813 17.428 3.708 1.00 0.00 N ATOM 0 H ASN A 508 4.038 15.986 -0.900 1.00 0.00 H new ATOM 0 HA ASN A 508 3.905 17.300 0.891 1.00 0.00 H new ATOM 0 HB2 ASN A 508 1.675 15.747 1.001 1.00 0.00 H new ATOM 0 HB3 ASN A 508 2.398 15.311 2.536 1.00 0.00 H new ATOM 0 HD21 ASN A 508 1.472 18.268 4.176 1.00 0.00 H new ATOM 0 HD22 ASN A 508 2.128 16.630 4.259 1.00 0.00 H new ATOM 1310 N ASP A 509 6.049 15.652 1.700 1.00 0.00 N ATOM 1311 CA ASP A 509 7.165 15.274 2.564 1.00 0.00 C ATOM 1312 C ASP A 509 7.050 13.818 3.012 1.00 0.00 C ATOM 1313 O ASP A 509 7.732 13.393 3.945 1.00 0.00 O ATOM 1314 CB ASP A 509 7.232 16.191 3.789 1.00 0.00 C ATOM 1315 CG ASP A 509 8.658 16.511 4.195 1.00 0.00 C ATOM 1316 OD1 ASP A 509 9.411 15.566 4.512 1.00 0.00 O ATOM 1317 OD2 ASP A 509 9.021 17.706 4.194 1.00 0.00 O ATOM 0 H ASP A 509 6.292 15.733 0.713 1.00 0.00 H new ATOM 0 HA ASP A 509 8.082 15.384 1.985 1.00 0.00 H new ATOM 0 HB2 ASP A 509 6.701 17.119 3.574 1.00 0.00 H new ATOM 0 HB3 ASP A 509 6.717 15.715 4.624 1.00 0.00 H new ATOM 1322 N LYS A 510 6.189 13.055 2.343 1.00 0.00 N ATOM 1323 CA LYS A 510 5.994 11.648 2.677 1.00 0.00 C ATOM 1324 C LYS A 510 6.418 10.751 1.521 1.00 0.00 C ATOM 1325 O LYS A 510 6.033 10.978 0.377 1.00 0.00 O ATOM 1326 CB LYS A 510 4.530 11.381 3.023 1.00 0.00 C ATOM 1327 CG LYS A 510 4.313 10.052 3.727 1.00 0.00 C ATOM 1328 CD LYS A 510 4.311 10.213 5.240 1.00 0.00 C ATOM 1329 CE LYS A 510 5.575 10.904 5.732 1.00 0.00 C ATOM 1330 NZ LYS A 510 6.782 10.052 5.547 1.00 0.00 N ATOM 0 H LYS A 510 5.616 13.388 1.567 1.00 0.00 H new ATOM 0 HA LYS A 510 6.615 11.420 3.543 1.00 0.00 H new ATOM 0 HB2 LYS A 510 4.161 12.186 3.659 1.00 0.00 H new ATOM 0 HB3 LYS A 510 3.938 11.401 2.108 1.00 0.00 H new ATOM 0 HG2 LYS A 510 3.365 9.620 3.405 1.00 0.00 H new ATOM 0 HG3 LYS A 510 5.097 9.353 3.436 1.00 0.00 H new ATOM 0 HD2 LYS A 510 3.438 10.791 5.544 1.00 0.00 H new ATOM 0 HD3 LYS A 510 4.224 9.234 5.711 1.00 0.00 H new ATOM 0 HE2 LYS A 510 5.708 11.843 5.195 1.00 0.00 H new ATOM 0 HE3 LYS A 510 5.465 11.153 6.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 7.526 10.602 5.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 7.126 9.732 6.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 6.538 9.226 4.965 1.00 0.00 H new ATOM 1344 N MET A 511 7.212 9.727 1.825 1.00 0.00 N ATOM 1345 CA MET A 511 7.679 8.804 0.799 1.00 0.00 C ATOM 1346 C MET A 511 6.503 8.071 0.157 1.00 0.00 C ATOM 1347 O MET A 511 5.885 7.205 0.774 1.00 0.00 O ATOM 1348 CB MET A 511 8.661 7.799 1.409 1.00 0.00 C ATOM 1349 CG MET A 511 9.092 6.695 0.456 1.00 0.00 C ATOM 1350 SD MET A 511 10.219 7.283 -0.822 1.00 0.00 S ATOM 1351 CE MET A 511 9.058 7.962 -2.003 1.00 0.00 C ATOM 0 H MET A 511 7.542 9.518 2.767 1.00 0.00 H new ATOM 0 HA MET A 511 8.190 9.375 0.024 1.00 0.00 H new ATOM 0 HB2 MET A 511 9.546 8.335 1.752 1.00 0.00 H new ATOM 0 HB3 MET A 511 8.202 7.347 2.288 1.00 0.00 H new ATOM 0 HG2 MET A 511 9.575 5.899 1.023 1.00 0.00 H new ATOM 0 HG3 MET A 511 8.210 6.261 -0.014 1.00 0.00 H new ATOM 0 HE1 MET A 511 9.536 8.039 -2.980 1.00 0.00 H new ATOM 0 HE2 MET A 511 8.188 7.309 -2.075 1.00 0.00 H new ATOM 0 HE3 MET A 511 8.742 8.952 -1.675 1.00 0.00 H new ATOM 1361 N HIS A 512 6.207 8.425 -1.089 1.00 0.00 N ATOM 1362 CA HIS A 512 5.117 7.812 -1.830 1.00 0.00 C ATOM 1363 C HIS A 512 5.610 7.192 -3.136 1.00 0.00 C ATOM 1364 O HIS A 512 6.276 7.852 -3.935 1.00 0.00 O ATOM 1365 CB HIS A 512 4.035 8.848 -2.143 1.00 0.00 C ATOM 1366 CG HIS A 512 3.153 9.183 -0.981 1.00 0.00 C ATOM 1367 ND1 HIS A 512 1.781 9.276 -1.081 1.00 0.00 N ATOM 1368 CD2 HIS A 512 3.454 9.461 0.308 1.00 0.00 C ATOM 1369 CE1 HIS A 512 1.277 9.600 0.097 1.00 0.00 C ATOM 1370 NE2 HIS A 512 2.270 9.717 0.956 1.00 0.00 N ATOM 0 H HIS A 512 6.714 9.141 -1.609 1.00 0.00 H new ATOM 0 HA HIS A 512 4.701 7.023 -1.204 1.00 0.00 H new ATOM 0 HB2 HIS A 512 4.513 9.761 -2.497 1.00 0.00 H new ATOM 0 HB3 HIS A 512 3.416 8.475 -2.959 1.00 0.00 H new ATOM 0 HD2 HIS A 512 4.441 9.478 0.746 1.00 0.00 H new ATOM 0 HE1 HIS A 512 0.230 9.744 0.318 1.00 0.00 H new ATOM 0 HE2 HIS A 512 2.175 9.959 1.942 1.00 0.00 H new ATOM 1379 N PHE A 513 5.260 5.934 -3.361 1.00 0.00 N ATOM 1380 CA PHE A 513 5.644 5.239 -4.583 1.00 0.00 C ATOM 1381 C PHE A 513 4.425 5.088 -5.485 1.00 0.00 C ATOM 1382 O PHE A 513 3.406 4.543 -5.065 1.00 0.00 O ATOM 1383 CB PHE A 513 6.235 3.865 -4.252 1.00 0.00 C ATOM 1384 CG PHE A 513 5.988 3.418 -2.837 1.00 0.00 C ATOM 1385 CD1 PHE A 513 4.733 2.983 -2.439 1.00 0.00 C ATOM 1386 CD2 PHE A 513 7.011 3.441 -1.905 1.00 0.00 C ATOM 1387 CE1 PHE A 513 4.506 2.582 -1.137 1.00 0.00 C ATOM 1388 CE2 PHE A 513 6.791 3.040 -0.601 1.00 0.00 C ATOM 1389 CZ PHE A 513 5.535 2.609 -0.217 1.00 0.00 C ATOM 0 H PHE A 513 4.709 5.372 -2.712 1.00 0.00 H new ATOM 0 HA PHE A 513 6.405 5.822 -5.102 1.00 0.00 H new ATOM 0 HB2 PHE A 513 5.815 3.126 -4.934 1.00 0.00 H new ATOM 0 HB3 PHE A 513 7.310 3.890 -4.432 1.00 0.00 H new ATOM 0 HD1 PHE A 513 3.925 2.957 -3.155 1.00 0.00 H new ATOM 0 HD2 PHE A 513 7.994 3.777 -2.201 1.00 0.00 H new ATOM 0 HE1 PHE A 513 3.523 2.247 -0.839 1.00 0.00 H new ATOM 0 HE2 PHE A 513 7.598 3.063 0.116 1.00 0.00 H new ATOM 0 HZ PHE A 513 5.359 2.294 0.801 1.00 0.00 H new ATOM 1399 N SER A 514 4.512 5.588 -6.716 1.00 0.00 N ATOM 1400 CA SER A 514 3.380 5.506 -7.632 1.00 0.00 C ATOM 1401 C SER A 514 3.686 6.158 -8.979 1.00 0.00 C ATOM 1402 O SER A 514 4.684 6.860 -9.133 1.00 0.00 O ATOM 1403 CB SER A 514 2.161 6.166 -6.992 1.00 0.00 C ATOM 1404 OG SER A 514 1.190 5.199 -6.640 1.00 0.00 O ATOM 0 H SER A 514 5.340 6.046 -7.096 1.00 0.00 H new ATOM 0 HA SER A 514 3.175 4.452 -7.822 1.00 0.00 H new ATOM 0 HB2 SER A 514 2.467 6.720 -6.105 1.00 0.00 H new ATOM 0 HB3 SER A 514 1.727 6.887 -7.685 1.00 0.00 H new ATOM 0 HG SER A 514 1.261 4.997 -5.684 1.00 0.00 H new ATOM 1410 N LEU A 515 2.797 5.932 -9.945 1.00 0.00 N ATOM 1411 CA LEU A 515 2.935 6.502 -11.270 1.00 0.00 C ATOM 1412 C LEU A 515 1.807 7.489 -11.514 1.00 0.00 C ATOM 1413 O LEU A 515 0.851 7.547 -10.740 1.00 0.00 O ATOM 1414 CB LEU A 515 2.932 5.430 -12.363 1.00 0.00 C ATOM 1415 CG LEU A 515 1.665 4.586 -12.432 1.00 0.00 C ATOM 1416 CD1 LEU A 515 1.527 3.913 -13.789 1.00 0.00 C ATOM 1417 CD2 LEU A 515 1.684 3.558 -11.328 1.00 0.00 C ATOM 0 H LEU A 515 1.967 5.351 -9.825 1.00 0.00 H new ATOM 0 HA LEU A 515 3.898 7.011 -11.316 1.00 0.00 H new ATOM 0 HB2 LEU A 515 3.081 5.915 -13.328 1.00 0.00 H new ATOM 0 HB3 LEU A 515 3.784 4.768 -12.205 1.00 0.00 H new ATOM 0 HG LEU A 515 0.802 5.239 -12.300 1.00 0.00 H new ATOM 0 HD11 LEU A 515 0.614 3.318 -13.809 1.00 0.00 H new ATOM 0 HD12 LEU A 515 1.482 4.673 -14.569 1.00 0.00 H new ATOM 0 HD13 LEU A 515 2.386 3.265 -13.963 1.00 0.00 H new ATOM 0 HD21 LEU A 515 0.778 2.954 -11.377 1.00 0.00 H new ATOM 0 HD22 LEU A 515 2.556 2.914 -11.445 1.00 0.00 H new ATOM 0 HD23 LEU A 515 1.732 4.062 -10.363 1.00 0.00 H new ATOM 1429 N LYS A 516 1.907 8.259 -12.584 1.00 0.00 N ATOM 1430 CA LYS A 516 0.873 9.227 -12.897 1.00 0.00 C ATOM 1431 C LYS A 516 0.634 9.318 -14.397 1.00 0.00 C ATOM 1432 O LYS A 516 1.445 9.874 -15.137 1.00 0.00 O ATOM 1433 CB LYS A 516 1.211 10.600 -12.320 1.00 0.00 C ATOM 1434 CG LYS A 516 2.500 10.624 -11.527 1.00 0.00 C ATOM 1435 CD LYS A 516 3.699 10.431 -12.434 1.00 0.00 C ATOM 1436 CE LYS A 516 4.792 9.623 -11.753 1.00 0.00 C ATOM 1437 NZ LYS A 516 5.601 8.847 -12.733 1.00 0.00 N ATOM 0 H LYS A 516 2.685 8.233 -13.243 1.00 0.00 H new ATOM 0 HA LYS A 516 -0.050 8.881 -12.431 1.00 0.00 H new ATOM 0 HB2 LYS A 516 1.283 11.320 -13.135 1.00 0.00 H new ATOM 0 HB3 LYS A 516 0.393 10.926 -11.678 1.00 0.00 H new ATOM 0 HG2 LYS A 516 2.588 11.573 -10.998 1.00 0.00 H new ATOM 0 HG3 LYS A 516 2.481 9.839 -10.771 1.00 0.00 H new ATOM 0 HD2 LYS A 516 3.387 9.925 -13.347 1.00 0.00 H new ATOM 0 HD3 LYS A 516 4.094 11.404 -12.728 1.00 0.00 H new ATOM 0 HE2 LYS A 516 5.444 10.294 -11.194 1.00 0.00 H new ATOM 0 HE3 LYS A 516 4.343 8.940 -11.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 6.335 8.310 -12.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 4.983 8.189 -13.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 6.051 9.500 -13.406 1.00 0.00 H new ATOM 1451 N GLU A 517 -0.492 8.764 -14.838 1.00 0.00 N ATOM 1452 CA GLU A 517 -0.854 8.775 -16.240 1.00 0.00 C ATOM 1453 C GLU A 517 -1.439 10.126 -16.639 1.00 0.00 C ATOM 1454 O GLU A 517 -1.141 11.125 -15.951 1.00 0.00 O ATOM 1455 CB GLU A 517 -1.869 7.661 -16.518 1.00 0.00 C ATOM 1456 CG GLU A 517 -1.262 6.269 -16.687 1.00 0.00 C ATOM 1457 CD GLU A 517 0.020 6.274 -17.498 1.00 0.00 C ATOM 1458 OE1 GLU A 517 1.086 6.582 -16.924 1.00 0.00 O ATOM 1459 OE2 GLU A 517 -0.042 5.968 -18.708 1.00 0.00 O ATOM 1460 OXT GLU A 517 -2.190 10.173 -17.635 1.00 0.00 O ATOM 0 H GLU A 517 -1.170 8.300 -14.234 1.00 0.00 H new ATOM 0 HA GLU A 517 0.045 8.604 -16.833 1.00 0.00 H new ATOM 0 HB2 GLU A 517 -2.588 7.631 -15.700 1.00 0.00 H new ATOM 0 HB3 GLU A 517 -2.424 7.912 -17.422 1.00 0.00 H new ATOM 0 HG2 GLU A 517 -1.061 5.845 -15.703 1.00 0.00 H new ATOM 0 HG3 GLU A 517 -1.989 5.618 -17.172 1.00 0.00 H new