USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=21 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 505 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 512 HIS : no HD1:sc= -23.4! C(o=-23!,f=-23!) USER MOD Set 2.1: A 470 THR OG1 : rot 114:sc= 0.834 USER MOD Set 2.2: A 471 LYS NZ :NH3+ -118:sc= -0.931! (180deg=-4.62!) USER MOD Set 3.1: A 462 TYR OH : rot -158:sc= 1.34 USER MOD Set 3.2: A 476 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.261) USER MOD Single : A 455 THR OG1 : rot 180:sc= -0.362 USER MOD Single : A 464 THR OG1 : rot 180:sc= -1.29 USER MOD Single : A 466 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0968) USER MOD Single : A 468 MET CE :methyl 177:sc= -7.12! (180deg=-7.51!) USER MOD Single : A 469 THR OG1 : rot 180:sc= 0.114 USER MOD Single : A 475 LYS NZ :NH3+ -158:sc= -1.88 (180deg=-2.25!) USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 486 SER OG : rot 180:sc= 0 USER MOD Single : A 488 GLN : amide:sc= -0.0481 X(o=-0.048,f=0) USER MOD Single : A 489 THR OG1 : rot 99:sc= -0.4 USER MOD Single : A 491 ASN : amide:sc=-0.000728 X(o=-0.00073,f=-0.00073) USER MOD Single : A 495 GLN :FLIP amide:sc= -1.76 F(o=-3.8!,f=-1.8) USER MOD Single : A 498 LYS NZ :NH3+ 167:sc= -3.23! (180deg=-3.96!) USER MOD Single : A 501 ASN : amide:sc= -1.33 K(o=-1.3,f=-1.9!) USER MOD Single : A 506 MET CE :methyl 177:sc= -2.87! (180deg=-2.92!) USER MOD Single : A 508 ASN : amide:sc= -0.139 X(o=-0.14,f=0) USER MOD Single : A 510 LYS NZ :NH3+ 179:sc= -0.031 (180deg=-0.0317) USER MOD Single : A 511 MET CE :methyl -134:sc= -1.59 (180deg=-4.29!) USER MOD Single : A 514 SER OG : rot 132:sc= -2.25! USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 589 HIS :FLIP no HD1:sc= -0.845 F(o=-2.3,f=-0.85) USER MOD Single : B 592 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N ASP B 587 1.764 -1.707 12.819 1.00 0.00 N ATOM 75 CA ASP B 587 2.721 -0.833 12.162 1.00 0.00 C ATOM 76 C ASP B 587 4.106 -1.471 12.089 1.00 0.00 C ATOM 77 O ASP B 587 4.925 -1.105 11.247 1.00 0.00 O ATOM 78 CB ASP B 587 2.797 0.504 12.901 1.00 0.00 C ATOM 79 CG ASP B 587 2.624 1.689 11.972 1.00 0.00 C ATOM 80 OD1 ASP B 587 3.492 1.889 11.097 1.00 0.00 O ATOM 81 OD2 ASP B 587 1.621 2.418 12.121 1.00 0.00 O ATOM 0 HA ASP B 587 2.378 -0.666 11.141 1.00 0.00 H new ATOM 0 HB2 ASP B 587 2.026 0.534 13.671 1.00 0.00 H new ATOM 0 HB3 ASP B 587 3.758 0.581 13.409 1.00 0.00 H new ATOM 86 N ASP B 588 4.363 -2.421 12.981 1.00 0.00 N ATOM 87 CA ASP B 588 5.650 -3.104 13.025 1.00 0.00 C ATOM 88 C ASP B 588 6.022 -3.683 11.668 1.00 0.00 C ATOM 89 O ASP B 588 7.093 -3.400 11.129 1.00 0.00 O ATOM 90 CB ASP B 588 5.620 -4.207 14.069 1.00 0.00 C ATOM 91 CG ASP B 588 7.004 -4.586 14.555 1.00 0.00 C ATOM 92 OD1 ASP B 588 7.576 -3.830 15.369 1.00 0.00 O ATOM 93 OD2 ASP B 588 7.518 -5.640 14.123 1.00 0.00 O ATOM 0 H ASP B 588 3.695 -2.736 13.685 1.00 0.00 H new ATOM 0 HA ASP B 588 6.408 -2.369 13.295 1.00 0.00 H new ATOM 0 HB2 ASP B 588 5.017 -3.883 14.917 1.00 0.00 H new ATOM 0 HB3 ASP B 588 5.133 -5.087 13.649 1.00 0.00 H new ATOM 98 N HIS B 589 5.132 -4.492 11.127 1.00 0.00 N ATOM 99 CA HIS B 589 5.347 -5.122 9.838 1.00 0.00 C ATOM 100 C HIS B 589 5.046 -4.157 8.693 1.00 0.00 C ATOM 101 O HIS B 589 5.524 -4.340 7.574 1.00 0.00 O ATOM 102 CB HIS B 589 4.476 -6.371 9.714 1.00 0.00 C ATOM 103 CG HIS B 589 3.073 -6.189 10.202 1.00 0.00 C ATOM 104 ND1 HIS B 589 2.170 -5.209 9.959 1.00 0.00 N flip ATOM 105 CD2 HIS B 589 2.448 -7.083 11.044 1.00 0.00 C flip ATOM 106 CE1 HIS B 589 1.028 -5.528 10.651 1.00 0.00 C flip ATOM 107 NE2 HIS B 589 1.221 -6.663 11.297 1.00 0.00 N flip ATOM 0 H HIS B 589 4.243 -4.731 11.566 1.00 0.00 H new ATOM 0 HA HIS B 589 6.397 -5.407 9.772 1.00 0.00 H new ATOM 0 HB2 HIS B 589 4.449 -6.679 8.669 1.00 0.00 H new ATOM 0 HB3 HIS B 589 4.941 -7.182 10.274 1.00 0.00 H new ATOM 0 HD2 HIS B 589 2.892 -7.986 11.436 1.00 0.00 H new ATOM 0 HE1 HIS B 589 0.119 -4.945 10.665 1.00 0.00 H new ATOM 0 HE2 HIS B 589 0.539 -7.135 11.890 1.00 0.00 H new ATOM 116 N LEU B 590 4.249 -3.134 8.981 1.00 0.00 N ATOM 117 CA LEU B 590 3.878 -2.141 7.976 1.00 0.00 C ATOM 118 C LEU B 590 5.110 -1.594 7.260 1.00 0.00 C ATOM 119 O LEU B 590 5.068 -1.297 6.069 1.00 0.00 O ATOM 120 CB LEU B 590 3.101 -0.995 8.625 1.00 0.00 C ATOM 121 CG LEU B 590 2.809 0.189 7.703 1.00 0.00 C ATOM 122 CD1 LEU B 590 1.753 -0.182 6.674 1.00 0.00 C ATOM 123 CD2 LEU B 590 2.371 1.397 8.516 1.00 0.00 C ATOM 0 H LEU B 590 3.846 -2.969 9.903 1.00 0.00 H new ATOM 0 HA LEU B 590 3.244 -2.632 7.238 1.00 0.00 H new ATOM 0 HB2 LEU B 590 2.156 -1.385 9.002 1.00 0.00 H new ATOM 0 HB3 LEU B 590 3.664 -0.636 9.486 1.00 0.00 H new ATOM 0 HG LEU B 590 3.724 0.448 7.170 1.00 0.00 H new ATOM 0 HD11 LEU B 590 1.559 0.674 6.027 1.00 0.00 H new ATOM 0 HD12 LEU B 590 2.109 -1.018 6.072 1.00 0.00 H new ATOM 0 HD13 LEU B 590 0.833 -0.468 7.184 1.00 0.00 H new ATOM 0 HD21 LEU B 590 2.167 2.232 7.846 1.00 0.00 H new ATOM 0 HD22 LEU B 590 1.468 1.151 9.075 1.00 0.00 H new ATOM 0 HD23 LEU B 590 3.164 1.675 9.211 1.00 0.00 H new ATOM 135 N ILE B 591 6.204 -1.456 7.993 1.00 0.00 N ATOM 136 CA ILE B 591 7.435 -0.948 7.421 1.00 0.00 C ATOM 137 C ILE B 591 8.245 -2.076 6.779 1.00 0.00 C ATOM 138 O ILE B 591 8.990 -1.855 5.824 1.00 0.00 O ATOM 139 CB ILE B 591 8.288 -0.215 8.477 1.00 0.00 C ATOM 140 CG1 ILE B 591 7.527 1.006 9.002 1.00 0.00 C ATOM 141 CG2 ILE B 591 9.631 0.205 7.893 1.00 0.00 C ATOM 142 CD1 ILE B 591 8.270 1.763 10.081 1.00 0.00 C ATOM 0 H ILE B 591 6.262 -1.689 8.984 1.00 0.00 H new ATOM 0 HA ILE B 591 7.162 -0.230 6.648 1.00 0.00 H new ATOM 0 HB ILE B 591 8.480 -0.898 9.305 1.00 0.00 H new ATOM 0 HG12 ILE B 591 7.322 1.681 8.171 1.00 0.00 H new ATOM 0 HG13 ILE B 591 6.563 0.682 9.395 1.00 0.00 H new ATOM 0 HG21 ILE B 591 10.215 0.720 8.656 1.00 0.00 H new ATOM 0 HG22 ILE B 591 10.173 -0.678 7.556 1.00 0.00 H new ATOM 0 HG23 ILE B 591 9.467 0.874 7.049 1.00 0.00 H new ATOM 0 HD11 ILE B 591 7.672 2.615 10.405 1.00 0.00 H new ATOM 0 HD12 ILE B 591 8.452 1.103 10.929 1.00 0.00 H new ATOM 0 HD13 ILE B 591 9.222 2.118 9.687 1.00 0.00 H new ATOM 154 N TYR B 592 8.096 -3.286 7.315 1.00 0.00 N ATOM 155 CA TYR B 592 8.812 -4.454 6.805 1.00 0.00 C ATOM 156 C TYR B 592 8.446 -4.737 5.355 1.00 0.00 C ATOM 157 O TYR B 592 9.316 -4.997 4.524 1.00 0.00 O ATOM 158 CB TYR B 592 8.534 -5.675 7.698 1.00 0.00 C ATOM 159 CG TYR B 592 8.273 -6.962 6.942 1.00 0.00 C ATOM 160 CD1 TYR B 592 7.070 -7.163 6.282 1.00 0.00 C ATOM 161 CD2 TYR B 592 9.230 -7.967 6.884 1.00 0.00 C ATOM 162 CE1 TYR B 592 6.825 -8.325 5.586 1.00 0.00 C ATOM 163 CE2 TYR B 592 8.991 -9.137 6.189 1.00 0.00 C ATOM 164 CZ TYR B 592 7.787 -9.311 5.540 1.00 0.00 C ATOM 165 OH TYR B 592 7.545 -10.474 4.845 1.00 0.00 O ATOM 0 H TYR B 592 7.483 -3.484 8.106 1.00 0.00 H new ATOM 0 HA TYR B 592 9.881 -4.242 6.832 1.00 0.00 H new ATOM 0 HB2 TYR B 592 9.386 -5.825 8.362 1.00 0.00 H new ATOM 0 HB3 TYR B 592 7.672 -5.458 8.329 1.00 0.00 H new ATOM 0 HD1 TYR B 592 6.312 -6.394 6.315 1.00 0.00 H new ATOM 0 HD2 TYR B 592 10.175 -7.832 7.390 1.00 0.00 H new ATOM 0 HE1 TYR B 592 5.882 -8.464 5.078 1.00 0.00 H new ATOM 0 HE2 TYR B 592 9.743 -9.911 6.154 1.00 0.00 H new ATOM 0 HH TYR B 592 8.325 -11.063 4.912 1.00 0.00 H new ATOM 175 N LEU B 593 7.163 -4.688 5.056 1.00 0.00 N ATOM 176 CA LEU B 593 6.700 -4.942 3.700 1.00 0.00 C ATOM 177 C LEU B 593 6.919 -3.714 2.827 1.00 0.00 C ATOM 178 O LEU B 593 6.916 -3.801 1.603 1.00 0.00 O ATOM 179 CB LEU B 593 5.225 -5.388 3.682 1.00 0.00 C ATOM 180 CG LEU B 593 4.170 -4.289 3.501 1.00 0.00 C ATOM 181 CD1 LEU B 593 4.332 -3.216 4.557 1.00 0.00 C ATOM 182 CD2 LEU B 593 4.230 -3.690 2.103 1.00 0.00 C ATOM 0 H LEU B 593 6.424 -4.476 5.727 1.00 0.00 H new ATOM 0 HA LEU B 593 7.288 -5.763 3.289 1.00 0.00 H new ATOM 0 HB2 LEU B 593 5.100 -6.114 2.879 1.00 0.00 H new ATOM 0 HB3 LEU B 593 5.016 -5.908 4.617 1.00 0.00 H new ATOM 0 HG LEU B 593 3.187 -4.744 3.622 1.00 0.00 H new ATOM 0 HD11 LEU B 593 3.575 -2.445 4.412 1.00 0.00 H new ATOM 0 HD12 LEU B 593 4.215 -3.658 5.546 1.00 0.00 H new ATOM 0 HD13 LEU B 593 5.323 -2.771 4.474 1.00 0.00 H new ATOM 0 HD21 LEU B 593 3.470 -2.914 2.007 1.00 0.00 H new ATOM 0 HD22 LEU B 593 5.215 -3.255 1.935 1.00 0.00 H new ATOM 0 HD23 LEU B 593 4.047 -4.471 1.365 1.00 0.00 H new ATOM 194 N GLU B 594 7.103 -2.566 3.461 1.00 0.00 N ATOM 195 CA GLU B 594 7.318 -1.333 2.730 1.00 0.00 C ATOM 196 C GLU B 594 8.607 -1.399 1.915 1.00 0.00 C ATOM 197 O GLU B 594 8.717 -0.775 0.860 1.00 0.00 O ATOM 198 CB GLU B 594 7.363 -0.151 3.688 1.00 0.00 C ATOM 199 CG GLU B 594 7.714 1.170 3.019 1.00 0.00 C ATOM 200 CD GLU B 594 7.713 2.333 3.991 1.00 0.00 C ATOM 201 OE1 GLU B 594 7.825 2.088 5.211 1.00 0.00 O ATOM 202 OE2 GLU B 594 7.600 3.490 3.532 1.00 0.00 O ATOM 0 H GLU B 594 7.107 -2.465 4.476 1.00 0.00 H new ATOM 0 HA GLU B 594 6.484 -1.198 2.041 1.00 0.00 H new ATOM 0 HB2 GLU B 594 6.393 -0.054 4.176 1.00 0.00 H new ATOM 0 HB3 GLU B 594 8.094 -0.357 4.470 1.00 0.00 H new ATOM 0 HG2 GLU B 594 8.698 1.089 2.556 1.00 0.00 H new ATOM 0 HG3 GLU B 594 7.001 1.369 2.219 1.00 0.00 H new ATOM 209 N GLU B 595 9.581 -2.145 2.423 1.00 0.00 N ATOM 210 CA GLU B 595 10.874 -2.279 1.760 1.00 0.00 C ATOM 211 C GLU B 595 10.853 -3.326 0.652 1.00 0.00 C ATOM 212 O GLU B 595 11.407 -3.110 -0.427 1.00 0.00 O ATOM 213 CB GLU B 595 11.964 -2.614 2.780 1.00 0.00 C ATOM 214 CG GLU B 595 11.634 -3.802 3.669 1.00 0.00 C ATOM 215 CD GLU B 595 12.846 -4.327 4.412 1.00 0.00 C ATOM 216 OE1 GLU B 595 13.546 -3.518 5.055 1.00 0.00 O ATOM 217 OE2 GLU B 595 13.095 -5.550 4.351 1.00 0.00 O ATOM 0 H GLU B 595 9.500 -2.668 3.295 1.00 0.00 H new ATOM 0 HA GLU B 595 11.095 -1.318 1.295 1.00 0.00 H new ATOM 0 HB2 GLU B 595 12.894 -2.818 2.249 1.00 0.00 H new ATOM 0 HB3 GLU B 595 12.140 -1.741 3.408 1.00 0.00 H new ATOM 0 HG2 GLU B 595 10.869 -3.511 4.389 1.00 0.00 H new ATOM 0 HG3 GLU B 595 11.211 -4.601 3.060 1.00 0.00 H new ATOM 224 N ILE B 596 10.218 -4.453 0.919 1.00 0.00 N ATOM 225 CA ILE B 596 10.131 -5.535 -0.064 1.00 0.00 C ATOM 226 C ILE B 596 9.604 -5.034 -1.399 1.00 0.00 C ATOM 227 O ILE B 596 9.882 -5.609 -2.451 1.00 0.00 O ATOM 228 CB ILE B 596 9.223 -6.680 0.427 1.00 0.00 C ATOM 229 CG1 ILE B 596 7.802 -6.165 0.656 1.00 0.00 C ATOM 230 CG2 ILE B 596 9.784 -7.297 1.698 1.00 0.00 C ATOM 231 CD1 ILE B 596 6.753 -6.900 -0.143 1.00 0.00 C ATOM 0 H ILE B 596 9.753 -4.649 1.805 1.00 0.00 H new ATOM 0 HA ILE B 596 11.146 -5.912 -0.193 1.00 0.00 H new ATOM 0 HB ILE B 596 9.190 -7.454 -0.340 1.00 0.00 H new ATOM 0 HG12 ILE B 596 7.562 -6.247 1.716 1.00 0.00 H new ATOM 0 HG13 ILE B 596 7.764 -5.106 0.402 1.00 0.00 H new ATOM 0 HG21 ILE B 596 9.130 -8.103 2.030 1.00 0.00 H new ATOM 0 HG22 ILE B 596 10.779 -7.695 1.501 1.00 0.00 H new ATOM 0 HG23 ILE B 596 9.845 -6.536 2.476 1.00 0.00 H new ATOM 0 HD11 ILE B 596 5.771 -6.479 0.072 1.00 0.00 H new ATOM 0 HD12 ILE B 596 6.967 -6.797 -1.207 1.00 0.00 H new ATOM 0 HD13 ILE B 596 6.762 -7.956 0.128 1.00 0.00 H new ATOM 243 N LEU B 597 8.829 -3.970 -1.338 1.00 0.00 N ATOM 244 CA LEU B 597 8.233 -3.380 -2.520 1.00 0.00 C ATOM 245 C LEU B 597 9.234 -2.610 -3.349 1.00 0.00 C ATOM 246 O LEU B 597 9.728 -3.086 -4.371 1.00 0.00 O ATOM 247 CB LEU B 597 7.112 -2.440 -2.103 1.00 0.00 C ATOM 248 CG LEU B 597 6.686 -1.433 -3.176 1.00 0.00 C ATOM 249 CD1 LEU B 597 6.184 -2.154 -4.409 1.00 0.00 C ATOM 250 CD2 LEU B 597 5.625 -0.493 -2.641 1.00 0.00 C ATOM 0 H LEU B 597 8.595 -3.490 -0.469 1.00 0.00 H new ATOM 0 HA LEU B 597 7.851 -4.196 -3.133 1.00 0.00 H new ATOM 0 HB2 LEU B 597 6.244 -3.035 -1.818 1.00 0.00 H new ATOM 0 HB3 LEU B 597 7.428 -1.892 -1.215 1.00 0.00 H new ATOM 0 HG LEU B 597 7.558 -0.840 -3.452 1.00 0.00 H new ATOM 0 HD11 LEU B 597 5.885 -1.424 -5.161 1.00 0.00 H new ATOM 0 HD12 LEU B 597 6.978 -2.785 -4.810 1.00 0.00 H new ATOM 0 HD13 LEU B 597 5.327 -2.774 -4.145 1.00 0.00 H new ATOM 0 HD21 LEU B 597 5.338 0.213 -3.420 1.00 0.00 H new ATOM 0 HD22 LEU B 597 4.752 -1.068 -2.333 1.00 0.00 H new ATOM 0 HD23 LEU B 597 6.021 0.053 -1.785 1.00 0.00 H new ATOM 262 N VAL B 598 9.482 -1.396 -2.913 1.00 0.00 N ATOM 263 CA VAL B 598 10.368 -0.505 -3.610 1.00 0.00 C ATOM 264 C VAL B 598 11.218 0.278 -2.629 1.00 0.00 C ATOM 265 O VAL B 598 11.617 1.411 -2.896 1.00 0.00 O ATOM 266 CB VAL B 598 9.567 0.474 -4.489 1.00 0.00 C ATOM 267 CG1 VAL B 598 8.729 -0.269 -5.522 1.00 0.00 C ATOM 268 CG2 VAL B 598 8.682 1.355 -3.622 1.00 0.00 C ATOM 0 H VAL B 598 9.073 -1.003 -2.065 1.00 0.00 H new ATOM 0 HA VAL B 598 11.019 -1.106 -4.245 1.00 0.00 H new ATOM 0 HB VAL B 598 10.276 1.104 -5.026 1.00 0.00 H new ATOM 0 HG11 VAL B 598 8.176 0.450 -6.127 1.00 0.00 H new ATOM 0 HG12 VAL B 598 9.383 -0.858 -6.166 1.00 0.00 H new ATOM 0 HG13 VAL B 598 8.028 -0.931 -5.014 1.00 0.00 H new ATOM 0 HG21 VAL B 598 8.121 2.042 -4.255 1.00 0.00 H new ATOM 0 HG22 VAL B 598 7.987 0.731 -3.059 1.00 0.00 H new ATOM 0 HG23 VAL B 598 9.302 1.924 -2.929 1.00 0.00 H new ATOM 367 N VAL A 454 -8.674 -6.439 -2.032 1.00 0.00 N ATOM 368 CA VAL A 454 -7.346 -5.937 -2.360 1.00 0.00 C ATOM 369 C VAL A 454 -6.740 -6.714 -3.513 1.00 0.00 C ATOM 370 O VAL A 454 -6.427 -7.898 -3.383 1.00 0.00 O ATOM 371 CB VAL A 454 -6.409 -5.994 -1.139 1.00 0.00 C ATOM 372 CG1 VAL A 454 -4.945 -6.099 -1.552 1.00 0.00 C ATOM 373 CG2 VAL A 454 -6.636 -4.769 -0.288 1.00 0.00 C ATOM 0 HA VAL A 454 -7.459 -4.895 -2.660 1.00 0.00 H new ATOM 0 HB VAL A 454 -6.640 -6.891 -0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -4.318 -6.137 -0.662 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -4.797 -7.005 -2.139 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -4.673 -5.230 -2.151 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -5.976 -4.801 0.579 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -6.423 -3.875 -0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -7.673 -4.745 0.046 1.00 0.00 H new ATOM 383 N THR A 455 -6.588 -6.045 -4.644 1.00 0.00 N ATOM 384 CA THR A 455 -6.030 -6.685 -5.818 1.00 0.00 C ATOM 385 C THR A 455 -4.942 -5.859 -6.469 1.00 0.00 C ATOM 386 O THR A 455 -4.691 -4.712 -6.097 1.00 0.00 O ATOM 387 CB THR A 455 -7.134 -6.965 -6.822 1.00 0.00 C ATOM 388 OG1 THR A 455 -7.896 -5.795 -7.071 1.00 0.00 O ATOM 389 CG2 THR A 455 -8.071 -8.035 -6.331 1.00 0.00 C ATOM 0 H THR A 455 -6.842 -5.065 -4.771 1.00 0.00 H new ATOM 0 HA THR A 455 -5.573 -7.619 -5.491 1.00 0.00 H new ATOM 0 HB THR A 455 -6.646 -7.301 -7.737 1.00 0.00 H new ATOM 0 HG1 THR A 455 -8.601 -5.996 -7.722 1.00 0.00 H new ATOM 0 HG21 THR A 455 -8.848 -8.208 -7.076 1.00 0.00 H new ATOM 0 HG22 THR A 455 -7.515 -8.958 -6.165 1.00 0.00 H new ATOM 0 HG23 THR A 455 -8.530 -7.715 -5.396 1.00 0.00 H new ATOM 397 N GLU A 456 -4.313 -6.465 -7.457 1.00 0.00 N ATOM 398 CA GLU A 456 -3.256 -5.831 -8.208 1.00 0.00 C ATOM 399 C GLU A 456 -3.810 -4.704 -9.062 1.00 0.00 C ATOM 400 O GLU A 456 -3.327 -3.574 -9.022 1.00 0.00 O ATOM 401 CB GLU A 456 -2.589 -6.872 -9.092 1.00 0.00 C ATOM 402 CG GLU A 456 -1.419 -7.579 -8.423 1.00 0.00 C ATOM 403 CD GLU A 456 -0.911 -8.752 -9.238 1.00 0.00 C ATOM 404 OE1 GLU A 456 -0.214 -8.517 -10.248 1.00 0.00 O ATOM 405 OE2 GLU A 456 -1.211 -9.907 -8.867 1.00 0.00 O ATOM 0 H GLU A 456 -4.525 -7.416 -7.760 1.00 0.00 H new ATOM 0 HA GLU A 456 -2.527 -5.408 -7.517 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -3.330 -7.614 -9.388 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -2.238 -6.391 -10.005 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -0.607 -6.868 -8.270 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -1.725 -7.930 -7.438 1.00 0.00 H new ATOM 412 N ASP A 457 -4.826 -5.041 -9.840 1.00 0.00 N ATOM 413 CA ASP A 457 -5.474 -4.086 -10.736 1.00 0.00 C ATOM 414 C ASP A 457 -6.104 -2.919 -9.977 1.00 0.00 C ATOM 415 O ASP A 457 -6.238 -1.820 -10.514 1.00 0.00 O ATOM 416 CB ASP A 457 -6.537 -4.792 -11.572 1.00 0.00 C ATOM 417 CG ASP A 457 -6.238 -4.735 -13.058 1.00 0.00 C ATOM 418 OD1 ASP A 457 -5.747 -3.686 -13.526 1.00 0.00 O ATOM 419 OD2 ASP A 457 -6.495 -5.741 -13.754 1.00 0.00 O ATOM 0 H ASP A 457 -5.226 -5.979 -9.871 1.00 0.00 H new ATOM 0 HA ASP A 457 -4.702 -3.677 -11.388 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -6.609 -5.833 -11.259 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -7.508 -4.334 -11.382 1.00 0.00 H new ATOM 424 N ALA A 458 -6.496 -3.163 -8.735 1.00 0.00 N ATOM 425 CA ALA A 458 -7.119 -2.128 -7.913 1.00 0.00 C ATOM 426 C ALA A 458 -6.145 -1.001 -7.619 1.00 0.00 C ATOM 427 O ALA A 458 -6.405 0.159 -7.935 1.00 0.00 O ATOM 428 CB ALA A 458 -7.641 -2.719 -6.608 1.00 0.00 C ATOM 0 H ALA A 458 -6.395 -4.066 -8.272 1.00 0.00 H new ATOM 0 HA ALA A 458 -7.958 -1.719 -8.476 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -8.101 -1.932 -6.010 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -8.382 -3.488 -6.827 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -6.814 -3.160 -6.052 1.00 0.00 H new ATOM 434 N VAL A 459 -5.024 -1.347 -7.004 1.00 0.00 N ATOM 435 CA VAL A 459 -4.013 -0.361 -6.657 1.00 0.00 C ATOM 436 C VAL A 459 -3.618 0.486 -7.861 1.00 0.00 C ATOM 437 O VAL A 459 -3.178 1.625 -7.710 1.00 0.00 O ATOM 438 CB VAL A 459 -2.760 -1.024 -6.063 1.00 0.00 C ATOM 439 CG1 VAL A 459 -1.805 0.034 -5.533 1.00 0.00 C ATOM 440 CG2 VAL A 459 -3.144 -2.002 -4.962 1.00 0.00 C ATOM 0 H VAL A 459 -4.792 -2.303 -6.735 1.00 0.00 H new ATOM 0 HA VAL A 459 -4.458 0.289 -5.903 1.00 0.00 H new ATOM 0 HB VAL A 459 -2.254 -1.581 -6.852 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -0.922 -0.449 -5.115 1.00 0.00 H new ATOM 0 HG12 VAL A 459 -1.506 0.695 -6.347 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -2.301 0.616 -4.757 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -2.244 -2.462 -4.553 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -3.671 -1.470 -4.170 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -3.792 -2.776 -5.373 1.00 0.00 H new ATOM 450 N ARG A 460 -3.788 -0.069 -9.056 1.00 0.00 N ATOM 451 CA ARG A 460 -3.457 0.647 -10.284 1.00 0.00 C ATOM 452 C ARG A 460 -4.331 1.887 -10.430 1.00 0.00 C ATOM 453 O ARG A 460 -3.855 2.954 -10.812 1.00 0.00 O ATOM 454 CB ARG A 460 -3.639 -0.255 -11.508 1.00 0.00 C ATOM 455 CG ARG A 460 -3.142 -1.678 -11.311 1.00 0.00 C ATOM 456 CD ARG A 460 -1.695 -1.709 -10.840 1.00 0.00 C ATOM 457 NE ARG A 460 -0.798 -2.231 -11.868 1.00 0.00 N ATOM 458 CZ ARG A 460 -0.776 -3.504 -12.255 1.00 0.00 C ATOM 459 NH1 ARG A 460 -1.601 -4.387 -11.705 1.00 0.00 N ATOM 460 NH2 ARG A 460 0.071 -3.896 -13.197 1.00 0.00 N ATOM 0 H ARG A 460 -4.152 -1.011 -9.201 1.00 0.00 H new ATOM 0 HA ARG A 460 -2.412 0.950 -10.223 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -4.697 -0.284 -11.770 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -3.113 0.188 -12.354 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -3.773 -2.186 -10.582 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -3.232 -2.228 -12.248 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -1.382 -0.702 -10.562 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -1.618 -2.325 -9.944 1.00 0.00 H new ATOM 0 HE ARG A 460 -0.151 -1.582 -12.315 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -2.256 -4.091 -10.982 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -1.579 -5.361 -12.006 1.00 0.00 H new ATOM 0 HH21 ARG A 460 0.706 -3.222 -13.625 1.00 0.00 H new ATOM 0 HH22 ARG A 460 0.088 -4.872 -13.494 1.00 0.00 H new ATOM 474 N ARG A 461 -5.611 1.732 -10.113 1.00 0.00 N ATOM 475 CA ARG A 461 -6.567 2.826 -10.195 1.00 0.00 C ATOM 476 C ARG A 461 -6.214 3.923 -9.196 1.00 0.00 C ATOM 477 O ARG A 461 -6.584 5.083 -9.377 1.00 0.00 O ATOM 478 CB ARG A 461 -7.980 2.283 -9.950 1.00 0.00 C ATOM 479 CG ARG A 461 -8.445 2.415 -8.515 1.00 0.00 C ATOM 480 CD ARG A 461 -9.873 1.932 -8.338 1.00 0.00 C ATOM 481 NE ARG A 461 -10.749 2.986 -7.833 1.00 0.00 N ATOM 482 CZ ARG A 461 -12.078 2.905 -7.825 1.00 0.00 C ATOM 483 NH1 ARG A 461 -12.686 1.822 -8.293 1.00 0.00 N ATOM 484 NH2 ARG A 461 -12.800 3.909 -7.349 1.00 0.00 N ATOM 0 H ARG A 461 -6.012 0.850 -9.794 1.00 0.00 H new ATOM 0 HA ARG A 461 -6.529 3.268 -11.191 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -8.679 2.810 -10.599 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -8.010 1.232 -10.237 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -7.784 1.842 -7.865 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -8.373 3.457 -8.204 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -10.254 1.570 -9.293 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -9.887 1.088 -7.649 1.00 0.00 H new ATOM 0 HE ARG A 461 -10.317 3.834 -7.465 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -12.135 1.047 -8.661 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -13.704 1.765 -8.285 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -12.338 4.744 -6.989 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -13.818 3.847 -7.343 1.00 0.00 H new ATOM 498 N TYR A 462 -5.495 3.546 -8.147 1.00 0.00 N ATOM 499 CA TYR A 462 -5.089 4.495 -7.126 1.00 0.00 C ATOM 500 C TYR A 462 -3.935 5.360 -7.620 1.00 0.00 C ATOM 501 O TYR A 462 -3.940 6.572 -7.426 1.00 0.00 O ATOM 502 CB TYR A 462 -4.693 3.757 -5.846 1.00 0.00 C ATOM 503 CG TYR A 462 -5.784 2.863 -5.287 1.00 0.00 C ATOM 504 CD1 TYR A 462 -7.118 3.040 -5.645 1.00 0.00 C ATOM 505 CD2 TYR A 462 -5.478 1.841 -4.398 1.00 0.00 C ATOM 506 CE1 TYR A 462 -8.109 2.224 -5.132 1.00 0.00 C ATOM 507 CE2 TYR A 462 -6.463 1.024 -3.884 1.00 0.00 C ATOM 508 CZ TYR A 462 -7.776 1.218 -4.253 1.00 0.00 C ATOM 509 OH TYR A 462 -8.760 0.404 -3.740 1.00 0.00 O ATOM 0 H TYR A 462 -5.182 2.589 -7.983 1.00 0.00 H new ATOM 0 HA TYR A 462 -5.934 5.148 -6.907 1.00 0.00 H new ATOM 0 HB2 TYR A 462 -3.809 3.152 -6.046 1.00 0.00 H new ATOM 0 HB3 TYR A 462 -4.413 4.489 -5.088 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -7.383 3.828 -6.335 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -4.451 1.683 -4.104 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -9.139 2.375 -5.419 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -6.206 0.234 -3.194 1.00 0.00 H new ATOM 0 HH TYR A 462 -8.446 -0.002 -2.905 1.00 0.00 H new ATOM 519 N LEU A 463 -2.954 4.732 -8.264 1.00 0.00 N ATOM 520 CA LEU A 463 -1.798 5.445 -8.786 1.00 0.00 C ATOM 521 C LEU A 463 -2.193 6.394 -9.905 1.00 0.00 C ATOM 522 O LEU A 463 -1.986 7.603 -9.807 1.00 0.00 O ATOM 523 CB LEU A 463 -0.751 4.460 -9.295 1.00 0.00 C ATOM 524 CG LEU A 463 -0.704 3.114 -8.579 1.00 0.00 C ATOM 525 CD1 LEU A 463 0.459 2.286 -9.094 1.00 0.00 C ATOM 526 CD2 LEU A 463 -0.597 3.316 -7.075 1.00 0.00 C ATOM 0 H LEU A 463 -2.940 3.727 -8.436 1.00 0.00 H new ATOM 0 HA LEU A 463 -1.376 6.032 -7.970 1.00 0.00 H new ATOM 0 HB2 LEU A 463 -0.933 4.281 -10.355 1.00 0.00 H new ATOM 0 HB3 LEU A 463 0.230 4.928 -9.215 1.00 0.00 H new ATOM 0 HG LEU A 463 -1.629 2.575 -8.785 1.00 0.00 H new ATOM 0 HD11 LEU A 463 0.481 1.328 -8.575 1.00 0.00 H new ATOM 0 HD12 LEU A 463 0.339 2.116 -10.164 1.00 0.00 H new ATOM 0 HD13 LEU A 463 1.393 2.818 -8.913 1.00 0.00 H new ATOM 0 HD21 LEU A 463 -0.565 2.346 -6.579 1.00 0.00 H new ATOM 0 HD22 LEU A 463 0.313 3.871 -6.846 1.00 0.00 H new ATOM 0 HD23 LEU A 463 -1.462 3.876 -6.721 1.00 0.00 H new ATOM 538 N THR A 464 -2.770 5.843 -10.970 1.00 0.00 N ATOM 539 CA THR A 464 -3.198 6.656 -12.101 1.00 0.00 C ATOM 540 C THR A 464 -4.033 7.835 -11.620 1.00 0.00 C ATOM 541 O THR A 464 -4.095 8.878 -12.273 1.00 0.00 O ATOM 542 CB THR A 464 -3.996 5.814 -13.100 1.00 0.00 C ATOM 543 OG1 THR A 464 -4.375 4.576 -12.527 1.00 0.00 O ATOM 544 CG2 THR A 464 -3.233 5.516 -14.373 1.00 0.00 C ATOM 0 H THR A 464 -2.950 4.844 -11.072 1.00 0.00 H new ATOM 0 HA THR A 464 -2.310 7.038 -12.604 1.00 0.00 H new ATOM 0 HB THR A 464 -4.870 6.415 -13.350 1.00 0.00 H new ATOM 0 HG1 THR A 464 -4.885 4.055 -13.182 1.00 0.00 H new ATOM 0 HG21 THR A 464 -3.855 4.916 -15.038 1.00 0.00 H new ATOM 0 HG22 THR A 464 -2.971 6.451 -14.867 1.00 0.00 H new ATOM 0 HG23 THR A 464 -2.324 4.966 -14.132 1.00 0.00 H new ATOM 552 N ARG A 465 -4.669 7.660 -10.469 1.00 0.00 N ATOM 553 CA ARG A 465 -5.494 8.699 -9.887 1.00 0.00 C ATOM 554 C ARG A 465 -4.660 9.612 -8.988 1.00 0.00 C ATOM 555 O ARG A 465 -4.811 10.833 -9.012 1.00 0.00 O ATOM 556 CB ARG A 465 -6.645 8.083 -9.089 1.00 0.00 C ATOM 557 CG ARG A 465 -7.854 7.729 -9.938 1.00 0.00 C ATOM 558 CD ARG A 465 -8.990 7.182 -9.089 1.00 0.00 C ATOM 559 NE ARG A 465 -9.283 8.046 -7.947 1.00 0.00 N ATOM 560 CZ ARG A 465 -10.013 7.668 -6.900 1.00 0.00 C ATOM 561 NH1 ARG A 465 -10.527 6.445 -6.847 1.00 0.00 N ATOM 562 NH2 ARG A 465 -10.232 8.515 -5.903 1.00 0.00 N ATOM 0 H ARG A 465 -4.626 6.801 -9.921 1.00 0.00 H new ATOM 0 HA ARG A 465 -5.909 9.298 -10.698 1.00 0.00 H new ATOM 0 HB2 ARG A 465 -6.288 7.183 -8.588 1.00 0.00 H new ATOM 0 HB3 ARG A 465 -6.951 8.782 -8.310 1.00 0.00 H new ATOM 0 HG2 ARG A 465 -8.194 8.614 -10.476 1.00 0.00 H new ATOM 0 HG3 ARG A 465 -7.570 6.990 -10.687 1.00 0.00 H new ATOM 0 HD2 ARG A 465 -9.884 7.077 -9.703 1.00 0.00 H new ATOM 0 HD3 ARG A 465 -8.729 6.185 -8.733 1.00 0.00 H new ATOM 0 HE ARG A 465 -8.906 8.994 -7.953 1.00 0.00 H new ATOM 0 HH11 ARG A 465 -10.363 5.789 -7.611 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -11.086 6.161 -6.042 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -9.841 9.456 -5.938 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -10.791 8.225 -5.101 1.00 0.00 H new ATOM 576 N LYS A 466 -3.778 9.005 -8.195 1.00 0.00 N ATOM 577 CA LYS A 466 -2.910 9.747 -7.284 1.00 0.00 C ATOM 578 C LYS A 466 -1.884 8.808 -6.644 1.00 0.00 C ATOM 579 O LYS A 466 -2.059 7.594 -6.654 1.00 0.00 O ATOM 580 CB LYS A 466 -3.740 10.467 -6.209 1.00 0.00 C ATOM 581 CG LYS A 466 -4.073 9.610 -4.995 1.00 0.00 C ATOM 582 CD LYS A 466 -4.936 8.422 -5.377 1.00 0.00 C ATOM 583 CE LYS A 466 -4.461 7.145 -4.701 1.00 0.00 C ATOM 584 NZ LYS A 466 -4.456 7.272 -3.217 1.00 0.00 N ATOM 0 H LYS A 466 -3.646 7.994 -8.166 1.00 0.00 H new ATOM 0 HA LYS A 466 -2.372 10.503 -7.856 1.00 0.00 H new ATOM 0 HB2 LYS A 466 -3.195 11.350 -5.877 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -4.670 10.817 -6.658 1.00 0.00 H new ATOM 0 HG2 LYS A 466 -3.151 9.258 -4.532 1.00 0.00 H new ATOM 0 HG3 LYS A 466 -4.592 10.215 -4.252 1.00 0.00 H new ATOM 0 HD2 LYS A 466 -5.971 8.619 -5.098 1.00 0.00 H new ATOM 0 HD3 LYS A 466 -4.917 8.291 -6.459 1.00 0.00 H new ATOM 0 HE2 LYS A 466 -5.108 6.318 -4.993 1.00 0.00 H new ATOM 0 HE3 LYS A 466 -3.457 6.902 -5.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 -4.309 6.336 -2.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 -3.689 7.911 -2.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 -5.367 7.659 -2.899 1.00 0.00 H new ATOM 598 N PRO A 467 -0.789 9.348 -6.086 1.00 0.00 N ATOM 599 CA PRO A 467 0.249 8.523 -5.466 1.00 0.00 C ATOM 600 C PRO A 467 -0.181 7.936 -4.125 1.00 0.00 C ATOM 601 O PRO A 467 -1.250 8.263 -3.610 1.00 0.00 O ATOM 602 CB PRO A 467 1.410 9.493 -5.296 1.00 0.00 C ATOM 603 CG PRO A 467 0.768 10.826 -5.160 1.00 0.00 C ATOM 604 CD PRO A 467 -0.466 10.785 -6.025 1.00 0.00 C ATOM 0 HA PRO A 467 0.493 7.651 -6.072 1.00 0.00 H new ATOM 0 HB2 PRO A 467 2.005 9.248 -4.416 1.00 0.00 H new ATOM 0 HB3 PRO A 467 2.081 9.462 -6.154 1.00 0.00 H new ATOM 0 HG2 PRO A 467 0.509 11.030 -4.121 1.00 0.00 H new ATOM 0 HG3 PRO A 467 1.443 11.619 -5.482 1.00 0.00 H new ATOM 0 HD2 PRO A 467 -1.282 11.363 -5.590 1.00 0.00 H new ATOM 0 HD3 PRO A 467 -0.277 11.197 -7.016 1.00 0.00 H new ATOM 612 N MET A 468 0.653 7.056 -3.563 1.00 0.00 N ATOM 613 CA MET A 468 0.337 6.425 -2.285 1.00 0.00 C ATOM 614 C MET A 468 1.538 5.714 -1.669 1.00 0.00 C ATOM 615 O MET A 468 2.494 5.348 -2.353 1.00 0.00 O ATOM 616 CB MET A 468 -0.812 5.411 -2.437 1.00 0.00 C ATOM 617 CG MET A 468 -0.434 4.108 -3.131 1.00 0.00 C ATOM 618 SD MET A 468 0.826 4.271 -4.409 1.00 0.00 S ATOM 619 CE MET A 468 1.811 2.811 -4.077 1.00 0.00 C ATOM 0 H MET A 468 1.543 6.769 -3.971 1.00 0.00 H new ATOM 0 HA MET A 468 0.036 7.234 -1.619 1.00 0.00 H new ATOM 0 HB2 MET A 468 -1.204 5.177 -1.447 1.00 0.00 H new ATOM 0 HB3 MET A 468 -1.620 5.882 -2.997 1.00 0.00 H new ATOM 0 HG2 MET A 468 -0.080 3.402 -2.380 1.00 0.00 H new ATOM 0 HG3 MET A 468 -1.330 3.677 -3.577 1.00 0.00 H new ATOM 0 HE1 MET A 468 2.607 2.733 -4.818 1.00 0.00 H new ATOM 0 HE2 MET A 468 2.248 2.886 -3.081 1.00 0.00 H new ATOM 0 HE3 MET A 468 1.178 1.925 -4.130 1.00 0.00 H new ATOM 629 N THR A 469 1.441 5.498 -0.365 1.00 0.00 N ATOM 630 CA THR A 469 2.462 4.793 0.398 1.00 0.00 C ATOM 631 C THR A 469 1.868 3.478 0.894 1.00 0.00 C ATOM 632 O THR A 469 0.647 3.359 1.009 1.00 0.00 O ATOM 633 CB THR A 469 2.935 5.640 1.582 1.00 0.00 C ATOM 634 OG1 THR A 469 1.994 5.591 2.640 1.00 0.00 O ATOM 635 CG2 THR A 469 3.152 7.096 1.229 1.00 0.00 C ATOM 0 H THR A 469 0.648 5.808 0.197 1.00 0.00 H new ATOM 0 HA THR A 469 3.326 4.599 -0.238 1.00 0.00 H new ATOM 0 HB THR A 469 3.891 5.209 1.881 1.00 0.00 H new ATOM 0 HG1 THR A 469 2.314 6.137 3.388 1.00 0.00 H new ATOM 0 HG21 THR A 469 3.486 7.639 2.113 1.00 0.00 H new ATOM 0 HG22 THR A 469 3.909 7.172 0.448 1.00 0.00 H new ATOM 0 HG23 THR A 469 2.217 7.527 0.871 1.00 0.00 H new ATOM 643 N THR A 470 2.706 2.485 1.169 1.00 0.00 N ATOM 644 CA THR A 470 2.204 1.188 1.626 1.00 0.00 C ATOM 645 C THR A 470 1.239 1.342 2.787 1.00 0.00 C ATOM 646 O THR A 470 0.182 0.713 2.815 1.00 0.00 O ATOM 647 CB THR A 470 3.353 0.254 2.008 1.00 0.00 C ATOM 648 OG1 THR A 470 4.485 0.988 2.431 1.00 0.00 O ATOM 649 CG2 THR A 470 3.788 -0.644 0.871 1.00 0.00 C ATOM 0 H THR A 470 3.721 2.547 1.086 1.00 0.00 H new ATOM 0 HA THR A 470 1.661 0.742 0.793 1.00 0.00 H new ATOM 0 HB THR A 470 2.965 -0.364 2.817 1.00 0.00 H new ATOM 0 HG1 THR A 470 4.650 0.816 3.381 1.00 0.00 H new ATOM 0 HG21 THR A 470 4.606 -1.283 1.204 1.00 0.00 H new ATOM 0 HG22 THR A 470 2.949 -1.264 0.556 1.00 0.00 H new ATOM 0 HG23 THR A 470 4.123 -0.033 0.033 1.00 0.00 H new ATOM 657 N LYS A 471 1.594 2.193 3.729 1.00 0.00 N ATOM 658 CA LYS A 471 0.738 2.439 4.880 1.00 0.00 C ATOM 659 C LYS A 471 -0.601 2.996 4.422 1.00 0.00 C ATOM 660 O LYS A 471 -1.654 2.433 4.707 1.00 0.00 O ATOM 661 CB LYS A 471 1.405 3.416 5.850 1.00 0.00 C ATOM 662 CG LYS A 471 2.876 3.124 6.097 1.00 0.00 C ATOM 663 CD LYS A 471 3.771 4.024 5.262 1.00 0.00 C ATOM 664 CE LYS A 471 4.955 3.262 4.689 1.00 0.00 C ATOM 665 NZ LYS A 471 5.023 3.376 3.206 1.00 0.00 N ATOM 0 H LYS A 471 2.464 2.725 3.724 1.00 0.00 H new ATOM 0 HA LYS A 471 0.575 1.494 5.398 1.00 0.00 H new ATOM 0 HB2 LYS A 471 1.306 4.428 5.458 1.00 0.00 H new ATOM 0 HB3 LYS A 471 0.874 3.389 6.801 1.00 0.00 H new ATOM 0 HG2 LYS A 471 3.103 3.263 7.154 1.00 0.00 H new ATOM 0 HG3 LYS A 471 3.085 2.081 5.861 1.00 0.00 H new ATOM 0 HD2 LYS A 471 3.191 4.461 4.449 1.00 0.00 H new ATOM 0 HD3 LYS A 471 4.132 4.849 5.876 1.00 0.00 H new ATOM 0 HE2 LYS A 471 5.878 3.644 5.125 1.00 0.00 H new ATOM 0 HE3 LYS A 471 4.881 2.211 4.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 4.924 2.432 2.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 4.254 3.990 2.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 5.939 3.785 2.931 1.00 0.00 H new ATOM 679 N ASP A 472 -0.548 4.104 3.701 1.00 0.00 N ATOM 680 CA ASP A 472 -1.753 4.747 3.195 1.00 0.00 C ATOM 681 C ASP A 472 -2.591 3.797 2.335 1.00 0.00 C ATOM 682 O ASP A 472 -3.779 4.040 2.122 1.00 0.00 O ATOM 683 CB ASP A 472 -1.381 5.992 2.387 1.00 0.00 C ATOM 684 CG ASP A 472 -2.598 6.724 1.854 1.00 0.00 C ATOM 685 OD1 ASP A 472 -3.310 7.359 2.660 1.00 0.00 O ATOM 686 OD2 ASP A 472 -2.839 6.660 0.629 1.00 0.00 O ATOM 0 H ASP A 472 0.319 4.579 3.451 1.00 0.00 H new ATOM 0 HA ASP A 472 -2.359 5.034 4.054 1.00 0.00 H new ATOM 0 HB2 ASP A 472 -0.800 6.668 3.014 1.00 0.00 H new ATOM 0 HB3 ASP A 472 -0.741 5.702 1.553 1.00 0.00 H new ATOM 691 N LEU A 473 -1.980 2.725 1.826 1.00 0.00 N ATOM 692 CA LEU A 473 -2.708 1.780 0.981 1.00 0.00 C ATOM 693 C LEU A 473 -3.521 0.777 1.794 1.00 0.00 C ATOM 694 O LEU A 473 -4.617 0.391 1.395 1.00 0.00 O ATOM 695 CB LEU A 473 -1.762 1.031 0.056 1.00 0.00 C ATOM 696 CG LEU A 473 -1.116 1.870 -1.028 1.00 0.00 C ATOM 697 CD1 LEU A 473 0.299 1.389 -1.289 1.00 0.00 C ATOM 698 CD2 LEU A 473 -1.949 1.802 -2.300 1.00 0.00 C ATOM 0 H LEU A 473 -0.999 2.493 1.981 1.00 0.00 H new ATOM 0 HA LEU A 473 -3.402 2.375 0.387 1.00 0.00 H new ATOM 0 HB2 LEU A 473 -0.975 0.577 0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -2.311 0.217 -0.417 1.00 0.00 H new ATOM 0 HG LEU A 473 -1.070 2.907 -0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 473 0.753 2.000 -2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 473 0.887 1.474 -0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 473 0.276 0.348 -1.610 1.00 0.00 H new ATOM 0 HD21 LEU A 473 -1.479 2.407 -3.075 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -2.015 0.768 -2.637 1.00 0.00 H new ATOM 0 HD23 LEU A 473 -2.951 2.183 -2.100 1.00 0.00 H new ATOM 710 N LEU A 474 -2.970 0.335 2.914 1.00 0.00 N ATOM 711 CA LEU A 474 -3.648 -0.648 3.755 1.00 0.00 C ATOM 712 C LEU A 474 -4.650 -0.003 4.711 1.00 0.00 C ATOM 713 O LEU A 474 -5.753 -0.517 4.897 1.00 0.00 O ATOM 714 CB LEU A 474 -2.647 -1.497 4.544 1.00 0.00 C ATOM 715 CG LEU A 474 -1.484 -0.724 5.151 1.00 0.00 C ATOM 716 CD1 LEU A 474 -1.568 -0.727 6.671 1.00 0.00 C ATOM 717 CD2 LEU A 474 -0.156 -1.303 4.685 1.00 0.00 C ATOM 0 H LEU A 474 -2.060 0.637 3.263 1.00 0.00 H new ATOM 0 HA LEU A 474 -4.202 -1.297 3.077 1.00 0.00 H new ATOM 0 HB2 LEU A 474 -3.180 -2.009 5.345 1.00 0.00 H new ATOM 0 HB3 LEU A 474 -2.247 -2.267 3.884 1.00 0.00 H new ATOM 0 HG LEU A 474 -1.546 0.309 4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -0.727 -0.169 7.083 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -2.502 -0.260 6.985 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -1.535 -1.754 7.035 1.00 0.00 H new ATOM 0 HD21 LEU A 474 0.663 -0.738 5.129 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -0.086 -2.346 4.993 1.00 0.00 H new ATOM 0 HD23 LEU A 474 -0.093 -1.240 3.599 1.00 0.00 H new ATOM 729 N LYS A 475 -4.268 1.116 5.323 1.00 0.00 N ATOM 730 CA LYS A 475 -5.140 1.812 6.261 1.00 0.00 C ATOM 731 C LYS A 475 -6.551 1.975 5.702 1.00 0.00 C ATOM 732 O LYS A 475 -7.521 2.054 6.457 1.00 0.00 O ATOM 733 CB LYS A 475 -4.541 3.172 6.605 1.00 0.00 C ATOM 734 CG LYS A 475 -3.148 3.066 7.198 1.00 0.00 C ATOM 735 CD LYS A 475 -3.147 2.228 8.461 1.00 0.00 C ATOM 736 CE LYS A 475 -1.929 2.518 9.324 1.00 0.00 C ATOM 737 NZ LYS A 475 -0.810 1.579 9.039 1.00 0.00 N ATOM 0 H LYS A 475 -3.360 1.559 5.185 1.00 0.00 H new ATOM 0 HA LYS A 475 -5.217 1.210 7.167 1.00 0.00 H new ATOM 0 HB2 LYS A 475 -4.502 3.785 5.705 1.00 0.00 H new ATOM 0 HB3 LYS A 475 -5.194 3.684 7.312 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -2.472 2.624 6.466 1.00 0.00 H new ATOM 0 HG3 LYS A 475 -2.769 4.063 7.421 1.00 0.00 H new ATOM 0 HD2 LYS A 475 -4.054 2.428 9.032 1.00 0.00 H new ATOM 0 HD3 LYS A 475 -3.163 1.171 8.197 1.00 0.00 H new ATOM 0 HE2 LYS A 475 -1.597 3.542 9.151 1.00 0.00 H new ATOM 0 HE3 LYS A 475 -2.204 2.446 10.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 -0.166 1.548 9.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 -1.191 0.628 8.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 -0.289 1.904 8.200 1.00 0.00 H new ATOM 751 N LYS A 476 -6.662 2.020 4.379 1.00 0.00 N ATOM 752 CA LYS A 476 -7.958 2.166 3.733 1.00 0.00 C ATOM 753 C LYS A 476 -8.617 0.804 3.513 1.00 0.00 C ATOM 754 O LYS A 476 -9.825 0.653 3.700 1.00 0.00 O ATOM 755 CB LYS A 476 -7.826 2.913 2.402 1.00 0.00 C ATOM 756 CG LYS A 476 -6.635 2.476 1.569 1.00 0.00 C ATOM 757 CD LYS A 476 -6.958 2.491 0.084 1.00 0.00 C ATOM 758 CE LYS A 476 -7.638 1.204 -0.350 1.00 0.00 C ATOM 759 NZ LYS A 476 -9.104 1.385 -0.542 1.00 0.00 N ATOM 0 H LYS A 476 -5.872 1.958 3.736 1.00 0.00 H new ATOM 0 HA LYS A 476 -8.594 2.753 4.396 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -8.737 2.766 1.822 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -7.745 3.981 2.602 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -5.790 3.137 1.765 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -6.331 1.472 1.866 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -7.605 3.339 -0.140 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -6.040 2.630 -0.488 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -7.191 0.854 -1.280 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -7.463 0.431 0.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -9.475 0.612 -1.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -9.579 1.375 0.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -9.283 2.295 -1.013 1.00 0.00 H new ATOM 773 N PHE A 477 -7.817 -0.187 3.119 1.00 0.00 N ATOM 774 CA PHE A 477 -8.317 -1.532 2.880 1.00 0.00 C ATOM 775 C PHE A 477 -8.609 -2.273 4.186 1.00 0.00 C ATOM 776 O PHE A 477 -9.033 -3.428 4.166 1.00 0.00 O ATOM 777 CB PHE A 477 -7.289 -2.317 2.075 1.00 0.00 C ATOM 778 CG PHE A 477 -7.348 -2.058 0.600 1.00 0.00 C ATOM 779 CD1 PHE A 477 -8.529 -2.228 -0.105 1.00 0.00 C ATOM 780 CD2 PHE A 477 -6.218 -1.648 -0.083 1.00 0.00 C ATOM 781 CE1 PHE A 477 -8.578 -1.992 -1.464 1.00 0.00 C ATOM 782 CE2 PHE A 477 -6.260 -1.413 -1.439 1.00 0.00 C ATOM 783 CZ PHE A 477 -7.442 -1.584 -2.133 1.00 0.00 C ATOM 0 H PHE A 477 -6.816 -0.078 2.959 1.00 0.00 H new ATOM 0 HA PHE A 477 -9.252 -1.447 2.327 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -6.291 -2.070 2.438 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -7.438 -3.382 2.253 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -9.420 -2.548 0.414 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -5.291 -1.510 0.454 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -9.504 -2.126 -2.003 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -5.369 -1.095 -1.960 1.00 0.00 H new ATOM 0 HZ PHE A 477 -7.477 -1.399 -3.196 1.00 0.00 H new ATOM 889 N LEU A 484 -10.852 -7.078 6.083 1.00 0.00 N ATOM 890 CA LEU A 484 -9.499 -7.604 6.088 1.00 0.00 C ATOM 891 C LEU A 484 -8.687 -7.038 7.246 1.00 0.00 C ATOM 892 O LEU A 484 -8.574 -5.822 7.406 1.00 0.00 O ATOM 893 CB LEU A 484 -8.818 -7.284 4.754 1.00 0.00 C ATOM 894 CG LEU A 484 -7.719 -8.258 4.322 1.00 0.00 C ATOM 895 CD1 LEU A 484 -8.197 -9.698 4.440 1.00 0.00 C ATOM 896 CD2 LEU A 484 -7.284 -7.956 2.896 1.00 0.00 C ATOM 0 HA LEU A 484 -9.551 -8.685 6.219 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -9.580 -7.256 3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -8.389 -6.284 4.816 1.00 0.00 H new ATOM 0 HG LEU A 484 -6.863 -8.130 4.985 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -7.400 -10.373 4.128 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -8.466 -9.908 5.475 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -9.068 -9.846 3.802 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -6.502 -8.655 2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -8.137 -8.060 2.226 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -6.901 -6.937 2.841 1.00 0.00 H new ATOM 908 N SER A 485 -8.122 -7.933 8.050 1.00 0.00 N ATOM 909 CA SER A 485 -7.314 -7.540 9.201 1.00 0.00 C ATOM 910 C SER A 485 -6.292 -6.475 8.825 1.00 0.00 C ATOM 911 O SER A 485 -5.732 -6.496 7.729 1.00 0.00 O ATOM 912 CB SER A 485 -6.594 -8.757 9.777 1.00 0.00 C ATOM 913 OG SER A 485 -6.948 -8.967 11.132 1.00 0.00 O ATOM 0 H SER A 485 -8.209 -8.942 7.925 1.00 0.00 H new ATOM 0 HA SER A 485 -7.986 -7.122 9.951 1.00 0.00 H new ATOM 0 HB2 SER A 485 -6.844 -9.642 9.192 1.00 0.00 H new ATOM 0 HB3 SER A 485 -5.516 -8.617 9.697 1.00 0.00 H new ATOM 0 HG SER A 485 -6.474 -9.753 11.476 1.00 0.00 H new ATOM 919 N SER A 486 -6.044 -5.551 9.746 1.00 0.00 N ATOM 920 CA SER A 486 -5.078 -4.485 9.515 1.00 0.00 C ATOM 921 C SER A 486 -3.693 -5.061 9.232 1.00 0.00 C ATOM 922 O SER A 486 -2.834 -4.386 8.666 1.00 0.00 O ATOM 923 CB SER A 486 -5.019 -3.548 10.722 1.00 0.00 C ATOM 924 OG SER A 486 -4.110 -2.484 10.498 1.00 0.00 O ATOM 0 H SER A 486 -6.498 -5.519 10.659 1.00 0.00 H new ATOM 0 HA SER A 486 -5.402 -3.917 8.643 1.00 0.00 H new ATOM 0 HB2 SER A 486 -6.012 -3.146 10.923 1.00 0.00 H new ATOM 0 HB3 SER A 486 -4.717 -4.108 11.607 1.00 0.00 H new ATOM 0 HG SER A 486 -4.092 -1.898 11.284 1.00 0.00 H new ATOM 930 N GLU A 487 -3.483 -6.312 9.634 1.00 0.00 N ATOM 931 CA GLU A 487 -2.208 -6.980 9.430 1.00 0.00 C ATOM 932 C GLU A 487 -2.220 -7.804 8.150 1.00 0.00 C ATOM 933 O GLU A 487 -1.263 -7.783 7.376 1.00 0.00 O ATOM 934 CB GLU A 487 -1.871 -7.877 10.624 1.00 0.00 C ATOM 935 CG GLU A 487 -2.348 -7.325 11.959 1.00 0.00 C ATOM 936 CD GLU A 487 -1.860 -8.145 13.137 1.00 0.00 C ATOM 937 OE1 GLU A 487 -1.976 -9.387 13.084 1.00 0.00 O ATOM 938 OE2 GLU A 487 -1.362 -7.544 14.113 1.00 0.00 O ATOM 0 H GLU A 487 -4.185 -6.883 10.105 1.00 0.00 H new ATOM 0 HA GLU A 487 -1.442 -6.210 9.338 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -2.318 -8.859 10.467 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -0.791 -8.021 10.665 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -2.001 -6.297 12.068 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -3.438 -7.296 11.968 1.00 0.00 H new ATOM 945 N GLN A 488 -3.311 -8.521 7.934 1.00 0.00 N ATOM 946 CA GLN A 488 -3.452 -9.349 6.745 1.00 0.00 C ATOM 947 C GLN A 488 -3.582 -8.474 5.509 1.00 0.00 C ATOM 948 O GLN A 488 -2.989 -8.760 4.469 1.00 0.00 O ATOM 949 CB GLN A 488 -4.660 -10.280 6.867 1.00 0.00 C ATOM 950 CG GLN A 488 -4.279 -11.717 7.175 1.00 0.00 C ATOM 951 CD GLN A 488 -5.444 -12.674 7.024 1.00 0.00 C ATOM 952 OE1 GLN A 488 -5.346 -13.688 6.332 1.00 0.00 O ATOM 953 NE2 GLN A 488 -6.559 -12.357 7.673 1.00 0.00 N ATOM 0 H GLN A 488 -4.112 -8.547 8.565 1.00 0.00 H new ATOM 0 HA GLN A 488 -2.558 -9.965 6.649 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -5.318 -9.909 7.653 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -5.227 -10.253 5.936 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -3.472 -12.025 6.511 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -3.894 -11.777 8.193 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -6.598 -11.507 8.236 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -7.377 -12.964 7.609 1.00 0.00 H new ATOM 962 N THR A 489 -4.342 -7.389 5.635 1.00 0.00 N ATOM 963 CA THR A 489 -4.522 -6.458 4.527 1.00 0.00 C ATOM 964 C THR A 489 -3.163 -6.063 3.963 1.00 0.00 C ATOM 965 O THR A 489 -3.031 -5.760 2.781 1.00 0.00 O ATOM 966 CB THR A 489 -5.277 -5.210 4.987 1.00 0.00 C ATOM 967 OG1 THR A 489 -6.500 -5.562 5.604 1.00 0.00 O ATOM 968 CG2 THR A 489 -5.590 -4.251 3.860 1.00 0.00 C ATOM 0 H THR A 489 -4.840 -7.135 6.488 1.00 0.00 H new ATOM 0 HA THR A 489 -5.109 -6.949 3.751 1.00 0.00 H new ATOM 0 HB THR A 489 -4.610 -4.713 5.691 1.00 0.00 H new ATOM 0 HG1 THR A 489 -6.392 -5.543 6.578 1.00 0.00 H new ATOM 0 HG21 THR A 489 -6.126 -3.388 4.255 1.00 0.00 H new ATOM 0 HG22 THR A 489 -4.661 -3.920 3.395 1.00 0.00 H new ATOM 0 HG23 THR A 489 -6.209 -4.753 3.116 1.00 0.00 H new ATOM 976 N VAL A 490 -2.155 -6.086 4.829 1.00 0.00 N ATOM 977 CA VAL A 490 -0.793 -5.748 4.437 1.00 0.00 C ATOM 978 C VAL A 490 -0.115 -6.946 3.789 1.00 0.00 C ATOM 979 O VAL A 490 0.576 -6.818 2.778 1.00 0.00 O ATOM 980 CB VAL A 490 0.036 -5.300 5.652 1.00 0.00 C ATOM 981 CG1 VAL A 490 1.294 -4.569 5.211 1.00 0.00 C ATOM 982 CG2 VAL A 490 -0.804 -4.427 6.566 1.00 0.00 C ATOM 0 H VAL A 490 -2.258 -6.337 5.812 1.00 0.00 H new ATOM 0 HA VAL A 490 -0.849 -4.927 3.723 1.00 0.00 H new ATOM 0 HB VAL A 490 0.344 -6.187 6.206 1.00 0.00 H new ATOM 0 HG11 VAL A 490 1.863 -4.262 6.089 1.00 0.00 H new ATOM 0 HG12 VAL A 490 1.903 -5.232 4.597 1.00 0.00 H new ATOM 0 HG13 VAL A 490 1.019 -3.688 4.631 1.00 0.00 H new ATOM 0 HG21 VAL A 490 -0.206 -4.116 7.423 1.00 0.00 H new ATOM 0 HG22 VAL A 490 -1.141 -3.546 6.019 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -1.670 -4.991 6.913 1.00 0.00 H new ATOM 992 N ASN A 491 -0.336 -8.115 4.378 1.00 0.00 N ATOM 993 CA ASN A 491 0.229 -9.357 3.870 1.00 0.00 C ATOM 994 C ASN A 491 -0.245 -9.609 2.440 1.00 0.00 C ATOM 995 O ASN A 491 0.446 -10.247 1.646 1.00 0.00 O ATOM 996 CB ASN A 491 -0.173 -10.512 4.795 1.00 0.00 C ATOM 997 CG ASN A 491 -0.133 -11.870 4.116 1.00 0.00 C ATOM 998 OD1 ASN A 491 0.920 -12.327 3.675 1.00 0.00 O ATOM 999 ND2 ASN A 491 -1.291 -12.517 4.031 1.00 0.00 N ATOM 0 H ASN A 491 -0.908 -8.228 5.215 1.00 0.00 H new ATOM 0 HA ASN A 491 1.316 -9.283 3.852 1.00 0.00 H new ATOM 0 HB2 ASN A 491 0.493 -10.526 5.658 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -1.180 -10.332 5.172 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -1.332 -13.433 3.585 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -2.139 -12.097 4.412 1.00 0.00 H new ATOM 1006 N VAL A 492 -1.427 -9.094 2.123 1.00 0.00 N ATOM 1007 CA VAL A 492 -2.006 -9.244 0.796 1.00 0.00 C ATOM 1008 C VAL A 492 -1.839 -7.964 -0.023 1.00 0.00 C ATOM 1009 O VAL A 492 -2.158 -7.931 -1.209 1.00 0.00 O ATOM 1010 CB VAL A 492 -3.504 -9.590 0.892 1.00 0.00 C ATOM 1011 CG1 VAL A 492 -4.229 -8.541 1.722 1.00 0.00 C ATOM 1012 CG2 VAL A 492 -4.122 -9.716 -0.494 1.00 0.00 C ATOM 0 H VAL A 492 -2.007 -8.565 2.774 1.00 0.00 H new ATOM 0 HA VAL A 492 -1.477 -10.057 0.298 1.00 0.00 H new ATOM 0 HB VAL A 492 -3.609 -10.555 1.388 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -5.287 -8.794 1.784 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -3.803 -8.512 2.725 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -4.117 -7.564 1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -5.180 -9.961 -0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -4.014 -8.772 -1.028 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -3.615 -10.506 -1.048 1.00 0.00 H new ATOM 1022 N LEU A 493 -1.348 -6.910 0.619 1.00 0.00 N ATOM 1023 CA LEU A 493 -1.149 -5.634 -0.044 1.00 0.00 C ATOM 1024 C LEU A 493 0.277 -5.507 -0.563 1.00 0.00 C ATOM 1025 O LEU A 493 0.500 -5.077 -1.695 1.00 0.00 O ATOM 1026 CB LEU A 493 -1.461 -4.488 0.927 1.00 0.00 C ATOM 1027 CG LEU A 493 -1.182 -3.079 0.401 1.00 0.00 C ATOM 1028 CD1 LEU A 493 -1.691 -2.921 -1.023 1.00 0.00 C ATOM 1029 CD2 LEU A 493 -1.819 -2.042 1.315 1.00 0.00 C ATOM 0 H LEU A 493 -1.080 -6.918 1.603 1.00 0.00 H new ATOM 0 HA LEU A 493 -1.827 -5.579 -0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.513 -4.550 1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -0.879 -4.638 1.837 1.00 0.00 H new ATOM 0 HG LEU A 493 -0.103 -2.922 0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -1.481 -1.911 -1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -1.191 -3.642 -1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -2.766 -3.097 -1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -1.614 -1.043 0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -2.897 -2.202 1.352 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -1.404 -2.137 2.318 1.00 0.00 H new ATOM 1041 N ALA A 494 1.240 -5.885 0.270 1.00 0.00 N ATOM 1042 CA ALA A 494 2.649 -5.811 -0.102 1.00 0.00 C ATOM 1043 C ALA A 494 2.904 -6.502 -1.437 1.00 0.00 C ATOM 1044 O ALA A 494 3.715 -6.040 -2.239 1.00 0.00 O ATOM 1045 CB ALA A 494 3.518 -6.430 0.983 1.00 0.00 C ATOM 0 H ALA A 494 1.071 -6.246 1.209 1.00 0.00 H new ATOM 0 HA ALA A 494 2.912 -4.759 -0.209 1.00 0.00 H new ATOM 0 HB1 ALA A 494 4.566 -6.367 0.690 1.00 0.00 H new ATOM 0 HB2 ALA A 494 3.370 -5.892 1.919 1.00 0.00 H new ATOM 0 HB3 ALA A 494 3.242 -7.476 1.118 1.00 0.00 H new ATOM 1051 N GLN A 495 2.218 -7.616 -1.660 1.00 0.00 N ATOM 1052 CA GLN A 495 2.375 -8.381 -2.885 1.00 0.00 C ATOM 1053 C GLN A 495 1.991 -7.572 -4.124 1.00 0.00 C ATOM 1054 O GLN A 495 2.644 -7.669 -5.162 1.00 0.00 O ATOM 1055 CB GLN A 495 1.543 -9.658 -2.814 1.00 0.00 C ATOM 1056 CG GLN A 495 0.203 -9.475 -2.141 1.00 0.00 C ATOM 1057 CD GLN A 495 -0.941 -10.068 -2.941 1.00 0.00 C ATOM 1058 OE1 GLN A 495 -1.909 -9.233 -3.290 1.00 0.00 O flip ATOM 1059 NE2 GLN A 495 -0.953 -11.261 -3.241 1.00 0.00 N flip ATOM 0 H GLN A 495 1.544 -8.009 -1.003 1.00 0.00 H new ATOM 0 HA GLN A 495 3.431 -8.636 -2.978 1.00 0.00 H new ATOM 0 HB2 GLN A 495 1.383 -10.033 -3.825 1.00 0.00 H new ATOM 0 HB3 GLN A 495 2.108 -10.420 -2.277 1.00 0.00 H new ATOM 0 HG2 GLN A 495 0.230 -9.939 -1.155 1.00 0.00 H new ATOM 0 HG3 GLN A 495 0.020 -8.411 -1.988 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -0.186 -11.868 -2.951 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -1.730 -11.644 -3.780 1.00 0.00 H new ATOM 1068 N ILE A 496 0.923 -6.793 -4.016 1.00 0.00 N ATOM 1069 CA ILE A 496 0.446 -5.989 -5.136 1.00 0.00 C ATOM 1070 C ILE A 496 1.320 -4.760 -5.394 1.00 0.00 C ATOM 1071 O ILE A 496 1.710 -4.486 -6.527 1.00 0.00 O ATOM 1072 CB ILE A 496 -1.000 -5.514 -4.898 1.00 0.00 C ATOM 1073 CG1 ILE A 496 -1.977 -6.677 -5.058 1.00 0.00 C ATOM 1074 CG2 ILE A 496 -1.348 -4.386 -5.856 1.00 0.00 C ATOM 1075 CD1 ILE A 496 -3.173 -6.591 -4.133 1.00 0.00 C ATOM 0 H ILE A 496 0.370 -6.700 -3.164 1.00 0.00 H new ATOM 0 HA ILE A 496 0.493 -6.639 -6.010 1.00 0.00 H new ATOM 0 HB ILE A 496 -1.080 -5.138 -3.878 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -2.327 -6.708 -6.090 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -1.450 -7.613 -4.872 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -2.373 -4.060 -5.677 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -0.668 -3.550 -5.696 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -1.254 -4.739 -6.883 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -3.825 -7.448 -4.300 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -2.833 -6.590 -3.097 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -3.723 -5.672 -4.335 1.00 0.00 H new ATOM 1087 N LEU A 497 1.583 -4.007 -4.336 1.00 0.00 N ATOM 1088 CA LEU A 497 2.368 -2.779 -4.410 1.00 0.00 C ATOM 1089 C LEU A 497 3.455 -2.815 -5.488 1.00 0.00 C ATOM 1090 O LEU A 497 3.661 -1.836 -6.205 1.00 0.00 O ATOM 1091 CB LEU A 497 3.009 -2.524 -3.049 1.00 0.00 C ATOM 1092 CG LEU A 497 2.340 -1.453 -2.189 1.00 0.00 C ATOM 1093 CD1 LEU A 497 1.978 -0.225 -3.012 1.00 0.00 C ATOM 1094 CD2 LEU A 497 1.109 -2.019 -1.504 1.00 0.00 C ATOM 0 H LEU A 497 1.257 -4.230 -3.396 1.00 0.00 H new ATOM 0 HA LEU A 497 1.686 -1.975 -4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 497 3.015 -3.460 -2.490 1.00 0.00 H new ATOM 0 HB3 LEU A 497 4.049 -2.239 -3.206 1.00 0.00 H new ATOM 0 HG LEU A 497 3.054 -1.141 -1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 497 1.504 0.517 -2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 497 2.882 0.199 -3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 497 1.289 -0.510 -3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 497 0.643 -1.244 -0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 497 0.400 -2.364 -2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 497 1.399 -2.855 -0.868 1.00 0.00 H new ATOM 1106 N LYS A 498 4.172 -3.926 -5.568 1.00 0.00 N ATOM 1107 CA LYS A 498 5.271 -4.063 -6.526 1.00 0.00 C ATOM 1108 C LYS A 498 4.797 -4.154 -7.967 1.00 0.00 C ATOM 1109 O LYS A 498 5.431 -3.613 -8.873 1.00 0.00 O ATOM 1110 CB LYS A 498 6.128 -5.278 -6.197 1.00 0.00 C ATOM 1111 CG LYS A 498 6.255 -5.549 -4.713 1.00 0.00 C ATOM 1112 CD LYS A 498 5.677 -6.897 -4.336 1.00 0.00 C ATOM 1113 CE LYS A 498 6.422 -7.455 -3.136 1.00 0.00 C ATOM 1114 NZ LYS A 498 5.617 -8.450 -2.379 1.00 0.00 N ATOM 0 H LYS A 498 4.017 -4.748 -4.984 1.00 0.00 H new ATOM 0 HA LYS A 498 5.865 -3.154 -6.433 1.00 0.00 H new ATOM 0 HB2 LYS A 498 5.700 -6.155 -6.682 1.00 0.00 H new ATOM 0 HB3 LYS A 498 7.123 -5.134 -6.618 1.00 0.00 H new ATOM 0 HG2 LYS A 498 7.306 -5.511 -4.425 1.00 0.00 H new ATOM 0 HG3 LYS A 498 5.743 -4.765 -4.155 1.00 0.00 H new ATOM 0 HD2 LYS A 498 4.617 -6.797 -4.104 1.00 0.00 H new ATOM 0 HD3 LYS A 498 5.755 -7.585 -5.177 1.00 0.00 H new ATOM 0 HE2 LYS A 498 7.348 -7.922 -3.472 1.00 0.00 H new ATOM 0 HE3 LYS A 498 6.700 -6.636 -2.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 6.232 -8.959 -1.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 4.866 -7.960 -1.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 5.189 -9.127 -3.042 1.00 0.00 H new ATOM 1128 N ARG A 499 3.695 -4.844 -8.178 1.00 0.00 N ATOM 1129 CA ARG A 499 3.152 -5.008 -9.526 1.00 0.00 C ATOM 1130 C ARG A 499 2.847 -3.650 -10.150 1.00 0.00 C ATOM 1131 O ARG A 499 2.746 -3.522 -11.370 1.00 0.00 O ATOM 1132 CB ARG A 499 1.886 -5.868 -9.514 1.00 0.00 C ATOM 1133 CG ARG A 499 1.812 -6.865 -8.367 1.00 0.00 C ATOM 1134 CD ARG A 499 3.093 -7.662 -8.207 1.00 0.00 C ATOM 1135 NE ARG A 499 3.584 -8.180 -9.483 1.00 0.00 N ATOM 1136 CZ ARG A 499 4.753 -7.847 -10.031 1.00 0.00 C ATOM 1137 NH1 ARG A 499 5.566 -6.989 -9.426 1.00 0.00 N ATOM 1138 NH2 ARG A 499 5.111 -8.376 -11.193 1.00 0.00 N ATOM 0 H ARG A 499 3.155 -5.301 -7.443 1.00 0.00 H new ATOM 0 HA ARG A 499 3.908 -5.516 -10.126 1.00 0.00 H new ATOM 0 HB2 ARG A 499 1.017 -5.212 -9.465 1.00 0.00 H new ATOM 0 HB3 ARG A 499 1.822 -6.412 -10.456 1.00 0.00 H new ATOM 0 HG2 ARG A 499 1.601 -6.332 -7.440 1.00 0.00 H new ATOM 0 HG3 ARG A 499 0.981 -7.549 -8.538 1.00 0.00 H new ATOM 0 HD2 ARG A 499 3.858 -7.031 -7.755 1.00 0.00 H new ATOM 0 HD3 ARG A 499 2.919 -8.492 -7.522 1.00 0.00 H new ATOM 0 HE ARG A 499 2.993 -8.840 -9.988 1.00 0.00 H new ATOM 0 HH11 ARG A 499 5.299 -6.577 -8.532 1.00 0.00 H new ATOM 0 HH12 ARG A 499 6.458 -6.742 -9.855 1.00 0.00 H new ATOM 0 HH21 ARG A 499 4.493 -9.036 -11.665 1.00 0.00 H new ATOM 0 HH22 ARG A 499 6.005 -8.123 -11.615 1.00 0.00 H new ATOM 1152 N LEU A 500 2.698 -2.645 -9.298 1.00 0.00 N ATOM 1153 CA LEU A 500 2.399 -1.292 -9.743 1.00 0.00 C ATOM 1154 C LEU A 500 3.455 -0.765 -10.702 1.00 0.00 C ATOM 1155 O LEU A 500 3.137 -0.208 -11.753 1.00 0.00 O ATOM 1156 CB LEU A 500 2.297 -0.363 -8.535 1.00 0.00 C ATOM 1157 CG LEU A 500 1.273 -0.779 -7.475 1.00 0.00 C ATOM 1158 CD1 LEU A 500 1.208 0.259 -6.365 1.00 0.00 C ATOM 1159 CD2 LEU A 500 -0.100 -0.983 -8.099 1.00 0.00 C ATOM 0 H LEU A 500 2.780 -2.744 -8.286 1.00 0.00 H new ATOM 0 HA LEU A 500 1.448 -1.321 -10.275 1.00 0.00 H new ATOM 0 HB2 LEU A 500 3.278 -0.298 -8.064 1.00 0.00 H new ATOM 0 HB3 LEU A 500 2.045 0.637 -8.887 1.00 0.00 H new ATOM 0 HG LEU A 500 1.593 -1.728 -7.044 1.00 0.00 H new ATOM 0 HD11 LEU A 500 0.476 -0.051 -5.619 1.00 0.00 H new ATOM 0 HD12 LEU A 500 2.187 0.351 -5.895 1.00 0.00 H new ATOM 0 HD13 LEU A 500 0.914 1.222 -6.784 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -0.810 -1.278 -7.327 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -0.432 -0.053 -8.561 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -0.043 -1.764 -8.857 1.00 0.00 H new ATOM 1171 N ASN A 501 4.711 -0.934 -10.326 1.00 0.00 N ATOM 1172 CA ASN A 501 5.823 -0.468 -11.137 1.00 0.00 C ATOM 1173 C ASN A 501 5.743 1.049 -11.319 1.00 0.00 C ATOM 1174 O ASN A 501 5.662 1.551 -12.439 1.00 0.00 O ATOM 1175 CB ASN A 501 5.813 -1.182 -12.489 1.00 0.00 C ATOM 1176 CG ASN A 501 6.866 -0.663 -13.443 1.00 0.00 C ATOM 1177 OD1 ASN A 501 6.606 0.224 -14.256 1.00 0.00 O ATOM 1178 ND2 ASN A 501 8.063 -1.222 -13.348 1.00 0.00 N ATOM 0 H ASN A 501 4.987 -1.394 -9.458 1.00 0.00 H new ATOM 0 HA ASN A 501 6.760 -0.700 -10.631 1.00 0.00 H new ATOM 0 HB2 ASN A 501 5.969 -2.249 -12.331 1.00 0.00 H new ATOM 0 HB3 ASN A 501 4.830 -1.068 -12.946 1.00 0.00 H new ATOM 0 HD21 ASN A 501 8.817 -0.920 -13.965 1.00 0.00 H new ATOM 0 HD22 ASN A 501 8.231 -1.954 -12.658 1.00 0.00 H new ATOM 1185 N PRO A 502 5.757 1.797 -10.201 1.00 0.00 N ATOM 1186 CA PRO A 502 5.682 3.244 -10.189 1.00 0.00 C ATOM 1187 C PRO A 502 7.044 3.881 -9.978 1.00 0.00 C ATOM 1188 O PRO A 502 8.079 3.232 -10.133 1.00 0.00 O ATOM 1189 CB PRO A 502 4.796 3.494 -8.968 1.00 0.00 C ATOM 1190 CG PRO A 502 4.993 2.303 -8.071 1.00 0.00 C ATOM 1191 CD PRO A 502 5.841 1.308 -8.827 1.00 0.00 C ATOM 0 HA PRO A 502 5.310 3.662 -11.124 1.00 0.00 H new ATOM 0 HB2 PRO A 502 5.079 4.417 -8.461 1.00 0.00 H new ATOM 0 HB3 PRO A 502 3.750 3.597 -9.258 1.00 0.00 H new ATOM 0 HG2 PRO A 502 5.482 2.598 -7.142 1.00 0.00 H new ATOM 0 HG3 PRO A 502 4.033 1.863 -7.800 1.00 0.00 H new ATOM 0 HD2 PRO A 502 6.869 1.293 -8.464 1.00 0.00 H new ATOM 0 HD3 PRO A 502 5.455 0.293 -8.734 1.00 0.00 H new ATOM 1199 N GLU A 503 7.033 5.147 -9.602 1.00 0.00 N ATOM 1200 CA GLU A 503 8.249 5.877 -9.338 1.00 0.00 C ATOM 1201 C GLU A 503 8.232 6.386 -7.906 1.00 0.00 C ATOM 1202 O GLU A 503 7.197 6.836 -7.413 1.00 0.00 O ATOM 1203 CB GLU A 503 8.399 7.029 -10.324 1.00 0.00 C ATOM 1204 CG GLU A 503 9.502 6.806 -11.343 1.00 0.00 C ATOM 1205 CD GLU A 503 10.723 7.667 -11.078 1.00 0.00 C ATOM 1206 OE1 GLU A 503 11.144 7.756 -9.906 1.00 0.00 O ATOM 1207 OE2 GLU A 503 11.257 8.253 -12.043 1.00 0.00 O ATOM 0 H GLU A 503 6.181 5.692 -9.473 1.00 0.00 H new ATOM 0 HA GLU A 503 9.105 5.214 -9.465 1.00 0.00 H new ATOM 0 HB2 GLU A 503 7.454 7.176 -10.847 1.00 0.00 H new ATOM 0 HB3 GLU A 503 8.603 7.946 -9.772 1.00 0.00 H new ATOM 0 HG2 GLU A 503 9.793 5.756 -11.334 1.00 0.00 H new ATOM 0 HG3 GLU A 503 9.119 7.022 -12.341 1.00 0.00 H new ATOM 1214 N ARG A 504 9.365 6.292 -7.226 1.00 0.00 N ATOM 1215 CA ARG A 504 9.440 6.723 -5.841 1.00 0.00 C ATOM 1216 C ARG A 504 9.580 8.234 -5.718 1.00 0.00 C ATOM 1217 O ARG A 504 10.416 8.859 -6.371 1.00 0.00 O ATOM 1218 CB ARG A 504 10.590 6.032 -5.120 1.00 0.00 C ATOM 1219 CG ARG A 504 11.962 6.414 -5.649 1.00 0.00 C ATOM 1220 CD ARG A 504 12.536 7.605 -4.896 1.00 0.00 C ATOM 1221 NE ARG A 504 13.270 8.508 -5.780 1.00 0.00 N ATOM 1222 CZ ARG A 504 14.077 9.474 -5.347 1.00 0.00 C ATOM 1223 NH1 ARG A 504 14.256 9.666 -4.047 1.00 0.00 N ATOM 1224 NH2 ARG A 504 14.706 10.251 -6.219 1.00 0.00 N ATOM 0 H ARG A 504 10.237 5.925 -7.607 1.00 0.00 H new ATOM 0 HA ARG A 504 8.500 6.437 -5.369 1.00 0.00 H new ATOM 0 HB2 ARG A 504 10.539 6.275 -4.059 1.00 0.00 H new ATOM 0 HB3 ARG A 504 10.465 4.953 -5.207 1.00 0.00 H new ATOM 0 HG2 ARG A 504 12.638 5.564 -5.558 1.00 0.00 H new ATOM 0 HG3 ARG A 504 11.891 6.653 -6.710 1.00 0.00 H new ATOM 0 HD2 ARG A 504 11.727 8.151 -4.410 1.00 0.00 H new ATOM 0 HD3 ARG A 504 13.200 7.250 -4.108 1.00 0.00 H new ATOM 0 HE ARG A 504 13.157 8.391 -6.787 1.00 0.00 H new ATOM 0 HH11 ARG A 504 13.774 9.072 -3.373 1.00 0.00 H new ATOM 0 HH12 ARG A 504 14.876 10.408 -3.722 1.00 0.00 H new ATOM 0 HH21 ARG A 504 14.571 10.108 -7.220 1.00 0.00 H new ATOM 0 HH22 ARG A 504 15.325 10.992 -5.889 1.00 0.00 H new ATOM 1238 N LYS A 505 8.748 8.797 -4.856 1.00 0.00 N ATOM 1239 CA LYS A 505 8.734 10.231 -4.587 1.00 0.00 C ATOM 1240 C LYS A 505 8.132 10.479 -3.212 1.00 0.00 C ATOM 1241 O LYS A 505 7.445 9.615 -2.669 1.00 0.00 O ATOM 1242 CB LYS A 505 7.936 10.986 -5.654 1.00 0.00 C ATOM 1243 CG LYS A 505 8.098 10.421 -7.055 1.00 0.00 C ATOM 1244 CD LYS A 505 7.236 11.170 -8.059 1.00 0.00 C ATOM 1245 CE LYS A 505 5.763 11.070 -7.705 1.00 0.00 C ATOM 1246 NZ LYS A 505 5.181 12.399 -7.366 1.00 0.00 N ATOM 0 H LYS A 505 8.059 8.271 -4.319 1.00 0.00 H new ATOM 0 HA LYS A 505 9.759 10.600 -4.613 1.00 0.00 H new ATOM 0 HB2 LYS A 505 6.880 10.968 -5.385 1.00 0.00 H new ATOM 0 HB3 LYS A 505 8.247 12.031 -5.655 1.00 0.00 H new ATOM 0 HG2 LYS A 505 9.144 10.482 -7.355 1.00 0.00 H new ATOM 0 HG3 LYS A 505 7.827 9.365 -7.057 1.00 0.00 H new ATOM 0 HD2 LYS A 505 7.535 12.218 -8.088 1.00 0.00 H new ATOM 0 HD3 LYS A 505 7.401 10.764 -9.057 1.00 0.00 H new ATOM 0 HE2 LYS A 505 5.217 10.638 -8.543 1.00 0.00 H new ATOM 0 HE3 LYS A 505 5.638 10.393 -6.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 4.174 12.287 -7.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 5.685 12.801 -6.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 5.277 13.038 -8.181 1.00 0.00 H new ATOM 1260 N MET A 506 8.392 11.642 -2.635 1.00 0.00 N ATOM 1261 CA MET A 506 7.865 11.942 -1.312 1.00 0.00 C ATOM 1262 C MET A 506 6.638 12.847 -1.364 1.00 0.00 C ATOM 1263 O MET A 506 6.742 14.041 -1.642 1.00 0.00 O ATOM 1264 CB MET A 506 8.943 12.586 -0.439 1.00 0.00 C ATOM 1265 CG MET A 506 9.599 13.804 -1.066 1.00 0.00 C ATOM 1266 SD MET A 506 9.899 15.124 0.128 1.00 0.00 S ATOM 1267 CE MET A 506 10.472 14.185 1.543 1.00 0.00 C ATOM 0 H MET A 506 8.955 12.383 -3.053 1.00 0.00 H new ATOM 0 HA MET A 506 7.556 10.993 -0.875 1.00 0.00 H new ATOM 0 HB2 MET A 506 8.500 12.875 0.514 1.00 0.00 H new ATOM 0 HB3 MET A 506 9.711 11.844 -0.221 1.00 0.00 H new ATOM 0 HG2 MET A 506 10.545 13.509 -1.521 1.00 0.00 H new ATOM 0 HG3 MET A 506 8.964 14.182 -1.867 1.00 0.00 H new ATOM 0 HE1 MET A 506 10.748 14.869 2.346 1.00 0.00 H new ATOM 0 HE2 MET A 506 9.677 13.524 1.887 1.00 0.00 H new ATOM 0 HE3 MET A 506 11.340 13.590 1.258 1.00 0.00 H new ATOM 1277 N ILE A 507 5.475 12.272 -1.057 1.00 0.00 N ATOM 1278 CA ILE A 507 4.232 13.033 -1.030 1.00 0.00 C ATOM 1279 C ILE A 507 4.018 13.612 0.368 1.00 0.00 C ATOM 1280 O ILE A 507 3.759 12.878 1.322 1.00 0.00 O ATOM 1281 CB ILE A 507 2.996 12.159 -1.399 1.00 0.00 C ATOM 1282 CG1 ILE A 507 2.923 11.850 -2.902 1.00 0.00 C ATOM 1283 CG2 ILE A 507 1.715 12.853 -0.972 1.00 0.00 C ATOM 1284 CD1 ILE A 507 3.906 12.630 -3.741 1.00 0.00 C ATOM 0 H ILE A 507 5.371 11.284 -0.825 1.00 0.00 H new ATOM 0 HA ILE A 507 4.323 13.826 -1.773 1.00 0.00 H new ATOM 0 HB ILE A 507 3.109 11.215 -0.867 1.00 0.00 H new ATOM 0 HG12 ILE A 507 3.099 10.785 -3.052 1.00 0.00 H new ATOM 0 HG13 ILE A 507 1.914 12.059 -3.256 1.00 0.00 H new ATOM 0 HG21 ILE A 507 0.859 12.232 -1.236 1.00 0.00 H new ATOM 0 HG22 ILE A 507 1.729 13.012 0.106 1.00 0.00 H new ATOM 0 HG23 ILE A 507 1.635 13.814 -1.480 1.00 0.00 H new ATOM 0 HD11 ILE A 507 3.790 12.354 -4.789 1.00 0.00 H new ATOM 0 HD12 ILE A 507 3.718 13.697 -3.624 1.00 0.00 H new ATOM 0 HD13 ILE A 507 4.922 12.403 -3.417 1.00 0.00 H new ATOM 1296 N ASN A 508 4.130 14.932 0.481 1.00 0.00 N ATOM 1297 CA ASN A 508 3.949 15.609 1.761 1.00 0.00 C ATOM 1298 C ASN A 508 5.026 15.193 2.762 1.00 0.00 C ATOM 1299 O ASN A 508 4.737 14.958 3.936 1.00 0.00 O ATOM 1300 CB ASN A 508 2.561 15.309 2.331 1.00 0.00 C ATOM 1301 CG ASN A 508 1.944 16.515 3.012 1.00 0.00 C ATOM 1302 OD1 ASN A 508 0.793 16.866 2.754 1.00 0.00 O ATOM 1303 ND2 ASN A 508 2.708 17.154 3.890 1.00 0.00 N ATOM 0 H ASN A 508 4.345 15.554 -0.298 1.00 0.00 H new ATOM 0 HA ASN A 508 4.039 16.681 1.588 1.00 0.00 H new ATOM 0 HB2 ASN A 508 1.906 14.974 1.527 1.00 0.00 H new ATOM 0 HB3 ASN A 508 2.634 14.489 3.046 1.00 0.00 H new ATOM 0 HD21 ASN A 508 2.346 17.971 4.382 1.00 0.00 H new ATOM 0 HD22 ASN A 508 3.657 16.828 4.073 1.00 0.00 H new ATOM 1310 N ASP A 509 6.268 15.107 2.292 1.00 0.00 N ATOM 1311 CA ASP A 509 7.387 14.723 3.148 1.00 0.00 C ATOM 1312 C ASP A 509 7.268 13.269 3.600 1.00 0.00 C ATOM 1313 O ASP A 509 7.883 12.866 4.588 1.00 0.00 O ATOM 1314 CB ASP A 509 7.465 15.643 4.369 1.00 0.00 C ATOM 1315 CG ASP A 509 8.895 15.956 4.767 1.00 0.00 C ATOM 1316 OD1 ASP A 509 9.657 15.006 5.040 1.00 0.00 O ATOM 1317 OD2 ASP A 509 9.251 17.153 4.807 1.00 0.00 O ATOM 0 H ASP A 509 6.525 15.298 1.323 1.00 0.00 H new ATOM 0 HA ASP A 509 8.301 14.824 2.563 1.00 0.00 H new ATOM 0 HB2 ASP A 509 6.939 16.573 4.154 1.00 0.00 H new ATOM 0 HB3 ASP A 509 6.952 15.173 5.208 1.00 0.00 H new ATOM 1322 N LYS A 510 6.479 12.487 2.872 1.00 0.00 N ATOM 1323 CA LYS A 510 6.283 11.079 3.197 1.00 0.00 C ATOM 1324 C LYS A 510 6.818 10.191 2.082 1.00 0.00 C ATOM 1325 O LYS A 510 6.490 10.397 0.915 1.00 0.00 O ATOM 1326 CB LYS A 510 4.799 10.786 3.410 1.00 0.00 C ATOM 1327 CG LYS A 510 4.544 9.495 4.170 1.00 0.00 C ATOM 1328 CD LYS A 510 4.321 9.754 5.652 1.00 0.00 C ATOM 1329 CE LYS A 510 5.499 10.487 6.277 1.00 0.00 C ATOM 1330 NZ LYS A 510 6.681 9.598 6.444 1.00 0.00 N ATOM 0 H LYS A 510 5.964 12.805 2.051 1.00 0.00 H new ATOM 0 HA LYS A 510 6.830 10.865 4.115 1.00 0.00 H new ATOM 0 HB2 LYS A 510 4.347 11.615 3.954 1.00 0.00 H new ATOM 0 HB3 LYS A 510 4.304 10.733 2.441 1.00 0.00 H new ATOM 0 HG2 LYS A 510 3.672 8.992 3.752 1.00 0.00 H new ATOM 0 HG3 LYS A 510 5.392 8.822 4.041 1.00 0.00 H new ATOM 0 HD2 LYS A 510 3.413 10.342 5.786 1.00 0.00 H new ATOM 0 HD3 LYS A 510 4.166 8.806 6.168 1.00 0.00 H new ATOM 0 HE2 LYS A 510 5.770 11.338 5.652 1.00 0.00 H new ATOM 0 HE3 LYS A 510 5.205 10.886 7.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 7.467 10.139 6.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 6.435 8.809 7.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 6.968 9.224 5.517 1.00 0.00 H new ATOM 1344 N MET A 511 7.634 9.197 2.433 1.00 0.00 N ATOM 1345 CA MET A 511 8.178 8.306 1.420 1.00 0.00 C ATOM 1346 C MET A 511 7.045 7.550 0.738 1.00 0.00 C ATOM 1347 O MET A 511 6.433 6.654 1.319 1.00 0.00 O ATOM 1348 CB MET A 511 9.167 7.320 2.048 1.00 0.00 C ATOM 1349 CG MET A 511 9.978 6.540 1.027 1.00 0.00 C ATOM 1350 SD MET A 511 10.890 7.609 -0.102 1.00 0.00 S ATOM 1351 CE MET A 511 9.784 7.631 -1.511 1.00 0.00 C ATOM 0 H MET A 511 7.925 8.995 3.389 1.00 0.00 H new ATOM 0 HA MET A 511 8.710 8.901 0.677 1.00 0.00 H new ATOM 0 HB2 MET A 511 9.848 7.867 2.700 1.00 0.00 H new ATOM 0 HB3 MET A 511 8.618 6.619 2.677 1.00 0.00 H new ATOM 0 HG2 MET A 511 10.678 5.887 1.548 1.00 0.00 H new ATOM 0 HG3 MET A 511 9.310 5.898 0.453 1.00 0.00 H new ATOM 0 HE1 MET A 511 10.356 7.474 -2.425 1.00 0.00 H new ATOM 0 HE2 MET A 511 9.044 6.837 -1.405 1.00 0.00 H new ATOM 0 HE3 MET A 511 9.277 8.595 -1.561 1.00 0.00 H new ATOM 1361 N HIS A 512 6.770 7.939 -0.497 1.00 0.00 N ATOM 1362 CA HIS A 512 5.714 7.341 -1.287 1.00 0.00 C ATOM 1363 C HIS A 512 6.232 6.813 -2.623 1.00 0.00 C ATOM 1364 O HIS A 512 7.235 7.293 -3.150 1.00 0.00 O ATOM 1365 CB HIS A 512 4.607 8.366 -1.531 1.00 0.00 C ATOM 1366 CG HIS A 512 4.470 8.748 -2.961 1.00 0.00 C ATOM 1367 ND1 HIS A 512 4.957 9.927 -3.472 1.00 0.00 N ATOM 1368 CD2 HIS A 512 3.915 8.084 -3.996 1.00 0.00 C ATOM 1369 CE1 HIS A 512 4.704 9.976 -4.763 1.00 0.00 C ATOM 1370 NE2 HIS A 512 4.076 8.868 -5.110 1.00 0.00 N ATOM 0 H HIS A 512 7.277 8.682 -0.978 1.00 0.00 H new ATOM 0 HA HIS A 512 5.319 6.494 -0.726 1.00 0.00 H new ATOM 0 HB2 HIS A 512 3.659 7.959 -1.177 1.00 0.00 H new ATOM 0 HB3 HIS A 512 4.811 9.259 -0.941 1.00 0.00 H new ATOM 0 HD2 HIS A 512 3.435 7.118 -3.955 1.00 0.00 H new ATOM 0 HE1 HIS A 512 4.966 10.787 -5.427 1.00 0.00 H new ATOM 0 HE2 HIS A 512 3.762 8.633 -6.052 1.00 0.00 H new ATOM 1379 N PHE A 513 5.514 5.853 -3.183 1.00 0.00 N ATOM 1380 CA PHE A 513 5.859 5.292 -4.472 1.00 0.00 C ATOM 1381 C PHE A 513 4.609 5.210 -5.349 1.00 0.00 C ATOM 1382 O PHE A 513 3.621 4.590 -4.969 1.00 0.00 O ATOM 1383 CB PHE A 513 6.477 3.910 -4.280 1.00 0.00 C ATOM 1384 CG PHE A 513 6.129 3.263 -2.968 1.00 0.00 C ATOM 1385 CD1 PHE A 513 4.877 2.712 -2.760 1.00 0.00 C ATOM 1386 CD2 PHE A 513 7.058 3.216 -1.941 1.00 0.00 C ATOM 1387 CE1 PHE A 513 4.556 2.123 -1.552 1.00 0.00 C ATOM 1388 CE2 PHE A 513 6.743 2.629 -0.730 1.00 0.00 C ATOM 1389 CZ PHE A 513 5.490 2.082 -0.535 1.00 0.00 C ATOM 0 H PHE A 513 4.682 5.445 -2.757 1.00 0.00 H new ATOM 0 HA PHE A 513 6.588 5.933 -4.968 1.00 0.00 H new ATOM 0 HB2 PHE A 513 6.150 3.261 -5.092 1.00 0.00 H new ATOM 0 HB3 PHE A 513 7.561 3.994 -4.356 1.00 0.00 H new ATOM 0 HD1 PHE A 513 4.142 2.743 -3.551 1.00 0.00 H new ATOM 0 HD2 PHE A 513 8.039 3.643 -2.088 1.00 0.00 H new ATOM 0 HE1 PHE A 513 3.576 1.695 -1.403 1.00 0.00 H new ATOM 0 HE2 PHE A 513 7.476 2.598 0.063 1.00 0.00 H new ATOM 0 HZ PHE A 513 5.241 1.623 0.410 1.00 0.00 H new ATOM 1399 N SER A 514 4.651 5.849 -6.517 1.00 0.00 N ATOM 1400 CA SER A 514 3.515 5.852 -7.433 1.00 0.00 C ATOM 1401 C SER A 514 3.836 6.606 -8.720 1.00 0.00 C ATOM 1402 O SER A 514 4.843 7.306 -8.811 1.00 0.00 O ATOM 1403 CB SER A 514 2.291 6.485 -6.775 1.00 0.00 C ATOM 1404 OG SER A 514 1.168 5.626 -6.881 1.00 0.00 O ATOM 0 H SER A 514 5.461 6.371 -6.850 1.00 0.00 H new ATOM 0 HA SER A 514 3.300 4.812 -7.680 1.00 0.00 H new ATOM 0 HB2 SER A 514 2.501 6.690 -5.725 1.00 0.00 H new ATOM 0 HB3 SER A 514 2.070 7.441 -7.249 1.00 0.00 H new ATOM 0 HG SER A 514 0.729 5.553 -6.008 1.00 0.00 H new ATOM 1410 N LEU A 515 2.947 6.475 -9.700 1.00 0.00 N ATOM 1411 CA LEU A 515 3.094 7.153 -10.974 1.00 0.00 C ATOM 1412 C LEU A 515 1.865 7.999 -11.255 1.00 0.00 C ATOM 1413 O LEU A 515 0.844 7.868 -10.583 1.00 0.00 O ATOM 1414 CB LEU A 515 3.348 6.163 -12.121 1.00 0.00 C ATOM 1415 CG LEU A 515 2.152 5.315 -12.557 1.00 0.00 C ATOM 1416 CD1 LEU A 515 1.553 4.574 -11.380 1.00 0.00 C ATOM 1417 CD2 LEU A 515 1.110 6.192 -13.222 1.00 0.00 C ATOM 0 H LEU A 515 2.109 5.897 -9.629 1.00 0.00 H new ATOM 0 HA LEU A 515 3.967 7.803 -10.911 1.00 0.00 H new ATOM 0 HB2 LEU A 515 3.704 6.724 -12.985 1.00 0.00 H new ATOM 0 HB3 LEU A 515 4.153 5.492 -11.823 1.00 0.00 H new ATOM 0 HG LEU A 515 2.499 4.573 -13.276 1.00 0.00 H new ATOM 0 HD11 LEU A 515 0.705 3.979 -11.718 1.00 0.00 H new ATOM 0 HD12 LEU A 515 2.305 3.918 -10.942 1.00 0.00 H new ATOM 0 HD13 LEU A 515 1.218 5.291 -10.631 1.00 0.00 H new ATOM 0 HD21 LEU A 515 0.262 5.580 -13.529 1.00 0.00 H new ATOM 0 HD22 LEU A 515 0.772 6.953 -12.519 1.00 0.00 H new ATOM 0 HD23 LEU A 515 1.545 6.674 -14.097 1.00 0.00 H new ATOM 1429 N LYS A 516 1.964 8.858 -12.255 1.00 0.00 N ATOM 1430 CA LYS A 516 0.850 9.712 -12.621 1.00 0.00 C ATOM 1431 C LYS A 516 0.698 9.791 -14.133 1.00 0.00 C ATOM 1432 O LYS A 516 1.486 10.444 -14.817 1.00 0.00 O ATOM 1433 CB LYS A 516 1.005 11.110 -12.026 1.00 0.00 C ATOM 1434 CG LYS A 516 2.262 11.275 -11.204 1.00 0.00 C ATOM 1435 CD LYS A 516 3.493 11.225 -12.086 1.00 0.00 C ATOM 1436 CE LYS A 516 4.641 10.499 -11.403 1.00 0.00 C ATOM 1437 NZ LYS A 516 5.434 9.683 -12.364 1.00 0.00 N ATOM 0 H LYS A 516 2.801 8.982 -12.825 1.00 0.00 H new ATOM 0 HA LYS A 516 -0.055 9.267 -12.207 1.00 0.00 H new ATOM 0 HB2 LYS A 516 1.009 11.842 -12.833 1.00 0.00 H new ATOM 0 HB3 LYS A 516 0.139 11.329 -11.401 1.00 0.00 H new ATOM 0 HG2 LYS A 516 2.230 12.225 -10.670 1.00 0.00 H new ATOM 0 HG3 LYS A 516 2.316 10.488 -10.452 1.00 0.00 H new ATOM 0 HD2 LYS A 516 3.250 10.723 -13.023 1.00 0.00 H new ATOM 0 HD3 LYS A 516 3.802 12.239 -12.339 1.00 0.00 H new ATOM 0 HE2 LYS A 516 5.294 11.226 -10.920 1.00 0.00 H new ATOM 0 HE3 LYS A 516 4.246 9.854 -10.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 6.207 9.205 -11.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 4.818 8.972 -12.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 5.832 10.302 -13.099 1.00 0.00 H new ATOM 1451 N GLU A 517 -0.325 9.119 -14.646 1.00 0.00 N ATOM 1452 CA GLU A 517 -0.594 9.101 -16.069 1.00 0.00 C ATOM 1453 C GLU A 517 -0.829 10.511 -16.603 1.00 0.00 C ATOM 1454 O GLU A 517 -0.701 10.707 -17.830 1.00 0.00 O ATOM 1455 CB GLU A 517 -1.811 8.218 -16.340 1.00 0.00 C ATOM 1456 CG GLU A 517 -3.128 8.829 -15.883 1.00 0.00 C ATOM 1457 CD GLU A 517 -4.122 8.990 -17.017 1.00 0.00 C ATOM 1458 OE1 GLU A 517 -4.176 8.098 -17.891 1.00 0.00 O ATOM 1459 OE2 GLU A 517 -4.847 10.007 -17.031 1.00 0.00 O ATOM 1460 OXT GLU A 517 -1.141 11.407 -15.791 1.00 0.00 O ATOM 0 H GLU A 517 -0.984 8.576 -14.088 1.00 0.00 H new ATOM 0 HA GLU A 517 0.275 8.694 -16.586 1.00 0.00 H new ATOM 0 HB2 GLU A 517 -1.868 8.013 -17.409 1.00 0.00 H new ATOM 0 HB3 GLU A 517 -1.672 7.260 -15.838 1.00 0.00 H new ATOM 0 HG2 GLU A 517 -3.566 8.200 -15.108 1.00 0.00 H new ATOM 0 HG3 GLU A 517 -2.935 9.803 -15.433 1.00 0.00 H new