USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 477 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 148 GLN : amide:sc= -0.764 X(o=-0.76,f=-0.36) USER MOD Set 1.2: A 151 SER OG : rot 94:sc=0.000955 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= -0.0148 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 MET CE :methyl 140:sc= -0.245 (180deg=-1.89) USER MOD Single : A 126 LYS NZ :NH3+ 144:sc= -1.48 (180deg=-3.44!) USER MOD Single : A 131 THR OG1 : rot -28:sc= 0.183 USER MOD Single : A 132 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 133 TYR OH : rot 70:sc= -5.21! USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 MET CE :methyl -131:sc= -10.3! (180deg=-18!) USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 THR OG1 : rot 180:sc= -0.865 USER MOD Single : A 150 ASN : amide:sc= -0.36 K(o=-0.36,f=-1.7) USER MOD Single : A 154 MET CE :methyl -120:sc= -1.44 (180deg=-3.06!) USER MOD Single : A 174 THR OG1 : rot 180:sc= -0.0402 USER MOD Single : A 179 HIS : no HD1:sc= -1.43 X(o=-1.4,f=-1.6) USER MOD Single : A 182 THR OG1 : rot 180:sc= 0.0638 USER MOD Single : A 185 ASN : amide:sc= -3.3! C(o=-3.3!,f=-6.6!) USER MOD Single : A 186 MET CE :methyl -159:sc= -0.131 (180deg=-0.644) USER MOD Single : A 188 ASN : amide:sc= -0.0557 K(o=-0.056,f=-2.2!) USER MOD Single : A 189 ASN : amide:sc= -0.238 X(o=-0.24,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 467 N THR A 118 3.174 8.508 -8.072 1.00 0.27 N ATOM 468 CA THR A 118 4.263 9.428 -7.940 1.00 0.26 C ATOM 469 C THR A 118 4.009 10.326 -6.752 1.00 0.25 C ATOM 470 O THR A 118 3.252 11.291 -6.825 1.00 0.32 O ATOM 471 CB THR A 118 4.440 10.240 -9.226 1.00 0.30 C ATOM 472 OG1 THR A 118 4.967 9.405 -10.265 1.00 0.32 O ATOM 473 CG2 THR A 118 5.310 11.482 -9.043 1.00 0.32 C ATOM 0 HA THR A 118 5.190 8.879 -7.774 1.00 0.26 H new ATOM 0 HB THR A 118 3.451 10.601 -9.509 1.00 0.30 H new ATOM 0 HG1 THR A 118 5.076 9.932 -11.084 1.00 0.32 H new ATOM 0 HG21 THR A 118 5.394 12.011 -9.993 1.00 0.32 H new ATOM 0 HG22 THR A 118 4.855 12.139 -8.301 1.00 0.32 H new ATOM 0 HG23 THR A 118 6.302 11.184 -8.705 1.00 0.32 H new ATOM 481 N ILE A 119 4.607 9.958 -5.638 1.00 0.19 N ATOM 482 CA ILE A 119 4.365 10.632 -4.401 1.00 0.18 C ATOM 483 C ILE A 119 5.653 11.058 -3.736 1.00 0.19 C ATOM 484 O ILE A 119 6.733 10.579 -4.043 1.00 0.20 O ATOM 485 CB ILE A 119 3.695 9.707 -3.423 1.00 0.17 C ATOM 486 CG1 ILE A 119 4.734 8.800 -2.836 1.00 0.14 C ATOM 487 CG2 ILE A 119 2.605 8.924 -4.050 1.00 0.19 C ATOM 488 CD1 ILE A 119 4.271 8.257 -1.572 1.00 0.17 C ATOM 0 H ILE A 119 5.270 9.185 -5.575 1.00 0.19 H new ATOM 0 HA ILE A 119 3.746 11.496 -4.643 1.00 0.18 H new ATOM 0 HB ILE A 119 3.231 10.304 -2.638 1.00 0.17 H new ATOM 0 HG12 ILE A 119 4.953 7.989 -3.530 1.00 0.14 H new ATOM 0 HG13 ILE A 119 5.663 9.349 -2.685 1.00 0.14 H new ATOM 0 HG21 ILE A 119 2.151 8.271 -3.305 1.00 0.19 H new ATOM 0 HG22 ILE A 119 1.850 9.603 -4.445 1.00 0.19 H new ATOM 0 HG23 ILE A 119 3.011 8.321 -4.862 1.00 0.19 H new ATOM 0 HD11 ILE A 119 5.035 7.600 -1.157 1.00 0.17 H new ATOM 0 HD12 ILE A 119 4.076 9.072 -0.875 1.00 0.17 H new ATOM 0 HD13 ILE A 119 3.354 7.690 -1.734 1.00 0.17 H new ATOM 500 N SER A 120 5.483 11.808 -2.700 1.00 0.21 N ATOM 501 CA SER A 120 6.592 12.455 -2.045 1.00 0.28 C ATOM 502 C SER A 120 6.653 12.010 -0.593 1.00 0.28 C ATOM 503 O SER A 120 5.771 11.282 -0.129 1.00 0.25 O ATOM 504 CB SER A 120 6.452 13.978 -2.153 1.00 0.36 C ATOM 505 OG SER A 120 7.633 14.638 -1.726 1.00 1.29 O ATOM 0 H SER A 120 4.575 11.996 -2.276 1.00 0.21 H new ATOM 0 HA SER A 120 7.524 12.169 -2.534 1.00 0.28 H new ATOM 0 HB2 SER A 120 6.233 14.252 -3.185 1.00 0.36 H new ATOM 0 HB3 SER A 120 5.608 14.311 -1.548 1.00 0.36 H new ATOM 0 HG SER A 120 7.514 15.607 -1.808 1.00 1.29 H new ATOM 511 N LYS A 121 7.681 12.445 0.113 1.00 0.35 N ATOM 512 CA LYS A 121 7.889 12.047 1.509 1.00 0.40 C ATOM 513 C LYS A 121 6.643 12.298 2.365 1.00 0.36 C ATOM 514 O LYS A 121 6.191 11.418 3.091 1.00 0.38 O ATOM 515 CB LYS A 121 9.096 12.779 2.099 1.00 0.50 C ATOM 516 CG LYS A 121 10.395 12.478 1.370 1.00 1.34 C ATOM 517 CD LYS A 121 11.583 13.156 2.030 1.00 1.71 C ATOM 518 CE LYS A 121 12.873 12.855 1.283 1.00 2.46 C ATOM 519 NZ LYS A 121 14.059 13.453 1.951 1.00 3.26 N ATOM 0 H LYS A 121 8.393 13.078 -0.253 1.00 0.35 H new ATOM 0 HA LYS A 121 8.084 10.975 1.518 1.00 0.40 H new ATOM 0 HB2 LYS A 121 8.911 13.853 2.070 1.00 0.50 H new ATOM 0 HB3 LYS A 121 9.203 12.502 3.148 1.00 0.50 H new ATOM 0 HG2 LYS A 121 10.558 11.400 1.348 1.00 1.34 H new ATOM 0 HG3 LYS A 121 10.316 12.810 0.335 1.00 1.34 H new ATOM 0 HD2 LYS A 121 11.420 14.233 2.060 1.00 1.71 H new ATOM 0 HD3 LYS A 121 11.670 12.818 3.063 1.00 1.71 H new ATOM 0 HE2 LYS A 121 13.005 11.776 1.209 1.00 2.46 H new ATOM 0 HE3 LYS A 121 12.800 13.238 0.265 1.00 2.46 H new ATOM 0 HZ1 LYS A 121 14.916 13.223 1.408 1.00 3.26 H new ATOM 0 HZ2 LYS A 121 13.946 14.486 1.999 1.00 3.26 H new ATOM 0 HZ3 LYS A 121 14.146 13.069 2.914 1.00 3.26 H new ATOM 533 N ASN A 122 6.082 13.490 2.266 1.00 0.37 N ATOM 534 CA ASN A 122 4.881 13.831 3.010 1.00 0.37 C ATOM 535 C ASN A 122 3.656 13.358 2.280 1.00 0.30 C ATOM 536 O ASN A 122 2.579 13.256 2.866 1.00 0.29 O ATOM 537 CB ASN A 122 4.800 15.333 3.278 1.00 0.48 C ATOM 538 CG ASN A 122 5.882 15.813 4.225 1.00 1.22 C ATOM 539 OD1 ASN A 122 5.718 15.773 5.446 1.00 2.17 O ATOM 540 ND2 ASN A 122 6.988 16.281 3.672 1.00 1.64 N ATOM 0 H ASN A 122 6.440 14.241 1.676 1.00 0.37 H new ATOM 0 HA ASN A 122 4.930 13.323 3.973 1.00 0.37 H new ATOM 0 HB2 ASN A 122 4.882 15.872 2.334 1.00 0.48 H new ATOM 0 HB3 ASN A 122 3.823 15.572 3.697 1.00 0.48 H new ATOM 0 HD21 ASN A 122 7.746 16.627 4.261 1.00 1.64 H new ATOM 0 HD22 ASN A 122 7.083 16.296 2.657 1.00 1.64 H new ATOM 547 N GLU A 123 3.809 13.041 1.005 1.00 0.27 N ATOM 548 CA GLU A 123 2.699 12.583 0.247 1.00 0.25 C ATOM 549 C GLU A 123 2.279 11.227 0.705 1.00 0.21 C ATOM 550 O GLU A 123 1.159 10.834 0.528 1.00 0.26 O ATOM 551 CB GLU A 123 2.960 12.595 -1.229 1.00 0.27 C ATOM 552 CG GLU A 123 2.114 13.621 -1.928 1.00 0.30 C ATOM 553 CD GLU A 123 2.343 13.669 -3.417 1.00 0.37 C ATOM 554 OE1 GLU A 123 3.397 14.185 -3.842 1.00 0.45 O ATOM 555 OE2 GLU A 123 1.475 13.186 -4.168 1.00 0.50 O ATOM 0 H GLU A 123 4.690 13.098 0.493 1.00 0.27 H new ATOM 0 HA GLU A 123 1.882 13.284 0.421 1.00 0.25 H new ATOM 0 HB2 GLU A 123 4.014 12.805 -1.412 1.00 0.27 H new ATOM 0 HB3 GLU A 123 2.755 11.608 -1.644 1.00 0.27 H new ATOM 0 HG2 GLU A 123 1.063 13.407 -1.736 1.00 0.30 H new ATOM 0 HG3 GLU A 123 2.322 14.603 -1.504 1.00 0.30 H new ATOM 562 N MET A 124 3.156 10.531 1.340 1.00 0.19 N ATOM 563 CA MET A 124 2.775 9.254 1.874 1.00 0.20 C ATOM 564 C MET A 124 2.169 9.433 3.232 1.00 0.17 C ATOM 565 O MET A 124 1.319 8.658 3.653 1.00 0.16 O ATOM 566 CB MET A 124 3.942 8.277 1.915 1.00 0.27 C ATOM 567 CG MET A 124 5.099 8.687 2.821 1.00 1.21 C ATOM 568 SD MET A 124 4.791 8.369 4.573 1.00 2.28 S ATOM 569 CE MET A 124 6.348 8.883 5.290 1.00 3.06 C ATOM 0 H MET A 124 4.124 10.809 1.504 1.00 0.19 H new ATOM 0 HA MET A 124 2.031 8.818 1.208 1.00 0.20 H new ATOM 0 HB2 MET A 124 3.571 7.306 2.243 1.00 0.27 H new ATOM 0 HB3 MET A 124 4.323 8.147 0.902 1.00 0.27 H new ATOM 0 HG2 MET A 124 5.997 8.151 2.515 1.00 1.21 H new ATOM 0 HG3 MET A 124 5.299 9.749 2.683 1.00 1.21 H new ATOM 0 HE1 MET A 124 6.161 9.416 6.222 1.00 3.06 H new ATOM 0 HE2 MET A 124 6.963 8.006 5.491 1.00 3.06 H new ATOM 0 HE3 MET A 124 6.869 9.540 4.594 1.00 3.06 H new ATOM 579 N VAL A 125 2.580 10.498 3.884 1.00 0.20 N ATOM 580 CA VAL A 125 2.158 10.786 5.230 1.00 0.22 C ATOM 581 C VAL A 125 0.670 11.004 5.308 1.00 0.21 C ATOM 582 O VAL A 125 0.032 10.754 6.320 1.00 0.23 O ATOM 583 CB VAL A 125 2.888 12.025 5.750 1.00 0.29 C ATOM 584 CG1 VAL A 125 2.035 12.775 6.759 1.00 0.35 C ATOM 585 CG2 VAL A 125 4.224 11.621 6.335 1.00 0.32 C ATOM 0 H VAL A 125 3.219 11.189 3.491 1.00 0.20 H new ATOM 0 HA VAL A 125 2.406 9.924 5.850 1.00 0.22 H new ATOM 0 HB VAL A 125 3.070 12.707 4.919 1.00 0.29 H new ATOM 0 HG11 VAL A 125 2.577 13.652 7.113 1.00 0.35 H new ATOM 0 HG12 VAL A 125 1.105 13.090 6.286 1.00 0.35 H new ATOM 0 HG13 VAL A 125 1.810 12.122 7.602 1.00 0.35 H new ATOM 0 HG21 VAL A 125 4.742 12.506 6.705 1.00 0.32 H new ATOM 0 HG22 VAL A 125 4.065 10.923 7.157 1.00 0.32 H new ATOM 0 HG23 VAL A 125 4.829 11.142 5.565 1.00 0.32 H new ATOM 595 N LYS A 126 0.147 11.532 4.256 1.00 0.20 N ATOM 596 CA LYS A 126 -1.280 11.614 4.093 1.00 0.20 C ATOM 597 C LYS A 126 -1.833 10.275 3.652 1.00 0.16 C ATOM 598 O LYS A 126 -2.872 9.862 4.114 1.00 0.19 O ATOM 599 CB LYS A 126 -1.574 12.646 3.049 1.00 0.24 C ATOM 600 CG LYS A 126 -0.938 12.252 1.745 1.00 0.32 C ATOM 601 CD LYS A 126 -0.089 13.294 1.094 1.00 0.39 C ATOM 602 CE LYS A 126 -0.800 14.611 0.855 1.00 0.59 C ATOM 603 NZ LYS A 126 -0.845 15.485 2.060 1.00 1.51 N ATOM 0 H LYS A 126 0.686 11.920 3.482 1.00 0.20 H new ATOM 0 HA LYS A 126 -1.746 11.887 5.040 1.00 0.20 H new ATOM 0 HB2 LYS A 126 -2.652 12.750 2.921 1.00 0.24 H new ATOM 0 HB3 LYS A 126 -1.196 13.617 3.369 1.00 0.24 H new ATOM 0 HG2 LYS A 126 -0.326 11.366 1.914 1.00 0.32 H new ATOM 0 HG3 LYS A 126 -1.727 11.967 1.049 1.00 0.32 H new ATOM 0 HD2 LYS A 126 0.787 13.474 1.717 1.00 0.39 H new ATOM 0 HD3 LYS A 126 0.271 12.910 0.140 1.00 0.39 H new ATOM 0 HE2 LYS A 126 -0.300 15.144 0.047 1.00 0.59 H new ATOM 0 HE3 LYS A 126 -1.818 14.411 0.522 1.00 0.59 H new ATOM 0 HZ1 LYS A 126 -0.751 16.480 1.771 1.00 1.51 H new ATOM 0 HZ2 LYS A 126 -1.751 15.352 2.552 1.00 1.51 H new ATOM 0 HZ3 LYS A 126 -0.064 15.235 2.700 1.00 1.51 H new ATOM 617 N LEU A 127 -1.119 9.607 2.757 1.00 0.15 N ATOM 618 CA LEU A 127 -1.582 8.379 2.163 1.00 0.19 C ATOM 619 C LEU A 127 -1.840 7.298 3.127 1.00 0.20 C ATOM 620 O LEU A 127 -2.798 6.590 2.927 1.00 0.24 O ATOM 621 CB LEU A 127 -0.649 7.904 1.105 1.00 0.25 C ATOM 622 CG LEU A 127 -1.123 8.339 -0.263 1.00 0.32 C ATOM 623 CD1 LEU A 127 -0.021 9.039 -1.049 1.00 0.37 C ATOM 624 CD2 LEU A 127 -1.710 7.160 -1.000 1.00 0.40 C ATOM 0 H LEU A 127 -0.202 9.909 2.427 1.00 0.15 H new ATOM 0 HA LEU A 127 -2.545 8.630 1.718 1.00 0.19 H new ATOM 0 HB2 LEU A 127 0.350 8.298 1.291 1.00 0.25 H new ATOM 0 HB3 LEU A 127 -0.575 6.817 1.141 1.00 0.25 H new ATOM 0 HG LEU A 127 -1.912 9.081 -0.142 1.00 0.32 H new ATOM 0 HD11 LEU A 127 -0.403 9.335 -2.026 1.00 0.37 H new ATOM 0 HD12 LEU A 127 0.308 9.924 -0.504 1.00 0.37 H new ATOM 0 HD13 LEU A 127 0.821 8.359 -1.180 1.00 0.37 H new ATOM 0 HD21 LEU A 127 -2.050 7.479 -1.985 1.00 0.40 H new ATOM 0 HD22 LEU A 127 -0.951 6.386 -1.111 1.00 0.40 H new ATOM 0 HD23 LEU A 127 -2.554 6.762 -0.436 1.00 0.40 H new ATOM 636 N LEU A 128 -1.046 7.126 4.159 1.00 0.18 N ATOM 637 CA LEU A 128 -1.419 6.098 5.079 1.00 0.24 C ATOM 638 C LEU A 128 -2.760 6.464 5.727 1.00 0.26 C ATOM 639 O LEU A 128 -3.647 5.627 5.864 1.00 0.32 O ATOM 640 CB LEU A 128 -0.330 5.720 6.118 1.00 0.28 C ATOM 641 CG LEU A 128 0.504 6.817 6.761 1.00 0.22 C ATOM 642 CD1 LEU A 128 1.744 7.065 5.974 1.00 0.19 C ATOM 643 CD2 LEU A 128 -0.262 8.068 6.855 1.00 0.21 C ATOM 0 H LEU A 128 -0.196 7.649 4.369 1.00 0.18 H new ATOM 0 HA LEU A 128 -1.533 5.180 4.503 1.00 0.24 H new ATOM 0 HB2 LEU A 128 -0.821 5.170 6.921 1.00 0.28 H new ATOM 0 HB3 LEU A 128 0.358 5.028 5.633 1.00 0.28 H new ATOM 0 HG LEU A 128 0.772 6.482 7.763 1.00 0.22 H new ATOM 0 HD11 LEU A 128 2.326 7.853 6.451 1.00 0.19 H new ATOM 0 HD12 LEU A 128 2.337 6.151 5.931 1.00 0.19 H new ATOM 0 HD13 LEU A 128 1.478 7.372 4.963 1.00 0.19 H new ATOM 0 HD21 LEU A 128 0.355 8.838 7.318 1.00 0.21 H new ATOM 0 HD22 LEU A 128 -0.556 8.390 5.856 1.00 0.21 H new ATOM 0 HD23 LEU A 128 -1.153 7.904 7.461 1.00 0.21 H new ATOM 655 N GLU A 129 -2.932 7.746 6.016 1.00 0.23 N ATOM 656 CA GLU A 129 -4.162 8.262 6.583 1.00 0.28 C ATOM 657 C GLU A 129 -5.261 8.068 5.563 1.00 0.25 C ATOM 658 O GLU A 129 -6.424 7.813 5.874 1.00 0.31 O ATOM 659 CB GLU A 129 -4.020 9.761 6.834 1.00 0.32 C ATOM 660 CG GLU A 129 -2.708 10.154 7.473 1.00 0.44 C ATOM 661 CD GLU A 129 -2.605 11.647 7.717 1.00 1.70 C ATOM 662 OE1 GLU A 129 -3.342 12.413 7.058 1.00 2.51 O ATOM 663 OE2 GLU A 129 -1.780 12.064 8.564 1.00 2.23 O ATOM 0 H GLU A 129 -2.217 8.457 5.862 1.00 0.23 H new ATOM 0 HA GLU A 129 -4.385 7.746 7.517 1.00 0.28 H new ATOM 0 HB2 GLU A 129 -4.124 10.289 5.886 1.00 0.32 H new ATOM 0 HB3 GLU A 129 -4.838 10.091 7.474 1.00 0.32 H new ATOM 0 HG2 GLU A 129 -2.596 9.626 8.420 1.00 0.44 H new ATOM 0 HG3 GLU A 129 -1.886 9.836 6.832 1.00 0.44 H new ATOM 670 N ALA A 130 -4.819 8.165 4.327 1.00 0.21 N ATOM 671 CA ALA A 130 -5.662 8.237 3.177 1.00 0.25 C ATOM 672 C ALA A 130 -5.964 6.842 2.647 1.00 0.28 C ATOM 673 O ALA A 130 -6.768 6.660 1.733 1.00 0.33 O ATOM 674 CB ALA A 130 -4.948 9.077 2.119 1.00 0.26 C ATOM 0 H ALA A 130 -3.825 8.196 4.099 1.00 0.21 H new ATOM 0 HA ALA A 130 -6.614 8.699 3.437 1.00 0.25 H new ATOM 0 HB1 ALA A 130 -5.572 9.148 1.228 1.00 0.26 H new ATOM 0 HB2 ALA A 130 -4.762 10.077 2.512 1.00 0.26 H new ATOM 0 HB3 ALA A 130 -3.999 8.607 1.861 1.00 0.26 H new ATOM 680 N THR A 131 -5.302 5.856 3.235 1.00 0.26 N ATOM 681 CA THR A 131 -5.388 4.496 2.769 1.00 0.29 C ATOM 682 C THR A 131 -5.887 3.607 3.902 1.00 0.29 C ATOM 683 O THR A 131 -6.040 2.390 3.755 1.00 0.33 O ATOM 684 CB THR A 131 -4.024 4.015 2.239 1.00 0.30 C ATOM 685 OG1 THR A 131 -4.164 2.769 1.543 1.00 0.36 O ATOM 686 CG2 THR A 131 -3.049 3.857 3.381 1.00 0.28 C ATOM 0 H THR A 131 -4.695 5.984 4.045 1.00 0.26 H new ATOM 0 HA THR A 131 -6.095 4.440 1.941 1.00 0.29 H new ATOM 0 HB THR A 131 -3.643 4.763 1.544 1.00 0.30 H new ATOM 0 HG1 THR A 131 -4.925 2.272 1.911 1.00 0.36 H new ATOM 0 HG21 THR A 131 -2.088 3.517 2.995 1.00 0.28 H new ATOM 0 HG22 THR A 131 -2.919 4.815 3.884 1.00 0.28 H new ATOM 0 HG23 THR A 131 -3.435 3.125 4.090 1.00 0.28 H new ATOM 694 N GLN A 132 -6.130 4.267 5.032 1.00 0.25 N ATOM 695 CA GLN A 132 -6.586 3.640 6.267 1.00 0.25 C ATOM 696 C GLN A 132 -5.497 2.789 6.906 1.00 0.21 C ATOM 697 O GLN A 132 -5.671 1.597 7.151 1.00 0.23 O ATOM 698 CB GLN A 132 -7.850 2.810 6.061 1.00 0.32 C ATOM 699 CG GLN A 132 -9.050 3.615 5.588 1.00 0.41 C ATOM 700 CD GLN A 132 -10.258 2.744 5.304 1.00 1.38 C ATOM 701 OE1 GLN A 132 -11.076 2.486 6.187 1.00 2.19 O ATOM 702 NE2 GLN A 132 -10.379 2.285 4.069 1.00 2.15 N ATOM 0 H GLN A 132 -6.012 5.277 5.115 1.00 0.25 H new ATOM 0 HA GLN A 132 -6.828 4.455 6.949 1.00 0.25 H new ATOM 0 HB2 GLN A 132 -7.642 2.026 5.333 1.00 0.32 H new ATOM 0 HB3 GLN A 132 -8.104 2.316 6.999 1.00 0.32 H new ATOM 0 HG2 GLN A 132 -9.309 4.354 6.346 1.00 0.41 H new ATOM 0 HG3 GLN A 132 -8.782 4.164 4.686 1.00 0.41 H new ATOM 0 HE21 GLN A 132 -9.679 2.522 3.366 1.00 2.15 H new ATOM 0 HE22 GLN A 132 -11.172 1.694 3.820 1.00 2.15 H new ATOM 711 N TYR A 133 -4.372 3.420 7.155 1.00 0.17 N ATOM 712 CA TYR A 133 -3.229 2.788 7.741 1.00 0.15 C ATOM 713 C TYR A 133 -2.460 3.859 8.469 1.00 0.15 C ATOM 714 O TYR A 133 -2.472 5.015 8.081 1.00 0.18 O ATOM 715 CB TYR A 133 -2.385 2.068 6.686 1.00 0.16 C ATOM 716 CG TYR A 133 -0.898 2.380 6.698 1.00 0.17 C ATOM 717 CD1 TYR A 133 -0.102 2.249 7.842 1.00 0.15 C ATOM 718 CD2 TYR A 133 -0.277 2.792 5.533 1.00 0.22 C ATOM 719 CE1 TYR A 133 1.228 2.520 7.806 1.00 0.18 C ATOM 720 CE2 TYR A 133 1.063 3.060 5.500 1.00 0.25 C ATOM 721 CZ TYR A 133 1.811 2.919 6.638 1.00 0.19 C ATOM 722 OH TYR A 133 3.146 3.187 6.609 1.00 0.27 O ATOM 0 H TYR A 133 -4.231 4.409 6.948 1.00 0.17 H new ATOM 0 HA TYR A 133 -3.529 2.010 8.443 1.00 0.15 H new ATOM 0 HB2 TYR A 133 -2.512 0.994 6.819 1.00 0.16 H new ATOM 0 HB3 TYR A 133 -2.781 2.316 5.701 1.00 0.16 H new ATOM 0 HD1 TYR A 133 -0.553 1.927 8.769 1.00 0.15 H new ATOM 0 HD2 TYR A 133 -0.862 2.904 4.632 1.00 0.22 H new ATOM 0 HE1 TYR A 133 1.824 2.420 8.701 1.00 0.18 H new ATOM 0 HE2 TYR A 133 1.529 3.381 4.581 1.00 0.25 H new ATOM 0 HH TYR A 133 3.649 2.352 6.703 1.00 0.27 H new ATOM 732 N ARG A 134 -1.832 3.512 9.548 1.00 0.15 N ATOM 733 CA ARG A 134 -1.114 4.480 10.316 1.00 0.18 C ATOM 734 C ARG A 134 0.120 3.816 10.871 1.00 0.19 C ATOM 735 O ARG A 134 0.157 2.591 10.934 1.00 0.18 O ATOM 736 CB ARG A 134 -2.020 4.977 11.421 1.00 0.18 C ATOM 737 CG ARG A 134 -3.462 5.148 10.967 1.00 0.22 C ATOM 738 CD ARG A 134 -4.213 3.834 11.010 1.00 0.25 C ATOM 739 NE ARG A 134 -4.797 3.562 12.323 1.00 0.28 N ATOM 740 CZ ARG A 134 -5.012 2.340 12.802 1.00 0.44 C ATOM 741 NH1 ARG A 134 -4.695 1.279 12.074 1.00 0.69 N ATOM 742 NH2 ARG A 134 -5.536 2.180 14.009 1.00 0.49 N ATOM 0 H ARG A 134 -1.802 2.562 9.918 1.00 0.15 H new ATOM 0 HA ARG A 134 -0.809 5.333 9.710 1.00 0.18 H new ATOM 0 HB2 ARG A 134 -1.987 4.276 12.255 1.00 0.18 H new ATOM 0 HB3 ARG A 134 -1.645 5.931 11.791 1.00 0.18 H new ATOM 0 HG2 ARG A 134 -3.962 5.876 11.605 1.00 0.22 H new ATOM 0 HG3 ARG A 134 -3.481 5.547 9.953 1.00 0.22 H new ATOM 0 HD2 ARG A 134 -5.004 3.847 10.260 1.00 0.25 H new ATOM 0 HD3 ARG A 134 -3.535 3.023 10.743 1.00 0.25 H new ATOM 0 HE ARG A 134 -5.055 4.358 12.907 1.00 0.28 H new ATOM 0 HH11 ARG A 134 -4.286 1.400 11.147 1.00 0.69 H new ATOM 0 HH12 ARG A 134 -4.859 0.341 12.440 1.00 0.69 H new ATOM 0 HH21 ARG A 134 -5.776 2.995 14.573 1.00 0.49 H new ATOM 0 HH22 ARG A 134 -5.700 1.242 14.374 1.00 0.49 H new ATOM 756 N GLN A 135 1.126 4.591 11.250 1.00 0.22 N ATOM 757 CA GLN A 135 2.387 4.018 11.691 1.00 0.25 C ATOM 758 C GLN A 135 2.194 2.980 12.749 1.00 0.24 C ATOM 759 O GLN A 135 1.190 2.952 13.468 1.00 0.30 O ATOM 760 CB GLN A 135 3.337 5.067 12.226 1.00 0.35 C ATOM 761 CG GLN A 135 3.122 5.357 13.690 1.00 0.88 C ATOM 762 CD GLN A 135 3.461 6.784 14.064 1.00 1.36 C ATOM 763 OE1 GLN A 135 4.589 7.089 14.451 1.00 1.87 O ATOM 764 NE2 GLN A 135 2.490 7.672 13.933 1.00 1.96 N ATOM 0 H GLN A 135 1.094 5.610 11.261 1.00 0.22 H new ATOM 0 HA GLN A 135 2.819 3.557 10.803 1.00 0.25 H new ATOM 0 HB2 GLN A 135 4.363 4.733 12.073 1.00 0.35 H new ATOM 0 HB3 GLN A 135 3.213 5.988 11.656 1.00 0.35 H new ATOM 0 HG2 GLN A 135 2.081 5.157 13.946 1.00 0.88 H new ATOM 0 HG3 GLN A 135 3.732 4.676 14.283 1.00 0.88 H new ATOM 0 HE21 GLN A 135 1.569 7.377 13.609 1.00 1.96 H new ATOM 0 HE22 GLN A 135 2.662 8.652 14.156 1.00 1.96 H new ATOM 773 N VAL A 136 3.194 2.154 12.864 1.00 0.23 N ATOM 774 CA VAL A 136 3.072 0.986 13.652 1.00 0.24 C ATOM 775 C VAL A 136 4.407 0.599 14.277 1.00 0.27 C ATOM 776 O VAL A 136 5.471 0.949 13.766 1.00 0.27 O ATOM 777 CB VAL A 136 2.498 -0.171 12.786 1.00 0.20 C ATOM 778 CG1 VAL A 136 2.917 -1.535 13.282 1.00 0.23 C ATOM 779 CG2 VAL A 136 0.992 -0.097 12.695 1.00 0.20 C ATOM 0 H VAL A 136 4.102 2.278 12.416 1.00 0.23 H new ATOM 0 HA VAL A 136 2.382 1.186 14.471 1.00 0.24 H new ATOM 0 HB VAL A 136 2.921 -0.038 11.790 1.00 0.20 H new ATOM 0 HG11 VAL A 136 2.487 -2.304 12.640 1.00 0.23 H new ATOM 0 HG12 VAL A 136 4.004 -1.611 13.262 1.00 0.23 H new ATOM 0 HG13 VAL A 136 2.562 -1.676 14.303 1.00 0.23 H new ATOM 0 HG21 VAL A 136 0.624 -0.920 12.083 1.00 0.20 H new ATOM 0 HG22 VAL A 136 0.563 -0.168 13.695 1.00 0.20 H new ATOM 0 HG23 VAL A 136 0.701 0.851 12.242 1.00 0.20 H new ATOM 789 N SER A 137 4.337 -0.093 15.394 1.00 0.31 N ATOM 790 CA SER A 137 5.509 -0.653 16.031 1.00 0.35 C ATOM 791 C SER A 137 6.222 -1.634 15.128 1.00 0.33 C ATOM 792 O SER A 137 7.430 -1.550 14.899 1.00 0.35 O ATOM 793 CB SER A 137 5.043 -1.382 17.261 1.00 0.39 C ATOM 794 OG SER A 137 4.820 -0.486 18.335 1.00 0.73 O ATOM 0 H SER A 137 3.464 -0.283 15.887 1.00 0.31 H new ATOM 0 HA SER A 137 6.207 0.150 16.267 1.00 0.35 H new ATOM 0 HB2 SER A 137 4.123 -1.924 17.039 1.00 0.39 H new ATOM 0 HB3 SER A 137 5.787 -2.123 17.551 1.00 0.39 H new ATOM 0 HG SER A 137 4.516 -0.987 19.121 1.00 0.73 H new ATOM 800 N LYS A 138 5.444 -2.540 14.601 1.00 0.30 N ATOM 801 CA LYS A 138 5.936 -3.581 13.748 1.00 0.30 C ATOM 802 C LYS A 138 4.806 -4.085 12.906 1.00 0.27 C ATOM 803 O LYS A 138 3.827 -4.646 13.402 1.00 0.28 O ATOM 804 CB LYS A 138 6.510 -4.690 14.567 1.00 0.35 C ATOM 805 CG LYS A 138 5.568 -5.155 15.631 1.00 0.37 C ATOM 806 CD LYS A 138 6.107 -6.379 16.344 1.00 0.43 C ATOM 807 CE LYS A 138 6.330 -7.512 15.357 1.00 0.44 C ATOM 808 NZ LYS A 138 6.893 -8.722 16.005 1.00 0.51 N ATOM 0 H LYS A 138 4.436 -2.574 14.756 1.00 0.30 H new ATOM 0 HA LYS A 138 6.725 -3.191 13.106 1.00 0.30 H new ATOM 0 HB2 LYS A 138 6.761 -5.527 13.916 1.00 0.35 H new ATOM 0 HB3 LYS A 138 7.439 -4.355 15.028 1.00 0.35 H new ATOM 0 HG2 LYS A 138 5.405 -4.354 16.352 1.00 0.37 H new ATOM 0 HG3 LYS A 138 4.600 -5.386 15.187 1.00 0.37 H new ATOM 0 HD2 LYS A 138 7.044 -6.133 16.843 1.00 0.43 H new ATOM 0 HD3 LYS A 138 5.407 -6.695 17.118 1.00 0.43 H new ATOM 0 HE2 LYS A 138 5.384 -7.766 14.879 1.00 0.44 H new ATOM 0 HE3 LYS A 138 7.005 -7.177 14.570 1.00 0.44 H new ATOM 0 HZ1 LYS A 138 7.027 -9.467 15.292 1.00 0.51 H new ATOM 0 HZ2 LYS A 138 7.809 -8.489 16.439 1.00 0.51 H new ATOM 0 HZ3 LYS A 138 6.238 -9.059 16.739 1.00 0.51 H new ATOM 822 N MET A 139 4.915 -3.854 11.641 1.00 0.25 N ATOM 823 CA MET A 139 3.786 -4.026 10.794 1.00 0.25 C ATOM 824 C MET A 139 3.608 -5.471 10.404 1.00 0.26 C ATOM 825 O MET A 139 4.383 -6.069 9.653 1.00 0.30 O ATOM 826 CB MET A 139 3.859 -3.096 9.596 1.00 0.33 C ATOM 827 CG MET A 139 4.325 -3.719 8.323 1.00 0.70 C ATOM 828 SD MET A 139 3.441 -3.077 6.911 1.00 2.16 S ATOM 829 CE MET A 139 3.781 -4.379 5.760 1.00 2.71 C ATOM 0 H MET A 139 5.769 -3.548 11.174 1.00 0.25 H new ATOM 0 HA MET A 139 2.892 -3.748 11.352 1.00 0.25 H new ATOM 0 HB2 MET A 139 2.870 -2.669 9.430 1.00 0.33 H new ATOM 0 HB3 MET A 139 4.526 -2.270 9.841 1.00 0.33 H new ATOM 0 HG2 MET A 139 5.392 -3.536 8.198 1.00 0.70 H new ATOM 0 HG3 MET A 139 4.191 -4.799 8.376 1.00 0.70 H new ATOM 0 HE1 MET A 139 4.133 -3.952 4.821 1.00 2.71 H new ATOM 0 HE2 MET A 139 4.548 -5.036 6.170 1.00 2.71 H new ATOM 0 HE3 MET A 139 2.871 -4.952 5.580 1.00 2.71 H new ATOM 839 N THR A 140 2.633 -6.053 11.026 1.00 0.25 N ATOM 840 CA THR A 140 2.081 -7.273 10.553 1.00 0.26 C ATOM 841 C THR A 140 0.700 -7.396 11.101 1.00 0.27 C ATOM 842 O THR A 140 0.469 -7.962 12.166 1.00 0.30 O ATOM 843 CB THR A 140 2.969 -8.430 11.012 1.00 0.31 C ATOM 844 OG1 THR A 140 2.330 -9.695 10.803 1.00 0.35 O ATOM 845 CG2 THR A 140 3.346 -8.250 12.478 1.00 0.34 C ATOM 0 H THR A 140 2.200 -5.692 11.876 1.00 0.25 H new ATOM 0 HA THR A 140 2.034 -7.295 9.464 1.00 0.26 H new ATOM 0 HB THR A 140 3.878 -8.420 10.411 1.00 0.31 H new ATOM 0 HG1 THR A 140 2.923 -10.415 11.105 1.00 0.35 H new ATOM 0 HG21 THR A 140 3.978 -9.079 12.795 1.00 0.34 H new ATOM 0 HG22 THR A 140 3.888 -7.312 12.602 1.00 0.34 H new ATOM 0 HG23 THR A 140 2.442 -8.230 13.086 1.00 0.34 H new ATOM 853 N ARG A 141 -0.222 -6.939 10.295 1.00 0.25 N ATOM 854 CA ARG A 141 -1.617 -6.974 10.617 1.00 0.28 C ATOM 855 C ARG A 141 -2.386 -7.063 9.325 1.00 0.30 C ATOM 856 O ARG A 141 -1.807 -6.880 8.257 1.00 0.45 O ATOM 857 CB ARG A 141 -2.021 -5.704 11.381 1.00 0.30 C ATOM 858 CG ARG A 141 -1.001 -5.246 12.399 1.00 0.38 C ATOM 859 CD ARG A 141 -1.028 -6.170 13.578 1.00 1.01 C ATOM 860 NE ARG A 141 -0.259 -5.662 14.712 1.00 1.20 N ATOM 861 CZ ARG A 141 0.129 -6.418 15.736 1.00 1.74 C ATOM 862 NH1 ARG A 141 -0.236 -7.696 15.801 1.00 2.38 N ATOM 863 NH2 ARG A 141 0.878 -5.896 16.698 1.00 1.97 N ATOM 0 H ARG A 141 -0.018 -6.527 9.384 1.00 0.25 H new ATOM 0 HA ARG A 141 -1.834 -7.833 11.252 1.00 0.28 H new ATOM 0 HB2 ARG A 141 -2.190 -4.900 10.665 1.00 0.30 H new ATOM 0 HB3 ARG A 141 -2.969 -5.884 11.888 1.00 0.30 H new ATOM 0 HG2 ARG A 141 -0.006 -5.235 11.954 1.00 0.38 H new ATOM 0 HG3 ARG A 141 -1.220 -4.226 12.716 1.00 0.38 H new ATOM 0 HD2 ARG A 141 -2.061 -6.328 13.887 1.00 1.01 H new ATOM 0 HD3 ARG A 141 -0.632 -7.141 13.282 1.00 1.01 H new ATOM 0 HE ARG A 141 -0.006 -4.674 14.719 1.00 1.20 H new ATOM 0 HH11 ARG A 141 -0.815 -8.099 15.064 1.00 2.38 H new ATOM 0 HH12 ARG A 141 0.063 -8.273 16.587 1.00 2.38 H new ATOM 0 HH21 ARG A 141 1.156 -4.916 16.653 1.00 1.97 H new ATOM 0 HH22 ARG A 141 1.176 -6.475 17.483 1.00 1.97 H new ATOM 877 N PRO A 142 -3.685 -7.317 9.361 1.00 0.36 N ATOM 878 CA PRO A 142 -4.481 -7.107 8.180 1.00 0.39 C ATOM 879 C PRO A 142 -4.816 -5.627 8.021 1.00 0.32 C ATOM 880 O PRO A 142 -5.567 -5.062 8.815 1.00 0.37 O ATOM 881 CB PRO A 142 -5.738 -7.929 8.453 1.00 0.53 C ATOM 882 CG PRO A 142 -5.860 -7.976 9.942 1.00 0.79 C ATOM 883 CD PRO A 142 -4.462 -7.853 10.494 1.00 0.55 C ATOM 0 HA PRO A 142 -3.977 -7.401 7.259 1.00 0.39 H new ATOM 0 HB2 PRO A 142 -6.616 -7.468 8.000 1.00 0.53 H new ATOM 0 HB3 PRO A 142 -5.652 -8.931 8.033 1.00 0.53 H new ATOM 0 HG2 PRO A 142 -6.492 -7.165 10.305 1.00 0.79 H new ATOM 0 HG3 PRO A 142 -6.323 -8.909 10.263 1.00 0.79 H new ATOM 0 HD2 PRO A 142 -4.429 -7.185 11.354 1.00 0.55 H new ATOM 0 HD3 PRO A 142 -4.076 -8.817 10.824 1.00 0.55 H new ATOM 891 N GLY A 143 -4.244 -4.997 7.000 1.00 0.27 N ATOM 892 CA GLY A 143 -4.623 -3.633 6.666 1.00 0.27 C ATOM 893 C GLY A 143 -4.032 -2.582 7.599 1.00 0.26 C ATOM 894 O GLY A 143 -4.517 -1.453 7.645 1.00 0.38 O ATOM 0 H GLY A 143 -3.527 -5.403 6.399 1.00 0.27 H new ATOM 0 HA2 GLY A 143 -4.307 -3.418 5.645 1.00 0.27 H new ATOM 0 HA3 GLY A 143 -5.710 -3.553 6.686 1.00 0.27 H new ATOM 898 N GLU A 144 -2.976 -2.942 8.323 1.00 0.17 N ATOM 899 CA GLU A 144 -2.282 -1.999 9.201 1.00 0.14 C ATOM 900 C GLU A 144 -0.813 -2.084 8.881 1.00 0.11 C ATOM 901 O GLU A 144 -0.264 -3.187 8.808 1.00 0.12 O ATOM 902 CB GLU A 144 -2.472 -2.346 10.671 1.00 0.18 C ATOM 903 CG GLU A 144 -3.866 -2.838 11.037 1.00 0.40 C ATOM 904 CD GLU A 144 -4.804 -1.724 11.435 1.00 0.84 C ATOM 905 OE1 GLU A 144 -5.602 -1.271 10.592 1.00 1.49 O ATOM 906 OE2 GLU A 144 -4.762 -1.305 12.612 1.00 1.44 O ATOM 0 H GLU A 144 -2.580 -3.882 8.320 1.00 0.17 H new ATOM 0 HA GLU A 144 -2.687 -1.000 9.036 1.00 0.14 H new ATOM 0 HB2 GLU A 144 -1.748 -3.113 10.945 1.00 0.18 H new ATOM 0 HB3 GLU A 144 -2.244 -1.464 11.270 1.00 0.18 H new ATOM 0 HG2 GLU A 144 -4.289 -3.375 10.188 1.00 0.40 H new ATOM 0 HG3 GLU A 144 -3.789 -3.550 11.858 1.00 0.40 H new ATOM 913 N PHE A 145 -0.158 -0.953 8.702 1.00 0.10 N ATOM 914 CA PHE A 145 1.196 -0.992 8.175 1.00 0.10 C ATOM 915 C PHE A 145 2.115 -0.107 9.006 1.00 0.09 C ATOM 916 O PHE A 145 1.659 0.574 9.912 1.00 0.10 O ATOM 917 CB PHE A 145 1.252 -0.569 6.693 1.00 0.16 C ATOM 918 CG PHE A 145 0.090 -0.983 5.799 1.00 0.18 C ATOM 919 CD1 PHE A 145 -0.538 -2.202 5.994 1.00 0.20 C ATOM 920 CD2 PHE A 145 -0.385 -0.165 4.793 1.00 0.25 C ATOM 921 CE1 PHE A 145 -1.601 -2.596 5.206 1.00 0.25 C ATOM 922 CE2 PHE A 145 -1.448 -0.552 3.998 1.00 0.30 C ATOM 923 CZ PHE A 145 -2.014 -1.712 4.125 1.00 0.27 C ATOM 0 H PHE A 145 -0.524 -0.023 8.905 1.00 0.10 H new ATOM 0 HA PHE A 145 1.538 -2.025 8.237 1.00 0.10 H new ATOM 0 HB2 PHE A 145 1.334 0.517 6.656 1.00 0.16 H new ATOM 0 HB3 PHE A 145 2.168 -0.973 6.262 1.00 0.16 H new ATOM 0 HD1 PHE A 145 -0.189 -2.857 6.778 1.00 0.20 H new ATOM 0 HD2 PHE A 145 0.082 0.794 4.624 1.00 0.25 H new ATOM 0 HE1 PHE A 145 -2.111 -3.531 5.386 1.00 0.25 H new ATOM 0 HE2 PHE A 145 -1.818 0.132 3.249 1.00 0.30 H new ATOM 0 HZ PHE A 145 -2.785 -2.020 3.435 1.00 0.27 H new ATOM 933 N THR A 146 3.406 -0.111 8.704 1.00 0.09 N ATOM 934 CA THR A 146 4.349 0.722 9.431 1.00 0.12 C ATOM 935 C THR A 146 4.893 1.831 8.577 1.00 0.12 C ATOM 936 O THR A 146 5.165 1.664 7.385 1.00 0.15 O ATOM 937 CB THR A 146 5.542 -0.069 9.974 1.00 0.15 C ATOM 938 OG1 THR A 146 6.053 -0.960 8.974 1.00 0.16 O ATOM 939 CG2 THR A 146 5.179 -0.832 11.215 1.00 0.19 C ATOM 0 H THR A 146 3.821 -0.679 7.965 1.00 0.09 H new ATOM 0 HA THR A 146 3.775 1.131 10.263 1.00 0.12 H new ATOM 0 HB THR A 146 6.319 0.648 10.238 1.00 0.15 H new ATOM 0 HG1 THR A 146 6.816 -1.456 9.337 1.00 0.16 H new ATOM 0 HG21 THR A 146 6.050 -1.381 11.572 1.00 0.19 H new ATOM 0 HG22 THR A 146 4.848 -0.136 11.986 1.00 0.19 H new ATOM 0 HG23 THR A 146 4.375 -1.533 10.989 1.00 0.19 H new ATOM 947 N VAL A 147 5.052 2.959 9.215 1.00 0.14 N ATOM 948 CA VAL A 147 5.590 4.141 8.586 1.00 0.15 C ATOM 949 C VAL A 147 7.053 4.340 8.970 1.00 0.23 C ATOM 950 O VAL A 147 7.380 4.478 10.150 1.00 0.29 O ATOM 951 CB VAL A 147 4.771 5.365 9.006 1.00 0.28 C ATOM 952 CG1 VAL A 147 5.459 6.652 8.580 1.00 0.86 C ATOM 953 CG2 VAL A 147 3.382 5.291 8.421 1.00 0.73 C ATOM 0 H VAL A 147 4.810 3.087 10.197 1.00 0.14 H new ATOM 0 HA VAL A 147 5.532 4.017 7.505 1.00 0.15 H new ATOM 0 HB VAL A 147 4.694 5.367 10.093 1.00 0.28 H new ATOM 0 HG11 VAL A 147 4.857 7.506 8.890 1.00 0.86 H new ATOM 0 HG12 VAL A 147 6.442 6.711 9.048 1.00 0.86 H new ATOM 0 HG13 VAL A 147 5.572 6.662 7.496 1.00 0.86 H new ATOM 0 HG21 VAL A 147 2.811 6.167 8.728 1.00 0.73 H new ATOM 0 HG22 VAL A 147 3.446 5.262 7.333 1.00 0.73 H new ATOM 0 HG23 VAL A 147 2.884 4.390 8.779 1.00 0.73 H new ATOM 963 N GLN A 148 7.933 4.345 7.979 1.00 0.37 N ATOM 964 CA GLN A 148 9.357 4.488 8.238 1.00 0.51 C ATOM 965 C GLN A 148 9.821 5.916 7.942 1.00 0.58 C ATOM 966 O GLN A 148 9.972 6.720 8.864 1.00 1.16 O ATOM 967 CB GLN A 148 10.147 3.468 7.416 1.00 0.57 C ATOM 968 CG GLN A 148 9.676 2.036 7.629 1.00 1.20 C ATOM 969 CD GLN A 148 10.355 1.042 6.709 1.00 1.71 C ATOM 970 OE1 GLN A 148 11.505 1.225 6.316 1.00 2.45 O ATOM 971 NE2 GLN A 148 9.647 -0.021 6.361 1.00 2.15 N ATOM 0 H GLN A 148 7.687 4.252 6.993 1.00 0.37 H new ATOM 0 HA GLN A 148 9.542 4.293 9.294 1.00 0.51 H new ATOM 0 HB2 GLN A 148 10.062 3.719 6.359 1.00 0.57 H new ATOM 0 HB3 GLN A 148 11.203 3.539 7.677 1.00 0.57 H new ATOM 0 HG2 GLN A 148 9.862 1.749 8.664 1.00 1.20 H new ATOM 0 HG3 GLN A 148 8.598 1.988 7.474 1.00 1.20 H new ATOM 0 HE21 GLN A 148 8.695 -0.136 6.709 1.00 2.15 H new ATOM 0 HE22 GLN A 148 10.053 -0.725 5.745 1.00 2.15 H new ATOM 980 N ALA A 149 10.017 6.240 6.665 1.00 0.40 N ATOM 981 CA ALA A 149 10.448 7.583 6.271 1.00 0.39 C ATOM 982 C ALA A 149 10.284 7.797 4.766 1.00 0.31 C ATOM 983 O ALA A 149 9.265 8.310 4.313 1.00 0.37 O ATOM 984 CB ALA A 149 11.891 7.833 6.694 1.00 0.49 C ATOM 0 H ALA A 149 9.885 5.594 5.887 1.00 0.40 H new ATOM 0 HA ALA A 149 9.809 8.302 6.784 1.00 0.39 H new ATOM 0 HB1 ALA A 149 12.190 8.836 6.391 1.00 0.49 H new ATOM 0 HB2 ALA A 149 11.974 7.741 7.777 1.00 0.49 H new ATOM 0 HB3 ALA A 149 12.542 7.101 6.217 1.00 0.49 H new ATOM 990 N ASN A 150 11.283 7.381 3.995 1.00 0.26 N ATOM 991 CA ASN A 150 11.216 7.452 2.534 1.00 0.24 C ATOM 992 C ASN A 150 10.612 6.190 2.009 1.00 0.19 C ATOM 993 O ASN A 150 10.453 5.999 0.805 1.00 0.20 O ATOM 994 CB ASN A 150 12.589 7.583 1.919 1.00 0.28 C ATOM 995 CG ASN A 150 13.317 8.849 2.329 1.00 0.39 C ATOM 996 OD1 ASN A 150 12.701 9.880 2.596 1.00 1.02 O ATOM 997 ND2 ASN A 150 14.637 8.780 2.392 1.00 1.00 N ATOM 0 H ASN A 150 12.153 6.989 4.356 1.00 0.26 H new ATOM 0 HA ASN A 150 10.619 8.326 2.275 1.00 0.24 H new ATOM 0 HB2 ASN A 150 13.190 6.719 2.204 1.00 0.28 H new ATOM 0 HB3 ASN A 150 12.496 7.562 0.833 1.00 0.28 H new ATOM 0 HD21 ASN A 150 15.178 9.599 2.669 1.00 1.00 H new ATOM 0 HD22 ASN A 150 15.114 7.908 2.163 1.00 1.00 H new ATOM 1004 N SER A 151 10.338 5.298 2.916 1.00 0.17 N ATOM 1005 CA SER A 151 9.651 4.100 2.578 1.00 0.20 C ATOM 1006 C SER A 151 8.616 3.786 3.646 1.00 0.20 C ATOM 1007 O SER A 151 8.832 4.037 4.832 1.00 0.27 O ATOM 1008 CB SER A 151 10.647 2.946 2.426 1.00 0.27 C ATOM 1009 OG SER A 151 11.533 2.884 3.533 1.00 0.94 O ATOM 0 H SER A 151 10.585 5.385 3.902 1.00 0.17 H new ATOM 0 HA SER A 151 9.138 4.233 1.625 1.00 0.20 H new ATOM 0 HB2 SER A 151 10.106 2.004 2.337 1.00 0.27 H new ATOM 0 HB3 SER A 151 11.218 3.074 1.506 1.00 0.27 H new ATOM 0 HG SER A 151 11.180 2.258 4.200 1.00 0.94 H new ATOM 1015 N ILE A 152 7.481 3.295 3.213 1.00 0.18 N ATOM 1016 CA ILE A 152 6.497 2.741 4.102 1.00 0.17 C ATOM 1017 C ILE A 152 6.575 1.231 3.969 1.00 0.17 C ATOM 1018 O ILE A 152 7.288 0.717 3.109 1.00 0.19 O ATOM 1019 CB ILE A 152 5.091 3.272 3.735 1.00 0.18 C ATOM 1020 CG1 ILE A 152 4.865 4.618 4.422 1.00 0.20 C ATOM 1021 CG2 ILE A 152 3.977 2.302 4.096 1.00 0.19 C ATOM 1022 CD1 ILE A 152 3.543 5.228 4.075 1.00 0.20 C ATOM 0 H ILE A 152 7.215 3.270 2.229 1.00 0.18 H new ATOM 0 HA ILE A 152 6.686 3.032 5.135 1.00 0.17 H new ATOM 0 HB ILE A 152 5.058 3.389 2.652 1.00 0.18 H new ATOM 0 HG12 ILE A 152 4.927 4.485 5.502 1.00 0.20 H new ATOM 0 HG13 ILE A 152 5.663 5.304 4.139 1.00 0.20 H new ATOM 0 HG21 ILE A 152 3.015 2.731 3.814 1.00 0.19 H new ATOM 0 HG22 ILE A 152 4.125 1.363 3.563 1.00 0.19 H new ATOM 0 HG23 ILE A 152 3.990 2.116 5.170 1.00 0.19 H new ATOM 0 HD11 ILE A 152 3.436 6.182 4.591 1.00 0.20 H new ATOM 0 HD12 ILE A 152 3.488 5.389 2.998 1.00 0.20 H new ATOM 0 HD13 ILE A 152 2.741 4.557 4.383 1.00 0.20 H new ATOM 1034 N GLU A 153 5.900 0.516 4.812 1.00 0.16 N ATOM 1035 CA GLU A 153 5.704 -0.877 4.563 1.00 0.14 C ATOM 1036 C GLU A 153 4.216 -1.090 4.465 1.00 0.23 C ATOM 1037 O GLU A 153 3.488 -0.467 5.210 1.00 0.56 O ATOM 1038 CB GLU A 153 6.285 -1.724 5.673 1.00 0.18 C ATOM 1039 CG GLU A 153 6.714 -3.082 5.163 1.00 0.27 C ATOM 1040 CD GLU A 153 7.513 -3.879 6.171 1.00 0.50 C ATOM 1041 OE1 GLU A 153 6.911 -4.689 6.904 1.00 0.97 O ATOM 1042 OE2 GLU A 153 8.743 -3.687 6.250 1.00 0.72 O ATOM 0 H GLU A 153 5.479 0.869 5.671 1.00 0.16 H new ATOM 0 HA GLU A 153 6.212 -1.175 3.645 1.00 0.14 H new ATOM 0 HB2 GLU A 153 7.140 -1.212 6.114 1.00 0.18 H new ATOM 0 HB3 GLU A 153 5.545 -1.848 6.464 1.00 0.18 H new ATOM 0 HG2 GLU A 153 5.829 -3.652 4.880 1.00 0.27 H new ATOM 0 HG3 GLU A 153 7.310 -2.951 4.260 1.00 0.27 H new ATOM 1049 N MET A 154 3.749 -1.902 3.537 1.00 0.13 N ATOM 1050 CA MET A 154 2.309 -2.131 3.421 1.00 0.13 C ATOM 1051 C MET A 154 1.979 -3.615 3.230 1.00 0.15 C ATOM 1052 O MET A 154 2.562 -4.288 2.379 1.00 0.18 O ATOM 1053 CB MET A 154 1.741 -1.282 2.264 1.00 0.19 C ATOM 1054 CG MET A 154 1.968 -1.866 0.874 1.00 0.94 C ATOM 1055 SD MET A 154 0.613 -2.936 0.339 1.00 0.73 S ATOM 1056 CE MET A 154 1.383 -3.819 -1.012 1.00 1.32 C ATOM 0 H MET A 154 4.324 -2.407 2.863 1.00 0.13 H new ATOM 0 HA MET A 154 1.838 -1.823 4.355 1.00 0.13 H new ATOM 0 HB2 MET A 154 0.670 -1.153 2.418 1.00 0.19 H new ATOM 0 HB3 MET A 154 2.191 -0.290 2.304 1.00 0.19 H new ATOM 0 HG2 MET A 154 2.088 -1.053 0.158 1.00 0.94 H new ATOM 0 HG3 MET A 154 2.898 -2.435 0.870 1.00 0.94 H new ATOM 0 HE1 MET A 154 0.831 -3.629 -1.932 1.00 1.32 H new ATOM 0 HE2 MET A 154 2.412 -3.479 -1.130 1.00 1.32 H new ATOM 0 HE3 MET A 154 1.377 -4.888 -0.799 1.00 1.32 H new ATOM 1066 N ILE A 155 1.084 -4.147 4.070 1.00 0.16 N ATOM 1067 CA ILE A 155 0.535 -5.467 3.834 1.00 0.19 C ATOM 1068 C ILE A 155 -0.402 -5.389 2.649 1.00 0.27 C ATOM 1069 O ILE A 155 -1.138 -4.411 2.503 1.00 0.33 O ATOM 1070 CB ILE A 155 -0.267 -6.039 5.028 1.00 0.23 C ATOM 1071 CG1 ILE A 155 0.130 -5.369 6.358 1.00 0.24 C ATOM 1072 CG2 ILE A 155 -0.055 -7.554 5.088 1.00 0.25 C ATOM 1073 CD1 ILE A 155 1.017 -6.198 7.249 1.00 0.24 C ATOM 0 H ILE A 155 0.734 -3.682 4.908 1.00 0.16 H new ATOM 0 HA ILE A 155 1.383 -6.130 3.665 1.00 0.19 H new ATOM 0 HB ILE A 155 -1.325 -5.825 4.877 1.00 0.23 H new ATOM 0 HG12 ILE A 155 0.638 -4.430 6.137 1.00 0.24 H new ATOM 0 HG13 ILE A 155 -0.778 -5.119 6.906 1.00 0.24 H new ATOM 0 HG21 ILE A 155 -0.616 -7.967 5.926 1.00 0.25 H new ATOM 0 HG22 ILE A 155 -0.403 -8.007 4.160 1.00 0.25 H new ATOM 0 HG23 ILE A 155 1.006 -7.768 5.221 1.00 0.25 H new ATOM 0 HD11 ILE A 155 1.241 -5.641 8.159 1.00 0.24 H new ATOM 0 HD12 ILE A 155 0.507 -7.126 7.508 1.00 0.24 H new ATOM 0 HD13 ILE A 155 1.946 -6.427 6.726 1.00 0.24 H new ATOM 1297 N VAL A 169 0.108 -11.036 3.299 1.00 0.38 N ATOM 1298 CA VAL A 169 1.491 -10.847 2.955 1.00 0.32 C ATOM 1299 C VAL A 169 1.775 -9.379 2.937 1.00 0.26 C ATOM 1300 O VAL A 169 0.933 -8.581 2.549 1.00 0.29 O ATOM 1301 CB VAL A 169 1.791 -11.340 1.544 1.00 0.38 C ATOM 1302 CG1 VAL A 169 3.087 -10.709 1.063 1.00 0.36 C ATOM 1303 CG2 VAL A 169 1.843 -12.858 1.485 1.00 0.48 C ATOM 0 HA VAL A 169 2.090 -11.396 3.682 1.00 0.32 H new ATOM 0 HB VAL A 169 0.984 -11.036 0.877 1.00 0.38 H new ATOM 0 HG11 VAL A 169 3.309 -11.057 0.054 1.00 0.36 H new ATOM 0 HG12 VAL A 169 2.984 -9.624 1.058 1.00 0.36 H new ATOM 0 HG13 VAL A 169 3.900 -10.993 1.731 1.00 0.36 H new ATOM 0 HG21 VAL A 169 2.059 -13.175 0.465 1.00 0.48 H new ATOM 0 HG22 VAL A 169 2.625 -13.221 2.151 1.00 0.48 H new ATOM 0 HG23 VAL A 169 0.882 -13.267 1.797 1.00 0.48 H new ATOM 1313 N ARG A 170 2.971 -9.040 3.279 1.00 0.23 N ATOM 1314 CA ARG A 170 3.351 -7.672 3.314 1.00 0.20 C ATOM 1315 C ARG A 170 4.488 -7.348 2.383 1.00 0.19 C ATOM 1316 O ARG A 170 5.386 -8.152 2.132 1.00 0.25 O ATOM 1317 CB ARG A 170 3.642 -7.276 4.725 1.00 0.26 C ATOM 1318 CG ARG A 170 4.519 -8.261 5.448 1.00 0.23 C ATOM 1319 CD ARG A 170 5.975 -8.142 5.053 1.00 0.39 C ATOM 1320 NE ARG A 170 6.758 -7.297 5.953 1.00 0.93 N ATOM 1321 CZ ARG A 170 7.881 -7.698 6.553 1.00 0.96 C ATOM 1322 NH1 ARG A 170 8.277 -8.965 6.464 1.00 1.39 N ATOM 1323 NH2 ARG A 170 8.596 -6.832 7.253 1.00 1.61 N ATOM 0 H ARG A 170 3.706 -9.697 3.540 1.00 0.23 H new ATOM 0 HA ARG A 170 2.514 -7.080 2.945 1.00 0.20 H new ATOM 0 HB2 ARG A 170 4.124 -6.299 4.729 1.00 0.26 H new ATOM 0 HB3 ARG A 170 2.702 -7.170 5.267 1.00 0.26 H new ATOM 0 HG2 ARG A 170 4.424 -8.106 6.523 1.00 0.23 H new ATOM 0 HG3 ARG A 170 4.171 -9.273 5.240 1.00 0.23 H new ATOM 0 HD2 ARG A 170 6.418 -9.138 5.026 1.00 0.39 H new ATOM 0 HD3 ARG A 170 6.037 -7.738 4.043 1.00 0.39 H new ATOM 0 HE ARG A 170 6.428 -6.349 6.132 1.00 0.93 H new ATOM 0 HH11 ARG A 170 7.721 -9.637 5.935 1.00 1.39 H new ATOM 0 HH12 ARG A 170 9.136 -9.264 6.925 1.00 1.39 H new ATOM 0 HH21 ARG A 170 8.288 -5.863 7.332 1.00 1.61 H new ATOM 0 HH22 ARG A 170 9.455 -7.134 7.713 1.00 1.61 H new ATOM 1337 N ALA A 171 4.394 -6.166 1.848 1.00 0.17 N ATOM 1338 CA ALA A 171 5.393 -5.643 0.962 1.00 0.16 C ATOM 1339 C ALA A 171 5.993 -4.374 1.538 1.00 0.16 C ATOM 1340 O ALA A 171 5.394 -3.731 2.394 1.00 0.20 O ATOM 1341 CB ALA A 171 4.795 -5.383 -0.407 1.00 0.16 C ATOM 0 H ALA A 171 3.614 -5.531 2.016 1.00 0.17 H new ATOM 0 HA ALA A 171 6.189 -6.379 0.854 1.00 0.16 H new ATOM 0 HB1 ALA A 171 5.564 -4.986 -1.070 1.00 0.16 H new ATOM 0 HB2 ALA A 171 4.407 -6.315 -0.818 1.00 0.16 H new ATOM 0 HB3 ALA A 171 3.984 -4.660 -0.318 1.00 0.16 H new ATOM 1347 N ARG A 172 7.169 -4.012 1.068 1.00 0.16 N ATOM 1348 CA ARG A 172 7.832 -2.821 1.553 1.00 0.18 C ATOM 1349 C ARG A 172 7.801 -1.783 0.479 1.00 0.18 C ATOM 1350 O ARG A 172 8.334 -1.958 -0.611 1.00 0.22 O ATOM 1351 CB ARG A 172 9.254 -3.087 2.028 1.00 0.24 C ATOM 1352 CG ARG A 172 10.044 -1.823 2.330 1.00 0.79 C ATOM 1353 CD ARG A 172 11.267 -2.122 3.179 1.00 1.08 C ATOM 1354 NE ARG A 172 10.897 -2.610 4.508 1.00 1.97 N ATOM 1355 CZ ARG A 172 11.709 -2.605 5.562 1.00 2.59 C ATOM 1356 NH1 ARG A 172 12.957 -2.161 5.449 1.00 2.48 N ATOM 1357 NH2 ARG A 172 11.264 -3.050 6.727 1.00 3.69 N ATOM 0 H ARG A 172 7.684 -4.525 0.352 1.00 0.16 H new ATOM 0 HA ARG A 172 7.294 -2.463 2.431 1.00 0.18 H new ATOM 0 HB2 ARG A 172 9.218 -3.706 2.925 1.00 0.24 H new ATOM 0 HB3 ARG A 172 9.781 -3.661 1.266 1.00 0.24 H new ATOM 0 HG2 ARG A 172 10.354 -1.354 1.396 1.00 0.79 H new ATOM 0 HG3 ARG A 172 9.405 -1.108 2.849 1.00 0.79 H new ATOM 0 HD2 ARG A 172 11.885 -2.866 2.677 1.00 1.08 H new ATOM 0 HD3 ARG A 172 11.871 -1.220 3.278 1.00 1.08 H new ATOM 0 HE ARG A 172 9.954 -2.978 4.635 1.00 1.97 H new ATOM 0 HH11 ARG A 172 13.298 -1.821 4.550 1.00 2.48 H new ATOM 0 HH12 ARG A 172 13.574 -2.160 6.262 1.00 2.48 H new ATOM 0 HH21 ARG A 172 10.307 -3.392 6.810 1.00 3.69 H new ATOM 0 HH22 ARG A 172 11.878 -3.050 7.541 1.00 3.69 H new ATOM 1371 N LEU A 173 7.168 -0.711 0.816 1.00 0.20 N ATOM 1372 CA LEU A 173 6.711 0.239 -0.139 1.00 0.24 C ATOM 1373 C LEU A 173 7.513 1.537 -0.046 1.00 0.25 C ATOM 1374 O LEU A 173 7.432 2.264 0.922 1.00 0.48 O ATOM 1375 CB LEU A 173 5.232 0.434 0.153 1.00 0.37 C ATOM 1376 CG LEU A 173 4.737 1.835 -0.001 1.00 0.19 C ATOM 1377 CD1 LEU A 173 4.515 2.156 -1.441 1.00 0.61 C ATOM 1378 CD2 LEU A 173 3.509 2.064 0.859 1.00 0.54 C ATOM 0 H LEU A 173 6.950 -0.466 1.782 1.00 0.20 H new ATOM 0 HA LEU A 173 6.852 -0.104 -1.164 1.00 0.24 H new ATOM 0 HB2 LEU A 173 4.658 -0.213 -0.510 1.00 0.37 H new ATOM 0 HB3 LEU A 173 5.032 0.104 1.172 1.00 0.37 H new ATOM 0 HG LEU A 173 5.498 2.529 0.357 1.00 0.19 H new ATOM 0 HD11 LEU A 173 4.155 3.180 -1.534 1.00 0.61 H new ATOM 0 HD12 LEU A 173 5.453 2.050 -1.986 1.00 0.61 H new ATOM 0 HD13 LEU A 173 3.775 1.472 -1.856 1.00 0.61 H new ATOM 0 HD21 LEU A 173 3.163 3.090 0.733 1.00 0.54 H new ATOM 0 HD22 LEU A 173 2.720 1.375 0.557 1.00 0.54 H new ATOM 0 HD23 LEU A 173 3.760 1.891 1.905 1.00 0.54 H new ATOM 1390 N THR A 174 8.271 1.831 -1.074 1.00 0.17 N ATOM 1391 CA THR A 174 9.212 2.932 -1.030 1.00 0.15 C ATOM 1392 C THR A 174 8.815 4.056 -1.952 1.00 0.13 C ATOM 1393 O THR A 174 8.191 3.827 -2.984 1.00 0.12 O ATOM 1394 CB THR A 174 10.614 2.443 -1.399 1.00 0.18 C ATOM 1395 OG1 THR A 174 11.079 1.497 -0.431 1.00 0.21 O ATOM 1396 CG2 THR A 174 11.563 3.614 -1.500 1.00 0.20 C ATOM 0 H THR A 174 8.257 1.322 -1.958 1.00 0.17 H new ATOM 0 HA THR A 174 9.208 3.317 -0.010 1.00 0.15 H new ATOM 0 HB THR A 174 10.572 1.948 -2.369 1.00 0.18 H new ATOM 0 HG1 THR A 174 11.976 1.190 -0.678 1.00 0.21 H new ATOM 0 HG21 THR A 174 12.558 3.254 -1.763 1.00 0.20 H new ATOM 0 HG22 THR A 174 11.211 4.302 -2.268 1.00 0.20 H new ATOM 0 HG23 THR A 174 11.606 4.131 -0.542 1.00 0.20 H new ATOM 1404 N PHE A 175 9.169 5.275 -1.564 1.00 0.16 N ATOM 1405 CA PHE A 175 8.933 6.425 -2.395 1.00 0.17 C ATOM 1406 C PHE A 175 10.237 7.108 -2.794 1.00 0.19 C ATOM 1407 O PHE A 175 10.916 7.714 -1.969 1.00 0.32 O ATOM 1408 CB PHE A 175 8.038 7.397 -1.693 1.00 0.30 C ATOM 1409 CG PHE A 175 7.321 6.788 -0.548 1.00 0.18 C ATOM 1410 CD1 PHE A 175 6.154 6.067 -0.718 1.00 0.16 C ATOM 1411 CD2 PHE A 175 7.819 6.964 0.711 1.00 0.21 C ATOM 1412 CE1 PHE A 175 5.510 5.537 0.377 1.00 0.17 C ATOM 1413 CE2 PHE A 175 7.196 6.446 1.797 1.00 0.22 C ATOM 1414 CZ PHE A 175 5.950 5.587 1.509 1.00 0.15 C ATOM 0 H PHE A 175 9.622 5.482 -0.674 1.00 0.16 H new ATOM 0 HA PHE A 175 8.445 6.079 -3.306 1.00 0.17 H new ATOM 0 HB2 PHE A 175 8.631 8.240 -1.339 1.00 0.30 H new ATOM 0 HB3 PHE A 175 7.312 7.794 -2.402 1.00 0.30 H new ATOM 0 HD1 PHE A 175 5.748 5.920 -1.708 1.00 0.16 H new ATOM 0 HD2 PHE A 175 8.730 7.529 0.844 1.00 0.21 H new ATOM 0 HE1 PHE A 175 4.559 5.049 0.221 1.00 0.17 H new ATOM 0 HE2 PHE A 175 7.551 6.624 2.801 1.00 0.22 H new ATOM 0 HZ PHE A 175 5.472 5.035 2.305 1.00 0.15 H new ATOM 1424 N ASP A 176 10.562 7.010 -4.069 1.00 0.16 N ATOM 1425 CA ASP A 176 11.796 7.584 -4.613 1.00 0.20 C ATOM 1426 C ASP A 176 11.548 8.975 -5.181 1.00 0.19 C ATOM 1427 O ASP A 176 10.919 9.131 -6.228 1.00 0.20 O ATOM 1428 CB ASP A 176 12.375 6.665 -5.699 1.00 0.29 C ATOM 1429 CG ASP A 176 13.386 7.347 -6.608 1.00 0.40 C ATOM 1430 OD1 ASP A 176 13.275 7.227 -7.844 1.00 0.74 O ATOM 1431 OD2 ASP A 176 14.292 8.030 -6.077 1.00 0.68 O ATOM 0 H ASP A 176 9.985 6.533 -4.762 1.00 0.16 H new ATOM 0 HA ASP A 176 12.516 7.672 -3.800 1.00 0.20 H new ATOM 0 HB2 ASP A 176 12.850 5.809 -5.221 1.00 0.29 H new ATOM 0 HB3 ASP A 176 11.558 6.277 -6.307 1.00 0.29 H new ATOM 1436 N GLY A 177 12.025 9.982 -4.479 1.00 0.21 N ATOM 1437 CA GLY A 177 11.922 11.332 -4.980 1.00 0.23 C ATOM 1438 C GLY A 177 10.577 11.954 -4.722 1.00 0.23 C ATOM 1439 O GLY A 177 10.185 12.172 -3.574 1.00 0.27 O ATOM 0 H GLY A 177 12.482 9.892 -3.572 1.00 0.21 H new ATOM 0 HA2 GLY A 177 12.695 11.945 -4.517 1.00 0.23 H new ATOM 0 HA3 GLY A 177 12.116 11.331 -6.053 1.00 0.23 H new ATOM 1443 N ASP A 178 9.879 12.244 -5.803 1.00 0.22 N ATOM 1444 CA ASP A 178 8.564 12.847 -5.732 1.00 0.26 C ATOM 1445 C ASP A 178 7.588 11.826 -6.221 1.00 0.23 C ATOM 1446 O ASP A 178 6.425 12.120 -6.453 1.00 0.25 O ATOM 1447 CB ASP A 178 8.479 14.078 -6.630 1.00 0.34 C ATOM 1448 CG ASP A 178 7.396 15.049 -6.207 1.00 1.10 C ATOM 1449 OD1 ASP A 178 7.575 15.731 -5.176 1.00 1.61 O ATOM 1450 OD2 ASP A 178 6.385 15.175 -6.925 1.00 1.34 O ATOM 0 H ASP A 178 10.207 12.068 -6.753 1.00 0.22 H new ATOM 0 HA ASP A 178 8.353 13.158 -4.709 1.00 0.26 H new ATOM 0 HB2 ASP A 178 9.441 14.591 -6.625 1.00 0.34 H new ATOM 0 HB3 ASP A 178 8.293 13.760 -7.656 1.00 0.34 H new ATOM 1455 N HIS A 179 8.087 10.607 -6.371 1.00 0.19 N ATOM 1456 CA HIS A 179 7.284 9.523 -6.883 1.00 0.17 C ATOM 1457 C HIS A 179 7.496 8.230 -6.126 1.00 0.13 C ATOM 1458 O HIS A 179 8.483 8.062 -5.427 1.00 0.13 O ATOM 1459 CB HIS A 179 7.586 9.323 -8.372 1.00 0.22 C ATOM 1460 CG HIS A 179 8.984 8.875 -8.694 1.00 0.26 C ATOM 1461 ND1 HIS A 179 9.928 9.712 -9.239 1.00 1.28 N ATOM 1462 CD2 HIS A 179 9.594 7.673 -8.557 1.00 0.93 C ATOM 1463 CE1 HIS A 179 11.052 9.050 -9.420 1.00 1.05 C ATOM 1464 NE2 HIS A 179 10.881 7.809 -9.013 1.00 0.45 N ATOM 0 H HIS A 179 9.048 10.351 -6.143 1.00 0.19 H new ATOM 0 HA HIS A 179 6.238 9.797 -6.747 1.00 0.17 H new ATOM 0 HB2 HIS A 179 6.887 8.588 -8.771 1.00 0.22 H new ATOM 0 HB3 HIS A 179 7.395 10.261 -8.893 1.00 0.22 H new ATOM 0 HD2 HIS A 179 9.149 6.772 -8.161 1.00 0.93 H new ATOM 0 HE1 HIS A 179 11.963 9.457 -9.834 1.00 1.05 H new ATOM 0 HE2 HIS A 179 11.587 7.073 -9.033 1.00 0.45 H new ATOM 1473 N LEU A 180 6.535 7.320 -6.263 1.00 0.13 N ATOM 1474 CA LEU A 180 6.668 5.999 -5.676 1.00 0.12 C ATOM 1475 C LEU A 180 7.820 5.264 -6.293 1.00 0.14 C ATOM 1476 O LEU A 180 8.002 5.260 -7.509 1.00 0.22 O ATOM 1477 CB LEU A 180 5.401 5.190 -5.867 1.00 0.17 C ATOM 1478 CG LEU A 180 5.201 4.133 -4.802 1.00 0.15 C ATOM 1479 CD1 LEU A 180 5.395 4.780 -3.459 1.00 0.14 C ATOM 1480 CD2 LEU A 180 3.827 3.516 -4.893 1.00 0.20 C ATOM 0 H LEU A 180 5.665 7.475 -6.772 1.00 0.13 H new ATOM 0 HA LEU A 180 6.849 6.128 -4.609 1.00 0.12 H new ATOM 0 HB2 LEU A 180 4.544 5.864 -5.866 1.00 0.17 H new ATOM 0 HB3 LEU A 180 5.428 4.710 -6.845 1.00 0.17 H new ATOM 0 HG LEU A 180 5.925 3.331 -4.946 1.00 0.15 H new ATOM 0 HD11 LEU A 180 5.256 4.037 -2.674 1.00 0.14 H new ATOM 0 HD12 LEU A 180 6.403 5.191 -3.395 1.00 0.14 H new ATOM 0 HD13 LEU A 180 4.668 5.582 -3.333 1.00 0.14 H new ATOM 0 HD21 LEU A 180 3.715 2.761 -4.115 1.00 0.20 H new ATOM 0 HD22 LEU A 180 3.071 4.290 -4.759 1.00 0.20 H new ATOM 0 HD23 LEU A 180 3.701 3.051 -5.871 1.00 0.20 H new ATOM 1492 N ALA A 181 8.596 4.646 -5.436 1.00 0.12 N ATOM 1493 CA ALA A 181 9.770 3.955 -5.849 1.00 0.13 C ATOM 1494 C ALA A 181 9.465 2.519 -6.207 1.00 0.14 C ATOM 1495 O ALA A 181 9.858 2.028 -7.263 1.00 0.15 O ATOM 1496 CB ALA A 181 10.776 3.998 -4.734 1.00 0.13 C ATOM 0 H ALA A 181 8.421 4.614 -4.432 1.00 0.12 H new ATOM 0 HA ALA A 181 10.169 4.443 -6.738 1.00 0.13 H new ATOM 0 HB1 ALA A 181 11.680 3.471 -5.039 1.00 0.13 H new ATOM 0 HB2 ALA A 181 11.020 5.035 -4.504 1.00 0.13 H new ATOM 0 HB3 ALA A 181 10.358 3.519 -3.849 1.00 0.13 H new ATOM 1502 N THR A 182 8.766 1.856 -5.304 1.00 0.15 N ATOM 1503 CA THR A 182 8.506 0.441 -5.425 1.00 0.18 C ATOM 1504 C THR A 182 7.743 -0.053 -4.227 1.00 0.17 C ATOM 1505 O THR A 182 7.468 0.691 -3.287 1.00 0.16 O ATOM 1506 CB THR A 182 9.814 -0.355 -5.510 1.00 0.22 C ATOM 1507 OG1 THR A 182 9.574 -1.678 -6.014 1.00 0.28 O ATOM 1508 CG2 THR A 182 10.433 -0.425 -4.126 1.00 0.24 C ATOM 0 H THR A 182 8.365 2.285 -4.470 1.00 0.15 H new ATOM 0 HA THR A 182 7.926 0.295 -6.336 1.00 0.18 H new ATOM 0 HB THR A 182 10.497 0.145 -6.197 1.00 0.22 H new ATOM 0 HG1 THR A 182 10.421 -2.168 -6.062 1.00 0.28 H new ATOM 0 HG21 THR A 182 11.365 -0.989 -4.172 1.00 0.24 H new ATOM 0 HG22 THR A 182 10.637 0.584 -3.767 1.00 0.24 H new ATOM 0 HG23 THR A 182 9.743 -0.920 -3.443 1.00 0.24 H new ATOM 1516 N ILE A 183 7.443 -1.323 -4.281 1.00 0.20 N ATOM 1517 CA ILE A 183 6.748 -2.033 -3.255 1.00 0.18 C ATOM 1518 C ILE A 183 7.189 -3.468 -3.369 1.00 0.20 C ATOM 1519 O ILE A 183 7.107 -4.045 -4.445 1.00 0.28 O ATOM 1520 CB ILE A 183 5.242 -1.947 -3.437 1.00 0.19 C ATOM 1521 CG1 ILE A 183 4.781 -0.559 -3.050 1.00 0.18 C ATOM 1522 CG2 ILE A 183 4.565 -3.020 -2.620 1.00 0.19 C ATOM 1523 CD1 ILE A 183 4.466 0.329 -4.221 1.00 0.20 C ATOM 0 H ILE A 183 7.689 -1.911 -5.077 1.00 0.20 H new ATOM 0 HA ILE A 183 6.974 -1.606 -2.278 1.00 0.18 H new ATOM 0 HB ILE A 183 4.972 -2.117 -4.479 1.00 0.19 H new ATOM 0 HG12 ILE A 183 3.894 -0.644 -2.422 1.00 0.18 H new ATOM 0 HG13 ILE A 183 5.555 -0.085 -2.446 1.00 0.18 H new ATOM 0 HG21 ILE A 183 3.485 -2.953 -2.755 1.00 0.19 H new ATOM 0 HG22 ILE A 183 4.912 -4.000 -2.948 1.00 0.19 H new ATOM 0 HG23 ILE A 183 4.808 -2.883 -1.566 1.00 0.19 H new ATOM 0 HD11 ILE A 183 4.143 1.306 -3.861 1.00 0.20 H new ATOM 0 HD12 ILE A 183 5.357 0.447 -4.838 1.00 0.20 H new ATOM 0 HD13 ILE A 183 3.670 -0.120 -4.815 1.00 0.20 H new ATOM 1535 N VAL A 184 7.689 -4.029 -2.304 1.00 0.21 N ATOM 1536 CA VAL A 184 8.342 -5.312 -2.395 1.00 0.24 C ATOM 1537 C VAL A 184 7.706 -6.357 -1.533 1.00 0.23 C ATOM 1538 O VAL A 184 7.683 -6.207 -0.324 1.00 0.22 O ATOM 1539 CB VAL A 184 9.790 -5.194 -1.958 1.00 0.29 C ATOM 1540 CG1 VAL A 184 10.467 -6.550 -1.996 1.00 0.33 C ATOM 1541 CG2 VAL A 184 10.502 -4.158 -2.812 1.00 0.34 C ATOM 0 H VAL A 184 7.660 -3.625 -1.368 1.00 0.21 H new ATOM 0 HA VAL A 184 8.256 -5.615 -3.439 1.00 0.24 H new ATOM 0 HB VAL A 184 9.837 -4.851 -0.924 1.00 0.29 H new ATOM 0 HG11 VAL A 184 11.505 -6.447 -1.680 1.00 0.33 H new ATOM 0 HG12 VAL A 184 9.949 -7.234 -1.324 1.00 0.33 H new ATOM 0 HG13 VAL A 184 10.435 -6.945 -3.012 1.00 0.33 H new ATOM 0 HG21 VAL A 184 11.542 -4.077 -2.494 1.00 0.34 H new ATOM 0 HG22 VAL A 184 10.465 -4.461 -3.858 1.00 0.34 H new ATOM 0 HG23 VAL A 184 10.011 -3.192 -2.697 1.00 0.34 H new ATOM 1551 N ASN A 185 7.266 -7.441 -2.150 1.00 0.29 N ATOM 1552 CA ASN A 185 6.800 -8.599 -1.407 1.00 0.32 C ATOM 1553 C ASN A 185 7.927 -9.073 -0.545 1.00 0.33 C ATOM 1554 O ASN A 185 8.772 -9.825 -0.975 1.00 0.40 O ATOM 1555 CB ASN A 185 6.385 -9.712 -2.375 1.00 0.44 C ATOM 1556 CG ASN A 185 5.898 -10.971 -1.683 1.00 0.98 C ATOM 1557 OD1 ASN A 185 6.695 -11.812 -1.270 1.00 1.64 O ATOM 1558 ND2 ASN A 185 4.590 -11.124 -1.584 1.00 1.57 N ATOM 0 H ASN A 185 7.222 -7.543 -3.164 1.00 0.29 H new ATOM 0 HA ASN A 185 5.936 -8.334 -0.797 1.00 0.32 H new ATOM 0 HB2 ASN A 185 5.596 -9.338 -3.028 1.00 0.44 H new ATOM 0 HB3 ASN A 185 7.233 -9.963 -3.012 1.00 0.44 H new ATOM 0 HD21 ASN A 185 4.206 -11.964 -1.152 1.00 1.57 H new ATOM 0 HD22 ASN A 185 3.964 -10.402 -1.940 1.00 1.57 H new ATOM 1565 N MET A 186 7.897 -8.612 0.679 1.00 0.31 N ATOM 1566 CA MET A 186 8.998 -8.712 1.613 1.00 0.36 C ATOM 1567 C MET A 186 9.357 -10.121 1.927 1.00 0.43 C ATOM 1568 O MET A 186 10.425 -10.410 2.470 1.00 0.53 O ATOM 1569 CB MET A 186 8.595 -7.993 2.866 1.00 0.36 C ATOM 1570 CG MET A 186 8.713 -6.501 2.747 1.00 0.34 C ATOM 1571 SD MET A 186 10.425 -5.964 2.567 1.00 0.94 S ATOM 1572 CE MET A 186 11.101 -6.421 4.164 1.00 1.42 C ATOM 0 H MET A 186 7.081 -8.141 1.069 1.00 0.31 H new ATOM 0 HA MET A 186 9.884 -8.264 1.162 1.00 0.36 H new ATOM 0 HB2 MET A 186 7.565 -8.252 3.113 1.00 0.36 H new ATOM 0 HB3 MET A 186 9.217 -8.337 3.692 1.00 0.36 H new ATOM 0 HG2 MET A 186 8.135 -6.160 1.888 1.00 0.34 H new ATOM 0 HG3 MET A 186 8.278 -6.032 3.630 1.00 0.34 H new ATOM 0 HE1 MET A 186 12.005 -5.843 4.355 1.00 1.42 H new ATOM 0 HE2 MET A 186 10.367 -6.214 4.943 1.00 1.42 H new ATOM 0 HE3 MET A 186 11.343 -7.484 4.166 1.00 1.42 H new ATOM 1582 N GLU A 187 8.460 -10.988 1.587 1.00 0.43 N ATOM 1583 CA GLU A 187 8.632 -12.361 1.842 1.00 0.51 C ATOM 1584 C GLU A 187 9.620 -12.950 0.877 1.00 0.59 C ATOM 1585 O GLU A 187 10.490 -13.741 1.241 1.00 0.68 O ATOM 1586 CB GLU A 187 7.290 -13.017 1.717 1.00 0.50 C ATOM 1587 CG GLU A 187 6.182 -12.149 2.284 1.00 0.42 C ATOM 1588 CD GLU A 187 5.106 -12.935 3.004 1.00 0.49 C ATOM 1589 OE1 GLU A 187 4.564 -12.430 4.012 1.00 0.64 O ATOM 1590 OE2 GLU A 187 4.796 -14.068 2.564 1.00 0.67 O ATOM 0 H GLU A 187 7.584 -10.751 1.121 1.00 0.43 H new ATOM 0 HA GLU A 187 9.029 -12.522 2.844 1.00 0.51 H new ATOM 0 HB2 GLU A 187 7.085 -13.228 0.667 1.00 0.50 H new ATOM 0 HB3 GLU A 187 7.304 -13.974 2.238 1.00 0.50 H new ATOM 0 HG2 GLU A 187 6.616 -11.426 2.974 1.00 0.42 H new ATOM 0 HG3 GLU A 187 5.725 -11.582 1.473 1.00 0.42 H new ATOM 1597 N ASN A 188 9.474 -12.548 -0.356 1.00 0.58 N ATOM 1598 CA ASN A 188 10.388 -12.975 -1.394 1.00 0.67 C ATOM 1599 C ASN A 188 11.426 -11.917 -1.708 1.00 0.64 C ATOM 1600 O ASN A 188 12.550 -12.248 -2.081 1.00 0.74 O ATOM 1601 CB ASN A 188 9.649 -13.375 -2.674 1.00 0.73 C ATOM 1602 CG ASN A 188 8.829 -14.641 -2.518 1.00 1.45 C ATOM 1603 OD1 ASN A 188 8.289 -14.926 -1.450 1.00 2.36 O ATOM 1604 ND2 ASN A 188 8.737 -15.417 -3.583 1.00 1.95 N ATOM 0 H ASN A 188 8.731 -11.924 -0.672 1.00 0.58 H new ATOM 0 HA ASN A 188 10.902 -13.853 -1.003 1.00 0.67 H new ATOM 0 HB2 ASN A 188 8.993 -12.559 -2.977 1.00 0.73 H new ATOM 0 HB3 ASN A 188 10.374 -13.516 -3.476 1.00 0.73 H new ATOM 0 HD21 ASN A 188 8.204 -16.286 -3.537 1.00 1.95 H new ATOM 0 HD22 ASN A 188 9.199 -15.148 -4.452 1.00 1.95 H new ATOM 1611 N ASN A 189 11.034 -10.647 -1.534 1.00 0.53 N ATOM 1612 CA ASN A 189 11.879 -9.479 -1.758 1.00 0.52 C ATOM 1613 C ASN A 189 12.734 -9.541 -3.034 1.00 0.61 C ATOM 1614 O ASN A 189 13.707 -8.798 -3.166 1.00 0.71 O ATOM 1615 CB ASN A 189 12.725 -9.230 -0.512 1.00 0.59 C ATOM 1616 CG ASN A 189 13.884 -10.202 -0.325 1.00 1.12 C ATOM 1617 OD1 ASN A 189 13.747 -11.229 0.341 1.00 1.80 O ATOM 1618 ND2 ASN A 189 15.034 -9.881 -0.898 1.00 1.74 N ATOM 0 H ASN A 189 10.093 -10.404 -1.225 1.00 0.53 H new ATOM 0 HA ASN A 189 11.215 -8.632 -1.933 1.00 0.52 H new ATOM 0 HB2 ASN A 189 13.122 -8.216 -0.556 1.00 0.59 H new ATOM 0 HB3 ASN A 189 12.080 -9.282 0.365 1.00 0.59 H new ATOM 0 HD21 ASN A 189 15.844 -10.493 -0.795 1.00 1.74 H new ATOM 0 HD22 ASN A 189 15.110 -9.022 -1.443 1.00 1.74 H new