USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 662 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 487 GLN : amide:sc= -3.07 K(o=-3.5,f=-8.2!) USER MOD Set 1.2: A 489 TYR OH : rot 130:sc= -0.431 USER MOD Single : A 480 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 486 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 503 HIS : no HD1:sc= -1.25 X(o=-1.2,f=-1.2) USER MOD Single : A 510 ASN : amide:sc= -0.175 X(o=-0.18,f=0) USER MOD Single : A 515 SER OG : rot 180:sc= 0 USER MOD Single : A 516 SER OG : rot 180:sc= 0 USER MOD Single : A 518 TYR OH : rot -52:sc= 0.395 USER MOD Single : A 521 ASN : amide:sc= -0.165 K(o=-0.16,f=-2.8!) USER MOD Single : A 523 LYS NZ :NH3+ -154:sc= 0.593 (180deg=0.21) USER MOD Single : A 527 SER OG : rot 180:sc= -0.0315 USER MOD Single : A 528 HIS : no HD1:sc= -0.931 K(o=-0.93,f=-3.6) USER MOD Single : A 529 SER OG : rot -90:sc= -0.213 USER MOD Single : A 530 THR OG1 : rot 180:sc= -0.187 USER MOD Single : A 535 LYS NZ :NH3+ -168:sc= -0.0237 (180deg=-0.24) USER MOD Single : A 537 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 543 GLN : amide:sc= -0.959 K(o=-0.96,f=-2.3) USER MOD Single : A 544 HIS : no HD1:sc= -0.0422 X(o=-0.042,f=-0.099) USER MOD Single : A 546 THR OG1 : rot 180:sc= 0 USER MOD Single : A 548 THR OG1 : rot 180:sc= 0 USER MOD Single : A 552 ASN : amide:sc= -2.7 K(o=-2.7,f=-5.5!) USER MOD Single : A 553 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 555 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 556 ASN :FLIP amide:sc= 0.601 F(o=-0.0065,f=0.6) USER MOD Single : A 557 MET CE :methyl 140:sc= -0.2 (180deg=-0.932) USER MOD Single : A 558 GLN : amide:sc= -1.04 K(o=-1,f=-2.3) USER MOD Single : A 564 GLN : amide:sc= -0.324 X(o=-0.32,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 480 -0.240 -0.373 -1.521 1.00 41.13 N ATOM 2 CA MET A 480 1.195 -0.125 -1.596 1.00 23.22 C ATOM 3 C MET A 480 1.958 -1.422 -1.849 1.00 3.40 C ATOM 4 O MET A 480 3.013 -1.657 -1.260 1.00 72.20 O ATOM 5 CB MET A 480 1.690 0.527 -0.303 1.00 53.02 C ATOM 6 CG MET A 480 2.981 1.310 -0.473 1.00 44.12 C ATOM 7 SD MET A 480 3.622 1.941 1.090 1.00 53.33 S ATOM 8 CE MET A 480 5.066 2.838 0.526 1.00 24.14 C ATOM 0 HA MET A 480 1.378 0.553 -2.430 1.00 23.22 H new ATOM 0 HB2 MET A 480 0.917 1.195 0.076 1.00 53.02 H new ATOM 0 HB3 MET A 480 1.840 -0.247 0.450 1.00 53.02 H new ATOM 0 HG2 MET A 480 3.731 0.670 -0.937 1.00 44.12 H new ATOM 0 HG3 MET A 480 2.809 2.144 -1.154 1.00 44.12 H new ATOM 0 HE1 MET A 480 5.572 3.287 1.381 1.00 24.14 H new ATOM 0 HE2 MET A 480 5.746 2.152 0.021 1.00 24.14 H new ATOM 0 HE3 MET A 480 4.760 3.621 -0.167 1.00 24.14 H new ATOM 18 N ALA A 481 1.418 -2.259 -2.728 1.00 51.13 N ATOM 19 CA ALA A 481 2.049 -3.530 -3.060 1.00 60.21 C ATOM 20 C ALA A 481 2.747 -3.460 -4.414 1.00 55.03 C ATOM 21 O ALA A 481 2.715 -2.429 -5.087 1.00 33.31 O ATOM 22 CB ALA A 481 1.018 -4.649 -3.053 1.00 30.13 C ATOM 0 H ALA A 481 0.545 -2.080 -3.223 1.00 51.13 H new ATOM 0 HA ALA A 481 2.804 -3.741 -2.302 1.00 60.21 H new ATOM 0 HB1 ALA A 481 1.503 -5.592 -3.303 1.00 30.13 H new ATOM 0 HB2 ALA A 481 0.568 -4.723 -2.063 1.00 30.13 H new ATOM 0 HB3 ALA A 481 0.243 -4.434 -3.788 1.00 30.13 H new ATOM 28 N ASP A 482 3.376 -4.561 -4.808 1.00 22.41 N ATOM 29 CA ASP A 482 4.082 -4.625 -6.083 1.00 14.33 C ATOM 30 C ASP A 482 3.165 -5.145 -7.186 1.00 22.13 C ATOM 31 O ASP A 482 3.267 -4.729 -8.340 1.00 11.23 O ATOM 32 CB ASP A 482 5.316 -5.520 -5.963 1.00 73.31 C ATOM 33 CG ASP A 482 6.508 -4.967 -6.719 1.00 72.30 C ATOM 34 OD1 ASP A 482 7.179 -5.750 -7.423 1.00 74.42 O ATOM 35 OD2 ASP A 482 6.771 -3.751 -6.606 1.00 33.52 O ATOM 0 H ASP A 482 3.412 -5.422 -4.263 1.00 22.41 H new ATOM 0 HA ASP A 482 4.400 -3.616 -6.346 1.00 14.33 H new ATOM 0 HB2 ASP A 482 5.578 -5.634 -4.911 1.00 73.31 H new ATOM 0 HB3 ASP A 482 5.078 -6.514 -6.342 1.00 73.31 H new ATOM 40 N VAL A 483 2.271 -6.059 -6.823 1.00 14.12 N ATOM 41 CA VAL A 483 1.336 -6.637 -7.781 1.00 51.41 C ATOM 42 C VAL A 483 -0.091 -6.600 -7.247 1.00 35.52 C ATOM 43 O VAL A 483 -1.036 -6.327 -7.987 1.00 23.25 O ATOM 44 CB VAL A 483 1.708 -8.092 -8.121 1.00 44.12 C ATOM 45 CG1 VAL A 483 1.815 -8.926 -6.854 1.00 21.03 C ATOM 46 CG2 VAL A 483 0.691 -8.692 -9.080 1.00 41.30 C ATOM 0 H VAL A 483 2.174 -6.415 -5.872 1.00 14.12 H new ATOM 0 HA VAL A 483 1.398 -6.033 -8.687 1.00 51.41 H new ATOM 0 HB VAL A 483 2.681 -8.094 -8.612 1.00 44.12 H new ATOM 0 HG11 VAL A 483 2.079 -9.951 -7.114 1.00 21.03 H new ATOM 0 HG12 VAL A 483 2.585 -8.507 -6.206 1.00 21.03 H new ATOM 0 HG13 VAL A 483 0.858 -8.919 -6.332 1.00 21.03 H new ATOM 0 HG21 VAL A 483 0.970 -9.720 -9.309 1.00 41.30 H new ATOM 0 HG22 VAL A 483 -0.296 -8.678 -8.619 1.00 41.30 H new ATOM 0 HG23 VAL A 483 0.670 -8.108 -10.000 1.00 41.30 H new ATOM 56 N GLY A 484 -0.241 -6.878 -5.955 1.00 74.11 N ATOM 57 CA GLY A 484 -1.557 -6.872 -5.343 1.00 11.32 C ATOM 58 C GLY A 484 -1.909 -8.204 -4.712 1.00 34.22 C ATOM 59 O GLY A 484 -3.078 -8.589 -4.670 1.00 71.31 O ATOM 0 H GLY A 484 0.525 -7.107 -5.322 1.00 74.11 H new ATOM 0 HA2 GLY A 484 -1.597 -6.092 -4.583 1.00 11.32 H new ATOM 0 HA3 GLY A 484 -2.304 -6.622 -6.097 1.00 11.32 H new ATOM 63 N ASP A 485 -0.897 -8.911 -4.221 1.00 51.51 N ATOM 64 CA ASP A 485 -1.105 -10.208 -3.590 1.00 35.44 C ATOM 65 C ASP A 485 -1.970 -10.072 -2.340 1.00 60.21 C ATOM 66 O ASP A 485 -1.465 -9.804 -1.250 1.00 61.53 O ATOM 67 CB ASP A 485 0.237 -10.845 -3.229 1.00 24.42 C ATOM 68 CG ASP A 485 0.255 -12.340 -3.480 1.00 21.42 C ATOM 69 OD1 ASP A 485 0.112 -13.108 -2.505 1.00 2.13 O ATOM 70 OD2 ASP A 485 0.411 -12.743 -4.651 1.00 72.14 O ATOM 0 H ASP A 485 0.076 -8.607 -4.248 1.00 51.51 H new ATOM 0 HA ASP A 485 -1.624 -10.851 -4.301 1.00 35.44 H new ATOM 0 HB2 ASP A 485 1.028 -10.372 -3.811 1.00 24.42 H new ATOM 0 HB3 ASP A 485 0.456 -10.653 -2.179 1.00 24.42 H new ATOM 75 N MET A 486 -3.275 -10.257 -2.507 1.00 34.51 N ATOM 76 CA MET A 486 -4.210 -10.155 -1.392 1.00 60.30 C ATOM 77 C MET A 486 -5.075 -11.408 -1.291 1.00 40.42 C ATOM 78 O MET A 486 -5.805 -11.744 -2.223 1.00 33.12 O ATOM 79 CB MET A 486 -5.098 -8.920 -1.554 1.00 44.24 C ATOM 80 CG MET A 486 -6.069 -8.714 -0.404 1.00 32.24 C ATOM 81 SD MET A 486 -7.545 -7.802 -0.895 1.00 60.21 S ATOM 82 CE MET A 486 -7.129 -6.154 -0.330 1.00 23.44 C ATOM 0 H MET A 486 -3.709 -10.478 -3.403 1.00 34.51 H new ATOM 0 HA MET A 486 -3.631 -10.059 -0.473 1.00 60.30 H new ATOM 0 HB2 MET A 486 -4.465 -8.037 -1.647 1.00 44.24 H new ATOM 0 HB3 MET A 486 -5.661 -9.007 -2.483 1.00 44.24 H new ATOM 0 HG2 MET A 486 -6.363 -9.684 -0.004 1.00 32.24 H new ATOM 0 HG3 MET A 486 -5.565 -8.177 0.400 1.00 32.24 H new ATOM 0 HE1 MET A 486 -7.947 -5.472 -0.563 1.00 23.44 H new ATOM 0 HE2 MET A 486 -6.965 -6.169 0.747 1.00 23.44 H new ATOM 0 HE3 MET A 486 -6.222 -5.816 -0.831 1.00 23.44 H new ATOM 92 N GLN A 487 -4.987 -12.093 -0.156 1.00 4.33 N ATOM 93 CA GLN A 487 -5.761 -13.308 0.065 1.00 71.33 C ATOM 94 C GLN A 487 -6.061 -13.501 1.548 1.00 61.35 C ATOM 95 O GLN A 487 -5.595 -12.734 2.391 1.00 22.20 O ATOM 96 CB GLN A 487 -5.007 -14.524 -0.478 1.00 15.21 C ATOM 97 CG GLN A 487 -4.813 -14.496 -1.985 1.00 72.13 C ATOM 98 CD GLN A 487 -3.548 -13.769 -2.397 1.00 73.14 C ATOM 99 OE1 GLN A 487 -3.580 -12.875 -3.244 1.00 20.05 O ATOM 100 NE2 GLN A 487 -2.425 -14.150 -1.800 1.00 11.41 N ATOM 0 H GLN A 487 -4.387 -11.827 0.625 1.00 4.33 H new ATOM 0 HA GLN A 487 -6.707 -13.208 -0.468 1.00 71.33 H new ATOM 0 HB2 GLN A 487 -4.031 -14.581 0.005 1.00 15.21 H new ATOM 0 HB3 GLN A 487 -5.551 -15.429 -0.207 1.00 15.21 H new ATOM 0 HG2 GLN A 487 -4.779 -15.518 -2.362 1.00 72.13 H new ATOM 0 HG3 GLN A 487 -5.673 -14.013 -2.449 1.00 72.13 H new ATOM 0 HE21 GLN A 487 -2.445 -14.895 -1.104 1.00 11.41 H new ATOM 0 HE22 GLN A 487 -1.542 -13.697 -2.037 1.00 11.41 H new ATOM 109 N LEU A 488 -6.842 -14.530 1.859 1.00 3.00 N ATOM 110 CA LEU A 488 -7.204 -14.824 3.241 1.00 35.20 C ATOM 111 C LEU A 488 -6.491 -16.078 3.736 1.00 34.40 C ATOM 112 O LEU A 488 -6.796 -17.190 3.302 1.00 4.13 O ATOM 113 CB LEU A 488 -8.719 -15.002 3.365 1.00 63.33 C ATOM 114 CG LEU A 488 -9.282 -14.988 4.786 1.00 33.50 C ATOM 115 CD1 LEU A 488 -9.072 -13.627 5.430 1.00 33.03 C ATOM 116 CD2 LEU A 488 -10.759 -15.354 4.778 1.00 74.44 C ATOM 0 H LEU A 488 -7.236 -15.174 1.173 1.00 3.00 H new ATOM 0 HA LEU A 488 -6.891 -13.983 3.860 1.00 35.20 H new ATOM 0 HB2 LEU A 488 -9.206 -14.210 2.795 1.00 63.33 H new ATOM 0 HB3 LEU A 488 -8.993 -15.947 2.896 1.00 63.33 H new ATOM 0 HG LEU A 488 -8.747 -15.732 5.376 1.00 33.50 H new ATOM 0 HD11 LEU A 488 -9.479 -13.636 6.441 1.00 33.03 H new ATOM 0 HD12 LEU A 488 -8.006 -13.404 5.470 1.00 33.03 H new ATOM 0 HD13 LEU A 488 -9.580 -12.863 4.841 1.00 33.03 H new ATOM 0 HD21 LEU A 488 -11.143 -15.339 5.798 1.00 74.44 H new ATOM 0 HD22 LEU A 488 -11.309 -14.634 4.172 1.00 74.44 H new ATOM 0 HD23 LEU A 488 -10.884 -16.352 4.358 1.00 74.44 H new ATOM 128 N TYR A 489 -5.543 -15.893 4.647 1.00 12.45 N ATOM 129 CA TYR A 489 -4.787 -17.009 5.202 1.00 45.02 C ATOM 130 C TYR A 489 -5.159 -17.248 6.662 1.00 44.31 C ATOM 131 O TYR A 489 -4.963 -16.381 7.514 1.00 41.33 O ATOM 132 CB TYR A 489 -3.285 -16.743 5.083 1.00 22.34 C ATOM 133 CG TYR A 489 -2.920 -15.832 3.933 1.00 21.31 C ATOM 134 CD1 TYR A 489 -2.916 -14.452 4.089 1.00 1.52 C ATOM 135 CD2 TYR A 489 -2.580 -16.352 2.690 1.00 11.12 C ATOM 136 CE1 TYR A 489 -2.584 -13.615 3.041 1.00 22.10 C ATOM 137 CE2 TYR A 489 -2.245 -15.523 1.637 1.00 73.21 C ATOM 138 CZ TYR A 489 -2.249 -14.156 1.817 1.00 2.31 C ATOM 139 OH TYR A 489 -1.917 -13.327 0.770 1.00 53.21 O ATOM 0 H TYR A 489 -5.279 -14.980 5.017 1.00 12.45 H new ATOM 0 HA TYR A 489 -5.038 -17.904 4.632 1.00 45.02 H new ATOM 0 HB2 TYR A 489 -2.928 -16.301 6.013 1.00 22.34 H new ATOM 0 HB3 TYR A 489 -2.765 -17.693 4.962 1.00 22.34 H new ATOM 0 HD1 TYR A 489 -3.177 -14.026 5.046 1.00 1.52 H new ATOM 0 HD2 TYR A 489 -2.578 -17.422 2.545 1.00 11.12 H new ATOM 0 HE1 TYR A 489 -2.587 -12.544 3.179 1.00 22.10 H new ATOM 0 HE2 TYR A 489 -1.981 -15.943 0.678 1.00 73.21 H new ATOM 0 HH TYR A 489 -1.074 -13.627 0.370 1.00 53.21 H new ATOM 149 N ARG A 490 -5.696 -18.430 6.943 1.00 23.40 N ATOM 150 CA ARG A 490 -6.096 -18.785 8.299 1.00 12.33 C ATOM 151 C ARG A 490 -5.084 -19.733 8.935 1.00 70.52 C ATOM 152 O ARG A 490 -4.686 -20.729 8.328 1.00 2.54 O ATOM 153 CB ARG A 490 -7.483 -19.431 8.292 1.00 24.31 C ATOM 154 CG ARG A 490 -7.525 -20.774 7.581 1.00 42.23 C ATOM 155 CD ARG A 490 -7.550 -21.928 8.570 1.00 24.13 C ATOM 156 NE ARG A 490 -6.986 -23.149 8.001 1.00 21.20 N ATOM 157 CZ ARG A 490 -7.663 -23.970 7.205 1.00 2.33 C ATOM 158 NH1 ARG A 490 -8.921 -23.701 6.886 1.00 12.32 N ATOM 159 NH2 ARG A 490 -7.081 -25.062 6.727 1.00 44.23 N ATOM 0 H ARG A 490 -5.864 -19.159 6.249 1.00 23.40 H new ATOM 0 HA ARG A 490 -6.132 -17.870 8.891 1.00 12.33 H new ATOM 0 HB2 ARG A 490 -7.818 -19.563 9.321 1.00 24.31 H new ATOM 0 HB3 ARG A 490 -8.188 -18.753 7.812 1.00 24.31 H new ATOM 0 HG2 ARG A 490 -8.407 -20.821 6.943 1.00 42.23 H new ATOM 0 HG3 ARG A 490 -6.656 -20.870 6.931 1.00 42.23 H new ATOM 0 HD2 ARG A 490 -6.990 -21.652 9.463 1.00 24.13 H new ATOM 0 HD3 ARG A 490 -8.577 -22.115 8.883 1.00 24.13 H new ATOM 0 HE ARG A 490 -6.020 -23.385 8.227 1.00 21.20 H new ATOM 0 HH11 ARG A 490 -9.372 -22.862 7.252 1.00 12.32 H new ATOM 0 HH12 ARG A 490 -9.438 -24.333 6.275 1.00 12.32 H new ATOM 0 HH21 ARG A 490 -6.113 -25.272 6.970 1.00 44.23 H new ATOM 0 HH22 ARG A 490 -7.601 -25.692 6.116 1.00 44.23 H new ATOM 173 N ILE A 491 -4.672 -19.418 10.158 1.00 51.00 N ATOM 174 CA ILE A 491 -3.707 -20.242 10.875 1.00 73.41 C ATOM 175 C ILE A 491 -4.401 -21.140 11.894 1.00 11.21 C ATOM 176 O ILE A 491 -5.581 -20.960 12.192 1.00 53.22 O ATOM 177 CB ILE A 491 -2.657 -19.379 11.599 1.00 60.34 C ATOM 178 CG1 ILE A 491 -3.305 -18.608 12.750 1.00 2.32 C ATOM 179 CG2 ILE A 491 -1.993 -18.422 10.620 1.00 23.22 C ATOM 180 CD1 ILE A 491 -2.332 -17.743 13.521 1.00 51.55 C ATOM 0 H ILE A 491 -4.991 -18.598 10.673 1.00 51.00 H new ATOM 0 HA ILE A 491 -3.206 -20.861 10.131 1.00 73.41 H new ATOM 0 HB ILE A 491 -1.891 -20.035 12.012 1.00 60.34 H new ATOM 0 HG12 ILE A 491 -4.102 -17.979 12.352 1.00 2.32 H new ATOM 0 HG13 ILE A 491 -3.770 -19.317 13.435 1.00 2.32 H new ATOM 0 HG21 ILE A 491 -1.253 -17.819 11.146 1.00 23.22 H new ATOM 0 HG22 ILE A 491 -1.502 -18.991 9.831 1.00 23.22 H new ATOM 0 HG23 ILE A 491 -2.747 -17.769 10.181 1.00 23.22 H new ATOM 0 HD11 ILE A 491 -2.861 -17.226 14.322 1.00 51.55 H new ATOM 0 HD12 ILE A 491 -1.549 -18.369 13.948 1.00 51.55 H new ATOM 0 HD13 ILE A 491 -1.885 -17.010 12.849 1.00 51.55 H new ATOM 192 N GLU A 492 -3.659 -22.106 12.427 1.00 44.54 N ATOM 193 CA GLU A 492 -4.203 -23.030 13.414 1.00 70.42 C ATOM 194 C GLU A 492 -3.845 -22.588 14.830 1.00 43.14 C ATOM 195 O GLU A 492 -3.318 -23.369 15.622 1.00 63.34 O ATOM 196 CB GLU A 492 -3.679 -24.446 13.162 1.00 15.02 C ATOM 197 CG GLU A 492 -4.402 -25.514 13.966 1.00 51.01 C ATOM 198 CD GLU A 492 -5.532 -26.163 13.190 1.00 21.13 C ATOM 199 OE1 GLU A 492 -6.094 -27.163 13.684 1.00 1.34 O ATOM 200 OE2 GLU A 492 -5.854 -25.671 12.089 1.00 40.43 O ATOM 0 H GLU A 492 -2.680 -22.268 12.192 1.00 44.54 H new ATOM 0 HA GLU A 492 -5.289 -23.028 13.316 1.00 70.42 H new ATOM 0 HB2 GLU A 492 -3.773 -24.676 12.101 1.00 15.02 H new ATOM 0 HB3 GLU A 492 -2.616 -24.479 13.402 1.00 15.02 H new ATOM 0 HG2 GLU A 492 -3.688 -26.280 14.270 1.00 51.01 H new ATOM 0 HG3 GLU A 492 -4.801 -25.069 14.878 1.00 51.01 H new ATOM 207 N VAL A 493 -4.134 -21.328 15.141 1.00 73.42 N ATOM 208 CA VAL A 493 -3.844 -20.781 16.460 1.00 3.24 C ATOM 209 C VAL A 493 -4.939 -19.821 16.911 1.00 74.14 C ATOM 210 O VAL A 493 -5.470 -19.050 16.113 1.00 42.55 O ATOM 211 CB VAL A 493 -2.492 -20.043 16.477 1.00 62.12 C ATOM 212 CG1 VAL A 493 -2.037 -19.792 17.907 1.00 74.25 C ATOM 213 CG2 VAL A 493 -1.445 -20.834 15.707 1.00 44.41 C ATOM 0 H VAL A 493 -4.569 -20.667 14.497 1.00 73.42 H new ATOM 0 HA VAL A 493 -3.798 -21.625 17.148 1.00 3.24 H new ATOM 0 HB VAL A 493 -2.619 -19.077 15.988 1.00 62.12 H new ATOM 0 HG11 VAL A 493 -1.080 -19.270 17.898 1.00 74.25 H new ATOM 0 HG12 VAL A 493 -2.778 -19.182 18.423 1.00 74.25 H new ATOM 0 HG13 VAL A 493 -1.926 -20.744 18.426 1.00 74.25 H new ATOM 0 HG21 VAL A 493 -0.496 -20.299 15.729 1.00 44.41 H new ATOM 0 HG22 VAL A 493 -1.319 -21.814 16.166 1.00 44.41 H new ATOM 0 HG23 VAL A 493 -1.769 -20.956 14.673 1.00 44.41 H new ATOM 223 N GLY A 494 -5.274 -19.874 18.196 1.00 21.44 N ATOM 224 CA GLY A 494 -6.305 -19.004 18.731 1.00 21.33 C ATOM 225 C GLY A 494 -6.083 -18.673 20.194 1.00 63.13 C ATOM 226 O GLY A 494 -5.027 -18.972 20.751 1.00 23.43 O ATOM 0 H GLY A 494 -4.850 -20.504 18.877 1.00 21.44 H new ATOM 0 HA2 GLY A 494 -6.333 -18.080 18.153 1.00 21.33 H new ATOM 0 HA3 GLY A 494 -7.277 -19.483 18.613 1.00 21.33 H new ATOM 230 N ARG A 495 -7.079 -18.052 20.816 1.00 12.12 N ATOM 231 CA ARG A 495 -6.986 -17.677 22.222 1.00 52.00 C ATOM 232 C ARG A 495 -6.676 -18.893 23.090 1.00 65.14 C ATOM 233 O ARG A 495 -5.987 -18.784 24.105 1.00 75.42 O ATOM 234 CB ARG A 495 -8.291 -17.026 22.686 1.00 62.34 C ATOM 235 CG ARG A 495 -9.527 -17.856 22.381 1.00 31.55 C ATOM 236 CD ARG A 495 -10.770 -17.262 23.026 1.00 43.25 C ATOM 237 NE ARG A 495 -10.726 -17.348 24.483 1.00 64.23 N ATOM 238 CZ ARG A 495 -11.797 -17.230 25.259 1.00 52.53 C ATOM 239 NH1 ARG A 495 -12.990 -17.021 24.720 1.00 54.04 N ATOM 240 NH2 ARG A 495 -11.676 -17.320 26.577 1.00 15.10 N ATOM 0 H ARG A 495 -7.960 -17.798 20.369 1.00 12.12 H new ATOM 0 HA ARG A 495 -6.172 -16.960 22.327 1.00 52.00 H new ATOM 0 HB2 ARG A 495 -8.238 -16.850 23.760 1.00 62.34 H new ATOM 0 HB3 ARG A 495 -8.391 -16.051 22.208 1.00 62.34 H new ATOM 0 HG2 ARG A 495 -9.669 -17.916 21.302 1.00 31.55 H new ATOM 0 HG3 ARG A 495 -9.381 -18.875 22.741 1.00 31.55 H new ATOM 0 HD2 ARG A 495 -10.870 -16.218 22.728 1.00 43.25 H new ATOM 0 HD3 ARG A 495 -11.653 -17.784 22.659 1.00 43.25 H new ATOM 0 HE ARG A 495 -9.823 -17.508 24.929 1.00 64.23 H new ATOM 0 HH11 ARG A 495 -13.087 -16.951 23.707 1.00 54.04 H new ATOM 0 HH12 ARG A 495 -13.811 -16.931 25.318 1.00 54.04 H new ATOM 0 HH21 ARG A 495 -10.760 -17.480 26.995 1.00 15.10 H new ATOM 0 HH22 ARG A 495 -12.499 -17.229 27.172 1.00 15.10 H new ATOM 254 N ASP A 496 -7.187 -20.050 22.683 1.00 15.52 N ATOM 255 CA ASP A 496 -6.965 -21.286 23.423 1.00 65.53 C ATOM 256 C ASP A 496 -5.534 -21.782 23.234 1.00 11.13 C ATOM 257 O ASP A 496 -5.037 -22.588 24.021 1.00 0.33 O ATOM 258 CB ASP A 496 -7.954 -22.362 22.970 1.00 3.31 C ATOM 259 CG ASP A 496 -8.178 -23.424 24.028 1.00 62.30 C ATOM 260 OD1 ASP A 496 -7.491 -23.378 25.071 1.00 75.25 O ATOM 261 OD2 ASP A 496 -9.040 -24.301 23.814 1.00 72.53 O ATOM 0 H ASP A 496 -7.758 -20.157 21.844 1.00 15.52 H new ATOM 0 HA ASP A 496 -7.124 -21.080 24.482 1.00 65.53 H new ATOM 0 HB2 ASP A 496 -8.907 -21.894 22.721 1.00 3.31 H new ATOM 0 HB3 ASP A 496 -7.583 -22.833 22.060 1.00 3.31 H new ATOM 266 N ASP A 497 -4.878 -21.296 22.186 1.00 14.23 N ATOM 267 CA ASP A 497 -3.505 -21.689 21.894 1.00 22.01 C ATOM 268 C ASP A 497 -2.515 -20.703 22.506 1.00 13.51 C ATOM 269 O ASP A 497 -1.473 -21.096 23.027 1.00 23.13 O ATOM 270 CB ASP A 497 -3.288 -21.777 20.383 1.00 65.13 C ATOM 271 CG ASP A 497 -2.006 -22.503 20.023 1.00 1.23 C ATOM 272 OD1 ASP A 497 -1.076 -22.512 20.856 1.00 10.35 O ATOM 273 OD2 ASP A 497 -1.933 -23.061 18.908 1.00 25.35 O ATOM 0 H ASP A 497 -5.275 -20.629 21.524 1.00 14.23 H new ATOM 0 HA ASP A 497 -3.332 -22.670 22.336 1.00 22.01 H new ATOM 0 HB2 ASP A 497 -4.134 -22.291 19.927 1.00 65.13 H new ATOM 0 HB3 ASP A 497 -3.263 -20.771 19.963 1.00 65.13 H new ATOM 278 N GLY A 498 -2.849 -19.417 22.438 1.00 74.31 N ATOM 279 CA GLY A 498 -1.979 -18.394 22.988 1.00 73.40 C ATOM 280 C GLY A 498 -1.777 -17.232 22.036 1.00 14.13 C ATOM 281 O GLY A 498 -0.699 -16.641 21.987 1.00 44.05 O ATOM 0 H GLY A 498 -3.707 -19.066 22.012 1.00 74.31 H new ATOM 0 HA2 GLY A 498 -2.402 -18.025 23.922 1.00 73.40 H new ATOM 0 HA3 GLY A 498 -1.012 -18.835 23.229 1.00 73.40 H new ATOM 285 N VAL A 499 -2.818 -16.903 21.277 1.00 63.21 N ATOM 286 CA VAL A 499 -2.750 -15.804 20.321 1.00 23.13 C ATOM 287 C VAL A 499 -4.001 -14.936 20.392 1.00 1.02 C ATOM 288 O VAL A 499 -5.086 -15.419 20.714 1.00 24.43 O ATOM 289 CB VAL A 499 -2.579 -16.322 18.881 1.00 63.40 C ATOM 290 CG1 VAL A 499 -3.905 -16.828 18.334 1.00 11.41 C ATOM 291 CG2 VAL A 499 -2.005 -15.233 17.988 1.00 44.12 C ATOM 0 H VAL A 499 -3.718 -17.382 21.306 1.00 63.21 H new ATOM 0 HA VAL A 499 -1.880 -15.205 20.589 1.00 23.13 H new ATOM 0 HB VAL A 499 -1.877 -17.156 18.895 1.00 63.40 H new ATOM 0 HG11 VAL A 499 -3.764 -17.190 17.316 1.00 11.41 H new ATOM 0 HG12 VAL A 499 -4.271 -17.641 18.961 1.00 11.41 H new ATOM 0 HG13 VAL A 499 -4.632 -16.016 18.333 1.00 11.41 H new ATOM 0 HG21 VAL A 499 -1.891 -15.616 16.974 1.00 44.12 H new ATOM 0 HG22 VAL A 499 -2.680 -14.377 17.978 1.00 44.12 H new ATOM 0 HG23 VAL A 499 -1.032 -14.924 18.371 1.00 44.12 H new ATOM 301 N GLU A 500 -3.841 -13.652 20.089 1.00 55.44 N ATOM 302 CA GLU A 500 -4.959 -12.716 20.119 1.00 54.25 C ATOM 303 C GLU A 500 -5.074 -11.962 18.796 1.00 22.54 C ATOM 304 O GLU A 500 -4.364 -12.261 17.836 1.00 51.44 O ATOM 305 CB GLU A 500 -4.792 -11.723 21.271 1.00 62.21 C ATOM 306 CG GLU A 500 -4.296 -12.362 22.557 1.00 33.03 C ATOM 307 CD GLU A 500 -4.884 -11.713 23.795 1.00 11.32 C ATOM 308 OE1 GLU A 500 -4.782 -10.474 23.920 1.00 71.22 O ATOM 309 OE2 GLU A 500 -5.445 -12.442 24.639 1.00 73.31 O ATOM 0 H GLU A 500 -2.949 -13.236 19.820 1.00 55.44 H new ATOM 0 HA GLU A 500 -5.874 -13.289 20.272 1.00 54.25 H new ATOM 0 HB2 GLU A 500 -4.093 -10.943 20.969 1.00 62.21 H new ATOM 0 HB3 GLU A 500 -5.749 -11.237 21.462 1.00 62.21 H new ATOM 0 HG2 GLU A 500 -4.548 -13.422 22.552 1.00 33.03 H new ATOM 0 HG3 GLU A 500 -3.209 -12.293 22.597 1.00 33.03 H new ATOM 316 N VAL A 501 -5.973 -10.985 18.755 1.00 12.52 N ATOM 317 CA VAL A 501 -6.181 -10.188 17.552 1.00 14.52 C ATOM 318 C VAL A 501 -5.067 -9.163 17.372 1.00 64.32 C ATOM 319 O VAL A 501 -4.696 -8.826 16.247 1.00 2.15 O ATOM 320 CB VAL A 501 -7.535 -9.455 17.592 1.00 55.42 C ATOM 321 CG1 VAL A 501 -7.702 -8.573 16.363 1.00 21.24 C ATOM 322 CG2 VAL A 501 -8.678 -10.453 17.701 1.00 52.13 C ATOM 0 H VAL A 501 -6.569 -10.726 19.541 1.00 12.52 H new ATOM 0 HA VAL A 501 -6.174 -10.880 16.709 1.00 14.52 H new ATOM 0 HB VAL A 501 -7.556 -8.815 18.474 1.00 55.42 H new ATOM 0 HG11 VAL A 501 -8.664 -8.063 16.409 1.00 21.24 H new ATOM 0 HG12 VAL A 501 -6.901 -7.834 16.334 1.00 21.24 H new ATOM 0 HG13 VAL A 501 -7.660 -9.189 15.465 1.00 21.24 H new ATOM 0 HG21 VAL A 501 -9.627 -9.918 17.728 1.00 52.13 H new ATOM 0 HG22 VAL A 501 -8.662 -11.120 16.839 1.00 52.13 H new ATOM 0 HG23 VAL A 501 -8.565 -11.037 18.614 1.00 52.13 H new ATOM 332 N ARG A 502 -4.536 -8.672 18.487 1.00 64.42 N ATOM 333 CA ARG A 502 -3.463 -7.686 18.452 1.00 0.41 C ATOM 334 C ARG A 502 -2.099 -8.367 18.403 1.00 24.10 C ATOM 335 O ARG A 502 -1.064 -7.704 18.334 1.00 5.52 O ATOM 336 CB ARG A 502 -3.544 -6.770 19.675 1.00 42.11 C ATOM 337 CG ARG A 502 -3.541 -7.519 20.998 1.00 55.43 C ATOM 338 CD ARG A 502 -3.220 -6.593 22.161 1.00 70.31 C ATOM 339 NE ARG A 502 -4.361 -5.759 22.528 1.00 10.01 N ATOM 340 CZ ARG A 502 -4.394 -4.996 23.615 1.00 41.32 C ATOM 341 NH1 ARG A 502 -3.354 -4.961 24.436 1.00 21.34 N ATOM 342 NH2 ARG A 502 -5.469 -4.264 23.881 1.00 25.31 N ATOM 0 H ARG A 502 -4.831 -8.941 19.426 1.00 64.42 H new ATOM 0 HA ARG A 502 -3.583 -7.088 17.549 1.00 0.41 H new ATOM 0 HB2 ARG A 502 -2.702 -6.078 19.657 1.00 42.11 H new ATOM 0 HB3 ARG A 502 -4.451 -6.169 19.609 1.00 42.11 H new ATOM 0 HG2 ARG A 502 -4.515 -7.982 21.158 1.00 55.43 H new ATOM 0 HG3 ARG A 502 -2.808 -8.325 20.960 1.00 55.43 H new ATOM 0 HD2 ARG A 502 -2.913 -7.186 23.022 1.00 70.31 H new ATOM 0 HD3 ARG A 502 -2.376 -5.956 21.895 1.00 70.31 H new ATOM 0 HE ARG A 502 -5.177 -5.762 21.916 1.00 10.01 H new ATOM 0 HH11 ARG A 502 -2.526 -5.521 24.234 1.00 21.34 H new ATOM 0 HH12 ARG A 502 -3.382 -4.374 25.270 1.00 21.34 H new ATOM 0 HH21 ARG A 502 -6.271 -4.287 23.251 1.00 25.31 H new ATOM 0 HH22 ARG A 502 -5.493 -3.678 24.716 1.00 25.31 H new ATOM 356 N HIS A 503 -2.105 -9.696 18.439 1.00 1.14 N ATOM 357 CA HIS A 503 -0.868 -10.468 18.399 1.00 41.40 C ATOM 358 C HIS A 503 -0.397 -10.664 16.961 1.00 20.31 C ATOM 359 O HIS A 503 0.721 -10.288 16.607 1.00 31.22 O ATOM 360 CB HIS A 503 -1.067 -11.825 19.073 1.00 22.50 C ATOM 361 CG HIS A 503 0.171 -12.355 19.729 1.00 32.53 C ATOM 362 ND1 HIS A 503 0.144 -13.288 20.745 1.00 52.30 N ATOM 363 CD2 HIS A 503 1.477 -12.080 19.508 1.00 24.01 C ATOM 364 CE1 HIS A 503 1.380 -13.561 21.121 1.00 21.34 C ATOM 365 NE2 HIS A 503 2.209 -12.842 20.386 1.00 55.10 N ATOM 0 H HIS A 503 -2.953 -10.261 18.496 1.00 1.14 H new ATOM 0 HA HIS A 503 -0.103 -9.911 18.940 1.00 41.40 H new ATOM 0 HB2 HIS A 503 -1.856 -11.738 19.820 1.00 22.50 H new ATOM 0 HB3 HIS A 503 -1.411 -12.544 18.329 1.00 22.50 H new ATOM 0 HD2 HIS A 503 1.871 -11.390 18.777 1.00 24.01 H new ATOM 0 HE1 HIS A 503 1.665 -14.255 21.898 1.00 21.34 H new ATOM 0 HE2 HIS A 503 3.226 -12.851 20.458 1.00 55.10 H new ATOM 373 N ILE A 504 -1.256 -11.256 16.138 1.00 30.01 N ATOM 374 CA ILE A 504 -0.927 -11.502 14.739 1.00 14.15 C ATOM 375 C ILE A 504 -0.896 -10.201 13.945 1.00 14.41 C ATOM 376 O ILE A 504 -0.217 -10.100 12.923 1.00 32.52 O ATOM 377 CB ILE A 504 -1.935 -12.466 14.085 1.00 11.44 C ATOM 378 CG1 ILE A 504 -3.231 -11.728 13.743 1.00 12.13 C ATOM 379 CG2 ILE A 504 -2.217 -13.643 15.007 1.00 42.10 C ATOM 380 CD1 ILE A 504 -4.051 -11.352 14.958 1.00 73.35 C ATOM 0 H ILE A 504 -2.185 -11.574 16.415 1.00 30.01 H new ATOM 0 HA ILE A 504 0.063 -11.958 14.723 1.00 14.15 H new ATOM 0 HB ILE A 504 -1.502 -12.849 13.161 1.00 11.44 H new ATOM 0 HG12 ILE A 504 -2.988 -10.824 13.185 1.00 12.13 H new ATOM 0 HG13 ILE A 504 -3.835 -12.355 13.087 1.00 12.13 H new ATOM 0 HG21 ILE A 504 -2.931 -14.315 14.531 1.00 42.10 H new ATOM 0 HG22 ILE A 504 -1.290 -14.180 15.205 1.00 42.10 H new ATOM 0 HG23 ILE A 504 -2.633 -13.278 15.946 1.00 42.10 H new ATOM 0 HD11 ILE A 504 -4.955 -10.832 14.640 1.00 73.35 H new ATOM 0 HD12 ILE A 504 -4.325 -12.254 15.506 1.00 73.35 H new ATOM 0 HD13 ILE A 504 -3.465 -10.699 15.604 1.00 73.35 H new ATOM 392 N VAL A 505 -1.635 -9.204 14.423 1.00 73.33 N ATOM 393 CA VAL A 505 -1.691 -7.907 13.759 1.00 24.22 C ATOM 394 C VAL A 505 -0.466 -7.065 14.097 1.00 44.34 C ATOM 395 O VAL A 505 0.280 -6.651 13.210 1.00 60.33 O ATOM 396 CB VAL A 505 -2.960 -7.129 14.153 1.00 2.33 C ATOM 397 CG1 VAL A 505 -2.887 -5.696 13.647 1.00 61.44 C ATOM 398 CG2 VAL A 505 -4.201 -7.829 13.620 1.00 3.14 C ATOM 0 H VAL A 505 -2.203 -9.270 15.268 1.00 73.33 H new ATOM 0 HA VAL A 505 -1.712 -8.100 12.686 1.00 24.22 H new ATOM 0 HB VAL A 505 -3.025 -7.102 15.241 1.00 2.33 H new ATOM 0 HG11 VAL A 505 -3.792 -5.162 13.935 1.00 61.44 H new ATOM 0 HG12 VAL A 505 -2.019 -5.200 14.082 1.00 61.44 H new ATOM 0 HG13 VAL A 505 -2.797 -5.698 12.561 1.00 61.44 H new ATOM 0 HG21 VAL A 505 -5.089 -7.265 13.908 1.00 3.14 H new ATOM 0 HG22 VAL A 505 -4.146 -7.889 12.533 1.00 3.14 H new ATOM 0 HG23 VAL A 505 -4.259 -8.835 14.037 1.00 3.14 H new ATOM 408 N GLY A 506 -0.264 -6.814 15.387 1.00 45.23 N ATOM 409 CA GLY A 506 0.873 -6.022 15.819 1.00 10.22 C ATOM 410 C GLY A 506 2.197 -6.631 15.402 1.00 32.33 C ATOM 411 O GLY A 506 3.214 -5.941 15.342 1.00 31.32 O ATOM 0 H GLY A 506 -0.867 -7.145 16.140 1.00 45.23 H new ATOM 0 HA2 GLY A 506 0.791 -5.018 15.403 1.00 10.22 H new ATOM 0 HA3 GLY A 506 0.849 -5.920 16.904 1.00 10.22 H new ATOM 415 N ALA A 507 2.185 -7.929 15.115 1.00 13.11 N ATOM 416 CA ALA A 507 3.393 -8.631 14.702 1.00 62.04 C ATOM 417 C ALA A 507 3.774 -8.272 13.269 1.00 1.44 C ATOM 418 O ALA A 507 4.860 -7.749 13.019 1.00 44.41 O ATOM 419 CB ALA A 507 3.203 -10.134 14.838 1.00 72.43 C ATOM 0 H ALA A 507 1.351 -8.515 15.161 1.00 13.11 H new ATOM 0 HA ALA A 507 4.207 -8.318 15.356 1.00 62.04 H new ATOM 0 HB1 ALA A 507 4.114 -10.646 14.526 1.00 72.43 H new ATOM 0 HB2 ALA A 507 2.986 -10.381 15.877 1.00 72.43 H new ATOM 0 HB3 ALA A 507 2.373 -10.454 14.208 1.00 72.43 H new ATOM 425 N ILE A 508 2.874 -8.556 12.334 1.00 45.02 N ATOM 426 CA ILE A 508 3.117 -8.262 10.927 1.00 42.00 C ATOM 427 C ILE A 508 3.099 -6.759 10.668 1.00 24.24 C ATOM 428 O ILE A 508 3.784 -6.265 9.774 1.00 44.04 O ATOM 429 CB ILE A 508 2.072 -8.940 10.022 1.00 54.33 C ATOM 430 CG1 ILE A 508 0.671 -8.414 10.342 1.00 73.50 C ATOM 431 CG2 ILE A 508 2.127 -10.451 10.188 1.00 44.14 C ATOM 432 CD1 ILE A 508 0.244 -7.258 9.465 1.00 74.52 C ATOM 0 H ILE A 508 1.970 -8.989 12.525 1.00 45.02 H new ATOM 0 HA ILE A 508 4.104 -8.657 10.688 1.00 42.00 H new ATOM 0 HB ILE A 508 2.302 -8.700 8.984 1.00 54.33 H new ATOM 0 HG12 ILE A 508 -0.047 -9.227 10.233 1.00 73.50 H new ATOM 0 HG13 ILE A 508 0.640 -8.099 11.385 1.00 73.50 H new ATOM 0 HG21 ILE A 508 1.382 -10.915 9.542 1.00 44.14 H new ATOM 0 HG22 ILE A 508 3.119 -10.811 9.916 1.00 44.14 H new ATOM 0 HG23 ILE A 508 1.919 -10.711 11.226 1.00 44.14 H new ATOM 0 HD11 ILE A 508 -0.758 -6.937 9.748 1.00 74.52 H new ATOM 0 HD12 ILE A 508 0.940 -6.429 9.592 1.00 74.52 H new ATOM 0 HD13 ILE A 508 0.243 -7.574 8.422 1.00 74.52 H new ATOM 444 N ALA A 509 2.312 -6.038 11.460 1.00 43.55 N ATOM 445 CA ALA A 509 2.208 -4.590 11.319 1.00 21.51 C ATOM 446 C ALA A 509 3.476 -3.899 11.808 1.00 43.25 C ATOM 447 O ALA A 509 3.787 -2.785 11.389 1.00 45.24 O ATOM 448 CB ALA A 509 0.996 -4.072 12.079 1.00 70.41 C ATOM 0 H ALA A 509 1.738 -6.432 12.205 1.00 43.55 H new ATOM 0 HA ALA A 509 2.085 -4.360 10.261 1.00 21.51 H new ATOM 0 HB1 ALA A 509 0.930 -2.990 11.965 1.00 70.41 H new ATOM 0 HB2 ALA A 509 0.092 -4.534 11.681 1.00 70.41 H new ATOM 0 HB3 ALA A 509 1.096 -4.320 13.136 1.00 70.41 H new ATOM 454 N ASN A 510 4.204 -4.567 12.696 1.00 3.25 N ATOM 455 CA ASN A 510 5.439 -4.015 13.243 1.00 33.00 C ATOM 456 C ASN A 510 6.655 -4.573 12.511 1.00 42.15 C ATOM 457 O ASN A 510 7.711 -3.942 12.471 1.00 30.24 O ATOM 458 CB ASN A 510 5.543 -4.325 14.738 1.00 73.44 C ATOM 459 CG ASN A 510 6.645 -3.535 15.417 1.00 73.41 C ATOM 460 OD1 ASN A 510 7.529 -4.106 16.056 1.00 41.41 O ATOM 461 ND2 ASN A 510 6.596 -2.215 15.281 1.00 32.34 N ATOM 0 H ASN A 510 3.961 -5.491 13.053 1.00 3.25 H new ATOM 0 HA ASN A 510 5.417 -2.934 13.104 1.00 33.00 H new ATOM 0 HB2 ASN A 510 4.591 -4.103 15.219 1.00 73.44 H new ATOM 0 HB3 ASN A 510 5.727 -5.391 14.873 1.00 73.44 H new ATOM 0 HD21 ASN A 510 7.310 -1.631 15.716 1.00 32.34 H new ATOM 0 HD22 ASN A 510 5.844 -1.785 14.742 1.00 32.34 H new ATOM 468 N GLU A 511 6.498 -5.759 11.931 1.00 32.11 N ATOM 469 CA GLU A 511 7.584 -6.401 11.200 1.00 33.51 C ATOM 470 C GLU A 511 7.907 -5.634 9.921 1.00 22.32 C ATOM 471 O GLU A 511 9.073 -5.451 9.572 1.00 15.14 O ATOM 472 CB GLU A 511 7.215 -7.847 10.861 1.00 33.21 C ATOM 473 CG GLU A 511 7.516 -8.831 11.980 1.00 41.44 C ATOM 474 CD GLU A 511 9.002 -8.972 12.248 1.00 51.24 C ATOM 475 OE1 GLU A 511 9.649 -9.800 11.574 1.00 65.24 O ATOM 476 OE2 GLU A 511 9.517 -8.255 13.131 1.00 52.12 O ATOM 0 H GLU A 511 5.630 -6.294 11.953 1.00 32.11 H new ATOM 0 HA GLU A 511 8.468 -6.399 11.838 1.00 33.51 H new ATOM 0 HB2 GLU A 511 6.153 -7.895 10.622 1.00 33.21 H new ATOM 0 HB3 GLU A 511 7.757 -8.151 9.966 1.00 33.21 H new ATOM 0 HG2 GLU A 511 7.016 -8.503 12.891 1.00 41.44 H new ATOM 0 HG3 GLU A 511 7.103 -9.806 11.722 1.00 41.44 H new ATOM 483 N GLY A 512 6.865 -5.189 9.226 1.00 42.33 N ATOM 484 CA GLY A 512 7.058 -4.447 7.993 1.00 25.41 C ATOM 485 C GLY A 512 6.404 -3.081 8.030 1.00 42.42 C ATOM 486 O GLY A 512 6.336 -2.446 9.082 1.00 12.34 O ATOM 0 H GLY A 512 5.891 -5.329 9.494 1.00 42.33 H new ATOM 0 HA2 GLY A 512 8.126 -4.330 7.806 1.00 25.41 H new ATOM 0 HA3 GLY A 512 6.649 -5.020 7.160 1.00 25.41 H new ATOM 490 N ASP A 513 5.924 -2.626 6.878 1.00 15.51 N ATOM 491 CA ASP A 513 5.272 -1.324 6.782 1.00 31.43 C ATOM 492 C ASP A 513 3.772 -1.448 7.034 1.00 43.13 C ATOM 493 O ASP A 513 3.085 -0.449 7.250 1.00 22.20 O ATOM 494 CB ASP A 513 5.522 -0.705 5.406 1.00 34.32 C ATOM 495 CG ASP A 513 6.766 0.160 5.378 1.00 62.12 C ATOM 496 OD1 ASP A 513 6.986 0.849 4.360 1.00 65.51 O ATOM 497 OD2 ASP A 513 7.521 0.148 6.373 1.00 35.33 O ATOM 0 H ASP A 513 5.974 -3.139 5.998 1.00 15.51 H new ATOM 0 HA ASP A 513 5.698 -0.674 7.546 1.00 31.43 H new ATOM 0 HB2 ASP A 513 5.618 -1.499 4.666 1.00 34.32 H new ATOM 0 HB3 ASP A 513 4.659 -0.105 5.119 1.00 34.32 H new ATOM 502 N ILE A 514 3.272 -2.678 7.003 1.00 73.34 N ATOM 503 CA ILE A 514 1.854 -2.932 7.227 1.00 10.51 C ATOM 504 C ILE A 514 1.371 -2.258 8.507 1.00 41.40 C ATOM 505 O ILE A 514 2.094 -2.200 9.501 1.00 22.45 O ATOM 506 CB ILE A 514 1.558 -4.441 7.312 1.00 41.42 C ATOM 507 CG1 ILE A 514 1.996 -5.141 6.024 1.00 22.42 C ATOM 508 CG2 ILE A 514 0.078 -4.676 7.572 1.00 31.34 C ATOM 509 CD1 ILE A 514 2.254 -6.622 6.200 1.00 43.55 C ATOM 0 H ILE A 514 3.827 -3.515 6.825 1.00 73.34 H new ATOM 0 HA ILE A 514 1.320 -2.513 6.374 1.00 10.51 H new ATOM 0 HB ILE A 514 2.124 -4.862 8.143 1.00 41.42 H new ATOM 0 HG12 ILE A 514 1.227 -5.002 5.265 1.00 22.42 H new ATOM 0 HG13 ILE A 514 2.902 -4.664 5.651 1.00 22.42 H new ATOM 0 HG21 ILE A 514 -0.116 -5.747 7.629 1.00 31.34 H new ATOM 0 HG22 ILE A 514 -0.205 -4.205 8.513 1.00 31.34 H new ATOM 0 HG23 ILE A 514 -0.507 -4.245 6.760 1.00 31.34 H new ATOM 0 HD11 ILE A 514 2.561 -7.054 5.247 1.00 43.55 H new ATOM 0 HD12 ILE A 514 3.045 -6.769 6.936 1.00 43.55 H new ATOM 0 HD13 ILE A 514 1.343 -7.112 6.544 1.00 43.55 H new ATOM 521 N SER A 515 0.143 -1.750 8.475 1.00 41.21 N ATOM 522 CA SER A 515 -0.437 -1.078 9.632 1.00 44.31 C ATOM 523 C SER A 515 -1.672 -1.822 10.130 1.00 41.12 C ATOM 524 O SER A 515 -2.207 -2.690 9.440 1.00 14.52 O ATOM 525 CB SER A 515 -0.804 0.365 9.279 1.00 30.11 C ATOM 526 OG SER A 515 -0.655 1.218 10.401 1.00 72.11 O ATOM 0 H SER A 515 -0.469 -1.791 7.660 1.00 41.21 H new ATOM 0 HA SER A 515 0.307 -1.072 10.428 1.00 44.31 H new ATOM 0 HB2 SER A 515 -0.170 0.716 8.465 1.00 30.11 H new ATOM 0 HB3 SER A 515 -1.833 0.405 8.922 1.00 30.11 H new ATOM 0 HG SER A 515 -0.894 2.134 10.149 1.00 72.11 H new ATOM 532 N SER A 516 -2.119 -1.476 11.333 1.00 43.52 N ATOM 533 CA SER A 516 -3.288 -2.112 11.926 1.00 35.54 C ATOM 534 C SER A 516 -4.545 -1.801 11.119 1.00 61.33 C ATOM 535 O SER A 516 -5.514 -2.560 11.141 1.00 31.01 O ATOM 536 CB SER A 516 -3.470 -1.648 13.373 1.00 41.55 C ATOM 537 OG SER A 516 -4.178 -2.611 14.133 1.00 22.21 O ATOM 0 H SER A 516 -1.688 -0.758 11.916 1.00 43.52 H new ATOM 0 HA SER A 516 -3.128 -3.190 11.915 1.00 35.54 H new ATOM 0 HB2 SER A 516 -2.495 -1.468 13.826 1.00 41.55 H new ATOM 0 HB3 SER A 516 -4.008 -0.700 13.389 1.00 41.55 H new ATOM 0 HG SER A 516 -4.279 -2.291 15.054 1.00 22.21 H new ATOM 543 N ARG A 517 -4.520 -0.680 10.406 1.00 1.32 N ATOM 544 CA ARG A 517 -5.656 -0.266 9.592 1.00 35.31 C ATOM 545 C ARG A 517 -5.521 -0.788 8.165 1.00 51.05 C ATOM 546 O ARG A 517 -6.518 -1.066 7.497 1.00 3.02 O ATOM 547 CB ARG A 517 -5.775 1.259 9.580 1.00 25.11 C ATOM 548 CG ARG A 517 -4.495 1.966 9.164 1.00 23.54 C ATOM 549 CD ARG A 517 -4.761 3.405 8.753 1.00 15.02 C ATOM 550 NE ARG A 517 -5.569 4.116 9.741 1.00 72.32 N ATOM 551 CZ ARG A 517 -6.253 5.222 9.472 1.00 2.50 C ATOM 552 NH1 ARG A 517 -6.227 5.742 8.252 1.00 2.05 N ATOM 553 NH2 ARG A 517 -6.965 5.812 10.424 1.00 21.42 N ATOM 0 H ARG A 517 -3.725 -0.042 10.376 1.00 1.32 H new ATOM 0 HA ARG A 517 -6.559 -0.690 10.032 1.00 35.31 H new ATOM 0 HB2 ARG A 517 -6.577 1.547 8.900 1.00 25.11 H new ATOM 0 HB3 ARG A 517 -6.062 1.601 10.574 1.00 25.11 H new ATOM 0 HG2 ARG A 517 -3.784 1.948 9.990 1.00 23.54 H new ATOM 0 HG3 ARG A 517 -4.035 1.429 8.335 1.00 23.54 H new ATOM 0 HD2 ARG A 517 -3.812 3.925 8.619 1.00 15.02 H new ATOM 0 HD3 ARG A 517 -5.271 3.419 7.790 1.00 15.02 H new ATOM 0 HE ARG A 517 -5.610 3.742 10.689 1.00 72.32 H new ATOM 0 HH11 ARG A 517 -5.681 5.292 7.517 1.00 2.05 H new ATOM 0 HH12 ARG A 517 -6.753 6.592 8.048 1.00 2.05 H new ATOM 0 HH21 ARG A 517 -6.987 5.416 11.364 1.00 21.42 H new ATOM 0 HH22 ARG A 517 -7.490 6.661 10.216 1.00 21.42 H new ATOM 567 N TYR A 518 -4.282 -0.918 7.703 1.00 54.42 N ATOM 568 CA TYR A 518 -4.016 -1.403 6.354 1.00 55.22 C ATOM 569 C TYR A 518 -4.484 -2.846 6.192 1.00 52.12 C ATOM 570 O TYR A 518 -5.042 -3.217 5.159 1.00 41.15 O ATOM 571 CB TYR A 518 -2.523 -1.300 6.037 1.00 35.34 C ATOM 572 CG TYR A 518 -2.231 -0.676 4.692 1.00 71.45 C ATOM 573 CD1 TYR A 518 -2.697 -1.258 3.519 1.00 65.15 C ATOM 574 CD2 TYR A 518 -1.489 0.494 4.593 1.00 61.15 C ATOM 575 CE1 TYR A 518 -2.431 -0.692 2.286 1.00 34.15 C ATOM 576 CE2 TYR A 518 -1.220 1.068 3.365 1.00 72.40 C ATOM 577 CZ TYR A 518 -1.693 0.471 2.215 1.00 74.10 C ATOM 578 OH TYR A 518 -1.427 1.039 0.990 1.00 24.42 O ATOM 0 H TYR A 518 -3.446 -0.694 8.243 1.00 54.42 H new ATOM 0 HA TYR A 518 -4.572 -0.779 5.655 1.00 55.22 H new ATOM 0 HB2 TYR A 518 -2.035 -0.712 6.814 1.00 35.34 H new ATOM 0 HB3 TYR A 518 -2.084 -2.297 6.068 1.00 35.34 H new ATOM 0 HD1 TYR A 518 -3.277 -2.168 3.572 1.00 65.15 H new ATOM 0 HD2 TYR A 518 -1.116 0.963 5.491 1.00 61.15 H new ATOM 0 HE1 TYR A 518 -2.799 -1.158 1.384 1.00 34.15 H new ATOM 0 HE2 TYR A 518 -0.643 1.979 3.306 1.00 72.40 H new ATOM 0 HH TYR A 518 -1.042 0.364 0.393 1.00 24.42 H new ATOM 588 N ILE A 519 -4.253 -3.655 7.220 1.00 13.33 N ATOM 589 CA ILE A 519 -4.652 -5.056 7.194 1.00 70.42 C ATOM 590 C ILE A 519 -6.131 -5.201 6.850 1.00 3.15 C ATOM 591 O ILE A 519 -6.956 -4.385 7.259 1.00 33.51 O ATOM 592 CB ILE A 519 -4.381 -5.745 8.545 1.00 44.43 C ATOM 593 CG1 ILE A 519 -2.892 -5.672 8.889 1.00 45.22 C ATOM 594 CG2 ILE A 519 -4.851 -7.191 8.506 1.00 1.02 C ATOM 595 CD1 ILE A 519 -2.622 -5.411 10.354 1.00 10.51 C ATOM 0 H ILE A 519 -3.791 -3.364 8.082 1.00 13.33 H new ATOM 0 HA ILE A 519 -4.053 -5.539 6.422 1.00 70.42 H new ATOM 0 HB ILE A 519 -4.940 -5.223 9.321 1.00 44.43 H new ATOM 0 HG12 ILE A 519 -2.415 -6.609 8.601 1.00 45.22 H new ATOM 0 HG13 ILE A 519 -2.429 -4.883 8.296 1.00 45.22 H new ATOM 0 HG21 ILE A 519 -4.653 -7.664 9.468 1.00 1.02 H new ATOM 0 HG22 ILE A 519 -5.921 -7.220 8.301 1.00 1.02 H new ATOM 0 HG23 ILE A 519 -4.317 -7.726 7.721 1.00 1.02 H new ATOM 0 HD11 ILE A 519 -1.546 -5.372 10.524 1.00 10.51 H new ATOM 0 HD12 ILE A 519 -3.070 -4.460 10.643 1.00 10.51 H new ATOM 0 HD13 ILE A 519 -3.055 -6.213 10.952 1.00 10.51 H new ATOM 607 N GLY A 520 -6.459 -6.247 6.097 1.00 4.44 N ATOM 608 CA GLY A 520 -7.838 -6.481 5.713 1.00 53.50 C ATOM 609 C GLY A 520 -8.682 -6.992 6.864 1.00 51.42 C ATOM 610 O GLY A 520 -8.799 -6.334 7.897 1.00 44.43 O ATOM 0 H GLY A 520 -5.794 -6.936 5.746 1.00 4.44 H new ATOM 0 HA2 GLY A 520 -8.269 -5.554 5.334 1.00 53.50 H new ATOM 0 HA3 GLY A 520 -7.867 -7.203 4.897 1.00 53.50 H new ATOM 614 N ASN A 521 -9.274 -8.168 6.685 1.00 63.21 N ATOM 615 CA ASN A 521 -10.114 -8.766 7.716 1.00 25.25 C ATOM 616 C ASN A 521 -9.305 -9.720 8.591 1.00 50.30 C ATOM 617 O ASN A 521 -8.656 -10.638 8.090 1.00 62.04 O ATOM 618 CB ASN A 521 -11.287 -9.512 7.079 1.00 72.32 C ATOM 619 CG ASN A 521 -12.212 -8.587 6.312 1.00 72.33 C ATOM 620 OD1 ASN A 521 -11.894 -7.419 6.088 1.00 72.22 O ATOM 621 ND2 ASN A 521 -13.365 -9.107 5.905 1.00 25.10 N ATOM 0 H ASN A 521 -9.188 -8.726 5.835 1.00 63.21 H new ATOM 0 HA ASN A 521 -10.501 -7.964 8.344 1.00 25.25 H new ATOM 0 HB2 ASN A 521 -10.904 -10.279 6.405 1.00 72.32 H new ATOM 0 HB3 ASN A 521 -11.853 -10.025 7.856 1.00 72.32 H new ATOM 0 HD21 ASN A 521 -14.028 -8.533 5.384 1.00 25.10 H new ATOM 0 HD22 ASN A 521 -13.587 -10.081 6.113 1.00 25.10 H new ATOM 628 N ILE A 522 -9.350 -9.495 9.900 1.00 71.32 N ATOM 629 CA ILE A 522 -8.624 -10.335 10.844 1.00 65.32 C ATOM 630 C ILE A 522 -9.580 -11.058 11.786 1.00 73.33 C ATOM 631 O ILE A 522 -10.449 -10.440 12.402 1.00 61.14 O ATOM 632 CB ILE A 522 -7.625 -9.511 11.678 1.00 70.11 C ATOM 633 CG1 ILE A 522 -6.776 -8.624 10.766 1.00 43.52 C ATOM 634 CG2 ILE A 522 -6.739 -10.431 12.505 1.00 75.11 C ATOM 635 CD1 ILE A 522 -7.180 -7.166 10.794 1.00 72.24 C ATOM 0 H ILE A 522 -9.881 -8.738 10.330 1.00 71.32 H new ATOM 0 HA ILE A 522 -8.075 -11.069 10.255 1.00 65.32 H new ATOM 0 HB ILE A 522 -8.185 -8.870 12.359 1.00 70.11 H new ATOM 0 HG12 ILE A 522 -5.730 -8.709 11.062 1.00 43.52 H new ATOM 0 HG13 ILE A 522 -6.849 -8.993 9.743 1.00 43.52 H new ATOM 0 HG21 ILE A 522 -6.039 -9.834 13.089 1.00 75.11 H new ATOM 0 HG22 ILE A 522 -7.358 -11.024 13.178 1.00 75.11 H new ATOM 0 HG23 ILE A 522 -6.185 -11.095 11.842 1.00 75.11 H new ATOM 0 HD11 ILE A 522 -6.535 -6.597 10.124 1.00 72.24 H new ATOM 0 HD12 ILE A 522 -8.216 -7.069 10.470 1.00 72.24 H new ATOM 0 HD13 ILE A 522 -7.080 -6.780 11.808 1.00 72.24 H new ATOM 647 N LYS A 523 -9.414 -12.372 11.895 1.00 73.13 N ATOM 648 CA LYS A 523 -10.260 -13.181 12.764 1.00 74.21 C ATOM 649 C LYS A 523 -9.448 -13.787 13.903 1.00 24.44 C ATOM 650 O LYS A 523 -8.236 -13.974 13.784 1.00 22.15 O ATOM 651 CB LYS A 523 -10.938 -14.293 11.959 1.00 13.44 C ATOM 652 CG LYS A 523 -12.144 -14.899 12.656 1.00 22.34 C ATOM 653 CD LYS A 523 -12.758 -16.019 11.834 1.00 74.33 C ATOM 654 CE LYS A 523 -13.190 -17.184 12.712 1.00 51.40 C ATOM 655 NZ LYS A 523 -14.641 -17.122 13.041 1.00 73.24 N ATOM 0 H LYS A 523 -8.701 -12.899 11.392 1.00 73.13 H new ATOM 0 HA LYS A 523 -11.024 -12.532 13.191 1.00 74.21 H new ATOM 0 HB2 LYS A 523 -11.249 -13.893 10.994 1.00 13.44 H new ATOM 0 HB3 LYS A 523 -10.211 -15.080 11.759 1.00 13.44 H new ATOM 0 HG2 LYS A 523 -11.846 -15.283 13.632 1.00 22.34 H new ATOM 0 HG3 LYS A 523 -12.891 -14.125 12.833 1.00 22.34 H new ATOM 0 HD2 LYS A 523 -13.619 -15.638 11.284 1.00 74.33 H new ATOM 0 HD3 LYS A 523 -12.036 -16.367 11.095 1.00 74.33 H new ATOM 0 HE2 LYS A 523 -12.973 -18.123 12.202 1.00 51.40 H new ATOM 0 HE3 LYS A 523 -12.608 -17.180 13.634 1.00 51.40 H new ATOM 0 HZ1 LYS A 523 -14.815 -17.618 13.938 1.00 73.24 H new ATOM 0 HZ2 LYS A 523 -14.934 -16.128 13.132 1.00 73.24 H new ATOM 0 HZ3 LYS A 523 -15.189 -17.577 12.283 1.00 73.24 H new ATOM 669 N LEU A 524 -10.121 -14.094 15.006 1.00 33.15 N ATOM 670 CA LEU A 524 -9.462 -14.681 16.168 1.00 65.34 C ATOM 671 C LEU A 524 -10.378 -15.680 16.867 1.00 23.12 C ATOM 672 O LEU A 524 -11.169 -15.311 17.735 1.00 2.53 O ATOM 673 CB LEU A 524 -9.040 -13.585 17.148 1.00 70.22 C ATOM 674 CG LEU A 524 -8.032 -13.996 18.222 1.00 71.44 C ATOM 675 CD1 LEU A 524 -8.698 -14.873 19.271 1.00 62.12 C ATOM 676 CD2 LEU A 524 -6.849 -14.718 17.594 1.00 64.13 C ATOM 0 H LEU A 524 -11.124 -13.946 15.121 1.00 33.15 H new ATOM 0 HA LEU A 524 -8.575 -15.211 15.822 1.00 65.34 H new ATOM 0 HB2 LEU A 524 -8.616 -12.759 16.577 1.00 70.22 H new ATOM 0 HB3 LEU A 524 -9.933 -13.205 17.643 1.00 70.22 H new ATOM 0 HG LEU A 524 -7.664 -13.095 18.712 1.00 71.44 H new ATOM 0 HD11 LEU A 524 -7.966 -15.156 20.027 1.00 62.12 H new ATOM 0 HD12 LEU A 524 -9.512 -14.322 19.742 1.00 62.12 H new ATOM 0 HD13 LEU A 524 -9.095 -15.771 18.796 1.00 62.12 H new ATOM 0 HD21 LEU A 524 -6.142 -15.003 18.373 1.00 64.13 H new ATOM 0 HD22 LEU A 524 -7.200 -15.612 17.078 1.00 64.13 H new ATOM 0 HD23 LEU A 524 -6.356 -14.057 16.881 1.00 64.13 H new ATOM 688 N PHE A 525 -10.264 -16.948 16.485 1.00 0.21 N ATOM 689 CA PHE A 525 -11.081 -18.001 17.077 1.00 52.14 C ATOM 690 C PHE A 525 -10.373 -18.632 18.272 1.00 13.21 C ATOM 691 O PHE A 525 -9.378 -18.104 18.767 1.00 63.32 O ATOM 692 CB PHE A 525 -11.401 -19.074 16.034 1.00 65.21 C ATOM 693 CG PHE A 525 -12.830 -19.534 16.066 1.00 61.33 C ATOM 694 CD1 PHE A 525 -13.137 -20.872 16.259 1.00 40.52 C ATOM 695 CD2 PHE A 525 -13.867 -18.630 15.902 1.00 45.41 C ATOM 696 CE1 PHE A 525 -14.451 -21.298 16.289 1.00 34.30 C ATOM 697 CE2 PHE A 525 -15.183 -19.050 15.932 1.00 64.44 C ATOM 698 CZ PHE A 525 -15.475 -20.386 16.124 1.00 34.51 C ATOM 0 H PHE A 525 -9.614 -17.271 15.768 1.00 0.21 H new ATOM 0 HA PHE A 525 -12.012 -17.553 17.424 1.00 52.14 H new ATOM 0 HB2 PHE A 525 -11.176 -18.683 15.042 1.00 65.21 H new ATOM 0 HB3 PHE A 525 -10.748 -19.932 16.195 1.00 65.21 H new ATOM 0 HD1 PHE A 525 -12.340 -21.590 16.387 1.00 40.52 H new ATOM 0 HD2 PHE A 525 -13.644 -17.584 15.749 1.00 45.41 H new ATOM 0 HE1 PHE A 525 -14.677 -22.343 16.441 1.00 34.30 H new ATOM 0 HE2 PHE A 525 -15.982 -18.335 15.805 1.00 64.44 H new ATOM 0 HZ PHE A 525 -16.503 -20.717 16.145 1.00 34.51 H new ATOM 708 N ALA A 526 -10.896 -19.764 18.731 1.00 23.32 N ATOM 709 CA ALA A 526 -10.314 -20.468 19.867 1.00 31.52 C ATOM 710 C ALA A 526 -8.971 -21.090 19.499 1.00 72.13 C ATOM 711 O ALA A 526 -8.058 -21.152 20.322 1.00 12.30 O ATOM 712 CB ALA A 526 -11.272 -21.537 20.372 1.00 21.52 C ATOM 0 H ALA A 526 -11.721 -20.213 18.334 1.00 23.32 H new ATOM 0 HA ALA A 526 -10.143 -19.743 20.663 1.00 31.52 H new ATOM 0 HB1 ALA A 526 -10.825 -22.055 21.220 1.00 21.52 H new ATOM 0 HB2 ALA A 526 -12.207 -21.070 20.683 1.00 21.52 H new ATOM 0 HB3 ALA A 526 -11.472 -22.253 19.574 1.00 21.52 H new ATOM 718 N SER A 527 -8.858 -21.550 18.257 1.00 72.31 N ATOM 719 CA SER A 527 -7.628 -22.172 17.781 1.00 42.40 C ATOM 720 C SER A 527 -7.390 -21.848 16.309 1.00 72.30 C ATOM 721 O SER A 527 -6.816 -22.649 15.570 1.00 22.14 O ATOM 722 CB SER A 527 -7.687 -23.687 17.979 1.00 73.52 C ATOM 723 OG SER A 527 -8.208 -24.015 19.255 1.00 22.15 O ATOM 0 H SER A 527 -9.603 -21.504 17.562 1.00 72.31 H new ATOM 0 HA SER A 527 -6.798 -21.770 18.362 1.00 42.40 H new ATOM 0 HB2 SER A 527 -8.308 -24.134 17.203 1.00 73.52 H new ATOM 0 HB3 SER A 527 -6.688 -24.110 17.871 1.00 73.52 H new ATOM 0 HG SER A 527 -8.237 -24.989 19.356 1.00 22.15 H new ATOM 729 N HIS A 528 -7.837 -20.669 15.889 1.00 5.31 N ATOM 730 CA HIS A 528 -7.673 -20.238 14.505 1.00 5.23 C ATOM 731 C HIS A 528 -7.664 -18.715 14.408 1.00 71.22 C ATOM 732 O HIS A 528 -8.087 -18.022 15.333 1.00 40.11 O ATOM 733 CB HIS A 528 -8.792 -20.810 13.635 1.00 43.03 C ATOM 734 CG HIS A 528 -8.667 -22.282 13.390 1.00 20.43 C ATOM 735 ND1 HIS A 528 -9.227 -23.233 14.218 1.00 51.34 N ATOM 736 CD2 HIS A 528 -8.043 -22.966 12.403 1.00 62.12 C ATOM 737 CE1 HIS A 528 -8.951 -24.437 13.751 1.00 74.33 C ATOM 738 NE2 HIS A 528 -8.234 -24.303 12.650 1.00 72.43 N ATOM 0 H HIS A 528 -8.315 -19.995 16.487 1.00 5.31 H new ATOM 0 HA HIS A 528 -6.715 -20.613 14.144 1.00 5.23 H new ATOM 0 HB2 HIS A 528 -9.751 -20.610 14.113 1.00 43.03 H new ATOM 0 HB3 HIS A 528 -8.798 -20.290 12.677 1.00 43.03 H new ATOM 0 HD2 HIS A 528 -7.496 -22.539 11.575 1.00 62.12 H new ATOM 0 HE1 HIS A 528 -9.259 -25.372 14.194 1.00 74.33 H new ATOM 0 HE2 HIS A 528 -7.880 -25.068 12.076 1.00 72.43 H new ATOM 746 N SER A 529 -7.179 -18.202 13.282 1.00 53.33 N ATOM 747 CA SER A 529 -7.112 -16.761 13.065 1.00 25.24 C ATOM 748 C SER A 529 -6.814 -16.445 11.603 1.00 54.12 C ATOM 749 O SER A 529 -5.910 -17.025 11.001 1.00 51.25 O ATOM 750 CB SER A 529 -6.039 -16.140 13.962 1.00 43.44 C ATOM 751 OG SER A 529 -5.127 -17.122 14.422 1.00 44.34 O ATOM 0 H SER A 529 -6.827 -18.762 12.506 1.00 53.33 H new ATOM 0 HA SER A 529 -8.082 -16.334 13.320 1.00 25.24 H new ATOM 0 HB2 SER A 529 -5.501 -15.370 13.410 1.00 43.44 H new ATOM 0 HB3 SER A 529 -6.511 -15.651 14.814 1.00 43.44 H new ATOM 0 HG SER A 529 -5.448 -17.496 15.269 1.00 44.34 H new ATOM 757 N THR A 530 -7.583 -15.520 11.036 1.00 42.12 N ATOM 758 CA THR A 530 -7.404 -15.126 9.644 1.00 33.11 C ATOM 759 C THR A 530 -6.821 -13.722 9.541 1.00 50.54 C ATOM 760 O THR A 530 -6.808 -12.971 10.517 1.00 20.41 O ATOM 761 CB THR A 530 -8.736 -15.175 8.871 1.00 2.12 C ATOM 762 OG1 THR A 530 -9.560 -14.065 9.245 1.00 60.15 O ATOM 763 CG2 THR A 530 -9.474 -16.476 9.146 1.00 22.44 C ATOM 0 H THR A 530 -8.336 -15.030 11.520 1.00 42.12 H new ATOM 0 HA THR A 530 -6.708 -15.838 9.200 1.00 33.11 H new ATOM 0 HB THR A 530 -8.514 -15.120 7.805 1.00 2.12 H new ATOM 0 HG1 THR A 530 -10.404 -14.102 8.748 1.00 60.15 H new ATOM 0 HG21 THR A 530 -10.411 -16.487 8.589 1.00 22.44 H new ATOM 0 HG22 THR A 530 -8.856 -17.318 8.834 1.00 22.44 H new ATOM 0 HG23 THR A 530 -9.684 -16.557 10.212 1.00 22.44 H new ATOM 771 N ILE A 531 -6.340 -13.372 8.352 1.00 12.44 N ATOM 772 CA ILE A 531 -5.757 -12.056 8.122 1.00 13.31 C ATOM 773 C ILE A 531 -5.415 -11.856 6.650 1.00 72.04 C ATOM 774 O ILE A 531 -4.982 -12.787 5.972 1.00 44.13 O ATOM 775 CB ILE A 531 -4.486 -11.848 8.966 1.00 44.33 C ATOM 776 CG1 ILE A 531 -3.846 -10.497 8.639 1.00 43.12 C ATOM 777 CG2 ILE A 531 -3.499 -12.980 8.724 1.00 44.00 C ATOM 778 CD1 ILE A 531 -2.982 -9.951 9.755 1.00 75.42 C ATOM 0 H ILE A 531 -6.343 -13.981 7.534 1.00 12.44 H new ATOM 0 HA ILE A 531 -6.506 -11.323 8.421 1.00 13.31 H new ATOM 0 HB ILE A 531 -4.763 -11.852 10.020 1.00 44.33 H new ATOM 0 HG12 ILE A 531 -3.240 -10.600 7.739 1.00 43.12 H new ATOM 0 HG13 ILE A 531 -4.632 -9.777 8.414 1.00 43.12 H new ATOM 0 HG21 ILE A 531 -2.606 -12.819 9.327 1.00 44.00 H new ATOM 0 HG22 ILE A 531 -3.958 -13.929 9.002 1.00 44.00 H new ATOM 0 HG23 ILE A 531 -3.225 -13.004 7.669 1.00 44.00 H new ATOM 0 HD11 ILE A 531 -2.561 -8.992 9.453 1.00 75.42 H new ATOM 0 HD12 ILE A 531 -3.588 -9.816 10.651 1.00 75.42 H new ATOM 0 HD13 ILE A 531 -2.174 -10.652 9.965 1.00 75.42 H new ATOM 790 N GLU A 532 -5.612 -10.635 6.162 1.00 0.12 N ATOM 791 CA GLU A 532 -5.323 -10.313 4.770 1.00 70.34 C ATOM 792 C GLU A 532 -4.187 -9.299 4.670 1.00 70.32 C ATOM 793 O GLU A 532 -4.275 -8.196 5.210 1.00 53.33 O ATOM 794 CB GLU A 532 -6.574 -9.764 4.080 1.00 65.23 C ATOM 795 CG GLU A 532 -6.531 -9.874 2.565 1.00 44.52 C ATOM 796 CD GLU A 532 -7.716 -10.633 2.001 1.00 41.21 C ATOM 797 OE1 GLU A 532 -8.011 -11.735 2.508 1.00 13.35 O ATOM 798 OE2 GLU A 532 -8.348 -10.124 1.052 1.00 72.15 O ATOM 0 H GLU A 532 -5.970 -9.853 6.710 1.00 0.12 H new ATOM 0 HA GLU A 532 -5.013 -11.230 4.269 1.00 70.34 H new ATOM 0 HB2 GLU A 532 -7.448 -10.300 4.450 1.00 65.23 H new ATOM 0 HB3 GLU A 532 -6.702 -8.717 4.356 1.00 65.23 H new ATOM 0 HG2 GLU A 532 -6.506 -8.874 2.133 1.00 44.52 H new ATOM 0 HG3 GLU A 532 -5.609 -10.373 2.267 1.00 44.52 H new ATOM 805 N LEU A 533 -3.120 -9.681 3.976 1.00 33.54 N ATOM 806 CA LEU A 533 -1.965 -8.807 3.805 1.00 14.23 C ATOM 807 C LEU A 533 -1.975 -8.155 2.426 1.00 32.32 C ATOM 808 O LEU A 533 -2.003 -8.828 1.395 1.00 12.31 O ATOM 809 CB LEU A 533 -0.670 -9.596 4.000 1.00 63.32 C ATOM 810 CG LEU A 533 0.145 -9.252 5.247 1.00 63.00 C ATOM 811 CD1 LEU A 533 -0.679 -9.482 6.504 1.00 73.42 C ATOM 812 CD2 LEU A 533 1.427 -10.072 5.290 1.00 54.11 C ATOM 0 H LEU A 533 -3.031 -10.590 3.523 1.00 33.54 H new ATOM 0 HA LEU A 533 -2.020 -8.021 4.558 1.00 14.23 H new ATOM 0 HB2 LEU A 533 -0.916 -10.657 4.033 1.00 63.32 H new ATOM 0 HB3 LEU A 533 -0.039 -9.442 3.124 1.00 63.32 H new ATOM 0 HG LEU A 533 0.414 -8.197 5.202 1.00 63.00 H new ATOM 0 HD11 LEU A 533 -0.082 -9.232 7.381 1.00 73.42 H new ATOM 0 HD12 LEU A 533 -1.567 -8.851 6.477 1.00 73.42 H new ATOM 0 HD13 LEU A 533 -0.979 -10.529 6.556 1.00 73.42 H new ATOM 0 HD21 LEU A 533 1.994 -9.814 6.184 1.00 54.11 H new ATOM 0 HD22 LEU A 533 1.180 -11.133 5.311 1.00 54.11 H new ATOM 0 HD23 LEU A 533 2.026 -9.857 4.405 1.00 54.11 H new ATOM 824 N PRO A 534 -1.949 -6.814 2.405 1.00 74.44 N ATOM 825 CA PRO A 534 -1.952 -6.043 1.158 1.00 1.44 C ATOM 826 C PRO A 534 -0.642 -6.178 0.390 1.00 3.32 C ATOM 827 O PRO A 534 -0.514 -5.687 -0.732 1.00 72.50 O ATOM 828 CB PRO A 534 -2.146 -4.601 1.634 1.00 14.25 C ATOM 829 CG PRO A 534 -1.620 -4.588 3.028 1.00 44.21 C ATOM 830 CD PRO A 534 -1.915 -5.949 3.595 1.00 13.42 C ATOM 0 HA PRO A 534 -2.723 -6.387 0.468 1.00 1.44 H new ATOM 0 HB2 PRO A 534 -1.605 -3.899 1.000 1.00 14.25 H new ATOM 0 HB3 PRO A 534 -3.197 -4.312 1.605 1.00 14.25 H new ATOM 0 HG2 PRO A 534 -0.549 -4.384 3.039 1.00 44.21 H new ATOM 0 HG3 PRO A 534 -2.099 -3.807 3.619 1.00 44.21 H new ATOM 0 HD2 PRO A 534 -1.147 -6.266 4.300 1.00 13.42 H new ATOM 0 HD3 PRO A 534 -2.864 -5.964 4.130 1.00 13.42 H new ATOM 838 N LYS A 535 0.331 -6.846 1.001 1.00 33.11 N ATOM 839 CA LYS A 535 1.632 -7.048 0.375 1.00 53.05 C ATOM 840 C LYS A 535 1.474 -7.521 -1.067 1.00 51.52 C ATOM 841 O LYS A 535 0.427 -8.043 -1.448 1.00 42.54 O ATOM 842 CB LYS A 535 2.451 -8.067 1.170 1.00 61.14 C ATOM 843 CG LYS A 535 2.741 -7.634 2.596 1.00 24.02 C ATOM 844 CD LYS A 535 3.533 -6.338 2.635 1.00 4.13 C ATOM 845 CE LYS A 535 4.881 -6.487 1.946 1.00 72.04 C ATOM 846 NZ LYS A 535 5.707 -7.559 2.567 1.00 14.25 N ATOM 0 H LYS A 535 0.243 -7.257 1.930 1.00 33.11 H new ATOM 0 HA LYS A 535 2.157 -6.093 0.371 1.00 53.05 H new ATOM 0 HB2 LYS A 535 1.915 -9.016 1.189 1.00 61.14 H new ATOM 0 HB3 LYS A 535 3.395 -8.244 0.654 1.00 61.14 H new ATOM 0 HG2 LYS A 535 1.803 -7.505 3.136 1.00 24.02 H new ATOM 0 HG3 LYS A 535 3.298 -8.418 3.109 1.00 24.02 H new ATOM 0 HD2 LYS A 535 2.961 -5.546 2.151 1.00 4.13 H new ATOM 0 HD3 LYS A 535 3.684 -6.034 3.671 1.00 4.13 H new ATOM 0 HE2 LYS A 535 4.726 -6.713 0.891 1.00 72.04 H new ATOM 0 HE3 LYS A 535 5.419 -5.540 1.993 1.00 72.04 H new ATOM 0 HZ1 LYS A 535 6.682 -7.496 2.211 1.00 14.25 H new ATOM 0 HZ2 LYS A 535 5.707 -7.442 3.600 1.00 14.25 H new ATOM 0 HZ3 LYS A 535 5.309 -8.489 2.324 1.00 14.25 H new ATOM 860 N GLY A 536 2.522 -7.335 -1.864 1.00 52.14 N ATOM 861 CA GLY A 536 2.479 -7.749 -3.255 1.00 31.14 C ATOM 862 C GLY A 536 3.798 -8.327 -3.728 1.00 53.14 C ATOM 863 O GLY A 536 4.270 -8.002 -4.817 1.00 54.14 O ATOM 0 H GLY A 536 3.400 -6.905 -1.572 1.00 52.14 H new ATOM 0 HA2 GLY A 536 1.692 -8.492 -3.386 1.00 31.14 H new ATOM 0 HA3 GLY A 536 2.216 -6.894 -3.878 1.00 31.14 H new ATOM 867 N MET A 537 4.395 -9.185 -2.908 1.00 11.02 N ATOM 868 CA MET A 537 5.668 -9.809 -3.250 1.00 10.35 C ATOM 869 C MET A 537 6.079 -10.823 -2.187 1.00 0.12 C ATOM 870 O MET A 537 7.061 -10.640 -1.467 1.00 62.32 O ATOM 871 CB MET A 537 6.756 -8.745 -3.404 1.00 4.21 C ATOM 872 CG MET A 537 7.861 -9.141 -4.369 1.00 64.54 C ATOM 873 SD MET A 537 8.698 -7.716 -5.091 1.00 72.52 S ATOM 874 CE MET A 537 10.406 -8.250 -5.011 1.00 53.12 C ATOM 0 H MET A 537 4.018 -9.464 -2.002 1.00 11.02 H new ATOM 0 HA MET A 537 5.545 -10.333 -4.198 1.00 10.35 H new ATOM 0 HB2 MET A 537 6.299 -7.817 -3.749 1.00 4.21 H new ATOM 0 HB3 MET A 537 7.194 -8.541 -2.427 1.00 4.21 H new ATOM 0 HG2 MET A 537 8.591 -9.759 -3.846 1.00 64.54 H new ATOM 0 HG3 MET A 537 7.439 -9.752 -5.167 1.00 64.54 H new ATOM 0 HE1 MET A 537 11.050 -7.473 -5.422 1.00 53.12 H new ATOM 0 HE2 MET A 537 10.681 -8.437 -3.973 1.00 53.12 H new ATOM 0 HE3 MET A 537 10.528 -9.166 -5.589 1.00 53.12 H new ATOM 884 N PRO A 538 5.311 -11.918 -2.084 1.00 43.10 N ATOM 885 CA PRO A 538 5.577 -12.983 -1.112 1.00 12.51 C ATOM 886 C PRO A 538 6.834 -13.776 -1.450 1.00 60.25 C ATOM 887 O PRO A 538 7.608 -13.389 -2.325 1.00 53.01 O ATOM 888 CB PRO A 538 4.337 -13.875 -1.215 1.00 42.53 C ATOM 889 CG PRO A 538 3.813 -13.637 -2.590 1.00 22.15 C ATOM 890 CD PRO A 538 4.125 -12.201 -2.909 1.00 61.33 C ATOM 0 HA PRO A 538 5.752 -12.587 -0.112 1.00 12.51 H new ATOM 0 HB2 PRO A 538 4.590 -14.924 -1.064 1.00 42.53 H new ATOM 0 HB3 PRO A 538 3.597 -13.614 -0.458 1.00 42.53 H new ATOM 0 HG2 PRO A 538 4.284 -14.308 -3.309 1.00 22.15 H new ATOM 0 HG3 PRO A 538 2.740 -13.823 -2.636 1.00 22.15 H new ATOM 0 HD2 PRO A 538 4.331 -12.061 -3.970 1.00 61.33 H new ATOM 0 HD3 PRO A 538 3.293 -11.543 -2.656 1.00 61.33 H new ATOM 898 N GLY A 539 7.031 -14.890 -0.752 1.00 25.14 N ATOM 899 CA GLY A 539 8.197 -15.721 -0.994 1.00 15.15 C ATOM 900 C GLY A 539 9.391 -15.302 -0.159 1.00 52.34 C ATOM 901 O GLY A 539 10.434 -15.953 -0.188 1.00 23.13 O ATOM 0 H GLY A 539 6.405 -15.232 -0.023 1.00 25.14 H new ATOM 0 HA2 GLY A 539 7.951 -16.760 -0.775 1.00 15.15 H new ATOM 0 HA3 GLY A 539 8.461 -15.672 -2.050 1.00 15.15 H new ATOM 905 N GLU A 540 9.238 -14.210 0.584 1.00 71.13 N ATOM 906 CA GLU A 540 10.314 -13.704 1.427 1.00 24.12 C ATOM 907 C GLU A 540 10.393 -14.485 2.736 1.00 60.01 C ATOM 908 O GLU A 540 11.456 -14.977 3.116 1.00 51.43 O ATOM 909 CB GLU A 540 10.107 -12.217 1.720 1.00 53.31 C ATOM 910 CG GLU A 540 9.549 -11.437 0.541 1.00 13.44 C ATOM 911 CD GLU A 540 9.708 -9.938 0.706 1.00 10.40 C ATOM 912 OE1 GLU A 540 9.685 -9.463 1.861 1.00 41.41 O ATOM 913 OE2 GLU A 540 9.855 -9.240 -0.319 1.00 1.21 O ATOM 0 H GLU A 540 8.380 -13.660 0.619 1.00 71.13 H new ATOM 0 HA GLU A 540 11.253 -13.833 0.889 1.00 24.12 H new ATOM 0 HB2 GLU A 540 9.429 -12.113 2.567 1.00 53.31 H new ATOM 0 HB3 GLU A 540 11.059 -11.778 2.018 1.00 53.31 H new ATOM 0 HG2 GLU A 540 10.054 -11.754 -0.371 1.00 13.44 H new ATOM 0 HG3 GLU A 540 8.492 -11.675 0.420 1.00 13.44 H new ATOM 920 N VAL A 541 9.260 -14.595 3.422 1.00 53.41 N ATOM 921 CA VAL A 541 9.199 -15.316 4.688 1.00 52.43 C ATOM 922 C VAL A 541 9.155 -16.822 4.460 1.00 33.42 C ATOM 923 O VAL A 541 9.675 -17.598 5.263 1.00 33.24 O ATOM 924 CB VAL A 541 7.969 -14.896 5.514 1.00 13.10 C ATOM 925 CG1 VAL A 541 7.978 -15.582 6.871 1.00 33.25 C ATOM 926 CG2 VAL A 541 7.924 -13.384 5.672 1.00 3.43 C ATOM 0 H VAL A 541 8.371 -14.194 3.122 1.00 53.41 H new ATOM 0 HA VAL A 541 10.103 -15.062 5.242 1.00 52.43 H new ATOM 0 HB VAL A 541 7.071 -15.209 4.981 1.00 13.10 H new ATOM 0 HG11 VAL A 541 7.102 -15.273 7.441 1.00 33.25 H new ATOM 0 HG12 VAL A 541 7.958 -16.663 6.732 1.00 33.25 H new ATOM 0 HG13 VAL A 541 8.881 -15.302 7.414 1.00 33.25 H new ATOM 0 HG21 VAL A 541 7.048 -13.105 6.258 1.00 3.43 H new ATOM 0 HG22 VAL A 541 8.825 -13.045 6.182 1.00 3.43 H new ATOM 0 HG23 VAL A 541 7.866 -12.917 4.689 1.00 3.43 H new ATOM 936 N LEU A 542 8.531 -17.231 3.361 1.00 63.03 N ATOM 937 CA LEU A 542 8.419 -18.646 3.026 1.00 63.51 C ATOM 938 C LEU A 542 9.788 -19.243 2.715 1.00 5.43 C ATOM 939 O LEU A 542 9.983 -20.455 2.805 1.00 14.52 O ATOM 940 CB LEU A 542 7.485 -18.835 1.830 1.00 72.43 C ATOM 941 CG LEU A 542 5.987 -18.758 2.129 1.00 63.10 C ATOM 942 CD1 LEU A 542 5.497 -17.322 2.032 1.00 1.34 C ATOM 943 CD2 LEU A 542 5.207 -19.655 1.179 1.00 34.04 C ATOM 0 H LEU A 542 8.095 -16.602 2.686 1.00 63.03 H new ATOM 0 HA LEU A 542 8.004 -19.166 3.890 1.00 63.51 H new ATOM 0 HB2 LEU A 542 7.725 -18.078 1.084 1.00 72.43 H new ATOM 0 HB3 LEU A 542 7.696 -19.805 1.380 1.00 72.43 H new ATOM 0 HG LEU A 542 5.820 -19.109 3.147 1.00 63.10 H new ATOM 0 HD11 LEU A 542 4.429 -17.287 2.248 1.00 1.34 H new ATOM 0 HD12 LEU A 542 6.034 -16.705 2.753 1.00 1.34 H new ATOM 0 HD13 LEU A 542 5.677 -16.943 1.026 1.00 1.34 H new ATOM 0 HD21 LEU A 542 4.143 -19.588 1.406 1.00 34.04 H new ATOM 0 HD22 LEU A 542 5.380 -19.334 0.152 1.00 34.04 H new ATOM 0 HD23 LEU A 542 5.539 -20.686 1.298 1.00 34.04 H new ATOM 955 N GLN A 543 10.734 -18.382 2.352 1.00 61.22 N ATOM 956 CA GLN A 543 12.086 -18.825 2.030 1.00 53.54 C ATOM 957 C GLN A 543 12.890 -19.084 3.299 1.00 64.42 C ATOM 958 O GLN A 543 13.368 -20.196 3.527 1.00 60.33 O ATOM 959 CB GLN A 543 12.795 -17.779 1.167 1.00 71.31 C ATOM 960 CG GLN A 543 12.533 -17.940 -0.322 1.00 20.11 C ATOM 961 CD GLN A 543 12.954 -16.724 -1.123 1.00 62.12 C ATOM 962 OE1 GLN A 543 13.321 -15.692 -0.561 1.00 20.14 O ATOM 963 NE2 GLN A 543 12.904 -16.839 -2.445 1.00 60.52 N ATOM 0 H GLN A 543 10.589 -17.375 2.274 1.00 61.22 H new ATOM 0 HA GLN A 543 12.013 -19.758 1.471 1.00 53.54 H new ATOM 0 HB2 GLN A 543 12.474 -16.785 1.479 1.00 71.31 H new ATOM 0 HB3 GLN A 543 13.868 -17.838 1.347 1.00 71.31 H new ATOM 0 HG2 GLN A 543 13.069 -18.815 -0.689 1.00 20.11 H new ATOM 0 HG3 GLN A 543 11.471 -18.126 -0.482 1.00 20.11 H new ATOM 0 HE21 GLN A 543 12.594 -17.713 -2.870 1.00 60.52 H new ATOM 0 HE22 GLN A 543 13.176 -16.053 -3.036 1.00 60.52 H new ATOM 972 N HIS A 544 13.037 -18.051 4.122 1.00 24.44 N ATOM 973 CA HIS A 544 13.785 -18.168 5.370 1.00 73.34 C ATOM 974 C HIS A 544 12.998 -18.970 6.401 1.00 35.54 C ATOM 975 O HIS A 544 13.492 -19.959 6.943 1.00 24.13 O ATOM 976 CB HIS A 544 14.111 -16.782 5.925 1.00 11.32 C ATOM 977 CG HIS A 544 15.364 -16.189 5.358 1.00 52.31 C ATOM 978 ND1 HIS A 544 16.583 -16.832 5.392 1.00 41.32 N ATOM 979 CD2 HIS A 544 15.581 -15.005 4.739 1.00 64.05 C ATOM 980 CE1 HIS A 544 17.497 -16.069 4.819 1.00 11.54 C ATOM 981 NE2 HIS A 544 16.915 -14.954 4.414 1.00 72.41 N ATOM 0 H HIS A 544 12.649 -17.124 3.948 1.00 24.44 H new ATOM 0 HA HIS A 544 14.716 -18.695 5.160 1.00 73.34 H new ATOM 0 HB2 HIS A 544 13.276 -16.112 5.719 1.00 11.32 H new ATOM 0 HB3 HIS A 544 14.208 -16.847 7.009 1.00 11.32 H new ATOM 0 HD2 HIS A 544 14.843 -14.242 4.538 1.00 64.05 H new ATOM 0 HE1 HIS A 544 18.542 -16.315 4.702 1.00 11.54 H new ATOM 0 HE2 HIS A 544 17.380 -14.181 3.938 1.00 72.41 H new ATOM 989 N PHE A 545 11.770 -18.538 6.669 1.00 11.20 N ATOM 990 CA PHE A 545 10.915 -19.215 7.637 1.00 11.43 C ATOM 991 C PHE A 545 10.108 -20.324 6.969 1.00 42.03 C ATOM 992 O PHE A 545 8.906 -20.459 7.199 1.00 51.05 O ATOM 993 CB PHE A 545 9.970 -18.212 8.304 1.00 61.34 C ATOM 994 CG PHE A 545 10.588 -17.486 9.464 1.00 21.22 C ATOM 995 CD1 PHE A 545 9.949 -17.447 10.693 1.00 4.50 C ATOM 996 CD2 PHE A 545 11.808 -16.843 9.326 1.00 55.00 C ATOM 997 CE1 PHE A 545 10.516 -16.780 11.763 1.00 15.42 C ATOM 998 CE2 PHE A 545 12.379 -16.175 10.393 1.00 54.14 C ATOM 999 CZ PHE A 545 11.731 -16.142 11.612 1.00 23.13 C ATOM 0 H PHE A 545 11.345 -17.722 6.229 1.00 11.20 H new ATOM 0 HA PHE A 545 11.554 -19.663 8.398 1.00 11.43 H new ATOM 0 HB2 PHE A 545 9.644 -17.483 7.562 1.00 61.34 H new ATOM 0 HB3 PHE A 545 9.079 -18.738 8.648 1.00 61.34 H new ATOM 0 HD1 PHE A 545 8.998 -17.943 10.816 1.00 4.50 H new ATOM 0 HD2 PHE A 545 12.318 -16.864 8.374 1.00 55.00 H new ATOM 0 HE1 PHE A 545 10.009 -16.758 12.716 1.00 15.42 H new ATOM 0 HE2 PHE A 545 13.331 -15.679 10.273 1.00 54.14 H new ATOM 0 HZ PHE A 545 12.174 -15.618 12.446 1.00 23.13 H new ATOM 1009 N THR A 546 10.779 -21.117 6.138 1.00 34.05 N ATOM 1010 CA THR A 546 10.126 -22.213 5.435 1.00 73.44 C ATOM 1011 C THR A 546 9.754 -23.339 6.393 1.00 1.45 C ATOM 1012 O THR A 546 8.754 -24.029 6.198 1.00 54.24 O ATOM 1013 CB THR A 546 11.025 -22.780 4.320 1.00 61.21 C ATOM 1014 OG1 THR A 546 10.280 -23.692 3.505 1.00 12.30 O ATOM 1015 CG2 THR A 546 12.234 -23.491 4.909 1.00 21.02 C ATOM 0 H THR A 546 11.774 -21.020 5.936 1.00 34.05 H new ATOM 0 HA THR A 546 9.219 -21.805 4.989 1.00 73.44 H new ATOM 0 HB THR A 546 11.374 -21.948 3.708 1.00 61.21 H new ATOM 0 HG1 THR A 546 10.859 -24.046 2.798 1.00 12.30 H new ATOM 0 HG21 THR A 546 12.854 -23.883 4.103 1.00 21.02 H new ATOM 0 HG22 THR A 546 12.815 -22.787 5.505 1.00 21.02 H new ATOM 0 HG23 THR A 546 11.900 -24.313 5.542 1.00 21.02 H new ATOM 1023 N ARG A 547 10.565 -23.518 7.431 1.00 43.12 N ATOM 1024 CA ARG A 547 10.321 -24.560 8.420 1.00 23.43 C ATOM 1025 C ARG A 547 10.092 -23.955 9.802 1.00 23.43 C ATOM 1026 O ARG A 547 9.488 -24.581 10.674 1.00 12.01 O ATOM 1027 CB ARG A 547 11.500 -25.535 8.467 1.00 11.52 C ATOM 1028 CG ARG A 547 11.119 -26.930 8.935 1.00 53.34 C ATOM 1029 CD ARG A 547 11.558 -27.176 10.370 1.00 51.15 C ATOM 1030 NE ARG A 547 12.902 -27.743 10.441 1.00 73.31 N ATOM 1031 CZ ARG A 547 13.643 -27.741 11.543 1.00 34.44 C ATOM 1032 NH1 ARG A 547 13.172 -27.205 12.661 1.00 24.32 N ATOM 1033 NH2 ARG A 547 14.856 -28.277 11.529 1.00 25.24 N ATOM 0 H ARG A 547 11.397 -22.955 7.608 1.00 43.12 H new ATOM 0 HA ARG A 547 9.422 -25.102 8.126 1.00 23.43 H new ATOM 0 HB2 ARG A 547 11.944 -25.603 7.474 1.00 11.52 H new ATOM 0 HB3 ARG A 547 12.265 -25.134 9.132 1.00 11.52 H new ATOM 0 HG2 ARG A 547 10.040 -27.059 8.857 1.00 53.34 H new ATOM 0 HG3 ARG A 547 11.577 -27.672 8.281 1.00 53.34 H new ATOM 0 HD2 ARG A 547 11.531 -26.237 10.923 1.00 51.15 H new ATOM 0 HD3 ARG A 547 10.853 -27.852 10.854 1.00 51.15 H new ATOM 0 HE ARG A 547 13.293 -28.164 9.598 1.00 73.31 H new ATOM 0 HH11 ARG A 547 12.239 -26.793 12.676 1.00 24.32 H new ATOM 0 HH12 ARG A 547 13.743 -27.205 13.506 1.00 24.32 H new ATOM 0 HH21 ARG A 547 15.221 -28.691 10.671 1.00 25.24 H new ATOM 0 HH22 ARG A 547 15.424 -28.275 12.376 1.00 25.24 H new ATOM 1047 N THR A 548 10.580 -22.734 9.996 1.00 11.12 N ATOM 1048 CA THR A 548 10.430 -22.045 11.272 1.00 43.23 C ATOM 1049 C THR A 548 9.231 -21.104 11.251 1.00 32.32 C ATOM 1050 O THR A 548 9.142 -20.214 10.405 1.00 24.23 O ATOM 1051 CB THR A 548 11.694 -21.239 11.626 1.00 1.15 C ATOM 1052 OG1 THR A 548 12.831 -22.108 11.676 1.00 3.41 O ATOM 1053 CG2 THR A 548 11.529 -20.535 12.965 1.00 51.54 C ATOM 0 H THR A 548 11.083 -22.202 9.286 1.00 11.12 H new ATOM 0 HA THR A 548 10.273 -22.813 12.030 1.00 43.23 H new ATOM 0 HB THR A 548 11.846 -20.486 10.853 1.00 1.15 H new ATOM 0 HG1 THR A 548 13.631 -21.588 11.900 1.00 3.41 H new ATOM 0 HG21 THR A 548 12.434 -19.972 13.194 1.00 51.54 H new ATOM 0 HG22 THR A 548 10.680 -19.853 12.915 1.00 51.54 H new ATOM 0 HG23 THR A 548 11.354 -21.275 13.746 1.00 51.54 H new ATOM 1061 N ARG A 549 8.310 -21.307 12.188 1.00 52.13 N ATOM 1062 CA ARG A 549 7.115 -20.477 12.276 1.00 13.43 C ATOM 1063 C ARG A 549 6.615 -20.394 13.716 1.00 64.22 C ATOM 1064 O ARG A 549 7.179 -21.019 14.615 1.00 10.32 O ATOM 1065 CB ARG A 549 6.012 -21.034 11.374 1.00 64.21 C ATOM 1066 CG ARG A 549 6.242 -20.767 9.895 1.00 24.24 C ATOM 1067 CD ARG A 549 6.772 -22.001 9.182 1.00 23.33 C ATOM 1068 NE ARG A 549 5.786 -22.572 8.269 1.00 53.40 N ATOM 1069 CZ ARG A 549 5.557 -22.102 7.048 1.00 41.04 C ATOM 1070 NH1 ARG A 549 6.241 -21.060 6.595 1.00 23.25 N ATOM 1071 NH2 ARG A 549 4.643 -22.675 6.276 1.00 74.15 N ATOM 0 H ARG A 549 8.369 -22.039 12.896 1.00 52.13 H new ATOM 0 HA ARG A 549 7.376 -19.473 11.941 1.00 13.43 H new ATOM 0 HB2 ARG A 549 5.933 -22.110 11.532 1.00 64.21 H new ATOM 0 HB3 ARG A 549 5.058 -20.598 11.669 1.00 64.21 H new ATOM 0 HG2 ARG A 549 5.307 -20.451 9.432 1.00 24.24 H new ATOM 0 HG3 ARG A 549 6.949 -19.946 9.778 1.00 24.24 H new ATOM 0 HD2 ARG A 549 7.672 -21.739 8.626 1.00 23.33 H new ATOM 0 HD3 ARG A 549 7.059 -22.750 9.920 1.00 23.33 H new ATOM 0 HE ARG A 549 5.244 -23.376 8.586 1.00 53.40 H new ATOM 0 HH11 ARG A 549 6.945 -20.617 7.185 1.00 23.25 H new ATOM 0 HH12 ARG A 549 6.063 -20.702 5.657 1.00 23.25 H new ATOM 0 HH21 ARG A 549 4.115 -23.477 6.620 1.00 74.15 H new ATOM 0 HH22 ARG A 549 4.468 -22.313 5.339 1.00 74.15 H new ATOM 1085 N ILE A 550 5.556 -19.620 13.926 1.00 62.03 N ATOM 1086 CA ILE A 550 4.981 -19.457 15.255 1.00 3.22 C ATOM 1087 C ILE A 550 3.607 -18.801 15.183 1.00 12.40 C ATOM 1088 O ILE A 550 3.108 -18.497 14.099 1.00 53.14 O ATOM 1089 CB ILE A 550 5.894 -18.612 16.163 1.00 1.14 C ATOM 1090 CG1 ILE A 550 5.678 -18.987 17.631 1.00 42.20 C ATOM 1091 CG2 ILE A 550 5.632 -17.129 15.946 1.00 73.22 C ATOM 1092 CD1 ILE A 550 6.966 -19.191 18.398 1.00 12.53 C ATOM 0 H ILE A 550 5.079 -19.096 13.193 1.00 62.03 H new ATOM 0 HA ILE A 550 4.882 -20.456 15.681 1.00 3.22 H new ATOM 0 HB ILE A 550 6.932 -18.819 15.903 1.00 1.14 H new ATOM 0 HG12 ILE A 550 5.096 -18.203 18.116 1.00 42.20 H new ATOM 0 HG13 ILE A 550 5.086 -19.901 17.681 1.00 42.20 H new ATOM 0 HG21 ILE A 550 6.285 -16.545 16.595 1.00 73.22 H new ATOM 0 HG22 ILE A 550 5.831 -16.873 14.905 1.00 73.22 H new ATOM 0 HG23 ILE A 550 4.592 -16.905 16.182 1.00 73.22 H new ATOM 0 HD11 ILE A 550 6.737 -19.454 19.431 1.00 12.53 H new ATOM 0 HD12 ILE A 550 7.540 -19.995 17.937 1.00 12.53 H new ATOM 0 HD13 ILE A 550 7.550 -18.271 18.379 1.00 12.53 H new ATOM 1104 N LEU A 551 3.000 -18.583 16.344 1.00 12.33 N ATOM 1105 CA LEU A 551 1.682 -17.960 16.414 1.00 4.21 C ATOM 1106 C LEU A 551 1.531 -16.884 15.343 1.00 23.04 C ATOM 1107 O LEU A 551 0.489 -16.779 14.698 1.00 2.43 O ATOM 1108 CB LEU A 551 1.457 -17.352 17.800 1.00 54.05 C ATOM 1109 CG LEU A 551 2.363 -16.178 18.173 1.00 33.33 C ATOM 1110 CD1 LEU A 551 1.709 -14.858 17.796 1.00 60.02 C ATOM 1111 CD2 LEU A 551 2.689 -16.208 19.659 1.00 33.44 C ATOM 0 H LEU A 551 3.399 -18.828 17.250 1.00 12.33 H new ATOM 0 HA LEU A 551 0.932 -18.731 16.236 1.00 4.21 H new ATOM 0 HB2 LEU A 551 0.421 -17.020 17.865 1.00 54.05 H new ATOM 0 HB3 LEU A 551 1.588 -18.137 18.545 1.00 54.05 H new ATOM 0 HG LEU A 551 3.294 -16.271 17.614 1.00 33.33 H new ATOM 0 HD11 LEU A 551 2.368 -14.034 18.069 1.00 60.02 H new ATOM 0 HD12 LEU A 551 1.527 -14.836 16.722 1.00 60.02 H new ATOM 0 HD13 LEU A 551 0.762 -14.756 18.327 1.00 60.02 H new ATOM 0 HD21 LEU A 551 3.335 -15.365 19.907 1.00 33.44 H new ATOM 0 HD22 LEU A 551 1.766 -16.140 20.235 1.00 33.44 H new ATOM 0 HD23 LEU A 551 3.200 -17.140 19.901 1.00 33.44 H new ATOM 1123 N ASN A 552 2.580 -16.089 15.159 1.00 41.41 N ATOM 1124 CA ASN A 552 2.565 -15.022 14.165 1.00 54.41 C ATOM 1125 C ASN A 552 2.769 -15.583 12.761 1.00 74.00 C ATOM 1126 O ASN A 552 1.901 -15.454 11.896 1.00 25.45 O ATOM 1127 CB ASN A 552 3.651 -13.990 14.477 1.00 73.14 C ATOM 1128 CG ASN A 552 3.703 -12.877 13.448 1.00 1.21 C ATOM 1129 OD1 ASN A 552 2.670 -12.412 12.967 1.00 14.33 O ATOM 1130 ND2 ASN A 552 4.911 -12.444 13.106 1.00 70.34 N ATOM 0 H ASN A 552 3.451 -16.163 15.685 1.00 41.41 H new ATOM 0 HA ASN A 552 1.590 -14.537 14.205 1.00 54.41 H new ATOM 0 HB2 ASN A 552 3.469 -13.562 15.463 1.00 73.14 H new ATOM 0 HB3 ASN A 552 4.620 -14.488 14.519 1.00 73.14 H new ATOM 0 HD21 ASN A 552 5.009 -11.697 12.419 1.00 70.34 H new ATOM 0 HD22 ASN A 552 5.741 -12.859 13.531 1.00 70.34 H new ATOM 1137 N LYS A 553 3.921 -16.207 12.541 1.00 11.10 N ATOM 1138 CA LYS A 553 4.240 -16.791 11.243 1.00 0.45 C ATOM 1139 C LYS A 553 3.256 -17.901 10.889 1.00 12.24 C ATOM 1140 O LYS A 553 2.546 -18.430 11.745 1.00 61.21 O ATOM 1141 CB LYS A 553 5.668 -17.342 11.246 1.00 13.14 C ATOM 1142 CG LYS A 553 6.644 -16.498 12.047 1.00 10.22 C ATOM 1143 CD LYS A 553 6.601 -15.040 11.621 1.00 51.02 C ATOM 1144 CE LYS A 553 6.958 -14.878 10.151 1.00 20.32 C ATOM 1145 NZ LYS A 553 7.824 -13.690 9.918 1.00 5.35 N ATOM 0 H LYS A 553 4.650 -16.322 13.245 1.00 11.10 H new ATOM 0 HA LYS A 553 4.161 -16.007 10.490 1.00 0.45 H new ATOM 0 HB2 LYS A 553 5.657 -18.354 11.652 1.00 13.14 H new ATOM 0 HB3 LYS A 553 6.023 -17.415 10.218 1.00 13.14 H new ATOM 0 HG2 LYS A 553 6.407 -16.575 13.108 1.00 10.22 H new ATOM 0 HG3 LYS A 553 7.654 -16.886 11.917 1.00 10.22 H new ATOM 0 HD2 LYS A 553 5.605 -14.636 11.801 1.00 51.02 H new ATOM 0 HD3 LYS A 553 7.294 -14.461 12.231 1.00 51.02 H new ATOM 0 HE2 LYS A 553 7.470 -15.774 9.801 1.00 20.32 H new ATOM 0 HE3 LYS A 553 6.045 -14.782 9.564 1.00 20.32 H new ATOM 0 HZ1 LYS A 553 8.045 -13.615 8.904 1.00 5.35 H new ATOM 0 HZ2 LYS A 553 7.326 -12.831 10.229 1.00 5.35 H new ATOM 0 HZ3 LYS A 553 8.707 -13.793 10.458 1.00 5.35 H new ATOM 1159 N PRO A 554 3.211 -18.264 9.599 1.00 24.10 N ATOM 1160 CA PRO A 554 2.319 -19.316 9.103 1.00 24.42 C ATOM 1161 C PRO A 554 2.737 -20.703 9.581 1.00 40.04 C ATOM 1162 O PRO A 554 3.332 -21.475 8.829 1.00 32.23 O ATOM 1163 CB PRO A 554 2.457 -19.211 7.582 1.00 0.53 C ATOM 1164 CG PRO A 554 3.801 -18.605 7.365 1.00 72.22 C ATOM 1165 CD PRO A 554 4.029 -17.676 8.525 1.00 40.02 C ATOM 0 HA PRO A 554 1.298 -19.187 9.462 1.00 24.42 H new ATOM 0 HB2 PRO A 554 2.383 -20.190 7.109 1.00 0.53 H new ATOM 0 HB3 PRO A 554 1.669 -18.591 7.155 1.00 0.53 H new ATOM 0 HG2 PRO A 554 4.573 -19.373 7.323 1.00 72.22 H new ATOM 0 HG3 PRO A 554 3.837 -18.064 6.419 1.00 72.22 H new ATOM 0 HD2 PRO A 554 5.082 -17.630 8.802 1.00 40.02 H new ATOM 0 HD3 PRO A 554 3.715 -16.658 8.292 1.00 40.02 H new ATOM 1173 N MET A 555 2.421 -21.012 10.834 1.00 23.20 N ATOM 1174 CA MET A 555 2.763 -22.307 11.410 1.00 30.45 C ATOM 1175 C MET A 555 2.084 -23.439 10.645 1.00 21.14 C ATOM 1176 O MET A 555 2.746 -24.347 10.145 1.00 44.34 O ATOM 1177 CB MET A 555 2.356 -22.357 12.884 1.00 4.15 C ATOM 1178 CG MET A 555 2.464 -23.743 13.498 1.00 20.34 C ATOM 1179 SD MET A 555 4.155 -24.368 13.511 1.00 63.13 S ATOM 1180 CE MET A 555 3.893 -26.065 13.002 1.00 30.43 C ATOM 0 H MET A 555 1.929 -20.384 11.470 1.00 23.20 H new ATOM 0 HA MET A 555 3.843 -22.437 11.334 1.00 30.45 H new ATOM 0 HB2 MET A 555 2.984 -21.668 13.449 1.00 4.15 H new ATOM 0 HB3 MET A 555 1.329 -22.005 12.981 1.00 4.15 H new ATOM 0 HG2 MET A 555 2.084 -23.714 14.519 1.00 20.34 H new ATOM 0 HG3 MET A 555 1.830 -24.433 12.941 1.00 20.34 H new ATOM 0 HE1 MET A 555 4.850 -26.585 12.962 1.00 30.43 H new ATOM 0 HE2 MET A 555 3.239 -26.563 13.718 1.00 30.43 H new ATOM 0 HE3 MET A 555 3.430 -26.082 12.015 1.00 30.43 H new ATOM 1190 N ASN A 556 0.759 -23.378 10.560 1.00 61.02 N ATOM 1191 CA ASN A 556 -0.009 -24.399 9.856 1.00 11.33 C ATOM 1192 C ASN A 556 -1.237 -23.790 9.185 1.00 4.34 C ATOM 1193 O ASN A 556 -2.354 -24.277 9.354 1.00 12.52 O ATOM 1194 CB ASN A 556 -0.438 -25.502 10.826 1.00 55.14 C ATOM 1195 CG ASN A 556 -0.680 -26.825 10.125 1.00 33.12 C ATOM 1196 OD1 ASN A 556 0.041 -27.858 10.547 1.00 24.33 O flip ATOM 1197 ND2 ASN A 556 -1.506 -26.917 9.216 1.00 55.35 N flip ATOM 0 H ASN A 556 0.195 -22.633 10.969 1.00 61.02 H new ATOM 0 HA ASN A 556 0.628 -24.830 9.084 1.00 11.33 H new ATOM 0 HB2 ASN A 556 0.331 -25.632 11.587 1.00 55.14 H new ATOM 0 HB3 ASN A 556 -1.348 -25.195 11.342 1.00 55.14 H new ATOM 0 HD21 ASN A 556 -2.037 -26.096 8.925 1.00 55.35 H new ATOM 0 HD22 ASN A 556 -1.659 -27.814 8.754 1.00 55.35 H new ATOM 1204 N MET A 557 -1.019 -22.723 8.424 1.00 55.52 N ATOM 1205 CA MET A 557 -2.108 -22.048 7.726 1.00 61.12 C ATOM 1206 C MET A 557 -2.245 -22.570 6.299 1.00 45.21 C ATOM 1207 O MET A 557 -1.400 -23.328 5.823 1.00 51.00 O ATOM 1208 CB MET A 557 -1.872 -20.537 7.708 1.00 2.41 C ATOM 1209 CG MET A 557 -0.604 -20.128 6.975 1.00 32.05 C ATOM 1210 SD MET A 557 -0.898 -19.748 5.238 1.00 52.14 S ATOM 1211 CE MET A 557 0.226 -20.895 4.445 1.00 21.22 C ATOM 0 H MET A 557 -0.100 -22.307 8.275 1.00 55.52 H new ATOM 0 HA MET A 557 -3.034 -22.257 8.261 1.00 61.12 H new ATOM 0 HB2 MET A 557 -2.726 -20.050 7.238 1.00 2.41 H new ATOM 0 HB3 MET A 557 -1.822 -20.173 8.734 1.00 2.41 H new ATOM 0 HG2 MET A 557 -0.171 -19.256 7.465 1.00 32.05 H new ATOM 0 HG3 MET A 557 0.129 -20.932 7.048 1.00 32.05 H new ATOM 0 HE1 MET A 557 -0.250 -21.317 3.560 1.00 21.22 H new ATOM 0 HE2 MET A 557 1.135 -20.370 4.153 1.00 21.22 H new ATOM 0 HE3 MET A 557 0.477 -21.697 5.139 1.00 21.22 H new ATOM 1221 N GLN A 558 -3.313 -22.159 5.623 1.00 3.10 N ATOM 1222 CA GLN A 558 -3.559 -22.587 4.251 1.00 0.30 C ATOM 1223 C GLN A 558 -4.201 -21.467 3.439 1.00 52.03 C ATOM 1224 O GLN A 558 -5.065 -20.743 3.935 1.00 53.32 O ATOM 1225 CB GLN A 558 -4.457 -23.825 4.234 1.00 41.11 C ATOM 1226 CG GLN A 558 -4.048 -24.887 5.242 1.00 51.11 C ATOM 1227 CD GLN A 558 -2.750 -25.575 4.870 1.00 22.51 C ATOM 1228 OE1 GLN A 558 -2.268 -25.452 3.743 1.00 15.45 O ATOM 1229 NE2 GLN A 558 -2.175 -26.307 5.818 1.00 42.24 N ATOM 0 H GLN A 558 -4.021 -21.531 6.003 1.00 3.10 H new ATOM 0 HA GLN A 558 -2.600 -22.837 3.797 1.00 0.30 H new ATOM 0 HB2 GLN A 558 -5.484 -23.521 4.435 1.00 41.11 H new ATOM 0 HB3 GLN A 558 -4.443 -24.260 3.235 1.00 41.11 H new ATOM 0 HG2 GLN A 558 -3.943 -24.428 6.225 1.00 51.11 H new ATOM 0 HG3 GLN A 558 -4.840 -25.632 5.321 1.00 51.11 H new ATOM 0 HE21 GLN A 558 -2.609 -26.382 6.738 1.00 42.24 H new ATOM 0 HE22 GLN A 558 -1.300 -26.794 5.626 1.00 42.24 H new ATOM 1238 N LEU A 559 -3.774 -21.330 2.188 1.00 1.04 N ATOM 1239 CA LEU A 559 -4.307 -20.298 1.306 1.00 12.44 C ATOM 1240 C LEU A 559 -5.721 -20.646 0.853 1.00 71.24 C ATOM 1241 O LEU A 559 -5.937 -21.651 0.173 1.00 3.22 O ATOM 1242 CB LEU A 559 -3.398 -20.119 0.089 1.00 20.52 C ATOM 1243 CG LEU A 559 -3.789 -19.006 -0.883 1.00 44.11 C ATOM 1244 CD1 LEU A 559 -4.888 -19.478 -1.821 1.00 54.14 C ATOM 1245 CD2 LEU A 559 -4.231 -17.764 -0.122 1.00 65.33 C ATOM 0 H LEU A 559 -3.060 -21.921 1.762 1.00 1.04 H new ATOM 0 HA LEU A 559 -4.344 -19.362 1.864 1.00 12.44 H new ATOM 0 HB2 LEU A 559 -2.385 -19.926 0.442 1.00 20.52 H new ATOM 0 HB3 LEU A 559 -3.370 -21.060 -0.460 1.00 20.52 H new ATOM 0 HG LEU A 559 -2.915 -18.749 -1.481 1.00 44.11 H new ATOM 0 HD11 LEU A 559 -5.153 -18.672 -2.505 1.00 54.14 H new ATOM 0 HD12 LEU A 559 -4.535 -20.337 -2.391 1.00 54.14 H new ATOM 0 HD13 LEU A 559 -5.765 -19.763 -1.240 1.00 54.14 H new ATOM 0 HD21 LEU A 559 -4.506 -16.982 -0.830 1.00 65.33 H new ATOM 0 HD22 LEU A 559 -5.091 -18.007 0.502 1.00 65.33 H new ATOM 0 HD23 LEU A 559 -3.413 -17.413 0.507 1.00 65.33 H new ATOM 1257 N LEU A 560 -6.681 -19.809 1.230 1.00 32.54 N ATOM 1258 CA LEU A 560 -8.075 -20.027 0.860 1.00 34.44 C ATOM 1259 C LEU A 560 -8.554 -18.957 -0.115 1.00 2.43 C ATOM 1260 O LEU A 560 -9.473 -19.184 -0.900 1.00 50.22 O ATOM 1261 CB LEU A 560 -8.960 -20.029 2.108 1.00 33.31 C ATOM 1262 CG LEU A 560 -9.401 -18.658 2.620 1.00 11.44 C ATOM 1263 CD1 LEU A 560 -10.788 -18.314 2.100 1.00 41.33 C ATOM 1264 CD2 LEU A 560 -9.377 -18.623 4.142 1.00 61.44 C ATOM 0 H LEU A 560 -6.520 -18.973 1.792 1.00 32.54 H new ATOM 0 HA LEU A 560 -8.147 -20.998 0.369 1.00 34.44 H new ATOM 0 HB2 LEU A 560 -9.851 -20.619 1.896 1.00 33.31 H new ATOM 0 HB3 LEU A 560 -8.424 -20.538 2.909 1.00 33.31 H new ATOM 0 HG LEU A 560 -8.700 -17.911 2.248 1.00 11.44 H new ATOM 0 HD11 LEU A 560 -11.085 -17.335 2.475 1.00 41.33 H new ATOM 0 HD12 LEU A 560 -10.774 -18.296 1.010 1.00 41.33 H new ATOM 0 HD13 LEU A 560 -11.501 -19.064 2.441 1.00 41.33 H new ATOM 0 HD21 LEU A 560 -9.694 -17.639 4.488 1.00 61.44 H new ATOM 0 HD22 LEU A 560 -10.055 -19.381 4.534 1.00 61.44 H new ATOM 0 HD23 LEU A 560 -8.365 -18.823 4.495 1.00 61.44 H new ATOM 1276 N GLY A 561 -7.922 -17.788 -0.060 1.00 24.13 N ATOM 1277 CA GLY A 561 -8.295 -16.700 -0.945 1.00 32.25 C ATOM 1278 C GLY A 561 -7.636 -16.807 -2.305 1.00 42.02 C ATOM 1279 O GLY A 561 -7.292 -17.902 -2.752 1.00 11.42 O ATOM 0 H GLY A 561 -7.158 -17.575 0.582 1.00 24.13 H new ATOM 0 HA2 GLY A 561 -9.378 -16.692 -1.069 1.00 32.25 H new ATOM 0 HA3 GLY A 561 -8.020 -15.751 -0.485 1.00 32.25 H new ATOM 1283 N ASP A 562 -7.460 -15.668 -2.967 1.00 31.43 N ATOM 1284 CA ASP A 562 -6.838 -15.638 -4.285 1.00 71.43 C ATOM 1285 C ASP A 562 -6.598 -14.202 -4.740 1.00 63.21 C ATOM 1286 O ASP A 562 -7.477 -13.349 -4.625 1.00 2.11 O ATOM 1287 CB ASP A 562 -7.715 -16.369 -5.303 1.00 54.33 C ATOM 1288 CG ASP A 562 -7.204 -17.762 -5.614 1.00 52.33 C ATOM 1289 OD1 ASP A 562 -7.988 -18.725 -5.483 1.00 54.12 O ATOM 1290 OD2 ASP A 562 -6.020 -17.889 -5.990 1.00 11.53 O ATOM 0 H ASP A 562 -7.740 -14.754 -2.612 1.00 31.43 H new ATOM 0 HA ASP A 562 -5.875 -16.144 -4.217 1.00 71.43 H new ATOM 0 HB2 ASP A 562 -8.733 -16.436 -4.919 1.00 54.33 H new ATOM 0 HB3 ASP A 562 -7.759 -15.788 -6.224 1.00 54.33 H new ATOM 1295 N ALA A 563 -5.401 -13.943 -5.256 1.00 43.10 N ATOM 1296 CA ALA A 563 -5.045 -12.611 -5.729 1.00 1.32 C ATOM 1297 C ALA A 563 -6.098 -12.070 -6.689 1.00 54.34 C ATOM 1298 O ALA A 563 -6.311 -12.625 -7.767 1.00 14.31 O ATOM 1299 CB ALA A 563 -3.679 -12.636 -6.399 1.00 54.15 C ATOM 0 H ALA A 563 -4.661 -14.638 -5.357 1.00 43.10 H new ATOM 0 HA ALA A 563 -5.002 -11.946 -4.867 1.00 1.32 H new ATOM 0 HB1 ALA A 563 -3.426 -11.635 -6.747 1.00 54.15 H new ATOM 0 HB2 ALA A 563 -2.929 -12.971 -5.683 1.00 54.15 H new ATOM 0 HB3 ALA A 563 -3.702 -13.320 -7.247 1.00 54.15 H new ATOM 1305 N GLN A 564 -6.754 -10.984 -6.291 1.00 72.41 N ATOM 1306 CA GLN A 564 -7.787 -10.370 -7.117 1.00 63.13 C ATOM 1307 C GLN A 564 -7.230 -9.977 -8.481 1.00 44.44 C ATOM 1308 O GLN A 564 -7.618 -10.536 -9.507 1.00 73.15 O ATOM 1309 CB GLN A 564 -8.366 -9.141 -6.416 1.00 13.51 C ATOM 1310 CG GLN A 564 -9.712 -9.394 -5.756 1.00 73.45 C ATOM 1311 CD GLN A 564 -10.744 -9.937 -6.726 1.00 11.32 C ATOM 1312 OE1 GLN A 564 -10.767 -9.563 -7.899 1.00 32.31 O ATOM 1313 NE2 GLN A 564 -11.605 -10.823 -6.240 1.00 31.03 N ATOM 0 H GLN A 564 -6.588 -10.512 -5.402 1.00 72.41 H new ATOM 0 HA GLN A 564 -8.581 -11.102 -7.266 1.00 63.13 H new ATOM 0 HB2 GLN A 564 -7.659 -8.797 -5.661 1.00 13.51 H new ATOM 0 HB3 GLN A 564 -8.473 -8.335 -7.142 1.00 13.51 H new ATOM 0 HG2 GLN A 564 -9.583 -10.100 -4.935 1.00 73.45 H new ATOM 0 HG3 GLN A 564 -10.080 -8.464 -5.322 1.00 73.45 H new ATOM 0 HE21 GLN A 564 -11.549 -11.104 -5.261 1.00 31.03 H new ATOM 0 HE22 GLN A 564 -12.322 -11.222 -6.845 1.00 31.03 H new TER 1322 GLN A 564