USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 575 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 28 ASN : amide:sc= -2.32 K(o=-4.6,f=-6.6) USER MOD Set 1.2: A 37 MET CE :methyl 129:sc= -2.29 (180deg=-0.832) USER MOD Set 2.1: A 10 ASN :FLIP amide:sc= -1.49 F(o=-2.4!,f=-1.4) USER MOD Set 2.2: A 11 THR OG1 : rot 52:sc= 0.126 USER MOD Single : A 9 SER OG : rot 101:sc= 0.561 USER MOD Single : A 23 GLN : amide:sc= -0.988 K(o=-0.99,f=-6.2!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot -74:sc= 0.312 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc=-0.00741 X(o=-0.0074,f=-0.14) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 78 TYR OH : rot 30:sc= -0.351 USER MOD Single : A 79 SER OG : rot 170:sc= -2.71 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 7 8.536 -8.424 -0.004 1.00 0.00 N ATOM 2 CA GLU A 7 8.554 -8.772 1.412 1.00 0.00 C ATOM 3 C GLU A 7 9.219 -10.128 1.630 1.00 0.00 C ATOM 4 O GLU A 7 10.182 -10.244 2.389 1.00 0.00 O ATOM 5 CB GLU A 7 7.131 -8.793 1.973 1.00 0.00 C ATOM 6 CG GLU A 7 6.525 -7.411 2.149 1.00 0.00 C ATOM 7 CD GLU A 7 5.526 -7.353 3.288 1.00 0.00 C ATOM 8 OE1 GLU A 7 4.638 -8.230 3.343 1.00 0.00 O ATOM 9 OE2 GLU A 7 5.630 -6.431 4.124 1.00 0.00 O ATOM 0 HA GLU A 7 9.133 -8.014 1.939 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.496 -9.377 1.307 1.00 0.00 H new ATOM 0 HB3 GLU A 7 7.137 -9.303 2.936 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.321 -6.690 2.332 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.032 -7.114 1.223 1.00 0.00 H new ATOM 16 N LEU A 8 8.699 -11.150 0.961 1.00 0.00 N ATOM 17 CA LEU A 8 9.241 -12.499 1.082 1.00 0.00 C ATOM 18 C LEU A 8 10.715 -12.530 0.692 1.00 0.00 C ATOM 19 O LEU A 8 11.252 -11.551 0.175 1.00 0.00 O ATOM 20 CB LEU A 8 8.449 -13.469 0.203 1.00 0.00 C ATOM 21 CG LEU A 8 8.278 -13.061 -1.261 1.00 0.00 C ATOM 22 CD1 LEU A 8 9.517 -13.423 -2.065 1.00 0.00 C ATOM 23 CD2 LEU A 8 7.042 -13.720 -1.857 1.00 0.00 C ATOM 0 H LEU A 8 7.902 -11.071 0.329 1.00 0.00 H new ATOM 0 HA LEU A 8 9.153 -12.807 2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.942 -14.441 0.233 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.459 -13.600 0.641 1.00 0.00 H new ATOM 0 HG LEU A 8 8.146 -11.980 -1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.376 -13.125 -3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.383 -12.904 -1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.681 -14.499 -2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.936 -13.419 -2.899 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.145 -14.804 -1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.159 -13.410 -1.298 1.00 0.00 H new ATOM 35 N SER A 9 11.364 -13.663 0.942 1.00 0.00 N ATOM 36 CA SER A 9 12.777 -13.822 0.620 1.00 0.00 C ATOM 37 C SER A 9 12.959 -14.724 -0.597 1.00 0.00 C ATOM 38 O SER A 9 12.003 -15.327 -1.084 1.00 0.00 O ATOM 39 CB SER A 9 13.534 -14.402 1.816 1.00 0.00 C ATOM 40 OG SER A 9 13.976 -13.375 2.687 1.00 0.00 O ATOM 0 H SER A 9 10.933 -14.484 1.367 1.00 0.00 H new ATOM 0 HA SER A 9 13.183 -12.838 0.386 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.888 -15.091 2.360 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.390 -14.978 1.464 1.00 0.00 H new ATOM 0 HG SER A 9 13.374 -13.318 3.458 1.00 0.00 H new ATOM 46 N ASN A 10 14.193 -14.810 -1.083 1.00 0.00 N ATOM 47 CA ASN A 10 14.501 -15.638 -2.244 1.00 0.00 C ATOM 48 C ASN A 10 14.781 -17.078 -1.826 1.00 0.00 C ATOM 49 O ASN A 10 14.427 -18.022 -2.533 1.00 0.00 O ATOM 50 CB ASN A 10 15.706 -15.070 -2.996 1.00 0.00 C ATOM 51 CG ASN A 10 17.023 -15.599 -2.462 1.00 0.00 C ATOM 52 OD1 ASN A 10 17.612 -16.551 -3.176 1.00 0.00 O flip ATOM 53 ND2 ASN A 10 17.505 -15.156 -1.419 1.00 0.00 N flip ATOM 0 H ASN A 10 14.996 -14.317 -0.691 1.00 0.00 H new ATOM 0 HA ASN A 10 13.633 -15.632 -2.904 1.00 0.00 H new ATOM 0 HB2 ASN A 10 15.620 -15.318 -4.054 1.00 0.00 H new ATOM 0 HB3 ASN A 10 15.698 -13.983 -2.922 1.00 0.00 H new ATOM 0 HD21 ASN A 10 17.017 -14.424 -0.903 1.00 0.00 H new ATOM 0 HD22 ASN A 10 18.392 -15.521 -1.072 1.00 0.00 H new ATOM 60 N THR A 11 15.420 -17.240 -0.671 1.00 0.00 N ATOM 61 CA THR A 11 15.748 -18.564 -0.159 1.00 0.00 C ATOM 62 C THR A 11 15.614 -18.615 1.359 1.00 0.00 C ATOM 63 O THR A 11 16.563 -18.321 2.086 1.00 0.00 O ATOM 64 CB THR A 11 17.179 -18.979 -0.550 1.00 0.00 C ATOM 65 OG1 THR A 11 18.081 -17.888 -0.337 1.00 0.00 O ATOM 66 CG2 THR A 11 17.237 -19.415 -2.007 1.00 0.00 C ATOM 0 H THR A 11 15.720 -16.470 -0.073 1.00 0.00 H new ATOM 0 HA THR A 11 15.040 -19.261 -0.608 1.00 0.00 H new ATOM 0 HB THR A 11 17.474 -19.821 0.077 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.971 -17.546 0.575 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.257 -19.703 -2.260 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.571 -20.265 -2.159 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.924 -18.590 -2.646 1.00 0.00 H new ATOM 74 N ARG A 12 14.430 -18.991 1.831 1.00 0.00 N ATOM 75 CA ARG A 12 14.172 -19.080 3.263 1.00 0.00 C ATOM 76 C ARG A 12 12.739 -19.534 3.530 1.00 0.00 C ATOM 77 O ARG A 12 11.782 -18.895 3.092 1.00 0.00 O ATOM 78 CB ARG A 12 14.422 -17.728 3.933 1.00 0.00 C ATOM 79 CG ARG A 12 15.255 -17.822 5.202 1.00 0.00 C ATOM 80 CD ARG A 12 15.241 -16.512 5.975 1.00 0.00 C ATOM 81 NE ARG A 12 15.419 -16.722 7.409 1.00 0.00 N ATOM 82 CZ ARG A 12 16.587 -17.017 7.970 1.00 0.00 C ATOM 83 NH1 ARG A 12 17.674 -17.136 7.220 1.00 0.00 N ATOM 84 NH2 ARG A 12 16.668 -17.193 9.282 1.00 0.00 N ATOM 0 H ARG A 12 13.634 -19.239 1.243 1.00 0.00 H new ATOM 0 HA ARG A 12 14.854 -19.819 3.684 1.00 0.00 H new ATOM 0 HB2 ARG A 12 14.926 -17.069 3.226 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.463 -17.267 4.171 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.869 -18.623 5.833 1.00 0.00 H new ATOM 0 HG3 ARG A 12 16.282 -18.084 4.946 1.00 0.00 H new ATOM 0 HD2 ARG A 12 16.033 -15.863 5.602 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.297 -15.997 5.798 1.00 0.00 H new ATOM 0 HE ARG A 12 14.602 -16.638 8.013 1.00 0.00 H new ATOM 0 HH11 ARG A 12 17.615 -17.001 6.211 1.00 0.00 H new ATOM 0 HH12 ARG A 12 18.570 -17.362 7.652 1.00 0.00 H new ATOM 0 HH21 ARG A 12 15.833 -17.102 9.861 1.00 0.00 H new ATOM 0 HH22 ARG A 12 17.565 -17.419 9.712 1.00 0.00 H new ATOM 98 N LEU A 13 12.600 -20.641 4.252 1.00 0.00 N ATOM 99 CA LEU A 13 11.285 -21.182 4.577 1.00 0.00 C ATOM 100 C LEU A 13 11.126 -21.357 6.084 1.00 0.00 C ATOM 101 O LEU A 13 11.898 -22.074 6.721 1.00 0.00 O ATOM 102 CB LEU A 13 11.074 -22.523 3.871 1.00 0.00 C ATOM 103 CG LEU A 13 11.829 -22.715 2.556 1.00 0.00 C ATOM 104 CD1 LEU A 13 11.505 -24.070 1.947 1.00 0.00 C ATOM 105 CD2 LEU A 13 11.495 -21.596 1.581 1.00 0.00 C ATOM 0 H LEU A 13 13.382 -21.181 4.623 1.00 0.00 H new ATOM 0 HA LEU A 13 10.532 -20.474 4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.366 -23.320 4.554 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.008 -22.645 3.676 1.00 0.00 H new ATOM 0 HG LEU A 13 12.898 -22.680 2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.052 -24.189 1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.796 -24.859 2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.434 -24.135 1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.042 -21.749 0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.424 -21.598 1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.780 -20.638 2.016 1.00 0.00 H new ATOM 117 N PHE A 14 10.119 -20.699 6.648 1.00 0.00 N ATOM 118 CA PHE A 14 9.858 -20.783 8.080 1.00 0.00 C ATOM 119 C PHE A 14 8.834 -21.873 8.383 1.00 0.00 C ATOM 120 O PHE A 14 7.704 -21.832 7.897 1.00 0.00 O ATOM 121 CB PHE A 14 9.358 -19.437 8.609 1.00 0.00 C ATOM 122 CG PHE A 14 8.517 -19.554 9.848 1.00 0.00 C ATOM 123 CD1 PHE A 14 9.072 -19.995 11.038 1.00 0.00 C ATOM 124 CD2 PHE A 14 7.172 -19.223 9.822 1.00 0.00 C ATOM 125 CE1 PHE A 14 8.302 -20.103 12.181 1.00 0.00 C ATOM 126 CE2 PHE A 14 6.396 -19.329 10.961 1.00 0.00 C ATOM 127 CZ PHE A 14 6.962 -19.771 12.142 1.00 0.00 C ATOM 0 H PHE A 14 9.470 -20.102 6.135 1.00 0.00 H new ATOM 0 HA PHE A 14 10.793 -21.037 8.580 1.00 0.00 H new ATOM 0 HB2 PHE A 14 10.215 -18.798 8.821 1.00 0.00 H new ATOM 0 HB3 PHE A 14 8.777 -18.943 7.830 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.119 -20.258 11.073 1.00 0.00 H new ATOM 0 HD2 PHE A 14 6.725 -18.878 8.901 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.748 -20.446 13.103 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.349 -19.067 10.928 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.357 -19.857 13.033 1.00 0.00 H new ATOM 137 N VAL A 15 9.238 -22.848 9.191 1.00 0.00 N ATOM 138 CA VAL A 15 8.357 -23.950 9.560 1.00 0.00 C ATOM 139 C VAL A 15 7.791 -23.754 10.962 1.00 0.00 C ATOM 140 O VAL A 15 8.292 -22.939 11.737 1.00 0.00 O ATOM 141 CB VAL A 15 9.093 -25.302 9.500 1.00 0.00 C ATOM 142 CG1 VAL A 15 8.100 -26.443 9.338 1.00 0.00 C ATOM 143 CG2 VAL A 15 10.110 -25.304 8.369 1.00 0.00 C ATOM 0 H VAL A 15 10.170 -22.897 9.603 1.00 0.00 H new ATOM 0 HA VAL A 15 7.540 -23.958 8.838 1.00 0.00 H new ATOM 0 HB VAL A 15 9.627 -25.448 10.439 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.638 -27.390 9.297 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.414 -26.451 10.185 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.536 -26.306 8.415 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.621 -26.266 8.341 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.600 -25.136 7.421 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.839 -24.511 8.534 1.00 0.00 H new ATOM 153 N ARG A 16 6.743 -24.508 11.281 1.00 0.00 N ATOM 154 CA ARG A 16 6.108 -24.417 12.590 1.00 0.00 C ATOM 155 C ARG A 16 6.966 -25.087 13.659 1.00 0.00 C ATOM 156 O ARG A 16 7.921 -25.805 13.363 1.00 0.00 O ATOM 157 CB ARG A 16 4.722 -25.063 12.554 1.00 0.00 C ATOM 158 CG ARG A 16 3.594 -24.073 12.315 1.00 0.00 C ATOM 159 CD ARG A 16 2.527 -24.173 13.394 1.00 0.00 C ATOM 160 NE ARG A 16 2.548 -23.022 14.292 1.00 0.00 N ATOM 161 CZ ARG A 16 1.673 -22.840 15.275 1.00 0.00 C ATOM 162 NH1 ARG A 16 0.713 -23.730 15.485 1.00 0.00 N ATOM 163 NH2 ARG A 16 1.758 -21.767 16.051 1.00 0.00 N ATOM 0 H ARG A 16 6.317 -25.188 10.651 1.00 0.00 H new ATOM 0 HA ARG A 16 6.003 -23.362 12.842 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.703 -25.819 11.769 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.547 -25.580 13.498 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.996 -23.060 12.292 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.145 -24.260 11.339 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.545 -24.251 12.927 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.679 -25.086 13.971 1.00 0.00 H new ATOM 0 HE ARG A 16 3.275 -22.319 14.157 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.645 -24.557 14.891 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.042 -23.588 16.240 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.496 -21.081 15.893 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.086 -21.629 16.805 1.00 0.00 H new ATOM 177 N PRO A 17 6.619 -24.849 14.933 1.00 0.00 N ATOM 178 CA PRO A 17 7.344 -25.420 16.071 1.00 0.00 C ATOM 179 C PRO A 17 7.137 -26.926 16.194 1.00 0.00 C ATOM 180 O PRO A 17 6.007 -27.399 16.315 1.00 0.00 O ATOM 181 CB PRO A 17 6.739 -24.697 17.277 1.00 0.00 C ATOM 182 CG PRO A 17 5.376 -24.292 16.830 1.00 0.00 C ATOM 183 CD PRO A 17 5.491 -24.003 15.359 1.00 0.00 C ATOM 0 HA PRO A 17 8.422 -25.288 15.975 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.692 -25.351 18.148 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.337 -23.831 17.560 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.652 -25.086 17.016 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.032 -23.413 17.375 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.574 -24.257 14.827 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.687 -22.947 15.171 1.00 0.00 H new ATOM 191 N PHE A 18 8.235 -27.674 16.163 1.00 0.00 N ATOM 192 CA PHE A 18 8.173 -29.127 16.270 1.00 0.00 C ATOM 193 C PHE A 18 8.334 -29.573 17.721 1.00 0.00 C ATOM 194 O PHE A 18 8.858 -28.846 18.565 1.00 0.00 O ATOM 195 CB PHE A 18 9.258 -29.770 15.404 1.00 0.00 C ATOM 196 CG PHE A 18 9.086 -29.508 13.935 1.00 0.00 C ATOM 197 CD1 PHE A 18 9.542 -28.328 13.371 1.00 0.00 C ATOM 198 CD2 PHE A 18 8.469 -30.442 13.119 1.00 0.00 C ATOM 199 CE1 PHE A 18 9.385 -28.084 12.019 1.00 0.00 C ATOM 200 CE2 PHE A 18 8.309 -30.204 11.767 1.00 0.00 C ATOM 201 CZ PHE A 18 8.768 -29.023 11.216 1.00 0.00 C ATOM 0 H PHE A 18 9.178 -27.298 16.065 1.00 0.00 H new ATOM 0 HA PHE A 18 7.195 -29.451 15.915 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.232 -29.397 15.720 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.258 -30.846 15.575 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.026 -27.590 13.994 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.109 -31.367 13.544 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.745 -27.160 11.591 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.826 -30.940 11.142 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.645 -28.835 10.160 1.00 0.00 H new ATOM 211 N PRO A 19 7.872 -30.796 18.018 1.00 0.00 N ATOM 212 CA PRO A 19 7.953 -31.367 19.366 1.00 0.00 C ATOM 213 C PRO A 19 9.385 -31.703 19.768 1.00 0.00 C ATOM 214 O PRO A 19 10.341 -31.193 19.182 1.00 0.00 O ATOM 215 CB PRO A 19 7.113 -32.643 19.261 1.00 0.00 C ATOM 216 CG PRO A 19 7.165 -33.014 17.819 1.00 0.00 C ATOM 217 CD PRO A 19 7.236 -31.717 17.061 1.00 0.00 C ATOM 0 HA PRO A 19 7.601 -30.670 20.126 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.519 -33.437 19.889 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.088 -32.470 19.588 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.033 -33.638 17.607 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.283 -33.587 17.531 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.824 -31.817 16.148 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.246 -31.369 16.766 1.00 0.00 H new ATOM 225 N LEU A 20 9.526 -32.563 20.771 1.00 0.00 N ATOM 226 CA LEU A 20 10.843 -32.967 21.252 1.00 0.00 C ATOM 227 C LEU A 20 11.711 -33.471 20.103 1.00 0.00 C ATOM 228 O LEU A 20 12.937 -33.499 20.205 1.00 0.00 O ATOM 229 CB LEU A 20 10.706 -34.055 22.318 1.00 0.00 C ATOM 230 CG LEU A 20 9.885 -35.283 21.922 1.00 0.00 C ATOM 231 CD1 LEU A 20 10.790 -36.376 21.373 1.00 0.00 C ATOM 232 CD2 LEU A 20 9.086 -35.797 23.111 1.00 0.00 C ATOM 0 H LEU A 20 8.745 -32.994 21.267 1.00 0.00 H new ATOM 0 HA LEU A 20 11.326 -32.094 21.692 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.705 -34.386 22.601 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.254 -33.611 23.205 1.00 0.00 H new ATOM 0 HG LEU A 20 9.185 -34.991 21.139 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.188 -37.242 21.097 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.317 -36.005 20.494 1.00 0.00 H new ATOM 0 HD13 LEU A 20 11.514 -36.666 22.135 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.508 -36.671 22.811 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.768 -36.072 23.916 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.409 -35.017 23.459 1.00 0.00 H new ATOM 244 N ASP A 21 11.066 -33.867 19.011 1.00 0.00 N ATOM 245 CA ASP A 21 11.779 -34.367 17.841 1.00 0.00 C ATOM 246 C ASP A 21 12.164 -33.222 16.909 1.00 0.00 C ATOM 247 O ASP A 21 12.392 -33.428 15.717 1.00 0.00 O ATOM 248 CB ASP A 21 10.920 -35.385 17.090 1.00 0.00 C ATOM 249 CG ASP A 21 10.889 -36.736 17.779 1.00 0.00 C ATOM 250 OD1 ASP A 21 11.947 -37.170 18.280 1.00 0.00 O ATOM 251 OD2 ASP A 21 9.807 -37.358 17.815 1.00 0.00 O ATOM 0 H ASP A 21 10.051 -33.851 18.912 1.00 0.00 H new ATOM 0 HA ASP A 21 12.691 -34.856 18.184 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.903 -35.003 17.000 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.306 -35.505 16.078 1.00 0.00 H new ATOM 256 N VAL A 22 12.235 -32.014 17.461 1.00 0.00 N ATOM 257 CA VAL A 22 12.592 -30.837 16.679 1.00 0.00 C ATOM 258 C VAL A 22 14.093 -30.786 16.417 1.00 0.00 C ATOM 259 O VAL A 22 14.855 -30.249 17.221 1.00 0.00 O ATOM 260 CB VAL A 22 12.162 -29.540 17.390 1.00 0.00 C ATOM 261 CG1 VAL A 22 12.692 -29.511 18.815 1.00 0.00 C ATOM 262 CG2 VAL A 22 12.637 -28.323 16.611 1.00 0.00 C ATOM 0 H VAL A 22 12.050 -31.826 18.446 1.00 0.00 H new ATOM 0 HA VAL A 22 12.063 -30.915 15.729 1.00 0.00 H new ATOM 0 HB VAL A 22 11.073 -29.514 17.432 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.378 -28.587 19.301 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.298 -30.364 19.367 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.781 -29.561 18.799 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.324 -27.416 17.128 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.724 -28.341 16.535 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.203 -28.339 15.611 1.00 0.00 H new ATOM 272 N GLN A 23 14.510 -31.348 15.287 1.00 0.00 N ATOM 273 CA GLN A 23 15.921 -31.366 14.919 1.00 0.00 C ATOM 274 C GLN A 23 16.088 -31.362 13.403 1.00 0.00 C ATOM 275 O GLN A 23 15.194 -31.783 12.670 1.00 0.00 O ATOM 276 CB GLN A 23 16.609 -32.594 15.517 1.00 0.00 C ATOM 277 CG GLN A 23 15.948 -33.909 15.136 1.00 0.00 C ATOM 278 CD GLN A 23 16.592 -35.103 15.811 1.00 0.00 C ATOM 279 OE1 GLN A 23 16.888 -36.110 15.166 1.00 0.00 O ATOM 280 NE2 GLN A 23 16.813 -34.998 17.116 1.00 0.00 N ATOM 0 H GLN A 23 13.892 -31.796 14.611 1.00 0.00 H new ATOM 0 HA GLN A 23 16.387 -30.466 15.320 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.649 -32.612 15.191 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.617 -32.502 16.603 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.892 -33.871 15.403 1.00 0.00 H new ATOM 0 HG3 GLN A 23 15.999 -34.037 14.055 1.00 0.00 H new ATOM 0 HE21 GLN A 23 16.552 -34.145 17.610 1.00 0.00 H new ATOM 0 HE22 GLN A 23 17.244 -35.770 17.624 1.00 0.00 H new ATOM 289 N GLU A 24 17.239 -30.885 12.941 1.00 0.00 N ATOM 290 CA GLU A 24 17.522 -30.826 11.512 1.00 0.00 C ATOM 291 C GLU A 24 17.329 -32.193 10.862 1.00 0.00 C ATOM 292 O GLU A 24 17.142 -32.295 9.649 1.00 0.00 O ATOM 293 CB GLU A 24 18.951 -30.333 11.272 1.00 0.00 C ATOM 294 CG GLU A 24 20.017 -31.330 11.693 1.00 0.00 C ATOM 295 CD GLU A 24 21.399 -30.952 11.194 1.00 0.00 C ATOM 296 OE1 GLU A 24 21.862 -29.839 11.520 1.00 0.00 O ATOM 297 OE2 GLU A 24 22.016 -31.768 10.479 1.00 0.00 O ATOM 0 H GLU A 24 17.990 -30.534 13.535 1.00 0.00 H new ATOM 0 HA GLU A 24 16.822 -30.125 11.058 1.00 0.00 H new ATOM 0 HB2 GLU A 24 19.075 -30.106 10.213 1.00 0.00 H new ATOM 0 HB3 GLU A 24 19.101 -29.401 11.817 1.00 0.00 H new ATOM 0 HG2 GLU A 24 20.034 -31.400 12.781 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.755 -32.318 11.314 1.00 0.00 H new ATOM 304 N SER A 25 17.375 -33.241 11.678 1.00 0.00 N ATOM 305 CA SER A 25 17.209 -34.603 11.183 1.00 0.00 C ATOM 306 C SER A 25 15.889 -34.751 10.431 1.00 0.00 C ATOM 307 O SER A 25 15.860 -35.220 9.294 1.00 0.00 O ATOM 308 CB SER A 25 17.263 -35.600 12.342 1.00 0.00 C ATOM 309 OG SER A 25 17.576 -36.903 11.880 1.00 0.00 O ATOM 0 H SER A 25 17.526 -33.173 12.685 1.00 0.00 H new ATOM 0 HA SER A 25 18.026 -34.814 10.493 1.00 0.00 H new ATOM 0 HB2 SER A 25 18.010 -35.279 13.068 1.00 0.00 H new ATOM 0 HB3 SER A 25 16.303 -35.615 12.858 1.00 0.00 H new ATOM 0 HG SER A 25 17.606 -37.521 12.640 1.00 0.00 H new ATOM 315 N GLU A 26 14.800 -34.348 11.077 1.00 0.00 N ATOM 316 CA GLU A 26 13.477 -34.436 10.470 1.00 0.00 C ATOM 317 C GLU A 26 13.326 -33.419 9.342 1.00 0.00 C ATOM 318 O GLU A 26 12.763 -33.722 8.289 1.00 0.00 O ATOM 319 CB GLU A 26 12.391 -34.209 11.525 1.00 0.00 C ATOM 320 CG GLU A 26 12.647 -33.001 12.410 1.00 0.00 C ATOM 321 CD GLU A 26 11.436 -32.620 13.241 1.00 0.00 C ATOM 322 OE1 GLU A 26 10.739 -33.535 13.726 1.00 0.00 O ATOM 323 OE2 GLU A 26 11.186 -31.408 13.405 1.00 0.00 O ATOM 0 H GLU A 26 14.807 -33.958 12.019 1.00 0.00 H new ATOM 0 HA GLU A 26 13.364 -35.436 10.051 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.430 -34.086 11.025 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.313 -35.098 12.151 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.486 -33.212 13.073 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.937 -32.154 11.788 1.00 0.00 H new ATOM 330 N LEU A 27 13.833 -32.213 9.570 1.00 0.00 N ATOM 331 CA LEU A 27 13.755 -31.149 8.574 1.00 0.00 C ATOM 332 C LEU A 27 14.558 -31.510 7.329 1.00 0.00 C ATOM 333 O LEU A 27 14.236 -31.077 6.224 1.00 0.00 O ATOM 334 CB LEU A 27 14.269 -29.834 9.163 1.00 0.00 C ATOM 335 CG LEU A 27 13.406 -29.207 10.259 1.00 0.00 C ATOM 336 CD1 LEU A 27 14.074 -29.361 11.616 1.00 0.00 C ATOM 337 CD2 LEU A 27 13.142 -27.739 9.955 1.00 0.00 C ATOM 0 H LEU A 27 14.303 -31.947 10.435 1.00 0.00 H new ATOM 0 HA LEU A 27 12.710 -31.028 8.288 1.00 0.00 H new ATOM 0 HB2 LEU A 27 15.267 -30.006 9.567 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.373 -29.112 8.353 1.00 0.00 H new ATOM 0 HG LEU A 27 12.450 -29.729 10.286 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.446 -28.909 12.384 1.00 0.00 H new ATOM 0 HD12 LEU A 27 14.211 -30.420 11.836 1.00 0.00 H new ATOM 0 HD13 LEU A 27 15.044 -28.865 11.602 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.527 -27.309 10.745 1.00 0.00 H new ATOM 0 HD22 LEU A 27 14.089 -27.203 9.900 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.621 -27.653 9.002 1.00 0.00 H new ATOM 349 N ASN A 28 15.604 -32.309 7.516 1.00 0.00 N ATOM 350 CA ASN A 28 16.452 -32.730 6.407 1.00 0.00 C ATOM 351 C ASN A 28 15.798 -33.863 5.621 1.00 0.00 C ATOM 352 O ASN A 28 15.810 -33.865 4.391 1.00 0.00 O ATOM 353 CB ASN A 28 17.820 -33.178 6.925 1.00 0.00 C ATOM 354 CG ASN A 28 18.823 -32.041 6.965 1.00 0.00 C ATOM 355 OD1 ASN A 28 19.882 -32.111 6.341 1.00 0.00 O ATOM 356 ND2 ASN A 28 18.494 -30.987 7.703 1.00 0.00 N ATOM 0 H ASN A 28 15.884 -32.678 8.425 1.00 0.00 H new ATOM 0 HA ASN A 28 16.584 -31.878 5.740 1.00 0.00 H new ATOM 0 HB2 ASN A 28 17.708 -33.595 7.926 1.00 0.00 H new ATOM 0 HB3 ASN A 28 18.204 -33.975 6.288 1.00 0.00 H new ATOM 0 HD21 ASN A 28 19.130 -30.192 7.769 1.00 0.00 H new ATOM 0 HD22 ASN A 28 17.605 -30.972 8.203 1.00 0.00 H new ATOM 363 N GLU A 29 15.227 -34.823 6.342 1.00 0.00 N ATOM 364 CA GLU A 29 14.568 -35.961 5.712 1.00 0.00 C ATOM 365 C GLU A 29 13.243 -35.542 5.081 1.00 0.00 C ATOM 366 O GLU A 29 12.720 -36.225 4.200 1.00 0.00 O ATOM 367 CB GLU A 29 14.329 -37.072 6.737 1.00 0.00 C ATOM 368 CG GLU A 29 13.130 -36.822 7.636 1.00 0.00 C ATOM 369 CD GLU A 29 12.907 -37.941 8.635 1.00 0.00 C ATOM 370 OE1 GLU A 29 13.902 -38.560 9.065 1.00 0.00 O ATOM 371 OE2 GLU A 29 11.736 -38.197 8.987 1.00 0.00 O ATOM 0 H GLU A 29 15.208 -34.835 7.362 1.00 0.00 H new ATOM 0 HA GLU A 29 15.222 -36.337 4.925 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.188 -38.016 6.211 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.220 -37.182 7.356 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.272 -35.884 8.173 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.238 -36.706 7.021 1.00 0.00 H new ATOM 378 N ILE A 30 12.707 -34.416 5.540 1.00 0.00 N ATOM 379 CA ILE A 30 11.444 -33.906 5.021 1.00 0.00 C ATOM 380 C ILE A 30 11.673 -32.980 3.831 1.00 0.00 C ATOM 381 O ILE A 30 11.082 -33.161 2.766 1.00 0.00 O ATOM 382 CB ILE A 30 10.655 -33.147 6.104 1.00 0.00 C ATOM 383 CG1 ILE A 30 10.162 -34.116 7.180 1.00 0.00 C ATOM 384 CG2 ILE A 30 9.487 -32.398 5.482 1.00 0.00 C ATOM 385 CD1 ILE A 30 9.822 -33.442 8.491 1.00 0.00 C ATOM 0 H ILE A 30 13.127 -33.840 6.269 1.00 0.00 H new ATOM 0 HA ILE A 30 10.863 -34.770 4.699 1.00 0.00 H new ATOM 0 HB ILE A 30 11.318 -32.420 6.573 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.280 -34.639 6.810 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.929 -34.870 7.357 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.939 -31.867 6.260 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.862 -31.683 4.750 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.821 -33.107 4.989 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.480 -34.190 9.206 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.708 -32.943 8.884 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.033 -32.707 8.329 1.00 0.00 H new ATOM 397 N PHE A 31 12.535 -31.986 4.019 1.00 0.00 N ATOM 398 CA PHE A 31 12.844 -31.031 2.962 1.00 0.00 C ATOM 399 C PHE A 31 13.939 -31.569 2.045 1.00 0.00 C ATOM 400 O PHE A 31 14.299 -30.937 1.053 1.00 0.00 O ATOM 401 CB PHE A 31 13.279 -29.694 3.564 1.00 0.00 C ATOM 402 CG PHE A 31 12.168 -28.959 4.259 1.00 0.00 C ATOM 403 CD1 PHE A 31 11.640 -29.438 5.447 1.00 0.00 C ATOM 404 CD2 PHE A 31 11.652 -27.790 3.723 1.00 0.00 C ATOM 405 CE1 PHE A 31 10.618 -28.764 6.088 1.00 0.00 C ATOM 406 CE2 PHE A 31 10.629 -27.112 4.360 1.00 0.00 C ATOM 407 CZ PHE A 31 10.112 -27.599 5.544 1.00 0.00 C ATOM 0 H PHE A 31 13.032 -31.821 4.894 1.00 0.00 H new ATOM 0 HA PHE A 31 11.941 -30.878 2.370 1.00 0.00 H new ATOM 0 HB2 PHE A 31 14.087 -29.870 4.274 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.682 -29.062 2.772 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.031 -30.348 5.877 1.00 0.00 H new ATOM 0 HD2 PHE A 31 12.053 -27.404 2.798 1.00 0.00 H new ATOM 0 HE1 PHE A 31 10.215 -29.148 7.014 1.00 0.00 H new ATOM 0 HE2 PHE A 31 10.235 -26.202 3.932 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.314 -27.070 6.044 1.00 0.00 H new ATOM 417 N GLY A 32 14.464 -32.742 2.386 1.00 0.00 N ATOM 418 CA GLY A 32 15.513 -33.346 1.585 1.00 0.00 C ATOM 419 C GLY A 32 15.128 -33.470 0.124 1.00 0.00 C ATOM 420 O GLY A 32 15.783 -32.921 -0.762 1.00 0.00 O ATOM 0 H GLY A 32 14.182 -33.285 3.202 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.420 -32.748 1.669 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.745 -34.334 1.982 1.00 0.00 H new ATOM 424 N PRO A 33 14.041 -34.209 -0.145 1.00 0.00 N ATOM 425 CA PRO A 33 13.546 -34.423 -1.508 1.00 0.00 C ATOM 426 C PRO A 33 12.954 -33.155 -2.115 1.00 0.00 C ATOM 427 O PRO A 33 11.776 -33.116 -2.469 1.00 0.00 O ATOM 428 CB PRO A 33 12.461 -35.487 -1.329 1.00 0.00 C ATOM 429 CG PRO A 33 12.003 -35.328 0.080 1.00 0.00 C ATOM 430 CD PRO A 33 13.212 -34.893 0.862 1.00 0.00 C ATOM 0 HA PRO A 33 14.344 -34.719 -2.189 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.641 -35.338 -2.031 1.00 0.00 H new ATOM 0 HB3 PRO A 33 12.855 -36.488 -1.507 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.206 -34.588 0.150 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.603 -36.265 0.468 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.942 -34.226 1.681 1.00 0.00 H new ATOM 0 HD3 PRO A 33 13.734 -35.743 1.302 1.00 0.00 H new ATOM 438 N PHE A 34 13.779 -32.120 -2.233 1.00 0.00 N ATOM 439 CA PHE A 34 13.337 -30.850 -2.797 1.00 0.00 C ATOM 440 C PHE A 34 14.493 -30.126 -3.480 1.00 0.00 C ATOM 441 O PHE A 34 14.334 -29.562 -4.562 1.00 0.00 O ATOM 442 CB PHE A 34 12.740 -29.962 -1.702 1.00 0.00 C ATOM 443 CG PHE A 34 11.321 -30.310 -1.356 1.00 0.00 C ATOM 444 CD1 PHE A 34 10.404 -30.607 -2.351 1.00 0.00 C ATOM 445 CD2 PHE A 34 10.904 -30.340 -0.035 1.00 0.00 C ATOM 446 CE1 PHE A 34 9.097 -30.926 -2.035 1.00 0.00 C ATOM 447 CE2 PHE A 34 9.598 -30.659 0.287 1.00 0.00 C ATOM 448 CZ PHE A 34 8.694 -30.953 -0.714 1.00 0.00 C ATOM 0 H PHE A 34 14.758 -32.136 -1.946 1.00 0.00 H new ATOM 0 HA PHE A 34 12.571 -31.060 -3.544 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.354 -30.042 -0.805 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.782 -28.922 -2.025 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.714 -30.589 -3.385 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.607 -30.112 0.752 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.391 -31.154 -2.820 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.285 -30.678 1.321 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.673 -31.204 -0.465 1.00 0.00 H new ATOM 458 N GLY A 35 15.658 -30.148 -2.840 1.00 0.00 N ATOM 459 CA GLY A 35 16.825 -29.490 -3.401 1.00 0.00 C ATOM 460 C GLY A 35 17.955 -29.363 -2.399 1.00 0.00 C ATOM 461 O GLY A 35 17.823 -29.730 -1.231 1.00 0.00 O ATOM 0 H GLY A 35 15.815 -30.609 -1.944 1.00 0.00 H new ATOM 0 HA2 GLY A 35 17.173 -30.051 -4.268 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.544 -28.498 -3.755 1.00 0.00 H new ATOM 465 N PRO A 36 19.099 -28.832 -2.856 1.00 0.00 N ATOM 466 CA PRO A 36 20.280 -28.646 -2.008 1.00 0.00 C ATOM 467 C PRO A 36 20.077 -27.554 -0.963 1.00 0.00 C ATOM 468 O PRO A 36 20.249 -26.370 -1.248 1.00 0.00 O ATOM 469 CB PRO A 36 21.370 -28.238 -3.003 1.00 0.00 C ATOM 470 CG PRO A 36 20.632 -27.630 -4.145 1.00 0.00 C ATOM 471 CD PRO A 36 19.327 -28.371 -4.236 1.00 0.00 C ATOM 0 HA PRO A 36 20.518 -29.544 -1.438 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.066 -27.527 -2.558 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.956 -29.099 -3.324 1.00 0.00 H new ATOM 0 HG2 PRO A 36 20.466 -26.566 -3.980 1.00 0.00 H new ATOM 0 HG3 PRO A 36 21.200 -27.724 -5.071 1.00 0.00 H new ATOM 0 HD2 PRO A 36 18.521 -27.724 -4.582 1.00 0.00 H new ATOM 0 HD3 PRO A 36 19.387 -29.206 -4.934 1.00 0.00 H new ATOM 479 N MET A 37 19.711 -27.962 0.248 1.00 0.00 N ATOM 480 CA MET A 37 19.486 -27.018 1.336 1.00 0.00 C ATOM 481 C MET A 37 20.771 -26.271 1.682 1.00 0.00 C ATOM 482 O MET A 37 21.709 -26.849 2.231 1.00 0.00 O ATOM 483 CB MET A 37 18.959 -27.748 2.573 1.00 0.00 C ATOM 484 CG MET A 37 17.874 -28.766 2.261 1.00 0.00 C ATOM 485 SD MET A 37 18.458 -30.467 2.396 1.00 0.00 S ATOM 486 CE MET A 37 18.886 -30.541 4.133 1.00 0.00 C ATOM 0 H MET A 37 19.564 -28.939 0.500 1.00 0.00 H new ATOM 0 HA MET A 37 18.742 -26.293 1.006 1.00 0.00 H new ATOM 0 HB2 MET A 37 19.789 -28.253 3.068 1.00 0.00 H new ATOM 0 HB3 MET A 37 18.566 -27.015 3.278 1.00 0.00 H new ATOM 0 HG2 MET A 37 17.036 -28.618 2.942 1.00 0.00 H new ATOM 0 HG3 MET A 37 17.499 -28.594 1.252 1.00 0.00 H new ATOM 0 HE1 MET A 37 18.415 -31.413 4.587 1.00 0.00 H new ATOM 0 HE2 MET A 37 19.968 -30.617 4.238 1.00 0.00 H new ATOM 0 HE3 MET A 37 18.536 -29.638 4.633 1.00 0.00 H new ATOM 496 N LYS A 38 20.807 -24.983 1.356 1.00 0.00 N ATOM 497 CA LYS A 38 21.975 -24.156 1.632 1.00 0.00 C ATOM 498 C LYS A 38 22.223 -24.049 3.133 1.00 0.00 C ATOM 499 O LYS A 38 23.362 -23.898 3.574 1.00 0.00 O ATOM 500 CB LYS A 38 21.790 -22.759 1.034 1.00 0.00 C ATOM 501 CG LYS A 38 22.888 -21.783 1.418 1.00 0.00 C ATOM 502 CD LYS A 38 23.002 -20.649 0.413 1.00 0.00 C ATOM 503 CE LYS A 38 21.892 -19.625 0.600 1.00 0.00 C ATOM 504 NZ LYS A 38 22.166 -18.367 -0.147 1.00 0.00 N ATOM 0 H LYS A 38 20.040 -24.489 0.900 1.00 0.00 H new ATOM 0 HA LYS A 38 22.842 -24.630 1.171 1.00 0.00 H new ATOM 0 HB2 LYS A 38 21.751 -22.840 -0.052 1.00 0.00 H new ATOM 0 HB3 LYS A 38 20.830 -22.358 1.358 1.00 0.00 H new ATOM 0 HG2 LYS A 38 22.683 -21.374 2.408 1.00 0.00 H new ATOM 0 HG3 LYS A 38 23.839 -22.311 1.482 1.00 0.00 H new ATOM 0 HD2 LYS A 38 23.971 -20.161 0.522 1.00 0.00 H new ATOM 0 HD3 LYS A 38 22.960 -21.052 -0.599 1.00 0.00 H new ATOM 0 HE2 LYS A 38 20.946 -20.049 0.262 1.00 0.00 H new ATOM 0 HE3 LYS A 38 21.780 -19.400 1.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 21.387 -17.696 0.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 23.056 -17.948 0.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 22.247 -18.577 -1.162 1.00 0.00 H new ATOM 518 N GLU A 39 21.150 -24.129 3.914 1.00 0.00 N ATOM 519 CA GLU A 39 21.253 -24.042 5.365 1.00 0.00 C ATOM 520 C GLU A 39 19.931 -24.417 6.029 1.00 0.00 C ATOM 521 O GLU A 39 18.893 -24.490 5.371 1.00 0.00 O ATOM 522 CB GLU A 39 21.664 -22.629 5.786 1.00 0.00 C ATOM 523 CG GLU A 39 22.662 -22.601 6.931 1.00 0.00 C ATOM 524 CD GLU A 39 23.332 -21.250 7.088 1.00 0.00 C ATOM 525 OE1 GLU A 39 23.000 -20.330 6.311 1.00 0.00 O ATOM 526 OE2 GLU A 39 24.189 -21.112 7.986 1.00 0.00 O ATOM 0 H GLU A 39 20.200 -24.254 3.565 1.00 0.00 H new ATOM 0 HA GLU A 39 22.017 -24.748 5.691 1.00 0.00 H new ATOM 0 HB2 GLU A 39 22.095 -22.114 4.927 1.00 0.00 H new ATOM 0 HB3 GLU A 39 20.773 -22.072 6.078 1.00 0.00 H new ATOM 0 HG2 GLU A 39 22.152 -22.859 7.859 1.00 0.00 H new ATOM 0 HG3 GLU A 39 23.423 -23.363 6.763 1.00 0.00 H new ATOM 533 N VAL A 40 19.978 -24.655 7.336 1.00 0.00 N ATOM 534 CA VAL A 40 18.785 -25.023 8.089 1.00 0.00 C ATOM 535 C VAL A 40 18.915 -24.622 9.554 1.00 0.00 C ATOM 536 O VAL A 40 19.949 -24.849 10.182 1.00 0.00 O ATOM 537 CB VAL A 40 18.512 -26.536 8.005 1.00 0.00 C ATOM 538 CG1 VAL A 40 17.911 -26.896 6.654 1.00 0.00 C ATOM 539 CG2 VAL A 40 19.790 -27.323 8.255 1.00 0.00 C ATOM 0 H VAL A 40 20.829 -24.600 7.895 1.00 0.00 H new ATOM 0 HA VAL A 40 17.950 -24.486 7.640 1.00 0.00 H new ATOM 0 HB VAL A 40 17.792 -26.801 8.779 1.00 0.00 H new ATOM 0 HG11 VAL A 40 17.725 -27.969 6.613 1.00 0.00 H new ATOM 0 HG12 VAL A 40 16.972 -26.359 6.519 1.00 0.00 H new ATOM 0 HG13 VAL A 40 18.605 -26.618 5.861 1.00 0.00 H new ATOM 0 HG21 VAL A 40 19.578 -28.390 8.192 1.00 0.00 H new ATOM 0 HG22 VAL A 40 20.534 -27.056 7.505 1.00 0.00 H new ATOM 0 HG23 VAL A 40 20.174 -27.087 9.248 1.00 0.00 H new ATOM 549 N LYS A 41 17.859 -24.024 10.094 1.00 0.00 N ATOM 550 CA LYS A 41 17.852 -23.592 11.487 1.00 0.00 C ATOM 551 C LYS A 41 16.750 -24.298 12.270 1.00 0.00 C ATOM 552 O LYS A 41 15.602 -24.356 11.829 1.00 0.00 O ATOM 553 CB LYS A 41 17.662 -22.076 11.571 1.00 0.00 C ATOM 554 CG LYS A 41 18.249 -21.322 10.390 1.00 0.00 C ATOM 555 CD LYS A 41 19.757 -21.497 10.312 1.00 0.00 C ATOM 556 CE LYS A 41 20.464 -20.744 11.427 1.00 0.00 C ATOM 557 NZ LYS A 41 21.648 -21.490 11.937 1.00 0.00 N ATOM 0 H LYS A 41 16.996 -23.827 9.588 1.00 0.00 H new ATOM 0 HA LYS A 41 18.813 -23.856 11.928 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.597 -21.855 11.639 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.122 -21.711 12.489 1.00 0.00 H new ATOM 0 HG2 LYS A 41 17.792 -21.677 9.466 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.009 -20.262 10.477 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.005 -22.557 10.373 1.00 0.00 H new ATOM 0 HD3 LYS A 41 20.116 -21.141 9.346 1.00 0.00 H new ATOM 0 HE2 LYS A 41 20.780 -19.767 11.062 1.00 0.00 H new ATOM 0 HE3 LYS A 41 19.766 -20.568 12.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 22.102 -20.943 12.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 21.343 -22.412 12.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 22.326 -21.636 11.162 1.00 0.00 H new ATOM 571 N ILE A 42 17.106 -24.831 13.434 1.00 0.00 N ATOM 572 CA ILE A 42 16.146 -25.530 14.279 1.00 0.00 C ATOM 573 C ILE A 42 16.149 -24.967 15.697 1.00 0.00 C ATOM 574 O ILE A 42 17.098 -25.170 16.455 1.00 0.00 O ATOM 575 CB ILE A 42 16.443 -27.040 14.338 1.00 0.00 C ATOM 576 CG1 ILE A 42 17.300 -27.460 13.143 1.00 0.00 C ATOM 577 CG2 ILE A 42 15.146 -27.834 14.373 1.00 0.00 C ATOM 578 CD1 ILE A 42 16.597 -27.310 11.812 1.00 0.00 C ATOM 0 H ILE A 42 18.052 -24.792 13.813 1.00 0.00 H new ATOM 0 HA ILE A 42 15.163 -25.378 13.832 1.00 0.00 H new ATOM 0 HB ILE A 42 16.999 -27.251 15.251 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.212 -26.863 13.132 1.00 0.00 H new ATOM 0 HG13 ILE A 42 17.602 -28.500 13.270 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.373 -28.899 14.415 1.00 0.00 H new ATOM 0 HG22 ILE A 42 14.570 -27.551 15.254 1.00 0.00 H new ATOM 0 HG23 ILE A 42 14.565 -27.621 13.476 1.00 0.00 H new ATOM 0 HD11 ILE A 42 17.264 -27.626 11.010 1.00 0.00 H new ATOM 0 HD12 ILE A 42 15.700 -27.929 11.803 1.00 0.00 H new ATOM 0 HD13 ILE A 42 16.319 -26.267 11.663 1.00 0.00 H new ATOM 590 N LEU A 43 15.081 -24.259 16.048 1.00 0.00 N ATOM 591 CA LEU A 43 14.959 -23.668 17.376 1.00 0.00 C ATOM 592 C LEU A 43 13.672 -24.121 18.058 1.00 0.00 C ATOM 593 O LEU A 43 12.650 -24.325 17.404 1.00 0.00 O ATOM 594 CB LEU A 43 14.988 -22.141 17.280 1.00 0.00 C ATOM 595 CG LEU A 43 16.148 -21.541 16.485 1.00 0.00 C ATOM 596 CD1 LEU A 43 15.782 -20.157 15.970 1.00 0.00 C ATOM 597 CD2 LEU A 43 17.405 -21.478 17.339 1.00 0.00 C ATOM 0 H LEU A 43 14.288 -24.080 15.432 1.00 0.00 H new ATOM 0 HA LEU A 43 15.804 -24.005 17.976 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.054 -21.807 16.829 1.00 0.00 H new ATOM 0 HB3 LEU A 43 15.017 -21.734 18.291 1.00 0.00 H new ATOM 0 HG LEU A 43 16.347 -22.185 15.629 1.00 0.00 H new ATOM 0 HD11 LEU A 43 16.619 -19.745 15.407 1.00 0.00 H new ATOM 0 HD12 LEU A 43 14.909 -20.229 15.322 1.00 0.00 H new ATOM 0 HD13 LEU A 43 15.555 -19.504 16.812 1.00 0.00 H new ATOM 0 HD21 LEU A 43 18.220 -21.048 16.756 1.00 0.00 H new ATOM 0 HD22 LEU A 43 17.219 -20.857 18.215 1.00 0.00 H new ATOM 0 HD23 LEU A 43 17.679 -22.484 17.658 1.00 0.00 H new ATOM 609 N ASN A 44 13.729 -24.275 19.377 1.00 0.00 N ATOM 610 CA ASN A 44 12.568 -24.703 20.148 1.00 0.00 C ATOM 611 C ASN A 44 11.465 -23.650 20.098 1.00 0.00 C ATOM 612 O ASN A 44 11.422 -22.741 20.926 1.00 0.00 O ATOM 613 CB ASN A 44 12.965 -24.973 21.600 1.00 0.00 C ATOM 614 CG ASN A 44 13.977 -26.096 21.723 1.00 0.00 C ATOM 615 OD1 ASN A 44 15.132 -25.869 22.084 1.00 0.00 O ATOM 616 ND2 ASN A 44 13.547 -27.316 21.422 1.00 0.00 N ATOM 0 H ASN A 44 14.567 -24.110 19.934 1.00 0.00 H new ATOM 0 HA ASN A 44 12.188 -25.624 19.706 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.380 -24.064 22.035 1.00 0.00 H new ATOM 0 HB3 ASN A 44 12.075 -25.225 22.176 1.00 0.00 H new ATOM 0 HD21 ASN A 44 14.183 -28.111 21.486 1.00 0.00 H new ATOM 0 HD22 ASN A 44 12.581 -27.458 21.127 1.00 0.00 H new ATOM 623 N GLY A 45 10.572 -23.781 19.121 1.00 0.00 N ATOM 624 CA GLY A 45 9.480 -22.835 18.982 1.00 0.00 C ATOM 625 C GLY A 45 9.286 -22.381 17.549 1.00 0.00 C ATOM 626 O GLY A 45 8.245 -21.822 17.203 1.00 0.00 O ATOM 0 H GLY A 45 10.586 -24.525 18.424 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.559 -23.292 19.343 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.673 -21.967 19.612 1.00 0.00 H new ATOM 630 N PHE A 46 10.291 -22.619 16.713 1.00 0.00 N ATOM 631 CA PHE A 46 10.227 -22.228 15.310 1.00 0.00 C ATOM 632 C PHE A 46 11.355 -22.877 14.513 1.00 0.00 C ATOM 633 O PHE A 46 12.459 -23.068 15.022 1.00 0.00 O ATOM 634 CB PHE A 46 10.305 -20.706 15.179 1.00 0.00 C ATOM 635 CG PHE A 46 10.858 -20.026 16.399 1.00 0.00 C ATOM 636 CD1 PHE A 46 12.220 -20.028 16.651 1.00 0.00 C ATOM 637 CD2 PHE A 46 10.016 -19.387 17.294 1.00 0.00 C ATOM 638 CE1 PHE A 46 12.733 -19.403 17.772 1.00 0.00 C ATOM 639 CE2 PHE A 46 10.522 -18.760 18.417 1.00 0.00 C ATOM 640 CZ PHE A 46 11.883 -18.770 18.657 1.00 0.00 C ATOM 0 H PHE A 46 11.160 -23.081 16.983 1.00 0.00 H new ATOM 0 HA PHE A 46 9.275 -22.572 14.905 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.927 -20.455 14.320 1.00 0.00 H new ATOM 0 HB3 PHE A 46 9.308 -20.315 14.976 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.889 -20.524 15.963 1.00 0.00 H new ATOM 0 HD2 PHE A 46 8.951 -19.379 17.112 1.00 0.00 H new ATOM 0 HE1 PHE A 46 13.797 -19.410 17.955 1.00 0.00 H new ATOM 0 HE2 PHE A 46 9.855 -18.263 19.106 1.00 0.00 H new ATOM 0 HZ PHE A 46 12.281 -18.284 19.535 1.00 0.00 H new ATOM 650 N ALA A 47 11.068 -23.213 13.259 1.00 0.00 N ATOM 651 CA ALA A 47 12.058 -23.839 12.391 1.00 0.00 C ATOM 652 C ALA A 47 12.279 -23.014 11.128 1.00 0.00 C ATOM 653 O ALA A 47 11.403 -22.258 10.706 1.00 0.00 O ATOM 654 CB ALA A 47 11.625 -25.253 12.031 1.00 0.00 C ATOM 0 H ALA A 47 10.159 -23.062 12.822 1.00 0.00 H new ATOM 0 HA ALA A 47 13.003 -23.887 12.933 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.373 -25.709 11.383 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.524 -25.845 12.940 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.667 -25.219 11.512 1.00 0.00 H new ATOM 660 N PHE A 48 13.455 -23.163 10.528 1.00 0.00 N ATOM 661 CA PHE A 48 13.792 -22.430 9.313 1.00 0.00 C ATOM 662 C PHE A 48 14.638 -23.289 8.376 1.00 0.00 C ATOM 663 O PHE A 48 15.435 -24.114 8.823 1.00 0.00 O ATOM 664 CB PHE A 48 14.543 -21.143 9.660 1.00 0.00 C ATOM 665 CG PHE A 48 13.833 -20.289 10.671 1.00 0.00 C ATOM 666 CD1 PHE A 48 12.805 -19.444 10.284 1.00 0.00 C ATOM 667 CD2 PHE A 48 14.194 -20.330 12.008 1.00 0.00 C ATOM 668 CE1 PHE A 48 12.150 -18.657 11.212 1.00 0.00 C ATOM 669 CE2 PHE A 48 13.541 -19.546 12.940 1.00 0.00 C ATOM 670 CZ PHE A 48 12.519 -18.707 12.542 1.00 0.00 C ATOM 0 H PHE A 48 14.191 -23.785 10.863 1.00 0.00 H new ATOM 0 HA PHE A 48 12.863 -22.174 8.804 1.00 0.00 H new ATOM 0 HB2 PHE A 48 15.531 -21.400 10.043 1.00 0.00 H new ATOM 0 HB3 PHE A 48 14.695 -20.564 8.749 1.00 0.00 H new ATOM 0 HD1 PHE A 48 12.512 -19.400 9.245 1.00 0.00 H new ATOM 0 HD2 PHE A 48 14.995 -20.982 12.325 1.00 0.00 H new ATOM 0 HE1 PHE A 48 11.350 -18.003 10.897 1.00 0.00 H new ATOM 0 HE2 PHE A 48 13.830 -19.589 13.980 1.00 0.00 H new ATOM 0 HZ PHE A 48 12.010 -18.092 13.269 1.00 0.00 H new ATOM 680 N VAL A 49 14.456 -23.089 7.075 1.00 0.00 N ATOM 681 CA VAL A 49 15.202 -23.843 6.074 1.00 0.00 C ATOM 682 C VAL A 49 15.538 -22.974 4.868 1.00 0.00 C ATOM 683 O VAL A 49 14.646 -22.512 4.156 1.00 0.00 O ATOM 684 CB VAL A 49 14.413 -25.078 5.600 1.00 0.00 C ATOM 685 CG1 VAL A 49 15.193 -25.833 4.535 1.00 0.00 C ATOM 686 CG2 VAL A 49 14.085 -25.985 6.776 1.00 0.00 C ATOM 0 H VAL A 49 13.799 -22.411 6.689 1.00 0.00 H new ATOM 0 HA VAL A 49 16.126 -24.171 6.549 1.00 0.00 H new ATOM 0 HB VAL A 49 13.475 -24.741 5.159 1.00 0.00 H new ATOM 0 HG11 VAL A 49 14.620 -26.702 4.212 1.00 0.00 H new ATOM 0 HG12 VAL A 49 15.371 -25.178 3.682 1.00 0.00 H new ATOM 0 HG13 VAL A 49 16.148 -26.160 4.947 1.00 0.00 H new ATOM 0 HG21 VAL A 49 13.527 -26.852 6.422 1.00 0.00 H new ATOM 0 HG22 VAL A 49 15.010 -26.316 7.249 1.00 0.00 H new ATOM 0 HG23 VAL A 49 13.483 -25.437 7.501 1.00 0.00 H new ATOM 696 N GLU A 50 16.830 -22.755 4.644 1.00 0.00 N ATOM 697 CA GLU A 50 17.283 -21.940 3.523 1.00 0.00 C ATOM 698 C GLU A 50 17.803 -22.818 2.387 1.00 0.00 C ATOM 699 O GLU A 50 18.859 -23.439 2.502 1.00 0.00 O ATOM 700 CB GLU A 50 18.378 -20.973 3.976 1.00 0.00 C ATOM 701 CG GLU A 50 18.977 -20.157 2.843 1.00 0.00 C ATOM 702 CD GLU A 50 19.578 -18.849 3.320 1.00 0.00 C ATOM 703 OE1 GLU A 50 20.504 -18.892 4.157 1.00 0.00 O ATOM 704 OE2 GLU A 50 19.122 -17.783 2.857 1.00 0.00 O ATOM 0 H GLU A 50 17.581 -23.130 5.224 1.00 0.00 H new ATOM 0 HA GLU A 50 16.431 -21.367 3.156 1.00 0.00 H new ATOM 0 HB2 GLU A 50 17.965 -20.294 4.722 1.00 0.00 H new ATOM 0 HB3 GLU A 50 19.172 -21.539 4.464 1.00 0.00 H new ATOM 0 HG2 GLU A 50 19.747 -20.746 2.344 1.00 0.00 H new ATOM 0 HG3 GLU A 50 18.205 -19.949 2.102 1.00 0.00 H new ATOM 711 N PHE A 51 17.052 -22.863 1.292 1.00 0.00 N ATOM 712 CA PHE A 51 17.435 -23.665 0.136 1.00 0.00 C ATOM 713 C PHE A 51 18.459 -22.928 -0.723 1.00 0.00 C ATOM 714 O PHE A 51 18.475 -21.699 -0.768 1.00 0.00 O ATOM 715 CB PHE A 51 16.203 -24.010 -0.703 1.00 0.00 C ATOM 716 CG PHE A 51 15.540 -25.294 -0.294 1.00 0.00 C ATOM 717 CD1 PHE A 51 16.156 -26.513 -0.527 1.00 0.00 C ATOM 718 CD2 PHE A 51 14.299 -25.282 0.323 1.00 0.00 C ATOM 719 CE1 PHE A 51 15.548 -27.696 -0.152 1.00 0.00 C ATOM 720 CE2 PHE A 51 13.687 -26.462 0.701 1.00 0.00 C ATOM 721 CZ PHE A 51 14.311 -27.671 0.462 1.00 0.00 C ATOM 0 H PHE A 51 16.175 -22.354 1.181 1.00 0.00 H new ATOM 0 HA PHE A 51 17.888 -24.587 0.500 1.00 0.00 H new ATOM 0 HB2 PHE A 51 15.481 -23.197 -0.626 1.00 0.00 H new ATOM 0 HB3 PHE A 51 16.495 -24.079 -1.751 1.00 0.00 H new ATOM 0 HD1 PHE A 51 17.123 -26.539 -1.007 1.00 0.00 H new ATOM 0 HD2 PHE A 51 13.805 -24.340 0.510 1.00 0.00 H new ATOM 0 HE1 PHE A 51 16.040 -28.639 -0.339 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.721 -26.439 1.183 1.00 0.00 H new ATOM 0 HZ PHE A 51 13.833 -28.594 0.754 1.00 0.00 H new ATOM 731 N GLU A 52 19.312 -23.689 -1.401 1.00 0.00 N ATOM 732 CA GLU A 52 20.339 -23.108 -2.257 1.00 0.00 C ATOM 733 C GLU A 52 19.749 -22.668 -3.594 1.00 0.00 C ATOM 734 O GLU A 52 20.457 -22.143 -4.453 1.00 0.00 O ATOM 735 CB GLU A 52 21.468 -24.114 -2.491 1.00 0.00 C ATOM 736 CG GLU A 52 22.745 -23.484 -3.022 1.00 0.00 C ATOM 737 CD GLU A 52 23.954 -24.382 -2.849 1.00 0.00 C ATOM 738 OE1 GLU A 52 23.785 -25.619 -2.882 1.00 0.00 O ATOM 739 OE2 GLU A 52 25.070 -23.847 -2.682 1.00 0.00 O ATOM 0 H GLU A 52 19.312 -24.709 -1.374 1.00 0.00 H new ATOM 0 HA GLU A 52 20.743 -22.230 -1.752 1.00 0.00 H new ATOM 0 HB2 GLU A 52 21.688 -24.625 -1.554 1.00 0.00 H new ATOM 0 HB3 GLU A 52 21.127 -24.873 -3.196 1.00 0.00 H new ATOM 0 HG2 GLU A 52 22.618 -23.251 -4.079 1.00 0.00 H new ATOM 0 HG3 GLU A 52 22.922 -22.540 -2.507 1.00 0.00 H new ATOM 746 N GLU A 53 18.449 -22.888 -3.761 1.00 0.00 N ATOM 747 CA GLU A 53 17.765 -22.516 -4.994 1.00 0.00 C ATOM 748 C GLU A 53 16.371 -21.970 -4.699 1.00 0.00 C ATOM 749 O GLU A 53 15.565 -22.621 -4.035 1.00 0.00 O ATOM 750 CB GLU A 53 17.664 -23.721 -5.932 1.00 0.00 C ATOM 751 CG GLU A 53 18.878 -23.898 -6.828 1.00 0.00 C ATOM 752 CD GLU A 53 19.169 -22.669 -7.666 1.00 0.00 C ATOM 753 OE1 GLU A 53 18.210 -21.956 -8.028 1.00 0.00 O ATOM 754 OE2 GLU A 53 20.357 -22.419 -7.960 1.00 0.00 O ATOM 0 H GLU A 53 17.849 -23.321 -3.059 1.00 0.00 H new ATOM 0 HA GLU A 53 18.348 -21.734 -5.480 1.00 0.00 H new ATOM 0 HB2 GLU A 53 17.528 -24.624 -5.337 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.776 -23.613 -6.555 1.00 0.00 H new ATOM 0 HG2 GLU A 53 19.748 -24.128 -6.213 1.00 0.00 H new ATOM 0 HG3 GLU A 53 18.718 -24.752 -7.486 1.00 0.00 H new ATOM 761 N ALA A 54 16.094 -20.769 -5.197 1.00 0.00 N ATOM 762 CA ALA A 54 14.799 -20.135 -4.988 1.00 0.00 C ATOM 763 C ALA A 54 13.660 -21.077 -5.364 1.00 0.00 C ATOM 764 O ALA A 54 12.667 -21.183 -4.645 1.00 0.00 O ATOM 765 CB ALA A 54 14.706 -18.846 -5.791 1.00 0.00 C ATOM 0 H ALA A 54 16.750 -20.216 -5.748 1.00 0.00 H new ATOM 0 HA ALA A 54 14.706 -19.898 -3.928 1.00 0.00 H new ATOM 0 HB1 ALA A 54 13.733 -18.383 -5.625 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.492 -18.162 -5.473 1.00 0.00 H new ATOM 0 HB3 ALA A 54 14.826 -19.068 -6.851 1.00 0.00 H new ATOM 771 N GLU A 55 13.811 -21.759 -6.495 1.00 0.00 N ATOM 772 CA GLU A 55 12.793 -22.691 -6.966 1.00 0.00 C ATOM 773 C GLU A 55 12.511 -23.764 -5.918 1.00 0.00 C ATOM 774 O GLU A 55 11.358 -24.015 -5.566 1.00 0.00 O ATOM 775 CB GLU A 55 13.236 -23.346 -8.276 1.00 0.00 C ATOM 776 CG GLU A 55 12.083 -23.865 -9.118 1.00 0.00 C ATOM 777 CD GLU A 55 12.474 -25.056 -9.972 1.00 0.00 C ATOM 778 OE1 GLU A 55 12.760 -26.128 -9.401 1.00 0.00 O ATOM 779 OE2 GLU A 55 12.494 -24.913 -11.213 1.00 0.00 O ATOM 0 H GLU A 55 14.628 -21.684 -7.102 1.00 0.00 H new ATOM 0 HA GLU A 55 11.876 -22.129 -7.141 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.804 -22.622 -8.860 1.00 0.00 H new ATOM 0 HB3 GLU A 55 13.910 -24.172 -8.049 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.258 -24.147 -8.464 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.719 -23.064 -9.762 1.00 0.00 H new ATOM 786 N SER A 56 13.572 -24.394 -5.424 1.00 0.00 N ATOM 787 CA SER A 56 13.439 -25.442 -4.420 1.00 0.00 C ATOM 788 C SER A 56 12.676 -24.934 -3.201 1.00 0.00 C ATOM 789 O SER A 56 11.817 -25.629 -2.658 1.00 0.00 O ATOM 790 CB SER A 56 14.819 -25.950 -3.996 1.00 0.00 C ATOM 791 OG SER A 56 15.283 -26.960 -4.876 1.00 0.00 O ATOM 0 H SER A 56 14.533 -24.197 -5.703 1.00 0.00 H new ATOM 0 HA SER A 56 12.877 -26.264 -4.862 1.00 0.00 H new ATOM 0 HB2 SER A 56 15.527 -25.121 -3.983 1.00 0.00 H new ATOM 0 HB3 SER A 56 14.769 -26.343 -2.980 1.00 0.00 H new ATOM 0 HG SER A 56 14.795 -27.792 -4.705 1.00 0.00 H new ATOM 797 N ALA A 57 12.996 -23.716 -2.776 1.00 0.00 N ATOM 798 CA ALA A 57 12.340 -23.112 -1.623 1.00 0.00 C ATOM 799 C ALA A 57 10.871 -22.824 -1.915 1.00 0.00 C ATOM 800 O ALA A 57 9.986 -23.245 -1.171 1.00 0.00 O ATOM 801 CB ALA A 57 13.059 -21.835 -1.215 1.00 0.00 C ATOM 0 H ALA A 57 13.706 -23.128 -3.213 1.00 0.00 H new ATOM 0 HA ALA A 57 12.387 -23.822 -0.797 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.558 -21.395 -0.353 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.092 -22.066 -0.955 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.043 -21.128 -2.044 1.00 0.00 H new ATOM 807 N ALA A 58 10.620 -22.103 -3.003 1.00 0.00 N ATOM 808 CA ALA A 58 9.258 -21.760 -3.394 1.00 0.00 C ATOM 809 C ALA A 58 8.384 -23.005 -3.489 1.00 0.00 C ATOM 810 O ALA A 58 7.188 -22.961 -3.198 1.00 0.00 O ATOM 811 CB ALA A 58 9.262 -21.013 -4.720 1.00 0.00 C ATOM 0 H ALA A 58 11.342 -21.745 -3.629 1.00 0.00 H new ATOM 0 HA ALA A 58 8.838 -21.111 -2.625 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.239 -20.763 -5.000 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.845 -20.097 -4.620 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.706 -21.643 -5.491 1.00 0.00 H new ATOM 817 N LYS A 59 8.987 -24.116 -3.898 1.00 0.00 N ATOM 818 CA LYS A 59 8.264 -25.375 -4.031 1.00 0.00 C ATOM 819 C LYS A 59 7.991 -25.994 -2.664 1.00 0.00 C ATOM 820 O LYS A 59 6.846 -26.287 -2.322 1.00 0.00 O ATOM 821 CB LYS A 59 9.059 -26.355 -4.897 1.00 0.00 C ATOM 822 CG LYS A 59 9.008 -26.036 -6.381 1.00 0.00 C ATOM 823 CD LYS A 59 7.668 -26.417 -6.987 1.00 0.00 C ATOM 824 CE LYS A 59 7.765 -26.583 -8.496 1.00 0.00 C ATOM 825 NZ LYS A 59 6.450 -26.930 -9.102 1.00 0.00 N ATOM 0 H LYS A 59 9.976 -24.170 -4.143 1.00 0.00 H new ATOM 0 HA LYS A 59 7.309 -25.166 -4.513 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.099 -26.355 -4.570 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.674 -27.362 -4.737 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.187 -24.971 -6.532 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.806 -26.570 -6.897 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.316 -27.347 -6.540 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.930 -25.651 -6.751 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.137 -25.659 -8.940 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.490 -27.363 -8.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.559 -27.034 -10.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.107 -27.825 -8.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.765 -26.174 -8.901 1.00 0.00 H new ATOM 839 N ALA A 60 9.051 -26.188 -1.886 1.00 0.00 N ATOM 840 CA ALA A 60 8.925 -26.767 -0.554 1.00 0.00 C ATOM 841 C ALA A 60 7.874 -26.031 0.268 1.00 0.00 C ATOM 842 O ALA A 60 7.185 -26.631 1.093 1.00 0.00 O ATOM 843 CB ALA A 60 10.268 -26.744 0.160 1.00 0.00 C ATOM 0 H ALA A 60 10.006 -25.953 -2.155 1.00 0.00 H new ATOM 0 HA ALA A 60 8.602 -27.802 -0.664 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.159 -27.179 1.153 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.994 -27.322 -0.412 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.614 -25.714 0.251 1.00 0.00 H new ATOM 849 N ILE A 61 7.756 -24.727 0.038 1.00 0.00 N ATOM 850 CA ILE A 61 6.787 -23.910 0.758 1.00 0.00 C ATOM 851 C ILE A 61 5.360 -24.337 0.436 1.00 0.00 C ATOM 852 O ILE A 61 4.495 -24.358 1.311 1.00 0.00 O ATOM 853 CB ILE A 61 6.953 -22.415 0.423 1.00 0.00 C ATOM 854 CG1 ILE A 61 8.302 -21.903 0.931 1.00 0.00 C ATOM 855 CG2 ILE A 61 5.813 -21.608 1.027 1.00 0.00 C ATOM 856 CD1 ILE A 61 8.815 -20.699 0.172 1.00 0.00 C ATOM 0 H ILE A 61 8.319 -24.214 -0.641 1.00 0.00 H new ATOM 0 HA ILE A 61 6.976 -24.059 1.821 1.00 0.00 H new ATOM 0 HB ILE A 61 6.924 -22.295 -0.660 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.210 -21.645 1.986 1.00 0.00 H new ATOM 0 HG13 ILE A 61 9.036 -22.706 0.862 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.944 -20.554 0.782 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.864 -21.960 0.622 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.814 -21.732 2.110 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.775 -20.390 0.586 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.939 -20.958 -0.880 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.101 -19.881 0.262 1.00 0.00 H new ATOM 868 N GLU A 62 5.120 -24.677 -0.827 1.00 0.00 N ATOM 869 CA GLU A 62 3.797 -25.105 -1.264 1.00 0.00 C ATOM 870 C GLU A 62 3.636 -26.615 -1.116 1.00 0.00 C ATOM 871 O GLU A 62 2.528 -27.142 -1.197 1.00 0.00 O ATOM 872 CB GLU A 62 3.560 -24.696 -2.720 1.00 0.00 C ATOM 873 CG GLU A 62 3.280 -23.213 -2.897 1.00 0.00 C ATOM 874 CD GLU A 62 3.174 -22.810 -4.356 1.00 0.00 C ATOM 875 OE1 GLU A 62 2.172 -23.181 -5.002 1.00 0.00 O ATOM 876 OE2 GLU A 62 4.093 -22.125 -4.850 1.00 0.00 O ATOM 0 H GLU A 62 5.824 -24.664 -1.565 1.00 0.00 H new ATOM 0 HA GLU A 62 3.057 -24.615 -0.631 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.435 -24.965 -3.311 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.720 -25.266 -3.117 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.352 -22.958 -2.385 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.074 -22.638 -2.422 1.00 0.00 H new ATOM 883 N GLU A 63 4.752 -27.305 -0.900 1.00 0.00 N ATOM 884 CA GLU A 63 4.736 -28.754 -0.742 1.00 0.00 C ATOM 885 C GLU A 63 4.579 -29.140 0.726 1.00 0.00 C ATOM 886 O GLU A 63 3.571 -29.726 1.121 1.00 0.00 O ATOM 887 CB GLU A 63 6.019 -29.366 -1.307 1.00 0.00 C ATOM 888 CG GLU A 63 6.232 -29.079 -2.784 1.00 0.00 C ATOM 889 CD GLU A 63 5.797 -30.229 -3.670 1.00 0.00 C ATOM 890 OE1 GLU A 63 5.047 -31.102 -3.185 1.00 0.00 O ATOM 891 OE2 GLU A 63 6.206 -30.256 -4.850 1.00 0.00 O ATOM 0 H GLU A 63 5.678 -26.883 -0.831 1.00 0.00 H new ATOM 0 HA GLU A 63 3.882 -29.144 -1.296 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.871 -28.985 -0.745 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.994 -30.445 -1.155 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.677 -28.183 -3.060 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.287 -28.868 -2.961 1.00 0.00 H new ATOM 898 N VAL A 64 5.583 -28.807 1.530 1.00 0.00 N ATOM 899 CA VAL A 64 5.558 -29.117 2.954 1.00 0.00 C ATOM 900 C VAL A 64 4.304 -28.558 3.616 1.00 0.00 C ATOM 901 O VAL A 64 3.754 -29.160 4.539 1.00 0.00 O ATOM 902 CB VAL A 64 6.799 -28.556 3.674 1.00 0.00 C ATOM 903 CG1 VAL A 64 6.860 -29.062 5.107 1.00 0.00 C ATOM 904 CG2 VAL A 64 8.065 -28.922 2.915 1.00 0.00 C ATOM 0 H VAL A 64 6.425 -28.322 1.219 1.00 0.00 H new ATOM 0 HA VAL A 64 5.558 -30.204 3.041 1.00 0.00 H new ATOM 0 HB VAL A 64 6.721 -27.469 3.702 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.743 -28.655 5.599 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.966 -28.744 5.644 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.914 -30.151 5.106 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.932 -28.518 3.437 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.152 -30.007 2.853 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.020 -28.504 1.909 1.00 0.00 H new ATOM 914 N HIS A 65 3.855 -27.401 3.139 1.00 0.00 N ATOM 915 CA HIS A 65 2.664 -26.760 3.684 1.00 0.00 C ATOM 916 C HIS A 65 1.445 -27.665 3.539 1.00 0.00 C ATOM 917 O HIS A 65 1.066 -28.041 2.430 1.00 0.00 O ATOM 918 CB HIS A 65 2.409 -25.426 2.980 1.00 0.00 C ATOM 919 CG HIS A 65 1.122 -24.774 3.379 1.00 0.00 C ATOM 920 ND1 HIS A 65 0.976 -24.043 4.540 1.00 0.00 N ATOM 921 CD2 HIS A 65 -0.084 -24.745 2.764 1.00 0.00 C ATOM 922 CE1 HIS A 65 -0.263 -23.594 4.622 1.00 0.00 C ATOM 923 NE2 HIS A 65 -0.927 -24.005 3.556 1.00 0.00 N ATOM 0 H HIS A 65 4.298 -26.889 2.376 1.00 0.00 H new ATOM 0 HA HIS A 65 2.834 -26.576 4.745 1.00 0.00 H new ATOM 0 HB2 HIS A 65 3.233 -24.747 3.197 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.405 -25.588 1.902 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.336 -25.216 1.825 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -0.665 -22.993 5.424 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -1.907 -23.805 3.354 1.00 0.00 H new ATOM 931 N GLY A 66 0.834 -28.013 4.668 1.00 0.00 N ATOM 932 CA GLY A 66 -0.335 -28.873 4.645 1.00 0.00 C ATOM 933 C GLY A 66 0.010 -30.327 4.896 1.00 0.00 C ATOM 934 O GLY A 66 -0.855 -31.200 4.819 1.00 0.00 O ATOM 0 H GLY A 66 1.128 -27.715 5.598 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.045 -28.536 5.400 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.830 -28.782 3.678 1.00 0.00 H new ATOM 938 N LYS A 67 1.277 -30.590 5.196 1.00 0.00 N ATOM 939 CA LYS A 67 1.736 -31.948 5.459 1.00 0.00 C ATOM 940 C LYS A 67 1.353 -32.389 6.868 1.00 0.00 C ATOM 941 O LYS A 67 0.702 -31.648 7.605 1.00 0.00 O ATOM 942 CB LYS A 67 3.253 -32.040 5.279 1.00 0.00 C ATOM 943 CG LYS A 67 3.699 -31.968 3.829 1.00 0.00 C ATOM 944 CD LYS A 67 3.285 -33.209 3.055 1.00 0.00 C ATOM 945 CE LYS A 67 4.422 -34.215 2.966 1.00 0.00 C ATOM 946 NZ LYS A 67 4.019 -35.442 2.225 1.00 0.00 N ATOM 0 H LYS A 67 2.005 -29.879 5.263 1.00 0.00 H new ATOM 0 HA LYS A 67 1.251 -32.613 4.745 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.726 -31.232 5.836 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.606 -32.976 5.713 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.268 -31.084 3.358 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.782 -31.856 3.786 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.425 -33.672 3.540 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.970 -32.925 2.051 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.276 -33.755 2.469 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.746 -34.487 3.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.821 -36.103 2.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.220 -35.895 2.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.734 -35.186 1.258 1.00 0.00 H new ATOM 960 N SER A 68 1.762 -33.598 7.237 1.00 0.00 N ATOM 961 CA SER A 68 1.460 -34.138 8.558 1.00 0.00 C ATOM 962 C SER A 68 2.739 -34.526 9.292 1.00 0.00 C ATOM 963 O SER A 68 3.690 -35.022 8.687 1.00 0.00 O ATOM 964 CB SER A 68 0.539 -35.353 8.437 1.00 0.00 C ATOM 965 OG SER A 68 1.151 -36.384 7.681 1.00 0.00 O ATOM 0 H SER A 68 2.304 -34.223 6.640 1.00 0.00 H new ATOM 0 HA SER A 68 0.953 -33.363 9.133 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.290 -35.725 9.431 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.397 -35.058 7.964 1.00 0.00 H new ATOM 0 HG SER A 68 0.543 -37.150 7.620 1.00 0.00 H new ATOM 971 N PHE A 69 2.756 -34.297 10.601 1.00 0.00 N ATOM 972 CA PHE A 69 3.918 -34.621 11.419 1.00 0.00 C ATOM 973 C PHE A 69 3.606 -34.444 12.902 1.00 0.00 C ATOM 974 O PHE A 69 3.016 -33.442 13.308 1.00 0.00 O ATOM 975 CB PHE A 69 5.106 -33.740 11.028 1.00 0.00 C ATOM 976 CG PHE A 69 6.430 -34.278 11.492 1.00 0.00 C ATOM 977 CD1 PHE A 69 6.855 -34.077 12.795 1.00 0.00 C ATOM 978 CD2 PHE A 69 7.248 -34.984 10.625 1.00 0.00 C ATOM 979 CE1 PHE A 69 8.073 -34.569 13.224 1.00 0.00 C ATOM 980 CE2 PHE A 69 8.467 -35.480 11.049 1.00 0.00 C ATOM 981 CZ PHE A 69 8.879 -35.273 12.351 1.00 0.00 C ATOM 0 H PHE A 69 1.978 -33.888 11.118 1.00 0.00 H new ATOM 0 HA PHE A 69 4.175 -35.665 11.242 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.127 -33.632 9.944 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.962 -32.743 11.445 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.228 -33.530 13.483 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.930 -35.149 9.606 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.395 -34.403 14.242 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.096 -36.028 10.363 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.830 -35.661 12.686 1.00 0.00 H new ATOM 991 N ALA A 70 4.006 -35.423 13.707 1.00 0.00 N ATOM 992 CA ALA A 70 3.770 -35.375 15.144 1.00 0.00 C ATOM 993 C ALA A 70 2.281 -35.260 15.454 1.00 0.00 C ATOM 994 O ALA A 70 1.885 -34.577 16.396 1.00 0.00 O ATOM 995 CB ALA A 70 4.531 -34.213 15.765 1.00 0.00 C ATOM 0 H ALA A 70 4.495 -36.259 13.388 1.00 0.00 H new ATOM 0 HA ALA A 70 4.133 -36.307 15.577 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.346 -34.189 16.839 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.598 -34.339 15.584 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.195 -33.277 15.318 1.00 0.00 H new ATOM 1001 N ASN A 71 1.462 -35.934 14.652 1.00 0.00 N ATOM 1002 CA ASN A 71 0.016 -35.906 14.840 1.00 0.00 C ATOM 1003 C ASN A 71 -0.518 -34.480 14.745 1.00 0.00 C ATOM 1004 O ASN A 71 -1.487 -34.124 15.414 1.00 0.00 O ATOM 1005 CB ASN A 71 -0.355 -36.512 16.195 1.00 0.00 C ATOM 1006 CG ASN A 71 -0.406 -38.027 16.157 1.00 0.00 C ATOM 1007 OD1 ASN A 71 -1.054 -38.616 15.291 1.00 0.00 O ATOM 1008 ND2 ASN A 71 0.280 -38.666 17.097 1.00 0.00 N ATOM 0 H ASN A 71 1.775 -36.505 13.867 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.440 -36.499 14.047 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.372 -36.194 16.943 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.325 -36.126 16.509 1.00 0.00 H new ATOM 0 HD21 ASN A 71 0.284 -39.686 17.121 1.00 0.00 H new ATOM 0 HD22 ASN A 71 0.803 -38.137 17.795 1.00 0.00 H new ATOM 1015 N GLN A 72 0.123 -33.669 13.909 1.00 0.00 N ATOM 1016 CA GLN A 72 -0.288 -32.281 13.727 1.00 0.00 C ATOM 1017 C GLN A 72 0.052 -31.793 12.323 1.00 0.00 C ATOM 1018 O GLN A 72 1.044 -32.204 11.720 1.00 0.00 O ATOM 1019 CB GLN A 72 0.387 -31.387 14.768 1.00 0.00 C ATOM 1020 CG GLN A 72 0.074 -31.781 16.203 1.00 0.00 C ATOM 1021 CD GLN A 72 0.772 -30.896 17.217 1.00 0.00 C ATOM 1022 OE1 GLN A 72 1.865 -30.387 16.966 1.00 0.00 O ATOM 1023 NE2 GLN A 72 0.143 -30.706 18.370 1.00 0.00 N ATOM 0 H GLN A 72 0.928 -33.948 13.348 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.369 -32.228 13.859 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.466 -31.420 14.618 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.074 -30.355 14.607 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.003 -31.731 16.363 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.372 -32.817 16.365 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.762 -31.147 18.536 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.564 -30.119 19.090 1.00 0.00 H new ATOM 1032 N PRO A 73 -0.788 -30.895 11.788 1.00 0.00 N ATOM 1033 CA PRO A 73 -0.597 -30.331 10.449 1.00 0.00 C ATOM 1034 C PRO A 73 0.604 -29.393 10.381 1.00 0.00 C ATOM 1035 O PRO A 73 0.712 -28.449 11.164 1.00 0.00 O ATOM 1036 CB PRO A 73 -1.894 -29.557 10.201 1.00 0.00 C ATOM 1037 CG PRO A 73 -2.399 -29.219 11.561 1.00 0.00 C ATOM 1038 CD PRO A 73 -1.990 -30.360 12.451 1.00 0.00 C ATOM 0 HA PRO A 73 -0.397 -31.104 9.706 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.712 -28.658 9.612 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.615 -30.160 9.649 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.974 -28.279 11.912 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.482 -29.097 11.556 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.773 -30.022 13.464 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.775 -31.112 12.527 1.00 0.00 H new ATOM 1046 N LEU A 74 1.503 -29.659 9.440 1.00 0.00 N ATOM 1047 CA LEU A 74 2.697 -28.838 9.269 1.00 0.00 C ATOM 1048 C LEU A 74 2.377 -27.569 8.485 1.00 0.00 C ATOM 1049 O LEU A 74 1.418 -27.529 7.715 1.00 0.00 O ATOM 1050 CB LEU A 74 3.788 -29.633 8.550 1.00 0.00 C ATOM 1051 CG LEU A 74 4.557 -30.642 9.405 1.00 0.00 C ATOM 1052 CD1 LEU A 74 5.621 -31.343 8.576 1.00 0.00 C ATOM 1053 CD2 LEU A 74 5.184 -29.952 10.608 1.00 0.00 C ATOM 0 H LEU A 74 1.428 -30.436 8.784 1.00 0.00 H new ATOM 0 HA LEU A 74 3.056 -28.552 10.258 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.331 -30.167 7.716 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.502 -28.928 8.124 1.00 0.00 H new ATOM 0 HG LEU A 74 3.855 -31.393 9.767 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.158 -32.057 9.201 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.148 -31.870 7.747 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.322 -30.605 8.184 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.727 -30.684 11.205 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.873 -29.180 10.266 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.401 -29.497 11.215 1.00 0.00 H new ATOM 1065 N GLU A 75 3.189 -26.536 8.686 1.00 0.00 N ATOM 1066 CA GLU A 75 2.993 -25.266 7.996 1.00 0.00 C ATOM 1067 C GLU A 75 4.332 -24.607 7.677 1.00 0.00 C ATOM 1068 O GLU A 75 5.173 -24.427 8.557 1.00 0.00 O ATOM 1069 CB GLU A 75 2.139 -24.324 8.848 1.00 0.00 C ATOM 1070 CG GLU A 75 1.115 -25.044 9.711 1.00 0.00 C ATOM 1071 CD GLU A 75 0.144 -24.091 10.381 1.00 0.00 C ATOM 1072 OE1 GLU A 75 -0.090 -22.996 9.827 1.00 0.00 O ATOM 1073 OE2 GLU A 75 -0.381 -24.439 11.459 1.00 0.00 O ATOM 0 H GLU A 75 3.988 -26.553 9.320 1.00 0.00 H new ATOM 0 HA GLU A 75 2.475 -25.468 7.059 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.793 -23.735 9.491 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.621 -23.624 8.193 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.558 -25.750 9.095 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.633 -25.625 10.474 1.00 0.00 H new ATOM 1080 N VAL A 76 4.522 -24.250 6.411 1.00 0.00 N ATOM 1081 CA VAL A 76 5.758 -23.611 5.974 1.00 0.00 C ATOM 1082 C VAL A 76 5.469 -22.402 5.091 1.00 0.00 C ATOM 1083 O VAL A 76 4.636 -22.465 4.187 1.00 0.00 O ATOM 1084 CB VAL A 76 6.656 -24.595 5.201 1.00 0.00 C ATOM 1085 CG1 VAL A 76 8.084 -24.076 5.134 1.00 0.00 C ATOM 1086 CG2 VAL A 76 6.610 -25.974 5.842 1.00 0.00 C ATOM 0 H VAL A 76 3.836 -24.392 5.670 1.00 0.00 H new ATOM 0 HA VAL A 76 6.280 -23.284 6.873 1.00 0.00 H new ATOM 0 HB VAL A 76 6.279 -24.680 4.182 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.703 -24.785 4.584 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.097 -23.112 4.626 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.476 -23.959 6.144 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.250 -26.657 5.283 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.961 -25.908 6.872 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.586 -26.346 5.831 1.00 0.00 H new ATOM 1096 N VAL A 77 6.164 -21.301 5.360 1.00 0.00 N ATOM 1097 CA VAL A 77 5.983 -20.077 4.589 1.00 0.00 C ATOM 1098 C VAL A 77 7.324 -19.425 4.271 1.00 0.00 C ATOM 1099 O VAL A 77 8.365 -19.843 4.779 1.00 0.00 O ATOM 1100 CB VAL A 77 5.098 -19.065 5.340 1.00 0.00 C ATOM 1101 CG1 VAL A 77 3.810 -19.726 5.807 1.00 0.00 C ATOM 1102 CG2 VAL A 77 5.856 -18.466 6.516 1.00 0.00 C ATOM 0 H VAL A 77 6.857 -21.232 6.105 1.00 0.00 H new ATOM 0 HA VAL A 77 5.489 -20.359 3.659 1.00 0.00 H new ATOM 0 HB VAL A 77 4.837 -18.258 4.656 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.197 -18.996 6.336 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.261 -20.104 4.944 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.047 -20.553 6.476 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.216 -17.753 7.036 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.148 -19.260 7.203 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.748 -17.955 6.152 1.00 0.00 H new ATOM 1112 N TYR A 78 7.292 -18.399 3.429 1.00 0.00 N ATOM 1113 CA TYR A 78 8.506 -17.689 3.042 1.00 0.00 C ATOM 1114 C TYR A 78 9.017 -16.819 4.186 1.00 0.00 C ATOM 1115 O TYR A 78 8.512 -15.721 4.419 1.00 0.00 O ATOM 1116 CB TYR A 78 8.245 -16.825 1.807 1.00 0.00 C ATOM 1117 CG TYR A 78 8.917 -17.340 0.554 1.00 0.00 C ATOM 1118 CD1 TYR A 78 10.295 -17.502 0.498 1.00 0.00 C ATOM 1119 CD2 TYR A 78 8.172 -17.667 -0.573 1.00 0.00 C ATOM 1120 CE1 TYR A 78 10.914 -17.972 -0.645 1.00 0.00 C ATOM 1121 CE2 TYR A 78 8.782 -18.138 -1.720 1.00 0.00 C ATOM 1122 CZ TYR A 78 10.153 -18.289 -1.751 1.00 0.00 C ATOM 1123 OH TYR A 78 10.764 -18.758 -2.891 1.00 0.00 O ATOM 0 H TYR A 78 6.439 -18.040 3.001 1.00 0.00 H new ATOM 0 HA TYR A 78 9.269 -18.430 2.804 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.170 -16.767 1.635 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.591 -15.810 2.004 1.00 0.00 H new ATOM 0 HD1 TYR A 78 10.894 -17.256 1.363 1.00 0.00 H new ATOM 0 HD2 TYR A 78 7.098 -17.551 -0.552 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.987 -18.090 -0.672 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.189 -18.387 -2.588 1.00 0.00 H new ATOM 0 HH TYR A 78 11.578 -19.246 -2.648 1.00 0.00 H new ATOM 1133 N SER A 79 10.023 -17.319 4.897 1.00 0.00 N ATOM 1134 CA SER A 79 10.602 -16.590 6.019 1.00 0.00 C ATOM 1135 C SER A 79 11.138 -15.235 5.568 1.00 0.00 C ATOM 1136 O SER A 79 11.943 -15.149 4.640 1.00 0.00 O ATOM 1137 CB SER A 79 11.724 -17.408 6.661 1.00 0.00 C ATOM 1138 OG SER A 79 11.862 -18.669 6.030 1.00 0.00 O ATOM 0 H SER A 79 10.454 -18.226 4.716 1.00 0.00 H new ATOM 0 HA SER A 79 9.817 -16.423 6.756 1.00 0.00 H new ATOM 0 HB2 SER A 79 12.663 -16.859 6.593 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.514 -17.550 7.721 1.00 0.00 H new ATOM 0 HG SER A 79 12.681 -19.105 6.346 1.00 0.00 H new ATOM 1144 N LYS A 80 10.686 -14.176 6.233 1.00 0.00 N ATOM 1145 CA LYS A 80 11.120 -12.824 5.903 1.00 0.00 C ATOM 1146 C LYS A 80 12.637 -12.700 5.998 1.00 0.00 C ATOM 1147 O LYS A 80 13.286 -12.186 5.087 1.00 0.00 O ATOM 1148 CB LYS A 80 10.456 -11.811 6.839 1.00 0.00 C ATOM 1149 CG LYS A 80 10.705 -12.089 8.311 1.00 0.00 C ATOM 1150 CD LYS A 80 9.852 -11.199 9.199 1.00 0.00 C ATOM 1151 CE LYS A 80 10.108 -11.472 10.673 1.00 0.00 C ATOM 1152 NZ LYS A 80 11.315 -10.754 11.168 1.00 0.00 N ATOM 0 H LYS A 80 10.020 -14.229 7.003 1.00 0.00 H new ATOM 0 HA LYS A 80 10.820 -12.614 4.876 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.823 -10.813 6.599 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.382 -11.809 6.655 1.00 0.00 H new ATOM 0 HG2 LYS A 80 10.487 -13.135 8.526 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.759 -11.929 8.539 1.00 0.00 H new ATOM 0 HD2 LYS A 80 10.065 -10.153 8.979 1.00 0.00 H new ATOM 0 HD3 LYS A 80 8.798 -11.363 8.975 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.239 -11.166 11.255 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.234 -12.544 10.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.456 -10.966 12.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.149 -11.064 10.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 11.185 -9.730 11.044 1.00 0.00 H new TER 1166 LYS A 80