USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 807 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 83 ASN : amide:sc= -1.02 K(o=0.4,f=-1.1!) USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= 0.637 USER MOD Set 1.3: A 98 SER OG : rot -16:sc= 0.786 USER MOD Set 2.1: A 79 ASN : amide:sc= -3.01! C(o=-5.5!,f=-7.5!) USER MOD Set 2.2: A 125 GLN :FLIP amide:sc= -2.53 F(o=-7.5!,f=-5.5) USER MOD Set 3.1: A 73 SER OG : rot -150:sc= -3.02! USER MOD Set 3.2: A 82 HIS : no HD1:sc= -4.63! C(o=-7.6!,f=-9.9!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN :FLIP amide:sc= -0.519 F(o=-1.6!,f=-0.52) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 118:sc= 0.775 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0406 USER MOD Single : A 33 TYR OH : rot 26:sc= 1.04 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -4.48! C(o=-4.5!,f=-5.7!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP no HE2:sc= -7.84! C(o=-8.8!,f=-7.8!) USER MOD Single : A 45 SER OG : rot -20:sc= 0.899 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -78:sc= 0.38 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0298 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.969 F(o=-2.3,f=-0.97) USER MOD Single : A 68 SER OG : rot -8:sc= -1.72! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0.0204 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot -146:sc= -1.6! USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 77:sc= 1.37 USER MOD Single : A 97 TYR OH : rot -114:sc= -2.32 USER MOD Single : A 100 ASN : amide:sc= -6.54 K(o=-6.5,f=-11!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -3.39 K(o=-3.4,f=-6.9!) USER MOD Single : A 109 SER OG : rot -140:sc= -6.48! USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.427 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 7 -34.333 1.353 2.591 1.00 0.00 N ATOM 2 CA ARG A 7 -33.780 0.065 2.184 1.00 0.00 C ATOM 3 C ARG A 7 -32.438 0.238 1.478 1.00 0.00 C ATOM 4 O ARG A 7 -32.355 0.168 0.252 1.00 0.00 O ATOM 5 CB ARG A 7 -34.761 -0.670 1.269 1.00 0.00 C ATOM 6 CG ARG A 7 -35.539 -1.770 1.972 1.00 0.00 C ATOM 7 CD ARG A 7 -36.969 -1.345 2.259 1.00 0.00 C ATOM 8 NE ARG A 7 -37.072 -0.566 3.490 1.00 0.00 N ATOM 9 CZ ARG A 7 -38.212 -0.371 4.145 1.00 0.00 C ATOM 10 NH1 ARG A 7 -38.224 0.349 5.259 1.00 0.00 N ATOM 11 NH2 ARG A 7 -39.340 -0.896 3.688 1.00 0.00 N ATOM 0 HA ARG A 7 -33.618 -0.528 3.084 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -35.464 0.050 0.850 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -34.211 -1.102 0.433 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -35.542 -2.667 1.353 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -35.041 -2.029 2.906 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -37.346 -0.755 1.424 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -37.602 -2.229 2.336 1.00 0.00 H new ATOM 0 HE ARG A 7 -36.222 -0.148 3.868 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -37.358 0.754 5.614 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -39.100 0.498 5.761 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -39.334 -1.451 2.832 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -40.214 -0.745 4.192 1.00 0.00 H new ATOM 25 N ARG A 8 -31.387 0.446 2.265 1.00 0.00 N ATOM 26 CA ARG A 8 -30.045 0.631 1.730 1.00 0.00 C ATOM 27 C ARG A 8 -29.191 -0.610 1.971 1.00 0.00 C ATOM 28 O ARG A 8 -29.668 -1.608 2.511 1.00 0.00 O ATOM 29 CB ARG A 8 -29.387 1.847 2.382 1.00 0.00 C ATOM 30 CG ARG A 8 -30.361 2.959 2.739 1.00 0.00 C ATOM 31 CD ARG A 8 -29.716 3.992 3.645 1.00 0.00 C ATOM 32 NE ARG A 8 -29.608 3.521 5.023 1.00 0.00 N ATOM 33 CZ ARG A 8 -28.771 4.042 5.915 1.00 0.00 C ATOM 34 NH1 ARG A 8 -28.731 3.560 7.150 1.00 0.00 N ATOM 35 NH2 ARG A 8 -27.975 5.045 5.573 1.00 0.00 N ATOM 0 H ARG A 8 -31.441 0.491 3.283 1.00 0.00 H new ATOM 0 HA ARG A 8 -30.123 0.795 0.655 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -28.870 1.526 3.286 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -28.630 2.244 1.706 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -30.714 3.442 1.828 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -31.235 2.534 3.233 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -28.723 4.236 3.267 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -30.301 4.911 3.621 1.00 0.00 H new ATOM 0 HE ARG A 8 -30.208 2.750 5.317 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -29.343 2.789 7.416 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -28.088 3.961 7.833 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -28.004 5.418 4.624 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -27.333 5.444 6.259 1.00 0.00 H new ATOM 49 N CYS A 9 -27.928 -0.541 1.566 1.00 0.00 N ATOM 50 CA CYS A 9 -26.998 -1.640 1.768 1.00 0.00 C ATOM 51 C CYS A 9 -26.533 -1.649 3.225 1.00 0.00 C ATOM 52 O CYS A 9 -26.948 -0.793 4.006 1.00 0.00 O ATOM 53 CB CYS A 9 -25.826 -1.486 0.800 1.00 0.00 C ATOM 54 SG CYS A 9 -26.254 -1.828 -0.937 1.00 0.00 S ATOM 0 H CYS A 9 -27.526 0.269 1.094 1.00 0.00 H new ATOM 0 HA CYS A 9 -27.482 -2.595 1.566 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -25.437 -0.471 0.875 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -25.024 -2.158 1.106 1.00 0.00 H new ATOM 59 N PRO A 10 -25.729 -2.642 3.647 1.00 0.00 N ATOM 60 CA PRO A 10 -25.250 -2.727 5.012 1.00 0.00 C ATOM 61 C PRO A 10 -23.917 -2.019 5.191 1.00 0.00 C ATOM 62 O PRO A 10 -23.336 -1.521 4.227 1.00 0.00 O ATOM 63 CB PRO A 10 -25.095 -4.232 5.221 1.00 0.00 C ATOM 64 CG PRO A 10 -24.934 -4.822 3.850 1.00 0.00 C ATOM 65 CD PRO A 10 -25.152 -3.718 2.843 1.00 0.00 C ATOM 0 HA PRO A 10 -25.922 -2.249 5.725 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -24.229 -4.453 5.846 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -25.967 -4.648 5.726 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -23.940 -5.253 3.734 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -25.651 -5.628 3.694 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -24.218 -3.412 2.372 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -25.825 -4.029 2.044 1.00 0.00 H new ATOM 73 N SER A 11 -23.434 -1.977 6.425 1.00 0.00 N ATOM 74 CA SER A 11 -22.159 -1.338 6.717 1.00 0.00 C ATOM 75 C SER A 11 -21.065 -1.907 5.821 1.00 0.00 C ATOM 76 O SER A 11 -20.631 -3.044 6.010 1.00 0.00 O ATOM 77 CB SER A 11 -21.786 -1.537 8.188 1.00 0.00 C ATOM 78 OG SER A 11 -20.621 -0.804 8.524 1.00 0.00 O ATOM 0 H SER A 11 -23.904 -2.376 7.237 1.00 0.00 H new ATOM 0 HA SER A 11 -22.256 -0.270 6.521 1.00 0.00 H new ATOM 0 HB2 SER A 11 -22.614 -1.220 8.822 1.00 0.00 H new ATOM 0 HB3 SER A 11 -21.622 -2.597 8.384 1.00 0.00 H new ATOM 0 HG SER A 11 -20.406 -0.947 9.469 1.00 0.00 H new ATOM 84 N PRO A 12 -20.624 -1.144 4.806 1.00 0.00 N ATOM 85 CA PRO A 12 -19.584 -1.603 3.885 1.00 0.00 C ATOM 86 C PRO A 12 -18.344 -2.078 4.625 1.00 0.00 C ATOM 87 O PRO A 12 -17.954 -1.499 5.639 1.00 0.00 O ATOM 88 CB PRO A 12 -19.269 -0.370 3.045 1.00 0.00 C ATOM 89 CG PRO A 12 -20.498 0.468 3.123 1.00 0.00 C ATOM 90 CD PRO A 12 -21.073 0.226 4.491 1.00 0.00 C ATOM 0 HA PRO A 12 -19.912 -2.455 3.290 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -18.402 0.163 3.435 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -19.040 -0.641 2.014 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -20.262 1.522 2.979 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -21.210 0.191 2.345 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -20.702 0.949 5.218 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -22.160 0.304 4.491 1.00 0.00 H new ATOM 98 N ARG A 13 -17.728 -3.136 4.116 1.00 0.00 N ATOM 99 CA ARG A 13 -16.544 -3.700 4.749 1.00 0.00 C ATOM 100 C ARG A 13 -15.521 -2.630 5.066 1.00 0.00 C ATOM 101 O ARG A 13 -15.024 -1.925 4.189 1.00 0.00 O ATOM 102 CB ARG A 13 -15.921 -4.782 3.887 1.00 0.00 C ATOM 103 CG ARG A 13 -16.310 -6.181 4.323 1.00 0.00 C ATOM 104 CD ARG A 13 -15.131 -7.130 4.239 1.00 0.00 C ATOM 105 NE ARG A 13 -14.813 -7.730 5.532 1.00 0.00 N ATOM 106 CZ ARG A 13 -15.482 -8.753 6.054 1.00 0.00 C ATOM 107 NH1 ARG A 13 -15.130 -9.244 7.235 1.00 0.00 N ATOM 108 NH2 ARG A 13 -16.501 -9.287 5.395 1.00 0.00 N ATOM 0 H ARG A 13 -18.027 -3.620 3.269 1.00 0.00 H new ATOM 0 HA ARG A 13 -16.867 -4.151 5.687 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -16.223 -4.633 2.850 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -14.836 -4.685 3.919 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -16.686 -6.154 5.346 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -17.121 -6.548 3.694 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -15.352 -7.918 3.519 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -14.260 -6.592 3.866 1.00 0.00 H new ATOM 0 HE ARG A 13 -14.034 -7.342 6.064 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -14.345 -8.836 7.743 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -15.644 -10.029 7.635 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -16.773 -8.913 4.486 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -17.013 -10.072 5.797 1.00 0.00 H new ATOM 122 N ASP A 14 -15.224 -2.551 6.343 1.00 0.00 N ATOM 123 CA ASP A 14 -14.305 -1.579 6.903 1.00 0.00 C ATOM 124 C ASP A 14 -12.910 -1.681 6.309 1.00 0.00 C ATOM 125 O ASP A 14 -12.171 -0.702 6.250 1.00 0.00 O ATOM 126 CB ASP A 14 -14.245 -1.832 8.402 1.00 0.00 C ATOM 127 CG ASP A 14 -13.423 -3.055 8.777 1.00 0.00 C ATOM 128 OD1 ASP A 14 -13.646 -4.127 8.177 1.00 0.00 O ATOM 129 OD2 ASP A 14 -12.559 -2.937 9.671 1.00 0.00 O ATOM 0 H ASP A 14 -15.624 -3.177 7.042 1.00 0.00 H new ATOM 0 HA ASP A 14 -14.664 -0.576 6.672 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.823 -0.956 8.894 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.259 -1.954 8.783 1.00 0.00 H new ATOM 134 N ILE A 15 -12.559 -2.898 5.961 1.00 0.00 N ATOM 135 CA ILE A 15 -11.227 -3.242 5.456 1.00 0.00 C ATOM 136 C ILE A 15 -10.144 -2.875 6.463 1.00 0.00 C ATOM 137 O ILE A 15 -10.229 -1.849 7.138 1.00 0.00 O ATOM 138 CB ILE A 15 -10.899 -2.609 4.083 1.00 0.00 C ATOM 139 CG1 ILE A 15 -9.736 -3.369 3.449 1.00 0.00 C ATOM 140 CG2 ILE A 15 -10.554 -1.124 4.181 1.00 0.00 C ATOM 141 CD1 ILE A 15 -9.319 -2.816 2.111 1.00 0.00 C ATOM 0 H ILE A 15 -13.192 -3.696 6.017 1.00 0.00 H new ATOM 0 HA ILE A 15 -11.244 -4.322 5.312 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.793 -2.684 3.464 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.882 -3.343 4.126 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.017 -4.415 3.330 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.333 -0.735 3.187 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -11.400 -0.581 4.603 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.683 -0.994 4.823 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.489 -3.403 1.718 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -10.159 -2.867 1.419 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -9.007 -1.778 2.228 1.00 0.00 H new ATOM 153 N ASP A 16 -9.125 -3.718 6.561 1.00 0.00 N ATOM 154 CA ASP A 16 -8.017 -3.459 7.462 1.00 0.00 C ATOM 155 C ASP A 16 -6.908 -2.728 6.725 1.00 0.00 C ATOM 156 O ASP A 16 -6.856 -2.732 5.495 1.00 0.00 O ATOM 157 CB ASP A 16 -7.469 -4.758 8.054 1.00 0.00 C ATOM 158 CG ASP A 16 -8.533 -5.826 8.231 1.00 0.00 C ATOM 159 OD1 ASP A 16 -8.173 -7.021 8.279 1.00 0.00 O ATOM 160 OD2 ASP A 16 -9.726 -5.466 8.324 1.00 0.00 O ATOM 0 H ASP A 16 -9.045 -4.584 6.028 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.386 -2.838 8.278 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.681 -5.142 7.406 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -7.011 -4.546 9.020 1.00 0.00 H new ATOM 165 N ASN A 17 -6.037 -2.084 7.482 1.00 0.00 N ATOM 166 CA ASN A 17 -4.925 -1.342 6.905 1.00 0.00 C ATOM 167 C ASN A 17 -5.409 -0.394 5.808 1.00 0.00 C ATOM 168 O ASN A 17 -4.648 -0.026 4.913 1.00 0.00 O ATOM 169 CB ASN A 17 -3.870 -2.297 6.329 1.00 0.00 C ATOM 170 CG ASN A 17 -3.820 -3.639 7.040 1.00 0.00 C ATOM 171 OD1 ASN A 17 -4.083 -3.634 8.342 1.00 0.00 O flip ATOM 172 ND2 ASN A 17 -3.547 -4.669 6.424 1.00 0.00 N flip ATOM 0 H ASN A 17 -6.077 -2.059 8.501 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.474 -0.755 7.705 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -4.078 -2.462 5.272 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.890 -1.824 6.391 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.351 -4.628 5.424 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.516 -5.563 6.914 1.00 0.00 H new ATOM 179 N GLY A 18 -6.682 -0.011 5.876 1.00 0.00 N ATOM 180 CA GLY A 18 -7.245 0.882 4.877 1.00 0.00 C ATOM 181 C GLY A 18 -8.420 1.685 5.406 1.00 0.00 C ATOM 182 O GLY A 18 -8.820 1.527 6.560 1.00 0.00 O ATOM 0 H GLY A 18 -7.333 -0.303 6.605 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.471 1.565 4.528 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.567 0.299 4.014 1.00 0.00 H new ATOM 186 N GLN A 19 -8.961 2.564 4.564 1.00 0.00 N ATOM 187 CA GLN A 19 -10.096 3.400 4.946 1.00 0.00 C ATOM 188 C GLN A 19 -11.102 3.489 3.804 1.00 0.00 C ATOM 189 O GLN A 19 -10.722 3.570 2.635 1.00 0.00 O ATOM 190 CB GLN A 19 -9.639 4.814 5.335 1.00 0.00 C ATOM 191 CG GLN A 19 -8.183 4.910 5.766 1.00 0.00 C ATOM 192 CD GLN A 19 -7.976 5.890 6.905 1.00 0.00 C ATOM 193 OE1 GLN A 19 -8.339 7.062 6.803 1.00 0.00 O ATOM 194 NE2 GLN A 19 -7.389 5.415 7.997 1.00 0.00 N ATOM 0 H GLN A 19 -8.630 2.715 3.611 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.570 2.936 5.811 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.798 5.480 4.487 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.270 5.176 6.147 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.832 3.924 6.071 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.575 5.215 4.914 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.104 4.436 8.038 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.223 6.029 8.795 1.00 0.00 H new ATOM 203 N LEU A 20 -12.383 3.491 4.148 1.00 0.00 N ATOM 204 CA LEU A 20 -13.442 3.554 3.151 1.00 0.00 C ATOM 205 C LEU A 20 -13.823 4.991 2.824 1.00 0.00 C ATOM 206 O LEU A 20 -13.640 5.899 3.635 1.00 0.00 O ATOM 207 CB LEU A 20 -14.674 2.803 3.643 1.00 0.00 C ATOM 208 CG LEU A 20 -14.536 1.286 3.634 1.00 0.00 C ATOM 209 CD1 LEU A 20 -15.741 0.642 4.282 1.00 0.00 C ATOM 210 CD2 LEU A 20 -13.266 0.868 4.348 1.00 0.00 C ATOM 0 H LEU A 20 -12.714 3.450 5.112 1.00 0.00 H new ATOM 0 HA LEU A 20 -13.063 3.086 2.242 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.900 3.128 4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -15.525 3.081 3.022 1.00 0.00 H new ATOM 0 HG LEU A 20 -14.479 0.950 2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -15.626 -0.442 4.267 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.826 0.984 5.314 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.641 0.919 3.733 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.181 -0.219 4.333 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.404 1.306 3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.298 1.216 5.381 1.00 0.00 H new ATOM 222 N ASP A 21 -14.373 5.179 1.632 1.00 0.00 N ATOM 223 CA ASP A 21 -14.846 6.487 1.195 1.00 0.00 C ATOM 224 C ASP A 21 -16.307 6.384 0.784 1.00 0.00 C ATOM 225 O ASP A 21 -16.630 6.364 -0.404 1.00 0.00 O ATOM 226 CB ASP A 21 -14.009 7.005 0.026 1.00 0.00 C ATOM 227 CG ASP A 21 -13.915 8.519 0.008 1.00 0.00 C ATOM 228 OD1 ASP A 21 -13.131 9.056 -0.802 1.00 0.00 O ATOM 229 OD2 ASP A 21 -14.628 9.167 0.803 1.00 0.00 O ATOM 0 H ASP A 21 -14.504 4.436 0.945 1.00 0.00 H new ATOM 0 HA ASP A 21 -14.747 7.191 2.022 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.006 6.582 0.085 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.446 6.660 -0.911 1.00 0.00 H new ATOM 234 N ILE A 22 -17.176 6.245 1.778 1.00 0.00 N ATOM 235 CA ILE A 22 -18.601 6.059 1.534 1.00 0.00 C ATOM 236 C ILE A 22 -19.285 7.358 1.135 1.00 0.00 C ATOM 237 O ILE A 22 -19.540 8.224 1.971 1.00 0.00 O ATOM 238 CB ILE A 22 -19.325 5.478 2.769 1.00 0.00 C ATOM 239 CG1 ILE A 22 -18.395 4.543 3.553 1.00 0.00 C ATOM 240 CG2 ILE A 22 -20.588 4.747 2.339 1.00 0.00 C ATOM 241 CD1 ILE A 22 -19.100 3.688 4.585 1.00 0.00 C ATOM 0 H ILE A 22 -16.917 6.258 2.765 1.00 0.00 H new ATOM 0 HA ILE A 22 -18.671 5.350 0.709 1.00 0.00 H new ATOM 0 HB ILE A 22 -19.607 6.300 3.427 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -17.877 3.891 2.850 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -17.633 5.142 4.053 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -21.090 4.341 3.217 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -21.255 5.442 1.828 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -20.325 3.933 1.663 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -18.371 3.057 5.094 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -19.595 4.331 5.313 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -19.842 3.060 4.092 1.00 0.00 H new ATOM 253 N GLY A 23 -19.608 7.470 -0.147 1.00 0.00 N ATOM 254 CA GLY A 23 -20.326 8.630 -0.632 1.00 0.00 C ATOM 255 C GLY A 23 -21.802 8.333 -0.837 1.00 0.00 C ATOM 256 O GLY A 23 -22.516 9.108 -1.473 1.00 0.00 O ATOM 0 H GLY A 23 -19.384 6.776 -0.860 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -20.215 9.450 0.078 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -19.888 8.962 -1.573 1.00 0.00 H new ATOM 260 N GLY A 24 -22.257 7.201 -0.295 1.00 0.00 N ATOM 261 CA GLY A 24 -23.647 6.811 -0.435 1.00 0.00 C ATOM 262 C GLY A 24 -23.839 5.316 -0.259 1.00 0.00 C ATOM 263 O GLY A 24 -23.091 4.519 -0.823 1.00 0.00 O ATOM 0 H GLY A 24 -21.683 6.549 0.239 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -24.249 7.343 0.302 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -24.010 7.110 -1.418 1.00 0.00 H new ATOM 267 N VAL A 25 -24.834 4.935 0.537 1.00 0.00 N ATOM 268 CA VAL A 25 -25.107 3.525 0.801 1.00 0.00 C ATOM 269 C VAL A 25 -26.436 3.072 0.196 1.00 0.00 C ATOM 270 O VAL A 25 -26.892 1.959 0.458 1.00 0.00 O ATOM 271 CB VAL A 25 -25.131 3.241 2.314 1.00 0.00 C ATOM 272 CG1 VAL A 25 -23.730 3.338 2.899 1.00 0.00 C ATOM 273 CG2 VAL A 25 -26.078 4.200 3.019 1.00 0.00 C ATOM 0 H VAL A 25 -25.464 5.582 1.010 1.00 0.00 H new ATOM 0 HA VAL A 25 -24.299 2.964 0.331 1.00 0.00 H new ATOM 0 HB VAL A 25 -25.494 2.225 2.470 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -23.768 3.134 3.969 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -23.082 2.609 2.413 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -23.336 4.341 2.734 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -26.083 3.986 4.088 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -25.746 5.225 2.856 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -27.085 4.077 2.619 1.00 0.00 H new ATOM 283 N ASP A 26 -27.052 3.927 -0.618 1.00 0.00 N ATOM 284 CA ASP A 26 -28.329 3.597 -1.243 1.00 0.00 C ATOM 285 C ASP A 26 -28.154 2.562 -2.350 1.00 0.00 C ATOM 286 O ASP A 26 -27.076 2.434 -2.929 1.00 0.00 O ATOM 287 CB ASP A 26 -28.980 4.856 -1.815 1.00 0.00 C ATOM 288 CG ASP A 26 -29.295 5.883 -0.746 1.00 0.00 C ATOM 289 OD1 ASP A 26 -29.797 5.488 0.327 1.00 0.00 O ATOM 290 OD2 ASP A 26 -29.042 7.083 -0.982 1.00 0.00 O ATOM 0 H ASP A 26 -26.689 4.849 -0.859 1.00 0.00 H new ATOM 0 HA ASP A 26 -28.974 3.172 -0.474 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -28.316 5.300 -2.556 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -29.899 4.583 -2.334 1.00 0.00 H new ATOM 295 N PHE A 27 -29.229 1.836 -2.647 1.00 0.00 N ATOM 296 CA PHE A 27 -29.205 0.817 -3.691 1.00 0.00 C ATOM 297 C PHE A 27 -28.732 1.406 -5.013 1.00 0.00 C ATOM 298 O PHE A 27 -29.531 1.914 -5.800 1.00 0.00 O ATOM 299 CB PHE A 27 -30.596 0.205 -3.861 1.00 0.00 C ATOM 300 CG PHE A 27 -30.684 -0.816 -4.962 1.00 0.00 C ATOM 301 CD1 PHE A 27 -31.839 -0.931 -5.718 1.00 0.00 C ATOM 302 CD2 PHE A 27 -29.621 -1.667 -5.234 1.00 0.00 C ATOM 303 CE1 PHE A 27 -31.933 -1.868 -6.728 1.00 0.00 C ATOM 304 CE2 PHE A 27 -29.711 -2.608 -6.244 1.00 0.00 C ATOM 305 CZ PHE A 27 -30.870 -2.707 -6.991 1.00 0.00 C ATOM 0 H PHE A 27 -30.129 1.935 -2.178 1.00 0.00 H new ATOM 0 HA PHE A 27 -28.505 0.038 -3.391 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -30.894 -0.262 -2.922 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -31.311 1.003 -4.061 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -32.676 -0.280 -5.515 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -28.715 -1.593 -4.651 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -32.838 -1.944 -7.312 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -28.878 -3.264 -6.448 1.00 0.00 H new ATOM 0 HZ PHE A 27 -30.943 -3.441 -7.780 1.00 0.00 H new ATOM 315 N GLY A 28 -27.428 1.339 -5.247 1.00 0.00 N ATOM 316 CA GLY A 28 -26.867 1.874 -6.470 1.00 0.00 C ATOM 317 C GLY A 28 -25.675 2.779 -6.214 1.00 0.00 C ATOM 318 O GLY A 28 -24.889 3.050 -7.121 1.00 0.00 O ATOM 0 H GLY A 28 -26.749 0.923 -4.610 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -26.562 1.051 -7.117 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -27.635 2.432 -7.005 1.00 0.00 H new ATOM 322 N SER A 29 -25.545 3.253 -4.977 1.00 0.00 N ATOM 323 CA SER A 29 -24.441 4.132 -4.609 1.00 0.00 C ATOM 324 C SER A 29 -23.099 3.468 -4.897 1.00 0.00 C ATOM 325 O SER A 29 -23.045 2.387 -5.484 1.00 0.00 O ATOM 326 CB SER A 29 -24.532 4.502 -3.128 1.00 0.00 C ATOM 327 OG SER A 29 -24.599 3.343 -2.315 1.00 0.00 O ATOM 0 H SER A 29 -26.190 3.043 -4.215 1.00 0.00 H new ATOM 0 HA SER A 29 -24.513 5.039 -5.209 1.00 0.00 H new ATOM 0 HB2 SER A 29 -23.665 5.099 -2.845 1.00 0.00 H new ATOM 0 HB3 SER A 29 -25.413 5.120 -2.958 1.00 0.00 H new ATOM 0 HG SER A 29 -23.820 3.314 -1.721 1.00 0.00 H new ATOM 333 N SER A 30 -22.015 4.120 -4.485 1.00 0.00 N ATOM 334 CA SER A 30 -20.678 3.582 -4.704 1.00 0.00 C ATOM 335 C SER A 30 -19.711 4.042 -3.615 1.00 0.00 C ATOM 336 O SER A 30 -19.871 5.121 -3.044 1.00 0.00 O ATOM 337 CB SER A 30 -20.156 4.006 -6.078 1.00 0.00 C ATOM 338 OG SER A 30 -20.078 5.417 -6.183 1.00 0.00 O ATOM 0 H SER A 30 -22.037 5.017 -4.000 1.00 0.00 H new ATOM 0 HA SER A 30 -20.744 2.495 -4.664 1.00 0.00 H new ATOM 0 HB2 SER A 30 -19.171 3.571 -6.246 1.00 0.00 H new ATOM 0 HB3 SER A 30 -20.813 3.616 -6.856 1.00 0.00 H new ATOM 0 HG SER A 30 -19.740 5.661 -7.070 1.00 0.00 H new ATOM 344 N ILE A 31 -18.705 3.216 -3.335 1.00 0.00 N ATOM 345 CA ILE A 31 -17.703 3.542 -2.321 1.00 0.00 C ATOM 346 C ILE A 31 -16.305 3.561 -2.929 1.00 0.00 C ATOM 347 O ILE A 31 -16.090 3.064 -4.034 1.00 0.00 O ATOM 348 CB ILE A 31 -17.696 2.543 -1.133 1.00 0.00 C ATOM 349 CG1 ILE A 31 -18.958 1.683 -1.100 1.00 0.00 C ATOM 350 CG2 ILE A 31 -17.552 3.291 0.177 1.00 0.00 C ATOM 351 CD1 ILE A 31 -19.031 0.775 0.105 1.00 0.00 C ATOM 0 H ILE A 31 -18.562 2.317 -3.795 1.00 0.00 H new ATOM 0 HA ILE A 31 -17.976 4.528 -1.944 1.00 0.00 H new ATOM 0 HB ILE A 31 -16.844 1.878 -1.273 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -19.833 2.333 -1.110 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -19.001 1.078 -2.005 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -17.548 2.580 1.003 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -16.617 3.851 0.176 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -18.387 3.981 0.296 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -19.951 0.192 0.066 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -18.175 0.101 0.105 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -19.020 1.376 1.014 1.00 0.00 H new ATOM 363 N THR A 32 -15.350 4.101 -2.180 1.00 0.00 N ATOM 364 CA THR A 32 -13.963 4.148 -2.627 1.00 0.00 C ATOM 365 C THR A 32 -13.032 3.610 -1.546 1.00 0.00 C ATOM 366 O THR A 32 -12.832 4.249 -0.513 1.00 0.00 O ATOM 367 CB THR A 32 -13.568 5.578 -2.998 1.00 0.00 C ATOM 368 OG1 THR A 32 -14.708 6.333 -3.368 1.00 0.00 O ATOM 369 CG2 THR A 32 -12.578 5.646 -4.139 1.00 0.00 C ATOM 0 H THR A 32 -15.511 4.512 -1.261 1.00 0.00 H new ATOM 0 HA THR A 32 -13.869 3.518 -3.512 1.00 0.00 H new ATOM 0 HB THR A 32 -13.097 5.990 -2.106 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.435 7.245 -3.600 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.340 6.688 -4.352 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.667 5.115 -3.863 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.013 5.184 -5.026 1.00 0.00 H new ATOM 377 N TYR A 33 -12.478 2.424 -1.781 1.00 0.00 N ATOM 378 CA TYR A 33 -11.583 1.796 -0.817 1.00 0.00 C ATOM 379 C TYR A 33 -10.156 2.301 -0.982 1.00 0.00 C ATOM 380 O TYR A 33 -9.699 2.547 -2.098 1.00 0.00 O ATOM 381 CB TYR A 33 -11.625 0.275 -0.969 1.00 0.00 C ATOM 382 CG TYR A 33 -12.808 -0.359 -0.283 1.00 0.00 C ATOM 383 CD1 TYR A 33 -12.661 -1.005 0.936 1.00 0.00 C ATOM 384 CD2 TYR A 33 -14.076 -0.292 -0.844 1.00 0.00 C ATOM 385 CE1 TYR A 33 -13.743 -1.580 1.574 1.00 0.00 C ATOM 386 CE2 TYR A 33 -15.164 -0.865 -0.213 1.00 0.00 C ATOM 387 CZ TYR A 33 -14.993 -1.507 0.996 1.00 0.00 C ATOM 388 OH TYR A 33 -16.074 -2.078 1.627 1.00 0.00 O ATOM 0 H TYR A 33 -12.633 1.880 -2.630 1.00 0.00 H new ATOM 0 HA TYR A 33 -11.923 2.063 0.183 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -11.650 0.023 -2.029 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -10.707 -0.150 -0.562 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -11.684 -1.059 1.394 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -14.214 0.215 -1.787 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -13.611 -2.084 2.520 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -16.144 -0.810 -0.664 1.00 0.00 H new ATOM 0 HH TYR A 33 -15.907 -2.115 2.592 1.00 0.00 H new ATOM 398 N SER A 34 -9.457 2.459 0.137 1.00 0.00 N ATOM 399 CA SER A 34 -8.083 2.943 0.113 1.00 0.00 C ATOM 400 C SER A 34 -7.293 2.419 1.307 1.00 0.00 C ATOM 401 O SER A 34 -7.865 2.059 2.335 1.00 0.00 O ATOM 402 CB SER A 34 -8.063 4.473 0.106 1.00 0.00 C ATOM 403 OG SER A 34 -7.583 4.972 -1.130 1.00 0.00 O ATOM 0 H SER A 34 -9.819 2.259 1.069 1.00 0.00 H new ATOM 0 HA SER A 34 -7.612 2.572 -0.797 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.068 4.854 0.290 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.432 4.835 0.918 1.00 0.00 H new ATOM 0 HG SER A 34 -7.582 5.952 -1.109 1.00 0.00 H new ATOM 409 N CYS A 35 -5.973 2.385 1.161 1.00 0.00 N ATOM 410 CA CYS A 35 -5.095 1.912 2.223 1.00 0.00 C ATOM 411 C CYS A 35 -4.800 3.026 3.219 1.00 0.00 C ATOM 412 O CYS A 35 -4.979 4.206 2.918 1.00 0.00 O ATOM 413 CB CYS A 35 -3.788 1.387 1.628 1.00 0.00 C ATOM 414 SG CYS A 35 -3.899 -0.302 0.956 1.00 0.00 S ATOM 0 H CYS A 35 -5.487 2.681 0.314 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.601 1.103 2.750 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.466 2.061 0.834 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.016 1.410 2.398 1.00 0.00 H new ATOM 419 N ASN A 36 -4.342 2.642 4.404 1.00 0.00 N ATOM 420 CA ASN A 36 -4.037 3.613 5.454 1.00 0.00 C ATOM 421 C ASN A 36 -3.039 4.664 4.964 1.00 0.00 C ATOM 422 O ASN A 36 -3.433 5.714 4.457 1.00 0.00 O ATOM 423 CB ASN A 36 -3.501 2.918 6.714 1.00 0.00 C ATOM 424 CG ASN A 36 -2.688 1.671 6.415 1.00 0.00 C ATOM 425 OD1 ASN A 36 -1.965 1.611 5.420 1.00 0.00 O ATOM 426 ND2 ASN A 36 -2.785 0.680 7.289 1.00 0.00 N ATOM 0 H ASN A 36 -4.173 1.670 4.664 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.969 4.118 5.710 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.883 3.621 7.272 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.340 2.651 7.357 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.248 -0.176 7.151 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.397 0.773 8.100 1.00 0.00 H new ATOM 433 N SER A 37 -1.750 4.384 5.133 1.00 0.00 N ATOM 434 CA SER A 37 -0.702 5.306 4.712 1.00 0.00 C ATOM 435 C SER A 37 0.574 4.545 4.371 1.00 0.00 C ATOM 436 O SER A 37 0.977 3.633 5.094 1.00 0.00 O ATOM 437 CB SER A 37 -0.422 6.331 5.813 1.00 0.00 C ATOM 438 OG SER A 37 0.906 6.820 5.733 1.00 0.00 O ATOM 0 H SER A 37 -1.406 3.524 5.560 1.00 0.00 H new ATOM 0 HA SER A 37 -1.044 5.831 3.820 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.124 7.161 5.728 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.586 5.874 6.789 1.00 0.00 H new ATOM 0 HG SER A 37 1.057 7.474 6.447 1.00 0.00 H new ATOM 444 N GLY A 38 1.205 4.924 3.267 1.00 0.00 N ATOM 445 CA GLY A 38 2.415 4.252 2.837 1.00 0.00 C ATOM 446 C GLY A 38 2.165 2.803 2.463 1.00 0.00 C ATOM 447 O GLY A 38 3.098 2.002 2.395 1.00 0.00 O ATOM 0 H GLY A 38 0.900 5.686 2.661 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.836 4.779 1.981 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.156 4.297 3.635 1.00 0.00 H new ATOM 451 N TYR A 39 0.901 2.466 2.224 1.00 0.00 N ATOM 452 CA TYR A 39 0.523 1.109 1.861 1.00 0.00 C ATOM 453 C TYR A 39 0.154 1.027 0.384 1.00 0.00 C ATOM 454 O TYR A 39 0.313 1.996 -0.359 1.00 0.00 O ATOM 455 CB TYR A 39 -0.661 0.656 2.717 1.00 0.00 C ATOM 456 CG TYR A 39 -0.257 -0.116 3.951 1.00 0.00 C ATOM 457 CD1 TYR A 39 0.873 0.239 4.675 1.00 0.00 C ATOM 458 CD2 TYR A 39 -1.007 -1.198 4.390 1.00 0.00 C ATOM 459 CE1 TYR A 39 1.246 -0.467 5.804 1.00 0.00 C ATOM 460 CE2 TYR A 39 -0.640 -1.910 5.516 1.00 0.00 C ATOM 461 CZ TYR A 39 0.486 -1.540 6.220 1.00 0.00 C ATOM 462 OH TYR A 39 0.854 -2.245 7.343 1.00 0.00 O ATOM 0 H TYR A 39 0.120 3.120 2.276 1.00 0.00 H new ATOM 0 HA TYR A 39 1.374 0.453 2.041 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.236 1.531 3.019 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.320 0.035 2.110 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.470 1.079 4.352 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.892 -1.488 3.843 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.128 -0.180 6.357 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.232 -2.752 5.843 1.00 0.00 H new ATOM 0 HH TYR A 39 0.212 -2.969 7.500 1.00 0.00 H new ATOM 472 N HIS A 40 -0.340 -0.132 -0.036 1.00 0.00 N ATOM 473 CA HIS A 40 -0.752 -0.324 -1.420 1.00 0.00 C ATOM 474 C HIS A 40 -1.935 -1.282 -1.505 1.00 0.00 C ATOM 475 O HIS A 40 -1.814 -2.467 -1.196 1.00 0.00 O ATOM 476 CB HIS A 40 0.418 -0.832 -2.273 1.00 0.00 C ATOM 477 CG HIS A 40 0.721 -2.291 -2.104 1.00 0.00 C ATOM 478 ND1 HIS A 40 0.789 -3.062 -0.994 1.00 0.00 N flip ATOM 479 CD2 HIS A 40 1.006 -3.126 -3.165 1.00 0.00 C flip ATOM 480 CE1 HIS A 40 1.108 -4.334 -1.400 1.00 0.00 C flip ATOM 481 NE2 HIS A 40 1.234 -4.347 -2.714 1.00 0.00 N flip ATOM 0 H HIS A 40 -0.464 -0.950 0.560 1.00 0.00 H new ATOM 0 HA HIS A 40 -1.066 0.642 -1.815 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.197 -0.639 -3.323 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.310 -0.257 -2.024 1.00 0.00 H new ATOM 0 HD1 HIS A 40 0.632 -2.755 -0.034 1.00 0.00 H new ATOM 0 HD2 HIS A 40 1.038 -2.828 -4.203 1.00 0.00 H new ATOM 0 HE1 HIS A 40 1.235 -5.187 -0.749 1.00 0.00 H new ATOM 490 N LEU A 41 -3.083 -0.750 -1.902 1.00 0.00 N ATOM 491 CA LEU A 41 -4.294 -1.544 -2.029 1.00 0.00 C ATOM 492 C LEU A 41 -4.268 -2.347 -3.323 1.00 0.00 C ATOM 493 O LEU A 41 -4.072 -1.793 -4.404 1.00 0.00 O ATOM 494 CB LEU A 41 -5.525 -0.634 -1.988 1.00 0.00 C ATOM 495 CG LEU A 41 -6.832 -1.276 -2.456 1.00 0.00 C ATOM 496 CD1 LEU A 41 -7.996 -0.791 -1.605 1.00 0.00 C ATOM 497 CD2 LEU A 41 -7.077 -0.968 -3.924 1.00 0.00 C ATOM 0 H LEU A 41 -3.199 0.234 -2.143 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.347 -2.241 -1.193 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.660 -0.280 -0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.329 0.242 -2.606 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.750 -2.357 -2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.919 -1.257 -1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.822 -1.060 -0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.083 0.292 -1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.011 -1.432 -4.242 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.142 0.111 -4.063 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.254 -1.362 -4.521 1.00 0.00 H new ATOM 509 N ILE A 42 -4.444 -3.657 -3.204 1.00 0.00 N ATOM 510 CA ILE A 42 -4.420 -4.533 -4.368 1.00 0.00 C ATOM 511 C ILE A 42 -5.831 -4.855 -4.839 1.00 0.00 C ATOM 512 O ILE A 42 -6.809 -4.585 -4.142 1.00 0.00 O ATOM 513 CB ILE A 42 -3.672 -5.853 -4.083 1.00 0.00 C ATOM 514 CG1 ILE A 42 -2.528 -5.626 -3.090 1.00 0.00 C ATOM 515 CG2 ILE A 42 -3.136 -6.439 -5.378 1.00 0.00 C ATOM 516 CD1 ILE A 42 -1.570 -4.537 -3.519 1.00 0.00 C ATOM 0 H ILE A 42 -4.604 -4.135 -2.317 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.887 -3.993 -5.150 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.375 -6.558 -3.639 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.947 -5.369 -2.117 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.976 -6.557 -2.964 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.610 -7.370 -5.166 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.964 -6.637 -6.058 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.448 -5.731 -5.841 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.784 -4.428 -2.771 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.124 -4.802 -4.478 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.110 -3.595 -3.618 1.00 0.00 H new ATOM 528 N GLY A 43 -5.928 -5.428 -6.032 1.00 0.00 N ATOM 529 CA GLY A 43 -7.224 -5.777 -6.585 1.00 0.00 C ATOM 530 C GLY A 43 -8.063 -4.557 -6.910 1.00 0.00 C ATOM 531 O GLY A 43 -7.595 -3.631 -7.573 1.00 0.00 O ATOM 0 H GLY A 43 -5.132 -5.658 -6.627 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.082 -6.368 -7.490 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.762 -6.405 -5.875 1.00 0.00 H new ATOM 535 N GLU A 44 -9.308 -4.557 -6.443 1.00 0.00 N ATOM 536 CA GLU A 44 -10.217 -3.441 -6.687 1.00 0.00 C ATOM 537 C GLU A 44 -9.994 -2.325 -5.672 1.00 0.00 C ATOM 538 O GLU A 44 -9.129 -2.427 -4.804 1.00 0.00 O ATOM 539 CB GLU A 44 -11.671 -3.915 -6.626 1.00 0.00 C ATOM 540 CG GLU A 44 -11.951 -4.881 -5.487 1.00 0.00 C ATOM 541 CD GLU A 44 -12.127 -6.310 -5.963 1.00 0.00 C ATOM 542 OE1 GLU A 44 -13.114 -6.580 -6.679 1.00 0.00 O ATOM 543 OE2 GLU A 44 -11.277 -7.158 -5.619 1.00 0.00 O ATOM 0 H GLU A 44 -9.711 -5.316 -5.894 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.010 -3.050 -7.683 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.323 -3.047 -6.523 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.927 -4.396 -7.570 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.131 -4.839 -4.770 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.851 -4.564 -4.960 1.00 0.00 H new ATOM 550 N SER A 45 -10.781 -1.260 -5.789 1.00 0.00 N ATOM 551 CA SER A 45 -10.673 -0.120 -4.883 1.00 0.00 C ATOM 552 C SER A 45 -11.990 0.640 -4.806 1.00 0.00 C ATOM 553 O SER A 45 -12.015 1.830 -4.492 1.00 0.00 O ATOM 554 CB SER A 45 -9.557 0.820 -5.344 1.00 0.00 C ATOM 555 OG SER A 45 -9.069 1.600 -4.267 1.00 0.00 O ATOM 0 H SER A 45 -11.502 -1.162 -6.504 1.00 0.00 H new ATOM 0 HA SER A 45 -10.434 -0.499 -3.890 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.742 0.238 -5.774 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.931 1.475 -6.131 1.00 0.00 H new ATOM 0 HG SER A 45 -9.736 1.621 -3.549 1.00 0.00 H new ATOM 561 N LYS A 46 -13.085 -0.058 -5.080 1.00 0.00 N ATOM 562 CA LYS A 46 -14.402 0.551 -5.049 1.00 0.00 C ATOM 563 C LYS A 46 -15.470 -0.464 -4.669 1.00 0.00 C ATOM 564 O LYS A 46 -15.217 -1.668 -4.635 1.00 0.00 O ATOM 565 CB LYS A 46 -14.724 1.159 -6.411 1.00 0.00 C ATOM 566 CG LYS A 46 -14.814 2.670 -6.383 1.00 0.00 C ATOM 567 CD LYS A 46 -14.241 3.287 -7.648 1.00 0.00 C ATOM 568 CE LYS A 46 -15.018 4.524 -8.066 1.00 0.00 C ATOM 569 NZ LYS A 46 -14.616 5.001 -9.418 1.00 0.00 N ATOM 0 H LYS A 46 -13.083 -1.048 -5.326 1.00 0.00 H new ATOM 0 HA LYS A 46 -14.396 1.335 -4.292 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -13.957 0.860 -7.126 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -15.669 0.752 -6.769 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -15.855 2.971 -6.270 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -14.276 3.051 -5.515 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -13.196 3.551 -7.484 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -14.262 2.553 -8.454 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -16.085 4.301 -8.062 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -14.855 5.318 -7.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -15.169 5.846 -9.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -13.603 5.238 -9.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -14.795 4.252 -10.118 1.00 0.00 H new ATOM 583 N SER A 47 -16.666 0.034 -4.386 1.00 0.00 N ATOM 584 CA SER A 47 -17.784 -0.820 -4.015 1.00 0.00 C ATOM 585 C SER A 47 -19.098 -0.196 -4.461 1.00 0.00 C ATOM 586 O SER A 47 -19.432 0.914 -4.062 1.00 0.00 O ATOM 587 CB SER A 47 -17.800 -1.044 -2.501 1.00 0.00 C ATOM 588 OG SER A 47 -16.997 -2.154 -2.140 1.00 0.00 O ATOM 0 H SER A 47 -16.887 1.030 -4.407 1.00 0.00 H new ATOM 0 HA SER A 47 -17.665 -1.782 -4.514 1.00 0.00 H new ATOM 0 HB2 SER A 47 -17.438 -0.149 -1.994 1.00 0.00 H new ATOM 0 HB3 SER A 47 -18.824 -1.208 -2.166 1.00 0.00 H new ATOM 0 HG SER A 47 -17.480 -2.984 -2.335 1.00 0.00 H new ATOM 594 N TYR A 48 -19.834 -0.903 -5.304 1.00 0.00 N ATOM 595 CA TYR A 48 -21.101 -0.392 -5.802 1.00 0.00 C ATOM 596 C TYR A 48 -22.275 -1.060 -5.105 1.00 0.00 C ATOM 597 O TYR A 48 -22.469 -2.271 -5.204 1.00 0.00 O ATOM 598 CB TYR A 48 -21.192 -0.581 -7.314 1.00 0.00 C ATOM 599 CG TYR A 48 -20.217 0.288 -8.069 1.00 0.00 C ATOM 600 CD1 TYR A 48 -18.881 -0.072 -8.180 1.00 0.00 C ATOM 601 CD2 TYR A 48 -20.623 1.490 -8.632 1.00 0.00 C ATOM 602 CE1 TYR A 48 -17.980 0.729 -8.855 1.00 0.00 C ATOM 603 CE2 TYR A 48 -19.728 2.298 -9.309 1.00 0.00 C ATOM 604 CZ TYR A 48 -18.408 1.913 -9.417 1.00 0.00 C ATOM 605 OH TYR A 48 -17.514 2.714 -10.091 1.00 0.00 O ATOM 0 H TYR A 48 -19.578 -1.826 -5.656 1.00 0.00 H new ATOM 0 HA TYR A 48 -21.147 0.674 -5.581 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -21.004 -1.627 -7.557 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -22.206 -0.354 -7.644 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -18.540 -0.993 -7.731 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -21.654 1.799 -8.540 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -16.946 0.429 -8.942 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -20.061 3.226 -9.751 1.00 0.00 H new ATOM 0 HH TYR A 48 -17.977 3.510 -10.427 1.00 0.00 H new ATOM 615 N CYS A 49 -23.040 -0.256 -4.377 1.00 0.00 N ATOM 616 CA CYS A 49 -24.205 -0.752 -3.662 1.00 0.00 C ATOM 617 C CYS A 49 -25.186 -1.379 -4.635 1.00 0.00 C ATOM 618 O CYS A 49 -25.915 -0.681 -5.339 1.00 0.00 O ATOM 619 CB CYS A 49 -24.879 0.379 -2.887 1.00 0.00 C ATOM 620 SG CYS A 49 -26.349 -0.138 -1.944 1.00 0.00 S ATOM 0 H CYS A 49 -22.872 0.744 -4.267 1.00 0.00 H new ATOM 0 HA CYS A 49 -23.879 -1.511 -2.951 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -24.155 0.816 -2.199 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -25.167 1.163 -3.587 1.00 0.00 H new ATOM 625 N GLU A 50 -25.171 -2.700 -4.696 1.00 0.00 N ATOM 626 CA GLU A 50 -26.033 -3.426 -5.615 1.00 0.00 C ATOM 627 C GLU A 50 -26.966 -4.371 -4.871 1.00 0.00 C ATOM 628 O GLU A 50 -27.059 -4.335 -3.645 1.00 0.00 O ATOM 629 CB GLU A 50 -25.182 -4.207 -6.617 1.00 0.00 C ATOM 630 CG GLU A 50 -25.388 -3.771 -8.058 1.00 0.00 C ATOM 631 CD GLU A 50 -24.080 -3.516 -8.782 1.00 0.00 C ATOM 632 OE1 GLU A 50 -23.106 -3.102 -8.119 1.00 0.00 O ATOM 633 OE2 GLU A 50 -24.031 -3.729 -10.012 1.00 0.00 O ATOM 0 H GLU A 50 -24.572 -3.292 -4.121 1.00 0.00 H new ATOM 0 HA GLU A 50 -26.648 -2.701 -6.149 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -24.130 -4.090 -6.357 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -25.415 -5.268 -6.530 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -25.950 -4.539 -8.590 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -25.992 -2.864 -8.077 1.00 0.00 H new ATOM 640 N LEU A 51 -27.660 -5.212 -5.627 1.00 0.00 N ATOM 641 CA LEU A 51 -28.595 -6.168 -5.053 1.00 0.00 C ATOM 642 C LEU A 51 -27.982 -7.565 -5.004 1.00 0.00 C ATOM 643 O LEU A 51 -27.202 -7.942 -5.878 1.00 0.00 O ATOM 644 CB LEU A 51 -29.886 -6.191 -5.874 1.00 0.00 C ATOM 645 CG LEU A 51 -29.720 -6.657 -7.321 1.00 0.00 C ATOM 646 CD1 LEU A 51 -29.714 -5.471 -8.272 1.00 0.00 C ATOM 647 CD2 LEU A 51 -30.822 -7.636 -7.694 1.00 0.00 C ATOM 0 H LEU A 51 -27.592 -5.250 -6.644 1.00 0.00 H new ATOM 0 HA LEU A 51 -28.822 -5.858 -4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -30.604 -6.844 -5.377 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -30.315 -5.189 -5.877 1.00 0.00 H new ATOM 0 HG LEU A 51 -28.761 -7.167 -7.408 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -29.595 -5.826 -9.296 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -30.655 -4.929 -8.183 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -28.887 -4.807 -8.020 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -30.689 -7.958 -8.727 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -30.777 -8.503 -7.035 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -31.792 -7.150 -7.588 1.00 0.00 H new ATOM 659 N GLY A 52 -28.337 -8.327 -3.975 1.00 0.00 N ATOM 660 CA GLY A 52 -27.813 -9.672 -3.830 1.00 0.00 C ATOM 661 C GLY A 52 -28.443 -10.650 -4.802 1.00 0.00 C ATOM 662 O GLY A 52 -28.766 -10.289 -5.934 1.00 0.00 O ATOM 0 H GLY A 52 -28.979 -8.036 -3.238 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -26.734 -9.656 -3.984 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -27.985 -10.017 -2.810 1.00 0.00 H new ATOM 666 N SER A 53 -28.622 -11.890 -4.360 1.00 0.00 N ATOM 667 CA SER A 53 -29.214 -12.922 -5.200 1.00 0.00 C ATOM 668 C SER A 53 -30.722 -13.007 -4.983 1.00 0.00 C ATOM 669 O SER A 53 -31.483 -13.224 -5.927 1.00 0.00 O ATOM 670 CB SER A 53 -28.570 -14.276 -4.900 1.00 0.00 C ATOM 671 OG SER A 53 -27.157 -14.172 -4.854 1.00 0.00 O ATOM 0 H SER A 53 -28.365 -12.204 -3.424 1.00 0.00 H new ATOM 0 HA SER A 53 -29.031 -12.657 -6.241 1.00 0.00 H new ATOM 0 HB2 SER A 53 -28.941 -14.655 -3.948 1.00 0.00 H new ATOM 0 HB3 SER A 53 -28.860 -14.997 -5.664 1.00 0.00 H new ATOM 0 HG SER A 53 -26.770 -15.051 -4.659 1.00 0.00 H new ATOM 677 N THR A 54 -31.148 -12.838 -3.735 1.00 0.00 N ATOM 678 CA THR A 54 -32.565 -12.907 -3.395 1.00 0.00 C ATOM 679 C THR A 54 -33.194 -11.518 -3.360 1.00 0.00 C ATOM 680 O THR A 54 -33.998 -11.211 -2.480 1.00 0.00 O ATOM 681 CB THR A 54 -32.752 -13.595 -2.042 1.00 0.00 C ATOM 682 OG1 THR A 54 -31.762 -13.169 -1.122 1.00 0.00 O ATOM 683 CG2 THR A 54 -32.685 -15.104 -2.124 1.00 0.00 C ATOM 0 H THR A 54 -30.533 -12.652 -2.943 1.00 0.00 H new ATOM 0 HA THR A 54 -33.066 -13.490 -4.168 1.00 0.00 H new ATOM 0 HB THR A 54 -33.750 -13.310 -1.708 1.00 0.00 H new ATOM 0 HG1 THR A 54 -31.899 -13.619 -0.262 1.00 0.00 H new ATOM 0 HG21 THR A 54 -32.825 -15.529 -1.130 1.00 0.00 H new ATOM 0 HG22 THR A 54 -33.469 -15.467 -2.788 1.00 0.00 H new ATOM 0 HG23 THR A 54 -31.712 -15.404 -2.513 1.00 0.00 H new ATOM 691 N GLY A 55 -32.828 -10.684 -4.327 1.00 0.00 N ATOM 692 CA GLY A 55 -33.377 -9.342 -4.397 1.00 0.00 C ATOM 693 C GLY A 55 -33.000 -8.489 -3.201 1.00 0.00 C ATOM 694 O GLY A 55 -33.652 -7.483 -2.919 1.00 0.00 O ATOM 0 H GLY A 55 -32.161 -10.913 -5.064 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -33.025 -8.858 -5.308 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -34.463 -9.402 -4.467 1.00 0.00 H new ATOM 698 N SER A 56 -31.946 -8.887 -2.497 1.00 0.00 N ATOM 699 CA SER A 56 -31.481 -8.145 -1.330 1.00 0.00 C ATOM 700 C SER A 56 -30.546 -7.014 -1.746 1.00 0.00 C ATOM 701 O SER A 56 -30.526 -6.609 -2.908 1.00 0.00 O ATOM 702 CB SER A 56 -30.763 -9.083 -0.359 1.00 0.00 C ATOM 703 OG SER A 56 -31.230 -8.903 0.967 1.00 0.00 O ATOM 0 H SER A 56 -31.397 -9.719 -2.714 1.00 0.00 H new ATOM 0 HA SER A 56 -32.349 -7.713 -0.833 1.00 0.00 H new ATOM 0 HB2 SER A 56 -30.920 -10.117 -0.665 1.00 0.00 H new ATOM 0 HB3 SER A 56 -29.689 -8.898 -0.398 1.00 0.00 H new ATOM 0 HG SER A 56 -30.756 -9.516 1.567 1.00 0.00 H new ATOM 709 N MET A 57 -29.767 -6.516 -0.792 1.00 0.00 N ATOM 710 CA MET A 57 -28.813 -5.446 -1.064 1.00 0.00 C ATOM 711 C MET A 57 -27.405 -5.867 -0.659 1.00 0.00 C ATOM 712 O MET A 57 -27.198 -6.412 0.425 1.00 0.00 O ATOM 713 CB MET A 57 -29.210 -4.170 -0.319 1.00 0.00 C ATOM 714 CG MET A 57 -30.692 -3.845 -0.409 1.00 0.00 C ATOM 715 SD MET A 57 -31.036 -2.477 -1.532 1.00 0.00 S ATOM 716 CE MET A 57 -32.550 -3.045 -2.305 1.00 0.00 C ATOM 0 H MET A 57 -29.777 -6.836 0.177 1.00 0.00 H new ATOM 0 HA MET A 57 -28.825 -5.246 -2.135 1.00 0.00 H new ATOM 0 HB2 MET A 57 -28.933 -4.271 0.730 1.00 0.00 H new ATOM 0 HB3 MET A 57 -28.639 -3.333 -0.720 1.00 0.00 H new ATOM 0 HG2 MET A 57 -31.234 -4.729 -0.743 1.00 0.00 H new ATOM 0 HG3 MET A 57 -31.067 -3.598 0.584 1.00 0.00 H new ATOM 0 HE1 MET A 57 -32.890 -2.304 -3.028 1.00 0.00 H new ATOM 0 HE2 MET A 57 -32.366 -3.991 -2.814 1.00 0.00 H new ATOM 0 HE3 MET A 57 -33.317 -3.186 -1.543 1.00 0.00 H new ATOM 726 N VAL A 58 -26.439 -5.616 -1.537 1.00 0.00 N ATOM 727 CA VAL A 58 -25.053 -5.978 -1.268 1.00 0.00 C ATOM 728 C VAL A 58 -24.089 -4.943 -1.837 1.00 0.00 C ATOM 729 O VAL A 58 -24.506 -3.937 -2.412 1.00 0.00 O ATOM 730 CB VAL A 58 -24.708 -7.360 -1.853 1.00 0.00 C ATOM 731 CG1 VAL A 58 -25.140 -8.466 -0.903 1.00 0.00 C ATOM 732 CG2 VAL A 58 -25.352 -7.535 -3.218 1.00 0.00 C ATOM 0 H VAL A 58 -26.591 -5.164 -2.439 1.00 0.00 H new ATOM 0 HA VAL A 58 -24.944 -6.012 -0.184 1.00 0.00 H new ATOM 0 HB VAL A 58 -23.627 -7.424 -1.976 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -24.888 -9.435 -1.334 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -24.626 -8.348 0.051 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -26.217 -8.409 -0.744 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -25.098 -8.517 -3.617 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -26.435 -7.451 -3.123 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -24.986 -6.763 -3.895 1.00 0.00 H new ATOM 742 N TRP A 59 -22.796 -5.200 -1.671 1.00 0.00 N ATOM 743 CA TRP A 59 -21.762 -4.301 -2.166 1.00 0.00 C ATOM 744 C TRP A 59 -20.847 -5.027 -3.148 1.00 0.00 C ATOM 745 O TRP A 59 -20.253 -6.051 -2.810 1.00 0.00 O ATOM 746 CB TRP A 59 -20.945 -3.752 -0.996 1.00 0.00 C ATOM 747 CG TRP A 59 -21.682 -2.735 -0.179 1.00 0.00 C ATOM 748 CD1 TRP A 59 -22.348 -2.944 0.997 1.00 0.00 C ATOM 749 CD2 TRP A 59 -21.819 -1.341 -0.473 1.00 0.00 C ATOM 750 NE1 TRP A 59 -22.884 -1.765 1.449 1.00 0.00 N ATOM 751 CE2 TRP A 59 -22.582 -0.769 0.561 1.00 0.00 C ATOM 752 CE3 TRP A 59 -21.371 -0.522 -1.511 1.00 0.00 C ATOM 753 CZ2 TRP A 59 -22.905 0.584 0.584 1.00 0.00 C ATOM 754 CZ3 TRP A 59 -21.699 0.817 -1.489 1.00 0.00 C ATOM 755 CH2 TRP A 59 -22.451 1.359 -0.448 1.00 0.00 C ATOM 0 H TRP A 59 -22.439 -6.028 -1.195 1.00 0.00 H new ATOM 0 HA TRP A 59 -22.241 -3.472 -2.687 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -20.648 -4.579 -0.351 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -20.029 -3.303 -1.381 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -22.439 -3.897 1.496 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -23.421 -1.650 2.308 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -20.778 -0.930 -2.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -23.492 1.007 1.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -21.367 1.457 -2.293 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -22.680 2.414 -0.456 1.00 0.00 H new ATOM 766 N ASN A 60 -20.739 -4.500 -4.365 1.00 0.00 N ATOM 767 CA ASN A 60 -19.924 -5.130 -5.393 1.00 0.00 C ATOM 768 C ASN A 60 -19.129 -4.092 -6.191 1.00 0.00 C ATOM 769 O ASN A 60 -19.718 -3.238 -6.850 1.00 0.00 O ATOM 770 CB ASN A 60 -20.825 -5.917 -6.339 1.00 0.00 C ATOM 771 CG ASN A 60 -21.736 -6.882 -5.606 1.00 0.00 C ATOM 772 OD1 ASN A 60 -21.190 -7.577 -4.616 1.00 0.00 O flip ATOM 773 ND2 ASN A 60 -22.920 -6.999 -5.925 1.00 0.00 N flip ATOM 0 H ASN A 60 -21.205 -3.642 -4.660 1.00 0.00 H new ATOM 0 HA ASN A 60 -19.214 -5.798 -4.905 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -21.430 -5.222 -6.921 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -20.208 -6.471 -7.046 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.298 -6.445 -6.693 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -23.522 -7.650 -5.421 1.00 0.00 H new ATOM 780 N PRO A 61 -17.780 -4.154 -6.169 1.00 0.00 N ATOM 781 CA PRO A 61 -17.015 -5.148 -5.409 1.00 0.00 C ATOM 782 C PRO A 61 -17.046 -4.869 -3.911 1.00 0.00 C ATOM 783 O PRO A 61 -17.802 -4.017 -3.446 1.00 0.00 O ATOM 784 CB PRO A 61 -15.581 -5.010 -5.947 1.00 0.00 C ATOM 785 CG PRO A 61 -15.670 -4.079 -7.114 1.00 0.00 C ATOM 786 CD PRO A 61 -16.892 -3.238 -6.890 1.00 0.00 C ATOM 0 HA PRO A 61 -17.427 -6.150 -5.530 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -14.913 -4.615 -5.182 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -15.182 -5.978 -6.249 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.778 -3.457 -7.184 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -15.746 -4.634 -8.049 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -16.669 -2.345 -6.306 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -17.331 -2.902 -7.829 1.00 0.00 H new ATOM 794 N GLU A 62 -16.226 -5.597 -3.160 1.00 0.00 N ATOM 795 CA GLU A 62 -16.156 -5.433 -1.722 1.00 0.00 C ATOM 796 C GLU A 62 -14.816 -4.815 -1.312 1.00 0.00 C ATOM 797 O GLU A 62 -14.179 -4.115 -2.100 1.00 0.00 O ATOM 798 CB GLU A 62 -16.355 -6.788 -1.051 1.00 0.00 C ATOM 799 CG GLU A 62 -15.168 -7.709 -1.215 1.00 0.00 C ATOM 800 CD GLU A 62 -15.570 -9.165 -1.351 1.00 0.00 C ATOM 801 OE1 GLU A 62 -15.946 -9.775 -0.328 1.00 0.00 O ATOM 802 OE2 GLU A 62 -15.512 -9.694 -2.481 1.00 0.00 O ATOM 0 H GLU A 62 -15.598 -6.310 -3.532 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.946 -4.755 -1.399 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.546 -6.636 0.011 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.240 -7.268 -1.469 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.600 -7.410 -2.096 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -14.506 -7.598 -0.356 1.00 0.00 H new ATOM 809 N ALA A 63 -14.397 -5.076 -0.078 1.00 0.00 N ATOM 810 CA ALA A 63 -13.133 -4.562 0.436 1.00 0.00 C ATOM 811 C ALA A 63 -11.955 -5.297 -0.202 1.00 0.00 C ATOM 812 O ALA A 63 -11.753 -6.486 0.044 1.00 0.00 O ATOM 813 CB ALA A 63 -13.086 -4.704 1.949 1.00 0.00 C ATOM 0 H ALA A 63 -14.919 -5.645 0.589 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.059 -3.505 0.179 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -12.138 -4.317 2.321 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.907 -4.141 2.393 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -13.180 -5.756 2.219 1.00 0.00 H new ATOM 819 N PRO A 64 -11.163 -4.606 -1.040 1.00 0.00 N ATOM 820 CA PRO A 64 -10.018 -5.213 -1.727 1.00 0.00 C ATOM 821 C PRO A 64 -8.876 -5.550 -0.771 1.00 0.00 C ATOM 822 O PRO A 64 -9.102 -5.831 0.406 1.00 0.00 O ATOM 823 CB PRO A 64 -9.581 -4.139 -2.732 1.00 0.00 C ATOM 824 CG PRO A 64 -10.693 -3.147 -2.762 1.00 0.00 C ATOM 825 CD PRO A 64 -11.325 -3.195 -1.408 1.00 0.00 C ATOM 0 HA PRO A 64 -10.286 -6.161 -2.194 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -8.646 -3.671 -2.425 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.413 -4.570 -3.719 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -10.318 -2.147 -2.982 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -11.416 -3.395 -3.539 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.827 -2.530 -0.702 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -12.374 -2.900 -1.438 1.00 0.00 H new ATOM 833 N ILE A 65 -7.649 -5.525 -1.286 1.00 0.00 N ATOM 834 CA ILE A 65 -6.476 -5.852 -0.486 1.00 0.00 C ATOM 835 C ILE A 65 -5.749 -4.597 -0.017 1.00 0.00 C ATOM 836 O ILE A 65 -5.975 -3.504 -0.535 1.00 0.00 O ATOM 837 CB ILE A 65 -5.483 -6.724 -1.272 1.00 0.00 C ATOM 838 CG1 ILE A 65 -6.222 -7.705 -2.188 1.00 0.00 C ATOM 839 CG2 ILE A 65 -4.569 -7.471 -0.317 1.00 0.00 C ATOM 840 CD1 ILE A 65 -7.122 -8.667 -1.445 1.00 0.00 C ATOM 0 H ILE A 65 -7.443 -5.281 -2.255 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.841 -6.405 0.379 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.875 -6.071 -1.898 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.820 -7.141 -2.904 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.491 -8.274 -2.762 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.871 -8.085 -0.887 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.013 -6.756 0.289 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.166 -8.110 0.333 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.612 -9.331 -2.157 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.527 -9.258 -0.749 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.876 -8.107 -0.893 1.00 0.00 H new ATOM 852 N CYS A 66 -4.853 -4.774 0.949 1.00 0.00 N ATOM 853 CA CYS A 66 -4.067 -3.672 1.485 1.00 0.00 C ATOM 854 C CYS A 66 -2.841 -4.197 2.222 1.00 0.00 C ATOM 855 O CYS A 66 -2.928 -5.165 2.977 1.00 0.00 O ATOM 856 CB CYS A 66 -4.912 -2.827 2.436 1.00 0.00 C ATOM 857 SG CYS A 66 -5.666 -1.361 1.660 1.00 0.00 S ATOM 0 H CYS A 66 -4.654 -5.678 1.378 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.741 -3.052 0.650 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.702 -3.451 2.854 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.288 -2.503 3.269 1.00 0.00 H new ATOM 862 N GLU A 67 -1.701 -3.553 2.005 1.00 0.00 N ATOM 863 CA GLU A 67 -0.463 -3.961 2.658 1.00 0.00 C ATOM 864 C GLU A 67 0.584 -2.856 2.581 1.00 0.00 C ATOM 865 O GLU A 67 0.356 -1.810 1.975 1.00 0.00 O ATOM 866 CB GLU A 67 0.078 -5.239 2.017 1.00 0.00 C ATOM 867 CG GLU A 67 0.780 -6.161 3.001 1.00 0.00 C ATOM 868 CD GLU A 67 2.253 -6.336 2.687 1.00 0.00 C ATOM 869 OE1 GLU A 67 2.830 -5.445 2.029 1.00 0.00 O ATOM 870 OE2 GLU A 67 2.830 -7.364 3.101 1.00 0.00 O ATOM 0 H GLU A 67 -1.608 -2.749 1.384 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.682 -4.154 3.708 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.746 -5.779 1.550 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.774 -4.971 1.222 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.672 -5.760 4.009 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.292 -7.136 2.992 1.00 0.00 H new ATOM 877 N SER A 68 1.731 -3.095 3.207 1.00 0.00 N ATOM 878 CA SER A 68 2.815 -2.121 3.212 1.00 0.00 C ATOM 879 C SER A 68 3.805 -2.404 2.091 1.00 0.00 C ATOM 880 O SER A 68 4.454 -3.451 2.069 1.00 0.00 O ATOM 881 CB SER A 68 3.535 -2.136 4.562 1.00 0.00 C ATOM 882 OG SER A 68 4.496 -3.176 4.616 1.00 0.00 O ATOM 0 H SER A 68 1.934 -3.955 3.717 1.00 0.00 H new ATOM 0 HA SER A 68 2.384 -1.133 3.049 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.024 -1.176 4.728 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.808 -2.266 5.364 1.00 0.00 H new ATOM 0 HG SER A 68 4.410 -3.742 3.821 1.00 0.00 H new ATOM 888 N VAL A 69 3.926 -1.454 1.167 1.00 0.00 N ATOM 889 CA VAL A 69 4.837 -1.583 0.032 1.00 0.00 C ATOM 890 C VAL A 69 6.174 -2.195 0.450 1.00 0.00 C ATOM 891 O VAL A 69 7.079 -1.492 0.897 1.00 0.00 O ATOM 892 CB VAL A 69 5.093 -0.218 -0.627 1.00 0.00 C ATOM 893 CG1 VAL A 69 5.413 0.828 0.428 1.00 0.00 C ATOM 894 CG2 VAL A 69 3.894 0.205 -1.462 1.00 0.00 C ATOM 0 H VAL A 69 3.400 -0.580 1.183 1.00 0.00 H new ATOM 0 HA VAL A 69 4.355 -2.247 -0.685 1.00 0.00 H new ATOM 0 HB VAL A 69 5.953 -0.309 -1.290 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.592 1.789 -0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.573 0.919 1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.304 0.528 0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.094 1.173 -1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.714 -0.535 -2.241 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.014 0.281 -0.823 1.00 0.00 H new ATOM 904 N LYS A 70 6.279 -3.513 0.314 1.00 0.00 N ATOM 905 CA LYS A 70 7.488 -4.231 0.699 1.00 0.00 C ATOM 906 C LYS A 70 8.645 -3.934 -0.249 1.00 0.00 C ATOM 907 O LYS A 70 8.560 -4.193 -1.449 1.00 0.00 O ATOM 908 CB LYS A 70 7.224 -5.736 0.722 1.00 0.00 C ATOM 909 CG LYS A 70 6.710 -6.243 2.058 1.00 0.00 C ATOM 910 CD LYS A 70 7.735 -7.133 2.739 1.00 0.00 C ATOM 911 CE LYS A 70 7.469 -7.252 4.231 1.00 0.00 C ATOM 912 NZ LYS A 70 6.936 -8.594 4.596 1.00 0.00 N ATOM 0 H LYS A 70 5.539 -4.107 -0.061 1.00 0.00 H new ATOM 0 HA LYS A 70 7.767 -3.890 1.696 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.498 -5.981 -0.054 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.146 -6.262 0.474 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.472 -5.398 2.704 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.785 -6.799 1.907 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.716 -8.124 2.285 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.734 -6.728 2.578 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.392 -7.067 4.780 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.758 -6.484 4.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.768 -8.634 5.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.042 -8.761 4.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.625 -9.326 4.330 1.00 0.00 H new ATOM 926 N CYS A 71 9.735 -3.415 0.306 1.00 0.00 N ATOM 927 CA CYS A 71 10.932 -3.134 -0.476 1.00 0.00 C ATOM 928 C CYS A 71 11.991 -4.185 -0.187 1.00 0.00 C ATOM 929 O CYS A 71 12.477 -4.293 0.938 1.00 0.00 O ATOM 930 CB CYS A 71 11.504 -1.742 -0.168 1.00 0.00 C ATOM 931 SG CYS A 71 10.435 -0.652 0.836 1.00 0.00 S ATOM 0 H CYS A 71 9.814 -3.180 1.296 1.00 0.00 H new ATOM 0 HA CYS A 71 10.651 -3.159 -1.529 1.00 0.00 H new ATOM 0 HB2 CYS A 71 12.455 -1.866 0.351 1.00 0.00 H new ATOM 0 HB3 CYS A 71 11.719 -1.241 -1.112 1.00 0.00 H new ATOM 936 N GLN A 72 12.341 -4.965 -1.196 1.00 0.00 N ATOM 937 CA GLN A 72 13.337 -6.008 -1.021 1.00 0.00 C ATOM 938 C GLN A 72 14.727 -5.403 -0.820 1.00 0.00 C ATOM 939 O GLN A 72 14.858 -4.247 -0.417 1.00 0.00 O ATOM 940 CB GLN A 72 13.309 -6.975 -2.212 1.00 0.00 C ATOM 941 CG GLN A 72 14.171 -6.546 -3.386 1.00 0.00 C ATOM 942 CD GLN A 72 13.572 -6.929 -4.725 1.00 0.00 C ATOM 943 OE1 GLN A 72 14.029 -7.868 -5.376 1.00 0.00 O ATOM 944 NE2 GLN A 72 12.543 -6.201 -5.144 1.00 0.00 N ATOM 0 H GLN A 72 11.954 -4.897 -2.137 1.00 0.00 H new ATOM 0 HA GLN A 72 13.096 -6.576 -0.122 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.638 -7.958 -1.875 1.00 0.00 H new ATOM 0 HB3 GLN A 72 12.279 -7.083 -2.553 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.312 -5.466 -3.352 1.00 0.00 H new ATOM 0 HG3 GLN A 72 15.158 -6.999 -3.291 1.00 0.00 H new ATOM 0 HE21 GLN A 72 12.196 -5.431 -4.572 1.00 0.00 H new ATOM 0 HE22 GLN A 72 12.099 -6.412 -6.038 1.00 0.00 H new ATOM 953 N SER A 73 15.758 -6.192 -1.096 1.00 0.00 N ATOM 954 CA SER A 73 17.135 -5.744 -0.935 1.00 0.00 C ATOM 955 C SER A 73 17.345 -4.364 -1.559 1.00 0.00 C ATOM 956 O SER A 73 16.868 -4.096 -2.662 1.00 0.00 O ATOM 957 CB SER A 73 18.085 -6.758 -1.573 1.00 0.00 C ATOM 958 OG SER A 73 19.284 -6.140 -2.005 1.00 0.00 O ATOM 0 H SER A 73 15.665 -7.150 -1.434 1.00 0.00 H new ATOM 0 HA SER A 73 17.347 -5.666 0.131 1.00 0.00 H new ATOM 0 HB2 SER A 73 18.317 -7.544 -0.854 1.00 0.00 H new ATOM 0 HB3 SER A 73 17.594 -7.236 -2.421 1.00 0.00 H new ATOM 0 HG SER A 73 19.640 -6.623 -2.780 1.00 0.00 H new ATOM 964 N PRO A 74 18.067 -3.465 -0.862 1.00 0.00 N ATOM 965 CA PRO A 74 18.340 -2.115 -1.367 1.00 0.00 C ATOM 966 C PRO A 74 19.081 -2.148 -2.702 1.00 0.00 C ATOM 967 O PRO A 74 19.650 -3.172 -3.080 1.00 0.00 O ATOM 968 CB PRO A 74 19.211 -1.477 -0.276 1.00 0.00 C ATOM 969 CG PRO A 74 18.977 -2.305 0.943 1.00 0.00 C ATOM 970 CD PRO A 74 18.682 -3.694 0.456 1.00 0.00 C ATOM 0 HA PRO A 74 17.423 -1.558 -1.558 1.00 0.00 H new ATOM 0 HB2 PRO A 74 20.264 -1.481 -0.559 1.00 0.00 H new ATOM 0 HB3 PRO A 74 18.931 -0.437 -0.106 1.00 0.00 H new ATOM 0 HG2 PRO A 74 19.853 -2.298 1.592 1.00 0.00 H new ATOM 0 HG3 PRO A 74 18.144 -1.912 1.526 1.00 0.00 H new ATOM 0 HD2 PRO A 74 19.588 -4.294 0.379 1.00 0.00 H new ATOM 0 HD3 PRO A 74 18.007 -4.222 1.129 1.00 0.00 H new ATOM 978 N PRO A 75 19.067 -1.029 -3.446 1.00 0.00 N ATOM 979 CA PRO A 75 19.726 -0.936 -4.747 1.00 0.00 C ATOM 980 C PRO A 75 21.077 -1.643 -4.778 1.00 0.00 C ATOM 981 O PRO A 75 21.709 -1.844 -3.741 1.00 0.00 O ATOM 982 CB PRO A 75 19.904 0.567 -4.927 1.00 0.00 C ATOM 983 CG PRO A 75 18.738 1.167 -4.217 1.00 0.00 C ATOM 984 CD PRO A 75 18.408 0.238 -3.074 1.00 0.00 C ATOM 0 HA PRO A 75 19.147 -1.417 -5.536 1.00 0.00 H new ATOM 0 HB2 PRO A 75 20.847 0.909 -4.501 1.00 0.00 H new ATOM 0 HB3 PRO A 75 19.912 0.843 -5.982 1.00 0.00 H new ATOM 0 HG2 PRO A 75 18.979 2.164 -3.849 1.00 0.00 H new ATOM 0 HG3 PRO A 75 17.887 1.272 -4.889 1.00 0.00 H new ATOM 0 HD2 PRO A 75 18.785 0.621 -2.126 1.00 0.00 H new ATOM 0 HD3 PRO A 75 17.331 0.110 -2.961 1.00 0.00 H new ATOM 992 N SER A 76 21.510 -2.019 -5.976 1.00 0.00 N ATOM 993 CA SER A 76 22.788 -2.698 -6.153 1.00 0.00 C ATOM 994 C SER A 76 23.803 -1.770 -6.810 1.00 0.00 C ATOM 995 O SER A 76 23.922 -1.730 -8.035 1.00 0.00 O ATOM 996 CB SER A 76 22.607 -3.958 -7.002 1.00 0.00 C ATOM 997 OG SER A 76 23.668 -4.873 -6.790 1.00 0.00 O ATOM 0 H SER A 76 20.993 -1.864 -6.841 1.00 0.00 H new ATOM 0 HA SER A 76 23.162 -2.984 -5.170 1.00 0.00 H new ATOM 0 HB2 SER A 76 21.658 -4.433 -6.755 1.00 0.00 H new ATOM 0 HB3 SER A 76 22.562 -3.686 -8.057 1.00 0.00 H new ATOM 0 HG SER A 76 23.528 -5.670 -7.343 1.00 0.00 H new ATOM 1003 N ILE A 77 24.530 -1.024 -5.988 1.00 0.00 N ATOM 1004 CA ILE A 77 25.525 -0.083 -6.487 1.00 0.00 C ATOM 1005 C ILE A 77 26.722 -0.807 -7.090 1.00 0.00 C ATOM 1006 O ILE A 77 26.820 -2.032 -7.022 1.00 0.00 O ATOM 1007 CB ILE A 77 26.019 0.858 -5.372 1.00 0.00 C ATOM 1008 CG1 ILE A 77 26.773 0.069 -4.298 1.00 0.00 C ATOM 1009 CG2 ILE A 77 24.847 1.609 -4.763 1.00 0.00 C ATOM 1010 CD1 ILE A 77 27.628 0.936 -3.399 1.00 0.00 C ATOM 0 H ILE A 77 24.449 -1.052 -4.972 1.00 0.00 H new ATOM 0 HA ILE A 77 25.035 0.507 -7.262 1.00 0.00 H new ATOM 0 HB ILE A 77 26.707 1.583 -5.806 1.00 0.00 H new ATOM 0 HG12 ILE A 77 26.054 -0.476 -3.687 1.00 0.00 H new ATOM 0 HG13 ILE A 77 27.407 -0.674 -4.782 1.00 0.00 H new ATOM 0 HG21 ILE A 77 25.208 2.271 -3.976 1.00 0.00 H new ATOM 0 HG22 ILE A 77 24.352 2.199 -5.535 1.00 0.00 H new ATOM 0 HG23 ILE A 77 24.138 0.897 -4.341 1.00 0.00 H new ATOM 0 HD11 ILE A 77 28.132 0.310 -2.663 1.00 0.00 H new ATOM 0 HD12 ILE A 77 28.371 1.461 -3.999 1.00 0.00 H new ATOM 0 HD13 ILE A 77 26.997 1.662 -2.887 1.00 0.00 H new ATOM 1022 N SER A 78 27.633 -0.036 -7.673 1.00 0.00 N ATOM 1023 CA SER A 78 28.831 -0.597 -8.282 1.00 0.00 C ATOM 1024 C SER A 78 30.016 -0.509 -7.331 1.00 0.00 C ATOM 1025 O SER A 78 30.209 0.500 -6.655 1.00 0.00 O ATOM 1026 CB SER A 78 29.157 0.136 -9.583 1.00 0.00 C ATOM 1027 OG SER A 78 28.908 1.526 -9.464 1.00 0.00 O ATOM 0 H SER A 78 27.564 0.980 -7.736 1.00 0.00 H new ATOM 0 HA SER A 78 28.638 -1.647 -8.500 1.00 0.00 H new ATOM 0 HB2 SER A 78 30.203 -0.028 -9.844 1.00 0.00 H new ATOM 0 HB3 SER A 78 28.558 -0.275 -10.395 1.00 0.00 H new ATOM 0 HG SER A 78 29.126 1.971 -10.309 1.00 0.00 H new ATOM 1033 N ASN A 79 30.810 -1.571 -7.291 1.00 0.00 N ATOM 1034 CA ASN A 79 31.989 -1.617 -6.432 1.00 0.00 C ATOM 1035 C ASN A 79 31.588 -1.619 -4.964 1.00 0.00 C ATOM 1036 O ASN A 79 32.345 -1.171 -4.103 1.00 0.00 O ATOM 1037 CB ASN A 79 32.928 -0.430 -6.703 1.00 0.00 C ATOM 1038 CG ASN A 79 32.755 0.183 -8.071 1.00 0.00 C ATOM 1039 OD1 ASN A 79 32.835 1.400 -8.236 1.00 0.00 O ATOM 1040 ND2 ASN A 79 32.525 -0.657 -9.059 1.00 0.00 N ATOM 0 H ASN A 79 30.660 -2.415 -7.844 1.00 0.00 H new ATOM 0 HA ASN A 79 32.520 -2.541 -6.662 1.00 0.00 H new ATOM 0 HB2 ASN A 79 32.757 0.337 -5.947 1.00 0.00 H new ATOM 0 HB3 ASN A 79 33.960 -0.762 -6.592 1.00 0.00 H new ATOM 0 HD21 ASN A 79 32.405 -0.306 -10.009 1.00 0.00 H new ATOM 0 HD22 ASN A 79 32.467 -1.658 -8.874 1.00 0.00 H new ATOM 1047 N GLY A 80 30.394 -2.126 -4.682 1.00 0.00 N ATOM 1048 CA GLY A 80 29.921 -2.173 -3.313 1.00 0.00 C ATOM 1049 C GLY A 80 28.623 -2.939 -3.164 1.00 0.00 C ATOM 1050 O GLY A 80 28.212 -3.668 -4.067 1.00 0.00 O ATOM 0 H GLY A 80 29.747 -2.504 -5.374 1.00 0.00 H new ATOM 0 HA2 GLY A 80 30.684 -2.635 -2.686 1.00 0.00 H new ATOM 0 HA3 GLY A 80 29.781 -1.156 -2.947 1.00 0.00 H new ATOM 1054 N ARG A 81 27.981 -2.773 -2.014 1.00 0.00 N ATOM 1055 CA ARG A 81 26.728 -3.452 -1.724 1.00 0.00 C ATOM 1056 C ARG A 81 26.066 -2.851 -0.492 1.00 0.00 C ATOM 1057 O ARG A 81 26.550 -1.868 0.069 1.00 0.00 O ATOM 1058 CB ARG A 81 26.966 -4.947 -1.511 1.00 0.00 C ATOM 1059 CG ARG A 81 28.296 -5.269 -0.849 1.00 0.00 C ATOM 1060 CD ARG A 81 28.674 -6.725 -1.051 1.00 0.00 C ATOM 1061 NE ARG A 81 29.996 -7.029 -0.511 1.00 0.00 N ATOM 1062 CZ ARG A 81 30.490 -8.260 -0.426 1.00 0.00 C ATOM 1063 NH1 ARG A 81 29.773 -9.295 -0.844 1.00 0.00 N ATOM 1064 NH2 ARG A 81 31.701 -8.457 0.077 1.00 0.00 N ATOM 0 H ARG A 81 28.313 -2.168 -1.262 1.00 0.00 H new ATOM 0 HA ARG A 81 26.064 -3.319 -2.578 1.00 0.00 H new ATOM 0 HB2 ARG A 81 26.159 -5.350 -0.899 1.00 0.00 H new ATOM 0 HB3 ARG A 81 26.919 -5.454 -2.475 1.00 0.00 H new ATOM 0 HG2 ARG A 81 29.075 -4.628 -1.262 1.00 0.00 H new ATOM 0 HG3 ARG A 81 28.236 -5.051 0.217 1.00 0.00 H new ATOM 0 HD2 ARG A 81 27.931 -7.362 -0.571 1.00 0.00 H new ATOM 0 HD3 ARG A 81 28.655 -6.960 -2.115 1.00 0.00 H new ATOM 0 HE ARG A 81 30.572 -6.254 -0.181 1.00 0.00 H new ATOM 0 HH11 ARG A 81 28.841 -9.147 -1.231 1.00 0.00 H new ATOM 0 HH12 ARG A 81 30.154 -10.239 -0.778 1.00 0.00 H new ATOM 0 HH21 ARG A 81 32.255 -7.663 0.399 1.00 0.00 H new ATOM 0 HH22 ARG A 81 32.079 -9.402 0.142 1.00 0.00 H new ATOM 1078 N HIS A 82 24.963 -3.453 -0.072 1.00 0.00 N ATOM 1079 CA HIS A 82 24.230 -2.973 1.091 1.00 0.00 C ATOM 1080 C HIS A 82 24.459 -3.879 2.296 1.00 0.00 C ATOM 1081 O HIS A 82 25.083 -4.934 2.183 1.00 0.00 O ATOM 1082 CB HIS A 82 22.739 -2.903 0.773 1.00 0.00 C ATOM 1083 CG HIS A 82 22.251 -4.083 -0.006 1.00 0.00 C ATOM 1084 ND1 HIS A 82 21.767 -5.229 0.588 1.00 0.00 N ATOM 1085 CD2 HIS A 82 22.201 -4.302 -1.341 1.00 0.00 C ATOM 1086 CE1 HIS A 82 21.428 -6.097 -0.348 1.00 0.00 C ATOM 1087 NE2 HIS A 82 21.684 -5.559 -1.526 1.00 0.00 N ATOM 0 H HIS A 82 24.556 -4.275 -0.519 1.00 0.00 H new ATOM 0 HA HIS A 82 24.597 -1.977 1.337 1.00 0.00 H new ATOM 0 HB2 HIS A 82 22.177 -2.832 1.705 1.00 0.00 H new ATOM 0 HB3 HIS A 82 22.536 -1.993 0.209 1.00 0.00 H new ATOM 0 HD2 HIS A 82 22.510 -3.616 -2.115 1.00 0.00 H new ATOM 0 HE1 HIS A 82 21.012 -7.079 -0.179 1.00 0.00 H new ATOM 0 HE2 HIS A 82 21.523 -6.006 -2.429 1.00 0.00 H new ATOM 1096 N ASN A 83 23.946 -3.461 3.448 1.00 0.00 N ATOM 1097 CA ASN A 83 24.080 -4.241 4.673 1.00 0.00 C ATOM 1098 C ASN A 83 22.800 -5.022 4.950 1.00 0.00 C ATOM 1099 O ASN A 83 22.682 -6.190 4.579 1.00 0.00 O ATOM 1100 CB ASN A 83 24.401 -3.323 5.855 1.00 0.00 C ATOM 1101 CG ASN A 83 25.812 -2.771 5.792 1.00 0.00 C ATOM 1102 OD1 ASN A 83 26.667 -3.301 5.084 1.00 0.00 O ATOM 1103 ND2 ASN A 83 26.061 -1.699 6.535 1.00 0.00 N ATOM 0 H ASN A 83 23.433 -2.586 3.559 1.00 0.00 H new ATOM 0 HA ASN A 83 24.900 -4.948 4.544 1.00 0.00 H new ATOM 0 HB2 ASN A 83 23.691 -2.496 5.873 1.00 0.00 H new ATOM 0 HB3 ASN A 83 24.271 -3.875 6.786 1.00 0.00 H new ATOM 0 HD21 ASN A 83 26.992 -1.282 6.533 1.00 0.00 H new ATOM 0 HD22 ASN A 83 25.321 -1.292 7.107 1.00 0.00 H new ATOM 1110 N GLY A 84 21.837 -4.364 5.586 1.00 0.00 N ATOM 1111 CA GLY A 84 20.567 -5.001 5.871 1.00 0.00 C ATOM 1112 C GLY A 84 20.701 -6.221 6.757 1.00 0.00 C ATOM 1113 O GLY A 84 21.717 -6.916 6.725 1.00 0.00 O ATOM 0 H GLY A 84 21.914 -3.400 5.909 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.906 -4.281 6.352 1.00 0.00 H new ATOM 0 HA3 GLY A 84 20.094 -5.291 4.933 1.00 0.00 H new ATOM 1117 N TYR A 85 19.660 -6.492 7.538 1.00 0.00 N ATOM 1118 CA TYR A 85 19.648 -7.642 8.430 1.00 0.00 C ATOM 1119 C TYR A 85 18.611 -8.662 7.977 1.00 0.00 C ATOM 1120 O TYR A 85 18.804 -9.869 8.117 1.00 0.00 O ATOM 1121 CB TYR A 85 19.350 -7.195 9.861 1.00 0.00 C ATOM 1122 CG TYR A 85 19.958 -5.857 10.221 1.00 0.00 C ATOM 1123 CD1 TYR A 85 21.203 -5.780 10.832 1.00 0.00 C ATOM 1124 CD2 TYR A 85 19.285 -4.672 9.949 1.00 0.00 C ATOM 1125 CE1 TYR A 85 21.761 -4.559 11.162 1.00 0.00 C ATOM 1126 CE2 TYR A 85 19.837 -3.448 10.275 1.00 0.00 C ATOM 1127 CZ TYR A 85 21.074 -3.397 10.882 1.00 0.00 C ATOM 1128 OH TYR A 85 21.626 -2.180 11.208 1.00 0.00 O ATOM 0 H TYR A 85 18.811 -5.927 7.570 1.00 0.00 H new ATOM 0 HA TYR A 85 20.632 -8.110 8.401 1.00 0.00 H new ATOM 0 HB2 TYR A 85 18.270 -7.142 9.998 1.00 0.00 H new ATOM 0 HB3 TYR A 85 19.722 -7.951 10.553 1.00 0.00 H new ATOM 0 HD1 TYR A 85 21.744 -6.688 11.053 1.00 0.00 H new ATOM 0 HD2 TYR A 85 18.315 -4.708 9.475 1.00 0.00 H new ATOM 0 HE1 TYR A 85 22.730 -4.516 11.637 1.00 0.00 H new ATOM 0 HE2 TYR A 85 19.302 -2.536 10.055 1.00 0.00 H new ATOM 0 HH TYR A 85 21.014 -1.462 10.943 1.00 0.00 H new ATOM 1138 N GLU A 86 17.515 -8.160 7.424 1.00 0.00 N ATOM 1139 CA GLU A 86 16.433 -9.006 6.944 1.00 0.00 C ATOM 1140 C GLU A 86 16.541 -9.230 5.438 1.00 0.00 C ATOM 1141 O GLU A 86 17.525 -8.838 4.811 1.00 0.00 O ATOM 1142 CB GLU A 86 15.086 -8.363 7.281 1.00 0.00 C ATOM 1143 CG GLU A 86 14.482 -8.863 8.582 1.00 0.00 C ATOM 1144 CD GLU A 86 13.106 -9.470 8.393 1.00 0.00 C ATOM 1145 OE1 GLU A 86 13.017 -10.707 8.248 1.00 0.00 O ATOM 1146 OE2 GLU A 86 12.116 -8.707 8.391 1.00 0.00 O ATOM 0 H GLU A 86 17.352 -7.161 7.296 1.00 0.00 H new ATOM 0 HA GLU A 86 16.508 -9.975 7.438 1.00 0.00 H new ATOM 0 HB2 GLU A 86 15.214 -7.282 7.341 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.387 -8.557 6.468 1.00 0.00 H new ATOM 0 HG2 GLU A 86 15.145 -9.607 9.023 1.00 0.00 H new ATOM 0 HG3 GLU A 86 14.416 -8.036 9.289 1.00 0.00 H new ATOM 1153 N ASP A 87 15.521 -9.859 4.864 1.00 0.00 N ATOM 1154 CA ASP A 87 15.495 -10.129 3.430 1.00 0.00 C ATOM 1155 C ASP A 87 14.572 -9.153 2.706 1.00 0.00 C ATOM 1156 O ASP A 87 14.719 -8.916 1.507 1.00 0.00 O ATOM 1157 CB ASP A 87 15.041 -11.566 3.167 1.00 0.00 C ATOM 1158 CG ASP A 87 16.206 -12.530 3.059 1.00 0.00 C ATOM 1159 OD1 ASP A 87 16.355 -13.385 3.958 1.00 0.00 O ATOM 1160 OD2 ASP A 87 16.970 -12.430 2.076 1.00 0.00 O ATOM 0 H ASP A 87 14.700 -10.192 5.370 1.00 0.00 H new ATOM 0 HA ASP A 87 16.506 -9.998 3.045 1.00 0.00 H new ATOM 0 HB2 ASP A 87 14.380 -11.888 3.971 1.00 0.00 H new ATOM 0 HB3 ASP A 87 14.460 -11.598 2.245 1.00 0.00 H new ATOM 1165 N PHE A 88 13.621 -8.590 3.443 1.00 0.00 N ATOM 1166 CA PHE A 88 12.673 -7.637 2.878 1.00 0.00 C ATOM 1167 C PHE A 88 12.598 -6.378 3.735 1.00 0.00 C ATOM 1168 O PHE A 88 13.223 -6.302 4.793 1.00 0.00 O ATOM 1169 CB PHE A 88 11.287 -8.273 2.767 1.00 0.00 C ATOM 1170 CG PHE A 88 11.012 -8.888 1.431 1.00 0.00 C ATOM 1171 CD1 PHE A 88 11.547 -10.120 1.093 1.00 0.00 C ATOM 1172 CD2 PHE A 88 10.206 -8.237 0.516 1.00 0.00 C ATOM 1173 CE1 PHE A 88 11.287 -10.687 -0.138 1.00 0.00 C ATOM 1174 CE2 PHE A 88 9.941 -8.796 -0.715 1.00 0.00 C ATOM 1175 CZ PHE A 88 10.482 -10.024 -1.045 1.00 0.00 C ATOM 0 H PHE A 88 13.486 -8.778 4.436 1.00 0.00 H new ATOM 0 HA PHE A 88 13.020 -7.360 1.882 1.00 0.00 H new ATOM 0 HB2 PHE A 88 11.185 -9.038 3.537 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.531 -7.514 2.970 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.174 -10.642 1.800 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.779 -7.278 0.769 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.712 -11.647 -0.392 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.311 -8.275 -1.421 1.00 0.00 H new ATOM 0 HZ PHE A 88 10.276 -10.465 -2.009 1.00 0.00 H new ATOM 1185 N TYR A 89 11.835 -5.389 3.277 1.00 0.00 N ATOM 1186 CA TYR A 89 11.690 -4.140 4.015 1.00 0.00 C ATOM 1187 C TYR A 89 10.338 -3.494 3.737 1.00 0.00 C ATOM 1188 O TYR A 89 9.650 -3.856 2.785 1.00 0.00 O ATOM 1189 CB TYR A 89 12.821 -3.175 3.652 1.00 0.00 C ATOM 1190 CG TYR A 89 14.200 -3.747 3.895 1.00 0.00 C ATOM 1191 CD1 TYR A 89 14.906 -3.435 5.049 1.00 0.00 C ATOM 1192 CD2 TYR A 89 14.791 -4.608 2.976 1.00 0.00 C ATOM 1193 CE1 TYR A 89 16.165 -3.958 5.278 1.00 0.00 C ATOM 1194 CE2 TYR A 89 16.049 -5.132 3.198 1.00 0.00 C ATOM 1195 CZ TYR A 89 16.730 -4.805 4.349 1.00 0.00 C ATOM 1196 OH TYR A 89 17.981 -5.328 4.574 1.00 0.00 O ATOM 0 H TYR A 89 11.311 -5.429 2.403 1.00 0.00 H new ATOM 0 HA TYR A 89 11.746 -4.367 5.080 1.00 0.00 H new ATOM 0 HB2 TYR A 89 12.730 -2.899 2.601 1.00 0.00 H new ATOM 0 HB3 TYR A 89 12.708 -2.260 4.233 1.00 0.00 H new ATOM 0 HD1 TYR A 89 14.465 -2.773 5.779 1.00 0.00 H new ATOM 0 HD2 TYR A 89 14.257 -4.871 2.075 1.00 0.00 H new ATOM 0 HE1 TYR A 89 16.703 -3.704 6.180 1.00 0.00 H new ATOM 0 HE2 TYR A 89 16.497 -5.795 2.472 1.00 0.00 H new ATOM 0 HH TYR A 89 18.454 -5.424 3.721 1.00 0.00 H new ATOM 1206 N THR A 90 9.957 -2.544 4.585 1.00 0.00 N ATOM 1207 CA THR A 90 8.683 -1.852 4.434 1.00 0.00 C ATOM 1208 C THR A 90 8.867 -0.341 4.506 1.00 0.00 C ATOM 1209 O THR A 90 9.932 0.148 4.882 1.00 0.00 O ATOM 1210 CB THR A 90 7.703 -2.306 5.516 1.00 0.00 C ATOM 1211 OG1 THR A 90 8.346 -2.377 6.777 1.00 0.00 O ATOM 1212 CG2 THR A 90 7.088 -3.659 5.235 1.00 0.00 C ATOM 0 H THR A 90 10.512 -2.236 5.383 1.00 0.00 H new ATOM 0 HA THR A 90 8.279 -2.103 3.453 1.00 0.00 H new ATOM 0 HB THR A 90 6.909 -1.559 5.520 1.00 0.00 H new ATOM 0 HG1 THR A 90 7.702 -2.668 7.457 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.403 -3.922 6.041 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.542 -3.622 4.292 1.00 0.00 H new ATOM 0 HG23 THR A 90 7.875 -4.410 5.169 1.00 0.00 H new ATOM 1220 N ASP A 91 7.819 0.392 4.148 1.00 0.00 N ATOM 1221 CA ASP A 91 7.861 1.846 4.173 1.00 0.00 C ATOM 1222 C ASP A 91 8.271 2.352 5.544 1.00 0.00 C ATOM 1223 O ASP A 91 7.444 2.502 6.444 1.00 0.00 O ATOM 1224 CB ASP A 91 6.506 2.433 3.782 1.00 0.00 C ATOM 1225 CG ASP A 91 5.344 1.651 4.360 1.00 0.00 C ATOM 1226 OD1 ASP A 91 5.055 0.549 3.847 1.00 0.00 O ATOM 1227 OD2 ASP A 91 4.721 2.140 5.326 1.00 0.00 O ATOM 0 H ASP A 91 6.930 0.001 3.837 1.00 0.00 H new ATOM 0 HA ASP A 91 8.606 2.171 3.446 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.450 3.466 4.124 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.422 2.452 2.695 1.00 0.00 H new ATOM 1232 N GLY A 92 9.559 2.606 5.689 1.00 0.00 N ATOM 1233 CA GLY A 92 10.084 3.117 6.940 1.00 0.00 C ATOM 1234 C GLY A 92 11.283 2.337 7.449 1.00 0.00 C ATOM 1235 O GLY A 92 11.539 2.304 8.653 1.00 0.00 O ATOM 0 H GLY A 92 10.257 2.467 4.959 1.00 0.00 H new ATOM 0 HA2 GLY A 92 10.368 4.161 6.808 1.00 0.00 H new ATOM 0 HA3 GLY A 92 9.297 3.093 7.694 1.00 0.00 H new ATOM 1239 N SER A 93 12.027 1.713 6.538 1.00 0.00 N ATOM 1240 CA SER A 93 13.210 0.947 6.916 1.00 0.00 C ATOM 1241 C SER A 93 14.480 1.651 6.449 1.00 0.00 C ATOM 1242 O SER A 93 14.432 2.524 5.583 1.00 0.00 O ATOM 1243 CB SER A 93 13.146 -0.461 6.321 1.00 0.00 C ATOM 1244 OG SER A 93 11.808 -0.845 6.058 1.00 0.00 O ATOM 0 H SER A 93 11.832 1.723 5.537 1.00 0.00 H new ATOM 0 HA SER A 93 13.233 0.872 8.003 1.00 0.00 H new ATOM 0 HB2 SER A 93 13.725 -0.496 5.398 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.602 -1.171 7.011 1.00 0.00 H new ATOM 0 HG SER A 93 11.496 -0.404 5.240 1.00 0.00 H new ATOM 1250 N VAL A 94 15.614 1.269 7.028 1.00 0.00 N ATOM 1251 CA VAL A 94 16.889 1.870 6.667 1.00 0.00 C ATOM 1252 C VAL A 94 17.973 0.810 6.497 1.00 0.00 C ATOM 1253 O VAL A 94 17.895 -0.277 7.070 1.00 0.00 O ATOM 1254 CB VAL A 94 17.340 2.906 7.718 1.00 0.00 C ATOM 1255 CG1 VAL A 94 16.319 4.026 7.824 1.00 0.00 C ATOM 1256 CG2 VAL A 94 18.714 3.466 7.377 1.00 0.00 C ATOM 0 H VAL A 94 15.674 0.548 7.747 1.00 0.00 H new ATOM 0 HA VAL A 94 16.742 2.379 5.714 1.00 0.00 H new ATOM 0 HB VAL A 94 17.411 2.405 8.683 1.00 0.00 H new ATOM 0 HG11 VAL A 94 16.649 4.750 8.569 1.00 0.00 H new ATOM 0 HG12 VAL A 94 16.219 4.520 6.857 1.00 0.00 H new ATOM 0 HG13 VAL A 94 15.355 3.613 8.122 1.00 0.00 H new ATOM 0 HG21 VAL A 94 19.008 4.194 8.133 1.00 0.00 H new ATOM 0 HG22 VAL A 94 19.441 2.655 7.352 1.00 0.00 H new ATOM 0 HG23 VAL A 94 18.677 3.951 6.402 1.00 0.00 H new ATOM 1266 N VAL A 95 18.983 1.142 5.701 1.00 0.00 N ATOM 1267 CA VAL A 95 20.094 0.235 5.443 1.00 0.00 C ATOM 1268 C VAL A 95 21.370 1.012 5.149 1.00 0.00 C ATOM 1269 O VAL A 95 21.329 2.099 4.572 1.00 0.00 O ATOM 1270 CB VAL A 95 19.798 -0.696 4.253 1.00 0.00 C ATOM 1271 CG1 VAL A 95 20.865 -1.771 4.126 1.00 0.00 C ATOM 1272 CG2 VAL A 95 18.422 -1.324 4.391 1.00 0.00 C ATOM 0 H VAL A 95 19.055 2.039 5.221 1.00 0.00 H new ATOM 0 HA VAL A 95 20.227 -0.367 6.342 1.00 0.00 H new ATOM 0 HB VAL A 95 19.812 -0.095 3.344 1.00 0.00 H new ATOM 0 HG11 VAL A 95 20.633 -2.416 3.278 1.00 0.00 H new ATOM 0 HG12 VAL A 95 21.837 -1.302 3.970 1.00 0.00 H new ATOM 0 HG13 VAL A 95 20.891 -2.367 5.038 1.00 0.00 H new ATOM 0 HG21 VAL A 95 18.233 -1.978 3.540 1.00 0.00 H new ATOM 0 HG22 VAL A 95 18.378 -1.905 5.312 1.00 0.00 H new ATOM 0 HG23 VAL A 95 17.665 -0.540 4.421 1.00 0.00 H new ATOM 1282 N THR A 96 22.502 0.446 5.543 1.00 0.00 N ATOM 1283 CA THR A 96 23.792 1.080 5.311 1.00 0.00 C ATOM 1284 C THR A 96 24.543 0.379 4.187 1.00 0.00 C ATOM 1285 O THR A 96 24.624 -0.848 4.149 1.00 0.00 O ATOM 1286 CB THR A 96 24.630 1.070 6.590 1.00 0.00 C ATOM 1287 OG1 THR A 96 24.098 0.152 7.529 1.00 0.00 O ATOM 1288 CG2 THR A 96 24.712 2.422 7.264 1.00 0.00 C ATOM 0 H THR A 96 22.553 -0.451 6.025 1.00 0.00 H new ATOM 0 HA THR A 96 23.614 2.114 5.016 1.00 0.00 H new ATOM 0 HB THR A 96 25.633 0.779 6.277 1.00 0.00 H new ATOM 0 HG1 THR A 96 24.648 0.158 8.340 1.00 0.00 H new ATOM 0 HG21 THR A 96 25.321 2.343 8.165 1.00 0.00 H new ATOM 0 HG22 THR A 96 25.164 3.142 6.582 1.00 0.00 H new ATOM 0 HG23 THR A 96 23.710 2.756 7.532 1.00 0.00 H new ATOM 1296 N TYR A 97 25.082 1.169 3.265 1.00 0.00 N ATOM 1297 CA TYR A 97 25.810 0.626 2.127 1.00 0.00 C ATOM 1298 C TYR A 97 27.297 0.506 2.432 1.00 0.00 C ATOM 1299 O TYR A 97 27.813 1.160 3.338 1.00 0.00 O ATOM 1300 CB TYR A 97 25.595 1.506 0.897 1.00 0.00 C ATOM 1301 CG TYR A 97 24.393 1.110 0.077 1.00 0.00 C ATOM 1302 CD1 TYR A 97 23.144 0.981 0.668 1.00 0.00 C ATOM 1303 CD2 TYR A 97 24.503 0.872 -1.285 1.00 0.00 C ATOM 1304 CE1 TYR A 97 22.039 0.620 -0.075 1.00 0.00 C ATOM 1305 CE2 TYR A 97 23.401 0.513 -2.036 1.00 0.00 C ATOM 1306 CZ TYR A 97 22.171 0.389 -1.427 1.00 0.00 C ATOM 1307 OH TYR A 97 21.071 0.031 -2.171 1.00 0.00 O ATOM 0 H TYR A 97 25.028 2.187 3.284 1.00 0.00 H new ATOM 0 HA TYR A 97 25.424 -0.373 1.924 1.00 0.00 H new ATOM 0 HB2 TYR A 97 25.482 2.542 1.217 1.00 0.00 H new ATOM 0 HB3 TYR A 97 26.484 1.462 0.268 1.00 0.00 H new ATOM 0 HD1 TYR A 97 23.035 1.166 1.726 1.00 0.00 H new ATOM 0 HD2 TYR A 97 25.465 0.969 -1.766 1.00 0.00 H new ATOM 0 HE1 TYR A 97 21.075 0.519 0.401 1.00 0.00 H new ATOM 0 HE2 TYR A 97 23.503 0.330 -3.096 1.00 0.00 H new ATOM 0 HH TYR A 97 21.181 -0.887 -2.497 1.00 0.00 H new ATOM 1317 N SER A 98 27.979 -0.344 1.672 1.00 0.00 N ATOM 1318 CA SER A 98 29.409 -0.562 1.864 1.00 0.00 C ATOM 1319 C SER A 98 30.054 -1.114 0.597 1.00 0.00 C ATOM 1320 O SER A 98 29.415 -1.825 -0.176 1.00 0.00 O ATOM 1321 CB SER A 98 29.646 -1.524 3.029 1.00 0.00 C ATOM 1322 OG SER A 98 29.133 -0.994 4.239 1.00 0.00 O ATOM 0 H SER A 98 27.566 -0.893 0.918 1.00 0.00 H new ATOM 0 HA SER A 98 29.868 0.400 2.093 1.00 0.00 H new ATOM 0 HB2 SER A 98 29.170 -2.481 2.817 1.00 0.00 H new ATOM 0 HB3 SER A 98 30.714 -1.715 3.136 1.00 0.00 H new ATOM 0 HG SER A 98 28.963 -0.035 4.130 1.00 0.00 H new ATOM 1328 N CYS A 99 31.327 -0.786 0.394 1.00 0.00 N ATOM 1329 CA CYS A 99 32.057 -1.245 -0.782 1.00 0.00 C ATOM 1330 C CYS A 99 32.518 -2.690 -0.614 1.00 0.00 C ATOM 1331 O CYS A 99 32.611 -3.198 0.503 1.00 0.00 O ATOM 1332 CB CYS A 99 33.256 -0.337 -1.046 1.00 0.00 C ATOM 1333 SG CYS A 99 32.823 1.427 -1.193 1.00 0.00 S ATOM 0 H CYS A 99 31.874 -0.204 1.029 1.00 0.00 H new ATOM 0 HA CYS A 99 31.382 -1.202 -1.637 1.00 0.00 H new ATOM 0 HB2 CYS A 99 33.977 -0.459 -0.238 1.00 0.00 H new ATOM 0 HB3 CYS A 99 33.749 -0.659 -1.964 1.00 0.00 H new ATOM 1338 N ASN A 100 32.804 -3.347 -1.735 1.00 0.00 N ATOM 1339 CA ASN A 100 33.224 -4.737 -1.725 1.00 0.00 C ATOM 1340 C ASN A 100 34.717 -4.871 -1.447 1.00 0.00 C ATOM 1341 O ASN A 100 35.121 -5.387 -0.404 1.00 0.00 O ATOM 1342 CB ASN A 100 32.891 -5.384 -3.070 1.00 0.00 C ATOM 1343 CG ASN A 100 31.560 -4.921 -3.631 1.00 0.00 C ATOM 1344 OD1 ASN A 100 30.563 -4.845 -2.912 1.00 0.00 O ATOM 1345 ND2 ASN A 100 31.537 -4.611 -4.922 1.00 0.00 N ATOM 0 H ASN A 100 32.751 -2.932 -2.665 1.00 0.00 H new ATOM 0 HA ASN A 100 32.687 -5.245 -0.924 1.00 0.00 H new ATOM 0 HB2 ASN A 100 33.681 -5.154 -3.784 1.00 0.00 H new ATOM 0 HB3 ASN A 100 32.874 -6.468 -2.952 1.00 0.00 H new ATOM 0 HD21 ASN A 100 30.669 -4.295 -5.355 1.00 0.00 H new ATOM 0 HD22 ASN A 100 32.387 -4.689 -5.480 1.00 0.00 H new ATOM 1352 N SER A 101 35.532 -4.433 -2.401 1.00 0.00 N ATOM 1353 CA SER A 101 36.981 -4.531 -2.278 1.00 0.00 C ATOM 1354 C SER A 101 37.521 -3.533 -1.261 1.00 0.00 C ATOM 1355 O SER A 101 38.578 -3.748 -0.667 1.00 0.00 O ATOM 1356 CB SER A 101 37.636 -4.297 -3.639 1.00 0.00 C ATOM 1357 OG SER A 101 38.798 -5.092 -3.792 1.00 0.00 O ATOM 0 H SER A 101 35.212 -4.006 -3.270 1.00 0.00 H new ATOM 0 HA SER A 101 37.223 -5.534 -1.926 1.00 0.00 H new ATOM 0 HB2 SER A 101 36.926 -4.530 -4.432 1.00 0.00 H new ATOM 0 HB3 SER A 101 37.896 -3.244 -3.744 1.00 0.00 H new ATOM 0 HG SER A 101 39.196 -4.924 -4.672 1.00 0.00 H new ATOM 1363 N GLY A 102 36.794 -2.439 -1.066 1.00 0.00 N ATOM 1364 CA GLY A 102 37.220 -1.428 -0.118 1.00 0.00 C ATOM 1365 C GLY A 102 37.270 -0.043 -0.730 1.00 0.00 C ATOM 1366 O GLY A 102 38.162 0.747 -0.423 1.00 0.00 O ATOM 0 H GLY A 102 35.918 -2.235 -1.547 1.00 0.00 H new ATOM 0 HA2 GLY A 102 36.538 -1.422 0.732 1.00 0.00 H new ATOM 0 HA3 GLY A 102 38.206 -1.688 0.266 1.00 0.00 H new ATOM 1370 N TYR A 103 36.309 0.251 -1.599 1.00 0.00 N ATOM 1371 CA TYR A 103 36.235 1.549 -2.244 1.00 0.00 C ATOM 1372 C TYR A 103 35.846 2.620 -1.235 1.00 0.00 C ATOM 1373 O TYR A 103 35.756 2.355 -0.036 1.00 0.00 O ATOM 1374 CB TYR A 103 35.211 1.508 -3.384 1.00 0.00 C ATOM 1375 CG TYR A 103 35.803 1.124 -4.723 1.00 0.00 C ATOM 1376 CD1 TYR A 103 35.846 -0.205 -5.125 1.00 0.00 C ATOM 1377 CD2 TYR A 103 36.312 2.088 -5.588 1.00 0.00 C ATOM 1378 CE1 TYR A 103 36.381 -0.565 -6.347 1.00 0.00 C ATOM 1379 CE2 TYR A 103 36.849 1.734 -6.813 1.00 0.00 C ATOM 1380 CZ TYR A 103 36.881 0.408 -7.186 1.00 0.00 C ATOM 1381 OH TYR A 103 37.415 0.053 -8.404 1.00 0.00 O ATOM 0 H TYR A 103 35.570 -0.397 -1.871 1.00 0.00 H new ATOM 0 HA TYR A 103 37.216 1.793 -2.653 1.00 0.00 H new ATOM 0 HB2 TYR A 103 34.424 0.798 -3.128 1.00 0.00 H new ATOM 0 HB3 TYR A 103 34.740 2.487 -3.473 1.00 0.00 H new ATOM 0 HD1 TYR A 103 35.454 -0.970 -4.471 1.00 0.00 H new ATOM 0 HD2 TYR A 103 36.287 3.128 -5.299 1.00 0.00 H new ATOM 0 HE1 TYR A 103 36.407 -1.603 -6.643 1.00 0.00 H new ATOM 0 HE2 TYR A 103 37.241 2.493 -7.473 1.00 0.00 H new ATOM 0 HH TYR A 103 37.722 0.857 -8.874 1.00 0.00 H new ATOM 1391 N SER A 104 35.618 3.828 -1.725 1.00 0.00 N ATOM 1392 CA SER A 104 35.211 4.933 -0.868 1.00 0.00 C ATOM 1393 C SER A 104 33.748 5.269 -1.109 1.00 0.00 C ATOM 1394 O SER A 104 33.410 5.955 -2.074 1.00 0.00 O ATOM 1395 CB SER A 104 36.078 6.164 -1.127 1.00 0.00 C ATOM 1396 OG SER A 104 37.417 5.796 -1.411 1.00 0.00 O ATOM 0 H SER A 104 35.708 4.070 -2.712 1.00 0.00 H new ATOM 0 HA SER A 104 35.342 4.629 0.171 1.00 0.00 H new ATOM 0 HB2 SER A 104 35.669 6.731 -1.963 1.00 0.00 H new ATOM 0 HB3 SER A 104 36.055 6.819 -0.256 1.00 0.00 H new ATOM 0 HG SER A 104 37.950 6.602 -1.575 1.00 0.00 H new ATOM 1402 N LEU A 105 32.877 4.768 -0.239 1.00 0.00 N ATOM 1403 CA LEU A 105 31.450 4.981 -0.389 1.00 0.00 C ATOM 1404 C LEU A 105 31.126 6.437 -0.658 1.00 0.00 C ATOM 1405 O LEU A 105 31.547 7.337 0.069 1.00 0.00 O ATOM 1406 CB LEU A 105 30.683 4.491 0.828 1.00 0.00 C ATOM 1407 CG LEU A 105 29.342 3.847 0.483 1.00 0.00 C ATOM 1408 CD1 LEU A 105 29.411 2.343 0.675 1.00 0.00 C ATOM 1409 CD2 LEU A 105 28.223 4.457 1.308 1.00 0.00 C ATOM 0 H LEU A 105 33.139 4.212 0.576 1.00 0.00 H new ATOM 0 HA LEU A 105 31.135 4.397 -1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 105 31.296 3.769 1.368 1.00 0.00 H new ATOM 0 HB3 LEU A 105 30.512 5.330 1.502 1.00 0.00 H new ATOM 0 HG LEU A 105 29.123 4.043 -0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 105 28.447 1.900 0.425 1.00 0.00 H new ATOM 0 HD12 LEU A 105 30.181 1.928 0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 105 29.654 2.120 1.714 1.00 0.00 H new ATOM 0 HD21 LEU A 105 27.277 3.983 1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 105 28.425 4.301 2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.162 5.526 1.104 1.00 0.00 H new ATOM 1421 N ILE A 106 30.383 6.647 -1.727 1.00 0.00 N ATOM 1422 CA ILE A 106 29.972 7.978 -2.132 1.00 0.00 C ATOM 1423 C ILE A 106 28.634 8.330 -1.492 1.00 0.00 C ATOM 1424 O ILE A 106 27.830 7.450 -1.197 1.00 0.00 O ATOM 1425 CB ILE A 106 29.869 8.066 -3.668 1.00 0.00 C ATOM 1426 CG1 ILE A 106 31.258 7.943 -4.293 1.00 0.00 C ATOM 1427 CG2 ILE A 106 29.202 9.361 -4.114 1.00 0.00 C ATOM 1428 CD1 ILE A 106 32.210 9.040 -3.870 1.00 0.00 C ATOM 0 H ILE A 106 30.048 5.902 -2.338 1.00 0.00 H new ATOM 0 HA ILE A 106 30.723 8.693 -1.795 1.00 0.00 H new ATOM 0 HB ILE A 106 29.245 7.240 -4.009 1.00 0.00 H new ATOM 0 HG12 ILE A 106 31.685 6.978 -4.022 1.00 0.00 H new ATOM 0 HG13 ILE A 106 31.162 7.955 -5.379 1.00 0.00 H new ATOM 0 HG21 ILE A 106 29.148 9.386 -5.202 1.00 0.00 H new ATOM 0 HG22 ILE A 106 28.195 9.413 -3.699 1.00 0.00 H new ATOM 0 HG23 ILE A 106 29.785 10.211 -3.760 1.00 0.00 H new ATOM 0 HD11 ILE A 106 33.176 8.889 -4.352 1.00 0.00 H new ATOM 0 HD12 ILE A 106 31.804 10.008 -4.165 1.00 0.00 H new ATOM 0 HD13 ILE A 106 32.336 9.015 -2.788 1.00 0.00 H new ATOM 1440 N GLY A 107 28.405 9.617 -1.279 1.00 0.00 N ATOM 1441 CA GLY A 107 27.171 10.052 -0.659 1.00 0.00 C ATOM 1442 C GLY A 107 27.007 9.487 0.738 1.00 0.00 C ATOM 1443 O GLY A 107 27.961 9.452 1.516 1.00 0.00 O ATOM 0 H GLY A 107 29.051 10.367 -1.524 1.00 0.00 H new ATOM 0 HA2 GLY A 107 27.152 11.141 -0.614 1.00 0.00 H new ATOM 0 HA3 GLY A 107 26.327 9.744 -1.276 1.00 0.00 H new ATOM 1447 N ASN A 108 25.803 9.024 1.052 1.00 0.00 N ATOM 1448 CA ASN A 108 25.522 8.461 2.364 1.00 0.00 C ATOM 1449 C ASN A 108 25.253 6.963 2.279 1.00 0.00 C ATOM 1450 O ASN A 108 24.550 6.496 1.383 1.00 0.00 O ATOM 1451 CB ASN A 108 24.323 9.169 2.989 1.00 0.00 C ATOM 1452 CG ASN A 108 23.077 9.070 2.132 1.00 0.00 C ATOM 1453 OD1 ASN A 108 22.166 8.299 2.428 1.00 0.00 O ATOM 1454 ND2 ASN A 108 23.028 9.860 1.066 1.00 0.00 N ATOM 0 H ASN A 108 25.006 9.028 0.415 1.00 0.00 H new ATOM 0 HA ASN A 108 26.401 8.612 2.990 1.00 0.00 H new ATOM 0 HB2 ASN A 108 24.121 8.737 3.969 1.00 0.00 H new ATOM 0 HB3 ASN A 108 24.568 10.219 3.148 1.00 0.00 H new ATOM 0 HD21 ASN A 108 22.211 9.842 0.455 1.00 0.00 H new ATOM 0 HD22 ASN A 108 23.807 10.485 0.858 1.00 0.00 H new ATOM 1461 N SER A 109 25.814 6.219 3.225 1.00 0.00 N ATOM 1462 CA SER A 109 25.634 4.778 3.279 1.00 0.00 C ATOM 1463 C SER A 109 24.193 4.426 3.625 1.00 0.00 C ATOM 1464 O SER A 109 23.693 3.365 3.253 1.00 0.00 O ATOM 1465 CB SER A 109 26.589 4.185 4.314 1.00 0.00 C ATOM 1466 OG SER A 109 25.969 4.070 5.582 1.00 0.00 O ATOM 0 H SER A 109 26.401 6.596 3.969 1.00 0.00 H new ATOM 0 HA SER A 109 25.857 4.357 2.299 1.00 0.00 H new ATOM 0 HB2 SER A 109 26.925 3.203 3.981 1.00 0.00 H new ATOM 0 HB3 SER A 109 27.475 4.814 4.396 1.00 0.00 H new ATOM 0 HG SER A 109 26.609 4.315 6.283 1.00 0.00 H new ATOM 1472 N GLY A 110 23.527 5.336 4.325 1.00 0.00 N ATOM 1473 CA GLY A 110 22.152 5.108 4.729 1.00 0.00 C ATOM 1474 C GLY A 110 21.172 5.196 3.574 1.00 0.00 C ATOM 1475 O GLY A 110 21.297 6.061 2.708 1.00 0.00 O ATOM 0 H GLY A 110 23.916 6.231 4.621 1.00 0.00 H new ATOM 0 HA2 GLY A 110 22.073 4.124 5.191 1.00 0.00 H new ATOM 0 HA3 GLY A 110 21.876 5.839 5.489 1.00 0.00 H new ATOM 1479 N VAL A 111 20.195 4.295 3.561 1.00 0.00 N ATOM 1480 CA VAL A 111 19.176 4.277 2.515 1.00 0.00 C ATOM 1481 C VAL A 111 17.792 4.085 3.120 1.00 0.00 C ATOM 1482 O VAL A 111 17.571 3.153 3.890 1.00 0.00 O ATOM 1483 CB VAL A 111 19.427 3.161 1.490 1.00 0.00 C ATOM 1484 CG1 VAL A 111 18.700 3.463 0.191 1.00 0.00 C ATOM 1485 CG2 VAL A 111 20.915 2.970 1.241 1.00 0.00 C ATOM 0 H VAL A 111 20.086 3.565 4.265 1.00 0.00 H new ATOM 0 HA VAL A 111 19.231 5.238 2.004 1.00 0.00 H new ATOM 0 HB VAL A 111 19.035 2.230 1.899 1.00 0.00 H new ATOM 0 HG11 VAL A 111 18.888 2.663 -0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 111 17.629 3.536 0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 111 19.061 4.407 -0.217 1.00 0.00 H new ATOM 0 HG21 VAL A 111 21.063 2.174 0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 111 21.342 3.897 0.858 1.00 0.00 H new ATOM 0 HG23 VAL A 111 21.409 2.702 2.175 1.00 0.00 H new ATOM 1495 N LEU A 112 16.860 4.964 2.767 1.00 0.00 N ATOM 1496 CA LEU A 112 15.507 4.893 3.308 1.00 0.00 C ATOM 1497 C LEU A 112 14.609 3.988 2.471 1.00 0.00 C ATOM 1498 O LEU A 112 14.456 4.187 1.265 1.00 0.00 O ATOM 1499 CB LEU A 112 14.892 6.294 3.386 1.00 0.00 C ATOM 1500 CG LEU A 112 13.388 6.332 3.687 1.00 0.00 C ATOM 1501 CD1 LEU A 112 12.867 7.759 3.619 1.00 0.00 C ATOM 1502 CD2 LEU A 112 13.101 5.722 5.050 1.00 0.00 C ATOM 0 H LEU A 112 17.015 5.730 2.112 1.00 0.00 H new ATOM 0 HA LEU A 112 15.579 4.467 4.309 1.00 0.00 H new ATOM 0 HB2 LEU A 112 15.415 6.860 4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 112 15.070 6.805 2.439 1.00 0.00 H new ATOM 0 HG LEU A 112 12.870 5.741 2.931 1.00 0.00 H new ATOM 0 HD11 LEU A 112 11.799 7.767 3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 112 13.390 8.373 4.352 1.00 0.00 H new ATOM 0 HD13 LEU A 112 13.038 8.162 2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.029 5.758 5.246 1.00 0.00 H new ATOM 0 HD22 LEU A 112 13.438 4.685 5.063 1.00 0.00 H new ATOM 0 HD23 LEU A 112 13.630 6.285 5.819 1.00 0.00 H new ATOM 1514 N CYS A 113 13.984 3.018 3.130 1.00 0.00 N ATOM 1515 CA CYS A 113 13.040 2.130 2.471 1.00 0.00 C ATOM 1516 C CYS A 113 11.642 2.721 2.567 1.00 0.00 C ATOM 1517 O CYS A 113 11.006 2.664 3.620 1.00 0.00 O ATOM 1518 CB CYS A 113 13.067 0.747 3.120 1.00 0.00 C ATOM 1519 SG CYS A 113 11.722 -0.363 2.588 1.00 0.00 S ATOM 0 H CYS A 113 14.117 2.828 4.123 1.00 0.00 H new ATOM 0 HA CYS A 113 13.321 2.025 1.423 1.00 0.00 H new ATOM 0 HB2 CYS A 113 14.023 0.273 2.896 1.00 0.00 H new ATOM 0 HB3 CYS A 113 13.016 0.866 4.202 1.00 0.00 H new ATOM 1524 N SER A 114 11.189 3.333 1.483 1.00 0.00 N ATOM 1525 CA SER A 114 9.881 3.972 1.466 1.00 0.00 C ATOM 1526 C SER A 114 9.201 3.810 0.114 1.00 0.00 C ATOM 1527 O SER A 114 9.850 3.532 -0.894 1.00 0.00 O ATOM 1528 CB SER A 114 10.017 5.459 1.800 1.00 0.00 C ATOM 1529 OG SER A 114 9.194 5.812 2.898 1.00 0.00 O ATOM 0 H SER A 114 11.706 3.401 0.606 1.00 0.00 H new ATOM 0 HA SER A 114 9.262 3.484 2.219 1.00 0.00 H new ATOM 0 HB2 SER A 114 11.057 5.689 2.032 1.00 0.00 H new ATOM 0 HB3 SER A 114 9.745 6.057 0.930 1.00 0.00 H new ATOM 0 HG SER A 114 9.300 6.767 3.093 1.00 0.00 H new ATOM 1535 N GLY A 115 7.886 3.994 0.105 1.00 0.00 N ATOM 1536 CA GLY A 115 7.121 3.875 -1.124 1.00 0.00 C ATOM 1537 C GLY A 115 7.473 2.629 -1.913 1.00 0.00 C ATOM 1538 O GLY A 115 7.386 2.620 -3.141 1.00 0.00 O ATOM 0 H GLY A 115 7.333 4.225 0.930 1.00 0.00 H new ATOM 0 HA2 GLY A 115 6.058 3.861 -0.885 1.00 0.00 H new ATOM 0 HA3 GLY A 115 7.297 4.754 -1.744 1.00 0.00 H new ATOM 1542 N GLY A 116 7.867 1.574 -1.208 1.00 0.00 N ATOM 1543 CA GLY A 116 8.241 0.340 -1.873 1.00 0.00 C ATOM 1544 C GLY A 116 9.530 0.481 -2.660 1.00 0.00 C ATOM 1545 O GLY A 116 9.811 -0.318 -3.554 1.00 0.00 O ATOM 0 H GLY A 116 7.934 1.551 -0.190 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.355 -0.450 -1.131 1.00 0.00 H new ATOM 0 HA3 GLY A 116 7.439 0.034 -2.545 1.00 0.00 H new ATOM 1549 N GLU A 117 10.312 1.505 -2.330 1.00 0.00 N ATOM 1550 CA GLU A 117 11.578 1.753 -3.004 1.00 0.00 C ATOM 1551 C GLU A 117 12.608 2.297 -2.022 1.00 0.00 C ATOM 1552 O GLU A 117 12.314 2.487 -0.841 1.00 0.00 O ATOM 1553 CB GLU A 117 11.383 2.743 -4.154 1.00 0.00 C ATOM 1554 CG GLU A 117 10.771 2.119 -5.398 1.00 0.00 C ATOM 1555 CD GLU A 117 11.534 2.467 -6.660 1.00 0.00 C ATOM 1556 OE1 GLU A 117 12.342 1.631 -7.115 1.00 0.00 O ATOM 1557 OE2 GLU A 117 11.325 3.577 -7.193 1.00 0.00 O ATOM 0 H GLU A 117 10.088 2.178 -1.597 1.00 0.00 H new ATOM 0 HA GLU A 117 11.942 0.808 -3.407 1.00 0.00 H new ATOM 0 HB2 GLU A 117 10.744 3.559 -3.815 1.00 0.00 H new ATOM 0 HB3 GLU A 117 12.347 3.180 -4.414 1.00 0.00 H new ATOM 0 HG2 GLU A 117 10.744 1.036 -5.281 1.00 0.00 H new ATOM 0 HG3 GLU A 117 9.739 2.454 -5.498 1.00 0.00 H new ATOM 1564 N TRP A 118 13.812 2.555 -2.515 1.00 0.00 N ATOM 1565 CA TRP A 118 14.883 3.068 -1.678 1.00 0.00 C ATOM 1566 C TRP A 118 15.299 4.465 -2.120 1.00 0.00 C ATOM 1567 O TRP A 118 15.158 4.826 -3.288 1.00 0.00 O ATOM 1568 CB TRP A 118 16.075 2.120 -1.734 1.00 0.00 C ATOM 1569 CG TRP A 118 15.789 0.784 -1.124 1.00 0.00 C ATOM 1570 CD1 TRP A 118 15.284 -0.313 -1.760 1.00 0.00 C ATOM 1571 CD2 TRP A 118 15.970 0.408 0.245 1.00 0.00 C ATOM 1572 NE1 TRP A 118 15.150 -1.351 -0.872 1.00 0.00 N ATOM 1573 CE2 TRP A 118 15.564 -0.933 0.364 1.00 0.00 C ATOM 1574 CE3 TRP A 118 16.441 1.073 1.381 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 15.614 -1.622 1.571 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 16.490 0.386 2.581 1.00 0.00 C ATOM 1577 CH2 TRP A 118 16.082 -0.951 2.666 1.00 0.00 C ATOM 0 H TRP A 118 14.070 2.416 -3.492 1.00 0.00 H new ATOM 0 HA TRP A 118 14.522 3.134 -0.652 1.00 0.00 H new ATOM 0 HB2 TRP A 118 16.374 1.982 -2.773 1.00 0.00 H new ATOM 0 HB3 TRP A 118 16.919 2.576 -1.217 1.00 0.00 H new ATOM 0 HD1 TRP A 118 15.027 -0.358 -2.808 1.00 0.00 H new ATOM 0 HE1 TRP A 118 14.799 -2.282 -1.096 1.00 0.00 H new ATOM 0 HE3 TRP A 118 16.760 2.103 1.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 15.294 -2.651 1.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 16.849 0.889 3.467 1.00 0.00 H new ATOM 0 HH2 TRP A 118 16.138 -1.462 3.616 1.00 0.00 H new ATOM 1588 N SER A 119 15.806 5.250 -1.176 1.00 0.00 N ATOM 1589 CA SER A 119 16.230 6.612 -1.466 1.00 0.00 C ATOM 1590 C SER A 119 17.599 6.905 -0.861 1.00 0.00 C ATOM 1591 O SER A 119 18.015 6.263 0.104 1.00 0.00 O ATOM 1592 CB SER A 119 15.203 7.610 -0.928 1.00 0.00 C ATOM 1593 OG SER A 119 14.258 6.968 -0.089 1.00 0.00 O ATOM 0 H SER A 119 15.933 4.966 -0.205 1.00 0.00 H new ATOM 0 HA SER A 119 16.304 6.716 -2.548 1.00 0.00 H new ATOM 0 HB2 SER A 119 15.713 8.397 -0.372 1.00 0.00 H new ATOM 0 HB3 SER A 119 14.688 8.091 -1.760 1.00 0.00 H new ATOM 0 HG SER A 119 13.614 7.628 0.243 1.00 0.00 H new ATOM 1599 N ASP A 120 18.289 7.882 -1.438 1.00 0.00 N ATOM 1600 CA ASP A 120 19.603 8.286 -0.957 1.00 0.00 C ATOM 1601 C ASP A 120 20.621 7.147 -1.054 1.00 0.00 C ATOM 1602 O ASP A 120 21.385 6.906 -0.118 1.00 0.00 O ATOM 1603 CB ASP A 120 19.494 8.778 0.488 1.00 0.00 C ATOM 1604 CG ASP A 120 19.687 10.277 0.605 1.00 0.00 C ATOM 1605 OD1 ASP A 120 19.037 11.021 -0.160 1.00 0.00 O ATOM 1606 OD2 ASP A 120 20.486 10.708 1.462 1.00 0.00 O ATOM 0 H ASP A 120 17.957 8.411 -2.244 1.00 0.00 H new ATOM 0 HA ASP A 120 19.960 9.096 -1.594 1.00 0.00 H new ATOM 0 HB2 ASP A 120 18.517 8.508 0.888 1.00 0.00 H new ATOM 0 HB3 ASP A 120 20.240 8.270 1.099 1.00 0.00 H new ATOM 1611 N PRO A 121 20.674 6.447 -2.202 1.00 0.00 N ATOM 1612 CA PRO A 121 21.635 5.363 -2.417 1.00 0.00 C ATOM 1613 C PRO A 121 23.024 5.902 -2.751 1.00 0.00 C ATOM 1614 O PRO A 121 23.157 6.846 -3.530 1.00 0.00 O ATOM 1615 CB PRO A 121 21.048 4.615 -3.610 1.00 0.00 C ATOM 1616 CG PRO A 121 20.336 5.667 -4.391 1.00 0.00 C ATOM 1617 CD PRO A 121 19.823 6.669 -3.386 1.00 0.00 C ATOM 0 HA PRO A 121 21.771 4.739 -1.533 1.00 0.00 H new ATOM 0 HB2 PRO A 121 21.828 4.139 -4.204 1.00 0.00 H new ATOM 0 HB3 PRO A 121 20.366 3.828 -3.289 1.00 0.00 H new ATOM 0 HG2 PRO A 121 21.008 6.142 -5.105 1.00 0.00 H new ATOM 0 HG3 PRO A 121 19.515 5.236 -4.964 1.00 0.00 H new ATOM 0 HD2 PRO A 121 19.913 7.690 -3.757 1.00 0.00 H new ATOM 0 HD3 PRO A 121 18.770 6.504 -3.158 1.00 0.00 H new ATOM 1625 N PRO A 122 24.081 5.318 -2.165 1.00 0.00 N ATOM 1626 CA PRO A 122 25.447 5.771 -2.382 1.00 0.00 C ATOM 1627 C PRO A 122 26.149 5.056 -3.522 1.00 0.00 C ATOM 1628 O PRO A 122 25.557 4.248 -4.236 1.00 0.00 O ATOM 1629 CB PRO A 122 26.130 5.419 -1.066 1.00 0.00 C ATOM 1630 CG PRO A 122 25.386 4.231 -0.540 1.00 0.00 C ATOM 1631 CD PRO A 122 24.031 4.203 -1.207 1.00 0.00 C ATOM 0 HA PRO A 122 25.476 6.826 -2.654 1.00 0.00 H new ATOM 0 HB2 PRO A 122 27.184 5.187 -1.220 1.00 0.00 H new ATOM 0 HB3 PRO A 122 26.086 6.252 -0.365 1.00 0.00 H new ATOM 0 HG2 PRO A 122 25.934 3.313 -0.750 1.00 0.00 H new ATOM 0 HG3 PRO A 122 25.278 4.297 0.543 1.00 0.00 H new ATOM 0 HD2 PRO A 122 23.854 3.252 -1.710 1.00 0.00 H new ATOM 0 HD3 PRO A 122 23.227 4.335 -0.483 1.00 0.00 H new ATOM 1639 N THR A 123 27.429 5.358 -3.659 1.00 0.00 N ATOM 1640 CA THR A 123 28.276 4.728 -4.663 1.00 0.00 C ATOM 1641 C THR A 123 29.539 4.205 -3.998 1.00 0.00 C ATOM 1642 O THR A 123 29.645 4.210 -2.775 1.00 0.00 O ATOM 1643 CB THR A 123 28.638 5.726 -5.770 1.00 0.00 C ATOM 1644 OG1 THR A 123 27.780 6.852 -5.727 1.00 0.00 O ATOM 1645 CG2 THR A 123 28.560 5.142 -7.163 1.00 0.00 C ATOM 0 H THR A 123 27.911 6.045 -3.080 1.00 0.00 H new ATOM 0 HA THR A 123 27.732 3.900 -5.117 1.00 0.00 H new ATOM 0 HB THR A 123 29.673 6.006 -5.574 1.00 0.00 H new ATOM 0 HG1 THR A 123 28.027 7.479 -6.439 1.00 0.00 H new ATOM 0 HG21 THR A 123 28.829 5.905 -7.893 1.00 0.00 H new ATOM 0 HG22 THR A 123 29.250 4.302 -7.245 1.00 0.00 H new ATOM 0 HG23 THR A 123 27.544 4.797 -7.357 1.00 0.00 H new ATOM 1653 N CYS A 124 30.491 3.757 -4.799 1.00 0.00 N ATOM 1654 CA CYS A 124 31.753 3.264 -4.270 1.00 0.00 C ATOM 1655 C CYS A 124 32.893 3.621 -5.207 1.00 0.00 C ATOM 1656 O CYS A 124 33.237 2.857 -6.109 1.00 0.00 O ATOM 1657 CB CYS A 124 31.698 1.754 -4.059 1.00 0.00 C ATOM 1658 SG CYS A 124 31.012 1.260 -2.445 1.00 0.00 S ATOM 0 H CYS A 124 30.415 3.724 -5.816 1.00 0.00 H new ATOM 0 HA CYS A 124 31.928 3.740 -3.305 1.00 0.00 H new ATOM 0 HB2 CYS A 124 31.096 1.308 -4.851 1.00 0.00 H new ATOM 0 HB3 CYS A 124 32.704 1.346 -4.155 1.00 0.00 H new ATOM 1663 N GLN A 125 33.458 4.799 -4.998 1.00 0.00 N ATOM 1664 CA GLN A 125 34.530 5.286 -5.844 1.00 0.00 C ATOM 1665 C GLN A 125 35.809 5.496 -5.056 1.00 0.00 C ATOM 1666 O GLN A 125 35.869 5.242 -3.853 1.00 0.00 O ATOM 1667 CB GLN A 125 34.109 6.598 -6.506 1.00 0.00 C ATOM 1668 CG GLN A 125 33.390 6.431 -7.840 1.00 0.00 C ATOM 1669 CD GLN A 125 32.600 5.140 -7.955 1.00 0.00 C ATOM 1670 OE1 GLN A 125 31.359 5.166 -7.489 1.00 0.00 O flip ATOM 1671 NE2 GLN A 125 33.100 4.133 -8.457 1.00 0.00 N flip ATOM 0 H GLN A 125 33.190 5.435 -4.247 1.00 0.00 H new ATOM 0 HA GLN A 125 34.726 4.533 -6.607 1.00 0.00 H new ATOM 0 HB2 GLN A 125 33.458 7.143 -5.822 1.00 0.00 H new ATOM 0 HB3 GLN A 125 34.995 7.213 -6.660 1.00 0.00 H new ATOM 0 HG2 GLN A 125 32.714 7.273 -7.985 1.00 0.00 H new ATOM 0 HG3 GLN A 125 34.124 6.469 -8.645 1.00 0.00 H new ATOM 0 HE21 GLN A 125 34.059 4.158 -8.803 1.00 0.00 H new ATOM 0 HE22 GLN A 125 32.555 3.274 -8.527 1.00 0.00 H new ATOM 1680 N ILE A 126 36.829 5.959 -5.756 1.00 0.00 N ATOM 1681 CA ILE A 126 38.126 6.206 -5.150 1.00 0.00 C ATOM 1682 C ILE A 126 38.356 7.697 -4.947 1.00 0.00 C ATOM 1683 O ILE A 126 39.119 8.330 -5.678 1.00 0.00 O ATOM 1684 CB ILE A 126 39.252 5.616 -6.012 1.00 0.00 C ATOM 1685 CG1 ILE A 126 39.021 4.120 -6.199 1.00 0.00 C ATOM 1686 CG2 ILE A 126 40.608 5.877 -5.379 1.00 0.00 C ATOM 1687 CD1 ILE A 126 39.173 3.324 -4.924 1.00 0.00 C ATOM 0 H ILE A 126 36.784 6.173 -6.752 1.00 0.00 H new ATOM 0 HA ILE A 126 38.136 5.716 -4.176 1.00 0.00 H new ATOM 0 HB ILE A 126 39.243 6.101 -6.988 1.00 0.00 H new ATOM 0 HG12 ILE A 126 38.020 3.962 -6.600 1.00 0.00 H new ATOM 0 HG13 ILE A 126 39.724 3.741 -6.941 1.00 0.00 H new ATOM 0 HG21 ILE A 126 41.391 5.450 -6.006 1.00 0.00 H new ATOM 0 HG22 ILE A 126 40.764 6.952 -5.284 1.00 0.00 H new ATOM 0 HG23 ILE A 126 40.643 5.417 -4.392 1.00 0.00 H new ATOM 0 HD11 ILE A 126 38.995 2.269 -5.131 1.00 0.00 H new ATOM 0 HD12 ILE A 126 40.182 3.452 -4.533 1.00 0.00 H new ATOM 0 HD13 ILE A 126 38.451 3.676 -4.187 1.00 0.00 H new TER 1699 ILE A 126