USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 674 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 65 ASN : amide:sc= 1.07 K(o=2.3,f=0.085) USER MOD Set 1.2: A 71 THR OG1 : rot -133:sc= 1.2 USER MOD Set 2.1: A 2 GLN : amide:sc= 0 K(o=-0.038,f=-2.7!) USER MOD Set 2.2: A 4 ASN : amide:sc= 0.196 K(o=-0.038,f=-9.8) USER MOD Set 2.3: A 68 HIS : no HE2:sc= 0.128 K(o=-0.038,f=-7!) USER MOD Set 2.4: A 69 THR OG1 : rot 3:sc= 0.0819 USER MOD Set 2.5: A 89 ASN : amide:sc= -0.445! C(o=-0.038!,f=-8!) USER MOD Single : A 1 MET CE :methyl -163:sc= -0.0768 (180deg=-0.516) USER MOD Single : A 1 MET N :NH3+ -169:sc=-0.00799 (180deg=-0.144) USER MOD Single : A 7 ASN : amide:sc= -0.443 K(o=-0.44,f=-1.3) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.833 K(o=0.83,f=-7.2!) USER MOD Single : A 29 HIS : no HD1:sc= -0.0062 X(o=-0.0062,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 120:sc= -0.0196 USER MOD Single : A 34 SER OG : rot 28:sc= 0.151 USER MOD Single : A 36 ASN : amide:sc= -2.38! K(o=-2.4!,f=-1.1) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.837 K(o=0.84,f=-4.6!) USER MOD Single : A 45 ASN : amide:sc= -4.59! C(o=-4.6!,f=-7.1!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 50:sc= -0.256 USER MOD Single : A 57 SER OG : rot -150:sc= -0.272 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -157:sc= -0.0703 (180deg=-0.429) USER MOD Single : A 62 THR OG1 : rot 31:sc= 0.0226 USER MOD Single : A 73 SER OG : rot -121:sc= -0.648! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot -80:sc= -1.83! USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -173:sc= -3.34! (180deg=-3.53!) USER MOD Single : A 90 TYR OH : rot 163:sc= 1.25 USER MOD Single : A 94 ASN : amide:sc= -1.54! C(o=-1.5!,f=-6.9!) USER MOD Single : A 95 SER OG : rot 167:sc= 1.23 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot -15:sc= 0.823 USER MOD Single : A 106 ASN : amide:sc= -0.631 K(o=-0.63,f=0) USER MOD Single : A 109 HIS : no HD1:sc= -1.72! C(o=-1.7!,f=-3.1!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot -43:sc= 0.186 USER MOD Single : A 114 SER OG : rot -55:sc= 0.00555 USER MOD Single : A 115 SER OG : rot -172:sc= 1.32 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.462 -6.165 -1.094 1.00 0.00 N ATOM 2 CA MET A 1 17.134 -6.765 -1.357 1.00 0.00 C ATOM 3 C MET A 1 16.040 -5.722 -1.173 1.00 0.00 C ATOM 4 O MET A 1 16.094 -4.915 -0.245 1.00 0.00 O ATOM 5 CB MET A 1 16.881 -7.950 -0.417 1.00 0.00 C ATOM 6 CG MET A 1 17.850 -9.109 -0.604 1.00 0.00 C ATOM 7 SD MET A 1 17.716 -9.885 -2.227 1.00 0.00 S ATOM 8 CE MET A 1 16.048 -10.537 -2.165 1.00 0.00 C ATOM 0 H1 MET A 1 19.207 -6.823 -1.400 1.00 0.00 H new ATOM 0 H2 MET A 1 18.550 -5.273 -1.621 1.00 0.00 H new ATOM 0 H3 MET A 1 18.563 -5.977 -0.076 1.00 0.00 H new ATOM 0 HA MET A 1 17.119 -7.124 -2.386 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.942 -7.602 0.614 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.864 -8.312 -0.571 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.869 -8.750 -0.462 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.666 -9.857 0.167 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.921 -11.287 -2.946 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.872 -10.994 -1.191 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.335 -9.727 -2.320 1.00 0.00 H new ATOM 18 N GLN A 2 15.053 -5.738 -2.053 1.00 0.00 N ATOM 19 CA GLN A 2 13.952 -4.792 -1.980 1.00 0.00 C ATOM 20 C GLN A 2 12.685 -5.502 -1.513 1.00 0.00 C ATOM 21 O GLN A 2 12.535 -6.703 -1.736 1.00 0.00 O ATOM 22 CB GLN A 2 13.741 -4.126 -3.343 1.00 0.00 C ATOM 23 CG GLN A 2 12.661 -3.059 -3.350 1.00 0.00 C ATOM 24 CD GLN A 2 12.687 -2.223 -4.613 1.00 0.00 C ATOM 25 OE1 GLN A 2 12.043 -2.551 -5.610 1.00 0.00 O ATOM 26 NE2 GLN A 2 13.435 -1.132 -4.577 1.00 0.00 N ATOM 0 H GLN A 2 14.992 -6.398 -2.829 1.00 0.00 H new ATOM 0 HA GLN A 2 14.193 -4.014 -1.256 1.00 0.00 H new ATOM 0 HB2 GLN A 2 14.681 -3.679 -3.666 1.00 0.00 H new ATOM 0 HB3 GLN A 2 13.484 -4.892 -4.074 1.00 0.00 H new ATOM 0 HG2 GLN A 2 11.684 -3.533 -3.251 1.00 0.00 H new ATOM 0 HG3 GLN A 2 12.790 -2.409 -2.484 1.00 0.00 H new ATOM 0 HE21 GLN A 2 13.953 -0.896 -3.730 1.00 0.00 H new ATOM 0 HE22 GLN A 2 13.494 -0.527 -5.396 1.00 0.00 H new ATOM 33 N CYS A 3 11.798 -4.765 -0.849 1.00 0.00 N ATOM 34 CA CYS A 3 10.548 -5.321 -0.326 1.00 0.00 C ATOM 35 C CYS A 3 9.731 -6.045 -1.401 1.00 0.00 C ATOM 36 O CYS A 3 9.797 -7.273 -1.495 1.00 0.00 O ATOM 37 CB CYS A 3 9.725 -4.212 0.329 1.00 0.00 C ATOM 38 SG CYS A 3 10.437 -3.581 1.885 1.00 0.00 S ATOM 0 H CYS A 3 11.922 -3.771 -0.658 1.00 0.00 H new ATOM 0 HA CYS A 3 10.807 -6.071 0.421 1.00 0.00 H new ATOM 0 HB2 CYS A 3 9.624 -3.385 -0.374 1.00 0.00 H new ATOM 0 HB3 CYS A 3 8.721 -4.587 0.527 1.00 0.00 H new ATOM 42 N ASN A 4 8.962 -5.293 -2.203 1.00 0.00 N ATOM 43 CA ASN A 4 8.145 -5.878 -3.278 1.00 0.00 C ATOM 44 C ASN A 4 7.230 -6.989 -2.758 1.00 0.00 C ATOM 45 O ASN A 4 7.518 -8.172 -2.949 1.00 0.00 O ATOM 46 CB ASN A 4 9.051 -6.435 -4.383 1.00 0.00 C ATOM 47 CG ASN A 4 9.748 -5.355 -5.177 1.00 0.00 C ATOM 48 OD1 ASN A 4 9.185 -4.295 -5.430 1.00 0.00 O ATOM 49 ND2 ASN A 4 10.987 -5.613 -5.566 1.00 0.00 N ATOM 0 H ASN A 4 8.889 -4.278 -2.128 1.00 0.00 H new ATOM 0 HA ASN A 4 7.516 -5.084 -3.680 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.799 -7.089 -3.936 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.455 -7.048 -5.059 1.00 0.00 H new ATOM 0 HD21 ASN A 4 11.510 -4.917 -6.097 1.00 0.00 H new ATOM 0 HD22 ASN A 4 11.418 -6.508 -5.334 1.00 0.00 H new ATOM 55 N PHE A 5 6.119 -6.619 -2.119 1.00 0.00 N ATOM 56 CA PHE A 5 5.191 -7.617 -1.582 1.00 0.00 C ATOM 57 C PHE A 5 4.698 -8.574 -2.677 1.00 0.00 C ATOM 58 O PHE A 5 4.547 -9.773 -2.449 1.00 0.00 O ATOM 59 CB PHE A 5 3.991 -6.927 -0.910 1.00 0.00 C ATOM 60 CG PHE A 5 2.961 -6.384 -1.868 1.00 0.00 C ATOM 61 CD1 PHE A 5 3.270 -5.353 -2.745 1.00 0.00 C ATOM 62 CD2 PHE A 5 1.682 -6.917 -1.896 1.00 0.00 C ATOM 63 CE1 PHE A 5 2.321 -4.860 -3.620 1.00 0.00 C ATOM 64 CE2 PHE A 5 0.730 -6.428 -2.769 1.00 0.00 C ATOM 65 CZ PHE A 5 1.051 -5.401 -3.635 1.00 0.00 C ATOM 0 H PHE A 5 5.842 -5.650 -1.962 1.00 0.00 H new ATOM 0 HA PHE A 5 5.731 -8.203 -0.838 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.507 -7.639 -0.242 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.359 -6.109 -0.291 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.264 -4.931 -2.743 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.426 -7.725 -1.227 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.573 -4.052 -4.291 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.265 -6.848 -2.775 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.310 -5.022 -4.323 1.00 0.00 H new ATOM 74 N ALA A 6 4.496 -8.032 -3.873 1.00 0.00 N ATOM 75 CA ALA A 6 3.994 -8.792 -5.014 1.00 0.00 C ATOM 76 C ALA A 6 4.965 -9.865 -5.496 1.00 0.00 C ATOM 77 O ALA A 6 4.553 -10.830 -6.137 1.00 0.00 O ATOM 78 CB ALA A 6 3.667 -7.835 -6.141 1.00 0.00 C ATOM 0 H ALA A 6 4.676 -7.050 -4.080 1.00 0.00 H new ATOM 0 HA ALA A 6 3.097 -9.319 -4.687 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.291 -8.396 -6.997 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.907 -7.128 -5.809 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.567 -7.292 -6.430 1.00 0.00 H new ATOM 84 N ASN A 7 6.246 -9.710 -5.175 1.00 0.00 N ATOM 85 CA ASN A 7 7.266 -10.671 -5.601 1.00 0.00 C ATOM 86 C ASN A 7 7.009 -12.065 -5.036 1.00 0.00 C ATOM 87 O ASN A 7 7.558 -13.053 -5.528 1.00 0.00 O ATOM 88 CB ASN A 7 8.666 -10.206 -5.200 1.00 0.00 C ATOM 89 CG ASN A 7 9.300 -9.291 -6.234 1.00 0.00 C ATOM 90 OD1 ASN A 7 8.610 -8.586 -6.968 1.00 0.00 O ATOM 91 ND2 ASN A 7 10.624 -9.290 -6.292 1.00 0.00 N ATOM 0 H ASN A 7 6.605 -8.931 -4.623 1.00 0.00 H new ATOM 0 HA ASN A 7 7.206 -10.726 -6.688 1.00 0.00 H new ATOM 0 HB2 ASN A 7 8.611 -9.684 -4.245 1.00 0.00 H new ATOM 0 HB3 ASN A 7 9.305 -11.077 -5.051 1.00 0.00 H new ATOM 0 HD21 ASN A 7 11.105 -8.690 -6.962 1.00 0.00 H new ATOM 0 HD22 ASN A 7 11.162 -9.889 -5.666 1.00 0.00 H new ATOM 97 N SER A 8 6.194 -12.146 -3.996 1.00 0.00 N ATOM 98 CA SER A 8 5.866 -13.423 -3.386 1.00 0.00 C ATOM 99 C SER A 8 4.425 -13.427 -2.885 1.00 0.00 C ATOM 100 O SER A 8 4.097 -14.118 -1.921 1.00 0.00 O ATOM 101 CB SER A 8 6.831 -13.728 -2.239 1.00 0.00 C ATOM 102 OG SER A 8 8.161 -13.852 -2.713 1.00 0.00 O ATOM 0 H SER A 8 5.747 -11.341 -3.557 1.00 0.00 H new ATOM 0 HA SER A 8 5.967 -14.201 -4.143 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.779 -12.934 -1.495 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.531 -14.651 -1.742 1.00 0.00 H new ATOM 0 HG SER A 8 8.759 -14.045 -1.961 1.00 0.00 H new ATOM 107 N CYS A 9 3.567 -12.659 -3.548 1.00 0.00 N ATOM 108 CA CYS A 9 2.163 -12.587 -3.160 1.00 0.00 C ATOM 109 C CYS A 9 1.255 -12.829 -4.353 1.00 0.00 C ATOM 110 O CYS A 9 1.455 -12.257 -5.425 1.00 0.00 O ATOM 111 CB CYS A 9 1.826 -11.231 -2.535 1.00 0.00 C ATOM 112 SG CYS A 9 1.140 -11.343 -0.848 1.00 0.00 S ATOM 0 H CYS A 9 3.816 -12.081 -4.351 1.00 0.00 H new ATOM 0 HA CYS A 9 1.996 -13.368 -2.418 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.728 -10.620 -2.510 1.00 0.00 H new ATOM 0 HB3 CYS A 9 1.109 -10.716 -3.174 1.00 0.00 H new ATOM 116 N THR A 10 0.263 -13.682 -4.158 1.00 0.00 N ATOM 117 CA THR A 10 -0.690 -14.000 -5.203 1.00 0.00 C ATOM 118 C THR A 10 -2.116 -13.855 -4.683 1.00 0.00 C ATOM 119 O THR A 10 -2.345 -13.906 -3.473 1.00 0.00 O ATOM 120 CB THR A 10 -0.471 -15.432 -5.735 1.00 0.00 C ATOM 121 OG1 THR A 10 -0.378 -16.364 -4.646 1.00 0.00 O ATOM 122 CG2 THR A 10 0.791 -15.503 -6.576 1.00 0.00 C ATOM 0 H THR A 10 0.098 -14.169 -3.277 1.00 0.00 H new ATOM 0 HA THR A 10 -0.535 -13.299 -6.023 1.00 0.00 H new ATOM 0 HB THR A 10 -1.326 -15.695 -6.357 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.241 -17.268 -5.000 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.928 -16.521 -6.942 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.703 -14.822 -7.422 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.650 -15.217 -5.968 1.00 0.00 H new ATOM 130 N GLY A 11 -3.064 -13.673 -5.597 1.00 0.00 N ATOM 131 CA GLY A 11 -4.459 -13.525 -5.213 1.00 0.00 C ATOM 132 C GLY A 11 -4.689 -12.352 -4.279 1.00 0.00 C ATOM 133 O GLY A 11 -5.181 -12.526 -3.165 1.00 0.00 O ATOM 0 H GLY A 11 -2.891 -13.625 -6.601 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.066 -13.395 -6.109 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.797 -14.441 -4.729 1.00 0.00 H new ATOM 137 N VAL A 12 -4.328 -11.161 -4.730 1.00 0.00 N ATOM 138 CA VAL A 12 -4.484 -9.958 -3.922 1.00 0.00 C ATOM 139 C VAL A 12 -5.717 -9.157 -4.340 1.00 0.00 C ATOM 140 O VAL A 12 -6.019 -9.030 -5.530 1.00 0.00 O ATOM 141 CB VAL A 12 -3.231 -9.057 -4.007 1.00 0.00 C ATOM 142 CG1 VAL A 12 -2.040 -9.726 -3.340 1.00 0.00 C ATOM 143 CG2 VAL A 12 -2.904 -8.720 -5.454 1.00 0.00 C ATOM 0 H VAL A 12 -3.924 -11.000 -5.653 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.614 -10.287 -2.891 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.448 -8.129 -3.478 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.169 -9.074 -3.412 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.268 -9.913 -2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.827 -10.672 -3.839 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.019 -8.085 -5.489 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.713 -9.639 -6.008 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.746 -8.194 -5.904 1.00 0.00 H new ATOM 153 N GLU A 13 -6.430 -8.630 -3.352 1.00 0.00 N ATOM 154 CA GLU A 13 -7.632 -7.837 -3.596 1.00 0.00 C ATOM 155 C GLU A 13 -7.646 -6.607 -2.693 1.00 0.00 C ATOM 156 O GLU A 13 -7.016 -6.604 -1.632 1.00 0.00 O ATOM 157 CB GLU A 13 -8.892 -8.677 -3.361 1.00 0.00 C ATOM 158 CG GLU A 13 -8.975 -9.904 -4.253 1.00 0.00 C ATOM 159 CD GLU A 13 -10.281 -10.650 -4.104 1.00 0.00 C ATOM 160 OE1 GLU A 13 -10.427 -11.414 -3.127 1.00 0.00 O ATOM 161 OE2 GLU A 13 -11.164 -10.489 -4.973 1.00 0.00 O ATOM 0 H GLU A 13 -6.195 -8.738 -2.365 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.622 -7.512 -4.636 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.920 -8.993 -2.318 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.771 -8.055 -3.529 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.852 -9.601 -5.293 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.149 -10.575 -4.017 1.00 0.00 H new ATOM 166 N LEU A 14 -8.360 -5.566 -3.114 1.00 0.00 N ATOM 167 CA LEU A 14 -8.439 -4.328 -2.347 1.00 0.00 C ATOM 168 C LEU A 14 -9.885 -3.901 -2.112 1.00 0.00 C ATOM 169 O LEU A 14 -10.654 -3.720 -3.056 1.00 0.00 O ATOM 170 CB LEU A 14 -7.680 -3.216 -3.078 1.00 0.00 C ATOM 171 CG LEU A 14 -7.766 -1.820 -2.453 1.00 0.00 C ATOM 172 CD1 LEU A 14 -7.379 -1.847 -0.984 1.00 0.00 C ATOM 173 CD2 LEU A 14 -6.871 -0.869 -3.206 1.00 0.00 C ATOM 0 H LEU A 14 -8.893 -5.556 -3.984 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.983 -4.508 -1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.630 -3.500 -3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.055 -3.158 -4.100 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.799 -1.479 -2.521 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.450 -0.841 -0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.053 -2.511 -0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.356 -2.209 -0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.935 0.123 -2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.841 -1.223 -3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.189 -0.818 -4.247 1.00 0.00 H new ATOM 184 N TYR A 15 -10.241 -3.732 -0.844 1.00 0.00 N ATOM 185 CA TYR A 15 -11.585 -3.310 -0.471 1.00 0.00 C ATOM 186 C TYR A 15 -11.532 -2.054 0.396 1.00 0.00 C ATOM 187 O TYR A 15 -11.257 -2.129 1.596 1.00 0.00 O ATOM 188 CB TYR A 15 -12.316 -4.425 0.284 1.00 0.00 C ATOM 189 CG TYR A 15 -12.593 -5.660 -0.543 1.00 0.00 C ATOM 190 CD1 TYR A 15 -13.730 -5.747 -1.335 1.00 0.00 C ATOM 191 CD2 TYR A 15 -11.725 -6.745 -0.519 1.00 0.00 C ATOM 192 CE1 TYR A 15 -13.994 -6.876 -2.083 1.00 0.00 C ATOM 193 CE2 TYR A 15 -11.985 -7.880 -1.262 1.00 0.00 C ATOM 194 CZ TYR A 15 -13.120 -7.939 -2.041 1.00 0.00 C ATOM 195 OH TYR A 15 -13.387 -9.073 -2.776 1.00 0.00 O ATOM 0 H TYR A 15 -9.614 -3.882 -0.054 1.00 0.00 H new ATOM 0 HA TYR A 15 -12.132 -3.088 -1.388 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.722 -4.710 1.152 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -13.262 -4.034 0.659 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -14.420 -4.917 -1.366 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -10.834 -6.700 0.090 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -14.881 -6.926 -2.698 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -11.303 -8.716 -1.233 1.00 0.00 H new ATOM 0 HH TYR A 15 -12.672 -9.729 -2.637 1.00 0.00 H new ATOM 204 N GLY A 16 -11.764 -0.901 -0.215 1.00 0.00 N ATOM 205 CA GLY A 16 -11.756 0.355 0.519 1.00 0.00 C ATOM 206 C GLY A 16 -10.357 0.831 0.869 1.00 0.00 C ATOM 207 O GLY A 16 -9.928 1.896 0.434 1.00 0.00 O ATOM 0 H GLY A 16 -11.959 -0.810 -1.212 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.255 1.120 -0.076 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.333 0.237 1.436 1.00 0.00 H new ATOM 211 N TYR A 17 -9.653 0.051 1.678 1.00 0.00 N ATOM 212 CA TYR A 17 -8.297 0.395 2.087 1.00 0.00 C ATOM 213 C TYR A 17 -7.571 -0.798 2.707 1.00 0.00 C ATOM 214 O TYR A 17 -6.606 -0.626 3.457 1.00 0.00 O ATOM 215 CB TYR A 17 -8.294 1.594 3.053 1.00 0.00 C ATOM 216 CG TYR A 17 -9.434 1.615 4.058 1.00 0.00 C ATOM 217 CD1 TYR A 17 -9.421 0.803 5.185 1.00 0.00 C ATOM 218 CD2 TYR A 17 -10.523 2.459 3.872 1.00 0.00 C ATOM 219 CE1 TYR A 17 -10.462 0.832 6.098 1.00 0.00 C ATOM 220 CE2 TYR A 17 -11.564 2.494 4.779 1.00 0.00 C ATOM 221 CZ TYR A 17 -11.530 1.680 5.888 1.00 0.00 C ATOM 222 OH TYR A 17 -12.568 1.718 6.792 1.00 0.00 O ATOM 0 H TYR A 17 -9.999 -0.827 2.065 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.754 0.680 1.186 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.350 1.599 3.598 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -8.329 2.513 2.467 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.586 0.139 5.352 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.556 3.099 3.003 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -10.438 0.194 6.969 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -12.401 3.157 4.619 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.237 2.369 6.494 1.00 0.00 H new ATOM 231 N ILE A 18 -8.031 -2.006 2.395 1.00 0.00 N ATOM 232 CA ILE A 18 -7.403 -3.215 2.911 1.00 0.00 C ATOM 233 C ILE A 18 -6.939 -4.111 1.763 1.00 0.00 C ATOM 234 O ILE A 18 -7.711 -4.429 0.857 1.00 0.00 O ATOM 235 CB ILE A 18 -8.338 -4.014 3.849 1.00 0.00 C ATOM 236 CG1 ILE A 18 -9.657 -4.358 3.147 1.00 0.00 C ATOM 237 CG2 ILE A 18 -8.597 -3.232 5.131 1.00 0.00 C ATOM 238 CD1 ILE A 18 -10.592 -5.214 3.977 1.00 0.00 C ATOM 0 H ILE A 18 -8.834 -2.172 1.789 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.542 -2.894 3.498 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.843 -4.950 4.108 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.168 -3.432 2.882 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.436 -4.878 2.215 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.257 -3.807 5.781 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.652 -3.049 5.643 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -9.068 -2.280 4.887 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.502 -5.413 3.411 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.102 -6.157 4.221 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.846 -4.688 4.898 1.00 0.00 H new ATOM 249 N LEU A 19 -5.670 -4.489 1.800 1.00 0.00 N ATOM 250 CA LEU A 19 -5.086 -5.342 0.773 1.00 0.00 C ATOM 251 C LEU A 19 -4.847 -6.725 1.336 1.00 0.00 C ATOM 252 O LEU A 19 -4.030 -6.895 2.234 1.00 0.00 O ATOM 253 CB LEU A 19 -3.747 -4.768 0.295 1.00 0.00 C ATOM 254 CG LEU A 19 -3.548 -4.727 -1.219 1.00 0.00 C ATOM 255 CD1 LEU A 19 -3.659 -6.118 -1.828 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.552 -3.781 -1.841 1.00 0.00 C ATOM 0 H LEU A 19 -5.019 -4.216 2.537 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.778 -5.392 -0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.647 -3.755 0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.942 -5.358 0.733 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.543 -4.361 -1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.513 -6.056 -2.906 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.897 -6.766 -1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.647 -6.529 -1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.407 -3.755 -2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.562 -4.125 -1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.411 -2.781 -1.432 1.00 0.00 H new ATOM 267 N ARG A 20 -5.543 -7.710 0.823 1.00 0.00 N ATOM 268 CA ARG A 20 -5.359 -9.062 1.300 1.00 0.00 C ATOM 269 C ARG A 20 -4.864 -9.936 0.171 1.00 0.00 C ATOM 270 O ARG A 20 -5.291 -9.782 -0.974 1.00 0.00 O ATOM 271 CB ARG A 20 -6.658 -9.633 1.857 1.00 0.00 C ATOM 272 CG ARG A 20 -6.456 -10.907 2.657 1.00 0.00 C ATOM 273 CD ARG A 20 -7.485 -11.961 2.293 1.00 0.00 C ATOM 274 NE ARG A 20 -7.563 -13.023 3.293 1.00 0.00 N ATOM 275 CZ ARG A 20 -8.111 -14.220 3.070 1.00 0.00 C ATOM 276 NH1 ARG A 20 -8.590 -14.529 1.871 1.00 0.00 N ATOM 277 NH2 ARG A 20 -8.191 -15.113 4.051 1.00 0.00 N ATOM 0 H ARG A 20 -6.236 -7.605 0.082 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.623 -9.042 2.104 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.134 -8.885 2.491 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.342 -9.834 1.033 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.454 -11.297 2.476 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.523 -10.684 3.722 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.463 -11.491 2.187 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.233 -12.394 1.325 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.175 -12.839 4.218 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.541 -13.850 1.112 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.007 -15.446 1.709 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.833 -14.885 4.979 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.610 -16.026 3.876 1.00 0.00 H new ATOM 288 N GLY A 21 -3.960 -10.834 0.492 1.00 0.00 N ATOM 289 CA GLY A 21 -3.429 -11.728 -0.504 1.00 0.00 C ATOM 290 C GLY A 21 -2.639 -12.850 0.116 1.00 0.00 C ATOM 291 O GLY A 21 -2.474 -12.898 1.335 1.00 0.00 O ATOM 0 H GLY A 21 -3.581 -10.962 1.430 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.247 -12.142 -1.094 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.791 -11.170 -1.190 1.00 0.00 H new ATOM 295 N ASP A 22 -2.152 -13.751 -0.715 1.00 0.00 N ATOM 296 CA ASP A 22 -1.380 -14.884 -0.240 1.00 0.00 C ATOM 297 C ASP A 22 0.098 -14.637 -0.462 1.00 0.00 C ATOM 298 O ASP A 22 0.579 -14.682 -1.594 1.00 0.00 O ATOM 299 CB ASP A 22 -1.791 -16.168 -0.963 1.00 0.00 C ATOM 300 CG ASP A 22 -3.226 -16.573 -0.709 1.00 0.00 C ATOM 301 OD1 ASP A 22 -3.493 -17.231 0.320 1.00 0.00 O ATOM 302 OD2 ASP A 22 -4.091 -16.262 -1.559 1.00 0.00 O ATOM 0 H ASP A 22 -2.278 -13.720 -1.727 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.577 -15.002 0.826 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.644 -16.034 -2.035 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.133 -16.978 -0.650 1.00 0.00 H new ATOM 306 N CYS A 23 0.820 -14.391 0.613 1.00 0.00 N ATOM 307 CA CYS A 23 2.247 -14.150 0.520 1.00 0.00 C ATOM 308 C CYS A 23 3.003 -15.368 1.031 1.00 0.00 C ATOM 309 O CYS A 23 2.693 -15.902 2.093 1.00 0.00 O ATOM 310 CB CYS A 23 2.639 -12.906 1.323 1.00 0.00 C ATOM 311 SG CYS A 23 2.779 -11.365 0.347 1.00 0.00 S ATOM 0 H CYS A 23 0.443 -14.353 1.560 1.00 0.00 H new ATOM 0 HA CYS A 23 2.508 -13.976 -0.524 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.901 -12.753 2.110 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.594 -13.095 1.814 1.00 0.00 H new ATOM 315 N ILE A 24 3.996 -15.797 0.273 1.00 0.00 N ATOM 316 CA ILE A 24 4.787 -16.967 0.630 1.00 0.00 C ATOM 317 C ILE A 24 5.658 -16.700 1.853 1.00 0.00 C ATOM 318 O ILE A 24 6.221 -15.611 2.006 1.00 0.00 O ATOM 319 CB ILE A 24 5.679 -17.417 -0.549 1.00 0.00 C ATOM 320 CG1 ILE A 24 4.828 -17.634 -1.805 1.00 0.00 C ATOM 321 CG2 ILE A 24 6.440 -18.687 -0.199 1.00 0.00 C ATOM 322 CD1 ILE A 24 5.618 -18.110 -3.006 1.00 0.00 C ATOM 0 H ILE A 24 4.277 -15.351 -0.600 1.00 0.00 H new ATOM 0 HA ILE A 24 4.084 -17.765 0.869 1.00 0.00 H new ATOM 0 HB ILE A 24 6.406 -16.629 -0.748 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.049 -18.363 -1.583 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.327 -16.700 -2.059 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.061 -18.984 -1.044 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.073 -18.504 0.669 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.732 -19.484 0.029 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.947 -18.241 -3.855 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.380 -17.372 -3.256 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.097 -19.061 -2.773 1.00 0.00 H new ATOM 333 N ASN A 25 5.749 -17.692 2.727 1.00 0.00 N ATOM 334 CA ASN A 25 6.553 -17.579 3.933 1.00 0.00 C ATOM 335 C ASN A 25 7.775 -18.488 3.822 1.00 0.00 C ATOM 336 O ASN A 25 7.996 -19.084 2.771 1.00 0.00 O ATOM 337 CB ASN A 25 5.719 -17.923 5.177 1.00 0.00 C ATOM 338 CG ASN A 25 5.496 -19.410 5.362 1.00 0.00 C ATOM 339 OD1 ASN A 25 6.239 -20.072 6.082 1.00 0.00 O ATOM 340 ND2 ASN A 25 4.482 -19.944 4.704 1.00 0.00 N ATOM 0 H ASN A 25 5.273 -18.588 2.622 1.00 0.00 H new ATOM 0 HA ASN A 25 6.892 -16.549 4.039 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.218 -17.526 6.061 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.752 -17.425 5.106 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.292 -20.943 4.784 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.890 -19.357 4.117 1.00 0.00 H new ATOM 346 N GLU A 26 8.547 -18.615 4.897 1.00 0.00 N ATOM 347 CA GLU A 26 9.753 -19.453 4.892 1.00 0.00 C ATOM 348 C GLU A 26 9.457 -20.899 4.480 1.00 0.00 C ATOM 349 O GLU A 26 10.314 -21.583 3.921 1.00 0.00 O ATOM 350 CB GLU A 26 10.422 -19.433 6.269 1.00 0.00 C ATOM 351 CG GLU A 26 9.468 -19.720 7.416 1.00 0.00 C ATOM 352 CD GLU A 26 10.187 -19.909 8.733 1.00 0.00 C ATOM 353 OE1 GLU A 26 10.662 -18.908 9.313 1.00 0.00 O ATOM 354 OE2 GLU A 26 10.280 -21.063 9.198 1.00 0.00 O ATOM 0 H GLU A 26 8.363 -18.150 5.786 1.00 0.00 H new ATOM 0 HA GLU A 26 10.430 -19.031 4.149 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.225 -20.169 6.283 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.881 -18.457 6.426 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.758 -18.898 7.508 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.891 -20.616 7.189 1.00 0.00 H new ATOM 359 N ASP A 27 8.238 -21.345 4.744 1.00 0.00 N ATOM 360 CA ASP A 27 7.815 -22.705 4.416 1.00 0.00 C ATOM 361 C ASP A 27 7.754 -22.923 2.907 1.00 0.00 C ATOM 362 O ASP A 27 7.788 -24.056 2.428 1.00 0.00 O ATOM 363 CB ASP A 27 6.448 -22.983 5.038 1.00 0.00 C ATOM 364 CG ASP A 27 6.027 -24.435 4.938 1.00 0.00 C ATOM 365 OD1 ASP A 27 6.791 -25.312 5.391 1.00 0.00 O ATOM 366 OD2 ASP A 27 4.911 -24.702 4.447 1.00 0.00 O ATOM 0 H ASP A 27 7.515 -20.780 5.189 1.00 0.00 H new ATOM 0 HA ASP A 27 8.552 -23.397 4.824 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.468 -22.689 6.088 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.700 -22.361 4.547 1.00 0.00 H new ATOM 370 N GLY A 28 7.665 -21.829 2.161 1.00 0.00 N ATOM 371 CA GLY A 28 7.596 -21.920 0.716 1.00 0.00 C ATOM 372 C GLY A 28 6.171 -22.002 0.224 1.00 0.00 C ATOM 373 O GLY A 28 5.920 -22.167 -0.970 1.00 0.00 O ATOM 0 H GLY A 28 7.639 -20.879 2.532 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.083 -21.051 0.274 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.147 -22.799 0.381 1.00 0.00 H new ATOM 377 N HIS A 29 5.234 -21.886 1.149 1.00 0.00 N ATOM 378 CA HIS A 29 3.822 -21.938 0.815 1.00 0.00 C ATOM 379 C HIS A 29 3.175 -20.580 1.055 1.00 0.00 C ATOM 380 O HIS A 29 3.562 -19.848 1.973 1.00 0.00 O ATOM 381 CB HIS A 29 3.110 -23.024 1.629 1.00 0.00 C ATOM 382 CG HIS A 29 3.447 -24.422 1.200 1.00 0.00 C ATOM 383 ND1 HIS A 29 2.601 -25.202 0.445 1.00 0.00 N ATOM 384 CD2 HIS A 29 4.546 -25.180 1.427 1.00 0.00 C ATOM 385 CE1 HIS A 29 3.160 -26.376 0.227 1.00 0.00 C ATOM 386 NE2 HIS A 29 4.343 -26.390 0.811 1.00 0.00 N ATOM 0 H HIS A 29 5.427 -21.755 2.142 1.00 0.00 H new ATOM 0 HA HIS A 29 3.726 -22.189 -0.241 1.00 0.00 H new ATOM 0 HB2 HIS A 29 3.369 -22.905 2.681 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.033 -22.879 1.547 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.421 -24.887 1.989 1.00 0.00 H new ATOM 0 HE1 HIS A 29 2.723 -27.189 -0.335 1.00 0.00 H new ATOM 0 HE2 HIS A 29 4.999 -27.171 0.806 1.00 0.00 H new ATOM 394 N PRO A 30 2.210 -20.213 0.207 1.00 0.00 N ATOM 395 CA PRO A 30 1.498 -18.938 0.312 1.00 0.00 C ATOM 396 C PRO A 30 0.600 -18.855 1.547 1.00 0.00 C ATOM 397 O PRO A 30 -0.272 -19.699 1.758 1.00 0.00 O ATOM 398 CB PRO A 30 0.658 -18.890 -0.966 1.00 0.00 C ATOM 399 CG PRO A 30 0.499 -20.310 -1.380 1.00 0.00 C ATOM 400 CD PRO A 30 1.749 -21.012 -0.943 1.00 0.00 C ATOM 0 HA PRO A 30 2.190 -18.102 0.418 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.309 -18.422 -0.784 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.154 -18.307 -1.742 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.381 -20.755 -0.916 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.364 -20.389 -2.459 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.550 -22.046 -0.659 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.494 -21.037 -1.738 1.00 0.00 H new ATOM 405 N HIS A 31 0.829 -17.837 2.361 1.00 0.00 N ATOM 406 CA HIS A 31 0.047 -17.613 3.567 1.00 0.00 C ATOM 407 C HIS A 31 -0.724 -16.305 3.428 1.00 0.00 C ATOM 408 O HIS A 31 -0.156 -15.284 3.037 1.00 0.00 O ATOM 409 CB HIS A 31 0.959 -17.573 4.800 1.00 0.00 C ATOM 410 CG HIS A 31 0.222 -17.510 6.109 1.00 0.00 C ATOM 411 ND1 HIS A 31 -0.225 -18.629 6.775 1.00 0.00 N ATOM 412 CD2 HIS A 31 -0.132 -16.453 6.880 1.00 0.00 C ATOM 413 CE1 HIS A 31 -0.823 -18.267 7.891 1.00 0.00 C ATOM 414 NE2 HIS A 31 -0.782 -16.954 7.983 1.00 0.00 N ATOM 0 H HIS A 31 1.561 -17.144 2.205 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.658 -18.434 3.698 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.595 -18.458 4.796 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.617 -16.707 4.724 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.061 -15.412 6.668 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -1.272 -18.935 8.611 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -1.169 -16.400 8.747 1.00 0.00 H new ATOM 422 N ALA A 32 -2.010 -16.341 3.741 1.00 0.00 N ATOM 423 CA ALA A 32 -2.862 -15.166 3.626 1.00 0.00 C ATOM 424 C ALA A 32 -2.475 -14.077 4.618 1.00 0.00 C ATOM 425 O ALA A 32 -2.365 -14.315 5.821 1.00 0.00 O ATOM 426 CB ALA A 32 -4.321 -15.549 3.809 1.00 0.00 C ATOM 0 H ALA A 32 -2.489 -17.176 4.079 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.720 -14.761 2.624 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.945 -14.659 3.720 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.607 -16.270 3.043 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.460 -15.992 4.795 1.00 0.00 H new ATOM 432 N THR A 33 -2.266 -12.887 4.088 1.00 0.00 N ATOM 433 CA THR A 33 -1.910 -11.723 4.878 1.00 0.00 C ATOM 434 C THR A 33 -2.731 -10.535 4.391 1.00 0.00 C ATOM 435 O THR A 33 -3.184 -10.515 3.244 1.00 0.00 O ATOM 436 CB THR A 33 -0.401 -11.410 4.775 1.00 0.00 C ATOM 437 OG1 THR A 33 -0.068 -10.273 5.584 1.00 0.00 O ATOM 438 CG2 THR A 33 -0.003 -11.143 3.333 1.00 0.00 C ATOM 0 H THR A 33 -2.339 -12.699 3.088 1.00 0.00 H new ATOM 0 HA THR A 33 -2.127 -11.926 5.927 1.00 0.00 H new ATOM 0 HB THR A 33 0.148 -12.280 5.137 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.591 -10.535 6.260 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.064 -10.925 3.284 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.222 -12.022 2.727 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.565 -10.290 2.952 1.00 0.00 H new ATOM 446 N SER A 34 -2.937 -9.559 5.251 1.00 0.00 N ATOM 447 CA SER A 34 -3.715 -8.395 4.885 1.00 0.00 C ATOM 448 C SER A 34 -3.072 -7.140 5.419 1.00 0.00 C ATOM 449 O SER A 34 -2.708 -7.079 6.591 1.00 0.00 O ATOM 450 CB SER A 34 -5.129 -8.520 5.424 1.00 0.00 C ATOM 451 OG SER A 34 -5.134 -8.653 6.837 1.00 0.00 O ATOM 0 H SER A 34 -2.577 -9.549 6.205 1.00 0.00 H new ATOM 0 HA SER A 34 -3.752 -8.334 3.797 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.708 -7.642 5.137 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.617 -9.385 4.974 1.00 0.00 H new ATOM 0 HG SER A 34 -4.347 -8.205 7.211 1.00 0.00 H new ATOM 456 N ILE A 35 -2.942 -6.147 4.565 1.00 0.00 N ATOM 457 CA ILE A 35 -2.337 -4.901 4.956 1.00 0.00 C ATOM 458 C ILE A 35 -3.352 -3.772 4.873 1.00 0.00 C ATOM 459 O ILE A 35 -4.202 -3.750 3.982 1.00 0.00 O ATOM 460 CB ILE A 35 -1.117 -4.539 4.073 1.00 0.00 C ATOM 461 CG1 ILE A 35 -0.243 -5.767 3.802 1.00 0.00 C ATOM 462 CG2 ILE A 35 -0.285 -3.450 4.730 1.00 0.00 C ATOM 463 CD1 ILE A 35 -0.598 -6.501 2.522 1.00 0.00 C ATOM 0 H ILE A 35 -3.250 -6.183 3.593 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.993 -5.028 5.983 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.498 -4.171 3.121 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.800 -5.455 3.754 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.331 -6.457 4.642 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.567 -3.210 4.094 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.897 -2.559 4.869 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.072 -3.799 5.699 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.064 -7.358 2.399 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.631 -6.845 2.574 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.482 -5.828 1.672 1.00 0.00 H new ATOM 474 N ASN A 36 -3.264 -2.835 5.796 1.00 0.00 N ATOM 475 CA ASN A 36 -4.179 -1.705 5.818 1.00 0.00 C ATOM 476 C ASN A 36 -3.500 -0.494 5.185 1.00 0.00 C ATOM 477 O ASN A 36 -2.824 0.274 5.868 1.00 0.00 O ATOM 478 CB ASN A 36 -4.603 -1.391 7.256 1.00 0.00 C ATOM 479 CG ASN A 36 -6.011 -0.822 7.355 1.00 0.00 C ATOM 480 OD1 ASN A 36 -6.673 -0.957 8.383 1.00 0.00 O ATOM 481 ND2 ASN A 36 -6.497 -0.210 6.286 1.00 0.00 N ATOM 0 H ASN A 36 -2.569 -2.831 6.542 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.074 -1.954 5.247 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.543 -2.301 7.853 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.899 -0.680 7.688 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.445 0.165 6.300 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.923 -0.114 5.448 1.00 0.00 H new ATOM 487 N LEU A 37 -3.699 -0.324 3.878 1.00 0.00 N ATOM 488 CA LEU A 37 -3.082 0.776 3.124 1.00 0.00 C ATOM 489 C LEU A 37 -3.435 2.131 3.719 1.00 0.00 C ATOM 490 O LEU A 37 -2.684 3.092 3.580 1.00 0.00 O ATOM 491 CB LEU A 37 -3.516 0.776 1.649 1.00 0.00 C ATOM 492 CG LEU A 37 -3.271 -0.506 0.847 1.00 0.00 C ATOM 493 CD1 LEU A 37 -1.935 -1.141 1.201 1.00 0.00 C ATOM 494 CD2 LEU A 37 -4.411 -1.485 1.050 1.00 0.00 C ATOM 0 H LEU A 37 -4.286 -0.937 3.313 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.006 0.612 3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.582 1.000 1.611 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.000 1.593 1.145 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.231 -0.238 -0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.796 -2.048 0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.130 -0.440 0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.921 -1.391 2.262 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.221 -2.390 0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.489 -1.738 2.107 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.344 -1.031 0.716 1.00 0.00 H new ATOM 505 N ASN A 38 -4.585 2.198 4.378 1.00 0.00 N ATOM 506 CA ASN A 38 -5.062 3.437 4.985 1.00 0.00 C ATOM 507 C ASN A 38 -4.025 4.049 5.925 1.00 0.00 C ATOM 508 O ASN A 38 -3.953 5.265 6.060 1.00 0.00 O ATOM 509 CB ASN A 38 -6.368 3.187 5.752 1.00 0.00 C ATOM 510 CG ASN A 38 -6.917 4.441 6.418 1.00 0.00 C ATOM 511 OD1 ASN A 38 -6.560 4.764 7.548 1.00 0.00 O ATOM 512 ND2 ASN A 38 -7.806 5.142 5.729 1.00 0.00 N ATOM 0 H ASN A 38 -5.210 1.402 4.507 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.241 4.144 4.175 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.116 2.790 5.065 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.196 2.424 6.512 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.219 5.982 6.135 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.077 4.842 4.793 1.00 0.00 H new ATOM 518 N TYR A 39 -3.213 3.213 6.550 1.00 0.00 N ATOM 519 CA TYR A 39 -2.205 3.701 7.485 1.00 0.00 C ATOM 520 C TYR A 39 -0.813 3.694 6.864 1.00 0.00 C ATOM 521 O TYR A 39 0.176 3.887 7.566 1.00 0.00 O ATOM 522 CB TYR A 39 -2.195 2.845 8.756 1.00 0.00 C ATOM 523 CG TYR A 39 -3.532 2.765 9.461 1.00 0.00 C ATOM 524 CD1 TYR A 39 -4.450 1.781 9.126 1.00 0.00 C ATOM 525 CD2 TYR A 39 -3.870 3.664 10.467 1.00 0.00 C ATOM 526 CE1 TYR A 39 -5.668 1.693 9.766 1.00 0.00 C ATOM 527 CE2 TYR A 39 -5.090 3.581 11.113 1.00 0.00 C ATOM 528 CZ TYR A 39 -5.984 2.594 10.759 1.00 0.00 C ATOM 529 OH TYR A 39 -7.198 2.497 11.401 1.00 0.00 O ATOM 0 H TYR A 39 -3.229 2.200 6.431 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.467 4.729 7.736 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.872 1.836 8.499 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.456 3.250 9.447 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.206 1.071 8.350 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.170 4.437 10.747 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -6.371 0.921 9.490 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.341 4.286 11.891 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.269 3.204 12.076 1.00 0.00 H new ATOM 538 N TYR A 40 -0.725 3.470 5.556 1.00 0.00 N ATOM 539 CA TYR A 40 0.579 3.427 4.900 1.00 0.00 C ATOM 540 C TYR A 40 0.655 4.318 3.666 1.00 0.00 C ATOM 541 O TYR A 40 1.743 4.701 3.253 1.00 0.00 O ATOM 542 CB TYR A 40 0.956 1.986 4.543 1.00 0.00 C ATOM 543 CG TYR A 40 1.034 1.078 5.752 1.00 0.00 C ATOM 544 CD1 TYR A 40 1.899 1.361 6.801 1.00 0.00 C ATOM 545 CD2 TYR A 40 0.232 -0.050 5.851 1.00 0.00 C ATOM 546 CE1 TYR A 40 1.964 0.545 7.914 1.00 0.00 C ATOM 547 CE2 TYR A 40 0.288 -0.870 6.962 1.00 0.00 C ATOM 548 CZ TYR A 40 1.155 -0.569 7.991 1.00 0.00 C ATOM 549 OH TYR A 40 1.211 -1.381 9.102 1.00 0.00 O ATOM 0 H TYR A 40 -1.523 3.318 4.939 1.00 0.00 H new ATOM 0 HA TYR A 40 1.300 3.821 5.617 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.222 1.587 3.843 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.918 1.984 4.031 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.532 2.234 6.746 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.447 -0.291 5.047 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.645 0.778 8.719 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.345 -1.743 7.024 1.00 0.00 H new ATOM 0 HH TYR A 40 0.577 -2.121 8.998 1.00 0.00 H new ATOM 558 N ILE A 41 -0.485 4.660 3.090 1.00 0.00 N ATOM 559 CA ILE A 41 -0.515 5.509 1.906 1.00 0.00 C ATOM 560 C ILE A 41 -1.169 6.841 2.237 1.00 0.00 C ATOM 561 O ILE A 41 -2.133 6.892 3.006 1.00 0.00 O ATOM 562 CB ILE A 41 -1.272 4.844 0.733 1.00 0.00 C ATOM 563 CG1 ILE A 41 -0.408 3.792 0.035 1.00 0.00 C ATOM 564 CG2 ILE A 41 -1.741 5.881 -0.274 1.00 0.00 C ATOM 565 CD1 ILE A 41 -0.294 2.497 0.794 1.00 0.00 C ATOM 0 H ILE A 41 -1.403 4.364 3.421 1.00 0.00 H new ATOM 0 HA ILE A 41 0.518 5.666 1.594 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.145 4.347 1.155 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.826 3.589 -0.951 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.591 4.200 -0.120 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.270 5.385 -1.088 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.410 6.588 0.216 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.879 6.415 -0.674 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.334 1.802 0.236 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.153 2.686 1.770 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.286 2.064 0.926 1.00 0.00 H new ATOM 576 N GLY A 42 -0.636 7.917 1.674 1.00 0.00 N ATOM 577 CA GLY A 42 -1.187 9.228 1.941 1.00 0.00 C ATOM 578 C GLY A 42 -1.822 9.876 0.732 1.00 0.00 C ATOM 579 O GLY A 42 -1.687 9.391 -0.394 1.00 0.00 O ATOM 0 H GLY A 42 0.164 7.905 1.041 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.933 9.145 2.732 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.395 9.876 2.316 1.00 0.00 H new ATOM 583 N ASN A 43 -2.498 10.986 0.982 1.00 0.00 N ATOM 584 CA ASN A 43 -3.178 11.748 -0.056 1.00 0.00 C ATOM 585 C ASN A 43 -2.523 13.114 -0.204 1.00 0.00 C ATOM 586 O ASN A 43 -2.703 14.000 0.636 1.00 0.00 O ATOM 587 CB ASN A 43 -4.665 11.901 0.292 1.00 0.00 C ATOM 588 CG ASN A 43 -5.391 12.894 -0.599 1.00 0.00 C ATOM 589 OD1 ASN A 43 -5.041 13.091 -1.763 1.00 0.00 O ATOM 590 ND2 ASN A 43 -6.409 13.536 -0.046 1.00 0.00 N ATOM 0 H ASN A 43 -2.592 11.387 1.915 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.098 11.215 -1.003 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.152 10.929 0.213 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.757 12.220 1.330 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.934 14.222 -0.588 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.668 13.344 0.922 1.00 0.00 H new ATOM 596 N ASP A 44 -1.746 13.278 -1.259 1.00 0.00 N ATOM 597 CA ASP A 44 -1.060 14.535 -1.500 1.00 0.00 C ATOM 598 C ASP A 44 -1.639 15.242 -2.720 1.00 0.00 C ATOM 599 O ASP A 44 -1.418 14.816 -3.855 1.00 0.00 O ATOM 600 CB ASP A 44 0.439 14.293 -1.681 1.00 0.00 C ATOM 601 CG ASP A 44 1.211 15.576 -1.893 1.00 0.00 C ATOM 602 OD1 ASP A 44 1.129 16.474 -1.029 1.00 0.00 O ATOM 603 OD2 ASP A 44 1.913 15.686 -2.917 1.00 0.00 O ATOM 0 H ASP A 44 -1.574 12.559 -1.961 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.207 15.180 -0.634 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.829 13.779 -0.803 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.597 13.633 -2.534 1.00 0.00 H new ATOM 607 N ASN A 45 -2.403 16.307 -2.469 1.00 0.00 N ATOM 608 CA ASN A 45 -3.026 17.108 -3.523 1.00 0.00 C ATOM 609 C ASN A 45 -3.951 16.258 -4.384 1.00 0.00 C ATOM 610 O ASN A 45 -3.989 16.399 -5.608 1.00 0.00 O ATOM 611 CB ASN A 45 -1.952 17.770 -4.390 1.00 0.00 C ATOM 612 CG ASN A 45 -2.383 19.106 -4.958 1.00 0.00 C ATOM 613 OD1 ASN A 45 -3.110 19.862 -4.314 1.00 0.00 O ATOM 614 ND2 ASN A 45 -1.934 19.410 -6.166 1.00 0.00 N ATOM 0 H ASN A 45 -2.607 16.639 -1.526 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.626 17.885 -3.048 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.049 17.910 -3.795 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.693 17.100 -5.210 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.189 20.299 -6.596 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.333 18.755 -6.667 1.00 0.00 H new ATOM 620 N GLY A 46 -4.686 15.364 -3.737 1.00 0.00 N ATOM 621 CA GLY A 46 -5.613 14.508 -4.452 1.00 0.00 C ATOM 622 C GLY A 46 -4.914 13.389 -5.198 1.00 0.00 C ATOM 623 O GLY A 46 -5.489 12.777 -6.096 1.00 0.00 O ATOM 0 H GLY A 46 -4.657 15.216 -2.728 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.325 14.080 -3.746 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.186 15.109 -5.158 1.00 0.00 H new ATOM 627 N ARG A 47 -3.670 13.130 -4.831 1.00 0.00 N ATOM 628 CA ARG A 47 -2.880 12.091 -5.469 1.00 0.00 C ATOM 629 C ARG A 47 -2.359 11.103 -4.445 1.00 0.00 C ATOM 630 O ARG A 47 -2.114 11.458 -3.292 1.00 0.00 O ATOM 631 CB ARG A 47 -1.709 12.715 -6.217 1.00 0.00 C ATOM 632 CG ARG A 47 -1.808 12.585 -7.726 1.00 0.00 C ATOM 633 CD ARG A 47 -3.131 13.117 -8.260 1.00 0.00 C ATOM 634 NE ARG A 47 -3.349 14.522 -7.912 1.00 0.00 N ATOM 635 CZ ARG A 47 -3.509 15.497 -8.807 1.00 0.00 C ATOM 636 NH1 ARG A 47 -3.384 15.246 -10.106 1.00 0.00 N ATOM 637 NH2 ARG A 47 -3.767 16.729 -8.391 1.00 0.00 N ATOM 0 H ARG A 47 -3.182 13.630 -4.088 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.521 11.558 -6.172 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.644 13.771 -5.956 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.784 12.246 -5.881 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.985 13.128 -8.191 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.699 11.538 -8.007 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.153 13.007 -9.344 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.948 12.516 -7.862 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.380 14.771 -6.923 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.164 14.302 -10.424 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.508 15.997 -10.785 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.842 16.925 -7.393 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.891 17.481 -9.069 1.00 0.00 H new ATOM 648 N LEU A 48 -2.192 9.868 -4.878 1.00 0.00 N ATOM 649 CA LEU A 48 -1.691 8.815 -4.016 1.00 0.00 C ATOM 650 C LEU A 48 -0.196 8.977 -3.798 1.00 0.00 C ATOM 651 O LEU A 48 0.574 9.057 -4.756 1.00 0.00 O ATOM 652 CB LEU A 48 -1.986 7.445 -4.636 1.00 0.00 C ATOM 653 CG LEU A 48 -3.442 7.217 -5.032 1.00 0.00 C ATOM 654 CD1 LEU A 48 -3.666 5.778 -5.458 1.00 0.00 C ATOM 655 CD2 LEU A 48 -4.362 7.586 -3.887 1.00 0.00 C ATOM 0 H LEU A 48 -2.398 9.568 -5.831 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.194 8.884 -3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.361 7.321 -5.520 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.692 6.671 -3.927 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.672 7.859 -5.882 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.711 5.639 -5.736 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.030 5.548 -6.313 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.419 5.111 -4.632 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.397 7.418 -4.184 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.129 6.969 -3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.223 8.637 -3.633 1.00 0.00 H new ATOM 666 N GLU A 49 0.197 9.055 -2.541 1.00 0.00 N ATOM 667 CA GLU A 49 1.596 9.191 -2.173 1.00 0.00 C ATOM 668 C GLU A 49 2.049 7.914 -1.481 1.00 0.00 C ATOM 669 O GLU A 49 1.277 7.344 -0.707 1.00 0.00 O ATOM 670 CB GLU A 49 1.783 10.390 -1.235 1.00 0.00 C ATOM 671 CG GLU A 49 3.209 10.578 -0.740 1.00 0.00 C ATOM 672 CD GLU A 49 4.149 11.079 -1.817 1.00 0.00 C ATOM 673 OE1 GLU A 49 4.456 10.316 -2.753 1.00 0.00 O ATOM 674 OE2 GLU A 49 4.593 12.245 -1.723 1.00 0.00 O ATOM 0 H GLU A 49 -0.442 9.026 -1.747 1.00 0.00 H new ATOM 0 HA GLU A 49 2.194 9.358 -3.069 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.468 11.295 -1.754 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.125 10.270 -0.375 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.209 11.283 0.091 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.581 9.629 -0.353 1.00 0.00 H new ATOM 679 N TYR A 50 3.267 7.452 -1.790 1.00 0.00 N ATOM 680 CA TYR A 50 3.817 6.238 -1.194 1.00 0.00 C ATOM 681 C TYR A 50 3.578 6.163 0.217 1.00 0.00 C ATOM 682 O TYR A 50 2.710 5.382 0.612 1.00 0.00 O ATOM 683 CB TYR A 50 5.294 5.982 -1.514 1.00 0.00 C ATOM 684 CG TYR A 50 5.984 7.016 -2.398 1.00 0.00 C ATOM 685 CD1 TYR A 50 5.551 7.257 -3.695 1.00 0.00 C ATOM 686 CD2 TYR A 50 7.081 7.736 -1.941 1.00 0.00 C ATOM 687 CE1 TYR A 50 6.183 8.179 -4.504 1.00 0.00 C ATOM 688 CE2 TYR A 50 7.716 8.661 -2.746 1.00 0.00 C ATOM 689 CZ TYR A 50 7.262 8.879 -4.023 1.00 0.00 C ATOM 690 OH TYR A 50 7.899 9.795 -4.823 1.00 0.00 O ATOM 0 H TYR A 50 3.891 7.908 -2.455 1.00 0.00 H new ATOM 0 HA TYR A 50 3.264 5.433 -1.678 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.841 5.916 -0.574 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.375 5.009 -1.999 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.702 6.711 -4.079 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.444 7.569 -0.938 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.831 8.349 -5.511 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.567 9.211 -2.372 1.00 0.00 H new ATOM 0 HH TYR A 50 8.641 10.202 -4.328 1.00 0.00 H new ATOM 699 N PRO A 51 4.240 6.864 1.062 1.00 0.00 N ATOM 700 CA PRO A 51 3.886 6.629 2.338 1.00 0.00 C ATOM 701 C PRO A 51 3.124 7.767 2.948 1.00 0.00 C ATOM 702 O PRO A 51 3.540 8.930 2.930 1.00 0.00 O ATOM 703 CB PRO A 51 5.205 6.395 2.933 1.00 0.00 C ATOM 704 CG PRO A 51 6.068 7.455 2.301 1.00 0.00 C ATOM 705 CD PRO A 51 5.407 7.748 0.968 1.00 0.00 C ATOM 0 HA PRO A 51 3.188 5.804 2.483 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.179 6.493 4.018 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.573 5.393 2.712 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.117 8.349 2.923 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.091 7.104 2.167 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.128 8.796 0.863 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.049 7.502 0.122 1.00 0.00 H new ATOM 710 N GLY A 52 2.016 7.416 3.486 1.00 0.00 N ATOM 711 CA GLY A 52 1.161 8.394 4.060 1.00 0.00 C ATOM 712 C GLY A 52 0.255 7.844 5.125 1.00 0.00 C ATOM 713 O GLY A 52 0.512 6.775 5.681 1.00 0.00 O ATOM 0 H GLY A 52 1.676 6.456 3.543 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.769 9.192 4.487 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.554 8.842 3.273 1.00 0.00 H new ATOM 717 N GLU A 53 -0.822 8.568 5.388 1.00 0.00 N ATOM 718 CA GLU A 53 -1.792 8.176 6.396 1.00 0.00 C ATOM 719 C GLU A 53 -3.180 8.696 6.051 1.00 0.00 C ATOM 720 O GLU A 53 -3.326 9.769 5.464 1.00 0.00 O ATOM 721 CB GLU A 53 -1.399 8.726 7.769 1.00 0.00 C ATOM 722 CG GLU A 53 -0.140 8.117 8.353 1.00 0.00 C ATOM 723 CD GLU A 53 0.246 8.750 9.670 1.00 0.00 C ATOM 724 OE1 GLU A 53 -0.296 8.330 10.714 1.00 0.00 O ATOM 725 OE2 GLU A 53 1.081 9.679 9.668 1.00 0.00 O ATOM 0 H GLU A 53 -1.047 9.441 4.910 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.806 7.086 6.422 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.262 9.804 7.689 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.223 8.560 8.463 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.290 7.047 8.497 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.679 8.232 7.643 1.00 0.00 H new ATOM 730 N SER A 54 -4.184 7.914 6.436 1.00 0.00 N ATOM 731 CA SER A 54 -5.593 8.235 6.250 1.00 0.00 C ATOM 732 C SER A 54 -5.934 8.743 4.842 1.00 0.00 C ATOM 733 O SER A 54 -6.668 9.717 4.693 1.00 0.00 O ATOM 734 CB SER A 54 -6.032 9.247 7.312 1.00 0.00 C ATOM 735 OG SER A 54 -5.177 10.381 7.343 1.00 0.00 O ATOM 0 H SER A 54 -4.035 7.017 6.898 1.00 0.00 H new ATOM 0 HA SER A 54 -6.146 7.303 6.366 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.054 9.567 7.109 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.037 8.768 8.291 1.00 0.00 H new ATOM 0 HG SER A 54 -5.067 10.733 6.435 1.00 0.00 H new ATOM 740 N PHE A 55 -5.416 8.086 3.807 1.00 0.00 N ATOM 741 CA PHE A 55 -5.723 8.504 2.443 1.00 0.00 C ATOM 742 C PHE A 55 -7.172 8.149 2.109 1.00 0.00 C ATOM 743 O PHE A 55 -7.897 8.941 1.518 1.00 0.00 O ATOM 744 CB PHE A 55 -4.765 7.861 1.420 1.00 0.00 C ATOM 745 CG PHE A 55 -5.097 6.438 1.054 1.00 0.00 C ATOM 746 CD1 PHE A 55 -4.778 5.391 1.901 1.00 0.00 C ATOM 747 CD2 PHE A 55 -5.739 6.151 -0.142 1.00 0.00 C ATOM 748 CE1 PHE A 55 -5.091 4.089 1.563 1.00 0.00 C ATOM 749 CE2 PHE A 55 -6.056 4.850 -0.484 1.00 0.00 C ATOM 750 CZ PHE A 55 -5.732 3.817 0.371 1.00 0.00 C ATOM 0 H PHE A 55 -4.796 7.280 3.883 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.589 9.584 2.382 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.766 8.465 0.513 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.752 7.891 1.822 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.279 5.594 2.837 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.995 6.956 -0.815 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.834 3.282 2.233 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.556 4.643 -1.418 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.979 2.799 0.109 1.00 0.00 H new ATOM 759 N GLY A 56 -7.608 6.980 2.582 1.00 0.00 N ATOM 760 CA GLY A 56 -8.956 6.501 2.311 1.00 0.00 C ATOM 761 C GLY A 56 -10.014 7.428 2.859 1.00 0.00 C ATOM 762 O GLY A 56 -11.171 7.384 2.447 1.00 0.00 O ATOM 0 H GLY A 56 -7.044 6.351 3.154 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.092 6.394 1.235 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.082 5.510 2.748 1.00 0.00 H new ATOM 766 N SER A 57 -9.602 8.272 3.788 1.00 0.00 N ATOM 767 CA SER A 57 -10.479 9.240 4.410 1.00 0.00 C ATOM 768 C SER A 57 -10.963 10.274 3.389 1.00 0.00 C ATOM 769 O SER A 57 -11.962 10.958 3.611 1.00 0.00 O ATOM 770 CB SER A 57 -9.719 9.921 5.542 1.00 0.00 C ATOM 771 OG SER A 57 -9.297 8.973 6.509 1.00 0.00 O ATOM 0 H SER A 57 -8.642 8.303 4.132 1.00 0.00 H new ATOM 0 HA SER A 57 -11.360 8.734 4.805 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.853 10.447 5.140 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.355 10.670 6.014 1.00 0.00 H new ATOM 0 HG SER A 57 -9.258 9.400 7.390 1.00 0.00 H new ATOM 776 N SER A 58 -10.246 10.386 2.273 1.00 0.00 N ATOM 777 CA SER A 58 -10.613 11.325 1.220 1.00 0.00 C ATOM 778 C SER A 58 -10.356 10.725 -0.164 1.00 0.00 C ATOM 779 O SER A 58 -10.237 11.452 -1.154 1.00 0.00 O ATOM 780 CB SER A 58 -9.827 12.629 1.381 1.00 0.00 C ATOM 781 OG SER A 58 -10.014 13.185 2.673 1.00 0.00 O ATOM 0 H SER A 58 -9.409 9.838 2.076 1.00 0.00 H new ATOM 0 HA SER A 58 -11.679 11.536 1.308 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.767 12.440 1.213 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.147 13.345 0.624 1.00 0.00 H new ATOM 0 HG SER A 58 -9.500 14.016 2.749 1.00 0.00 H new ATOM 786 N CYS A 59 -10.276 9.400 -0.229 1.00 0.00 N ATOM 787 CA CYS A 59 -10.033 8.709 -1.486 1.00 0.00 C ATOM 788 C CYS A 59 -11.094 7.649 -1.727 1.00 0.00 C ATOM 789 O CYS A 59 -11.566 7.005 -0.790 1.00 0.00 O ATOM 790 CB CYS A 59 -8.653 8.047 -1.483 1.00 0.00 C ATOM 791 SG CYS A 59 -7.262 9.198 -1.256 1.00 0.00 S ATOM 0 H CYS A 59 -10.376 8.784 0.578 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.074 9.449 -2.285 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -8.624 7.301 -0.689 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -8.518 7.515 -2.425 1.00 0.00 H new ATOM 795 N VAL A 60 -11.465 7.480 -2.983 1.00 0.00 N ATOM 796 CA VAL A 60 -12.460 6.493 -3.374 1.00 0.00 C ATOM 797 C VAL A 60 -11.998 5.767 -4.629 1.00 0.00 C ATOM 798 O VAL A 60 -10.979 6.137 -5.217 1.00 0.00 O ATOM 799 CB VAL A 60 -13.841 7.130 -3.646 1.00 0.00 C ATOM 800 CG1 VAL A 60 -14.446 7.691 -2.370 1.00 0.00 C ATOM 801 CG2 VAL A 60 -13.729 8.211 -4.710 1.00 0.00 C ATOM 0 H VAL A 60 -11.087 8.021 -3.761 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.566 5.796 -2.543 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.506 6.350 -4.016 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.417 8.133 -2.592 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -14.570 6.889 -1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -13.785 8.454 -1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.711 8.649 -4.889 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -13.043 8.986 -4.370 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -13.353 7.774 -5.635 1.00 0.00 H new ATOM 811 N LYS A 61 -12.747 4.742 -5.031 1.00 0.00 N ATOM 812 CA LYS A 61 -12.430 3.961 -6.228 1.00 0.00 C ATOM 813 C LYS A 61 -11.096 3.239 -6.067 1.00 0.00 C ATOM 814 O LYS A 61 -10.291 3.178 -6.998 1.00 0.00 O ATOM 815 CB LYS A 61 -12.403 4.850 -7.482 1.00 0.00 C ATOM 816 CG LYS A 61 -13.767 5.096 -8.140 1.00 0.00 C ATOM 817 CD LYS A 61 -14.774 5.769 -7.209 1.00 0.00 C ATOM 818 CE LYS A 61 -15.612 4.753 -6.440 1.00 0.00 C ATOM 819 NZ LYS A 61 -16.510 3.977 -7.334 1.00 0.00 N ATOM 0 H LYS A 61 -13.585 4.430 -4.541 1.00 0.00 H new ATOM 0 HA LYS A 61 -13.217 3.217 -6.353 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.968 5.813 -7.215 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.740 4.393 -8.217 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.629 5.717 -9.025 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -14.176 4.144 -8.479 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.244 6.409 -6.504 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -15.432 6.414 -7.792 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -14.952 4.068 -5.907 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -16.208 5.270 -5.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -17.308 3.601 -6.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -16.871 4.597 -8.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.981 3.189 -7.759 1.00 0.00 H new ATOM 829 N THR A 62 -10.875 2.698 -4.878 1.00 0.00 N ATOM 830 CA THR A 62 -9.647 1.976 -4.581 1.00 0.00 C ATOM 831 C THR A 62 -9.573 0.655 -5.343 1.00 0.00 C ATOM 832 O THR A 62 -10.527 -0.124 -5.349 1.00 0.00 O ATOM 833 CB THR A 62 -9.530 1.687 -3.075 1.00 0.00 C ATOM 834 OG1 THR A 62 -10.784 1.210 -2.570 1.00 0.00 O ATOM 835 CG2 THR A 62 -9.102 2.928 -2.309 1.00 0.00 C ATOM 0 H THR A 62 -11.533 2.746 -4.100 1.00 0.00 H new ATOM 0 HA THR A 62 -8.822 2.615 -4.897 1.00 0.00 H new ATOM 0 HB THR A 62 -8.767 0.921 -2.935 1.00 0.00 H new ATOM 0 HG1 THR A 62 -11.255 0.719 -3.275 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.028 2.693 -1.247 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.132 3.265 -2.675 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.839 3.718 -2.455 1.00 0.00 H new ATOM 843 N ALA A 63 -8.449 0.423 -5.997 1.00 0.00 N ATOM 844 CA ALA A 63 -8.229 -0.801 -6.749 1.00 0.00 C ATOM 845 C ALA A 63 -6.743 -1.108 -6.809 1.00 0.00 C ATOM 846 O ALA A 63 -5.917 -0.239 -6.532 1.00 0.00 O ATOM 847 CB ALA A 63 -8.806 -0.690 -8.153 1.00 0.00 C ATOM 0 H ALA A 63 -7.665 1.075 -6.022 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.742 -1.617 -6.240 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.628 -1.619 -8.694 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.879 -0.506 -8.092 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.326 0.135 -8.680 1.00 0.00 H new ATOM 853 N LEU A 64 -6.405 -2.340 -7.143 1.00 0.00 N ATOM 854 CA LEU A 64 -5.013 -2.739 -7.239 1.00 0.00 C ATOM 855 C LEU A 64 -4.720 -3.253 -8.643 1.00 0.00 C ATOM 856 O LEU A 64 -5.221 -4.300 -9.050 1.00 0.00 O ATOM 857 CB LEU A 64 -4.702 -3.813 -6.187 1.00 0.00 C ATOM 858 CG LEU A 64 -3.552 -3.479 -5.228 1.00 0.00 C ATOM 859 CD1 LEU A 64 -2.219 -3.541 -5.944 1.00 0.00 C ATOM 860 CD2 LEU A 64 -3.755 -2.100 -4.620 1.00 0.00 C ATOM 0 H LEU A 64 -7.074 -3.081 -7.352 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.375 -1.877 -7.047 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.602 -3.994 -5.599 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.465 -4.744 -6.702 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.549 -4.221 -4.429 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.419 -3.301 -5.244 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.065 -4.545 -6.340 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.212 -2.822 -6.764 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.931 -1.877 -3.942 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.784 -1.353 -5.413 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.695 -2.080 -4.068 1.00 0.00 H new ATOM 871 N ASN A 65 -3.904 -2.510 -9.378 1.00 0.00 N ATOM 872 CA ASN A 65 -3.553 -2.877 -10.742 1.00 0.00 C ATOM 873 C ASN A 65 -2.385 -3.839 -10.767 1.00 0.00 C ATOM 874 O ASN A 65 -1.315 -3.547 -10.220 1.00 0.00 O ATOM 875 CB ASN A 65 -3.215 -1.635 -11.570 1.00 0.00 C ATOM 876 CG ASN A 65 -4.448 -0.975 -12.158 1.00 0.00 C ATOM 877 OD1 ASN A 65 -5.056 -0.102 -11.540 1.00 0.00 O ATOM 878 ND2 ASN A 65 -4.820 -1.389 -13.358 1.00 0.00 N ATOM 0 H ASN A 65 -3.471 -1.646 -9.050 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.420 -3.371 -11.180 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.687 -0.917 -10.943 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.537 -1.914 -12.376 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -5.640 -0.981 -13.806 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -4.286 -2.116 -13.835 1.00 0.00 H new ATOM 884 N ASP A 66 -2.621 -5.004 -11.370 1.00 0.00 N ATOM 885 CA ASP A 66 -1.607 -6.045 -11.513 1.00 0.00 C ATOM 886 C ASP A 66 -1.060 -6.488 -10.161 1.00 0.00 C ATOM 887 O ASP A 66 0.057 -6.994 -10.065 1.00 0.00 O ATOM 888 CB ASP A 66 -0.476 -5.571 -12.428 1.00 0.00 C ATOM 889 CG ASP A 66 -0.682 -5.989 -13.870 1.00 0.00 C ATOM 890 OD1 ASP A 66 -1.412 -5.287 -14.603 1.00 0.00 O ATOM 891 OD2 ASP A 66 -0.109 -7.022 -14.284 1.00 0.00 O ATOM 0 H ASP A 66 -3.524 -5.252 -11.774 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.085 -6.911 -11.971 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.401 -4.485 -12.375 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.471 -5.973 -12.068 1.00 0.00 H new ATOM 895 N GLY A 67 -1.864 -6.283 -9.123 1.00 0.00 N ATOM 896 CA GLY A 67 -1.485 -6.664 -7.774 1.00 0.00 C ATOM 897 C GLY A 67 -0.162 -6.081 -7.315 1.00 0.00 C ATOM 898 O GLY A 67 0.612 -6.760 -6.643 1.00 0.00 O ATOM 0 H GLY A 67 -2.786 -5.853 -9.195 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.268 -6.347 -7.085 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.430 -7.751 -7.717 1.00 0.00 H new ATOM 902 N HIS A 68 0.102 -4.824 -7.659 1.00 0.00 N ATOM 903 CA HIS A 68 1.350 -4.182 -7.251 1.00 0.00 C ATOM 904 C HIS A 68 1.194 -2.662 -7.152 1.00 0.00 C ATOM 905 O HIS A 68 1.879 -2.006 -6.370 1.00 0.00 O ATOM 906 CB HIS A 68 2.498 -4.551 -8.210 1.00 0.00 C ATOM 907 CG HIS A 68 2.531 -3.782 -9.503 1.00 0.00 C ATOM 908 ND1 HIS A 68 3.487 -2.830 -9.776 1.00 0.00 N ATOM 909 CD2 HIS A 68 1.746 -3.849 -10.606 1.00 0.00 C ATOM 910 CE1 HIS A 68 3.294 -2.348 -10.988 1.00 0.00 C ATOM 911 NE2 HIS A 68 2.245 -2.949 -11.514 1.00 0.00 N ATOM 0 H HIS A 68 -0.521 -4.235 -8.212 1.00 0.00 H new ATOM 0 HA HIS A 68 1.600 -4.555 -6.258 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.445 -4.398 -7.692 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.429 -5.614 -8.441 1.00 0.00 H new ATOM 0 HD1 HIS A 68 4.230 -2.542 -9.139 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.888 -4.491 -10.744 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.894 -1.589 -11.469 1.00 0.00 H new ATOM 919 N THR A 69 0.289 -2.107 -7.941 1.00 0.00 N ATOM 920 CA THR A 69 0.052 -0.677 -7.945 1.00 0.00 C ATOM 921 C THR A 69 -1.362 -0.343 -7.469 1.00 0.00 C ATOM 922 O THR A 69 -2.334 -0.937 -7.923 1.00 0.00 O ATOM 923 CB THR A 69 0.273 -0.119 -9.363 1.00 0.00 C ATOM 924 OG1 THR A 69 1.677 -0.042 -9.655 1.00 0.00 O ATOM 925 CG2 THR A 69 -0.375 1.247 -9.542 1.00 0.00 C ATOM 0 H THR A 69 -0.297 -2.632 -8.591 1.00 0.00 H new ATOM 0 HA THR A 69 0.756 -0.215 -7.253 1.00 0.00 H new ATOM 0 HB THR A 69 -0.203 -0.805 -10.063 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.188 -0.402 -8.901 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.195 1.605 -10.556 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.448 1.166 -9.371 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.054 1.950 -8.828 1.00 0.00 H new ATOM 933 N LEU A 70 -1.462 0.600 -6.548 1.00 0.00 N ATOM 934 CA LEU A 70 -2.758 1.033 -6.025 1.00 0.00 C ATOM 935 C LEU A 70 -3.315 2.185 -6.851 1.00 0.00 C ATOM 936 O LEU A 70 -2.595 3.115 -7.190 1.00 0.00 O ATOM 937 CB LEU A 70 -2.630 1.453 -4.550 1.00 0.00 C ATOM 938 CG LEU A 70 -3.740 2.368 -4.008 1.00 0.00 C ATOM 939 CD1 LEU A 70 -5.091 1.673 -4.019 1.00 0.00 C ATOM 940 CD2 LEU A 70 -3.404 2.836 -2.602 1.00 0.00 C ATOM 0 H LEU A 70 -0.662 1.085 -6.142 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.449 0.193 -6.092 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.599 0.551 -3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.674 1.959 -4.419 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.803 3.235 -4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.851 2.350 -3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.346 1.390 -5.040 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.046 0.780 -3.395 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.200 3.483 -2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.305 1.972 -1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.465 3.389 -2.617 1.00 0.00 H new ATOM 951 N THR A 71 -4.589 2.104 -7.189 1.00 0.00 N ATOM 952 CA THR A 71 -5.249 3.144 -7.954 1.00 0.00 C ATOM 953 C THR A 71 -6.468 3.666 -7.208 1.00 0.00 C ATOM 954 O THR A 71 -7.284 2.883 -6.719 1.00 0.00 O ATOM 955 CB THR A 71 -5.678 2.634 -9.340 1.00 0.00 C ATOM 956 OG1 THR A 71 -5.892 1.214 -9.299 1.00 0.00 O ATOM 957 CG2 THR A 71 -4.630 2.976 -10.379 1.00 0.00 C ATOM 0 H THR A 71 -5.192 1.319 -6.942 1.00 0.00 H new ATOM 0 HA THR A 71 -4.532 3.954 -8.088 1.00 0.00 H new ATOM 0 HB THR A 71 -6.612 3.124 -9.617 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.445 0.794 -10.063 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.950 2.608 -11.354 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.502 4.057 -10.424 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.683 2.509 -10.108 1.00 0.00 H new ATOM 965 N ALA A 72 -6.575 4.982 -7.095 1.00 0.00 N ATOM 966 CA ALA A 72 -7.707 5.594 -6.410 1.00 0.00 C ATOM 967 C ALA A 72 -7.821 7.074 -6.737 1.00 0.00 C ATOM 968 O ALA A 72 -6.860 7.703 -7.185 1.00 0.00 O ATOM 969 CB ALA A 72 -7.597 5.404 -4.904 1.00 0.00 C ATOM 0 H ALA A 72 -5.895 5.645 -7.467 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.608 5.094 -6.765 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.453 5.869 -4.415 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.581 4.339 -4.672 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.678 5.867 -4.545 1.00 0.00 H new ATOM 975 N SER A 73 -9.003 7.619 -6.499 1.00 0.00 N ATOM 976 CA SER A 73 -9.276 9.019 -6.752 1.00 0.00 C ATOM 977 C SER A 73 -9.354 9.755 -5.420 1.00 0.00 C ATOM 978 O SER A 73 -10.130 9.371 -4.542 1.00 0.00 O ATOM 979 CB SER A 73 -10.588 9.163 -7.526 1.00 0.00 C ATOM 980 OG SER A 73 -10.762 10.484 -7.999 1.00 0.00 O ATOM 0 H SER A 73 -9.798 7.101 -6.125 1.00 0.00 H new ATOM 0 HA SER A 73 -8.477 9.451 -7.354 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.595 8.469 -8.367 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.425 8.892 -6.882 1.00 0.00 H new ATOM 0 HG SER A 73 -11.590 10.857 -7.631 1.00 0.00 H new ATOM 985 N CYS A 74 -8.559 10.802 -5.267 1.00 0.00 N ATOM 986 CA CYS A 74 -8.529 11.543 -4.015 1.00 0.00 C ATOM 987 C CYS A 74 -8.785 13.027 -4.214 1.00 0.00 C ATOM 988 O CYS A 74 -8.456 13.596 -5.256 1.00 0.00 O ATOM 989 CB CYS A 74 -7.172 11.360 -3.350 1.00 0.00 C ATOM 990 SG CYS A 74 -6.686 9.625 -3.145 1.00 0.00 S ATOM 0 H CYS A 74 -7.930 11.156 -5.988 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.326 11.148 -3.385 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -6.415 11.872 -3.944 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.189 11.841 -2.372 1.00 0.00 H new ATOM 994 N LYS A 75 -9.388 13.641 -3.208 1.00 0.00 N ATOM 995 CA LYS A 75 -9.669 15.066 -3.224 1.00 0.00 C ATOM 996 C LYS A 75 -8.603 15.807 -2.420 1.00 0.00 C ATOM 997 O LYS A 75 -8.119 15.296 -1.411 1.00 0.00 O ATOM 998 CB LYS A 75 -11.079 15.338 -2.660 1.00 0.00 C ATOM 999 CG LYS A 75 -11.361 16.803 -2.346 1.00 0.00 C ATOM 1000 CD LYS A 75 -10.999 17.137 -0.907 1.00 0.00 C ATOM 1001 CE LYS A 75 -10.868 18.631 -0.687 1.00 0.00 C ATOM 1002 NZ LYS A 75 -10.551 18.955 0.728 1.00 0.00 N ATOM 0 H LYS A 75 -9.695 13.166 -2.360 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.644 15.429 -4.251 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.819 14.984 -3.378 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.212 14.752 -1.751 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.792 17.439 -3.024 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.416 17.018 -2.518 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.762 16.738 -0.239 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.060 16.648 -0.646 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.085 19.026 -1.334 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.797 19.123 -0.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.469 19.986 0.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.310 18.600 1.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.651 18.506 0.994 1.00 0.00 H new ATOM 1012 N GLY A 76 -8.222 16.994 -2.877 1.00 0.00 N ATOM 1013 CA GLY A 76 -7.232 17.772 -2.159 1.00 0.00 C ATOM 1014 C GLY A 76 -6.535 18.782 -3.041 1.00 0.00 C ATOM 1015 O GLY A 76 -6.113 19.834 -2.572 1.00 0.00 O ATOM 0 H GLY A 76 -8.579 17.429 -3.728 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -7.714 18.290 -1.330 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.491 17.100 -1.727 1.00 0.00 H new ATOM 1019 N ALA A 77 -6.397 18.441 -4.317 1.00 0.00 N ATOM 1020 CA ALA A 77 -5.763 19.316 -5.298 1.00 0.00 C ATOM 1021 C ALA A 77 -6.294 20.742 -5.217 1.00 0.00 C ATOM 1022 O ALA A 77 -5.524 21.700 -5.216 1.00 0.00 O ATOM 1023 CB ALA A 77 -5.963 18.760 -6.696 1.00 0.00 C ATOM 0 H ALA A 77 -6.720 17.553 -4.701 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.698 19.351 -5.070 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.487 19.419 -7.421 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.517 17.767 -6.760 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.029 18.693 -6.912 1.00 0.00 H new ATOM 1029 N ASP A 78 -7.610 20.875 -5.125 1.00 0.00 N ATOM 1030 CA ASP A 78 -8.243 22.189 -5.046 1.00 0.00 C ATOM 1031 C ASP A 78 -9.728 22.024 -4.748 1.00 0.00 C ATOM 1032 O ASP A 78 -10.584 22.584 -5.427 1.00 0.00 O ATOM 1033 CB ASP A 78 -8.049 22.960 -6.361 1.00 0.00 C ATOM 1034 CG ASP A 78 -8.242 24.455 -6.200 1.00 0.00 C ATOM 1035 OD1 ASP A 78 -7.292 25.134 -5.746 1.00 0.00 O ATOM 1036 OD2 ASP A 78 -9.333 24.963 -6.530 1.00 0.00 O ATOM 0 H ASP A 78 -8.262 20.091 -5.103 1.00 0.00 H new ATOM 0 HA ASP A 78 -7.776 22.758 -4.242 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.048 22.767 -6.746 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.753 22.585 -7.104 1.00 0.00 H new ATOM 1040 N GLY A 79 -10.027 21.224 -3.732 1.00 0.00 N ATOM 1041 CA GLY A 79 -11.408 20.970 -3.363 1.00 0.00 C ATOM 1042 C GLY A 79 -12.073 19.984 -4.299 1.00 0.00 C ATOM 1043 O GLY A 79 -13.255 19.682 -4.163 1.00 0.00 O ATOM 0 H GLY A 79 -9.336 20.745 -3.155 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.446 20.585 -2.344 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.963 21.908 -3.370 1.00 0.00 H new ATOM 1047 N GLN A 80 -11.302 19.482 -5.250 1.00 0.00 N ATOM 1048 CA GLN A 80 -11.797 18.524 -6.220 1.00 0.00 C ATOM 1049 C GLN A 80 -10.969 17.248 -6.147 1.00 0.00 C ATOM 1050 O GLN A 80 -9.848 17.257 -5.622 1.00 0.00 O ATOM 1051 CB GLN A 80 -11.752 19.120 -7.631 1.00 0.00 C ATOM 1052 CG GLN A 80 -10.352 19.472 -8.120 1.00 0.00 C ATOM 1053 CD GLN A 80 -10.367 20.073 -9.513 1.00 0.00 C ATOM 1054 OE1 GLN A 80 -11.248 19.774 -10.317 1.00 0.00 O ATOM 1055 NE2 GLN A 80 -9.388 20.913 -9.818 1.00 0.00 N ATOM 0 H GLN A 80 -10.319 19.727 -5.370 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.835 18.284 -5.988 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -12.199 18.410 -8.327 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -12.368 20.019 -7.653 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.893 20.177 -7.427 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.732 18.575 -8.119 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.674 21.138 -9.125 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.348 21.335 -10.746 1.00 0.00 H new ATOM 1062 N TYR A 81 -11.524 16.159 -6.659 1.00 0.00 N ATOM 1063 CA TYR A 81 -10.848 14.873 -6.638 1.00 0.00 C ATOM 1064 C TYR A 81 -10.226 14.564 -7.995 1.00 0.00 C ATOM 1065 O TYR A 81 -10.612 15.137 -9.013 1.00 0.00 O ATOM 1066 CB TYR A 81 -11.828 13.759 -6.237 1.00 0.00 C ATOM 1067 CG TYR A 81 -12.938 13.523 -7.238 1.00 0.00 C ATOM 1068 CD1 TYR A 81 -12.762 12.632 -8.283 1.00 0.00 C ATOM 1069 CD2 TYR A 81 -14.154 14.187 -7.141 1.00 0.00 C ATOM 1070 CE1 TYR A 81 -13.758 12.401 -9.202 1.00 0.00 C ATOM 1071 CE2 TYR A 81 -15.161 13.962 -8.060 1.00 0.00 C ATOM 1072 CZ TYR A 81 -14.957 13.067 -9.090 1.00 0.00 C ATOM 1073 OH TYR A 81 -15.956 12.838 -10.008 1.00 0.00 O ATOM 0 H TYR A 81 -12.446 16.142 -7.096 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.049 14.922 -5.898 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.272 12.831 -6.102 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.270 14.009 -5.272 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.823 12.108 -8.378 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -14.315 14.889 -6.336 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -13.600 11.700 -10.008 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -16.103 14.484 -7.973 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.737 13.386 -9.785 1.00 0.00 H new ATOM 1082 N HIS A 82 -9.269 13.651 -7.999 1.00 0.00 N ATOM 1083 CA HIS A 82 -8.585 13.247 -9.213 1.00 0.00 C ATOM 1084 C HIS A 82 -8.068 11.828 -9.035 1.00 0.00 C ATOM 1085 O HIS A 82 -7.614 11.459 -7.953 1.00 0.00 O ATOM 1086 CB HIS A 82 -7.429 14.203 -9.517 1.00 0.00 C ATOM 1087 CG HIS A 82 -6.918 14.126 -10.923 1.00 0.00 C ATOM 1088 ND1 HIS A 82 -7.389 14.929 -11.940 1.00 0.00 N ATOM 1089 CD2 HIS A 82 -5.958 13.349 -11.479 1.00 0.00 C ATOM 1090 CE1 HIS A 82 -6.744 14.649 -13.055 1.00 0.00 C ATOM 1091 NE2 HIS A 82 -5.869 13.694 -12.803 1.00 0.00 N ATOM 0 H HIS A 82 -8.945 13.170 -7.160 1.00 0.00 H new ATOM 0 HA HIS A 82 -9.279 13.280 -10.053 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.755 15.224 -9.317 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.608 13.991 -8.832 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.371 12.597 -10.973 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.905 15.121 -14.013 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -5.231 13.280 -13.482 1.00 0.00 H new ATOM 1099 N ASP A 83 -8.151 11.035 -10.087 1.00 0.00 N ATOM 1100 CA ASP A 83 -7.706 9.646 -10.032 1.00 0.00 C ATOM 1101 C ASP A 83 -6.200 9.556 -10.226 1.00 0.00 C ATOM 1102 O ASP A 83 -5.640 10.181 -11.128 1.00 0.00 O ATOM 1103 CB ASP A 83 -8.431 8.807 -11.088 1.00 0.00 C ATOM 1104 CG ASP A 83 -8.022 7.346 -11.053 1.00 0.00 C ATOM 1105 OD1 ASP A 83 -8.221 6.693 -10.011 1.00 0.00 O ATOM 1106 OD2 ASP A 83 -7.497 6.845 -12.073 1.00 0.00 O ATOM 0 H ASP A 83 -8.522 11.324 -10.992 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.950 9.249 -9.047 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.507 8.883 -10.932 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.223 9.215 -12.077 1.00 0.00 H new ATOM 1110 N SER A 84 -5.550 8.786 -9.369 1.00 0.00 N ATOM 1111 CA SER A 84 -4.109 8.615 -9.431 1.00 0.00 C ATOM 1112 C SER A 84 -3.727 7.184 -9.071 1.00 0.00 C ATOM 1113 O SER A 84 -4.595 6.354 -8.788 1.00 0.00 O ATOM 1114 CB SER A 84 -3.424 9.605 -8.489 1.00 0.00 C ATOM 1115 OG SER A 84 -3.975 9.543 -7.184 1.00 0.00 O ATOM 0 H SER A 84 -6.002 8.266 -8.617 1.00 0.00 H new ATOM 0 HA SER A 84 -3.775 8.812 -10.450 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.356 9.389 -8.446 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.529 10.616 -8.882 1.00 0.00 H new ATOM 0 HG SER A 84 -4.812 10.053 -7.158 1.00 0.00 H new ATOM 1120 N SER A 85 -2.434 6.894 -9.100 1.00 0.00 N ATOM 1121 CA SER A 85 -1.950 5.562 -8.779 1.00 0.00 C ATOM 1122 C SER A 85 -0.680 5.635 -7.938 1.00 0.00 C ATOM 1123 O SER A 85 -0.006 6.663 -7.903 1.00 0.00 O ATOM 1124 CB SER A 85 -1.678 4.772 -10.056 1.00 0.00 C ATOM 1125 OG SER A 85 -2.249 5.412 -11.192 1.00 0.00 O ATOM 0 H SER A 85 -1.703 7.563 -9.342 1.00 0.00 H new ATOM 0 HA SER A 85 -2.722 5.053 -8.202 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.603 4.666 -10.198 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.088 3.767 -9.958 1.00 0.00 H new ATOM 0 HG SER A 85 -2.057 4.885 -11.995 1.00 0.00 H new ATOM 1130 N MET A 86 -0.360 4.538 -7.272 1.00 0.00 N ATOM 1131 CA MET A 86 0.817 4.464 -6.428 1.00 0.00 C ATOM 1132 C MET A 86 1.434 3.075 -6.483 1.00 0.00 C ATOM 1133 O MET A 86 0.753 2.081 -6.242 1.00 0.00 O ATOM 1134 CB MET A 86 0.432 4.815 -4.987 1.00 0.00 C ATOM 1135 CG MET A 86 1.561 4.631 -3.985 1.00 0.00 C ATOM 1136 SD MET A 86 3.135 5.259 -4.604 1.00 0.00 S ATOM 1137 CE MET A 86 2.668 6.903 -5.151 1.00 0.00 C ATOM 0 H MET A 86 -0.907 3.678 -7.302 1.00 0.00 H new ATOM 0 HA MET A 86 1.557 5.177 -6.791 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.095 5.851 -4.954 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.413 4.195 -4.686 1.00 0.00 H new ATOM 0 HG2 MET A 86 1.307 5.144 -3.057 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.663 3.572 -3.747 1.00 0.00 H new ATOM 0 HE1 MET A 86 3.507 7.366 -5.670 1.00 0.00 H new ATOM 0 HE2 MET A 86 1.817 6.833 -5.828 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.396 7.510 -4.288 1.00 0.00 H new ATOM 1145 N ASP A 87 2.716 3.004 -6.812 1.00 0.00 N ATOM 1146 CA ASP A 87 3.401 1.722 -6.870 1.00 0.00 C ATOM 1147 C ASP A 87 3.764 1.295 -5.458 1.00 0.00 C ATOM 1148 O ASP A 87 4.675 1.844 -4.844 1.00 0.00 O ATOM 1149 CB ASP A 87 4.656 1.797 -7.739 1.00 0.00 C ATOM 1150 CG ASP A 87 5.194 0.425 -8.087 1.00 0.00 C ATOM 1151 OD1 ASP A 87 4.412 -0.410 -8.584 1.00 0.00 O ATOM 1152 OD2 ASP A 87 6.402 0.187 -7.891 1.00 0.00 O ATOM 0 H ASP A 87 3.297 3.810 -7.041 1.00 0.00 H new ATOM 0 HA ASP A 87 2.735 0.988 -7.323 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.429 2.340 -8.657 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.425 2.365 -7.215 1.00 0.00 H new ATOM 1156 N LEU A 88 3.042 0.312 -4.954 1.00 0.00 N ATOM 1157 CA LEU A 88 3.243 -0.176 -3.598 1.00 0.00 C ATOM 1158 C LEU A 88 4.476 -1.054 -3.505 1.00 0.00 C ATOM 1159 O LEU A 88 4.897 -1.425 -2.410 1.00 0.00 O ATOM 1160 CB LEU A 88 2.020 -0.960 -3.133 1.00 0.00 C ATOM 1161 CG LEU A 88 0.666 -0.329 -3.466 1.00 0.00 C ATOM 1162 CD1 LEU A 88 -0.462 -1.205 -2.944 1.00 0.00 C ATOM 1163 CD2 LEU A 88 0.570 1.077 -2.884 1.00 0.00 C ATOM 0 H LEU A 88 2.304 -0.170 -5.467 1.00 0.00 H new ATOM 0 HA LEU A 88 3.388 0.690 -2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.057 -1.954 -3.578 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.084 -1.092 -2.053 1.00 0.00 H new ATOM 0 HG LEU A 88 0.574 -0.253 -4.549 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.421 -0.747 -3.186 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.403 -2.189 -3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.372 -1.308 -1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.400 1.508 -3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.680 1.031 -1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.361 1.699 -3.303 1.00 0.00 H new ATOM 1174 N ASN A 89 5.034 -1.402 -4.653 1.00 0.00 N ATOM 1175 CA ASN A 89 6.239 -2.239 -4.709 1.00 0.00 C ATOM 1176 C ASN A 89 7.327 -1.738 -3.764 1.00 0.00 C ATOM 1177 O ASN A 89 8.065 -2.533 -3.177 1.00 0.00 O ATOM 1178 CB ASN A 89 6.799 -2.294 -6.128 1.00 0.00 C ATOM 1179 CG ASN A 89 6.151 -3.369 -6.970 1.00 0.00 C ATOM 1180 OD1 ASN A 89 5.132 -3.142 -7.611 1.00 0.00 O ATOM 1181 ND2 ASN A 89 6.751 -4.548 -6.980 1.00 0.00 N ATOM 0 H ASN A 89 4.676 -1.121 -5.566 1.00 0.00 H new ATOM 0 HA ASN A 89 5.939 -3.238 -4.394 1.00 0.00 H new ATOM 0 HB2 ASN A 89 6.656 -1.326 -6.608 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.874 -2.472 -6.083 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.366 -5.311 -7.537 1.00 0.00 H new ATOM 0 HD22 ASN A 89 7.598 -4.694 -6.431 1.00 0.00 H new ATOM 1187 N TYR A 90 7.408 -0.427 -3.588 1.00 0.00 N ATOM 1188 CA TYR A 90 8.421 0.145 -2.723 1.00 0.00 C ATOM 1189 C TYR A 90 7.798 0.801 -1.500 1.00 0.00 C ATOM 1190 O TYR A 90 8.411 1.658 -0.860 1.00 0.00 O ATOM 1191 CB TYR A 90 9.311 1.128 -3.496 1.00 0.00 C ATOM 1192 CG TYR A 90 8.583 2.267 -4.187 1.00 0.00 C ATOM 1193 CD1 TYR A 90 8.073 2.122 -5.476 1.00 0.00 C ATOM 1194 CD2 TYR A 90 8.442 3.502 -3.565 1.00 0.00 C ATOM 1195 CE1 TYR A 90 7.450 3.173 -6.118 1.00 0.00 C ATOM 1196 CE2 TYR A 90 7.810 4.553 -4.199 1.00 0.00 C ATOM 1197 CZ TYR A 90 7.318 4.383 -5.476 1.00 0.00 C ATOM 1198 OH TYR A 90 6.711 5.436 -6.121 1.00 0.00 O ATOM 0 H TYR A 90 6.789 0.253 -4.030 1.00 0.00 H new ATOM 0 HA TYR A 90 9.055 -0.667 -2.367 1.00 0.00 H new ATOM 0 HB2 TYR A 90 10.039 1.552 -2.805 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.871 0.570 -4.246 1.00 0.00 H new ATOM 0 HD1 TYR A 90 8.167 1.172 -5.981 1.00 0.00 H new ATOM 0 HD2 TYR A 90 8.834 3.642 -2.568 1.00 0.00 H new ATOM 0 HE1 TYR A 90 7.068 3.046 -7.120 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.701 5.503 -3.697 1.00 0.00 H new ATOM 0 HH TYR A 90 6.453 6.117 -5.465 1.00 0.00 H new ATOM 1207 N VAL A 91 6.572 0.399 -1.182 1.00 0.00 N ATOM 1208 CA VAL A 91 5.887 0.933 -0.015 1.00 0.00 C ATOM 1209 C VAL A 91 5.400 -0.203 0.889 1.00 0.00 C ATOM 1210 O VAL A 91 4.958 0.027 2.015 1.00 0.00 O ATOM 1211 CB VAL A 91 4.724 1.892 -0.389 1.00 0.00 C ATOM 1212 CG1 VAL A 91 5.059 2.697 -1.616 1.00 0.00 C ATOM 1213 CG2 VAL A 91 3.400 1.191 -0.583 1.00 0.00 C ATOM 0 H VAL A 91 6.038 -0.289 -1.712 1.00 0.00 H new ATOM 0 HA VAL A 91 6.613 1.531 0.536 1.00 0.00 H new ATOM 0 HB VAL A 91 4.608 2.558 0.466 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.227 3.360 -1.855 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.954 3.291 -1.429 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.239 2.024 -2.455 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.635 1.923 -0.842 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.490 0.460 -1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.119 0.683 0.340 1.00 0.00 H new ATOM 1223 N VAL A 92 5.510 -1.438 0.396 1.00 0.00 N ATOM 1224 CA VAL A 92 5.097 -2.613 1.160 1.00 0.00 C ATOM 1225 C VAL A 92 5.877 -3.860 0.733 1.00 0.00 C ATOM 1226 O VAL A 92 6.129 -4.078 -0.454 1.00 0.00 O ATOM 1227 CB VAL A 92 3.574 -2.869 1.030 1.00 0.00 C ATOM 1228 CG1 VAL A 92 3.169 -3.107 -0.409 1.00 0.00 C ATOM 1229 CG2 VAL A 92 3.133 -4.027 1.914 1.00 0.00 C ATOM 0 H VAL A 92 5.882 -1.649 -0.530 1.00 0.00 H new ATOM 0 HA VAL A 92 5.322 -2.406 2.206 1.00 0.00 H new ATOM 0 HB VAL A 92 3.065 -1.968 1.372 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.094 -3.283 -0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.423 -2.232 -1.008 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.698 -3.978 -0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.060 -4.183 1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.664 -4.932 1.619 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.359 -3.796 2.955 1.00 0.00 H new ATOM 1239 N GLY A 93 6.281 -4.664 1.712 1.00 0.00 N ATOM 1240 CA GLY A 93 7.020 -5.875 1.419 1.00 0.00 C ATOM 1241 C GLY A 93 6.464 -7.091 2.131 1.00 0.00 C ATOM 1242 O GLY A 93 5.573 -6.977 2.978 1.00 0.00 O ATOM 0 H GLY A 93 6.109 -4.497 2.703 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.006 -6.052 0.344 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.062 -5.737 1.706 1.00 0.00 H new ATOM 1246 N ASN A 94 6.995 -8.254 1.780 1.00 0.00 N ATOM 1247 CA ASN A 94 6.573 -9.514 2.377 1.00 0.00 C ATOM 1248 C ASN A 94 7.704 -10.117 3.191 1.00 0.00 C ATOM 1249 O ASN A 94 8.752 -10.469 2.647 1.00 0.00 O ATOM 1250 CB ASN A 94 6.146 -10.514 1.300 1.00 0.00 C ATOM 1251 CG ASN A 94 5.901 -11.906 1.867 1.00 0.00 C ATOM 1252 OD1 ASN A 94 5.425 -12.063 2.990 1.00 0.00 O ATOM 1253 ND2 ASN A 94 6.249 -12.926 1.099 1.00 0.00 N ATOM 0 H ASN A 94 7.727 -8.351 1.077 1.00 0.00 H new ATOM 0 HA ASN A 94 5.723 -9.305 3.027 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.237 -10.157 0.815 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.917 -10.568 0.531 1.00 0.00 H new ATOM 0 HD21 ASN A 94 6.125 -13.882 1.433 1.00 0.00 H new ATOM 0 HD22 ASN A 94 6.641 -12.757 0.173 1.00 0.00 H new ATOM 1259 N SER A 95 7.492 -10.244 4.483 1.00 0.00 N ATOM 1260 CA SER A 95 8.493 -10.819 5.354 1.00 0.00 C ATOM 1261 C SER A 95 8.036 -12.164 5.887 1.00 0.00 C ATOM 1262 O SER A 95 7.580 -12.262 7.025 1.00 0.00 O ATOM 1263 CB SER A 95 8.792 -9.878 6.511 1.00 0.00 C ATOM 1264 OG SER A 95 9.473 -8.717 6.068 1.00 0.00 O ATOM 0 H SER A 95 6.634 -9.956 4.954 1.00 0.00 H new ATOM 0 HA SER A 95 9.403 -10.967 4.772 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.861 -9.592 7.000 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.397 -10.395 7.256 1.00 0.00 H new ATOM 0 HG SER A 95 9.465 -8.042 6.778 1.00 0.00 H new ATOM 1269 N TYR A 96 8.151 -13.192 5.052 1.00 0.00 N ATOM 1270 CA TYR A 96 7.771 -14.546 5.440 1.00 0.00 C ATOM 1271 C TYR A 96 6.274 -14.661 5.674 1.00 0.00 C ATOM 1272 O TYR A 96 5.834 -15.013 6.767 1.00 0.00 O ATOM 1273 CB TYR A 96 8.536 -14.963 6.695 1.00 0.00 C ATOM 1274 CG TYR A 96 10.019 -15.127 6.452 1.00 0.00 C ATOM 1275 CD1 TYR A 96 10.487 -16.012 5.491 1.00 0.00 C ATOM 1276 CD2 TYR A 96 10.951 -14.388 7.171 1.00 0.00 C ATOM 1277 CE1 TYR A 96 11.838 -16.158 5.249 1.00 0.00 C ATOM 1278 CE2 TYR A 96 12.308 -14.531 6.937 1.00 0.00 C ATOM 1279 CZ TYR A 96 12.745 -15.417 5.974 1.00 0.00 C ATOM 1280 OH TYR A 96 14.092 -15.560 5.728 1.00 0.00 O ATOM 0 H TYR A 96 8.506 -13.112 4.099 1.00 0.00 H new ATOM 0 HA TYR A 96 8.030 -15.216 4.620 1.00 0.00 H new ATOM 0 HB2 TYR A 96 8.381 -14.216 7.474 1.00 0.00 H new ATOM 0 HB3 TYR A 96 8.128 -15.902 7.068 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.781 -16.598 4.922 1.00 0.00 H new ATOM 0 HD2 TYR A 96 10.612 -13.692 7.924 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.182 -16.850 4.495 1.00 0.00 H new ATOM 0 HE2 TYR A 96 13.021 -13.952 7.505 1.00 0.00 H new ATOM 0 HH TYR A 96 14.598 -14.967 6.322 1.00 0.00 H new ATOM 1289 N GLY A 97 5.500 -14.392 4.631 1.00 0.00 N ATOM 1290 CA GLY A 97 4.056 -14.457 4.737 1.00 0.00 C ATOM 1291 C GLY A 97 3.524 -13.481 5.764 1.00 0.00 C ATOM 1292 O GLY A 97 2.429 -13.660 6.295 1.00 0.00 O ATOM 0 H GLY A 97 5.849 -14.129 3.709 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.610 -14.242 3.766 1.00 0.00 H new ATOM 0 HA3 GLY A 97 3.757 -15.469 5.008 1.00 0.00 H new ATOM 1296 N TYR A 98 4.304 -12.446 6.038 1.00 0.00 N ATOM 1297 CA TYR A 98 3.928 -11.454 7.019 1.00 0.00 C ATOM 1298 C TYR A 98 3.999 -10.058 6.422 1.00 0.00 C ATOM 1299 O TYR A 98 4.976 -9.701 5.762 1.00 0.00 O ATOM 1300 CB TYR A 98 4.853 -11.556 8.231 1.00 0.00 C ATOM 1301 CG TYR A 98 4.405 -10.719 9.410 1.00 0.00 C ATOM 1302 CD1 TYR A 98 3.058 -10.438 9.618 1.00 0.00 C ATOM 1303 CD2 TYR A 98 5.329 -10.204 10.310 1.00 0.00 C ATOM 1304 CE1 TYR A 98 2.648 -9.663 10.685 1.00 0.00 C ATOM 1305 CE2 TYR A 98 4.926 -9.432 11.382 1.00 0.00 C ATOM 1306 CZ TYR A 98 3.586 -9.163 11.565 1.00 0.00 C ATOM 1307 OH TYR A 98 3.182 -8.387 12.626 1.00 0.00 O ATOM 0 H TYR A 98 5.204 -12.276 5.589 1.00 0.00 H new ATOM 0 HA TYR A 98 2.901 -11.640 7.333 1.00 0.00 H new ATOM 0 HB2 TYR A 98 4.918 -12.599 8.541 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.857 -11.248 7.938 1.00 0.00 H new ATOM 0 HD1 TYR A 98 2.321 -10.832 8.934 1.00 0.00 H new ATOM 0 HD2 TYR A 98 6.380 -10.411 10.169 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.599 -9.449 10.830 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.657 -9.041 12.074 1.00 0.00 H new ATOM 0 HH TYR A 98 3.965 -8.116 13.150 1.00 0.00 H new ATOM 1316 N MET A 99 2.943 -9.291 6.639 1.00 0.00 N ATOM 1317 CA MET A 99 2.865 -7.922 6.142 1.00 0.00 C ATOM 1318 C MET A 99 3.926 -7.025 6.783 1.00 0.00 C ATOM 1319 O MET A 99 3.941 -6.829 7.999 1.00 0.00 O ATOM 1320 CB MET A 99 1.476 -7.329 6.414 1.00 0.00 C ATOM 1321 CG MET A 99 1.083 -7.327 7.887 1.00 0.00 C ATOM 1322 SD MET A 99 -0.342 -6.281 8.231 1.00 0.00 S ATOM 1323 CE MET A 99 -0.522 -6.520 9.998 1.00 0.00 C ATOM 0 H MET A 99 2.120 -9.594 7.160 1.00 0.00 H new ATOM 0 HA MET A 99 3.046 -7.961 5.068 1.00 0.00 H new ATOM 0 HB2 MET A 99 1.449 -6.306 6.039 1.00 0.00 H new ATOM 0 HB3 MET A 99 0.734 -7.894 5.851 1.00 0.00 H new ATOM 0 HG2 MET A 99 0.862 -8.347 8.200 1.00 0.00 H new ATOM 0 HG3 MET A 99 1.930 -6.987 8.483 1.00 0.00 H new ATOM 0 HE1 MET A 99 -1.367 -5.934 10.360 1.00 0.00 H new ATOM 0 HE2 MET A 99 -0.697 -7.576 10.206 1.00 0.00 H new ATOM 0 HE3 MET A 99 0.388 -6.196 10.504 1.00 0.00 H new ATOM 1331 N GLU A 100 4.825 -6.499 5.964 1.00 0.00 N ATOM 1332 CA GLU A 100 5.860 -5.587 6.442 1.00 0.00 C ATOM 1333 C GLU A 100 6.102 -4.490 5.410 1.00 0.00 C ATOM 1334 O GLU A 100 7.016 -4.574 4.589 1.00 0.00 O ATOM 1335 CB GLU A 100 7.166 -6.320 6.765 1.00 0.00 C ATOM 1336 CG GLU A 100 7.088 -7.188 8.011 1.00 0.00 C ATOM 1337 CD GLU A 100 8.318 -7.062 8.885 1.00 0.00 C ATOM 1338 OE1 GLU A 100 9.388 -7.572 8.498 1.00 0.00 O ATOM 1339 OE2 GLU A 100 8.221 -6.435 9.963 1.00 0.00 O ATOM 0 H GLU A 100 4.860 -6.687 4.962 1.00 0.00 H new ATOM 0 HA GLU A 100 5.506 -5.138 7.370 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.442 -6.944 5.915 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.962 -5.586 6.893 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.206 -6.910 8.588 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.961 -8.230 7.716 1.00 0.00 H new ATOM 1344 N PRO A 101 5.247 -3.460 5.417 1.00 0.00 N ATOM 1345 CA PRO A 101 5.356 -2.332 4.493 1.00 0.00 C ATOM 1346 C PRO A 101 6.547 -1.433 4.824 1.00 0.00 C ATOM 1347 O PRO A 101 6.690 -0.957 5.955 1.00 0.00 O ATOM 1348 CB PRO A 101 4.035 -1.587 4.689 1.00 0.00 C ATOM 1349 CG PRO A 101 3.618 -1.920 6.076 1.00 0.00 C ATOM 1350 CD PRO A 101 4.098 -3.320 6.330 1.00 0.00 C ATOM 0 HA PRO A 101 5.524 -2.652 3.465 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.163 -0.512 4.561 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.288 -1.907 3.963 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.053 -1.223 6.792 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.535 -1.853 6.184 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.392 -3.461 7.370 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.323 -4.055 6.115 1.00 0.00 H new ATOM 1355 N CYS A 102 7.398 -1.204 3.839 1.00 0.00 N ATOM 1356 CA CYS A 102 8.577 -0.382 4.031 1.00 0.00 C ATOM 1357 C CYS A 102 8.498 0.881 3.185 1.00 0.00 C ATOM 1358 O CYS A 102 8.187 0.821 2.001 1.00 0.00 O ATOM 1359 CB CYS A 102 9.836 -1.168 3.656 1.00 0.00 C ATOM 1360 SG CYS A 102 9.924 -1.620 1.888 1.00 0.00 S ATOM 0 H CYS A 102 7.293 -1.578 2.896 1.00 0.00 H new ATOM 0 HA CYS A 102 8.625 -0.100 5.083 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.713 -0.575 3.914 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.878 -2.077 4.256 1.00 0.00 H new ATOM 1364 N ARG A 103 8.759 2.029 3.788 1.00 0.00 N ATOM 1365 CA ARG A 103 8.732 3.278 3.043 1.00 0.00 C ATOM 1366 C ARG A 103 10.145 3.840 2.938 1.00 0.00 C ATOM 1367 O ARG A 103 10.926 3.755 3.884 1.00 0.00 O ATOM 1368 CB ARG A 103 7.770 4.300 3.679 1.00 0.00 C ATOM 1369 CG ARG A 103 8.352 5.144 4.811 1.00 0.00 C ATOM 1370 CD ARG A 103 8.874 4.285 5.943 1.00 0.00 C ATOM 1371 NE ARG A 103 9.346 5.074 7.079 1.00 0.00 N ATOM 1372 CZ ARG A 103 9.683 4.550 8.258 1.00 0.00 C ATOM 1373 NH1 ARG A 103 9.574 3.242 8.461 1.00 0.00 N ATOM 1374 NH2 ARG A 103 10.132 5.338 9.226 1.00 0.00 N ATOM 0 H ARG A 103 8.989 2.123 4.777 1.00 0.00 H new ATOM 0 HA ARG A 103 8.356 3.075 2.040 1.00 0.00 H new ATOM 0 HB2 ARG A 103 7.413 4.971 2.897 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.901 3.764 4.060 1.00 0.00 H new ATOM 0 HG2 ARG A 103 9.160 5.764 4.423 1.00 0.00 H new ATOM 0 HG3 ARG A 103 7.586 5.820 5.191 1.00 0.00 H new ATOM 0 HD2 ARG A 103 8.084 3.612 6.277 1.00 0.00 H new ATOM 0 HD3 ARG A 103 9.689 3.662 5.575 1.00 0.00 H new ATOM 0 HE ARG A 103 9.422 6.085 6.963 1.00 0.00 H new ATOM 0 HH11 ARG A 103 9.232 2.637 7.715 1.00 0.00 H new ATOM 0 HH12 ARG A 103 9.832 2.843 9.363 1.00 0.00 H new ATOM 0 HH21 ARG A 103 10.219 6.342 9.067 1.00 0.00 H new ATOM 0 HH22 ARG A 103 10.391 4.940 10.129 1.00 0.00 H new ATOM 1385 N ALA A 104 10.484 4.390 1.790 1.00 0.00 N ATOM 1386 CA ALA A 104 11.811 4.954 1.598 1.00 0.00 C ATOM 1387 C ALA A 104 11.724 6.407 1.172 1.00 0.00 C ATOM 1388 O ALA A 104 12.704 6.995 0.716 1.00 0.00 O ATOM 1389 CB ALA A 104 12.586 4.143 0.571 1.00 0.00 C ATOM 0 H ALA A 104 9.868 4.460 0.980 1.00 0.00 H new ATOM 0 HA ALA A 104 12.342 4.911 2.549 1.00 0.00 H new ATOM 0 HB1 ALA A 104 13.577 4.577 0.438 1.00 0.00 H new ATOM 0 HB2 ALA A 104 12.684 3.114 0.918 1.00 0.00 H new ATOM 0 HB3 ALA A 104 12.053 4.156 -0.380 1.00 0.00 H new ATOM 1395 N SER A 105 10.550 6.995 1.355 1.00 0.00 N ATOM 1396 CA SER A 105 10.329 8.387 0.958 1.00 0.00 C ATOM 1397 C SER A 105 9.129 8.994 1.685 1.00 0.00 C ATOM 1398 O SER A 105 8.127 9.343 1.070 1.00 0.00 O ATOM 1399 CB SER A 105 10.127 8.495 -0.559 1.00 0.00 C ATOM 1400 OG SER A 105 11.267 8.049 -1.274 1.00 0.00 O ATOM 0 H SER A 105 9.739 6.538 1.772 1.00 0.00 H new ATOM 0 HA SER A 105 11.220 8.949 1.240 1.00 0.00 H new ATOM 0 HB2 SER A 105 9.259 7.905 -0.853 1.00 0.00 H new ATOM 0 HB3 SER A 105 9.913 9.530 -0.825 1.00 0.00 H new ATOM 0 HG SER A 105 12.033 7.990 -0.665 1.00 0.00 H new ATOM 1405 N ASN A 106 9.250 9.112 2.994 1.00 0.00 N ATOM 1406 CA ASN A 106 8.209 9.684 3.837 1.00 0.00 C ATOM 1407 C ASN A 106 8.714 10.980 4.441 1.00 0.00 C ATOM 1408 O ASN A 106 9.179 11.013 5.580 1.00 0.00 O ATOM 1409 CB ASN A 106 7.830 8.713 4.952 1.00 0.00 C ATOM 1410 CG ASN A 106 6.692 9.212 5.832 1.00 0.00 C ATOM 1411 OD1 ASN A 106 6.688 8.976 7.039 1.00 0.00 O ATOM 1412 ND2 ASN A 106 5.707 9.870 5.238 1.00 0.00 N ATOM 0 H ASN A 106 10.078 8.812 3.509 1.00 0.00 H new ATOM 0 HA ASN A 106 7.325 9.877 3.229 1.00 0.00 H new ATOM 0 HB2 ASN A 106 7.545 7.758 4.510 1.00 0.00 H new ATOM 0 HB3 ASN A 106 8.705 8.527 5.574 1.00 0.00 H new ATOM 0 HD21 ASN A 106 4.911 10.199 5.785 1.00 0.00 H new ATOM 0 HD22 ASN A 106 5.745 10.047 4.234 1.00 0.00 H new ATOM 1418 N ALA A 107 8.670 12.025 3.647 1.00 0.00 N ATOM 1419 CA ALA A 107 9.117 13.340 4.087 1.00 0.00 C ATOM 1420 C ALA A 107 8.247 13.852 5.228 1.00 0.00 C ATOM 1421 O ALA A 107 7.046 14.069 5.061 1.00 0.00 O ATOM 1422 CB ALA A 107 9.109 14.320 2.928 1.00 0.00 C ATOM 0 H ALA A 107 8.328 11.996 2.686 1.00 0.00 H new ATOM 0 HA ALA A 107 10.139 13.248 4.454 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.446 15.297 3.275 1.00 0.00 H new ATOM 0 HB2 ALA A 107 9.778 13.963 2.145 1.00 0.00 H new ATOM 0 HB3 ALA A 107 8.098 14.405 2.530 1.00 0.00 H new ATOM 1428 N ASP A 108 8.862 14.025 6.390 1.00 0.00 N ATOM 1429 CA ASP A 108 8.155 14.500 7.571 1.00 0.00 C ATOM 1430 C ASP A 108 9.139 15.062 8.584 1.00 0.00 C ATOM 1431 O ASP A 108 9.201 16.272 8.810 1.00 0.00 O ATOM 1432 CB ASP A 108 7.344 13.364 8.203 1.00 0.00 C ATOM 1433 CG ASP A 108 6.540 13.818 9.404 1.00 0.00 C ATOM 1434 OD1 ASP A 108 5.413 14.327 9.214 1.00 0.00 O ATOM 1435 OD2 ASP A 108 7.030 13.667 10.543 1.00 0.00 O ATOM 0 H ASP A 108 9.854 13.842 6.540 1.00 0.00 H new ATOM 0 HA ASP A 108 7.470 15.292 7.267 1.00 0.00 H new ATOM 0 HB2 ASP A 108 6.669 12.946 7.456 1.00 0.00 H new ATOM 0 HB3 ASP A 108 8.020 12.564 8.505 1.00 0.00 H new ATOM 1439 N HIS A 109 9.921 14.178 9.175 1.00 0.00 N ATOM 1440 CA HIS A 109 10.907 14.574 10.170 1.00 0.00 C ATOM 1441 C HIS A 109 12.238 13.868 9.918 1.00 0.00 C ATOM 1442 O HIS A 109 13.189 14.473 9.422 1.00 0.00 O ATOM 1443 CB HIS A 109 10.379 14.252 11.574 1.00 0.00 C ATOM 1444 CG HIS A 109 11.210 14.806 12.689 1.00 0.00 C ATOM 1445 ND1 HIS A 109 11.742 14.027 13.691 1.00 0.00 N ATOM 1446 CD2 HIS A 109 11.574 16.076 12.974 1.00 0.00 C ATOM 1447 CE1 HIS A 109 12.394 14.794 14.543 1.00 0.00 C ATOM 1448 NE2 HIS A 109 12.308 16.046 14.134 1.00 0.00 N ATOM 0 H HIS A 109 9.894 13.176 8.984 1.00 0.00 H new ATOM 0 HA HIS A 109 11.078 15.648 10.094 1.00 0.00 H new ATOM 0 HB2 HIS A 109 9.365 14.640 11.665 1.00 0.00 H new ATOM 0 HB3 HIS A 109 10.317 13.170 11.686 1.00 0.00 H new ATOM 0 HD2 HIS A 109 11.332 16.955 12.395 1.00 0.00 H new ATOM 0 HE1 HIS A 109 12.912 14.454 15.428 1.00 0.00 H new ATOM 0 HE2 HIS A 109 12.718 16.855 14.601 1.00 0.00 H new ATOM 1456 N VAL A 110 12.293 12.583 10.240 1.00 0.00 N ATOM 1457 CA VAL A 110 13.499 11.789 10.054 1.00 0.00 C ATOM 1458 C VAL A 110 13.239 10.658 9.075 1.00 0.00 C ATOM 1459 O VAL A 110 12.781 9.578 9.452 1.00 0.00 O ATOM 1460 CB VAL A 110 14.017 11.203 11.388 1.00 0.00 C ATOM 1461 CG1 VAL A 110 15.283 10.383 11.171 1.00 0.00 C ATOM 1462 CG2 VAL A 110 14.274 12.311 12.396 1.00 0.00 C ATOM 0 H VAL A 110 11.508 12.065 10.635 1.00 0.00 H new ATOM 0 HA VAL A 110 14.264 12.455 9.656 1.00 0.00 H new ATOM 0 HB VAL A 110 13.246 10.542 11.784 1.00 0.00 H new ATOM 0 HG11 VAL A 110 15.625 9.983 12.125 1.00 0.00 H new ATOM 0 HG12 VAL A 110 15.071 9.561 10.488 1.00 0.00 H new ATOM 0 HG13 VAL A 110 16.059 11.018 10.744 1.00 0.00 H new ATOM 0 HG21 VAL A 110 14.638 11.878 13.328 1.00 0.00 H new ATOM 0 HG22 VAL A 110 15.021 12.998 11.999 1.00 0.00 H new ATOM 0 HG23 VAL A 110 13.347 12.853 12.585 1.00 0.00 H new ATOM 1472 N LEU A 111 13.505 10.918 7.810 1.00 0.00 N ATOM 1473 CA LEU A 111 13.314 9.912 6.784 1.00 0.00 C ATOM 1474 C LEU A 111 14.593 9.115 6.592 1.00 0.00 C ATOM 1475 O LEU A 111 15.454 9.492 5.797 1.00 0.00 O ATOM 1476 CB LEU A 111 12.879 10.552 5.463 1.00 0.00 C ATOM 1477 CG LEU A 111 12.783 9.590 4.275 1.00 0.00 C ATOM 1478 CD1 LEU A 111 11.812 8.452 4.574 1.00 0.00 C ATOM 1479 CD2 LEU A 111 12.364 10.344 3.024 1.00 0.00 C ATOM 0 H LEU A 111 13.853 11.814 7.469 1.00 0.00 H new ATOM 0 HA LEU A 111 12.522 9.237 7.107 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.907 11.023 5.608 1.00 0.00 H new ATOM 0 HB3 LEU A 111 13.583 11.345 5.212 1.00 0.00 H new ATOM 0 HG LEU A 111 13.766 9.152 4.103 1.00 0.00 H new ATOM 0 HD11 LEU A 111 11.761 7.782 3.716 1.00 0.00 H new ATOM 0 HD12 LEU A 111 12.158 7.898 5.446 1.00 0.00 H new ATOM 0 HD13 LEU A 111 10.822 8.862 4.774 1.00 0.00 H new ATOM 0 HD21 LEU A 111 12.299 9.650 2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 111 11.391 10.808 3.187 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.101 11.115 2.800 1.00 0.00 H new ATOM 1490 N LYS A 112 14.728 8.038 7.362 1.00 0.00 N ATOM 1491 CA LYS A 112 15.890 7.159 7.281 1.00 0.00 C ATOM 1492 C LYS A 112 17.170 7.932 7.592 1.00 0.00 C ATOM 1493 O LYS A 112 18.255 7.607 7.100 1.00 0.00 O ATOM 1494 CB LYS A 112 15.952 6.554 5.880 1.00 0.00 C ATOM 1495 CG LYS A 112 16.846 5.344 5.746 1.00 0.00 C ATOM 1496 CD LYS A 112 16.932 4.931 4.296 1.00 0.00 C ATOM 1497 CE LYS A 112 17.856 5.848 3.511 1.00 0.00 C ATOM 1498 NZ LYS A 112 17.869 5.527 2.061 1.00 0.00 N ATOM 0 H LYS A 112 14.038 7.752 8.056 1.00 0.00 H new ATOM 0 HA LYS A 112 15.798 6.361 8.018 1.00 0.00 H new ATOM 0 HB2 LYS A 112 14.943 6.277 5.575 1.00 0.00 H new ATOM 0 HB3 LYS A 112 16.296 7.320 5.185 1.00 0.00 H new ATOM 0 HG2 LYS A 112 17.841 5.571 6.129 1.00 0.00 H new ATOM 0 HG3 LYS A 112 16.454 4.522 6.345 1.00 0.00 H new ATOM 0 HD2 LYS A 112 17.293 3.905 4.229 1.00 0.00 H new ATOM 0 HD3 LYS A 112 15.937 4.948 3.852 1.00 0.00 H new ATOM 0 HE2 LYS A 112 17.541 6.882 3.649 1.00 0.00 H new ATOM 0 HE3 LYS A 112 18.868 5.767 3.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 18.512 6.178 1.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 18.195 4.549 1.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 16.909 5.629 1.674 1.00 0.00 H new ATOM 1508 N SER A 113 17.019 8.964 8.420 1.00 0.00 N ATOM 1509 CA SER A 113 18.122 9.835 8.806 1.00 0.00 C ATOM 1510 C SER A 113 18.748 10.472 7.556 1.00 0.00 C ATOM 1511 O SER A 113 19.892 10.925 7.569 1.00 0.00 O ATOM 1512 CB SER A 113 19.159 9.040 9.611 1.00 0.00 C ATOM 1513 OG SER A 113 20.087 9.891 10.269 1.00 0.00 O ATOM 0 H SER A 113 16.126 9.218 8.842 1.00 0.00 H new ATOM 0 HA SER A 113 17.748 10.638 9.441 1.00 0.00 H new ATOM 0 HB2 SER A 113 18.648 8.421 10.349 1.00 0.00 H new ATOM 0 HB3 SER A 113 19.696 8.365 8.944 1.00 0.00 H new ATOM 0 HG SER A 113 20.365 10.606 9.659 1.00 0.00 H new ATOM 1518 N SER A 114 17.966 10.515 6.483 1.00 0.00 N ATOM 1519 CA SER A 114 18.406 11.067 5.217 1.00 0.00 C ATOM 1520 C SER A 114 17.258 11.852 4.584 1.00 0.00 C ATOM 1521 O SER A 114 16.871 11.610 3.439 1.00 0.00 O ATOM 1522 CB SER A 114 18.862 9.927 4.294 1.00 0.00 C ATOM 1523 OG SER A 114 19.586 10.418 3.181 1.00 0.00 O ATOM 0 H SER A 114 17.008 10.166 6.472 1.00 0.00 H new ATOM 0 HA SER A 114 19.247 11.743 5.374 1.00 0.00 H new ATOM 0 HB2 SER A 114 19.484 9.230 4.855 1.00 0.00 H new ATOM 0 HB3 SER A 114 17.992 9.369 3.946 1.00 0.00 H new ATOM 0 HG SER A 114 19.045 11.083 2.706 1.00 0.00 H new ATOM 1528 N SER A 115 16.711 12.787 5.350 1.00 0.00 N ATOM 1529 CA SER A 115 15.596 13.606 4.892 1.00 0.00 C ATOM 1530 C SER A 115 16.017 14.529 3.745 1.00 0.00 C ATOM 1531 O SER A 115 15.215 14.842 2.862 1.00 0.00 O ATOM 1532 CB SER A 115 15.035 14.422 6.060 1.00 0.00 C ATOM 1533 OG SER A 115 14.641 13.577 7.134 1.00 0.00 O ATOM 0 H SER A 115 17.024 12.998 6.298 1.00 0.00 H new ATOM 0 HA SER A 115 14.818 12.943 4.513 1.00 0.00 H new ATOM 0 HB2 SER A 115 15.788 15.130 6.408 1.00 0.00 H new ATOM 0 HB3 SER A 115 14.180 15.007 5.721 1.00 0.00 H new ATOM 0 HG SER A 115 14.171 14.107 7.812 1.00 0.00 H new ATOM 1538 N GLU A 116 17.269 14.967 3.766 1.00 0.00 N ATOM 1539 CA GLU A 116 17.789 15.839 2.724 1.00 0.00 C ATOM 1540 C GLU A 116 18.435 15.006 1.622 1.00 0.00 C ATOM 1541 O GLU A 116 19.587 14.561 1.810 1.00 0.00 O ATOM 1542 CB GLU A 116 18.805 16.825 3.306 1.00 0.00 C ATOM 1543 CG GLU A 116 19.355 17.804 2.282 1.00 0.00 C ATOM 1544 CD GLU A 116 20.442 18.692 2.849 1.00 0.00 C ATOM 1545 OE1 GLU A 116 20.113 19.768 3.399 1.00 0.00 O ATOM 1546 OE2 GLU A 116 21.630 18.326 2.740 1.00 0.00 O ATOM 0 H GLU A 116 17.943 14.732 4.495 1.00 0.00 H new ATOM 0 HA GLU A 116 16.961 16.408 2.300 1.00 0.00 H new ATOM 0 HB2 GLU A 116 18.335 17.384 4.115 1.00 0.00 H new ATOM 0 HB3 GLU A 116 19.632 16.266 3.743 1.00 0.00 H new ATOM 0 HG2 GLU A 116 19.751 17.250 1.431 1.00 0.00 H new ATOM 0 HG3 GLU A 116 18.542 18.426 1.907 1.00 0.00 H new TER 1551 GLU A 116