USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=57 USER MOD reduce.3.24.130724 removed 1036 hydrogens (94 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 NoAdj-H: A 78 ASNHD21 : A 78 ASN ND2 : A 136 NAG C1 :(H bumps) USER MOD NoAdj-H: A 111 ASNHD21 : A 111 ASN ND2 : A 132 NAG C1 :(H bumps) USER MOD Set 1.1: A 132 NAG O3 : rot 154:sc= 1.14 USER MOD Set 1.2: A 133 NAG O6 : rot -26:sc= 0.107 USER MOD Set 2.1: A 126 SER OG : rot 180:sc= 0.402 USER MOD Set 2.2: A 128 GLN : amide:sc= 0.291 K(o=0.69,f=-1.4) USER MOD Set 3.1: A 30 THR OG1 : rot 180:sc= -1.02 USER MOD Set 3.2: A 53 MET CE :methyl 137:sc= -7.42! (180deg=-10.6!) USER MOD Set 4.1: A 18 SER OG : rot 68:sc= 2.13 USER MOD Set 4.2: A 80 THR OG1 : rot 180:sc= 1.1 USER MOD Single : A 1 MET CE :methyl 157:sc= -0.0865 (180deg=-0.71) USER MOD Single : A 1AALA N :NH3+ -117:sc= 1.25 (180deg=0.108) USER MOD Single : A 2 HIS :FLIP no HE2:sc= -0.123 F(o=-1.1,f=-0.12) USER MOD Single : A 5 GLN : amide:sc= -6.41! C(o=-6.4!,f=-14!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc=-0.000697 USER MOD Single : A 23 TYR OH : rot 63:sc= 0.57 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -1.62 F(o=-3.5!,f=-1.6) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -167:sc= 1.2 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 138:sc= -2 (180deg=-4.91!) USER MOD Single : A 56 ASN : amide:sc= 0.0182 K(o=0.018,f=-2.6!) USER MOD Single : A 59 THR OG1 : rot 42:sc= 0.618 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -12:sc= 0.484 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 76 GLN : amide:sc= -0.365 X(o=-0.36,f=0) USER MOD Single : A 82 GLN :FLIP amide:sc= -2.53! C(o=-4.2!,f=-2.5!) USER MOD Single : A 87 MET CE :methyl -162:sc=-0.00763 (180deg=-0.458) USER MOD Single : A 89 THR OG1 : rot 170:sc= -0.175 USER MOD Single : A 92 TYR OH : rot -35:sc= 1.31 USER MOD Single : A 95 LYS NZ :NH3+ -135:sc= -0.291 (180deg=-1.18) USER MOD Single : A 99 MET CE :methyl 138:sc= -0.307 (180deg=-1.23) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 176:sc= -2.85 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot -60:sc= 1.05 USER MOD Single : A 114 GLN : amide:sc= -2.16 K(o=-2.2,f=-3.2!) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 CYS SG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 NAG O3 : rot 180:sc= 0 USER MOD Single : A 134 FUL O2 : rot -160:sc= -2.89! USER MOD Single : A 134 FUL O3 : rot -101:sc= 0.118 USER MOD Single : A 134 FUL O4 : rot 150:sc= 0.127 USER MOD Single : A 135 BMA O2 : rot 142:sc= -0.439 USER MOD Single : A 135 BMA O3 : rot 180:sc= 0.0771 USER MOD Single : A 135 BMA O4 : rot 140:sc= -0.0114 USER MOD Single : A 135 BMA O6 : rot 180:sc= 0 USER MOD Single : A 136 NAG O3 : rot 151:sc= 0.0554 USER MOD Single : A 137 NAG O3 : rot -160:sc= -1.38 USER MOD Single : A 137 NAG O6 : rot 32:sc= 0.122 USER MOD Single : A 138 FUC O2 : rot 180:sc= 0 USER MOD Single : A 138 FUC O3 : rot -100:sc= 0.106 USER MOD Single : A 138 FUC O4 : rot 150:sc= 0.0956 USER MOD Single : A 139 BMA O2 : rot 148:sc= 0.0728 USER MOD Single : A 139 BMA O3 : rot 180:sc= 0.0656 USER MOD Single : A 139 BMA O4 : rot 160:sc= 0 USER MOD Single : A 139 BMA O6 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1A -4.317 9.798 3.272 1.00 0.00 N ATOM 2 CA ALA A 1A -3.983 8.426 3.751 1.00 0.00 C ATOM 3 C ALA A 1A -5.253 7.694 4.190 1.00 0.00 C ATOM 4 O ALA A 1A -6.356 8.141 3.938 1.00 0.00 O ATOM 5 CB ALA A 1A -3.045 8.635 4.941 1.00 0.00 C ATOM 0 H1 ALA A 1A -4.067 9.885 2.266 1.00 0.00 H new ATOM 0 H2 ALA A 1A -5.336 9.969 3.392 1.00 0.00 H new ATOM 0 H3 ALA A 1A -3.781 10.498 3.824 1.00 0.00 H new ATOM 0 HA ALA A 1A -3.521 7.820 2.972 1.00 0.00 H new ATOM 0 HB1 ALA A 1A -2.754 7.667 5.349 1.00 0.00 H new ATOM 0 HB2 ALA A 1A -2.155 9.173 4.613 1.00 0.00 H new ATOM 0 HB3 ALA A 1A -3.556 9.214 5.710 1.00 0.00 H new ATOM 13 N MET A 1 -5.104 6.566 4.843 1.00 0.00 N ATOM 14 CA MET A 1 -6.294 5.779 5.308 1.00 0.00 C ATOM 15 C MET A 1 -7.258 5.502 4.144 1.00 0.00 C ATOM 16 O MET A 1 -8.433 5.261 4.350 1.00 0.00 O ATOM 17 CB MET A 1 -6.971 6.654 6.369 1.00 0.00 C ATOM 18 CG MET A 1 -6.029 6.833 7.561 1.00 0.00 C ATOM 19 SD MET A 1 -6.781 7.960 8.761 1.00 0.00 S ATOM 20 CE MET A 1 -8.058 6.830 9.365 1.00 0.00 C ATOM 0 H MET A 1 -4.201 6.152 5.076 1.00 0.00 H new ATOM 0 HA MET A 1 -6.001 4.808 5.706 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.227 7.625 5.945 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.903 6.193 6.695 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.829 5.869 8.028 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.071 7.229 7.225 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.375 7.138 10.361 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.913 6.853 8.689 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.657 5.817 9.409 1.00 0.00 H new ATOM 30 N HIS A 2 -6.769 5.533 2.929 1.00 0.00 N ATOM 31 CA HIS A 2 -7.650 5.270 1.752 1.00 0.00 C ATOM 32 C HIS A 2 -7.017 4.215 0.846 1.00 0.00 C ATOM 33 O HIS A 2 -7.115 4.281 -0.365 1.00 0.00 O ATOM 34 CB HIS A 2 -7.764 6.611 1.026 1.00 0.00 C ATOM 35 CG HIS A 2 -8.556 7.573 1.869 1.00 0.00 C ATOM 36 ND1 HIS A 2 -9.533 7.375 2.813 1.00 0.00 N flip ATOM 37 CD2 HIS A 2 -8.381 8.945 1.786 1.00 0.00 C flip ATOM 38 CE1 HIS A 2 -9.959 8.603 3.310 1.00 0.00 C flip ATOM 39 NE2 HIS A 2 -9.233 9.515 2.658 1.00 0.00 N flip ATOM 0 H HIS A 2 -5.794 5.730 2.702 1.00 0.00 H new ATOM 0 HA HIS A 2 -8.628 4.889 2.046 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -6.771 7.016 0.829 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -8.249 6.473 0.060 1.00 0.00 H new ATOM 0 HD1 HIS A 2 -9.892 6.466 3.106 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -7.688 9.462 1.140 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -10.714 8.780 4.061 1.00 0.00 H new ATOM 47 N VAL A 3 -6.369 3.246 1.430 1.00 0.00 N ATOM 48 CA VAL A 3 -5.715 2.175 0.618 1.00 0.00 C ATOM 49 C VAL A 3 -6.760 1.142 0.178 1.00 0.00 C ATOM 50 O VAL A 3 -7.621 0.754 0.944 1.00 0.00 O ATOM 51 CB VAL A 3 -4.681 1.540 1.556 1.00 0.00 C ATOM 52 CG1 VAL A 3 -3.956 0.400 0.835 1.00 0.00 C ATOM 53 CG2 VAL A 3 -3.659 2.599 1.980 1.00 0.00 C ATOM 0 H VAL A 3 -6.262 3.147 2.440 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.251 2.563 -0.289 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.190 1.146 2.435 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.223 -0.047 1.506 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.679 -0.357 0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.449 0.791 -0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.924 2.149 2.647 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.155 2.993 1.097 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.170 3.411 2.498 1.00 0.00 H new ATOM 63 N ALA A 4 -6.690 0.702 -1.054 1.00 0.00 N ATOM 64 CA ALA A 4 -7.681 -0.303 -1.554 1.00 0.00 C ATOM 65 C ALA A 4 -6.968 -1.566 -2.054 1.00 0.00 C ATOM 66 O ALA A 4 -5.975 -1.492 -2.753 1.00 0.00 O ATOM 67 CB ALA A 4 -8.405 0.397 -2.706 1.00 0.00 C ATOM 0 H ALA A 4 -5.990 0.995 -1.736 1.00 0.00 H new ATOM 0 HA ALA A 4 -8.368 -0.624 -0.771 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -9.151 -0.276 -3.129 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -8.896 1.296 -2.334 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -7.684 0.670 -3.477 1.00 0.00 H new ATOM 73 N GLN A 5 -7.473 -2.724 -1.700 1.00 0.00 N ATOM 74 CA GLN A 5 -6.831 -3.999 -2.152 1.00 0.00 C ATOM 75 C GLN A 5 -7.865 -5.121 -2.338 1.00 0.00 C ATOM 76 O GLN A 5 -8.847 -5.172 -1.624 1.00 0.00 O ATOM 77 CB GLN A 5 -5.887 -4.404 -1.021 1.00 0.00 C ATOM 78 CG GLN A 5 -4.699 -3.452 -0.944 1.00 0.00 C ATOM 79 CD GLN A 5 -3.573 -4.147 -0.183 1.00 0.00 C ATOM 80 OE1 GLN A 5 -3.620 -4.256 1.025 1.00 0.00 O ATOM 81 NE2 GLN A 5 -2.567 -4.647 -0.845 1.00 0.00 N ATOM 0 H GLN A 5 -8.302 -2.841 -1.118 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.329 -3.850 -3.108 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.425 -4.400 -0.073 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.534 -5.422 -1.183 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.367 -3.178 -1.945 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.985 -2.529 -0.439 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.528 -4.555 -1.860 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.819 -5.130 -0.348 1.00 0.00 H new ATOM 90 N PRO A 6 -7.585 -6.027 -3.255 1.00 0.00 N ATOM 91 CA PRO A 6 -8.485 -7.187 -3.457 1.00 0.00 C ATOM 92 C PRO A 6 -8.344 -8.117 -2.256 1.00 0.00 C ATOM 93 O PRO A 6 -7.259 -8.312 -1.747 1.00 0.00 O ATOM 94 CB PRO A 6 -7.965 -7.835 -4.739 1.00 0.00 C ATOM 95 CG PRO A 6 -6.535 -7.412 -4.835 1.00 0.00 C ATOM 96 CD PRO A 6 -6.431 -6.064 -4.171 1.00 0.00 C ATOM 0 HA PRO A 6 -9.541 -6.932 -3.543 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.053 -8.921 -4.696 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.534 -7.503 -5.608 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -5.885 -8.136 -4.344 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -6.218 -7.355 -5.876 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -5.490 -5.956 -3.632 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -6.475 -5.255 -4.901 1.00 0.00 H new ATOM 104 N ALA A 7 -9.423 -8.676 -1.785 1.00 0.00 N ATOM 105 CA ALA A 7 -9.330 -9.575 -0.597 1.00 0.00 C ATOM 106 C ALA A 7 -8.566 -10.840 -0.946 1.00 0.00 C ATOM 107 O ALA A 7 -7.948 -11.439 -0.082 1.00 0.00 O ATOM 108 CB ALA A 7 -10.774 -9.896 -0.208 1.00 0.00 C ATOM 0 H ALA A 7 -10.361 -8.552 -2.167 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.793 -9.105 0.226 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -10.779 -10.555 0.661 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -11.300 -8.972 0.034 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.274 -10.390 -1.041 1.00 0.00 H new ATOM 114 N VAL A 8 -8.581 -11.260 -2.189 1.00 0.00 N ATOM 115 CA VAL A 8 -7.831 -12.483 -2.527 1.00 0.00 C ATOM 116 C VAL A 8 -7.382 -12.463 -3.984 1.00 0.00 C ATOM 117 O VAL A 8 -7.779 -11.620 -4.767 1.00 0.00 O ATOM 118 CB VAL A 8 -8.802 -13.641 -2.235 1.00 0.00 C ATOM 119 CG1 VAL A 8 -9.834 -13.892 -3.363 1.00 0.00 C ATOM 120 CG2 VAL A 8 -8.009 -14.911 -1.979 1.00 0.00 C ATOM 0 H VAL A 8 -9.073 -10.811 -2.961 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.914 -12.581 -1.945 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.375 -13.352 -1.354 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.483 -14.723 -3.084 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.436 -12.995 -3.512 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.310 -14.135 -4.288 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.695 -15.733 -1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.411 -15.150 -2.859 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.351 -14.763 -1.123 1.00 0.00 H new ATOM 130 N VAL A 9 -6.581 -13.412 -4.338 1.00 0.00 N ATOM 131 CA VAL A 9 -6.100 -13.518 -5.737 1.00 0.00 C ATOM 132 C VAL A 9 -5.842 -14.989 -6.081 1.00 0.00 C ATOM 133 O VAL A 9 -5.604 -15.809 -5.214 1.00 0.00 O ATOM 134 CB VAL A 9 -4.825 -12.665 -5.785 1.00 0.00 C ATOM 135 CG1 VAL A 9 -3.935 -13.041 -6.983 1.00 0.00 C ATOM 136 CG2 VAL A 9 -5.220 -11.191 -5.907 1.00 0.00 C ATOM 0 H VAL A 9 -6.230 -14.134 -3.709 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.822 -13.162 -6.472 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.260 -12.845 -4.870 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.042 -12.416 -6.983 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.644 -14.089 -6.906 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.487 -12.885 -7.910 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.321 -10.575 -5.942 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.797 -11.043 -6.820 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.823 -10.904 -5.046 1.00 0.00 H new ATOM 146 N LEU A 10 -5.888 -15.316 -7.343 1.00 0.00 N ATOM 147 CA LEU A 10 -5.646 -16.726 -7.764 1.00 0.00 C ATOM 148 C LEU A 10 -4.330 -16.812 -8.543 1.00 0.00 C ATOM 149 O LEU A 10 -4.077 -16.023 -9.434 1.00 0.00 O ATOM 150 CB LEU A 10 -6.836 -17.087 -8.658 1.00 0.00 C ATOM 151 CG LEU A 10 -8.142 -16.957 -7.863 1.00 0.00 C ATOM 152 CD1 LEU A 10 -9.330 -17.243 -8.783 1.00 0.00 C ATOM 153 CD2 LEU A 10 -8.148 -17.953 -6.699 1.00 0.00 C ATOM 0 H LEU A 10 -6.083 -14.665 -8.104 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.562 -17.408 -6.918 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.862 -16.430 -9.527 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.727 -18.105 -9.031 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.219 -15.944 -7.468 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -10.258 -17.151 -8.218 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.333 -16.528 -9.606 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.247 -18.254 -9.181 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.079 -17.854 -6.140 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.065 -18.968 -7.088 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.305 -17.747 -6.039 1.00 0.00 H new ATOM 165 N ALA A 11 -3.490 -17.756 -8.205 1.00 0.00 N ATOM 166 CA ALA A 11 -2.183 -17.891 -8.915 1.00 0.00 C ATOM 167 C ALA A 11 -2.269 -18.971 -9.998 1.00 0.00 C ATOM 168 O ALA A 11 -2.811 -20.038 -9.783 1.00 0.00 O ATOM 169 CB ALA A 11 -1.184 -18.293 -7.829 1.00 0.00 C ATOM 0 H ALA A 11 -3.653 -18.440 -7.467 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.891 -16.969 -9.418 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.195 -18.413 -8.271 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.148 -17.518 -7.063 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.496 -19.235 -7.378 1.00 0.00 H new ATOM 175 N SER A 12 -1.737 -18.692 -11.161 1.00 0.00 N ATOM 176 CA SER A 12 -1.778 -19.689 -12.275 1.00 0.00 C ATOM 177 C SER A 12 -0.857 -20.872 -11.962 1.00 0.00 C ATOM 178 O SER A 12 -0.126 -20.859 -10.990 1.00 0.00 O ATOM 179 CB SER A 12 -1.282 -18.935 -13.509 1.00 0.00 C ATOM 180 OG SER A 12 0.107 -18.668 -13.370 1.00 0.00 O ATOM 0 H SER A 12 -1.274 -17.812 -11.388 1.00 0.00 H new ATOM 0 HA SER A 12 -2.778 -20.096 -12.424 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.462 -19.526 -14.407 1.00 0.00 H new ATOM 0 HB3 SER A 12 -1.833 -18.002 -13.625 1.00 0.00 H new ATOM 0 HG SER A 12 0.428 -18.186 -14.161 1.00 0.00 H new ATOM 186 N SER A 13 -0.886 -21.892 -12.785 1.00 0.00 N ATOM 187 CA SER A 13 -0.016 -23.086 -12.538 1.00 0.00 C ATOM 188 C SER A 13 1.459 -22.670 -12.545 1.00 0.00 C ATOM 189 O SER A 13 2.278 -23.252 -11.859 1.00 0.00 O ATOM 190 CB SER A 13 -0.305 -24.041 -13.697 1.00 0.00 C ATOM 191 OG SER A 13 0.101 -23.437 -14.918 1.00 0.00 O ATOM 0 H SER A 13 -1.474 -21.950 -13.617 1.00 0.00 H new ATOM 0 HA SER A 13 -0.217 -23.549 -11.572 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.226 -24.981 -13.549 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.368 -24.278 -13.731 1.00 0.00 H new ATOM 0 HG SER A 13 -0.082 -24.048 -15.662 1.00 0.00 H new ATOM 197 N ARG A 14 1.796 -21.660 -13.306 1.00 0.00 N ATOM 198 CA ARG A 14 3.215 -21.187 -13.354 1.00 0.00 C ATOM 199 C ARG A 14 3.665 -20.746 -11.960 1.00 0.00 C ATOM 200 O ARG A 14 4.829 -20.831 -11.616 1.00 0.00 O ATOM 201 CB ARG A 14 3.220 -20.003 -14.321 1.00 0.00 C ATOM 202 CG ARG A 14 4.657 -19.511 -14.514 1.00 0.00 C ATOM 203 CD ARG A 14 5.413 -20.481 -15.424 1.00 0.00 C ATOM 204 NE ARG A 14 6.045 -21.477 -14.501 1.00 0.00 N ATOM 205 CZ ARG A 14 6.947 -22.337 -14.932 1.00 0.00 C ATOM 206 NH1 ARG A 14 7.333 -22.360 -16.187 1.00 0.00 N ATOM 207 NH2 ARG A 14 7.470 -23.186 -14.090 1.00 0.00 N ATOM 0 H ARG A 14 1.148 -21.140 -13.898 1.00 0.00 H new ATOM 0 HA ARG A 14 3.898 -21.971 -13.680 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.794 -20.300 -15.279 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.597 -19.198 -13.931 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.655 -18.513 -14.952 1.00 0.00 H new ATOM 0 HG3 ARG A 14 5.159 -19.435 -13.549 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.737 -20.969 -16.126 1.00 0.00 H new ATOM 0 HD3 ARG A 14 6.166 -19.960 -16.016 1.00 0.00 H new ATOM 0 HE ARG A 14 5.772 -21.490 -13.518 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.933 -21.702 -16.856 1.00 0.00 H new ATOM 0 HH12 ARG A 14 8.033 -23.036 -16.493 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.180 -23.179 -13.112 1.00 0.00 H new ATOM 0 HH22 ARG A 14 8.169 -23.857 -14.410 1.00 0.00 H new ATOM 221 N GLY A 15 2.746 -20.265 -11.164 1.00 0.00 N ATOM 222 CA GLY A 15 3.100 -19.804 -9.790 1.00 0.00 C ATOM 223 C GLY A 15 3.213 -18.278 -9.780 1.00 0.00 C ATOM 224 O GLY A 15 3.908 -17.706 -8.961 1.00 0.00 O ATOM 0 H GLY A 15 1.760 -20.171 -11.409 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.340 -20.128 -9.079 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.043 -20.252 -9.476 1.00 0.00 H new ATOM 228 N ILE A 16 2.526 -17.616 -10.679 1.00 0.00 N ATOM 229 CA ILE A 16 2.576 -16.134 -10.725 1.00 0.00 C ATOM 230 C ILE A 16 1.241 -15.538 -10.271 1.00 0.00 C ATOM 231 O ILE A 16 0.239 -15.611 -10.955 1.00 0.00 O ATOM 232 CB ILE A 16 2.927 -15.769 -12.186 1.00 0.00 C ATOM 233 CG1 ILE A 16 4.436 -15.924 -12.395 1.00 0.00 C ATOM 234 CG2 ILE A 16 2.545 -14.313 -12.507 1.00 0.00 C ATOM 235 CD1 ILE A 16 4.873 -17.379 -12.249 1.00 0.00 C ATOM 0 H ILE A 16 1.930 -18.048 -11.385 1.00 0.00 H new ATOM 0 HA ILE A 16 3.323 -15.723 -10.046 1.00 0.00 H new ATOM 0 HB ILE A 16 2.368 -16.436 -12.843 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.707 -15.559 -13.386 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.970 -15.308 -11.671 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.805 -14.088 -13.541 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.473 -14.178 -12.365 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.087 -13.640 -11.842 1.00 0.00 H new ATOM 0 HD11 ILE A 16 5.949 -17.453 -12.403 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.625 -17.735 -11.249 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.357 -17.990 -12.990 1.00 0.00 H new ATOM 247 N ALA A 17 1.256 -14.922 -9.127 1.00 0.00 N ATOM 248 CA ALA A 17 0.027 -14.269 -8.593 1.00 0.00 C ATOM 249 C ALA A 17 0.223 -12.754 -8.635 1.00 0.00 C ATOM 250 O ALA A 17 1.229 -12.245 -8.176 1.00 0.00 O ATOM 251 CB ALA A 17 -0.098 -14.755 -7.151 1.00 0.00 C ATOM 0 H ALA A 17 2.078 -14.840 -8.528 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.868 -14.510 -9.167 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.983 -14.313 -6.694 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.187 -15.841 -7.140 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.787 -14.458 -6.589 1.00 0.00 H new ATOM 257 N SER A 18 -0.709 -12.031 -9.200 1.00 0.00 N ATOM 258 CA SER A 18 -0.545 -10.550 -9.289 1.00 0.00 C ATOM 259 C SER A 18 -1.752 -9.810 -8.706 1.00 0.00 C ATOM 260 O SER A 18 -2.891 -10.127 -8.986 1.00 0.00 O ATOM 261 CB SER A 18 -0.414 -10.260 -10.782 1.00 0.00 C ATOM 262 OG SER A 18 -0.159 -8.875 -10.970 1.00 0.00 O ATOM 0 H SER A 18 -1.571 -12.399 -9.601 1.00 0.00 H new ATOM 0 HA SER A 18 0.319 -10.211 -8.717 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.395 -10.852 -11.210 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.328 -10.547 -11.302 1.00 0.00 H new ATOM 0 HG SER A 18 0.729 -8.655 -10.619 1.00 0.00 H new ATOM 268 N PHE A 19 -1.489 -8.804 -7.918 1.00 0.00 N ATOM 269 CA PHE A 19 -2.585 -7.989 -7.314 1.00 0.00 C ATOM 270 C PHE A 19 -2.179 -6.517 -7.334 1.00 0.00 C ATOM 271 O PHE A 19 -1.024 -6.192 -7.539 1.00 0.00 O ATOM 272 CB PHE A 19 -2.759 -8.494 -5.879 1.00 0.00 C ATOM 273 CG PHE A 19 -1.452 -8.409 -5.126 1.00 0.00 C ATOM 274 CD1 PHE A 19 -1.116 -7.232 -4.406 1.00 0.00 C ATOM 275 CD2 PHE A 19 -0.563 -9.516 -5.136 1.00 0.00 C ATOM 276 CE1 PHE A 19 0.112 -7.162 -3.694 1.00 0.00 C ATOM 277 CE2 PHE A 19 0.666 -9.447 -4.426 1.00 0.00 C ATOM 278 CZ PHE A 19 1.004 -8.270 -3.705 1.00 0.00 C ATOM 0 H PHE A 19 -0.547 -8.507 -7.662 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.522 -8.082 -7.863 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.519 -7.902 -5.369 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.113 -9.525 -5.890 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.793 -6.391 -4.399 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.821 -10.411 -5.683 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.368 -6.268 -3.145 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.343 -10.289 -4.434 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.938 -8.217 -3.165 1.00 0.00 H new ATOM 288 N VAL A 20 -3.117 -5.627 -7.149 1.00 0.00 N ATOM 289 CA VAL A 20 -2.776 -4.173 -7.187 1.00 0.00 C ATOM 290 C VAL A 20 -3.221 -3.458 -5.904 1.00 0.00 C ATOM 291 O VAL A 20 -4.383 -3.478 -5.544 1.00 0.00 O ATOM 292 CB VAL A 20 -3.532 -3.630 -8.404 1.00 0.00 C ATOM 293 CG1 VAL A 20 -3.308 -2.118 -8.539 1.00 0.00 C ATOM 294 CG2 VAL A 20 -3.029 -4.328 -9.671 1.00 0.00 C ATOM 0 H VAL A 20 -4.099 -5.841 -6.974 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.701 -4.010 -7.258 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.597 -3.823 -8.271 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.851 -1.746 -9.408 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.670 -1.615 -7.642 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.244 -1.917 -8.663 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.567 -3.942 -10.537 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.962 -4.138 -9.792 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.199 -5.401 -9.587 1.00 0.00 H new ATOM 304 N CYS A 21 -2.304 -2.798 -5.235 1.00 0.00 N ATOM 305 CA CYS A 21 -2.670 -2.045 -3.998 1.00 0.00 C ATOM 306 C CYS A 21 -2.796 -0.561 -4.338 1.00 0.00 C ATOM 307 O CYS A 21 -1.846 0.074 -4.753 1.00 0.00 O ATOM 308 CB CYS A 21 -1.527 -2.270 -3.006 1.00 0.00 C ATOM 309 SG CYS A 21 -1.922 -1.427 -1.449 1.00 0.00 S ATOM 0 H CYS A 21 -1.319 -2.750 -5.494 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.619 -2.379 -3.578 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.385 -3.336 -2.831 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -0.592 -1.887 -3.415 1.00 0.00 H new ATOM 314 N GLU A 22 -3.962 -0.007 -4.184 1.00 0.00 N ATOM 315 CA GLU A 22 -4.155 1.430 -4.519 1.00 0.00 C ATOM 316 C GLU A 22 -3.899 2.321 -3.306 1.00 0.00 C ATOM 317 O GLU A 22 -4.299 2.021 -2.198 1.00 0.00 O ATOM 318 CB GLU A 22 -5.595 1.506 -5.004 1.00 0.00 C ATOM 319 CG GLU A 22 -5.953 2.943 -5.390 1.00 0.00 C ATOM 320 CD GLU A 22 -7.371 2.980 -5.968 1.00 0.00 C ATOM 321 OE1 GLU A 22 -8.192 2.192 -5.527 1.00 0.00 O ATOM 322 OE2 GLU A 22 -7.612 3.799 -6.839 1.00 0.00 O ATOM 0 H GLU A 22 -4.793 -0.487 -3.840 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.455 1.788 -5.274 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.732 0.848 -5.862 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.268 1.154 -4.222 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.888 3.592 -4.517 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.240 3.322 -6.123 1.00 0.00 H new ATOM 329 N TYR A 23 -3.216 3.414 -3.525 1.00 0.00 N ATOM 330 CA TYR A 23 -2.895 4.346 -2.423 1.00 0.00 C ATOM 331 C TYR A 23 -3.252 5.776 -2.847 1.00 0.00 C ATOM 332 O TYR A 23 -3.723 6.005 -3.945 1.00 0.00 O ATOM 333 CB TYR A 23 -1.379 4.174 -2.196 1.00 0.00 C ATOM 334 CG TYR A 23 -0.585 4.735 -3.363 1.00 0.00 C ATOM 335 CD1 TYR A 23 -0.444 3.979 -4.557 1.00 0.00 C ATOM 336 CD2 TYR A 23 0.016 6.019 -3.261 1.00 0.00 C ATOM 337 CE1 TYR A 23 0.296 4.509 -5.649 1.00 0.00 C ATOM 338 CE2 TYR A 23 0.755 6.547 -4.351 1.00 0.00 C ATOM 339 CZ TYR A 23 0.895 5.793 -5.546 1.00 0.00 C ATOM 340 OH TYR A 23 1.613 6.308 -6.607 1.00 0.00 O ATOM 0 H TYR A 23 -2.865 3.698 -4.439 1.00 0.00 H new ATOM 0 HA TYR A 23 -3.453 4.147 -1.508 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -1.086 4.680 -1.276 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.145 3.117 -2.067 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -0.899 3.002 -4.635 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.090 6.593 -2.353 1.00 0.00 H new ATOM 0 HE1 TYR A 23 0.403 3.935 -6.558 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.211 7.523 -4.272 1.00 0.00 H new ATOM 0 HH TYR A 23 1.017 6.433 -7.375 1.00 0.00 H new ATOM 350 N ALA A 24 -3.031 6.726 -1.988 1.00 0.00 N ATOM 351 CA ALA A 24 -3.352 8.144 -2.332 1.00 0.00 C ATOM 352 C ALA A 24 -2.251 9.085 -1.833 1.00 0.00 C ATOM 353 O ALA A 24 -1.937 9.117 -0.658 1.00 0.00 O ATOM 354 CB ALA A 24 -4.670 8.435 -1.614 1.00 0.00 C ATOM 0 H ALA A 24 -2.640 6.586 -1.056 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.427 8.296 -3.409 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.976 9.461 -1.817 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.438 7.750 -1.972 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.537 8.301 -0.540 1.00 0.00 H new ATOM 360 N SER A 25 -1.674 9.859 -2.718 1.00 0.00 N ATOM 361 CA SER A 25 -0.601 10.813 -2.302 1.00 0.00 C ATOM 362 C SER A 25 -0.843 12.191 -2.944 1.00 0.00 C ATOM 363 O SER A 25 -1.286 12.266 -4.073 1.00 0.00 O ATOM 364 CB SER A 25 0.697 10.202 -2.829 1.00 0.00 C ATOM 365 OG SER A 25 0.647 10.148 -4.248 1.00 0.00 O ATOM 0 H SER A 25 -1.900 9.871 -3.712 1.00 0.00 H new ATOM 0 HA SER A 25 -0.574 10.961 -1.222 1.00 0.00 H new ATOM 0 HB2 SER A 25 1.551 10.798 -2.506 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.834 9.201 -2.420 1.00 0.00 H new ATOM 0 HG SER A 25 1.478 9.758 -4.590 1.00 0.00 H new ATOM 371 N PRO A 26 -0.545 13.246 -2.212 1.00 0.00 N ATOM 372 CA PRO A 26 -0.746 14.613 -2.756 1.00 0.00 C ATOM 373 C PRO A 26 0.345 14.957 -3.777 1.00 0.00 C ATOM 374 O PRO A 26 1.490 14.577 -3.625 1.00 0.00 O ATOM 375 CB PRO A 26 -0.636 15.511 -1.527 1.00 0.00 C ATOM 376 CG PRO A 26 0.195 14.741 -0.550 1.00 0.00 C ATOM 377 CD PRO A 26 -0.009 13.276 -0.840 1.00 0.00 C ATOM 0 HA PRO A 26 -1.696 14.724 -3.279 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.169 16.464 -1.776 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.620 15.737 -1.115 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.247 15.008 -0.647 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.100 14.974 0.473 1.00 0.00 H new ATOM 0 HD2 PRO A 26 0.927 12.722 -0.767 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.703 12.824 -0.132 1.00 0.00 H new ATOM 385 N GLY A 27 -0.005 15.686 -4.807 1.00 0.00 N ATOM 386 CA GLY A 27 1.003 16.078 -5.839 1.00 0.00 C ATOM 387 C GLY A 27 1.625 14.830 -6.471 1.00 0.00 C ATOM 388 O GLY A 27 1.023 13.773 -6.505 1.00 0.00 O ATOM 0 H GLY A 27 -0.951 16.028 -4.978 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.528 16.686 -6.609 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.781 16.690 -5.384 1.00 0.00 H new ATOM 392 N LYS A 28 2.830 14.952 -6.969 1.00 0.00 N ATOM 393 CA LYS A 28 3.512 13.783 -7.600 1.00 0.00 C ATOM 394 C LYS A 28 4.921 13.626 -7.021 1.00 0.00 C ATOM 395 O LYS A 28 5.548 14.592 -6.630 1.00 0.00 O ATOM 396 CB LYS A 28 3.580 14.123 -9.089 1.00 0.00 C ATOM 397 CG LYS A 28 2.164 14.215 -9.661 1.00 0.00 C ATOM 398 CD LYS A 28 2.237 14.578 -11.145 1.00 0.00 C ATOM 399 CE LYS A 28 0.822 14.769 -11.696 1.00 0.00 C ATOM 400 NZ LYS A 28 1.015 15.211 -13.105 1.00 0.00 N ATOM 0 H LYS A 28 3.372 15.816 -6.965 1.00 0.00 H new ATOM 0 HA LYS A 28 2.985 12.846 -7.420 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.103 15.068 -9.233 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.149 13.360 -9.621 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.646 13.265 -9.533 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.589 14.967 -9.119 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.817 15.491 -11.278 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.750 13.791 -11.698 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.251 13.842 -11.648 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.271 15.513 -11.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.088 15.363 -13.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.556 16.099 -13.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.536 14.480 -13.630 1.00 0.00 H new ATOM 414 N ALA A 29 5.422 12.417 -6.967 1.00 0.00 N ATOM 415 CA ALA A 29 6.793 12.195 -6.416 1.00 0.00 C ATOM 416 C ALA A 29 7.439 10.970 -7.069 1.00 0.00 C ATOM 417 O ALA A 29 6.759 10.075 -7.535 1.00 0.00 O ATOM 418 CB ALA A 29 6.583 11.956 -4.921 1.00 0.00 C ATOM 0 H ALA A 29 4.940 11.574 -7.281 1.00 0.00 H new ATOM 0 HA ALA A 29 7.455 13.040 -6.607 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.546 11.784 -4.441 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.107 12.830 -4.476 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.946 11.083 -4.778 1.00 0.00 H new ATOM 424 N THR A 30 8.748 10.925 -7.100 1.00 0.00 N ATOM 425 CA THR A 30 9.447 9.754 -7.718 1.00 0.00 C ATOM 426 C THR A 30 9.762 8.704 -6.673 1.00 0.00 C ATOM 427 O THR A 30 10.552 7.820 -6.931 1.00 0.00 O ATOM 428 CB THR A 30 10.790 10.272 -8.234 1.00 0.00 C ATOM 429 OG1 THR A 30 11.588 10.686 -7.134 1.00 0.00 O ATOM 430 CG2 THR A 30 10.593 11.442 -9.169 1.00 0.00 C ATOM 0 H THR A 30 9.363 11.647 -6.725 1.00 0.00 H new ATOM 0 HA THR A 30 8.818 9.320 -8.495 1.00 0.00 H new ATOM 0 HB THR A 30 11.284 9.468 -8.779 1.00 0.00 H new ATOM 0 HG1 THR A 30 12.450 11.017 -7.462 1.00 0.00 H new ATOM 0 HG21 THR A 30 11.563 11.793 -9.522 1.00 0.00 H new ATOM 0 HG22 THR A 30 9.988 11.130 -10.020 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.086 12.249 -8.640 1.00 0.00 H new ATOM 438 N GLU A 31 9.240 8.814 -5.478 1.00 0.00 N ATOM 439 CA GLU A 31 9.631 7.818 -4.447 1.00 0.00 C ATOM 440 C GLU A 31 8.436 7.230 -3.689 1.00 0.00 C ATOM 441 O GLU A 31 8.123 7.660 -2.591 1.00 0.00 O ATOM 442 CB GLU A 31 10.505 8.610 -3.467 1.00 0.00 C ATOM 443 CG GLU A 31 11.739 9.200 -4.169 1.00 0.00 C ATOM 444 CD GLU A 31 12.854 8.153 -4.235 1.00 0.00 C ATOM 445 OE1 GLU A 31 12.538 6.976 -4.273 1.00 0.00 O ATOM 446 OE2 GLU A 31 14.008 8.548 -4.245 1.00 0.00 O ATOM 0 H GLU A 31 8.578 9.531 -5.180 1.00 0.00 H new ATOM 0 HA GLU A 31 10.131 6.969 -4.912 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.919 9.414 -3.021 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.824 7.959 -2.653 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.474 9.525 -5.175 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.088 10.081 -3.630 1.00 0.00 H new ATOM 453 N VAL A 32 7.811 6.213 -4.219 1.00 0.00 N ATOM 454 CA VAL A 32 6.697 5.564 -3.464 1.00 0.00 C ATOM 455 C VAL A 32 7.236 4.265 -2.880 1.00 0.00 C ATOM 456 O VAL A 32 7.189 3.216 -3.493 1.00 0.00 O ATOM 457 CB VAL A 32 5.551 5.301 -4.445 1.00 0.00 C ATOM 458 CG1 VAL A 32 4.888 6.629 -4.816 1.00 0.00 C ATOM 459 CG2 VAL A 32 6.078 4.602 -5.702 1.00 0.00 C ATOM 0 H VAL A 32 8.019 5.806 -5.131 1.00 0.00 H new ATOM 0 HA VAL A 32 6.324 6.191 -2.654 1.00 0.00 H new ATOM 0 HB VAL A 32 4.815 4.650 -3.973 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.072 6.445 -5.514 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.496 7.104 -3.916 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.623 7.285 -5.282 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.253 4.421 -6.391 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.822 5.235 -6.185 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.535 3.652 -5.425 1.00 0.00 H new ATOM 469 N ARG A 33 7.778 4.350 -1.701 1.00 0.00 N ATOM 470 CA ARG A 33 8.374 3.145 -1.037 1.00 0.00 C ATOM 471 C ARG A 33 7.357 2.008 -0.986 1.00 0.00 C ATOM 472 O ARG A 33 6.463 2.010 -0.166 1.00 0.00 O ATOM 473 CB ARG A 33 8.724 3.605 0.380 1.00 0.00 C ATOM 474 CG ARG A 33 9.533 2.518 1.092 1.00 0.00 C ATOM 475 CD ARG A 33 11.026 2.755 0.857 1.00 0.00 C ATOM 476 NE ARG A 33 11.717 1.736 1.706 1.00 0.00 N ATOM 477 CZ ARG A 33 11.841 0.482 1.317 1.00 0.00 C ATOM 478 NH1 ARG A 33 11.342 0.061 0.178 1.00 0.00 N ATOM 479 NH2 ARG A 33 12.469 -0.363 2.088 1.00 0.00 N ATOM 0 H ARG A 33 7.838 5.210 -1.157 1.00 0.00 H new ATOM 0 HA ARG A 33 9.245 2.770 -1.575 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.297 4.531 0.340 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.813 3.818 0.939 1.00 0.00 H new ATOM 0 HG2 ARG A 33 9.316 2.529 2.160 1.00 0.00 H new ATOM 0 HG3 ARG A 33 9.247 1.534 0.719 1.00 0.00 H new ATOM 0 HD2 ARG A 33 11.284 2.633 -0.195 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.315 3.767 1.141 1.00 0.00 H new ATOM 0 HE ARG A 33 12.102 2.018 2.608 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.843 0.710 -0.431 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.453 -0.915 -0.098 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.856 -0.050 2.978 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.573 -1.336 1.800 1.00 0.00 H new ATOM 493 N VAL A 34 7.491 1.040 -1.861 1.00 0.00 N ATOM 494 CA VAL A 34 6.529 -0.096 -1.868 1.00 0.00 C ATOM 495 C VAL A 34 7.195 -1.388 -1.390 1.00 0.00 C ATOM 496 O VAL A 34 8.257 -1.768 -1.843 1.00 0.00 O ATOM 497 CB VAL A 34 6.037 -0.232 -3.314 1.00 0.00 C ATOM 498 CG1 VAL A 34 5.266 1.033 -3.713 1.00 0.00 C ATOM 499 CG2 VAL A 34 7.218 -0.435 -4.272 1.00 0.00 C ATOM 0 H VAL A 34 8.225 0.992 -2.568 1.00 0.00 H new ATOM 0 HA VAL A 34 5.700 0.089 -1.186 1.00 0.00 H new ATOM 0 HB VAL A 34 5.382 -1.101 -3.379 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.916 0.937 -4.741 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.411 1.163 -3.049 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.922 1.900 -3.633 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.847 -0.529 -5.292 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.890 0.421 -4.208 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.758 -1.341 -3.997 1.00 0.00 H new ATOM 509 N THR A 35 6.553 -2.066 -0.482 1.00 0.00 N ATOM 510 CA THR A 35 7.099 -3.353 0.040 1.00 0.00 C ATOM 511 C THR A 35 5.971 -4.386 0.113 1.00 0.00 C ATOM 512 O THR A 35 4.820 -4.052 0.352 1.00 0.00 O ATOM 513 CB THR A 35 7.666 -3.048 1.442 1.00 0.00 C ATOM 514 OG1 THR A 35 8.710 -2.093 1.328 1.00 0.00 O ATOM 515 CG2 THR A 35 8.213 -4.334 2.079 1.00 0.00 C ATOM 0 H THR A 35 5.663 -1.782 -0.073 1.00 0.00 H new ATOM 0 HA THR A 35 7.878 -3.762 -0.603 1.00 0.00 H new ATOM 0 HB THR A 35 6.871 -2.650 2.073 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.071 -1.896 2.217 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.611 -4.109 3.068 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.410 -5.066 2.169 1.00 0.00 H new ATOM 0 HG23 THR A 35 9.007 -4.741 1.453 1.00 0.00 H new ATOM 523 N VAL A 36 6.302 -5.633 -0.083 1.00 0.00 N ATOM 524 CA VAL A 36 5.281 -6.716 -0.014 1.00 0.00 C ATOM 525 C VAL A 36 5.651 -7.629 1.161 1.00 0.00 C ATOM 526 O VAL A 36 6.809 -7.968 1.316 1.00 0.00 O ATOM 527 CB VAL A 36 5.391 -7.457 -1.354 1.00 0.00 C ATOM 528 CG1 VAL A 36 4.448 -8.664 -1.358 1.00 0.00 C ATOM 529 CG2 VAL A 36 5.007 -6.510 -2.502 1.00 0.00 C ATOM 0 H VAL A 36 7.249 -5.951 -0.291 1.00 0.00 H new ATOM 0 HA VAL A 36 4.263 -6.358 0.142 1.00 0.00 H new ATOM 0 HB VAL A 36 6.418 -7.797 -1.489 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.530 -9.186 -2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.720 -9.341 -0.548 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.422 -8.324 -1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.086 -7.039 -3.452 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.982 -6.166 -2.362 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.680 -5.653 -2.507 1.00 0.00 H new ATOM 539 N LEU A 37 4.715 -8.008 2.014 1.00 0.00 N ATOM 540 CA LEU A 37 5.108 -8.873 3.170 1.00 0.00 C ATOM 541 C LEU A 37 4.344 -10.187 3.159 1.00 0.00 C ATOM 542 O LEU A 37 3.401 -10.366 2.419 1.00 0.00 O ATOM 543 CB LEU A 37 4.723 -8.081 4.419 1.00 0.00 C ATOM 544 CG LEU A 37 5.459 -6.744 4.448 1.00 0.00 C ATOM 545 CD1 LEU A 37 4.652 -5.744 5.281 1.00 0.00 C ATOM 546 CD2 LEU A 37 6.842 -6.942 5.076 1.00 0.00 C ATOM 0 H LEU A 37 3.727 -7.761 1.958 1.00 0.00 H new ATOM 0 HA LEU A 37 6.170 -9.115 3.131 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.646 -7.911 4.432 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.966 -8.657 5.312 1.00 0.00 H new ATOM 0 HG LEU A 37 5.574 -6.362 3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.173 -4.787 5.305 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.667 -5.610 4.834 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.541 -6.123 6.297 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.371 -5.989 5.099 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.729 -7.319 6.093 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.411 -7.659 4.484 1.00 0.00 H new ATOM 558 N ARG A 38 4.746 -11.098 4.002 1.00 0.00 N ATOM 559 CA ARG A 38 4.045 -12.409 4.085 1.00 0.00 C ATOM 560 C ARG A 38 3.566 -12.635 5.520 1.00 0.00 C ATOM 561 O ARG A 38 4.355 -12.668 6.446 1.00 0.00 O ATOM 562 CB ARG A 38 5.093 -13.450 3.693 1.00 0.00 C ATOM 563 CG ARG A 38 4.450 -14.837 3.672 1.00 0.00 C ATOM 564 CD ARG A 38 5.518 -15.892 3.375 1.00 0.00 C ATOM 565 NE ARG A 38 4.809 -17.205 3.477 1.00 0.00 N ATOM 566 CZ ARG A 38 5.472 -18.333 3.640 1.00 0.00 C ATOM 567 NH1 ARG A 38 6.783 -18.356 3.715 1.00 0.00 N ATOM 568 NH2 ARG A 38 4.810 -19.453 3.729 1.00 0.00 N ATOM 0 H ARG A 38 5.534 -10.989 4.640 1.00 0.00 H new ATOM 0 HA ARG A 38 3.171 -12.462 3.436 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.506 -13.214 2.712 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.922 -13.432 4.401 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.976 -15.044 4.632 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.667 -14.875 2.915 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.946 -15.751 2.382 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.340 -15.832 4.088 1.00 0.00 H new ATOM 0 HE ARG A 38 3.791 -17.228 3.419 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.313 -17.487 3.647 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.271 -19.243 3.841 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.792 -19.449 3.672 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.311 -20.333 3.855 1.00 0.00 H new ATOM 582 N GLN A 39 2.280 -12.782 5.711 1.00 0.00 N ATOM 583 CA GLN A 39 1.743 -12.997 7.085 1.00 0.00 C ATOM 584 C GLN A 39 1.524 -14.485 7.337 1.00 0.00 C ATOM 585 O GLN A 39 1.223 -15.244 6.434 1.00 0.00 O ATOM 586 CB GLN A 39 0.420 -12.244 7.099 1.00 0.00 C ATOM 587 CG GLN A 39 -0.193 -12.251 8.501 1.00 0.00 C ATOM 588 CD GLN A 39 -1.464 -11.401 8.483 1.00 0.00 C ATOM 589 OE1 GLN A 39 -1.420 -10.199 7.972 1.00 0.00 O flip ATOM 590 NE2 GLN A 39 -2.505 -11.830 8.939 1.00 0.00 N flip ATOM 0 H GLN A 39 1.578 -12.762 4.971 1.00 0.00 H new ATOM 0 HA GLN A 39 2.422 -12.646 7.862 1.00 0.00 H new ATOM 0 HB2 GLN A 39 0.577 -11.217 6.771 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.272 -12.702 6.392 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -0.425 -13.271 8.807 1.00 0.00 H new ATOM 0 HG3 GLN A 39 0.517 -11.854 9.226 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.539 -12.768 9.338 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -3.345 -11.252 8.923 1.00 0.00 H new ATOM 599 N ALA A 40 1.677 -14.900 8.560 1.00 0.00 N ATOM 600 CA ALA A 40 1.485 -16.339 8.903 1.00 0.00 C ATOM 601 C ALA A 40 0.518 -16.473 10.079 1.00 0.00 C ATOM 602 O ALA A 40 -0.050 -15.501 10.540 1.00 0.00 O ATOM 603 CB ALA A 40 2.874 -16.854 9.283 1.00 0.00 C ATOM 0 H ALA A 40 1.929 -14.301 9.346 1.00 0.00 H new ATOM 0 HA ALA A 40 1.060 -16.907 8.075 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.811 -17.909 9.548 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.551 -16.732 8.437 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.252 -16.288 10.135 1.00 0.00 H new ATOM 609 N ASP A 41 0.317 -17.672 10.552 1.00 0.00 N ATOM 610 CA ASP A 41 -0.624 -17.888 11.692 1.00 0.00 C ATOM 611 C ASP A 41 -0.186 -17.105 12.934 1.00 0.00 C ATOM 612 O ASP A 41 -1.010 -16.560 13.646 1.00 0.00 O ATOM 613 CB ASP A 41 -0.588 -19.387 11.966 1.00 0.00 C ATOM 614 CG ASP A 41 -1.304 -20.143 10.842 1.00 0.00 C ATOM 615 OD1 ASP A 41 -2.200 -19.570 10.241 1.00 0.00 O ATOM 616 OD2 ASP A 41 -0.948 -21.285 10.605 1.00 0.00 O ATOM 0 H ASP A 41 0.765 -18.517 10.197 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.627 -17.538 11.449 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.445 -19.726 12.043 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.066 -19.602 12.922 1.00 0.00 H new ATOM 621 N SER A 42 1.095 -17.063 13.221 1.00 0.00 N ATOM 622 CA SER A 42 1.557 -16.328 14.443 1.00 0.00 C ATOM 623 C SER A 42 2.650 -15.293 14.131 1.00 0.00 C ATOM 624 O SER A 42 2.864 -14.376 14.902 1.00 0.00 O ATOM 625 CB SER A 42 2.111 -17.418 15.358 1.00 0.00 C ATOM 626 OG SER A 42 1.060 -18.299 15.730 1.00 0.00 O ATOM 0 H SER A 42 1.833 -17.500 12.669 1.00 0.00 H new ATOM 0 HA SER A 42 0.740 -15.762 14.890 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.900 -17.970 14.848 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.557 -16.971 16.246 1.00 0.00 H new ATOM 0 HG SER A 42 1.413 -19.001 16.316 1.00 0.00 H new ATOM 632 N GLN A 43 3.354 -15.432 13.032 1.00 0.00 N ATOM 633 CA GLN A 43 4.442 -14.449 12.718 1.00 0.00 C ATOM 634 C GLN A 43 4.353 -13.945 11.275 1.00 0.00 C ATOM 635 O GLN A 43 3.689 -14.525 10.440 1.00 0.00 O ATOM 636 CB GLN A 43 5.745 -15.220 12.931 1.00 0.00 C ATOM 637 CG GLN A 43 5.892 -15.567 14.413 1.00 0.00 C ATOM 638 CD GLN A 43 7.144 -16.424 14.617 1.00 0.00 C ATOM 639 OE1 GLN A 43 7.596 -17.088 13.706 1.00 0.00 O ATOM 640 NE2 GLN A 43 7.728 -16.435 15.785 1.00 0.00 N ATOM 0 H GLN A 43 3.225 -16.175 12.345 1.00 0.00 H new ATOM 0 HA GLN A 43 4.369 -13.564 13.350 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.744 -16.130 12.331 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.593 -14.621 12.600 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.963 -14.655 15.005 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.010 -16.105 14.760 1.00 0.00 H new ATOM 0 HE21 GLN A 43 7.349 -15.877 16.550 1.00 0.00 H new ATOM 0 HE22 GLN A 43 8.564 -17.001 15.932 1.00 0.00 H new ATOM 649 N VAL A 44 5.032 -12.864 10.986 1.00 0.00 N ATOM 650 CA VAL A 44 5.018 -12.299 9.602 1.00 0.00 C ATOM 651 C VAL A 44 6.449 -11.932 9.189 1.00 0.00 C ATOM 652 O VAL A 44 7.237 -11.484 10.001 1.00 0.00 O ATOM 653 CB VAL A 44 4.143 -11.044 9.683 1.00 0.00 C ATOM 654 CG1 VAL A 44 4.035 -10.398 8.297 1.00 0.00 C ATOM 655 CG2 VAL A 44 2.743 -11.420 10.177 1.00 0.00 C ATOM 0 H VAL A 44 5.600 -12.344 11.655 1.00 0.00 H new ATOM 0 HA VAL A 44 4.633 -13.005 8.866 1.00 0.00 H new ATOM 0 HB VAL A 44 4.597 -10.338 10.379 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.412 -9.506 8.359 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.029 -10.122 7.946 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.587 -11.106 7.600 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.124 -10.524 10.233 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.291 -12.130 9.484 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.816 -11.873 11.166 1.00 0.00 H new ATOM 665 N THR A 45 6.792 -12.122 7.939 1.00 0.00 N ATOM 666 CA THR A 45 8.177 -11.788 7.480 1.00 0.00 C ATOM 667 C THR A 45 8.131 -10.922 6.217 1.00 0.00 C ATOM 668 O THR A 45 7.139 -10.889 5.514 1.00 0.00 O ATOM 669 CB THR A 45 8.836 -13.138 7.179 1.00 0.00 C ATOM 670 OG1 THR A 45 8.106 -13.800 6.155 1.00 0.00 O ATOM 671 CG2 THR A 45 8.850 -14.002 8.441 1.00 0.00 C ATOM 0 H THR A 45 6.174 -12.493 7.217 1.00 0.00 H new ATOM 0 HA THR A 45 8.729 -11.222 8.230 1.00 0.00 H new ATOM 0 HB THR A 45 9.862 -12.974 6.849 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.527 -14.663 5.959 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.320 -14.961 8.221 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.413 -13.494 9.224 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.827 -14.168 8.779 1.00 0.00 H new ATOM 679 N GLU A 46 9.204 -10.227 5.924 1.00 0.00 N ATOM 680 CA GLU A 46 9.232 -9.363 4.705 1.00 0.00 C ATOM 681 C GLU A 46 9.508 -10.216 3.471 1.00 0.00 C ATOM 682 O GLU A 46 10.042 -11.305 3.561 1.00 0.00 O ATOM 683 CB GLU A 46 10.365 -8.362 4.936 1.00 0.00 C ATOM 684 CG GLU A 46 10.327 -7.269 3.862 1.00 0.00 C ATOM 685 CD GLU A 46 11.642 -6.473 3.867 1.00 0.00 C ATOM 686 OE1 GLU A 46 12.511 -6.780 4.671 1.00 0.00 O ATOM 687 OE2 GLU A 46 11.758 -5.565 3.062 1.00 0.00 O ATOM 0 H GLU A 46 10.061 -10.222 6.477 1.00 0.00 H new ATOM 0 HA GLU A 46 8.282 -8.855 4.539 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.270 -7.914 5.925 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.326 -8.876 4.910 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.169 -7.718 2.881 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.487 -6.599 4.045 1.00 0.00 H new ATOM 694 N VAL A 47 9.125 -9.732 2.323 1.00 0.00 N ATOM 695 CA VAL A 47 9.336 -10.509 1.067 1.00 0.00 C ATOM 696 C VAL A 47 10.123 -9.672 0.045 1.00 0.00 C ATOM 697 O VAL A 47 11.232 -10.010 -0.314 1.00 0.00 O ATOM 698 CB VAL A 47 7.917 -10.816 0.579 1.00 0.00 C ATOM 699 CG1 VAL A 47 7.968 -11.550 -0.754 1.00 0.00 C ATOM 700 CG2 VAL A 47 7.205 -11.696 1.611 1.00 0.00 C ATOM 0 H VAL A 47 8.672 -8.827 2.199 1.00 0.00 H new ATOM 0 HA VAL A 47 9.920 -11.417 1.215 1.00 0.00 H new ATOM 0 HB VAL A 47 7.375 -9.879 0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.954 -11.763 -1.091 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.473 -10.928 -1.493 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.514 -12.486 -0.634 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.195 -11.916 1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.756 -12.628 1.737 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.157 -11.171 2.565 1.00 0.00 H new ATOM 710 N CYS A 48 9.565 -8.584 -0.419 1.00 0.00 N ATOM 711 CA CYS A 48 10.295 -7.725 -1.406 1.00 0.00 C ATOM 712 C CYS A 48 10.059 -6.252 -1.085 1.00 0.00 C ATOM 713 O CYS A 48 8.974 -5.866 -0.692 1.00 0.00 O ATOM 714 CB CYS A 48 9.724 -8.101 -2.774 1.00 0.00 C ATOM 715 SG CYS A 48 10.321 -9.749 -3.232 1.00 0.00 S ATOM 0 H CYS A 48 8.636 -8.251 -0.159 1.00 0.00 H new ATOM 0 HA CYS A 48 11.374 -7.880 -1.379 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.635 -8.091 -2.743 1.00 0.00 H new ATOM 0 HB3 CYS A 48 10.028 -7.369 -3.523 1.00 0.00 H new ATOM 720 N ALA A 49 11.071 -5.429 -1.225 1.00 0.00 N ATOM 721 CA ALA A 49 10.898 -3.982 -0.895 1.00 0.00 C ATOM 722 C ALA A 49 11.830 -3.095 -1.729 1.00 0.00 C ATOM 723 O ALA A 49 13.005 -3.368 -1.879 1.00 0.00 O ATOM 724 CB ALA A 49 11.252 -3.886 0.591 1.00 0.00 C ATOM 0 H ALA A 49 12.000 -5.695 -1.551 1.00 0.00 H new ATOM 0 HA ALA A 49 9.888 -3.636 -1.113 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.152 -2.852 0.923 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.577 -4.519 1.167 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.279 -4.218 0.743 1.00 0.00 H new ATOM 730 N ALA A 50 11.300 -2.021 -2.253 1.00 0.00 N ATOM 731 CA ALA A 50 12.117 -1.072 -3.066 1.00 0.00 C ATOM 732 C ALA A 50 11.276 0.171 -3.367 1.00 0.00 C ATOM 733 O ALA A 50 10.066 0.083 -3.472 1.00 0.00 O ATOM 734 CB ALA A 50 12.458 -1.825 -4.355 1.00 0.00 C ATOM 0 H ALA A 50 10.320 -1.757 -2.150 1.00 0.00 H new ATOM 0 HA ALA A 50 13.022 -0.745 -2.554 1.00 0.00 H new ATOM 0 HB1 ALA A 50 13.059 -1.186 -5.002 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.020 -2.726 -4.112 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.538 -2.100 -4.870 1.00 0.00 H new ATOM 740 N THR A 51 11.889 1.324 -3.506 1.00 0.00 N ATOM 741 CA THR A 51 11.084 2.549 -3.798 1.00 0.00 C ATOM 742 C THR A 51 10.770 2.594 -5.285 1.00 0.00 C ATOM 743 O THR A 51 11.653 2.784 -6.100 1.00 0.00 O ATOM 744 CB THR A 51 11.961 3.745 -3.407 1.00 0.00 C ATOM 745 OG1 THR A 51 12.660 3.448 -2.206 1.00 0.00 O ATOM 746 CG2 THR A 51 11.063 4.957 -3.172 1.00 0.00 C ATOM 0 H THR A 51 12.896 1.467 -3.431 1.00 0.00 H new ATOM 0 HA THR A 51 10.143 2.560 -3.248 1.00 0.00 H new ATOM 0 HB THR A 51 12.676 3.953 -4.203 1.00 0.00 H new ATOM 0 HG1 THR A 51 13.050 4.270 -1.843 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.675 5.815 -2.893 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.513 5.185 -4.085 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.359 4.738 -2.370 1.00 0.00 H new ATOM 754 N TYR A 52 9.525 2.416 -5.652 1.00 0.00 N ATOM 755 CA TYR A 52 9.179 2.444 -7.093 1.00 0.00 C ATOM 756 C TYR A 52 9.198 3.873 -7.597 1.00 0.00 C ATOM 757 O TYR A 52 8.364 4.682 -7.225 1.00 0.00 O ATOM 758 CB TYR A 52 7.765 1.882 -7.201 1.00 0.00 C ATOM 759 CG TYR A 52 7.451 1.638 -8.656 1.00 0.00 C ATOM 760 CD1 TYR A 52 7.120 2.723 -9.519 1.00 0.00 C ATOM 761 CD2 TYR A 52 7.505 0.316 -9.165 1.00 0.00 C ATOM 762 CE1 TYR A 52 6.842 2.475 -10.891 1.00 0.00 C ATOM 763 CE2 TYR A 52 7.227 0.069 -10.536 1.00 0.00 C ATOM 764 CZ TYR A 52 6.895 1.148 -11.400 1.00 0.00 C ATOM 765 OH TYR A 52 6.625 0.908 -12.731 1.00 0.00 O ATOM 0 H TYR A 52 8.744 2.254 -5.016 1.00 0.00 H new ATOM 0 HA TYR A 52 9.888 1.865 -7.685 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.683 0.953 -6.636 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.047 2.581 -6.772 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.081 3.730 -9.132 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.758 -0.504 -8.510 1.00 0.00 H new ATOM 0 HE1 TYR A 52 6.590 3.295 -11.547 1.00 0.00 H new ATOM 0 HE2 TYR A 52 7.268 -0.939 -10.922 1.00 0.00 H new ATOM 0 HH TYR A 52 6.706 -0.051 -12.913 1.00 0.00 H new ATOM 775 N MET A 53 10.124 4.186 -8.458 1.00 0.00 N ATOM 776 CA MET A 53 10.168 5.558 -9.011 1.00 0.00 C ATOM 777 C MET A 53 9.163 5.598 -10.153 1.00 0.00 C ATOM 778 O MET A 53 8.763 4.563 -10.653 1.00 0.00 O ATOM 779 CB MET A 53 11.582 5.771 -9.548 1.00 0.00 C ATOM 780 CG MET A 53 12.617 5.495 -8.454 1.00 0.00 C ATOM 781 SD MET A 53 13.907 6.761 -8.516 1.00 0.00 S ATOM 782 CE MET A 53 13.253 7.779 -7.176 1.00 0.00 C ATOM 0 H MET A 53 10.847 3.552 -8.799 1.00 0.00 H new ATOM 0 HA MET A 53 9.930 6.327 -8.276 1.00 0.00 H new ATOM 0 HB2 MET A 53 11.758 5.112 -10.398 1.00 0.00 H new ATOM 0 HB3 MET A 53 11.690 6.794 -9.910 1.00 0.00 H new ATOM 0 HG2 MET A 53 12.137 5.496 -7.475 1.00 0.00 H new ATOM 0 HG3 MET A 53 13.055 4.507 -8.593 1.00 0.00 H new ATOM 0 HE1 MET A 53 14.071 8.102 -6.532 1.00 0.00 H new ATOM 0 HE2 MET A 53 12.754 8.653 -7.594 1.00 0.00 H new ATOM 0 HE3 MET A 53 12.539 7.198 -6.592 1.00 0.00 H new ATOM 792 N MET A 54 8.740 6.752 -10.569 1.00 0.00 N ATOM 793 CA MET A 54 7.740 6.805 -11.673 1.00 0.00 C ATOM 794 C MET A 54 8.286 6.171 -12.965 1.00 0.00 C ATOM 795 O MET A 54 7.515 5.750 -13.809 1.00 0.00 O ATOM 796 CB MET A 54 7.436 8.289 -11.881 1.00 0.00 C ATOM 797 CG MET A 54 6.779 8.851 -10.620 1.00 0.00 C ATOM 798 SD MET A 54 5.267 7.921 -10.262 1.00 0.00 S ATOM 799 CE MET A 54 5.987 6.767 -9.067 1.00 0.00 C ATOM 0 H MET A 54 9.037 7.655 -10.200 1.00 0.00 H new ATOM 0 HA MET A 54 6.844 6.238 -11.419 1.00 0.00 H new ATOM 0 HB2 MET A 54 8.355 8.833 -12.100 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.776 8.420 -12.738 1.00 0.00 H new ATOM 0 HG2 MET A 54 7.468 8.785 -9.778 1.00 0.00 H new ATOM 0 HG3 MET A 54 6.545 9.907 -10.758 1.00 0.00 H new ATOM 0 HE1 MET A 54 5.303 6.638 -8.228 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.157 5.804 -9.548 1.00 0.00 H new ATOM 0 HE3 MET A 54 6.935 7.164 -8.704 1.00 0.00 H new ATOM 809 N GLY A 55 9.592 6.108 -13.150 1.00 0.00 N ATOM 810 CA GLY A 55 10.120 5.508 -14.421 1.00 0.00 C ATOM 811 C GLY A 55 11.508 4.866 -14.242 1.00 0.00 C ATOM 812 O GLY A 55 12.354 4.991 -15.109 1.00 0.00 O ATOM 0 H GLY A 55 10.297 6.438 -12.491 1.00 0.00 H new ATOM 0 HA2 GLY A 55 9.419 4.755 -14.781 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.178 6.282 -15.187 1.00 0.00 H new ATOM 816 N ASN A 56 11.750 4.160 -13.161 1.00 0.00 N ATOM 817 CA ASN A 56 13.088 3.497 -12.988 1.00 0.00 C ATOM 818 C ASN A 56 12.907 2.061 -12.482 1.00 0.00 C ATOM 819 O ASN A 56 11.875 1.712 -11.941 1.00 0.00 O ATOM 820 CB ASN A 56 13.854 4.334 -11.963 1.00 0.00 C ATOM 821 CG ASN A 56 14.015 5.764 -12.483 1.00 0.00 C ATOM 822 OD1 ASN A 56 14.131 5.980 -13.673 1.00 0.00 O ATOM 823 ND2 ASN A 56 14.029 6.757 -11.636 1.00 0.00 N ATOM 0 H ASN A 56 11.089 4.014 -12.398 1.00 0.00 H new ATOM 0 HA ASN A 56 13.629 3.442 -13.933 1.00 0.00 H new ATOM 0 HB2 ASN A 56 13.321 4.340 -11.012 1.00 0.00 H new ATOM 0 HB3 ASN A 56 14.833 3.892 -11.776 1.00 0.00 H new ATOM 0 HD21 ASN A 56 14.137 7.714 -11.973 1.00 0.00 H new ATOM 0 HD22 ASN A 56 13.932 6.576 -10.637 1.00 0.00 H new ATOM 830 N GLU A 57 13.905 1.228 -12.656 1.00 0.00 N ATOM 831 CA GLU A 57 13.801 -0.191 -12.189 1.00 0.00 C ATOM 832 C GLU A 57 14.284 -0.310 -10.739 1.00 0.00 C ATOM 833 O GLU A 57 15.296 0.254 -10.367 1.00 0.00 O ATOM 834 CB GLU A 57 14.715 -0.983 -13.125 1.00 0.00 C ATOM 835 CG GLU A 57 14.612 -2.477 -12.801 1.00 0.00 C ATOM 836 CD GLU A 57 13.193 -2.976 -13.095 1.00 0.00 C ATOM 837 OE1 GLU A 57 12.565 -2.431 -13.989 1.00 0.00 O ATOM 838 OE2 GLU A 57 12.759 -3.894 -12.420 1.00 0.00 O ATOM 0 H GLU A 57 14.789 1.470 -13.103 1.00 0.00 H new ATOM 0 HA GLU A 57 12.775 -0.559 -12.212 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.432 -0.805 -14.162 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.746 -0.647 -13.014 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.335 -3.038 -13.394 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.858 -2.649 -11.753 1.00 0.00 H new ATOM 845 N LEU A 58 13.560 -1.031 -9.917 1.00 0.00 N ATOM 846 CA LEU A 58 13.957 -1.181 -8.492 1.00 0.00 C ATOM 847 C LEU A 58 14.593 -2.556 -8.265 1.00 0.00 C ATOM 848 O LEU A 58 14.360 -3.485 -9.015 1.00 0.00 O ATOM 849 CB LEU A 58 12.644 -1.058 -7.705 1.00 0.00 C ATOM 850 CG LEU A 58 11.900 0.266 -8.010 1.00 0.00 C ATOM 851 CD1 LEU A 58 12.874 1.449 -8.140 1.00 0.00 C ATOM 852 CD2 LEU A 58 11.092 0.123 -9.305 1.00 0.00 C ATOM 0 H LEU A 58 12.706 -1.523 -10.179 1.00 0.00 H new ATOM 0 HA LEU A 58 14.691 -0.437 -8.183 1.00 0.00 H new ATOM 0 HB2 LEU A 58 11.997 -1.901 -7.948 1.00 0.00 H new ATOM 0 HB3 LEU A 58 12.856 -1.116 -6.637 1.00 0.00 H new ATOM 0 HG LEU A 58 11.231 0.470 -7.174 1.00 0.00 H new ATOM 0 HD11 LEU A 58 12.314 2.359 -8.354 1.00 0.00 H new ATOM 0 HD12 LEU A 58 13.424 1.572 -7.207 1.00 0.00 H new ATOM 0 HD13 LEU A 58 13.575 1.255 -8.952 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.571 1.057 -9.514 1.00 0.00 H new ATOM 0 HD22 LEU A 58 11.765 -0.110 -10.130 1.00 0.00 H new ATOM 0 HD23 LEU A 58 10.364 -0.681 -9.193 1.00 0.00 H new ATOM 864 N THR A 59 15.410 -2.688 -7.247 1.00 0.00 N ATOM 865 CA THR A 59 16.080 -3.981 -6.979 1.00 0.00 C ATOM 866 C THR A 59 15.405 -4.743 -5.828 1.00 0.00 C ATOM 867 O THR A 59 15.304 -4.256 -4.718 1.00 0.00 O ATOM 868 CB THR A 59 17.491 -3.568 -6.584 1.00 0.00 C ATOM 869 OG1 THR A 59 17.428 -2.661 -5.493 1.00 0.00 O ATOM 870 CG2 THR A 59 18.191 -2.903 -7.771 1.00 0.00 C ATOM 0 H THR A 59 15.638 -1.942 -6.589 1.00 0.00 H new ATOM 0 HA THR A 59 16.044 -4.653 -7.836 1.00 0.00 H new ATOM 0 HB THR A 59 18.057 -4.452 -6.290 1.00 0.00 H new ATOM 0 HG1 THR A 59 16.758 -2.970 -4.849 1.00 0.00 H new ATOM 0 HG21 THR A 59 19.200 -2.610 -7.481 1.00 0.00 H new ATOM 0 HG22 THR A 59 18.242 -3.605 -8.603 1.00 0.00 H new ATOM 0 HG23 THR A 59 17.630 -2.019 -8.076 1.00 0.00 H new ATOM 878 N PHE A 60 14.974 -5.950 -6.090 1.00 0.00 N ATOM 879 CA PHE A 60 14.334 -6.790 -5.029 1.00 0.00 C ATOM 880 C PHE A 60 15.228 -8.004 -4.740 1.00 0.00 C ATOM 881 O PHE A 60 14.751 -9.072 -4.411 1.00 0.00 O ATOM 882 CB PHE A 60 13.001 -7.254 -5.623 1.00 0.00 C ATOM 883 CG PHE A 60 12.010 -6.113 -5.666 1.00 0.00 C ATOM 884 CD1 PHE A 60 11.606 -5.476 -4.462 1.00 0.00 C ATOM 885 CD2 PHE A 60 11.464 -5.691 -6.909 1.00 0.00 C ATOM 886 CE1 PHE A 60 10.658 -4.417 -4.500 1.00 0.00 C ATOM 887 CE2 PHE A 60 10.518 -4.630 -6.947 1.00 0.00 C ATOM 888 CZ PHE A 60 10.115 -3.995 -5.743 1.00 0.00 C ATOM 0 H PHE A 60 15.038 -6.396 -7.005 1.00 0.00 H new ATOM 0 HA PHE A 60 14.191 -6.243 -4.097 1.00 0.00 H new ATOM 0 HB2 PHE A 60 13.161 -7.642 -6.629 1.00 0.00 H new ATOM 0 HB3 PHE A 60 12.596 -8.072 -5.027 1.00 0.00 H new ATOM 0 HD1 PHE A 60 12.019 -5.796 -3.517 1.00 0.00 H new ATOM 0 HD2 PHE A 60 11.768 -6.176 -7.825 1.00 0.00 H new ATOM 0 HE1 PHE A 60 10.351 -3.934 -3.584 1.00 0.00 H new ATOM 0 HE2 PHE A 60 10.106 -4.307 -7.892 1.00 0.00 H new ATOM 0 HZ PHE A 60 9.395 -3.190 -5.772 1.00 0.00 H new ATOM 898 N LEU A 61 16.519 -7.850 -4.898 1.00 0.00 N ATOM 899 CA LEU A 61 17.461 -8.998 -4.676 1.00 0.00 C ATOM 900 C LEU A 61 17.268 -9.638 -3.294 1.00 0.00 C ATOM 901 O LEU A 61 17.258 -10.849 -3.169 1.00 0.00 O ATOM 902 CB LEU A 61 18.861 -8.386 -4.787 1.00 0.00 C ATOM 903 CG LEU A 61 19.920 -9.487 -4.676 1.00 0.00 C ATOM 904 CD1 LEU A 61 19.790 -10.448 -5.859 1.00 0.00 C ATOM 905 CD2 LEU A 61 21.313 -8.854 -4.685 1.00 0.00 C ATOM 0 H LEU A 61 16.966 -6.975 -5.173 1.00 0.00 H new ATOM 0 HA LEU A 61 17.290 -9.794 -5.400 1.00 0.00 H new ATOM 0 HB2 LEU A 61 18.965 -7.864 -5.738 1.00 0.00 H new ATOM 0 HB3 LEU A 61 19.008 -7.647 -4.000 1.00 0.00 H new ATOM 0 HG LEU A 61 19.774 -10.037 -3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 61 20.545 -11.230 -5.777 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.798 -10.899 -5.854 1.00 0.00 H new ATOM 0 HD13 LEU A 61 19.935 -9.900 -6.790 1.00 0.00 H new ATOM 0 HD21 LEU A 61 22.068 -9.636 -4.606 1.00 0.00 H new ATOM 0 HD22 LEU A 61 21.456 -8.303 -5.615 1.00 0.00 H new ATOM 0 HD23 LEU A 61 21.408 -8.171 -3.841 1.00 0.00 H new ATOM 917 N ASP A 62 17.129 -8.847 -2.260 1.00 0.00 N ATOM 918 CA ASP A 62 16.952 -9.432 -0.892 1.00 0.00 C ATOM 919 C ASP A 62 15.617 -10.174 -0.788 1.00 0.00 C ATOM 920 O ASP A 62 14.630 -9.790 -1.385 1.00 0.00 O ATOM 921 CB ASP A 62 16.994 -8.237 0.071 1.00 0.00 C ATOM 922 CG ASP A 62 15.867 -7.242 -0.246 1.00 0.00 C ATOM 923 OD1 ASP A 62 15.227 -7.391 -1.276 1.00 0.00 O ATOM 924 OD2 ASP A 62 15.671 -6.336 0.547 1.00 0.00 O ATOM 0 H ASP A 62 17.130 -7.828 -2.301 1.00 0.00 H new ATOM 0 HA ASP A 62 17.727 -10.162 -0.660 1.00 0.00 H new ATOM 0 HB2 ASP A 62 16.897 -8.588 1.098 1.00 0.00 H new ATOM 0 HB3 ASP A 62 17.959 -7.737 -0.005 1.00 0.00 H new ATOM 929 N ASP A 63 15.585 -11.250 -0.032 1.00 0.00 N ATOM 930 CA ASP A 63 14.320 -12.042 0.123 1.00 0.00 C ATOM 931 C ASP A 63 13.739 -12.399 -1.249 1.00 0.00 C ATOM 932 O ASP A 63 12.607 -12.082 -1.558 1.00 0.00 O ATOM 933 CB ASP A 63 13.365 -11.138 0.901 1.00 0.00 C ATOM 934 CG ASP A 63 13.848 -10.987 2.347 1.00 0.00 C ATOM 935 OD1 ASP A 63 14.496 -11.899 2.837 1.00 0.00 O ATOM 936 OD2 ASP A 63 13.560 -9.961 2.941 1.00 0.00 O ATOM 0 H ASP A 63 16.385 -11.614 0.486 1.00 0.00 H new ATOM 0 HA ASP A 63 14.491 -12.984 0.643 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.308 -10.160 0.424 1.00 0.00 H new ATOM 0 HB3 ASP A 63 12.360 -11.559 0.887 1.00 0.00 H new ATOM 941 N SER A 64 14.526 -13.039 -2.076 1.00 0.00 N ATOM 942 CA SER A 64 14.066 -13.424 -3.453 1.00 0.00 C ATOM 943 C SER A 64 13.687 -12.171 -4.246 1.00 0.00 C ATOM 944 O SER A 64 13.514 -11.105 -3.688 1.00 0.00 O ATOM 945 CB SER A 64 12.854 -14.349 -3.270 1.00 0.00 C ATOM 946 OG SER A 64 12.432 -14.821 -4.543 1.00 0.00 O ATOM 0 H SER A 64 15.482 -13.317 -1.856 1.00 0.00 H new ATOM 0 HA SER A 64 14.852 -13.933 -4.010 1.00 0.00 H new ATOM 0 HB2 SER A 64 13.116 -15.188 -2.626 1.00 0.00 H new ATOM 0 HB3 SER A 64 12.042 -13.812 -2.780 1.00 0.00 H new ATOM 0 HG SER A 64 11.659 -15.414 -4.432 1.00 0.00 H new ATOM 952 N ILE A 67 13.578 -12.292 -5.546 1.00 0.00 N ATOM 953 CA ILE A 67 13.238 -11.105 -6.386 1.00 0.00 C ATOM 954 C ILE A 67 11.748 -11.096 -6.759 1.00 0.00 C ATOM 955 O ILE A 67 11.155 -12.120 -7.037 1.00 0.00 O ATOM 956 CB ILE A 67 14.118 -11.246 -7.627 1.00 0.00 C ATOM 957 CG1 ILE A 67 15.581 -11.139 -7.192 1.00 0.00 C ATOM 958 CG2 ILE A 67 13.802 -10.124 -8.629 1.00 0.00 C ATOM 959 CD1 ILE A 67 16.487 -11.375 -8.391 1.00 0.00 C ATOM 0 H ILE A 67 13.710 -13.163 -6.061 1.00 0.00 H new ATOM 0 HA ILE A 67 13.415 -10.166 -5.861 1.00 0.00 H new ATOM 0 HB ILE A 67 13.930 -12.207 -8.106 1.00 0.00 H new ATOM 0 HG12 ILE A 67 15.773 -10.154 -6.766 1.00 0.00 H new ATOM 0 HG13 ILE A 67 15.794 -11.871 -6.413 1.00 0.00 H new ATOM 0 HG21 ILE A 67 14.435 -10.234 -9.510 1.00 0.00 H new ATOM 0 HG22 ILE A 67 12.755 -10.185 -8.925 1.00 0.00 H new ATOM 0 HG23 ILE A 67 13.992 -9.157 -8.164 1.00 0.00 H new ATOM 0 HD11 ILE A 67 17.529 -11.299 -8.080 1.00 0.00 H new ATOM 0 HD12 ILE A 67 16.301 -12.369 -8.797 1.00 0.00 H new ATOM 0 HD13 ILE A 67 16.281 -10.626 -9.156 1.00 0.00 H new ATOM 971 N CYS A 68 11.157 -9.929 -6.779 1.00 0.00 N ATOM 972 CA CYS A 68 9.717 -9.803 -7.147 1.00 0.00 C ATOM 973 C CYS A 68 9.583 -8.864 -8.349 1.00 0.00 C ATOM 974 O CYS A 68 10.416 -8.004 -8.565 1.00 0.00 O ATOM 975 CB CYS A 68 9.034 -9.199 -5.918 1.00 0.00 C ATOM 976 SG CYS A 68 8.982 -10.423 -4.586 1.00 0.00 S ATOM 0 H CYS A 68 11.618 -9.048 -6.553 1.00 0.00 H new ATOM 0 HA CYS A 68 9.270 -10.759 -7.421 1.00 0.00 H new ATOM 0 HB2 CYS A 68 9.575 -8.312 -5.589 1.00 0.00 H new ATOM 0 HB3 CYS A 68 8.023 -8.880 -6.172 1.00 0.00 H new ATOM 981 N THR A 69 8.545 -9.021 -9.129 1.00 0.00 N ATOM 982 CA THR A 69 8.358 -8.135 -10.316 1.00 0.00 C ATOM 983 C THR A 69 6.920 -7.617 -10.356 1.00 0.00 C ATOM 984 O THR A 69 6.006 -8.278 -9.900 1.00 0.00 O ATOM 985 CB THR A 69 8.661 -9.024 -11.529 1.00 0.00 C ATOM 986 OG1 THR A 69 8.538 -8.255 -12.717 1.00 0.00 O ATOM 987 CG2 THR A 69 7.685 -10.204 -11.575 1.00 0.00 C ATOM 0 H THR A 69 7.819 -9.725 -8.995 1.00 0.00 H new ATOM 0 HA THR A 69 9.007 -7.259 -10.293 1.00 0.00 H new ATOM 0 HB THR A 69 9.677 -9.411 -11.446 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.733 -8.820 -13.494 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.909 -10.828 -12.440 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.786 -10.795 -10.665 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.664 -9.829 -11.653 1.00 0.00 H new ATOM 995 N GLY A 70 6.713 -6.442 -10.895 1.00 0.00 N ATOM 996 CA GLY A 70 5.331 -5.891 -10.957 1.00 0.00 C ATOM 997 C GLY A 70 5.335 -4.516 -11.623 1.00 0.00 C ATOM 998 O GLY A 70 6.332 -4.064 -12.151 1.00 0.00 O ATOM 0 H GLY A 70 7.439 -5.845 -11.292 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.687 -6.570 -11.515 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.918 -5.814 -9.951 1.00 0.00 H new ATOM 1002 N THR A 71 4.211 -3.858 -11.593 1.00 0.00 N ATOM 1003 CA THR A 71 4.088 -2.509 -12.207 1.00 0.00 C ATOM 1004 C THR A 71 3.473 -1.541 -11.193 1.00 0.00 C ATOM 1005 O THR A 71 2.980 -1.946 -10.166 1.00 0.00 O ATOM 1006 CB THR A 71 3.150 -2.716 -13.390 1.00 0.00 C ATOM 1007 OG1 THR A 71 3.738 -3.622 -14.312 1.00 0.00 O ATOM 1008 CG2 THR A 71 2.863 -1.386 -14.086 1.00 0.00 C ATOM 0 H THR A 71 3.356 -4.206 -11.160 1.00 0.00 H new ATOM 0 HA THR A 71 5.046 -2.088 -12.513 1.00 0.00 H new ATOM 0 HB THR A 71 2.210 -3.127 -13.023 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.133 -3.755 -15.071 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.192 -1.554 -14.928 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.395 -0.699 -13.380 1.00 0.00 H new ATOM 0 HG23 THR A 71 3.797 -0.955 -14.447 1.00 0.00 H new ATOM 1016 N SER A 72 3.499 -0.271 -11.483 1.00 0.00 N ATOM 1017 CA SER A 72 2.905 0.741 -10.554 1.00 0.00 C ATOM 1018 C SER A 72 2.625 2.030 -11.334 1.00 0.00 C ATOM 1019 O SER A 72 3.503 2.553 -11.996 1.00 0.00 O ATOM 1020 CB SER A 72 3.966 0.975 -9.480 1.00 0.00 C ATOM 1021 OG SER A 72 4.169 -0.228 -8.751 1.00 0.00 O ATOM 0 H SER A 72 3.910 0.117 -12.332 1.00 0.00 H new ATOM 0 HA SER A 72 1.964 0.412 -10.112 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.900 1.297 -9.940 1.00 0.00 H new ATOM 0 HB3 SER A 72 3.650 1.772 -8.808 1.00 0.00 H new ATOM 0 HG SER A 72 3.462 -0.869 -8.974 1.00 0.00 H new ATOM 1027 N SER A 73 1.419 2.547 -11.272 1.00 0.00 N ATOM 1028 CA SER A 73 1.114 3.800 -12.026 1.00 0.00 C ATOM 1029 C SER A 73 -0.061 4.533 -11.384 1.00 0.00 C ATOM 1030 O SER A 73 -0.879 3.939 -10.708 1.00 0.00 O ATOM 1031 CB SER A 73 0.747 3.335 -13.434 1.00 0.00 C ATOM 1032 OG SER A 73 -0.436 2.548 -13.375 1.00 0.00 O ATOM 0 H SER A 73 0.642 2.158 -10.737 1.00 0.00 H new ATOM 0 HA SER A 73 1.956 4.493 -12.030 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.593 4.195 -14.085 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.564 2.753 -13.862 1.00 0.00 H new ATOM 0 HG SER A 73 -0.675 2.249 -14.277 1.00 0.00 H new ATOM 1038 N GLY A 74 -0.152 5.825 -11.591 1.00 0.00 N ATOM 1039 CA GLY A 74 -1.277 6.613 -10.998 1.00 0.00 C ATOM 1040 C GLY A 74 -1.352 6.354 -9.491 1.00 0.00 C ATOM 1041 O GLY A 74 -0.388 6.538 -8.771 1.00 0.00 O ATOM 0 H GLY A 74 0.507 6.369 -12.147 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.128 7.676 -11.187 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -2.218 6.334 -11.472 1.00 0.00 H new ATOM 1045 N ASN A 75 -2.488 5.920 -9.020 1.00 0.00 N ATOM 1046 CA ASN A 75 -2.641 5.630 -7.567 1.00 0.00 C ATOM 1047 C ASN A 75 -2.749 4.118 -7.318 1.00 0.00 C ATOM 1048 O ASN A 75 -3.080 3.696 -6.227 1.00 0.00 O ATOM 1049 CB ASN A 75 -3.939 6.332 -7.164 1.00 0.00 C ATOM 1050 CG ASN A 75 -3.778 7.843 -7.340 1.00 0.00 C ATOM 1051 OD1 ASN A 75 -2.877 8.438 -6.784 1.00 0.00 O ATOM 1052 ND2 ASN A 75 -4.621 8.493 -8.095 1.00 0.00 N ATOM 0 H ASN A 75 -3.322 5.753 -9.583 1.00 0.00 H new ATOM 0 HA ASN A 75 -1.784 5.977 -6.990 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -4.766 5.970 -7.775 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -4.184 6.100 -6.127 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -4.523 9.501 -8.218 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.378 7.993 -8.562 1.00 0.00 H new ATOM 1059 N GLN A 76 -2.478 3.295 -8.312 1.00 0.00 N ATOM 1060 CA GLN A 76 -2.580 1.817 -8.109 1.00 0.00 C ATOM 1061 C GLN A 76 -1.227 1.149 -8.325 1.00 0.00 C ATOM 1062 O GLN A 76 -0.617 1.303 -9.368 1.00 0.00 O ATOM 1063 CB GLN A 76 -3.579 1.339 -9.164 1.00 0.00 C ATOM 1064 CG GLN A 76 -4.988 1.792 -8.777 1.00 0.00 C ATOM 1065 CD GLN A 76 -6.004 1.227 -9.773 1.00 0.00 C ATOM 1066 OE1 GLN A 76 -7.081 0.816 -9.390 1.00 0.00 O ATOM 1067 NE2 GLN A 76 -5.708 1.190 -11.045 1.00 0.00 N ATOM 0 H GLN A 76 -2.193 3.586 -9.247 1.00 0.00 H new ATOM 0 HA GLN A 76 -2.897 1.568 -7.096 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.312 1.741 -10.141 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -3.545 0.253 -9.246 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.225 1.453 -7.769 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.041 2.881 -8.767 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.804 1.535 -11.369 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.381 0.816 -11.715 1.00 0.00 H new ATOM 1076 N VAL A 77 -0.749 0.403 -7.355 1.00 0.00 N ATOM 1077 CA VAL A 77 0.563 -0.270 -7.527 1.00 0.00 C ATOM 1078 C VAL A 77 0.355 -1.777 -7.732 1.00 0.00 C ATOM 1079 O VAL A 77 -0.269 -2.445 -6.932 1.00 0.00 O ATOM 1080 CB VAL A 77 1.384 0.036 -6.258 1.00 0.00 C ATOM 1081 CG1 VAL A 77 1.315 1.531 -5.915 1.00 0.00 C ATOM 1082 CG2 VAL A 77 0.905 -0.790 -5.053 1.00 0.00 C ATOM 0 H VAL A 77 -1.212 0.237 -6.462 1.00 0.00 H new ATOM 0 HA VAL A 77 1.095 0.091 -8.407 1.00 0.00 H new ATOM 0 HB VAL A 77 2.416 -0.240 -6.472 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.901 1.726 -5.017 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.717 2.113 -6.744 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.278 1.817 -5.741 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.510 -0.544 -4.180 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.140 -0.560 -4.847 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.006 -1.852 -5.277 1.00 0.00 H new ATOM 1092 N ASN A 78 0.862 -2.302 -8.809 1.00 0.00 N ATOM 1093 CA ASN A 78 0.694 -3.754 -9.103 1.00 0.00 C ATOM 1094 C ASN A 78 1.975 -4.538 -8.769 1.00 0.00 C ATOM 1095 O ASN A 78 3.004 -4.340 -9.379 1.00 0.00 O ATOM 1096 CB ASN A 78 0.414 -3.791 -10.609 1.00 0.00 C ATOM 1097 CG ASN A 78 -0.025 -5.195 -11.020 1.00 0.00 C ATOM 1098 OD1 ASN A 78 0.398 -6.182 -10.450 1.00 0.00 O ATOM 1099 ND2 ASN A 78 -0.880 -5.292 -12.005 1.00 0.00 N ATOM 0 H ASN A 78 1.393 -1.782 -9.508 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.099 -4.212 -8.512 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -0.362 -3.069 -10.862 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.309 -3.504 -11.162 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.221 -4.450 -12.469 1.00 0.00 H new ATOM 1105 N LEU A 79 1.909 -5.440 -7.818 1.00 0.00 N ATOM 1106 CA LEU A 79 3.115 -6.257 -7.463 1.00 0.00 C ATOM 1107 C LEU A 79 2.833 -7.734 -7.775 1.00 0.00 C ATOM 1108 O LEU A 79 1.791 -8.256 -7.421 1.00 0.00 O ATOM 1109 CB LEU A 79 3.333 -6.048 -5.956 1.00 0.00 C ATOM 1110 CG LEU A 79 3.671 -4.577 -5.673 1.00 0.00 C ATOM 1111 CD1 LEU A 79 3.815 -4.354 -4.169 1.00 0.00 C ATOM 1112 CD2 LEU A 79 4.985 -4.203 -6.370 1.00 0.00 C ATOM 0 H LEU A 79 1.072 -5.646 -7.272 1.00 0.00 H new ATOM 0 HA LEU A 79 4.000 -5.963 -8.028 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.436 -6.336 -5.407 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.141 -6.689 -5.605 1.00 0.00 H new ATOM 0 HG LEU A 79 2.865 -3.950 -6.055 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.055 -3.308 -3.978 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.879 -4.609 -3.672 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.614 -4.986 -3.782 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.220 -3.158 -6.166 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.789 -4.836 -5.995 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.881 -4.348 -7.445 1.00 0.00 H new ATOM 1124 N THR A 80 3.738 -8.409 -8.449 1.00 0.00 N ATOM 1125 CA THR A 80 3.498 -9.845 -8.796 1.00 0.00 C ATOM 1126 C THR A 80 4.638 -10.735 -8.282 1.00 0.00 C ATOM 1127 O THR A 80 5.783 -10.330 -8.231 1.00 0.00 O ATOM 1128 CB THR A 80 3.437 -9.874 -10.326 1.00 0.00 C ATOM 1129 OG1 THR A 80 2.408 -9.001 -10.772 1.00 0.00 O ATOM 1130 CG2 THR A 80 3.138 -11.296 -10.804 1.00 0.00 C ATOM 0 H THR A 80 4.627 -8.028 -8.771 1.00 0.00 H new ATOM 0 HA THR A 80 2.585 -10.226 -8.339 1.00 0.00 H new ATOM 0 HB THR A 80 4.396 -9.551 -10.732 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.367 -9.016 -11.751 1.00 0.00 H new ATOM 0 HG21 THR A 80 3.095 -11.312 -11.893 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.925 -11.968 -10.461 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.180 -11.622 -10.399 1.00 0.00 H new ATOM 1138 N ILE A 81 4.320 -11.949 -7.908 1.00 0.00 N ATOM 1139 CA ILE A 81 5.363 -12.892 -7.399 1.00 0.00 C ATOM 1140 C ILE A 81 5.536 -14.059 -8.373 1.00 0.00 C ATOM 1141 O ILE A 81 4.570 -14.684 -8.750 1.00 0.00 O ATOM 1142 CB ILE A 81 4.800 -13.429 -6.076 1.00 0.00 C ATOM 1143 CG1 ILE A 81 4.656 -12.288 -5.068 1.00 0.00 C ATOM 1144 CG2 ILE A 81 5.735 -14.507 -5.506 1.00 0.00 C ATOM 1145 CD1 ILE A 81 3.664 -12.705 -3.979 1.00 0.00 C ATOM 0 H ILE A 81 3.374 -12.330 -7.934 1.00 0.00 H new ATOM 0 HA ILE A 81 6.330 -12.402 -7.282 1.00 0.00 H new ATOM 0 HB ILE A 81 3.820 -13.868 -6.263 1.00 0.00 H new ATOM 0 HG12 ILE A 81 5.624 -12.053 -4.625 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.307 -11.385 -5.569 1.00 0.00 H new ATOM 0 HG21 ILE A 81 5.328 -14.882 -4.567 1.00 0.00 H new ATOM 0 HG22 ILE A 81 5.821 -15.328 -6.218 1.00 0.00 H new ATOM 0 HG23 ILE A 81 6.720 -14.077 -5.328 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.556 -11.896 -3.256 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.696 -12.919 -4.431 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.033 -13.597 -3.473 1.00 0.00 H new ATOM 1157 N GLN A 82 6.752 -14.388 -8.736 1.00 0.00 N ATOM 1158 CA GLN A 82 6.961 -15.557 -9.641 1.00 0.00 C ATOM 1159 C GLN A 82 7.624 -16.694 -8.867 1.00 0.00 C ATOM 1160 O GLN A 82 8.709 -16.552 -8.336 1.00 0.00 O ATOM 1161 CB GLN A 82 7.891 -15.100 -10.757 1.00 0.00 C ATOM 1162 CG GLN A 82 7.172 -14.118 -11.682 1.00 0.00 C ATOM 1163 CD GLN A 82 8.203 -13.259 -12.417 1.00 0.00 C ATOM 1164 OE1 GLN A 82 9.132 -12.646 -11.736 1.00 0.00 O flip ATOM 1165 NE2 GLN A 82 8.161 -13.142 -13.626 1.00 0.00 N flip ATOM 0 H GLN A 82 7.601 -13.902 -8.447 1.00 0.00 H new ATOM 0 HA GLN A 82 6.011 -15.912 -10.040 1.00 0.00 H new ATOM 0 HB2 GLN A 82 8.776 -14.627 -10.331 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.235 -15.962 -11.328 1.00 0.00 H new ATOM 0 HG2 GLN A 82 6.558 -14.662 -12.400 1.00 0.00 H new ATOM 0 HG3 GLN A 82 6.500 -13.483 -11.104 1.00 0.00 H new ATOM 0 HE21 GLN A 82 7.435 -13.621 -14.160 1.00 0.00 H new ATOM 0 HE22 GLN A 82 8.851 -12.565 -14.107 1.00 0.00 H new ATOM 1174 N GLY A 83 6.975 -17.816 -8.812 1.00 0.00 N ATOM 1175 CA GLY A 83 7.542 -18.990 -8.086 1.00 0.00 C ATOM 1176 C GLY A 83 6.740 -19.241 -6.810 1.00 0.00 C ATOM 1177 O GLY A 83 7.296 -19.453 -5.749 1.00 0.00 O ATOM 0 H GLY A 83 6.064 -17.977 -9.243 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.514 -19.873 -8.724 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.588 -18.807 -7.840 1.00 0.00 H new ATOM 1181 N LEU A 84 5.435 -19.212 -6.908 1.00 0.00 N ATOM 1182 CA LEU A 84 4.586 -19.442 -5.704 1.00 0.00 C ATOM 1183 C LEU A 84 4.349 -20.936 -5.475 1.00 0.00 C ATOM 1184 O LEU A 84 3.874 -21.643 -6.343 1.00 0.00 O ATOM 1185 CB LEU A 84 3.266 -18.741 -6.012 1.00 0.00 C ATOM 1186 CG LEU A 84 3.479 -17.230 -6.000 1.00 0.00 C ATOM 1187 CD1 LEU A 84 2.252 -16.539 -6.595 1.00 0.00 C ATOM 1188 CD2 LEU A 84 3.679 -16.763 -4.557 1.00 0.00 C ATOM 0 H LEU A 84 4.922 -19.039 -7.772 1.00 0.00 H new ATOM 0 HA LEU A 84 5.060 -19.060 -4.800 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.891 -19.059 -6.985 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.513 -19.019 -5.274 1.00 0.00 H new ATOM 0 HG LEU A 84 4.359 -16.978 -6.592 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.403 -15.460 -6.587 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.106 -16.877 -7.621 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.372 -16.787 -6.002 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.832 -15.684 -4.542 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.797 -17.013 -3.968 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.551 -17.259 -4.132 1.00 0.00 H new ATOM 1200 N ARG A 85 4.663 -21.405 -4.300 1.00 0.00 N ATOM 1201 CA ARG A 85 4.451 -22.843 -3.969 1.00 0.00 C ATOM 1202 C ARG A 85 3.270 -22.968 -3.005 1.00 0.00 C ATOM 1203 O ARG A 85 2.717 -21.976 -2.566 1.00 0.00 O ATOM 1204 CB ARG A 85 5.746 -23.289 -3.290 1.00 0.00 C ATOM 1205 CG ARG A 85 6.906 -23.159 -4.277 1.00 0.00 C ATOM 1206 CD ARG A 85 8.121 -23.914 -3.738 1.00 0.00 C ATOM 1207 NE ARG A 85 9.208 -23.681 -4.740 1.00 0.00 N ATOM 1208 CZ ARG A 85 10.347 -24.344 -4.684 1.00 0.00 C ATOM 1209 NH1 ARG A 85 10.580 -25.232 -3.745 1.00 0.00 N ATOM 1210 NH2 ARG A 85 11.265 -24.110 -5.582 1.00 0.00 N ATOM 0 H ARG A 85 5.062 -20.847 -3.545 1.00 0.00 H new ATOM 0 HA ARG A 85 4.228 -23.451 -4.846 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.935 -22.679 -2.407 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.656 -24.321 -2.952 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.617 -23.560 -5.249 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.154 -22.108 -4.426 1.00 0.00 H new ATOM 0 HD2 ARG A 85 8.408 -23.545 -2.753 1.00 0.00 H new ATOM 0 HD3 ARG A 85 7.907 -24.977 -3.630 1.00 0.00 H new ATOM 0 HE ARG A 85 9.065 -22.995 -5.482 1.00 0.00 H new ATOM 0 HH11 ARG A 85 9.872 -25.423 -3.036 1.00 0.00 H new ATOM 0 HH12 ARG A 85 11.469 -25.731 -3.724 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.097 -23.421 -6.316 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.150 -24.616 -5.550 1.00 0.00 H new ATOM 1224 N ALA A 86 2.880 -24.171 -2.665 1.00 0.00 N ATOM 1225 CA ALA A 86 1.733 -24.348 -1.717 1.00 0.00 C ATOM 1226 C ALA A 86 2.063 -23.673 -0.383 1.00 0.00 C ATOM 1227 O ALA A 86 1.242 -22.993 0.204 1.00 0.00 O ATOM 1228 CB ALA A 86 1.587 -25.859 -1.533 1.00 0.00 C ATOM 0 H ALA A 86 3.303 -25.036 -3.000 1.00 0.00 H new ATOM 0 HA ALA A 86 0.812 -23.901 -2.091 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.764 -26.064 -0.849 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.383 -26.325 -2.497 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.511 -26.266 -1.122 1.00 0.00 H new ATOM 1234 N MET A 87 3.268 -23.854 0.087 1.00 0.00 N ATOM 1235 CA MET A 87 3.685 -23.225 1.374 1.00 0.00 C ATOM 1236 C MET A 87 3.624 -21.698 1.260 1.00 0.00 C ATOM 1237 O MET A 87 3.293 -21.007 2.204 1.00 0.00 O ATOM 1238 CB MET A 87 5.128 -23.689 1.595 1.00 0.00 C ATOM 1239 CG MET A 87 5.631 -23.181 2.947 1.00 0.00 C ATOM 1240 SD MET A 87 7.419 -23.434 3.060 1.00 0.00 S ATOM 1241 CE MET A 87 7.384 -25.235 3.235 1.00 0.00 C ATOM 0 H MET A 87 3.987 -24.415 -0.369 1.00 0.00 H new ATOM 0 HA MET A 87 3.035 -23.509 2.202 1.00 0.00 H new ATOM 0 HB2 MET A 87 5.179 -24.777 1.563 1.00 0.00 H new ATOM 0 HB3 MET A 87 5.767 -23.316 0.795 1.00 0.00 H new ATOM 0 HG2 MET A 87 5.395 -22.123 3.061 1.00 0.00 H new ATOM 0 HG3 MET A 87 5.127 -23.709 3.756 1.00 0.00 H new ATOM 0 HE1 MET A 87 8.337 -25.580 3.635 1.00 0.00 H new ATOM 0 HE2 MET A 87 6.581 -25.519 3.915 1.00 0.00 H new ATOM 0 HE3 MET A 87 7.213 -25.692 2.260 1.00 0.00 H new ATOM 1251 N ASP A 88 3.957 -21.174 0.109 1.00 0.00 N ATOM 1252 CA ASP A 88 3.939 -19.690 -0.087 1.00 0.00 C ATOM 1253 C ASP A 88 2.511 -19.142 -0.024 1.00 0.00 C ATOM 1254 O ASP A 88 2.300 -17.994 0.317 1.00 0.00 O ATOM 1255 CB ASP A 88 4.529 -19.457 -1.478 1.00 0.00 C ATOM 1256 CG ASP A 88 5.990 -19.919 -1.507 1.00 0.00 C ATOM 1257 OD1 ASP A 88 6.628 -19.885 -0.466 1.00 0.00 O ATOM 1258 OD2 ASP A 88 6.447 -20.299 -2.572 1.00 0.00 O ATOM 0 H ASP A 88 4.243 -21.712 -0.709 1.00 0.00 H new ATOM 0 HA ASP A 88 4.505 -19.181 0.693 1.00 0.00 H new ATOM 0 HB2 ASP A 88 3.951 -20.002 -2.224 1.00 0.00 H new ATOM 0 HB3 ASP A 88 4.467 -18.400 -1.737 1.00 0.00 H new ATOM 1263 N THR A 89 1.524 -19.948 -0.356 1.00 0.00 N ATOM 1264 CA THR A 89 0.109 -19.472 -0.323 1.00 0.00 C ATOM 1265 C THR A 89 -0.202 -18.832 1.026 1.00 0.00 C ATOM 1266 O THR A 89 0.110 -19.373 2.071 1.00 0.00 O ATOM 1267 CB THR A 89 -0.741 -20.706 -0.524 1.00 0.00 C ATOM 1268 OG1 THR A 89 -0.276 -21.430 -1.654 1.00 0.00 O ATOM 1269 CG2 THR A 89 -2.198 -20.294 -0.740 1.00 0.00 C ATOM 0 H THR A 89 1.644 -20.918 -0.649 1.00 0.00 H new ATOM 0 HA THR A 89 -0.082 -18.721 -1.089 1.00 0.00 H new ATOM 0 HB THR A 89 -0.672 -21.339 0.360 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.719 -22.304 -1.688 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.810 -21.184 -0.885 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.554 -19.746 0.133 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.269 -19.657 -1.622 1.00 0.00 H new ATOM 1277 N GLY A 90 -0.797 -17.679 1.000 1.00 0.00 N ATOM 1278 CA GLY A 90 -1.117 -16.976 2.275 1.00 0.00 C ATOM 1279 C GLY A 90 -1.546 -15.537 1.989 1.00 0.00 C ATOM 1280 O GLY A 90 -2.216 -15.257 1.013 1.00 0.00 O ATOM 0 H GLY A 90 -1.078 -17.188 0.151 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.913 -17.503 2.800 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -0.246 -16.980 2.930 1.00 0.00 H new ATOM 1284 N LEU A 91 -1.177 -14.628 2.854 1.00 0.00 N ATOM 1285 CA LEU A 91 -1.565 -13.203 2.674 1.00 0.00 C ATOM 1286 C LEU A 91 -0.357 -12.330 2.313 1.00 0.00 C ATOM 1287 O LEU A 91 0.671 -12.372 2.962 1.00 0.00 O ATOM 1288 CB LEU A 91 -2.117 -12.808 4.042 1.00 0.00 C ATOM 1289 CG LEU A 91 -2.587 -11.357 4.028 1.00 0.00 C ATOM 1290 CD1 LEU A 91 -4.008 -11.282 3.477 1.00 0.00 C ATOM 1291 CD2 LEU A 91 -2.551 -10.822 5.449 1.00 0.00 C ATOM 0 H LEU A 91 -0.617 -14.818 3.685 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.279 -13.068 1.862 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.946 -13.463 4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.348 -12.940 4.803 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.934 -10.758 3.393 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.341 -10.244 3.468 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.026 -11.677 2.461 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.674 -11.871 4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.885 -9.784 5.456 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.210 -11.419 6.079 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.532 -10.878 5.833 1.00 0.00 H new ATOM 1303 N TYR A 92 -0.499 -11.511 1.301 1.00 0.00 N ATOM 1304 CA TYR A 92 0.609 -10.592 0.907 1.00 0.00 C ATOM 1305 C TYR A 92 0.177 -9.148 1.171 1.00 0.00 C ATOM 1306 O TYR A 92 -0.927 -8.754 0.848 1.00 0.00 O ATOM 1307 CB TYR A 92 0.859 -10.862 -0.574 1.00 0.00 C ATOM 1308 CG TYR A 92 1.530 -12.209 -0.704 1.00 0.00 C ATOM 1309 CD1 TYR A 92 0.751 -13.397 -0.719 1.00 0.00 C ATOM 1310 CD2 TYR A 92 2.946 -12.286 -0.798 1.00 0.00 C ATOM 1311 CE1 TYR A 92 1.390 -14.663 -0.830 1.00 0.00 C ATOM 1312 CE2 TYR A 92 3.584 -13.549 -0.910 1.00 0.00 C ATOM 1313 CZ TYR A 92 2.807 -14.738 -0.925 1.00 0.00 C ATOM 1314 OH TYR A 92 3.426 -15.967 -1.034 1.00 0.00 O ATOM 0 H TYR A 92 -1.340 -11.440 0.729 1.00 0.00 H new ATOM 0 HA TYR A 92 1.525 -10.753 1.475 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.081 -10.851 -1.126 1.00 0.00 H new ATOM 0 HB3 TYR A 92 1.488 -10.081 -1.001 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -0.325 -13.339 -0.646 1.00 0.00 H new ATOM 0 HD2 TYR A 92 3.537 -11.382 -0.784 1.00 0.00 H new ATOM 0 HE1 TYR A 92 0.799 -15.567 -0.842 1.00 0.00 H new ATOM 0 HE2 TYR A 92 4.660 -13.606 -0.984 1.00 0.00 H new ATOM 0 HH TYR A 92 2.935 -16.629 -0.504 1.00 0.00 H new ATOM 1324 N ILE A 93 1.022 -8.380 1.810 1.00 0.00 N ATOM 1325 CA ILE A 93 0.652 -6.976 2.169 1.00 0.00 C ATOM 1326 C ILE A 93 1.394 -5.953 1.322 1.00 0.00 C ATOM 1327 O ILE A 93 2.602 -5.958 1.280 1.00 0.00 O ATOM 1328 CB ILE A 93 1.118 -6.801 3.622 1.00 0.00 C ATOM 1329 CG1 ILE A 93 0.425 -7.811 4.527 1.00 0.00 C ATOM 1330 CG2 ILE A 93 0.791 -5.376 4.120 1.00 0.00 C ATOM 1331 CD1 ILE A 93 1.108 -9.176 4.441 1.00 0.00 C ATOM 0 H ILE A 93 1.957 -8.666 2.100 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.416 -6.819 2.016 1.00 0.00 H new ATOM 0 HB ILE A 93 2.195 -6.963 3.655 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.442 -7.455 5.557 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -0.622 -7.905 4.240 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.126 -5.265 5.151 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.301 -4.645 3.492 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -0.285 -5.211 4.069 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.596 -9.881 5.096 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.067 -9.539 3.414 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.149 -9.082 4.752 1.00 0.00 H new ATOM 1343 N CYS A 94 0.694 -5.018 0.734 1.00 0.00 N ATOM 1344 CA CYS A 94 1.404 -3.949 -0.012 1.00 0.00 C ATOM 1345 C CYS A 94 1.893 -2.949 1.040 1.00 0.00 C ATOM 1346 O CYS A 94 1.429 -2.968 2.165 1.00 0.00 O ATOM 1347 CB CYS A 94 0.378 -3.333 -0.966 1.00 0.00 C ATOM 1348 SG CYS A 94 -0.852 -2.397 -0.033 1.00 0.00 S ATOM 0 H CYS A 94 -0.324 -4.952 0.740 1.00 0.00 H new ATOM 0 HA CYS A 94 2.258 -4.294 -0.595 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.880 -2.679 -1.679 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -0.111 -4.118 -1.543 1.00 0.00 H new ATOM 1353 N LYS A 95 2.834 -2.113 0.716 1.00 0.00 N ATOM 1354 CA LYS A 95 3.367 -1.156 1.728 1.00 0.00 C ATOM 1355 C LYS A 95 3.879 0.071 1.001 1.00 0.00 C ATOM 1356 O LYS A 95 5.063 0.235 0.803 1.00 0.00 O ATOM 1357 CB LYS A 95 4.506 -1.924 2.383 1.00 0.00 C ATOM 1358 CG LYS A 95 5.261 -1.026 3.375 1.00 0.00 C ATOM 1359 CD LYS A 95 5.209 -1.656 4.760 1.00 0.00 C ATOM 1360 CE LYS A 95 5.913 -0.742 5.768 1.00 0.00 C ATOM 1361 NZ LYS A 95 5.903 -1.498 7.052 1.00 0.00 N ATOM 0 H LYS A 95 3.261 -2.048 -0.208 1.00 0.00 H new ATOM 0 HA LYS A 95 2.634 -0.817 2.460 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.112 -2.798 2.902 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.192 -2.289 1.619 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.296 -0.903 3.057 1.00 0.00 H new ATOM 0 HG3 LYS A 95 4.814 -0.032 3.397 1.00 0.00 H new ATOM 0 HD2 LYS A 95 4.173 -1.815 5.060 1.00 0.00 H new ATOM 0 HD3 LYS A 95 5.689 -2.634 4.744 1.00 0.00 H new ATOM 0 HE2 LYS A 95 6.931 -0.517 5.451 1.00 0.00 H new ATOM 0 HE3 LYS A 95 5.392 0.210 5.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 5.623 -0.863 7.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 5.225 -2.284 6.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 6.854 -1.875 7.240 1.00 0.00 H new ATOM 1375 N VAL A 96 2.987 0.914 0.591 1.00 0.00 N ATOM 1376 CA VAL A 96 3.394 2.128 -0.169 1.00 0.00 C ATOM 1377 C VAL A 96 3.542 3.324 0.764 1.00 0.00 C ATOM 1378 O VAL A 96 2.584 3.799 1.346 1.00 0.00 O ATOM 1379 CB VAL A 96 2.276 2.325 -1.200 1.00 0.00 C ATOM 1380 CG1 VAL A 96 0.916 2.462 -0.503 1.00 0.00 C ATOM 1381 CG2 VAL A 96 2.565 3.567 -2.051 1.00 0.00 C ATOM 0 H VAL A 96 1.984 0.819 0.748 1.00 0.00 H new ATOM 0 HA VAL A 96 4.365 2.023 -0.652 1.00 0.00 H new ATOM 0 HB VAL A 96 2.241 1.450 -1.849 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.136 2.601 -1.251 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.710 1.560 0.073 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.935 3.323 0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.767 3.701 -2.781 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.619 4.445 -1.407 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.515 3.439 -2.570 1.00 0.00 H new ATOM 1391 N GLU A 97 4.749 3.803 0.912 1.00 0.00 N ATOM 1392 CA GLU A 97 4.981 4.959 1.812 1.00 0.00 C ATOM 1393 C GLU A 97 5.792 6.047 1.122 1.00 0.00 C ATOM 1394 O GLU A 97 6.867 5.794 0.606 1.00 0.00 O ATOM 1395 CB GLU A 97 5.808 4.408 2.974 1.00 0.00 C ATOM 1396 CG GLU A 97 5.011 3.327 3.707 1.00 0.00 C ATOM 1397 CD GLU A 97 5.700 2.990 5.032 1.00 0.00 C ATOM 1398 OE1 GLU A 97 6.916 3.074 5.084 1.00 0.00 O ATOM 1399 OE2 GLU A 97 4.999 2.651 5.970 1.00 0.00 O ATOM 0 H GLU A 97 5.581 3.440 0.447 1.00 0.00 H new ATOM 0 HA GLU A 97 4.033 5.398 2.122 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.745 3.993 2.602 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.067 5.212 3.662 1.00 0.00 H new ATOM 0 HG2 GLU A 97 3.994 3.673 3.892 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.936 2.434 3.087 1.00 0.00 H new ATOM 1406 N LEU A 98 5.327 7.269 1.172 1.00 0.00 N ATOM 1407 CA LEU A 98 6.127 8.379 0.586 1.00 0.00 C ATOM 1408 C LEU A 98 7.215 8.638 1.613 1.00 0.00 C ATOM 1409 O LEU A 98 7.124 9.543 2.417 1.00 0.00 O ATOM 1410 CB LEU A 98 5.184 9.590 0.463 1.00 0.00 C ATOM 1411 CG LEU A 98 3.845 9.190 -0.180 1.00 0.00 C ATOM 1412 CD1 LEU A 98 3.011 10.443 -0.429 1.00 0.00 C ATOM 1413 CD2 LEU A 98 4.088 8.458 -1.501 1.00 0.00 C ATOM 0 H LEU A 98 4.437 7.542 1.589 1.00 0.00 H new ATOM 0 HA LEU A 98 6.556 8.170 -0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.004 10.015 1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 98 5.661 10.366 -0.136 1.00 0.00 H new ATOM 0 HG LEU A 98 3.310 8.522 0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.061 10.163 -0.885 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.824 10.950 0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.551 11.113 -1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 98 3.132 8.181 -1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.630 9.112 -2.185 1.00 0.00 H new ATOM 0 HD23 LEU A 98 4.676 7.559 -1.316 1.00 0.00 H new ATOM 1425 N MET A 99 8.201 7.787 1.637 1.00 0.00 N ATOM 1426 CA MET A 99 9.266 7.909 2.671 1.00 0.00 C ATOM 1427 C MET A 99 10.315 8.971 2.310 1.00 0.00 C ATOM 1428 O MET A 99 10.664 9.804 3.111 1.00 0.00 O ATOM 1429 CB MET A 99 9.902 6.514 2.731 1.00 0.00 C ATOM 1430 CG MET A 99 10.818 6.409 3.955 1.00 0.00 C ATOM 1431 SD MET A 99 9.890 6.838 5.450 1.00 0.00 S ATOM 1432 CE MET A 99 8.720 5.458 5.408 1.00 0.00 C ATOM 0 H MET A 99 8.316 7.011 0.985 1.00 0.00 H new ATOM 0 HA MET A 99 8.855 8.231 3.628 1.00 0.00 H new ATOM 0 HB2 MET A 99 9.124 5.752 2.782 1.00 0.00 H new ATOM 0 HB3 MET A 99 10.473 6.326 1.822 1.00 0.00 H new ATOM 0 HG2 MET A 99 11.214 5.397 4.039 1.00 0.00 H new ATOM 0 HG3 MET A 99 11.672 7.077 3.841 1.00 0.00 H new ATOM 0 HE1 MET A 99 8.588 5.062 6.415 1.00 0.00 H new ATOM 0 HE2 MET A 99 7.760 5.806 5.027 1.00 0.00 H new ATOM 0 HE3 MET A 99 9.106 4.673 4.757 1.00 0.00 H new ATOM 1442 N TYR A 100 10.839 8.912 1.117 1.00 0.00 N ATOM 1443 CA TYR A 100 11.896 9.880 0.707 1.00 0.00 C ATOM 1444 C TYR A 100 11.368 11.316 0.559 1.00 0.00 C ATOM 1445 O TYR A 100 12.055 12.253 0.945 1.00 0.00 O ATOM 1446 CB TYR A 100 12.425 9.345 -0.629 1.00 0.00 C ATOM 1447 CG TYR A 100 13.196 8.057 -0.385 1.00 0.00 C ATOM 1448 CD1 TYR A 100 14.594 8.095 -0.106 1.00 0.00 C ATOM 1449 CD2 TYR A 100 12.521 6.800 -0.430 1.00 0.00 C ATOM 1450 CE1 TYR A 100 15.310 6.883 0.112 1.00 0.00 C ATOM 1451 CE2 TYR A 100 13.243 5.591 -0.209 1.00 0.00 C ATOM 1452 CZ TYR A 100 14.633 5.634 0.064 1.00 0.00 C ATOM 1453 OH TYR A 100 15.334 4.462 0.276 1.00 0.00 O ATOM 0 H TYR A 100 10.579 8.231 0.404 1.00 0.00 H new ATOM 0 HA TYR A 100 12.673 9.950 1.468 1.00 0.00 H new ATOM 0 HB2 TYR A 100 11.597 9.163 -1.314 1.00 0.00 H new ATOM 0 HB3 TYR A 100 13.071 10.086 -1.100 1.00 0.00 H new ATOM 0 HD1 TYR A 100 15.110 9.043 -0.060 1.00 0.00 H new ATOM 0 HD2 TYR A 100 11.461 6.765 -0.632 1.00 0.00 H new ATOM 0 HE1 TYR A 100 16.370 6.913 0.314 1.00 0.00 H new ATOM 0 HE2 TYR A 100 12.730 4.641 -0.250 1.00 0.00 H new ATOM 0 HH TYR A 100 14.723 3.699 0.210 1.00 0.00 H new ATOM 1463 N PRO A 101 10.192 11.501 -0.011 1.00 0.00 N ATOM 1464 CA PRO A 101 9.681 12.893 -0.184 1.00 0.00 C ATOM 1465 C PRO A 101 8.936 13.370 1.075 1.00 0.00 C ATOM 1466 O PRO A 101 7.817 12.873 1.314 1.00 0.00 O ATOM 1467 CB PRO A 101 8.734 12.748 -1.362 1.00 0.00 C ATOM 1468 CG PRO A 101 8.300 11.296 -1.368 1.00 0.00 C ATOM 1469 CD PRO A 101 9.259 10.500 -0.522 1.00 0.00 C ATOM 0 HA PRO A 101 10.467 13.630 -0.347 1.00 0.00 H new ATOM 0 HB2 PRO A 101 7.876 13.412 -1.258 1.00 0.00 H new ATOM 0 HB3 PRO A 101 9.229 13.012 -2.296 1.00 0.00 H new ATOM 0 HG2 PRO A 101 7.286 11.203 -0.978 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.286 10.910 -2.387 1.00 0.00 H new ATOM 0 HD2 PRO A 101 8.743 9.984 0.288 1.00 0.00 H new ATOM 0 HD3 PRO A 101 9.772 9.739 -1.109 1.00 0.00 H new ATOM 1477 N PRO A 102 9.513 14.315 1.834 1.00 0.00 N ATOM 1478 CA PRO A 102 8.792 14.798 2.976 1.00 0.00 C ATOM 1479 C PRO A 102 7.647 15.827 2.509 1.00 0.00 C ATOM 1480 O PRO A 102 8.002 16.596 1.637 1.00 0.00 O ATOM 1481 CB PRO A 102 9.919 15.515 3.798 1.00 0.00 C ATOM 1482 CG PRO A 102 10.944 15.920 2.778 1.00 0.00 C ATOM 1483 CD PRO A 102 10.831 14.966 1.646 1.00 0.00 C ATOM 0 HA PRO A 102 8.275 14.027 3.547 1.00 0.00 H new ATOM 0 HB2 PRO A 102 9.528 16.382 4.331 1.00 0.00 H new ATOM 0 HB3 PRO A 102 10.348 14.848 4.546 1.00 0.00 H new ATOM 0 HG2 PRO A 102 10.769 16.941 2.440 1.00 0.00 H new ATOM 0 HG3 PRO A 102 11.946 15.893 3.206 1.00 0.00 H new ATOM 0 HD2 PRO A 102 10.885 15.481 0.687 1.00 0.00 H new ATOM 0 HD3 PRO A 102 11.640 14.235 1.662 1.00 0.00 H new ATOM 1491 N PRO A 103 6.439 16.163 3.302 1.00 0.00 N ATOM 1492 CA PRO A 103 6.694 15.046 4.315 1.00 0.00 C ATOM 1493 C PRO A 103 6.058 13.659 3.930 1.00 0.00 C ATOM 1494 O PRO A 103 5.471 13.551 2.857 1.00 0.00 O ATOM 1495 CB PRO A 103 6.287 15.651 5.680 1.00 0.00 C ATOM 1496 CG PRO A 103 5.330 16.650 5.303 1.00 0.00 C ATOM 1497 CD PRO A 103 4.990 16.145 3.937 1.00 0.00 C ATOM 0 HA PRO A 103 7.741 14.745 4.346 1.00 0.00 H new ATOM 0 HB2 PRO A 103 5.853 14.902 6.343 1.00 0.00 H new ATOM 0 HB3 PRO A 103 7.140 16.083 6.203 1.00 0.00 H new ATOM 0 HG2 PRO A 103 4.467 16.679 5.968 1.00 0.00 H new ATOM 0 HG3 PRO A 103 5.754 17.654 5.287 1.00 0.00 H new ATOM 0 HD2 PRO A 103 4.549 15.148 3.954 1.00 0.00 H new ATOM 0 HD3 PRO A 103 4.291 16.794 3.410 1.00 0.00 H new ATOM 1505 N TYR A 104 6.206 12.710 4.767 1.00 0.00 N ATOM 1506 CA TYR A 104 5.651 11.371 4.496 1.00 0.00 C ATOM 1507 C TYR A 104 4.199 11.292 5.007 1.00 0.00 C ATOM 1508 O TYR A 104 3.891 11.544 6.157 1.00 0.00 O ATOM 1509 CB TYR A 104 6.589 10.375 5.221 1.00 0.00 C ATOM 1510 CG TYR A 104 5.955 8.993 5.279 1.00 0.00 C ATOM 1511 CD1 TYR A 104 5.223 8.503 4.172 1.00 0.00 C ATOM 1512 CD2 TYR A 104 6.107 8.187 6.442 1.00 0.00 C ATOM 1513 CE1 TYR A 104 4.594 7.232 4.240 1.00 0.00 C ATOM 1514 CE2 TYR A 104 5.487 6.902 6.512 1.00 0.00 C ATOM 1515 CZ TYR A 104 4.745 6.420 5.408 1.00 0.00 C ATOM 1516 OH TYR A 104 4.114 5.203 5.490 1.00 0.00 O ATOM 0 H TYR A 104 6.700 12.797 5.655 1.00 0.00 H new ATOM 0 HA TYR A 104 5.608 11.140 3.432 1.00 0.00 H new ATOM 0 HB2 TYR A 104 7.545 10.322 4.700 1.00 0.00 H new ATOM 0 HB3 TYR A 104 6.795 10.730 6.231 1.00 0.00 H new ATOM 0 HD1 TYR A 104 5.143 9.097 3.274 1.00 0.00 H new ATOM 0 HD2 TYR A 104 6.693 8.548 7.274 1.00 0.00 H new ATOM 0 HE1 TYR A 104 4.001 6.878 3.410 1.00 0.00 H new ATOM 0 HE2 TYR A 104 5.584 6.301 7.404 1.00 0.00 H new ATOM 0 HH TYR A 104 4.375 4.754 6.321 1.00 0.00 H new ATOM 1526 N TYR A 105 3.296 10.919 4.134 1.00 0.00 N ATOM 1527 CA TYR A 105 1.872 10.793 4.520 1.00 0.00 C ATOM 1528 C TYR A 105 1.167 9.704 3.689 1.00 0.00 C ATOM 1529 O TYR A 105 0.384 10.012 2.802 1.00 0.00 O ATOM 1530 CB TYR A 105 1.307 12.159 4.183 1.00 0.00 C ATOM 1531 CG TYR A 105 -0.126 12.262 4.650 1.00 0.00 C ATOM 1532 CD1 TYR A 105 -0.419 12.529 6.017 1.00 0.00 C ATOM 1533 CD2 TYR A 105 -1.178 12.096 3.720 1.00 0.00 C ATOM 1534 CE1 TYR A 105 -1.775 12.638 6.448 1.00 0.00 C ATOM 1535 CE2 TYR A 105 -2.534 12.201 4.146 1.00 0.00 C ATOM 1536 CZ TYR A 105 -2.833 12.469 5.512 1.00 0.00 C ATOM 1537 OH TYR A 105 -4.145 12.572 5.929 1.00 0.00 O ATOM 0 H TYR A 105 3.496 10.695 3.159 1.00 0.00 H new ATOM 0 HA TYR A 105 1.738 10.508 5.564 1.00 0.00 H new ATOM 0 HB2 TYR A 105 1.908 12.936 4.656 1.00 0.00 H new ATOM 0 HB3 TYR A 105 1.359 12.327 3.107 1.00 0.00 H new ATOM 0 HD1 TYR A 105 0.385 12.649 6.728 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -0.953 11.889 2.684 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -1.998 12.849 7.484 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -3.335 12.077 3.432 1.00 0.00 H new ATOM 0 HH TYR A 105 -4.743 12.431 5.165 1.00 0.00 H new ATOM 1547 N LEU A 106 1.429 8.464 3.975 1.00 0.00 N ATOM 1548 CA LEU A 106 0.762 7.352 3.216 1.00 0.00 C ATOM 1549 C LEU A 106 0.434 6.187 4.156 1.00 0.00 C ATOM 1550 O LEU A 106 0.199 6.393 5.335 1.00 0.00 O ATOM 1551 CB LEU A 106 1.771 6.920 2.147 1.00 0.00 C ATOM 1552 CG LEU A 106 1.085 6.818 0.782 1.00 0.00 C ATOM 1553 CD1 LEU A 106 0.575 8.197 0.359 1.00 0.00 C ATOM 1554 CD2 LEU A 106 2.101 6.315 -0.237 1.00 0.00 C ATOM 0 H LEU A 106 2.077 8.162 4.702 1.00 0.00 H new ATOM 0 HA LEU A 106 -0.180 7.672 2.770 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.589 7.638 2.098 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.207 5.958 2.416 1.00 0.00 H new ATOM 0 HG LEU A 106 0.242 6.130 0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.087 8.122 -0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -0.139 8.563 1.097 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.414 8.890 0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.627 6.237 -1.215 1.00 0.00 H new ATOM 0 HD22 LEU A 106 2.936 7.013 -0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.467 5.335 0.068 1.00 0.00 H new ATOM 1566 N GLY A 108 0.407 4.957 3.661 1.00 0.00 N ATOM 1567 CA GLY A 108 0.079 3.805 4.567 1.00 0.00 C ATOM 1568 C GLY A 108 0.401 2.453 3.914 1.00 0.00 C ATOM 1569 O GLY A 108 0.994 2.360 2.846 1.00 0.00 O ATOM 0 H GLY A 108 0.595 4.711 2.689 1.00 0.00 H new ATOM 0 HA2 GLY A 108 0.641 3.902 5.496 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -0.979 3.839 4.829 1.00 0.00 H new ATOM 1573 N ILE A 109 0.013 1.399 4.581 1.00 0.00 N ATOM 1574 CA ILE A 109 0.270 0.027 4.084 1.00 0.00 C ATOM 1575 C ILE A 109 -1.047 -0.633 3.669 1.00 0.00 C ATOM 1576 O ILE A 109 -2.085 -0.370 4.247 1.00 0.00 O ATOM 1577 CB ILE A 109 0.874 -0.686 5.275 1.00 0.00 C ATOM 1578 CG1 ILE A 109 2.197 -0.003 5.590 1.00 0.00 C ATOM 1579 CG2 ILE A 109 1.108 -2.164 4.945 1.00 0.00 C ATOM 1580 CD1 ILE A 109 2.815 -0.658 6.795 1.00 0.00 C ATOM 0 H ILE A 109 -0.483 1.439 5.471 1.00 0.00 H new ATOM 0 HA ILE A 109 0.922 0.003 3.211 1.00 0.00 H new ATOM 0 HB ILE A 109 0.202 -0.638 6.132 1.00 0.00 H new ATOM 0 HG12 ILE A 109 2.870 -0.076 4.736 1.00 0.00 H new ATOM 0 HG13 ILE A 109 2.036 1.058 5.780 1.00 0.00 H new ATOM 0 HG21 ILE A 109 1.543 -2.665 5.810 1.00 0.00 H new ATOM 0 HG22 ILE A 109 0.158 -2.635 4.692 1.00 0.00 H new ATOM 0 HG23 ILE A 109 1.790 -2.244 4.098 1.00 0.00 H new ATOM 0 HD11 ILE A 109 3.764 -0.173 7.026 1.00 0.00 H new ATOM 0 HD12 ILE A 109 2.141 -0.562 7.647 1.00 0.00 H new ATOM 0 HD13 ILE A 109 2.988 -1.714 6.586 1.00 0.00 H new ATOM 1592 N GLY A 110 -1.007 -1.505 2.699 1.00 0.00 N ATOM 1593 CA GLY A 110 -2.251 -2.204 2.280 1.00 0.00 C ATOM 1594 C GLY A 110 -2.584 -3.249 3.343 1.00 0.00 C ATOM 1595 O GLY A 110 -1.696 -3.847 3.924 1.00 0.00 O ATOM 0 H GLY A 110 -0.167 -1.762 2.180 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -3.071 -1.493 2.174 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -2.113 -2.679 1.309 1.00 0.00 H new ATOM 1599 N ASN A 111 -3.846 -3.467 3.617 1.00 0.00 N ATOM 1600 CA ASN A 111 -4.213 -4.470 4.661 1.00 0.00 C ATOM 1601 C ASN A 111 -3.683 -5.856 4.276 1.00 0.00 C ATOM 1602 O ASN A 111 -3.348 -6.658 5.127 1.00 0.00 O ATOM 1603 CB ASN A 111 -5.740 -4.468 4.735 1.00 0.00 C ATOM 1604 CG ASN A 111 -6.178 -5.084 6.071 1.00 0.00 C ATOM 1605 OD1 ASN A 111 -7.121 -5.846 6.133 1.00 0.00 O ATOM 1606 ND2 ASN A 111 -5.496 -4.756 7.145 1.00 0.00 N ATOM 0 H ASN A 111 -4.632 -2.998 3.167 1.00 0.00 H new ATOM 0 HA ASN A 111 -3.776 -4.222 5.628 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -6.120 -3.450 4.648 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -6.158 -5.036 3.904 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -4.707 -4.114 7.072 1.00 0.00 H new ATOM 1612 N GLY A 112 -3.585 -6.130 2.999 1.00 0.00 N ATOM 1613 CA GLY A 112 -3.054 -7.448 2.549 1.00 0.00 C ATOM 1614 C GLY A 112 -4.125 -8.259 1.820 1.00 0.00 C ATOM 1615 O GLY A 112 -5.272 -8.312 2.217 1.00 0.00 O ATOM 0 H GLY A 112 -3.852 -5.493 2.248 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -2.201 -7.292 1.889 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -2.693 -8.010 3.410 1.00 0.00 H new ATOM 1619 N THR A 113 -3.723 -8.920 0.770 1.00 0.00 N ATOM 1620 CA THR A 113 -4.656 -9.783 -0.009 1.00 0.00 C ATOM 1621 C THR A 113 -4.208 -11.229 0.155 1.00 0.00 C ATOM 1622 O THR A 113 -3.026 -11.497 0.283 1.00 0.00 O ATOM 1623 CB THR A 113 -4.466 -9.373 -1.476 1.00 0.00 C ATOM 1624 OG1 THR A 113 -4.837 -8.013 -1.646 1.00 0.00 O ATOM 1625 CG2 THR A 113 -5.321 -10.278 -2.384 1.00 0.00 C ATOM 0 H THR A 113 -2.768 -8.898 0.412 1.00 0.00 H new ATOM 0 HA THR A 113 -5.692 -9.680 0.314 1.00 0.00 H new ATOM 0 HB THR A 113 -3.418 -9.488 -1.751 1.00 0.00 H new ATOM 0 HG1 THR A 113 -5.777 -7.896 -1.393 1.00 0.00 H new ATOM 0 HG21 THR A 113 -5.183 -9.984 -3.424 1.00 0.00 H new ATOM 0 HG22 THR A 113 -5.013 -11.316 -2.257 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.372 -10.175 -2.114 1.00 0.00 H new ATOM 1633 N GLN A 114 -5.115 -12.161 0.102 1.00 0.00 N ATOM 1634 CA GLN A 114 -4.690 -13.581 0.202 1.00 0.00 C ATOM 1635 C GLN A 114 -4.411 -14.077 -1.213 1.00 0.00 C ATOM 1636 O GLN A 114 -5.156 -13.789 -2.126 1.00 0.00 O ATOM 1637 CB GLN A 114 -5.862 -14.346 0.836 1.00 0.00 C ATOM 1638 CG GLN A 114 -5.398 -15.749 1.220 1.00 0.00 C ATOM 1639 CD GLN A 114 -4.901 -15.755 2.666 1.00 0.00 C ATOM 1640 OE1 GLN A 114 -5.239 -14.886 3.445 1.00 0.00 O ATOM 1641 NE2 GLN A 114 -4.111 -16.715 3.060 1.00 0.00 N ATOM 0 H GLN A 114 -6.117 -12.005 -0.005 1.00 0.00 H new ATOM 0 HA GLN A 114 -3.793 -13.719 0.805 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -6.223 -13.816 1.717 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -6.695 -14.405 0.135 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -6.219 -16.457 1.105 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -4.601 -16.074 0.551 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -3.828 -17.444 2.405 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -3.776 -16.737 4.023 1.00 0.00 H new ATOM 1650 N ILE A 115 -3.353 -14.810 -1.417 1.00 0.00 N ATOM 1651 CA ILE A 115 -3.080 -15.320 -2.786 1.00 0.00 C ATOM 1652 C ILE A 115 -3.314 -16.834 -2.768 1.00 0.00 C ATOM 1653 O ILE A 115 -2.789 -17.534 -1.916 1.00 0.00 O ATOM 1654 CB ILE A 115 -1.617 -14.963 -3.102 1.00 0.00 C ATOM 1655 CG1 ILE A 115 -1.499 -13.440 -3.266 1.00 0.00 C ATOM 1656 CG2 ILE A 115 -1.182 -15.653 -4.402 1.00 0.00 C ATOM 1657 CD1 ILE A 115 -0.047 -13.054 -3.568 1.00 0.00 C ATOM 0 H ILE A 115 -2.674 -15.075 -0.704 1.00 0.00 H new ATOM 0 HA ILE A 115 -3.725 -14.886 -3.550 1.00 0.00 H new ATOM 0 HB ILE A 115 -0.975 -15.300 -2.288 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -2.149 -13.102 -4.073 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -1.834 -12.941 -2.357 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -0.145 -15.397 -4.621 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -1.272 -16.733 -4.288 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -1.819 -15.320 -5.221 1.00 0.00 H new ATOM 0 HD11 ILE A 115 0.026 -11.972 -3.682 1.00 0.00 H new ATOM 0 HD12 ILE A 115 0.593 -13.376 -2.747 1.00 0.00 H new ATOM 0 HD13 ILE A 115 0.274 -13.539 -4.490 1.00 0.00 H new ATOM 1669 N TYR A 116 -4.108 -17.338 -3.679 1.00 0.00 N ATOM 1670 CA TYR A 116 -4.394 -18.803 -3.696 1.00 0.00 C ATOM 1671 C TYR A 116 -3.589 -19.523 -4.771 1.00 0.00 C ATOM 1672 O TYR A 116 -3.452 -19.056 -5.886 1.00 0.00 O ATOM 1673 CB TYR A 116 -5.896 -18.941 -4.010 1.00 0.00 C ATOM 1674 CG TYR A 116 -6.780 -18.512 -2.838 1.00 0.00 C ATOM 1675 CD1 TYR A 116 -6.315 -18.592 -1.487 1.00 0.00 C ATOM 1676 CD2 TYR A 116 -8.110 -18.053 -3.092 1.00 0.00 C ATOM 1677 CE1 TYR A 116 -7.170 -18.223 -0.415 1.00 0.00 C ATOM 1678 CE2 TYR A 116 -8.955 -17.684 -2.017 1.00 0.00 C ATOM 1679 CZ TYR A 116 -8.489 -17.774 -0.678 1.00 0.00 C ATOM 1680 OH TYR A 116 -9.317 -17.416 0.366 1.00 0.00 O ATOM 0 H TYR A 116 -4.570 -16.798 -4.411 1.00 0.00 H new ATOM 0 HA TYR A 116 -4.122 -19.250 -2.740 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -6.138 -18.337 -4.884 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -6.117 -19.977 -4.267 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -5.311 -18.934 -1.282 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -8.472 -17.987 -4.108 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -6.815 -18.284 0.603 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -9.957 -17.333 -2.216 1.00 0.00 H new ATOM 0 HH TYR A 116 -10.185 -17.131 0.012 1.00 0.00 H new ATOM 1690 N VAL A 117 -3.100 -20.686 -4.442 1.00 0.00 N ATOM 1691 CA VAL A 117 -2.347 -21.500 -5.429 1.00 0.00 C ATOM 1692 C VAL A 117 -2.999 -22.875 -5.496 1.00 0.00 C ATOM 1693 O VAL A 117 -3.808 -23.230 -4.658 1.00 0.00 O ATOM 1694 CB VAL A 117 -0.910 -21.609 -4.912 1.00 0.00 C ATOM 1695 CG1 VAL A 117 -0.096 -22.515 -5.853 1.00 0.00 C ATOM 1696 CG2 VAL A 117 -0.276 -20.216 -4.875 1.00 0.00 C ATOM 0 H VAL A 117 -3.193 -21.110 -3.519 1.00 0.00 H new ATOM 0 HA VAL A 117 -2.350 -21.058 -6.425 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.915 -22.035 -3.909 1.00 0.00 H new ATOM 0 HG11 VAL A 117 0.928 -22.594 -5.487 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -0.548 -23.507 -5.884 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -0.091 -22.087 -6.855 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.747 -20.292 -4.507 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -0.270 -19.792 -5.879 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -0.853 -19.571 -4.212 1.00 0.00 H new ATOM 1706 N ILE A 118 -2.666 -23.635 -6.490 1.00 0.00 N ATOM 1707 CA ILE A 118 -3.271 -24.981 -6.641 1.00 0.00 C ATOM 1708 C ILE A 118 -2.311 -26.061 -6.129 1.00 0.00 C ATOM 1709 O ILE A 118 -1.208 -26.207 -6.621 1.00 0.00 O ATOM 1710 CB ILE A 118 -3.484 -25.103 -8.147 1.00 0.00 C ATOM 1711 CG1 ILE A 118 -4.343 -23.937 -8.687 1.00 0.00 C ATOM 1712 CG2 ILE A 118 -4.161 -26.434 -8.473 1.00 0.00 C ATOM 1713 CD1 ILE A 118 -5.599 -23.761 -7.834 1.00 0.00 C ATOM 0 H ILE A 118 -1.993 -23.381 -7.214 1.00 0.00 H new ATOM 0 HA ILE A 118 -4.193 -25.108 -6.073 1.00 0.00 H new ATOM 0 HB ILE A 118 -2.507 -25.062 -8.629 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -3.761 -23.016 -8.683 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -4.623 -24.132 -9.722 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -4.309 -26.513 -9.550 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -3.531 -27.256 -8.132 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -5.126 -26.484 -7.969 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -6.193 -22.936 -8.227 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -6.188 -24.678 -7.861 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -5.312 -23.544 -6.805 1.00 0.00 H new ATOM 1725 N ASP A 119 -2.729 -26.816 -5.144 1.00 0.00 N ATOM 1726 CA ASP A 119 -1.852 -27.890 -4.589 1.00 0.00 C ATOM 1727 C ASP A 119 -2.702 -29.090 -4.132 1.00 0.00 C ATOM 1728 O ASP A 119 -3.768 -28.904 -3.579 1.00 0.00 O ATOM 1729 CB ASP A 119 -1.149 -27.248 -3.393 1.00 0.00 C ATOM 1730 CG ASP A 119 -0.142 -28.236 -2.801 1.00 0.00 C ATOM 1731 OD1 ASP A 119 0.939 -28.353 -3.355 1.00 0.00 O ATOM 1732 OD2 ASP A 119 -0.468 -28.859 -1.805 1.00 0.00 O ATOM 0 H ASP A 119 -3.643 -26.734 -4.699 1.00 0.00 H new ATOM 0 HA ASP A 119 -1.143 -28.265 -5.327 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -0.640 -26.336 -3.704 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -1.881 -26.963 -2.638 1.00 0.00 H new ATOM 1737 N PRO A 120 -2.210 -30.290 -4.368 1.00 0.00 N ATOM 1738 CA PRO A 120 -2.963 -31.504 -3.957 1.00 0.00 C ATOM 1739 C PRO A 120 -2.966 -31.637 -2.430 1.00 0.00 C ATOM 1740 O PRO A 120 -2.139 -31.062 -1.749 1.00 0.00 O ATOM 1741 CB PRO A 120 -2.188 -32.649 -4.606 1.00 0.00 C ATOM 1742 CG PRO A 120 -0.804 -32.119 -4.791 1.00 0.00 C ATOM 1743 CD PRO A 120 -0.935 -30.637 -5.021 1.00 0.00 C ATOM 0 HA PRO A 120 -4.009 -31.484 -4.262 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -2.190 -33.536 -3.973 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -2.632 -32.936 -5.559 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -0.191 -32.322 -3.912 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -0.315 -32.600 -5.638 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -0.100 -30.089 -4.584 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -0.952 -30.397 -6.084 1.00 0.00 H new ATOM 1751 N GLU A 121 -3.892 -32.392 -1.892 1.00 0.00 N ATOM 1752 CA GLU A 121 -3.953 -32.567 -0.409 1.00 0.00 C ATOM 1753 C GLU A 121 -3.033 -33.723 0.028 1.00 0.00 C ATOM 1754 O GLU A 121 -3.280 -34.859 -0.323 1.00 0.00 O ATOM 1755 CB GLU A 121 -5.414 -32.912 -0.116 1.00 0.00 C ATOM 1756 CG GLU A 121 -6.306 -31.729 -0.500 1.00 0.00 C ATOM 1757 CD GLU A 121 -7.776 -32.107 -0.302 1.00 0.00 C ATOM 1758 OE1 GLU A 121 -8.101 -33.269 -0.486 1.00 0.00 O ATOM 1759 OE2 GLU A 121 -8.554 -31.227 0.028 1.00 0.00 O ATOM 0 H GLU A 121 -4.608 -32.894 -2.416 1.00 0.00 H new ATOM 0 HA GLU A 121 -3.624 -31.677 0.127 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -5.708 -33.800 -0.676 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -5.538 -33.146 0.941 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -6.058 -30.861 0.111 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -6.129 -31.449 -1.539 1.00 0.00 H new ATOM 1766 N PRO A 122 -1.997 -33.409 0.783 1.00 0.00 N ATOM 1767 CA PRO A 122 -1.060 -34.468 1.246 1.00 0.00 C ATOM 1768 C PRO A 122 -1.722 -35.385 2.288 1.00 0.00 C ATOM 1769 O PRO A 122 -1.189 -36.426 2.623 1.00 0.00 O ATOM 1770 CB PRO A 122 0.092 -33.683 1.870 1.00 0.00 C ATOM 1771 CG PRO A 122 -0.506 -32.373 2.266 1.00 0.00 C ATOM 1772 CD PRO A 122 -1.596 -32.078 1.272 1.00 0.00 C ATOM 0 HA PRO A 122 -0.741 -35.125 0.437 1.00 0.00 H new ATOM 0 HB2 PRO A 122 0.505 -34.206 2.733 1.00 0.00 H new ATOM 0 HB3 PRO A 122 0.908 -33.547 1.160 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -0.908 -32.421 3.278 1.00 0.00 H new ATOM 0 HG3 PRO A 122 0.248 -31.586 2.259 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -2.431 -31.555 1.738 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -1.237 -31.445 0.460 1.00 0.00 H new ATOM 1780 N CYS A 123 -2.869 -35.010 2.805 1.00 0.00 N ATOM 1781 CA CYS A 123 -3.548 -35.866 3.826 1.00 0.00 C ATOM 1782 C CYS A 123 -4.678 -36.684 3.175 1.00 0.00 C ATOM 1783 O CYS A 123 -5.438 -36.152 2.391 1.00 0.00 O ATOM 1784 CB CYS A 123 -4.120 -34.882 4.847 1.00 0.00 C ATOM 1785 SG CYS A 123 -2.765 -33.997 5.657 1.00 0.00 S ATOM 0 H CYS A 123 -3.362 -34.150 2.564 1.00 0.00 H new ATOM 0 HA CYS A 123 -2.865 -36.581 4.284 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.786 -34.175 4.353 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -4.715 -35.415 5.588 1.00 0.00 H new ATOM 0 HG CYS A 123 -3.251 -33.159 6.524 1.00 0.00 H new ATOM 1791 N PRO A 124 -4.763 -37.956 3.514 1.00 0.00 N ATOM 1792 CA PRO A 124 -5.827 -38.817 2.932 1.00 0.00 C ATOM 1793 C PRO A 124 -7.213 -38.424 3.467 1.00 0.00 C ATOM 1794 O PRO A 124 -8.224 -38.863 2.952 1.00 0.00 O ATOM 1795 CB PRO A 124 -5.444 -40.223 3.390 1.00 0.00 C ATOM 1796 CG PRO A 124 -4.630 -40.017 4.625 1.00 0.00 C ATOM 1797 CD PRO A 124 -3.909 -38.708 4.452 1.00 0.00 C ATOM 0 HA PRO A 124 -5.894 -38.727 1.848 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -6.328 -40.826 3.596 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -4.873 -40.746 2.623 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -5.267 -39.994 5.509 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -3.922 -40.834 4.763 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -3.799 -38.183 5.401 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -2.906 -38.854 4.051 1.00 0.00 H new ATOM 1805 N ASP A 125 -7.271 -37.607 4.493 1.00 0.00 N ATOM 1806 CA ASP A 125 -8.593 -37.196 5.054 1.00 0.00 C ATOM 1807 C ASP A 125 -8.517 -35.772 5.617 1.00 0.00 C ATOM 1808 O ASP A 125 -7.454 -35.186 5.702 1.00 0.00 O ATOM 1809 CB ASP A 125 -8.887 -38.215 6.165 1.00 0.00 C ATOM 1810 CG ASP A 125 -7.825 -38.134 7.277 1.00 0.00 C ATOM 1811 OD1 ASP A 125 -6.882 -37.372 7.129 1.00 0.00 O ATOM 1812 OD2 ASP A 125 -7.978 -38.840 8.260 1.00 0.00 O ATOM 0 H ASP A 125 -6.459 -37.209 4.964 1.00 0.00 H new ATOM 0 HA ASP A 125 -9.378 -37.186 4.298 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -9.875 -38.027 6.585 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -8.905 -39.221 5.746 1.00 0.00 H new ATOM 1817 N SER A 126 -9.638 -35.216 6.001 1.00 0.00 N ATOM 1818 CA SER A 126 -9.641 -33.830 6.559 1.00 0.00 C ATOM 1819 C SER A 126 -10.544 -33.758 7.794 1.00 0.00 C ATOM 1820 O SER A 126 -11.403 -34.596 7.995 1.00 0.00 O ATOM 1821 CB SER A 126 -10.198 -32.954 5.438 1.00 0.00 C ATOM 1822 OG SER A 126 -11.542 -33.331 5.172 1.00 0.00 O ATOM 0 H SER A 126 -10.553 -35.663 5.952 1.00 0.00 H new ATOM 0 HA SER A 126 -8.648 -33.509 6.873 1.00 0.00 H new ATOM 0 HB2 SER A 126 -10.153 -31.903 5.725 1.00 0.00 H new ATOM 0 HB3 SER A 126 -9.592 -33.065 4.539 1.00 0.00 H new ATOM 0 HG SER A 126 -11.903 -32.770 4.454 1.00 0.00 H new ATOM 1828 N ASP A 127 -10.352 -32.762 8.621 1.00 0.00 N ATOM 1829 CA ASP A 127 -11.194 -32.626 9.850 1.00 0.00 C ATOM 1830 C ASP A 127 -12.595 -32.130 9.481 1.00 0.00 C ATOM 1831 O ASP A 127 -12.749 -31.177 8.740 1.00 0.00 O ATOM 1832 CB ASP A 127 -10.470 -31.592 10.720 1.00 0.00 C ATOM 1833 CG ASP A 127 -11.161 -31.469 12.087 1.00 0.00 C ATOM 1834 OD1 ASP A 127 -12.261 -31.981 12.234 1.00 0.00 O ATOM 1835 OD2 ASP A 127 -10.576 -30.857 12.965 1.00 0.00 O ATOM 0 H ASP A 127 -9.647 -32.035 8.499 1.00 0.00 H new ATOM 0 HA ASP A 127 -11.320 -33.576 10.368 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -9.429 -31.886 10.856 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -10.465 -30.624 10.219 1.00 0.00 H new ATOM 1840 N GLN A 128 -13.614 -32.770 9.996 1.00 0.00 N ATOM 1841 CA GLN A 128 -15.010 -32.343 9.684 1.00 0.00 C ATOM 1842 C GLN A 128 -15.746 -31.958 10.970 1.00 0.00 C ATOM 1843 O GLN A 128 -15.520 -32.530 12.019 1.00 0.00 O ATOM 1844 CB GLN A 128 -15.664 -33.566 9.037 1.00 0.00 C ATOM 1845 CG GLN A 128 -14.958 -33.891 7.716 1.00 0.00 C ATOM 1846 CD GLN A 128 -15.155 -32.738 6.727 1.00 0.00 C ATOM 1847 OE1 GLN A 128 -16.090 -31.971 6.847 1.00 0.00 O ATOM 1848 NE2 GLN A 128 -14.307 -32.584 5.748 1.00 0.00 N ATOM 0 H GLN A 128 -13.538 -33.572 10.621 1.00 0.00 H new ATOM 0 HA GLN A 128 -15.038 -31.472 9.030 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -15.606 -34.421 9.711 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -16.722 -33.373 8.857 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -13.895 -34.054 7.892 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -15.357 -34.814 7.297 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -13.522 -33.228 5.647 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -14.429 -31.820 5.083 1.00 0.00 H new ATOM 1857 N GLU A 129 -16.630 -30.991 10.895 1.00 0.00 N ATOM 1858 CA GLU A 129 -17.397 -30.553 12.109 1.00 0.00 C ATOM 1859 C GLU A 129 -16.445 -30.232 13.280 1.00 0.00 C ATOM 1860 O GLU A 129 -16.644 -30.715 14.377 1.00 0.00 O ATOM 1861 CB GLU A 129 -18.305 -31.737 12.461 1.00 0.00 C ATOM 1862 CG GLU A 129 -19.305 -31.976 11.326 1.00 0.00 C ATOM 1863 CD GLU A 129 -20.234 -30.767 11.194 1.00 0.00 C ATOM 1864 OE1 GLU A 129 -20.918 -30.462 12.157 1.00 0.00 O ATOM 1865 OE2 GLU A 129 -20.244 -30.166 10.132 1.00 0.00 O ATOM 0 H GLU A 129 -16.856 -30.482 10.040 1.00 0.00 H new ATOM 0 HA GLU A 129 -17.966 -29.643 11.918 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -17.705 -32.632 12.624 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -18.837 -31.536 13.391 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -18.773 -32.142 10.389 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -19.888 -32.875 11.526 1.00 0.00 H new ATOM 1872 N PRO A 130 -15.436 -29.425 13.019 1.00 0.00 N ATOM 1873 CA PRO A 130 -14.467 -29.070 14.089 1.00 0.00 C ATOM 1874 C PRO A 130 -15.130 -28.156 15.125 1.00 0.00 C ATOM 1875 O PRO A 130 -15.999 -27.368 14.807 1.00 0.00 O ATOM 1876 CB PRO A 130 -13.356 -28.334 13.342 1.00 0.00 C ATOM 1877 CG PRO A 130 -14.009 -27.804 12.108 1.00 0.00 C ATOM 1878 CD PRO A 130 -15.097 -28.777 11.740 1.00 0.00 C ATOM 0 HA PRO A 130 -14.098 -29.936 14.639 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -12.940 -27.528 13.946 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -12.533 -29.005 13.096 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -14.422 -26.811 12.285 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -13.286 -27.708 11.298 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -15.959 -28.269 11.308 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -14.753 -29.502 11.003 1.00 0.00 H new ATOM 1886 N LYS A 131 -14.720 -28.256 16.368 1.00 0.00 N ATOM 1887 CA LYS A 131 -15.313 -27.398 17.448 1.00 0.00 C ATOM 1888 C LYS A 131 -16.846 -27.468 17.425 1.00 0.00 C ATOM 1889 O LYS A 131 -17.517 -26.847 18.225 1.00 0.00 O ATOM 1890 CB LYS A 131 -14.835 -25.977 17.142 1.00 0.00 C ATOM 1891 CG LYS A 131 -13.315 -25.907 17.298 1.00 0.00 C ATOM 1892 CD LYS A 131 -12.845 -24.465 17.090 1.00 0.00 C ATOM 1893 CE LYS A 131 -11.338 -24.378 17.344 1.00 0.00 C ATOM 1894 NZ LYS A 131 -11.006 -22.934 17.193 1.00 0.00 N ATOM 0 H LYS A 131 -13.995 -28.900 16.684 1.00 0.00 H new ATOM 0 HA LYS A 131 -15.004 -27.729 18.439 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -15.121 -25.696 16.128 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -15.314 -25.267 17.817 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -13.024 -26.256 18.289 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -12.834 -26.565 16.574 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -13.073 -24.140 16.075 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -13.378 -23.796 17.766 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -11.084 -24.740 18.340 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -10.782 -24.988 16.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -9.988 -22.793 17.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -11.253 -22.620 16.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -11.545 -22.379 17.888 1.00 0.00 H new TER 1908 LYS A 131 HETATM 1909 C1 NAG A 132 -4.834 -5.779 7.928 1.00 0.00 C HETATM 1910 C2 NAG A 132 -3.569 -5.203 8.572 1.00 0.00 C HETATM 1911 C3 NAG A 132 -2.883 -6.260 9.429 1.00 0.00 C HETATM 1912 C4 NAG A 132 -3.868 -6.870 10.426 1.00 0.00 C HETATM 1913 C5 NAG A 132 -5.132 -7.349 9.707 1.00 0.00 C HETATM 1914 C6 NAG A 132 -6.192 -7.825 10.677 1.00 0.00 C HETATM 1915 C7 NAG A 132 -1.939 -3.658 7.744 1.00 0.00 C HETATM 1916 C8 NAG A 132 -1.161 -3.098 6.561 1.00 0.00 C HETATM 1917 N2 NAG A 132 -2.651 -4.741 7.548 1.00 0.00 N HETATM 1918 O3 NAG A 132 -1.796 -5.672 10.127 1.00 0.00 O HETATM 1919 O4 NAG A 132 -3.249 -7.989 11.092 1.00 0.00 O HETATM 1920 O5 NAG A 132 -5.711 -6.275 8.942 1.00 0.00 O HETATM 1921 O6 NAG A 132 -6.996 -6.706 11.109 1.00 0.00 O HETATM 1922 O7 NAG A 132 -1.902 -3.123 8.835 1.00 0.00 O HETATM 0 HO3 NAG A 132 -1.624 -6.177 10.949 1.00 0.00 H new HETATM 0 HN2 NAG A 132 -2.559 -5.260 6.674 1.00 0.00 H new HETATM 0 H83 NAG A 132 -0.452 -3.845 6.205 1.00 0.00 H new HETATM 0 H82 NAG A 132 -1.853 -2.843 5.758 1.00 0.00 H new HETATM 0 H81 NAG A 132 -0.621 -2.204 6.871 1.00 0.00 H new HETATM 0 H62 NAG A 132 -6.823 -8.576 10.201 1.00 0.00 H new HETATM 0 H61 NAG A 132 -5.723 -8.302 11.538 1.00 0.00 H new HETATM 0 H5 NAG A 132 -4.825 -8.174 9.065 1.00 0.00 H new HETATM 0 H4 NAG A 132 -4.142 -6.108 11.155 1.00 0.00 H new HETATM 0 H3 NAG A 132 -2.515 -7.053 8.778 1.00 0.00 H new HETATM 0 H2 NAG A 132 -3.857 -4.362 9.203 1.00 0.00 H new HETATM 1935 C1 NAG A 133 -2.859 -7.794 12.407 1.00 0.00 C HETATM 1936 C2 NAG A 133 -2.044 -9.000 12.874 1.00 0.00 C HETATM 1937 C3 NAG A 133 -1.457 -8.756 14.263 1.00 0.00 C HETATM 1938 C4 NAG A 133 -0.713 -7.426 14.302 1.00 0.00 C HETATM 1939 C5 NAG A 133 -1.608 -6.303 13.787 1.00 0.00 C HETATM 1940 C6 NAG A 133 -0.876 -4.979 13.714 1.00 0.00 C HETATM 1941 C7 NAG A 133 -3.907 -10.251 13.702 1.00 0.00 C HETATM 1942 C8 NAG A 133 -5.292 -10.162 13.081 1.00 0.00 C HETATM 1943 N2 NAG A 133 -2.881 -10.185 12.895 1.00 0.00 N HETATM 1944 O3 NAG A 133 -0.564 -9.809 14.594 1.00 0.00 O HETATM 1945 O4 NAG A 133 -0.308 -7.138 15.655 1.00 0.00 O HETATM 1946 O5 NAG A 133 -2.063 -6.608 12.457 1.00 0.00 O HETATM 1947 O6 NAG A 133 -1.656 -3.997 13.049 1.00 0.00 O HETATM 1948 O7 NAG A 133 -3.758 -10.381 14.900 1.00 0.00 O HETATM 0 HO6 NAG A 133 -2.284 -4.436 12.438 1.00 0.00 H new HETATM 0 HO3 NAG A 133 -0.187 -9.650 15.485 1.00 0.00 H new HETATM 0 HN2 NAG A 133 -2.668 -10.969 12.278 1.00 0.00 H new HETATM 0 H83 NAG A 133 -5.396 -9.211 12.559 1.00 0.00 H new HETATM 0 H82 NAG A 133 -5.427 -10.981 12.374 1.00 0.00 H new HETATM 0 H81 NAG A 133 -6.047 -10.230 13.864 1.00 0.00 H new HETATM 0 H62 NAG A 133 -0.637 -4.637 14.721 1.00 0.00 H new HETATM 0 H61 NAG A 133 0.070 -5.112 13.190 1.00 0.00 H new HETATM 0 H5 NAG A 133 -2.439 -6.221 14.488 1.00 0.00 H new HETATM 0 H4 NAG A 133 0.168 -7.496 13.663 1.00 0.00 H new HETATM 0 H3 NAG A 133 -2.272 -8.724 14.986 1.00 0.00 H new HETATM 0 H2 NAG A 133 -1.222 -9.149 12.174 1.00 0.00 H new HETATM 1962 C1 FUL A 134 -8.333 -7.045 11.381 1.00 0.00 C HETATM 1963 C2 FUL A 134 -8.373 -7.958 12.595 1.00 0.00 C HETATM 1964 O2 FUL A 134 -7.791 -9.220 12.302 1.00 0.00 O HETATM 1965 C3 FUL A 134 -7.596 -7.249 13.702 1.00 0.00 C HETATM 1966 O3 FUL A 134 -7.656 -8.022 14.892 1.00 0.00 O HETATM 1967 C4 FUL A 134 -8.199 -5.856 13.965 1.00 0.00 C HETATM 1968 O4 FUL A 134 -9.439 -6.010 14.640 1.00 0.00 O HETATM 1969 C5 FUL A 134 -8.435 -5.058 12.669 1.00 0.00 C HETATM 1970 C6 FUL A 134 -9.322 -3.848 12.886 1.00 0.00 C HETATM 1971 O5 FUL A 134 -9.087 -5.894 11.695 1.00 0.00 O HETATM 0 HO4 FUL A 134 -9.596 -5.233 15.217 1.00 0.00 H new HETATM 0 HO3 FUL A 134 -8.320 -7.635 15.500 1.00 0.00 H new HETATM 0 HO2 FUL A 134 -8.099 -9.882 12.956 1.00 0.00 H new HETATM 0 H63 FUL A 134 -10.293 -4.171 13.262 1.00 0.00 H new HETATM 0 H62 FUL A 134 -8.856 -3.180 13.611 1.00 0.00 H new HETATM 0 H61 FUL A 134 -9.456 -3.321 11.941 1.00 0.00 H new HETATM 0 H5 FUL A 134 -7.455 -4.725 12.328 1.00 0.00 H new HETATM 0 H4 FUL A 134 -7.484 -5.299 14.570 1.00 0.00 H new HETATM 0 H3 FUL A 134 -6.558 -7.134 13.390 1.00 0.00 H new HETATM 0 H2 FUL A 134 -9.402 -8.150 12.900 1.00 0.00 H new HETATM 1983 C1 BMA A 135 1.058 -7.137 15.895 1.00 0.00 C HETATM 1984 C2 BMA A 135 1.619 -5.742 15.650 1.00 0.00 C HETATM 1985 C3 BMA A 135 3.103 -5.703 16.002 1.00 0.00 C HETATM 1986 C4 BMA A 135 3.325 -6.230 17.416 1.00 0.00 C HETATM 1987 C5 BMA A 135 2.665 -7.595 17.591 1.00 0.00 C HETATM 1988 C6 BMA A 135 2.753 -8.098 19.018 1.00 0.00 C HETATM 1989 O2 BMA A 135 0.916 -4.797 16.443 1.00 0.00 O HETATM 1990 O3 BMA A 135 3.580 -4.369 15.909 1.00 0.00 O HETATM 1991 O4 BMA A 135 4.718 -6.341 17.668 1.00 0.00 O HETATM 1992 O5 BMA A 135 1.267 -7.527 17.253 1.00 0.00 O HETATM 1993 O6 BMA A 135 2.932 -9.506 19.057 1.00 0.00 O HETATM 0 HO6 BMA A 135 2.987 -9.803 19.989 1.00 0.00 H new HETATM 0 HO4 BMA A 135 4.909 -6.048 18.583 1.00 0.00 H new HETATM 0 HO3 BMA A 135 4.533 -4.346 16.137 1.00 0.00 H new HETATM 0 HO2 BMA A 135 1.541 -4.118 16.774 1.00 0.00 H new HETATM 0 H62 BMA A 135 3.583 -7.609 19.528 1.00 0.00 H new HETATM 0 H61 BMA A 135 1.845 -7.829 19.558 1.00 0.00 H new HETATM 0 H5 BMA A 135 3.201 -8.276 16.930 1.00 0.00 H new HETATM 0 H4 BMA A 135 2.876 -5.532 18.123 1.00 0.00 H new HETATM 0 H3 BMA A 135 3.649 -6.335 15.301 1.00 0.00 H new HETATM 0 H2 BMA A 135 1.498 -5.493 14.596 1.00 0.00 H new HETATM 2005 C1 NAG A 136 -0.602 -6.153 -13.141 1.00 0.00 C HETATM 2006 C2 NAG A 136 -1.830 -7.007 -13.435 1.00 0.00 C HETATM 2007 C3 NAG A 136 -1.591 -7.888 -14.655 1.00 0.00 C HETATM 2008 C4 NAG A 136 -1.116 -7.039 -15.829 1.00 0.00 C HETATM 2009 C5 NAG A 136 0.075 -6.171 -15.426 1.00 0.00 C HETATM 2010 C6 NAG A 136 0.496 -5.221 -16.532 1.00 0.00 C HETATM 2011 C7 NAG A 136 -3.380 -8.116 -11.995 1.00 0.00 C HETATM 2012 C8 NAG A 136 -3.784 -9.581 -11.992 1.00 0.00 C HETATM 2013 N2 NAG A 136 -2.138 -7.836 -12.286 1.00 0.00 N HETATM 2014 O3 NAG A 136 -2.795 -8.555 -15.005 1.00 0.00 O HETATM 2015 O4 NAG A 136 -0.761 -7.887 -16.940 1.00 0.00 O HETATM 2016 O5 NAG A 136 -0.257 -5.364 -14.282 1.00 0.00 O HETATM 2017 O6 NAG A 136 -0.295 -4.017 -16.464 1.00 0.00 O HETATM 2018 O7 NAG A 136 -4.178 -7.238 -11.736 1.00 0.00 O HETATM 0 HO3 NAG A 136 -2.803 -8.732 -15.969 1.00 0.00 H new HETATM 0 HN2 NAG A 136 -1.384 -8.201 -11.704 1.00 0.00 H new HETATM 0 H83 NAG A 136 -3.616 -10.007 -12.981 1.00 0.00 H new HETATM 0 H82 NAG A 136 -3.186 -10.122 -11.258 1.00 0.00 H new HETATM 0 H81 NAG A 136 -4.840 -9.667 -11.734 1.00 0.00 H new HETATM 0 H62 NAG A 136 1.554 -4.979 -16.434 1.00 0.00 H new HETATM 0 H61 NAG A 136 0.367 -5.698 -17.503 1.00 0.00 H new HETATM 0 H5 NAG A 136 0.891 -6.860 -15.206 1.00 0.00 H new HETATM 0 H4 NAG A 136 -1.931 -6.381 -16.130 1.00 0.00 H new HETATM 0 H3 NAG A 136 -0.824 -8.625 -14.416 1.00 0.00 H new HETATM 0 H2 NAG A 136 -2.671 -6.346 -13.642 1.00 0.00 H new HETATM 2031 C1 NAG A 137 0.371 -8.665 -16.774 1.00 0.00 C HETATM 2032 C2 NAG A 137 0.086 -10.103 -17.192 1.00 0.00 C HETATM 2033 C3 NAG A 137 1.358 -10.939 -17.086 1.00 0.00 C HETATM 2034 C4 NAG A 137 2.512 -10.269 -17.829 1.00 0.00 C HETATM 2035 C5 NAG A 137 2.657 -8.808 -17.407 1.00 0.00 C HETATM 2036 C6 NAG A 137 3.695 -8.073 -18.232 1.00 0.00 C HETATM 2037 C7 NAG A 137 -1.414 -11.860 -16.588 1.00 0.00 C HETATM 2038 C8 NAG A 137 -0.976 -12.985 -15.664 1.00 0.00 C HETATM 2039 N2 NAG A 137 -0.944 -10.667 -16.342 1.00 0.00 N HETATM 2040 O3 NAG A 137 1.129 -12.229 -17.633 1.00 0.00 O HETATM 2041 O4 NAG A 137 3.738 -10.972 -17.550 1.00 0.00 O HETATM 2042 O5 NAG A 137 1.411 -8.112 -17.580 1.00 0.00 O HETATM 2043 O6 NAG A 137 3.232 -7.847 -19.555 1.00 0.00 O HETATM 2044 O7 NAG A 137 -2.169 -12.060 -17.518 1.00 0.00 O HETATM 0 HO6 NAG A 137 2.260 -7.724 -19.545 1.00 0.00 H new HETATM 0 HO3 NAG A 137 1.804 -12.853 -17.293 1.00 0.00 H new HETATM 0 HN2 NAG A 137 -1.302 -10.131 -15.551 1.00 0.00 H new HETATM 0 H83 NAG A 137 0.109 -13.087 -15.703 1.00 0.00 H new HETATM 0 H82 NAG A 137 -1.282 -12.757 -14.643 1.00 0.00 H new HETATM 0 H81 NAG A 137 -1.440 -13.919 -15.982 1.00 0.00 H new HETATM 0 H62 NAG A 137 3.932 -7.120 -17.759 1.00 0.00 H new HETATM 0 H61 NAG A 137 4.618 -8.652 -18.261 1.00 0.00 H new HETATM 0 H5 NAG A 137 2.965 -8.822 -16.361 1.00 0.00 H new HETATM 0 H4 NAG A 137 2.299 -10.302 -18.898 1.00 0.00 H new HETATM 0 H3 NAG A 137 1.626 -11.026 -16.033 1.00 0.00 H new HETATM 0 H2 NAG A 137 -0.259 -10.110 -18.226 1.00 0.00 H new HETATM 2058 C1 FUC A 138 -0.835 -3.669 -17.707 1.00 0.00 C HETATM 2059 C2 FUC A 138 -1.542 -2.332 -17.573 1.00 0.00 C HETATM 2060 C3 FUC A 138 -0.526 -1.342 -17.009 1.00 0.00 C HETATM 2061 C4 FUC A 138 0.725 -1.291 -17.904 1.00 0.00 C HETATM 2062 C5 FUC A 138 1.258 -2.695 -18.242 1.00 0.00 C HETATM 2063 C6 FUC A 138 2.287 -2.668 -19.355 1.00 0.00 C HETATM 2064 O2 FUC A 138 -2.655 -2.450 -16.699 1.00 0.00 O HETATM 2065 O3 FUC A 138 -1.111 -0.049 -16.943 1.00 0.00 O HETATM 2066 O4 FUC A 138 0.403 -0.619 -19.112 1.00 0.00 O HETATM 2067 O5 FUC A 138 0.176 -3.531 -18.684 1.00 0.00 O HETATM 0 HO4 FUC A 138 1.200 -0.163 -19.455 1.00 0.00 H new HETATM 0 HO3 FUC A 138 -0.808 0.486 -17.706 1.00 0.00 H new HETATM 0 HO2 FUC A 138 -3.102 -1.581 -16.619 1.00 0.00 H new HETATM 0 H63 FUC A 138 1.837 -2.252 -20.257 1.00 0.00 H new HETATM 0 H62 FUC A 138 3.133 -2.050 -19.054 1.00 0.00 H new HETATM 0 H61 FUC A 138 2.632 -3.682 -19.556 1.00 0.00 H new HETATM 0 H5 FUC A 138 1.722 -3.080 -17.334 1.00 0.00 H new HETATM 0 H4 FUC A 138 1.504 -0.761 -17.355 1.00 0.00 H new HETATM 0 H3 FUC A 138 -0.234 -1.667 -16.010 1.00 0.00 H new HETATM 0 H2 FUC A 138 -1.916 -1.993 -18.539 1.00 0.00 H new HETATM 2079 C1 BMA A 139 4.106 -11.941 -18.467 1.00 0.00 C HETATM 2080 C2 BMA A 139 4.993 -11.318 -19.543 1.00 0.00 C HETATM 2081 C3 BMA A 139 5.521 -12.389 -20.493 1.00 0.00 C HETATM 2082 C4 BMA A 139 6.175 -13.522 -19.706 1.00 0.00 C HETATM 2083 C5 BMA A 139 5.222 -14.035 -18.631 1.00 0.00 C HETATM 2084 C6 BMA A 139 5.834 -15.107 -17.763 1.00 0.00 C HETATM 2085 O2 BMA A 139 6.084 -10.646 -18.930 1.00 0.00 O HETATM 2086 O3 BMA A 139 6.469 -11.816 -21.380 1.00 0.00 O HETATM 2087 O4 BMA A 139 6.513 -14.582 -20.588 1.00 0.00 O HETATM 2088 O5 BMA A 139 4.825 -12.957 -17.766 1.00 0.00 O HETATM 2089 O6 BMA A 139 5.534 -16.404 -18.259 1.00 0.00 O HETATM 0 HO6 BMA A 139 5.944 -17.079 -17.679 1.00 0.00 H new HETATM 0 HO4 BMA A 139 7.197 -15.148 -20.173 1.00 0.00 H new HETATM 0 HO3 BMA A 139 6.808 -12.506 -21.988 1.00 0.00 H new HETATM 0 HO2 BMA A 139 6.871 -10.703 -19.511 1.00 0.00 H new HETATM 0 H62 BMA A 139 6.915 -14.972 -17.722 1.00 0.00 H new HETATM 0 H61 BMA A 139 5.461 -15.010 -16.743 1.00 0.00 H new HETATM 0 H5 BMA A 139 4.371 -14.459 -19.164 1.00 0.00 H new HETATM 0 H4 BMA A 139 7.078 -13.144 -19.227 1.00 0.00 H new HETATM 0 H3 BMA A 139 4.686 -12.794 -21.064 1.00 0.00 H new HETATM 0 H2 BMA A 139 4.398 -10.607 -20.116 1.00 0.00 H new