USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 844 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 49 THR OG1 : rot -98:sc= 1.22 USER MOD Set 1.2: B 51 THR OG1 : rot 55:sc= -0.285 USER MOD Set 2.1: B 44 THR OG1 : rot 52:sc= 1.54 USER MOD Set 2.2: B 53 THR OG1 : rot 96:sc= 1.83 USER MOD Set 3.1: A 50 LYS NZ :NH3+ -130:sc= -0.745 (180deg=0.175) USER MOD Set 3.2: B 1 MET CE :methyl 154:sc= -0.883 (180deg=-0.826) USER MOD Set 3.3: B 3 TYR OH : rot 180:sc= -1.33 USER MOD Set 4.1: A 49 THR OG1 : rot -100:sc= 1.18 USER MOD Set 4.2: A 51 THR OG1 : rot 56:sc= -0.296 USER MOD Set 5.1: A 44 THR OG1 : rot 58:sc= 1.54 USER MOD Set 5.2: A 53 THR OG1 : rot 95:sc= 1.85 USER MOD Set 6.1: A 1 MET CE :methyl 154:sc= -0.896 (180deg=-0.831) USER MOD Set 6.2: A 3 TYR OH : rot 180:sc= -1.31 USER MOD Set 6.3: B 50 LYS NZ :NH3+ -130:sc= -0.743 (180deg=0.189) USER MOD Single : A 1 MET N :NH3+ -129:sc= 0.0445 (180deg=-0.227) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ -135:sc= -2.8! (180deg=-6.85!) USER MOD Single : A 8 ASN :FLIP amide:sc= -0.762 F(o=-2.7,f=-0.76) USER MOD Single : A 10 LYS NZ :NH3+ -166:sc= -0.0675 (180deg=-0.286) USER MOD Single : A 11 THR OG1 : rot -130:sc= -2.38! USER MOD Single : A 13 LYS NZ :NH3+ -107:sc= 0.114 (180deg=-0.556) USER MOD Single : A 16 THR OG1 : rot 172:sc= -4.82! USER MOD Single : A 17 THR OG1 : rot 27:sc= 0.375 USER MOD Single : A 18 THR OG1 : rot 33:sc= 0.798 USER MOD Single : A 25 THR OG1 : rot -29:sc= -2.17! USER MOD Single : A 28 LYS NZ :NH3+ 168:sc= -0.0203 (180deg=-0.194) USER MOD Single : A 31 LYS NZ :NH3+ 158:sc= -2.55 (180deg=-4.36!) USER MOD Single : A 32 GLN :FLIP amide:sc= -1.17 F(o=-2.2!,f=-1.2) USER MOD Single : A 35 ASN : amide:sc= -5.17! C(o=-5.2!,f=-5.5!) USER MOD Single : A 37 ASN : amide:sc= -3.2 X(o=-3.2,f=-3.3) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.591 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET N :NH3+ -129:sc= 0.0326 (180deg=-0.236) USER MOD Single : B 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 LYS NZ :NH3+ -136:sc= -2.78! (180deg=-6.96!) USER MOD Single : B 8 ASN :FLIP amide:sc= -0.771 F(o=-2.7,f=-0.77) USER MOD Single : B 10 LYS NZ :NH3+ -166:sc= -0.0198 (180deg=-0.278) USER MOD Single : B 11 THR OG1 : rot -140:sc= -2.36! USER MOD Single : B 13 LYS NZ :NH3+ -107:sc= 0.133 (180deg=-0.546) USER MOD Single : B 16 THR OG1 : rot -162:sc= -4.72! USER MOD Single : B 17 THR OG1 : rot 30:sc= 0.396 USER MOD Single : B 18 THR OG1 : rot 34:sc= 0.792 USER MOD Single : B 25 THR OG1 : rot -22:sc= -2.26! USER MOD Single : B 28 LYS NZ :NH3+ 168:sc= -0.0256 (180deg=-0.194) USER MOD Single : B 31 LYS NZ :NH3+ 155:sc= -2.54 (180deg=-4.38!) USER MOD Single : B 32 GLN :FLIP amide:sc= -1.22 F(o=-2.2!,f=-1.2) USER MOD Single : B 35 ASN : amide:sc= -5.28! C(o=-5.3!,f=-5.3!) USER MOD Single : B 37 ASN : amide:sc= -3.21 X(o=-3.2,f=-3.3) USER MOD Single : B 45 TYR OH : rot 180:sc= -0.59 USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.967 -18.834 1.968 1.00 0.00 N ATOM 2 CA MET A 1 6.939 -17.975 1.243 1.00 0.00 C ATOM 3 C MET A 1 6.571 -16.501 1.357 1.00 0.00 C ATOM 4 O MET A 1 5.454 -16.154 1.745 1.00 0.00 O ATOM 5 CB MET A 1 6.960 -18.389 -0.231 1.00 0.00 C ATOM 6 CG MET A 1 7.459 -19.804 -0.465 1.00 0.00 C ATOM 7 SD MET A 1 7.474 -20.253 -2.211 1.00 0.00 S ATOM 8 CE MET A 1 8.601 -19.023 -2.864 1.00 0.00 C ATOM 0 H1 MET A 1 6.480 -19.480 2.602 1.00 0.00 H new ATOM 0 H2 MET A 1 5.325 -18.236 2.527 1.00 0.00 H new ATOM 0 H3 MET A 1 5.415 -19.388 1.283 1.00 0.00 H new ATOM 0 HA MET A 1 7.924 -18.108 1.690 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.953 -18.297 -0.639 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.593 -17.695 -0.784 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.466 -19.902 -0.060 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.826 -20.504 0.081 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.073 -19.406 -3.768 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.049 -18.113 -3.100 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.367 -18.800 -2.121 1.00 0.00 H new ATOM 20 N GLN A 2 7.514 -15.638 0.997 1.00 0.00 N ATOM 21 CA GLN A 2 7.294 -14.200 1.037 1.00 0.00 C ATOM 22 C GLN A 2 7.120 -13.662 -0.379 1.00 0.00 C ATOM 23 O GLN A 2 7.776 -14.124 -1.311 1.00 0.00 O ATOM 24 CB GLN A 2 8.465 -13.496 1.724 1.00 0.00 C ATOM 25 CG GLN A 2 8.303 -11.988 1.807 1.00 0.00 C ATOM 26 CD GLN A 2 9.474 -11.311 2.491 1.00 0.00 C ATOM 27 OE1 GLN A 2 10.615 -11.408 2.038 1.00 0.00 O ATOM 28 NE2 GLN A 2 9.198 -10.619 3.591 1.00 0.00 N ATOM 0 H GLN A 2 8.441 -15.912 0.673 1.00 0.00 H new ATOM 0 HA GLN A 2 6.388 -14.002 1.609 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.579 -13.897 2.731 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.384 -13.725 1.184 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.191 -11.583 0.801 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.386 -11.754 2.349 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.238 -10.565 3.932 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.946 -10.142 4.095 1.00 0.00 H new ATOM 37 N TYR A 3 6.233 -12.688 -0.537 1.00 0.00 N ATOM 38 CA TYR A 3 5.980 -12.103 -1.846 1.00 0.00 C ATOM 39 C TYR A 3 6.197 -10.596 -1.827 1.00 0.00 C ATOM 40 O TYR A 3 5.956 -9.934 -0.818 1.00 0.00 O ATOM 41 CB TYR A 3 4.559 -12.425 -2.306 1.00 0.00 C ATOM 42 CG TYR A 3 4.314 -13.903 -2.506 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.183 -14.759 -1.420 1.00 0.00 C ATOM 44 CD2 TYR A 3 4.220 -14.442 -3.783 1.00 0.00 C ATOM 45 CE1 TYR A 3 3.963 -16.111 -1.602 1.00 0.00 C ATOM 46 CE2 TYR A 3 3.999 -15.793 -3.972 1.00 0.00 C ATOM 47 CZ TYR A 3 3.872 -16.623 -2.878 1.00 0.00 C ATOM 48 OH TYR A 3 3.653 -17.969 -3.061 1.00 0.00 O ATOM 0 H TYR A 3 5.680 -12.289 0.221 1.00 0.00 H new ATOM 0 HA TYR A 3 6.688 -12.538 -2.551 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.851 -12.043 -1.570 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.360 -11.901 -3.241 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.254 -14.362 -0.418 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.321 -13.795 -4.642 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.863 -16.764 -0.747 1.00 0.00 H new ATOM 0 HE2 TYR A 3 3.926 -16.197 -4.971 1.00 0.00 H new ATOM 0 HH TYR A 3 3.614 -18.167 -4.020 1.00 0.00 H new ATOM 58 N LYS A 4 6.656 -10.061 -2.951 1.00 0.00 N ATOM 59 CA LYS A 4 6.908 -8.631 -3.071 1.00 0.00 C ATOM 60 C LYS A 4 5.720 -7.931 -3.718 1.00 0.00 C ATOM 61 O LYS A 4 5.479 -8.076 -4.917 1.00 0.00 O ATOM 62 CB LYS A 4 8.172 -8.382 -3.898 1.00 0.00 C ATOM 63 CG LYS A 4 8.528 -6.909 -4.047 1.00 0.00 C ATOM 64 CD LYS A 4 8.815 -6.244 -2.706 1.00 0.00 C ATOM 65 CE LYS A 4 10.169 -6.650 -2.138 1.00 0.00 C ATOM 66 NZ LYS A 4 10.214 -8.085 -1.740 1.00 0.00 N ATOM 0 H LYS A 4 6.862 -10.597 -3.794 1.00 0.00 H new ATOM 0 HA LYS A 4 7.052 -8.224 -2.070 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.008 -8.903 -3.432 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.038 -8.816 -4.889 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.401 -6.812 -4.692 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.708 -6.388 -4.540 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.784 -5.161 -2.826 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.031 -6.509 -1.996 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.943 -6.458 -2.881 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.397 -6.029 -1.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.667 -8.173 -0.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.246 -8.462 -1.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.761 -8.623 -2.442 1.00 0.00 H new ATOM 80 N VAL A 5 4.983 -7.161 -2.927 1.00 0.00 N ATOM 81 CA VAL A 5 3.832 -6.435 -3.434 1.00 0.00 C ATOM 82 C VAL A 5 4.217 -4.994 -3.755 1.00 0.00 C ATOM 83 O VAL A 5 4.615 -4.233 -2.878 1.00 0.00 O ATOM 84 CB VAL A 5 2.661 -6.455 -2.427 1.00 0.00 C ATOM 85 CG1 VAL A 5 1.470 -5.674 -2.967 1.00 0.00 C ATOM 86 CG2 VAL A 5 2.265 -7.891 -2.106 1.00 0.00 C ATOM 0 H VAL A 5 5.164 -7.025 -1.932 1.00 0.00 H new ATOM 0 HA VAL A 5 3.501 -6.933 -4.346 1.00 0.00 H new ATOM 0 HB VAL A 5 2.989 -5.973 -1.506 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.657 -5.702 -2.241 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.763 -4.639 -3.144 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.136 -6.121 -3.903 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.439 -7.890 -1.395 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.956 -8.396 -3.021 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.117 -8.415 -1.672 1.00 0.00 H new ATOM 96 N ILE A 6 4.112 -4.638 -5.024 1.00 0.00 N ATOM 97 CA ILE A 6 4.464 -3.300 -5.479 1.00 0.00 C ATOM 98 C ILE A 6 3.223 -2.440 -5.701 1.00 0.00 C ATOM 99 O ILE A 6 2.309 -2.822 -6.428 1.00 0.00 O ATOM 100 CB ILE A 6 5.279 -3.366 -6.787 1.00 0.00 C ATOM 101 CG1 ILE A 6 6.580 -4.140 -6.563 1.00 0.00 C ATOM 102 CG2 ILE A 6 5.572 -1.970 -7.309 1.00 0.00 C ATOM 103 CD1 ILE A 6 7.443 -4.242 -7.800 1.00 0.00 C ATOM 0 H ILE A 6 3.784 -5.260 -5.763 1.00 0.00 H new ATOM 0 HA ILE A 6 5.069 -2.843 -4.696 1.00 0.00 H new ATOM 0 HB ILE A 6 4.686 -3.891 -7.536 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.150 -3.654 -5.771 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.340 -5.144 -6.213 1.00 0.00 H new ATOM 0 HG21 ILE A 6 6.148 -2.040 -8.232 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.634 -1.450 -7.505 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.145 -1.416 -6.565 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.348 -4.803 -7.567 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.891 -4.755 -8.588 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.713 -3.242 -8.138 1.00 0.00 H new ATOM 115 N LEU A 7 3.199 -1.273 -5.067 1.00 0.00 N ATOM 116 CA LEU A 7 2.075 -0.356 -5.197 1.00 0.00 C ATOM 117 C LEU A 7 2.470 0.846 -6.052 1.00 0.00 C ATOM 118 O LEU A 7 2.998 1.837 -5.546 1.00 0.00 O ATOM 119 CB LEU A 7 1.607 0.097 -3.811 1.00 0.00 C ATOM 120 CG LEU A 7 1.349 -1.033 -2.819 1.00 0.00 C ATOM 121 CD1 LEU A 7 0.916 -0.463 -1.476 1.00 0.00 C ATOM 122 CD2 LEU A 7 0.300 -1.988 -3.368 1.00 0.00 C ATOM 0 H LEU A 7 3.946 -0.940 -4.458 1.00 0.00 H new ATOM 0 HA LEU A 7 1.251 -0.871 -5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.358 0.766 -3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.691 0.677 -3.924 1.00 0.00 H new ATOM 0 HG LEU A 7 2.273 -1.592 -2.671 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.735 -1.279 -0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.702 0.183 -1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.001 0.115 -1.604 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.126 -2.789 -2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.630 -1.447 -3.540 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.652 -2.413 -4.308 1.00 0.00 H new ATOM 134 N ASN A 8 2.224 0.741 -7.358 1.00 0.00 N ATOM 135 CA ASN A 8 2.571 1.811 -8.292 1.00 0.00 C ATOM 136 C ASN A 8 1.368 2.670 -8.659 1.00 0.00 C ATOM 137 O ASN A 8 0.481 2.236 -9.388 1.00 0.00 O ATOM 138 CB ASN A 8 3.183 1.239 -9.571 1.00 0.00 C ATOM 139 CG ASN A 8 4.483 0.501 -9.324 1.00 0.00 C ATOM 140 OD1 ASN A 8 4.559 -0.735 -9.801 1.00 0.00 O flip ATOM 141 ND2 ASN A 8 5.414 1.040 -8.726 1.00 0.00 N flip ATOM 0 H ASN A 8 1.787 -0.072 -7.792 1.00 0.00 H new ATOM 0 HA ASN A 8 3.300 2.441 -7.782 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.469 0.560 -10.037 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.360 2.050 -10.277 1.00 0.00 H new ATOM 0 HD21 ASN A 8 5.312 1.993 -8.376 1.00 0.00 H new ATOM 0 HD22 ASN A 8 6.288 0.534 -8.580 1.00 0.00 H new ATOM 148 N GLY A 9 1.355 3.901 -8.169 1.00 0.00 N ATOM 149 CA GLY A 9 0.270 4.812 -8.476 1.00 0.00 C ATOM 150 C GLY A 9 0.753 6.015 -9.258 1.00 0.00 C ATOM 151 O GLY A 9 1.897 6.047 -9.708 1.00 0.00 O ATOM 0 H GLY A 9 2.079 4.287 -7.562 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.494 4.288 -9.050 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.199 5.144 -7.550 1.00 0.00 H new ATOM 155 N LYS A 10 -0.110 7.009 -9.410 1.00 0.00 N ATOM 156 CA LYS A 10 0.258 8.217 -10.129 1.00 0.00 C ATOM 157 C LYS A 10 0.948 9.195 -9.186 1.00 0.00 C ATOM 158 O LYS A 10 2.054 9.666 -9.452 1.00 0.00 O ATOM 159 CB LYS A 10 -0.977 8.870 -10.755 1.00 0.00 C ATOM 160 CG LYS A 10 -1.521 8.125 -11.965 1.00 0.00 C ATOM 161 CD LYS A 10 -1.865 6.681 -11.636 1.00 0.00 C ATOM 162 CE LYS A 10 -2.447 5.964 -12.843 1.00 0.00 C ATOM 163 NZ LYS A 10 -3.715 6.593 -13.303 1.00 0.00 N ATOM 0 H LYS A 10 -1.063 7.002 -9.047 1.00 0.00 H new ATOM 0 HA LYS A 10 0.947 7.948 -10.929 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.761 8.940 -10.001 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.727 9.889 -11.050 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.411 8.635 -12.335 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.783 8.148 -12.767 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.970 6.160 -11.297 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.580 6.653 -10.814 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.721 5.974 -13.656 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.630 4.919 -12.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.201 5.952 -13.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.328 6.777 -12.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.503 7.490 -13.785 1.00 0.00 H new ATOM 177 N THR A 11 0.279 9.485 -8.076 1.00 0.00 N ATOM 178 CA THR A 11 0.794 10.394 -7.070 1.00 0.00 C ATOM 179 C THR A 11 1.427 9.622 -5.916 1.00 0.00 C ATOM 180 O THR A 11 2.012 10.212 -5.009 1.00 0.00 O ATOM 181 CB THR A 11 -0.342 11.270 -6.551 1.00 0.00 C ATOM 182 OG1 THR A 11 -1.500 10.484 -6.311 1.00 0.00 O ATOM 183 CG2 THR A 11 -0.721 12.387 -7.502 1.00 0.00 C ATOM 0 H THR A 11 -0.636 9.094 -7.852 1.00 0.00 H new ATOM 0 HA THR A 11 1.563 11.021 -7.522 1.00 0.00 H new ATOM 0 HB THR A 11 0.028 11.720 -5.630 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.275 10.903 -6.740 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.534 12.971 -7.072 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.142 13.033 -7.667 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.043 11.962 -8.453 1.00 0.00 H new ATOM 191 N LEU A 12 1.305 8.296 -5.957 1.00 0.00 N ATOM 192 CA LEU A 12 1.866 7.454 -4.915 1.00 0.00 C ATOM 193 C LEU A 12 2.587 6.248 -5.509 1.00 0.00 C ATOM 194 O LEU A 12 2.086 5.599 -6.425 1.00 0.00 O ATOM 195 CB LEU A 12 0.768 6.996 -3.951 1.00 0.00 C ATOM 196 CG LEU A 12 1.249 6.120 -2.798 1.00 0.00 C ATOM 197 CD1 LEU A 12 2.469 6.748 -2.152 1.00 0.00 C ATOM 198 CD2 LEU A 12 0.143 5.920 -1.774 1.00 0.00 C ATOM 0 H LEU A 12 0.824 7.788 -6.699 1.00 0.00 H new ATOM 0 HA LEU A 12 2.597 8.045 -4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.277 7.877 -3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.015 6.446 -4.516 1.00 0.00 H new ATOM 0 HG LEU A 12 1.521 5.141 -3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.809 6.119 -1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.265 6.841 -2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.211 7.736 -1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.509 5.292 -0.961 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.163 6.887 -1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.710 5.437 -2.250 1.00 0.00 H new ATOM 210 N LYS A 13 3.767 5.960 -4.973 1.00 0.00 N ATOM 211 CA LYS A 13 4.573 4.832 -5.436 1.00 0.00 C ATOM 212 C LYS A 13 5.320 4.204 -4.265 1.00 0.00 C ATOM 213 O LYS A 13 5.748 4.906 -3.351 1.00 0.00 O ATOM 214 CB LYS A 13 5.566 5.293 -6.504 1.00 0.00 C ATOM 215 CG LYS A 13 4.904 5.968 -7.695 1.00 0.00 C ATOM 216 CD LYS A 13 5.930 6.426 -8.718 1.00 0.00 C ATOM 217 CE LYS A 13 5.272 7.134 -9.892 1.00 0.00 C ATOM 218 NZ LYS A 13 4.513 8.340 -9.460 1.00 0.00 N ATOM 0 H LYS A 13 4.190 6.494 -4.214 1.00 0.00 H new ATOM 0 HA LYS A 13 3.909 4.086 -5.873 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.277 5.985 -6.053 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.136 4.433 -6.854 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.205 5.276 -8.164 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.323 6.824 -7.352 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.645 7.097 -8.242 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.493 5.566 -9.080 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.035 7.425 -10.614 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.598 6.444 -10.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.493 8.147 -9.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.766 8.577 -8.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.749 9.140 -10.081 1.00 0.00 H new ATOM 232 N GLY A 14 5.477 2.882 -4.287 1.00 0.00 N ATOM 233 CA GLY A 14 6.176 2.218 -3.202 1.00 0.00 C ATOM 234 C GLY A 14 6.279 0.716 -3.376 1.00 0.00 C ATOM 235 O GLY A 14 5.994 0.181 -4.447 1.00 0.00 O ATOM 0 H GLY A 14 5.137 2.267 -5.026 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.179 2.635 -3.118 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.662 2.432 -2.265 1.00 0.00 H new ATOM 239 N GLU A 15 6.691 0.039 -2.307 1.00 0.00 N ATOM 240 CA GLU A 15 6.839 -1.410 -2.322 1.00 0.00 C ATOM 241 C GLU A 15 6.490 -2.005 -0.960 1.00 0.00 C ATOM 242 O GLU A 15 6.792 -1.423 0.081 1.00 0.00 O ATOM 243 CB GLU A 15 8.266 -1.797 -2.714 1.00 0.00 C ATOM 244 CG GLU A 15 8.669 -1.308 -4.097 1.00 0.00 C ATOM 245 CD GLU A 15 10.083 -1.706 -4.476 1.00 0.00 C ATOM 246 OE1 GLU A 15 10.755 -2.367 -3.655 1.00 0.00 O ATOM 247 OE2 GLU A 15 10.517 -1.359 -5.594 1.00 0.00 O ATOM 0 H GLU A 15 6.929 0.475 -1.416 1.00 0.00 H new ATOM 0 HA GLU A 15 6.148 -1.813 -3.062 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.959 -1.391 -1.977 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.362 -2.882 -2.679 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.974 -1.709 -4.835 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.581 -0.222 -4.133 1.00 0.00 H new ATOM 254 N THR A 16 5.848 -3.165 -0.983 1.00 0.00 N ATOM 255 CA THR A 16 5.441 -3.853 0.236 1.00 0.00 C ATOM 256 C THR A 16 5.627 -5.364 0.095 1.00 0.00 C ATOM 257 O THR A 16 5.903 -5.858 -0.996 1.00 0.00 O ATOM 258 CB THR A 16 3.992 -3.497 0.584 1.00 0.00 C ATOM 259 OG1 THR A 16 3.435 -4.467 1.437 1.00 0.00 O ATOM 260 CG2 THR A 16 3.085 -3.358 -0.620 1.00 0.00 C ATOM 0 H THR A 16 5.595 -3.654 -1.842 1.00 0.00 H new ATOM 0 HA THR A 16 6.078 -3.521 1.056 1.00 0.00 H new ATOM 0 HB THR A 16 4.050 -2.524 1.072 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.559 -4.161 1.752 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.078 -3.105 -0.289 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.462 -2.569 -1.270 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.061 -4.300 -1.168 1.00 0.00 H new ATOM 268 N THR A 17 5.507 -6.094 1.206 1.00 0.00 N ATOM 269 CA THR A 17 5.698 -7.546 1.179 1.00 0.00 C ATOM 270 C THR A 17 4.752 -8.293 2.121 1.00 0.00 C ATOM 271 O THR A 17 4.756 -8.073 3.333 1.00 0.00 O ATOM 272 CB THR A 17 7.141 -7.883 1.541 1.00 0.00 C ATOM 273 OG1 THR A 17 7.459 -7.399 2.834 1.00 0.00 O ATOM 274 CG2 THR A 17 8.151 -7.308 0.575 1.00 0.00 C ATOM 0 H THR A 17 5.282 -5.710 2.124 1.00 0.00 H new ATOM 0 HA THR A 17 5.469 -7.874 0.165 1.00 0.00 H new ATOM 0 HB THR A 17 7.202 -8.970 1.499 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.642 -7.345 3.373 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.156 -7.586 0.892 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.964 -7.701 -0.424 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.062 -6.222 0.560 1.00 0.00 H new ATOM 282 N THR A 18 3.967 -9.204 1.547 1.00 0.00 N ATOM 283 CA THR A 18 3.030 -10.028 2.311 1.00 0.00 C ATOM 284 C THR A 18 3.534 -11.470 2.355 1.00 0.00 C ATOM 285 O THR A 18 4.139 -11.953 1.399 1.00 0.00 O ATOM 286 CB THR A 18 1.639 -9.987 1.671 1.00 0.00 C ATOM 287 OG1 THR A 18 0.707 -10.689 2.468 1.00 0.00 O ATOM 288 CG2 THR A 18 1.596 -10.585 0.281 1.00 0.00 C ATOM 0 H THR A 18 3.962 -9.391 0.544 1.00 0.00 H new ATOM 0 HA THR A 18 2.961 -9.634 3.325 1.00 0.00 H new ATOM 0 HB THR A 18 1.386 -8.929 1.598 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.948 -10.594 3.413 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.581 -10.522 -0.111 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.272 -10.034 -0.373 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.904 -11.630 0.325 1.00 0.00 H new ATOM 296 N GLU A 19 3.280 -12.157 3.462 1.00 0.00 N ATOM 297 CA GLU A 19 3.709 -13.546 3.610 1.00 0.00 C ATOM 298 C GLU A 19 2.511 -14.484 3.520 1.00 0.00 C ATOM 299 O GLU A 19 1.609 -14.429 4.357 1.00 0.00 O ATOM 300 CB GLU A 19 4.428 -13.740 4.947 1.00 0.00 C ATOM 301 CG GLU A 19 4.914 -15.162 5.175 1.00 0.00 C ATOM 302 CD GLU A 19 5.624 -15.326 6.505 1.00 0.00 C ATOM 303 OE1 GLU A 19 6.646 -14.642 6.721 1.00 0.00 O ATOM 304 OE2 GLU A 19 5.155 -16.138 7.330 1.00 0.00 O ATOM 0 H GLU A 19 2.782 -11.779 4.268 1.00 0.00 H new ATOM 0 HA GLU A 19 4.400 -13.782 2.801 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.280 -13.062 4.994 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.754 -13.461 5.757 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.065 -15.844 5.133 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.590 -15.445 4.368 1.00 0.00 H new ATOM 311 N ALA A 20 2.492 -15.338 2.498 1.00 0.00 N ATOM 312 CA ALA A 20 1.388 -16.272 2.313 1.00 0.00 C ATOM 313 C ALA A 20 1.862 -17.606 1.740 1.00 0.00 C ATOM 314 O ALA A 20 2.847 -17.669 1.005 1.00 0.00 O ATOM 315 CB ALA A 20 0.330 -15.657 1.410 1.00 0.00 C ATOM 0 H ALA A 20 3.224 -15.401 1.791 1.00 0.00 H new ATOM 0 HA ALA A 20 0.955 -16.472 3.293 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.490 -16.362 1.278 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.048 -14.741 1.864 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.769 -15.426 0.440 1.00 0.00 H new ATOM 321 N VAL A 21 1.156 -18.669 2.107 1.00 0.00 N ATOM 322 CA VAL A 21 1.492 -20.021 1.663 1.00 0.00 C ATOM 323 C VAL A 21 1.664 -20.094 0.146 1.00 0.00 C ATOM 324 O VAL A 21 2.395 -20.943 -0.364 1.00 0.00 O ATOM 325 CB VAL A 21 0.406 -21.028 2.088 1.00 0.00 C ATOM 326 CG1 VAL A 21 0.841 -22.453 1.781 1.00 0.00 C ATOM 327 CG2 VAL A 21 0.074 -20.862 3.563 1.00 0.00 C ATOM 0 H VAL A 21 0.340 -18.622 2.717 1.00 0.00 H new ATOM 0 HA VAL A 21 2.439 -20.278 2.139 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.497 -20.825 1.513 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.059 -23.147 2.089 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.017 -22.557 0.710 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.760 -22.678 2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.695 -21.581 3.846 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.970 -21.035 4.159 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.291 -19.851 3.742 1.00 0.00 H new ATOM 337 N ASP A 22 0.997 -19.197 -0.571 1.00 0.00 N ATOM 338 CA ASP A 22 1.096 -19.172 -2.028 1.00 0.00 C ATOM 339 C ASP A 22 0.771 -17.790 -2.586 1.00 0.00 C ATOM 340 O ASP A 22 0.452 -16.866 -1.838 1.00 0.00 O ATOM 341 CB ASP A 22 0.171 -20.223 -2.647 1.00 0.00 C ATOM 342 CG ASP A 22 -1.292 -19.955 -2.360 1.00 0.00 C ATOM 343 OD1 ASP A 22 -1.808 -18.922 -2.833 1.00 0.00 O ATOM 344 OD2 ASP A 22 -1.921 -20.778 -1.661 1.00 0.00 O ATOM 0 H ASP A 22 0.387 -18.483 -0.173 1.00 0.00 H new ATOM 0 HA ASP A 22 2.127 -19.408 -2.293 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.327 -20.248 -3.726 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.438 -21.208 -2.263 1.00 0.00 H new ATOM 349 N ALA A 23 0.865 -17.654 -3.906 1.00 0.00 N ATOM 350 CA ALA A 23 0.589 -16.383 -4.563 1.00 0.00 C ATOM 351 C ALA A 23 -0.850 -15.943 -4.340 1.00 0.00 C ATOM 352 O ALA A 23 -1.114 -14.774 -4.059 1.00 0.00 O ATOM 353 CB ALA A 23 0.889 -16.480 -6.051 1.00 0.00 C ATOM 0 H ALA A 23 1.130 -18.408 -4.540 1.00 0.00 H new ATOM 0 HA ALA A 23 1.240 -15.630 -4.120 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.678 -15.523 -6.528 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.939 -16.733 -6.195 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.265 -17.254 -6.498 1.00 0.00 H new ATOM 359 N ALA A 24 -1.778 -16.886 -4.452 1.00 0.00 N ATOM 360 CA ALA A 24 -3.188 -16.584 -4.246 1.00 0.00 C ATOM 361 C ALA A 24 -3.414 -16.090 -2.827 1.00 0.00 C ATOM 362 O ALA A 24 -3.938 -14.997 -2.617 1.00 0.00 O ATOM 363 CB ALA A 24 -4.046 -17.806 -4.537 1.00 0.00 C ATOM 0 H ALA A 24 -1.581 -17.860 -4.683 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.482 -15.795 -4.938 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.096 -17.560 -4.377 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.899 -18.116 -5.572 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.759 -18.619 -3.871 1.00 0.00 H new ATOM 369 N THR A 25 -2.984 -16.886 -1.850 1.00 0.00 N ATOM 370 CA THR A 25 -3.110 -16.506 -0.456 1.00 0.00 C ATOM 371 C THR A 25 -2.553 -15.106 -0.268 1.00 0.00 C ATOM 372 O THR A 25 -3.179 -14.253 0.359 1.00 0.00 O ATOM 373 CB THR A 25 -2.362 -17.503 0.428 1.00 0.00 C ATOM 374 OG1 THR A 25 -1.007 -17.607 0.031 1.00 0.00 O ATOM 375 CG2 THR A 25 -2.957 -18.894 0.401 1.00 0.00 C ATOM 0 H THR A 25 -2.547 -17.795 -2.004 1.00 0.00 H new ATOM 0 HA THR A 25 -4.161 -16.514 -0.168 1.00 0.00 H new ATOM 0 HB THR A 25 -2.448 -17.110 1.441 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.931 -17.417 -0.928 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.377 -19.550 1.050 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.988 -18.855 0.752 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.935 -19.280 -0.618 1.00 0.00 H new ATOM 383 N ALA A 26 -1.385 -14.868 -0.860 1.00 0.00 N ATOM 384 CA ALA A 26 -0.762 -13.559 -0.797 1.00 0.00 C ATOM 385 C ALA A 26 -1.708 -12.523 -1.388 1.00 0.00 C ATOM 386 O ALA A 26 -2.004 -11.509 -0.760 1.00 0.00 O ATOM 387 CB ALA A 26 0.569 -13.561 -1.537 1.00 0.00 C ATOM 0 H ALA A 26 -0.857 -15.565 -1.385 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.561 -13.306 0.244 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.020 -12.570 -1.478 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.237 -14.292 -1.081 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.404 -13.823 -2.582 1.00 0.00 H new ATOM 393 N GLU A 27 -2.194 -12.798 -2.600 1.00 0.00 N ATOM 394 CA GLU A 27 -3.123 -11.903 -3.273 1.00 0.00 C ATOM 395 C GLU A 27 -4.276 -11.531 -2.352 1.00 0.00 C ATOM 396 O GLU A 27 -4.575 -10.357 -2.163 1.00 0.00 O ATOM 397 CB GLU A 27 -3.666 -12.558 -4.546 1.00 0.00 C ATOM 398 CG GLU A 27 -4.730 -11.737 -5.258 1.00 0.00 C ATOM 399 CD GLU A 27 -4.237 -10.364 -5.664 1.00 0.00 C ATOM 400 OE1 GLU A 27 -3.246 -10.287 -6.421 1.00 0.00 O ATOM 401 OE2 GLU A 27 -4.844 -9.366 -5.226 1.00 0.00 O ATOM 0 H GLU A 27 -1.956 -13.635 -3.132 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.584 -10.995 -3.542 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.838 -12.735 -5.233 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.083 -13.532 -4.292 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.064 -12.275 -6.145 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.596 -11.629 -4.605 1.00 0.00 H new ATOM 408 N LYS A 28 -4.908 -12.544 -1.763 1.00 0.00 N ATOM 409 CA LYS A 28 -6.020 -12.315 -0.851 1.00 0.00 C ATOM 410 C LYS A 28 -5.556 -11.564 0.385 1.00 0.00 C ATOM 411 O LYS A 28 -6.155 -10.561 0.770 1.00 0.00 O ATOM 412 CB LYS A 28 -6.670 -13.646 -0.468 1.00 0.00 C ATOM 413 CG LYS A 28 -7.613 -14.183 -1.536 1.00 0.00 C ATOM 414 CD LYS A 28 -7.008 -14.069 -2.927 1.00 0.00 C ATOM 415 CE LYS A 28 -7.938 -14.637 -3.987 1.00 0.00 C ATOM 416 NZ LYS A 28 -9.244 -13.923 -4.023 1.00 0.00 N ATOM 0 H LYS A 28 -4.669 -13.526 -1.902 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.764 -11.700 -1.357 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.889 -14.383 -0.278 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.221 -13.519 0.464 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.846 -15.227 -1.325 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.553 -13.633 -1.502 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.798 -13.023 -3.149 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.056 -14.599 -2.955 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.460 -14.567 -4.964 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.109 -15.695 -3.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.766 -14.197 -4.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.801 -14.176 -3.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.078 -12.896 -4.033 1.00 0.00 H new ATOM 430 N VAL A 29 -4.476 -12.036 1.000 1.00 0.00 N ATOM 431 CA VAL A 29 -3.939 -11.377 2.179 1.00 0.00 C ATOM 432 C VAL A 29 -3.666 -9.914 1.867 1.00 0.00 C ATOM 433 O VAL A 29 -3.982 -9.027 2.659 1.00 0.00 O ATOM 434 CB VAL A 29 -2.647 -12.056 2.674 1.00 0.00 C ATOM 435 CG1 VAL A 29 -2.102 -11.350 3.905 1.00 0.00 C ATOM 436 CG2 VAL A 29 -2.893 -13.531 2.960 1.00 0.00 C ATOM 0 H VAL A 29 -3.961 -12.865 0.703 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.681 -11.455 2.974 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.899 -11.982 1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.190 -11.847 4.236 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.881 -10.311 3.660 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.844 -11.385 4.703 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.969 -13.993 3.308 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.660 -13.630 3.728 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.226 -14.028 2.049 1.00 0.00 H new ATOM 446 N VAL A 30 -3.117 -9.671 0.685 1.00 0.00 N ATOM 447 CA VAL A 30 -2.851 -8.317 0.243 1.00 0.00 C ATOM 448 C VAL A 30 -4.183 -7.609 0.039 1.00 0.00 C ATOM 449 O VAL A 30 -4.401 -6.511 0.547 1.00 0.00 O ATOM 450 CB VAL A 30 -2.037 -8.296 -1.065 1.00 0.00 C ATOM 451 CG1 VAL A 30 -1.776 -6.867 -1.517 1.00 0.00 C ATOM 452 CG2 VAL A 30 -0.729 -9.050 -0.887 1.00 0.00 C ATOM 0 H VAL A 30 -2.849 -10.395 0.019 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.257 -7.807 1.002 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.620 -8.794 -1.840 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.200 -6.878 -2.442 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.726 -6.360 -1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.215 -6.338 -0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.165 -9.026 -1.820 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.143 -8.581 -0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.939 -10.085 -0.617 1.00 0.00 H new ATOM 462 N LYS A 31 -5.090 -8.266 -0.694 1.00 0.00 N ATOM 463 CA LYS A 31 -6.420 -7.715 -0.943 1.00 0.00 C ATOM 464 C LYS A 31 -7.028 -7.193 0.345 1.00 0.00 C ATOM 465 O LYS A 31 -7.536 -6.074 0.403 1.00 0.00 O ATOM 466 CB LYS A 31 -7.355 -8.777 -1.531 1.00 0.00 C ATOM 467 CG LYS A 31 -7.056 -9.138 -2.971 1.00 0.00 C ATOM 468 CD LYS A 31 -7.228 -7.947 -3.891 1.00 0.00 C ATOM 469 CE LYS A 31 -8.664 -7.805 -4.367 1.00 0.00 C ATOM 470 NZ LYS A 31 -9.603 -7.542 -3.241 1.00 0.00 N ATOM 0 H LYS A 31 -4.924 -9.177 -1.122 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.307 -6.899 -1.657 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.292 -9.678 -0.921 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.382 -8.418 -1.464 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.036 -9.514 -3.048 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.718 -9.943 -3.290 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.926 -7.038 -3.370 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.568 -8.055 -4.752 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.727 -6.991 -5.089 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.966 -8.715 -4.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.467 -7.093 -3.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.849 -8.440 -2.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.149 -6.909 -2.551 1.00 0.00 H new ATOM 484 N GLN A 32 -6.980 -8.028 1.374 1.00 0.00 N ATOM 485 CA GLN A 32 -7.544 -7.656 2.657 1.00 0.00 C ATOM 486 C GLN A 32 -6.833 -6.428 3.210 1.00 0.00 C ATOM 487 O GLN A 32 -7.448 -5.579 3.857 1.00 0.00 O ATOM 488 CB GLN A 32 -7.463 -8.812 3.652 1.00 0.00 C ATOM 489 CG GLN A 32 -8.447 -8.665 4.797 1.00 0.00 C ATOM 490 CD GLN A 32 -9.881 -8.793 4.323 1.00 0.00 C ATOM 491 OE1 GLN A 32 -10.422 -7.713 3.766 1.00 0.00 O flip ATOM 492 NE2 GLN A 32 -10.485 -9.862 4.417 1.00 0.00 N flip ATOM 0 H GLN A 32 -6.560 -8.957 1.343 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.597 -7.416 2.507 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.655 -9.750 3.131 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.451 -8.872 4.053 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.244 -9.425 5.551 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -8.307 -7.696 5.275 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -10.033 -10.667 4.852 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.437 -9.943 4.060 1.00 0.00 H new ATOM 501 N PHE A 33 -5.537 -6.333 2.937 1.00 0.00 N ATOM 502 CA PHE A 33 -4.735 -5.201 3.389 1.00 0.00 C ATOM 503 C PHE A 33 -5.407 -3.887 2.988 1.00 0.00 C ATOM 504 O PHE A 33 -5.953 -3.168 3.825 1.00 0.00 O ATOM 505 CB PHE A 33 -3.329 -5.296 2.779 1.00 0.00 C ATOM 506 CG PHE A 33 -2.321 -4.395 3.425 1.00 0.00 C ATOM 507 CD1 PHE A 33 -2.009 -4.545 4.767 1.00 0.00 C ATOM 508 CD2 PHE A 33 -1.685 -3.398 2.698 1.00 0.00 C ATOM 509 CE1 PHE A 33 -1.084 -3.718 5.371 1.00 0.00 C ATOM 510 CE2 PHE A 33 -0.757 -2.570 3.301 1.00 0.00 C ATOM 511 CZ PHE A 33 -0.457 -2.731 4.639 1.00 0.00 C ATOM 0 H PHE A 33 -5.017 -7.029 2.403 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.653 -5.225 4.476 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.981 -6.326 2.854 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.388 -5.056 1.717 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.495 -5.317 5.346 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.918 -3.268 1.651 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.851 -3.844 6.418 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.267 -1.798 2.726 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.268 -2.085 5.112 1.00 0.00 H new ATOM 521 N PHE A 34 -5.361 -3.593 1.696 1.00 0.00 N ATOM 522 CA PHE A 34 -5.958 -2.377 1.153 1.00 0.00 C ATOM 523 C PHE A 34 -7.460 -2.355 1.394 1.00 0.00 C ATOM 524 O PHE A 34 -8.033 -1.309 1.691 1.00 0.00 O ATOM 525 CB PHE A 34 -5.626 -2.268 -0.327 1.00 0.00 C ATOM 526 CG PHE A 34 -4.150 -2.334 -0.554 1.00 0.00 C ATOM 527 CD1 PHE A 34 -3.308 -1.447 0.093 1.00 0.00 C ATOM 528 CD2 PHE A 34 -3.603 -3.293 -1.380 1.00 0.00 C ATOM 529 CE1 PHE A 34 -1.942 -1.516 -0.083 1.00 0.00 C ATOM 530 CE2 PHE A 34 -2.238 -3.368 -1.565 1.00 0.00 C ATOM 531 CZ PHE A 34 -1.408 -2.476 -0.916 1.00 0.00 C ATOM 0 H PHE A 34 -4.912 -4.185 0.997 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.541 -1.511 1.666 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.117 -3.073 -0.873 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.016 -1.330 -0.722 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.725 -0.692 0.743 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.250 -3.993 -1.888 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.293 -0.821 0.429 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.820 -4.122 -2.215 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.339 -2.530 -1.061 1.00 0.00 H new ATOM 541 N ASN A 35 -8.090 -3.517 1.288 1.00 0.00 N ATOM 542 CA ASN A 35 -9.524 -3.632 1.524 1.00 0.00 C ATOM 543 C ASN A 35 -9.880 -2.996 2.867 1.00 0.00 C ATOM 544 O ASN A 35 -10.915 -2.344 3.015 1.00 0.00 O ATOM 545 CB ASN A 35 -9.915 -5.108 1.537 1.00 0.00 C ATOM 546 CG ASN A 35 -11.391 -5.324 1.778 1.00 0.00 C ATOM 547 OD1 ASN A 35 -11.963 -4.798 2.733 1.00 0.00 O ATOM 548 ND2 ASN A 35 -12.007 -6.118 0.917 1.00 0.00 N ATOM 0 H ASN A 35 -7.631 -4.394 1.040 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.065 -3.116 0.731 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.638 -5.560 0.585 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.347 -5.622 2.312 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.001 -6.318 1.029 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.488 -6.530 0.141 1.00 0.00 H new ATOM 555 N ASP A 36 -8.995 -3.206 3.836 1.00 0.00 N ATOM 556 CA ASP A 36 -9.171 -2.676 5.186 1.00 0.00 C ATOM 557 C ASP A 36 -8.460 -1.336 5.387 1.00 0.00 C ATOM 558 O ASP A 36 -8.845 -0.555 6.257 1.00 0.00 O ATOM 559 CB ASP A 36 -8.677 -3.690 6.218 1.00 0.00 C ATOM 560 CG ASP A 36 -9.485 -4.975 6.201 1.00 0.00 C ATOM 561 OD1 ASP A 36 -9.542 -5.626 5.138 1.00 0.00 O ATOM 562 OD2 ASP A 36 -10.055 -5.330 7.254 1.00 0.00 O ATOM 0 H ASP A 36 -8.139 -3.746 3.710 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.238 -2.499 5.324 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.629 -3.920 6.024 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.727 -3.246 7.212 1.00 0.00 H new ATOM 567 N ASN A 37 -7.428 -1.064 4.590 1.00 0.00 N ATOM 568 CA ASN A 37 -6.695 0.197 4.712 1.00 0.00 C ATOM 569 C ASN A 37 -7.450 1.318 4.012 1.00 0.00 C ATOM 570 O ASN A 37 -7.562 2.429 4.532 1.00 0.00 O ATOM 571 CB ASN A 37 -5.291 0.082 4.110 1.00 0.00 C ATOM 572 CG ASN A 37 -4.428 -0.949 4.806 1.00 0.00 C ATOM 573 OD1 ASN A 37 -4.389 -1.017 6.034 1.00 0.00 O ATOM 574 ND2 ASN A 37 -3.703 -1.740 4.021 1.00 0.00 N ATOM 0 H ASN A 37 -7.083 -1.690 3.862 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.604 0.424 5.774 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.375 -0.176 3.054 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.799 1.053 4.162 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.083 -2.438 4.433 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.766 -1.649 3.007 1.00 0.00 H new ATOM 581 N GLY A 38 -7.955 0.991 2.825 1.00 0.00 N ATOM 582 CA GLY A 38 -8.708 1.918 1.992 1.00 0.00 C ATOM 583 C GLY A 38 -9.055 3.252 2.634 1.00 0.00 C ATOM 584 O GLY A 38 -8.182 4.088 2.874 1.00 0.00 O ATOM 0 H GLY A 38 -7.850 0.064 2.412 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.134 2.111 1.085 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.634 1.432 1.686 1.00 0.00 H new ATOM 588 N VAL A 39 -10.350 3.475 2.831 1.00 0.00 N ATOM 589 CA VAL A 39 -10.847 4.743 3.359 1.00 0.00 C ATOM 590 C VAL A 39 -10.778 4.886 4.880 1.00 0.00 C ATOM 591 O VAL A 39 -10.227 5.867 5.378 1.00 0.00 O ATOM 592 CB VAL A 39 -12.296 4.985 2.890 1.00 0.00 C ATOM 593 CG1 VAL A 39 -12.851 6.283 3.464 1.00 0.00 C ATOM 594 CG2 VAL A 39 -12.363 4.995 1.371 1.00 0.00 C ATOM 0 H VAL A 39 -11.079 2.790 2.632 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.170 5.497 2.957 1.00 0.00 H new ATOM 0 HB VAL A 39 -12.915 4.168 3.261 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.874 6.427 3.116 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.842 6.233 4.553 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -12.235 7.119 3.134 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -13.391 5.167 1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.726 5.790 0.984 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.020 4.035 0.985 1.00 0.00 H new ATOM 604 N ASP A 40 -11.367 3.961 5.625 1.00 0.00 N ATOM 605 CA ASP A 40 -11.385 4.076 7.086 1.00 0.00 C ATOM 606 C ASP A 40 -10.183 3.413 7.756 1.00 0.00 C ATOM 607 O ASP A 40 -10.260 3.019 8.920 1.00 0.00 O ATOM 608 CB ASP A 40 -12.676 3.470 7.640 1.00 0.00 C ATOM 609 CG ASP A 40 -13.918 4.169 7.118 1.00 0.00 C ATOM 610 OD1 ASP A 40 -13.775 5.124 6.324 1.00 0.00 O ATOM 611 OD2 ASP A 40 -15.034 3.762 7.504 1.00 0.00 O ATOM 0 H ASP A 40 -11.833 3.133 5.254 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.333 5.140 7.316 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.720 2.413 7.376 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.662 3.526 8.728 1.00 0.00 H new ATOM 616 N GLY A 41 -9.076 3.297 7.037 1.00 0.00 N ATOM 617 CA GLY A 41 -7.892 2.686 7.614 1.00 0.00 C ATOM 618 C GLY A 41 -7.323 3.499 8.765 1.00 0.00 C ATOM 619 O GLY A 41 -7.356 4.729 8.740 1.00 0.00 O ATOM 0 H GLY A 41 -8.974 3.612 6.072 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.139 1.685 7.967 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.131 2.573 6.841 1.00 0.00 H new ATOM 623 N GLU A 42 -6.793 2.809 9.772 1.00 0.00 N ATOM 624 CA GLU A 42 -6.204 3.474 10.934 1.00 0.00 C ATOM 625 C GLU A 42 -4.785 3.937 10.617 1.00 0.00 C ATOM 626 O GLU A 42 -3.830 3.172 10.746 1.00 0.00 O ATOM 627 CB GLU A 42 -6.186 2.531 12.139 1.00 0.00 C ATOM 628 CG GLU A 42 -7.565 2.049 12.562 1.00 0.00 C ATOM 629 CD GLU A 42 -8.482 3.185 12.971 1.00 0.00 C ATOM 630 OE1 GLU A 42 -8.772 4.052 12.120 1.00 0.00 O ATOM 631 OE2 GLU A 42 -8.911 3.208 14.144 1.00 0.00 O ATOM 0 H GLU A 42 -6.759 1.790 9.808 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.815 4.343 11.177 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.566 1.666 11.903 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.716 3.040 12.980 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.021 1.498 11.739 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.462 1.353 13.394 1.00 0.00 H new ATOM 638 N TRP A 43 -4.656 5.188 10.181 1.00 0.00 N ATOM 639 CA TRP A 43 -3.354 5.738 9.822 1.00 0.00 C ATOM 640 C TRP A 43 -2.847 6.731 10.864 1.00 0.00 C ATOM 641 O TRP A 43 -3.577 7.629 11.288 1.00 0.00 O ATOM 642 CB TRP A 43 -3.422 6.466 8.479 1.00 0.00 C ATOM 643 CG TRP A 43 -4.040 5.691 7.351 1.00 0.00 C ATOM 644 CD1 TRP A 43 -4.738 4.516 7.412 1.00 0.00 C ATOM 645 CD2 TRP A 43 -4.014 6.070 5.974 1.00 0.00 C ATOM 646 NE1 TRP A 43 -5.150 4.151 6.150 1.00 0.00 N ATOM 647 CE2 TRP A 43 -4.716 5.089 5.254 1.00 0.00 C ATOM 648 CE3 TRP A 43 -3.462 7.148 5.281 1.00 0.00 C ATOM 649 CZ2 TRP A 43 -4.883 5.156 3.877 1.00 0.00 C ATOM 650 CZ3 TRP A 43 -3.627 7.214 3.913 1.00 0.00 C ATOM 651 CH2 TRP A 43 -4.334 6.223 3.223 1.00 0.00 C ATOM 0 H TRP A 43 -5.435 5.837 10.069 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.670 4.891 9.765 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.987 7.388 8.614 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.411 6.751 8.189 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.936 3.958 8.315 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.691 3.317 5.921 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.915 7.917 5.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.427 4.392 3.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -3.204 8.044 3.366 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.448 6.303 2.152 1.00 0.00 H new ATOM 662 N THR A 44 -1.580 6.592 11.240 1.00 0.00 N ATOM 663 CA THR A 44 -0.955 7.500 12.191 1.00 0.00 C ATOM 664 C THR A 44 0.130 8.309 11.479 1.00 0.00 C ATOM 665 O THR A 44 0.800 7.796 10.583 1.00 0.00 O ATOM 666 CB THR A 44 -0.364 6.729 13.373 1.00 0.00 C ATOM 667 OG1 THR A 44 0.533 5.728 12.925 1.00 0.00 O ATOM 668 CG2 THR A 44 -1.415 6.056 14.231 1.00 0.00 C ATOM 0 H THR A 44 -0.964 5.854 10.898 1.00 0.00 H new ATOM 0 HA THR A 44 -1.711 8.179 12.584 1.00 0.00 H new ATOM 0 HB THR A 44 0.152 7.476 13.976 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.243 6.141 12.390 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.931 5.527 15.051 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.092 6.809 14.635 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.980 5.347 13.625 1.00 0.00 H new ATOM 676 N TYR A 45 0.286 9.574 11.856 1.00 0.00 N ATOM 677 CA TYR A 45 1.275 10.437 11.215 1.00 0.00 C ATOM 678 C TYR A 45 2.406 10.815 12.170 1.00 0.00 C ATOM 679 O TYR A 45 2.184 11.042 13.359 1.00 0.00 O ATOM 680 CB TYR A 45 0.595 11.700 10.685 1.00 0.00 C ATOM 681 CG TYR A 45 1.507 12.601 9.882 1.00 0.00 C ATOM 682 CD1 TYR A 45 2.470 12.071 9.033 1.00 0.00 C ATOM 683 CD2 TYR A 45 1.401 13.983 9.970 1.00 0.00 C ATOM 684 CE1 TYR A 45 3.300 12.893 8.294 1.00 0.00 C ATOM 685 CE2 TYR A 45 2.228 14.812 9.235 1.00 0.00 C ATOM 686 CZ TYR A 45 3.175 14.261 8.400 1.00 0.00 C ATOM 687 OH TYR A 45 4.001 15.082 7.665 1.00 0.00 O ATOM 0 H TYR A 45 -0.254 10.023 12.596 1.00 0.00 H new ATOM 0 HA TYR A 45 1.715 9.880 10.388 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.252 11.410 10.063 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.194 12.264 11.527 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.572 10.999 8.949 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.660 14.418 10.624 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.043 12.465 7.637 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.132 15.885 9.315 1.00 0.00 H new ATOM 0 HH TYR A 45 3.783 16.019 7.853 1.00 0.00 H new ATOM 697 N ASP A 46 3.621 10.888 11.629 1.00 0.00 N ATOM 698 CA ASP A 46 4.797 11.248 12.415 1.00 0.00 C ATOM 699 C ASP A 46 5.495 12.464 11.807 1.00 0.00 C ATOM 700 O ASP A 46 6.426 12.326 11.016 1.00 0.00 O ATOM 701 CB ASP A 46 5.770 10.067 12.488 1.00 0.00 C ATOM 702 CG ASP A 46 7.005 10.384 13.307 1.00 0.00 C ATOM 703 OD1 ASP A 46 6.858 10.701 14.506 1.00 0.00 O ATOM 704 OD2 ASP A 46 8.122 10.312 12.751 1.00 0.00 O ATOM 0 H ASP A 46 3.816 10.702 10.645 1.00 0.00 H new ATOM 0 HA ASP A 46 4.472 11.500 13.424 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.261 9.207 12.922 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.070 9.784 11.479 1.00 0.00 H new ATOM 709 N ASP A 47 5.028 13.654 12.177 1.00 0.00 N ATOM 710 CA ASP A 47 5.591 14.903 11.664 1.00 0.00 C ATOM 711 C ASP A 47 7.119 14.901 11.717 1.00 0.00 C ATOM 712 O ASP A 47 7.781 15.421 10.820 1.00 0.00 O ATOM 713 CB ASP A 47 5.054 16.091 12.466 1.00 0.00 C ATOM 714 CG ASP A 47 3.540 16.171 12.446 1.00 0.00 C ATOM 715 OD1 ASP A 47 2.906 15.283 11.838 1.00 0.00 O ATOM 716 OD2 ASP A 47 2.988 17.120 13.041 1.00 0.00 O ATOM 0 H ASP A 47 4.258 13.781 12.833 1.00 0.00 H new ATOM 0 HA ASP A 47 5.288 14.994 10.621 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.396 16.013 13.498 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.468 17.015 12.062 1.00 0.00 H new ATOM 721 N ALA A 48 7.671 14.328 12.781 1.00 0.00 N ATOM 722 CA ALA A 48 9.119 14.277 12.963 1.00 0.00 C ATOM 723 C ALA A 48 9.836 13.755 11.719 1.00 0.00 C ATOM 724 O ALA A 48 10.965 14.154 11.433 1.00 0.00 O ATOM 725 CB ALA A 48 9.465 13.416 14.168 1.00 0.00 C ATOM 0 H ALA A 48 7.137 13.891 13.532 1.00 0.00 H new ATOM 0 HA ALA A 48 9.463 15.297 13.134 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.547 13.385 14.294 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.007 13.840 15.062 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.089 12.405 14.013 1.00 0.00 H new ATOM 731 N THR A 49 9.184 12.863 10.984 1.00 0.00 N ATOM 732 CA THR A 49 9.778 12.296 9.776 1.00 0.00 C ATOM 733 C THR A 49 8.842 12.412 8.575 1.00 0.00 C ATOM 734 O THR A 49 9.074 11.784 7.541 1.00 0.00 O ATOM 735 CB THR A 49 10.142 10.828 10.007 1.00 0.00 C ATOM 736 OG1 THR A 49 8.994 10.074 10.351 1.00 0.00 O ATOM 737 CG2 THR A 49 11.167 10.631 11.103 1.00 0.00 C ATOM 0 H THR A 49 8.249 12.517 11.200 1.00 0.00 H new ATOM 0 HA THR A 49 10.680 12.867 9.555 1.00 0.00 H new ATOM 0 HB THR A 49 10.571 10.485 9.065 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.967 9.944 11.322 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.380 9.568 11.215 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.084 11.159 10.843 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.776 11.024 12.042 1.00 0.00 H new ATOM 745 N LYS A 50 7.780 13.206 8.711 1.00 0.00 N ATOM 746 CA LYS A 50 6.817 13.379 7.625 1.00 0.00 C ATOM 747 C LYS A 50 6.406 12.026 7.049 1.00 0.00 C ATOM 748 O LYS A 50 6.190 11.891 5.845 1.00 0.00 O ATOM 749 CB LYS A 50 7.407 14.252 6.519 1.00 0.00 C ATOM 750 CG LYS A 50 7.722 15.667 6.970 1.00 0.00 C ATOM 751 CD LYS A 50 7.266 16.684 5.941 1.00 0.00 C ATOM 752 CE LYS A 50 7.554 18.107 6.394 1.00 0.00 C ATOM 753 NZ LYS A 50 7.089 19.113 5.400 1.00 0.00 N ATOM 0 H LYS A 50 7.566 13.736 9.556 1.00 0.00 H new ATOM 0 HA LYS A 50 5.934 13.872 8.033 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.319 13.786 6.146 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.706 14.292 5.685 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.232 15.865 7.923 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.795 15.769 7.135 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.770 16.494 4.993 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.197 16.568 5.763 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.064 18.289 7.351 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.625 18.226 6.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.858 19.784 5.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.813 18.631 4.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.271 19.628 5.784 1.00 0.00 H new ATOM 767 N THR A 51 6.315 11.026 7.920 1.00 0.00 N ATOM 768 CA THR A 51 5.946 9.678 7.500 1.00 0.00 C ATOM 769 C THR A 51 4.630 9.237 8.133 1.00 0.00 C ATOM 770 O THR A 51 4.361 9.521 9.299 1.00 0.00 O ATOM 771 CB THR A 51 7.057 8.692 7.870 1.00 0.00 C ATOM 772 OG1 THR A 51 8.284 9.070 7.269 1.00 0.00 O ATOM 773 CG2 THR A 51 6.764 7.268 7.453 1.00 0.00 C ATOM 0 H THR A 51 6.491 11.123 8.920 1.00 0.00 H new ATOM 0 HA THR A 51 5.813 9.689 6.418 1.00 0.00 H new ATOM 0 HB THR A 51 7.119 8.728 8.958 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.502 9.992 7.521 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.594 6.625 7.747 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.850 6.927 7.940 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.637 7.224 6.371 1.00 0.00 H new ATOM 781 N PHE A 52 3.822 8.526 7.354 1.00 0.00 N ATOM 782 CA PHE A 52 2.537 8.024 7.825 1.00 0.00 C ATOM 783 C PHE A 52 2.573 6.503 7.913 1.00 0.00 C ATOM 784 O PHE A 52 3.200 5.849 7.088 1.00 0.00 O ATOM 785 CB PHE A 52 1.414 8.450 6.876 1.00 0.00 C ATOM 786 CG PHE A 52 1.381 9.923 6.580 1.00 0.00 C ATOM 787 CD1 PHE A 52 2.430 10.532 5.907 1.00 0.00 C ATOM 788 CD2 PHE A 52 0.298 10.696 6.963 1.00 0.00 C ATOM 789 CE1 PHE A 52 2.400 11.886 5.626 1.00 0.00 C ATOM 790 CE2 PHE A 52 0.261 12.050 6.682 1.00 0.00 C ATOM 791 CZ PHE A 52 1.313 12.644 6.013 1.00 0.00 C ATOM 0 H PHE A 52 4.037 8.283 6.387 1.00 0.00 H new ATOM 0 HA PHE A 52 2.346 8.443 8.813 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.520 7.905 5.938 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.458 8.157 7.309 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.280 9.942 5.599 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.527 10.237 7.487 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.225 12.349 5.105 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.590 12.642 6.986 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.285 13.701 5.793 1.00 0.00 H new ATOM 801 N THR A 53 1.899 5.937 8.906 1.00 0.00 N ATOM 802 CA THR A 53 1.865 4.488 9.066 1.00 0.00 C ATOM 803 C THR A 53 0.436 3.955 9.048 1.00 0.00 C ATOM 804 O THR A 53 -0.430 4.431 9.781 1.00 0.00 O ATOM 805 CB THR A 53 2.570 4.065 10.357 1.00 0.00 C ATOM 806 OG1 THR A 53 2.274 4.958 11.418 1.00 0.00 O ATOM 807 CG2 THR A 53 4.076 3.984 10.218 1.00 0.00 C ATOM 0 H THR A 53 1.371 6.455 9.609 1.00 0.00 H new ATOM 0 HA THR A 53 2.397 4.056 8.218 1.00 0.00 H new ATOM 0 HB THR A 53 2.190 3.067 10.576 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.520 4.610 11.938 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.513 3.679 11.169 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.332 3.254 9.450 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.468 4.961 9.935 1.00 0.00 H new ATOM 815 N VAL A 54 0.206 2.951 8.206 1.00 0.00 N ATOM 816 CA VAL A 54 -1.107 2.329 8.087 1.00 0.00 C ATOM 817 C VAL A 54 -1.087 0.935 8.708 1.00 0.00 C ATOM 818 O VAL A 54 -0.418 0.031 8.205 1.00 0.00 O ATOM 819 CB VAL A 54 -1.560 2.238 6.612 1.00 0.00 C ATOM 820 CG1 VAL A 54 -2.936 1.594 6.504 1.00 0.00 C ATOM 821 CG2 VAL A 54 -1.563 3.621 5.976 1.00 0.00 C ATOM 0 H VAL A 54 0.917 2.550 7.594 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.820 2.956 8.622 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.852 1.608 6.074 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.232 1.542 5.456 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.901 0.588 6.922 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.662 2.191 7.057 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.884 3.543 4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.249 4.270 6.520 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.558 4.041 6.015 1.00 0.00 H new ATOM 831 N THR A 55 -1.808 0.770 9.813 1.00 0.00 N ATOM 832 CA THR A 55 -1.851 -0.513 10.509 1.00 0.00 C ATOM 833 C THR A 55 -3.157 -1.253 10.245 1.00 0.00 C ATOM 834 O THR A 55 -4.237 -0.767 10.580 1.00 0.00 O ATOM 835 CB THR A 55 -1.664 -0.311 12.012 1.00 0.00 C ATOM 836 OG1 THR A 55 -0.472 0.410 12.277 1.00 0.00 O ATOM 837 CG2 THR A 55 -1.589 -1.613 12.779 1.00 0.00 C ATOM 0 H THR A 55 -2.368 1.505 10.245 1.00 0.00 H new ATOM 0 HA THR A 55 -1.034 -1.122 10.122 1.00 0.00 H new ATOM 0 HB THR A 55 -2.542 0.243 12.344 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.371 0.531 13.244 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.456 -1.403 13.840 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.512 -2.175 12.633 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.745 -2.201 12.417 1.00 0.00 H new ATOM 845 N GLU A 56 -3.051 -2.434 9.637 1.00 0.00 N ATOM 846 CA GLU A 56 -4.224 -3.244 9.323 1.00 0.00 C ATOM 847 C GLU A 56 -5.058 -3.485 10.578 1.00 0.00 C ATOM 848 O GLU A 56 -6.049 -2.751 10.778 1.00 0.00 O ATOM 849 CB GLU A 56 -3.786 -4.581 8.713 1.00 0.00 C ATOM 850 CG GLU A 56 -4.894 -5.348 7.999 1.00 0.00 C ATOM 851 CD GLU A 56 -6.022 -5.782 8.922 1.00 0.00 C ATOM 852 OE1 GLU A 56 -6.813 -4.915 9.347 1.00 0.00 O ATOM 853 OE2 GLU A 56 -6.112 -6.992 9.216 1.00 0.00 O ATOM 854 OXT GLU A 56 -4.714 -4.406 11.350 1.00 0.00 O ATOM 0 H GLU A 56 -2.164 -2.850 9.353 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.838 -2.707 8.600 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.978 -4.395 8.006 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.379 -5.210 9.505 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.304 -4.724 7.205 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.466 -6.230 7.522 1.00 0.00 H new TER 861 GLU A 56 ATOM 862 N MET B 1 6.449 18.735 -1.792 1.00 0.00 N ATOM 863 CA MET B 1 7.390 17.854 -1.053 1.00 0.00 C ATOM 864 C MET B 1 6.988 16.388 -1.171 1.00 0.00 C ATOM 865 O MET B 1 5.870 16.069 -1.576 1.00 0.00 O ATOM 866 CB MET B 1 7.400 18.267 0.420 1.00 0.00 C ATOM 867 CG MET B 1 7.930 19.670 0.662 1.00 0.00 C ATOM 868 SD MET B 1 7.931 20.119 2.410 1.00 0.00 S ATOM 869 CE MET B 1 9.019 18.863 3.079 1.00 0.00 C ATOM 0 H1 MET B 1 6.986 19.367 -2.419 1.00 0.00 H new ATOM 0 H2 MET B 1 5.801 18.152 -2.360 1.00 0.00 H new ATOM 0 H3 MET B 1 5.901 19.303 -1.115 1.00 0.00 H new ATOM 0 HA MET B 1 8.384 17.964 -1.486 1.00 0.00 H new ATOM 0 HB2 MET B 1 6.386 18.200 0.813 1.00 0.00 H new ATOM 0 HB3 MET B 1 8.007 17.558 0.982 1.00 0.00 H new ATOM 0 HG2 MET B 1 8.945 19.744 0.271 1.00 0.00 H new ATOM 0 HG3 MET B 1 7.322 20.385 0.107 1.00 0.00 H new ATOM 0 HE1 MET B 1 9.487 19.235 3.990 1.00 0.00 H new ATOM 0 HE2 MET B 1 8.443 17.966 3.307 1.00 0.00 H new ATOM 0 HE3 MET B 1 9.790 18.622 2.347 1.00 0.00 H new ATOM 881 N GLN B 2 7.905 15.504 -0.799 1.00 0.00 N ATOM 882 CA GLN B 2 7.651 14.071 -0.842 1.00 0.00 C ATOM 883 C GLN B 2 7.444 13.537 0.570 1.00 0.00 C ATOM 884 O GLN B 2 8.097 13.984 1.513 1.00 0.00 O ATOM 885 CB GLN B 2 8.815 13.339 -1.514 1.00 0.00 C ATOM 886 CG GLN B 2 8.616 11.835 -1.599 1.00 0.00 C ATOM 887 CD GLN B 2 9.781 11.129 -2.266 1.00 0.00 C ATOM 888 OE1 GLN B 2 10.917 11.200 -1.796 1.00 0.00 O ATOM 889 NE2 GLN B 2 9.502 10.444 -3.370 1.00 0.00 N ATOM 0 H GLN B 2 8.834 15.756 -0.463 1.00 0.00 H new ATOM 0 HA GLN B 2 6.748 13.895 -1.426 1.00 0.00 H new ATOM 0 HB2 GLN B 2 8.952 13.737 -2.519 1.00 0.00 H new ATOM 0 HB3 GLN B 2 9.732 13.546 -0.961 1.00 0.00 H new ATOM 0 HG2 GLN B 2 8.479 11.433 -0.595 1.00 0.00 H new ATOM 0 HG3 GLN B 2 7.702 11.624 -2.154 1.00 0.00 H new ATOM 0 HE21 GLN B 2 8.546 10.413 -3.723 1.00 0.00 H new ATOM 0 HE22 GLN B 2 10.244 9.949 -3.864 1.00 0.00 H new ATOM 898 N TYR B 3 6.531 12.586 0.717 1.00 0.00 N ATOM 899 CA TYR B 3 6.246 12.006 2.023 1.00 0.00 C ATOM 900 C TYR B 3 6.427 10.495 2.005 1.00 0.00 C ATOM 901 O TYR B 3 6.183 9.839 0.992 1.00 0.00 O ATOM 902 CB TYR B 3 4.826 12.363 2.461 1.00 0.00 C ATOM 903 CG TYR B 3 4.615 13.846 2.659 1.00 0.00 C ATOM 904 CD1 TYR B 3 4.520 14.705 1.571 1.00 0.00 C ATOM 905 CD2 TYR B 3 4.515 14.389 3.934 1.00 0.00 C ATOM 906 CE1 TYR B 3 4.329 16.063 1.748 1.00 0.00 C ATOM 907 CE2 TYR B 3 4.325 15.745 4.119 1.00 0.00 C ATOM 908 CZ TYR B 3 4.233 16.576 3.024 1.00 0.00 C ATOM 909 OH TYR B 3 4.045 17.928 3.205 1.00 0.00 O ATOM 0 H TYR B 3 5.977 12.201 -0.048 1.00 0.00 H new ATOM 0 HA TYR B 3 6.954 12.422 2.739 1.00 0.00 H new ATOM 0 HB2 TYR B 3 4.121 12.000 1.713 1.00 0.00 H new ATOM 0 HB3 TYR B 3 4.599 11.844 3.392 1.00 0.00 H new ATOM 0 HD1 TYR B 3 4.597 14.305 0.571 1.00 0.00 H new ATOM 0 HD2 TYR B 3 4.587 13.740 4.795 1.00 0.00 H new ATOM 0 HE1 TYR B 3 4.255 16.718 0.892 1.00 0.00 H new ATOM 0 HE2 TYR B 3 4.249 16.151 5.117 1.00 0.00 H new ATOM 0 HH TYR B 3 3.997 18.126 4.164 1.00 0.00 H new ATOM 919 N LYS B 4 6.856 9.949 3.136 1.00 0.00 N ATOM 920 CA LYS B 4 7.071 8.514 3.259 1.00 0.00 C ATOM 921 C LYS B 4 5.857 7.843 3.890 1.00 0.00 C ATOM 922 O LYS B 4 5.604 7.993 5.084 1.00 0.00 O ATOM 923 CB LYS B 4 8.318 8.235 4.105 1.00 0.00 C ATOM 924 CG LYS B 4 8.634 6.754 4.258 1.00 0.00 C ATOM 925 CD LYS B 4 8.924 6.080 2.921 1.00 0.00 C ATOM 926 CE LYS B 4 10.297 6.454 2.372 1.00 0.00 C ATOM 927 NZ LYS B 4 10.381 7.887 1.975 1.00 0.00 N ATOM 0 H LYS B 4 7.062 10.480 3.982 1.00 0.00 H new ATOM 0 HA LYS B 4 7.219 8.103 2.260 1.00 0.00 H new ATOM 0 HB2 LYS B 4 9.174 8.735 3.651 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.181 8.672 5.094 1.00 0.00 H new ATOM 0 HG2 LYS B 4 9.495 6.635 4.916 1.00 0.00 H new ATOM 0 HG3 LYS B 4 7.794 6.254 4.739 1.00 0.00 H new ATOM 0 HD2 LYS B 4 8.865 4.998 3.041 1.00 0.00 H new ATOM 0 HD3 LYS B 4 8.157 6.363 2.200 1.00 0.00 H new ATOM 0 HE2 LYS B 4 11.056 6.244 3.126 1.00 0.00 H new ATOM 0 HE3 LYS B 4 10.523 5.827 1.509 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 10.864 7.965 1.057 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 9.422 8.282 1.896 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 10.915 8.416 2.694 1.00 0.00 H new ATOM 941 N VAL B 5 5.114 7.091 3.087 1.00 0.00 N ATOM 942 CA VAL B 5 3.938 6.392 3.578 1.00 0.00 C ATOM 943 C VAL B 5 4.283 4.944 3.904 1.00 0.00 C ATOM 944 O VAL B 5 4.675 4.174 3.032 1.00 0.00 O ATOM 945 CB VAL B 5 2.783 6.442 2.556 1.00 0.00 C ATOM 946 CG1 VAL B 5 1.566 5.692 3.078 1.00 0.00 C ATOM 947 CG2 VAL B 5 2.425 7.886 2.228 1.00 0.00 C ATOM 0 H VAL B 5 5.306 6.951 2.095 1.00 0.00 H new ATOM 0 HA VAL B 5 3.607 6.896 4.486 1.00 0.00 H new ATOM 0 HB VAL B 5 3.115 5.952 1.640 1.00 0.00 H new ATOM 0 HG11 VAL B 5 0.765 5.741 2.341 1.00 0.00 H new ATOM 0 HG12 VAL B 5 1.830 4.650 3.258 1.00 0.00 H new ATOM 0 HG13 VAL B 5 1.230 6.147 4.010 1.00 0.00 H new ATOM 0 HG21 VAL B 5 1.609 7.903 1.506 1.00 0.00 H new ATOM 0 HG22 VAL B 5 2.115 8.400 3.138 1.00 0.00 H new ATOM 0 HG23 VAL B 5 3.294 8.389 1.805 1.00 0.00 H new ATOM 957 N ILE B 6 4.151 4.590 5.172 1.00 0.00 N ATOM 958 CA ILE B 6 4.465 3.246 5.631 1.00 0.00 C ATOM 959 C ILE B 6 3.200 2.414 5.835 1.00 0.00 C ATOM 960 O ILE B 6 2.287 2.819 6.549 1.00 0.00 O ATOM 961 CB ILE B 6 5.263 3.291 6.951 1.00 0.00 C ATOM 962 CG1 ILE B 6 6.584 4.032 6.745 1.00 0.00 C ATOM 963 CG2 ILE B 6 5.515 1.887 7.477 1.00 0.00 C ATOM 964 CD1 ILE B 6 7.432 4.115 7.995 1.00 0.00 C ATOM 0 H ILE B 6 3.826 5.219 5.906 1.00 0.00 H new ATOM 0 HA ILE B 6 5.071 2.776 4.856 1.00 0.00 H new ATOM 0 HB ILE B 6 4.673 3.830 7.692 1.00 0.00 H new ATOM 0 HG12 ILE B 6 7.154 3.532 5.962 1.00 0.00 H new ATOM 0 HG13 ILE B 6 6.374 5.041 6.391 1.00 0.00 H new ATOM 0 HG21 ILE B 6 6.079 1.943 8.408 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.562 1.390 7.659 1.00 0.00 H new ATOM 0 HG23 ILE B 6 6.085 1.320 6.741 1.00 0.00 H new ATOM 0 HD11 ILE B 6 8.354 4.654 7.774 1.00 0.00 H new ATOM 0 HD12 ILE B 6 6.881 4.642 8.774 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.673 3.109 8.338 1.00 0.00 H new ATOM 976 N LEU B 7 3.158 1.248 5.201 1.00 0.00 N ATOM 977 CA LEU B 7 2.008 0.360 5.315 1.00 0.00 C ATOM 978 C LEU B 7 2.363 -0.852 6.176 1.00 0.00 C ATOM 979 O LEU B 7 2.873 -1.856 5.676 1.00 0.00 O ATOM 980 CB LEU B 7 1.550 -0.082 3.924 1.00 0.00 C ATOM 981 CG LEU B 7 1.333 1.053 2.927 1.00 0.00 C ATOM 982 CD1 LEU B 7 0.906 0.494 1.578 1.00 0.00 C ATOM 983 CD2 LEU B 7 0.300 2.032 3.463 1.00 0.00 C ATOM 0 H LEU B 7 3.906 0.896 4.604 1.00 0.00 H new ATOM 0 HA LEU B 7 1.190 0.896 5.796 1.00 0.00 H new ATOM 0 HB2 LEU B 7 2.291 -0.769 3.515 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.619 -0.640 4.024 1.00 0.00 H new ATOM 0 HG LEU B 7 2.272 1.590 2.790 1.00 0.00 H new ATOM 0 HD11 LEU B 7 0.754 1.314 0.876 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.682 -0.171 1.198 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -0.024 -0.062 1.693 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.154 2.837 2.743 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.645 1.513 3.623 1.00 0.00 H new ATOM 0 HD23 LEU B 7 0.650 2.449 4.407 1.00 0.00 H new ATOM 995 N ASN B 8 2.100 -0.741 7.478 1.00 0.00 N ATOM 996 CA ASN B 8 2.409 -1.819 8.417 1.00 0.00 C ATOM 997 C ASN B 8 1.179 -2.649 8.767 1.00 0.00 C ATOM 998 O ASN B 8 0.295 -2.193 9.483 1.00 0.00 O ATOM 999 CB ASN B 8 3.018 -1.261 9.704 1.00 0.00 C ATOM 1000 CG ASN B 8 4.339 -0.556 9.476 1.00 0.00 C ATOM 1001 OD1 ASN B 8 4.435 0.678 9.954 1.00 0.00 O flip ATOM 1002 ND2 ASN B 8 5.264 -1.117 8.891 1.00 0.00 N flip ATOM 0 H ASN B 8 1.675 0.082 7.905 1.00 0.00 H new ATOM 0 HA ASN B 8 3.130 -2.467 7.918 1.00 0.00 H new ATOM 0 HB2 ASN B 8 2.315 -0.564 10.160 1.00 0.00 H new ATOM 0 HB3 ASN B 8 3.165 -2.076 10.413 1.00 0.00 H new ATOM 0 HD21 ASN B 8 5.144 -2.067 8.540 1.00 0.00 H new ATOM 0 HD22 ASN B 8 6.151 -0.632 8.756 1.00 0.00 H new ATOM 1009 N GLY B 9 1.145 -3.880 8.276 1.00 0.00 N ATOM 1010 CA GLY B 9 0.033 -4.763 8.569 1.00 0.00 C ATOM 1011 C GLY B 9 0.475 -5.976 9.356 1.00 0.00 C ATOM 1012 O GLY B 9 1.613 -6.038 9.823 1.00 0.00 O ATOM 0 H GLY B 9 1.868 -4.283 7.680 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -0.725 -4.219 9.133 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.433 -5.084 7.637 1.00 0.00 H new ATOM 1016 N LYS B 10 -0.412 -6.950 9.495 1.00 0.00 N ATOM 1017 CA LYS B 10 -0.086 -8.167 10.220 1.00 0.00 C ATOM 1018 C LYS B 10 0.593 -9.161 9.286 1.00 0.00 C ATOM 1019 O LYS B 10 1.685 -9.660 9.568 1.00 0.00 O ATOM 1020 CB LYS B 10 -1.345 -8.790 10.828 1.00 0.00 C ATOM 1021 CG LYS B 10 -1.888 -8.031 12.030 1.00 0.00 C ATOM 1022 CD LYS B 10 -2.191 -6.580 11.696 1.00 0.00 C ATOM 1023 CE LYS B 10 -2.772 -5.848 12.896 1.00 0.00 C ATOM 1024 NZ LYS B 10 -4.062 -6.447 13.338 1.00 0.00 N ATOM 0 H LYS B 10 -1.359 -6.921 9.117 1.00 0.00 H new ATOM 0 HA LYS B 10 0.597 -7.915 11.031 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -2.119 -8.841 10.063 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -1.124 -9.815 11.127 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -2.795 -8.518 12.387 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -1.163 -8.072 12.843 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -1.278 -6.081 11.370 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -2.894 -6.535 10.864 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -2.058 -5.875 13.719 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -2.926 -4.799 12.642 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -4.542 -5.795 13.991 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -4.668 -6.616 12.510 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -3.878 -7.349 13.823 1.00 0.00 H new ATOM 1038 N THR B 11 -0.065 -9.435 8.167 1.00 0.00 N ATOM 1039 CA THR B 11 0.442 -10.356 7.168 1.00 0.00 C ATOM 1040 C THR B 11 1.108 -9.599 6.024 1.00 0.00 C ATOM 1041 O THR B 11 1.692 -10.205 5.125 1.00 0.00 O ATOM 1042 CB THR B 11 -0.709 -11.205 6.634 1.00 0.00 C ATOM 1043 OG1 THR B 11 -1.844 -10.391 6.378 1.00 0.00 O ATOM 1044 CG2 THR B 11 -1.129 -12.311 7.580 1.00 0.00 C ATOM 0 H THR B 11 -0.967 -9.022 7.930 1.00 0.00 H new ATOM 0 HA THR B 11 1.190 -11.001 7.629 1.00 0.00 H new ATOM 0 HB THR B 11 -0.337 -11.665 5.719 1.00 0.00 H new ATOM 0 HG1 THR B 11 -2.656 -10.865 6.656 1.00 0.00 H new ATOM 0 HG21 THR B 11 -1.951 -12.875 7.138 1.00 0.00 H new ATOM 0 HG22 THR B 11 -0.285 -12.978 7.758 1.00 0.00 H new ATOM 0 HG23 THR B 11 -1.454 -11.877 8.526 1.00 0.00 H new ATOM 1052 N LEU B 12 1.019 -8.272 6.063 1.00 0.00 N ATOM 1053 CA LEU B 12 1.615 -7.444 5.029 1.00 0.00 C ATOM 1054 C LEU B 12 2.356 -6.256 5.634 1.00 0.00 C ATOM 1055 O LEU B 12 1.858 -5.595 6.543 1.00 0.00 O ATOM 1056 CB LEU B 12 0.542 -6.958 4.049 1.00 0.00 C ATOM 1057 CG LEU B 12 1.062 -6.097 2.904 1.00 0.00 C ATOM 1058 CD1 LEU B 12 2.274 -6.753 2.275 1.00 0.00 C ATOM 1059 CD2 LEU B 12 -0.027 -5.868 1.864 1.00 0.00 C ATOM 0 H LEU B 12 0.541 -7.752 6.799 1.00 0.00 H new ATOM 0 HA LEU B 12 2.338 -8.053 4.486 1.00 0.00 H new ATOM 0 HB2 LEU B 12 0.034 -7.826 3.630 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.204 -6.388 4.603 1.00 0.00 H new ATOM 0 HG LEU B 12 1.356 -5.125 3.301 1.00 0.00 H new ATOM 0 HD11 LEU B 12 2.640 -6.132 1.457 1.00 0.00 H new ATOM 0 HD12 LEU B 12 3.057 -6.865 3.025 1.00 0.00 H new ATOM 0 HD13 LEU B 12 1.998 -7.734 1.890 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.366 -5.251 1.056 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.354 -6.827 1.462 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.873 -5.362 2.329 1.00 0.00 H new ATOM 1071 N LYS B 13 3.552 -5.996 5.116 1.00 0.00 N ATOM 1072 CA LYS B 13 4.376 -4.888 5.590 1.00 0.00 C ATOM 1073 C LYS B 13 5.155 -4.278 4.427 1.00 0.00 C ATOM 1074 O LYS B 13 5.579 -4.991 3.521 1.00 0.00 O ATOM 1075 CB LYS B 13 5.343 -5.372 6.670 1.00 0.00 C ATOM 1076 CG LYS B 13 4.649 -6.031 7.852 1.00 0.00 C ATOM 1077 CD LYS B 13 5.649 -6.514 8.889 1.00 0.00 C ATOM 1078 CE LYS B 13 4.956 -7.204 10.054 1.00 0.00 C ATOM 1079 NZ LYS B 13 4.175 -8.393 9.611 1.00 0.00 N ATOM 0 H LYS B 13 3.975 -6.540 4.364 1.00 0.00 H new ATOM 0 HA LYS B 13 3.724 -4.126 6.018 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.044 -6.081 6.228 1.00 0.00 H new ATOM 0 HB3 LYS B 13 5.929 -4.526 7.028 1.00 0.00 H new ATOM 0 HG2 LYS B 13 3.961 -5.322 8.312 1.00 0.00 H new ATOM 0 HG3 LYS B 13 4.052 -6.873 7.501 1.00 0.00 H new ATOM 0 HD2 LYS B 13 6.353 -7.204 8.423 1.00 0.00 H new ATOM 0 HD3 LYS B 13 6.229 -5.668 9.259 1.00 0.00 H new ATOM 0 HE2 LYS B 13 5.700 -7.512 10.788 1.00 0.00 H new ATOM 0 HE3 LYS B 13 4.291 -6.498 10.551 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 3.159 -8.176 9.651 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 4.438 -8.637 8.635 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 4.382 -9.197 10.237 1.00 0.00 H new ATOM 1093 N GLY B 14 5.344 -2.961 4.453 1.00 0.00 N ATOM 1094 CA GLY B 14 6.074 -2.313 3.377 1.00 0.00 C ATOM 1095 C GLY B 14 6.212 -0.815 3.553 1.00 0.00 C ATOM 1096 O GLY B 14 5.925 -0.273 4.620 1.00 0.00 O ATOM 0 H GLY B 14 5.010 -2.339 5.189 1.00 0.00 H new ATOM 0 HA2 GLY B 14 7.068 -2.755 3.306 1.00 0.00 H new ATOM 0 HA3 GLY B 14 5.567 -2.514 2.433 1.00 0.00 H new ATOM 1100 N GLU B 15 6.654 -0.148 2.491 1.00 0.00 N ATOM 1101 CA GLU B 15 6.838 1.296 2.507 1.00 0.00 C ATOM 1102 C GLU B 15 6.523 1.900 1.141 1.00 0.00 C ATOM 1103 O GLU B 15 6.825 1.310 0.103 1.00 0.00 O ATOM 1104 CB GLU B 15 8.269 1.649 2.920 1.00 0.00 C ATOM 1105 CG GLU B 15 8.640 1.150 4.309 1.00 0.00 C ATOM 1106 CD GLU B 15 10.057 1.515 4.707 1.00 0.00 C ATOM 1107 OE1 GLU B 15 10.757 2.158 3.896 1.00 0.00 O ATOM 1108 OE2 GLU B 15 10.467 1.157 5.833 1.00 0.00 O ATOM 0 H GLU B 15 6.892 -0.590 1.603 1.00 0.00 H new ATOM 0 HA GLU B 15 6.146 1.716 3.237 1.00 0.00 H new ATOM 0 HB2 GLU B 15 8.963 1.227 2.193 1.00 0.00 H new ATOM 0 HB3 GLU B 15 8.392 2.732 2.887 1.00 0.00 H new ATOM 0 HG2 GLU B 15 7.944 1.567 5.037 1.00 0.00 H new ATOM 0 HG3 GLU B 15 8.526 0.067 4.343 1.00 0.00 H new ATOM 1115 N THR B 16 5.909 3.075 1.155 1.00 0.00 N ATOM 1116 CA THR B 16 5.537 3.772 -0.068 1.00 0.00 C ATOM 1117 C THR B 16 5.756 5.278 0.075 1.00 0.00 C ATOM 1118 O THR B 16 6.028 5.766 1.169 1.00 0.00 O ATOM 1119 CB THR B 16 4.083 3.452 -0.439 1.00 0.00 C ATOM 1120 OG1 THR B 16 3.563 4.434 -1.297 1.00 0.00 O ATOM 1121 CG2 THR B 16 3.155 3.335 0.753 1.00 0.00 C ATOM 0 H THR B 16 5.656 3.570 2.010 1.00 0.00 H new ATOM 0 HA THR B 16 6.179 3.423 -0.877 1.00 0.00 H new ATOM 0 HB THR B 16 4.124 2.479 -0.928 1.00 0.00 H new ATOM 0 HG1 THR B 16 2.584 4.383 -1.297 1.00 0.00 H new ATOM 0 HG21 THR B 16 2.146 3.108 0.408 1.00 0.00 H new ATOM 0 HG22 THR B 16 3.503 2.536 1.408 1.00 0.00 H new ATOM 0 HG23 THR B 16 3.147 4.277 1.302 1.00 0.00 H new ATOM 1129 N THR B 17 5.671 6.011 -1.039 1.00 0.00 N ATOM 1130 CA THR B 17 5.895 7.458 -1.007 1.00 0.00 C ATOM 1131 C THR B 17 4.982 8.228 -1.963 1.00 0.00 C ATOM 1132 O THR B 17 4.998 8.007 -3.174 1.00 0.00 O ATOM 1133 CB THR B 17 7.353 7.760 -1.350 1.00 0.00 C ATOM 1134 OG1 THR B 17 7.676 7.268 -2.638 1.00 0.00 O ATOM 1135 CG2 THR B 17 8.334 7.159 -0.369 1.00 0.00 C ATOM 0 H THR B 17 5.452 5.633 -1.961 1.00 0.00 H new ATOM 0 HA THR B 17 5.658 7.791 0.003 1.00 0.00 H new ATOM 0 HB THR B 17 7.442 8.846 -1.308 1.00 0.00 H new ATOM 0 HG1 THR B 17 6.875 7.279 -3.203 1.00 0.00 H new ATOM 0 HG21 THR B 17 9.351 7.411 -0.671 1.00 0.00 H new ATOM 0 HG22 THR B 17 8.142 7.557 0.627 1.00 0.00 H new ATOM 0 HG23 THR B 17 8.218 6.075 -0.356 1.00 0.00 H new ATOM 1143 N THR B 18 4.210 9.157 -1.401 1.00 0.00 N ATOM 1144 CA THR B 18 3.306 10.004 -2.176 1.00 0.00 C ATOM 1145 C THR B 18 3.844 11.434 -2.214 1.00 0.00 C ATOM 1146 O THR B 18 4.448 11.901 -1.249 1.00 0.00 O ATOM 1147 CB THR B 18 1.905 9.996 -1.556 1.00 0.00 C ATOM 1148 OG1 THR B 18 1.001 10.721 -2.366 1.00 0.00 O ATOM 1149 CG2 THR B 18 1.856 10.595 -0.166 1.00 0.00 C ATOM 0 H THR B 18 4.194 9.343 -0.398 1.00 0.00 H new ATOM 0 HA THR B 18 3.243 9.613 -3.191 1.00 0.00 H new ATOM 0 HB THR B 18 1.626 8.945 -1.487 1.00 0.00 H new ATOM 0 HG1 THR B 18 1.243 10.608 -3.309 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.834 10.556 0.211 1.00 0.00 H new ATOM 0 HG22 THR B 18 2.509 10.028 0.498 1.00 0.00 H new ATOM 0 HG23 THR B 18 2.189 11.632 -0.205 1.00 0.00 H new ATOM 1157 N GLU B 19 3.622 12.127 -3.324 1.00 0.00 N ATOM 1158 CA GLU B 19 4.087 13.504 -3.466 1.00 0.00 C ATOM 1159 C GLU B 19 2.911 14.471 -3.392 1.00 0.00 C ATOM 1160 O GLU B 19 2.020 14.438 -4.243 1.00 0.00 O ATOM 1161 CB GLU B 19 4.829 13.680 -4.791 1.00 0.00 C ATOM 1162 CG GLU B 19 5.354 15.090 -5.014 1.00 0.00 C ATOM 1163 CD GLU B 19 6.084 15.236 -6.334 1.00 0.00 C ATOM 1164 OE1 GLU B 19 7.094 14.528 -6.536 1.00 0.00 O ATOM 1165 OE2 GLU B 19 5.648 16.060 -7.166 1.00 0.00 O ATOM 0 H GLU B 19 3.125 11.762 -4.136 1.00 0.00 H new ATOM 0 HA GLU B 19 4.773 13.724 -2.648 1.00 0.00 H new ATOM 0 HB2 GLU B 19 5.665 12.981 -4.825 1.00 0.00 H new ATOM 0 HB3 GLU B 19 4.160 13.417 -5.610 1.00 0.00 H new ATOM 0 HG2 GLU B 19 4.522 15.793 -4.983 1.00 0.00 H new ATOM 0 HG3 GLU B 19 6.027 15.357 -4.199 1.00 0.00 H new ATOM 1172 N ALA B 20 2.900 15.325 -2.371 1.00 0.00 N ATOM 1173 CA ALA B 20 1.815 16.285 -2.202 1.00 0.00 C ATOM 1174 C ALA B 20 2.313 17.607 -1.621 1.00 0.00 C ATOM 1175 O ALA B 20 3.289 17.647 -0.872 1.00 0.00 O ATOM 1176 CB ALA B 20 0.730 15.696 -1.313 1.00 0.00 C ATOM 0 H ALA B 20 3.624 15.371 -1.654 1.00 0.00 H new ATOM 0 HA ALA B 20 1.401 16.494 -3.188 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -0.075 16.421 -1.193 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.337 14.789 -1.772 1.00 0.00 H new ATOM 0 HB3 ALA B 20 1.150 15.456 -0.336 1.00 0.00 H new ATOM 1182 N VAL B 21 1.639 18.688 -1.998 1.00 0.00 N ATOM 1183 CA VAL B 21 2.002 20.032 -1.550 1.00 0.00 C ATOM 1184 C VAL B 21 2.154 20.101 -0.029 1.00 0.00 C ATOM 1185 O VAL B 21 2.898 20.932 0.490 1.00 0.00 O ATOM 1186 CB VAL B 21 0.947 21.063 -1.989 1.00 0.00 C ATOM 1187 CG1 VAL B 21 1.412 22.478 -1.675 1.00 0.00 C ATOM 1188 CG2 VAL B 21 0.631 20.907 -3.468 1.00 0.00 C ATOM 0 H VAL B 21 0.830 18.661 -2.619 1.00 0.00 H new ATOM 0 HA VAL B 21 2.961 20.266 -2.012 1.00 0.00 H new ATOM 0 HB VAL B 21 0.032 20.879 -1.426 1.00 0.00 H new ATOM 0 HG11 VAL B 21 0.651 23.190 -1.994 1.00 0.00 H new ATOM 0 HG12 VAL B 21 1.575 22.578 -0.602 1.00 0.00 H new ATOM 0 HG13 VAL B 21 2.343 22.681 -2.204 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -0.117 21.644 -3.760 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.539 21.060 -4.052 1.00 0.00 H new ATOM 0 HG23 VAL B 21 0.244 19.905 -3.654 1.00 0.00 H new ATOM 1198 N ASP B 22 1.454 19.221 0.678 1.00 0.00 N ATOM 1199 CA ASP B 22 1.532 19.192 2.137 1.00 0.00 C ATOM 1200 C ASP B 22 1.167 17.818 2.690 1.00 0.00 C ATOM 1201 O ASP B 22 0.834 16.903 1.936 1.00 0.00 O ATOM 1202 CB ASP B 22 0.625 20.266 2.742 1.00 0.00 C ATOM 1203 CG ASP B 22 -0.840 20.033 2.433 1.00 0.00 C ATOM 1204 OD1 ASP B 22 -1.388 19.014 2.899 1.00 0.00 O ATOM 1205 OD2 ASP B 22 -1.439 20.871 1.726 1.00 0.00 O ATOM 0 H ASP B 22 0.831 18.523 0.271 1.00 0.00 H new ATOM 0 HA ASP B 22 2.564 19.401 2.417 1.00 0.00 H new ATOM 0 HB2 ASP B 22 0.765 20.288 3.823 1.00 0.00 H new ATOM 0 HB3 ASP B 22 0.922 21.243 2.362 1.00 0.00 H new ATOM 1210 N ALA B 23 1.238 17.681 4.009 1.00 0.00 N ATOM 1211 CA ALA B 23 0.922 16.417 4.664 1.00 0.00 C ATOM 1212 C ALA B 23 -0.524 16.012 4.418 1.00 0.00 C ATOM 1213 O ALA B 23 -0.813 14.849 4.135 1.00 0.00 O ATOM 1214 CB ALA B 23 1.204 16.507 6.156 1.00 0.00 C ATOM 0 H ALA B 23 1.511 18.429 4.646 1.00 0.00 H new ATOM 0 HA ALA B 23 1.562 15.647 4.232 1.00 0.00 H new ATOM 0 HB1 ALA B 23 0.963 15.555 6.630 1.00 0.00 H new ATOM 0 HB2 ALA B 23 2.258 16.734 6.314 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.593 17.296 6.595 1.00 0.00 H new ATOM 1220 N ALA B 24 -1.429 16.976 4.517 1.00 0.00 N ATOM 1221 CA ALA B 24 -2.845 16.711 4.293 1.00 0.00 C ATOM 1222 C ALA B 24 -3.062 16.221 2.870 1.00 0.00 C ATOM 1223 O ALA B 24 -3.608 15.141 2.653 1.00 0.00 O ATOM 1224 CB ALA B 24 -3.675 17.953 4.571 1.00 0.00 C ATOM 0 H ALA B 24 -1.210 17.945 4.750 1.00 0.00 H new ATOM 0 HA ALA B 24 -3.170 15.932 4.983 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -4.728 17.733 4.398 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.534 18.260 5.607 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -3.359 18.758 3.908 1.00 0.00 H new ATOM 1230 N THR B 25 -2.598 17.006 1.900 1.00 0.00 N ATOM 1231 CA THR B 25 -2.713 16.630 0.504 1.00 0.00 C ATOM 1232 C THR B 25 -2.189 15.216 0.324 1.00 0.00 C ATOM 1233 O THR B 25 -2.826 14.378 -0.312 1.00 0.00 O ATOM 1234 CB THR B 25 -1.929 17.608 -0.369 1.00 0.00 C ATOM 1235 OG1 THR B 25 -0.578 17.678 0.047 1.00 0.00 O ATOM 1236 CG2 THR B 25 -2.491 19.012 -0.350 1.00 0.00 C ATOM 0 H THR B 25 -2.141 17.903 2.061 1.00 0.00 H new ATOM 0 HA THR B 25 -3.759 16.665 0.200 1.00 0.00 H new ATOM 0 HB THR B 25 -2.010 17.218 -1.384 1.00 0.00 H new ATOM 0 HG1 THR B 25 -0.506 17.380 0.978 1.00 0.00 H new ATOM 0 HG21 THR B 25 -1.887 19.654 -0.991 1.00 0.00 H new ATOM 0 HG22 THR B 25 -3.518 18.998 -0.715 1.00 0.00 H new ATOM 0 HG23 THR B 25 -2.474 19.397 0.670 1.00 0.00 H new ATOM 1244 N ALA B 26 -1.036 14.950 0.933 1.00 0.00 N ATOM 1245 CA ALA B 26 -0.443 13.626 0.877 1.00 0.00 C ATOM 1246 C ALA B 26 -1.421 12.615 1.454 1.00 0.00 C ATOM 1247 O ALA B 26 -1.734 11.606 0.822 1.00 0.00 O ATOM 1248 CB ALA B 26 0.875 13.596 1.637 1.00 0.00 C ATOM 0 H ALA B 26 -0.500 15.633 1.467 1.00 0.00 H new ATOM 0 HA ALA B 26 -0.233 13.369 -0.161 1.00 0.00 H new ATOM 0 HB1 ALA B 26 1.303 12.595 1.583 1.00 0.00 H new ATOM 0 HB2 ALA B 26 1.567 14.311 1.193 1.00 0.00 H new ATOM 0 HB3 ALA B 26 0.700 13.860 2.680 1.00 0.00 H new ATOM 1254 N GLU B 27 -1.919 12.900 2.660 1.00 0.00 N ATOM 1255 CA GLU B 27 -2.879 12.028 3.320 1.00 0.00 C ATOM 1256 C GLU B 27 -4.028 11.685 2.382 1.00 0.00 C ATOM 1257 O GLU B 27 -4.352 10.517 2.190 1.00 0.00 O ATOM 1258 CB GLU B 27 -3.425 12.697 4.585 1.00 0.00 C ATOM 1259 CG GLU B 27 -4.517 11.903 5.282 1.00 0.00 C ATOM 1260 CD GLU B 27 -4.064 10.517 5.694 1.00 0.00 C ATOM 1261 OE1 GLU B 27 -3.086 10.416 6.465 1.00 0.00 O ATOM 1262 OE2 GLU B 27 -4.689 9.534 5.249 1.00 0.00 O ATOM 0 H GLU B 27 -1.669 13.731 3.196 1.00 0.00 H new ATOM 0 HA GLU B 27 -2.366 11.107 3.597 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -2.603 12.856 5.283 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -3.816 13.681 4.324 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -4.849 12.449 6.165 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -5.377 11.817 4.618 1.00 0.00 H new ATOM 1269 N LYS B 28 -4.626 12.711 1.786 1.00 0.00 N ATOM 1270 CA LYS B 28 -5.730 12.510 0.857 1.00 0.00 C ATOM 1271 C LYS B 28 -5.267 11.748 -0.372 1.00 0.00 C ATOM 1272 O LYS B 28 -5.884 10.760 -0.767 1.00 0.00 O ATOM 1273 CB LYS B 28 -6.343 13.856 0.466 1.00 0.00 C ATOM 1274 CG LYS B 28 -7.287 14.417 1.520 1.00 0.00 C ATOM 1275 CD LYS B 28 -6.705 14.288 2.918 1.00 0.00 C ATOM 1276 CE LYS B 28 -7.635 14.879 3.966 1.00 0.00 C ATOM 1277 NZ LYS B 28 -8.959 14.196 3.983 1.00 0.00 N ATOM 0 H LYS B 28 -4.365 13.687 1.929 1.00 0.00 H new ATOM 0 HA LYS B 28 -6.496 11.913 1.352 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.542 14.574 0.287 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.885 13.742 -0.473 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -7.491 15.466 1.305 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -8.240 13.891 1.472 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -6.524 13.237 3.142 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -5.740 14.794 2.960 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -7.172 14.798 4.949 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -7.777 15.941 3.767 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -9.486 14.482 4.832 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -9.498 14.462 3.134 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -8.818 13.166 3.994 1.00 0.00 H new ATOM 1291 N VAL B 29 -4.167 12.195 -0.971 1.00 0.00 N ATOM 1292 CA VAL B 29 -3.631 11.521 -2.144 1.00 0.00 C ATOM 1293 C VAL B 29 -3.397 10.053 -1.827 1.00 0.00 C ATOM 1294 O VAL B 29 -3.724 9.173 -2.624 1.00 0.00 O ATOM 1295 CB VAL B 29 -2.314 12.168 -2.619 1.00 0.00 C ATOM 1296 CG1 VAL B 29 -1.770 11.450 -3.844 1.00 0.00 C ATOM 1297 CG2 VAL B 29 -2.522 13.649 -2.909 1.00 0.00 C ATOM 0 H VAL B 29 -3.636 13.011 -0.667 1.00 0.00 H new ATOM 0 HA VAL B 29 -4.360 11.616 -2.949 1.00 0.00 H new ATOM 0 HB VAL B 29 -1.579 12.074 -1.820 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -0.841 11.924 -4.161 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.579 10.405 -3.599 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -2.499 11.505 -4.652 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -1.583 14.090 -3.243 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -3.275 13.765 -3.689 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -2.858 14.154 -2.003 1.00 0.00 H new ATOM 1307 N VAL B 30 -2.871 9.797 -0.638 1.00 0.00 N ATOM 1308 CA VAL B 30 -2.644 8.437 -0.192 1.00 0.00 C ATOM 1309 C VAL B 30 -3.996 7.761 -0.007 1.00 0.00 C ATOM 1310 O VAL B 30 -4.233 6.669 -0.519 1.00 0.00 O ATOM 1311 CB VAL B 30 -1.849 8.396 1.127 1.00 0.00 C ATOM 1312 CG1 VAL B 30 -1.629 6.961 1.583 1.00 0.00 C ATOM 1313 CG2 VAL B 30 -0.521 9.118 0.967 1.00 0.00 C ATOM 0 H VAL B 30 -2.595 10.515 0.032 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.052 7.913 -0.942 1.00 0.00 H new ATOM 0 HB VAL B 30 -2.431 8.907 1.894 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.066 6.958 2.516 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -2.593 6.477 1.740 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -1.071 6.418 0.820 1.00 0.00 H new ATOM 0 HG21 VAL B 30 0.029 9.080 1.907 1.00 0.00 H new ATOM 0 HG22 VAL B 30 0.064 8.634 0.185 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -0.703 10.158 0.694 1.00 0.00 H new ATOM 1323 N LYS B 31 -4.897 8.440 0.712 1.00 0.00 N ATOM 1324 CA LYS B 31 -6.242 7.922 0.943 1.00 0.00 C ATOM 1325 C LYS B 31 -6.845 7.414 -0.354 1.00 0.00 C ATOM 1326 O LYS B 31 -7.380 6.307 -0.419 1.00 0.00 O ATOM 1327 CB LYS B 31 -7.161 9.005 1.518 1.00 0.00 C ATOM 1328 CG LYS B 31 -6.874 9.360 2.962 1.00 0.00 C ATOM 1329 CD LYS B 31 -7.087 8.175 3.879 1.00 0.00 C ATOM 1330 CE LYS B 31 -8.533 8.067 4.335 1.00 0.00 C ATOM 1331 NZ LYS B 31 -9.461 7.827 3.196 1.00 0.00 N ATOM 0 H LYS B 31 -4.716 9.347 1.141 1.00 0.00 H new ATOM 0 HA LYS B 31 -6.157 7.105 1.659 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -7.069 9.904 0.909 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -8.195 8.669 1.437 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -5.846 9.712 3.054 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -7.521 10.181 3.271 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -6.799 7.259 3.362 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -6.437 8.267 4.749 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -8.626 7.255 5.056 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -8.820 8.984 4.850 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -10.319 7.352 3.542 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -9.719 8.736 2.761 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -8.994 7.225 2.488 1.00 0.00 H new ATOM 1345 N GLN B 32 -6.763 8.247 -1.381 1.00 0.00 N ATOM 1346 CA GLN B 32 -7.317 7.889 -2.673 1.00 0.00 C ATOM 1347 C GLN B 32 -6.629 6.643 -3.216 1.00 0.00 C ATOM 1348 O GLN B 32 -7.254 5.811 -3.871 1.00 0.00 O ATOM 1349 CB GLN B 32 -7.194 9.043 -3.667 1.00 0.00 C ATOM 1350 CG GLN B 32 -8.164 8.918 -4.825 1.00 0.00 C ATOM 1351 CD GLN B 32 -9.603 9.082 -4.372 1.00 0.00 C ATOM 1352 OE1 GLN B 32 -10.176 8.016 -3.822 1.00 0.00 O flip ATOM 1353 NE2 GLN B 32 -10.178 10.166 -4.474 1.00 0.00 N flip ATOM 0 H GLN B 32 -6.322 9.166 -1.344 1.00 0.00 H new ATOM 0 HA GLN B 32 -8.377 7.675 -2.538 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -7.372 9.985 -3.149 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -6.175 9.079 -4.053 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -7.931 9.671 -5.578 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -8.041 7.945 -5.300 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -9.700 10.958 -4.903 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -11.132 10.272 -4.129 1.00 0.00 H new ATOM 1362 N PHE B 33 -5.340 6.517 -2.925 1.00 0.00 N ATOM 1363 CA PHE B 33 -4.560 5.366 -3.365 1.00 0.00 C ATOM 1364 C PHE B 33 -5.269 4.069 -2.974 1.00 0.00 C ATOM 1365 O PHE B 33 -5.820 3.363 -3.819 1.00 0.00 O ATOM 1366 CB PHE B 33 -3.161 5.427 -2.735 1.00 0.00 C ATOM 1367 CG PHE B 33 -2.164 4.503 -3.368 1.00 0.00 C ATOM 1368 CD1 PHE B 33 -1.830 4.644 -4.704 1.00 0.00 C ATOM 1369 CD2 PHE B 33 -1.563 3.490 -2.632 1.00 0.00 C ATOM 1370 CE1 PHE B 33 -0.917 3.796 -5.297 1.00 0.00 C ATOM 1371 CE2 PHE B 33 -0.648 2.639 -3.221 1.00 0.00 C ATOM 1372 CZ PHE B 33 -0.325 2.794 -4.557 1.00 0.00 C ATOM 0 H PHE B 33 -4.811 7.201 -2.384 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.462 5.388 -4.450 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -2.788 6.449 -2.803 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.241 5.187 -1.675 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -2.289 5.427 -5.289 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -1.814 3.366 -1.589 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -0.666 3.917 -6.340 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -0.186 1.855 -2.640 1.00 0.00 H new ATOM 0 HZ PHE B 33 0.390 2.131 -5.020 1.00 0.00 H new ATOM 1382 N PHE B 34 -5.247 3.773 -1.682 1.00 0.00 N ATOM 1383 CA PHE B 34 -5.881 2.574 -1.148 1.00 0.00 C ATOM 1384 C PHE B 34 -7.381 2.588 -1.409 1.00 0.00 C ATOM 1385 O PHE B 34 -7.975 1.556 -1.714 1.00 0.00 O ATOM 1386 CB PHE B 34 -5.573 2.457 0.337 1.00 0.00 C ATOM 1387 CG PHE B 34 -4.099 2.486 0.585 1.00 0.00 C ATOM 1388 CD1 PHE B 34 -3.270 1.580 -0.051 1.00 0.00 C ATOM 1389 CD2 PHE B 34 -3.541 3.433 1.419 1.00 0.00 C ATOM 1390 CE1 PHE B 34 -1.906 1.616 0.145 1.00 0.00 C ATOM 1391 CE2 PHE B 34 -2.177 3.473 1.625 1.00 0.00 C ATOM 1392 CZ PHE B 34 -1.359 2.563 0.984 1.00 0.00 C ATOM 0 H PHE B 34 -4.792 4.353 -0.977 1.00 0.00 H new ATOM 0 HA PHE B 34 -5.478 1.698 -1.657 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -6.052 3.274 0.876 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -5.992 1.529 0.727 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -3.696 0.836 -0.708 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -4.178 4.150 1.916 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -1.268 0.904 -0.357 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -1.750 4.214 2.285 1.00 0.00 H new ATOM 0 HZ PHE B 34 -0.291 2.594 1.140 1.00 0.00 H new ATOM 1402 N ASN B 35 -7.983 3.765 -1.313 1.00 0.00 N ATOM 1403 CA ASN B 35 -9.410 3.916 -1.568 1.00 0.00 C ATOM 1404 C ASN B 35 -9.763 3.286 -2.915 1.00 0.00 C ATOM 1405 O ASN B 35 -10.811 2.661 -3.078 1.00 0.00 O ATOM 1406 CB ASN B 35 -9.764 5.401 -1.585 1.00 0.00 C ATOM 1407 CG ASN B 35 -11.231 5.650 -1.848 1.00 0.00 C ATOM 1408 OD1 ASN B 35 -11.803 5.139 -2.811 1.00 0.00 O ATOM 1409 ND2 ASN B 35 -11.842 6.460 -0.997 1.00 0.00 N ATOM 0 H ASN B 35 -7.506 4.630 -1.060 1.00 0.00 H new ATOM 0 HA ASN B 35 -9.976 3.416 -0.782 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -9.490 5.846 -0.628 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -9.172 5.902 -2.351 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -12.829 6.684 -1.125 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -11.326 6.860 -0.213 1.00 0.00 H new ATOM 1416 N ASP B 36 -8.860 3.476 -3.872 1.00 0.00 N ATOM 1417 CA ASP B 36 -9.030 2.951 -5.225 1.00 0.00 C ATOM 1418 C ASP B 36 -8.347 1.593 -5.417 1.00 0.00 C ATOM 1419 O ASP B 36 -8.739 0.820 -6.292 1.00 0.00 O ATOM 1420 CB ASP B 36 -8.497 3.952 -6.251 1.00 0.00 C ATOM 1421 CG ASP B 36 -9.272 5.256 -6.245 1.00 0.00 C ATOM 1422 OD1 ASP B 36 -9.330 5.907 -5.181 1.00 0.00 O ATOM 1423 OD2 ASP B 36 -9.820 5.625 -7.305 1.00 0.00 O ATOM 0 H ASP B 36 -7.993 3.996 -3.734 1.00 0.00 H new ATOM 0 HA ASP B 36 -10.099 2.801 -5.377 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -7.447 4.156 -6.043 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -8.545 3.509 -7.246 1.00 0.00 H new ATOM 1428 N ASN B 37 -7.334 1.296 -4.606 1.00 0.00 N ATOM 1429 CA ASN B 37 -6.629 0.018 -4.717 1.00 0.00 C ATOM 1430 C ASN B 37 -7.422 -1.084 -4.028 1.00 0.00 C ATOM 1431 O ASN B 37 -7.554 -2.193 -4.548 1.00 0.00 O ATOM 1432 CB ASN B 37 -5.233 0.098 -4.095 1.00 0.00 C ATOM 1433 CG ASN B 37 -4.335 1.109 -4.777 1.00 0.00 C ATOM 1434 OD1 ASN B 37 -4.278 1.175 -6.006 1.00 0.00 O ATOM 1435 ND2 ASN B 37 -3.602 1.881 -3.984 1.00 0.00 N ATOM 0 H ASN B 37 -6.985 1.913 -3.873 1.00 0.00 H new ATOM 0 HA ASN B 37 -6.527 -0.211 -5.778 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -5.326 0.357 -3.040 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -4.764 -0.885 -4.142 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -2.960 2.563 -4.388 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -3.681 1.793 -2.971 1.00 0.00 H new ATOM 1442 N GLY B 38 -7.936 -0.746 -2.847 1.00 0.00 N ATOM 1443 CA GLY B 38 -8.723 -1.654 -2.026 1.00 0.00 C ATOM 1444 C GLY B 38 -9.094 -2.979 -2.673 1.00 0.00 C ATOM 1445 O GLY B 38 -8.238 -3.836 -2.901 1.00 0.00 O ATOM 0 H GLY B 38 -7.814 0.178 -2.432 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -8.167 -1.861 -1.112 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -9.641 -1.145 -1.733 1.00 0.00 H new ATOM 1449 N VAL B 39 -10.390 -3.171 -2.889 1.00 0.00 N ATOM 1450 CA VAL B 39 -10.910 -4.426 -3.423 1.00 0.00 C ATOM 1451 C VAL B 39 -10.823 -4.571 -4.943 1.00 0.00 C ATOM 1452 O VAL B 39 -10.290 -5.566 -5.433 1.00 0.00 O ATOM 1453 CB VAL B 39 -12.372 -4.633 -2.976 1.00 0.00 C ATOM 1454 CG1 VAL B 39 -12.950 -5.917 -3.557 1.00 0.00 C ATOM 1455 CG2 VAL B 39 -12.461 -4.640 -1.457 1.00 0.00 C ATOM 0 H VAL B 39 -11.105 -2.469 -2.701 1.00 0.00 H new ATOM 0 HA VAL B 39 -10.258 -5.196 -3.010 1.00 0.00 H new ATOM 0 HB VAL B 39 -12.966 -3.802 -3.357 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -13.981 -6.035 -3.224 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -12.923 -5.868 -4.646 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -12.359 -6.768 -3.218 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -13.498 -4.787 -1.154 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -11.849 -5.450 -1.060 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -12.100 -3.688 -1.067 1.00 0.00 H new ATOM 1465 N ASP B 40 -11.380 -3.633 -5.697 1.00 0.00 N ATOM 1466 CA ASP B 40 -11.380 -3.747 -7.157 1.00 0.00 C ATOM 1467 C ASP B 40 -10.152 -3.114 -7.810 1.00 0.00 C ATOM 1468 O ASP B 40 -10.203 -2.719 -8.974 1.00 0.00 O ATOM 1469 CB ASP B 40 -12.648 -3.111 -7.730 1.00 0.00 C ATOM 1470 CG ASP B 40 -13.913 -3.779 -7.226 1.00 0.00 C ATOM 1471 OD1 ASP B 40 -13.806 -4.737 -6.430 1.00 0.00 O ATOM 1472 OD2 ASP B 40 -15.014 -3.344 -7.627 1.00 0.00 O ATOM 0 H ASP B 40 -11.833 -2.795 -5.333 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.350 -4.812 -7.386 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -12.670 -2.053 -7.467 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -12.620 -3.169 -8.818 1.00 0.00 H new ATOM 1477 N GLY B 41 -9.053 -3.023 -7.074 1.00 0.00 N ATOM 1478 CA GLY B 41 -7.848 -2.442 -7.635 1.00 0.00 C ATOM 1479 C GLY B 41 -7.282 -3.269 -8.779 1.00 0.00 C ATOM 1480 O GLY B 41 -7.345 -4.497 -8.754 1.00 0.00 O ATOM 0 H GLY B 41 -8.973 -3.338 -6.107 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -8.066 -1.435 -7.992 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -7.095 -2.347 -6.852 1.00 0.00 H new ATOM 1484 N GLU B 42 -6.721 -2.591 -9.780 1.00 0.00 N ATOM 1485 CA GLU B 42 -6.131 -3.272 -10.932 1.00 0.00 C ATOM 1486 C GLU B 42 -4.730 -3.769 -10.595 1.00 0.00 C ATOM 1487 O GLU B 42 -3.755 -3.027 -10.709 1.00 0.00 O ATOM 1488 CB GLU B 42 -6.074 -2.329 -12.137 1.00 0.00 C ATOM 1489 CG GLU B 42 -7.434 -1.815 -12.578 1.00 0.00 C ATOM 1490 CD GLU B 42 -8.373 -2.928 -13.001 1.00 0.00 C ATOM 1491 OE1 GLU B 42 -8.696 -3.787 -12.154 1.00 0.00 O ATOM 1492 OE2 GLU B 42 -8.786 -2.941 -14.179 1.00 0.00 O ATOM 0 H GLU B 42 -6.663 -1.573 -9.817 1.00 0.00 H new ATOM 0 HA GLU B 42 -6.757 -4.128 -11.183 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -5.437 -1.479 -11.892 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -5.604 -2.849 -12.972 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -7.888 -1.254 -11.761 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -7.303 -1.121 -13.408 1.00 0.00 H new ATOM 1499 N TRP B 43 -4.638 -5.022 -10.157 1.00 0.00 N ATOM 1500 CA TRP B 43 -3.353 -5.603 -9.781 1.00 0.00 C ATOM 1501 C TRP B 43 -2.856 -6.610 -10.815 1.00 0.00 C ATOM 1502 O TRP B 43 -3.603 -7.489 -11.248 1.00 0.00 O ATOM 1503 CB TRP B 43 -3.457 -6.329 -8.437 1.00 0.00 C ATOM 1504 CG TRP B 43 -4.072 -5.539 -7.318 1.00 0.00 C ATOM 1505 CD1 TRP B 43 -4.741 -4.348 -7.389 1.00 0.00 C ATOM 1506 CD2 TRP B 43 -4.075 -5.918 -5.942 1.00 0.00 C ATOM 1507 NE1 TRP B 43 -5.161 -3.973 -6.134 1.00 0.00 N ATOM 1508 CE2 TRP B 43 -4.763 -4.921 -5.233 1.00 0.00 C ATOM 1509 CE3 TRP B 43 -3.560 -7.010 -5.242 1.00 0.00 C ATOM 1510 CZ2 TRP B 43 -4.952 -4.985 -3.858 1.00 0.00 C ATOM 1511 CZ3 TRP B 43 -3.746 -7.072 -3.875 1.00 0.00 C ATOM 1512 CH2 TRP B 43 -4.437 -6.065 -3.195 1.00 0.00 C ATOM 0 H TRP B 43 -5.434 -5.652 -10.054 1.00 0.00 H new ATOM 0 HA TRP B 43 -2.650 -4.772 -9.716 1.00 0.00 H new ATOM 0 HB2 TRP B 43 -4.041 -7.238 -8.580 1.00 0.00 H new ATOM 0 HB3 TRP B 43 -2.457 -6.638 -8.133 1.00 0.00 H new ATOM 0 HD1 TRP B 43 -4.914 -3.786 -8.295 1.00 0.00 H new ATOM 0 HE1 TRP B 43 -5.684 -3.126 -5.912 1.00 0.00 H new ATOM 0 HE3 TRP B 43 -3.026 -7.793 -5.760 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -5.487 -4.209 -3.331 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -3.351 -7.912 -3.323 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -4.567 -6.141 -2.126 1.00 0.00 H new ATOM 1523 N THR B 44 -1.581 -6.501 -11.173 1.00 0.00 N ATOM 1524 CA THR B 44 -0.964 -7.425 -12.115 1.00 0.00 C ATOM 1525 C THR B 44 0.090 -8.259 -11.389 1.00 0.00 C ATOM 1526 O THR B 44 0.760 -7.763 -10.483 1.00 0.00 O ATOM 1527 CB THR B 44 -0.339 -6.667 -13.289 1.00 0.00 C ATOM 1528 OG1 THR B 44 0.576 -5.689 -12.827 1.00 0.00 O ATOM 1529 CG2 THR B 44 -1.360 -5.971 -14.161 1.00 0.00 C ATOM 0 H THR B 44 -0.953 -5.778 -10.822 1.00 0.00 H new ATOM 0 HA THR B 44 -1.730 -8.087 -12.518 1.00 0.00 H new ATOM 0 HB THR B 44 0.167 -7.425 -13.886 1.00 0.00 H new ATOM 0 HG1 THR B 44 1.211 -6.103 -12.206 1.00 0.00 H new ATOM 0 HG21 THR B 44 -0.851 -5.453 -14.974 1.00 0.00 H new ATOM 0 HG22 THR B 44 -2.048 -6.708 -14.575 1.00 0.00 H new ATOM 0 HG23 THR B 44 -1.917 -5.250 -13.564 1.00 0.00 H new ATOM 1537 N TYR B 45 0.220 -9.528 -11.763 1.00 0.00 N ATOM 1538 CA TYR B 45 1.180 -10.413 -11.109 1.00 0.00 C ATOM 1539 C TYR B 45 2.314 -10.820 -12.046 1.00 0.00 C ATOM 1540 O TYR B 45 2.104 -11.042 -13.239 1.00 0.00 O ATOM 1541 CB TYR B 45 0.462 -11.662 -10.589 1.00 0.00 C ATOM 1542 CG TYR B 45 1.341 -12.582 -9.772 1.00 0.00 C ATOM 1543 CD1 TYR B 45 2.304 -12.077 -8.909 1.00 0.00 C ATOM 1544 CD2 TYR B 45 1.201 -13.962 -9.862 1.00 0.00 C ATOM 1545 CE1 TYR B 45 3.103 -12.917 -8.159 1.00 0.00 C ATOM 1546 CE2 TYR B 45 1.997 -14.810 -9.115 1.00 0.00 C ATOM 1547 CZ TYR B 45 2.947 -14.282 -8.266 1.00 0.00 C ATOM 1548 OH TYR B 45 3.740 -15.123 -7.520 1.00 0.00 O ATOM 0 H TYR B 45 -0.322 -9.965 -12.509 1.00 0.00 H new ATOM 0 HA TYR B 45 1.621 -9.865 -10.277 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -0.388 -11.353 -9.980 1.00 0.00 H new ATOM 0 HB3 TYR B 45 0.061 -12.218 -11.437 1.00 0.00 H new ATOM 0 HD1 TYR B 45 2.430 -11.008 -8.823 1.00 0.00 H new ATOM 0 HD2 TYR B 45 0.458 -14.378 -10.526 1.00 0.00 H new ATOM 0 HE1 TYR B 45 3.846 -12.506 -7.492 1.00 0.00 H new ATOM 0 HE2 TYR B 45 1.876 -15.880 -9.196 1.00 0.00 H new ATOM 0 HH TYR B 45 3.501 -16.054 -7.712 1.00 0.00 H new ATOM 1558 N ASP B 46 3.520 -10.922 -11.489 1.00 0.00 N ATOM 1559 CA ASP B 46 4.697 -11.310 -12.258 1.00 0.00 C ATOM 1560 C ASP B 46 5.356 -12.544 -11.641 1.00 0.00 C ATOM 1561 O ASP B 46 6.279 -12.427 -10.835 1.00 0.00 O ATOM 1562 CB ASP B 46 5.699 -10.154 -12.317 1.00 0.00 C ATOM 1563 CG ASP B 46 6.939 -10.501 -13.120 1.00 0.00 C ATOM 1564 OD1 ASP B 46 6.801 -10.815 -14.320 1.00 0.00 O ATOM 1565 OD2 ASP B 46 8.048 -10.456 -12.547 1.00 0.00 O ATOM 0 H ASP B 46 3.706 -10.740 -10.503 1.00 0.00 H new ATOM 0 HA ASP B 46 4.380 -11.553 -13.272 1.00 0.00 H new ATOM 0 HB2 ASP B 46 5.217 -9.282 -12.758 1.00 0.00 H new ATOM 0 HB3 ASP B 46 5.991 -9.879 -11.304 1.00 0.00 H new ATOM 1570 N ASP B 47 4.866 -13.721 -12.018 1.00 0.00 N ATOM 1571 CA ASP B 47 5.392 -14.984 -11.498 1.00 0.00 C ATOM 1572 C ASP B 47 6.920 -15.018 -11.528 1.00 0.00 C ATOM 1573 O ASP B 47 7.556 -15.556 -10.622 1.00 0.00 O ATOM 1574 CB ASP B 47 4.838 -16.159 -12.306 1.00 0.00 C ATOM 1575 CG ASP B 47 3.322 -16.201 -12.307 1.00 0.00 C ATOM 1576 OD1 ASP B 47 2.701 -15.298 -11.708 1.00 0.00 O ATOM 1577 OD2 ASP B 47 2.755 -17.136 -12.910 1.00 0.00 O ATOM 0 H ASP B 47 4.102 -13.829 -12.685 1.00 0.00 H new ATOM 0 HA ASP B 47 5.072 -15.068 -10.459 1.00 0.00 H new ATOM 0 HB2 ASP B 47 5.197 -16.091 -13.333 1.00 0.00 H new ATOM 0 HB3 ASP B 47 5.224 -17.092 -11.895 1.00 0.00 H new ATOM 1582 N ALA B 48 7.500 -14.459 -12.585 1.00 0.00 N ATOM 1583 CA ALA B 48 8.952 -14.445 -12.746 1.00 0.00 C ATOM 1584 C ALA B 48 9.663 -13.940 -11.492 1.00 0.00 C ATOM 1585 O ALA B 48 10.778 -14.367 -11.190 1.00 0.00 O ATOM 1586 CB ALA B 48 9.337 -13.592 -13.946 1.00 0.00 C ATOM 0 H ALA B 48 6.988 -14.009 -13.344 1.00 0.00 H new ATOM 0 HA ALA B 48 9.273 -15.473 -12.912 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.421 -13.588 -14.057 1.00 0.00 H new ATOM 0 HB2 ALA B 48 8.882 -14.004 -14.846 1.00 0.00 H new ATOM 0 HB3 ALA B 48 8.984 -12.572 -13.795 1.00 0.00 H new ATOM 1592 N THR B 49 9.023 -13.031 -10.767 1.00 0.00 N ATOM 1593 CA THR B 49 9.614 -12.479 -9.550 1.00 0.00 C ATOM 1594 C THR B 49 8.658 -12.572 -8.361 1.00 0.00 C ATOM 1595 O THR B 49 8.891 -11.951 -7.324 1.00 0.00 O ATOM 1596 CB THR B 49 10.017 -11.020 -9.774 1.00 0.00 C ATOM 1597 OG1 THR B 49 8.892 -10.239 -10.135 1.00 0.00 O ATOM 1598 CG2 THR B 49 11.061 -10.849 -10.856 1.00 0.00 C ATOM 0 H THR B 49 8.101 -12.661 -10.997 1.00 0.00 H new ATOM 0 HA THR B 49 10.498 -13.073 -9.318 1.00 0.00 H new ATOM 0 HB THR B 49 10.440 -10.687 -8.826 1.00 0.00 H new ATOM 0 HG1 THR B 49 8.864 -10.136 -11.109 1.00 0.00 H new ATOM 0 HG21 THR B 49 11.302 -9.792 -10.965 1.00 0.00 H new ATOM 0 HG22 THR B 49 11.961 -11.401 -10.584 1.00 0.00 H new ATOM 0 HG23 THR B 49 10.673 -11.231 -11.800 1.00 0.00 H new ATOM 1606 N LYS B 50 7.580 -13.339 -8.513 1.00 0.00 N ATOM 1607 CA LYS B 50 6.597 -13.489 -7.442 1.00 0.00 C ATOM 1608 C LYS B 50 6.211 -12.127 -6.872 1.00 0.00 C ATOM 1609 O LYS B 50 5.982 -11.986 -5.669 1.00 0.00 O ATOM 1610 CB LYS B 50 7.148 -14.377 -6.327 1.00 0.00 C ATOM 1611 CG LYS B 50 7.436 -15.799 -6.773 1.00 0.00 C ATOM 1612 CD LYS B 50 6.941 -16.805 -5.750 1.00 0.00 C ATOM 1613 CE LYS B 50 7.201 -18.233 -6.199 1.00 0.00 C ATOM 1614 NZ LYS B 50 6.699 -19.228 -5.212 1.00 0.00 N ATOM 0 H LYS B 50 7.366 -13.863 -9.361 1.00 0.00 H new ATOM 0 HA LYS B 50 5.709 -13.960 -7.863 1.00 0.00 H new ATOM 0 HB2 LYS B 50 8.065 -13.933 -5.939 1.00 0.00 H new ATOM 0 HB3 LYS B 50 6.433 -14.400 -5.505 1.00 0.00 H new ATOM 0 HG2 LYS B 50 6.956 -15.986 -7.733 1.00 0.00 H new ATOM 0 HG3 LYS B 50 8.508 -15.926 -6.923 1.00 0.00 H new ATOM 0 HD2 LYS B 50 7.436 -16.627 -4.795 1.00 0.00 H new ATOM 0 HD3 LYS B 50 5.873 -16.663 -5.587 1.00 0.00 H new ATOM 0 HE2 LYS B 50 6.720 -18.403 -7.162 1.00 0.00 H new ATOM 0 HE3 LYS B 50 8.271 -18.377 -6.347 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 7.449 -19.917 -5.002 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 6.423 -18.739 -4.336 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 5.874 -19.723 -5.607 1.00 0.00 H new ATOM 1628 N THR B 51 6.157 -11.124 -7.742 1.00 0.00 N ATOM 1629 CA THR B 51 5.815 -9.770 -7.327 1.00 0.00 C ATOM 1630 C THR B 51 4.518 -9.295 -7.979 1.00 0.00 C ATOM 1631 O THR B 51 4.258 -9.573 -9.150 1.00 0.00 O ATOM 1632 CB THR B 51 6.955 -8.810 -7.682 1.00 0.00 C ATOM 1633 OG1 THR B 51 8.163 -9.218 -7.064 1.00 0.00 O ATOM 1634 CG2 THR B 51 6.690 -7.379 -7.268 1.00 0.00 C ATOM 0 H THR B 51 6.346 -11.224 -8.739 1.00 0.00 H new ATOM 0 HA THR B 51 5.667 -9.779 -6.247 1.00 0.00 H new ATOM 0 HB THR B 51 7.032 -8.846 -8.769 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.353 -10.150 -7.301 1.00 0.00 H new ATOM 0 HG21 THR B 51 7.538 -6.756 -7.550 1.00 0.00 H new ATOM 0 HG22 THR B 51 5.791 -7.016 -7.767 1.00 0.00 H new ATOM 0 HG23 THR B 51 6.549 -7.333 -6.188 1.00 0.00 H new ATOM 1642 N PHE B 52 3.717 -8.566 -7.210 1.00 0.00 N ATOM 1643 CA PHE B 52 2.451 -8.032 -7.701 1.00 0.00 C ATOM 1644 C PHE B 52 2.526 -6.512 -7.788 1.00 0.00 C ATOM 1645 O PHE B 52 3.158 -5.874 -6.953 1.00 0.00 O ATOM 1646 CB PHE B 52 1.306 -8.430 -6.767 1.00 0.00 C ATOM 1647 CG PHE B 52 1.233 -9.902 -6.471 1.00 0.00 C ATOM 1648 CD1 PHE B 52 2.258 -10.536 -5.785 1.00 0.00 C ATOM 1649 CD2 PHE B 52 0.136 -10.650 -6.870 1.00 0.00 C ATOM 1650 CE1 PHE B 52 2.189 -11.887 -5.504 1.00 0.00 C ATOM 1651 CE2 PHE B 52 0.062 -12.002 -6.590 1.00 0.00 C ATOM 1652 CZ PHE B 52 1.091 -12.621 -5.906 1.00 0.00 C ATOM 0 H PHE B 52 3.923 -8.330 -6.239 1.00 0.00 H new ATOM 0 HA PHE B 52 2.263 -8.445 -8.692 1.00 0.00 H new ATOM 0 HB2 PHE B 52 1.413 -7.887 -5.828 1.00 0.00 H new ATOM 0 HB3 PHE B 52 0.363 -8.113 -7.212 1.00 0.00 H new ATOM 0 HD1 PHE B 52 3.119 -9.968 -5.467 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -0.670 -10.171 -7.406 1.00 0.00 H new ATOM 0 HE1 PHE B 52 2.994 -12.369 -4.970 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -0.799 -12.573 -6.905 1.00 0.00 H new ATOM 0 HZ PHE B 52 1.036 -13.677 -5.686 1.00 0.00 H new ATOM 1662 N THR B 53 1.880 -5.931 -8.791 1.00 0.00 N ATOM 1663 CA THR B 53 1.884 -4.481 -8.950 1.00 0.00 C ATOM 1664 C THR B 53 0.467 -3.913 -8.951 1.00 0.00 C ATOM 1665 O THR B 53 -0.399 -4.369 -9.698 1.00 0.00 O ATOM 1666 CB THR B 53 2.616 -4.076 -10.231 1.00 0.00 C ATOM 1667 OG1 THR B 53 2.313 -4.961 -11.296 1.00 0.00 O ATOM 1668 CG2 THR B 53 4.121 -4.030 -10.071 1.00 0.00 C ATOM 0 H THR B 53 1.350 -6.436 -9.502 1.00 0.00 H new ATOM 0 HA THR B 53 2.415 -4.062 -8.095 1.00 0.00 H new ATOM 0 HB THR B 53 2.262 -3.070 -10.456 1.00 0.00 H new ATOM 0 HG1 THR B 53 1.585 -4.587 -11.835 1.00 0.00 H new ATOM 0 HG21 THR B 53 4.579 -3.736 -11.016 1.00 0.00 H new ATOM 0 HG22 THR B 53 4.383 -3.305 -9.300 1.00 0.00 H new ATOM 0 HG23 THR B 53 4.486 -5.015 -9.782 1.00 0.00 H new ATOM 1676 N VAL B 54 0.251 -2.903 -8.114 1.00 0.00 N ATOM 1677 CA VAL B 54 -1.049 -2.251 -8.013 1.00 0.00 C ATOM 1678 C VAL B 54 -0.986 -0.857 -8.634 1.00 0.00 C ATOM 1679 O VAL B 54 -0.305 0.030 -8.120 1.00 0.00 O ATOM 1680 CB VAL B 54 -1.520 -2.149 -6.544 1.00 0.00 C ATOM 1681 CG1 VAL B 54 -2.882 -1.470 -6.456 1.00 0.00 C ATOM 1682 CG2 VAL B 54 -1.566 -3.531 -5.908 1.00 0.00 C ATOM 0 H VAL B 54 0.963 -2.517 -7.494 1.00 0.00 H new ATOM 0 HA VAL B 54 -1.770 -2.861 -8.557 1.00 0.00 H new ATOM 0 HB VAL B 54 -0.804 -1.538 -5.995 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -3.192 -1.410 -5.413 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -2.815 -0.465 -6.873 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -3.614 -2.049 -7.019 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -1.899 -3.445 -4.874 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -2.260 -4.163 -6.461 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.571 -3.976 -5.933 1.00 0.00 H new ATOM 1692 N THR B 55 -1.687 -0.676 -9.750 1.00 0.00 N ATOM 1693 CA THR B 55 -1.689 0.609 -10.444 1.00 0.00 C ATOM 1694 C THR B 55 -2.980 1.380 -10.198 1.00 0.00 C ATOM 1695 O THR B 55 -4.067 0.920 -10.548 1.00 0.00 O ATOM 1696 CB THR B 55 -1.486 0.402 -11.945 1.00 0.00 C ATOM 1697 OG1 THR B 55 -0.308 -0.347 -12.193 1.00 0.00 O ATOM 1698 CG2 THR B 55 -1.368 1.701 -12.710 1.00 0.00 C ATOM 0 H THR B 55 -2.257 -1.397 -10.191 1.00 0.00 H new ATOM 0 HA THR B 55 -0.864 1.198 -10.044 1.00 0.00 H new ATOM 0 HB THR B 55 -2.373 -0.131 -12.289 1.00 0.00 H new ATOM 0 HG1 THR B 55 -0.196 -0.471 -13.159 1.00 0.00 H new ATOM 0 HG21 THR B 55 -1.225 1.488 -13.769 1.00 0.00 H new ATOM 0 HG22 THR B 55 -2.278 2.286 -12.577 1.00 0.00 H new ATOM 0 HG23 THR B 55 -0.515 2.267 -12.336 1.00 0.00 H new ATOM 1706 N GLU B 56 -2.854 2.558 -9.589 1.00 0.00 N ATOM 1707 CA GLU B 56 -4.010 3.397 -9.292 1.00 0.00 C ATOM 1708 C GLU B 56 -4.821 3.658 -10.558 1.00 0.00 C ATOM 1709 O GLU B 56 -5.827 2.948 -10.772 1.00 0.00 O ATOM 1710 CB GLU B 56 -3.550 4.723 -8.675 1.00 0.00 C ATOM 1711 CG GLU B 56 -4.650 5.516 -7.979 1.00 0.00 C ATOM 1712 CD GLU B 56 -5.753 5.977 -8.915 1.00 0.00 C ATOM 1713 OE1 GLU B 56 -6.559 5.131 -9.352 1.00 0.00 O ATOM 1714 OE2 GLU B 56 -5.809 7.188 -9.211 1.00 0.00 O ATOM 1715 OXT GLU B 56 -4.445 4.569 -11.324 1.00 0.00 O ATOM 0 H GLU B 56 -1.961 2.952 -9.292 1.00 0.00 H new ATOM 0 HA GLU B 56 -4.646 2.875 -8.577 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -2.758 4.518 -7.955 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -3.115 5.342 -9.460 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -5.087 4.902 -7.192 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -4.208 6.387 -7.495 1.00 0.00 H new TER 1722 GLU B 56