USER MOD reduce.3.24.130724 H: found=0, std=0, add=1306, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1306 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 MET CE :methyl -110:sc= -0.726 (180deg=-2.82!) USER MOD Set 1.2: B 81 THR OG1 : rot 73:sc= 0.885 USER MOD Set 2.1: A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: B 74 MET CE :methyl -121:sc= 0 (180deg=0) USER MOD Set 3.1: B 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: B 68 CYS SG : rot -175:sc= -1.11 USER MOD Set 4.1: A 81 THR OG1 : rot 74:sc= 0.878 USER MOD Set 4.2: B 7 MET CE :methyl 135:sc= -0.52 (180deg=-2.83!) USER MOD Set 5.1: A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 68 CYS SG : rot -170:sc= -1.14 USER MOD Single : A 1 SER N :NH3+ -98:sc= 0.0815 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= -0.143 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 102:sc= 1.15 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -0.0388 X(o=-0.039,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.134) USER MOD Single : A 28 LYS NZ :NH3+ -164:sc=-0.00163 (180deg=-0.101) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= -0.0155 USER MOD Single : A 33 LYS NZ :NH3+ 130:sc= -0.482 (180deg=-0.979) USER MOD Single : A 37 ASN : amide:sc= -1.74! K(o=-1.7!,f=-0.03) USER MOD Single : A 38 ASN : amide:sc= -0.247 K(o=-0.25,f=-1.9!) USER MOD Single : A 41 SER OG : rot 180:sc= -0.0236 USER MOD Single : A 42 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-0.68) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -168:sc=-2.8e-05 (180deg=-0.109) USER MOD Single : A 59 THR OG1 : rot 78:sc= 0.0254 USER MOD Single : A 71 GLN : amide:sc= -3.45! C(o=-3.4!,f=-2.5!) USER MOD Single : A 78 SER OG : rot -47:sc= -0.122 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -24:sc= -0.244 USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : B 1 SER N :NH3+ -111:sc= 0.105 (180deg=0) USER MOD Single : B 1 SER OG : rot 180:sc= -0.152 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 GLN : amide:sc=-0.00941 K(o=-0.0094,f=-1.8!) USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 SER OG : rot 103:sc= 1.09 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 HIS : no HD1:sc= -0.0427 X(o=-0.043,f=0) USER MOD Single : B 26 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.213) USER MOD Single : B 28 LYS NZ :NH3+ -165:sc=-0.00335 (180deg=-0.109) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 SER OG : rot 180:sc= -0.0139 USER MOD Single : B 33 LYS NZ :NH3+ -113:sc= -0.427 (180deg=-0.917) USER MOD Single : B 37 ASN : amide:sc= -1.72! K(o=-1.7!,f=-0.037) USER MOD Single : B 38 ASN : amide:sc= -0.224 K(o=-0.22,f=-1.8!) USER MOD Single : B 41 SER OG : rot 180:sc= -0.0176 USER MOD Single : B 42 HIS : no HD1:sc= -1.25 K(o=-1.3,f=-0.65) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 55 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.146) USER MOD Single : B 59 THR OG1 : rot 79:sc= 0.0233 USER MOD Single : B 71 GLN : amide:sc= -5.03! C(o=-5!,f=-3.3!) USER MOD Single : B 78 SER OG : rot -49:sc= -0.158 USER MOD Single : B 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 82 THR OG1 : rot -22:sc= -0.257 USER MOD Single : B 84 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 67.191 13.051 -10.030 1.00 0.00 N ATOM 2 CA SER A 1 67.977 12.046 -10.801 1.00 0.00 C ATOM 3 C SER A 1 67.391 10.651 -10.576 1.00 0.00 C ATOM 4 O SER A 1 66.661 10.417 -9.632 1.00 0.00 O ATOM 5 CB SER A 1 69.430 12.062 -10.326 1.00 0.00 C ATOM 6 OG SER A 1 70.121 10.957 -10.894 1.00 0.00 O ATOM 0 H1 SER A 1 66.501 13.509 -10.659 1.00 0.00 H new ATOM 0 H2 SER A 1 66.690 12.577 -9.252 1.00 0.00 H new ATOM 0 H3 SER A 1 67.834 13.770 -9.640 1.00 0.00 H new ATOM 0 HA SER A 1 67.933 12.293 -11.862 1.00 0.00 H new ATOM 0 HB2 SER A 1 69.910 12.996 -10.619 1.00 0.00 H new ATOM 0 HB3 SER A 1 69.470 12.010 -9.238 1.00 0.00 H new ATOM 0 HG SER A 1 71.054 10.965 -10.593 1.00 0.00 H new ATOM 14 N GLU A 2 67.696 9.726 -11.441 1.00 0.00 N ATOM 15 CA GLU A 2 67.160 8.345 -11.294 1.00 0.00 C ATOM 16 C GLU A 2 67.684 7.717 -9.998 1.00 0.00 C ATOM 17 O GLU A 2 67.009 6.932 -9.362 1.00 0.00 O ATOM 18 CB GLU A 2 67.609 7.509 -12.493 1.00 0.00 C ATOM 19 CG GLU A 2 66.884 7.999 -13.750 1.00 0.00 C ATOM 20 CD GLU A 2 65.402 7.630 -13.669 1.00 0.00 C ATOM 21 OE1 GLU A 2 65.097 6.606 -13.079 1.00 0.00 O ATOM 22 OE2 GLU A 2 64.596 8.378 -14.197 1.00 0.00 O ATOM 0 H GLU A 2 68.299 9.869 -12.251 1.00 0.00 H new ATOM 0 HA GLU A 2 66.071 8.377 -11.253 1.00 0.00 H new ATOM 0 HB2 GLU A 2 68.688 7.592 -12.626 1.00 0.00 H new ATOM 0 HB3 GLU A 2 67.389 6.456 -12.320 1.00 0.00 H new ATOM 0 HG2 GLU A 2 66.995 9.079 -13.847 1.00 0.00 H new ATOM 0 HG3 GLU A 2 67.332 7.551 -14.637 1.00 0.00 H new ATOM 29 N LEU A 3 68.881 8.060 -9.596 1.00 0.00 N ATOM 30 CA LEU A 3 69.454 7.495 -8.339 1.00 0.00 C ATOM 31 C LEU A 3 68.717 8.057 -7.121 1.00 0.00 C ATOM 32 O LEU A 3 68.517 7.373 -6.137 1.00 0.00 O ATOM 33 CB LEU A 3 70.936 7.886 -8.255 1.00 0.00 C ATOM 34 CG LEU A 3 71.562 7.374 -6.946 1.00 0.00 C ATOM 35 CD1 LEU A 3 71.458 5.842 -6.872 1.00 0.00 C ATOM 36 CD2 LEU A 3 73.037 7.794 -6.900 1.00 0.00 C ATOM 0 H LEU A 3 69.490 8.713 -10.089 1.00 0.00 H new ATOM 0 HA LEU A 3 69.346 6.410 -8.348 1.00 0.00 H new ATOM 0 HB2 LEU A 3 71.475 7.472 -9.107 1.00 0.00 H new ATOM 0 HB3 LEU A 3 71.035 8.970 -8.311 1.00 0.00 H new ATOM 0 HG LEU A 3 71.028 7.802 -6.098 1.00 0.00 H new ATOM 0 HD11 LEU A 3 71.904 5.492 -5.941 1.00 0.00 H new ATOM 0 HD12 LEU A 3 70.409 5.546 -6.905 1.00 0.00 H new ATOM 0 HD13 LEU A 3 71.986 5.400 -7.717 1.00 0.00 H new ATOM 0 HD21 LEU A 3 73.489 7.435 -5.975 1.00 0.00 H new ATOM 0 HD22 LEU A 3 73.564 7.365 -7.752 1.00 0.00 H new ATOM 0 HD23 LEU A 3 73.107 8.881 -6.940 1.00 0.00 H new ATOM 48 N GLU A 4 68.323 9.299 -7.171 1.00 0.00 N ATOM 49 CA GLU A 4 67.612 9.900 -6.008 1.00 0.00 C ATOM 50 C GLU A 4 66.292 9.161 -5.777 1.00 0.00 C ATOM 51 O GLU A 4 65.911 8.891 -4.655 1.00 0.00 O ATOM 52 CB GLU A 4 67.347 11.379 -6.296 1.00 0.00 C ATOM 53 CG GLU A 4 66.655 12.028 -5.097 1.00 0.00 C ATOM 54 CD GLU A 4 66.459 13.521 -5.374 1.00 0.00 C ATOM 55 OE1 GLU A 4 67.022 14.001 -6.344 1.00 0.00 O ATOM 56 OE2 GLU A 4 65.758 14.160 -4.608 1.00 0.00 O ATOM 0 H GLU A 4 68.462 9.923 -7.966 1.00 0.00 H new ATOM 0 HA GLU A 4 68.225 9.812 -5.111 1.00 0.00 H new ATOM 0 HB2 GLU A 4 68.286 11.891 -6.506 1.00 0.00 H new ATOM 0 HB3 GLU A 4 66.724 11.479 -7.185 1.00 0.00 H new ATOM 0 HG2 GLU A 4 65.692 11.550 -4.916 1.00 0.00 H new ATOM 0 HG3 GLU A 4 67.254 11.889 -4.197 1.00 0.00 H new ATOM 63 N LYS A 5 65.600 8.820 -6.826 1.00 0.00 N ATOM 64 CA LYS A 5 64.314 8.085 -6.663 1.00 0.00 C ATOM 65 C LYS A 5 64.575 6.717 -6.033 1.00 0.00 C ATOM 66 O LYS A 5 63.815 6.248 -5.210 1.00 0.00 O ATOM 67 CB LYS A 5 63.617 7.927 -8.020 1.00 0.00 C ATOM 68 CG LYS A 5 63.113 9.298 -8.485 1.00 0.00 C ATOM 69 CD LYS A 5 62.412 9.171 -9.840 1.00 0.00 C ATOM 70 CE LYS A 5 61.917 10.552 -10.280 1.00 0.00 C ATOM 71 NZ LYS A 5 61.092 10.421 -11.514 1.00 0.00 N ATOM 0 H LYS A 5 65.868 9.018 -7.790 1.00 0.00 H new ATOM 0 HA LYS A 5 63.659 8.656 -6.005 1.00 0.00 H new ATOM 0 HB2 LYS A 5 64.309 7.512 -8.753 1.00 0.00 H new ATOM 0 HB3 LYS A 5 62.785 7.228 -7.937 1.00 0.00 H new ATOM 0 HG2 LYS A 5 62.424 9.710 -7.748 1.00 0.00 H new ATOM 0 HG3 LYS A 5 63.949 9.994 -8.563 1.00 0.00 H new ATOM 0 HD2 LYS A 5 63.099 8.764 -10.582 1.00 0.00 H new ATOM 0 HD3 LYS A 5 61.574 8.477 -9.766 1.00 0.00 H new ATOM 0 HE2 LYS A 5 61.328 11.008 -9.484 1.00 0.00 H new ATOM 0 HE3 LYS A 5 62.765 11.210 -10.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 60.758 11.360 -11.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 61.667 10.003 -12.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 60.275 9.808 -11.322 1.00 0.00 H new ATOM 85 N ALA A 6 65.643 6.072 -6.409 1.00 0.00 N ATOM 86 CA ALA A 6 65.948 4.736 -5.821 1.00 0.00 C ATOM 87 C ALA A 6 66.105 4.873 -4.304 1.00 0.00 C ATOM 88 O ALA A 6 65.568 4.093 -3.541 1.00 0.00 O ATOM 89 CB ALA A 6 67.251 4.200 -6.419 1.00 0.00 C ATOM 0 H ALA A 6 66.317 6.410 -7.096 1.00 0.00 H new ATOM 0 HA ALA A 6 65.134 4.046 -6.044 1.00 0.00 H new ATOM 0 HB1 ALA A 6 67.474 3.223 -5.989 1.00 0.00 H new ATOM 0 HB2 ALA A 6 67.143 4.105 -7.499 1.00 0.00 H new ATOM 0 HB3 ALA A 6 68.065 4.889 -6.195 1.00 0.00 H new ATOM 95 N MET A 7 66.839 5.859 -3.860 1.00 0.00 N ATOM 96 CA MET A 7 67.033 6.052 -2.393 1.00 0.00 C ATOM 97 C MET A 7 65.704 6.429 -1.741 1.00 0.00 C ATOM 98 O MET A 7 65.312 5.884 -0.727 1.00 0.00 O ATOM 99 CB MET A 7 68.026 7.188 -2.175 1.00 0.00 C ATOM 100 CG MET A 7 69.411 6.754 -2.653 1.00 0.00 C ATOM 101 SD MET A 7 70.591 8.104 -2.394 1.00 0.00 S ATOM 102 CE MET A 7 70.478 8.170 -0.589 1.00 0.00 C ATOM 0 H MET A 7 67.314 6.541 -4.452 1.00 0.00 H new ATOM 0 HA MET A 7 67.406 5.128 -1.951 1.00 0.00 H new ATOM 0 HB2 MET A 7 67.704 8.076 -2.719 1.00 0.00 H new ATOM 0 HB3 MET A 7 68.062 7.456 -1.119 1.00 0.00 H new ATOM 0 HG2 MET A 7 69.733 5.866 -2.109 1.00 0.00 H new ATOM 0 HG3 MET A 7 69.375 6.486 -3.709 1.00 0.00 H new ATOM 0 HE1 MET A 7 69.970 9.087 -0.290 1.00 0.00 H new ATOM 0 HE2 MET A 7 69.915 7.309 -0.228 1.00 0.00 H new ATOM 0 HE3 MET A 7 71.480 8.154 -0.161 1.00 0.00 H new ATOM 112 N VAL A 8 65.023 7.382 -2.312 1.00 0.00 N ATOM 113 CA VAL A 8 63.729 7.840 -1.741 1.00 0.00 C ATOM 114 C VAL A 8 62.750 6.667 -1.702 1.00 0.00 C ATOM 115 O VAL A 8 61.972 6.529 -0.780 1.00 0.00 O ATOM 116 CB VAL A 8 63.166 8.970 -2.610 1.00 0.00 C ATOM 117 CG1 VAL A 8 61.747 9.317 -2.154 1.00 0.00 C ATOM 118 CG2 VAL A 8 64.061 10.211 -2.480 1.00 0.00 C ATOM 0 H VAL A 8 65.313 7.868 -3.161 1.00 0.00 H new ATOM 0 HA VAL A 8 63.880 8.211 -0.727 1.00 0.00 H new ATOM 0 HB VAL A 8 63.141 8.644 -3.650 1.00 0.00 H new ATOM 0 HG11 VAL A 8 61.352 10.121 -2.775 1.00 0.00 H new ATOM 0 HG12 VAL A 8 61.109 8.438 -2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 8 61.768 9.640 -1.113 1.00 0.00 H new ATOM 0 HG21 VAL A 8 63.661 11.015 -3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 8 64.088 10.533 -1.439 1.00 0.00 H new ATOM 0 HG23 VAL A 8 65.071 9.968 -2.811 1.00 0.00 H new ATOM 128 N ALA A 9 62.773 5.820 -2.693 1.00 0.00 N ATOM 129 CA ALA A 9 61.832 4.667 -2.692 1.00 0.00 C ATOM 130 C ALA A 9 62.086 3.808 -1.450 1.00 0.00 C ATOM 131 O ALA A 9 61.165 3.328 -0.819 1.00 0.00 O ATOM 132 CB ALA A 9 62.063 3.828 -3.955 1.00 0.00 C ATOM 0 H ALA A 9 63.398 5.876 -3.497 1.00 0.00 H new ATOM 0 HA ALA A 9 60.804 5.028 -2.678 1.00 0.00 H new ATOM 0 HB1 ALA A 9 61.376 2.981 -3.960 1.00 0.00 H new ATOM 0 HB2 ALA A 9 61.887 4.443 -4.838 1.00 0.00 H new ATOM 0 HB3 ALA A 9 63.090 3.462 -3.966 1.00 0.00 H new ATOM 138 N LEU A 10 63.326 3.600 -1.099 1.00 0.00 N ATOM 139 CA LEU A 10 63.640 2.759 0.099 1.00 0.00 C ATOM 140 C LEU A 10 63.024 3.359 1.373 1.00 0.00 C ATOM 141 O LEU A 10 62.435 2.655 2.170 1.00 0.00 O ATOM 142 CB LEU A 10 65.159 2.680 0.284 1.00 0.00 C ATOM 143 CG LEU A 10 65.791 1.836 -0.831 1.00 0.00 C ATOM 144 CD1 LEU A 10 67.317 1.954 -0.739 1.00 0.00 C ATOM 145 CD2 LEU A 10 65.371 0.355 -0.693 1.00 0.00 C ATOM 0 H LEU A 10 64.138 3.975 -1.589 1.00 0.00 H new ATOM 0 HA LEU A 10 63.220 1.767 -0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 10 65.585 3.683 0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 10 65.391 2.243 1.255 1.00 0.00 H new ATOM 0 HG LEU A 10 65.447 2.202 -1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 10 67.776 1.358 -1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 10 67.609 2.998 -0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 10 67.652 1.591 0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 10 65.828 -0.229 -1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 10 65.702 -0.029 0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 10 64.286 0.277 -0.762 1.00 0.00 H new ATOM 157 N ILE A 11 63.169 4.641 1.588 1.00 0.00 N ATOM 158 CA ILE A 11 62.603 5.255 2.830 1.00 0.00 C ATOM 159 C ILE A 11 61.092 5.040 2.857 1.00 0.00 C ATOM 160 O ILE A 11 60.531 4.599 3.841 1.00 0.00 O ATOM 161 CB ILE A 11 62.906 6.753 2.843 1.00 0.00 C ATOM 162 CG1 ILE A 11 64.422 6.962 2.860 1.00 0.00 C ATOM 163 CG2 ILE A 11 62.291 7.385 4.093 1.00 0.00 C ATOM 164 CD1 ILE A 11 64.738 8.425 2.549 1.00 0.00 C ATOM 0 H ILE A 11 63.651 5.287 0.963 1.00 0.00 H new ATOM 0 HA ILE A 11 63.053 4.788 3.706 1.00 0.00 H new ATOM 0 HB ILE A 11 62.483 7.220 1.954 1.00 0.00 H new ATOM 0 HG12 ILE A 11 64.826 6.691 3.835 1.00 0.00 H new ATOM 0 HG13 ILE A 11 64.898 6.312 2.126 1.00 0.00 H new ATOM 0 HG21 ILE A 11 62.506 8.453 4.104 1.00 0.00 H new ATOM 0 HG22 ILE A 11 61.212 7.232 4.085 1.00 0.00 H new ATOM 0 HG23 ILE A 11 62.716 6.920 4.983 1.00 0.00 H new ATOM 0 HD11 ILE A 11 65.818 8.575 2.561 1.00 0.00 H new ATOM 0 HD12 ILE A 11 64.347 8.680 1.564 1.00 0.00 H new ATOM 0 HD13 ILE A 11 64.275 9.065 3.300 1.00 0.00 H new ATOM 176 N ASP A 12 60.430 5.358 1.786 1.00 0.00 N ATOM 177 CA ASP A 12 58.955 5.183 1.750 1.00 0.00 C ATOM 178 C ASP A 12 58.647 3.707 1.984 1.00 0.00 C ATOM 179 O ASP A 12 57.717 3.357 2.686 1.00 0.00 O ATOM 180 CB ASP A 12 58.418 5.619 0.385 1.00 0.00 C ATOM 181 CG ASP A 12 58.536 7.139 0.252 1.00 0.00 C ATOM 182 OD1 ASP A 12 58.639 7.796 1.274 1.00 0.00 O ATOM 183 OD2 ASP A 12 58.515 7.620 -0.869 1.00 0.00 O ATOM 0 H ASP A 12 60.845 5.732 0.933 1.00 0.00 H new ATOM 0 HA ASP A 12 58.481 5.792 2.520 1.00 0.00 H new ATOM 0 HB2 ASP A 12 58.978 5.129 -0.411 1.00 0.00 H new ATOM 0 HB3 ASP A 12 57.377 5.314 0.277 1.00 0.00 H new ATOM 188 N VAL A 13 59.426 2.838 1.409 1.00 0.00 N ATOM 189 CA VAL A 13 59.190 1.383 1.607 1.00 0.00 C ATOM 190 C VAL A 13 59.537 0.990 3.055 1.00 0.00 C ATOM 191 O VAL A 13 58.857 0.196 3.668 1.00 0.00 O ATOM 192 CB VAL A 13 60.073 0.592 0.632 1.00 0.00 C ATOM 193 CG1 VAL A 13 60.033 -0.899 0.984 1.00 0.00 C ATOM 194 CG2 VAL A 13 59.561 0.793 -0.798 1.00 0.00 C ATOM 0 H VAL A 13 60.217 3.072 0.809 1.00 0.00 H new ATOM 0 HA VAL A 13 58.141 1.156 1.419 1.00 0.00 H new ATOM 0 HB VAL A 13 61.100 0.950 0.707 1.00 0.00 H new ATOM 0 HG11 VAL A 13 60.662 -1.454 0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 13 60.401 -1.043 2.000 1.00 0.00 H new ATOM 0 HG13 VAL A 13 59.007 -1.262 0.915 1.00 0.00 H new ATOM 0 HG21 VAL A 13 60.188 0.232 -1.491 1.00 0.00 H new ATOM 0 HG22 VAL A 13 58.533 0.438 -0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 13 59.598 1.852 -1.052 1.00 0.00 H new ATOM 204 N PHE A 14 60.597 1.521 3.604 1.00 0.00 N ATOM 205 CA PHE A 14 60.978 1.144 5.001 1.00 0.00 C ATOM 206 C PHE A 14 59.897 1.569 5.999 1.00 0.00 C ATOM 207 O PHE A 14 59.414 0.773 6.782 1.00 0.00 O ATOM 208 CB PHE A 14 62.287 1.842 5.374 1.00 0.00 C ATOM 209 CG PHE A 14 62.682 1.466 6.786 1.00 0.00 C ATOM 210 CD1 PHE A 14 62.214 2.220 7.872 1.00 0.00 C ATOM 211 CD2 PHE A 14 63.515 0.362 7.011 1.00 0.00 C ATOM 212 CE1 PHE A 14 62.581 1.869 9.178 1.00 0.00 C ATOM 213 CE2 PHE A 14 63.882 0.014 8.318 1.00 0.00 C ATOM 214 CZ PHE A 14 63.414 0.768 9.401 1.00 0.00 C ATOM 0 H PHE A 14 61.214 2.195 3.151 1.00 0.00 H new ATOM 0 HA PHE A 14 61.093 0.061 5.043 1.00 0.00 H new ATOM 0 HB2 PHE A 14 63.075 1.555 4.677 1.00 0.00 H new ATOM 0 HB3 PHE A 14 62.169 2.923 5.295 1.00 0.00 H new ATOM 0 HD1 PHE A 14 61.571 3.071 7.702 1.00 0.00 H new ATOM 0 HD2 PHE A 14 63.875 -0.221 6.176 1.00 0.00 H new ATOM 0 HE1 PHE A 14 62.220 2.450 10.014 1.00 0.00 H new ATOM 0 HE2 PHE A 14 64.526 -0.836 8.490 1.00 0.00 H new ATOM 0 HZ PHE A 14 63.696 0.499 10.408 1.00 0.00 H new ATOM 224 N HIS A 15 59.562 2.830 6.026 1.00 0.00 N ATOM 225 CA HIS A 15 58.572 3.325 7.025 1.00 0.00 C ATOM 226 C HIS A 15 57.221 2.628 6.870 1.00 0.00 C ATOM 227 O HIS A 15 56.583 2.307 7.853 1.00 0.00 O ATOM 228 CB HIS A 15 58.387 4.834 6.838 1.00 0.00 C ATOM 229 CG HIS A 15 57.390 5.354 7.839 1.00 0.00 C ATOM 230 ND1 HIS A 15 57.680 5.449 9.193 1.00 0.00 N ATOM 231 CD2 HIS A 15 56.104 5.816 7.697 1.00 0.00 C ATOM 232 CE1 HIS A 15 56.593 5.952 9.807 1.00 0.00 C ATOM 233 NE2 HIS A 15 55.607 6.191 8.940 1.00 0.00 N ATOM 0 H HIS A 15 59.933 3.542 5.397 1.00 0.00 H new ATOM 0 HA HIS A 15 58.953 3.105 8.022 1.00 0.00 H new ATOM 0 HB2 HIS A 15 59.342 5.345 6.963 1.00 0.00 H new ATOM 0 HB3 HIS A 15 58.043 5.045 5.825 1.00 0.00 H new ATOM 0 HD2 HIS A 15 55.563 5.878 6.764 1.00 0.00 H new ATOM 0 HE1 HIS A 15 56.527 6.139 10.869 1.00 0.00 H new ATOM 0 HE2 HIS A 15 54.683 6.569 9.146 1.00 0.00 H new ATOM 242 N GLN A 16 56.755 2.384 5.678 1.00 0.00 N ATOM 243 CA GLN A 16 55.433 1.712 5.549 1.00 0.00 C ATOM 244 C GLN A 16 55.534 0.273 6.060 1.00 0.00 C ATOM 245 O GLN A 16 54.643 -0.230 6.716 1.00 0.00 O ATOM 246 CB GLN A 16 55.000 1.705 4.079 1.00 0.00 C ATOM 247 CG GLN A 16 53.619 1.059 3.956 1.00 0.00 C ATOM 248 CD GLN A 16 53.117 1.188 2.516 1.00 0.00 C ATOM 249 OE1 GLN A 16 53.702 1.892 1.716 1.00 0.00 O ATOM 250 NE2 GLN A 16 52.047 0.537 2.154 1.00 0.00 N ATOM 0 H GLN A 16 57.222 2.616 4.801 1.00 0.00 H new ATOM 0 HA GLN A 16 54.695 2.254 6.141 1.00 0.00 H new ATOM 0 HB2 GLN A 16 54.972 2.724 3.692 1.00 0.00 H new ATOM 0 HB3 GLN A 16 55.725 1.156 3.478 1.00 0.00 H new ATOM 0 HG2 GLN A 16 53.672 0.008 4.240 1.00 0.00 H new ATOM 0 HG3 GLN A 16 52.920 1.540 4.640 1.00 0.00 H new ATOM 0 HE21 GLN A 16 51.557 -0.053 2.826 1.00 0.00 H new ATOM 0 HE22 GLN A 16 51.700 0.618 1.198 1.00 0.00 H new ATOM 259 N TYR A 17 56.615 -0.395 5.765 1.00 0.00 N ATOM 260 CA TYR A 17 56.773 -1.802 6.234 1.00 0.00 C ATOM 261 C TYR A 17 57.132 -1.835 7.728 1.00 0.00 C ATOM 262 O TYR A 17 56.589 -2.622 8.479 1.00 0.00 O ATOM 263 CB TYR A 17 57.860 -2.507 5.392 1.00 0.00 C ATOM 264 CG TYR A 17 57.226 -3.169 4.182 1.00 0.00 C ATOM 265 CD1 TYR A 17 57.080 -2.464 2.980 1.00 0.00 C ATOM 266 CD2 TYR A 17 56.776 -4.491 4.275 1.00 0.00 C ATOM 267 CE1 TYR A 17 56.485 -3.084 1.874 1.00 0.00 C ATOM 268 CE2 TYR A 17 56.180 -5.109 3.170 1.00 0.00 C ATOM 269 CZ TYR A 17 56.036 -4.406 1.970 1.00 0.00 C ATOM 270 OH TYR A 17 55.447 -5.016 0.882 1.00 0.00 O ATOM 0 H TYR A 17 57.395 -0.029 5.220 1.00 0.00 H new ATOM 0 HA TYR A 17 55.829 -2.331 6.106 1.00 0.00 H new ATOM 0 HB2 TYR A 17 58.610 -1.784 5.071 1.00 0.00 H new ATOM 0 HB3 TYR A 17 58.375 -3.253 5.998 1.00 0.00 H new ATOM 0 HD1 TYR A 17 57.426 -1.444 2.906 1.00 0.00 H new ATOM 0 HD2 TYR A 17 56.889 -5.035 5.201 1.00 0.00 H new ATOM 0 HE1 TYR A 17 56.373 -2.542 0.947 1.00 0.00 H new ATOM 0 HE2 TYR A 17 55.831 -6.129 3.244 1.00 0.00 H new ATOM 0 HH TYR A 17 55.194 -5.933 1.118 1.00 0.00 H new ATOM 280 N SER A 18 58.034 -1.003 8.176 1.00 0.00 N ATOM 281 CA SER A 18 58.402 -1.015 9.623 1.00 0.00 C ATOM 282 C SER A 18 57.274 -0.398 10.451 1.00 0.00 C ATOM 283 O SER A 18 57.183 -0.605 11.645 1.00 0.00 O ATOM 284 CB SER A 18 59.678 -0.199 9.836 1.00 0.00 C ATOM 285 OG SER A 18 59.380 1.184 9.693 1.00 0.00 O ATOM 0 H SER A 18 58.530 -0.318 7.606 1.00 0.00 H new ATOM 0 HA SER A 18 58.565 -2.046 9.938 1.00 0.00 H new ATOM 0 HB2 SER A 18 60.087 -0.394 10.827 1.00 0.00 H new ATOM 0 HB3 SER A 18 60.438 -0.496 9.113 1.00 0.00 H new ATOM 0 HG SER A 18 59.316 1.598 10.579 1.00 0.00 H new ATOM 291 N GLY A 19 56.422 0.372 9.828 1.00 0.00 N ATOM 292 CA GLY A 19 55.307 1.024 10.576 1.00 0.00 C ATOM 293 C GLY A 19 54.117 0.072 10.696 1.00 0.00 C ATOM 294 O GLY A 19 53.009 0.490 10.971 1.00 0.00 O ATOM 0 H GLY A 19 56.450 0.578 8.829 1.00 0.00 H new ATOM 0 HA2 GLY A 19 55.649 1.316 11.569 1.00 0.00 H new ATOM 0 HA3 GLY A 19 55.001 1.936 10.063 1.00 0.00 H new ATOM 298 N ARG A 20 54.327 -1.202 10.517 1.00 0.00 N ATOM 299 CA ARG A 20 53.197 -2.160 10.651 1.00 0.00 C ATOM 300 C ARG A 20 52.963 -2.452 12.136 1.00 0.00 C ATOM 301 O ARG A 20 51.841 -2.475 12.602 1.00 0.00 O ATOM 302 CB ARG A 20 53.539 -3.453 9.911 1.00 0.00 C ATOM 303 CG ARG A 20 53.529 -3.188 8.404 1.00 0.00 C ATOM 304 CD ARG A 20 53.901 -4.468 7.659 1.00 0.00 C ATOM 305 NE ARG A 20 55.263 -4.898 8.076 1.00 0.00 N ATOM 306 CZ ARG A 20 55.860 -5.878 7.457 1.00 0.00 C ATOM 307 NH1 ARG A 20 55.263 -6.482 6.466 1.00 0.00 N ATOM 308 NH2 ARG A 20 57.054 -6.251 7.828 1.00 0.00 N ATOM 0 H ARG A 20 55.228 -1.619 10.285 1.00 0.00 H new ATOM 0 HA ARG A 20 52.292 -1.732 10.220 1.00 0.00 H new ATOM 0 HB2 ARG A 20 54.519 -3.816 10.222 1.00 0.00 H new ATOM 0 HB3 ARG A 20 52.817 -4.231 10.160 1.00 0.00 H new ATOM 0 HG2 ARG A 20 52.543 -2.846 8.091 1.00 0.00 H new ATOM 0 HG3 ARG A 20 54.234 -2.394 8.159 1.00 0.00 H new ATOM 0 HD2 ARG A 20 53.176 -5.253 7.876 1.00 0.00 H new ATOM 0 HD3 ARG A 20 53.874 -4.298 6.583 1.00 0.00 H new ATOM 0 HE ARG A 20 55.731 -4.425 8.849 1.00 0.00 H new ATOM 0 HH11 ARG A 20 54.330 -6.187 6.177 1.00 0.00 H new ATOM 0 HH12 ARG A 20 55.729 -7.249 5.981 1.00 0.00 H new ATOM 0 HH21 ARG A 20 57.519 -5.776 8.602 1.00 0.00 H new ATOM 0 HH22 ARG A 20 57.522 -7.018 7.345 1.00 0.00 H new ATOM 322 N GLU A 21 54.011 -2.685 12.883 1.00 0.00 N ATOM 323 CA GLU A 21 53.841 -2.984 14.334 1.00 0.00 C ATOM 324 C GLU A 21 55.211 -2.952 15.022 1.00 0.00 C ATOM 325 O GLU A 21 56.229 -3.205 14.408 1.00 0.00 O ATOM 326 CB GLU A 21 53.221 -4.378 14.484 1.00 0.00 C ATOM 327 CG GLU A 21 52.822 -4.628 15.944 1.00 0.00 C ATOM 328 CD GLU A 21 54.060 -4.986 16.775 1.00 0.00 C ATOM 329 OE1 GLU A 21 55.053 -5.387 16.190 1.00 0.00 O ATOM 330 OE2 GLU A 21 53.992 -4.852 17.986 1.00 0.00 O ATOM 0 H GLU A 21 54.975 -2.681 12.551 1.00 0.00 H new ATOM 0 HA GLU A 21 53.190 -2.241 14.795 1.00 0.00 H new ATOM 0 HB2 GLU A 21 52.346 -4.465 13.840 1.00 0.00 H new ATOM 0 HB3 GLU A 21 53.933 -5.137 14.159 1.00 0.00 H new ATOM 0 HG2 GLU A 21 52.343 -3.740 16.355 1.00 0.00 H new ATOM 0 HG3 GLU A 21 52.093 -5.437 15.997 1.00 0.00 H new ATOM 337 N GLY A 22 55.247 -2.649 16.294 1.00 0.00 N ATOM 338 CA GLY A 22 56.554 -2.609 17.022 1.00 0.00 C ATOM 339 C GLY A 22 57.187 -1.224 16.867 1.00 0.00 C ATOM 340 O GLY A 22 57.929 -0.972 15.939 1.00 0.00 O ATOM 0 H GLY A 22 54.429 -2.427 16.861 1.00 0.00 H new ATOM 0 HA2 GLY A 22 56.401 -2.834 18.078 1.00 0.00 H new ATOM 0 HA3 GLY A 22 57.225 -3.372 16.628 1.00 0.00 H new ATOM 344 N ASP A 23 56.897 -0.322 17.769 1.00 0.00 N ATOM 345 CA ASP A 23 57.479 1.047 17.671 1.00 0.00 C ATOM 346 C ASP A 23 57.278 1.573 16.246 1.00 0.00 C ATOM 347 O ASP A 23 56.243 1.363 15.647 1.00 0.00 O ATOM 348 CB ASP A 23 58.972 0.996 18.004 1.00 0.00 C ATOM 349 CG ASP A 23 59.156 0.541 19.453 1.00 0.00 C ATOM 350 OD1 ASP A 23 58.474 1.076 20.313 1.00 0.00 O ATOM 351 OD2 ASP A 23 59.975 -0.334 19.680 1.00 0.00 O ATOM 0 H ASP A 23 56.282 -0.476 18.568 1.00 0.00 H new ATOM 0 HA ASP A 23 56.983 1.712 18.378 1.00 0.00 H new ATOM 0 HB2 ASP A 23 59.483 0.310 17.328 1.00 0.00 H new ATOM 0 HB3 ASP A 23 59.421 1.979 17.860 1.00 0.00 H new ATOM 356 N LYS A 24 58.258 2.255 15.696 1.00 0.00 N ATOM 357 CA LYS A 24 58.121 2.794 14.305 1.00 0.00 C ATOM 358 C LYS A 24 59.358 2.437 13.473 1.00 0.00 C ATOM 359 O LYS A 24 59.252 2.136 12.301 1.00 0.00 O ATOM 360 CB LYS A 24 57.982 4.318 14.366 1.00 0.00 C ATOM 361 CG LYS A 24 56.633 4.684 14.988 1.00 0.00 C ATOM 362 CD LYS A 24 56.497 6.208 15.049 1.00 0.00 C ATOM 363 CE LYS A 24 55.149 6.578 15.670 1.00 0.00 C ATOM 364 NZ LYS A 24 55.123 8.038 15.970 1.00 0.00 N ATOM 0 H LYS A 24 59.147 2.461 16.152 1.00 0.00 H new ATOM 0 HA LYS A 24 57.239 2.354 13.840 1.00 0.00 H new ATOM 0 HB2 LYS A 24 58.794 4.744 14.956 1.00 0.00 H new ATOM 0 HB3 LYS A 24 58.059 4.741 13.364 1.00 0.00 H new ATOM 0 HG2 LYS A 24 55.821 4.259 14.398 1.00 0.00 H new ATOM 0 HG3 LYS A 24 56.555 4.261 15.989 1.00 0.00 H new ATOM 0 HD2 LYS A 24 57.309 6.632 15.639 1.00 0.00 H new ATOM 0 HD3 LYS A 24 56.576 6.631 14.047 1.00 0.00 H new ATOM 0 HE2 LYS A 24 54.339 6.322 14.987 1.00 0.00 H new ATOM 0 HE3 LYS A 24 54.988 6.005 16.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 54.206 8.289 16.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 55.887 8.269 16.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 55.258 8.576 15.090 1.00 0.00 H new ATOM 378 N HIS A 25 60.532 2.492 14.060 1.00 0.00 N ATOM 379 CA HIS A 25 61.787 2.182 13.298 1.00 0.00 C ATOM 380 C HIS A 25 62.447 0.902 13.826 1.00 0.00 C ATOM 381 O HIS A 25 63.577 0.609 13.491 1.00 0.00 O ATOM 382 CB HIS A 25 62.761 3.351 13.458 1.00 0.00 C ATOM 383 CG HIS A 25 62.132 4.608 12.917 1.00 0.00 C ATOM 384 ND1 HIS A 25 62.477 5.867 13.388 1.00 0.00 N ATOM 385 CD2 HIS A 25 61.171 4.816 11.956 1.00 0.00 C ATOM 386 CE1 HIS A 25 61.734 6.769 12.719 1.00 0.00 C ATOM 387 NE2 HIS A 25 60.924 6.180 11.838 1.00 0.00 N ATOM 0 H HIS A 25 60.676 2.740 15.039 1.00 0.00 H new ATOM 0 HA HIS A 25 61.534 2.033 12.248 1.00 0.00 H new ATOM 0 HB2 HIS A 25 63.017 3.483 14.509 1.00 0.00 H new ATOM 0 HB3 HIS A 25 63.690 3.139 12.928 1.00 0.00 H new ATOM 0 HD2 HIS A 25 60.684 4.041 11.382 1.00 0.00 H new ATOM 0 HE1 HIS A 25 61.787 7.836 12.876 1.00 0.00 H new ATOM 0 HE2 HIS A 25 60.262 6.635 11.209 1.00 0.00 H new ATOM 396 N LYS A 26 61.763 0.134 14.638 1.00 0.00 N ATOM 397 CA LYS A 26 62.372 -1.130 15.175 1.00 0.00 C ATOM 398 C LYS A 26 61.739 -2.328 14.463 1.00 0.00 C ATOM 399 O LYS A 26 60.538 -2.517 14.493 1.00 0.00 O ATOM 400 CB LYS A 26 62.093 -1.243 16.678 1.00 0.00 C ATOM 401 CG LYS A 26 62.620 -0.003 17.419 1.00 0.00 C ATOM 402 CD LYS A 26 64.155 -0.004 17.445 1.00 0.00 C ATOM 403 CE LYS A 26 64.647 1.048 18.442 1.00 0.00 C ATOM 404 NZ LYS A 26 64.270 2.403 17.955 1.00 0.00 N ATOM 0 H LYS A 26 60.812 0.324 14.953 1.00 0.00 H new ATOM 0 HA LYS A 26 63.449 -1.114 15.005 1.00 0.00 H new ATOM 0 HB2 LYS A 26 61.021 -1.347 16.848 1.00 0.00 H new ATOM 0 HB3 LYS A 26 62.568 -2.140 17.075 1.00 0.00 H new ATOM 0 HG2 LYS A 26 62.259 0.901 16.929 1.00 0.00 H new ATOM 0 HG3 LYS A 26 62.233 0.011 18.438 1.00 0.00 H new ATOM 0 HD2 LYS A 26 64.524 -0.990 17.728 1.00 0.00 H new ATOM 0 HD3 LYS A 26 64.547 0.210 16.451 1.00 0.00 H new ATOM 0 HE2 LYS A 26 64.210 0.867 19.424 1.00 0.00 H new ATOM 0 HE3 LYS A 26 65.729 0.978 18.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 64.731 3.125 18.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 64.577 2.515 16.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 63.238 2.517 18.011 1.00 0.00 H new ATOM 418 N LEU A 27 62.538 -3.134 13.811 1.00 0.00 N ATOM 419 CA LEU A 27 61.982 -4.317 13.084 1.00 0.00 C ATOM 420 C LEU A 27 62.135 -5.571 13.941 1.00 0.00 C ATOM 421 O LEU A 27 63.219 -5.926 14.362 1.00 0.00 O ATOM 422 CB LEU A 27 62.748 -4.514 11.777 1.00 0.00 C ATOM 423 CG LEU A 27 62.543 -3.305 10.857 1.00 0.00 C ATOM 424 CD1 LEU A 27 63.460 -3.444 9.640 1.00 0.00 C ATOM 425 CD2 LEU A 27 61.073 -3.225 10.398 1.00 0.00 C ATOM 0 H LEU A 27 63.550 -3.025 13.750 1.00 0.00 H new ATOM 0 HA LEU A 27 60.926 -4.144 12.876 1.00 0.00 H new ATOM 0 HB2 LEU A 27 63.810 -4.646 11.985 1.00 0.00 H new ATOM 0 HB3 LEU A 27 62.406 -5.421 11.279 1.00 0.00 H new ATOM 0 HG LEU A 27 62.786 -2.392 11.401 1.00 0.00 H new ATOM 0 HD11 LEU A 27 63.321 -2.588 8.980 1.00 0.00 H new ATOM 0 HD12 LEU A 27 64.498 -3.483 9.969 1.00 0.00 H new ATOM 0 HD13 LEU A 27 63.215 -4.360 9.103 1.00 0.00 H new ATOM 0 HD21 LEU A 27 60.942 -2.362 9.745 1.00 0.00 H new ATOM 0 HD22 LEU A 27 60.811 -4.133 9.855 1.00 0.00 H new ATOM 0 HD23 LEU A 27 60.425 -3.123 11.269 1.00 0.00 H new ATOM 437 N LYS A 28 61.050 -6.252 14.189 1.00 0.00 N ATOM 438 CA LYS A 28 61.103 -7.500 15.005 1.00 0.00 C ATOM 439 C LYS A 28 61.317 -8.691 14.070 1.00 0.00 C ATOM 440 O LYS A 28 61.115 -8.592 12.875 1.00 0.00 O ATOM 441 CB LYS A 28 59.785 -7.667 15.768 1.00 0.00 C ATOM 442 CG LYS A 28 59.849 -8.934 16.632 1.00 0.00 C ATOM 443 CD LYS A 28 58.678 -8.960 17.633 1.00 0.00 C ATOM 444 CE LYS A 28 59.049 -8.187 18.908 1.00 0.00 C ATOM 445 NZ LYS A 28 59.952 -9.023 19.748 1.00 0.00 N ATOM 0 H LYS A 28 60.120 -5.995 13.858 1.00 0.00 H new ATOM 0 HA LYS A 28 61.923 -7.444 15.721 1.00 0.00 H new ATOM 0 HB2 LYS A 28 59.603 -6.795 16.396 1.00 0.00 H new ATOM 0 HB3 LYS A 28 58.953 -7.734 15.067 1.00 0.00 H new ATOM 0 HG2 LYS A 28 59.812 -9.818 15.996 1.00 0.00 H new ATOM 0 HG3 LYS A 28 60.797 -8.968 17.170 1.00 0.00 H new ATOM 0 HD2 LYS A 28 57.791 -8.519 17.177 1.00 0.00 H new ATOM 0 HD3 LYS A 28 58.428 -9.991 17.884 1.00 0.00 H new ATOM 0 HE2 LYS A 28 59.540 -7.249 18.648 1.00 0.00 H new ATOM 0 HE3 LYS A 28 58.149 -7.931 19.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 59.988 -8.634 20.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 59.591 -9.998 19.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 60.908 -9.021 19.338 1.00 0.00 H new ATOM 459 N LYS A 29 61.733 -9.813 14.589 1.00 0.00 N ATOM 460 CA LYS A 29 61.961 -10.987 13.705 1.00 0.00 C ATOM 461 C LYS A 29 60.678 -11.293 12.928 1.00 0.00 C ATOM 462 O LYS A 29 60.716 -11.619 11.758 1.00 0.00 O ATOM 463 CB LYS A 29 62.392 -12.197 14.543 1.00 0.00 C ATOM 464 CG LYS A 29 61.358 -12.492 15.633 1.00 0.00 C ATOM 465 CD LYS A 29 61.836 -13.686 16.464 1.00 0.00 C ATOM 466 CE LYS A 29 60.793 -14.034 17.528 1.00 0.00 C ATOM 467 NZ LYS A 29 61.285 -15.178 18.346 1.00 0.00 N ATOM 0 H LYS A 29 61.923 -9.966 15.579 1.00 0.00 H new ATOM 0 HA LYS A 29 62.757 -10.763 12.995 1.00 0.00 H new ATOM 0 HB2 LYS A 29 62.509 -13.069 13.899 1.00 0.00 H new ATOM 0 HB3 LYS A 29 63.363 -12.004 14.998 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.224 -11.619 16.271 1.00 0.00 H new ATOM 0 HG3 LYS A 29 60.389 -12.710 15.184 1.00 0.00 H new ATOM 0 HD2 LYS A 29 62.007 -14.545 15.816 1.00 0.00 H new ATOM 0 HD3 LYS A 29 62.788 -13.451 16.940 1.00 0.00 H new ATOM 0 HE2 LYS A 29 60.606 -13.170 18.166 1.00 0.00 H new ATOM 0 HE3 LYS A 29 59.846 -14.292 17.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 60.578 -15.417 19.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 61.443 -16.002 17.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 62.179 -14.915 18.808 1.00 0.00 H new ATOM 481 N SER A 30 59.543 -11.171 13.556 1.00 0.00 N ATOM 482 CA SER A 30 58.263 -11.432 12.840 1.00 0.00 C ATOM 483 C SER A 30 58.140 -10.462 11.655 1.00 0.00 C ATOM 484 O SER A 30 57.648 -10.810 10.600 1.00 0.00 O ATOM 485 CB SER A 30 57.088 -11.230 13.798 1.00 0.00 C ATOM 486 OG SER A 30 57.010 -9.859 14.164 1.00 0.00 O ATOM 0 H SER A 30 59.446 -10.902 14.535 1.00 0.00 H new ATOM 0 HA SER A 30 58.251 -12.458 12.473 1.00 0.00 H new ATOM 0 HB2 SER A 30 56.159 -11.545 13.323 1.00 0.00 H new ATOM 0 HB3 SER A 30 57.218 -11.848 14.686 1.00 0.00 H new ATOM 0 HG SER A 30 56.257 -9.726 14.777 1.00 0.00 H new ATOM 492 N GLU A 31 58.596 -9.249 11.827 1.00 0.00 N ATOM 493 CA GLU A 31 58.526 -8.246 10.719 1.00 0.00 C ATOM 494 C GLU A 31 59.469 -8.674 9.593 1.00 0.00 C ATOM 495 O GLU A 31 59.226 -8.429 8.428 1.00 0.00 O ATOM 496 CB GLU A 31 58.968 -6.872 11.240 1.00 0.00 C ATOM 497 CG GLU A 31 58.022 -6.401 12.351 1.00 0.00 C ATOM 498 CD GLU A 31 56.733 -5.854 11.736 1.00 0.00 C ATOM 499 OE1 GLU A 31 56.782 -4.768 11.180 1.00 0.00 O ATOM 500 OE2 GLU A 31 55.721 -6.529 11.829 1.00 0.00 O ATOM 0 H GLU A 31 59.016 -8.907 12.691 1.00 0.00 H new ATOM 0 HA GLU A 31 57.502 -8.187 10.349 1.00 0.00 H new ATOM 0 HB2 GLU A 31 59.988 -6.929 11.620 1.00 0.00 H new ATOM 0 HB3 GLU A 31 58.972 -6.149 10.424 1.00 0.00 H new ATOM 0 HG2 GLU A 31 57.793 -7.229 13.022 1.00 0.00 H new ATOM 0 HG3 GLU A 31 58.506 -5.630 12.950 1.00 0.00 H new ATOM 507 N LEU A 32 60.542 -9.328 9.942 1.00 0.00 N ATOM 508 CA LEU A 32 61.507 -9.793 8.904 1.00 0.00 C ATOM 509 C LEU A 32 60.880 -10.923 8.090 1.00 0.00 C ATOM 510 O LEU A 32 61.050 -11.005 6.890 1.00 0.00 O ATOM 511 CB LEU A 32 62.795 -10.307 9.563 1.00 0.00 C ATOM 512 CG LEU A 32 63.521 -9.170 10.296 1.00 0.00 C ATOM 513 CD1 LEU A 32 64.806 -9.724 10.923 1.00 0.00 C ATOM 514 CD2 LEU A 32 63.872 -8.034 9.316 1.00 0.00 C ATOM 0 H LEU A 32 60.793 -9.561 10.903 1.00 0.00 H new ATOM 0 HA LEU A 32 61.748 -8.953 8.252 1.00 0.00 H new ATOM 0 HB2 LEU A 32 62.556 -11.105 10.266 1.00 0.00 H new ATOM 0 HB3 LEU A 32 63.451 -10.735 8.805 1.00 0.00 H new ATOM 0 HG LEU A 32 62.868 -8.769 11.071 1.00 0.00 H new ATOM 0 HD11 LEU A 32 65.330 -8.924 11.446 1.00 0.00 H new ATOM 0 HD12 LEU A 32 64.554 -10.516 11.629 1.00 0.00 H new ATOM 0 HD13 LEU A 32 65.449 -10.127 10.140 1.00 0.00 H new ATOM 0 HD21 LEU A 32 64.386 -7.237 9.853 1.00 0.00 H new ATOM 0 HD22 LEU A 32 64.521 -8.419 8.530 1.00 0.00 H new ATOM 0 HD23 LEU A 32 62.957 -7.641 8.872 1.00 0.00 H new ATOM 526 N LYS A 33 60.165 -11.799 8.733 1.00 0.00 N ATOM 527 CA LYS A 33 59.533 -12.931 8.000 1.00 0.00 C ATOM 528 C LYS A 33 58.520 -12.409 6.975 1.00 0.00 C ATOM 529 O LYS A 33 58.468 -12.871 5.852 1.00 0.00 O ATOM 530 CB LYS A 33 58.820 -13.839 9.005 1.00 0.00 C ATOM 531 CG LYS A 33 58.314 -15.095 8.295 1.00 0.00 C ATOM 532 CD LYS A 33 57.602 -15.998 9.304 1.00 0.00 C ATOM 533 CE LYS A 33 57.180 -17.298 8.618 1.00 0.00 C ATOM 534 NZ LYS A 33 58.393 -18.024 8.145 1.00 0.00 N ATOM 0 H LYS A 33 59.989 -11.781 9.738 1.00 0.00 H new ATOM 0 HA LYS A 33 60.306 -13.489 7.472 1.00 0.00 H new ATOM 0 HB2 LYS A 33 59.502 -14.114 9.809 1.00 0.00 H new ATOM 0 HB3 LYS A 33 57.986 -13.307 9.463 1.00 0.00 H new ATOM 0 HG2 LYS A 33 57.631 -14.821 7.491 1.00 0.00 H new ATOM 0 HG3 LYS A 33 59.148 -15.628 7.838 1.00 0.00 H new ATOM 0 HD2 LYS A 33 58.263 -16.215 10.143 1.00 0.00 H new ATOM 0 HD3 LYS A 33 56.728 -15.489 9.710 1.00 0.00 H new ATOM 0 HE2 LYS A 33 56.617 -17.922 9.312 1.00 0.00 H new ATOM 0 HE3 LYS A 33 56.521 -17.081 7.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 58.352 -19.013 8.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 58.431 -17.996 7.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 59.243 -17.570 8.535 1.00 0.00 H new ATOM 548 N GLU A 34 57.707 -11.455 7.349 1.00 0.00 N ATOM 549 CA GLU A 34 56.699 -10.925 6.384 1.00 0.00 C ATOM 550 C GLU A 34 57.399 -10.129 5.284 1.00 0.00 C ATOM 551 O GLU A 34 57.088 -10.253 4.116 1.00 0.00 O ATOM 552 CB GLU A 34 55.709 -10.017 7.117 1.00 0.00 C ATOM 553 CG GLU A 34 54.640 -9.526 6.138 1.00 0.00 C ATOM 554 CD GLU A 34 53.610 -8.681 6.888 1.00 0.00 C ATOM 555 OE1 GLU A 34 53.661 -8.667 8.107 1.00 0.00 O ATOM 556 OE2 GLU A 34 52.789 -8.063 6.231 1.00 0.00 O ATOM 0 H GLU A 34 57.697 -11.023 8.273 1.00 0.00 H new ATOM 0 HA GLU A 34 56.163 -11.762 5.937 1.00 0.00 H new ATOM 0 HB2 GLU A 34 55.242 -10.560 7.939 1.00 0.00 H new ATOM 0 HB3 GLU A 34 56.234 -9.168 7.554 1.00 0.00 H new ATOM 0 HG2 GLU A 34 55.101 -8.937 5.345 1.00 0.00 H new ATOM 0 HG3 GLU A 34 54.151 -10.375 5.661 1.00 0.00 H new ATOM 563 N LEU A 35 58.331 -9.301 5.653 1.00 0.00 N ATOM 564 CA LEU A 35 59.045 -8.478 4.638 1.00 0.00 C ATOM 565 C LEU A 35 59.743 -9.410 3.643 1.00 0.00 C ATOM 566 O LEU A 35 59.627 -9.259 2.443 1.00 0.00 O ATOM 567 CB LEU A 35 60.085 -7.603 5.353 1.00 0.00 C ATOM 568 CG LEU A 35 60.827 -6.701 4.350 1.00 0.00 C ATOM 569 CD1 LEU A 35 59.887 -5.604 3.825 1.00 0.00 C ATOM 570 CD2 LEU A 35 62.022 -6.052 5.053 1.00 0.00 C ATOM 0 H LEU A 35 58.632 -9.157 6.617 1.00 0.00 H new ATOM 0 HA LEU A 35 58.341 -7.841 4.102 1.00 0.00 H new ATOM 0 HB2 LEU A 35 59.593 -6.988 6.106 1.00 0.00 H new ATOM 0 HB3 LEU A 35 60.801 -8.237 5.877 1.00 0.00 H new ATOM 0 HG LEU A 35 61.169 -7.304 3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 35 60.424 -4.973 3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 35 59.034 -6.064 3.327 1.00 0.00 H new ATOM 0 HD13 LEU A 35 59.536 -4.996 4.659 1.00 0.00 H new ATOM 0 HD21 LEU A 35 62.554 -5.411 4.350 1.00 0.00 H new ATOM 0 HD22 LEU A 35 61.669 -5.454 5.893 1.00 0.00 H new ATOM 0 HD23 LEU A 35 62.695 -6.828 5.417 1.00 0.00 H new ATOM 582 N ILE A 36 60.473 -10.366 4.143 1.00 0.00 N ATOM 583 CA ILE A 36 61.197 -11.314 3.248 1.00 0.00 C ATOM 584 C ILE A 36 60.204 -12.067 2.353 1.00 0.00 C ATOM 585 O ILE A 36 60.385 -12.163 1.155 1.00 0.00 O ATOM 586 CB ILE A 36 61.974 -12.311 4.118 1.00 0.00 C ATOM 587 CG1 ILE A 36 63.106 -11.570 4.841 1.00 0.00 C ATOM 588 CG2 ILE A 36 62.564 -13.425 3.244 1.00 0.00 C ATOM 589 CD1 ILE A 36 63.646 -12.436 5.984 1.00 0.00 C ATOM 0 H ILE A 36 60.601 -10.534 5.141 1.00 0.00 H new ATOM 0 HA ILE A 36 61.884 -10.760 2.608 1.00 0.00 H new ATOM 0 HB ILE A 36 61.298 -12.757 4.848 1.00 0.00 H new ATOM 0 HG12 ILE A 36 63.907 -11.337 4.139 1.00 0.00 H new ATOM 0 HG13 ILE A 36 62.740 -10.621 5.233 1.00 0.00 H new ATOM 0 HG21 ILE A 36 63.113 -14.127 3.871 1.00 0.00 H new ATOM 0 HG22 ILE A 36 61.758 -13.950 2.731 1.00 0.00 H new ATOM 0 HG23 ILE A 36 63.240 -12.990 2.508 1.00 0.00 H new ATOM 0 HD11 ILE A 36 64.450 -11.905 6.494 1.00 0.00 H new ATOM 0 HD12 ILE A 36 62.844 -12.646 6.691 1.00 0.00 H new ATOM 0 HD13 ILE A 36 64.029 -13.373 5.581 1.00 0.00 H new ATOM 601 N ASN A 37 59.164 -12.613 2.923 1.00 0.00 N ATOM 602 CA ASN A 37 58.173 -13.371 2.101 1.00 0.00 C ATOM 603 C ASN A 37 57.541 -12.460 1.043 1.00 0.00 C ATOM 604 O ASN A 37 57.323 -12.864 -0.083 1.00 0.00 O ATOM 605 CB ASN A 37 57.073 -13.921 3.013 1.00 0.00 C ATOM 606 CG ASN A 37 57.641 -15.043 3.885 1.00 0.00 C ATOM 607 OD1 ASN A 37 56.955 -15.573 4.736 1.00 0.00 O ATOM 608 ND2 ASN A 37 58.875 -15.431 3.709 1.00 0.00 N ATOM 0 H ASN A 37 58.957 -12.568 3.921 1.00 0.00 H new ATOM 0 HA ASN A 37 58.688 -14.190 1.599 1.00 0.00 H new ATOM 0 HB2 ASN A 37 56.676 -13.124 3.642 1.00 0.00 H new ATOM 0 HB3 ASN A 37 56.244 -14.297 2.413 1.00 0.00 H new ATOM 0 HD21 ASN A 37 59.262 -16.178 4.286 1.00 0.00 H new ATOM 0 HD22 ASN A 37 59.452 -14.987 2.995 1.00 0.00 H new ATOM 615 N ASN A 38 57.242 -11.239 1.390 1.00 0.00 N ATOM 616 CA ASN A 38 56.622 -10.315 0.397 1.00 0.00 C ATOM 617 C ASN A 38 57.679 -9.809 -0.589 1.00 0.00 C ATOM 618 O ASN A 38 57.438 -9.709 -1.776 1.00 0.00 O ATOM 619 CB ASN A 38 55.999 -9.124 1.128 1.00 0.00 C ATOM 620 CG ASN A 38 54.766 -9.587 1.906 1.00 0.00 C ATOM 621 OD1 ASN A 38 54.202 -10.624 1.615 1.00 0.00 O ATOM 622 ND2 ASN A 38 54.321 -8.855 2.892 1.00 0.00 N ATOM 0 H ASN A 38 57.399 -10.841 2.316 1.00 0.00 H new ATOM 0 HA ASN A 38 55.852 -10.854 -0.154 1.00 0.00 H new ATOM 0 HB2 ASN A 38 56.726 -8.682 1.809 1.00 0.00 H new ATOM 0 HB3 ASN A 38 55.721 -8.350 0.412 1.00 0.00 H new ATOM 0 HD21 ASN A 38 53.500 -9.153 3.418 1.00 0.00 H new ATOM 0 HD22 ASN A 38 54.795 -7.985 3.136 1.00 0.00 H new ATOM 629 N GLU A 39 58.840 -9.466 -0.100 1.00 0.00 N ATOM 630 CA GLU A 39 59.907 -8.937 -1.002 1.00 0.00 C ATOM 631 C GLU A 39 60.755 -10.074 -1.573 1.00 0.00 C ATOM 632 O GLU A 39 60.638 -10.422 -2.732 1.00 0.00 O ATOM 633 CB GLU A 39 60.808 -7.984 -0.217 1.00 0.00 C ATOM 634 CG GLU A 39 60.037 -6.705 0.110 1.00 0.00 C ATOM 635 CD GLU A 39 60.939 -5.754 0.896 1.00 0.00 C ATOM 636 OE1 GLU A 39 62.007 -6.182 1.301 1.00 0.00 O ATOM 637 OE2 GLU A 39 60.550 -4.612 1.074 1.00 0.00 O ATOM 0 H GLU A 39 59.097 -9.529 0.885 1.00 0.00 H new ATOM 0 HA GLU A 39 59.430 -8.410 -1.828 1.00 0.00 H new ATOM 0 HB2 GLU A 39 61.147 -8.462 0.702 1.00 0.00 H new ATOM 0 HB3 GLU A 39 61.698 -7.746 -0.799 1.00 0.00 H new ATOM 0 HG2 GLU A 39 59.699 -6.226 -0.809 1.00 0.00 H new ATOM 0 HG3 GLU A 39 59.147 -6.943 0.692 1.00 0.00 H new ATOM 644 N LEU A 40 61.626 -10.644 -0.782 1.00 0.00 N ATOM 645 CA LEU A 40 62.498 -11.743 -1.301 1.00 0.00 C ATOM 646 C LEU A 40 61.850 -13.102 -1.042 1.00 0.00 C ATOM 647 O LEU A 40 61.887 -13.627 0.053 1.00 0.00 O ATOM 648 CB LEU A 40 63.856 -11.692 -0.593 1.00 0.00 C ATOM 649 CG LEU A 40 64.540 -10.342 -0.851 1.00 0.00 C ATOM 650 CD1 LEU A 40 65.885 -10.317 -0.116 1.00 0.00 C ATOM 651 CD2 LEU A 40 64.775 -10.143 -2.361 1.00 0.00 C ATOM 0 H LEU A 40 61.772 -10.399 0.197 1.00 0.00 H new ATOM 0 HA LEU A 40 62.631 -11.610 -2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 40 63.721 -11.840 0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 40 64.491 -12.503 -0.950 1.00 0.00 H new ATOM 0 HG LEU A 40 63.900 -9.538 -0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 40 66.379 -9.362 -0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 40 65.718 -10.446 0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 40 66.516 -11.126 -0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 40 65.261 -9.182 -2.530 1.00 0.00 H new ATOM 0 HD22 LEU A 40 65.412 -10.943 -2.739 1.00 0.00 H new ATOM 0 HD23 LEU A 40 63.819 -10.163 -2.884 1.00 0.00 H new ATOM 663 N SER A 41 61.275 -13.684 -2.059 1.00 0.00 N ATOM 664 CA SER A 41 60.635 -15.023 -1.918 1.00 0.00 C ATOM 665 C SER A 41 60.943 -15.835 -3.174 1.00 0.00 C ATOM 666 O SER A 41 61.374 -16.970 -3.111 1.00 0.00 O ATOM 667 CB SER A 41 59.122 -14.860 -1.774 1.00 0.00 C ATOM 668 OG SER A 41 58.652 -13.940 -2.752 1.00 0.00 O ATOM 0 H SER A 41 61.221 -13.282 -2.995 1.00 0.00 H new ATOM 0 HA SER A 41 61.020 -15.531 -1.034 1.00 0.00 H new ATOM 0 HB2 SER A 41 58.628 -15.824 -1.898 1.00 0.00 H new ATOM 0 HB3 SER A 41 58.877 -14.502 -0.774 1.00 0.00 H new ATOM 0 HG SER A 41 57.682 -13.835 -2.663 1.00 0.00 H new ATOM 674 N HIS A 42 60.716 -15.252 -4.319 1.00 0.00 N ATOM 675 CA HIS A 42 60.982 -15.965 -5.598 1.00 0.00 C ATOM 676 C HIS A 42 62.462 -15.839 -5.966 1.00 0.00 C ATOM 677 O HIS A 42 62.896 -16.350 -6.979 1.00 0.00 O ATOM 678 CB HIS A 42 60.132 -15.345 -6.708 1.00 0.00 C ATOM 679 CG HIS A 42 60.318 -16.125 -7.979 1.00 0.00 C ATOM 680 ND1 HIS A 42 59.596 -17.279 -8.249 1.00 0.00 N ATOM 681 CD2 HIS A 42 61.137 -15.930 -9.063 1.00 0.00 C ATOM 682 CE1 HIS A 42 59.993 -17.732 -9.454 1.00 0.00 C ATOM 683 NE2 HIS A 42 60.929 -16.945 -9.989 1.00 0.00 N ATOM 0 H HIS A 42 60.354 -14.304 -4.423 1.00 0.00 H new ATOM 0 HA HIS A 42 60.728 -17.019 -5.482 1.00 0.00 H new ATOM 0 HB2 HIS A 42 59.081 -15.346 -6.419 1.00 0.00 H new ATOM 0 HB3 HIS A 42 60.419 -14.305 -6.862 1.00 0.00 H new ATOM 0 HD2 HIS A 42 61.835 -15.114 -9.178 1.00 0.00 H new ATOM 0 HE1 HIS A 42 59.603 -18.621 -9.928 1.00 0.00 H new ATOM 0 HE2 HIS A 42 61.394 -17.064 -10.889 1.00 0.00 H new ATOM 692 N PHE A 43 63.248 -15.178 -5.147 1.00 0.00 N ATOM 693 CA PHE A 43 64.713 -15.030 -5.434 1.00 0.00 C ATOM 694 C PHE A 43 65.486 -15.788 -4.343 1.00 0.00 C ATOM 695 O PHE A 43 66.661 -16.067 -4.479 1.00 0.00 O ATOM 696 CB PHE A 43 65.086 -13.528 -5.387 1.00 0.00 C ATOM 697 CG PHE A 43 65.113 -12.931 -6.783 1.00 0.00 C ATOM 698 CD1 PHE A 43 64.045 -13.148 -7.663 1.00 0.00 C ATOM 699 CD2 PHE A 43 66.206 -12.153 -7.192 1.00 0.00 C ATOM 700 CE1 PHE A 43 64.072 -12.591 -8.949 1.00 0.00 C ATOM 701 CE2 PHE A 43 66.232 -11.594 -8.476 1.00 0.00 C ATOM 702 CZ PHE A 43 65.165 -11.813 -9.354 1.00 0.00 C ATOM 0 H PHE A 43 62.935 -14.731 -4.285 1.00 0.00 H new ATOM 0 HA PHE A 43 64.959 -15.430 -6.418 1.00 0.00 H new ATOM 0 HB2 PHE A 43 64.366 -12.990 -4.771 1.00 0.00 H new ATOM 0 HB3 PHE A 43 66.062 -13.406 -4.916 1.00 0.00 H new ATOM 0 HD1 PHE A 43 63.201 -13.745 -7.351 1.00 0.00 H new ATOM 0 HD2 PHE A 43 67.030 -11.984 -6.515 1.00 0.00 H new ATOM 0 HE1 PHE A 43 63.250 -12.762 -9.628 1.00 0.00 H new ATOM 0 HE2 PHE A 43 67.075 -10.995 -8.788 1.00 0.00 H new ATOM 0 HZ PHE A 43 65.184 -11.382 -10.344 1.00 0.00 H new ATOM 712 N LEU A 44 64.825 -16.106 -3.257 1.00 0.00 N ATOM 713 CA LEU A 44 65.494 -16.832 -2.129 1.00 0.00 C ATOM 714 C LEU A 44 64.595 -17.984 -1.669 1.00 0.00 C ATOM 715 O LEU A 44 63.391 -17.951 -1.837 1.00 0.00 O ATOM 716 CB LEU A 44 65.714 -15.851 -0.969 1.00 0.00 C ATOM 717 CG LEU A 44 66.399 -16.553 0.215 1.00 0.00 C ATOM 718 CD1 LEU A 44 67.777 -17.094 -0.207 1.00 0.00 C ATOM 719 CD2 LEU A 44 66.571 -15.543 1.355 1.00 0.00 C ATOM 0 H LEU A 44 63.840 -15.892 -3.101 1.00 0.00 H new ATOM 0 HA LEU A 44 66.453 -17.233 -2.456 1.00 0.00 H new ATOM 0 HB2 LEU A 44 66.326 -15.014 -1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 44 64.757 -15.438 -0.649 1.00 0.00 H new ATOM 0 HG LEU A 44 65.783 -17.390 0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 44 68.249 -17.588 0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 44 67.654 -17.809 -1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 44 68.405 -16.268 -0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 44 67.056 -16.029 2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 44 67.186 -14.710 1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 44 65.594 -15.171 1.662 1.00 0.00 H new ATOM 731 N GLU A 45 65.169 -18.997 -1.084 1.00 0.00 N ATOM 732 CA GLU A 45 64.354 -20.149 -0.609 1.00 0.00 C ATOM 733 C GLU A 45 63.338 -19.652 0.422 1.00 0.00 C ATOM 734 O GLU A 45 63.628 -18.798 1.235 1.00 0.00 O ATOM 735 CB GLU A 45 65.271 -21.192 0.034 1.00 0.00 C ATOM 736 CG GLU A 45 66.145 -21.839 -1.043 1.00 0.00 C ATOM 737 CD GLU A 45 65.274 -22.707 -1.952 1.00 0.00 C ATOM 738 OE1 GLU A 45 64.225 -23.134 -1.502 1.00 0.00 O ATOM 739 OE2 GLU A 45 65.671 -22.928 -3.085 1.00 0.00 O ATOM 0 H GLU A 45 66.171 -19.077 -0.914 1.00 0.00 H new ATOM 0 HA GLU A 45 63.830 -20.602 -1.451 1.00 0.00 H new ATOM 0 HB2 GLU A 45 65.898 -20.722 0.792 1.00 0.00 H new ATOM 0 HB3 GLU A 45 64.676 -21.953 0.539 1.00 0.00 H new ATOM 0 HG2 GLU A 45 66.648 -21.070 -1.629 1.00 0.00 H new ATOM 0 HG3 GLU A 45 66.923 -22.446 -0.579 1.00 0.00 H new ATOM 746 N GLU A 46 62.142 -20.169 0.379 1.00 0.00 N ATOM 747 CA GLU A 46 61.093 -19.719 1.338 1.00 0.00 C ATOM 748 C GLU A 46 61.493 -20.107 2.766 1.00 0.00 C ATOM 749 O GLU A 46 62.152 -21.103 2.987 1.00 0.00 O ATOM 750 CB GLU A 46 59.766 -20.387 0.979 1.00 0.00 C ATOM 751 CG GLU A 46 59.242 -19.803 -0.335 1.00 0.00 C ATOM 752 CD GLU A 46 58.010 -20.588 -0.793 1.00 0.00 C ATOM 753 OE1 GLU A 46 58.190 -21.627 -1.408 1.00 0.00 O ATOM 754 OE2 GLU A 46 56.910 -20.138 -0.521 1.00 0.00 O ATOM 0 H GLU A 46 61.844 -20.887 -0.282 1.00 0.00 H new ATOM 0 HA GLU A 46 60.988 -18.636 1.280 1.00 0.00 H new ATOM 0 HB2 GLU A 46 59.903 -21.464 0.882 1.00 0.00 H new ATOM 0 HB3 GLU A 46 59.039 -20.228 1.776 1.00 0.00 H new ATOM 0 HG2 GLU A 46 58.986 -18.752 -0.201 1.00 0.00 H new ATOM 0 HG3 GLU A 46 60.018 -19.847 -1.099 1.00 0.00 H new ATOM 761 N ILE A 47 61.098 -19.324 3.736 1.00 0.00 N ATOM 762 CA ILE A 47 61.459 -19.646 5.148 1.00 0.00 C ATOM 763 C ILE A 47 60.642 -20.857 5.606 1.00 0.00 C ATOM 764 O ILE A 47 59.435 -20.889 5.480 1.00 0.00 O ATOM 765 CB ILE A 47 61.131 -18.446 6.044 1.00 0.00 C ATOM 766 CG1 ILE A 47 61.796 -17.176 5.492 1.00 0.00 C ATOM 767 CG2 ILE A 47 61.638 -18.706 7.464 1.00 0.00 C ATOM 768 CD1 ILE A 47 63.291 -17.417 5.246 1.00 0.00 C ATOM 0 H ILE A 47 60.542 -18.478 3.612 1.00 0.00 H new ATOM 0 HA ILE A 47 62.524 -19.869 5.215 1.00 0.00 H new ATOM 0 HB ILE A 47 60.050 -18.307 6.061 1.00 0.00 H new ATOM 0 HG12 ILE A 47 61.311 -16.879 4.562 1.00 0.00 H new ATOM 0 HG13 ILE A 47 61.665 -16.354 6.196 1.00 0.00 H new ATOM 0 HG21 ILE A 47 61.402 -17.850 8.097 1.00 0.00 H new ATOM 0 HG22 ILE A 47 61.156 -19.598 7.865 1.00 0.00 H new ATOM 0 HG23 ILE A 47 62.717 -18.856 7.443 1.00 0.00 H new ATOM 0 HD11 ILE A 47 63.747 -16.507 4.855 1.00 0.00 H new ATOM 0 HD12 ILE A 47 63.774 -17.691 6.184 1.00 0.00 H new ATOM 0 HD13 ILE A 47 63.415 -18.224 4.524 1.00 0.00 H new ATOM 780 N LYS A 48 61.297 -21.861 6.132 1.00 0.00 N ATOM 781 CA LYS A 48 60.567 -23.081 6.592 1.00 0.00 C ATOM 782 C LYS A 48 60.255 -22.982 8.089 1.00 0.00 C ATOM 783 O LYS A 48 59.118 -22.806 8.483 1.00 0.00 O ATOM 784 CB LYS A 48 61.445 -24.309 6.337 1.00 0.00 C ATOM 785 CG LYS A 48 61.709 -24.445 4.837 1.00 0.00 C ATOM 786 CD LYS A 48 62.585 -25.671 4.578 1.00 0.00 C ATOM 787 CE LYS A 48 62.846 -25.804 3.076 1.00 0.00 C ATOM 788 NZ LYS A 48 63.535 -27.097 2.802 1.00 0.00 N ATOM 0 H LYS A 48 62.308 -21.888 6.263 1.00 0.00 H new ATOM 0 HA LYS A 48 59.629 -23.167 6.043 1.00 0.00 H new ATOM 0 HB2 LYS A 48 62.388 -24.213 6.876 1.00 0.00 H new ATOM 0 HB3 LYS A 48 60.953 -25.206 6.713 1.00 0.00 H new ATOM 0 HG2 LYS A 48 60.766 -24.540 4.299 1.00 0.00 H new ATOM 0 HG3 LYS A 48 62.202 -23.548 4.462 1.00 0.00 H new ATOM 0 HD2 LYS A 48 63.529 -25.577 5.115 1.00 0.00 H new ATOM 0 HD3 LYS A 48 62.093 -26.568 4.953 1.00 0.00 H new ATOM 0 HE2 LYS A 48 61.905 -25.758 2.527 1.00 0.00 H new ATOM 0 HE3 LYS A 48 63.459 -24.973 2.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 63.712 -27.187 1.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 64.440 -27.123 3.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 62.934 -27.884 3.120 1.00 0.00 H new ATOM 802 N GLU A 49 61.255 -23.115 8.926 1.00 0.00 N ATOM 803 CA GLU A 49 61.036 -23.055 10.409 1.00 0.00 C ATOM 804 C GLU A 49 61.638 -21.768 10.981 1.00 0.00 C ATOM 805 O GLU A 49 62.585 -21.221 10.452 1.00 0.00 O ATOM 806 CB GLU A 49 61.727 -24.254 11.059 1.00 0.00 C ATOM 807 CG GLU A 49 61.077 -25.548 10.569 1.00 0.00 C ATOM 808 CD GLU A 49 61.779 -26.743 11.216 1.00 0.00 C ATOM 809 OE1 GLU A 49 62.713 -26.519 11.968 1.00 0.00 O ATOM 810 OE2 GLU A 49 61.370 -27.861 10.950 1.00 0.00 O ATOM 0 H GLU A 49 62.224 -23.264 8.644 1.00 0.00 H new ATOM 0 HA GLU A 49 59.966 -23.072 10.614 1.00 0.00 H new ATOM 0 HB2 GLU A 49 62.789 -24.252 10.812 1.00 0.00 H new ATOM 0 HB3 GLU A 49 61.652 -24.186 12.144 1.00 0.00 H new ATOM 0 HG2 GLU A 49 60.017 -25.554 10.822 1.00 0.00 H new ATOM 0 HG3 GLU A 49 61.146 -25.615 9.483 1.00 0.00 H new ATOM 817 N GLN A 50 61.097 -21.290 12.070 1.00 0.00 N ATOM 818 CA GLN A 50 61.634 -20.050 12.697 1.00 0.00 C ATOM 819 C GLN A 50 63.100 -20.278 13.081 1.00 0.00 C ATOM 820 O GLN A 50 63.936 -19.408 12.941 1.00 0.00 O ATOM 821 CB GLN A 50 60.809 -19.713 13.945 1.00 0.00 C ATOM 822 CG GLN A 50 61.341 -18.434 14.599 1.00 0.00 C ATOM 823 CD GLN A 50 60.507 -18.108 15.840 1.00 0.00 C ATOM 824 OE1 GLN A 50 59.520 -17.405 15.755 1.00 0.00 O ATOM 825 NE2 GLN A 50 60.865 -18.589 16.998 1.00 0.00 N ATOM 0 H GLN A 50 60.302 -21.708 12.554 1.00 0.00 H new ATOM 0 HA GLN A 50 61.571 -19.219 11.995 1.00 0.00 H new ATOM 0 HB2 GLN A 50 59.761 -19.583 13.674 1.00 0.00 H new ATOM 0 HB3 GLN A 50 60.854 -20.539 14.654 1.00 0.00 H new ATOM 0 HG2 GLN A 50 62.388 -18.563 14.875 1.00 0.00 H new ATOM 0 HG3 GLN A 50 61.298 -17.606 13.891 1.00 0.00 H new ATOM 0 HE21 GLN A 50 61.694 -19.179 17.071 1.00 0.00 H new ATOM 0 HE22 GLN A 50 60.316 -18.375 17.831 1.00 0.00 H new ATOM 834 N GLU A 51 63.413 -21.440 13.581 1.00 0.00 N ATOM 835 CA GLU A 51 64.818 -21.726 13.995 1.00 0.00 C ATOM 836 C GLU A 51 65.778 -21.285 12.890 1.00 0.00 C ATOM 837 O GLU A 51 66.849 -20.775 13.154 1.00 0.00 O ATOM 838 CB GLU A 51 64.982 -23.230 14.238 1.00 0.00 C ATOM 839 CG GLU A 51 66.410 -23.529 14.708 1.00 0.00 C ATOM 840 CD GLU A 51 66.564 -25.030 14.946 1.00 0.00 C ATOM 841 OE1 GLU A 51 65.556 -25.718 14.927 1.00 0.00 O ATOM 842 OE2 GLU A 51 67.685 -25.466 15.148 1.00 0.00 O ATOM 0 H GLU A 51 62.756 -22.207 13.722 1.00 0.00 H new ATOM 0 HA GLU A 51 65.043 -21.180 14.911 1.00 0.00 H new ATOM 0 HB2 GLU A 51 64.265 -23.567 14.987 1.00 0.00 H new ATOM 0 HB3 GLU A 51 64.768 -23.781 13.322 1.00 0.00 H new ATOM 0 HG2 GLU A 51 67.128 -23.193 13.960 1.00 0.00 H new ATOM 0 HG3 GLU A 51 66.625 -22.981 15.625 1.00 0.00 H new ATOM 849 N VAL A 52 65.396 -21.450 11.659 1.00 0.00 N ATOM 850 CA VAL A 52 66.277 -21.015 10.543 1.00 0.00 C ATOM 851 C VAL A 52 66.364 -19.485 10.563 1.00 0.00 C ATOM 852 O VAL A 52 67.386 -18.902 10.261 1.00 0.00 O ATOM 853 CB VAL A 52 65.688 -21.493 9.212 1.00 0.00 C ATOM 854 CG1 VAL A 52 66.462 -20.871 8.046 1.00 0.00 C ATOM 855 CG2 VAL A 52 65.791 -23.019 9.133 1.00 0.00 C ATOM 0 H VAL A 52 64.510 -21.868 11.375 1.00 0.00 H new ATOM 0 HA VAL A 52 67.274 -21.441 10.657 1.00 0.00 H new ATOM 0 HB VAL A 52 64.643 -21.189 9.151 1.00 0.00 H new ATOM 0 HG11 VAL A 52 66.038 -21.215 7.103 1.00 0.00 H new ATOM 0 HG12 VAL A 52 66.391 -19.785 8.101 1.00 0.00 H new ATOM 0 HG13 VAL A 52 67.509 -21.170 8.104 1.00 0.00 H new ATOM 0 HG21 VAL A 52 65.373 -23.363 8.187 1.00 0.00 H new ATOM 0 HG22 VAL A 52 66.838 -23.317 9.197 1.00 0.00 H new ATOM 0 HG23 VAL A 52 65.236 -23.464 9.959 1.00 0.00 H new ATOM 865 N VAL A 53 65.291 -18.838 10.939 1.00 0.00 N ATOM 866 CA VAL A 53 65.297 -17.348 11.008 1.00 0.00 C ATOM 867 C VAL A 53 66.168 -16.893 12.184 1.00 0.00 C ATOM 868 O VAL A 53 66.914 -15.940 12.085 1.00 0.00 O ATOM 869 CB VAL A 53 63.865 -16.831 11.194 1.00 0.00 C ATOM 870 CG1 VAL A 53 63.886 -15.327 11.484 1.00 0.00 C ATOM 871 CG2 VAL A 53 63.060 -17.094 9.921 1.00 0.00 C ATOM 0 H VAL A 53 64.410 -19.279 11.202 1.00 0.00 H new ATOM 0 HA VAL A 53 65.704 -16.946 10.080 1.00 0.00 H new ATOM 0 HB VAL A 53 63.403 -17.350 12.034 1.00 0.00 H new ATOM 0 HG11 VAL A 53 62.865 -14.967 11.615 1.00 0.00 H new ATOM 0 HG12 VAL A 53 64.456 -15.140 12.394 1.00 0.00 H new ATOM 0 HG13 VAL A 53 64.351 -14.802 10.650 1.00 0.00 H new ATOM 0 HG21 VAL A 53 62.042 -16.727 10.052 1.00 0.00 H new ATOM 0 HG22 VAL A 53 63.527 -16.578 9.082 1.00 0.00 H new ATOM 0 HG23 VAL A 53 63.037 -18.165 9.720 1.00 0.00 H new ATOM 881 N ASP A 54 66.066 -17.561 13.302 1.00 0.00 N ATOM 882 CA ASP A 54 66.875 -17.153 14.488 1.00 0.00 C ATOM 883 C ASP A 54 68.361 -17.234 14.145 1.00 0.00 C ATOM 884 O ASP A 54 69.139 -16.374 14.508 1.00 0.00 O ATOM 885 CB ASP A 54 66.566 -18.086 15.662 1.00 0.00 C ATOM 886 CG ASP A 54 65.147 -17.819 16.169 1.00 0.00 C ATOM 887 OD1 ASP A 54 64.640 -16.740 15.909 1.00 0.00 O ATOM 888 OD2 ASP A 54 64.592 -18.699 16.805 1.00 0.00 O ATOM 0 H ASP A 54 65.460 -18.369 13.446 1.00 0.00 H new ATOM 0 HA ASP A 54 66.624 -16.129 14.764 1.00 0.00 H new ATOM 0 HB2 ASP A 54 66.662 -19.126 15.349 1.00 0.00 H new ATOM 0 HB3 ASP A 54 67.286 -17.928 16.465 1.00 0.00 H new ATOM 893 N LYS A 55 68.759 -18.246 13.430 1.00 0.00 N ATOM 894 CA LYS A 55 70.192 -18.357 13.047 1.00 0.00 C ATOM 895 C LYS A 55 70.553 -17.138 12.200 1.00 0.00 C ATOM 896 O LYS A 55 71.535 -16.462 12.436 1.00 0.00 O ATOM 897 CB LYS A 55 70.404 -19.634 12.233 1.00 0.00 C ATOM 898 CG LYS A 55 71.890 -19.794 11.907 1.00 0.00 C ATOM 899 CD LYS A 55 72.095 -21.073 11.093 1.00 0.00 C ATOM 900 CE LYS A 55 73.584 -21.255 10.792 1.00 0.00 C ATOM 901 NZ LYS A 55 74.010 -20.265 9.765 1.00 0.00 N ATOM 0 H LYS A 55 68.157 -18.998 13.095 1.00 0.00 H new ATOM 0 HA LYS A 55 70.822 -18.397 13.935 1.00 0.00 H new ATOM 0 HB2 LYS A 55 70.049 -20.498 12.795 1.00 0.00 H new ATOM 0 HB3 LYS A 55 69.822 -19.591 11.312 1.00 0.00 H new ATOM 0 HG2 LYS A 55 72.246 -18.931 11.345 1.00 0.00 H new ATOM 0 HG3 LYS A 55 72.473 -19.837 12.827 1.00 0.00 H new ATOM 0 HD2 LYS A 55 71.717 -21.933 11.646 1.00 0.00 H new ATOM 0 HD3 LYS A 55 71.529 -21.019 10.163 1.00 0.00 H new ATOM 0 HE2 LYS A 55 74.168 -21.124 11.703 1.00 0.00 H new ATOM 0 HE3 LYS A 55 73.772 -22.268 10.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 74.956 -20.515 9.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 73.334 -20.272 8.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 74.038 -19.316 10.189 1.00 0.00 H new ATOM 915 N VAL A 56 69.747 -16.860 11.213 1.00 0.00 N ATOM 916 CA VAL A 56 70.006 -15.689 10.332 1.00 0.00 C ATOM 917 C VAL A 56 69.972 -14.416 11.174 1.00 0.00 C ATOM 918 O VAL A 56 70.781 -13.526 11.006 1.00 0.00 O ATOM 919 CB VAL A 56 68.925 -15.622 9.246 1.00 0.00 C ATOM 920 CG1 VAL A 56 69.041 -14.306 8.471 1.00 0.00 C ATOM 921 CG2 VAL A 56 69.097 -16.799 8.281 1.00 0.00 C ATOM 0 H VAL A 56 68.914 -17.399 10.978 1.00 0.00 H new ATOM 0 HA VAL A 56 70.983 -15.787 9.860 1.00 0.00 H new ATOM 0 HB VAL A 56 67.943 -15.674 9.717 1.00 0.00 H new ATOM 0 HG11 VAL A 56 68.269 -14.267 7.702 1.00 0.00 H new ATOM 0 HG12 VAL A 56 68.913 -13.468 9.156 1.00 0.00 H new ATOM 0 HG13 VAL A 56 70.023 -14.245 8.003 1.00 0.00 H new ATOM 0 HG21 VAL A 56 68.329 -16.752 7.509 1.00 0.00 H new ATOM 0 HG22 VAL A 56 70.082 -16.748 7.817 1.00 0.00 H new ATOM 0 HG23 VAL A 56 69.003 -17.736 8.830 1.00 0.00 H new ATOM 931 N MET A 57 69.047 -14.326 12.088 1.00 0.00 N ATOM 932 CA MET A 57 68.972 -13.114 12.945 1.00 0.00 C ATOM 933 C MET A 57 70.254 -13.012 13.771 1.00 0.00 C ATOM 934 O MET A 57 70.855 -11.963 13.880 1.00 0.00 O ATOM 935 CB MET A 57 67.759 -13.223 13.876 1.00 0.00 C ATOM 936 CG MET A 57 67.592 -11.924 14.671 1.00 0.00 C ATOM 937 SD MET A 57 67.144 -10.581 13.540 1.00 0.00 S ATOM 938 CE MET A 57 66.025 -9.693 14.652 1.00 0.00 C ATOM 0 H MET A 57 68.342 -15.038 12.277 1.00 0.00 H new ATOM 0 HA MET A 57 68.866 -12.224 12.325 1.00 0.00 H new ATOM 0 HB2 MET A 57 66.859 -13.421 13.293 1.00 0.00 H new ATOM 0 HB3 MET A 57 67.888 -14.063 14.559 1.00 0.00 H new ATOM 0 HG2 MET A 57 66.821 -12.047 15.432 1.00 0.00 H new ATOM 0 HG3 MET A 57 68.518 -11.682 15.192 1.00 0.00 H new ATOM 0 HE1 MET A 57 65.629 -8.814 14.144 1.00 0.00 H new ATOM 0 HE2 MET A 57 65.202 -10.348 14.939 1.00 0.00 H new ATOM 0 HE3 MET A 57 66.569 -9.382 15.544 1.00 0.00 H new ATOM 948 N GLU A 58 70.680 -14.103 14.347 1.00 0.00 N ATOM 949 CA GLU A 58 71.925 -14.078 15.165 1.00 0.00 C ATOM 950 C GLU A 58 73.093 -13.643 14.285 1.00 0.00 C ATOM 951 O GLU A 58 73.859 -12.765 14.630 1.00 0.00 O ATOM 952 CB GLU A 58 72.198 -15.480 15.719 1.00 0.00 C ATOM 953 CG GLU A 58 73.466 -15.460 16.577 1.00 0.00 C ATOM 954 CD GLU A 58 73.699 -16.846 17.177 1.00 0.00 C ATOM 955 OE1 GLU A 58 72.819 -17.682 17.049 1.00 0.00 O ATOM 956 OE2 GLU A 58 74.752 -17.049 17.760 1.00 0.00 O ATOM 0 H GLU A 58 70.219 -15.011 14.286 1.00 0.00 H new ATOM 0 HA GLU A 58 71.808 -13.378 15.992 1.00 0.00 H new ATOM 0 HB2 GLU A 58 71.350 -15.817 16.315 1.00 0.00 H new ATOM 0 HB3 GLU A 58 72.314 -16.189 14.899 1.00 0.00 H new ATOM 0 HG2 GLU A 58 74.323 -15.166 15.971 1.00 0.00 H new ATOM 0 HG3 GLU A 58 73.368 -14.720 17.371 1.00 0.00 H new ATOM 963 N THR A 59 73.228 -14.254 13.146 1.00 0.00 N ATOM 964 CA THR A 59 74.336 -13.889 12.224 1.00 0.00 C ATOM 965 C THR A 59 74.091 -12.491 11.660 1.00 0.00 C ATOM 966 O THR A 59 75.001 -11.702 11.509 1.00 0.00 O ATOM 967 CB THR A 59 74.404 -14.902 11.080 1.00 0.00 C ATOM 968 OG1 THR A 59 74.637 -16.198 11.613 1.00 0.00 O ATOM 969 CG2 THR A 59 75.543 -14.526 10.131 1.00 0.00 C ATOM 0 H THR A 59 72.614 -14.996 12.810 1.00 0.00 H new ATOM 0 HA THR A 59 75.280 -13.897 12.769 1.00 0.00 H new ATOM 0 HB THR A 59 73.462 -14.897 10.532 1.00 0.00 H new ATOM 0 HG1 THR A 59 73.803 -16.554 11.983 1.00 0.00 H new ATOM 0 HG21 THR A 59 75.591 -15.248 9.316 1.00 0.00 H new ATOM 0 HG22 THR A 59 75.364 -13.531 9.724 1.00 0.00 H new ATOM 0 HG23 THR A 59 76.487 -14.531 10.676 1.00 0.00 H new ATOM 977 N LEU A 60 72.866 -12.183 11.337 1.00 0.00 N ATOM 978 CA LEU A 60 72.561 -10.841 10.770 1.00 0.00 C ATOM 979 C LEU A 60 72.729 -9.775 11.857 1.00 0.00 C ATOM 980 O LEU A 60 73.226 -8.694 11.607 1.00 0.00 O ATOM 981 CB LEU A 60 71.118 -10.834 10.250 1.00 0.00 C ATOM 982 CG LEU A 60 70.766 -9.464 9.653 1.00 0.00 C ATOM 983 CD1 LEU A 60 71.698 -9.156 8.467 1.00 0.00 C ATOM 984 CD2 LEU A 60 69.310 -9.492 9.170 1.00 0.00 C ATOM 0 H LEU A 60 72.063 -12.803 11.441 1.00 0.00 H new ATOM 0 HA LEU A 60 73.244 -10.622 9.950 1.00 0.00 H new ATOM 0 HB2 LEU A 60 70.994 -11.609 9.494 1.00 0.00 H new ATOM 0 HB3 LEU A 60 70.431 -11.070 11.063 1.00 0.00 H new ATOM 0 HG LEU A 60 70.890 -8.691 10.411 1.00 0.00 H new ATOM 0 HD11 LEU A 60 71.443 -8.183 8.047 1.00 0.00 H new ATOM 0 HD12 LEU A 60 72.732 -9.144 8.811 1.00 0.00 H new ATOM 0 HD13 LEU A 60 71.579 -9.923 7.702 1.00 0.00 H new ATOM 0 HD21 LEU A 60 69.049 -8.523 8.744 1.00 0.00 H new ATOM 0 HD22 LEU A 60 69.193 -10.266 8.411 1.00 0.00 H new ATOM 0 HD23 LEU A 60 68.652 -9.707 10.012 1.00 0.00 H new ATOM 996 N ASP A 61 72.308 -10.064 13.059 1.00 0.00 N ATOM 997 CA ASP A 61 72.431 -9.063 14.159 1.00 0.00 C ATOM 998 C ASP A 61 73.911 -8.825 14.474 1.00 0.00 C ATOM 999 O ASP A 61 74.559 -9.630 15.114 1.00 0.00 O ATOM 1000 CB ASP A 61 71.722 -9.597 15.407 1.00 0.00 C ATOM 1001 CG ASP A 61 71.563 -8.472 16.427 1.00 0.00 C ATOM 1002 OD1 ASP A 61 72.158 -7.428 16.225 1.00 0.00 O ATOM 1003 OD2 ASP A 61 70.846 -8.673 17.392 1.00 0.00 O ATOM 0 H ASP A 61 71.883 -10.952 13.327 1.00 0.00 H new ATOM 0 HA ASP A 61 71.973 -8.123 13.851 1.00 0.00 H new ATOM 0 HB2 ASP A 61 70.745 -9.999 15.139 1.00 0.00 H new ATOM 0 HB3 ASP A 61 72.295 -10.416 15.841 1.00 0.00 H new ATOM 1008 N GLU A 62 74.452 -7.732 14.011 1.00 0.00 N ATOM 1009 CA GLU A 62 75.894 -7.447 14.263 1.00 0.00 C ATOM 1010 C GLU A 62 76.160 -7.294 15.764 1.00 0.00 C ATOM 1011 O GLU A 62 77.164 -7.755 16.270 1.00 0.00 O ATOM 1012 CB GLU A 62 76.284 -6.149 13.552 1.00 0.00 C ATOM 1013 CG GLU A 62 76.288 -6.372 12.039 1.00 0.00 C ATOM 1014 CD GLU A 62 76.679 -5.072 11.335 1.00 0.00 C ATOM 1015 OE1 GLU A 62 76.748 -4.056 12.006 1.00 0.00 O ATOM 1016 OE2 GLU A 62 76.905 -5.115 10.137 1.00 0.00 O ATOM 0 H GLU A 62 73.958 -7.023 13.469 1.00 0.00 H new ATOM 0 HA GLU A 62 76.486 -8.279 13.882 1.00 0.00 H new ATOM 0 HB2 GLU A 62 75.582 -5.356 13.811 1.00 0.00 H new ATOM 0 HB3 GLU A 62 77.270 -5.823 13.884 1.00 0.00 H new ATOM 0 HG2 GLU A 62 76.990 -7.165 11.779 1.00 0.00 H new ATOM 0 HG3 GLU A 62 75.302 -6.697 11.706 1.00 0.00 H new ATOM 1023 N ASP A 63 75.282 -6.636 16.479 1.00 0.00 N ATOM 1024 CA ASP A 63 75.498 -6.435 17.949 1.00 0.00 C ATOM 1025 C ASP A 63 74.712 -7.468 18.763 1.00 0.00 C ATOM 1026 O ASP A 63 74.804 -7.508 19.974 1.00 0.00 O ATOM 1027 CB ASP A 63 75.057 -5.020 18.337 1.00 0.00 C ATOM 1028 CG ASP A 63 73.645 -4.749 17.814 1.00 0.00 C ATOM 1029 OD1 ASP A 63 73.226 -5.448 16.909 1.00 0.00 O ATOM 1030 OD2 ASP A 63 73.014 -3.837 18.321 1.00 0.00 O ATOM 0 H ASP A 63 74.423 -6.228 16.110 1.00 0.00 H new ATOM 0 HA ASP A 63 76.558 -6.564 18.169 1.00 0.00 H new ATOM 0 HB2 ASP A 63 75.080 -4.908 19.421 1.00 0.00 H new ATOM 0 HB3 ASP A 63 75.752 -4.288 17.926 1.00 0.00 H new ATOM 1035 N GLY A 64 73.949 -8.312 18.122 1.00 0.00 N ATOM 1036 CA GLY A 64 73.182 -9.341 18.884 1.00 0.00 C ATOM 1037 C GLY A 64 72.119 -8.666 19.757 1.00 0.00 C ATOM 1038 O GLY A 64 71.743 -9.176 20.794 1.00 0.00 O ATOM 0 H GLY A 64 73.823 -8.334 17.110 1.00 0.00 H new ATOM 0 HA2 GLY A 64 72.707 -10.038 18.193 1.00 0.00 H new ATOM 0 HA3 GLY A 64 73.860 -9.923 19.508 1.00 0.00 H new ATOM 1042 N ASP A 65 71.641 -7.520 19.357 1.00 0.00 N ATOM 1043 CA ASP A 65 70.614 -6.810 20.175 1.00 0.00 C ATOM 1044 C ASP A 65 69.260 -7.515 20.059 1.00 0.00 C ATOM 1045 O ASP A 65 68.312 -7.160 20.731 1.00 0.00 O ATOM 1046 CB ASP A 65 70.472 -5.375 19.669 1.00 0.00 C ATOM 1047 CG ASP A 65 69.939 -5.393 18.236 1.00 0.00 C ATOM 1048 OD1 ASP A 65 70.054 -6.425 17.595 1.00 0.00 O ATOM 1049 OD2 ASP A 65 69.420 -4.377 17.804 1.00 0.00 O ATOM 0 H ASP A 65 71.917 -7.043 18.499 1.00 0.00 H new ATOM 0 HA ASP A 65 70.930 -6.813 21.218 1.00 0.00 H new ATOM 0 HB2 ASP A 65 69.794 -4.816 20.314 1.00 0.00 H new ATOM 0 HB3 ASP A 65 71.436 -4.868 19.704 1.00 0.00 H new ATOM 1054 N GLY A 66 69.154 -8.514 19.225 1.00 0.00 N ATOM 1055 CA GLY A 66 67.852 -9.231 19.090 1.00 0.00 C ATOM 1056 C GLY A 66 66.853 -8.355 18.329 1.00 0.00 C ATOM 1057 O GLY A 66 65.655 -8.505 18.461 1.00 0.00 O ATOM 0 H GLY A 66 69.908 -8.864 18.634 1.00 0.00 H new ATOM 0 HA2 GLY A 66 67.999 -10.173 18.562 1.00 0.00 H new ATOM 0 HA3 GLY A 66 67.457 -9.476 20.076 1.00 0.00 H new ATOM 1061 N GLU A 67 67.337 -7.438 17.539 1.00 0.00 N ATOM 1062 CA GLU A 67 66.429 -6.545 16.766 1.00 0.00 C ATOM 1063 C GLU A 67 67.214 -6.010 15.570 1.00 0.00 C ATOM 1064 O GLU A 67 68.429 -5.998 15.596 1.00 0.00 O ATOM 1065 CB GLU A 67 65.985 -5.385 17.669 1.00 0.00 C ATOM 1066 CG GLU A 67 64.917 -4.534 16.966 1.00 0.00 C ATOM 1067 CD GLU A 67 65.572 -3.560 15.978 1.00 0.00 C ATOM 1068 OE1 GLU A 67 66.750 -3.284 16.131 1.00 0.00 O ATOM 1069 OE2 GLU A 67 64.877 -3.105 15.084 1.00 0.00 O ATOM 0 H GLU A 67 68.332 -7.267 17.394 1.00 0.00 H new ATOM 0 HA GLU A 67 65.545 -7.082 16.423 1.00 0.00 H new ATOM 0 HB2 GLU A 67 65.588 -5.777 18.605 1.00 0.00 H new ATOM 0 HB3 GLU A 67 66.844 -4.764 17.922 1.00 0.00 H new ATOM 0 HG2 GLU A 67 64.217 -5.181 16.438 1.00 0.00 H new ATOM 0 HG3 GLU A 67 64.341 -3.978 17.706 1.00 0.00 H new ATOM 1076 N CYS A 68 66.557 -5.565 14.524 1.00 0.00 N ATOM 1077 CA CYS A 68 67.307 -5.028 13.337 1.00 0.00 C ATOM 1078 C CYS A 68 67.027 -3.530 13.194 1.00 0.00 C ATOM 1079 O CYS A 68 65.958 -3.115 12.784 1.00 0.00 O ATOM 1080 CB CYS A 68 66.852 -5.762 12.075 1.00 0.00 C ATOM 1081 SG CYS A 68 67.474 -7.462 12.113 1.00 0.00 S ATOM 0 H CYS A 68 65.541 -5.549 14.439 1.00 0.00 H new ATOM 0 HA CYS A 68 68.377 -5.183 13.478 1.00 0.00 H new ATOM 0 HB2 CYS A 68 65.764 -5.762 12.013 1.00 0.00 H new ATOM 0 HB3 CYS A 68 67.222 -5.247 11.188 1.00 0.00 H new ATOM 0 HG CYS A 68 67.272 -8.024 10.958 1.00 0.00 H new ATOM 1087 N ASP A 69 67.981 -2.719 13.569 1.00 0.00 N ATOM 1088 CA ASP A 69 67.800 -1.239 13.505 1.00 0.00 C ATOM 1089 C ASP A 69 67.812 -0.739 12.059 1.00 0.00 C ATOM 1090 O ASP A 69 68.045 -1.475 11.121 1.00 0.00 O ATOM 1091 CB ASP A 69 68.933 -0.559 14.277 1.00 0.00 C ATOM 1092 CG ASP A 69 68.581 0.910 14.514 1.00 0.00 C ATOM 1093 OD1 ASP A 69 68.873 1.716 13.645 1.00 0.00 O ATOM 1094 OD2 ASP A 69 68.026 1.206 15.558 1.00 0.00 O ATOM 0 H ASP A 69 68.889 -3.023 13.921 1.00 0.00 H new ATOM 0 HA ASP A 69 66.834 -0.994 13.947 1.00 0.00 H new ATOM 0 HB2 ASP A 69 69.092 -1.064 15.230 1.00 0.00 H new ATOM 0 HB3 ASP A 69 69.865 -0.635 13.717 1.00 0.00 H new ATOM 1099 N PHE A 70 67.572 0.532 11.898 1.00 0.00 N ATOM 1100 CA PHE A 70 67.575 1.143 10.539 1.00 0.00 C ATOM 1101 C PHE A 70 68.964 0.971 9.914 1.00 0.00 C ATOM 1102 O PHE A 70 69.105 0.624 8.760 1.00 0.00 O ATOM 1103 CB PHE A 70 67.241 2.633 10.636 1.00 0.00 C ATOM 1104 CG PHE A 70 67.166 3.215 9.245 1.00 0.00 C ATOM 1105 CD1 PHE A 70 68.312 3.747 8.642 1.00 0.00 C ATOM 1106 CD2 PHE A 70 65.947 3.217 8.557 1.00 0.00 C ATOM 1107 CE1 PHE A 70 68.237 4.282 7.350 1.00 0.00 C ATOM 1108 CE2 PHE A 70 65.872 3.752 7.266 1.00 0.00 C ATOM 1109 CZ PHE A 70 67.018 4.284 6.662 1.00 0.00 C ATOM 0 H PHE A 70 67.372 1.181 12.659 1.00 0.00 H new ATOM 0 HA PHE A 70 66.826 0.650 9.919 1.00 0.00 H new ATOM 0 HB2 PHE A 70 66.292 2.772 11.153 1.00 0.00 H new ATOM 0 HB3 PHE A 70 68.002 3.151 11.220 1.00 0.00 H new ATOM 0 HD1 PHE A 70 69.253 3.745 9.173 1.00 0.00 H new ATOM 0 HD2 PHE A 70 65.064 2.805 9.023 1.00 0.00 H new ATOM 0 HE1 PHE A 70 69.120 4.693 6.884 1.00 0.00 H new ATOM 0 HE2 PHE A 70 64.931 3.755 6.736 1.00 0.00 H new ATOM 0 HZ PHE A 70 66.961 4.696 5.665 1.00 0.00 H new ATOM 1119 N GLN A 71 69.991 1.246 10.668 1.00 0.00 N ATOM 1120 CA GLN A 71 71.366 1.131 10.105 1.00 0.00 C ATOM 1121 C GLN A 71 71.601 -0.313 9.646 1.00 0.00 C ATOM 1122 O GLN A 71 71.947 -0.556 8.506 1.00 0.00 O ATOM 1123 CB GLN A 71 72.397 1.511 11.170 1.00 0.00 C ATOM 1124 CG GLN A 71 72.159 2.953 11.627 1.00 0.00 C ATOM 1125 CD GLN A 71 72.534 3.918 10.500 1.00 0.00 C ATOM 1126 OE1 GLN A 71 73.516 3.718 9.814 1.00 0.00 O ATOM 1127 NE2 GLN A 71 71.791 4.970 10.285 1.00 0.00 N ATOM 0 H GLN A 71 69.940 1.543 11.642 1.00 0.00 H new ATOM 0 HA GLN A 71 71.471 1.807 9.256 1.00 0.00 H new ATOM 0 HB2 GLN A 71 72.323 0.833 12.020 1.00 0.00 H new ATOM 0 HB3 GLN A 71 73.405 1.408 10.767 1.00 0.00 H new ATOM 0 HG2 GLN A 71 71.113 3.090 11.903 1.00 0.00 H new ATOM 0 HG3 GLN A 71 72.754 3.166 12.515 1.00 0.00 H new ATOM 0 HE21 GLN A 71 70.966 5.138 10.861 1.00 0.00 H new ATOM 0 HE22 GLN A 71 72.035 5.624 9.541 1.00 0.00 H new ATOM 1136 N GLU A 72 71.422 -1.278 10.511 1.00 0.00 N ATOM 1137 CA GLU A 72 71.645 -2.696 10.086 1.00 0.00 C ATOM 1138 C GLU A 72 70.691 -3.016 8.937 1.00 0.00 C ATOM 1139 O GLU A 72 71.051 -3.658 7.971 1.00 0.00 O ATOM 1140 CB GLU A 72 71.359 -3.641 11.257 1.00 0.00 C ATOM 1141 CG GLU A 72 72.444 -3.486 12.326 1.00 0.00 C ATOM 1142 CD GLU A 72 72.147 -4.435 13.488 1.00 0.00 C ATOM 1143 OE1 GLU A 72 71.066 -5.001 13.505 1.00 0.00 O ATOM 1144 OE2 GLU A 72 73.005 -4.579 14.343 1.00 0.00 O ATOM 0 H GLU A 72 71.135 -1.150 11.481 1.00 0.00 H new ATOM 0 HA GLU A 72 72.679 -2.826 9.767 1.00 0.00 H new ATOM 0 HB2 GLU A 72 70.381 -3.420 11.684 1.00 0.00 H new ATOM 0 HB3 GLU A 72 71.327 -4.672 10.905 1.00 0.00 H new ATOM 0 HG2 GLU A 72 73.423 -3.707 11.902 1.00 0.00 H new ATOM 0 HG3 GLU A 72 72.476 -2.456 12.681 1.00 0.00 H new ATOM 1151 N PHE A 73 69.470 -2.572 9.052 1.00 0.00 N ATOM 1152 CA PHE A 73 68.475 -2.850 7.976 1.00 0.00 C ATOM 1153 C PHE A 73 69.127 -2.540 6.626 1.00 0.00 C ATOM 1154 O PHE A 73 68.956 -3.255 5.659 1.00 0.00 O ATOM 1155 CB PHE A 73 67.222 -1.992 8.152 1.00 0.00 C ATOM 1156 CG PHE A 73 66.308 -2.228 6.975 1.00 0.00 C ATOM 1157 CD1 PHE A 73 65.385 -3.278 7.003 1.00 0.00 C ATOM 1158 CD2 PHE A 73 66.399 -1.406 5.847 1.00 0.00 C ATOM 1159 CE1 PHE A 73 64.549 -3.505 5.906 1.00 0.00 C ATOM 1160 CE2 PHE A 73 65.564 -1.632 4.747 1.00 0.00 C ATOM 1161 CZ PHE A 73 64.637 -2.682 4.776 1.00 0.00 C ATOM 0 H PHE A 73 69.118 -2.030 9.841 1.00 0.00 H new ATOM 0 HA PHE A 73 68.174 -3.896 8.026 1.00 0.00 H new ATOM 0 HB2 PHE A 73 66.715 -2.249 9.082 1.00 0.00 H new ATOM 0 HB3 PHE A 73 67.491 -0.938 8.216 1.00 0.00 H new ATOM 0 HD1 PHE A 73 65.318 -3.914 7.873 1.00 0.00 H new ATOM 0 HD2 PHE A 73 67.114 -0.597 5.825 1.00 0.00 H new ATOM 0 HE1 PHE A 73 63.835 -4.315 5.930 1.00 0.00 H new ATOM 0 HE2 PHE A 73 65.634 -0.997 3.876 1.00 0.00 H new ATOM 0 HZ PHE A 73 63.991 -2.857 3.928 1.00 0.00 H new ATOM 1171 N MET A 74 69.901 -1.492 6.570 1.00 0.00 N ATOM 1172 CA MET A 74 70.597 -1.146 5.302 1.00 0.00 C ATOM 1173 C MET A 74 71.644 -2.228 5.007 1.00 0.00 C ATOM 1174 O MET A 74 71.919 -2.550 3.870 1.00 0.00 O ATOM 1175 CB MET A 74 71.283 0.212 5.441 1.00 0.00 C ATOM 1176 CG MET A 74 71.757 0.683 4.066 1.00 0.00 C ATOM 1177 SD MET A 74 70.318 1.117 3.054 1.00 0.00 S ATOM 1178 CE MET A 74 71.220 1.817 1.651 1.00 0.00 C ATOM 0 H MET A 74 70.081 -0.860 7.350 1.00 0.00 H new ATOM 0 HA MET A 74 69.876 -1.093 4.486 1.00 0.00 H new ATOM 0 HB2 MET A 74 70.592 0.939 5.869 1.00 0.00 H new ATOM 0 HB3 MET A 74 72.129 0.136 6.124 1.00 0.00 H new ATOM 0 HG2 MET A 74 72.416 1.545 4.171 1.00 0.00 H new ATOM 0 HG3 MET A 74 72.335 -0.102 3.579 1.00 0.00 H new ATOM 0 HE1 MET A 74 70.511 2.154 0.894 1.00 0.00 H new ATOM 0 HE2 MET A 74 71.819 2.662 1.989 1.00 0.00 H new ATOM 0 HE3 MET A 74 71.874 1.057 1.223 1.00 0.00 H new ATOM 1188 N ALA A 75 72.220 -2.806 6.028 1.00 0.00 N ATOM 1189 CA ALA A 75 73.225 -3.883 5.791 1.00 0.00 C ATOM 1190 C ALA A 75 72.514 -5.034 5.076 1.00 0.00 C ATOM 1191 O ALA A 75 72.917 -5.480 4.022 1.00 0.00 O ATOM 1192 CB ALA A 75 73.789 -4.373 7.128 1.00 0.00 C ATOM 0 H ALA A 75 72.040 -2.582 7.007 1.00 0.00 H new ATOM 0 HA ALA A 75 74.050 -3.508 5.186 1.00 0.00 H new ATOM 0 HB1 ALA A 75 74.522 -5.159 6.947 1.00 0.00 H new ATOM 0 HB2 ALA A 75 74.268 -3.543 7.647 1.00 0.00 H new ATOM 0 HB3 ALA A 75 72.979 -4.766 7.742 1.00 0.00 H new ATOM 1198 N PHE A 76 71.454 -5.512 5.663 1.00 0.00 N ATOM 1199 CA PHE A 76 70.695 -6.637 5.045 1.00 0.00 C ATOM 1200 C PHE A 76 70.371 -6.251 3.603 1.00 0.00 C ATOM 1201 O PHE A 76 70.477 -7.044 2.689 1.00 0.00 O ATOM 1202 CB PHE A 76 69.393 -6.860 5.820 1.00 0.00 C ATOM 1203 CG PHE A 76 68.620 -7.998 5.198 1.00 0.00 C ATOM 1204 CD1 PHE A 76 68.842 -9.312 5.628 1.00 0.00 C ATOM 1205 CD2 PHE A 76 67.676 -7.741 4.197 1.00 0.00 C ATOM 1206 CE1 PHE A 76 68.122 -10.368 5.058 1.00 0.00 C ATOM 1207 CE2 PHE A 76 66.955 -8.797 3.625 1.00 0.00 C ATOM 1208 CZ PHE A 76 67.179 -10.111 4.057 1.00 0.00 C ATOM 0 H PHE A 76 71.078 -5.172 6.548 1.00 0.00 H new ATOM 0 HA PHE A 76 71.284 -7.554 5.070 1.00 0.00 H new ATOM 0 HB2 PHE A 76 69.613 -7.085 6.864 1.00 0.00 H new ATOM 0 HB3 PHE A 76 68.792 -5.951 5.810 1.00 0.00 H new ATOM 0 HD1 PHE A 76 69.570 -9.511 6.401 1.00 0.00 H new ATOM 0 HD2 PHE A 76 67.503 -6.728 3.865 1.00 0.00 H new ATOM 0 HE1 PHE A 76 68.294 -11.381 5.391 1.00 0.00 H new ATOM 0 HE2 PHE A 76 66.227 -8.599 2.852 1.00 0.00 H new ATOM 0 HZ PHE A 76 66.623 -10.926 3.617 1.00 0.00 H new ATOM 1218 N VAL A 77 70.023 -5.017 3.399 1.00 0.00 N ATOM 1219 CA VAL A 77 69.744 -4.562 2.013 1.00 0.00 C ATOM 1220 C VAL A 77 71.032 -4.760 1.203 1.00 0.00 C ATOM 1221 O VAL A 77 71.007 -5.195 0.069 1.00 0.00 O ATOM 1222 CB VAL A 77 69.322 -3.089 2.004 1.00 0.00 C ATOM 1223 CG1 VAL A 77 69.281 -2.575 0.562 1.00 0.00 C ATOM 1224 CG2 VAL A 77 67.931 -2.961 2.626 1.00 0.00 C ATOM 0 H VAL A 77 69.920 -4.307 4.124 1.00 0.00 H new ATOM 0 HA VAL A 77 68.925 -5.135 1.578 1.00 0.00 H new ATOM 0 HB VAL A 77 70.039 -2.501 2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 77 68.981 -1.527 0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 77 70.270 -2.671 0.113 1.00 0.00 H new ATOM 0 HG13 VAL A 77 68.563 -3.161 -0.013 1.00 0.00 H new ATOM 0 HG21 VAL A 77 67.626 -1.915 2.622 1.00 0.00 H new ATOM 0 HG22 VAL A 77 67.218 -3.549 2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 77 67.956 -3.328 3.652 1.00 0.00 H new ATOM 1234 N SER A 78 72.160 -4.446 1.792 1.00 0.00 N ATOM 1235 CA SER A 78 73.460 -4.616 1.075 1.00 0.00 C ATOM 1236 C SER A 78 73.805 -6.103 0.945 1.00 0.00 C ATOM 1237 O SER A 78 74.185 -6.571 -0.110 1.00 0.00 O ATOM 1238 CB SER A 78 74.568 -3.919 1.864 1.00 0.00 C ATOM 1239 OG SER A 78 74.897 -4.703 3.004 1.00 0.00 O ATOM 0 H SER A 78 72.235 -4.079 2.741 1.00 0.00 H new ATOM 0 HA SER A 78 73.372 -4.179 0.080 1.00 0.00 H new ATOM 0 HB2 SER A 78 75.448 -3.783 1.235 1.00 0.00 H new ATOM 0 HB3 SER A 78 74.241 -2.926 2.173 1.00 0.00 H new ATOM 0 HG SER A 78 74.075 -4.972 3.464 1.00 0.00 H new ATOM 1245 N MET A 79 73.707 -6.843 2.015 1.00 0.00 N ATOM 1246 CA MET A 79 74.066 -8.290 1.954 1.00 0.00 C ATOM 1247 C MET A 79 73.338 -8.937 0.782 1.00 0.00 C ATOM 1248 O MET A 79 73.892 -9.737 0.055 1.00 0.00 O ATOM 1249 CB MET A 79 73.653 -8.973 3.261 1.00 0.00 C ATOM 1250 CG MET A 79 74.139 -10.424 3.261 1.00 0.00 C ATOM 1251 SD MET A 79 73.786 -11.173 4.871 1.00 0.00 S ATOM 1252 CE MET A 79 74.314 -12.856 4.465 1.00 0.00 C ATOM 0 H MET A 79 73.395 -6.510 2.927 1.00 0.00 H new ATOM 0 HA MET A 79 75.142 -8.398 1.818 1.00 0.00 H new ATOM 0 HB2 MET A 79 74.076 -8.438 4.111 1.00 0.00 H new ATOM 0 HB3 MET A 79 72.569 -8.942 3.372 1.00 0.00 H new ATOM 0 HG2 MET A 79 73.643 -10.986 2.469 1.00 0.00 H new ATOM 0 HG3 MET A 79 75.209 -10.461 3.056 1.00 0.00 H new ATOM 0 HE1 MET A 79 74.179 -13.499 5.335 1.00 0.00 H new ATOM 0 HE2 MET A 79 73.715 -13.235 3.637 1.00 0.00 H new ATOM 0 HE3 MET A 79 75.366 -12.848 4.179 1.00 0.00 H new ATOM 1262 N VAL A 80 72.112 -8.571 0.573 1.00 0.00 N ATOM 1263 CA VAL A 80 71.357 -9.134 -0.574 1.00 0.00 C ATOM 1264 C VAL A 80 71.990 -8.602 -1.864 1.00 0.00 C ATOM 1265 O VAL A 80 71.959 -9.241 -2.898 1.00 0.00 O ATOM 1266 CB VAL A 80 69.890 -8.706 -0.476 1.00 0.00 C ATOM 1267 CG1 VAL A 80 69.109 -9.235 -1.683 1.00 0.00 C ATOM 1268 CG2 VAL A 80 69.285 -9.282 0.806 1.00 0.00 C ATOM 0 H VAL A 80 71.597 -7.904 1.148 1.00 0.00 H new ATOM 0 HA VAL A 80 71.396 -10.223 -0.569 1.00 0.00 H new ATOM 0 HB VAL A 80 69.833 -7.618 -0.461 1.00 0.00 H new ATOM 0 HG11 VAL A 80 68.067 -8.926 -1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 80 69.540 -8.832 -2.600 1.00 0.00 H new ATOM 0 HG13 VAL A 80 69.164 -10.323 -1.704 1.00 0.00 H new ATOM 0 HG21 VAL A 80 68.240 -8.981 0.882 1.00 0.00 H new ATOM 0 HG22 VAL A 80 69.348 -10.370 0.781 1.00 0.00 H new ATOM 0 HG23 VAL A 80 69.835 -8.906 1.669 1.00 0.00 H new ATOM 1278 N THR A 81 72.588 -7.440 -1.793 1.00 0.00 N ATOM 1279 CA THR A 81 73.258 -6.858 -2.994 1.00 0.00 C ATOM 1280 C THR A 81 74.628 -7.522 -3.175 1.00 0.00 C ATOM 1281 O THR A 81 74.995 -7.938 -4.255 1.00 0.00 O ATOM 1282 CB THR A 81 73.449 -5.350 -2.797 1.00 0.00 C ATOM 1283 OG1 THR A 81 72.218 -4.766 -2.399 1.00 0.00 O ATOM 1284 CG2 THR A 81 73.916 -4.715 -4.107 1.00 0.00 C ATOM 0 H THR A 81 72.641 -6.867 -0.951 1.00 0.00 H new ATOM 0 HA THR A 81 72.642 -7.032 -3.876 1.00 0.00 H new ATOM 0 HB THR A 81 74.200 -5.178 -2.026 1.00 0.00 H new ATOM 0 HG1 THR A 81 72.032 -4.999 -1.465 1.00 0.00 H new ATOM 0 HG21 THR A 81 74.051 -3.643 -3.964 1.00 0.00 H new ATOM 0 HG22 THR A 81 74.862 -5.162 -4.411 1.00 0.00 H new ATOM 0 HG23 THR A 81 73.168 -4.886 -4.881 1.00 0.00 H new ATOM 1292 N THR A 82 75.382 -7.618 -2.113 1.00 0.00 N ATOM 1293 CA THR A 82 76.728 -8.245 -2.186 1.00 0.00 C ATOM 1294 C THR A 82 76.576 -9.749 -2.415 1.00 0.00 C ATOM 1295 O THR A 82 77.516 -10.430 -2.771 1.00 0.00 O ATOM 1296 CB THR A 82 77.468 -8.003 -0.868 1.00 0.00 C ATOM 1297 OG1 THR A 82 76.829 -8.731 0.171 1.00 0.00 O ATOM 1298 CG2 THR A 82 77.459 -6.510 -0.528 1.00 0.00 C ATOM 0 H THR A 82 75.116 -7.283 -1.187 1.00 0.00 H new ATOM 0 HA THR A 82 77.293 -7.808 -3.009 1.00 0.00 H new ATOM 0 HB THR A 82 78.500 -8.338 -0.970 1.00 0.00 H new ATOM 0 HG1 THR A 82 75.894 -8.895 -0.072 1.00 0.00 H new ATOM 0 HG21 THR A 82 77.988 -6.348 0.411 1.00 0.00 H new ATOM 0 HG22 THR A 82 77.953 -5.953 -1.324 1.00 0.00 H new ATOM 0 HG23 THR A 82 76.430 -6.166 -0.429 1.00 0.00 H new ATOM 1306 N ALA A 83 75.393 -10.268 -2.233 1.00 0.00 N ATOM 1307 CA ALA A 83 75.178 -11.723 -2.459 1.00 0.00 C ATOM 1308 C ALA A 83 75.153 -11.994 -3.966 1.00 0.00 C ATOM 1309 O ALA A 83 75.793 -12.902 -4.459 1.00 0.00 O ATOM 1310 CB ALA A 83 73.843 -12.138 -1.840 1.00 0.00 C ATOM 0 H ALA A 83 74.567 -9.747 -1.938 1.00 0.00 H new ATOM 0 HA ALA A 83 75.983 -12.295 -1.997 1.00 0.00 H new ATOM 0 HB1 ALA A 83 73.682 -13.204 -2.003 1.00 0.00 H new ATOM 0 HB2 ALA A 83 73.859 -11.933 -0.769 1.00 0.00 H new ATOM 0 HB3 ALA A 83 73.035 -11.573 -2.305 1.00 0.00 H new ATOM 1316 N CYS A 84 74.416 -11.203 -4.697 1.00 0.00 N ATOM 1317 CA CYS A 84 74.337 -11.394 -6.173 1.00 0.00 C ATOM 1318 C CYS A 84 75.601 -10.831 -6.825 1.00 0.00 C ATOM 1319 O CYS A 84 76.104 -9.797 -6.432 1.00 0.00 O ATOM 1320 CB CYS A 84 73.110 -10.660 -6.716 1.00 0.00 C ATOM 1321 SG CYS A 84 73.067 -10.805 -8.519 1.00 0.00 S ATOM 0 H CYS A 84 73.862 -10.428 -4.333 1.00 0.00 H new ATOM 0 HA CYS A 84 74.253 -12.457 -6.401 1.00 0.00 H new ATOM 0 HB2 CYS A 84 72.201 -11.081 -6.285 1.00 0.00 H new ATOM 0 HB3 CYS A 84 73.144 -9.610 -6.426 1.00 0.00 H new ATOM 0 HG CYS A 84 72.023 -10.183 -8.980 1.00 0.00 H new ATOM 1450 N SER B 1 59.527 -6.896 -8.444 1.00 0.00 N ATOM 1451 CA SER B 1 58.949 -5.941 -7.456 1.00 0.00 C ATOM 1452 C SER B 1 59.602 -4.569 -7.622 1.00 0.00 C ATOM 1453 O SER B 1 60.662 -4.439 -8.199 1.00 0.00 O ATOM 1454 CB SER B 1 59.213 -6.447 -6.040 1.00 0.00 C ATOM 1455 OG SER B 1 58.834 -5.444 -5.107 1.00 0.00 O ATOM 0 H1 SER B 1 58.807 -7.138 -9.155 1.00 0.00 H new ATOM 0 H2 SER B 1 60.344 -6.457 -8.914 1.00 0.00 H new ATOM 0 H3 SER B 1 59.834 -7.760 -7.953 1.00 0.00 H new ATOM 0 HA SER B 1 57.875 -5.860 -7.626 1.00 0.00 H new ATOM 0 HB2 SER B 1 58.650 -7.362 -5.857 1.00 0.00 H new ATOM 0 HB3 SER B 1 60.268 -6.693 -5.920 1.00 0.00 H new ATOM 0 HG SER B 1 59.000 -5.765 -4.196 1.00 0.00 H new ATOM 1463 N GLU B 2 58.969 -3.542 -7.127 1.00 0.00 N ATOM 1464 CA GLU B 2 59.539 -2.172 -7.253 1.00 0.00 C ATOM 1465 C GLU B 2 60.864 -2.088 -6.489 1.00 0.00 C ATOM 1466 O GLU B 2 61.767 -1.374 -6.876 1.00 0.00 O ATOM 1467 CB GLU B 2 58.542 -1.166 -6.673 1.00 0.00 C ATOM 1468 CG GLU B 2 57.315 -1.085 -7.584 1.00 0.00 C ATOM 1469 CD GLU B 2 57.693 -0.399 -8.898 1.00 0.00 C ATOM 1470 OE1 GLU B 2 58.562 0.457 -8.869 1.00 0.00 O ATOM 1471 OE2 GLU B 2 57.108 -0.743 -9.913 1.00 0.00 O ATOM 0 H GLU B 2 58.076 -3.594 -6.638 1.00 0.00 H new ATOM 0 HA GLU B 2 59.724 -1.945 -8.303 1.00 0.00 H new ATOM 0 HB2 GLU B 2 58.244 -1.469 -5.669 1.00 0.00 H new ATOM 0 HB3 GLU B 2 59.008 -0.185 -6.584 1.00 0.00 H new ATOM 0 HG2 GLU B 2 56.931 -2.086 -7.782 1.00 0.00 H new ATOM 0 HG3 GLU B 2 56.518 -0.530 -7.089 1.00 0.00 H new ATOM 1478 N LEU B 3 60.995 -2.818 -5.413 1.00 0.00 N ATOM 1479 CA LEU B 3 62.260 -2.794 -4.624 1.00 0.00 C ATOM 1480 C LEU B 3 63.386 -3.476 -5.406 1.00 0.00 C ATOM 1481 O LEU B 3 64.529 -3.068 -5.346 1.00 0.00 O ATOM 1482 CB LEU B 3 62.035 -3.546 -3.305 1.00 0.00 C ATOM 1483 CG LEU B 3 63.330 -3.593 -2.474 1.00 0.00 C ATOM 1484 CD1 LEU B 3 63.804 -2.171 -2.137 1.00 0.00 C ATOM 1485 CD2 LEU B 3 63.061 -4.368 -1.181 1.00 0.00 C ATOM 0 H LEU B 3 60.272 -3.436 -5.044 1.00 0.00 H new ATOM 0 HA LEU B 3 62.542 -1.760 -4.428 1.00 0.00 H new ATOM 0 HB2 LEU B 3 61.248 -3.056 -2.732 1.00 0.00 H new ATOM 0 HB3 LEU B 3 61.694 -4.560 -3.513 1.00 0.00 H new ATOM 0 HG LEU B 3 64.110 -4.089 -3.051 1.00 0.00 H new ATOM 0 HD11 LEU B 3 64.721 -2.223 -1.549 1.00 0.00 H new ATOM 0 HD12 LEU B 3 63.995 -1.623 -3.060 1.00 0.00 H new ATOM 0 HD13 LEU B 3 63.033 -1.657 -1.563 1.00 0.00 H new ATOM 0 HD21 LEU B 3 63.972 -4.408 -0.584 1.00 0.00 H new ATOM 0 HD22 LEU B 3 62.277 -3.867 -0.613 1.00 0.00 H new ATOM 0 HD23 LEU B 3 62.742 -5.382 -1.424 1.00 0.00 H new ATOM 1497 N GLU B 4 63.076 -4.516 -6.129 1.00 0.00 N ATOM 1498 CA GLU B 4 64.133 -5.225 -6.900 1.00 0.00 C ATOM 1499 C GLU B 4 64.727 -4.280 -7.943 1.00 0.00 C ATOM 1500 O GLU B 4 65.923 -4.251 -8.160 1.00 0.00 O ATOM 1501 CB GLU B 4 63.513 -6.449 -7.580 1.00 0.00 C ATOM 1502 CG GLU B 4 64.588 -7.216 -8.353 1.00 0.00 C ATOM 1503 CD GLU B 4 63.971 -8.476 -8.964 1.00 0.00 C ATOM 1504 OE1 GLU B 4 62.842 -8.787 -8.620 1.00 0.00 O ATOM 1505 OE2 GLU B 4 64.639 -9.110 -9.765 1.00 0.00 O ATOM 0 H GLU B 4 62.137 -4.905 -6.219 1.00 0.00 H new ATOM 0 HA GLU B 4 64.931 -5.550 -6.232 1.00 0.00 H new ATOM 0 HB2 GLU B 4 63.057 -7.099 -6.833 1.00 0.00 H new ATOM 0 HB3 GLU B 4 62.719 -6.136 -8.258 1.00 0.00 H new ATOM 0 HG2 GLU B 4 65.007 -6.586 -9.137 1.00 0.00 H new ATOM 0 HG3 GLU B 4 65.408 -7.485 -7.688 1.00 0.00 H new ATOM 1512 N LYS B 5 63.906 -3.497 -8.586 1.00 0.00 N ATOM 1513 CA LYS B 5 64.430 -2.547 -9.606 1.00 0.00 C ATOM 1514 C LYS B 5 65.349 -1.523 -8.936 1.00 0.00 C ATOM 1515 O LYS B 5 66.362 -1.134 -9.482 1.00 0.00 O ATOM 1516 CB LYS B 5 63.272 -1.839 -10.317 1.00 0.00 C ATOM 1517 CG LYS B 5 62.544 -2.850 -11.207 1.00 0.00 C ATOM 1518 CD LYS B 5 61.382 -2.171 -11.938 1.00 0.00 C ATOM 1519 CE LYS B 5 60.673 -3.204 -12.819 1.00 0.00 C ATOM 1520 NZ LYS B 5 59.644 -2.528 -13.660 1.00 0.00 N ATOM 0 H LYS B 5 62.895 -3.474 -8.449 1.00 0.00 H new ATOM 0 HA LYS B 5 65.002 -3.103 -10.349 1.00 0.00 H new ATOM 0 HB2 LYS B 5 62.583 -1.416 -9.586 1.00 0.00 H new ATOM 0 HB3 LYS B 5 63.648 -1.011 -10.917 1.00 0.00 H new ATOM 0 HG2 LYS B 5 63.239 -3.275 -11.931 1.00 0.00 H new ATOM 0 HG3 LYS B 5 62.170 -3.675 -10.601 1.00 0.00 H new ATOM 0 HD2 LYS B 5 60.682 -1.746 -11.219 1.00 0.00 H new ATOM 0 HD3 LYS B 5 61.752 -1.347 -12.548 1.00 0.00 H new ATOM 0 HE2 LYS B 5 61.398 -3.713 -13.454 1.00 0.00 H new ATOM 0 HE3 LYS B 5 60.204 -3.966 -12.197 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 59.165 -3.233 -14.256 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 58.946 -2.062 -13.046 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 60.102 -1.817 -14.265 1.00 0.00 H new ATOM 1534 N ALA B 6 65.005 -1.084 -7.757 1.00 0.00 N ATOM 1535 CA ALA B 6 65.866 -0.088 -7.058 1.00 0.00 C ATOM 1536 C ALA B 6 67.262 -0.682 -6.844 1.00 0.00 C ATOM 1537 O ALA B 6 68.264 -0.044 -7.096 1.00 0.00 O ATOM 1538 CB ALA B 6 65.251 0.257 -5.699 1.00 0.00 C ATOM 0 H ALA B 6 64.168 -1.370 -7.249 1.00 0.00 H new ATOM 0 HA ALA B 6 65.940 0.814 -7.665 1.00 0.00 H new ATOM 0 HB1 ALA B 6 65.881 0.985 -5.189 1.00 0.00 H new ATOM 0 HB2 ALA B 6 64.256 0.678 -5.846 1.00 0.00 H new ATOM 0 HB3 ALA B 6 65.177 -0.646 -5.093 1.00 0.00 H new ATOM 1544 N MET B 7 67.330 -1.901 -6.382 1.00 0.00 N ATOM 1545 CA MET B 7 68.658 -2.544 -6.152 1.00 0.00 C ATOM 1546 C MET B 7 69.369 -2.752 -7.490 1.00 0.00 C ATOM 1547 O MET B 7 70.531 -2.435 -7.651 1.00 0.00 O ATOM 1548 CB MET B 7 68.437 -3.904 -5.498 1.00 0.00 C ATOM 1549 CG MET B 7 67.899 -3.711 -4.081 1.00 0.00 C ATOM 1550 SD MET B 7 67.637 -5.327 -3.308 1.00 0.00 S ATOM 1551 CE MET B 7 69.363 -5.873 -3.311 1.00 0.00 C ATOM 0 H MET B 7 66.523 -2.481 -6.153 1.00 0.00 H new ATOM 0 HA MET B 7 69.266 -1.906 -5.511 1.00 0.00 H new ATOM 0 HB2 MET B 7 67.734 -4.492 -6.088 1.00 0.00 H new ATOM 0 HB3 MET B 7 69.373 -4.461 -5.469 1.00 0.00 H new ATOM 0 HG2 MET B 7 68.602 -3.124 -3.491 1.00 0.00 H new ATOM 0 HG3 MET B 7 66.963 -3.154 -4.109 1.00 0.00 H new ATOM 0 HE1 MET B 7 69.608 -6.310 -2.343 1.00 0.00 H new ATOM 0 HE2 MET B 7 69.507 -6.619 -4.093 1.00 0.00 H new ATOM 0 HE3 MET B 7 70.014 -5.019 -3.499 1.00 0.00 H new ATOM 1561 N VAL B 8 68.672 -3.303 -8.443 1.00 0.00 N ATOM 1562 CA VAL B 8 69.283 -3.569 -9.771 1.00 0.00 C ATOM 1563 C VAL B 8 69.754 -2.250 -10.383 1.00 0.00 C ATOM 1564 O VAL B 8 70.782 -2.190 -11.028 1.00 0.00 O ATOM 1565 CB VAL B 8 68.241 -4.231 -10.680 1.00 0.00 C ATOM 1566 CG1 VAL B 8 68.780 -4.324 -12.110 1.00 0.00 C ATOM 1567 CG2 VAL B 8 67.935 -5.640 -10.156 1.00 0.00 C ATOM 0 H VAL B 8 67.695 -3.583 -8.356 1.00 0.00 H new ATOM 0 HA VAL B 8 70.138 -4.236 -9.662 1.00 0.00 H new ATOM 0 HB VAL B 8 67.330 -3.632 -10.681 1.00 0.00 H new ATOM 0 HG11 VAL B 8 68.034 -4.795 -12.750 1.00 0.00 H new ATOM 0 HG12 VAL B 8 68.997 -3.323 -12.483 1.00 0.00 H new ATOM 0 HG13 VAL B 8 69.693 -4.920 -12.117 1.00 0.00 H new ATOM 0 HG21 VAL B 8 67.194 -6.115 -10.800 1.00 0.00 H new ATOM 0 HG22 VAL B 8 68.849 -6.234 -10.155 1.00 0.00 H new ATOM 0 HG23 VAL B 8 67.544 -5.574 -9.141 1.00 0.00 H new ATOM 1577 N ALA B 9 69.020 -1.192 -10.192 1.00 0.00 N ATOM 1578 CA ALA B 9 69.447 0.108 -10.776 1.00 0.00 C ATOM 1579 C ALA B 9 70.822 0.489 -10.214 1.00 0.00 C ATOM 1580 O ALA B 9 71.675 0.981 -10.923 1.00 0.00 O ATOM 1581 CB ALA B 9 68.425 1.190 -10.405 1.00 0.00 C ATOM 0 H ALA B 9 68.149 -1.170 -9.661 1.00 0.00 H new ATOM 0 HA ALA B 9 69.508 0.021 -11.861 1.00 0.00 H new ATOM 0 HB1 ALA B 9 68.735 2.144 -10.831 1.00 0.00 H new ATOM 0 HB2 ALA B 9 67.446 0.917 -10.800 1.00 0.00 H new ATOM 0 HB3 ALA B 9 68.367 1.279 -9.320 1.00 0.00 H new ATOM 1587 N LEU B 10 71.039 0.274 -8.944 1.00 0.00 N ATOM 1588 CA LEU B 10 72.357 0.635 -8.332 1.00 0.00 C ATOM 1589 C LEU B 10 73.510 -0.130 -9.005 1.00 0.00 C ATOM 1590 O LEU B 10 74.533 0.442 -9.325 1.00 0.00 O ATOM 1591 CB LEU B 10 72.340 0.284 -6.842 1.00 0.00 C ATOM 1592 CG LEU B 10 71.402 1.231 -6.077 1.00 0.00 C ATOM 1593 CD1 LEU B 10 71.243 0.717 -4.642 1.00 0.00 C ATOM 1594 CD2 LEU B 10 71.973 2.665 -6.055 1.00 0.00 C ATOM 0 H LEU B 10 70.362 -0.136 -8.301 1.00 0.00 H new ATOM 0 HA LEU B 10 72.514 1.704 -8.473 1.00 0.00 H new ATOM 0 HB2 LEU B 10 72.013 -0.747 -6.709 1.00 0.00 H new ATOM 0 HB3 LEU B 10 73.348 0.354 -6.434 1.00 0.00 H new ATOM 0 HG LEU B 10 70.434 1.256 -6.577 1.00 0.00 H new ATOM 0 HD11 LEU B 10 70.579 1.381 -4.089 1.00 0.00 H new ATOM 0 HD12 LEU B 10 70.819 -0.287 -4.660 1.00 0.00 H new ATOM 0 HD13 LEU B 10 72.218 0.690 -4.155 1.00 0.00 H new ATOM 0 HD21 LEU B 10 71.293 3.319 -5.509 1.00 0.00 H new ATOM 0 HD22 LEU B 10 72.946 2.662 -5.564 1.00 0.00 H new ATOM 0 HD23 LEU B 10 72.083 3.028 -7.077 1.00 0.00 H new ATOM 1606 N ILE B 11 73.368 -1.416 -9.204 1.00 0.00 N ATOM 1607 CA ILE B 11 74.479 -2.198 -9.835 1.00 0.00 C ATOM 1608 C ILE B 11 74.767 -1.632 -11.223 1.00 0.00 C ATOM 1609 O ILE B 11 75.897 -1.357 -11.572 1.00 0.00 O ATOM 1610 CB ILE B 11 74.065 -3.665 -9.958 1.00 0.00 C ATOM 1611 CG1 ILE B 11 73.802 -4.235 -8.562 1.00 0.00 C ATOM 1612 CG2 ILE B 11 75.190 -4.460 -10.628 1.00 0.00 C ATOM 1613 CD1 ILE B 11 73.086 -5.581 -8.682 1.00 0.00 C ATOM 0 H ILE B 11 72.538 -1.957 -8.960 1.00 0.00 H new ATOM 0 HA ILE B 11 75.374 -2.126 -9.217 1.00 0.00 H new ATOM 0 HB ILE B 11 73.160 -3.739 -10.561 1.00 0.00 H new ATOM 0 HG12 ILE B 11 74.743 -4.359 -8.026 1.00 0.00 H new ATOM 0 HG13 ILE B 11 73.195 -3.539 -7.983 1.00 0.00 H new ATOM 0 HG21 ILE B 11 74.895 -5.506 -10.715 1.00 0.00 H new ATOM 0 HG22 ILE B 11 75.382 -4.053 -11.621 1.00 0.00 H new ATOM 0 HG23 ILE B 11 76.095 -4.388 -10.025 1.00 0.00 H new ATOM 0 HD11 ILE B 11 72.900 -5.984 -7.687 1.00 0.00 H new ATOM 0 HD12 ILE B 11 72.137 -5.443 -9.201 1.00 0.00 H new ATOM 0 HD13 ILE B 11 73.710 -6.276 -9.244 1.00 0.00 H new ATOM 1625 N ASP B 12 73.753 -1.463 -12.015 1.00 0.00 N ATOM 1626 CA ASP B 12 73.971 -0.920 -13.381 1.00 0.00 C ATOM 1627 C ASP B 12 74.615 0.459 -13.253 1.00 0.00 C ATOM 1628 O ASP B 12 75.505 0.813 -14.000 1.00 0.00 O ATOM 1629 CB ASP B 12 72.627 -0.804 -14.105 1.00 0.00 C ATOM 1630 CG ASP B 12 72.099 -2.203 -14.423 1.00 0.00 C ATOM 1631 OD1 ASP B 12 72.898 -3.125 -14.443 1.00 0.00 O ATOM 1632 OD2 ASP B 12 70.907 -2.329 -14.648 1.00 0.00 O ATOM 0 H ASP B 12 72.784 -1.676 -11.779 1.00 0.00 H new ATOM 0 HA ASP B 12 74.621 -1.582 -13.953 1.00 0.00 H new ATOM 0 HB2 ASP B 12 71.912 -0.266 -13.483 1.00 0.00 H new ATOM 0 HB3 ASP B 12 72.745 -0.230 -15.024 1.00 0.00 H new ATOM 1637 N VAL B 13 74.179 1.234 -12.303 1.00 0.00 N ATOM 1638 CA VAL B 13 74.774 2.584 -12.115 1.00 0.00 C ATOM 1639 C VAL B 13 76.212 2.451 -11.581 1.00 0.00 C ATOM 1640 O VAL B 13 77.096 3.182 -11.972 1.00 0.00 O ATOM 1641 CB VAL B 13 73.921 3.375 -11.114 1.00 0.00 C ATOM 1642 CG1 VAL B 13 74.642 4.667 -10.716 1.00 0.00 C ATOM 1643 CG2 VAL B 13 72.571 3.720 -11.752 1.00 0.00 C ATOM 0 H VAL B 13 73.436 0.991 -11.648 1.00 0.00 H new ATOM 0 HA VAL B 13 74.798 3.108 -13.070 1.00 0.00 H new ATOM 0 HB VAL B 13 73.761 2.766 -10.224 1.00 0.00 H new ATOM 0 HG11 VAL B 13 74.029 5.222 -10.005 1.00 0.00 H new ATOM 0 HG12 VAL B 13 75.599 4.422 -10.256 1.00 0.00 H new ATOM 0 HG13 VAL B 13 74.811 5.277 -11.603 1.00 0.00 H new ATOM 0 HG21 VAL B 13 71.965 4.282 -11.041 1.00 0.00 H new ATOM 0 HG22 VAL B 13 72.734 4.323 -12.645 1.00 0.00 H new ATOM 0 HG23 VAL B 13 72.052 2.801 -12.024 1.00 0.00 H new ATOM 1653 N PHE B 14 76.454 1.538 -10.677 1.00 0.00 N ATOM 1654 CA PHE B 14 77.833 1.397 -10.115 1.00 0.00 C ATOM 1655 C PHE B 14 78.830 0.986 -11.203 1.00 0.00 C ATOM 1656 O PHE B 14 79.849 1.621 -11.395 1.00 0.00 O ATOM 1657 CB PHE B 14 77.828 0.319 -9.028 1.00 0.00 C ATOM 1658 CG PHE B 14 79.221 0.169 -8.451 1.00 0.00 C ATOM 1659 CD1 PHE B 14 80.132 -0.720 -9.036 1.00 0.00 C ATOM 1660 CD2 PHE B 14 79.599 0.921 -7.332 1.00 0.00 C ATOM 1661 CE1 PHE B 14 81.420 -0.858 -8.500 1.00 0.00 C ATOM 1662 CE2 PHE B 14 80.888 0.783 -6.797 1.00 0.00 C ATOM 1663 CZ PHE B 14 81.796 -0.106 -7.381 1.00 0.00 C ATOM 0 H PHE B 14 75.763 0.887 -10.305 1.00 0.00 H new ATOM 0 HA PHE B 14 78.134 2.360 -9.703 1.00 0.00 H new ATOM 0 HB2 PHE B 14 77.124 0.587 -8.240 1.00 0.00 H new ATOM 0 HB3 PHE B 14 77.493 -0.630 -9.445 1.00 0.00 H new ATOM 0 HD1 PHE B 14 79.842 -1.299 -9.900 1.00 0.00 H new ATOM 0 HD2 PHE B 14 78.898 1.607 -6.881 1.00 0.00 H new ATOM 0 HE1 PHE B 14 82.122 -1.544 -8.950 1.00 0.00 H new ATOM 0 HE2 PHE B 14 81.179 1.363 -5.934 1.00 0.00 H new ATOM 0 HZ PHE B 14 82.788 -0.212 -6.968 1.00 0.00 H new ATOM 1673 N HIS B 15 78.579 -0.107 -11.871 1.00 0.00 N ATOM 1674 CA HIS B 15 79.546 -0.605 -12.890 1.00 0.00 C ATOM 1675 C HIS B 15 79.764 0.419 -14.003 1.00 0.00 C ATOM 1676 O HIS B 15 80.874 0.596 -14.462 1.00 0.00 O ATOM 1677 CB HIS B 15 79.008 -1.906 -13.496 1.00 0.00 C ATOM 1678 CG HIS B 15 79.972 -2.425 -14.529 1.00 0.00 C ATOM 1679 ND1 HIS B 15 81.199 -2.979 -14.187 1.00 0.00 N ATOM 1680 CD2 HIS B 15 79.902 -2.488 -15.899 1.00 0.00 C ATOM 1681 CE1 HIS B 15 81.811 -3.348 -15.328 1.00 0.00 C ATOM 1682 NE2 HIS B 15 81.062 -3.070 -16.397 1.00 0.00 N ATOM 0 H HIS B 15 77.742 -0.679 -11.754 1.00 0.00 H new ATOM 0 HA HIS B 15 80.503 -0.779 -12.399 1.00 0.00 H new ATOM 0 HB2 HIS B 15 78.865 -2.650 -12.713 1.00 0.00 H new ATOM 0 HB3 HIS B 15 78.033 -1.730 -13.951 1.00 0.00 H new ATOM 0 HD2 HIS B 15 79.073 -2.139 -16.497 1.00 0.00 H new ATOM 0 HE1 HIS B 15 82.786 -3.811 -15.373 1.00 0.00 H new ATOM 0 HE2 HIS B 15 81.292 -3.247 -17.375 1.00 0.00 H new ATOM 1691 N GLN B 16 78.750 1.098 -14.460 1.00 0.00 N ATOM 1692 CA GLN B 16 78.985 2.086 -15.550 1.00 0.00 C ATOM 1693 C GLN B 16 79.829 3.249 -15.021 1.00 0.00 C ATOM 1694 O GLN B 16 80.710 3.747 -15.693 1.00 0.00 O ATOM 1695 CB GLN B 16 77.641 2.615 -16.060 1.00 0.00 C ATOM 1696 CG GLN B 16 77.883 3.591 -17.212 1.00 0.00 C ATOM 1697 CD GLN B 16 76.544 4.004 -17.828 1.00 0.00 C ATOM 1698 OE1 GLN B 16 75.517 3.434 -17.518 1.00 0.00 O ATOM 1699 NE2 GLN B 16 76.515 4.980 -18.694 1.00 0.00 N ATOM 0 H GLN B 16 77.787 1.016 -14.135 1.00 0.00 H new ATOM 0 HA GLN B 16 79.517 1.600 -16.368 1.00 0.00 H new ATOM 0 HB2 GLN B 16 77.016 1.788 -16.395 1.00 0.00 H new ATOM 0 HB3 GLN B 16 77.104 3.114 -15.253 1.00 0.00 H new ATOM 0 HG2 GLN B 16 78.415 4.471 -16.850 1.00 0.00 H new ATOM 0 HG3 GLN B 16 78.514 3.126 -17.969 1.00 0.00 H new ATOM 0 HE21 GLN B 16 77.378 5.458 -18.953 1.00 0.00 H new ATOM 0 HE22 GLN B 16 75.629 5.265 -19.112 1.00 0.00 H new ATOM 1708 N TYR B 17 79.565 3.683 -13.819 1.00 0.00 N ATOM 1709 CA TYR B 17 80.354 4.814 -13.247 1.00 0.00 C ATOM 1710 C TYR B 17 81.742 4.330 -12.797 1.00 0.00 C ATOM 1711 O TYR B 17 82.736 4.979 -13.054 1.00 0.00 O ATOM 1712 CB TYR B 17 79.580 5.438 -12.066 1.00 0.00 C ATOM 1713 CG TYR B 17 78.680 6.552 -12.570 1.00 0.00 C ATOM 1714 CD1 TYR B 17 77.370 6.278 -12.985 1.00 0.00 C ATOM 1715 CD2 TYR B 17 79.172 7.861 -12.631 1.00 0.00 C ATOM 1716 CE1 TYR B 17 76.555 7.313 -13.458 1.00 0.00 C ATOM 1717 CE2 TYR B 17 78.357 8.895 -13.105 1.00 0.00 C ATOM 1718 CZ TYR B 17 77.048 8.622 -13.518 1.00 0.00 C ATOM 1719 OH TYR B 17 76.246 9.641 -13.985 1.00 0.00 O ATOM 0 H TYR B 17 78.840 3.306 -13.209 1.00 0.00 H new ATOM 0 HA TYR B 17 80.498 5.574 -14.015 1.00 0.00 H new ATOM 0 HB2 TYR B 17 78.984 4.674 -11.567 1.00 0.00 H new ATOM 0 HB3 TYR B 17 80.280 5.830 -11.328 1.00 0.00 H new ATOM 0 HD1 TYR B 17 76.989 5.268 -12.940 1.00 0.00 H new ATOM 0 HD2 TYR B 17 80.182 8.073 -12.312 1.00 0.00 H new ATOM 0 HE1 TYR B 17 75.545 7.102 -13.777 1.00 0.00 H new ATOM 0 HE2 TYR B 17 78.738 9.904 -13.152 1.00 0.00 H new ATOM 0 HH TYR B 17 76.742 10.486 -13.959 1.00 0.00 H new ATOM 1729 N SER B 18 81.833 3.207 -12.133 1.00 0.00 N ATOM 1730 CA SER B 18 83.170 2.719 -11.686 1.00 0.00 C ATOM 1731 C SER B 18 83.957 2.190 -12.883 1.00 0.00 C ATOM 1732 O SER B 18 85.166 2.066 -12.837 1.00 0.00 O ATOM 1733 CB SER B 18 82.993 1.586 -10.672 1.00 0.00 C ATOM 1734 OG SER B 18 82.516 0.427 -11.343 1.00 0.00 O ATOM 0 H SER B 18 81.044 2.611 -11.883 1.00 0.00 H new ATOM 0 HA SER B 18 83.711 3.547 -11.227 1.00 0.00 H new ATOM 0 HB2 SER B 18 83.942 1.371 -10.180 1.00 0.00 H new ATOM 0 HB3 SER B 18 82.291 1.885 -9.894 1.00 0.00 H new ATOM 0 HG SER B 18 83.254 -0.205 -11.469 1.00 0.00 H new ATOM 1740 N GLY B 19 83.282 1.863 -13.953 1.00 0.00 N ATOM 1741 CA GLY B 19 83.986 1.324 -15.151 1.00 0.00 C ATOM 1742 C GLY B 19 84.513 2.466 -16.019 1.00 0.00 C ATOM 1743 O GLY B 19 84.825 2.277 -17.177 1.00 0.00 O ATOM 0 H GLY B 19 82.270 1.947 -14.048 1.00 0.00 H new ATOM 0 HA2 GLY B 19 84.812 0.686 -14.838 1.00 0.00 H new ATOM 0 HA3 GLY B 19 83.305 0.702 -15.732 1.00 0.00 H new ATOM 1747 N ARG B 20 84.637 3.646 -15.476 1.00 0.00 N ATOM 1748 CA ARG B 20 85.171 4.775 -16.285 1.00 0.00 C ATOM 1749 C ARG B 20 86.698 4.683 -16.332 1.00 0.00 C ATOM 1750 O ARG B 20 87.307 4.847 -17.369 1.00 0.00 O ATOM 1751 CB ARG B 20 84.745 6.098 -15.649 1.00 0.00 C ATOM 1752 CG ARG B 20 83.238 6.285 -15.831 1.00 0.00 C ATOM 1753 CD ARG B 20 82.803 7.591 -15.169 1.00 0.00 C ATOM 1754 NE ARG B 20 83.126 7.536 -13.716 1.00 0.00 N ATOM 1755 CZ ARG B 20 82.695 8.470 -12.914 1.00 0.00 C ATOM 1756 NH1 ARG B 20 81.977 9.454 -13.383 1.00 0.00 N ATOM 1757 NH2 ARG B 20 82.980 8.416 -11.641 1.00 0.00 N ATOM 0 H ARG B 20 84.393 3.875 -14.513 1.00 0.00 H new ATOM 0 HA ARG B 20 84.777 4.724 -17.300 1.00 0.00 H new ATOM 0 HB2 ARG B 20 84.998 6.103 -14.589 1.00 0.00 H new ATOM 0 HB3 ARG B 20 85.284 6.926 -16.109 1.00 0.00 H new ATOM 0 HG2 ARG B 20 82.988 6.302 -16.892 1.00 0.00 H new ATOM 0 HG3 ARG B 20 82.701 5.445 -15.391 1.00 0.00 H new ATOM 0 HD2 ARG B 20 83.311 8.435 -15.635 1.00 0.00 H new ATOM 0 HD3 ARG B 20 81.733 7.745 -15.310 1.00 0.00 H new ATOM 0 HE ARG B 20 83.685 6.767 -13.348 1.00 0.00 H new ATOM 0 HH11 ARG B 20 81.753 9.493 -14.377 1.00 0.00 H new ATOM 0 HH12 ARG B 20 81.640 10.184 -12.755 1.00 0.00 H new ATOM 0 HH21 ARG B 20 83.539 7.645 -11.276 1.00 0.00 H new ATOM 0 HH22 ARG B 20 82.644 9.145 -11.012 1.00 0.00 H new ATOM 1771 N GLU B 21 87.325 4.425 -15.212 1.00 0.00 N ATOM 1772 CA GLU B 21 88.814 4.331 -15.196 1.00 0.00 C ATOM 1773 C GLU B 21 89.272 3.768 -13.846 1.00 0.00 C ATOM 1774 O GLU B 21 88.606 3.923 -12.841 1.00 0.00 O ATOM 1775 CB GLU B 21 89.402 5.731 -15.398 1.00 0.00 C ATOM 1776 CG GLU B 21 90.920 5.645 -15.614 1.00 0.00 C ATOM 1777 CD GLU B 21 91.632 5.438 -14.273 1.00 0.00 C ATOM 1778 OE1 GLU B 21 91.037 5.735 -13.250 1.00 0.00 O ATOM 1779 OE2 GLU B 21 92.765 4.985 -14.293 1.00 0.00 O ATOM 0 H GLU B 21 86.871 4.276 -14.311 1.00 0.00 H new ATOM 0 HA GLU B 21 89.155 3.672 -15.994 1.00 0.00 H new ATOM 0 HB2 GLU B 21 88.932 6.210 -16.257 1.00 0.00 H new ATOM 0 HB3 GLU B 21 89.186 6.353 -14.529 1.00 0.00 H new ATOM 0 HG2 GLU B 21 91.153 4.822 -16.289 1.00 0.00 H new ATOM 0 HG3 GLU B 21 91.280 6.558 -16.089 1.00 0.00 H new ATOM 1786 N GLY B 22 90.407 3.118 -13.810 1.00 0.00 N ATOM 1787 CA GLY B 22 90.910 2.551 -12.523 1.00 0.00 C ATOM 1788 C GLY B 22 90.318 1.156 -12.308 1.00 0.00 C ATOM 1789 O GLY B 22 89.262 1.002 -11.726 1.00 0.00 O ATOM 0 H GLY B 22 91.008 2.955 -14.618 1.00 0.00 H new ATOM 0 HA2 GLY B 22 91.998 2.496 -12.539 1.00 0.00 H new ATOM 0 HA3 GLY B 22 90.636 3.205 -11.695 1.00 0.00 H new ATOM 1793 N ASP B 23 90.989 0.135 -12.776 1.00 0.00 N ATOM 1794 CA ASP B 23 90.463 -1.251 -12.603 1.00 0.00 C ATOM 1795 C ASP B 23 88.995 -1.285 -13.033 1.00 0.00 C ATOM 1796 O ASP B 23 88.619 -0.667 -14.010 1.00 0.00 O ATOM 1797 CB ASP B 23 90.587 -1.668 -11.136 1.00 0.00 C ATOM 1798 CG ASP B 23 92.064 -1.704 -10.739 1.00 0.00 C ATOM 1799 OD1 ASP B 23 92.843 -2.276 -11.484 1.00 0.00 O ATOM 1800 OD2 ASP B 23 92.391 -1.161 -9.697 1.00 0.00 O ATOM 0 H ASP B 23 91.879 0.202 -13.271 1.00 0.00 H new ATOM 0 HA ASP B 23 91.038 -1.944 -13.217 1.00 0.00 H new ATOM 0 HB2 ASP B 23 90.046 -0.967 -10.501 1.00 0.00 H new ATOM 0 HB3 ASP B 23 90.135 -2.649 -10.986 1.00 0.00 H new ATOM 1805 N LYS B 24 88.156 -2.000 -12.317 1.00 0.00 N ATOM 1806 CA LYS B 24 86.706 -2.073 -12.690 1.00 0.00 C ATOM 1807 C LYS B 24 85.828 -1.811 -11.461 1.00 0.00 C ATOM 1808 O LYS B 24 84.799 -1.172 -11.559 1.00 0.00 O ATOM 1809 CB LYS B 24 86.396 -3.467 -13.239 1.00 0.00 C ATOM 1810 CG LYS B 24 87.088 -3.650 -14.591 1.00 0.00 C ATOM 1811 CD LYS B 24 86.776 -5.045 -15.138 1.00 0.00 C ATOM 1812 CE LYS B 24 87.467 -5.231 -16.492 1.00 0.00 C ATOM 1813 NZ LYS B 24 87.358 -6.657 -16.916 1.00 0.00 N ATOM 0 H LYS B 24 88.415 -2.537 -11.489 1.00 0.00 H new ATOM 0 HA LYS B 24 86.496 -1.317 -13.446 1.00 0.00 H new ATOM 0 HB2 LYS B 24 86.737 -4.229 -12.538 1.00 0.00 H new ATOM 0 HB3 LYS B 24 85.319 -3.594 -13.350 1.00 0.00 H new ATOM 0 HG2 LYS B 24 86.748 -2.888 -15.292 1.00 0.00 H new ATOM 0 HG3 LYS B 24 88.165 -3.523 -14.481 1.00 0.00 H new ATOM 0 HD2 LYS B 24 87.117 -5.807 -14.437 1.00 0.00 H new ATOM 0 HD3 LYS B 24 85.699 -5.171 -15.247 1.00 0.00 H new ATOM 0 HE2 LYS B 24 87.008 -4.583 -17.238 1.00 0.00 H new ATOM 0 HE3 LYS B 24 88.515 -4.941 -16.420 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 87.827 -6.783 -17.835 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 87.815 -7.266 -16.208 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 86.355 -6.918 -17.001 1.00 0.00 H new ATOM 1827 N HIS B 25 86.211 -2.318 -10.310 1.00 0.00 N ATOM 1828 CA HIS B 25 85.386 -2.126 -9.074 1.00 0.00 C ATOM 1829 C HIS B 25 86.125 -1.253 -8.051 1.00 0.00 C ATOM 1830 O HIS B 25 85.722 -1.166 -6.908 1.00 0.00 O ATOM 1831 CB HIS B 25 85.104 -3.496 -8.451 1.00 0.00 C ATOM 1832 CG HIS B 25 84.354 -4.350 -9.437 1.00 0.00 C ATOM 1833 ND1 HIS B 25 84.437 -5.736 -9.427 1.00 0.00 N ATOM 1834 CD2 HIS B 25 83.516 -4.032 -10.479 1.00 0.00 C ATOM 1835 CE1 HIS B 25 83.670 -6.196 -10.433 1.00 0.00 C ATOM 1836 NE2 HIS B 25 83.088 -5.200 -11.102 1.00 0.00 N ATOM 0 H HIS B 25 87.065 -2.859 -10.175 1.00 0.00 H new ATOM 0 HA HIS B 25 84.456 -1.628 -9.347 1.00 0.00 H new ATOM 0 HB2 HIS B 25 86.040 -3.980 -8.172 1.00 0.00 H new ATOM 0 HB3 HIS B 25 84.521 -3.379 -7.537 1.00 0.00 H new ATOM 0 HD2 HIS B 25 83.234 -3.031 -10.769 1.00 0.00 H new ATOM 0 HE1 HIS B 25 83.542 -7.242 -10.669 1.00 0.00 H new ATOM 0 HE2 HIS B 25 82.461 -5.278 -11.902 1.00 0.00 H new ATOM 1845 N LYS B 26 87.197 -0.604 -8.442 1.00 0.00 N ATOM 1846 CA LYS B 26 87.949 0.264 -7.473 1.00 0.00 C ATOM 1847 C LYS B 26 87.666 1.732 -7.796 1.00 0.00 C ATOM 1848 O LYS B 26 87.912 2.196 -8.894 1.00 0.00 O ATOM 1849 CB LYS B 26 89.455 0.007 -7.611 1.00 0.00 C ATOM 1850 CG LYS B 26 89.766 -1.482 -7.396 1.00 0.00 C ATOM 1851 CD LYS B 26 89.601 -1.860 -5.918 1.00 0.00 C ATOM 1852 CE LYS B 26 90.203 -3.246 -5.680 1.00 0.00 C ATOM 1853 NZ LYS B 26 89.433 -4.260 -6.454 1.00 0.00 N ATOM 0 H LYS B 26 87.584 -0.636 -9.385 1.00 0.00 H new ATOM 0 HA LYS B 26 87.631 0.033 -6.456 1.00 0.00 H new ATOM 0 HB2 LYS B 26 89.794 0.317 -8.599 1.00 0.00 H new ATOM 0 HB3 LYS B 26 90.001 0.608 -6.884 1.00 0.00 H new ATOM 0 HG2 LYS B 26 89.101 -2.090 -8.009 1.00 0.00 H new ATOM 0 HG3 LYS B 26 90.784 -1.697 -7.721 1.00 0.00 H new ATOM 0 HD2 LYS B 26 90.095 -1.123 -5.285 1.00 0.00 H new ATOM 0 HD3 LYS B 26 88.546 -1.858 -5.646 1.00 0.00 H new ATOM 0 HE2 LYS B 26 91.249 -3.257 -5.985 1.00 0.00 H new ATOM 0 HE3 LYS B 26 90.178 -3.488 -4.617 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 89.728 -5.215 -6.165 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 88.417 -4.141 -6.268 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 89.616 -4.133 -7.470 1.00 0.00 H new ATOM 1867 N LEU B 27 87.135 2.465 -6.852 1.00 0.00 N ATOM 1868 CA LEU B 27 86.819 3.903 -7.105 1.00 0.00 C ATOM 1869 C LEU B 27 87.939 4.786 -6.554 1.00 0.00 C ATOM 1870 O LEU B 27 88.280 4.729 -5.390 1.00 0.00 O ATOM 1871 CB LEU B 27 85.516 4.263 -6.399 1.00 0.00 C ATOM 1872 CG LEU B 27 84.354 3.466 -6.998 1.00 0.00 C ATOM 1873 CD1 LEU B 27 83.098 3.715 -6.158 1.00 0.00 C ATOM 1874 CD2 LEU B 27 84.103 3.897 -8.458 1.00 0.00 C ATOM 0 H LEU B 27 86.906 2.130 -5.916 1.00 0.00 H new ATOM 0 HA LEU B 27 86.722 4.064 -8.179 1.00 0.00 H new ATOM 0 HB2 LEU B 27 85.601 4.051 -5.333 1.00 0.00 H new ATOM 0 HB3 LEU B 27 85.323 5.331 -6.498 1.00 0.00 H new ATOM 0 HG LEU B 27 84.601 2.404 -6.991 1.00 0.00 H new ATOM 0 HD11 LEU B 27 82.263 3.152 -6.576 1.00 0.00 H new ATOM 0 HD12 LEU B 27 83.276 3.392 -5.132 1.00 0.00 H new ATOM 0 HD13 LEU B 27 82.859 4.778 -6.167 1.00 0.00 H new ATOM 0 HD21 LEU B 27 83.274 3.321 -8.870 1.00 0.00 H new ATOM 0 HD22 LEU B 27 83.857 4.959 -8.487 1.00 0.00 H new ATOM 0 HD23 LEU B 27 85.000 3.716 -9.050 1.00 0.00 H new ATOM 1886 N LYS B 28 88.503 5.614 -7.391 1.00 0.00 N ATOM 1887 CA LYS B 28 89.595 6.525 -6.940 1.00 0.00 C ATOM 1888 C LYS B 28 88.974 7.842 -6.465 1.00 0.00 C ATOM 1889 O LYS B 28 87.838 8.142 -6.771 1.00 0.00 O ATOM 1890 CB LYS B 28 90.552 6.792 -8.105 1.00 0.00 C ATOM 1891 CG LYS B 28 91.698 7.699 -7.634 1.00 0.00 C ATOM 1892 CD LYS B 28 92.823 7.737 -8.685 1.00 0.00 C ATOM 1893 CE LYS B 28 93.793 6.566 -8.472 1.00 0.00 C ATOM 1894 NZ LYS B 28 94.683 6.866 -7.313 1.00 0.00 N ATOM 0 H LYS B 28 88.252 5.699 -8.376 1.00 0.00 H new ATOM 0 HA LYS B 28 90.151 6.065 -6.123 1.00 0.00 H new ATOM 0 HB2 LYS B 28 90.952 5.851 -8.483 1.00 0.00 H new ATOM 0 HB3 LYS B 28 90.016 7.264 -8.928 1.00 0.00 H new ATOM 0 HG2 LYS B 28 91.323 8.707 -7.458 1.00 0.00 H new ATOM 0 HG3 LYS B 28 92.091 7.335 -6.685 1.00 0.00 H new ATOM 0 HD2 LYS B 28 92.396 7.686 -9.687 1.00 0.00 H new ATOM 0 HD3 LYS B 28 93.362 8.682 -8.616 1.00 0.00 H new ATOM 0 HE2 LYS B 28 93.237 5.647 -8.289 1.00 0.00 H new ATOM 0 HE3 LYS B 28 94.389 6.405 -9.370 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 95.493 6.213 -7.319 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 95.027 7.845 -7.384 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 94.151 6.749 -6.427 1.00 0.00 H new ATOM 1908 N LYS B 29 89.699 8.629 -5.719 1.00 0.00 N ATOM 1909 CA LYS B 29 89.123 9.913 -5.235 1.00 0.00 C ATOM 1910 C LYS B 29 88.639 10.733 -6.435 1.00 0.00 C ATOM 1911 O LYS B 29 87.597 11.358 -6.390 1.00 0.00 O ATOM 1912 CB LYS B 29 90.177 10.693 -4.437 1.00 0.00 C ATOM 1913 CG LYS B 29 91.442 10.902 -5.273 1.00 0.00 C ATOM 1914 CD LYS B 29 92.470 11.670 -4.437 1.00 0.00 C ATOM 1915 CE LYS B 29 93.735 11.916 -5.261 1.00 0.00 C ATOM 1916 NZ LYS B 29 94.729 12.655 -4.429 1.00 0.00 N ATOM 0 H LYS B 29 90.658 8.440 -5.426 1.00 0.00 H new ATOM 0 HA LYS B 29 88.277 9.711 -4.578 1.00 0.00 H new ATOM 0 HB2 LYS B 29 89.771 11.658 -4.135 1.00 0.00 H new ATOM 0 HB3 LYS B 29 90.424 10.151 -3.524 1.00 0.00 H new ATOM 0 HG2 LYS B 29 91.851 9.941 -5.583 1.00 0.00 H new ATOM 0 HG3 LYS B 29 91.206 11.456 -6.181 1.00 0.00 H new ATOM 0 HD2 LYS B 29 92.048 12.621 -4.110 1.00 0.00 H new ATOM 0 HD3 LYS B 29 92.716 11.104 -3.538 1.00 0.00 H new ATOM 0 HE2 LYS B 29 94.156 10.967 -5.594 1.00 0.00 H new ATOM 0 HE3 LYS B 29 93.494 12.490 -6.156 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 95.591 12.824 -4.986 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 94.324 13.566 -4.132 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 94.966 12.091 -3.588 1.00 0.00 H new ATOM 1930 N SER B 30 89.370 10.724 -7.516 1.00 0.00 N ATOM 1931 CA SER B 30 88.928 11.488 -8.719 1.00 0.00 C ATOM 1932 C SER B 30 87.566 10.956 -9.182 1.00 0.00 C ATOM 1933 O SER B 30 86.716 11.699 -9.632 1.00 0.00 O ATOM 1934 CB SER B 30 89.955 11.317 -9.839 1.00 0.00 C ATOM 1935 OG SER B 30 89.960 9.962 -10.269 1.00 0.00 O ATOM 0 H SER B 30 90.252 10.222 -7.619 1.00 0.00 H new ATOM 0 HA SER B 30 88.841 12.546 -8.471 1.00 0.00 H new ATOM 0 HB2 SER B 30 89.713 11.975 -10.674 1.00 0.00 H new ATOM 0 HB3 SER B 30 90.946 11.602 -9.486 1.00 0.00 H new ATOM 0 HG SER B 30 90.616 9.849 -10.988 1.00 0.00 H new ATOM 1941 N GLU B 31 87.353 9.671 -9.065 1.00 0.00 N ATOM 1942 CA GLU B 31 86.048 9.074 -9.485 1.00 0.00 C ATOM 1943 C GLU B 31 84.947 9.557 -8.536 1.00 0.00 C ATOM 1944 O GLU B 31 83.805 9.722 -8.916 1.00 0.00 O ATOM 1945 CB GLU B 31 86.132 7.544 -9.408 1.00 0.00 C ATOM 1946 CG GLU B 31 87.208 7.028 -10.371 1.00 0.00 C ATOM 1947 CD GLU B 31 86.662 7.014 -11.801 1.00 0.00 C ATOM 1948 OE1 GLU B 31 85.845 6.156 -12.092 1.00 0.00 O ATOM 1949 OE2 GLU B 31 87.071 7.861 -12.579 1.00 0.00 O ATOM 0 H GLU B 31 88.031 9.005 -8.694 1.00 0.00 H new ATOM 0 HA GLU B 31 85.824 9.378 -10.507 1.00 0.00 H new ATOM 0 HB2 GLU B 31 86.366 7.235 -8.389 1.00 0.00 H new ATOM 0 HB3 GLU B 31 85.166 7.106 -9.660 1.00 0.00 H new ATOM 0 HG2 GLU B 31 88.092 7.663 -10.316 1.00 0.00 H new ATOM 0 HG3 GLU B 31 87.518 6.024 -10.081 1.00 0.00 H new ATOM 1956 N LEU B 32 85.296 9.798 -7.305 1.00 0.00 N ATOM 1957 CA LEU B 32 84.288 10.286 -6.321 1.00 0.00 C ATOM 1958 C LEU B 32 83.887 11.719 -6.665 1.00 0.00 C ATOM 1959 O LEU B 32 82.738 12.095 -6.560 1.00 0.00 O ATOM 1960 CB LEU B 32 84.865 10.255 -4.902 1.00 0.00 C ATOM 1961 CG LEU B 32 85.194 8.815 -4.485 1.00 0.00 C ATOM 1962 CD1 LEU B 32 85.775 8.827 -3.068 1.00 0.00 C ATOM 1963 CD2 LEU B 32 83.922 7.942 -4.514 1.00 0.00 C ATOM 0 H LEU B 32 86.239 9.678 -6.935 1.00 0.00 H new ATOM 0 HA LEU B 32 83.416 9.634 -6.366 1.00 0.00 H new ATOM 0 HB2 LEU B 32 85.765 10.868 -4.856 1.00 0.00 H new ATOM 0 HB3 LEU B 32 84.149 10.687 -4.203 1.00 0.00 H new ATOM 0 HG LEU B 32 85.919 8.397 -5.183 1.00 0.00 H new ATOM 0 HD11 LEU B 32 86.012 7.808 -2.763 1.00 0.00 H new ATOM 0 HD12 LEU B 32 86.682 9.431 -3.052 1.00 0.00 H new ATOM 0 HD13 LEU B 32 85.045 9.251 -2.379 1.00 0.00 H new ATOM 0 HD21 LEU B 32 84.173 6.924 -4.216 1.00 0.00 H new ATOM 0 HD22 LEU B 32 83.184 8.351 -3.824 1.00 0.00 H new ATOM 0 HD23 LEU B 32 83.510 7.933 -5.523 1.00 0.00 H new ATOM 1975 N LYS B 33 84.828 12.523 -7.068 1.00 0.00 N ATOM 1976 CA LYS B 33 84.507 13.937 -7.409 1.00 0.00 C ATOM 1977 C LYS B 33 83.537 13.995 -8.596 1.00 0.00 C ATOM 1978 O LYS B 33 82.589 14.754 -8.592 1.00 0.00 O ATOM 1979 CB LYS B 33 85.802 14.672 -7.762 1.00 0.00 C ATOM 1980 CG LYS B 33 85.509 16.157 -7.978 1.00 0.00 C ATOM 1981 CD LYS B 33 86.808 16.887 -8.325 1.00 0.00 C ATOM 1982 CE LYS B 33 86.538 18.390 -8.419 1.00 0.00 C ATOM 1983 NZ LYS B 33 86.115 18.902 -7.086 1.00 0.00 N ATOM 0 H LYS B 33 85.808 12.263 -7.177 1.00 0.00 H new ATOM 0 HA LYS B 33 84.032 14.414 -6.551 1.00 0.00 H new ATOM 0 HB2 LYS B 33 86.532 14.548 -6.962 1.00 0.00 H new ATOM 0 HB3 LYS B 33 86.241 14.243 -8.663 1.00 0.00 H new ATOM 0 HG2 LYS B 33 84.783 16.282 -8.781 1.00 0.00 H new ATOM 0 HG3 LYS B 33 85.067 16.586 -7.079 1.00 0.00 H new ATOM 0 HD2 LYS B 33 87.563 16.689 -7.564 1.00 0.00 H new ATOM 0 HD3 LYS B 33 87.204 16.518 -9.271 1.00 0.00 H new ATOM 0 HE2 LYS B 33 87.435 18.911 -8.753 1.00 0.00 H new ATOM 0 HE3 LYS B 33 85.762 18.585 -9.159 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 85.121 19.206 -7.130 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 86.215 18.148 -6.377 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 86.713 19.710 -6.819 1.00 0.00 H new ATOM 1997 N GLU B 34 83.765 13.207 -9.612 1.00 0.00 N ATOM 1998 CA GLU B 34 82.846 13.238 -10.788 1.00 0.00 C ATOM 1999 C GLU B 34 81.492 12.641 -10.409 1.00 0.00 C ATOM 2000 O GLU B 34 80.450 13.166 -10.750 1.00 0.00 O ATOM 2001 CB GLU B 34 83.455 12.433 -11.940 1.00 0.00 C ATOM 2002 CG GLU B 34 82.543 12.523 -13.167 1.00 0.00 C ATOM 2003 CD GLU B 34 83.185 11.779 -14.339 1.00 0.00 C ATOM 2004 OE1 GLU B 34 84.340 11.405 -14.217 1.00 0.00 O ATOM 2005 OE2 GLU B 34 82.512 11.595 -15.340 1.00 0.00 O ATOM 0 H GLU B 34 84.541 12.548 -9.680 1.00 0.00 H new ATOM 0 HA GLU B 34 82.706 14.273 -11.101 1.00 0.00 H new ATOM 0 HB2 GLU B 34 84.446 12.817 -12.182 1.00 0.00 H new ATOM 0 HB3 GLU B 34 83.581 11.392 -11.643 1.00 0.00 H new ATOM 0 HG2 GLU B 34 81.568 12.092 -12.940 1.00 0.00 H new ATOM 0 HG3 GLU B 34 82.376 13.567 -13.433 1.00 0.00 H new ATOM 2012 N LEU B 35 81.500 11.538 -9.719 1.00 0.00 N ATOM 2013 CA LEU B 35 80.218 10.890 -9.328 1.00 0.00 C ATOM 2014 C LEU B 35 79.408 11.862 -8.467 1.00 0.00 C ATOM 2015 O LEU B 35 78.236 12.091 -8.698 1.00 0.00 O ATOM 2016 CB LEU B 35 80.534 9.621 -8.523 1.00 0.00 C ATOM 2017 CG LEU B 35 79.241 8.884 -8.132 1.00 0.00 C ATOM 2018 CD1 LEU B 35 78.588 8.256 -9.374 1.00 0.00 C ATOM 2019 CD2 LEU B 35 79.580 7.783 -7.124 1.00 0.00 C ATOM 0 H LEU B 35 82.342 11.054 -9.407 1.00 0.00 H new ATOM 0 HA LEU B 35 79.640 10.628 -10.214 1.00 0.00 H new ATOM 0 HB2 LEU B 35 81.170 8.960 -9.112 1.00 0.00 H new ATOM 0 HB3 LEU B 35 81.093 9.885 -7.625 1.00 0.00 H new ATOM 0 HG LEU B 35 78.543 9.595 -7.690 1.00 0.00 H new ATOM 0 HD11 LEU B 35 77.674 7.738 -9.082 1.00 0.00 H new ATOM 0 HD12 LEU B 35 78.347 9.039 -10.094 1.00 0.00 H new ATOM 0 HD13 LEU B 35 79.279 7.545 -9.828 1.00 0.00 H new ATOM 0 HD21 LEU B 35 78.669 7.255 -6.841 1.00 0.00 H new ATOM 0 HD22 LEU B 35 80.281 7.081 -7.575 1.00 0.00 H new ATOM 0 HD23 LEU B 35 80.032 8.228 -6.237 1.00 0.00 H new ATOM 2031 N ILE B 36 80.027 12.429 -7.470 1.00 0.00 N ATOM 2032 CA ILE B 36 79.315 13.383 -6.574 1.00 0.00 C ATOM 2033 C ILE B 36 78.792 14.580 -7.380 1.00 0.00 C ATOM 2034 O ILE B 36 77.645 14.964 -7.258 1.00 0.00 O ATOM 2035 CB ILE B 36 80.296 13.866 -5.500 1.00 0.00 C ATOM 2036 CG1 ILE B 36 80.644 12.693 -4.575 1.00 0.00 C ATOM 2037 CG2 ILE B 36 79.660 14.989 -4.677 1.00 0.00 C ATOM 2038 CD1 ILE B 36 81.883 13.036 -3.742 1.00 0.00 C ATOM 0 H ILE B 36 81.007 12.271 -7.235 1.00 0.00 H new ATOM 0 HA ILE B 36 78.464 12.885 -6.108 1.00 0.00 H new ATOM 0 HB ILE B 36 81.199 14.243 -5.980 1.00 0.00 H new ATOM 0 HG12 ILE B 36 79.802 12.475 -3.918 1.00 0.00 H new ATOM 0 HG13 ILE B 36 80.829 11.795 -5.165 1.00 0.00 H new ATOM 0 HG21 ILE B 36 80.364 15.326 -3.916 1.00 0.00 H new ATOM 0 HG22 ILE B 36 79.408 15.822 -5.333 1.00 0.00 H new ATOM 0 HG23 ILE B 36 78.755 14.619 -4.195 1.00 0.00 H new ATOM 0 HD11 ILE B 36 82.125 12.199 -3.087 1.00 0.00 H new ATOM 0 HD12 ILE B 36 82.725 13.232 -4.406 1.00 0.00 H new ATOM 0 HD13 ILE B 36 81.682 13.922 -3.139 1.00 0.00 H new ATOM 2050 N ASN B 37 79.621 15.180 -8.188 1.00 0.00 N ATOM 2051 CA ASN B 37 79.168 16.360 -8.982 1.00 0.00 C ATOM 2052 C ASN B 37 78.011 15.973 -9.909 1.00 0.00 C ATOM 2053 O ASN B 37 77.069 16.720 -10.081 1.00 0.00 O ATOM 2054 CB ASN B 37 80.332 16.884 -9.824 1.00 0.00 C ATOM 2055 CG ASN B 37 81.375 17.532 -8.912 1.00 0.00 C ATOM 2056 OD1 ASN B 37 82.418 17.955 -9.369 1.00 0.00 O ATOM 2057 ND2 ASN B 37 81.139 17.628 -7.632 1.00 0.00 N ATOM 0 H ASN B 37 80.593 14.906 -8.334 1.00 0.00 H new ATOM 0 HA ASN B 37 78.826 17.133 -8.294 1.00 0.00 H new ATOM 0 HB2 ASN B 37 80.784 16.067 -10.387 1.00 0.00 H new ATOM 0 HB3 ASN B 37 79.970 17.610 -10.552 1.00 0.00 H new ATOM 0 HD21 ASN B 37 81.830 18.058 -7.017 1.00 0.00 H new ATOM 0 HD22 ASN B 37 80.264 17.273 -7.247 1.00 0.00 H new ATOM 2064 N ASN B 38 78.073 14.818 -10.510 1.00 0.00 N ATOM 2065 CA ASN B 38 76.973 14.397 -11.427 1.00 0.00 C ATOM 2066 C ASN B 38 75.751 13.948 -10.622 1.00 0.00 C ATOM 2067 O ASN B 38 74.623 14.250 -10.962 1.00 0.00 O ATOM 2068 CB ASN B 38 77.453 13.241 -12.305 1.00 0.00 C ATOM 2069 CG ASN B 38 78.489 13.752 -13.306 1.00 0.00 C ATOM 2070 OD1 ASN B 38 78.556 14.934 -13.579 1.00 0.00 O ATOM 2071 ND2 ASN B 38 79.307 12.905 -13.868 1.00 0.00 N ATOM 0 H ASN B 38 78.835 14.148 -10.408 1.00 0.00 H new ATOM 0 HA ASN B 38 76.694 15.245 -12.052 1.00 0.00 H new ATOM 0 HB2 ASN B 38 77.888 12.457 -11.685 1.00 0.00 H new ATOM 0 HB3 ASN B 38 76.609 12.798 -12.834 1.00 0.00 H new ATOM 0 HD21 ASN B 38 80.003 13.235 -14.537 1.00 0.00 H new ATOM 0 HD22 ASN B 38 79.251 11.913 -13.639 1.00 0.00 H new ATOM 2078 N GLU B 39 75.967 13.207 -9.569 1.00 0.00 N ATOM 2079 CA GLU B 39 74.821 12.705 -8.751 1.00 0.00 C ATOM 2080 C GLU B 39 74.449 13.710 -7.660 1.00 0.00 C ATOM 2081 O GLU B 39 73.445 14.389 -7.751 1.00 0.00 O ATOM 2082 CB GLU B 39 75.204 11.377 -8.100 1.00 0.00 C ATOM 2083 CG GLU B 39 75.298 10.289 -9.170 1.00 0.00 C ATOM 2084 CD GLU B 39 75.681 8.962 -8.517 1.00 0.00 C ATOM 2085 OE1 GLU B 39 76.030 8.978 -7.348 1.00 0.00 O ATOM 2086 OE2 GLU B 39 75.617 7.950 -9.195 1.00 0.00 O ATOM 0 H GLU B 39 76.890 12.926 -9.238 1.00 0.00 H new ATOM 0 HA GLU B 39 73.962 12.568 -9.408 1.00 0.00 H new ATOM 0 HB2 GLU B 39 76.158 11.476 -7.583 1.00 0.00 H new ATOM 0 HB3 GLU B 39 74.462 11.101 -7.350 1.00 0.00 H new ATOM 0 HG2 GLU B 39 74.344 10.190 -9.687 1.00 0.00 H new ATOM 0 HG3 GLU B 39 76.040 10.565 -9.920 1.00 0.00 H new ATOM 2093 N LEU B 40 75.231 13.798 -6.617 1.00 0.00 N ATOM 2094 CA LEU B 40 74.894 14.746 -5.512 1.00 0.00 C ATOM 2095 C LEU B 40 75.580 16.093 -5.741 1.00 0.00 C ATOM 2096 O LEU B 40 76.757 16.259 -5.489 1.00 0.00 O ATOM 2097 CB LEU B 40 75.367 14.163 -4.176 1.00 0.00 C ATOM 2098 CG LEU B 40 74.681 12.816 -3.908 1.00 0.00 C ATOM 2099 CD1 LEU B 40 75.188 12.257 -2.576 1.00 0.00 C ATOM 2100 CD2 LEU B 40 73.152 12.995 -3.843 1.00 0.00 C ATOM 0 H LEU B 40 76.085 13.257 -6.481 1.00 0.00 H new ATOM 0 HA LEU B 40 73.814 14.893 -5.493 1.00 0.00 H new ATOM 0 HB2 LEU B 40 76.449 14.031 -4.192 1.00 0.00 H new ATOM 0 HB3 LEU B 40 75.143 14.860 -3.368 1.00 0.00 H new ATOM 0 HG LEU B 40 74.916 12.126 -4.718 1.00 0.00 H new ATOM 0 HD11 LEU B 40 74.706 11.300 -2.376 1.00 0.00 H new ATOM 0 HD12 LEU B 40 76.268 12.116 -2.628 1.00 0.00 H new ATOM 0 HD13 LEU B 40 74.951 12.956 -1.774 1.00 0.00 H new ATOM 0 HD21 LEU B 40 72.681 12.031 -3.652 1.00 0.00 H new ATOM 0 HD22 LEU B 40 72.901 13.687 -3.039 1.00 0.00 H new ATOM 0 HD23 LEU B 40 72.792 13.394 -4.791 1.00 0.00 H new ATOM 2112 N SER B 41 74.836 17.062 -6.198 1.00 0.00 N ATOM 2113 CA SER B 41 75.405 18.422 -6.432 1.00 0.00 C ATOM 2114 C SER B 41 74.368 19.456 -5.995 1.00 0.00 C ATOM 2115 O SER B 41 74.659 20.381 -5.262 1.00 0.00 O ATOM 2116 CB SER B 41 75.711 18.604 -7.919 1.00 0.00 C ATOM 2117 OG SER B 41 74.607 18.144 -8.688 1.00 0.00 O ATOM 0 H SER B 41 73.845 16.969 -6.422 1.00 0.00 H new ATOM 0 HA SER B 41 76.327 18.546 -5.864 1.00 0.00 H new ATOM 0 HB2 SER B 41 75.907 19.654 -8.135 1.00 0.00 H new ATOM 0 HB3 SER B 41 76.611 18.050 -8.187 1.00 0.00 H new ATOM 0 HG SER B 41 74.801 18.261 -9.641 1.00 0.00 H new ATOM 2123 N HIS B 42 73.155 19.298 -6.449 1.00 0.00 N ATOM 2124 CA HIS B 42 72.076 20.256 -6.082 1.00 0.00 C ATOM 2125 C HIS B 42 71.484 19.878 -4.722 1.00 0.00 C ATOM 2126 O HIS B 42 70.586 20.532 -4.231 1.00 0.00 O ATOM 2127 CB HIS B 42 70.974 20.206 -7.143 1.00 0.00 C ATOM 2128 CG HIS B 42 69.933 21.245 -6.834 1.00 0.00 C ATOM 2129 ND1 HIS B 42 70.072 22.570 -7.225 1.00 0.00 N ATOM 2130 CD2 HIS B 42 68.732 21.173 -6.172 1.00 0.00 C ATOM 2131 CE1 HIS B 42 68.981 23.234 -6.799 1.00 0.00 C ATOM 2132 NE2 HIS B 42 68.137 22.428 -6.153 1.00 0.00 N ATOM 0 H HIS B 42 72.864 18.539 -7.064 1.00 0.00 H new ATOM 0 HA HIS B 42 72.492 21.262 -6.026 1.00 0.00 H new ATOM 0 HB2 HIS B 42 71.398 20.383 -8.131 1.00 0.00 H new ATOM 0 HB3 HIS B 42 70.519 19.216 -7.164 1.00 0.00 H new ATOM 0 HD2 HIS B 42 68.314 20.279 -5.734 1.00 0.00 H new ATOM 0 HE1 HIS B 42 68.810 24.288 -6.960 1.00 0.00 H new ATOM 0 HE2 HIS B 42 67.242 22.680 -5.733 1.00 0.00 H new ATOM 2141 N PHE B 43 71.990 18.839 -4.097 1.00 0.00 N ATOM 2142 CA PHE B 43 71.475 18.422 -2.751 1.00 0.00 C ATOM 2143 C PHE B 43 72.603 18.622 -1.728 1.00 0.00 C ATOM 2144 O PHE B 43 72.382 18.624 -0.534 1.00 0.00 O ATOM 2145 CB PHE B 43 71.082 16.925 -2.805 1.00 0.00 C ATOM 2146 CG PHE B 43 69.590 16.762 -3.037 1.00 0.00 C ATOM 2147 CD1 PHE B 43 68.951 17.477 -4.058 1.00 0.00 C ATOM 2148 CD2 PHE B 43 68.848 15.885 -2.230 1.00 0.00 C ATOM 2149 CE1 PHE B 43 67.574 17.316 -4.272 1.00 0.00 C ATOM 2150 CE2 PHE B 43 67.476 15.723 -2.444 1.00 0.00 C ATOM 2151 CZ PHE B 43 66.838 16.437 -3.464 1.00 0.00 C ATOM 0 H PHE B 43 72.743 18.258 -4.465 1.00 0.00 H new ATOM 0 HA PHE B 43 70.603 19.013 -2.470 1.00 0.00 H new ATOM 0 HB2 PHE B 43 71.634 16.429 -3.603 1.00 0.00 H new ATOM 0 HB3 PHE B 43 71.364 16.437 -1.872 1.00 0.00 H new ATOM 0 HD1 PHE B 43 69.519 18.153 -4.681 1.00 0.00 H new ATOM 0 HD2 PHE B 43 69.339 15.334 -1.441 1.00 0.00 H new ATOM 0 HE1 PHE B 43 67.081 17.868 -5.058 1.00 0.00 H new ATOM 0 HE2 PHE B 43 66.909 15.047 -1.822 1.00 0.00 H new ATOM 0 HZ PHE B 43 65.778 16.311 -3.629 1.00 0.00 H new ATOM 2161 N LEU B 44 73.816 18.773 -2.202 1.00 0.00 N ATOM 2162 CA LEU B 44 74.988 18.959 -1.288 1.00 0.00 C ATOM 2163 C LEU B 44 75.849 20.117 -1.799 1.00 0.00 C ATOM 2164 O LEU B 44 75.848 20.434 -2.972 1.00 0.00 O ATOM 2165 CB LEU B 44 75.816 17.666 -1.270 1.00 0.00 C ATOM 2166 CG LEU B 44 77.033 17.809 -0.342 1.00 0.00 C ATOM 2167 CD1 LEU B 44 76.578 18.083 1.102 1.00 0.00 C ATOM 2168 CD2 LEU B 44 77.842 16.508 -0.387 1.00 0.00 C ATOM 0 H LEU B 44 74.047 18.775 -3.195 1.00 0.00 H new ATOM 0 HA LEU B 44 74.643 19.186 -0.279 1.00 0.00 H new ATOM 0 HB2 LEU B 44 75.194 16.835 -0.936 1.00 0.00 H new ATOM 0 HB3 LEU B 44 76.149 17.428 -2.280 1.00 0.00 H new ATOM 0 HG LEU B 44 77.646 18.646 -0.677 1.00 0.00 H new ATOM 0 HD11 LEU B 44 77.452 18.182 1.746 1.00 0.00 H new ATOM 0 HD12 LEU B 44 75.999 19.006 1.132 1.00 0.00 H new ATOM 0 HD13 LEU B 44 75.961 17.256 1.452 1.00 0.00 H new ATOM 0 HD21 LEU B 44 78.709 16.596 0.268 1.00 0.00 H new ATOM 0 HD22 LEU B 44 77.218 15.679 -0.053 1.00 0.00 H new ATOM 0 HD23 LEU B 44 78.175 16.322 -1.408 1.00 0.00 H new ATOM 2180 N GLU B 45 76.587 20.746 -0.927 1.00 0.00 N ATOM 2181 CA GLU B 45 77.452 21.879 -1.360 1.00 0.00 C ATOM 2182 C GLU B 45 78.452 21.377 -2.404 1.00 0.00 C ATOM 2183 O GLU B 45 78.973 20.284 -2.305 1.00 0.00 O ATOM 2184 CB GLU B 45 78.207 22.434 -0.151 1.00 0.00 C ATOM 2185 CG GLU B 45 77.218 23.125 0.792 1.00 0.00 C ATOM 2186 CD GLU B 45 76.693 24.403 0.138 1.00 0.00 C ATOM 2187 OE1 GLU B 45 77.379 24.931 -0.722 1.00 0.00 O ATOM 2188 OE2 GLU B 45 75.613 24.832 0.506 1.00 0.00 O ATOM 0 H GLU B 45 76.629 20.524 0.068 1.00 0.00 H new ATOM 0 HA GLU B 45 76.837 22.667 -1.793 1.00 0.00 H new ATOM 0 HB2 GLU B 45 78.722 21.628 0.371 1.00 0.00 H new ATOM 0 HB3 GLU B 45 78.970 23.141 -0.478 1.00 0.00 H new ATOM 0 HG2 GLU B 45 76.389 22.455 1.021 1.00 0.00 H new ATOM 0 HG3 GLU B 45 77.706 23.362 1.737 1.00 0.00 H new ATOM 2195 N GLU B 46 78.709 22.161 -3.413 1.00 0.00 N ATOM 2196 CA GLU B 46 79.659 21.733 -4.479 1.00 0.00 C ATOM 2197 C GLU B 46 81.068 21.590 -3.895 1.00 0.00 C ATOM 2198 O GLU B 46 81.443 22.288 -2.974 1.00 0.00 O ATOM 2199 CB GLU B 46 79.672 22.784 -5.591 1.00 0.00 C ATOM 2200 CG GLU B 46 78.337 22.749 -6.338 1.00 0.00 C ATOM 2201 CD GLU B 46 78.276 23.909 -7.333 1.00 0.00 C ATOM 2202 OE1 GLU B 46 77.933 25.003 -6.916 1.00 0.00 O ATOM 2203 OE2 GLU B 46 78.575 23.685 -8.495 1.00 0.00 O ATOM 0 H GLU B 46 78.300 23.086 -3.547 1.00 0.00 H new ATOM 0 HA GLU B 46 79.341 20.772 -4.883 1.00 0.00 H new ATOM 0 HB2 GLU B 46 79.839 23.775 -5.168 1.00 0.00 H new ATOM 0 HB3 GLU B 46 80.493 22.589 -6.281 1.00 0.00 H new ATOM 0 HG2 GLU B 46 78.227 21.800 -6.863 1.00 0.00 H new ATOM 0 HG3 GLU B 46 77.511 22.819 -5.631 1.00 0.00 H new ATOM 2210 N ILE B 47 81.851 20.685 -4.423 1.00 0.00 N ATOM 2211 CA ILE B 47 83.233 20.495 -3.896 1.00 0.00 C ATOM 2212 C ILE B 47 84.096 21.688 -4.313 1.00 0.00 C ATOM 2213 O ILE B 47 84.151 22.052 -5.472 1.00 0.00 O ATOM 2214 CB ILE B 47 83.826 19.210 -4.483 1.00 0.00 C ATOM 2215 CG1 ILE B 47 82.879 18.026 -4.231 1.00 0.00 C ATOM 2216 CG2 ILE B 47 85.181 18.920 -3.838 1.00 0.00 C ATOM 2217 CD1 ILE B 47 82.498 17.948 -2.747 1.00 0.00 C ATOM 0 H ILE B 47 81.593 20.071 -5.195 1.00 0.00 H new ATOM 0 HA ILE B 47 83.207 20.421 -2.809 1.00 0.00 H new ATOM 0 HB ILE B 47 83.955 19.345 -5.557 1.00 0.00 H new ATOM 0 HG12 ILE B 47 81.980 18.136 -4.838 1.00 0.00 H new ATOM 0 HG13 ILE B 47 83.359 17.097 -4.538 1.00 0.00 H new ATOM 0 HG21 ILE B 47 85.597 18.005 -4.260 1.00 0.00 H new ATOM 0 HG22 ILE B 47 85.861 19.750 -4.031 1.00 0.00 H new ATOM 0 HG23 ILE B 47 85.053 18.798 -2.762 1.00 0.00 H new ATOM 0 HD11 ILE B 47 81.827 17.104 -2.587 1.00 0.00 H new ATOM 0 HD12 ILE B 47 83.398 17.815 -2.147 1.00 0.00 H new ATOM 0 HD13 ILE B 47 81.998 18.870 -2.451 1.00 0.00 H new ATOM 2229 N LYS B 48 84.765 22.307 -3.374 1.00 0.00 N ATOM 2230 CA LYS B 48 85.620 23.487 -3.710 1.00 0.00 C ATOM 2231 C LYS B 48 87.070 23.045 -3.935 1.00 0.00 C ATOM 2232 O LYS B 48 87.562 23.050 -5.045 1.00 0.00 O ATOM 2233 CB LYS B 48 85.570 24.489 -2.553 1.00 0.00 C ATOM 2234 CG LYS B 48 84.128 24.960 -2.351 1.00 0.00 C ATOM 2235 CD LYS B 48 84.073 25.962 -1.196 1.00 0.00 C ATOM 2236 CE LYS B 48 82.631 26.434 -0.994 1.00 0.00 C ATOM 2237 NZ LYS B 48 82.605 27.541 0.004 1.00 0.00 N ATOM 0 H LYS B 48 84.756 22.046 -2.388 1.00 0.00 H new ATOM 0 HA LYS B 48 85.246 23.950 -4.623 1.00 0.00 H new ATOM 0 HB2 LYS B 48 85.944 24.026 -1.640 1.00 0.00 H new ATOM 0 HB3 LYS B 48 86.216 25.341 -2.767 1.00 0.00 H new ATOM 0 HG2 LYS B 48 83.754 25.422 -3.265 1.00 0.00 H new ATOM 0 HG3 LYS B 48 83.483 24.108 -2.138 1.00 0.00 H new ATOM 0 HD2 LYS B 48 84.446 25.500 -0.282 1.00 0.00 H new ATOM 0 HD3 LYS B 48 84.719 26.814 -1.409 1.00 0.00 H new ATOM 0 HE2 LYS B 48 82.213 26.774 -1.941 1.00 0.00 H new ATOM 0 HE3 LYS B 48 82.011 25.606 -0.651 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 81.625 27.862 0.141 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 82.988 27.201 0.909 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 83.183 28.333 -0.341 1.00 0.00 H new ATOM 2251 N GLU B 49 87.763 22.681 -2.880 1.00 0.00 N ATOM 2252 CA GLU B 49 89.196 22.257 -3.008 1.00 0.00 C ATOM 2253 C GLU B 49 89.330 20.754 -2.751 1.00 0.00 C ATOM 2254 O GLU B 49 88.551 20.161 -2.031 1.00 0.00 O ATOM 2255 CB GLU B 49 90.033 23.009 -1.973 1.00 0.00 C ATOM 2256 CG GLU B 49 89.974 24.511 -2.260 1.00 0.00 C ATOM 2257 CD GLU B 49 90.812 25.261 -1.223 1.00 0.00 C ATOM 2258 OE1 GLU B 49 91.347 24.611 -0.340 1.00 0.00 O ATOM 2259 OE2 GLU B 49 90.906 26.472 -1.330 1.00 0.00 O ATOM 0 H GLU B 49 87.394 22.659 -1.929 1.00 0.00 H new ATOM 0 HA GLU B 49 89.543 22.482 -4.016 1.00 0.00 H new ATOM 0 HB2 GLU B 49 89.659 22.805 -0.970 1.00 0.00 H new ATOM 0 HB3 GLU B 49 91.066 22.663 -2.004 1.00 0.00 H new ATOM 0 HG2 GLU B 49 90.349 24.716 -3.263 1.00 0.00 H new ATOM 0 HG3 GLU B 49 88.941 24.858 -2.229 1.00 0.00 H new ATOM 2266 N GLN B 50 90.325 20.137 -3.331 1.00 0.00 N ATOM 2267 CA GLN B 50 90.532 18.676 -3.119 1.00 0.00 C ATOM 2268 C GLN B 50 90.753 18.416 -1.625 1.00 0.00 C ATOM 2269 O GLN B 50 90.276 17.446 -1.072 1.00 0.00 O ATOM 2270 CB GLN B 50 91.755 18.213 -3.921 1.00 0.00 C ATOM 2271 CG GLN B 50 91.978 16.711 -3.718 1.00 0.00 C ATOM 2272 CD GLN B 50 93.198 16.262 -4.525 1.00 0.00 C ATOM 2273 OE1 GLN B 50 93.075 15.878 -5.672 1.00 0.00 O ATOM 2274 NE2 GLN B 50 94.378 16.290 -3.970 1.00 0.00 N ATOM 0 H GLN B 50 91.006 20.585 -3.945 1.00 0.00 H new ATOM 0 HA GLN B 50 89.657 18.121 -3.457 1.00 0.00 H new ATOM 0 HB2 GLN B 50 91.608 18.427 -4.980 1.00 0.00 H new ATOM 0 HB3 GLN B 50 92.639 18.766 -3.604 1.00 0.00 H new ATOM 0 HG2 GLN B 50 92.129 16.495 -2.660 1.00 0.00 H new ATOM 0 HG3 GLN B 50 91.095 16.156 -4.034 1.00 0.00 H new ATOM 0 HE21 GLN B 50 94.481 16.612 -3.008 1.00 0.00 H new ATOM 0 HE22 GLN B 50 95.197 15.990 -4.498 1.00 0.00 H new ATOM 2283 N GLU B 51 91.485 19.273 -0.970 1.00 0.00 N ATOM 2284 CA GLU B 51 91.757 19.073 0.485 1.00 0.00 C ATOM 2285 C GLU B 51 90.452 18.741 1.209 1.00 0.00 C ATOM 2286 O GLU B 51 90.423 17.928 2.111 1.00 0.00 O ATOM 2287 CB GLU B 51 92.350 20.357 1.074 1.00 0.00 C ATOM 2288 CG GLU B 51 92.681 20.144 2.554 1.00 0.00 C ATOM 2289 CD GLU B 51 93.271 21.430 3.134 1.00 0.00 C ATOM 2290 OE1 GLU B 51 93.564 22.325 2.358 1.00 0.00 O ATOM 2291 OE2 GLU B 51 93.420 21.498 4.343 1.00 0.00 O ATOM 0 H GLU B 51 91.909 20.106 -1.379 1.00 0.00 H new ATOM 0 HA GLU B 51 92.463 18.252 0.611 1.00 0.00 H new ATOM 0 HB2 GLU B 51 93.250 20.637 0.527 1.00 0.00 H new ATOM 0 HB3 GLU B 51 91.642 21.179 0.965 1.00 0.00 H new ATOM 0 HG2 GLU B 51 91.781 19.864 3.102 1.00 0.00 H new ATOM 0 HG3 GLU B 51 93.390 19.324 2.665 1.00 0.00 H new ATOM 2298 N VAL B 52 89.371 19.340 0.810 1.00 0.00 N ATOM 2299 CA VAL B 52 88.069 19.036 1.460 1.00 0.00 C ATOM 2300 C VAL B 52 87.685 17.592 1.120 1.00 0.00 C ATOM 2301 O VAL B 52 87.103 16.884 1.919 1.00 0.00 O ATOM 2302 CB VAL B 52 87.001 20.004 0.940 1.00 0.00 C ATOM 2303 CG1 VAL B 52 85.616 19.565 1.426 1.00 0.00 C ATOM 2304 CG2 VAL B 52 87.302 21.414 1.458 1.00 0.00 C ATOM 0 H VAL B 52 89.331 20.030 0.059 1.00 0.00 H new ATOM 0 HA VAL B 52 88.147 19.151 2.541 1.00 0.00 H new ATOM 0 HB VAL B 52 87.013 20.002 -0.150 1.00 0.00 H new ATOM 0 HG11 VAL B 52 84.863 20.258 1.052 1.00 0.00 H new ATOM 0 HG12 VAL B 52 85.402 18.562 1.056 1.00 0.00 H new ATOM 0 HG13 VAL B 52 85.597 19.562 2.516 1.00 0.00 H new ATOM 0 HG21 VAL B 52 86.544 22.106 1.090 1.00 0.00 H new ATOM 0 HG22 VAL B 52 87.292 21.411 2.548 1.00 0.00 H new ATOM 0 HG23 VAL B 52 88.284 21.730 1.105 1.00 0.00 H new ATOM 2314 N VAL B 53 88.029 17.154 -0.062 1.00 0.00 N ATOM 2315 CA VAL B 53 87.712 15.752 -0.465 1.00 0.00 C ATOM 2316 C VAL B 53 88.598 14.780 0.321 1.00 0.00 C ATOM 2317 O VAL B 53 88.155 13.738 0.764 1.00 0.00 O ATOM 2318 CB VAL B 53 87.955 15.573 -1.971 1.00 0.00 C ATOM 2319 CG1 VAL B 53 87.861 14.087 -2.344 1.00 0.00 C ATOM 2320 CG2 VAL B 53 86.907 16.371 -2.751 1.00 0.00 C ATOM 0 H VAL B 53 88.516 17.707 -0.767 1.00 0.00 H new ATOM 0 HA VAL B 53 86.664 15.544 -0.247 1.00 0.00 H new ATOM 0 HB VAL B 53 88.951 15.937 -2.222 1.00 0.00 H new ATOM 0 HG11 VAL B 53 88.034 13.969 -3.414 1.00 0.00 H new ATOM 0 HG12 VAL B 53 88.613 13.525 -1.790 1.00 0.00 H new ATOM 0 HG13 VAL B 53 86.869 13.711 -2.094 1.00 0.00 H new ATOM 0 HG21 VAL B 53 87.077 16.246 -3.820 1.00 0.00 H new ATOM 0 HG22 VAL B 53 85.911 16.009 -2.497 1.00 0.00 H new ATOM 0 HG23 VAL B 53 86.987 17.427 -2.492 1.00 0.00 H new ATOM 2330 N ASP B 54 89.853 15.105 0.483 1.00 0.00 N ATOM 2331 CA ASP B 54 90.769 14.191 1.224 1.00 0.00 C ATOM 2332 C ASP B 54 90.255 13.992 2.648 1.00 0.00 C ATOM 2333 O ASP B 54 90.274 12.900 3.179 1.00 0.00 O ATOM 2334 CB ASP B 54 92.175 14.796 1.265 1.00 0.00 C ATOM 2335 CG ASP B 54 92.790 14.755 -0.136 1.00 0.00 C ATOM 2336 OD1 ASP B 54 92.337 13.956 -0.938 1.00 0.00 O ATOM 2337 OD2 ASP B 54 93.704 15.526 -0.382 1.00 0.00 O ATOM 0 H ASP B 54 90.282 15.962 0.135 1.00 0.00 H new ATOM 0 HA ASP B 54 90.805 13.227 0.716 1.00 0.00 H new ATOM 0 HB2 ASP B 54 92.130 15.824 1.624 1.00 0.00 H new ATOM 0 HB3 ASP B 54 92.801 14.242 1.965 1.00 0.00 H new ATOM 2342 N LYS B 55 89.775 15.035 3.263 1.00 0.00 N ATOM 2343 CA LYS B 55 89.236 14.892 4.642 1.00 0.00 C ATOM 2344 C LYS B 55 88.064 13.916 4.597 1.00 0.00 C ATOM 2345 O LYS B 55 87.981 12.978 5.364 1.00 0.00 O ATOM 2346 CB LYS B 55 88.758 16.256 5.147 1.00 0.00 C ATOM 2347 CG LYS B 55 88.273 16.131 6.593 1.00 0.00 C ATOM 2348 CD LYS B 55 87.797 17.498 7.088 1.00 0.00 C ATOM 2349 CE LYS B 55 87.341 17.390 8.545 1.00 0.00 C ATOM 2350 NZ LYS B 55 86.060 16.632 8.613 1.00 0.00 N ATOM 0 H LYS B 55 89.733 15.976 2.872 1.00 0.00 H new ATOM 0 HA LYS B 55 90.007 14.519 5.315 1.00 0.00 H new ATOM 0 HB2 LYS B 55 89.569 16.981 5.087 1.00 0.00 H new ATOM 0 HB3 LYS B 55 87.952 16.627 4.514 1.00 0.00 H new ATOM 0 HG2 LYS B 55 87.461 15.406 6.655 1.00 0.00 H new ATOM 0 HG3 LYS B 55 89.078 15.762 7.228 1.00 0.00 H new ATOM 0 HD2 LYS B 55 88.603 18.227 7.002 1.00 0.00 H new ATOM 0 HD3 LYS B 55 86.976 17.855 6.466 1.00 0.00 H new ATOM 0 HE2 LYS B 55 88.104 16.888 9.139 1.00 0.00 H new ATOM 0 HE3 LYS B 55 87.209 18.385 8.970 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 85.656 16.718 9.568 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 85.390 17.019 7.918 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 86.238 15.630 8.401 1.00 0.00 H new ATOM 2364 N VAL B 56 87.160 14.141 3.684 1.00 0.00 N ATOM 2365 CA VAL B 56 85.980 13.242 3.550 1.00 0.00 C ATOM 2366 C VAL B 56 86.463 11.830 3.222 1.00 0.00 C ATOM 2367 O VAL B 56 85.958 10.853 3.739 1.00 0.00 O ATOM 2368 CB VAL B 56 85.079 13.756 2.421 1.00 0.00 C ATOM 2369 CG1 VAL B 56 83.987 12.725 2.109 1.00 0.00 C ATOM 2370 CG2 VAL B 56 84.431 15.074 2.851 1.00 0.00 C ATOM 0 H VAL B 56 87.189 14.915 3.020 1.00 0.00 H new ATOM 0 HA VAL B 56 85.416 13.226 4.483 1.00 0.00 H new ATOM 0 HB VAL B 56 85.681 13.917 1.527 1.00 0.00 H new ATOM 0 HG11 VAL B 56 83.352 13.099 1.306 1.00 0.00 H new ATOM 0 HG12 VAL B 56 84.449 11.788 1.799 1.00 0.00 H new ATOM 0 HG13 VAL B 56 83.382 12.554 3.000 1.00 0.00 H new ATOM 0 HG21 VAL B 56 83.790 15.442 2.050 1.00 0.00 H new ATOM 0 HG22 VAL B 56 83.834 14.910 3.748 1.00 0.00 H new ATOM 0 HG23 VAL B 56 85.207 15.810 3.061 1.00 0.00 H new ATOM 2380 N MET B 57 87.444 11.715 2.371 1.00 0.00 N ATOM 2381 CA MET B 57 87.965 10.367 2.019 1.00 0.00 C ATOM 2382 C MET B 57 88.550 9.721 3.275 1.00 0.00 C ATOM 2383 O MET B 57 88.304 8.569 3.567 1.00 0.00 O ATOM 2384 CB MET B 57 89.054 10.504 0.948 1.00 0.00 C ATOM 2385 CG MET B 57 89.504 9.115 0.481 1.00 0.00 C ATOM 2386 SD MET B 57 88.140 8.304 -0.394 1.00 0.00 S ATOM 2387 CE MET B 57 89.133 7.449 -1.643 1.00 0.00 C ATOM 0 H MET B 57 87.906 12.496 1.905 1.00 0.00 H new ATOM 0 HA MET B 57 87.159 9.745 1.629 1.00 0.00 H new ATOM 0 HB2 MET B 57 88.674 11.076 0.102 1.00 0.00 H new ATOM 0 HB3 MET B 57 89.904 11.055 1.350 1.00 0.00 H new ATOM 0 HG2 MET B 57 90.370 9.203 -0.175 1.00 0.00 H new ATOM 0 HG3 MET B 57 89.811 8.513 1.336 1.00 0.00 H new ATOM 0 HE1 MET B 57 88.478 6.878 -2.300 1.00 0.00 H new ATOM 0 HE2 MET B 57 89.688 8.181 -2.230 1.00 0.00 H new ATOM 0 HE3 MET B 57 89.833 6.773 -1.151 1.00 0.00 H new ATOM 2397 N GLU B 58 89.321 10.463 4.020 1.00 0.00 N ATOM 2398 CA GLU B 58 89.924 9.901 5.262 1.00 0.00 C ATOM 2399 C GLU B 58 88.806 9.459 6.201 1.00 0.00 C ATOM 2400 O GLU B 58 88.803 8.356 6.712 1.00 0.00 O ATOM 2401 CB GLU B 58 90.773 10.974 5.951 1.00 0.00 C ATOM 2402 CG GLU B 58 91.424 10.391 7.210 1.00 0.00 C ATOM 2403 CD GLU B 58 92.310 11.452 7.862 1.00 0.00 C ATOM 2404 OE1 GLU B 58 92.522 12.482 7.242 1.00 0.00 O ATOM 2405 OE2 GLU B 58 92.768 11.216 8.967 1.00 0.00 O ATOM 0 H GLU B 58 89.560 11.435 3.823 1.00 0.00 H new ATOM 0 HA GLU B 58 90.555 9.049 5.011 1.00 0.00 H new ATOM 0 HB2 GLU B 58 91.541 11.337 5.268 1.00 0.00 H new ATOM 0 HB3 GLU B 58 90.151 11.829 6.215 1.00 0.00 H new ATOM 0 HG2 GLU B 58 90.656 10.062 7.910 1.00 0.00 H new ATOM 0 HG3 GLU B 58 92.018 9.514 6.953 1.00 0.00 H new ATOM 2412 N THR B 59 87.856 10.317 6.427 1.00 0.00 N ATOM 2413 CA THR B 59 86.725 9.966 7.326 1.00 0.00 C ATOM 2414 C THR B 59 85.862 8.896 6.666 1.00 0.00 C ATOM 2415 O THR B 59 85.386 7.982 7.311 1.00 0.00 O ATOM 2416 CB THR B 59 85.880 11.213 7.596 1.00 0.00 C ATOM 2417 OG1 THR B 59 86.688 12.203 8.215 1.00 0.00 O ATOM 2418 CG2 THR B 59 84.714 10.852 8.520 1.00 0.00 C ATOM 0 H THR B 59 87.813 11.253 6.025 1.00 0.00 H new ATOM 0 HA THR B 59 87.116 9.584 8.269 1.00 0.00 H new ATOM 0 HB THR B 59 85.488 11.598 6.655 1.00 0.00 H new ATOM 0 HG1 THR B 59 87.240 12.645 7.537 1.00 0.00 H new ATOM 0 HG21 THR B 59 84.113 11.741 8.712 1.00 0.00 H new ATOM 0 HG22 THR B 59 84.095 10.091 8.045 1.00 0.00 H new ATOM 0 HG23 THR B 59 85.103 10.467 9.463 1.00 0.00 H new ATOM 2426 N LEU B 60 85.645 9.004 5.385 1.00 0.00 N ATOM 2427 CA LEU B 60 84.803 7.996 4.689 1.00 0.00 C ATOM 2428 C LEU B 60 85.546 6.659 4.633 1.00 0.00 C ATOM 2429 O LEU B 60 84.961 5.607 4.801 1.00 0.00 O ATOM 2430 CB LEU B 60 84.503 8.492 3.268 1.00 0.00 C ATOM 2431 CG LEU B 60 83.632 7.478 2.514 1.00 0.00 C ATOM 2432 CD1 LEU B 60 82.290 7.286 3.243 1.00 0.00 C ATOM 2433 CD2 LEU B 60 83.379 8.000 1.094 1.00 0.00 C ATOM 0 H LEU B 60 86.015 9.747 4.792 1.00 0.00 H new ATOM 0 HA LEU B 60 83.867 7.856 5.229 1.00 0.00 H new ATOM 0 HB2 LEU B 60 83.993 9.455 3.313 1.00 0.00 H new ATOM 0 HB3 LEU B 60 85.436 8.650 2.728 1.00 0.00 H new ATOM 0 HG LEU B 60 84.146 6.518 2.471 1.00 0.00 H new ATOM 0 HD11 LEU B 60 81.680 6.565 2.699 1.00 0.00 H new ATOM 0 HD12 LEU B 60 82.474 6.918 4.252 1.00 0.00 H new ATOM 0 HD13 LEU B 60 81.764 8.239 3.295 1.00 0.00 H new ATOM 0 HD21 LEU B 60 82.761 7.287 0.549 1.00 0.00 H new ATOM 0 HD22 LEU B 60 82.866 8.960 1.145 1.00 0.00 H new ATOM 0 HD23 LEU B 60 84.331 8.124 0.577 1.00 0.00 H new ATOM 2445 N ASP B 61 86.828 6.684 4.381 1.00 0.00 N ATOM 2446 CA ASP B 61 87.602 5.411 4.296 1.00 0.00 C ATOM 2447 C ASP B 61 87.638 4.738 5.670 1.00 0.00 C ATOM 2448 O ASP B 61 88.368 5.140 6.554 1.00 0.00 O ATOM 2449 CB ASP B 61 89.030 5.727 3.845 1.00 0.00 C ATOM 2450 CG ASP B 61 89.743 4.435 3.448 1.00 0.00 C ATOM 2451 OD1 ASP B 61 89.202 3.377 3.718 1.00 0.00 O ATOM 2452 OD2 ASP B 61 90.820 4.526 2.882 1.00 0.00 O ATOM 0 H ASP B 61 87.373 7.533 4.230 1.00 0.00 H new ATOM 0 HA ASP B 61 87.127 4.739 3.581 1.00 0.00 H new ATOM 0 HB2 ASP B 61 89.011 6.417 3.001 1.00 0.00 H new ATOM 0 HB3 ASP B 61 89.575 6.222 4.649 1.00 0.00 H new ATOM 2457 N GLU B 62 86.839 3.725 5.857 1.00 0.00 N ATOM 2458 CA GLU B 62 86.806 3.031 7.175 1.00 0.00 C ATOM 2459 C GLU B 62 88.164 2.397 7.486 1.00 0.00 C ATOM 2460 O GLU B 62 88.627 2.433 8.609 1.00 0.00 O ATOM 2461 CB GLU B 62 85.741 1.934 7.144 1.00 0.00 C ATOM 2462 CG GLU B 62 84.350 2.569 7.110 1.00 0.00 C ATOM 2463 CD GLU B 62 83.287 1.467 7.078 1.00 0.00 C ATOM 2464 OE1 GLU B 62 83.660 0.318 6.908 1.00 0.00 O ATOM 2465 OE2 GLU B 62 82.121 1.791 7.229 1.00 0.00 O ATOM 0 H GLU B 62 86.206 3.347 5.152 1.00 0.00 H new ATOM 0 HA GLU B 62 86.572 3.764 7.947 1.00 0.00 H new ATOM 0 HB2 GLU B 62 85.884 1.300 6.269 1.00 0.00 H new ATOM 0 HB3 GLU B 62 85.838 1.294 8.021 1.00 0.00 H new ATOM 0 HG2 GLU B 62 84.206 3.203 7.985 1.00 0.00 H new ATOM 0 HG3 GLU B 62 84.252 3.209 6.233 1.00 0.00 H new ATOM 2472 N ASP B 63 88.803 1.801 6.511 1.00 0.00 N ATOM 2473 CA ASP B 63 90.126 1.145 6.762 1.00 0.00 C ATOM 2474 C ASP B 63 91.280 2.064 6.346 1.00 0.00 C ATOM 2475 O ASP B 63 92.435 1.732 6.524 1.00 0.00 O ATOM 2476 CB ASP B 63 90.196 -0.168 5.973 1.00 0.00 C ATOM 2477 CG ASP B 63 89.824 0.079 4.511 1.00 0.00 C ATOM 2478 OD1 ASP B 63 89.197 1.088 4.242 1.00 0.00 O ATOM 2479 OD2 ASP B 63 90.161 -0.755 3.687 1.00 0.00 O ATOM 0 H ASP B 63 88.466 1.739 5.550 1.00 0.00 H new ATOM 0 HA ASP B 63 90.221 0.942 7.829 1.00 0.00 H new ATOM 0 HB2 ASP B 63 91.201 -0.586 6.035 1.00 0.00 H new ATOM 0 HB3 ASP B 63 89.518 -0.901 6.410 1.00 0.00 H new ATOM 2484 N GLY B 64 90.990 3.218 5.806 1.00 0.00 N ATOM 2485 CA GLY B 64 92.091 4.143 5.401 1.00 0.00 C ATOM 2486 C GLY B 64 92.902 3.531 4.254 1.00 0.00 C ATOM 2487 O GLY B 64 94.075 3.805 4.100 1.00 0.00 O ATOM 0 H GLY B 64 90.045 3.559 5.628 1.00 0.00 H new ATOM 0 HA2 GLY B 64 91.675 5.101 5.091 1.00 0.00 H new ATOM 0 HA3 GLY B 64 92.743 4.339 6.252 1.00 0.00 H new ATOM 2491 N ASP B 65 92.293 2.697 3.456 1.00 0.00 N ATOM 2492 CA ASP B 65 93.038 2.061 2.329 1.00 0.00 C ATOM 2493 C ASP B 65 93.297 3.086 1.219 1.00 0.00 C ATOM 2494 O ASP B 65 93.983 2.803 0.256 1.00 0.00 O ATOM 2495 CB ASP B 65 92.205 0.911 1.763 1.00 0.00 C ATOM 2496 CG ASP B 65 90.914 1.470 1.162 1.00 0.00 C ATOM 2497 OD1 ASP B 65 90.550 2.578 1.520 1.00 0.00 O ATOM 2498 OD2 ASP B 65 90.312 0.782 0.354 1.00 0.00 O ATOM 0 H ASP B 65 91.312 2.428 3.534 1.00 0.00 H new ATOM 0 HA ASP B 65 93.993 1.688 2.700 1.00 0.00 H new ATOM 0 HB2 ASP B 65 92.772 0.376 1.001 1.00 0.00 H new ATOM 0 HB3 ASP B 65 91.973 0.193 2.550 1.00 0.00 H new ATOM 2503 N GLY B 66 92.765 4.273 1.339 1.00 0.00 N ATOM 2504 CA GLY B 66 93.000 5.302 0.281 1.00 0.00 C ATOM 2505 C GLY B 66 92.194 4.952 -0.971 1.00 0.00 C ATOM 2506 O GLY B 66 92.533 5.342 -2.070 1.00 0.00 O ATOM 0 H GLY B 66 92.181 4.575 2.119 1.00 0.00 H new ATOM 0 HA2 GLY B 66 92.710 6.287 0.648 1.00 0.00 H new ATOM 0 HA3 GLY B 66 94.062 5.352 0.039 1.00 0.00 H new ATOM 2510 N GLU B 67 91.131 4.215 -0.813 1.00 0.00 N ATOM 2511 CA GLU B 67 90.291 3.828 -1.981 1.00 0.00 C ATOM 2512 C GLU B 67 88.901 3.476 -1.454 1.00 0.00 C ATOM 2513 O GLU B 67 88.752 3.156 -0.291 1.00 0.00 O ATOM 2514 CB GLU B 67 90.923 2.609 -2.666 1.00 0.00 C ATOM 2515 CG GLU B 67 90.184 2.282 -3.973 1.00 0.00 C ATOM 2516 CD GLU B 67 88.899 1.498 -3.680 1.00 0.00 C ATOM 2517 OE1 GLU B 67 88.810 0.906 -2.617 1.00 0.00 O ATOM 2518 OE2 GLU B 67 88.023 1.502 -4.530 1.00 0.00 O ATOM 0 H GLU B 67 90.804 3.860 0.086 1.00 0.00 H new ATOM 0 HA GLU B 67 90.221 4.640 -2.705 1.00 0.00 H new ATOM 0 HB2 GLU B 67 91.974 2.807 -2.876 1.00 0.00 H new ATOM 0 HB3 GLU B 67 90.888 1.749 -1.997 1.00 0.00 H new ATOM 0 HG2 GLU B 67 89.942 3.204 -4.502 1.00 0.00 H new ATOM 0 HG3 GLU B 67 90.832 1.699 -4.628 1.00 0.00 H new ATOM 2525 N CYS B 68 87.877 3.525 -2.276 1.00 0.00 N ATOM 2526 CA CYS B 68 86.499 3.179 -1.787 1.00 0.00 C ATOM 2527 C CYS B 68 86.021 1.898 -2.477 1.00 0.00 C ATOM 2528 O CYS B 68 85.677 1.893 -3.646 1.00 0.00 O ATOM 2529 CB CYS B 68 85.545 4.332 -2.109 1.00 0.00 C ATOM 2530 SG CYS B 68 85.931 5.744 -1.045 1.00 0.00 S ATOM 0 H CYS B 68 87.934 3.788 -3.260 1.00 0.00 H new ATOM 0 HA CYS B 68 86.519 3.018 -0.709 1.00 0.00 H new ATOM 0 HB2 CYS B 68 85.640 4.615 -3.157 1.00 0.00 H new ATOM 0 HB3 CYS B 68 84.512 4.018 -1.956 1.00 0.00 H new ATOM 0 HG CYS B 68 85.059 6.687 -1.242 1.00 0.00 H new ATOM 2536 N ASP B 69 86.036 0.806 -1.761 1.00 0.00 N ATOM 2537 CA ASP B 69 85.624 -0.502 -2.349 1.00 0.00 C ATOM 2538 C ASP B 69 84.110 -0.560 -2.572 1.00 0.00 C ATOM 2539 O ASP B 69 83.371 0.331 -2.204 1.00 0.00 O ATOM 2540 CB ASP B 69 86.029 -1.632 -1.401 1.00 0.00 C ATOM 2541 CG ASP B 69 85.928 -2.974 -2.128 1.00 0.00 C ATOM 2542 OD1 ASP B 69 84.850 -3.545 -2.128 1.00 0.00 O ATOM 2543 OD2 ASP B 69 86.931 -3.408 -2.672 1.00 0.00 O ATOM 0 H ASP B 69 86.320 0.764 -0.782 1.00 0.00 H new ATOM 0 HA ASP B 69 86.121 -0.613 -3.313 1.00 0.00 H new ATOM 0 HB2 ASP B 69 87.048 -1.475 -1.046 1.00 0.00 H new ATOM 0 HB3 ASP B 69 85.383 -1.633 -0.523 1.00 0.00 H new ATOM 2548 N PHE B 70 83.666 -1.631 -3.164 1.00 0.00 N ATOM 2549 CA PHE B 70 82.208 -1.812 -3.419 1.00 0.00 C ATOM 2550 C PHE B 70 81.459 -1.814 -2.082 1.00 0.00 C ATOM 2551 O PHE B 70 80.425 -1.199 -1.930 1.00 0.00 O ATOM 2552 CB PHE B 70 81.967 -3.138 -4.143 1.00 0.00 C ATOM 2553 CG PHE B 70 80.497 -3.265 -4.470 1.00 0.00 C ATOM 2554 CD1 PHE B 70 79.622 -3.869 -3.559 1.00 0.00 C ATOM 2555 CD2 PHE B 70 80.011 -2.768 -5.685 1.00 0.00 C ATOM 2556 CE1 PHE B 70 78.259 -3.976 -3.865 1.00 0.00 C ATOM 2557 CE2 PHE B 70 78.648 -2.876 -5.990 1.00 0.00 C ATOM 2558 CZ PHE B 70 77.773 -3.479 -5.081 1.00 0.00 C ATOM 0 H PHE B 70 84.256 -2.398 -3.486 1.00 0.00 H new ATOM 0 HA PHE B 70 81.845 -0.995 -4.043 1.00 0.00 H new ATOM 0 HB2 PHE B 70 82.560 -3.180 -5.057 1.00 0.00 H new ATOM 0 HB3 PHE B 70 82.286 -3.971 -3.517 1.00 0.00 H new ATOM 0 HD1 PHE B 70 79.997 -4.252 -2.622 1.00 0.00 H new ATOM 0 HD2 PHE B 70 80.686 -2.302 -6.387 1.00 0.00 H new ATOM 0 HE1 PHE B 70 77.583 -4.442 -3.163 1.00 0.00 H new ATOM 0 HE2 PHE B 70 78.273 -2.493 -6.928 1.00 0.00 H new ATOM 0 HZ PHE B 70 76.722 -3.562 -5.317 1.00 0.00 H new ATOM 2568 N GLN B 71 81.964 -2.538 -1.122 1.00 0.00 N ATOM 2569 CA GLN B 71 81.263 -2.609 0.191 1.00 0.00 C ATOM 2570 C GLN B 71 81.161 -1.200 0.785 1.00 0.00 C ATOM 2571 O GLN B 71 80.084 -0.737 1.106 1.00 0.00 O ATOM 2572 CB GLN B 71 82.045 -3.518 1.142 1.00 0.00 C ATOM 2573 CG GLN B 71 82.145 -4.927 0.547 1.00 0.00 C ATOM 2574 CD GLN B 71 80.769 -5.595 0.568 1.00 0.00 C ATOM 2575 OE1 GLN B 71 80.028 -5.458 1.521 1.00 0.00 O ATOM 2576 NE2 GLN B 71 80.395 -6.328 -0.446 1.00 0.00 N ATOM 0 H GLN B 71 82.825 -3.080 -1.188 1.00 0.00 H new ATOM 0 HA GLN B 71 80.262 -3.017 0.051 1.00 0.00 H new ATOM 0 HB2 GLN B 71 83.043 -3.112 1.310 1.00 0.00 H new ATOM 0 HB3 GLN B 71 81.550 -3.557 2.112 1.00 0.00 H new ATOM 0 HG2 GLN B 71 82.519 -4.875 -0.476 1.00 0.00 H new ATOM 0 HG3 GLN B 71 82.858 -5.523 1.117 1.00 0.00 H new ATOM 0 HE21 GLN B 71 81.015 -6.445 -1.247 1.00 0.00 H new ATOM 0 HE22 GLN B 71 79.483 -6.784 -0.437 1.00 0.00 H new ATOM 2585 N GLU B 72 82.260 -0.508 0.936 1.00 0.00 N ATOM 2586 CA GLU B 72 82.184 0.870 1.514 1.00 0.00 C ATOM 2587 C GLU B 72 81.301 1.728 0.609 1.00 0.00 C ATOM 2588 O GLU B 72 80.494 2.512 1.067 1.00 0.00 O ATOM 2589 CB GLU B 72 83.585 1.484 1.578 1.00 0.00 C ATOM 2590 CG GLU B 72 84.415 0.769 2.645 1.00 0.00 C ATOM 2591 CD GLU B 72 85.812 1.388 2.702 1.00 0.00 C ATOM 2592 OE1 GLU B 72 86.125 2.177 1.825 1.00 0.00 O ATOM 2593 OE2 GLU B 72 86.546 1.067 3.622 1.00 0.00 O ATOM 0 H GLU B 72 83.196 -0.830 0.689 1.00 0.00 H new ATOM 0 HA GLU B 72 81.767 0.825 2.520 1.00 0.00 H new ATOM 0 HB2 GLU B 72 84.074 1.400 0.607 1.00 0.00 H new ATOM 0 HB3 GLU B 72 83.516 2.547 1.809 1.00 0.00 H new ATOM 0 HG2 GLU B 72 83.928 0.853 3.617 1.00 0.00 H new ATOM 0 HG3 GLU B 72 84.485 -0.294 2.415 1.00 0.00 H new ATOM 2600 N PHE B 73 81.469 1.585 -0.677 1.00 0.00 N ATOM 2601 CA PHE B 73 80.652 2.397 -1.626 1.00 0.00 C ATOM 2602 C PHE B 73 79.190 2.331 -1.174 1.00 0.00 C ATOM 2603 O PHE B 73 78.473 3.312 -1.205 1.00 0.00 O ATOM 2604 CB PHE B 73 80.775 1.862 -3.053 1.00 0.00 C ATOM 2605 CG PHE B 73 79.836 2.641 -3.941 1.00 0.00 C ATOM 2606 CD1 PHE B 73 80.262 3.832 -4.530 1.00 0.00 C ATOM 2607 CD2 PHE B 73 78.534 2.178 -4.155 1.00 0.00 C ATOM 2608 CE1 PHE B 73 79.388 4.563 -5.342 1.00 0.00 C ATOM 2609 CE2 PHE B 73 77.657 2.907 -4.966 1.00 0.00 C ATOM 2610 CZ PHE B 73 78.085 4.101 -5.560 1.00 0.00 C ATOM 0 H PHE B 73 82.133 0.944 -1.111 1.00 0.00 H new ATOM 0 HA PHE B 73 81.011 3.426 -1.623 1.00 0.00 H new ATOM 0 HB2 PHE B 73 81.801 1.962 -3.407 1.00 0.00 H new ATOM 0 HB3 PHE B 73 80.530 0.800 -3.082 1.00 0.00 H new ATOM 0 HD1 PHE B 73 81.267 4.190 -4.359 1.00 0.00 H new ATOM 0 HD2 PHE B 73 78.205 1.258 -3.695 1.00 0.00 H new ATOM 0 HE1 PHE B 73 79.719 5.483 -5.800 1.00 0.00 H new ATOM 0 HE2 PHE B 73 76.652 2.549 -5.134 1.00 0.00 H new ATOM 0 HZ PHE B 73 77.410 4.665 -6.186 1.00 0.00 H new ATOM 2620 N MET B 74 78.762 1.185 -0.727 1.00 0.00 N ATOM 2621 CA MET B 74 77.364 1.051 -0.237 1.00 0.00 C ATOM 2622 C MET B 74 77.212 1.876 1.048 1.00 0.00 C ATOM 2623 O MET B 74 76.169 2.429 1.326 1.00 0.00 O ATOM 2624 CB MET B 74 77.053 -0.417 0.054 1.00 0.00 C ATOM 2625 CG MET B 74 75.550 -0.574 0.286 1.00 0.00 C ATOM 2626 SD MET B 74 74.670 -0.335 -1.279 1.00 0.00 S ATOM 2627 CE MET B 74 73.016 -0.810 -0.710 1.00 0.00 C ATOM 0 H MET B 74 79.322 0.333 -0.680 1.00 0.00 H new ATOM 0 HA MET B 74 76.671 1.413 -0.996 1.00 0.00 H new ATOM 0 HB2 MET B 74 77.372 -1.041 -0.781 1.00 0.00 H new ATOM 0 HB3 MET B 74 77.606 -0.752 0.932 1.00 0.00 H new ATOM 0 HG2 MET B 74 75.335 -1.564 0.689 1.00 0.00 H new ATOM 0 HG3 MET B 74 75.207 0.152 1.023 1.00 0.00 H new ATOM 0 HE1 MET B 74 72.656 -1.652 -1.301 1.00 0.00 H new ATOM 0 HE2 MET B 74 73.061 -1.096 0.341 1.00 0.00 H new ATOM 0 HE3 MET B 74 72.335 0.033 -0.827 1.00 0.00 H new ATOM 2637 N ALA B 75 78.256 1.981 1.827 1.00 0.00 N ATOM 2638 CA ALA B 75 78.164 2.797 3.072 1.00 0.00 C ATOM 2639 C ALA B 75 77.875 4.242 2.660 1.00 0.00 C ATOM 2640 O ALA B 75 76.923 4.855 3.100 1.00 0.00 O ATOM 2641 CB ALA B 75 79.492 2.732 3.833 1.00 0.00 C ATOM 0 H ALA B 75 79.161 1.541 1.657 1.00 0.00 H new ATOM 0 HA ALA B 75 77.374 2.418 3.721 1.00 0.00 H new ATOM 0 HB1 ALA B 75 79.420 3.330 4.742 1.00 0.00 H new ATOM 0 HB2 ALA B 75 79.711 1.697 4.096 1.00 0.00 H new ATOM 0 HB3 ALA B 75 80.291 3.123 3.204 1.00 0.00 H new ATOM 2647 N PHE B 76 78.707 4.781 1.814 1.00 0.00 N ATOM 2648 CA PHE B 76 78.511 6.187 1.355 1.00 0.00 C ATOM 2649 C PHE B 76 77.078 6.321 0.847 1.00 0.00 C ATOM 2650 O PHE B 76 76.394 7.291 1.107 1.00 0.00 O ATOM 2651 CB PHE B 76 79.487 6.496 0.217 1.00 0.00 C ATOM 2652 CG PHE B 76 79.291 7.917 -0.248 1.00 0.00 C ATOM 2653 CD1 PHE B 76 80.008 8.956 0.357 1.00 0.00 C ATOM 2654 CD2 PHE B 76 78.401 8.198 -1.292 1.00 0.00 C ATOM 2655 CE1 PHE B 76 79.835 10.274 -0.079 1.00 0.00 C ATOM 2656 CE2 PHE B 76 78.227 9.517 -1.728 1.00 0.00 C ATOM 2657 CZ PHE B 76 78.945 10.555 -1.121 1.00 0.00 C ATOM 0 H PHE B 76 79.519 4.307 1.418 1.00 0.00 H new ATOM 0 HA PHE B 76 78.692 6.883 2.174 1.00 0.00 H new ATOM 0 HB2 PHE B 76 80.513 6.352 0.556 1.00 0.00 H new ATOM 0 HB3 PHE B 76 79.325 5.806 -0.611 1.00 0.00 H new ATOM 0 HD1 PHE B 76 80.696 8.740 1.161 1.00 0.00 H new ATOM 0 HD2 PHE B 76 77.849 7.397 -1.761 1.00 0.00 H new ATOM 0 HE1 PHE B 76 80.389 11.075 0.389 1.00 0.00 H new ATOM 0 HE2 PHE B 76 77.539 9.734 -2.532 1.00 0.00 H new ATOM 0 HZ PHE B 76 78.812 11.573 -1.457 1.00 0.00 H new ATOM 2667 N VAL B 77 76.613 5.322 0.161 1.00 0.00 N ATOM 2668 CA VAL B 77 75.210 5.364 -0.322 1.00 0.00 C ATOM 2669 C VAL B 77 74.306 5.459 0.912 1.00 0.00 C ATOM 2670 O VAL B 77 73.336 6.191 0.932 1.00 0.00 O ATOM 2671 CB VAL B 77 74.884 4.106 -1.137 1.00 0.00 C ATOM 2672 CG1 VAL B 77 73.377 4.048 -1.411 1.00 0.00 C ATOM 2673 CG2 VAL B 77 75.645 4.152 -2.467 1.00 0.00 C ATOM 0 H VAL B 77 77.138 4.483 -0.086 1.00 0.00 H new ATOM 0 HA VAL B 77 75.054 6.222 -0.976 1.00 0.00 H new ATOM 0 HB VAL B 77 75.183 3.221 -0.576 1.00 0.00 H new ATOM 0 HG11 VAL B 77 73.147 3.154 -1.990 1.00 0.00 H new ATOM 0 HG12 VAL B 77 72.836 4.017 -0.465 1.00 0.00 H new ATOM 0 HG13 VAL B 77 73.075 4.932 -1.973 1.00 0.00 H new ATOM 0 HG21 VAL B 77 75.415 3.259 -3.049 1.00 0.00 H new ATOM 0 HG22 VAL B 77 75.345 5.037 -3.028 1.00 0.00 H new ATOM 0 HG23 VAL B 77 76.717 4.192 -2.272 1.00 0.00 H new ATOM 2683 N SER B 78 74.627 4.720 1.946 1.00 0.00 N ATOM 2684 CA SER B 78 73.801 4.761 3.189 1.00 0.00 C ATOM 2685 C SER B 78 74.012 6.089 3.921 1.00 0.00 C ATOM 2686 O SER B 78 73.071 6.732 4.342 1.00 0.00 O ATOM 2687 CB SER B 78 74.220 3.618 4.113 1.00 0.00 C ATOM 2688 OG SER B 78 75.470 3.931 4.713 1.00 0.00 O ATOM 0 H SER B 78 75.428 4.089 1.981 1.00 0.00 H new ATOM 0 HA SER B 78 72.750 4.661 2.917 1.00 0.00 H new ATOM 0 HB2 SER B 78 73.464 3.462 4.882 1.00 0.00 H new ATOM 0 HB3 SER B 78 74.297 2.689 3.548 1.00 0.00 H new ATOM 0 HG SER B 78 76.100 4.223 4.022 1.00 0.00 H new ATOM 2694 N MET B 79 75.239 6.492 4.103 1.00 0.00 N ATOM 2695 CA MET B 79 75.503 7.763 4.844 1.00 0.00 C ATOM 2696 C MET B 79 74.650 8.875 4.245 1.00 0.00 C ATOM 2697 O MET B 79 74.080 9.684 4.950 1.00 0.00 O ATOM 2698 CB MET B 79 76.985 8.126 4.722 1.00 0.00 C ATOM 2699 CG MET B 79 77.289 9.355 5.582 1.00 0.00 C ATOM 2700 SD MET B 79 79.071 9.676 5.563 1.00 0.00 S ATOM 2701 CE MET B 79 79.037 11.222 6.502 1.00 0.00 C ATOM 0 H MET B 79 76.069 6.000 3.773 1.00 0.00 H new ATOM 0 HA MET B 79 75.251 7.636 5.897 1.00 0.00 H new ATOM 0 HB2 MET B 79 77.602 7.286 5.040 1.00 0.00 H new ATOM 0 HB3 MET B 79 77.235 8.328 3.681 1.00 0.00 H new ATOM 0 HG2 MET B 79 76.748 10.222 5.202 1.00 0.00 H new ATOM 0 HG3 MET B 79 76.949 9.190 6.604 1.00 0.00 H new ATOM 0 HE1 MET B 79 80.052 11.604 6.611 1.00 0.00 H new ATOM 0 HE2 MET B 79 78.429 11.956 5.973 1.00 0.00 H new ATOM 0 HE3 MET B 79 78.610 11.039 7.488 1.00 0.00 H new ATOM 2711 N VAL B 80 74.529 8.899 2.955 1.00 0.00 N ATOM 2712 CA VAL B 80 73.681 9.932 2.310 1.00 0.00 C ATOM 2713 C VAL B 80 72.221 9.647 2.685 1.00 0.00 C ATOM 2714 O VAL B 80 71.399 10.538 2.761 1.00 0.00 O ATOM 2715 CB VAL B 80 73.871 9.874 0.792 1.00 0.00 C ATOM 2716 CG1 VAL B 80 72.964 10.905 0.112 1.00 0.00 C ATOM 2717 CG2 VAL B 80 75.332 10.191 0.458 1.00 0.00 C ATOM 0 H VAL B 80 74.982 8.246 2.315 1.00 0.00 H new ATOM 0 HA VAL B 80 73.959 10.930 2.649 1.00 0.00 H new ATOM 0 HB VAL B 80 73.613 8.877 0.434 1.00 0.00 H new ATOM 0 HG11 VAL B 80 73.105 10.858 -0.968 1.00 0.00 H new ATOM 0 HG12 VAL B 80 71.923 10.688 0.352 1.00 0.00 H new ATOM 0 HG13 VAL B 80 73.218 11.904 0.468 1.00 0.00 H new ATOM 0 HG21 VAL B 80 75.475 10.152 -0.622 1.00 0.00 H new ATOM 0 HG22 VAL B 80 75.580 11.188 0.821 1.00 0.00 H new ATOM 0 HG23 VAL B 80 75.982 9.459 0.937 1.00 0.00 H new ATOM 2727 N THR B 81 71.910 8.403 2.944 1.00 0.00 N ATOM 2728 CA THR B 81 70.519 8.039 3.346 1.00 0.00 C ATOM 2729 C THR B 81 70.326 8.369 4.829 1.00 0.00 C ATOM 2730 O THR B 81 69.349 8.974 5.224 1.00 0.00 O ATOM 2731 CB THR B 81 70.296 6.539 3.132 1.00 0.00 C ATOM 2732 OG1 THR B 81 70.706 6.180 1.821 1.00 0.00 O ATOM 2733 CG2 THR B 81 68.813 6.214 3.312 1.00 0.00 C ATOM 0 H THR B 81 72.563 7.621 2.894 1.00 0.00 H new ATOM 0 HA THR B 81 69.806 8.601 2.742 1.00 0.00 H new ATOM 0 HB THR B 81 70.881 5.977 3.860 1.00 0.00 H new ATOM 0 HG1 THR B 81 71.685 6.188 1.771 1.00 0.00 H new ATOM 0 HG21 THR B 81 68.653 5.147 3.160 1.00 0.00 H new ATOM 0 HG22 THR B 81 68.500 6.488 4.320 1.00 0.00 H new ATOM 0 HG23 THR B 81 68.227 6.776 2.585 1.00 0.00 H new ATOM 2741 N THR B 82 71.260 7.968 5.651 1.00 0.00 N ATOM 2742 CA THR B 82 71.161 8.240 7.109 1.00 0.00 C ATOM 2743 C THR B 82 71.350 9.737 7.362 1.00 0.00 C ATOM 2744 O THR B 82 71.056 10.238 8.429 1.00 0.00 O ATOM 2745 CB THR B 82 72.254 7.460 7.843 1.00 0.00 C ATOM 2746 OG1 THR B 82 73.525 7.992 7.499 1.00 0.00 O ATOM 2747 CG2 THR B 82 72.195 5.981 7.450 1.00 0.00 C ATOM 0 H THR B 82 72.096 7.458 5.367 1.00 0.00 H new ATOM 0 HA THR B 82 70.181 7.930 7.473 1.00 0.00 H new ATOM 0 HB THR B 82 72.098 7.549 8.918 1.00 0.00 H new ATOM 0 HG1 THR B 82 73.459 8.472 6.647 1.00 0.00 H new ATOM 0 HG21 THR B 82 72.976 5.433 7.977 1.00 0.00 H new ATOM 0 HG22 THR B 82 71.221 5.572 7.718 1.00 0.00 H new ATOM 0 HG23 THR B 82 72.346 5.884 6.375 1.00 0.00 H new ATOM 2755 N ALA B 83 71.823 10.458 6.382 1.00 0.00 N ATOM 2756 CA ALA B 83 72.010 11.923 6.561 1.00 0.00 C ATOM 2757 C ALA B 83 70.639 12.608 6.517 1.00 0.00 C ATOM 2758 O ALA B 83 70.313 13.430 7.350 1.00 0.00 O ATOM 2759 CB ALA B 83 72.896 12.458 5.433 1.00 0.00 C ATOM 0 H ALA B 83 72.087 10.095 5.466 1.00 0.00 H new ATOM 0 HA ALA B 83 72.487 12.127 7.519 1.00 0.00 H new ATOM 0 HB1 ALA B 83 73.037 13.532 5.559 1.00 0.00 H new ATOM 0 HB2 ALA B 83 73.865 11.959 5.463 1.00 0.00 H new ATOM 0 HB3 ALA B 83 72.418 12.265 4.472 1.00 0.00 H new ATOM 2765 N CYS B 84 69.840 12.267 5.543 1.00 0.00 N ATOM 2766 CA CYS B 84 68.488 12.881 5.423 1.00 0.00 C ATOM 2767 C CYS B 84 67.543 12.232 6.436 1.00 0.00 C ATOM 2768 O CYS B 84 67.583 11.038 6.657 1.00 0.00 O ATOM 2769 CB CYS B 84 67.950 12.658 4.008 1.00 0.00 C ATOM 2770 SG CYS B 84 66.269 13.321 3.886 1.00 0.00 S ATOM 0 H CYS B 84 70.068 11.584 4.820 1.00 0.00 H new ATOM 0 HA CYS B 84 68.555 13.951 5.621 1.00 0.00 H new ATOM 0 HB2 CYS B 84 68.598 13.146 3.280 1.00 0.00 H new ATOM 0 HB3 CYS B 84 67.950 11.594 3.771 1.00 0.00 H new ATOM 0 HG CYS B 84 65.815 13.133 2.683 1.00 0.00 H new