USER MOD reduce.3.24.130724 H: found=0, std=0, add=1065, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1067 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 SER OG : rot -133:sc= 1.22 USER MOD Set 1.2: A 96 TYR OH : rot -157:sc= 0.221 USER MOD Set 1.3: A 119 TYR OH : rot -151:sc= 1.19 USER MOD Set 2.1: A 85 LYS NZ :NH3+ 170:sc= 1.23 (180deg=0) USER MOD Set 2.2: A 99 ASN : amide:sc= -0.381 K(o=0.85,f=-6.4!) USER MOD Set 3.1: A 48 ASN : amide:sc= -2.33! C(o=-1.8!,f=-11!) USER MOD Set 3.2: A 62 LYS NZ :NH3+ -174:sc= 0.508 (180deg=-0.159) USER MOD Set 4.1: A 40 TYR OH : rot -39:sc= 0.733 USER MOD Set 4.2: A 110 THR OG1 : rot 83:sc= 0.353 USER MOD Set 5.1: A 38 SER OG : rot -72:sc= 1.31 USER MOD Set 5.2: A 39 HIS : no HD1:sc= 0.86 K(o=2.2,f=-6!) USER MOD Set 6.1: A 8 GLN :FLIP amide:sc= 0.0146 F(o=-2.7,f=-0.26) USER MOD Set 6.2: A 57 ASN : amide:sc= -0.272 K(o=-0.26,f=-1.6) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc=-0.00371 K(o=-0.0037,f=-0.62) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 1.2 K(o=1.2,f=-0.008) USER MOD Single : A 24 ASN : amide:sc= 0.62 K(o=0.62,f=-7.6!) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.0211 USER MOD Single : A 26 GLN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 99:sc= 1.24 USER MOD Single : A 33 LYS NZ :NH3+ -161:sc= -0.0508 (180deg=-0.365) USER MOD Single : A 35 HIS : no HD1:sc= -0.329 K(o=-0.33,f=-1.6) USER MOD Single : A 36 ASN : amide:sc= -2.2 K(o=-2.2,f=-4.8!) USER MOD Single : A 42 TYR OH : rot 32:sc= 0.946 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -0.0405 X(o=-0.041,f=-0.0051) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc=-0.00668 K(o=-0.0067,f=-0.88) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 69:sc= 0.297 USER MOD Single : A 71 LYS NZ :NH3+ 173:sc=-0.000879 (180deg=-0.0527) USER MOD Single : A 73 SER OG : rot 149:sc= 0.64 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 THR OG1 : rot 74:sc= 1.08 USER MOD Single : A 82 THR OG1 : rot 66:sc= 1.27 USER MOD Single : A 84 ASN : amide:sc= -0.0629 K(o=-0.063,f=-0.75) USER MOD Single : A 87 LYS NZ :NH3+ -165:sc= -0.0275 (180deg=-0.255) USER MOD Single : A 88 SER OG : rot 81:sc= 0.14 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0056 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 102 LYS NZ :NH3+ 161:sc= -0.0553 (180deg=-0.396) USER MOD Single : A 111 ASN : amide:sc= -1.37 K(o=-1.4,f=-12!) USER MOD Single : A 113 HIS : no HE2:sc= 1.11 K(o=1.1,f=-5.5!) USER MOD Single : A 115 GLN : amide:sc= -0.087 K(o=-0.087,f=-1.6) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 107:sc= 0.0514 USER MOD Single : A 121 THR OG1 : rot 72:sc= 0.425 USER MOD Single : A 124 ASN : amide:sc= -0.0983 K(o=-0.098,f=-2.1!) USER MOD Single : A 125 SER OG : rot 50:sc= 0.578 USER MOD Single : A 129 THR OG1 : rot 123:sc= 0.655 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= -1.59! C(o=-1.6!,f=-6.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 7 -6.191 16.854 -14.823 1.00 0.00 N ATOM 2 CA ASP A 7 -6.549 15.461 -14.563 1.00 0.00 C ATOM 3 C ASP A 7 -6.261 15.048 -13.125 1.00 0.00 C ATOM 4 O ASP A 7 -5.134 15.162 -12.639 1.00 0.00 O ATOM 5 CB ASP A 7 -5.819 14.536 -15.534 1.00 0.00 C ATOM 6 CG ASP A 7 -5.964 13.077 -15.153 1.00 0.00 C ATOM 7 OD1 ASP A 7 -7.079 12.667 -14.761 1.00 0.00 O ATOM 8 OD2 ASP A 7 -4.961 12.340 -15.235 1.00 0.00 O ATOM 0 HA ASP A 7 -7.624 15.371 -14.716 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -6.209 14.687 -16.540 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.762 14.800 -15.559 1.00 0.00 H new ATOM 13 N GLN A 8 -7.299 14.546 -12.466 1.00 0.00 N ATOM 14 CA GLN A 8 -7.229 14.115 -11.076 1.00 0.00 C ATOM 15 C GLN A 8 -6.289 12.923 -10.920 1.00 0.00 C ATOM 16 O GLN A 8 -5.661 12.748 -9.872 1.00 0.00 O ATOM 17 CB GLN A 8 -8.636 13.752 -10.589 1.00 0.00 C ATOM 18 CG GLN A 8 -8.711 13.321 -9.133 1.00 0.00 C ATOM 19 CD GLN A 8 -10.136 13.052 -8.682 1.00 0.00 C ATOM 20 OE1 GLN A 8 -10.990 12.661 -9.620 1.00 0.00 O flip ATOM 21 NE2 GLN A 8 -10.470 13.202 -7.507 1.00 0.00 N flip ATOM 0 H GLN A 8 -8.221 14.426 -12.886 1.00 0.00 H new ATOM 0 HA GLN A 8 -6.833 14.932 -10.472 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.289 14.612 -10.733 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.026 12.948 -11.213 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -8.112 12.421 -8.992 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -8.274 14.097 -8.504 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.783 13.504 -6.816 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.434 13.024 -7.224 1.00 0.00 H new ATOM 30 N VAL A 9 -6.185 12.116 -11.974 1.00 0.00 N ATOM 31 CA VAL A 9 -5.321 10.942 -11.957 1.00 0.00 C ATOM 32 C VAL A 9 -3.862 11.366 -11.794 1.00 0.00 C ATOM 33 O VAL A 9 -3.078 10.690 -11.127 1.00 0.00 O ATOM 34 CB VAL A 9 -5.477 10.103 -13.247 1.00 0.00 C ATOM 35 CG1 VAL A 9 -4.565 8.885 -13.221 1.00 0.00 C ATOM 36 CG2 VAL A 9 -6.927 9.679 -13.444 1.00 0.00 C ATOM 0 H VAL A 9 -6.689 12.255 -12.850 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.620 10.323 -11.111 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.183 10.729 -14.090 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.695 8.313 -14.140 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.527 9.209 -13.139 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.818 8.259 -12.365 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.013 9.090 -14.357 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.249 9.079 -12.593 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.558 10.565 -13.523 1.00 0.00 H new ATOM 46 N VAL A 10 -3.519 12.510 -12.384 1.00 0.00 N ATOM 47 CA VAL A 10 -2.169 13.051 -12.287 1.00 0.00 C ATOM 48 C VAL A 10 -1.781 13.270 -10.828 1.00 0.00 C ATOM 49 O VAL A 10 -0.735 12.804 -10.384 1.00 0.00 O ATOM 50 CB VAL A 10 -2.031 14.383 -13.061 1.00 0.00 C ATOM 51 CG1 VAL A 10 -0.628 14.954 -12.922 1.00 0.00 C ATOM 52 CG2 VAL A 10 -2.380 14.192 -14.527 1.00 0.00 C ATOM 0 H VAL A 10 -4.161 13.080 -12.935 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.497 12.320 -12.736 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.733 15.095 -12.627 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.560 15.890 -13.476 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.413 15.139 -11.870 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.095 14.243 -13.321 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.276 15.141 -15.052 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.707 13.457 -14.969 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.408 13.840 -14.613 1.00 0.00 H new ATOM 62 N ILE A 11 -2.650 13.949 -10.087 1.00 0.00 N ATOM 63 CA ILE A 11 -2.385 14.285 -8.692 1.00 0.00 C ATOM 64 C ILE A 11 -2.140 13.031 -7.858 1.00 0.00 C ATOM 65 O ILE A 11 -1.122 12.925 -7.174 1.00 0.00 O ATOM 66 CB ILE A 11 -3.541 15.109 -8.058 1.00 0.00 C ATOM 67 CG1 ILE A 11 -3.603 16.529 -8.638 1.00 0.00 C ATOM 68 CG2 ILE A 11 -3.393 15.176 -6.540 1.00 0.00 C ATOM 69 CD1 ILE A 11 -4.149 16.606 -10.047 1.00 0.00 C ATOM 0 H ILE A 11 -3.551 14.280 -10.432 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.485 14.900 -8.690 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.473 14.598 -8.301 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.222 17.147 -7.987 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.601 16.957 -8.626 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.213 15.758 -6.120 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.415 14.167 -6.127 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.445 15.651 -6.287 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.158 17.645 -10.378 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.519 16.018 -10.714 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.165 16.211 -10.066 1.00 0.00 H new ATOM 81 N PHE A 12 -3.061 12.079 -7.929 1.00 0.00 N ATOM 82 CA PHE A 12 -2.941 10.849 -7.150 1.00 0.00 C ATOM 83 C PHE A 12 -1.690 10.073 -7.534 1.00 0.00 C ATOM 84 O PHE A 12 -0.985 9.549 -6.672 1.00 0.00 O ATOM 85 CB PHE A 12 -4.179 9.969 -7.313 1.00 0.00 C ATOM 86 CG PHE A 12 -5.357 10.453 -6.519 1.00 0.00 C ATOM 87 CD1 PHE A 12 -5.469 10.141 -5.172 1.00 0.00 C ATOM 88 CD2 PHE A 12 -6.349 11.217 -7.110 1.00 0.00 C ATOM 89 CE1 PHE A 12 -6.550 10.582 -4.433 1.00 0.00 C ATOM 90 CE2 PHE A 12 -7.431 11.660 -6.375 1.00 0.00 C ATOM 91 CZ PHE A 12 -7.532 11.342 -5.035 1.00 0.00 C ATOM 0 H PHE A 12 -3.895 12.132 -8.514 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.858 11.136 -6.102 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.452 9.928 -8.368 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.936 8.951 -7.007 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.703 9.547 -4.696 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -6.276 11.469 -8.158 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.626 10.332 -3.385 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.198 12.255 -6.848 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.378 11.687 -4.459 1.00 0.00 H new ATOM 101 N LYS A 13 -1.407 10.018 -8.828 1.00 0.00 N ATOM 102 CA LYS A 13 -0.224 9.323 -9.314 1.00 0.00 C ATOM 103 C LYS A 13 1.044 9.999 -8.800 1.00 0.00 C ATOM 104 O LYS A 13 1.985 9.322 -8.393 1.00 0.00 O ATOM 105 CB LYS A 13 -0.231 9.257 -10.844 1.00 0.00 C ATOM 106 CG LYS A 13 1.040 8.680 -11.444 1.00 0.00 C ATOM 107 CD LYS A 13 0.985 8.676 -12.960 1.00 0.00 C ATOM 108 CE LYS A 13 0.842 10.083 -13.518 1.00 0.00 C ATOM 109 NZ LYS A 13 0.827 10.086 -15.002 1.00 0.00 N ATOM 0 H LYS A 13 -1.978 10.445 -9.557 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.240 8.302 -8.932 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.079 8.654 -11.167 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.384 10.261 -11.240 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.898 9.263 -11.111 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.186 7.663 -11.081 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.891 8.217 -13.356 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.146 8.065 -13.293 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.079 10.531 -13.144 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.666 10.701 -13.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.728 11.062 -15.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.716 9.681 -15.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.026 9.516 -15.342 1.00 0.00 H new ATOM 123 N GLN A 14 1.052 11.329 -8.794 1.00 0.00 N ATOM 124 CA GLN A 14 2.189 12.089 -8.275 1.00 0.00 C ATOM 125 C GLN A 14 2.432 11.765 -6.805 1.00 0.00 C ATOM 126 O GLN A 14 3.576 11.682 -6.362 1.00 0.00 O ATOM 127 CB GLN A 14 1.963 13.594 -8.438 1.00 0.00 C ATOM 128 CG GLN A 14 1.923 14.057 -9.883 1.00 0.00 C ATOM 129 CD GLN A 14 1.716 15.552 -10.012 1.00 0.00 C ATOM 130 OE1 GLN A 14 1.108 16.186 -9.149 1.00 0.00 O ATOM 131 NE2 GLN A 14 2.213 16.122 -11.095 1.00 0.00 N ATOM 0 H GLN A 14 0.285 11.904 -9.142 1.00 0.00 H new ATOM 0 HA GLN A 14 3.068 11.801 -8.852 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.025 13.865 -7.954 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.757 14.129 -7.917 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.855 13.780 -10.375 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.120 13.537 -10.405 1.00 0.00 H new ATOM 0 HE21 GLN A 14 2.710 15.559 -11.785 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.100 17.125 -11.241 1.00 0.00 H new ATOM 140 N ILE A 15 1.349 11.578 -6.061 1.00 0.00 N ATOM 141 CA ILE A 15 1.434 11.234 -4.645 1.00 0.00 C ATOM 142 C ILE A 15 2.206 9.930 -4.452 1.00 0.00 C ATOM 143 O ILE A 15 3.240 9.901 -3.782 1.00 0.00 O ATOM 144 CB ILE A 15 0.031 11.082 -4.016 1.00 0.00 C ATOM 145 CG1 ILE A 15 -0.758 12.387 -4.149 1.00 0.00 C ATOM 146 CG2 ILE A 15 0.143 10.670 -2.552 1.00 0.00 C ATOM 147 CD1 ILE A 15 -2.198 12.276 -3.692 1.00 0.00 C ATOM 0 H ILE A 15 0.396 11.659 -6.416 1.00 0.00 H new ATOM 0 HA ILE A 15 1.959 12.050 -4.148 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.505 10.299 -4.552 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.260 13.163 -3.568 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.740 12.708 -5.191 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.855 10.568 -2.125 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.667 9.717 -2.481 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.697 11.430 -2.001 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.694 13.239 -3.815 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.712 11.523 -4.290 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.225 11.986 -2.642 1.00 0.00 H new ATOM 159 N PHE A 16 1.713 8.866 -5.070 1.00 0.00 N ATOM 160 CA PHE A 16 2.292 7.539 -4.900 1.00 0.00 C ATOM 161 C PHE A 16 3.657 7.432 -5.569 1.00 0.00 C ATOM 162 O PHE A 16 4.537 6.716 -5.088 1.00 0.00 O ATOM 163 CB PHE A 16 1.344 6.472 -5.450 1.00 0.00 C ATOM 164 CG PHE A 16 0.080 6.329 -4.649 1.00 0.00 C ATOM 165 CD1 PHE A 16 0.036 5.489 -3.548 1.00 0.00 C ATOM 166 CD2 PHE A 16 -1.061 7.035 -4.993 1.00 0.00 C ATOM 167 CE1 PHE A 16 -1.122 5.358 -2.807 1.00 0.00 C ATOM 168 CE2 PHE A 16 -2.223 6.907 -4.256 1.00 0.00 C ATOM 169 CZ PHE A 16 -2.254 6.066 -3.162 1.00 0.00 C ATOM 0 H PHE A 16 0.909 8.896 -5.697 1.00 0.00 H new ATOM 0 HA PHE A 16 2.433 7.373 -3.832 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.087 6.720 -6.480 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.862 5.513 -5.473 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.917 4.931 -3.266 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.042 7.694 -5.848 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.143 4.702 -1.950 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.105 7.464 -4.536 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.161 5.962 -2.585 1.00 0.00 H new ATOM 179 N ASP A 17 3.839 8.147 -6.670 1.00 0.00 N ATOM 180 CA ASP A 17 5.114 8.137 -7.379 1.00 0.00 C ATOM 181 C ASP A 17 6.194 8.804 -6.537 1.00 0.00 C ATOM 182 O ASP A 17 7.296 8.274 -6.380 1.00 0.00 O ATOM 183 CB ASP A 17 4.984 8.849 -8.729 1.00 0.00 C ATOM 184 CG ASP A 17 6.238 8.737 -9.572 1.00 0.00 C ATOM 185 OD1 ASP A 17 6.427 7.690 -10.225 1.00 0.00 O ATOM 186 OD2 ASP A 17 7.035 9.695 -9.595 1.00 0.00 O ATOM 0 H ASP A 17 3.124 8.740 -7.092 1.00 0.00 H new ATOM 0 HA ASP A 17 5.399 7.100 -7.558 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.143 8.426 -9.278 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.758 9.902 -8.560 1.00 0.00 H new ATOM 191 N LYS A 18 5.859 9.952 -5.959 1.00 0.00 N ATOM 192 CA LYS A 18 6.820 10.714 -5.177 1.00 0.00 C ATOM 193 C LYS A 18 7.103 10.045 -3.835 1.00 0.00 C ATOM 194 O LYS A 18 8.250 10.005 -3.397 1.00 0.00 O ATOM 195 CB LYS A 18 6.337 12.154 -4.974 1.00 0.00 C ATOM 196 CG LYS A 18 7.258 12.988 -4.096 1.00 0.00 C ATOM 197 CD LYS A 18 7.113 14.476 -4.381 1.00 0.00 C ATOM 198 CE LYS A 18 5.697 14.983 -4.128 1.00 0.00 C ATOM 199 NZ LYS A 18 5.569 16.428 -4.455 1.00 0.00 N ATOM 0 H LYS A 18 4.932 10.373 -6.018 1.00 0.00 H new ATOM 0 HA LYS A 18 7.754 10.741 -5.738 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.241 12.637 -5.947 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.343 12.135 -4.528 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.034 12.795 -3.047 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.292 12.685 -4.262 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.812 15.032 -3.756 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.386 14.673 -5.418 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.991 14.409 -4.728 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.432 14.820 -3.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.594 16.740 -4.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.225 16.977 -3.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.798 16.578 -5.458 1.00 0.00 H new ATOM 213 N VAL A 19 6.080 9.499 -3.185 1.00 0.00 N ATOM 214 CA VAL A 19 6.270 8.870 -1.878 1.00 0.00 C ATOM 215 C VAL A 19 7.136 7.612 -1.999 1.00 0.00 C ATOM 216 O VAL A 19 7.848 7.242 -1.066 1.00 0.00 O ATOM 217 CB VAL A 19 4.927 8.521 -1.190 1.00 0.00 C ATOM 218 CG1 VAL A 19 4.187 7.425 -1.941 1.00 0.00 C ATOM 219 CG2 VAL A 19 5.154 8.119 0.260 1.00 0.00 C ATOM 0 H VAL A 19 5.122 9.478 -3.534 1.00 0.00 H new ATOM 0 HA VAL A 19 6.782 9.601 -1.252 1.00 0.00 H new ATOM 0 HB VAL A 19 4.304 9.415 -1.207 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.249 7.204 -1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.978 7.758 -2.958 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.803 6.526 -1.973 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.198 7.878 0.725 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.806 7.246 0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.621 8.944 0.798 1.00 0.00 H new ATOM 229 N ARG A 20 7.100 6.983 -3.169 1.00 0.00 N ATOM 230 CA ARG A 20 7.881 5.776 -3.416 1.00 0.00 C ATOM 231 C ARG A 20 9.356 6.127 -3.635 1.00 0.00 C ATOM 232 O ARG A 20 10.223 5.252 -3.649 1.00 0.00 O ATOM 233 CB ARG A 20 7.306 5.028 -4.626 1.00 0.00 C ATOM 234 CG ARG A 20 7.970 3.692 -4.908 1.00 0.00 C ATOM 235 CD ARG A 20 7.178 2.876 -5.919 1.00 0.00 C ATOM 236 NE ARG A 20 7.038 3.557 -7.205 1.00 0.00 N ATOM 237 CZ ARG A 20 6.156 3.208 -8.140 1.00 0.00 C ATOM 238 NH1 ARG A 20 5.309 2.206 -7.926 1.00 0.00 N ATOM 239 NH2 ARG A 20 6.121 3.868 -9.287 1.00 0.00 N ATOM 0 H ARG A 20 6.537 7.290 -3.963 1.00 0.00 H new ATOM 0 HA ARG A 20 7.821 5.125 -2.544 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.241 4.864 -4.464 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.401 5.661 -5.508 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.979 3.859 -5.285 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.065 3.129 -3.980 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.671 1.916 -6.072 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.188 2.665 -5.514 1.00 0.00 H new ATOM 0 HE ARG A 20 7.653 4.347 -7.398 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.332 1.699 -7.041 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.636 1.944 -8.647 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.768 4.640 -9.451 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.448 3.605 -10.006 1.00 0.00 H new ATOM 253 N ASN A 21 9.632 7.414 -3.788 1.00 0.00 N ATOM 254 CA ASN A 21 10.997 7.889 -4.004 1.00 0.00 C ATOM 255 C ASN A 21 11.487 8.715 -2.818 1.00 0.00 C ATOM 256 O ASN A 21 12.539 8.440 -2.247 1.00 0.00 O ATOM 257 CB ASN A 21 11.078 8.722 -5.287 1.00 0.00 C ATOM 258 CG ASN A 21 11.072 7.870 -6.543 1.00 0.00 C ATOM 259 OD1 ASN A 21 12.124 7.454 -7.021 1.00 0.00 O ATOM 260 ND2 ASN A 21 9.893 7.614 -7.092 1.00 0.00 N ATOM 0 H ASN A 21 8.929 8.152 -3.767 1.00 0.00 H new ATOM 0 HA ASN A 21 11.641 7.015 -4.104 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.237 9.414 -5.319 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.986 9.325 -5.267 1.00 0.00 H new ATOM 0 HD21 ASN A 21 9.837 7.053 -7.942 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.041 7.978 -6.664 1.00 0.00 H new ATOM 267 N ASP A 22 10.703 9.718 -2.449 1.00 0.00 N ATOM 268 CA ASP A 22 11.073 10.649 -1.383 1.00 0.00 C ATOM 269 C ASP A 22 10.895 10.004 -0.012 1.00 0.00 C ATOM 270 O ASP A 22 11.525 10.416 0.965 1.00 0.00 O ATOM 271 CB ASP A 22 10.217 11.916 -1.483 1.00 0.00 C ATOM 272 CG ASP A 22 10.686 13.032 -0.568 1.00 0.00 C ATOM 273 OD1 ASP A 22 11.614 13.768 -0.956 1.00 0.00 O ATOM 274 OD2 ASP A 22 10.114 13.193 0.529 1.00 0.00 O ATOM 0 H ASP A 22 9.797 9.912 -2.875 1.00 0.00 H new ATOM 0 HA ASP A 22 12.124 10.912 -1.502 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.227 12.272 -2.513 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.184 11.668 -1.241 1.00 0.00 H new ATOM 279 N LEU A 23 10.031 8.990 0.043 1.00 0.00 N ATOM 280 CA LEU A 23 9.743 8.258 1.278 1.00 0.00 C ATOM 281 C LEU A 23 9.130 9.184 2.326 1.00 0.00 C ATOM 282 O LEU A 23 9.362 9.032 3.527 1.00 0.00 O ATOM 283 CB LEU A 23 11.012 7.594 1.826 1.00 0.00 C ATOM 284 CG LEU A 23 11.661 6.558 0.900 1.00 0.00 C ATOM 285 CD1 LEU A 23 12.857 5.909 1.580 1.00 0.00 C ATOM 286 CD2 LEU A 23 10.649 5.500 0.490 1.00 0.00 C ATOM 0 H LEU A 23 9.511 8.653 -0.767 1.00 0.00 H new ATOM 0 HA LEU A 23 9.020 7.476 1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.744 8.372 2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.770 7.110 2.772 1.00 0.00 H new ATOM 0 HG LEU A 23 12.008 7.071 0.003 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.305 5.177 0.908 1.00 0.00 H new ATOM 0 HD12 LEU A 23 13.594 6.673 1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.531 5.411 2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 23 11.128 4.774 -0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.273 4.993 1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.820 5.974 -0.036 1.00 0.00 H new ATOM 298 N ASN A 24 8.337 10.136 1.857 1.00 0.00 N ATOM 299 CA ASN A 24 7.653 11.075 2.737 1.00 0.00 C ATOM 300 C ASN A 24 6.312 10.497 3.163 1.00 0.00 C ATOM 301 O ASN A 24 5.333 10.567 2.424 1.00 0.00 O ATOM 302 CB ASN A 24 7.442 12.419 2.029 1.00 0.00 C ATOM 303 CG ASN A 24 6.936 13.515 2.957 1.00 0.00 C ATOM 304 OD1 ASN A 24 6.254 13.259 3.949 1.00 0.00 O ATOM 305 ND2 ASN A 24 7.266 14.751 2.628 1.00 0.00 N ATOM 0 H ASN A 24 8.150 10.280 0.865 1.00 0.00 H new ATOM 0 HA ASN A 24 8.271 11.241 3.619 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.383 12.738 1.581 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.730 12.285 1.214 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.954 15.533 3.204 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.833 14.924 1.798 1.00 0.00 H new ATOM 312 N TYR A 25 6.280 9.916 4.353 1.00 0.00 N ATOM 313 CA TYR A 25 5.063 9.306 4.872 1.00 0.00 C ATOM 314 C TYR A 25 4.248 10.328 5.653 1.00 0.00 C ATOM 315 O TYR A 25 3.029 10.203 5.778 1.00 0.00 O ATOM 316 CB TYR A 25 5.397 8.103 5.758 1.00 0.00 C ATOM 317 CG TYR A 25 6.094 6.987 5.014 1.00 0.00 C ATOM 318 CD1 TYR A 25 5.376 6.104 4.220 1.00 0.00 C ATOM 319 CD2 TYR A 25 7.470 6.814 5.108 1.00 0.00 C ATOM 320 CE1 TYR A 25 6.007 5.084 3.536 1.00 0.00 C ATOM 321 CE2 TYR A 25 8.110 5.795 4.428 1.00 0.00 C ATOM 322 CZ TYR A 25 7.372 4.934 3.644 1.00 0.00 C ATOM 323 OH TYR A 25 8.003 3.919 2.966 1.00 0.00 O ATOM 0 H TYR A 25 7.083 9.854 4.979 1.00 0.00 H new ATOM 0 HA TYR A 25 4.468 8.957 4.028 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.030 8.432 6.582 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.477 7.718 6.198 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.305 6.217 4.136 1.00 0.00 H new ATOM 0 HD2 TYR A 25 8.049 7.487 5.723 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.433 4.407 2.920 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.180 5.674 4.510 1.00 0.00 H new ATOM 0 HH TYR A 25 8.965 3.953 3.148 1.00 0.00 H new ATOM 333 N GLN A 26 4.936 11.346 6.160 1.00 0.00 N ATOM 334 CA GLN A 26 4.292 12.424 6.902 1.00 0.00 C ATOM 335 C GLN A 26 3.232 13.104 6.039 1.00 0.00 C ATOM 336 O GLN A 26 2.085 13.274 6.458 1.00 0.00 O ATOM 337 CB GLN A 26 5.335 13.446 7.364 1.00 0.00 C ATOM 338 CG GLN A 26 4.743 14.614 8.136 1.00 0.00 C ATOM 339 CD GLN A 26 5.791 15.602 8.611 1.00 0.00 C ATOM 340 OE1 GLN A 26 6.872 15.737 7.864 1.00 0.00 O flip ATOM 341 NE2 GLN A 26 5.624 16.244 9.647 1.00 0.00 N flip ATOM 0 H GLN A 26 5.947 11.447 6.069 1.00 0.00 H new ATOM 0 HA GLN A 26 3.805 11.999 7.780 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.071 12.943 7.991 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.866 13.829 6.493 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.023 15.133 7.503 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.194 14.233 8.997 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.775 16.112 10.197 1.00 0.00 H new ATOM 0 HE22 GLN A 26 6.334 16.908 9.955 1.00 0.00 H new ATOM 350 N TRP A 27 3.623 13.483 4.830 1.00 0.00 N ATOM 351 CA TRP A 27 2.693 14.084 3.890 1.00 0.00 C ATOM 352 C TRP A 27 1.769 13.022 3.307 1.00 0.00 C ATOM 353 O TRP A 27 0.584 13.269 3.110 1.00 0.00 O ATOM 354 CB TRP A 27 3.447 14.805 2.764 1.00 0.00 C ATOM 355 CG TRP A 27 2.549 15.266 1.651 1.00 0.00 C ATOM 356 CD1 TRP A 27 1.667 16.308 1.683 1.00 0.00 C ATOM 357 CD2 TRP A 27 2.442 14.690 0.341 1.00 0.00 C ATOM 358 NE1 TRP A 27 1.014 16.410 0.479 1.00 0.00 N ATOM 359 CE2 TRP A 27 1.473 15.430 -0.361 1.00 0.00 C ATOM 360 CE3 TRP A 27 3.067 13.620 -0.303 1.00 0.00 C ATOM 361 CZ2 TRP A 27 1.119 15.135 -1.675 1.00 0.00 C ATOM 362 CZ3 TRP A 27 2.713 13.329 -1.607 1.00 0.00 C ATOM 363 CH2 TRP A 27 1.747 14.086 -2.280 1.00 0.00 C ATOM 0 H TRP A 27 4.576 13.384 4.480 1.00 0.00 H new ATOM 0 HA TRP A 27 2.092 14.818 4.427 1.00 0.00 H new ATOM 0 HB2 TRP A 27 3.971 15.666 3.180 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.205 14.136 2.357 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.506 16.957 2.531 1.00 0.00 H new ATOM 0 HE1 TRP A 27 0.302 17.103 0.248 1.00 0.00 H new ATOM 0 HE3 TRP A 27 3.813 13.031 0.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 0.373 15.716 -2.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.190 12.504 -2.115 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.494 13.834 -3.299 1.00 0.00 H new ATOM 374 N PHE A 28 2.324 11.836 3.063 1.00 0.00 N ATOM 375 CA PHE A 28 1.595 10.740 2.424 1.00 0.00 C ATOM 376 C PHE A 28 0.248 10.475 3.096 1.00 0.00 C ATOM 377 O PHE A 28 -0.805 10.618 2.472 1.00 0.00 O ATOM 378 CB PHE A 28 2.446 9.469 2.443 1.00 0.00 C ATOM 379 CG PHE A 28 1.812 8.289 1.765 1.00 0.00 C ATOM 380 CD1 PHE A 28 1.441 8.356 0.430 1.00 0.00 C ATOM 381 CD2 PHE A 28 1.594 7.111 2.459 1.00 0.00 C ATOM 382 CE1 PHE A 28 0.863 7.269 -0.198 1.00 0.00 C ATOM 383 CE2 PHE A 28 1.017 6.023 1.837 1.00 0.00 C ATOM 384 CZ PHE A 28 0.652 6.100 0.508 1.00 0.00 C ATOM 0 H PHE A 28 3.289 11.607 3.302 1.00 0.00 H new ATOM 0 HA PHE A 28 1.394 11.036 1.394 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.402 9.679 1.962 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.661 9.206 3.479 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.606 9.268 -0.125 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.879 7.043 3.499 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.577 7.333 -1.237 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.851 5.110 2.390 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.202 5.248 0.021 1.00 0.00 H new ATOM 394 N TYR A 29 0.280 10.110 4.369 1.00 0.00 N ATOM 395 CA TYR A 29 -0.939 9.745 5.083 1.00 0.00 C ATOM 396 C TYR A 29 -1.857 10.949 5.281 1.00 0.00 C ATOM 397 O TYR A 29 -3.077 10.804 5.321 1.00 0.00 O ATOM 398 CB TYR A 29 -0.605 9.109 6.432 1.00 0.00 C ATOM 399 CG TYR A 29 -0.015 7.720 6.315 1.00 0.00 C ATOM 400 CD1 TYR A 29 -0.819 6.631 6.012 1.00 0.00 C ATOM 401 CD2 TYR A 29 1.344 7.501 6.504 1.00 0.00 C ATOM 402 CE1 TYR A 29 -0.290 5.360 5.902 1.00 0.00 C ATOM 403 CE2 TYR A 29 1.884 6.232 6.396 1.00 0.00 C ATOM 404 CZ TYR A 29 1.062 5.164 6.095 1.00 0.00 C ATOM 405 OH TYR A 29 1.591 3.897 5.983 1.00 0.00 O ATOM 0 H TYR A 29 1.131 10.058 4.928 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.469 9.016 4.470 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.098 9.750 6.963 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.511 9.061 7.036 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.878 6.780 5.859 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.989 8.335 6.739 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.931 4.524 5.666 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.942 6.077 6.546 1.00 0.00 H new ATOM 0 HH TYR A 29 2.557 3.930 6.147 1.00 0.00 H new ATOM 415 N SER A 30 -1.271 12.131 5.385 1.00 0.00 N ATOM 416 CA SER A 30 -2.045 13.345 5.581 1.00 0.00 C ATOM 417 C SER A 30 -2.770 13.733 4.293 1.00 0.00 C ATOM 418 O SER A 30 -3.911 14.192 4.325 1.00 0.00 O ATOM 419 CB SER A 30 -1.132 14.471 6.058 1.00 0.00 C ATOM 420 OG SER A 30 -0.423 14.076 7.222 1.00 0.00 O ATOM 0 H SER A 30 -0.262 12.275 5.337 1.00 0.00 H new ATOM 0 HA SER A 30 -2.800 13.165 6.346 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.428 14.736 5.269 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.723 15.362 6.270 1.00 0.00 H new ATOM 0 HG SER A 30 0.478 13.783 6.972 1.00 0.00 H new ATOM 426 N GLU A 31 -2.107 13.523 3.158 1.00 0.00 N ATOM 427 CA GLU A 31 -2.708 13.771 1.855 1.00 0.00 C ATOM 428 C GLU A 31 -3.828 12.764 1.603 1.00 0.00 C ATOM 429 O GLU A 31 -4.906 13.110 1.103 1.00 0.00 O ATOM 430 CB GLU A 31 -1.643 13.676 0.755 1.00 0.00 C ATOM 431 CG GLU A 31 -2.137 14.079 -0.625 1.00 0.00 C ATOM 432 CD GLU A 31 -2.623 15.513 -0.681 1.00 0.00 C ATOM 433 OE1 GLU A 31 -3.762 15.785 -0.246 1.00 0.00 O ATOM 434 OE2 GLU A 31 -1.874 16.382 -1.162 1.00 0.00 O ATOM 0 H GLU A 31 -1.147 13.179 3.118 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.129 14.776 1.841 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.799 14.310 1.026 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.272 12.652 0.711 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.332 13.945 -1.347 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.947 13.414 -0.924 1.00 0.00 H new ATOM 441 N LEU A 32 -3.569 11.514 1.972 1.00 0.00 N ATOM 442 CA LEU A 32 -4.577 10.468 1.882 1.00 0.00 C ATOM 443 C LEU A 32 -5.805 10.846 2.701 1.00 0.00 C ATOM 444 O LEU A 32 -6.925 10.676 2.256 1.00 0.00 O ATOM 445 CB LEU A 32 -4.022 9.129 2.371 1.00 0.00 C ATOM 446 CG LEU A 32 -2.870 8.553 1.547 1.00 0.00 C ATOM 447 CD1 LEU A 32 -2.390 7.249 2.161 1.00 0.00 C ATOM 448 CD2 LEU A 32 -3.295 8.337 0.103 1.00 0.00 C ATOM 0 H LEU A 32 -2.669 11.202 2.336 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.861 10.364 0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.684 9.250 3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.834 8.402 2.385 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.048 9.268 1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.570 6.847 1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.045 7.431 3.179 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.210 6.532 2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.460 7.927 -0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.133 7.640 0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.598 9.289 -0.334 1.00 0.00 H new ATOM 460 N LYS A 33 -5.578 11.391 3.887 1.00 0.00 N ATOM 461 CA LYS A 33 -6.665 11.820 4.763 1.00 0.00 C ATOM 462 C LYS A 33 -7.504 12.923 4.111 1.00 0.00 C ATOM 463 O LYS A 33 -8.701 13.043 4.369 1.00 0.00 O ATOM 464 CB LYS A 33 -6.092 12.297 6.102 1.00 0.00 C ATOM 465 CG LYS A 33 -7.116 12.930 7.030 1.00 0.00 C ATOM 466 CD LYS A 33 -6.507 13.264 8.380 1.00 0.00 C ATOM 467 CE LYS A 33 -7.441 14.126 9.214 1.00 0.00 C ATOM 468 NZ LYS A 33 -7.631 15.473 8.615 1.00 0.00 N ATOM 0 H LYS A 33 -4.646 11.548 4.269 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.323 10.969 4.938 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.633 11.449 6.610 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.299 13.019 5.908 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.512 13.837 6.573 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.956 12.249 7.166 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.283 12.343 8.918 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.561 13.786 8.235 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.407 13.630 9.307 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.038 14.230 10.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.992 16.127 9.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.721 15.824 8.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.313 15.412 7.833 1.00 0.00 H new ATOM 482 N ARG A 34 -6.883 13.708 3.244 1.00 0.00 N ATOM 483 CA ARG A 34 -7.576 14.821 2.610 1.00 0.00 C ATOM 484 C ARG A 34 -8.441 14.349 1.440 1.00 0.00 C ATOM 485 O ARG A 34 -9.390 15.033 1.053 1.00 0.00 O ATOM 486 CB ARG A 34 -6.584 15.886 2.131 1.00 0.00 C ATOM 487 CG ARG A 34 -5.743 16.482 3.250 1.00 0.00 C ATOM 488 CD ARG A 34 -5.112 17.810 2.847 1.00 0.00 C ATOM 489 NE ARG A 34 -4.200 17.696 1.705 1.00 0.00 N ATOM 490 CZ ARG A 34 -3.413 18.690 1.285 1.00 0.00 C ATOM 491 NH1 ARG A 34 -3.401 19.849 1.928 1.00 0.00 N ATOM 492 NH2 ARG A 34 -2.627 18.521 0.230 1.00 0.00 N ATOM 0 H ARG A 34 -5.908 13.597 2.964 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.229 15.263 3.362 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.922 15.445 1.386 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.134 16.686 1.635 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.366 16.630 4.132 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.959 15.778 3.528 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.902 18.520 2.603 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.568 18.219 3.698 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.164 16.809 1.203 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.994 19.984 2.747 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.799 20.606 1.604 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.622 17.629 -0.264 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.028 19.283 -0.087 1.00 0.00 H new ATOM 506 N HIS A 35 -8.122 13.185 0.874 1.00 0.00 N ATOM 507 CA HIS A 35 -8.859 12.689 -0.295 1.00 0.00 C ATOM 508 C HIS A 35 -9.491 11.330 -0.027 1.00 0.00 C ATOM 509 O HIS A 35 -10.700 11.148 -0.191 1.00 0.00 O ATOM 510 CB HIS A 35 -7.937 12.584 -1.516 1.00 0.00 C ATOM 511 CG HIS A 35 -7.197 13.845 -1.825 1.00 0.00 C ATOM 512 ND1 HIS A 35 -7.819 15.005 -2.221 1.00 0.00 N ATOM 513 CD2 HIS A 35 -5.879 14.129 -1.765 1.00 0.00 C ATOM 514 CE1 HIS A 35 -6.915 15.948 -2.392 1.00 0.00 C ATOM 515 NE2 HIS A 35 -5.723 15.447 -2.118 1.00 0.00 N ATOM 0 H HIS A 35 -7.371 12.574 1.197 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.653 13.408 -0.498 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.217 11.783 -1.348 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.531 12.301 -2.385 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.090 13.444 -1.490 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.115 16.962 -2.704 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.838 15.953 -2.161 1.00 0.00 H new ATOM 524 N ASN A 36 -8.665 10.385 0.382 1.00 0.00 N ATOM 525 CA ASN A 36 -9.091 9.013 0.604 1.00 0.00 C ATOM 526 C ASN A 36 -9.802 8.891 1.941 1.00 0.00 C ATOM 527 O ASN A 36 -9.212 8.479 2.939 1.00 0.00 O ATOM 528 CB ASN A 36 -7.893 8.055 0.581 1.00 0.00 C ATOM 529 CG ASN A 36 -7.118 8.080 -0.726 1.00 0.00 C ATOM 530 OD1 ASN A 36 -7.050 9.095 -1.418 1.00 0.00 O ATOM 531 ND2 ASN A 36 -6.516 6.954 -1.067 1.00 0.00 N ATOM 0 H ASN A 36 -7.676 10.547 0.571 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.775 8.743 -0.200 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.219 8.310 1.398 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -8.246 7.040 0.765 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.973 6.907 -1.929 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.595 6.132 -0.468 1.00 0.00 H new ATOM 538 N VAL A 37 -11.061 9.282 1.958 1.00 0.00 N ATOM 539 CA VAL A 37 -11.875 9.205 3.162 1.00 0.00 C ATOM 540 C VAL A 37 -12.098 7.751 3.576 1.00 0.00 C ATOM 541 O VAL A 37 -12.253 7.449 4.758 1.00 0.00 O ATOM 542 CB VAL A 37 -13.236 9.907 2.953 1.00 0.00 C ATOM 543 CG1 VAL A 37 -14.049 9.923 4.238 1.00 0.00 C ATOM 544 CG2 VAL A 37 -13.027 11.325 2.441 1.00 0.00 C ATOM 0 H VAL A 37 -11.549 9.660 1.146 1.00 0.00 H new ATOM 0 HA VAL A 37 -11.336 9.717 3.959 1.00 0.00 H new ATOM 0 HB VAL A 37 -13.796 9.342 2.208 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -15.001 10.423 4.060 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -14.232 8.900 4.565 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -13.497 10.458 5.011 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -13.994 11.807 2.299 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -12.443 11.891 3.166 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -12.494 11.294 1.491 1.00 0.00 H new ATOM 554 N SER A 38 -12.109 6.850 2.600 1.00 0.00 N ATOM 555 CA SER A 38 -12.307 5.440 2.880 1.00 0.00 C ATOM 556 C SER A 38 -11.004 4.649 2.718 1.00 0.00 C ATOM 557 O SER A 38 -10.260 4.482 3.682 1.00 0.00 O ATOM 558 CB SER A 38 -13.410 4.865 1.990 1.00 0.00 C ATOM 559 OG SER A 38 -13.744 3.538 2.372 1.00 0.00 O ATOM 0 H SER A 38 -11.983 7.073 1.613 1.00 0.00 H new ATOM 0 HA SER A 38 -12.620 5.346 3.920 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.296 5.497 2.051 1.00 0.00 H new ATOM 0 HB3 SER A 38 -13.083 4.875 0.950 1.00 0.00 H new ATOM 0 HG SER A 38 -13.019 2.931 2.114 1.00 0.00 H new ATOM 565 N HIS A 39 -10.702 4.186 1.502 1.00 0.00 N ATOM 566 CA HIS A 39 -9.574 3.269 1.316 1.00 0.00 C ATOM 567 C HIS A 39 -9.121 3.202 -0.142 1.00 0.00 C ATOM 568 O HIS A 39 -9.900 3.449 -1.059 1.00 0.00 O ATOM 569 CB HIS A 39 -9.957 1.858 1.795 1.00 0.00 C ATOM 570 CG HIS A 39 -11.087 1.226 1.029 1.00 0.00 C ATOM 571 ND1 HIS A 39 -12.416 1.404 1.349 1.00 0.00 N ATOM 572 CD2 HIS A 39 -11.074 0.410 -0.053 1.00 0.00 C ATOM 573 CE1 HIS A 39 -13.168 0.728 0.503 1.00 0.00 C ATOM 574 NE2 HIS A 39 -12.380 0.116 -0.361 1.00 0.00 N ATOM 0 H HIS A 39 -11.209 4.424 0.650 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.744 3.654 1.909 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.081 1.213 1.724 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.232 1.907 2.849 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.198 0.056 -0.577 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -14.247 0.683 0.515 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.690 -0.477 -1.131 1.00 0.00 H new ATOM 583 N TYR A 40 -7.860 2.843 -0.343 1.00 0.00 N ATOM 584 CA TYR A 40 -7.337 2.591 -1.678 1.00 0.00 C ATOM 585 C TYR A 40 -6.708 1.206 -1.723 1.00 0.00 C ATOM 586 O TYR A 40 -6.116 0.753 -0.735 1.00 0.00 O ATOM 587 CB TYR A 40 -6.313 3.660 -2.096 1.00 0.00 C ATOM 588 CG TYR A 40 -4.993 3.593 -1.355 1.00 0.00 C ATOM 589 CD1 TYR A 40 -4.801 4.285 -0.166 1.00 0.00 C ATOM 590 CD2 TYR A 40 -3.934 2.838 -1.853 1.00 0.00 C ATOM 591 CE1 TYR A 40 -3.598 4.222 0.507 1.00 0.00 C ATOM 592 CE2 TYR A 40 -2.728 2.770 -1.183 1.00 0.00 C ATOM 593 CZ TYR A 40 -2.565 3.465 -0.004 1.00 0.00 C ATOM 594 OH TYR A 40 -1.371 3.395 0.676 1.00 0.00 O ATOM 0 H TYR A 40 -7.178 2.720 0.406 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.164 2.639 -2.386 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -6.120 3.562 -3.164 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.752 4.645 -1.941 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.606 4.882 0.238 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.058 2.296 -2.779 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.466 4.764 1.432 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.918 2.176 -1.580 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.157 4.274 1.052 1.00 0.00 H new ATOM 604 N ILE A 41 -6.852 0.530 -2.854 1.00 0.00 N ATOM 605 CA ILE A 41 -6.306 -0.807 -3.020 1.00 0.00 C ATOM 606 C ILE A 41 -5.108 -0.771 -3.955 1.00 0.00 C ATOM 607 O ILE A 41 -5.248 -0.536 -5.158 1.00 0.00 O ATOM 608 CB ILE A 41 -7.346 -1.812 -3.580 1.00 0.00 C ATOM 609 CG1 ILE A 41 -8.624 -1.831 -2.729 1.00 0.00 C ATOM 610 CG2 ILE A 41 -6.744 -3.210 -3.646 1.00 0.00 C ATOM 611 CD1 ILE A 41 -9.616 -0.742 -3.082 1.00 0.00 C ATOM 0 H ILE A 41 -7.344 0.888 -3.672 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.009 -1.147 -2.028 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.615 -1.487 -4.585 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.109 -2.801 -2.842 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.350 -1.732 -1.679 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.484 -3.906 -4.041 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.871 -3.200 -4.298 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.446 -3.525 -2.646 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.491 -0.823 -2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.151 0.234 -2.941 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.921 -0.851 -4.123 1.00 0.00 H new ATOM 623 N TYR A 42 -3.937 -0.978 -3.390 1.00 0.00 N ATOM 624 CA TYR A 42 -2.706 -1.040 -4.153 1.00 0.00 C ATOM 625 C TYR A 42 -2.391 -2.497 -4.475 1.00 0.00 C ATOM 626 O TYR A 42 -2.100 -3.289 -3.580 1.00 0.00 O ATOM 627 CB TYR A 42 -1.573 -0.404 -3.335 1.00 0.00 C ATOM 628 CG TYR A 42 -0.262 -0.228 -4.071 1.00 0.00 C ATOM 629 CD1 TYR A 42 0.543 -1.317 -4.390 1.00 0.00 C ATOM 630 CD2 TYR A 42 0.181 1.037 -4.423 1.00 0.00 C ATOM 631 CE1 TYR A 42 1.746 -1.146 -5.044 1.00 0.00 C ATOM 632 CE2 TYR A 42 1.381 1.215 -5.079 1.00 0.00 C ATOM 633 CZ TYR A 42 2.160 0.120 -5.386 1.00 0.00 C ATOM 634 OH TYR A 42 3.358 0.290 -6.038 1.00 0.00 O ATOM 0 H TYR A 42 -3.811 -1.108 -2.386 1.00 0.00 H new ATOM 0 HA TYR A 42 -2.811 -0.490 -5.088 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -1.906 0.572 -2.982 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.395 -1.019 -2.453 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.221 -2.312 -4.121 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.424 1.898 -4.179 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.359 -2.002 -5.286 1.00 0.00 H new ATOM 0 HE2 TYR A 42 1.709 2.207 -5.351 1.00 0.00 H new ATOM 0 HH TYR A 42 3.534 -0.488 -6.608 1.00 0.00 H new ATOM 644 N TYR A 43 -2.483 -2.862 -5.743 1.00 0.00 N ATOM 645 CA TYR A 43 -2.200 -4.227 -6.148 1.00 0.00 C ATOM 646 C TYR A 43 -0.711 -4.413 -6.396 1.00 0.00 C ATOM 647 O TYR A 43 -0.139 -3.789 -7.296 1.00 0.00 O ATOM 648 CB TYR A 43 -2.982 -4.594 -7.411 1.00 0.00 C ATOM 649 CG TYR A 43 -4.482 -4.637 -7.222 1.00 0.00 C ATOM 650 CD1 TYR A 43 -5.095 -5.726 -6.614 1.00 0.00 C ATOM 651 CD2 TYR A 43 -5.288 -3.593 -7.662 1.00 0.00 C ATOM 652 CE1 TYR A 43 -6.466 -5.775 -6.452 1.00 0.00 C ATOM 653 CE2 TYR A 43 -6.660 -3.634 -7.501 1.00 0.00 C ATOM 654 CZ TYR A 43 -7.243 -4.727 -6.898 1.00 0.00 C ATOM 655 OH TYR A 43 -8.606 -4.772 -6.737 1.00 0.00 O ATOM 0 H TYR A 43 -2.749 -2.237 -6.504 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.512 -4.887 -5.338 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.746 -3.872 -8.193 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.644 -5.568 -7.764 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.489 -6.548 -6.262 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -4.834 -2.736 -8.137 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -6.927 -6.629 -5.979 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.272 -2.814 -7.846 1.00 0.00 H new ATOM 0 HH TYR A 43 -9.006 -3.956 -7.104 1.00 0.00 H new ATOM 665 N LEU A 44 -0.081 -5.259 -5.594 1.00 0.00 N ATOM 666 CA LEU A 44 1.322 -5.585 -5.796 1.00 0.00 C ATOM 667 C LEU A 44 1.482 -6.412 -7.063 1.00 0.00 C ATOM 668 O LEU A 44 0.507 -6.967 -7.571 1.00 0.00 O ATOM 669 CB LEU A 44 1.913 -6.349 -4.601 1.00 0.00 C ATOM 670 CG LEU A 44 2.157 -5.524 -3.333 1.00 0.00 C ATOM 671 CD1 LEU A 44 0.885 -5.398 -2.511 1.00 0.00 C ATOM 672 CD2 LEU A 44 3.269 -6.146 -2.500 1.00 0.00 C ATOM 0 H LEU A 44 -0.517 -5.730 -4.801 1.00 0.00 H new ATOM 0 HA LEU A 44 1.868 -4.646 -5.892 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.242 -7.171 -4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.859 -6.792 -4.910 1.00 0.00 H new ATOM 0 HG LEU A 44 2.465 -4.523 -3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.087 -4.808 -1.617 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.115 -4.905 -3.105 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.540 -6.390 -2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.430 -5.548 -1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.986 -7.159 -2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.188 -6.177 -3.085 1.00 0.00 H new ATOM 684 N ALA A 45 2.712 -6.457 -7.579 1.00 0.00 N ATOM 685 CA ALA A 45 3.053 -7.227 -8.782 1.00 0.00 C ATOM 686 C ALA A 45 2.538 -6.559 -10.057 1.00 0.00 C ATOM 687 O ALA A 45 3.068 -6.802 -11.142 1.00 0.00 O ATOM 688 CB ALA A 45 2.543 -8.662 -8.680 1.00 0.00 C ATOM 0 H ALA A 45 3.505 -5.959 -7.174 1.00 0.00 H new ATOM 0 HA ALA A 45 4.141 -7.252 -8.845 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.810 -9.208 -9.585 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.995 -9.148 -7.816 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.459 -8.656 -8.567 1.00 0.00 H new ATOM 694 N THR A 46 1.525 -5.715 -9.930 1.00 0.00 N ATOM 695 CA THR A 46 0.949 -5.040 -11.083 1.00 0.00 C ATOM 696 C THR A 46 1.122 -3.524 -11.001 1.00 0.00 C ATOM 697 O THR A 46 1.092 -2.839 -12.024 1.00 0.00 O ATOM 698 CB THR A 46 -0.547 -5.372 -11.225 1.00 0.00 C ATOM 699 OG1 THR A 46 -1.212 -5.151 -9.978 1.00 0.00 O ATOM 700 CG2 THR A 46 -0.746 -6.815 -11.663 1.00 0.00 C ATOM 0 H THR A 46 1.085 -5.481 -9.040 1.00 0.00 H new ATOM 0 HA THR A 46 1.487 -5.403 -11.959 1.00 0.00 H new ATOM 0 HB THR A 46 -0.972 -4.719 -11.988 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.164 -5.362 -10.073 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.812 -7.023 -11.756 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.260 -6.973 -12.626 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.309 -7.484 -10.922 1.00 0.00 H new ATOM 708 N GLU A 47 1.290 -3.005 -9.783 1.00 0.00 N ATOM 709 CA GLU A 47 1.467 -1.566 -9.560 1.00 0.00 C ATOM 710 C GLU A 47 0.191 -0.803 -9.911 1.00 0.00 C ATOM 711 O GLU A 47 0.231 0.386 -10.222 1.00 0.00 O ATOM 712 CB GLU A 47 2.647 -1.024 -10.381 1.00 0.00 C ATOM 713 CG GLU A 47 3.982 -1.658 -10.033 1.00 0.00 C ATOM 714 CD GLU A 47 4.452 -1.301 -8.640 1.00 0.00 C ATOM 715 OE1 GLU A 47 3.827 -1.756 -7.659 1.00 0.00 O ATOM 716 OE2 GLU A 47 5.442 -0.551 -8.516 1.00 0.00 O ATOM 0 H GLU A 47 1.307 -3.563 -8.930 1.00 0.00 H new ATOM 0 HA GLU A 47 1.684 -1.417 -8.502 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.444 -1.185 -11.440 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.717 0.053 -10.230 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.898 -2.741 -10.117 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.731 -1.339 -10.758 1.00 0.00 H new ATOM 723 N ASN A 48 -0.942 -1.493 -9.861 1.00 0.00 N ATOM 724 CA ASN A 48 -2.225 -0.869 -10.161 1.00 0.00 C ATOM 725 C ASN A 48 -2.894 -0.405 -8.879 1.00 0.00 C ATOM 726 O ASN A 48 -3.279 -1.217 -8.037 1.00 0.00 O ATOM 727 CB ASN A 48 -3.151 -1.827 -10.925 1.00 0.00 C ATOM 728 CG ASN A 48 -2.766 -1.997 -12.389 1.00 0.00 C ATOM 729 OD1 ASN A 48 -3.624 -2.185 -13.250 1.00 0.00 O ATOM 730 ND2 ASN A 48 -1.480 -1.945 -12.687 1.00 0.00 N ATOM 0 H ASN A 48 -0.999 -2.482 -9.616 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.036 -0.006 -10.800 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -3.137 -2.802 -10.437 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.174 -1.456 -10.866 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.175 -2.062 -13.653 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.792 -1.788 -11.951 1.00 0.00 H new ATOM 737 N VAL A 49 -3.018 0.901 -8.727 1.00 0.00 N ATOM 738 CA VAL A 49 -3.579 1.480 -7.515 1.00 0.00 C ATOM 739 C VAL A 49 -5.016 1.930 -7.753 1.00 0.00 C ATOM 740 O VAL A 49 -5.280 2.741 -8.634 1.00 0.00 O ATOM 741 CB VAL A 49 -2.750 2.690 -7.035 1.00 0.00 C ATOM 742 CG1 VAL A 49 -3.053 3.010 -5.576 1.00 0.00 C ATOM 743 CG2 VAL A 49 -1.260 2.443 -7.239 1.00 0.00 C ATOM 0 H VAL A 49 -2.737 1.585 -9.430 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.556 0.707 -6.747 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.034 3.554 -7.636 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.457 3.866 -5.260 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.112 3.245 -5.467 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.807 2.148 -4.956 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.697 3.310 -6.893 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.956 1.563 -6.672 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.060 2.279 -8.298 1.00 0.00 H new ATOM 753 N HIS A 50 -5.945 1.390 -6.983 1.00 0.00 N ATOM 754 CA HIS A 50 -7.348 1.768 -7.095 1.00 0.00 C ATOM 755 C HIS A 50 -7.770 2.592 -5.888 1.00 0.00 C ATOM 756 O HIS A 50 -7.994 2.054 -4.803 1.00 0.00 O ATOM 757 CB HIS A 50 -8.243 0.529 -7.232 1.00 0.00 C ATOM 758 CG HIS A 50 -8.174 -0.127 -8.579 1.00 0.00 C ATOM 759 ND1 HIS A 50 -9.285 -0.376 -9.353 1.00 0.00 N ATOM 760 CD2 HIS A 50 -7.120 -0.605 -9.283 1.00 0.00 C ATOM 761 CE1 HIS A 50 -8.919 -0.977 -10.468 1.00 0.00 C ATOM 762 NE2 HIS A 50 -7.610 -1.130 -10.454 1.00 0.00 N ATOM 0 H HIS A 50 -5.754 0.686 -6.270 1.00 0.00 H new ATOM 0 HA HIS A 50 -7.466 2.373 -7.994 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -7.959 -0.197 -6.470 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -9.275 0.815 -7.031 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -6.084 -0.578 -8.979 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -9.582 -1.292 -11.261 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -7.054 -1.565 -11.190 1.00 0.00 H new ATOM 771 N ILE A 51 -7.858 3.900 -6.079 1.00 0.00 N ATOM 772 CA ILE A 51 -8.211 4.818 -5.007 1.00 0.00 C ATOM 773 C ILE A 51 -9.712 5.058 -4.977 1.00 0.00 C ATOM 774 O ILE A 51 -10.263 5.702 -5.871 1.00 0.00 O ATOM 775 CB ILE A 51 -7.500 6.190 -5.147 1.00 0.00 C ATOM 776 CG1 ILE A 51 -5.978 6.045 -5.054 1.00 0.00 C ATOM 777 CG2 ILE A 51 -7.999 7.163 -4.091 1.00 0.00 C ATOM 778 CD1 ILE A 51 -5.316 5.626 -6.349 1.00 0.00 C ATOM 0 H ILE A 51 -7.688 4.353 -6.977 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.882 4.346 -4.081 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.742 6.585 -6.134 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.552 6.995 -4.732 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.740 5.312 -4.283 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.488 8.119 -4.207 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.073 7.309 -4.209 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.795 6.760 -3.099 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.239 5.546 -6.198 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.711 4.660 -6.664 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.520 6.370 -7.119 1.00 0.00 H new ATOM 790 N VAL A 52 -10.372 4.533 -3.960 1.00 0.00 N ATOM 791 CA VAL A 52 -11.780 4.819 -3.748 1.00 0.00 C ATOM 792 C VAL A 52 -11.909 5.884 -2.673 1.00 0.00 C ATOM 793 O VAL A 52 -11.627 5.623 -1.504 1.00 0.00 O ATOM 794 CB VAL A 52 -12.578 3.568 -3.328 1.00 0.00 C ATOM 795 CG1 VAL A 52 -14.071 3.866 -3.315 1.00 0.00 C ATOM 796 CG2 VAL A 52 -12.275 2.396 -4.246 1.00 0.00 C ATOM 0 H VAL A 52 -9.957 3.908 -3.269 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.196 5.167 -4.694 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.271 3.294 -2.319 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -14.618 2.972 -3.016 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -14.275 4.670 -2.608 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -14.390 4.170 -4.312 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.850 1.527 -3.928 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.546 2.656 -5.269 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.211 2.163 -4.200 1.00 0.00 H new ATOM 806 N LEU A 53 -12.317 7.082 -3.080 1.00 0.00 N ATOM 807 CA LEU A 53 -12.371 8.224 -2.177 1.00 0.00 C ATOM 808 C LEU A 53 -13.199 7.911 -0.943 1.00 0.00 C ATOM 809 O LEU A 53 -12.660 7.700 0.137 1.00 0.00 O ATOM 810 CB LEU A 53 -12.940 9.446 -2.896 1.00 0.00 C ATOM 811 CG LEU A 53 -12.064 9.993 -4.024 1.00 0.00 C ATOM 812 CD1 LEU A 53 -12.617 11.311 -4.532 1.00 0.00 C ATOM 813 CD2 LEU A 53 -10.625 10.160 -3.558 1.00 0.00 C ATOM 0 H LEU A 53 -12.616 7.286 -4.034 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.353 8.444 -1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -13.916 9.187 -3.306 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -13.102 10.238 -2.164 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.074 9.275 -4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.982 11.687 -5.334 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -13.628 11.160 -4.910 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -12.639 12.035 -3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -10.020 10.550 -4.377 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.593 10.856 -2.719 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.230 9.194 -3.244 1.00 0.00 H new ATOM 825 N LYS A 54 -14.505 7.893 -1.107 1.00 0.00 N ATOM 826 CA LYS A 54 -15.390 7.454 -0.042 1.00 0.00 C ATOM 827 C LYS A 54 -16.216 6.269 -0.525 1.00 0.00 C ATOM 828 O LYS A 54 -16.524 5.353 0.241 1.00 0.00 O ATOM 829 CB LYS A 54 -16.302 8.605 0.384 1.00 0.00 C ATOM 830 CG LYS A 54 -17.281 8.246 1.484 1.00 0.00 C ATOM 831 CD LYS A 54 -18.219 9.402 1.771 1.00 0.00 C ATOM 832 CE LYS A 54 -19.286 9.018 2.775 1.00 0.00 C ATOM 833 NZ LYS A 54 -20.287 10.101 2.952 1.00 0.00 N ATOM 0 H LYS A 54 -14.979 8.176 -1.965 1.00 0.00 H new ATOM 0 HA LYS A 54 -14.799 7.145 0.820 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.685 9.438 0.720 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -16.860 8.952 -0.485 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -17.858 7.369 1.191 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -16.736 7.981 2.390 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -17.648 10.249 2.152 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -18.691 9.727 0.844 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -19.788 8.109 2.443 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -18.820 8.793 3.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -21.002 9.803 3.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -19.811 10.961 3.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -20.750 10.298 2.042 1.00 0.00 H new ATOM 847 N ASN A 55 -16.512 6.305 -1.823 1.00 0.00 N ATOM 848 CA ASN A 55 -17.387 5.346 -2.510 1.00 0.00 C ATOM 849 C ASN A 55 -17.951 6.042 -3.738 1.00 0.00 C ATOM 850 O ASN A 55 -18.416 5.413 -4.689 1.00 0.00 O ATOM 851 CB ASN A 55 -18.553 4.877 -1.627 1.00 0.00 C ATOM 852 CG ASN A 55 -19.347 3.749 -2.262 1.00 0.00 C ATOM 853 OD1 ASN A 55 -18.806 2.933 -3.014 1.00 0.00 O ATOM 854 ND2 ASN A 55 -20.633 3.684 -1.954 1.00 0.00 N ATOM 0 H ASN A 55 -16.141 7.021 -2.447 1.00 0.00 H new ATOM 0 HA ASN A 55 -16.801 4.463 -2.767 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -18.165 4.546 -0.664 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -19.217 5.719 -1.431 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -21.213 2.940 -2.342 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -21.043 4.377 -1.329 1.00 0.00 H new ATOM 861 N ASP A 56 -17.885 7.365 -3.690 1.00 0.00 N ATOM 862 CA ASP A 56 -18.378 8.232 -4.743 1.00 0.00 C ATOM 863 C ASP A 56 -17.491 8.158 -5.981 1.00 0.00 C ATOM 864 O ASP A 56 -17.979 7.951 -7.093 1.00 0.00 O ATOM 865 CB ASP A 56 -18.460 9.676 -4.221 1.00 0.00 C ATOM 866 CG ASP A 56 -17.154 10.184 -3.604 1.00 0.00 C ATOM 867 OD1 ASP A 56 -16.377 9.363 -3.046 1.00 0.00 O ATOM 868 OD2 ASP A 56 -16.903 11.406 -3.668 1.00 0.00 O ATOM 0 H ASP A 56 -17.480 7.872 -2.903 1.00 0.00 H new ATOM 0 HA ASP A 56 -19.373 7.896 -5.034 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.743 10.334 -5.042 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -19.252 9.739 -3.475 1.00 0.00 H new ATOM 873 N ASN A 57 -16.191 8.308 -5.788 1.00 0.00 N ATOM 874 CA ASN A 57 -15.255 8.309 -6.904 1.00 0.00 C ATOM 875 C ASN A 57 -14.182 7.243 -6.724 1.00 0.00 C ATOM 876 O ASN A 57 -13.832 6.878 -5.598 1.00 0.00 O ATOM 877 CB ASN A 57 -14.604 9.692 -7.038 1.00 0.00 C ATOM 878 CG ASN A 57 -13.668 9.796 -8.230 1.00 0.00 C ATOM 879 OD1 ASN A 57 -13.890 9.181 -9.272 1.00 0.00 O ATOM 880 ND2 ASN A 57 -12.604 10.570 -8.080 1.00 0.00 N ATOM 0 H ASN A 57 -15.759 8.430 -4.872 1.00 0.00 H new ATOM 0 HA ASN A 57 -15.810 8.080 -7.814 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -15.385 10.447 -7.129 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -14.049 9.916 -6.127 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.935 10.671 -8.844 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.453 11.065 -7.201 1.00 0.00 H new ATOM 887 N THR A 58 -13.673 6.739 -7.838 1.00 0.00 N ATOM 888 CA THR A 58 -12.606 5.758 -7.826 1.00 0.00 C ATOM 889 C THR A 58 -11.591 6.063 -8.926 1.00 0.00 C ATOM 890 O THR A 58 -11.906 5.993 -10.115 1.00 0.00 O ATOM 891 CB THR A 58 -13.163 4.333 -8.013 1.00 0.00 C ATOM 892 OG1 THR A 58 -14.159 4.071 -7.015 1.00 0.00 O ATOM 893 CG2 THR A 58 -12.057 3.289 -7.914 1.00 0.00 C ATOM 0 H THR A 58 -13.989 7.000 -8.772 1.00 0.00 H new ATOM 0 HA THR A 58 -12.112 5.813 -6.856 1.00 0.00 H new ATOM 0 HB THR A 58 -13.605 4.269 -9.007 1.00 0.00 H new ATOM 0 HG1 THR A 58 -14.513 3.165 -7.136 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.482 2.295 -8.050 1.00 0.00 H new ATOM 0 HG22 THR A 58 -11.312 3.474 -8.688 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.585 3.351 -6.933 1.00 0.00 H new ATOM 901 N VAL A 59 -10.381 6.413 -8.519 1.00 0.00 N ATOM 902 CA VAL A 59 -9.316 6.747 -9.452 1.00 0.00 C ATOM 903 C VAL A 59 -8.318 5.595 -9.517 1.00 0.00 C ATOM 904 O VAL A 59 -7.820 5.145 -8.486 1.00 0.00 O ATOM 905 CB VAL A 59 -8.586 8.042 -9.025 1.00 0.00 C ATOM 906 CG1 VAL A 59 -7.628 8.510 -10.106 1.00 0.00 C ATOM 907 CG2 VAL A 59 -9.586 9.138 -8.694 1.00 0.00 C ATOM 0 H VAL A 59 -10.110 6.473 -7.537 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.758 6.913 -10.434 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.006 7.819 -8.129 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.128 9.422 -9.779 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.884 7.736 -10.293 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.183 8.709 -11.023 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.052 10.040 -8.396 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.196 9.351 -9.572 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.228 8.810 -7.877 1.00 0.00 H new ATOM 917 N LEU A 60 -8.045 5.102 -10.712 1.00 0.00 N ATOM 918 CA LEU A 60 -7.137 3.977 -10.868 1.00 0.00 C ATOM 919 C LEU A 60 -5.843 4.408 -11.543 1.00 0.00 C ATOM 920 O LEU A 60 -5.853 4.945 -12.649 1.00 0.00 O ATOM 921 CB LEU A 60 -7.787 2.821 -11.651 1.00 0.00 C ATOM 922 CG LEU A 60 -8.207 3.122 -13.098 1.00 0.00 C ATOM 923 CD1 LEU A 60 -8.369 1.825 -13.881 1.00 0.00 C ATOM 924 CD2 LEU A 60 -9.509 3.908 -13.131 1.00 0.00 C ATOM 0 H LEU A 60 -8.435 5.459 -11.584 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.904 3.614 -9.867 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.089 1.984 -11.666 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.669 2.491 -11.102 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.425 3.725 -13.559 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.667 2.053 -14.905 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.422 1.285 -13.890 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.134 1.208 -13.409 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.786 4.109 -14.166 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.297 3.328 -12.651 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.378 4.851 -12.600 1.00 0.00 H new ATOM 936 N LEU A 61 -4.737 4.179 -10.856 1.00 0.00 N ATOM 937 CA LEU A 61 -3.421 4.483 -11.387 1.00 0.00 C ATOM 938 C LEU A 61 -2.767 3.193 -11.860 1.00 0.00 C ATOM 939 O LEU A 61 -2.355 2.362 -11.047 1.00 0.00 O ATOM 940 CB LEU A 61 -2.546 5.136 -10.310 1.00 0.00 C ATOM 941 CG LEU A 61 -3.264 6.144 -9.408 1.00 0.00 C ATOM 942 CD1 LEU A 61 -2.358 6.571 -8.269 1.00 0.00 C ATOM 943 CD2 LEU A 61 -3.710 7.358 -10.207 1.00 0.00 C ATOM 0 H LEU A 61 -4.726 3.779 -9.918 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.524 5.178 -12.220 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.122 4.351 -9.684 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.712 5.640 -10.799 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.148 5.661 -8.992 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.882 7.288 -7.636 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.082 5.698 -7.677 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.458 7.034 -8.674 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.218 8.061 -9.547 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.840 7.841 -10.651 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.393 7.043 -10.996 1.00 0.00 H new ATOM 955 N LYS A 62 -2.703 3.003 -13.167 1.00 0.00 N ATOM 956 CA LYS A 62 -2.143 1.781 -13.722 1.00 0.00 C ATOM 957 C LYS A 62 -0.647 1.947 -13.957 1.00 0.00 C ATOM 958 O LYS A 62 -0.225 2.712 -14.823 1.00 0.00 O ATOM 959 CB LYS A 62 -2.857 1.410 -15.025 1.00 0.00 C ATOM 960 CG LYS A 62 -2.589 -0.014 -15.476 1.00 0.00 C ATOM 961 CD LYS A 62 -3.372 -0.360 -16.731 1.00 0.00 C ATOM 962 CE LYS A 62 -3.289 -1.845 -17.044 1.00 0.00 C ATOM 963 NZ LYS A 62 -3.957 -2.670 -16.000 1.00 0.00 N ATOM 0 H LYS A 62 -3.030 3.675 -13.861 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.293 0.971 -13.008 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.931 1.545 -14.893 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.543 2.097 -15.811 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.523 -0.142 -15.665 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.857 -0.706 -14.677 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.415 -0.071 -16.602 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.984 0.213 -17.573 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.752 -2.039 -18.011 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.243 -2.141 -17.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.791 -3.678 -16.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.568 -2.430 -15.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.979 -2.479 -16.008 1.00 0.00 H new ATOM 1039 N ILE A 67 5.583 -6.324 -12.439 1.00 0.00 N ATOM 1040 CA ILE A 67 6.646 -6.185 -11.455 1.00 0.00 C ATOM 1041 C ILE A 67 6.568 -7.372 -10.490 1.00 0.00 C ATOM 1042 O ILE A 67 7.129 -7.363 -9.390 1.00 0.00 O ATOM 1043 CB ILE A 67 6.534 -4.830 -10.699 1.00 0.00 C ATOM 1044 CG1 ILE A 67 7.874 -4.448 -10.071 1.00 0.00 C ATOM 1045 CG2 ILE A 67 5.443 -4.869 -9.641 1.00 0.00 C ATOM 1046 CD1 ILE A 67 8.945 -4.153 -11.097 1.00 0.00 C ATOM 0 HA ILE A 67 7.615 -6.186 -11.954 1.00 0.00 H new ATOM 0 HB ILE A 67 6.262 -4.069 -11.430 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.735 -3.572 -9.437 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.211 -5.259 -9.425 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.394 -3.906 -9.133 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.484 -5.079 -10.115 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.668 -5.650 -8.915 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.872 -3.888 -10.589 1.00 0.00 H new ATOM 0 HD12 ILE A 67 9.109 -5.035 -11.715 1.00 0.00 H new ATOM 0 HD13 ILE A 67 8.626 -3.323 -11.727 1.00 0.00 H new ATOM 1058 N VAL A 68 5.882 -8.418 -10.960 1.00 0.00 N ATOM 1059 CA VAL A 68 5.568 -9.590 -10.156 1.00 0.00 C ATOM 1060 C VAL A 68 6.814 -10.211 -9.522 1.00 0.00 C ATOM 1061 O VAL A 68 7.704 -10.722 -10.201 1.00 0.00 O ATOM 1062 CB VAL A 68 4.798 -10.649 -10.989 1.00 0.00 C ATOM 1063 CG1 VAL A 68 5.549 -11.007 -12.262 1.00 0.00 C ATOM 1064 CG2 VAL A 68 4.515 -11.894 -10.161 1.00 0.00 C ATOM 0 H VAL A 68 5.529 -8.470 -11.916 1.00 0.00 H new ATOM 0 HA VAL A 68 4.925 -9.249 -9.344 1.00 0.00 H new ATOM 0 HB VAL A 68 3.844 -10.209 -11.278 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.982 -11.751 -12.822 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.677 -10.113 -12.873 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.527 -11.414 -12.005 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.975 -12.620 -10.769 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.456 -12.330 -9.826 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.911 -11.625 -9.294 1.00 0.00 H new ATOM 1074 N SER A 69 6.875 -10.114 -8.205 1.00 0.00 N ATOM 1075 CA SER A 69 7.925 -10.744 -7.424 1.00 0.00 C ATOM 1076 C SER A 69 7.301 -11.443 -6.225 1.00 0.00 C ATOM 1077 O SER A 69 7.991 -11.857 -5.293 1.00 0.00 O ATOM 1078 CB SER A 69 8.932 -9.690 -6.959 1.00 0.00 C ATOM 1079 OG SER A 69 9.413 -8.925 -8.055 1.00 0.00 O ATOM 0 H SER A 69 6.197 -9.596 -7.647 1.00 0.00 H new ATOM 0 HA SER A 69 8.450 -11.477 -8.036 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.462 -9.030 -6.229 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.768 -10.177 -6.457 1.00 0.00 H new ATOM 0 HG SER A 69 8.689 -8.365 -8.405 1.00 0.00 H new ATOM 1085 N VAL A 70 5.980 -11.577 -6.275 1.00 0.00 N ATOM 1086 CA VAL A 70 5.213 -12.120 -5.167 1.00 0.00 C ATOM 1087 C VAL A 70 5.088 -13.631 -5.294 1.00 0.00 C ATOM 1088 O VAL A 70 4.811 -14.154 -6.376 1.00 0.00 O ATOM 1089 CB VAL A 70 3.800 -11.501 -5.104 1.00 0.00 C ATOM 1090 CG1 VAL A 70 3.129 -11.825 -3.777 1.00 0.00 C ATOM 1091 CG2 VAL A 70 3.852 -9.997 -5.325 1.00 0.00 C ATOM 0 H VAL A 70 5.416 -11.313 -7.082 1.00 0.00 H new ATOM 0 HA VAL A 70 5.747 -11.871 -4.250 1.00 0.00 H new ATOM 0 HB VAL A 70 3.206 -11.939 -5.906 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.135 -11.379 -3.754 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.045 -12.906 -3.666 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.726 -11.422 -2.959 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.843 -9.587 -5.276 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.469 -9.537 -4.553 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.281 -9.788 -6.305 1.00 0.00 H new ATOM 1101 N LYS A 71 5.288 -14.324 -4.190 1.00 0.00 N ATOM 1102 CA LYS A 71 5.204 -15.775 -4.172 1.00 0.00 C ATOM 1103 C LYS A 71 4.042 -16.205 -3.286 1.00 0.00 C ATOM 1104 O LYS A 71 3.647 -15.459 -2.387 1.00 0.00 O ATOM 1105 CB LYS A 71 6.521 -16.366 -3.657 1.00 0.00 C ATOM 1106 CG LYS A 71 6.712 -17.840 -3.978 1.00 0.00 C ATOM 1107 CD LYS A 71 6.812 -18.077 -5.479 1.00 0.00 C ATOM 1108 CE LYS A 71 7.114 -19.532 -5.802 1.00 0.00 C ATOM 1109 NZ LYS A 71 6.022 -20.439 -5.366 1.00 0.00 N ATOM 0 H LYS A 71 5.511 -13.904 -3.288 1.00 0.00 H new ATOM 0 HA LYS A 71 5.032 -16.144 -5.183 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.350 -15.802 -4.084 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.568 -16.232 -2.576 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.616 -18.205 -3.490 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.877 -18.413 -3.573 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.876 -17.785 -5.956 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.594 -17.442 -5.896 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.268 -19.640 -6.876 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.044 -19.825 -5.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.213 -21.402 -5.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.970 -20.446 -4.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.117 -20.105 -5.756 1.00 0.00 H new ATOM 1123 N PHE A 72 3.477 -17.381 -3.544 1.00 0.00 N ATOM 1124 CA PHE A 72 2.402 -17.896 -2.707 1.00 0.00 C ATOM 1125 C PHE A 72 2.941 -18.285 -1.334 1.00 0.00 C ATOM 1126 O PHE A 72 3.385 -19.414 -1.115 1.00 0.00 O ATOM 1127 CB PHE A 72 1.701 -19.086 -3.373 1.00 0.00 C ATOM 1128 CG PHE A 72 0.669 -19.751 -2.500 1.00 0.00 C ATOM 1129 CD1 PHE A 72 -0.472 -19.071 -2.107 1.00 0.00 C ATOM 1130 CD2 PHE A 72 0.849 -21.054 -2.069 1.00 0.00 C ATOM 1131 CE1 PHE A 72 -1.415 -19.679 -1.301 1.00 0.00 C ATOM 1132 CE2 PHE A 72 -0.090 -21.668 -1.263 1.00 0.00 C ATOM 1133 CZ PHE A 72 -1.223 -20.979 -0.878 1.00 0.00 C ATOM 0 H PHE A 72 3.743 -17.989 -4.318 1.00 0.00 H new ATOM 0 HA PHE A 72 1.662 -17.106 -2.580 1.00 0.00 H new ATOM 0 HB2 PHE A 72 1.222 -18.746 -4.291 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.451 -19.824 -3.659 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.626 -18.053 -2.435 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.734 -21.597 -2.366 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -2.301 -19.138 -1.002 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.062 -22.686 -0.934 1.00 0.00 H new ATOM 0 HZ PHE A 72 -1.958 -21.456 -0.247 1.00 0.00 H new ATOM 1143 N SER A 73 2.946 -17.322 -0.433 1.00 0.00 N ATOM 1144 CA SER A 73 3.339 -17.558 0.940 1.00 0.00 C ATOM 1145 C SER A 73 2.228 -17.093 1.874 1.00 0.00 C ATOM 1146 O SER A 73 1.391 -16.275 1.495 1.00 0.00 O ATOM 1147 CB SER A 73 4.637 -16.808 1.267 1.00 0.00 C ATOM 1148 OG SER A 73 5.671 -17.121 0.348 1.00 0.00 O ATOM 0 H SER A 73 2.679 -16.358 -0.632 1.00 0.00 H new ATOM 0 HA SER A 73 3.511 -18.626 1.077 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.450 -15.734 1.252 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.959 -17.062 2.277 1.00 0.00 H new ATOM 0 HG SER A 73 6.266 -16.348 0.249 1.00 0.00 H new ATOM 1154 N LYS A 74 2.206 -17.644 3.074 1.00 0.00 N ATOM 1155 CA LYS A 74 1.297 -17.182 4.111 1.00 0.00 C ATOM 1156 C LYS A 74 2.066 -17.009 5.410 1.00 0.00 C ATOM 1157 O LYS A 74 2.173 -17.943 6.209 1.00 0.00 O ATOM 1158 CB LYS A 74 0.144 -18.169 4.322 1.00 0.00 C ATOM 1159 CG LYS A 74 -0.750 -18.370 3.109 1.00 0.00 C ATOM 1160 CD LYS A 74 -1.815 -19.424 3.383 1.00 0.00 C ATOM 1161 CE LYS A 74 -1.185 -20.774 3.684 1.00 0.00 C ATOM 1162 NZ LYS A 74 -2.187 -21.783 4.117 1.00 0.00 N ATOM 0 H LYS A 74 2.810 -18.416 3.357 1.00 0.00 H new ATOM 0 HA LYS A 74 0.871 -16.229 3.797 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.558 -19.134 4.615 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.468 -17.819 5.154 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.227 -17.426 2.844 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.146 -18.673 2.254 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.432 -19.111 4.225 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.475 -19.512 2.520 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.668 -21.137 2.795 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.433 -20.655 4.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.709 -22.686 4.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.663 -21.451 4.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.891 -21.918 3.364 1.00 0.00 H new ATOM 1176 N ASP A 75 2.640 -15.834 5.602 1.00 0.00 N ATOM 1177 CA ASP A 75 3.424 -15.575 6.796 1.00 0.00 C ATOM 1178 C ASP A 75 3.088 -14.206 7.367 1.00 0.00 C ATOM 1179 O ASP A 75 3.351 -13.178 6.745 1.00 0.00 O ATOM 1180 CB ASP A 75 4.920 -15.672 6.491 1.00 0.00 C ATOM 1181 CG ASP A 75 5.746 -15.835 7.751 1.00 0.00 C ATOM 1182 OD1 ASP A 75 6.135 -14.821 8.353 1.00 0.00 O ATOM 1183 OD2 ASP A 75 6.000 -16.993 8.148 1.00 0.00 O ATOM 0 H ASP A 75 2.579 -15.050 4.952 1.00 0.00 H new ATOM 0 HA ASP A 75 3.175 -16.332 7.539 1.00 0.00 H new ATOM 0 HB2 ASP A 75 5.101 -16.517 5.827 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.241 -14.776 5.960 1.00 0.00 H new ATOM 1188 N ARG A 76 2.496 -14.209 8.548 1.00 0.00 N ATOM 1189 CA ARG A 76 2.085 -12.980 9.209 1.00 0.00 C ATOM 1190 C ARG A 76 3.277 -12.345 9.913 1.00 0.00 C ATOM 1191 O ARG A 76 3.348 -11.124 10.074 1.00 0.00 O ATOM 1192 CB ARG A 76 0.968 -13.290 10.210 1.00 0.00 C ATOM 1193 CG ARG A 76 0.417 -12.074 10.926 1.00 0.00 C ATOM 1194 CD ARG A 76 -0.789 -12.440 11.777 1.00 0.00 C ATOM 1195 NE ARG A 76 -1.218 -11.331 12.630 1.00 0.00 N ATOM 1196 CZ ARG A 76 -2.462 -10.848 12.664 1.00 0.00 C ATOM 1197 NH1 ARG A 76 -3.395 -11.341 11.859 1.00 0.00 N ATOM 1198 NH2 ARG A 76 -2.767 -9.865 13.504 1.00 0.00 N ATOM 0 H ARG A 76 2.287 -15.057 9.075 1.00 0.00 H new ATOM 0 HA ARG A 76 1.709 -12.274 8.468 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.153 -13.788 9.684 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.346 -13.994 10.952 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.192 -11.637 11.556 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.134 -11.315 10.196 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.613 -12.738 11.128 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.545 -13.302 12.399 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.522 -10.899 13.238 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.163 -12.093 11.210 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.344 -10.968 11.889 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.051 -9.481 14.121 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.717 -9.494 13.532 1.00 0.00 H new ATOM 1212 N HIS A 77 4.230 -13.186 10.295 1.00 0.00 N ATOM 1213 CA HIS A 77 5.405 -12.738 11.025 1.00 0.00 C ATOM 1214 C HIS A 77 6.300 -11.869 10.146 1.00 0.00 C ATOM 1215 O HIS A 77 6.784 -10.826 10.586 1.00 0.00 O ATOM 1216 CB HIS A 77 6.196 -13.935 11.557 1.00 0.00 C ATOM 1217 CG HIS A 77 7.410 -13.547 12.345 1.00 0.00 C ATOM 1218 ND1 HIS A 77 8.696 -13.688 11.869 1.00 0.00 N ATOM 1219 CD2 HIS A 77 7.524 -13.006 13.579 1.00 0.00 C ATOM 1220 CE1 HIS A 77 9.550 -13.250 12.777 1.00 0.00 C ATOM 1221 NE2 HIS A 77 8.862 -12.830 13.825 1.00 0.00 N ATOM 0 H HIS A 77 4.210 -14.189 10.109 1.00 0.00 H new ATOM 0 HA HIS A 77 5.064 -12.137 11.868 1.00 0.00 H new ATOM 0 HB2 HIS A 77 5.543 -14.541 12.185 1.00 0.00 H new ATOM 0 HB3 HIS A 77 6.502 -14.560 10.718 1.00 0.00 H new ATOM 0 HD2 HIS A 77 6.712 -12.758 14.247 1.00 0.00 H new ATOM 0 HE1 HIS A 77 10.626 -13.237 12.680 1.00 0.00 H new ATOM 0 HE2 HIS A 77 9.261 -12.439 14.678 1.00 0.00 H new ATOM 1230 N LEU A 78 6.519 -12.308 8.911 1.00 0.00 N ATOM 1231 CA LEU A 78 7.362 -11.577 7.974 1.00 0.00 C ATOM 1232 C LEU A 78 6.804 -10.182 7.732 1.00 0.00 C ATOM 1233 O LEU A 78 7.553 -9.211 7.679 1.00 0.00 O ATOM 1234 CB LEU A 78 7.483 -12.334 6.647 1.00 0.00 C ATOM 1235 CG LEU A 78 8.433 -11.705 5.625 1.00 0.00 C ATOM 1236 CD1 LEU A 78 9.835 -11.585 6.201 1.00 0.00 C ATOM 1237 CD2 LEU A 78 8.457 -12.526 4.347 1.00 0.00 C ATOM 0 H LEU A 78 6.123 -13.170 8.535 1.00 0.00 H new ATOM 0 HA LEU A 78 8.356 -11.486 8.412 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.819 -13.350 6.855 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.492 -12.412 6.199 1.00 0.00 H new ATOM 0 HG LEU A 78 8.069 -10.705 5.390 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.496 -11.136 5.460 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.810 -10.958 7.092 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.206 -12.575 6.465 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.137 -12.065 3.631 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.796 -13.537 4.571 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.454 -12.566 3.921 1.00 0.00 H new ATOM 1249 N ILE A 79 5.487 -10.088 7.601 1.00 0.00 N ATOM 1250 CA ILE A 79 4.829 -8.800 7.427 1.00 0.00 C ATOM 1251 C ILE A 79 5.115 -7.901 8.628 1.00 0.00 C ATOM 1252 O ILE A 79 5.528 -6.753 8.467 1.00 0.00 O ATOM 1253 CB ILE A 79 3.306 -8.960 7.248 1.00 0.00 C ATOM 1254 CG1 ILE A 79 3.011 -9.927 6.099 1.00 0.00 C ATOM 1255 CG2 ILE A 79 2.666 -7.606 6.978 1.00 0.00 C ATOM 1256 CD1 ILE A 79 1.538 -10.226 5.918 1.00 0.00 C ATOM 0 H ILE A 79 4.854 -10.888 7.612 1.00 0.00 H new ATOM 0 HA ILE A 79 5.229 -8.342 6.522 1.00 0.00 H new ATOM 0 HB ILE A 79 2.883 -9.369 8.166 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.404 -9.507 5.173 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.543 -10.862 6.277 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.590 -7.730 6.853 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.859 -6.938 7.818 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.090 -7.178 6.069 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.407 -10.918 5.086 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.143 -10.675 6.829 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.002 -9.300 5.708 1.00 0.00 H new ATOM 1268 N GLU A 80 4.922 -8.447 9.825 1.00 0.00 N ATOM 1269 CA GLU A 80 5.245 -7.738 11.064 1.00 0.00 C ATOM 1270 C GLU A 80 6.688 -7.248 11.039 1.00 0.00 C ATOM 1271 O GLU A 80 6.977 -6.085 11.330 1.00 0.00 O ATOM 1272 CB GLU A 80 5.052 -8.666 12.268 1.00 0.00 C ATOM 1273 CG GLU A 80 5.461 -8.034 13.595 1.00 0.00 C ATOM 1274 CD GLU A 80 5.669 -9.051 14.700 1.00 0.00 C ATOM 1275 OE1 GLU A 80 4.667 -9.534 15.265 1.00 0.00 O ATOM 1276 OE2 GLU A 80 6.835 -9.365 15.017 1.00 0.00 O ATOM 0 H GLU A 80 4.542 -9.383 9.966 1.00 0.00 H new ATOM 0 HA GLU A 80 4.576 -6.882 11.150 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.005 -8.963 12.324 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.633 -9.575 12.113 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.382 -7.468 13.452 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.694 -7.323 13.903 1.00 0.00 H new ATOM 1283 N THR A 81 7.590 -8.150 10.674 1.00 0.00 N ATOM 1284 CA THR A 81 9.009 -7.853 10.650 1.00 0.00 C ATOM 1285 C THR A 81 9.328 -6.785 9.601 1.00 0.00 C ATOM 1286 O THR A 81 10.247 -5.995 9.776 1.00 0.00 O ATOM 1287 CB THR A 81 9.828 -9.125 10.363 1.00 0.00 C ATOM 1288 OG1 THR A 81 9.404 -10.178 11.240 1.00 0.00 O ATOM 1289 CG2 THR A 81 11.318 -8.876 10.556 1.00 0.00 C ATOM 0 H THR A 81 7.357 -9.101 10.389 1.00 0.00 H new ATOM 0 HA THR A 81 9.283 -7.470 11.633 1.00 0.00 H new ATOM 0 HB THR A 81 9.659 -9.412 9.325 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.530 -10.513 10.950 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.870 -9.792 10.346 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.647 -8.090 9.876 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.505 -8.567 11.584 1.00 0.00 H new ATOM 1297 N THR A 82 8.547 -6.756 8.528 1.00 0.00 N ATOM 1298 CA THR A 82 8.739 -5.775 7.470 1.00 0.00 C ATOM 1299 C THR A 82 8.287 -4.390 7.934 1.00 0.00 C ATOM 1300 O THR A 82 8.998 -3.402 7.736 1.00 0.00 O ATOM 1301 CB THR A 82 7.978 -6.182 6.192 1.00 0.00 C ATOM 1302 OG1 THR A 82 8.352 -7.514 5.815 1.00 0.00 O ATOM 1303 CG2 THR A 82 8.286 -5.230 5.044 1.00 0.00 C ATOM 0 H THR A 82 7.774 -7.402 8.369 1.00 0.00 H new ATOM 0 HA THR A 82 9.803 -5.738 7.237 1.00 0.00 H new ATOM 0 HB THR A 82 6.909 -6.138 6.402 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.044 -8.146 6.498 1.00 0.00 H new ATOM 0 HG21 THR A 82 7.736 -5.541 4.156 1.00 0.00 H new ATOM 0 HG22 THR A 82 7.988 -4.219 5.320 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.355 -5.248 4.833 1.00 0.00 H new ATOM 1311 N SER A 83 7.120 -4.326 8.571 1.00 0.00 N ATOM 1312 CA SER A 83 6.611 -3.072 9.118 1.00 0.00 C ATOM 1313 C SER A 83 7.598 -2.499 10.137 1.00 0.00 C ATOM 1314 O SER A 83 7.884 -1.297 10.140 1.00 0.00 O ATOM 1315 CB SER A 83 5.239 -3.298 9.760 1.00 0.00 C ATOM 1316 OG SER A 83 4.357 -3.943 8.855 1.00 0.00 O ATOM 0 H SER A 83 6.509 -5.129 8.721 1.00 0.00 H new ATOM 0 HA SER A 83 6.499 -2.351 8.308 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.349 -3.903 10.660 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.815 -2.342 10.068 1.00 0.00 H new ATOM 0 HG SER A 83 3.491 -3.484 8.859 1.00 0.00 H new ATOM 1322 N ASN A 84 8.132 -3.373 10.983 1.00 0.00 N ATOM 1323 CA ASN A 84 9.148 -2.984 11.954 1.00 0.00 C ATOM 1324 C ASN A 84 10.423 -2.548 11.243 1.00 0.00 C ATOM 1325 O ASN A 84 11.036 -1.547 11.602 1.00 0.00 O ATOM 1326 CB ASN A 84 9.464 -4.148 12.898 1.00 0.00 C ATOM 1327 CG ASN A 84 8.319 -4.490 13.838 1.00 0.00 C ATOM 1328 OD1 ASN A 84 7.529 -3.628 14.220 1.00 0.00 O ATOM 1329 ND2 ASN A 84 8.229 -5.753 14.225 1.00 0.00 N ATOM 0 H ASN A 84 7.877 -4.360 11.016 1.00 0.00 H new ATOM 0 HA ASN A 84 8.757 -2.149 12.536 1.00 0.00 H new ATOM 0 HB2 ASN A 84 9.714 -5.029 12.306 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.346 -3.899 13.487 1.00 0.00 H new ATOM 0 HD21 ASN A 84 7.485 -6.040 14.862 1.00 0.00 H new ATOM 0 HD22 ASN A 84 8.903 -6.439 13.886 1.00 0.00 H new ATOM 1336 N LYS A 85 10.799 -3.306 10.219 1.00 0.00 N ATOM 1337 CA LYS A 85 12.022 -3.059 9.461 1.00 0.00 C ATOM 1338 C LYS A 85 12.007 -1.667 8.829 1.00 0.00 C ATOM 1339 O LYS A 85 13.032 -0.991 8.768 1.00 0.00 O ATOM 1340 CB LYS A 85 12.176 -4.129 8.382 1.00 0.00 C ATOM 1341 CG LYS A 85 13.578 -4.247 7.813 1.00 0.00 C ATOM 1342 CD LYS A 85 13.664 -5.354 6.772 1.00 0.00 C ATOM 1343 CE LYS A 85 13.222 -6.697 7.336 1.00 0.00 C ATOM 1344 NZ LYS A 85 13.388 -7.793 6.346 1.00 0.00 N ATOM 0 H LYS A 85 10.265 -4.110 9.890 1.00 0.00 H new ATOM 0 HA LYS A 85 12.871 -3.105 10.144 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.884 -5.093 8.799 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.484 -3.910 7.569 1.00 0.00 H new ATOM 0 HG2 LYS A 85 13.870 -3.298 7.363 1.00 0.00 H new ATOM 0 HG3 LYS A 85 14.284 -4.448 8.619 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.041 -5.097 5.916 1.00 0.00 H new ATOM 0 HD3 LYS A 85 14.689 -5.432 6.408 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.802 -6.924 8.230 1.00 0.00 H new ATOM 0 HE3 LYS A 85 12.177 -6.637 7.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.240 -8.710 6.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.692 -7.678 5.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.348 -7.759 5.948 1.00 0.00 H new ATOM 1358 N LEU A 86 10.840 -1.246 8.359 1.00 0.00 N ATOM 1359 CA LEU A 86 10.678 0.087 7.789 1.00 0.00 C ATOM 1360 C LEU A 86 10.840 1.155 8.862 1.00 0.00 C ATOM 1361 O LEU A 86 11.624 2.092 8.713 1.00 0.00 O ATOM 1362 CB LEU A 86 9.296 0.218 7.142 1.00 0.00 C ATOM 1363 CG LEU A 86 8.962 1.605 6.580 1.00 0.00 C ATOM 1364 CD1 LEU A 86 9.853 1.934 5.392 1.00 0.00 C ATOM 1365 CD2 LEU A 86 7.492 1.686 6.189 1.00 0.00 C ATOM 0 H LEU A 86 9.989 -1.809 8.361 1.00 0.00 H new ATOM 0 HA LEU A 86 11.449 0.230 7.032 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.221 -0.510 6.334 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.541 -0.047 7.882 1.00 0.00 H new ATOM 0 HG LEU A 86 9.150 2.343 7.360 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.599 2.922 5.009 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.897 1.924 5.706 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.703 1.192 4.608 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.275 2.678 5.793 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.276 0.936 5.428 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.872 1.502 7.066 1.00 0.00 H new ATOM 1377 N LYS A 87 10.108 0.986 9.952 1.00 0.00 N ATOM 1378 CA LYS A 87 10.063 1.978 11.016 1.00 0.00 C ATOM 1379 C LYS A 87 11.414 2.101 11.727 1.00 0.00 C ATOM 1380 O LYS A 87 11.803 3.190 12.156 1.00 0.00 O ATOM 1381 CB LYS A 87 8.958 1.599 12.006 1.00 0.00 C ATOM 1382 CG LYS A 87 8.742 2.605 13.124 1.00 0.00 C ATOM 1383 CD LYS A 87 7.519 2.243 13.957 1.00 0.00 C ATOM 1384 CE LYS A 87 7.384 3.138 15.178 1.00 0.00 C ATOM 1385 NZ LYS A 87 8.489 2.913 16.145 1.00 0.00 N ATOM 0 H LYS A 87 9.531 0.162 10.124 1.00 0.00 H new ATOM 0 HA LYS A 87 9.843 2.953 10.580 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.023 1.477 11.459 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.198 0.631 12.446 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.624 2.639 13.763 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.616 3.602 12.701 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.623 2.328 13.343 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.590 1.203 14.275 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.380 4.182 14.866 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.428 2.947 15.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.240 3.338 17.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.641 1.891 16.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.360 3.352 15.785 1.00 0.00 H new ATOM 1399 N SER A 88 12.129 0.994 11.839 1.00 0.00 N ATOM 1400 CA SER A 88 13.401 0.981 12.547 1.00 0.00 C ATOM 1401 C SER A 88 14.591 1.196 11.605 1.00 0.00 C ATOM 1402 O SER A 88 15.347 2.159 11.758 1.00 0.00 O ATOM 1403 CB SER A 88 13.556 -0.345 13.295 1.00 0.00 C ATOM 1404 OG SER A 88 12.442 -0.587 14.140 1.00 0.00 O ATOM 0 H SER A 88 11.852 0.093 11.450 1.00 0.00 H new ATOM 0 HA SER A 88 13.397 1.810 13.255 1.00 0.00 H new ATOM 0 HB2 SER A 88 13.657 -1.161 12.579 1.00 0.00 H new ATOM 0 HB3 SER A 88 14.470 -0.327 13.889 1.00 0.00 H new ATOM 0 HG SER A 88 11.700 -0.945 13.609 1.00 0.00 H new ATOM 1410 N ARG A 89 14.737 0.318 10.616 1.00 0.00 N ATOM 1411 CA ARG A 89 15.941 0.284 9.781 1.00 0.00 C ATOM 1412 C ARG A 89 15.872 1.282 8.630 1.00 0.00 C ATOM 1413 O ARG A 89 16.901 1.623 8.041 1.00 0.00 O ATOM 1414 CB ARG A 89 16.143 -1.129 9.222 1.00 0.00 C ATOM 1415 CG ARG A 89 17.484 -1.344 8.537 1.00 0.00 C ATOM 1416 CD ARG A 89 17.797 -2.823 8.373 1.00 0.00 C ATOM 1417 NE ARG A 89 18.098 -3.459 9.654 1.00 0.00 N ATOM 1418 CZ ARG A 89 17.571 -4.612 10.064 1.00 0.00 C ATOM 1419 NH1 ARG A 89 16.712 -5.273 9.299 1.00 0.00 N ATOM 1420 NH2 ARG A 89 17.912 -5.105 11.243 1.00 0.00 N ATOM 0 H ARG A 89 14.037 -0.382 10.371 1.00 0.00 H new ATOM 0 HA ARG A 89 16.785 0.564 10.412 1.00 0.00 H new ATOM 0 HB2 ARG A 89 16.045 -1.847 10.036 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.346 -1.343 8.510 1.00 0.00 H new ATOM 0 HG2 ARG A 89 17.475 -0.863 7.559 1.00 0.00 H new ATOM 0 HG3 ARG A 89 18.272 -0.867 9.120 1.00 0.00 H new ATOM 0 HD2 ARG A 89 16.948 -3.325 7.908 1.00 0.00 H new ATOM 0 HD3 ARG A 89 18.646 -2.943 7.699 1.00 0.00 H new ATOM 0 HE ARG A 89 18.756 -2.989 10.276 1.00 0.00 H new ATOM 0 HH11 ARG A 89 16.449 -4.899 8.387 1.00 0.00 H new ATOM 0 HH12 ARG A 89 16.315 -6.155 9.623 1.00 0.00 H new ATOM 0 HH21 ARG A 89 18.575 -4.603 11.833 1.00 0.00 H new ATOM 0 HH22 ARG A 89 17.512 -5.987 11.562 1.00 0.00 H new ATOM 1434 N GLU A 90 14.666 1.743 8.322 1.00 0.00 N ATOM 1435 CA GLU A 90 14.437 2.629 7.182 1.00 0.00 C ATOM 1436 C GLU A 90 14.789 1.918 5.871 1.00 0.00 C ATOM 1437 O GLU A 90 15.735 2.287 5.173 1.00 0.00 O ATOM 1438 CB GLU A 90 15.233 3.937 7.312 1.00 0.00 C ATOM 1439 CG GLU A 90 14.946 4.938 6.202 1.00 0.00 C ATOM 1440 CD GLU A 90 15.995 6.025 6.105 1.00 0.00 C ATOM 1441 OE1 GLU A 90 17.152 5.711 5.757 1.00 0.00 O ATOM 1442 OE2 GLU A 90 15.663 7.204 6.350 1.00 0.00 O ATOM 0 H GLU A 90 13.823 1.517 8.850 1.00 0.00 H new ATOM 0 HA GLU A 90 13.378 2.885 7.172 1.00 0.00 H new ATOM 0 HB2 GLU A 90 15.004 4.398 8.273 1.00 0.00 H new ATOM 0 HB3 GLU A 90 16.298 3.706 7.315 1.00 0.00 H new ATOM 0 HG2 GLU A 90 14.887 4.411 5.250 1.00 0.00 H new ATOM 0 HG3 GLU A 90 13.971 5.395 6.374 1.00 0.00 H new ATOM 1449 N ILE A 91 14.065 0.855 5.573 1.00 0.00 N ATOM 1450 CA ILE A 91 14.185 0.214 4.272 1.00 0.00 C ATOM 1451 C ILE A 91 13.387 0.990 3.228 1.00 0.00 C ATOM 1452 O ILE A 91 12.348 1.568 3.538 1.00 0.00 O ATOM 1453 CB ILE A 91 13.714 -1.255 4.300 1.00 0.00 C ATOM 1454 CG1 ILE A 91 12.266 -1.353 4.799 1.00 0.00 C ATOM 1455 CG2 ILE A 91 14.646 -2.088 5.168 1.00 0.00 C ATOM 1456 CD1 ILE A 91 11.698 -2.758 4.765 1.00 0.00 C ATOM 0 H ILE A 91 13.394 0.419 6.205 1.00 0.00 H new ATOM 0 HA ILE A 91 15.242 0.218 4.007 1.00 0.00 H new ATOM 0 HB ILE A 91 13.744 -1.650 3.284 1.00 0.00 H new ATOM 0 HG12 ILE A 91 12.218 -0.977 5.821 1.00 0.00 H new ATOM 0 HG13 ILE A 91 11.638 -0.703 4.190 1.00 0.00 H new ATOM 0 HG21 ILE A 91 14.304 -3.123 5.180 1.00 0.00 H new ATOM 0 HG22 ILE A 91 15.657 -2.045 4.762 1.00 0.00 H new ATOM 0 HG23 ILE A 91 14.646 -1.694 6.184 1.00 0.00 H new ATOM 0 HD11 ILE A 91 10.672 -2.745 5.133 1.00 0.00 H new ATOM 0 HD12 ILE A 91 11.712 -3.131 3.741 1.00 0.00 H new ATOM 0 HD13 ILE A 91 12.301 -3.410 5.397 1.00 0.00 H new ATOM 1468 N THR A 92 13.886 1.023 1.999 1.00 0.00 N ATOM 1469 CA THR A 92 13.216 1.744 0.926 1.00 0.00 C ATOM 1470 C THR A 92 11.847 1.125 0.625 1.00 0.00 C ATOM 1471 O THR A 92 11.657 -0.083 0.781 1.00 0.00 O ATOM 1472 CB THR A 92 14.078 1.741 -0.351 1.00 0.00 C ATOM 1473 OG1 THR A 92 15.453 1.957 -0.011 1.00 0.00 O ATOM 1474 CG2 THR A 92 13.629 2.829 -1.311 1.00 0.00 C ATOM 0 H THR A 92 14.751 0.559 1.721 1.00 0.00 H new ATOM 0 HA THR A 92 13.072 2.773 1.255 1.00 0.00 H new ATOM 0 HB THR A 92 13.961 0.771 -0.835 1.00 0.00 H new ATOM 0 HG1 THR A 92 15.996 1.952 -0.827 1.00 0.00 H new ATOM 0 HG21 THR A 92 14.253 2.806 -2.204 1.00 0.00 H new ATOM 0 HG22 THR A 92 12.589 2.661 -1.590 1.00 0.00 H new ATOM 0 HG23 THR A 92 13.722 3.802 -0.828 1.00 0.00 H new ATOM 1482 N PHE A 93 10.899 1.958 0.192 1.00 0.00 N ATOM 1483 CA PHE A 93 9.531 1.517 -0.091 1.00 0.00 C ATOM 1484 C PHE A 93 9.514 0.369 -1.105 1.00 0.00 C ATOM 1485 O PHE A 93 8.648 -0.507 -1.057 1.00 0.00 O ATOM 1486 CB PHE A 93 8.700 2.696 -0.609 1.00 0.00 C ATOM 1487 CG PHE A 93 7.222 2.425 -0.672 1.00 0.00 C ATOM 1488 CD1 PHE A 93 6.469 2.339 0.489 1.00 0.00 C ATOM 1489 CD2 PHE A 93 6.583 2.266 -1.893 1.00 0.00 C ATOM 1490 CE1 PHE A 93 5.111 2.095 0.434 1.00 0.00 C ATOM 1491 CE2 PHE A 93 5.225 2.022 -1.952 1.00 0.00 C ATOM 1492 CZ PHE A 93 4.487 1.937 -0.789 1.00 0.00 C ATOM 0 H PHE A 93 11.056 2.952 0.028 1.00 0.00 H new ATOM 0 HA PHE A 93 9.093 1.148 0.837 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.873 3.559 0.034 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.052 2.965 -1.605 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.950 2.464 1.448 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.154 2.334 -2.807 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.537 2.028 1.346 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.740 1.898 -2.909 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.425 1.748 -0.834 1.00 0.00 H new ATOM 1502 N GLN A 94 10.470 0.388 -2.027 1.00 0.00 N ATOM 1503 CA GLN A 94 10.644 -0.696 -2.987 1.00 0.00 C ATOM 1504 C GLN A 94 10.912 -2.018 -2.264 1.00 0.00 C ATOM 1505 O GLN A 94 10.241 -3.019 -2.511 1.00 0.00 O ATOM 1506 CB GLN A 94 11.801 -0.360 -3.932 1.00 0.00 C ATOM 1507 CG GLN A 94 12.102 -1.430 -4.967 1.00 0.00 C ATOM 1508 CD GLN A 94 13.220 -1.015 -5.903 1.00 0.00 C ATOM 1509 OE1 GLN A 94 14.110 -0.253 -5.524 1.00 0.00 O ATOM 1510 NE2 GLN A 94 13.191 -1.515 -7.126 1.00 0.00 N ATOM 0 H GLN A 94 11.141 1.149 -2.130 1.00 0.00 H new ATOM 0 HA GLN A 94 9.728 -0.808 -3.567 1.00 0.00 H new ATOM 0 HB2 GLN A 94 11.572 0.572 -4.448 1.00 0.00 H new ATOM 0 HB3 GLN A 94 12.698 -0.184 -3.339 1.00 0.00 H new ATOM 0 HG2 GLN A 94 12.377 -2.356 -4.462 1.00 0.00 H new ATOM 0 HG3 GLN A 94 11.202 -1.638 -5.546 1.00 0.00 H new ATOM 0 HE21 GLN A 94 12.437 -2.143 -7.402 1.00 0.00 H new ATOM 0 HE22 GLN A 94 13.923 -1.273 -7.794 1.00 0.00 H new ATOM 1519 N GLU A 95 11.872 -1.992 -1.350 1.00 0.00 N ATOM 1520 CA GLU A 95 12.255 -3.171 -0.579 1.00 0.00 C ATOM 1521 C GLU A 95 11.120 -3.603 0.343 1.00 0.00 C ATOM 1522 O GLU A 95 10.917 -4.794 0.588 1.00 0.00 O ATOM 1523 CB GLU A 95 13.497 -2.863 0.252 1.00 0.00 C ATOM 1524 CG GLU A 95 14.644 -2.286 -0.558 1.00 0.00 C ATOM 1525 CD GLU A 95 15.260 -3.294 -1.508 1.00 0.00 C ATOM 1526 OE1 GLU A 95 14.724 -3.486 -2.620 1.00 0.00 O ATOM 1527 OE2 GLU A 95 16.295 -3.889 -1.146 1.00 0.00 O ATOM 0 H GLU A 95 12.408 -1.155 -1.121 1.00 0.00 H new ATOM 0 HA GLU A 95 12.470 -3.983 -1.274 1.00 0.00 H new ATOM 0 HB2 GLU A 95 13.231 -2.159 1.041 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.833 -3.778 0.741 1.00 0.00 H new ATOM 0 HG2 GLU A 95 14.285 -1.429 -1.128 1.00 0.00 H new ATOM 0 HG3 GLU A 95 15.413 -1.917 0.121 1.00 0.00 H new ATOM 1534 N TYR A 96 10.387 -2.622 0.847 1.00 0.00 N ATOM 1535 CA TYR A 96 9.260 -2.868 1.736 1.00 0.00 C ATOM 1536 C TYR A 96 8.217 -3.747 1.045 1.00 0.00 C ATOM 1537 O TYR A 96 7.767 -4.752 1.596 1.00 0.00 O ATOM 1538 CB TYR A 96 8.641 -1.534 2.160 1.00 0.00 C ATOM 1539 CG TYR A 96 7.635 -1.639 3.281 1.00 0.00 C ATOM 1540 CD1 TYR A 96 8.054 -1.754 4.598 1.00 0.00 C ATOM 1541 CD2 TYR A 96 6.272 -1.601 3.027 1.00 0.00 C ATOM 1542 CE1 TYR A 96 7.142 -1.836 5.630 1.00 0.00 C ATOM 1543 CE2 TYR A 96 5.354 -1.678 4.059 1.00 0.00 C ATOM 1544 CZ TYR A 96 5.796 -1.794 5.357 1.00 0.00 C ATOM 1545 OH TYR A 96 4.888 -1.852 6.388 1.00 0.00 O ATOM 0 H TYR A 96 10.555 -1.635 0.652 1.00 0.00 H new ATOM 0 HA TYR A 96 9.613 -3.394 2.623 1.00 0.00 H new ATOM 0 HB2 TYR A 96 9.440 -0.859 2.467 1.00 0.00 H new ATOM 0 HB3 TYR A 96 8.156 -1.081 1.295 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.111 -1.780 4.819 1.00 0.00 H new ATOM 0 HD2 TYR A 96 5.922 -1.510 2.009 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.485 -1.933 6.649 1.00 0.00 H new ATOM 0 HE2 TYR A 96 4.295 -1.647 3.847 1.00 0.00 H new ATOM 0 HH TYR A 96 4.026 -2.171 6.047 1.00 0.00 H new ATOM 1555 N ARG A 97 7.858 -3.376 -0.177 1.00 0.00 N ATOM 1556 CA ARG A 97 6.902 -4.147 -0.963 1.00 0.00 C ATOM 1557 C ARG A 97 7.516 -5.474 -1.393 1.00 0.00 C ATOM 1558 O ARG A 97 6.813 -6.465 -1.573 1.00 0.00 O ATOM 1559 CB ARG A 97 6.471 -3.363 -2.201 1.00 0.00 C ATOM 1560 CG ARG A 97 5.779 -2.045 -1.893 1.00 0.00 C ATOM 1561 CD ARG A 97 5.555 -1.239 -3.161 1.00 0.00 C ATOM 1562 NE ARG A 97 6.822 -0.897 -3.808 1.00 0.00 N ATOM 1563 CZ ARG A 97 6.967 -0.749 -5.128 1.00 0.00 C ATOM 1564 NH1 ARG A 97 5.926 -0.915 -5.928 1.00 0.00 N ATOM 1565 NH2 ARG A 97 8.154 -0.441 -5.640 1.00 0.00 N ATOM 0 H ARG A 97 8.215 -2.544 -0.647 1.00 0.00 H new ATOM 0 HA ARG A 97 6.029 -4.340 -0.340 1.00 0.00 H new ATOM 0 HB2 ARG A 97 7.349 -3.165 -2.816 1.00 0.00 H new ATOM 0 HB3 ARG A 97 5.800 -3.983 -2.795 1.00 0.00 H new ATOM 0 HG2 ARG A 97 4.823 -2.237 -1.406 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.383 -1.468 -1.193 1.00 0.00 H new ATOM 0 HD2 ARG A 97 4.935 -1.810 -3.852 1.00 0.00 H new ATOM 0 HD3 ARG A 97 5.009 -0.326 -2.922 1.00 0.00 H new ATOM 0 HE ARG A 97 7.642 -0.764 -3.217 1.00 0.00 H new ATOM 0 HH11 ARG A 97 5.015 -1.155 -5.537 1.00 0.00 H new ATOM 0 HH12 ARG A 97 6.034 -0.802 -6.936 1.00 0.00 H new ATOM 0 HH21 ARG A 97 8.958 -0.317 -5.025 1.00 0.00 H new ATOM 0 HH22 ARG A 97 8.261 -0.329 -6.648 1.00 0.00 H new ATOM 1579 N ARG A 98 8.833 -5.474 -1.558 1.00 0.00 N ATOM 1580 CA ARG A 98 9.564 -6.664 -1.970 1.00 0.00 C ATOM 1581 C ARG A 98 9.469 -7.747 -0.894 1.00 0.00 C ATOM 1582 O ARG A 98 9.291 -8.928 -1.198 1.00 0.00 O ATOM 1583 CB ARG A 98 11.029 -6.296 -2.232 1.00 0.00 C ATOM 1584 CG ARG A 98 11.653 -6.997 -3.430 1.00 0.00 C ATOM 1585 CD ARG A 98 11.870 -8.480 -3.187 1.00 0.00 C ATOM 1586 NE ARG A 98 12.537 -9.120 -4.320 1.00 0.00 N ATOM 1587 CZ ARG A 98 12.787 -10.423 -4.400 1.00 0.00 C ATOM 1588 NH1 ARG A 98 12.463 -11.231 -3.397 1.00 0.00 N ATOM 1589 NH2 ARG A 98 13.371 -10.924 -5.480 1.00 0.00 N ATOM 0 H ARG A 98 9.421 -4.654 -1.411 1.00 0.00 H new ATOM 0 HA ARG A 98 9.124 -7.057 -2.887 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.098 -5.218 -2.381 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.614 -6.533 -1.343 1.00 0.00 H new ATOM 0 HG2 ARG A 98 11.010 -6.865 -4.300 1.00 0.00 H new ATOM 0 HG3 ARG A 98 12.608 -6.527 -3.665 1.00 0.00 H new ATOM 0 HD2 ARG A 98 12.469 -8.618 -2.287 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.910 -8.964 -3.009 1.00 0.00 H new ATOM 0 HE ARG A 98 12.829 -8.529 -5.098 1.00 0.00 H new ATOM 0 HH11 ARG A 98 12.020 -10.852 -2.560 1.00 0.00 H new ATOM 0 HH12 ARG A 98 12.657 -12.230 -3.464 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.629 -10.309 -6.252 1.00 0.00 H new ATOM 0 HH22 ARG A 98 13.562 -11.924 -5.539 1.00 0.00 H new ATOM 1603 N ASN A 99 9.578 -7.334 0.364 1.00 0.00 N ATOM 1604 CA ASN A 99 9.468 -8.264 1.486 1.00 0.00 C ATOM 1605 C ASN A 99 8.033 -8.757 1.628 1.00 0.00 C ATOM 1606 O ASN A 99 7.795 -9.927 1.925 1.00 0.00 O ATOM 1607 CB ASN A 99 9.932 -7.614 2.794 1.00 0.00 C ATOM 1608 CG ASN A 99 11.445 -7.523 2.925 1.00 0.00 C ATOM 1609 OD1 ASN A 99 11.984 -7.559 4.033 1.00 0.00 O ATOM 1610 ND2 ASN A 99 12.143 -7.397 1.807 1.00 0.00 N ATOM 0 H ASN A 99 9.742 -6.364 0.634 1.00 0.00 H new ATOM 0 HA ASN A 99 10.118 -9.114 1.280 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.509 -6.612 2.862 1.00 0.00 H new ATOM 0 HB3 ASN A 99 9.537 -8.185 3.634 1.00 0.00 H new ATOM 0 HD21 ASN A 99 13.160 -7.326 1.846 1.00 0.00 H new ATOM 0 HD22 ASN A 99 11.664 -7.371 0.907 1.00 0.00 H new ATOM 1617 N LEU A 100 7.080 -7.862 1.397 1.00 0.00 N ATOM 1618 CA LEU A 100 5.667 -8.222 1.438 1.00 0.00 C ATOM 1619 C LEU A 100 5.332 -9.203 0.322 1.00 0.00 C ATOM 1620 O LEU A 100 4.539 -10.125 0.508 1.00 0.00 O ATOM 1621 CB LEU A 100 4.796 -6.973 1.320 1.00 0.00 C ATOM 1622 CG LEU A 100 4.917 -5.991 2.484 1.00 0.00 C ATOM 1623 CD1 LEU A 100 4.129 -4.727 2.192 1.00 0.00 C ATOM 1624 CD2 LEU A 100 4.433 -6.632 3.776 1.00 0.00 C ATOM 0 H LEU A 100 7.259 -6.882 1.179 1.00 0.00 H new ATOM 0 HA LEU A 100 5.463 -8.702 2.395 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.055 -6.454 0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.754 -7.281 1.231 1.00 0.00 H new ATOM 0 HG LEU A 100 5.967 -5.726 2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.225 -4.037 3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.517 -4.257 1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.078 -4.979 2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.527 -5.918 4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.389 -6.925 3.668 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.036 -7.513 3.993 1.00 0.00 H new ATOM 1636 N ALA A 101 5.949 -8.999 -0.835 1.00 0.00 N ATOM 1637 CA ALA A 101 5.787 -9.899 -1.967 1.00 0.00 C ATOM 1638 C ALA A 101 6.260 -11.303 -1.609 1.00 0.00 C ATOM 1639 O ALA A 101 5.675 -12.299 -2.032 1.00 0.00 O ATOM 1640 CB ALA A 101 6.553 -9.370 -3.170 1.00 0.00 C ATOM 0 H ALA A 101 6.571 -8.211 -1.013 1.00 0.00 H new ATOM 0 HA ALA A 101 4.728 -9.951 -2.221 1.00 0.00 H new ATOM 0 HB1 ALA A 101 6.425 -10.051 -4.011 1.00 0.00 H new ATOM 0 HB2 ALA A 101 6.172 -8.385 -3.439 1.00 0.00 H new ATOM 0 HB3 ALA A 101 7.612 -9.294 -2.923 1.00 0.00 H new ATOM 1646 N LYS A 102 7.317 -11.372 -0.811 1.00 0.00 N ATOM 1647 CA LYS A 102 7.851 -12.646 -0.356 1.00 0.00 C ATOM 1648 C LYS A 102 6.891 -13.303 0.635 1.00 0.00 C ATOM 1649 O LYS A 102 6.816 -14.530 0.728 1.00 0.00 O ATOM 1650 CB LYS A 102 9.217 -12.429 0.299 1.00 0.00 C ATOM 1651 CG LYS A 102 10.006 -13.708 0.503 1.00 0.00 C ATOM 1652 CD LYS A 102 11.345 -13.432 1.162 1.00 0.00 C ATOM 1653 CE LYS A 102 12.218 -14.674 1.185 1.00 0.00 C ATOM 1654 NZ LYS A 102 12.574 -15.121 -0.188 1.00 0.00 N ATOM 0 H LYS A 102 7.822 -10.556 -0.465 1.00 0.00 H new ATOM 0 HA LYS A 102 7.967 -13.307 -1.215 1.00 0.00 H new ATOM 0 HB2 LYS A 102 9.802 -11.747 -0.318 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.074 -11.943 1.264 1.00 0.00 H new ATOM 0 HG2 LYS A 102 9.430 -14.398 1.120 1.00 0.00 H new ATOM 0 HG3 LYS A 102 10.165 -14.196 -0.458 1.00 0.00 H new ATOM 0 HD2 LYS A 102 11.859 -12.634 0.625 1.00 0.00 H new ATOM 0 HD3 LYS A 102 11.185 -13.079 2.181 1.00 0.00 H new ATOM 0 HE2 LYS A 102 13.128 -14.469 1.748 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.695 -15.477 1.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 13.403 -15.747 -0.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 11.772 -15.636 -0.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 12.796 -14.293 -0.776 1.00 0.00 H new ATOM 1668 N ALA A 103 6.147 -12.474 1.363 1.00 0.00 N ATOM 1669 CA ALA A 103 5.206 -12.960 2.366 1.00 0.00 C ATOM 1670 C ALA A 103 3.889 -13.397 1.732 1.00 0.00 C ATOM 1671 O ALA A 103 3.060 -14.020 2.390 1.00 0.00 O ATOM 1672 CB ALA A 103 4.949 -11.892 3.420 1.00 0.00 C ATOM 0 H ALA A 103 6.179 -11.458 1.276 1.00 0.00 H new ATOM 0 HA ALA A 103 5.656 -13.830 2.844 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.245 -12.273 4.160 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.887 -11.633 3.912 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.531 -11.005 2.944 1.00 0.00 H new ATOM 1678 N GLY A 104 3.704 -13.064 0.457 1.00 0.00 N ATOM 1679 CA GLY A 104 2.516 -13.493 -0.256 1.00 0.00 C ATOM 1680 C GLY A 104 1.434 -12.431 -0.292 1.00 0.00 C ATOM 1681 O GLY A 104 0.263 -12.737 -0.512 1.00 0.00 O ATOM 0 H GLY A 104 4.356 -12.505 -0.093 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.788 -13.762 -1.277 1.00 0.00 H new ATOM 0 HA3 GLY A 104 2.120 -14.392 0.216 1.00 0.00 H new ATOM 1685 N VAL A 105 1.823 -11.183 -0.083 1.00 0.00 N ATOM 1686 CA VAL A 105 0.873 -10.080 -0.077 1.00 0.00 C ATOM 1687 C VAL A 105 0.634 -9.551 -1.488 1.00 0.00 C ATOM 1688 O VAL A 105 1.564 -9.124 -2.171 1.00 0.00 O ATOM 1689 CB VAL A 105 1.352 -8.927 0.831 1.00 0.00 C ATOM 1690 CG1 VAL A 105 0.351 -7.779 0.826 1.00 0.00 C ATOM 1691 CG2 VAL A 105 1.592 -9.430 2.246 1.00 0.00 C ATOM 0 H VAL A 105 2.791 -10.908 0.085 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.064 -10.471 0.319 1.00 0.00 H new ATOM 0 HB VAL A 105 2.295 -8.550 0.436 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.711 -6.979 1.473 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.237 -7.400 -0.190 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.612 -8.135 1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.929 -8.605 2.873 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.665 -9.837 2.650 1.00 0.00 H new ATOM 0 HG23 VAL A 105 2.354 -10.209 2.231 1.00 0.00 H new ATOM 1701 N PHE A 106 -0.620 -9.596 -1.918 1.00 0.00 N ATOM 1702 CA PHE A 106 -1.007 -9.083 -3.227 1.00 0.00 C ATOM 1703 C PHE A 106 -1.851 -7.820 -3.088 1.00 0.00 C ATOM 1704 O PHE A 106 -1.884 -6.980 -3.989 1.00 0.00 O ATOM 1705 CB PHE A 106 -1.798 -10.140 -4.006 1.00 0.00 C ATOM 1706 CG PHE A 106 -0.965 -11.274 -4.536 1.00 0.00 C ATOM 1707 CD1 PHE A 106 -0.658 -12.366 -3.737 1.00 0.00 C ATOM 1708 CD2 PHE A 106 -0.500 -11.253 -5.843 1.00 0.00 C ATOM 1709 CE1 PHE A 106 0.093 -13.414 -4.232 1.00 0.00 C ATOM 1710 CE2 PHE A 106 0.256 -12.298 -6.341 1.00 0.00 C ATOM 1711 CZ PHE A 106 0.552 -13.379 -5.534 1.00 0.00 C ATOM 0 H PHE A 106 -1.392 -9.985 -1.376 1.00 0.00 H new ATOM 0 HA PHE A 106 -0.095 -8.841 -3.772 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -2.573 -10.547 -3.357 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -2.304 -9.655 -4.841 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -1.010 -12.397 -2.717 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -0.731 -10.411 -6.479 1.00 0.00 H new ATOM 0 HE1 PHE A 106 0.321 -14.260 -3.601 1.00 0.00 H new ATOM 0 HE2 PHE A 106 0.614 -12.269 -7.359 1.00 0.00 H new ATOM 0 HZ PHE A 106 1.142 -14.197 -5.921 1.00 0.00 H new ATOM 1721 N ARG A 107 -2.535 -7.692 -1.959 1.00 0.00 N ATOM 1722 CA ARG A 107 -3.407 -6.552 -1.723 1.00 0.00 C ATOM 1723 C ARG A 107 -2.834 -5.629 -0.663 1.00 0.00 C ATOM 1724 O ARG A 107 -2.766 -5.987 0.511 1.00 0.00 O ATOM 1725 CB ARG A 107 -4.806 -6.987 -1.276 1.00 0.00 C ATOM 1726 CG ARG A 107 -5.805 -7.198 -2.397 1.00 0.00 C ATOM 1727 CD ARG A 107 -5.497 -8.435 -3.218 1.00 0.00 C ATOM 1728 NE ARG A 107 -6.658 -8.844 -4.006 1.00 0.00 N ATOM 1729 CZ ARG A 107 -6.591 -9.457 -5.184 1.00 0.00 C ATOM 1730 NH1 ARG A 107 -5.415 -9.705 -5.749 1.00 0.00 N ATOM 1731 NH2 ARG A 107 -7.703 -9.827 -5.803 1.00 0.00 N ATOM 0 H ARG A 107 -2.502 -8.364 -1.193 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.480 -6.024 -2.674 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.717 -7.915 -0.710 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.203 -6.235 -0.594 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -6.807 -7.284 -1.976 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -5.807 -6.324 -3.048 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -4.655 -8.235 -3.881 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -5.197 -9.248 -2.558 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.584 -8.645 -3.626 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -4.554 -9.425 -5.279 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -5.373 -10.176 -6.653 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.610 -9.641 -5.376 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -7.651 -10.297 -6.707 1.00 0.00 H new ATOM 1745 N TRP A 108 -2.420 -4.452 -1.092 1.00 0.00 N ATOM 1746 CA TRP A 108 -2.050 -3.379 -0.186 1.00 0.00 C ATOM 1747 C TRP A 108 -3.258 -2.462 -0.025 1.00 0.00 C ATOM 1748 O TRP A 108 -3.470 -1.541 -0.814 1.00 0.00 O ATOM 1749 CB TRP A 108 -0.833 -2.627 -0.753 1.00 0.00 C ATOM 1750 CG TRP A 108 -0.407 -1.392 -0.002 1.00 0.00 C ATOM 1751 CD1 TRP A 108 -1.068 -0.198 0.068 1.00 0.00 C ATOM 1752 CD2 TRP A 108 0.809 -1.213 0.732 1.00 0.00 C ATOM 1753 NE1 TRP A 108 -0.353 0.698 0.818 1.00 0.00 N ATOM 1754 CE2 TRP A 108 0.803 0.102 1.237 1.00 0.00 C ATOM 1755 CE3 TRP A 108 1.897 -2.039 1.019 1.00 0.00 C ATOM 1756 CZ2 TRP A 108 1.840 0.608 2.012 1.00 0.00 C ATOM 1757 CZ3 TRP A 108 2.926 -1.533 1.786 1.00 0.00 C ATOM 1758 CH2 TRP A 108 2.892 -0.222 2.273 1.00 0.00 C ATOM 0 H TRP A 108 -2.330 -4.212 -2.079 1.00 0.00 H new ATOM 0 HA TRP A 108 -1.767 -3.767 0.793 1.00 0.00 H new ATOM 0 HB2 TRP A 108 0.011 -3.316 -0.786 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -1.054 -2.343 -1.782 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -2.018 0.010 -0.401 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -0.637 1.655 1.029 1.00 0.00 H new ATOM 0 HE3 TRP A 108 1.932 -3.053 0.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 1.814 1.618 2.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.774 -2.161 2.015 1.00 0.00 H new ATOM 0 HH2 TRP A 108 3.716 0.142 2.869 1.00 0.00 H new ATOM 1769 N VAL A 109 -4.087 -2.752 0.959 1.00 0.00 N ATOM 1770 CA VAL A 109 -5.306 -1.992 1.157 1.00 0.00 C ATOM 1771 C VAL A 109 -5.172 -1.083 2.367 1.00 0.00 C ATOM 1772 O VAL A 109 -5.310 -1.520 3.506 1.00 0.00 O ATOM 1773 CB VAL A 109 -6.533 -2.910 1.333 1.00 0.00 C ATOM 1774 CG1 VAL A 109 -7.805 -2.085 1.459 1.00 0.00 C ATOM 1775 CG2 VAL A 109 -6.641 -3.893 0.177 1.00 0.00 C ATOM 0 H VAL A 109 -3.940 -3.505 1.631 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.460 -1.389 0.262 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.403 -3.481 2.252 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -8.659 -2.750 1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.728 -1.428 2.326 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -7.940 -1.484 0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -7.513 -4.530 0.322 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -6.744 -3.344 -0.759 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.743 -4.510 0.139 1.00 0.00 H new ATOM 1785 N THR A 110 -4.881 0.178 2.119 1.00 0.00 N ATOM 1786 CA THR A 110 -4.772 1.141 3.200 1.00 0.00 C ATOM 1787 C THR A 110 -6.090 1.874 3.365 1.00 0.00 C ATOM 1788 O THR A 110 -6.506 2.643 2.494 1.00 0.00 O ATOM 1789 CB THR A 110 -3.640 2.156 2.959 1.00 0.00 C ATOM 1790 OG1 THR A 110 -2.404 1.468 2.740 1.00 0.00 O ATOM 1791 CG2 THR A 110 -3.489 3.104 4.146 1.00 0.00 C ATOM 0 H THR A 110 -4.717 0.559 1.187 1.00 0.00 H new ATOM 0 HA THR A 110 -4.533 0.591 4.110 1.00 0.00 H new ATOM 0 HB THR A 110 -3.896 2.742 2.077 1.00 0.00 H new ATOM 0 HG1 THR A 110 -2.344 1.194 1.801 1.00 0.00 H new ATOM 0 HG21 THR A 110 -2.682 3.810 3.948 1.00 0.00 H new ATOM 0 HG22 THR A 110 -4.420 3.650 4.296 1.00 0.00 H new ATOM 0 HG23 THR A 110 -3.257 2.530 5.043 1.00 0.00 H new ATOM 1799 N ASN A 111 -6.759 1.597 4.468 1.00 0.00 N ATOM 1800 CA ASN A 111 -8.040 2.210 4.757 1.00 0.00 C ATOM 1801 C ASN A 111 -7.854 3.315 5.787 1.00 0.00 C ATOM 1802 O ASN A 111 -7.525 3.053 6.943 1.00 0.00 O ATOM 1803 CB ASN A 111 -9.026 1.145 5.248 1.00 0.00 C ATOM 1804 CG ASN A 111 -10.446 1.661 5.387 1.00 0.00 C ATOM 1805 OD1 ASN A 111 -10.683 2.765 5.867 1.00 0.00 O ATOM 1806 ND2 ASN A 111 -11.405 0.868 4.940 1.00 0.00 N ATOM 0 H ASN A 111 -6.433 0.947 5.183 1.00 0.00 H new ATOM 0 HA ASN A 111 -8.452 2.655 3.851 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -9.018 0.305 4.554 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -8.689 0.765 6.212 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -12.379 1.168 4.988 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -11.171 -0.044 4.547 1.00 0.00 H new ATOM 1813 N ILE A 112 -8.054 4.550 5.347 1.00 0.00 N ATOM 1814 CA ILE A 112 -7.823 5.719 6.182 1.00 0.00 C ATOM 1815 C ILE A 112 -8.964 5.895 7.176 1.00 0.00 C ATOM 1816 O ILE A 112 -8.758 6.324 8.311 1.00 0.00 O ATOM 1817 CB ILE A 112 -7.675 6.994 5.321 1.00 0.00 C ATOM 1818 CG1 ILE A 112 -6.561 6.811 4.277 1.00 0.00 C ATOM 1819 CG2 ILE A 112 -7.390 8.207 6.198 1.00 0.00 C ATOM 1820 CD1 ILE A 112 -5.202 6.529 4.880 1.00 0.00 C ATOM 0 H ILE A 112 -8.380 4.768 4.405 1.00 0.00 H new ATOM 0 HA ILE A 112 -6.894 5.562 6.730 1.00 0.00 H new ATOM 0 HB ILE A 112 -8.616 7.165 4.798 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -6.830 5.991 3.611 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.497 7.711 3.665 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -7.289 9.093 5.572 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.212 8.350 6.900 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -6.465 8.047 6.751 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.468 6.412 4.083 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -4.910 7.359 5.523 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.248 5.613 5.469 1.00 0.00 H new ATOM 1832 N HIS A 113 -10.165 5.532 6.753 1.00 0.00 N ATOM 1833 CA HIS A 113 -11.334 5.621 7.613 1.00 0.00 C ATOM 1834 C HIS A 113 -11.164 4.716 8.827 1.00 0.00 C ATOM 1835 O HIS A 113 -11.438 5.116 9.955 1.00 0.00 O ATOM 1836 CB HIS A 113 -12.600 5.227 6.848 1.00 0.00 C ATOM 1837 CG HIS A 113 -13.862 5.432 7.633 1.00 0.00 C ATOM 1838 ND1 HIS A 113 -14.421 4.460 8.435 1.00 0.00 N ATOM 1839 CD2 HIS A 113 -14.676 6.512 7.735 1.00 0.00 C ATOM 1840 CE1 HIS A 113 -15.520 4.932 8.992 1.00 0.00 C ATOM 1841 NE2 HIS A 113 -15.697 6.173 8.587 1.00 0.00 N ATOM 0 H HIS A 113 -10.355 5.172 5.818 1.00 0.00 H new ATOM 0 HA HIS A 113 -11.434 6.654 7.946 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -12.655 5.809 5.928 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -12.528 4.179 6.558 1.00 0.00 H new ATOM 0 HD1 HIS A 113 -14.044 3.523 8.576 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -14.545 7.462 7.238 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -16.167 4.391 9.667 1.00 0.00 H new ATOM 1850 N GLU A 114 -10.701 3.499 8.582 1.00 0.00 N ATOM 1851 CA GLU A 114 -10.515 2.519 9.644 1.00 0.00 C ATOM 1852 C GLU A 114 -9.152 2.686 10.306 1.00 0.00 C ATOM 1853 O GLU A 114 -8.894 2.097 11.358 1.00 0.00 O ATOM 1854 CB GLU A 114 -10.637 1.098 9.085 1.00 0.00 C ATOM 1855 CG GLU A 114 -11.927 0.836 8.324 1.00 0.00 C ATOM 1856 CD GLU A 114 -13.161 0.953 9.187 1.00 0.00 C ATOM 1857 OE1 GLU A 114 -13.518 -0.036 9.859 1.00 0.00 O ATOM 1858 OE2 GLU A 114 -13.791 2.028 9.191 1.00 0.00 O ATOM 0 H GLU A 114 -10.446 3.165 7.653 1.00 0.00 H new ATOM 0 HA GLU A 114 -11.292 2.684 10.390 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -9.793 0.906 8.423 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -10.564 0.388 9.909 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -12.002 1.541 7.496 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -11.889 -0.163 7.890 1.00 0.00 H new ATOM 1865 N GLN A 115 -8.288 3.488 9.680 1.00 0.00 N ATOM 1866 CA GLN A 115 -6.913 3.683 10.149 1.00 0.00 C ATOM 1867 C GLN A 115 -6.175 2.346 10.198 1.00 0.00 C ATOM 1868 O GLN A 115 -5.470 2.044 11.160 1.00 0.00 O ATOM 1869 CB GLN A 115 -6.902 4.353 11.529 1.00 0.00 C ATOM 1870 CG GLN A 115 -7.430 5.779 11.518 1.00 0.00 C ATOM 1871 CD GLN A 115 -6.497 6.751 10.816 1.00 0.00 C ATOM 1872 OE1 GLN A 115 -5.278 6.593 10.842 1.00 0.00 O ATOM 1873 NE2 GLN A 115 -7.066 7.753 10.169 1.00 0.00 N ATOM 0 H GLN A 115 -8.519 4.018 8.839 1.00 0.00 H new ATOM 0 HA GLN A 115 -6.399 4.339 9.447 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -7.502 3.758 12.217 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -5.882 4.355 11.914 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -8.402 5.797 11.026 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -7.586 6.111 12.544 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -8.081 7.850 10.171 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -6.490 8.429 9.668 1.00 0.00 H new ATOM 1882 N LYS A 116 -6.332 1.554 9.145 1.00 0.00 N ATOM 1883 CA LYS A 116 -5.759 0.213 9.106 1.00 0.00 C ATOM 1884 C LYS A 116 -5.199 -0.107 7.727 1.00 0.00 C ATOM 1885 O LYS A 116 -5.791 0.243 6.706 1.00 0.00 O ATOM 1886 CB LYS A 116 -6.820 -0.828 9.477 1.00 0.00 C ATOM 1887 CG LYS A 116 -7.313 -0.720 10.909 1.00 0.00 C ATOM 1888 CD LYS A 116 -8.563 -1.551 11.132 1.00 0.00 C ATOM 1889 CE LYS A 116 -9.036 -1.452 12.570 1.00 0.00 C ATOM 1890 NZ LYS A 116 -10.374 -2.067 12.761 1.00 0.00 N ATOM 0 H LYS A 116 -6.851 1.816 8.307 1.00 0.00 H new ATOM 0 HA LYS A 116 -4.944 0.179 9.829 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -7.669 -0.723 8.802 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -6.408 -1.825 9.319 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -6.529 -1.050 11.590 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -7.522 0.323 11.145 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -9.353 -1.212 10.462 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -8.360 -2.593 10.884 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -8.315 -1.944 13.223 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -9.073 -0.404 12.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -10.658 -1.977 13.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -11.068 -1.582 12.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -10.334 -3.073 12.502 1.00 0.00 H new ATOM 1904 N ARG A 117 -4.048 -0.764 7.705 1.00 0.00 N ATOM 1905 CA ARG A 117 -3.465 -1.242 6.463 1.00 0.00 C ATOM 1906 C ARG A 117 -3.647 -2.753 6.360 1.00 0.00 C ATOM 1907 O ARG A 117 -3.047 -3.517 7.117 1.00 0.00 O ATOM 1908 CB ARG A 117 -1.979 -0.868 6.366 1.00 0.00 C ATOM 1909 CG ARG A 117 -1.732 0.635 6.361 1.00 0.00 C ATOM 1910 CD ARG A 117 -0.315 0.987 5.926 1.00 0.00 C ATOM 1911 NE ARG A 117 0.704 0.438 6.818 1.00 0.00 N ATOM 1912 CZ ARG A 117 2.001 0.377 6.520 1.00 0.00 C ATOM 1913 NH1 ARG A 117 2.454 0.892 5.383 1.00 0.00 N ATOM 1914 NH2 ARG A 117 2.848 -0.170 7.372 1.00 0.00 N ATOM 0 H ARG A 117 -3.499 -0.978 8.538 1.00 0.00 H new ATOM 0 HA ARG A 117 -3.979 -0.762 5.631 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -1.444 -1.314 7.205 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -1.562 -1.300 5.456 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -2.445 1.116 5.691 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -1.913 1.034 7.359 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -0.147 0.613 4.916 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -0.211 2.071 5.886 1.00 0.00 H new ATOM 0 HE ARG A 117 0.404 0.079 7.724 1.00 0.00 H new ATOM 0 HH11 ARG A 117 1.808 1.338 4.732 1.00 0.00 H new ATOM 0 HH12 ARG A 117 3.448 0.842 5.161 1.00 0.00 H new ATOM 0 HH21 ARG A 117 2.509 -0.546 8.258 1.00 0.00 H new ATOM 0 HH22 ARG A 117 3.841 -0.217 7.145 1.00 0.00 H new ATOM 1928 N TYR A 118 -4.504 -3.167 5.438 1.00 0.00 N ATOM 1929 CA TYR A 118 -4.833 -4.573 5.265 1.00 0.00 C ATOM 1930 C TYR A 118 -3.924 -5.214 4.223 1.00 0.00 C ATOM 1931 O TYR A 118 -3.774 -4.696 3.114 1.00 0.00 O ATOM 1932 CB TYR A 118 -6.286 -4.728 4.816 1.00 0.00 C ATOM 1933 CG TYR A 118 -7.309 -4.082 5.725 1.00 0.00 C ATOM 1934 CD1 TYR A 118 -7.709 -2.768 5.522 1.00 0.00 C ATOM 1935 CD2 TYR A 118 -7.889 -4.790 6.769 1.00 0.00 C ATOM 1936 CE1 TYR A 118 -8.661 -2.179 6.328 1.00 0.00 C ATOM 1937 CE2 TYR A 118 -8.841 -4.205 7.583 1.00 0.00 C ATOM 1938 CZ TYR A 118 -9.222 -2.899 7.360 1.00 0.00 C ATOM 1939 OH TYR A 118 -10.178 -2.313 8.160 1.00 0.00 O ATOM 0 H TYR A 118 -4.988 -2.542 4.793 1.00 0.00 H new ATOM 0 HA TYR A 118 -4.690 -5.070 6.224 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -6.389 -4.303 3.818 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -6.514 -5.791 4.735 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -7.267 -2.197 4.719 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -7.592 -5.813 6.948 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -8.965 -1.158 6.151 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -9.284 -4.769 8.390 1.00 0.00 H new ATOM 0 HH TYR A 118 -10.473 -2.954 8.840 1.00 0.00 H new ATOM 1949 N TYR A 119 -3.324 -6.336 4.585 1.00 0.00 N ATOM 1950 CA TYR A 119 -2.495 -7.098 3.662 1.00 0.00 C ATOM 1951 C TYR A 119 -3.180 -8.414 3.301 1.00 0.00 C ATOM 1952 O TYR A 119 -3.236 -9.340 4.116 1.00 0.00 O ATOM 1953 CB TYR A 119 -1.124 -7.388 4.285 1.00 0.00 C ATOM 1954 CG TYR A 119 -0.364 -6.155 4.724 1.00 0.00 C ATOM 1955 CD1 TYR A 119 0.467 -5.472 3.846 1.00 0.00 C ATOM 1956 CD2 TYR A 119 -0.469 -5.685 6.025 1.00 0.00 C ATOM 1957 CE1 TYR A 119 1.168 -4.353 4.253 1.00 0.00 C ATOM 1958 CE2 TYR A 119 0.230 -4.570 6.439 1.00 0.00 C ATOM 1959 CZ TYR A 119 1.047 -3.906 5.550 1.00 0.00 C ATOM 1960 OH TYR A 119 1.750 -2.801 5.963 1.00 0.00 O ATOM 0 H TYR A 119 -3.396 -6.742 5.518 1.00 0.00 H new ATOM 0 HA TYR A 119 -2.356 -6.505 2.758 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -1.261 -8.042 5.146 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -0.518 -7.935 3.563 1.00 0.00 H new ATOM 0 HD1 TYR A 119 0.567 -5.821 2.829 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -1.109 -6.201 6.726 1.00 0.00 H new ATOM 0 HE1 TYR A 119 1.808 -3.831 3.557 1.00 0.00 H new ATOM 0 HE2 TYR A 119 0.137 -4.219 7.456 1.00 0.00 H new ATOM 0 HH TYR A 119 1.937 -2.872 6.922 1.00 0.00 H new ATOM 1970 N TYR A 120 -3.718 -8.487 2.092 1.00 0.00 N ATOM 1971 CA TYR A 120 -4.363 -9.707 1.621 1.00 0.00 C ATOM 1972 C TYR A 120 -3.484 -10.409 0.596 1.00 0.00 C ATOM 1973 O TYR A 120 -2.721 -9.765 -0.125 1.00 0.00 O ATOM 1974 CB TYR A 120 -5.716 -9.416 0.959 1.00 0.00 C ATOM 1975 CG TYR A 120 -6.709 -8.661 1.811 1.00 0.00 C ATOM 1976 CD1 TYR A 120 -7.569 -9.331 2.674 1.00 0.00 C ATOM 1977 CD2 TYR A 120 -6.809 -7.281 1.724 1.00 0.00 C ATOM 1978 CE1 TYR A 120 -8.494 -8.641 3.433 1.00 0.00 C ATOM 1979 CE2 TYR A 120 -7.734 -6.585 2.474 1.00 0.00 C ATOM 1980 CZ TYR A 120 -8.574 -7.268 3.328 1.00 0.00 C ATOM 1981 OH TYR A 120 -9.499 -6.573 4.072 1.00 0.00 O ATOM 0 H TYR A 120 -3.722 -7.719 1.420 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.517 -10.339 2.496 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -5.539 -8.846 0.047 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -6.166 -10.363 0.661 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -7.513 -10.407 2.752 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -6.152 -6.742 1.058 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -9.151 -9.173 4.105 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -7.800 -5.510 2.393 1.00 0.00 H new ATOM 0 HH TYR A 120 -9.044 -6.097 4.798 1.00 0.00 H new ATOM 1991 N THR A 121 -3.596 -11.722 0.532 1.00 0.00 N ATOM 1992 CA THR A 121 -2.983 -12.483 -0.541 1.00 0.00 C ATOM 1993 C THR A 121 -3.968 -12.558 -1.718 1.00 0.00 C ATOM 1994 O THR A 121 -5.057 -11.992 -1.635 1.00 0.00 O ATOM 1995 CB THR A 121 -2.573 -13.896 -0.066 1.00 0.00 C ATOM 1996 OG1 THR A 121 -1.885 -14.595 -1.111 1.00 0.00 O ATOM 1997 CG2 THR A 121 -3.784 -14.701 0.385 1.00 0.00 C ATOM 0 H THR A 121 -4.107 -12.285 1.212 1.00 0.00 H new ATOM 0 HA THR A 121 -2.070 -11.982 -0.862 1.00 0.00 H new ATOM 0 HB THR A 121 -1.904 -13.778 0.787 1.00 0.00 H new ATOM 0 HG1 THR A 121 -0.993 -14.207 -1.232 1.00 0.00 H new ATOM 0 HG21 THR A 121 -3.462 -15.689 0.713 1.00 0.00 H new ATOM 0 HG22 THR A 121 -4.276 -14.187 1.211 1.00 0.00 H new ATOM 0 HG23 THR A 121 -4.482 -14.804 -0.446 1.00 0.00 H new ATOM 2005 N PHE A 122 -3.605 -13.241 -2.804 1.00 0.00 N ATOM 2006 CA PHE A 122 -4.468 -13.296 -3.991 1.00 0.00 C ATOM 2007 C PHE A 122 -5.745 -14.081 -3.694 1.00 0.00 C ATOM 2008 O PHE A 122 -6.748 -13.959 -4.398 1.00 0.00 O ATOM 2009 CB PHE A 122 -3.728 -13.913 -5.188 1.00 0.00 C ATOM 2010 CG PHE A 122 -3.457 -15.388 -5.067 1.00 0.00 C ATOM 2011 CD1 PHE A 122 -2.378 -15.854 -4.336 1.00 0.00 C ATOM 2012 CD2 PHE A 122 -4.281 -16.310 -5.697 1.00 0.00 C ATOM 2013 CE1 PHE A 122 -2.126 -17.206 -4.231 1.00 0.00 C ATOM 2014 CE2 PHE A 122 -4.033 -17.667 -5.595 1.00 0.00 C ATOM 2015 CZ PHE A 122 -2.953 -18.113 -4.862 1.00 0.00 C ATOM 0 H PHE A 122 -2.731 -13.759 -2.890 1.00 0.00 H new ATOM 0 HA PHE A 122 -4.740 -12.273 -4.252 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -4.315 -13.738 -6.090 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -2.779 -13.393 -5.319 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -1.725 -15.150 -3.842 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -5.126 -15.964 -6.274 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -1.282 -17.555 -3.655 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -4.683 -18.375 -6.088 1.00 0.00 H new ATOM 0 HZ PHE A 122 -2.755 -19.172 -4.782 1.00 0.00 H new ATOM 2025 N ASP A 123 -5.693 -14.890 -2.642 1.00 0.00 N ATOM 2026 CA ASP A 123 -6.855 -15.635 -2.165 1.00 0.00 C ATOM 2027 C ASP A 123 -7.852 -14.681 -1.503 1.00 0.00 C ATOM 2028 O ASP A 123 -9.030 -14.997 -1.354 1.00 0.00 O ATOM 2029 CB ASP A 123 -6.393 -16.700 -1.162 1.00 0.00 C ATOM 2030 CG ASP A 123 -7.506 -17.616 -0.683 1.00 0.00 C ATOM 2031 OD1 ASP A 123 -8.316 -17.194 0.169 1.00 0.00 O ATOM 2032 OD2 ASP A 123 -7.547 -18.783 -1.126 1.00 0.00 O ATOM 0 H ASP A 123 -4.846 -15.049 -2.096 1.00 0.00 H new ATOM 0 HA ASP A 123 -7.348 -16.122 -3.006 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -5.611 -17.304 -1.622 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -5.947 -16.204 -0.300 1.00 0.00 H new ATOM 2037 N ASN A 124 -7.349 -13.495 -1.146 1.00 0.00 N ATOM 2038 CA ASN A 124 -8.095 -12.486 -0.388 1.00 0.00 C ATOM 2039 C ASN A 124 -8.166 -12.860 1.082 1.00 0.00 C ATOM 2040 O ASN A 124 -8.958 -12.305 1.844 1.00 0.00 O ATOM 2041 CB ASN A 124 -9.498 -12.243 -0.962 1.00 0.00 C ATOM 2042 CG ASN A 124 -9.460 -11.447 -2.251 1.00 0.00 C ATOM 2043 OD1 ASN A 124 -8.568 -10.626 -2.460 1.00 0.00 O ATOM 2044 ND2 ASN A 124 -10.430 -11.676 -3.124 1.00 0.00 N ATOM 0 H ASN A 124 -6.399 -13.205 -1.379 1.00 0.00 H new ATOM 0 HA ASN A 124 -7.549 -11.547 -0.481 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -9.985 -13.201 -1.143 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -10.102 -11.712 -0.227 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -10.454 -11.163 -4.005 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -11.152 -12.365 -2.915 1.00 0.00 H new ATOM 2051 N SER A 125 -7.317 -13.797 1.480 1.00 0.00 N ATOM 2052 CA SER A 125 -7.144 -14.113 2.884 1.00 0.00 C ATOM 2053 C SER A 125 -6.406 -12.968 3.572 1.00 0.00 C ATOM 2054 O SER A 125 -5.387 -12.489 3.064 1.00 0.00 O ATOM 2055 CB SER A 125 -6.347 -15.407 3.052 1.00 0.00 C ATOM 2056 OG SER A 125 -6.988 -16.506 2.423 1.00 0.00 O ATOM 0 H SER A 125 -6.739 -14.350 0.847 1.00 0.00 H new ATOM 0 HA SER A 125 -8.126 -14.248 3.337 1.00 0.00 H new ATOM 0 HB2 SER A 125 -5.350 -15.277 2.630 1.00 0.00 H new ATOM 0 HB3 SER A 125 -6.219 -15.620 4.113 1.00 0.00 H new ATOM 0 HG SER A 125 -7.227 -16.263 1.504 1.00 0.00 H new ATOM 2062 N LEU A 126 -6.924 -12.521 4.706 1.00 0.00 N ATOM 2063 CA LEU A 126 -6.283 -11.458 5.462 1.00 0.00 C ATOM 2064 C LEU A 126 -5.086 -12.007 6.228 1.00 0.00 C ATOM 2065 O LEU A 126 -5.240 -12.717 7.225 1.00 0.00 O ATOM 2066 CB LEU A 126 -7.278 -10.804 6.426 1.00 0.00 C ATOM 2067 CG LEU A 126 -6.728 -9.626 7.237 1.00 0.00 C ATOM 2068 CD1 LEU A 126 -6.252 -8.515 6.313 1.00 0.00 C ATOM 2069 CD2 LEU A 126 -7.783 -9.104 8.199 1.00 0.00 C ATOM 0 H LEU A 126 -7.785 -12.877 5.122 1.00 0.00 H new ATOM 0 HA LEU A 126 -5.935 -10.698 4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -8.139 -10.459 5.854 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.639 -11.564 7.119 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.875 -9.977 7.818 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -5.865 -7.688 6.908 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -5.463 -8.895 5.664 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -7.086 -8.165 5.705 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -7.376 -8.268 8.767 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.655 -8.770 7.637 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -8.076 -9.899 8.884 1.00 0.00 H new ATOM 2081 N LEU A 127 -3.897 -11.694 5.745 1.00 0.00 N ATOM 2082 CA LEU A 127 -2.678 -12.166 6.378 1.00 0.00 C ATOM 2083 C LEU A 127 -2.322 -11.285 7.562 1.00 0.00 C ATOM 2084 O LEU A 127 -1.987 -11.783 8.638 1.00 0.00 O ATOM 2085 CB LEU A 127 -1.524 -12.196 5.373 1.00 0.00 C ATOM 2086 CG LEU A 127 -1.677 -13.215 4.244 1.00 0.00 C ATOM 2087 CD1 LEU A 127 -0.493 -13.140 3.291 1.00 0.00 C ATOM 2088 CD2 LEU A 127 -1.815 -14.622 4.816 1.00 0.00 C ATOM 0 H LEU A 127 -3.749 -11.116 4.918 1.00 0.00 H new ATOM 0 HA LEU A 127 -2.849 -13.181 6.736 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -1.418 -11.204 4.935 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -0.600 -12.408 5.910 1.00 0.00 H new ATOM 0 HG LEU A 127 -2.582 -12.978 3.684 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -0.620 -13.873 2.494 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -0.436 -12.141 2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 127 0.427 -13.353 3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -1.923 -15.337 4.001 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -0.927 -14.867 5.398 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -2.694 -14.669 5.459 1.00 0.00 H new ATOM 2100 N PHE A 128 -2.419 -9.977 7.369 1.00 0.00 N ATOM 2101 CA PHE A 128 -2.085 -9.033 8.421 1.00 0.00 C ATOM 2102 C PHE A 128 -2.892 -7.752 8.261 1.00 0.00 C ATOM 2103 O PHE A 128 -3.170 -7.317 7.143 1.00 0.00 O ATOM 2104 CB PHE A 128 -0.588 -8.721 8.381 1.00 0.00 C ATOM 2105 CG PHE A 128 -0.068 -8.041 9.618 1.00 0.00 C ATOM 2106 CD1 PHE A 128 0.024 -8.741 10.808 1.00 0.00 C ATOM 2107 CD2 PHE A 128 0.346 -6.719 9.589 1.00 0.00 C ATOM 2108 CE1 PHE A 128 0.514 -8.140 11.947 1.00 0.00 C ATOM 2109 CE2 PHE A 128 0.837 -6.109 10.728 1.00 0.00 C ATOM 2110 CZ PHE A 128 0.923 -6.824 11.909 1.00 0.00 C ATOM 0 H PHE A 128 -2.726 -9.548 6.496 1.00 0.00 H new ATOM 0 HA PHE A 128 -2.331 -9.478 9.385 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -0.038 -9.650 8.232 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -0.383 -8.088 7.518 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -0.293 -9.773 10.845 1.00 0.00 H new ATOM 0 HD2 PHE A 128 0.284 -6.160 8.667 1.00 0.00 H new ATOM 0 HE1 PHE A 128 0.578 -8.699 12.869 1.00 0.00 H new ATOM 0 HE2 PHE A 128 1.153 -5.077 10.696 1.00 0.00 H new ATOM 0 HZ PHE A 128 1.310 -6.352 12.800 1.00 0.00 H new ATOM 2120 N THR A 129 -3.283 -7.169 9.380 1.00 0.00 N ATOM 2121 CA THR A 129 -3.952 -5.884 9.378 1.00 0.00 C ATOM 2122 C THR A 129 -3.405 -5.023 10.514 1.00 0.00 C ATOM 2123 O THR A 129 -3.589 -5.329 11.695 1.00 0.00 O ATOM 2124 CB THR A 129 -5.493 -6.030 9.487 1.00 0.00 C ATOM 2125 OG1 THR A 129 -6.112 -4.743 9.585 1.00 0.00 O ATOM 2126 CG2 THR A 129 -5.895 -6.883 10.683 1.00 0.00 C ATOM 0 H THR A 129 -3.146 -7.570 10.308 1.00 0.00 H new ATOM 0 HA THR A 129 -3.750 -5.396 8.424 1.00 0.00 H new ATOM 0 HB THR A 129 -5.836 -6.531 8.581 1.00 0.00 H new ATOM 0 HG1 THR A 129 -6.759 -4.635 8.857 1.00 0.00 H new ATOM 0 HG21 THR A 129 -6.981 -6.962 10.725 1.00 0.00 H new ATOM 0 HG22 THR A 129 -5.463 -7.878 10.582 1.00 0.00 H new ATOM 0 HG23 THR A 129 -5.529 -6.420 11.599 1.00 0.00 H new ATOM 2134 N GLU A 130 -2.688 -3.975 10.158 1.00 0.00 N ATOM 2135 CA GLU A 130 -2.079 -3.108 11.148 1.00 0.00 C ATOM 2136 C GLU A 130 -2.816 -1.780 11.228 1.00 0.00 C ATOM 2137 O GLU A 130 -3.075 -1.136 10.210 1.00 0.00 O ATOM 2138 CB GLU A 130 -0.603 -2.874 10.824 1.00 0.00 C ATOM 2139 CG GLU A 130 -0.360 -2.413 9.398 1.00 0.00 C ATOM 2140 CD GLU A 130 1.066 -1.978 9.163 1.00 0.00 C ATOM 2141 OE1 GLU A 130 1.376 -0.802 9.444 1.00 0.00 O ATOM 2142 OE2 GLU A 130 1.877 -2.792 8.671 1.00 0.00 O ATOM 0 H GLU A 130 -2.513 -3.703 9.191 1.00 0.00 H new ATOM 0 HA GLU A 130 -2.149 -3.601 12.118 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -0.202 -2.129 11.511 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -0.051 -3.797 10.998 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -0.607 -3.223 8.711 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -1.031 -1.585 9.169 1.00 0.00 H new ATOM 2149 N SER A 131 -3.180 -1.393 12.437 1.00 0.00 N ATOM 2150 CA SER A 131 -3.777 -0.093 12.665 1.00 0.00 C ATOM 2151 C SER A 131 -2.675 0.956 12.726 1.00 0.00 C ATOM 2152 O SER A 131 -1.836 0.926 13.628 1.00 0.00 O ATOM 2153 CB SER A 131 -4.582 -0.104 13.966 1.00 0.00 C ATOM 2154 OG SER A 131 -5.494 -1.190 13.975 1.00 0.00 O ATOM 0 H SER A 131 -3.072 -1.962 13.276 1.00 0.00 H new ATOM 0 HA SER A 131 -4.457 0.148 11.848 1.00 0.00 H new ATOM 0 HB2 SER A 131 -3.907 -0.181 14.818 1.00 0.00 H new ATOM 0 HB3 SER A 131 -5.124 0.835 14.073 1.00 0.00 H new ATOM 0 HG SER A 131 -6.000 -1.185 14.814 1.00 0.00 H new ATOM 2160 N ILE A 132 -2.662 1.853 11.747 1.00 0.00 N ATOM 2161 CA ILE A 132 -1.613 2.860 11.653 1.00 0.00 C ATOM 2162 C ILE A 132 -1.648 3.798 12.852 1.00 0.00 C ATOM 2163 O ILE A 132 -2.613 4.530 13.069 1.00 0.00 O ATOM 2164 CB ILE A 132 -1.687 3.665 10.335 1.00 0.00 C ATOM 2165 CG1 ILE A 132 -3.127 4.098 10.032 1.00 0.00 C ATOM 2166 CG2 ILE A 132 -1.121 2.844 9.187 1.00 0.00 C ATOM 2167 CD1 ILE A 132 -3.264 4.919 8.766 1.00 0.00 C ATOM 0 H ILE A 132 -3.364 1.903 11.009 1.00 0.00 H new ATOM 0 HA ILE A 132 -0.663 2.325 11.654 1.00 0.00 H new ATOM 0 HB ILE A 132 -1.086 4.567 10.451 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -3.754 3.210 9.948 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -3.507 4.678 10.873 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -1.178 3.421 8.264 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -0.080 2.596 9.396 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -1.698 1.926 9.077 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -4.310 5.188 8.618 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -2.665 5.826 8.854 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -2.916 4.335 7.914 1.00 0.00 H new ATOM 2179 N GLN A 133 -0.587 3.740 13.640 1.00 0.00 N ATOM 2180 CA GLN A 133 -0.495 4.509 14.865 1.00 0.00 C ATOM 2181 C GLN A 133 -0.355 5.997 14.597 1.00 0.00 C ATOM 2182 O GLN A 133 0.581 6.442 13.933 1.00 0.00 O ATOM 2183 CB GLN A 133 0.669 4.013 15.719 1.00 0.00 C ATOM 2184 CG GLN A 133 0.309 2.822 16.586 1.00 0.00 C ATOM 2185 CD GLN A 133 -0.679 3.189 17.681 1.00 0.00 C ATOM 2186 OE1 GLN A 133 -1.471 4.114 17.533 1.00 0.00 O ATOM 2187 NE2 GLN A 133 -0.645 2.462 18.782 1.00 0.00 N ATOM 0 H GLN A 133 0.230 3.161 13.448 1.00 0.00 H new ATOM 0 HA GLN A 133 -1.428 4.362 15.410 1.00 0.00 H new ATOM 0 HB2 GLN A 133 1.500 3.742 15.067 1.00 0.00 H new ATOM 0 HB3 GLN A 133 1.016 4.826 16.356 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -0.117 2.036 15.962 1.00 0.00 H new ATOM 0 HG3 GLN A 133 1.214 2.416 17.037 1.00 0.00 H new ATOM 0 HE21 GLN A 133 0.028 1.700 18.870 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -1.291 2.662 19.545 1.00 0.00 H new