USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 923 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 25 TYR OH : rot 32:sc= 0.215 USER MOD Set 1.2: A 47 HIS : no HE2:sc= -0.978 K(o=-0.11,f=-6!) USER MOD Set 1.3: A 79 THR OG1 : rot 78:sc= 0.654 USER MOD Set 2.1: A 17 LYS NZ :NH3+ 145:sc= 0.142 (180deg=0) USER MOD Set 2.2: A 77 GLN : amide:sc= 0.135 X(o=0.28,f=0) USER MOD Set 3.1: A 49 ASN : amide:sc= -0.0697 K(o=0.64,f=-1.5) USER MOD Set 3.2: A 52 SER OG : rot 13:sc= 0.71 USER MOD Set 4.1: A 44 THR OG1 : rot -166:sc= 0.409 USER MOD Set 4.2: A 80 THR OG1 : rot 180:sc= 0 USER MOD Set 4.3: A 117 GLN : amide:sc= -0.688 K(o=-0.28,f=-2.5!) USER MOD Set 5.1: A 13 HIS : no HE2:sc= -0.33 K(o=-0.15,f=-2) USER MOD Set 5.2: A 40 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.121) USER MOD Set 5.3: A 43 ASN :FLIP amide:sc= 0.177 F(o=-0.73,f=-0.15) USER MOD Set 6.1: A 11 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 12 GLN :FLIP amide:sc= -0.139 F(o=-0.79,f=-0.14) USER MOD Set 7.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 7.2: A 8 HIS :FLIP no HD1:sc= -0.418 F(o=-1.2,f=-0.42) USER MOD Single : A 3 ASN :FLIP amide:sc= 0.613 F(o=-0.00065,f=0.61) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.361 X(o=-0.36,f=0) USER MOD Single : A 28 SER OG : rot 88:sc= 0.398 USER MOD Single : A 30 MET CE :methyl -165:sc= -0.689 (180deg=-1.54) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0671 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0437) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.416 X(o=-0.42,f=-0.26) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.366 X(o=-0.37,f=-0.26) USER MOD Single : A 63 ASN : amide:sc= -0.0764 X(o=-0.076,f=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 68 ASN : amide:sc= -0.0138 X(o=-0.014,f=0.032) USER MOD Single : A 72 SER OG : rot 57:sc= 0.916 USER MOD Single : A 73 LYS NZ :NH3+ -166:sc= -0.0194 (180deg=-0.232) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 165:sc=-0.00109 (180deg=-0.257) USER MOD Single : A 84 HIS :FLIP no HD1:sc= -0.0231 F(o=-0.9,f=-0.023) USER MOD Single : A 87 SER OG : rot 165:sc= 0.24 USER MOD Single : A 93 GLN : amide:sc= 0.0457 X(o=0.046,f=0) USER MOD Single : A 94 TYR OH : rot 30:sc= 0.0181 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.819 K(o=-0.82,f=-2.2!) USER MOD Single : A 109 ASN : amide:sc= -0.133 X(o=-0.13,f=-0.19) USER MOD Single : A 114 HIS :FLIP no HE2:sc= -1.45 F(o=-4!,f=-1.5) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N ASN A 3 4.382 -5.178 2.735 1.00 0.00 N ATOM 33 CA ASN A 3 5.030 -4.989 4.009 1.00 0.00 C ATOM 34 C ASN A 3 5.421 -3.540 4.122 1.00 0.00 C ATOM 35 O ASN A 3 6.074 -3.136 5.079 1.00 0.00 O ATOM 36 CB ASN A 3 6.211 -5.936 4.338 1.00 0.00 C ATOM 37 CG ASN A 3 6.253 -6.275 5.833 1.00 0.00 C ATOM 38 OD1 ASN A 3 6.096 -7.605 6.109 1.00 0.00 O flip ATOM 39 ND2 ASN A 3 6.435 -5.426 6.712 1.00 0.00 N flip ATOM 0 HA ASN A 3 4.300 -5.270 4.769 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.117 -6.854 3.757 1.00 0.00 H new ATOM 0 HB3 ASN A 3 7.149 -5.467 4.043 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.547 -4.445 6.458 1.00 0.00 H new ATOM 0 HD22 ASN A 3 6.473 -5.707 7.692 1.00 0.00 H new ATOM 46 N SER A 4 5.002 -2.709 3.142 1.00 0.00 N ATOM 47 CA SER A 4 5.018 -1.282 3.287 1.00 0.00 C ATOM 48 C SER A 4 3.678 -0.918 3.823 1.00 0.00 C ATOM 49 O SER A 4 3.541 0.064 4.548 1.00 0.00 O ATOM 50 CB SER A 4 5.232 -0.529 1.969 1.00 0.00 C ATOM 51 OG SER A 4 6.466 -0.913 1.384 1.00 0.00 O ATOM 0 H SER A 4 4.649 -3.032 2.241 1.00 0.00 H new ATOM 0 HA SER A 4 5.849 -1.003 3.934 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.413 -0.742 1.282 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.225 0.546 2.150 1.00 0.00 H new ATOM 0 HG SER A 4 6.594 -0.428 0.542 1.00 0.00 H new ATOM 57 N ARG A 5 2.663 -1.733 3.455 1.00 0.00 N ATOM 58 CA ARG A 5 1.290 -1.598 3.858 1.00 0.00 C ATOM 59 C ARG A 5 1.190 -1.727 5.341 1.00 0.00 C ATOM 60 O ARG A 5 0.568 -0.891 6.004 1.00 0.00 O ATOM 61 CB ARG A 5 0.429 -2.723 3.257 1.00 0.00 C ATOM 62 CG ARG A 5 -0.713 -2.235 2.363 1.00 0.00 C ATOM 63 CD ARG A 5 -1.800 -1.475 3.122 1.00 0.00 C ATOM 64 NE ARG A 5 -2.906 -1.218 2.161 1.00 0.00 N ATOM 65 CZ ARG A 5 -2.984 -0.072 1.420 1.00 0.00 C ATOM 66 NH1 ARG A 5 -2.025 0.893 1.516 1.00 0.00 N ATOM 67 NH2 ARG A 5 -4.037 0.105 0.567 1.00 0.00 N ATOM 0 H ARG A 5 2.812 -2.533 2.840 1.00 0.00 H new ATOM 0 HA ARG A 5 0.939 -0.625 3.513 1.00 0.00 H new ATOM 0 HB2 ARG A 5 1.071 -3.385 2.676 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.010 -3.317 4.069 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -0.305 -1.589 1.586 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -1.163 -3.092 1.862 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -2.156 -2.058 3.972 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.409 -0.538 3.519 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.634 -1.924 2.051 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -1.234 0.765 2.148 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -2.098 1.742 0.956 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -4.756 -0.615 0.488 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -4.104 0.957 0.010 1.00 0.00 H new ATOM 81 N TYR A 6 1.829 -2.797 5.864 1.00 0.00 N ATOM 82 CA TYR A 6 2.021 -3.097 7.223 1.00 0.00 C ATOM 83 C TYR A 6 2.592 -1.984 7.995 1.00 0.00 C ATOM 84 O TYR A 6 1.958 -1.520 8.931 1.00 0.00 O ATOM 85 CB TYR A 6 3.052 -4.205 7.275 1.00 0.00 C ATOM 86 CG TYR A 6 3.103 -4.698 8.643 1.00 0.00 C ATOM 87 CD1 TYR A 6 1.991 -5.355 9.075 1.00 0.00 C ATOM 88 CD2 TYR A 6 4.192 -4.555 9.469 1.00 0.00 C ATOM 89 CE1 TYR A 6 1.999 -6.014 10.270 1.00 0.00 C ATOM 90 CE2 TYR A 6 4.177 -5.152 10.703 1.00 0.00 C ATOM 91 CZ TYR A 6 3.088 -5.902 11.111 1.00 0.00 C ATOM 92 OH TYR A 6 3.075 -6.513 12.381 1.00 0.00 O ATOM 0 H TYR A 6 2.243 -3.507 5.260 1.00 0.00 H new ATOM 0 HA TYR A 6 1.049 -3.346 7.648 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.785 -5.009 6.589 1.00 0.00 H new ATOM 0 HB3 TYR A 6 4.029 -3.833 6.966 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.098 -5.354 8.468 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.049 -3.980 9.150 1.00 0.00 H new ATOM 0 HE1 TYR A 6 1.154 -6.622 10.557 1.00 0.00 H new ATOM 0 HE2 TYR A 6 5.024 -5.036 11.363 1.00 0.00 H new ATOM 0 HH TYR A 6 3.923 -6.334 12.839 1.00 0.00 H new ATOM 102 N THR A 7 3.823 -1.572 7.642 1.00 0.00 N ATOM 103 CA THR A 7 4.548 -0.574 8.350 1.00 0.00 C ATOM 104 C THR A 7 4.025 0.831 8.214 1.00 0.00 C ATOM 105 O THR A 7 4.480 1.703 8.946 1.00 0.00 O ATOM 106 CB THR A 7 6.015 -0.539 8.056 1.00 0.00 C ATOM 107 OG1 THR A 7 6.257 0.052 6.788 1.00 0.00 O ATOM 108 CG2 THR A 7 6.641 -1.939 8.122 1.00 0.00 C ATOM 0 H THR A 7 4.326 -1.948 6.838 1.00 0.00 H new ATOM 0 HA THR A 7 4.387 -0.907 9.375 1.00 0.00 H new ATOM 0 HB THR A 7 6.488 0.072 8.825 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.221 0.068 6.613 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.707 -1.872 7.903 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.501 -2.353 9.120 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.160 -2.587 7.390 1.00 0.00 H new ATOM 116 N HIS A 8 3.066 1.101 7.300 1.00 0.00 N ATOM 117 CA HIS A 8 2.414 2.388 7.254 1.00 0.00 C ATOM 118 C HIS A 8 1.297 2.422 8.257 1.00 0.00 C ATOM 119 O HIS A 8 1.107 3.419 8.961 1.00 0.00 O ATOM 120 CB HIS A 8 1.887 2.762 5.864 1.00 0.00 C ATOM 121 CG HIS A 8 3.015 2.946 4.888 1.00 0.00 C ATOM 122 ND1 HIS A 8 4.347 2.729 5.025 1.00 0.00 N flip ATOM 123 CD2 HIS A 8 2.807 3.374 3.605 1.00 0.00 C flip ATOM 124 CE1 HIS A 8 4.929 3.029 3.823 1.00 0.00 C flip ATOM 125 NE2 HIS A 8 3.978 3.415 2.984 1.00 0.00 N flip ATOM 0 H HIS A 8 2.742 0.436 6.597 1.00 0.00 H new ATOM 0 HA HIS A 8 3.171 3.132 7.500 1.00 0.00 H new ATOM 0 HB2 HIS A 8 1.215 1.983 5.505 1.00 0.00 H new ATOM 0 HB3 HIS A 8 1.304 3.681 5.928 1.00 0.00 H new ATOM 0 HD2 HIS A 8 1.852 3.634 3.172 1.00 0.00 H new ATOM 0 HE1 HIS A 8 5.983 2.963 3.597 1.00 0.00 H new ATOM 0 HE2 HIS A 8 4.124 3.698 2.015 1.00 0.00 H new ATOM 134 N PHE A 9 0.574 1.285 8.365 1.00 0.00 N ATOM 135 CA PHE A 9 -0.389 1.009 9.410 1.00 0.00 C ATOM 136 C PHE A 9 0.296 1.044 10.751 1.00 0.00 C ATOM 137 O PHE A 9 -0.263 1.527 11.728 1.00 0.00 O ATOM 138 CB PHE A 9 -1.089 -0.357 9.159 1.00 0.00 C ATOM 139 CG PHE A 9 -1.534 -1.126 10.373 1.00 0.00 C ATOM 140 CD1 PHE A 9 -2.523 -0.643 11.214 1.00 0.00 C ATOM 141 CD2 PHE A 9 -1.051 -2.412 10.581 1.00 0.00 C ATOM 142 CE1 PHE A 9 -2.997 -1.420 12.249 1.00 0.00 C ATOM 143 CE2 PHE A 9 -1.554 -3.213 11.593 1.00 0.00 C ATOM 144 CZ PHE A 9 -2.539 -2.702 12.423 1.00 0.00 C ATOM 0 H PHE A 9 0.661 0.520 7.696 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.163 1.777 9.402 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -1.962 -0.181 8.530 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.407 -0.988 8.589 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.925 0.347 11.058 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.269 -2.794 9.942 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.734 -1.017 12.928 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.185 -4.218 11.733 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.949 -3.316 13.211 1.00 0.00 H new ATOM 154 N LEU A 10 1.535 0.540 10.811 1.00 0.00 N ATOM 155 CA LEU A 10 2.367 0.504 11.969 1.00 0.00 C ATOM 156 C LEU A 10 2.944 1.847 12.339 1.00 0.00 C ATOM 157 O LEU A 10 3.168 2.083 13.519 1.00 0.00 O ATOM 158 CB LEU A 10 3.516 -0.468 11.710 1.00 0.00 C ATOM 159 CG LEU A 10 4.065 -1.103 12.972 1.00 0.00 C ATOM 160 CD1 LEU A 10 3.888 -2.615 13.035 1.00 0.00 C ATOM 161 CD2 LEU A 10 5.518 -0.718 13.199 1.00 0.00 C ATOM 0 H LEU A 10 1.988 0.129 9.994 1.00 0.00 H new ATOM 0 HA LEU A 10 1.741 0.187 12.804 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.172 -1.254 11.037 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.321 0.060 11.199 1.00 0.00 H new ATOM 0 HG LEU A 10 3.461 -0.698 13.784 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.307 -2.992 13.968 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.827 -2.859 12.989 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.404 -3.077 12.193 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.881 -1.190 14.112 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.119 -1.053 12.354 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.597 0.365 13.294 1.00 0.00 H new ATOM 173 N THR A 11 3.225 2.766 11.384 1.00 0.00 N ATOM 174 CA THR A 11 3.794 4.038 11.768 1.00 0.00 C ATOM 175 C THR A 11 2.757 4.914 12.378 1.00 0.00 C ATOM 176 O THR A 11 3.044 5.606 13.352 1.00 0.00 O ATOM 177 CB THR A 11 4.509 4.826 10.701 1.00 0.00 C ATOM 178 OG1 THR A 11 3.798 4.789 9.475 1.00 0.00 O ATOM 179 CG2 THR A 11 5.930 4.260 10.518 1.00 0.00 C ATOM 0 H THR A 11 3.067 2.640 10.384 1.00 0.00 H new ATOM 0 HA THR A 11 4.569 3.747 12.477 1.00 0.00 H new ATOM 0 HB THR A 11 4.570 5.868 11.014 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.282 5.309 8.800 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.451 4.827 9.747 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.477 4.338 11.458 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.869 3.213 10.220 1.00 0.00 H new ATOM 187 N GLN A 12 1.534 4.884 11.821 1.00 0.00 N ATOM 188 CA GLN A 12 0.420 5.593 12.380 1.00 0.00 C ATOM 189 C GLN A 12 0.017 5.017 13.689 1.00 0.00 C ATOM 190 O GLN A 12 -0.036 5.743 14.675 1.00 0.00 O ATOM 191 CB GLN A 12 -0.790 5.512 11.445 1.00 0.00 C ATOM 192 CG GLN A 12 -0.814 6.529 10.286 1.00 0.00 C ATOM 193 CD GLN A 12 0.557 6.889 9.691 1.00 0.00 C ATOM 194 OE1 GLN A 12 1.188 7.967 10.247 1.00 0.00 O flip ATOM 195 NE2 GLN A 12 1.020 6.252 8.739 1.00 0.00 N flip ATOM 0 H GLN A 12 1.313 4.363 10.973 1.00 0.00 H new ATOM 0 HA GLN A 12 0.735 6.628 12.512 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.832 4.508 11.023 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.694 5.646 12.039 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.443 6.131 9.490 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.289 7.444 10.639 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.508 5.455 8.362 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.914 6.523 8.330 1.00 0.00 H new ATOM 204 N HIS A 13 -0.307 3.720 13.728 1.00 0.00 N ATOM 205 CA HIS A 13 -0.945 3.165 14.869 1.00 0.00 C ATOM 206 C HIS A 13 0.029 2.655 15.884 1.00 0.00 C ATOM 207 O HIS A 13 -0.125 2.977 17.055 1.00 0.00 O ATOM 208 CB HIS A 13 -1.935 2.088 14.444 1.00 0.00 C ATOM 209 CG HIS A 13 -2.949 2.691 13.511 1.00 0.00 C ATOM 210 ND1 HIS A 13 -4.105 3.257 13.968 1.00 0.00 N ATOM 211 CD2 HIS A 13 -2.935 2.853 12.166 1.00 0.00 C ATOM 212 CE1 HIS A 13 -4.795 3.704 12.928 1.00 0.00 C ATOM 213 NE2 HIS A 13 -4.102 3.476 11.821 1.00 0.00 N ATOM 0 H HIS A 13 -0.128 3.058 12.973 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.495 3.967 15.362 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -1.411 1.269 13.951 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.432 1.668 15.319 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -4.390 3.324 14.945 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -2.149 2.547 11.492 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -5.765 4.177 12.975 1.00 0.00 H new ATOM 222 N TYR A 14 1.045 1.854 15.500 1.00 0.00 N ATOM 223 CA TYR A 14 1.927 1.274 16.485 1.00 0.00 C ATOM 224 C TYR A 14 2.807 2.327 17.091 1.00 0.00 C ATOM 225 O TYR A 14 3.587 2.986 16.404 1.00 0.00 O ATOM 226 CB TYR A 14 2.835 0.187 15.943 1.00 0.00 C ATOM 227 CG TYR A 14 3.531 -0.588 16.991 1.00 0.00 C ATOM 228 CD1 TYR A 14 2.883 -1.272 18.001 1.00 0.00 C ATOM 229 CD2 TYR A 14 4.890 -0.714 16.851 1.00 0.00 C ATOM 230 CE1 TYR A 14 3.619 -1.979 18.932 1.00 0.00 C ATOM 231 CE2 TYR A 14 5.623 -1.439 17.753 1.00 0.00 C ATOM 232 CZ TYR A 14 4.997 -2.032 18.824 1.00 0.00 C ATOM 233 OH TYR A 14 5.781 -2.713 19.773 1.00 0.00 O ATOM 0 H TYR A 14 1.257 1.609 14.533 1.00 0.00 H new ATOM 0 HA TYR A 14 1.261 0.825 17.222 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.244 -0.495 15.332 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.578 0.641 15.287 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.805 -1.254 18.063 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.388 -0.236 16.020 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.120 -2.489 19.742 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.690 -1.545 17.623 1.00 0.00 H new ATOM 0 HH TYR A 14 6.727 -2.641 19.528 1.00 0.00 H new ATOM 243 N ASP A 15 2.677 2.489 18.419 1.00 0.00 N ATOM 244 CA ASP A 15 3.495 3.373 19.178 1.00 0.00 C ATOM 245 C ASP A 15 3.756 2.516 20.363 1.00 0.00 C ATOM 246 O ASP A 15 2.904 2.416 21.238 1.00 0.00 O ATOM 247 CB ASP A 15 2.802 4.685 19.606 1.00 0.00 C ATOM 248 CG ASP A 15 3.766 5.432 20.519 1.00 0.00 C ATOM 249 OD1 ASP A 15 4.878 5.790 20.047 1.00 0.00 O ATOM 250 OD2 ASP A 15 3.399 5.659 21.702 1.00 0.00 O ATOM 0 H ASP A 15 1.984 1.991 18.977 1.00 0.00 H new ATOM 0 HA ASP A 15 4.363 3.730 18.623 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.553 5.290 18.734 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.867 4.474 20.125 1.00 0.00 H new ATOM 255 N ALA A 16 4.932 1.851 20.360 1.00 0.00 N ATOM 256 CA ALA A 16 5.334 0.766 21.232 1.00 0.00 C ATOM 257 C ALA A 16 5.057 0.924 22.693 1.00 0.00 C ATOM 258 O ALA A 16 4.624 -0.027 23.342 1.00 0.00 O ATOM 259 CB ALA A 16 6.823 0.417 21.100 1.00 0.00 C ATOM 0 H ALA A 16 5.667 2.089 19.693 1.00 0.00 H new ATOM 0 HA ALA A 16 4.689 -0.032 20.864 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.066 -0.402 21.777 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.037 0.116 20.074 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.425 1.289 21.355 1.00 0.00 H new ATOM 265 N LYS A 17 5.289 2.128 23.239 1.00 0.00 N ATOM 266 CA LYS A 17 4.822 2.442 24.558 1.00 0.00 C ATOM 267 C LYS A 17 4.802 3.952 24.611 1.00 0.00 C ATOM 268 O LYS A 17 5.807 4.566 24.257 1.00 0.00 O ATOM 269 CB LYS A 17 5.755 1.913 25.681 1.00 0.00 C ATOM 270 CG LYS A 17 5.348 2.262 27.128 1.00 0.00 C ATOM 271 CD LYS A 17 3.985 1.709 27.572 1.00 0.00 C ATOM 272 CE LYS A 17 3.524 2.315 28.900 1.00 0.00 C ATOM 273 NZ LYS A 17 2.142 1.892 29.211 1.00 0.00 N ATOM 0 H LYS A 17 5.796 2.882 22.775 1.00 0.00 H new ATOM 0 HA LYS A 17 3.852 1.975 24.730 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.814 0.828 25.594 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.758 2.302 25.504 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.114 1.885 27.806 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.335 3.347 27.234 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.242 1.916 26.802 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.048 0.625 27.671 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.195 2.003 29.701 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.574 3.403 28.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.039 1.769 30.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.474 2.618 28.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.939 0.991 28.733 1.00 0.00 H new ATOM 287 N PRO A 18 3.716 4.570 25.060 1.00 0.00 N ATOM 288 CA PRO A 18 3.601 6.002 25.137 1.00 0.00 C ATOM 289 C PRO A 18 4.439 6.647 26.198 1.00 0.00 C ATOM 290 O PRO A 18 5.127 5.976 26.967 1.00 0.00 O ATOM 291 CB PRO A 18 2.161 6.207 25.571 1.00 0.00 C ATOM 292 CG PRO A 18 1.396 5.103 24.873 1.00 0.00 C ATOM 293 CD PRO A 18 2.424 3.985 24.770 1.00 0.00 C ATOM 0 HA PRO A 18 3.913 6.436 24.187 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.059 6.138 26.654 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.794 7.191 25.278 1.00 0.00 H new ATOM 0 HG2 PRO A 18 0.521 4.795 25.445 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.041 5.416 23.891 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.196 3.185 25.475 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.415 3.544 23.773 1.00 0.00 H new ATOM 301 N GLN A 19 4.313 7.989 26.249 1.00 0.00 N ATOM 302 CA GLN A 19 4.837 8.833 27.282 1.00 0.00 C ATOM 303 C GLN A 19 4.019 8.579 28.510 1.00 0.00 C ATOM 304 O GLN A 19 4.432 7.854 29.414 1.00 0.00 O ATOM 305 CB GLN A 19 4.727 10.319 26.889 1.00 0.00 C ATOM 306 CG GLN A 19 5.604 10.684 25.686 1.00 0.00 C ATOM 307 CD GLN A 19 5.255 12.114 25.278 1.00 0.00 C ATOM 308 OE1 GLN A 19 5.491 13.071 26.025 1.00 0.00 O ATOM 309 NE2 GLN A 19 4.671 12.241 24.049 1.00 0.00 N ATOM 0 H GLN A 19 3.817 8.513 25.528 1.00 0.00 H new ATOM 0 HA GLN A 19 5.891 8.612 27.449 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.688 10.553 26.659 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.012 10.937 27.741 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.660 10.606 25.944 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.426 9.996 24.860 1.00 0.00 H new ATOM 0 HE21 GLN A 19 4.501 11.414 23.477 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.405 13.163 23.704 1.00 0.00 H new ATOM 318 N GLY A 20 2.812 9.168 28.529 1.00 0.00 N ATOM 319 CA GLY A 20 1.760 8.774 29.419 1.00 0.00 C ATOM 320 C GLY A 20 0.670 8.426 28.483 1.00 0.00 C ATOM 321 O GLY A 20 0.875 8.423 27.275 1.00 0.00 O ATOM 0 H GLY A 20 2.558 9.938 27.911 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.049 7.926 30.040 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.475 9.581 30.094 1.00 0.00 H new ATOM 325 N ARG A 21 -0.524 8.140 29.020 1.00 0.00 N ATOM 326 CA ARG A 21 -1.667 7.860 28.193 1.00 0.00 C ATOM 327 C ARG A 21 -2.662 8.921 28.514 1.00 0.00 C ATOM 328 O ARG A 21 -3.664 8.677 29.184 1.00 0.00 O ATOM 329 CB ARG A 21 -2.248 6.445 28.390 1.00 0.00 C ATOM 330 CG ARG A 21 -1.300 5.373 27.822 1.00 0.00 C ATOM 331 CD ARG A 21 -1.904 3.967 27.731 1.00 0.00 C ATOM 332 NE ARG A 21 -1.918 3.374 29.097 1.00 0.00 N ATOM 333 CZ ARG A 21 -2.885 2.500 29.505 1.00 0.00 C ATOM 334 NH1 ARG A 21 -3.899 2.139 28.670 1.00 0.00 N ATOM 335 NH2 ARG A 21 -2.823 1.964 30.760 1.00 0.00 N ATOM 0 H ARG A 21 -0.706 8.101 30.023 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.381 7.872 27.141 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.415 6.262 29.451 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.218 6.375 27.898 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.980 5.681 26.827 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.407 5.330 28.445 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.915 4.014 27.327 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.319 3.346 27.053 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.179 3.630 29.752 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.943 2.523 27.726 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.614 1.485 28.989 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.058 2.217 31.385 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.542 1.311 31.072 1.00 0.00 H new ATOM 349 N ASP A 22 -2.361 10.150 28.039 1.00 0.00 N ATOM 350 CA ASP A 22 -3.099 11.322 28.409 1.00 0.00 C ATOM 351 C ASP A 22 -3.179 12.224 27.217 1.00 0.00 C ATOM 352 O ASP A 22 -2.655 11.900 26.151 1.00 0.00 O ATOM 353 CB ASP A 22 -2.482 12.081 29.608 1.00 0.00 C ATOM 354 CG ASP A 22 -1.115 12.681 29.278 1.00 0.00 C ATOM 355 OD1 ASP A 22 -0.167 11.916 28.959 1.00 0.00 O ATOM 356 OD2 ASP A 22 -1.000 13.933 29.370 1.00 0.00 O ATOM 0 H ASP A 22 -1.595 10.330 27.390 1.00 0.00 H new ATOM 0 HA ASP A 22 -4.091 11.004 28.731 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.159 12.877 29.918 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.382 11.400 30.453 1.00 0.00 H new ATOM 361 N ASP A 23 -3.858 13.380 27.412 1.00 0.00 N ATOM 362 CA ASP A 23 -4.157 14.408 26.443 1.00 0.00 C ATOM 363 C ASP A 23 -2.936 14.939 25.761 1.00 0.00 C ATOM 364 O ASP A 23 -2.943 15.159 24.551 1.00 0.00 O ATOM 365 CB ASP A 23 -4.880 15.587 27.138 1.00 0.00 C ATOM 366 CG ASP A 23 -5.008 16.819 26.245 1.00 0.00 C ATOM 367 OD1 ASP A 23 -5.728 16.751 25.216 1.00 0.00 O ATOM 368 OD2 ASP A 23 -4.403 17.864 26.609 1.00 0.00 O ATOM 0 H ASP A 23 -4.231 13.616 28.332 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.791 13.947 25.686 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.874 15.265 27.447 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.336 15.856 28.043 1.00 0.00 H new ATOM 373 N ARG A 24 -1.858 15.151 26.538 1.00 0.00 N ATOM 374 CA ARG A 24 -0.643 15.733 26.047 1.00 0.00 C ATOM 375 C ARG A 24 0.194 14.737 25.307 1.00 0.00 C ATOM 376 O ARG A 24 1.034 15.137 24.503 1.00 0.00 O ATOM 377 CB ARG A 24 0.242 16.324 27.158 1.00 0.00 C ATOM 378 CG ARG A 24 -0.469 17.416 27.971 1.00 0.00 C ATOM 379 CD ARG A 24 0.400 18.000 29.087 1.00 0.00 C ATOM 380 NE ARG A 24 1.584 18.658 28.463 1.00 0.00 N ATOM 381 CZ ARG A 24 2.566 19.208 29.235 1.00 0.00 C ATOM 382 NH1 ARG A 24 2.474 19.174 30.596 1.00 0.00 N ATOM 383 NH2 ARG A 24 3.647 19.794 28.642 1.00 0.00 N ATOM 0 H ARG A 24 -1.828 14.913 27.529 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.977 16.532 25.384 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.556 15.525 27.829 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.146 16.740 26.713 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.774 18.219 27.300 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.378 17.001 28.407 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.169 18.721 29.674 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.719 17.213 29.771 1.00 0.00 H new ATOM 0 HE ARG A 24 1.661 18.697 27.447 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.668 18.736 31.042 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.211 19.587 31.167 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.719 19.820 27.625 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.383 20.206 29.216 1.00 0.00 H new ATOM 397 N TYR A 25 -0.019 13.419 25.550 1.00 0.00 N ATOM 398 CA TYR A 25 0.691 12.395 24.833 1.00 0.00 C ATOM 399 C TYR A 25 0.093 12.318 23.472 1.00 0.00 C ATOM 400 O TYR A 25 0.831 12.176 22.501 1.00 0.00 O ATOM 401 CB TYR A 25 0.630 10.999 25.499 1.00 0.00 C ATOM 402 CG TYR A 25 0.661 9.874 24.499 1.00 0.00 C ATOM 403 CD1 TYR A 25 1.807 9.523 23.796 1.00 0.00 C ATOM 404 CD2 TYR A 25 -0.503 9.153 24.275 1.00 0.00 C ATOM 405 CE1 TYR A 25 1.759 8.535 22.832 1.00 0.00 C ATOM 406 CE2 TYR A 25 -0.547 8.165 23.316 1.00 0.00 C ATOM 407 CZ TYR A 25 0.579 7.863 22.586 1.00 0.00 C ATOM 408 OH TYR A 25 0.521 6.858 21.599 1.00 0.00 O ATOM 0 H TYR A 25 -0.681 13.067 26.241 1.00 0.00 H new ATOM 0 HA TYR A 25 1.746 12.667 24.816 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.470 10.892 26.186 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.280 10.925 26.094 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.740 10.025 24.004 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.385 9.369 24.859 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.647 8.288 22.269 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.466 7.627 23.137 1.00 0.00 H new ATOM 0 HH TYR A 25 1.388 6.406 21.541 1.00 0.00 H new ATOM 418 N CYS A 26 -1.253 12.394 23.387 1.00 0.00 N ATOM 419 CA CYS A 26 -1.967 12.246 22.154 1.00 0.00 C ATOM 420 C CYS A 26 -1.723 13.385 21.223 1.00 0.00 C ATOM 421 O CYS A 26 -1.632 13.184 20.013 1.00 0.00 O ATOM 422 CB CYS A 26 -3.479 12.184 22.336 1.00 0.00 C ATOM 423 SG CYS A 26 -4.072 10.563 22.864 1.00 0.00 S ATOM 0 H CYS A 26 -1.855 12.562 24.193 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.592 11.306 21.749 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.780 12.930 23.072 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.962 12.451 21.396 1.00 0.00 H new ATOM 428 N GLU A 27 -1.612 14.605 21.779 1.00 0.00 N ATOM 429 CA GLU A 27 -1.333 15.773 20.995 1.00 0.00 C ATOM 430 C GLU A 27 0.080 15.762 20.511 1.00 0.00 C ATOM 431 O GLU A 27 0.324 16.173 19.380 1.00 0.00 O ATOM 432 CB GLU A 27 -1.574 17.102 21.725 1.00 0.00 C ATOM 433 CG GLU A 27 -3.064 17.386 21.934 1.00 0.00 C ATOM 434 CD GLU A 27 -3.210 18.753 22.580 1.00 0.00 C ATOM 435 OE1 GLU A 27 -2.818 19.761 21.935 1.00 0.00 O ATOM 436 OE2 GLU A 27 -3.723 18.811 23.729 1.00 0.00 O ATOM 0 H GLU A 27 -1.716 14.785 22.778 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.039 15.721 20.166 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.071 17.080 22.692 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.128 17.915 21.152 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.592 17.360 20.981 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.510 16.619 22.567 1.00 0.00 H new ATOM 443 N SER A 28 1.041 15.291 21.342 1.00 0.00 N ATOM 444 CA SER A 28 2.420 15.239 20.959 1.00 0.00 C ATOM 445 C SER A 28 2.719 14.179 19.945 1.00 0.00 C ATOM 446 O SER A 28 3.645 14.356 19.156 1.00 0.00 O ATOM 447 CB SER A 28 3.351 14.988 22.149 1.00 0.00 C ATOM 448 OG SER A 28 3.384 16.126 22.996 1.00 0.00 O ATOM 0 H SER A 28 0.855 14.946 22.284 1.00 0.00 H new ATOM 0 HA SER A 28 2.603 16.223 20.527 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.009 14.118 22.710 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.356 14.762 21.792 1.00 0.00 H new ATOM 0 HG SER A 28 2.657 16.068 23.651 1.00 0.00 H new ATOM 454 N ILE A 29 1.953 13.064 19.941 1.00 0.00 N ATOM 455 CA ILE A 29 2.186 12.003 18.999 1.00 0.00 C ATOM 456 C ILE A 29 1.549 12.336 17.693 1.00 0.00 C ATOM 457 O ILE A 29 2.053 11.936 16.651 1.00 0.00 O ATOM 458 CB ILE A 29 1.873 10.580 19.452 1.00 0.00 C ATOM 459 CG1 ILE A 29 2.420 9.569 18.423 1.00 0.00 C ATOM 460 CG2 ILE A 29 0.376 10.330 19.717 1.00 0.00 C ATOM 461 CD1 ILE A 29 2.658 8.184 18.998 1.00 0.00 C ATOM 0 H ILE A 29 1.179 12.898 20.584 1.00 0.00 H new ATOM 0 HA ILE A 29 3.270 11.964 18.895 1.00 0.00 H new ATOM 0 HB ILE A 29 2.372 10.441 20.411 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.718 9.493 17.593 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.356 9.949 18.015 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.230 9.298 20.035 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.028 11.004 20.500 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.190 10.512 18.804 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.042 7.527 18.218 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.383 8.247 19.809 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.720 7.783 19.381 1.00 0.00 H new ATOM 473 N MET A 30 0.445 13.104 17.695 1.00 0.00 N ATOM 474 CA MET A 30 -0.142 13.496 16.448 1.00 0.00 C ATOM 475 C MET A 30 0.621 14.608 15.795 1.00 0.00 C ATOM 476 O MET A 30 0.567 14.749 14.578 1.00 0.00 O ATOM 477 CB MET A 30 -1.593 13.955 16.559 1.00 0.00 C ATOM 478 CG MET A 30 -2.593 12.855 16.179 1.00 0.00 C ATOM 479 SD MET A 30 -3.355 11.983 17.570 1.00 0.00 S ATOM 480 CE MET A 30 -4.606 11.221 16.496 1.00 0.00 C ATOM 0 H MET A 30 -0.030 13.446 18.530 1.00 0.00 H new ATOM 0 HA MET A 30 -0.104 12.587 15.848 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.789 14.282 17.580 1.00 0.00 H new ATOM 0 HB3 MET A 30 -1.747 14.819 15.913 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.383 13.299 15.574 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.083 12.125 15.550 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.411 10.813 17.108 1.00 0.00 H new ATOM 0 HE2 MET A 30 -5.011 11.973 15.819 1.00 0.00 H new ATOM 0 HE3 MET A 30 -4.148 10.419 15.916 1.00 0.00 H new ATOM 490 N ARG A 31 1.347 15.429 16.577 1.00 0.00 N ATOM 491 CA ARG A 31 2.221 16.432 16.026 1.00 0.00 C ATOM 492 C ARG A 31 3.485 15.816 15.495 1.00 0.00 C ATOM 493 O ARG A 31 4.042 16.318 14.519 1.00 0.00 O ATOM 494 CB ARG A 31 2.623 17.516 17.043 1.00 0.00 C ATOM 495 CG ARG A 31 1.495 18.529 17.288 1.00 0.00 C ATOM 496 CD ARG A 31 1.816 19.577 18.357 1.00 0.00 C ATOM 497 NE ARG A 31 1.904 18.883 19.675 1.00 0.00 N ATOM 498 CZ ARG A 31 1.877 19.584 20.846 1.00 0.00 C ATOM 499 NH1 ARG A 31 1.833 20.948 20.836 1.00 0.00 N ATOM 500 NH2 ARG A 31 1.893 18.914 22.035 1.00 0.00 N ATOM 0 H ARG A 31 1.332 15.401 17.597 1.00 0.00 H new ATOM 0 HA ARG A 31 1.647 16.899 15.226 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.896 17.043 17.987 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.508 18.040 16.682 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.269 19.039 16.351 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.595 17.990 17.582 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.756 20.079 18.128 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.042 20.345 18.382 1.00 0.00 H new ATOM 0 HE ARG A 31 1.986 17.867 19.701 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.820 21.451 19.949 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.813 21.464 21.716 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.925 17.895 22.046 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.873 19.433 22.913 1.00 0.00 H new ATOM 514 N ARG A 32 3.970 14.727 16.135 1.00 0.00 N ATOM 515 CA ARG A 32 5.193 14.069 15.753 1.00 0.00 C ATOM 516 C ARG A 32 4.996 13.259 14.505 1.00 0.00 C ATOM 517 O ARG A 32 5.798 13.352 13.576 1.00 0.00 O ATOM 518 CB ARG A 32 5.725 13.144 16.869 1.00 0.00 C ATOM 519 CG ARG A 32 7.057 12.448 16.556 1.00 0.00 C ATOM 520 CD ARG A 32 7.630 11.722 17.774 1.00 0.00 C ATOM 521 NE ARG A 32 8.801 10.924 17.309 1.00 0.00 N ATOM 522 CZ ARG A 32 9.339 9.943 18.092 1.00 0.00 C ATOM 523 NH1 ARG A 32 8.835 9.698 19.336 1.00 0.00 N ATOM 524 NH2 ARG A 32 10.384 9.201 17.623 1.00 0.00 N ATOM 0 H ARG A 32 3.504 14.295 16.933 1.00 0.00 H new ATOM 0 HA ARG A 32 5.926 14.855 15.573 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.844 13.731 17.780 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.974 12.382 17.077 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.910 11.734 15.746 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.777 13.187 16.204 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.932 12.437 18.539 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.878 11.073 18.223 1.00 0.00 H new ATOM 0 HE ARG A 32 9.206 11.114 16.392 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.052 10.249 19.686 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.242 8.964 19.915 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.759 9.380 16.692 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.790 8.467 18.204 1.00 0.00 H new ATOM 538 N ARG A 33 3.926 12.432 14.473 1.00 0.00 N ATOM 539 CA ARG A 33 3.658 11.520 13.393 1.00 0.00 C ATOM 540 C ARG A 33 3.060 12.248 12.226 1.00 0.00 C ATOM 541 O ARG A 33 3.224 11.826 11.082 1.00 0.00 O ATOM 542 CB ARG A 33 2.696 10.390 13.820 1.00 0.00 C ATOM 543 CG ARG A 33 3.155 8.962 13.484 1.00 0.00 C ATOM 544 CD ARG A 33 4.517 8.551 14.072 1.00 0.00 C ATOM 545 NE ARG A 33 4.546 8.750 15.548 1.00 0.00 N ATOM 546 CZ ARG A 33 5.700 8.494 16.234 1.00 0.00 C ATOM 547 NH1 ARG A 33 6.830 8.122 15.563 1.00 0.00 N ATOM 548 NH2 ARG A 33 5.734 8.607 17.593 1.00 0.00 N ATOM 0 H ARG A 33 3.229 12.397 15.217 1.00 0.00 H new ATOM 0 HA ARG A 33 4.612 11.077 13.108 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.540 10.458 14.897 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.729 10.562 13.346 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.399 8.262 13.840 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.200 8.859 12.400 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.716 7.505 13.839 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.309 9.138 13.607 1.00 0.00 H new ATOM 0 HE ARG A 33 3.714 9.074 16.041 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.814 8.035 14.547 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.690 7.932 16.078 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.895 8.884 18.103 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.598 8.415 18.099 1.00 0.00 H new ATOM 562 N GLY A 34 2.375 13.377 12.502 1.00 0.00 N ATOM 563 CA GLY A 34 1.943 14.293 11.483 1.00 0.00 C ATOM 564 C GLY A 34 0.583 13.919 11.003 1.00 0.00 C ATOM 565 O GLY A 34 0.374 13.735 9.804 1.00 0.00 O ATOM 0 H GLY A 34 2.116 13.659 13.447 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.931 15.309 11.877 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.647 14.282 10.651 1.00 0.00 H new ATOM 569 N LEU A 35 -0.379 13.820 11.948 1.00 0.00 N ATOM 570 CA LEU A 35 -1.757 13.574 11.634 1.00 0.00 C ATOM 571 C LEU A 35 -2.535 14.776 12.070 1.00 0.00 C ATOM 572 O LEU A 35 -3.762 14.733 12.154 1.00 0.00 O ATOM 573 CB LEU A 35 -2.406 12.421 12.416 1.00 0.00 C ATOM 574 CG LEU A 35 -1.637 11.079 12.479 1.00 0.00 C ATOM 575 CD1 LEU A 35 -2.463 10.014 13.224 1.00 0.00 C ATOM 576 CD2 LEU A 35 -1.251 10.558 11.086 1.00 0.00 C ATOM 0 H LEU A 35 -0.194 13.913 12.947 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.776 13.340 10.570 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.575 12.761 13.438 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.386 12.227 11.979 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.714 11.272 13.026 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.905 9.078 13.257 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.663 10.354 14.240 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.407 9.855 12.702 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.714 9.615 11.186 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.152 10.401 10.494 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.612 11.288 10.589 1.00 0.00 H new ATOM 588 N THR A 36 -1.821 15.886 12.363 1.00 0.00 N ATOM 589 CA THR A 36 -2.428 17.122 12.786 1.00 0.00 C ATOM 590 C THR A 36 -2.854 17.912 11.593 1.00 0.00 C ATOM 591 O THR A 36 -3.592 18.886 11.731 1.00 0.00 O ATOM 592 CB THR A 36 -1.498 18.028 13.550 1.00 0.00 C ATOM 593 OG1 THR A 36 -0.166 17.854 13.088 1.00 0.00 O ATOM 594 CG2 THR A 36 -1.589 17.720 15.051 1.00 0.00 C ATOM 0 H THR A 36 -0.803 15.927 12.305 1.00 0.00 H new ATOM 0 HA THR A 36 -3.255 16.823 13.429 1.00 0.00 H new ATOM 0 HB THR A 36 -1.791 19.065 13.387 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.434 18.447 13.587 1.00 0.00 H new ATOM 0 HG21 THR A 36 -0.914 18.378 15.599 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.611 17.881 15.394 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.306 16.682 15.227 1.00 0.00 H new ATOM 602 N SER A 37 -2.395 17.517 10.392 1.00 0.00 N ATOM 603 CA SER A 37 -2.623 18.263 9.198 1.00 0.00 C ATOM 604 C SER A 37 -3.357 17.402 8.213 1.00 0.00 C ATOM 605 O SER A 37 -2.707 16.578 7.572 1.00 0.00 O ATOM 606 CB SER A 37 -1.276 18.609 8.559 1.00 0.00 C ATOM 607 OG SER A 37 -0.627 19.631 9.302 1.00 0.00 O ATOM 0 H SER A 37 -1.856 16.663 10.250 1.00 0.00 H new ATOM 0 HA SER A 37 -3.191 19.161 9.442 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.645 17.721 8.521 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.427 18.937 7.531 1.00 0.00 H new ATOM 0 HG SER A 37 0.234 19.842 8.885 1.00 0.00 H new ATOM 613 N PRO A 38 -4.662 17.526 7.992 1.00 0.00 N ATOM 614 CA PRO A 38 -5.663 18.102 8.861 1.00 0.00 C ATOM 615 C PRO A 38 -5.929 17.100 9.953 1.00 0.00 C ATOM 616 O PRO A 38 -5.476 15.959 9.834 1.00 0.00 O ATOM 617 CB PRO A 38 -6.891 18.235 7.958 1.00 0.00 C ATOM 618 CG PRO A 38 -6.746 17.105 6.935 1.00 0.00 C ATOM 619 CD PRO A 38 -5.232 16.966 6.781 1.00 0.00 C ATOM 0 HA PRO A 38 -5.384 19.053 9.315 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.815 18.136 8.529 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.920 19.209 7.470 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.201 16.180 7.289 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.226 17.354 5.989 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.945 15.922 6.660 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.878 17.499 5.899 1.00 0.00 H new ATOM 627 N CYS A 39 -6.647 17.522 11.028 1.00 0.00 N ATOM 628 CA CYS A 39 -6.907 16.717 12.175 1.00 0.00 C ATOM 629 C CYS A 39 -7.648 15.473 11.809 1.00 0.00 C ATOM 630 O CYS A 39 -8.740 15.517 11.241 1.00 0.00 O ATOM 631 CB CYS A 39 -7.787 17.430 13.217 1.00 0.00 C ATOM 632 SG CYS A 39 -7.189 19.070 13.729 1.00 0.00 S ATOM 0 H CYS A 39 -7.054 18.455 11.089 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.923 16.500 12.589 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.793 17.536 12.810 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.866 16.796 14.100 1.00 0.00 H new ATOM 637 N LYS A 40 -7.021 14.331 12.159 1.00 0.00 N ATOM 638 CA LYS A 40 -7.586 13.023 12.046 1.00 0.00 C ATOM 639 C LYS A 40 -8.612 12.958 13.128 1.00 0.00 C ATOM 640 O LYS A 40 -8.413 13.518 14.202 1.00 0.00 O ATOM 641 CB LYS A 40 -6.508 11.939 12.276 1.00 0.00 C ATOM 642 CG LYS A 40 -6.954 10.478 12.095 1.00 0.00 C ATOM 643 CD LYS A 40 -7.403 10.127 10.669 1.00 0.00 C ATOM 644 CE LYS A 40 -7.907 8.685 10.533 1.00 0.00 C ATOM 645 NZ LYS A 40 -6.846 7.720 10.891 1.00 0.00 N ATOM 0 H LYS A 40 -6.074 14.323 12.539 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.007 12.846 11.056 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.681 12.130 11.593 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.119 12.054 13.288 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.131 9.821 12.376 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.774 10.273 12.783 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.194 10.812 10.365 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.569 10.280 9.984 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.773 8.536 11.178 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.237 8.506 9.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.156 6.757 10.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.978 7.948 10.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.657 7.775 11.912 1.00 0.00 H new ATOM 659 N ASP A 41 -9.750 12.289 12.855 1.00 0.00 N ATOM 660 CA ASP A 41 -10.845 12.275 13.778 1.00 0.00 C ATOM 661 C ASP A 41 -10.609 11.274 14.857 1.00 0.00 C ATOM 662 O ASP A 41 -10.986 11.511 16.002 1.00 0.00 O ATOM 663 CB ASP A 41 -12.184 11.931 13.113 1.00 0.00 C ATOM 664 CG ASP A 41 -12.441 12.966 12.029 1.00 0.00 C ATOM 665 OD1 ASP A 41 -12.547 14.173 12.373 1.00 0.00 O ATOM 666 OD2 ASP A 41 -12.533 12.564 10.838 1.00 0.00 O ATOM 0 H ASP A 41 -9.911 11.760 11.998 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.902 13.286 14.182 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.152 10.929 12.685 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.989 11.939 13.848 1.00 0.00 H new ATOM 671 N ILE A 42 -10.005 10.118 14.516 1.00 0.00 N ATOM 672 CA ILE A 42 -9.827 9.079 15.485 1.00 0.00 C ATOM 673 C ILE A 42 -8.664 8.260 15.010 1.00 0.00 C ATOM 674 O ILE A 42 -8.607 7.860 13.848 1.00 0.00 O ATOM 675 CB ILE A 42 -11.112 8.277 15.711 1.00 0.00 C ATOM 676 CG1 ILE A 42 -11.031 7.291 16.901 1.00 0.00 C ATOM 677 CG2 ILE A 42 -11.654 7.656 14.404 1.00 0.00 C ATOM 678 CD1 ILE A 42 -10.616 5.860 16.557 1.00 0.00 C ATOM 0 H ILE A 42 -9.646 9.905 13.585 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.607 9.481 16.474 1.00 0.00 H new ATOM 0 HB ILE A 42 -11.868 8.997 16.025 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -10.324 7.688 17.629 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -12.006 7.259 17.388 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -12.566 7.098 14.617 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -11.873 8.448 13.688 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -10.907 6.983 13.983 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.593 5.259 17.466 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -11.333 5.431 15.857 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.625 5.868 16.102 1.00 0.00 H new ATOM 690 N ASN A 43 -7.695 7.998 15.915 1.00 0.00 N ATOM 691 CA ASN A 43 -6.582 7.153 15.580 1.00 0.00 C ATOM 692 C ASN A 43 -6.265 6.380 16.813 1.00 0.00 C ATOM 693 O ASN A 43 -5.971 6.958 17.858 1.00 0.00 O ATOM 694 CB ASN A 43 -5.320 7.926 15.151 1.00 0.00 C ATOM 695 CG ASN A 43 -4.297 6.976 14.522 1.00 0.00 C ATOM 696 OD1 ASN A 43 -4.412 6.827 13.166 1.00 0.00 O flip ATOM 697 ND2 ASN A 43 -3.424 6.410 15.192 1.00 0.00 N flip ATOM 0 H ASN A 43 -7.681 8.366 16.866 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.862 6.532 14.729 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.589 8.705 14.437 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.880 8.423 16.015 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.382 6.555 16.201 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.747 5.799 14.735 1.00 0.00 H new ATOM 704 N THR A 44 -6.319 5.038 16.700 1.00 0.00 N ATOM 705 CA THR A 44 -6.059 4.164 17.806 1.00 0.00 C ATOM 706 C THR A 44 -4.610 3.808 17.785 1.00 0.00 C ATOM 707 O THR A 44 -4.180 2.999 16.966 1.00 0.00 O ATOM 708 CB THR A 44 -6.889 2.911 17.726 1.00 0.00 C ATOM 709 OG1 THR A 44 -8.247 3.292 17.597 1.00 0.00 O ATOM 710 CG2 THR A 44 -6.725 2.062 18.999 1.00 0.00 C ATOM 0 H THR A 44 -6.546 4.554 15.831 1.00 0.00 H new ATOM 0 HA THR A 44 -6.322 4.674 18.733 1.00 0.00 H new ATOM 0 HB THR A 44 -6.564 2.316 16.872 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.822 2.516 17.766 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.335 1.162 18.917 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.678 1.782 19.117 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.046 2.640 19.866 1.00 0.00 H new ATOM 718 N PHE A 45 -3.829 4.400 18.714 1.00 0.00 N ATOM 719 CA PHE A 45 -2.438 4.078 18.824 1.00 0.00 C ATOM 720 C PHE A 45 -2.329 2.862 19.694 1.00 0.00 C ATOM 721 O PHE A 45 -2.682 2.902 20.869 1.00 0.00 O ATOM 722 CB PHE A 45 -1.533 5.180 19.418 1.00 0.00 C ATOM 723 CG PHE A 45 -1.472 6.372 18.508 1.00 0.00 C ATOM 724 CD1 PHE A 45 -2.489 7.306 18.553 1.00 0.00 C ATOM 725 CD2 PHE A 45 -0.403 6.598 17.647 1.00 0.00 C ATOM 726 CE1 PHE A 45 -2.474 8.405 17.721 1.00 0.00 C ATOM 727 CE2 PHE A 45 -0.373 7.722 16.845 1.00 0.00 C ATOM 728 CZ PHE A 45 -1.419 8.614 16.856 1.00 0.00 C ATOM 0 H PHE A 45 -4.159 5.096 19.383 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.079 3.932 17.805 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.914 5.482 20.394 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.529 4.786 19.575 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.305 7.174 19.248 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.410 5.889 17.605 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.294 9.108 17.746 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.478 7.901 16.205 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.415 9.468 16.195 1.00 0.00 H new ATOM 738 N ILE A 46 -1.830 1.749 19.113 1.00 0.00 N ATOM 739 CA ILE A 46 -1.680 0.490 19.790 1.00 0.00 C ATOM 740 C ILE A 46 -0.293 0.481 20.322 1.00 0.00 C ATOM 741 O ILE A 46 0.607 1.095 19.766 1.00 0.00 O ATOM 742 CB ILE A 46 -1.830 -0.698 18.860 1.00 0.00 C ATOM 743 CG1 ILE A 46 -3.162 -0.577 18.087 1.00 0.00 C ATOM 744 CG2 ILE A 46 -1.681 -2.035 19.623 1.00 0.00 C ATOM 745 CD1 ILE A 46 -3.409 -1.746 17.139 1.00 0.00 C ATOM 0 H ILE A 46 -1.521 1.724 18.141 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.450 0.399 20.556 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.023 -0.695 18.127 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.985 -0.514 18.799 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.162 0.352 17.517 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.794 -2.866 18.927 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.696 -2.082 20.087 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.448 -2.101 20.394 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.360 -1.603 16.625 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.604 -1.796 16.406 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.440 -2.675 17.708 1.00 0.00 H new ATOM 757 N HIS A 47 -0.117 -0.230 21.442 1.00 0.00 N ATOM 758 CA HIS A 47 1.108 -0.313 22.188 1.00 0.00 C ATOM 759 C HIS A 47 1.255 -1.708 22.684 1.00 0.00 C ATOM 760 O HIS A 47 0.313 -2.296 23.222 1.00 0.00 O ATOM 761 CB HIS A 47 1.160 0.537 23.463 1.00 0.00 C ATOM 762 CG HIS A 47 0.258 1.716 23.441 1.00 0.00 C ATOM 763 ND1 HIS A 47 0.396 2.751 22.550 1.00 0.00 N ATOM 764 CD2 HIS A 47 -0.763 2.063 24.265 1.00 0.00 C ATOM 765 CE1 HIS A 47 -0.527 3.674 22.875 1.00 0.00 C ATOM 766 NE2 HIS A 47 -1.259 3.304 23.908 1.00 0.00 N ATOM 0 H HIS A 47 -0.868 -0.781 21.857 1.00 0.00 H new ATOM 0 HA HIS A 47 1.877 0.035 21.498 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.900 -0.090 24.316 1.00 0.00 H new ATOM 0 HB3 HIS A 47 2.183 0.878 23.618 1.00 0.00 H new ATOM 0 HD1 HIS A 47 1.070 2.809 21.787 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.134 1.459 25.080 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.654 4.610 22.351 1.00 0.00 H new ATOM 774 N GLY A 48 2.477 -2.253 22.561 1.00 0.00 N ATOM 775 CA GLY A 48 2.735 -3.537 23.129 1.00 0.00 C ATOM 776 C GLY A 48 3.969 -4.057 22.491 1.00 0.00 C ATOM 777 O GLY A 48 5.079 -3.635 22.811 1.00 0.00 O ATOM 0 H GLY A 48 3.266 -1.819 22.082 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.862 -3.462 24.209 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.897 -4.211 22.953 1.00 0.00 H new ATOM 781 N ASN A 49 3.776 -5.016 21.570 1.00 0.00 N ATOM 782 CA ASN A 49 4.853 -5.714 20.941 1.00 0.00 C ATOM 783 C ASN A 49 4.318 -6.004 19.575 1.00 0.00 C ATOM 784 O ASN A 49 3.224 -6.546 19.426 1.00 0.00 O ATOM 785 CB ASN A 49 5.219 -6.981 21.750 1.00 0.00 C ATOM 786 CG ASN A 49 6.097 -7.972 20.984 1.00 0.00 C ATOM 787 OD1 ASN A 49 5.701 -9.129 20.806 1.00 0.00 O ATOM 788 ND2 ASN A 49 7.319 -7.524 20.570 1.00 0.00 N ATOM 0 H ASN A 49 2.852 -5.313 21.255 1.00 0.00 H new ATOM 0 HA ASN A 49 5.787 -5.154 20.888 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.736 -6.682 22.662 1.00 0.00 H new ATOM 0 HB3 ASN A 49 4.301 -7.484 22.055 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.957 -8.156 20.087 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.594 -6.557 20.744 1.00 0.00 H new ATOM 795 N LYS A 50 5.082 -5.618 18.526 1.00 0.00 N ATOM 796 CA LYS A 50 4.608 -5.705 17.170 1.00 0.00 C ATOM 797 C LYS A 50 4.862 -7.062 16.582 1.00 0.00 C ATOM 798 O LYS A 50 4.446 -7.345 15.459 1.00 0.00 O ATOM 799 CB LYS A 50 5.204 -4.662 16.207 1.00 0.00 C ATOM 800 CG LYS A 50 6.725 -4.487 16.315 1.00 0.00 C ATOM 801 CD LYS A 50 7.289 -3.643 15.166 1.00 0.00 C ATOM 802 CE LYS A 50 8.788 -3.361 15.292 1.00 0.00 C ATOM 803 NZ LYS A 50 9.564 -4.619 15.243 1.00 0.00 N ATOM 0 H LYS A 50 6.027 -5.246 18.618 1.00 0.00 H new ATOM 0 HA LYS A 50 3.540 -5.504 17.260 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.956 -4.948 15.185 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.727 -3.700 16.394 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.969 -4.014 17.266 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.204 -5.466 16.314 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.102 -4.157 14.223 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.752 -2.696 15.124 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.107 -2.700 14.487 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.988 -2.841 16.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.581 -4.400 15.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.334 -5.201 16.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.324 -5.141 14.376 1.00 0.00 H new ATOM 817 N ARG A 51 5.543 -7.938 17.348 1.00 0.00 N ATOM 818 CA ARG A 51 5.740 -9.309 16.997 1.00 0.00 C ATOM 819 C ARG A 51 4.491 -10.053 17.364 1.00 0.00 C ATOM 820 O ARG A 51 4.140 -11.028 16.702 1.00 0.00 O ATOM 821 CB ARG A 51 7.040 -9.856 17.641 1.00 0.00 C ATOM 822 CG ARG A 51 7.184 -11.372 17.845 1.00 0.00 C ATOM 823 CD ARG A 51 6.780 -11.810 19.259 1.00 0.00 C ATOM 824 NE ARG A 51 7.033 -13.272 19.387 1.00 0.00 N ATOM 825 CZ ARG A 51 6.594 -13.957 20.485 1.00 0.00 C ATOM 826 NH1 ARG A 51 5.930 -13.306 21.484 1.00 0.00 N ATOM 827 NH2 ARG A 51 6.823 -15.299 20.582 1.00 0.00 N ATOM 0 H ARG A 51 5.969 -7.682 18.239 1.00 0.00 H new ATOM 0 HA ARG A 51 5.897 -9.440 15.926 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.877 -9.525 17.027 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.151 -9.380 18.615 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.567 -11.895 17.115 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.217 -11.665 17.657 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.353 -11.259 20.005 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.728 -11.590 19.438 1.00 0.00 H new ATOM 0 HE ARG A 51 7.537 -13.765 18.650 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.759 -12.303 21.413 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.605 -13.823 22.301 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.320 -15.787 19.837 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.497 -15.814 21.400 1.00 0.00 H new ATOM 841 N SER A 52 3.782 -9.592 18.417 1.00 0.00 N ATOM 842 CA SER A 52 2.535 -10.152 18.812 1.00 0.00 C ATOM 843 C SER A 52 1.402 -9.551 18.048 1.00 0.00 C ATOM 844 O SER A 52 0.378 -10.217 17.928 1.00 0.00 O ATOM 845 CB SER A 52 2.286 -10.145 20.324 1.00 0.00 C ATOM 846 OG SER A 52 2.544 -8.884 20.902 1.00 0.00 O ATOM 0 H SER A 52 4.088 -8.814 19.001 1.00 0.00 H new ATOM 0 HA SER A 52 2.594 -11.209 18.552 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.252 -10.428 20.521 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.918 -10.896 20.798 1.00 0.00 H new ATOM 0 HG SER A 52 2.631 -8.211 20.195 1.00 0.00 H new ATOM 852 N ILE A 53 1.558 -8.317 17.494 1.00 0.00 N ATOM 853 CA ILE A 53 0.629 -7.770 16.518 1.00 0.00 C ATOM 854 C ILE A 53 0.593 -8.676 15.330 1.00 0.00 C ATOM 855 O ILE A 53 -0.479 -9.120 14.927 1.00 0.00 O ATOM 856 CB ILE A 53 0.981 -6.366 16.022 1.00 0.00 C ATOM 857 CG1 ILE A 53 0.861 -5.337 17.164 1.00 0.00 C ATOM 858 CG2 ILE A 53 0.119 -5.937 14.809 1.00 0.00 C ATOM 859 CD1 ILE A 53 -0.580 -5.031 17.551 1.00 0.00 C ATOM 0 H ILE A 53 2.332 -7.693 17.722 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.332 -7.696 17.027 1.00 0.00 H new ATOM 0 HB ILE A 53 2.017 -6.398 15.685 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.393 -5.712 18.039 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.353 -4.412 16.863 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.407 -4.934 14.495 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.276 -6.634 13.986 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.934 -5.940 15.091 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.592 -4.300 18.360 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.110 -4.627 16.689 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.070 -5.947 17.882 1.00 0.00 H new ATOM 871 N LYS A 54 1.786 -8.948 14.762 1.00 0.00 N ATOM 872 CA LYS A 54 1.987 -9.762 13.586 1.00 0.00 C ATOM 873 C LYS A 54 1.455 -11.157 13.756 1.00 0.00 C ATOM 874 O LYS A 54 0.798 -11.695 12.862 1.00 0.00 O ATOM 875 CB LYS A 54 3.475 -9.856 13.194 1.00 0.00 C ATOM 876 CG LYS A 54 3.699 -10.356 11.758 1.00 0.00 C ATOM 877 CD LYS A 54 5.153 -10.231 11.273 1.00 0.00 C ATOM 878 CE LYS A 54 5.620 -8.784 11.081 1.00 0.00 C ATOM 879 NZ LYS A 54 6.979 -8.756 10.498 1.00 0.00 N ATOM 0 H LYS A 54 2.660 -8.583 15.140 1.00 0.00 H new ATOM 0 HA LYS A 54 1.431 -9.261 12.794 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.935 -8.874 13.304 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.984 -10.526 13.887 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.395 -11.401 11.696 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.052 -9.795 11.084 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.809 -10.722 11.992 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.258 -10.765 10.329 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.926 -8.254 10.428 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.617 -8.264 12.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.283 -7.769 10.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.640 -9.244 11.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.971 -9.235 9.575 1.00 0.00 H new ATOM 893 N ALA A 55 1.707 -11.760 14.940 1.00 0.00 N ATOM 894 CA ALA A 55 1.330 -13.112 15.250 1.00 0.00 C ATOM 895 C ALA A 55 -0.104 -13.255 15.678 1.00 0.00 C ATOM 896 O ALA A 55 -0.471 -14.312 16.190 1.00 0.00 O ATOM 897 CB ALA A 55 2.186 -13.699 16.380 1.00 0.00 C ATOM 0 H ALA A 55 2.189 -11.290 15.706 1.00 0.00 H new ATOM 0 HA ALA A 55 1.485 -13.650 14.315 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.869 -14.722 16.583 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.234 -13.697 16.081 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.064 -13.096 17.280 1.00 0.00 H new ATOM 903 N ILE A 56 -0.962 -12.229 15.445 1.00 0.00 N ATOM 904 CA ILE A 56 -2.381 -12.414 15.523 1.00 0.00 C ATOM 905 C ILE A 56 -2.770 -13.233 14.329 1.00 0.00 C ATOM 906 O ILE A 56 -3.640 -14.100 14.429 1.00 0.00 O ATOM 907 CB ILE A 56 -3.189 -11.112 15.589 1.00 0.00 C ATOM 908 CG1 ILE A 56 -3.727 -10.863 17.008 1.00 0.00 C ATOM 909 CG2 ILE A 56 -4.386 -11.044 14.618 1.00 0.00 C ATOM 910 CD1 ILE A 56 -2.679 -10.387 17.999 1.00 0.00 C ATOM 0 H ILE A 56 -0.670 -11.282 15.205 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.618 -12.915 16.461 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.474 -10.345 15.290 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.525 -10.122 16.957 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.172 -11.785 17.382 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.897 -10.088 14.736 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.029 -11.140 13.593 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.080 -11.855 14.838 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.142 -10.236 18.974 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.892 -11.136 18.084 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.250 -9.447 17.652 1.00 0.00 H new ATOM 922 N CYS A 57 -2.124 -12.962 13.168 1.00 0.00 N ATOM 923 CA CYS A 57 -2.537 -13.554 11.925 1.00 0.00 C ATOM 924 C CYS A 57 -1.608 -14.666 11.536 1.00 0.00 C ATOM 925 O CYS A 57 -1.219 -14.790 10.376 1.00 0.00 O ATOM 926 CB CYS A 57 -2.640 -12.549 10.762 1.00 0.00 C ATOM 927 SG CYS A 57 -3.722 -13.179 9.450 1.00 0.00 S ATOM 0 H CYS A 57 -1.321 -12.337 13.093 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.541 -13.940 12.104 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.026 -11.599 11.131 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.647 -12.354 10.357 1.00 0.00 H new ATOM 932 N GLU A 58 -1.241 -15.533 12.508 1.00 0.00 N ATOM 933 CA GLU A 58 -0.645 -16.800 12.185 1.00 0.00 C ATOM 934 C GLU A 58 -1.367 -17.776 13.024 1.00 0.00 C ATOM 935 O GLU A 58 -0.894 -18.874 13.318 1.00 0.00 O ATOM 936 CB GLU A 58 0.857 -16.920 12.515 1.00 0.00 C ATOM 937 CG GLU A 58 1.696 -15.727 12.052 1.00 0.00 C ATOM 938 CD GLU A 58 3.141 -15.963 12.463 1.00 0.00 C ATOM 939 OE1 GLU A 58 3.399 -16.066 13.692 1.00 0.00 O ATOM 940 OE2 GLU A 58 4.009 -16.040 11.552 1.00 0.00 O ATOM 0 H GLU A 58 -1.356 -15.358 13.506 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.720 -16.952 11.108 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.973 -17.036 13.593 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.248 -17.827 12.053 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.624 -15.611 10.971 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.322 -14.805 12.497 1.00 0.00 H new ATOM 947 N ASN A 59 -2.556 -17.297 13.410 1.00 0.00 N ATOM 948 CA ASN A 59 -3.488 -17.795 14.391 1.00 0.00 C ATOM 949 C ASN A 59 -2.845 -18.292 15.652 1.00 0.00 C ATOM 950 O ASN A 59 -3.229 -19.344 16.162 1.00 0.00 O ATOM 951 CB ASN A 59 -4.418 -18.896 13.855 1.00 0.00 C ATOM 952 CG ASN A 59 -5.168 -18.330 12.653 1.00 0.00 C ATOM 953 OD1 ASN A 59 -5.905 -17.343 12.768 1.00 0.00 O ATOM 954 ND2 ASN A 59 -4.965 -18.992 11.474 1.00 0.00 N ATOM 0 H ASN A 59 -2.918 -16.446 12.979 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.080 -16.911 14.628 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -3.842 -19.775 13.566 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.119 -19.213 14.627 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.434 -18.677 10.625 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.344 -19.801 11.444 1.00 0.00 H new ATOM 961 N LYS A 60 -1.859 -17.540 16.194 1.00 0.00 N ATOM 962 CA LYS A 60 -1.237 -17.928 17.429 1.00 0.00 C ATOM 963 C LYS A 60 -1.946 -17.210 18.516 1.00 0.00 C ATOM 964 O LYS A 60 -2.253 -17.780 19.561 1.00 0.00 O ATOM 965 CB LYS A 60 0.257 -17.559 17.538 1.00 0.00 C ATOM 966 CG LYS A 60 1.138 -18.176 16.441 1.00 0.00 C ATOM 967 CD LYS A 60 1.187 -19.709 16.453 1.00 0.00 C ATOM 968 CE LYS A 60 2.066 -20.271 15.333 1.00 0.00 C ATOM 969 NZ LYS A 60 2.070 -21.749 15.381 1.00 0.00 N ATOM 0 H LYS A 60 -1.499 -16.678 15.784 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.300 -19.014 17.491 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.356 -16.474 17.501 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.629 -17.880 18.511 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.772 -17.844 15.469 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.152 -17.792 16.548 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.567 -20.051 17.416 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.176 -20.103 16.351 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.696 -19.932 14.365 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.083 -19.894 15.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.670 -22.120 14.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.444 -22.066 16.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.099 -22.103 15.262 1.00 0.00 H new ATOM 983 N ASN A 61 -2.178 -15.908 18.274 1.00 0.00 N ATOM 984 CA ASN A 61 -2.641 -15.000 19.279 1.00 0.00 C ATOM 985 C ASN A 61 -3.945 -14.434 18.848 1.00 0.00 C ATOM 986 O ASN A 61 -4.421 -13.486 19.463 1.00 0.00 O ATOM 987 CB ASN A 61 -1.737 -13.770 19.415 1.00 0.00 C ATOM 988 CG ASN A 61 -0.305 -14.146 19.772 1.00 0.00 C ATOM 989 OD1 ASN A 61 0.002 -15.167 20.396 1.00 0.00 O ATOM 990 ND2 ASN A 61 0.601 -13.226 19.329 1.00 0.00 N ATOM 0 H ASN A 61 -2.041 -15.476 17.360 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.678 -15.566 20.210 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.742 -13.212 18.479 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.139 -13.108 20.182 1.00 0.00 H new ATOM 0 HD21 ASN A 61 1.596 -13.362 19.509 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.283 -12.402 18.818 1.00 0.00 H new ATOM 997 N GLY A 62 -4.546 -14.959 17.763 1.00 0.00 N ATOM 998 CA GLY A 62 -5.749 -14.353 17.278 1.00 0.00 C ATOM 999 C GLY A 62 -6.570 -15.384 16.593 1.00 0.00 C ATOM 1000 O GLY A 62 -6.090 -16.466 16.258 1.00 0.00 O ATOM 0 H GLY A 62 -4.216 -15.770 17.239 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.309 -13.914 18.104 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.511 -13.543 16.589 1.00 0.00 H new ATOM 1004 N ASN A 63 -7.858 -15.039 16.396 1.00 0.00 N ATOM 1005 CA ASN A 63 -8.835 -15.912 15.824 1.00 0.00 C ATOM 1006 C ASN A 63 -9.179 -15.318 14.492 1.00 0.00 C ATOM 1007 O ASN A 63 -8.988 -14.113 14.329 1.00 0.00 O ATOM 1008 CB ASN A 63 -10.122 -15.947 16.669 1.00 0.00 C ATOM 1009 CG ASN A 63 -9.761 -16.428 18.074 1.00 0.00 C ATOM 1010 OD1 ASN A 63 -9.373 -17.586 18.270 1.00 0.00 O ATOM 1011 ND2 ASN A 63 -9.892 -15.498 19.069 1.00 0.00 N ATOM 0 H ASN A 63 -8.229 -14.122 16.644 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.441 -16.927 15.762 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -10.575 -14.957 16.712 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -10.856 -16.614 16.216 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.665 -15.746 20.032 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -10.217 -14.557 18.848 1.00 0.00 H new ATOM 1018 N PRO A 64 -9.682 -16.076 13.528 1.00 0.00 N ATOM 1019 CA PRO A 64 -10.289 -15.528 12.349 1.00 0.00 C ATOM 1020 C PRO A 64 -11.605 -14.952 12.780 1.00 0.00 C ATOM 1021 O PRO A 64 -12.339 -15.592 13.533 1.00 0.00 O ATOM 1022 CB PRO A 64 -10.464 -16.719 11.403 1.00 0.00 C ATOM 1023 CG PRO A 64 -10.474 -17.952 12.313 1.00 0.00 C ATOM 1024 CD PRO A 64 -9.605 -17.526 13.498 1.00 0.00 C ATOM 0 HA PRO A 64 -9.715 -14.745 11.853 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -11.392 -16.640 10.836 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.651 -16.770 10.679 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.485 -18.210 12.629 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -10.064 -18.827 11.808 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.970 -17.959 14.429 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.576 -17.863 13.372 1.00 0.00 H new ATOM 1032 N HIS A 65 -11.901 -13.730 12.299 1.00 0.00 N ATOM 1033 CA HIS A 65 -13.073 -13.009 12.689 1.00 0.00 C ATOM 1034 C HIS A 65 -13.727 -12.575 11.428 1.00 0.00 C ATOM 1035 O HIS A 65 -13.056 -12.042 10.549 1.00 0.00 O ATOM 1036 CB HIS A 65 -12.712 -11.748 13.498 1.00 0.00 C ATOM 1037 CG HIS A 65 -13.853 -10.803 13.735 1.00 0.00 C ATOM 1038 ND1 HIS A 65 -14.954 -11.131 14.479 1.00 0.00 N ATOM 1039 CD2 HIS A 65 -14.016 -9.527 13.318 1.00 0.00 C ATOM 1040 CE1 HIS A 65 -15.765 -10.081 14.505 1.00 0.00 C ATOM 1041 NE2 HIS A 65 -15.218 -9.093 13.809 1.00 0.00 N ATOM 0 H HIS A 65 -11.315 -13.234 11.627 1.00 0.00 H new ATOM 0 HA HIS A 65 -13.711 -13.639 13.309 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.308 -12.056 14.462 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.919 -11.213 12.976 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -13.327 -8.957 12.712 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -16.718 -10.038 15.012 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -15.624 -8.168 13.664 1.00 0.00 H new ATOM 1050 N ARG A 66 -15.064 -12.777 11.354 1.00 0.00 N ATOM 1051 CA ARG A 66 -15.934 -12.246 10.335 1.00 0.00 C ATOM 1052 C ARG A 66 -15.600 -12.809 8.980 1.00 0.00 C ATOM 1053 O ARG A 66 -15.947 -13.948 8.673 1.00 0.00 O ATOM 1054 CB ARG A 66 -15.982 -10.694 10.356 1.00 0.00 C ATOM 1055 CG ARG A 66 -17.177 -10.040 9.636 1.00 0.00 C ATOM 1056 CD ARG A 66 -18.556 -10.391 10.218 1.00 0.00 C ATOM 1057 NE ARG A 66 -18.577 -10.070 11.680 1.00 0.00 N ATOM 1058 CZ ARG A 66 -18.898 -8.829 12.157 1.00 0.00 C ATOM 1059 NH1 ARG A 66 -19.231 -7.815 11.308 1.00 0.00 N ATOM 1060 NH2 ARG A 66 -18.882 -8.604 13.504 1.00 0.00 N ATOM 0 H ARG A 66 -15.564 -13.341 12.042 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.948 -12.574 10.565 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -15.987 -10.366 11.395 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -15.063 -10.317 9.907 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -17.052 -8.958 9.665 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -17.156 -10.335 8.587 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -19.334 -9.830 9.700 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -18.769 -11.449 10.064 1.00 0.00 H new ATOM 0 HE ARG A 66 -18.343 -10.806 12.347 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -19.243 -7.976 10.301 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -19.468 -6.895 11.680 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -18.632 -9.358 14.144 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -19.120 -7.682 13.870 1.00 0.00 H new ATOM 1074 N GLU A 67 -14.907 -12.011 8.143 1.00 0.00 N ATOM 1075 CA GLU A 67 -14.413 -12.431 6.877 1.00 0.00 C ATOM 1076 C GLU A 67 -13.263 -11.511 6.649 1.00 0.00 C ATOM 1077 O GLU A 67 -13.423 -10.301 6.512 1.00 0.00 O ATOM 1078 CB GLU A 67 -15.424 -12.393 5.703 1.00 0.00 C ATOM 1079 CG GLU A 67 -16.259 -11.111 5.566 1.00 0.00 C ATOM 1080 CD GLU A 67 -17.255 -11.322 4.434 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -16.803 -11.520 3.274 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -18.482 -11.286 4.716 1.00 0.00 O ATOM 0 H GLU A 67 -14.686 -11.039 8.362 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.155 -13.490 6.900 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -14.875 -12.545 4.774 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -16.106 -13.236 5.812 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.781 -10.894 6.498 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.616 -10.257 5.354 1.00 0.00 H new ATOM 1089 N ASN A 68 -12.058 -12.116 6.665 1.00 0.00 N ATOM 1090 CA ASN A 68 -10.742 -11.563 6.412 1.00 0.00 C ATOM 1091 C ASN A 68 -10.258 -10.597 7.459 1.00 0.00 C ATOM 1092 O ASN A 68 -9.285 -9.877 7.237 1.00 0.00 O ATOM 1093 CB ASN A 68 -10.452 -11.054 4.963 1.00 0.00 C ATOM 1094 CG ASN A 68 -10.964 -9.643 4.614 1.00 0.00 C ATOM 1095 OD1 ASN A 68 -10.289 -8.633 4.842 1.00 0.00 O ATOM 1096 ND2 ASN A 68 -12.172 -9.596 3.976 1.00 0.00 N ATOM 0 H ASN A 68 -11.993 -13.111 6.880 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.129 -12.460 6.499 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.374 -11.075 4.804 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.892 -11.760 4.259 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -12.551 -8.701 3.667 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.694 -10.456 3.809 1.00 0.00 H new ATOM 1103 N LEU A 69 -10.908 -10.576 8.641 1.00 0.00 N ATOM 1104 CA LEU A 69 -10.515 -9.718 9.717 1.00 0.00 C ATOM 1105 C LEU A 69 -9.939 -10.656 10.708 1.00 0.00 C ATOM 1106 O LEU A 69 -10.083 -11.868 10.564 1.00 0.00 O ATOM 1107 CB LEU A 69 -11.681 -8.942 10.356 1.00 0.00 C ATOM 1108 CG LEU A 69 -12.567 -8.173 9.348 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -13.705 -7.450 10.090 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -11.773 -7.190 8.467 1.00 0.00 C ATOM 0 H LEU A 69 -11.716 -11.162 8.851 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.833 -8.945 9.364 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.306 -9.642 10.910 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.277 -8.234 11.079 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.989 -8.913 8.668 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -14.323 -6.911 9.372 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.317 -8.181 10.619 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.282 -6.745 10.806 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.454 -6.684 7.783 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.279 -6.452 9.099 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.024 -7.738 7.895 1.00 0.00 H new ATOM 1122 N ARG A 70 -9.255 -10.116 11.728 1.00 0.00 N ATOM 1123 CA ARG A 70 -8.529 -10.948 12.638 1.00 0.00 C ATOM 1124 C ARG A 70 -8.595 -10.262 13.958 1.00 0.00 C ATOM 1125 O ARG A 70 -7.983 -9.213 14.154 1.00 0.00 O ATOM 1126 CB ARG A 70 -7.049 -11.105 12.231 1.00 0.00 C ATOM 1127 CG ARG A 70 -6.564 -12.560 12.151 1.00 0.00 C ATOM 1128 CD ARG A 70 -7.189 -13.317 10.980 1.00 0.00 C ATOM 1129 NE ARG A 70 -6.551 -14.653 10.855 1.00 0.00 N ATOM 1130 CZ ARG A 70 -6.846 -15.435 9.775 1.00 0.00 C ATOM 1131 NH1 ARG A 70 -7.784 -15.029 8.869 1.00 0.00 N ATOM 1132 NH2 ARG A 70 -6.201 -16.622 9.593 1.00 0.00 N ATOM 0 H ARG A 70 -9.203 -9.116 11.924 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.962 -11.948 12.652 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.899 -10.631 11.261 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.429 -10.567 12.948 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.479 -12.574 12.052 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.805 -13.073 13.082 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.262 -13.428 11.136 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.058 -12.752 10.057 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.900 -14.982 11.568 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.266 -14.140 8.998 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.002 -15.615 8.063 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.496 -16.928 10.264 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.423 -17.204 8.786 1.00 0.00 H new ATOM 1146 N ILE A 71 -9.362 -10.851 14.895 1.00 0.00 N ATOM 1147 CA ILE A 71 -9.524 -10.280 16.198 1.00 0.00 C ATOM 1148 C ILE A 71 -8.446 -10.878 17.043 1.00 0.00 C ATOM 1149 O ILE A 71 -8.062 -12.027 16.835 1.00 0.00 O ATOM 1150 CB ILE A 71 -10.920 -10.505 16.762 1.00 0.00 C ATOM 1151 CG1 ILE A 71 -11.207 -9.587 17.967 1.00 0.00 C ATOM 1152 CG2 ILE A 71 -11.182 -11.991 17.090 1.00 0.00 C ATOM 1153 CD1 ILE A 71 -12.706 -9.445 18.252 1.00 0.00 C ATOM 0 H ILE A 71 -9.870 -11.723 14.750 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.429 -9.195 16.168 1.00 0.00 H new ATOM 0 HB ILE A 71 -11.626 -10.230 15.978 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.709 -9.986 18.850 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.781 -8.601 17.779 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.190 -12.103 17.490 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.083 -12.587 16.183 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.458 -12.333 17.830 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.853 -8.789 19.110 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.203 -9.020 17.380 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -13.130 -10.426 18.469 1.00 0.00 H new ATOM 1165 N SER A 72 -7.925 -10.099 18.012 1.00 0.00 N ATOM 1166 CA SER A 72 -6.886 -10.591 18.877 1.00 0.00 C ATOM 1167 C SER A 72 -7.447 -11.404 19.998 1.00 0.00 C ATOM 1168 O SER A 72 -8.658 -11.545 20.171 1.00 0.00 O ATOM 1169 CB SER A 72 -6.049 -9.496 19.560 1.00 0.00 C ATOM 1170 OG SER A 72 -5.725 -8.470 18.644 1.00 0.00 O ATOM 0 H SER A 72 -8.217 -9.139 18.198 1.00 0.00 H new ATOM 0 HA SER A 72 -6.256 -11.171 18.202 1.00 0.00 H new ATOM 0 HB2 SER A 72 -6.604 -9.078 20.400 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.135 -9.930 19.966 1.00 0.00 H new ATOM 0 HG SER A 72 -6.548 -8.105 18.257 1.00 0.00 H new ATOM 1176 N LYS A 73 -6.520 -11.942 20.809 1.00 0.00 N ATOM 1177 CA LYS A 73 -6.839 -12.701 21.972 1.00 0.00 C ATOM 1178 C LYS A 73 -5.700 -12.413 22.901 1.00 0.00 C ATOM 1179 O LYS A 73 -5.652 -12.906 24.027 1.00 0.00 O ATOM 1180 CB LYS A 73 -6.926 -14.216 21.672 1.00 0.00 C ATOM 1181 CG LYS A 73 -7.684 -15.065 22.707 1.00 0.00 C ATOM 1182 CD LYS A 73 -9.173 -14.709 22.827 1.00 0.00 C ATOM 1183 CE LYS A 73 -9.949 -15.643 23.762 1.00 0.00 C ATOM 1184 NZ LYS A 73 -9.954 -17.026 23.235 1.00 0.00 N ATOM 0 H LYS A 73 -5.517 -11.845 20.648 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.813 -12.434 22.381 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.406 -14.347 20.702 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.913 -14.607 21.582 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.592 -16.117 22.438 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.211 -14.942 23.681 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.266 -13.685 23.189 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.627 -14.739 21.837 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.498 -15.628 24.754 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.973 -15.287 23.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.669 -17.588 23.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.181 -17.010 22.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.016 -17.454 23.373 1.00 0.00 H new ATOM 1198 N SER A 74 -4.750 -11.577 22.421 1.00 0.00 N ATOM 1199 CA SER A 74 -3.638 -11.112 23.189 1.00 0.00 C ATOM 1200 C SER A 74 -3.829 -9.638 23.180 1.00 0.00 C ATOM 1201 O SER A 74 -3.367 -8.948 22.275 1.00 0.00 O ATOM 1202 CB SER A 74 -2.273 -11.455 22.568 1.00 0.00 C ATOM 1203 OG SER A 74 -1.223 -10.881 23.333 1.00 0.00 O ATOM 0 H SER A 74 -4.762 -11.217 21.467 1.00 0.00 H new ATOM 0 HA SER A 74 -3.618 -11.574 24.176 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.149 -12.537 22.522 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.229 -11.085 21.544 1.00 0.00 H new ATOM 0 HG SER A 74 -0.360 -11.109 22.927 1.00 0.00 H new ATOM 1209 N SER A 75 -4.569 -9.163 24.198 1.00 0.00 N ATOM 1210 CA SER A 75 -4.957 -7.790 24.392 1.00 0.00 C ATOM 1211 C SER A 75 -3.782 -6.871 24.516 1.00 0.00 C ATOM 1212 O SER A 75 -2.861 -7.118 25.292 1.00 0.00 O ATOM 1213 CB SER A 75 -5.795 -7.611 25.665 1.00 0.00 C ATOM 1214 OG SER A 75 -6.993 -8.366 25.564 1.00 0.00 O ATOM 0 H SER A 75 -4.921 -9.773 24.935 1.00 0.00 H new ATOM 0 HA SER A 75 -5.537 -7.536 23.505 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.224 -7.934 26.535 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.030 -6.557 25.811 1.00 0.00 H new ATOM 0 HG SER A 75 -7.523 -8.249 26.380 1.00 0.00 H new ATOM 1220 N PHE A 76 -3.821 -5.777 23.724 1.00 0.00 N ATOM 1221 CA PHE A 76 -2.767 -4.805 23.672 1.00 0.00 C ATOM 1222 C PHE A 76 -3.273 -3.557 24.287 1.00 0.00 C ATOM 1223 O PHE A 76 -4.478 -3.324 24.367 1.00 0.00 O ATOM 1224 CB PHE A 76 -2.352 -4.386 22.247 1.00 0.00 C ATOM 1225 CG PHE A 76 -1.958 -5.550 21.407 1.00 0.00 C ATOM 1226 CD1 PHE A 76 -2.937 -6.202 20.689 1.00 0.00 C ATOM 1227 CD2 PHE A 76 -0.632 -5.935 21.252 1.00 0.00 C ATOM 1228 CE1 PHE A 76 -2.617 -7.275 19.898 1.00 0.00 C ATOM 1229 CE2 PHE A 76 -0.310 -7.016 20.449 1.00 0.00 C ATOM 1230 CZ PHE A 76 -1.318 -7.712 19.820 1.00 0.00 C ATOM 0 H PHE A 76 -4.604 -5.564 23.106 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.915 -5.267 24.171 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.179 -3.860 21.770 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.520 -3.685 22.305 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.962 -5.866 20.750 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.150 -5.389 21.759 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.389 -7.778 19.335 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.721 -7.310 20.317 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.085 -8.607 19.262 1.00 0.00 H new ATOM 1240 N GLN A 77 -2.314 -2.720 24.720 1.00 0.00 N ATOM 1241 CA GLN A 77 -2.553 -1.464 25.337 1.00 0.00 C ATOM 1242 C GLN A 77 -2.848 -0.506 24.261 1.00 0.00 C ATOM 1243 O GLN A 77 -2.266 -0.586 23.187 1.00 0.00 O ATOM 1244 CB GLN A 77 -1.299 -1.090 26.149 1.00 0.00 C ATOM 1245 CG GLN A 77 -1.532 -0.219 27.378 1.00 0.00 C ATOM 1246 CD GLN A 77 -0.565 -0.682 28.464 1.00 0.00 C ATOM 1247 OE1 GLN A 77 0.653 -0.726 28.260 1.00 0.00 O ATOM 1248 NE2 GLN A 77 -1.150 -1.040 29.648 1.00 0.00 N ATOM 0 H GLN A 77 -1.321 -2.936 24.632 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.397 -1.474 26.027 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.810 -2.010 26.468 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.604 -0.572 25.488 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.365 0.831 27.140 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.563 -0.308 27.720 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -2.163 -0.981 29.755 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.573 -1.365 30.424 1.00 0.00 H new ATOM 1257 N VAL A 78 -3.809 0.397 24.508 1.00 0.00 N ATOM 1258 CA VAL A 78 -4.361 1.180 23.449 1.00 0.00 C ATOM 1259 C VAL A 78 -4.637 2.527 24.032 1.00 0.00 C ATOM 1260 O VAL A 78 -5.041 2.646 25.186 1.00 0.00 O ATOM 1261 CB VAL A 78 -5.604 0.500 22.888 1.00 0.00 C ATOM 1262 CG1 VAL A 78 -6.817 1.429 22.662 1.00 0.00 C ATOM 1263 CG2 VAL A 78 -5.144 -0.181 21.589 1.00 0.00 C ATOM 0 H VAL A 78 -4.201 0.585 25.431 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.681 1.283 22.603 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.991 -0.210 23.619 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.649 0.850 22.261 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.112 1.880 23.610 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.548 2.214 21.955 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.989 -0.693 21.128 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.756 0.571 20.902 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.361 -0.905 21.815 1.00 0.00 H new ATOM 1273 N THR A 79 -4.412 3.581 23.225 1.00 0.00 N ATOM 1274 CA THR A 79 -4.884 4.894 23.534 1.00 0.00 C ATOM 1275 C THR A 79 -5.546 5.323 22.280 1.00 0.00 C ATOM 1276 O THR A 79 -4.883 5.603 21.282 1.00 0.00 O ATOM 1277 CB THR A 79 -3.816 5.898 23.886 1.00 0.00 C ATOM 1278 OG1 THR A 79 -3.134 5.470 25.049 1.00 0.00 O ATOM 1279 CG2 THR A 79 -4.449 7.266 24.185 1.00 0.00 C ATOM 0 H THR A 79 -3.896 3.520 22.347 1.00 0.00 H new ATOM 0 HA THR A 79 -5.517 4.855 24.421 1.00 0.00 H new ATOM 0 HB THR A 79 -3.130 5.982 23.044 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.496 4.765 24.813 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.667 7.982 24.438 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.991 7.616 23.306 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.139 7.172 25.023 1.00 0.00 H new ATOM 1287 N THR A 80 -6.886 5.397 22.327 1.00 0.00 N ATOM 1288 CA THR A 80 -7.662 5.930 21.254 1.00 0.00 C ATOM 1289 C THR A 80 -7.634 7.414 21.422 1.00 0.00 C ATOM 1290 O THR A 80 -8.358 7.968 22.246 1.00 0.00 O ATOM 1291 CB THR A 80 -9.078 5.415 21.275 1.00 0.00 C ATOM 1292 OG1 THR A 80 -9.050 3.995 21.255 1.00 0.00 O ATOM 1293 CG2 THR A 80 -9.844 5.917 20.043 1.00 0.00 C ATOM 0 H THR A 80 -7.440 5.082 23.123 1.00 0.00 H new ATOM 0 HA THR A 80 -7.249 5.625 20.292 1.00 0.00 H new ATOM 0 HB THR A 80 -9.577 5.774 22.175 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.967 3.649 21.270 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.866 5.538 20.070 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.861 7.007 20.044 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.350 5.563 19.138 1.00 0.00 H new ATOM 1301 N CYS A 81 -6.776 8.087 20.625 1.00 0.00 N ATOM 1302 CA CYS A 81 -6.674 9.512 20.660 1.00 0.00 C ATOM 1303 C CYS A 81 -7.716 9.997 19.719 1.00 0.00 C ATOM 1304 O CYS A 81 -7.623 9.775 18.513 1.00 0.00 O ATOM 1305 CB CYS A 81 -5.327 10.059 20.168 1.00 0.00 C ATOM 1306 SG CYS A 81 -3.910 9.491 21.155 1.00 0.00 S ATOM 0 H CYS A 81 -6.152 7.638 19.955 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.785 9.844 21.692 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.180 9.760 19.130 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -5.358 11.148 20.185 1.00 0.00 H new ATOM 1311 N LYS A 82 -8.746 10.653 20.277 1.00 0.00 N ATOM 1312 CA LYS A 82 -9.902 11.018 19.516 1.00 0.00 C ATOM 1313 C LYS A 82 -9.988 12.499 19.599 1.00 0.00 C ATOM 1314 O LYS A 82 -9.681 13.083 20.636 1.00 0.00 O ATOM 1315 CB LYS A 82 -11.198 10.386 20.053 1.00 0.00 C ATOM 1316 CG LYS A 82 -12.375 10.485 19.072 1.00 0.00 C ATOM 1317 CD LYS A 82 -13.621 9.758 19.585 1.00 0.00 C ATOM 1318 CE LYS A 82 -14.795 9.775 18.600 1.00 0.00 C ATOM 1319 NZ LYS A 82 -14.464 9.009 17.377 1.00 0.00 N ATOM 0 H LYS A 82 -8.780 10.932 21.257 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.801 10.656 18.493 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.014 9.337 20.284 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.472 10.875 20.988 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.614 11.534 18.900 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.081 10.063 18.111 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -13.361 8.723 19.808 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.938 10.216 20.522 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -15.679 9.349 19.074 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.039 10.804 18.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.335 8.815 16.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.811 9.563 16.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.013 8.110 17.642 1.00 0.00 H new ATOM 1333 N LEU A 83 -10.384 13.126 18.478 1.00 0.00 N ATOM 1334 CA LEU A 83 -10.370 14.549 18.312 1.00 0.00 C ATOM 1335 C LEU A 83 -11.548 15.105 19.033 1.00 0.00 C ATOM 1336 O LEU A 83 -12.694 14.761 18.743 1.00 0.00 O ATOM 1337 CB LEU A 83 -10.504 14.901 16.810 1.00 0.00 C ATOM 1338 CG LEU A 83 -10.461 16.389 16.384 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -9.056 17.000 16.489 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -10.984 16.520 14.941 1.00 0.00 C ATOM 0 H LEU A 83 -10.726 12.627 17.657 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.438 14.961 18.700 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.707 14.382 16.278 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.447 14.484 16.457 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.097 16.944 17.073 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.089 18.044 16.177 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.709 16.940 17.521 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.371 16.450 15.844 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.955 17.566 14.637 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.357 15.931 14.272 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.010 16.156 14.891 1.00 0.00 H new ATOM 1352 N HIS A 84 -11.260 16.001 19.995 1.00 0.00 N ATOM 1353 CA HIS A 84 -12.273 16.733 20.687 1.00 0.00 C ATOM 1354 C HIS A 84 -11.766 18.127 20.729 1.00 0.00 C ATOM 1355 O HIS A 84 -11.725 18.774 21.774 1.00 0.00 O ATOM 1356 CB HIS A 84 -12.530 16.216 22.112 1.00 0.00 C ATOM 1357 CG HIS A 84 -13.084 14.824 22.099 1.00 0.00 C ATOM 1358 ND1 HIS A 84 -12.465 13.629 22.250 1.00 0.00 N flip ATOM 1359 CD2 HIS A 84 -14.396 14.566 21.814 1.00 0.00 C flip ATOM 1360 CE1 HIS A 84 -13.413 12.660 22.065 1.00 0.00 C flip ATOM 1361 NE2 HIS A 84 -14.570 13.251 21.803 1.00 0.00 N flip ATOM 0 H HIS A 84 -10.310 16.220 20.296 1.00 0.00 H new ATOM 0 HA HIS A 84 -13.231 16.635 20.177 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -11.600 16.233 22.680 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -13.227 16.881 22.622 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -15.160 15.306 21.629 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -13.247 11.594 22.123 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -15.452 12.772 21.622 1.00 0.00 H new ATOM 1370 N GLY A 85 -11.368 18.598 19.535 1.00 0.00 N ATOM 1371 CA GLY A 85 -10.910 19.937 19.326 1.00 0.00 C ATOM 1372 C GLY A 85 -12.070 20.666 18.760 1.00 0.00 C ATOM 1373 O GLY A 85 -12.595 21.600 19.365 1.00 0.00 O ATOM 0 H GLY A 85 -11.364 18.030 18.688 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -10.580 20.390 20.261 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.061 19.960 18.643 1.00 0.00 H new ATOM 1377 N GLY A 86 -12.479 20.217 17.560 1.00 0.00 N ATOM 1378 CA GLY A 86 -13.606 20.758 16.854 1.00 0.00 C ATOM 1379 C GLY A 86 -13.107 21.417 15.611 1.00 0.00 C ATOM 1380 O GLY A 86 -13.886 21.699 14.701 1.00 0.00 O ATOM 0 H GLY A 86 -12.015 19.456 17.064 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -14.314 19.967 16.607 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.136 21.477 17.479 1.00 0.00 H new ATOM 1384 N SER A 87 -11.785 21.676 15.558 1.00 0.00 N ATOM 1385 CA SER A 87 -11.163 22.300 14.431 1.00 0.00 C ATOM 1386 C SER A 87 -10.821 21.211 13.447 1.00 0.00 C ATOM 1387 O SER A 87 -10.373 20.148 13.876 1.00 0.00 O ATOM 1388 CB SER A 87 -9.862 23.020 14.820 1.00 0.00 C ATOM 1389 OG SER A 87 -9.010 22.143 15.541 1.00 0.00 O ATOM 0 H SER A 87 -11.138 21.447 16.312 1.00 0.00 H new ATOM 0 HA SER A 87 -11.847 23.040 14.015 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.354 23.377 13.924 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.091 23.896 15.427 1.00 0.00 H new ATOM 0 HG SER A 87 -8.105 22.518 15.572 1.00 0.00 H new ATOM 1395 N PRO A 88 -10.980 21.407 12.143 1.00 0.00 N ATOM 1396 CA PRO A 88 -10.474 20.479 11.170 1.00 0.00 C ATOM 1397 C PRO A 88 -9.017 20.751 10.961 1.00 0.00 C ATOM 1398 O PRO A 88 -8.335 19.862 10.463 1.00 0.00 O ATOM 1399 CB PRO A 88 -11.202 20.813 9.867 1.00 0.00 C ATOM 1400 CG PRO A 88 -12.435 21.608 10.296 1.00 0.00 C ATOM 1401 CD PRO A 88 -11.971 22.304 11.574 1.00 0.00 C ATOM 0 HA PRO A 88 -10.618 19.444 11.481 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -10.568 21.397 9.199 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.483 19.908 9.329 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.737 22.326 9.533 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.290 20.958 10.479 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -11.542 23.283 11.359 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.801 22.464 12.262 1.00 0.00 H new ATOM 1409 N TRP A 89 -8.542 21.971 11.273 1.00 0.00 N ATOM 1410 CA TRP A 89 -7.236 22.415 10.888 1.00 0.00 C ATOM 1411 C TRP A 89 -6.354 22.398 12.099 1.00 0.00 C ATOM 1412 O TRP A 89 -6.893 22.356 13.204 1.00 0.00 O ATOM 1413 CB TRP A 89 -7.321 23.834 10.302 1.00 0.00 C ATOM 1414 CG TRP A 89 -8.245 23.850 9.110 1.00 0.00 C ATOM 1415 CD1 TRP A 89 -9.495 24.383 8.995 1.00 0.00 C ATOM 1416 CD2 TRP A 89 -7.987 23.142 7.885 1.00 0.00 C ATOM 1417 NE1 TRP A 89 -10.027 24.067 7.768 1.00 0.00 N ATOM 1418 CE2 TRP A 89 -9.114 23.295 7.079 1.00 0.00 C ATOM 1419 CE3 TRP A 89 -6.911 22.407 7.473 1.00 0.00 C ATOM 1420 CZ2 TRP A 89 -9.178 22.716 5.844 1.00 0.00 C ATOM 1421 CZ3 TRP A 89 -6.982 21.808 6.234 1.00 0.00 C ATOM 1422 CH2 TRP A 89 -8.098 21.961 5.431 1.00 0.00 C ATOM 0 H TRP A 89 -9.074 22.662 11.802 1.00 0.00 H new ATOM 0 HA TRP A 89 -6.821 21.756 10.125 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -7.682 24.528 11.061 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -6.328 24.174 10.007 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -9.993 24.967 9.755 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -10.943 24.355 7.424 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -6.036 22.299 8.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -10.044 22.844 5.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -6.154 21.210 5.884 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -8.125 21.481 4.464 1.00 0.00 H new ATOM 1433 N PRO A 90 -5.029 22.428 11.962 1.00 0.00 N ATOM 1434 CA PRO A 90 -4.135 22.341 13.087 1.00 0.00 C ATOM 1435 C PRO A 90 -4.172 23.665 13.821 1.00 0.00 C ATOM 1436 O PRO A 90 -4.321 24.673 13.128 1.00 0.00 O ATOM 1437 CB PRO A 90 -2.742 22.106 12.490 1.00 0.00 C ATOM 1438 CG PRO A 90 -2.880 22.396 10.994 1.00 0.00 C ATOM 1439 CD PRO A 90 -4.351 22.105 10.720 1.00 0.00 C ATOM 0 HA PRO A 90 -4.402 21.547 13.784 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -2.003 22.762 12.950 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -2.410 21.082 12.662 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -2.623 23.429 10.758 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -2.225 21.760 10.398 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.727 22.710 9.895 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.504 21.061 10.446 1.00 0.00 H new ATOM 1447 N PRO A 91 -4.027 23.761 15.139 1.00 0.00 N ATOM 1448 CA PRO A 91 -3.702 22.668 16.017 1.00 0.00 C ATOM 1449 C PRO A 91 -4.947 21.922 16.352 1.00 0.00 C ATOM 1450 O PRO A 91 -6.053 22.416 16.137 1.00 0.00 O ATOM 1451 CB PRO A 91 -3.184 23.299 17.300 1.00 0.00 C ATOM 1452 CG PRO A 91 -2.729 24.690 16.876 1.00 0.00 C ATOM 1453 CD PRO A 91 -3.680 25.038 15.731 1.00 0.00 C ATOM 0 HA PRO A 91 -2.980 21.993 15.558 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.962 23.350 18.061 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.361 22.723 17.723 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -2.807 25.405 17.695 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -1.689 24.691 16.549 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.565 25.559 16.096 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -3.201 25.694 15.004 1.00 0.00 H new ATOM 1461 N CYS A 92 -4.738 20.712 16.885 1.00 0.00 N ATOM 1462 CA CYS A 92 -5.781 19.758 17.113 1.00 0.00 C ATOM 1463 C CYS A 92 -5.649 19.339 18.541 1.00 0.00 C ATOM 1464 O CYS A 92 -4.555 18.973 18.972 1.00 0.00 O ATOM 1465 CB CYS A 92 -5.586 18.480 16.274 1.00 0.00 C ATOM 1466 SG CYS A 92 -5.344 18.762 14.496 1.00 0.00 S ATOM 0 H CYS A 92 -3.815 20.382 17.168 1.00 0.00 H new ATOM 0 HA CYS A 92 -6.740 20.209 16.857 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -4.724 17.936 16.661 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.456 17.837 16.410 1.00 0.00 H new ATOM 1471 N GLN A 93 -6.764 19.369 19.302 1.00 0.00 N ATOM 1472 CA GLN A 93 -6.758 18.872 20.651 1.00 0.00 C ATOM 1473 C GLN A 93 -7.250 17.466 20.588 1.00 0.00 C ATOM 1474 O GLN A 93 -8.367 17.215 20.142 1.00 0.00 O ATOM 1475 CB GLN A 93 -7.655 19.664 21.622 1.00 0.00 C ATOM 1476 CG GLN A 93 -7.536 19.199 23.080 1.00 0.00 C ATOM 1477 CD GLN A 93 -8.327 20.163 23.959 1.00 0.00 C ATOM 1478 OE1 GLN A 93 -7.750 20.985 24.680 1.00 0.00 O ATOM 1479 NE2 GLN A 93 -9.687 20.041 23.891 1.00 0.00 N ATOM 0 H GLN A 93 -7.663 19.734 18.987 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.744 18.964 21.039 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -7.396 20.721 21.563 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -8.693 19.572 21.303 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -7.921 18.185 23.187 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -6.490 19.177 23.387 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -10.106 19.343 23.277 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -10.282 20.648 24.455 1.00 0.00 H new ATOM 1488 N TYR A 94 -6.406 16.519 21.044 1.00 0.00 N ATOM 1489 CA TYR A 94 -6.757 15.132 21.067 1.00 0.00 C ATOM 1490 C TYR A 94 -6.880 14.707 22.480 1.00 0.00 C ATOM 1491 O TYR A 94 -5.899 14.720 23.220 1.00 0.00 O ATOM 1492 CB TYR A 94 -5.683 14.226 20.477 1.00 0.00 C ATOM 1493 CG TYR A 94 -5.653 14.435 19.021 1.00 0.00 C ATOM 1494 CD1 TYR A 94 -6.622 13.827 18.262 1.00 0.00 C ATOM 1495 CD2 TYR A 94 -4.677 15.197 18.415 1.00 0.00 C ATOM 1496 CE1 TYR A 94 -6.650 14.002 16.901 1.00 0.00 C ATOM 1497 CE2 TYR A 94 -4.698 15.366 17.047 1.00 0.00 C ATOM 1498 CZ TYR A 94 -5.689 14.777 16.292 1.00 0.00 C ATOM 1499 OH TYR A 94 -5.681 14.931 14.895 1.00 0.00 O ATOM 0 H TYR A 94 -5.471 16.719 21.400 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.674 15.039 20.484 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.711 14.455 20.914 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.898 13.182 20.707 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.367 13.207 18.739 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.901 15.658 19.008 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.423 13.533 16.310 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.936 15.961 16.566 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.597 14.866 14.553 1.00 0.00 H new ATOM 1509 N ARG A 95 -8.100 14.287 22.863 1.00 0.00 N ATOM 1510 CA ARG A 95 -8.327 13.767 24.182 1.00 0.00 C ATOM 1511 C ARG A 95 -8.169 12.289 24.122 1.00 0.00 C ATOM 1512 O ARG A 95 -8.666 11.628 23.213 1.00 0.00 O ATOM 1513 CB ARG A 95 -9.720 14.070 24.753 1.00 0.00 C ATOM 1514 CG ARG A 95 -9.926 15.557 25.067 1.00 0.00 C ATOM 1515 CD ARG A 95 -9.098 16.056 26.253 1.00 0.00 C ATOM 1516 NE ARG A 95 -9.366 17.513 26.416 1.00 0.00 N ATOM 1517 CZ ARG A 95 -8.711 18.238 27.370 1.00 0.00 C ATOM 1518 NH1 ARG A 95 -7.797 17.637 28.185 1.00 0.00 N ATOM 1519 NH2 ARG A 95 -8.974 19.571 27.509 1.00 0.00 N ATOM 0 H ARG A 95 -8.926 14.306 22.265 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.607 14.253 24.840 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.478 13.746 24.040 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -9.869 13.488 25.662 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.671 16.144 24.185 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -10.982 15.733 25.273 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.366 15.515 27.160 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -8.037 15.880 26.079 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.045 17.973 25.809 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -7.600 16.641 28.083 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -7.311 18.183 28.896 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -9.658 20.022 26.901 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -8.487 20.116 28.221 1.00 0.00 H new ATOM 1533 N ALA A 96 -7.451 11.755 25.126 1.00 0.00 N ATOM 1534 CA ALA A 96 -7.116 10.360 25.177 1.00 0.00 C ATOM 1535 C ALA A 96 -8.209 9.583 25.826 1.00 0.00 C ATOM 1536 O ALA A 96 -8.777 10.007 26.832 1.00 0.00 O ATOM 1537 CB ALA A 96 -5.870 10.088 26.028 1.00 0.00 C ATOM 0 H ALA A 96 -7.097 12.296 25.915 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.949 10.064 24.141 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.660 9.018 26.034 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.018 10.623 25.608 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.045 10.429 27.048 1.00 0.00 H new ATOM 1543 N THR A 97 -8.491 8.394 25.255 1.00 0.00 N ATOM 1544 CA THR A 97 -9.377 7.429 25.840 1.00 0.00 C ATOM 1545 C THR A 97 -8.552 6.184 25.940 1.00 0.00 C ATOM 1546 O THR A 97 -8.384 5.458 24.961 1.00 0.00 O ATOM 1547 CB THR A 97 -10.617 7.177 25.012 1.00 0.00 C ATOM 1548 OG1 THR A 97 -11.269 8.411 24.750 1.00 0.00 O ATOM 1549 CG2 THR A 97 -11.588 6.249 25.767 1.00 0.00 C ATOM 0 H THR A 97 -8.093 8.096 24.364 1.00 0.00 H new ATOM 0 HA THR A 97 -9.754 7.781 26.800 1.00 0.00 H new ATOM 0 HB THR A 97 -10.322 6.702 24.077 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.072 8.249 24.212 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.475 6.078 25.158 1.00 0.00 H new ATOM 0 HG22 THR A 97 -11.098 5.297 25.970 1.00 0.00 H new ATOM 0 HG23 THR A 97 -11.879 6.715 26.708 1.00 0.00 H new ATOM 1557 N ALA A 98 -8.004 5.928 27.144 1.00 0.00 N ATOM 1558 CA ALA A 98 -7.096 4.837 27.366 1.00 0.00 C ATOM 1559 C ALA A 98 -7.862 3.568 27.594 1.00 0.00 C ATOM 1560 O ALA A 98 -8.955 3.581 28.159 1.00 0.00 O ATOM 1561 CB ALA A 98 -6.205 5.078 28.593 1.00 0.00 C ATOM 0 H ALA A 98 -8.193 6.485 27.977 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.469 4.759 26.478 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.533 4.230 28.727 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.620 5.986 28.445 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.829 5.189 29.480 1.00 0.00 H new ATOM 1567 N GLY A 99 -7.285 2.430 27.152 1.00 0.00 N ATOM 1568 CA GLY A 99 -7.931 1.157 27.288 1.00 0.00 C ATOM 1569 C GLY A 99 -6.896 0.088 27.132 1.00 0.00 C ATOM 1570 O GLY A 99 -5.718 0.372 26.937 1.00 0.00 O ATOM 0 H GLY A 99 -6.371 2.393 26.701 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.415 1.078 28.262 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.711 1.044 26.535 1.00 0.00 H new ATOM 1574 N PHE A 100 -7.328 -1.186 27.223 1.00 0.00 N ATOM 1575 CA PHE A 100 -6.447 -2.308 27.064 1.00 0.00 C ATOM 1576 C PHE A 100 -7.347 -3.387 26.562 1.00 0.00 C ATOM 1577 O PHE A 100 -8.092 -3.983 27.339 1.00 0.00 O ATOM 1578 CB PHE A 100 -5.792 -2.746 28.399 1.00 0.00 C ATOM 1579 CG PHE A 100 -4.684 -3.741 28.219 1.00 0.00 C ATOM 1580 CD1 PHE A 100 -3.413 -3.293 27.936 1.00 0.00 C ATOM 1581 CD2 PHE A 100 -4.860 -5.095 28.448 1.00 0.00 C ATOM 1582 CE1 PHE A 100 -2.330 -4.135 27.907 1.00 0.00 C ATOM 1583 CE2 PHE A 100 -3.780 -5.958 28.398 1.00 0.00 C ATOM 1584 CZ PHE A 100 -2.509 -5.482 28.136 1.00 0.00 C ATOM 0 H PHE A 100 -8.298 -1.441 27.409 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.616 -2.074 26.399 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -5.401 -1.866 28.910 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.556 -3.177 29.046 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.264 -2.243 27.730 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -5.845 -5.479 28.667 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.343 -3.744 27.706 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -3.931 -7.014 28.565 1.00 0.00 H new ATOM 0 HZ PHE A 100 -1.667 -6.157 28.111 1.00 0.00 H new ATOM 1594 N ARG A 101 -7.324 -3.648 25.236 1.00 0.00 N ATOM 1595 CA ARG A 101 -8.241 -4.609 24.692 1.00 0.00 C ATOM 1596 C ARG A 101 -7.678 -5.243 23.465 1.00 0.00 C ATOM 1597 O ARG A 101 -6.657 -4.817 22.926 1.00 0.00 O ATOM 1598 CB ARG A 101 -9.645 -4.052 24.352 1.00 0.00 C ATOM 1599 CG ARG A 101 -9.696 -2.971 23.255 1.00 0.00 C ATOM 1600 CD ARG A 101 -11.117 -2.749 22.729 1.00 0.00 C ATOM 1601 NE ARG A 101 -11.536 -3.993 22.010 1.00 0.00 N ATOM 1602 CZ ARG A 101 -12.792 -4.524 22.091 1.00 0.00 C ATOM 1603 NH1 ARG A 101 -13.764 -3.928 22.838 1.00 0.00 N ATOM 1604 NH2 ARG A 101 -13.077 -5.671 21.405 1.00 0.00 N ATOM 0 H ARG A 101 -6.695 -3.211 24.563 1.00 0.00 H new ATOM 0 HA ARG A 101 -8.373 -5.338 25.492 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -10.279 -4.884 24.045 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -10.080 -3.639 25.262 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -9.307 -2.034 23.652 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -9.046 -3.262 22.430 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -11.800 -2.534 23.551 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -11.146 -1.891 22.058 1.00 0.00 H new ATOM 0 HE ARG A 101 -10.847 -4.470 21.428 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -13.560 -3.070 23.350 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -14.696 -4.340 22.885 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -12.356 -6.120 20.841 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -14.011 -6.078 21.457 1.00 0.00 H new ATOM 1618 N ASN A 102 -8.386 -6.296 23.015 1.00 0.00 N ATOM 1619 CA ASN A 102 -8.093 -7.067 21.847 1.00 0.00 C ATOM 1620 C ASN A 102 -8.490 -6.282 20.635 1.00 0.00 C ATOM 1621 O ASN A 102 -9.598 -5.755 20.562 1.00 0.00 O ATOM 1622 CB ASN A 102 -8.816 -8.434 21.856 1.00 0.00 C ATOM 1623 CG ASN A 102 -10.298 -8.339 22.240 1.00 0.00 C ATOM 1624 OD1 ASN A 102 -10.676 -8.045 23.380 1.00 0.00 O ATOM 1625 ND2 ASN A 102 -11.162 -8.665 21.232 1.00 0.00 N ATOM 0 H ASN A 102 -9.218 -6.629 23.501 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.023 -7.272 21.832 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -8.733 -8.887 20.868 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -8.310 -9.100 22.555 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -12.167 -8.673 21.405 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -10.801 -8.900 20.307 1.00 0.00 H new ATOM 1632 N VAL A 103 -7.563 -6.171 19.656 1.00 0.00 N ATOM 1633 CA VAL A 103 -7.730 -5.250 18.564 1.00 0.00 C ATOM 1634 C VAL A 103 -8.170 -6.031 17.365 1.00 0.00 C ATOM 1635 O VAL A 103 -7.701 -7.145 17.141 1.00 0.00 O ATOM 1636 CB VAL A 103 -6.479 -4.435 18.253 1.00 0.00 C ATOM 1637 CG1 VAL A 103 -6.150 -3.569 19.484 1.00 0.00 C ATOM 1638 CG2 VAL A 103 -5.268 -5.321 17.899 1.00 0.00 C ATOM 0 H VAL A 103 -6.702 -6.717 19.621 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.482 -4.515 18.851 1.00 0.00 H new ATOM 0 HB VAL A 103 -6.681 -3.816 17.379 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -5.257 -2.977 19.284 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.987 -2.904 19.695 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -5.972 -4.213 20.345 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -4.405 -4.690 17.687 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.040 -5.977 18.739 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.502 -5.923 17.021 1.00 0.00 H new ATOM 1648 N VAL A 104 -9.082 -5.465 16.549 1.00 0.00 N ATOM 1649 CA VAL A 104 -9.399 -6.081 15.292 1.00 0.00 C ATOM 1650 C VAL A 104 -8.497 -5.408 14.308 1.00 0.00 C ATOM 1651 O VAL A 104 -8.645 -4.217 14.040 1.00 0.00 O ATOM 1652 CB VAL A 104 -10.840 -5.904 14.849 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -11.069 -6.602 13.493 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -11.764 -6.531 15.903 1.00 0.00 C ATOM 0 H VAL A 104 -9.589 -4.603 16.751 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.264 -7.160 15.372 1.00 0.00 H new ATOM 0 HB VAL A 104 -11.056 -4.841 14.741 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.106 -6.468 13.185 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.409 -6.166 12.743 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.854 -7.666 13.591 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.802 -6.410 15.595 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.536 -7.592 16.001 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.610 -6.037 16.862 1.00 0.00 H new ATOM 1664 N VAL A 105 -7.541 -6.177 13.750 1.00 0.00 N ATOM 1665 CA VAL A 105 -6.689 -5.718 12.687 1.00 0.00 C ATOM 1666 C VAL A 105 -7.183 -6.440 11.468 1.00 0.00 C ATOM 1667 O VAL A 105 -7.654 -7.569 11.582 1.00 0.00 O ATOM 1668 CB VAL A 105 -5.216 -6.001 12.913 1.00 0.00 C ATOM 1669 CG1 VAL A 105 -4.723 -5.137 14.077 1.00 0.00 C ATOM 1670 CG2 VAL A 105 -4.907 -7.463 13.252 1.00 0.00 C ATOM 0 H VAL A 105 -7.354 -7.137 14.041 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.743 -4.633 12.603 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.711 -5.772 11.974 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.664 -5.330 14.251 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.864 -4.084 13.834 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.289 -5.381 14.976 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -3.834 -7.583 13.399 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.432 -7.744 14.165 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.235 -8.104 12.433 1.00 0.00 H new ATOM 1680 N ALA A 106 -7.098 -5.814 10.273 1.00 0.00 N ATOM 1681 CA ALA A 106 -7.508 -6.479 9.061 1.00 0.00 C ATOM 1682 C ALA A 106 -6.318 -7.188 8.519 1.00 0.00 C ATOM 1683 O ALA A 106 -5.303 -6.552 8.235 1.00 0.00 O ATOM 1684 CB ALA A 106 -8.005 -5.546 7.950 1.00 0.00 C ATOM 0 H ALA A 106 -6.752 -4.863 10.144 1.00 0.00 H new ATOM 0 HA ALA A 106 -8.340 -7.128 9.333 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.291 -6.137 7.080 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -8.868 -4.984 8.306 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.210 -4.854 7.674 1.00 0.00 H new ATOM 1690 N CYS A 107 -6.434 -8.527 8.371 1.00 0.00 N ATOM 1691 CA CYS A 107 -5.339 -9.343 7.933 1.00 0.00 C ATOM 1692 C CYS A 107 -5.542 -9.787 6.529 1.00 0.00 C ATOM 1693 O CYS A 107 -6.561 -10.384 6.184 1.00 0.00 O ATOM 1694 CB CYS A 107 -5.140 -10.608 8.780 1.00 0.00 C ATOM 1695 SG CYS A 107 -3.799 -11.641 8.150 1.00 0.00 S ATOM 0 H CYS A 107 -7.293 -9.045 8.557 1.00 0.00 H new ATOM 0 HA CYS A 107 -4.458 -8.710 8.033 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -4.925 -10.324 9.810 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -6.065 -11.184 8.794 1.00 0.00 H new ATOM 1700 N GLU A 108 -4.515 -9.523 5.701 1.00 0.00 N ATOM 1701 CA GLU A 108 -4.401 -10.082 4.392 1.00 0.00 C ATOM 1702 C GLU A 108 -3.088 -10.786 4.421 1.00 0.00 C ATOM 1703 O GLU A 108 -2.096 -10.216 4.869 1.00 0.00 O ATOM 1704 CB GLU A 108 -4.366 -9.001 3.293 1.00 0.00 C ATOM 1705 CG GLU A 108 -4.348 -9.548 1.860 1.00 0.00 C ATOM 1706 CD GLU A 108 -4.399 -8.356 0.915 1.00 0.00 C ATOM 1707 OE1 GLU A 108 -3.451 -7.527 0.953 1.00 0.00 O ATOM 1708 OE2 GLU A 108 -5.390 -8.258 0.142 1.00 0.00 O ATOM 0 H GLU A 108 -3.744 -8.904 5.950 1.00 0.00 H new ATOM 0 HA GLU A 108 -5.252 -10.723 4.161 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -5.235 -8.354 3.410 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -3.483 -8.379 3.442 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.448 -10.137 1.686 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.199 -10.208 1.691 1.00 0.00 H new ATOM 1715 N ASN A 109 -3.062 -12.047 3.935 1.00 0.00 N ATOM 1716 CA ASN A 109 -1.888 -12.833 3.620 1.00 0.00 C ATOM 1717 C ASN A 109 -1.118 -13.407 4.778 1.00 0.00 C ATOM 1718 O ASN A 109 -0.110 -14.074 4.550 1.00 0.00 O ATOM 1719 CB ASN A 109 -0.927 -12.214 2.556 1.00 0.00 C ATOM 1720 CG ASN A 109 0.075 -11.143 3.034 1.00 0.00 C ATOM 1721 OD1 ASN A 109 1.041 -11.400 3.760 1.00 0.00 O ATOM 1722 ND2 ASN A 109 -0.158 -9.889 2.535 1.00 0.00 N ATOM 0 H ASN A 109 -3.924 -12.559 3.747 1.00 0.00 H new ATOM 0 HA ASN A 109 -2.373 -13.689 3.151 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -0.359 -13.027 2.103 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -1.538 -11.774 1.768 1.00 0.00 H new ATOM 0 HD21 ASN A 109 0.479 -9.124 2.760 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -0.968 -9.720 1.939 1.00 0.00 H new ATOM 1729 N GLY A 110 -1.554 -13.176 6.036 1.00 0.00 N ATOM 1730 CA GLY A 110 -0.803 -13.611 7.173 1.00 0.00 C ATOM 1731 C GLY A 110 -0.056 -12.425 7.682 1.00 0.00 C ATOM 1732 O GLY A 110 0.960 -12.577 8.358 1.00 0.00 O ATOM 0 H GLY A 110 -2.422 -12.690 6.261 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -1.464 -14.010 7.942 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -0.115 -14.411 6.898 1.00 0.00 H new ATOM 1736 N LEU A 111 -0.561 -11.214 7.361 1.00 0.00 N ATOM 1737 CA LEU A 111 0.066 -10.010 7.828 1.00 0.00 C ATOM 1738 C LEU A 111 -1.070 -9.094 8.169 1.00 0.00 C ATOM 1739 O LEU A 111 -1.924 -8.914 7.305 1.00 0.00 O ATOM 1740 CB LEU A 111 0.884 -9.323 6.722 1.00 0.00 C ATOM 1741 CG LEU A 111 1.881 -8.241 7.162 1.00 0.00 C ATOM 1742 CD1 LEU A 111 2.975 -8.719 8.126 1.00 0.00 C ATOM 1743 CD2 LEU A 111 2.534 -7.613 5.925 1.00 0.00 C ATOM 0 H LEU A 111 -1.391 -11.070 6.786 1.00 0.00 H new ATOM 0 HA LEU A 111 0.738 -10.232 8.657 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.436 -10.092 6.181 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.187 -8.874 6.015 1.00 0.00 H new ATOM 0 HG LEU A 111 1.293 -7.513 7.720 1.00 0.00 H new ATOM 0 HD11 LEU A 111 3.628 -7.884 8.378 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.515 -9.107 9.035 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.560 -9.507 7.651 1.00 0.00 H new ATOM 0 HD21 LEU A 111 3.242 -6.845 6.237 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.060 -8.383 5.361 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.765 -7.164 5.296 1.00 0.00 H new ATOM 1755 N PRO A 112 -1.170 -8.502 9.339 1.00 0.00 N ATOM 1756 CA PRO A 112 -2.233 -7.578 9.617 1.00 0.00 C ATOM 1757 C PRO A 112 -1.860 -6.276 8.978 1.00 0.00 C ATOM 1758 O PRO A 112 -1.041 -5.551 9.529 1.00 0.00 O ATOM 1759 CB PRO A 112 -2.315 -7.515 11.134 1.00 0.00 C ATOM 1760 CG PRO A 112 -1.014 -8.110 11.671 1.00 0.00 C ATOM 1761 CD PRO A 112 -0.522 -8.999 10.534 1.00 0.00 C ATOM 0 HA PRO A 112 -3.210 -7.857 9.223 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -2.438 -6.486 11.472 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -3.176 -8.076 11.498 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -0.289 -7.333 11.913 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.183 -8.683 12.582 1.00 0.00 H new ATOM 0 HD2 PRO A 112 0.563 -8.950 10.440 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.780 -10.043 10.714 1.00 0.00 H new ATOM 1769 N VAL A 113 -2.467 -5.970 7.813 1.00 0.00 N ATOM 1770 CA VAL A 113 -2.036 -4.913 6.945 1.00 0.00 C ATOM 1771 C VAL A 113 -2.722 -3.627 7.262 1.00 0.00 C ATOM 1772 O VAL A 113 -2.211 -2.564 6.911 1.00 0.00 O ATOM 1773 CB VAL A 113 -2.311 -5.190 5.483 1.00 0.00 C ATOM 1774 CG1 VAL A 113 -1.099 -5.903 4.867 1.00 0.00 C ATOM 1775 CG2 VAL A 113 -3.580 -6.045 5.325 1.00 0.00 C ATOM 0 H VAL A 113 -3.283 -6.474 7.465 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.961 -4.847 7.114 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.476 -4.247 4.962 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -1.292 -6.105 3.813 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.218 -5.268 4.959 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.925 -6.843 5.391 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.762 -6.234 4.267 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -3.447 -6.993 5.845 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.432 -5.514 5.750 1.00 0.00 H new ATOM 1785 N HIS A 114 -3.908 -3.690 7.901 1.00 0.00 N ATOM 1786 CA HIS A 114 -4.665 -2.496 8.155 1.00 0.00 C ATOM 1787 C HIS A 114 -5.199 -2.623 9.530 1.00 0.00 C ATOM 1788 O HIS A 114 -4.928 -3.602 10.222 1.00 0.00 O ATOM 1789 CB HIS A 114 -5.897 -2.288 7.255 1.00 0.00 C ATOM 1790 CG HIS A 114 -5.691 -2.595 5.806 1.00 0.00 C ATOM 1791 ND1 HIS A 114 -5.848 -3.758 5.135 1.00 0.00 N flip ATOM 1792 CD2 HIS A 114 -5.368 -1.637 4.887 1.00 0.00 C flip ATOM 1793 CE1 HIS A 114 -5.621 -3.493 3.813 1.00 0.00 C flip ATOM 1794 NE2 HIS A 114 -5.339 -2.204 3.690 1.00 0.00 N flip ATOM 0 H HIS A 114 -4.338 -4.552 8.237 1.00 0.00 H new ATOM 0 HA HIS A 114 -3.988 -1.661 7.976 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -6.709 -2.911 7.629 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -6.222 -1.252 7.347 1.00 0.00 H new ATOM 0 HD1 HIS A 114 -6.090 -4.663 5.539 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -5.170 -0.597 5.100 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -5.664 -4.211 3.007 1.00 0.00 H new ATOM 1803 N LEU A 115 -5.986 -1.610 9.934 1.00 0.00 N ATOM 1804 CA LEU A 115 -6.629 -1.601 11.206 1.00 0.00 C ATOM 1805 C LEU A 115 -8.077 -1.415 10.927 1.00 0.00 C ATOM 1806 O LEU A 115 -8.448 -0.566 10.117 1.00 0.00 O ATOM 1807 CB LEU A 115 -6.177 -0.410 12.065 1.00 0.00 C ATOM 1808 CG LEU A 115 -6.332 -0.591 13.599 1.00 0.00 C ATOM 1809 CD1 LEU A 115 -6.047 -1.925 14.294 1.00 0.00 C ATOM 1810 CD2 LEU A 115 -5.730 0.556 14.409 1.00 0.00 C ATOM 0 H LEU A 115 -6.178 -0.785 9.366 1.00 0.00 H new ATOM 0 HA LEU A 115 -6.394 -2.520 11.742 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.129 -0.204 11.846 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -6.745 0.470 11.762 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.422 -0.585 13.605 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.220 -1.822 15.365 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -6.708 -2.693 13.892 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -5.010 -2.211 14.120 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -5.874 0.365 15.472 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -4.664 0.632 14.195 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.222 1.490 14.138 1.00 0.00 H new ATOM 1822 N ASP A 116 -8.929 -2.196 11.619 1.00 0.00 N ATOM 1823 CA ASP A 116 -10.335 -1.927 11.611 1.00 0.00 C ATOM 1824 C ASP A 116 -10.563 -0.950 12.702 1.00 0.00 C ATOM 1825 O ASP A 116 -10.012 -1.079 13.795 1.00 0.00 O ATOM 1826 CB ASP A 116 -11.248 -3.122 11.915 1.00 0.00 C ATOM 1827 CG ASP A 116 -11.219 -4.074 10.732 1.00 0.00 C ATOM 1828 OD1 ASP A 116 -10.162 -4.721 10.514 1.00 0.00 O ATOM 1829 OD2 ASP A 116 -12.263 -4.168 10.032 1.00 0.00 O ATOM 0 H ASP A 116 -8.649 -3.003 12.177 1.00 0.00 H new ATOM 0 HA ASP A 116 -10.585 -1.597 10.603 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -10.913 -3.632 12.818 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -12.267 -2.781 12.100 1.00 0.00 H new ATOM 1834 N GLN A 117 -11.419 0.047 12.408 1.00 0.00 N ATOM 1835 CA GLN A 117 -11.812 1.053 13.347 1.00 0.00 C ATOM 1836 C GLN A 117 -13.249 0.769 13.645 1.00 0.00 C ATOM 1837 O GLN A 117 -14.106 1.642 13.534 1.00 0.00 O ATOM 1838 CB GLN A 117 -11.701 2.479 12.769 1.00 0.00 C ATOM 1839 CG GLN A 117 -10.288 2.864 12.308 1.00 0.00 C ATOM 1840 CD GLN A 117 -9.335 2.715 13.487 1.00 0.00 C ATOM 1841 OE1 GLN A 117 -8.437 1.871 13.454 1.00 0.00 O ATOM 1842 NE2 GLN A 117 -9.551 3.544 14.549 1.00 0.00 N ATOM 0 H GLN A 117 -11.850 0.156 11.490 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.164 1.020 14.223 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -12.384 2.571 11.924 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -12.031 3.192 13.525 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -9.972 2.225 11.483 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -10.277 3.890 11.940 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -10.311 4.224 14.519 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -8.953 3.484 15.373 1.00 0.00 H new ATOM 1851 N SER A 118 -13.535 -0.499 14.000 1.00 0.00 N ATOM 1852 CA SER A 118 -14.871 -0.993 14.145 1.00 0.00 C ATOM 1853 C SER A 118 -15.414 -0.608 15.480 1.00 0.00 C ATOM 1854 O SER A 118 -16.528 -0.094 15.567 1.00 0.00 O ATOM 1855 CB SER A 118 -14.947 -2.525 14.030 1.00 0.00 C ATOM 1856 OG SER A 118 -16.285 -2.967 14.204 1.00 0.00 O ATOM 0 H SER A 118 -12.818 -1.199 14.191 1.00 0.00 H new ATOM 0 HA SER A 118 -15.455 -0.552 13.337 1.00 0.00 H new ATOM 0 HB2 SER A 118 -14.576 -2.842 13.055 1.00 0.00 H new ATOM 0 HB3 SER A 118 -14.304 -2.985 14.781 1.00 0.00 H new ATOM 0 HG SER A 118 -16.320 -3.943 14.127 1.00 0.00 H new ATOM 1862 N ILE A 119 -14.634 -0.870 16.553 1.00 0.00 N ATOM 1863 CA ILE A 119 -15.105 -0.675 17.897 1.00 0.00 C ATOM 1864 C ILE A 119 -14.711 0.707 18.265 1.00 0.00 C ATOM 1865 O ILE A 119 -15.334 1.339 19.115 1.00 0.00 O ATOM 1866 CB ILE A 119 -14.606 -1.702 18.916 1.00 0.00 C ATOM 1867 CG1 ILE A 119 -13.323 -1.379 19.726 1.00 0.00 C ATOM 1868 CG2 ILE A 119 -14.373 -2.992 18.119 1.00 0.00 C ATOM 1869 CD1 ILE A 119 -13.560 -0.683 21.075 1.00 0.00 C ATOM 0 H ILE A 119 -13.677 -1.217 16.489 1.00 0.00 H new ATOM 0 HA ILE A 119 -16.185 -0.822 17.922 1.00 0.00 H new ATOM 0 HB ILE A 119 -15.370 -1.747 19.692 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -12.782 -2.308 19.905 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -12.678 -0.746 19.117 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -14.013 -3.773 18.788 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -15.309 -3.310 17.660 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -13.631 -2.810 17.342 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -12.603 -0.501 21.563 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -14.070 0.266 20.910 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -14.176 -1.320 21.710 1.00 0.00 H new ATOM 1881 N PHE A 120 -13.610 1.169 17.634 1.00 0.00 N ATOM 1882 CA PHE A 120 -12.865 2.311 18.057 1.00 0.00 C ATOM 1883 C PHE A 120 -13.524 3.564 17.583 1.00 0.00 C ATOM 1884 O PHE A 120 -13.312 4.631 18.158 1.00 0.00 O ATOM 1885 CB PHE A 120 -11.423 2.265 17.519 1.00 0.00 C ATOM 1886 CG PHE A 120 -10.722 1.057 18.064 1.00 0.00 C ATOM 1887 CD1 PHE A 120 -10.500 0.957 19.426 1.00 0.00 C ATOM 1888 CD2 PHE A 120 -10.269 0.036 17.239 1.00 0.00 C ATOM 1889 CE1 PHE A 120 -9.869 -0.147 19.961 1.00 0.00 C ATOM 1890 CE2 PHE A 120 -9.645 -1.074 17.775 1.00 0.00 C ATOM 1891 CZ PHE A 120 -9.452 -1.171 19.138 1.00 0.00 C ATOM 0 H PHE A 120 -13.228 0.727 16.798 1.00 0.00 H new ATOM 0 HA PHE A 120 -12.835 2.300 19.147 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -11.431 2.233 16.430 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -10.887 3.170 17.807 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -10.825 1.754 20.079 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -10.406 0.110 16.170 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -9.702 -0.209 21.026 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -9.307 -1.868 17.125 1.00 0.00 H new ATOM 0 HZ PHE A 120 -8.976 -2.045 19.558 1.00 0.00 H new