USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 869 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 21 CYS SG : rot -50:sc= -3.37 USER MOD Set 1.2: A 23 GLN : amide:sc= -0.196 K(o=-3.6,f=-6!) USER MOD Set 2.1: A 17 THR OG1 : rot 149:sc= 0.398 USER MOD Set 2.2: A 47 HIS : no HD1:sc= -2.27! X(o=-3!,f=-3.5) USER MOD Set 2.3: A 51 MET CE :methyl -158:sc= -1.11! (180deg=-3.49!) USER MOD Single : A 7 SER OG : rot 110:sc= -0.649 USER MOD Single : A 8 TYR OH : rot 4:sc= 0.138 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -4.41 K(o=-4.4,f=-6.5!) USER MOD Single : A 19 SER OG : rot -159:sc= -5.14! USER MOD Single : A 20 SER OG : rot 180:sc= -0.429 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -2.2! USER MOD Single : A 48 ASN : amide:sc= -0.28 K(o=-0.28,f=-2!) USER MOD Single : A 53 MET CE :methyl -145:sc= -1.21 (180deg=-1.95!) USER MOD Single : A 57 LYS NZ :NH3+ -105:sc= -1.06 (180deg=-2.74!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -176:sc= -0.839 (180deg=-0.903) USER MOD Single : A 70 SER OG : rot -45:sc= 1.1 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.482 X(o=-0.48,f=0) USER MOD Single : A 79 CYS SG : rot -54:sc= -0.284! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 61:sc= 0.906 USER MOD Single : A 83 THR OG1 : rot -119:sc= 0.396 USER MOD Single : A 86 HIS : no HD1:sc= -0.885 K(o=-0.89,f=-2.4!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 95:sc= 0.123 USER MOD Single : A 92 TYR OH : rot 180:sc= -0.165 USER MOD Single : A 94 CYS SG : rot 23:sc= 0.698 USER MOD Single : A 96 THR OG1 : rot 114:sc= -1.22 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot -117:sc= 0.41 USER MOD Single : A 113 GLN : amide:sc= 0.116 K(o=0.12,f=-0.62) USER MOD Single : A 115 TYR OH : rot 180:sc= -0.501 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 ASN :FLIP amide:sc= -3.29! C(o=-3.9!,f=-3.3!) USER MOD Single : A 120 THR OG1 : rot 170:sc= -1.29! USER MOD Single : A 121 ASN :FLIP amide:sc= -0.176 F(o=-0.69,f=-0.18) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 HIS :FLIP no HE2:sc= -8.47! C(o=-12!,f=-8.5!) USER MOD Single : A 130 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.29) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 100 N VAL A 6 3.696 -8.357 -3.751 1.00 0.00 N ATOM 101 CA VAL A 6 3.151 -7.913 -2.474 1.00 0.00 C ATOM 102 C VAL A 6 3.142 -9.063 -1.473 1.00 0.00 C ATOM 103 O VAL A 6 2.978 -10.225 -1.849 1.00 0.00 O ATOM 104 CB VAL A 6 1.722 -7.339 -2.644 1.00 0.00 C ATOM 105 CG1 VAL A 6 0.863 -7.593 -1.416 1.00 0.00 C ATOM 106 CG2 VAL A 6 1.776 -5.852 -2.946 1.00 0.00 C ATOM 0 HA VAL A 6 3.792 -7.117 -2.094 1.00 0.00 H new ATOM 0 HB VAL A 6 1.262 -7.856 -3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.131 -7.175 -1.575 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.783 -8.666 -1.244 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.321 -7.120 -0.547 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.763 -5.467 -3.062 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.270 -5.332 -2.125 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.334 -5.688 -3.868 1.00 0.00 H new ATOM 116 N SER A 7 3.329 -8.738 -0.199 1.00 0.00 N ATOM 117 CA SER A 7 3.351 -9.748 0.849 1.00 0.00 C ATOM 118 C SER A 7 1.954 -10.029 1.384 1.00 0.00 C ATOM 119 O SER A 7 1.545 -11.185 1.494 1.00 0.00 O ATOM 120 CB SER A 7 4.271 -9.311 1.991 1.00 0.00 C ATOM 121 OG SER A 7 4.484 -7.912 1.968 1.00 0.00 O ATOM 0 H SER A 7 3.467 -7.783 0.132 1.00 0.00 H new ATOM 0 HA SER A 7 3.735 -10.669 0.411 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.832 -9.599 2.946 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.227 -9.829 1.910 1.00 0.00 H new ATOM 0 HG SER A 7 4.022 -7.498 2.727 1.00 0.00 H new ATOM 127 N TYR A 8 1.226 -8.975 1.732 1.00 0.00 N ATOM 128 CA TYR A 8 -0.115 -9.140 2.267 1.00 0.00 C ATOM 129 C TYR A 8 -1.054 -8.039 1.798 1.00 0.00 C ATOM 130 O TYR A 8 -0.708 -6.861 1.821 1.00 0.00 O ATOM 131 CB TYR A 8 -0.065 -9.161 3.789 1.00 0.00 C ATOM 132 CG TYR A 8 1.083 -9.965 4.361 1.00 0.00 C ATOM 133 CD1 TYR A 8 2.238 -9.344 4.814 1.00 0.00 C ATOM 134 CD2 TYR A 8 1.010 -11.349 4.452 1.00 0.00 C ATOM 135 CE1 TYR A 8 3.286 -10.073 5.341 1.00 0.00 C ATOM 136 CE2 TYR A 8 2.055 -12.088 4.975 1.00 0.00 C ATOM 137 CZ TYR A 8 3.189 -11.444 5.420 1.00 0.00 C ATOM 138 OH TYR A 8 4.229 -12.176 5.944 1.00 0.00 O ATOM 0 H TYR A 8 1.539 -8.007 1.654 1.00 0.00 H new ATOM 0 HA TYR A 8 -0.504 -10.088 1.895 1.00 0.00 H new ATOM 0 HB2 TYR A 8 0.007 -8.136 4.153 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -1.003 -9.568 4.167 1.00 0.00 H new ATOM 0 HD1 TYR A 8 2.319 -8.269 4.753 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.121 -11.857 4.108 1.00 0.00 H new ATOM 0 HE1 TYR A 8 4.176 -9.570 5.689 1.00 0.00 H new ATOM 0 HE2 TYR A 8 1.983 -13.164 5.034 1.00 0.00 H new ATOM 0 HH TYR A 8 4.927 -11.568 6.265 1.00 0.00 H new ATOM 148 N VAL A 9 -2.252 -8.434 1.381 1.00 0.00 N ATOM 149 CA VAL A 9 -3.255 -7.469 0.921 1.00 0.00 C ATOM 150 C VAL A 9 -4.622 -7.781 1.520 1.00 0.00 C ATOM 151 O VAL A 9 -5.373 -8.589 0.973 1.00 0.00 O ATOM 152 CB VAL A 9 -3.400 -7.433 -0.620 1.00 0.00 C ATOM 153 CG1 VAL A 9 -3.803 -6.039 -1.077 1.00 0.00 C ATOM 154 CG2 VAL A 9 -2.122 -7.877 -1.324 1.00 0.00 C ATOM 0 H VAL A 9 -2.555 -9.408 1.350 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.900 -6.494 1.256 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.183 -8.140 -0.894 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.902 -6.026 -2.162 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.756 -5.769 -0.623 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.040 -5.322 -0.774 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.268 -7.836 -2.403 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.303 -7.214 -1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.880 -8.898 -1.029 1.00 0.00 H new ATOM 164 N GLU A 10 -4.947 -7.147 2.646 1.00 0.00 N ATOM 165 CA GLU A 10 -6.227 -7.381 3.299 1.00 0.00 C ATOM 166 C GLU A 10 -7.169 -6.193 3.141 1.00 0.00 C ATOM 167 O GLU A 10 -6.874 -5.085 3.592 1.00 0.00 O ATOM 168 CB GLU A 10 -6.018 -7.682 4.785 1.00 0.00 C ATOM 169 CG GLU A 10 -6.530 -9.049 5.208 1.00 0.00 C ATOM 170 CD GLU A 10 -6.458 -9.262 6.707 1.00 0.00 C ATOM 171 OE1 GLU A 10 -6.666 -10.411 7.154 1.00 0.00 O ATOM 172 OE2 GLU A 10 -6.193 -8.282 7.436 1.00 0.00 O ATOM 0 H GLU A 10 -4.345 -6.473 3.119 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.688 -8.242 2.814 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.955 -7.615 5.014 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.521 -6.916 5.376 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.562 -9.164 4.878 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.947 -9.822 4.707 1.00 0.00 H new ATOM 179 N VAL A 11 -8.320 -6.440 2.524 1.00 0.00 N ATOM 180 CA VAL A 11 -9.320 -5.402 2.338 1.00 0.00 C ATOM 181 C VAL A 11 -10.146 -5.278 3.609 1.00 0.00 C ATOM 182 O VAL A 11 -10.174 -6.199 4.422 1.00 0.00 O ATOM 183 CB VAL A 11 -10.236 -5.700 1.133 1.00 0.00 C ATOM 184 CG1 VAL A 11 -11.385 -4.704 1.050 1.00 0.00 C ATOM 185 CG2 VAL A 11 -9.425 -5.688 -0.152 1.00 0.00 C ATOM 0 H VAL A 11 -8.581 -7.351 2.145 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.809 -4.462 2.130 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.668 -6.691 1.271 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -12.011 -4.942 0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.982 -4.760 1.960 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.985 -3.696 0.940 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.080 -5.899 -0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.967 -4.708 -0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -8.646 -6.448 -0.098 1.00 0.00 H new ATOM 195 N ILE A 12 -10.792 -4.139 3.797 1.00 0.00 N ATOM 196 CA ILE A 12 -11.581 -3.920 4.999 1.00 0.00 C ATOM 197 C ILE A 12 -12.914 -3.246 4.697 1.00 0.00 C ATOM 198 O ILE A 12 -12.953 -2.105 4.248 1.00 0.00 O ATOM 199 CB ILE A 12 -10.794 -3.050 5.995 1.00 0.00 C ATOM 200 CG1 ILE A 12 -9.557 -3.798 6.493 1.00 0.00 C ATOM 201 CG2 ILE A 12 -11.667 -2.630 7.160 1.00 0.00 C ATOM 202 CD1 ILE A 12 -8.292 -2.978 6.424 1.00 0.00 C ATOM 0 H ILE A 12 -10.787 -3.359 3.140 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.786 -4.900 5.430 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.471 -2.148 5.476 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.722 -4.112 7.524 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.427 -4.704 5.901 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -11.085 -2.016 7.848 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -12.516 -2.055 6.790 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -12.029 -3.516 7.682 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.454 -3.570 6.792 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.104 -2.686 5.391 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.403 -2.085 7.039 1.00 0.00 H new ATOM 214 N LYS A 13 -14.004 -3.952 4.960 1.00 0.00 N ATOM 215 CA LYS A 13 -15.333 -3.396 4.723 1.00 0.00 C ATOM 216 C LYS A 13 -16.011 -3.000 6.035 1.00 0.00 C ATOM 217 O LYS A 13 -16.419 -3.856 6.820 1.00 0.00 O ATOM 218 CB LYS A 13 -16.211 -4.396 3.966 1.00 0.00 C ATOM 219 CG LYS A 13 -16.802 -3.836 2.681 1.00 0.00 C ATOM 220 CD LYS A 13 -17.799 -4.800 2.055 1.00 0.00 C ATOM 221 CE LYS A 13 -19.130 -4.123 1.775 1.00 0.00 C ATOM 222 NZ LYS A 13 -20.192 -5.108 1.427 1.00 0.00 N ATOM 0 H LYS A 13 -13.998 -4.901 5.334 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.210 -2.500 4.115 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.619 -5.280 3.729 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -17.022 -4.721 4.618 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -17.295 -2.887 2.890 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -16.001 -3.629 1.972 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -17.389 -5.196 1.126 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -17.954 -5.648 2.722 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -19.438 -3.551 2.651 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -19.011 -3.413 0.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -21.084 -4.606 1.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -19.910 -5.636 0.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -20.324 -5.770 2.218 1.00 0.00 H new ATOM 236 N ASN A 14 -16.143 -1.693 6.256 1.00 0.00 N ATOM 237 CA ASN A 14 -16.785 -1.175 7.461 1.00 0.00 C ATOM 238 C ASN A 14 -16.004 -1.548 8.719 1.00 0.00 C ATOM 239 O ASN A 14 -16.594 -1.798 9.772 1.00 0.00 O ATOM 240 CB ASN A 14 -18.219 -1.704 7.561 1.00 0.00 C ATOM 241 CG ASN A 14 -19.256 -0.638 7.262 1.00 0.00 C ATOM 242 OD1 ASN A 14 -19.330 0.380 7.951 1.00 0.00 O ATOM 243 ND2 ASN A 14 -20.062 -0.870 6.233 1.00 0.00 N ATOM 0 H ASN A 14 -15.813 -0.973 5.614 1.00 0.00 H new ATOM 0 HA ASN A 14 -16.802 -0.088 7.387 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -18.346 -2.534 6.866 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -18.388 -2.099 8.563 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -20.780 -0.190 5.984 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -19.963 -1.728 5.691 1.00 0.00 H new ATOM 250 N GLY A 15 -14.681 -1.599 8.607 1.00 0.00 N ATOM 251 CA GLY A 15 -13.866 -1.959 9.747 1.00 0.00 C ATOM 252 C GLY A 15 -13.866 -3.451 9.973 1.00 0.00 C ATOM 253 O GLY A 15 -13.668 -3.924 11.093 1.00 0.00 O ATOM 0 H GLY A 15 -14.163 -1.398 7.752 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.844 -1.613 9.590 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.240 -1.454 10.638 1.00 0.00 H new ATOM 257 N GLU A 16 -14.091 -4.197 8.896 1.00 0.00 N ATOM 258 CA GLU A 16 -14.119 -5.644 8.963 1.00 0.00 C ATOM 259 C GLU A 16 -13.519 -6.231 7.697 1.00 0.00 C ATOM 260 O GLU A 16 -14.026 -6.017 6.596 1.00 0.00 O ATOM 261 CB GLU A 16 -15.552 -6.149 9.151 1.00 0.00 C ATOM 262 CG GLU A 16 -16.052 -6.041 10.582 1.00 0.00 C ATOM 263 CD GLU A 16 -15.966 -7.359 11.329 1.00 0.00 C ATOM 264 OE1 GLU A 16 -14.857 -7.709 11.788 1.00 0.00 O ATOM 265 OE2 GLU A 16 -17.005 -8.038 11.456 1.00 0.00 O ATOM 0 H GLU A 16 -14.257 -3.816 7.965 1.00 0.00 H new ATOM 0 HA GLU A 16 -13.528 -5.964 9.821 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.217 -5.582 8.499 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -15.606 -7.190 8.834 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -15.468 -5.288 11.112 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -17.086 -5.697 10.577 1.00 0.00 H new ATOM 272 N THR A 17 -12.423 -6.957 7.858 1.00 0.00 N ATOM 273 CA THR A 17 -11.731 -7.558 6.730 1.00 0.00 C ATOM 274 C THR A 17 -12.683 -8.366 5.847 1.00 0.00 C ATOM 275 O THR A 17 -13.365 -9.276 6.319 1.00 0.00 O ATOM 276 CB THR A 17 -10.599 -8.456 7.225 1.00 0.00 C ATOM 277 OG1 THR A 17 -10.187 -8.074 8.525 1.00 0.00 O ATOM 278 CG2 THR A 17 -9.381 -8.429 6.331 1.00 0.00 C ATOM 0 H THR A 17 -11.993 -7.144 8.764 1.00 0.00 H new ATOM 0 HA THR A 17 -11.319 -6.748 6.128 1.00 0.00 H new ATOM 0 HB THR A 17 -11.009 -9.466 7.222 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.876 -8.864 9.015 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.615 -9.088 6.740 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.655 -8.767 5.332 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.993 -7.412 6.276 1.00 0.00 H new ATOM 286 N ILE A 18 -12.701 -8.038 4.558 1.00 0.00 N ATOM 287 CA ILE A 18 -13.544 -8.743 3.593 1.00 0.00 C ATOM 288 C ILE A 18 -12.703 -9.717 2.788 1.00 0.00 C ATOM 289 O ILE A 18 -13.042 -10.891 2.644 1.00 0.00 O ATOM 290 CB ILE A 18 -14.253 -7.786 2.601 1.00 0.00 C ATOM 291 CG1 ILE A 18 -13.665 -6.376 2.675 1.00 0.00 C ATOM 292 CG2 ILE A 18 -15.749 -7.754 2.863 1.00 0.00 C ATOM 293 CD1 ILE A 18 -14.269 -5.419 1.672 1.00 0.00 C ATOM 0 H ILE A 18 -12.140 -7.287 4.155 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.308 -9.262 4.172 1.00 0.00 H new ATOM 0 HB ILE A 18 -14.086 -8.167 1.594 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -13.815 -5.980 3.679 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -12.589 -6.430 2.511 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -16.228 -7.076 2.156 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -16.161 -8.756 2.742 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -15.933 -7.407 3.880 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -13.806 -4.438 1.780 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -14.096 -5.793 0.663 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -15.341 -5.335 1.849 1.00 0.00 H new ATOM 305 N SER A 19 -11.595 -9.208 2.270 1.00 0.00 N ATOM 306 CA SER A 19 -10.676 -10.013 1.472 1.00 0.00 C ATOM 307 C SER A 19 -9.288 -10.032 2.104 1.00 0.00 C ATOM 308 O SER A 19 -9.040 -9.337 3.092 1.00 0.00 O ATOM 309 CB SER A 19 -10.596 -9.478 0.043 1.00 0.00 C ATOM 310 OG SER A 19 -9.861 -8.275 -0.010 1.00 0.00 O ATOM 0 H SER A 19 -11.308 -8.236 2.388 1.00 0.00 H new ATOM 0 HA SER A 19 -11.058 -11.034 1.442 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.128 -10.222 -0.601 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.602 -9.310 -0.342 1.00 0.00 H new ATOM 0 HG SER A 19 -10.091 -7.787 -0.828 1.00 0.00 H new ATOM 316 N SER A 20 -8.384 -10.827 1.535 1.00 0.00 N ATOM 317 CA SER A 20 -7.029 -10.925 2.065 1.00 0.00 C ATOM 318 C SER A 20 -6.108 -11.694 1.126 1.00 0.00 C ATOM 319 O SER A 20 -6.460 -12.759 0.620 1.00 0.00 O ATOM 320 CB SER A 20 -7.051 -11.603 3.437 1.00 0.00 C ATOM 321 OG SER A 20 -7.530 -12.933 3.341 1.00 0.00 O ATOM 0 H SER A 20 -8.564 -11.407 0.715 1.00 0.00 H new ATOM 0 HA SER A 20 -6.639 -9.912 2.161 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.047 -11.605 3.861 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.684 -11.033 4.117 1.00 0.00 H new ATOM 0 HG SER A 20 -7.533 -13.345 4.230 1.00 0.00 H new ATOM 327 N CYS A 21 -4.917 -11.143 0.914 1.00 0.00 N ATOM 328 CA CYS A 21 -3.918 -11.765 0.053 1.00 0.00 C ATOM 329 C CYS A 21 -2.620 -11.944 0.830 1.00 0.00 C ATOM 330 O CYS A 21 -1.631 -11.260 0.574 1.00 0.00 O ATOM 331 CB CYS A 21 -3.675 -10.899 -1.186 1.00 0.00 C ATOM 332 SG CYS A 21 -2.305 -11.450 -2.233 1.00 0.00 S ATOM 0 H CYS A 21 -4.619 -10.261 1.330 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.281 -12.740 -0.272 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.586 -10.879 -1.784 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.481 -9.875 -0.865 1.00 0.00 H new ATOM 0 HG CYS A 21 -1.247 -11.637 -1.501 1.00 0.00 H new ATOM 338 N PHE A 22 -2.645 -12.853 1.793 1.00 0.00 N ATOM 339 CA PHE A 22 -1.486 -13.105 2.633 1.00 0.00 C ATOM 340 C PHE A 22 -0.831 -14.431 2.277 1.00 0.00 C ATOM 341 O PHE A 22 -1.317 -15.497 2.656 1.00 0.00 O ATOM 342 CB PHE A 22 -1.904 -13.085 4.107 1.00 0.00 C ATOM 343 CG PHE A 22 -2.311 -11.715 4.572 1.00 0.00 C ATOM 344 CD1 PHE A 22 -3.232 -10.972 3.851 1.00 0.00 C ATOM 345 CD2 PHE A 22 -1.753 -11.155 5.713 1.00 0.00 C ATOM 346 CE1 PHE A 22 -3.587 -9.702 4.250 1.00 0.00 C ATOM 347 CE2 PHE A 22 -2.115 -9.882 6.118 1.00 0.00 C ATOM 348 CZ PHE A 22 -3.028 -9.158 5.384 1.00 0.00 C ATOM 0 H PHE A 22 -3.458 -13.429 2.012 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.752 -12.318 2.461 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.733 -13.777 4.255 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.077 -13.443 4.721 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.678 -11.395 2.963 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.032 -11.716 6.288 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.303 -9.134 3.674 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.681 -9.456 7.011 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.306 -8.163 5.698 1.00 0.00 H new ATOM 358 N GLN A 23 0.274 -14.360 1.537 1.00 0.00 N ATOM 359 CA GLN A 23 0.979 -15.571 1.131 1.00 0.00 C ATOM 360 C GLN A 23 2.494 -15.371 1.133 1.00 0.00 C ATOM 361 O GLN A 23 2.987 -14.289 0.814 1.00 0.00 O ATOM 362 CB GLN A 23 0.517 -16.010 -0.260 1.00 0.00 C ATOM 363 CG GLN A 23 0.595 -14.906 -1.304 1.00 0.00 C ATOM 364 CD GLN A 23 -0.548 -14.964 -2.298 1.00 0.00 C ATOM 365 OE1 GLN A 23 -1.450 -15.791 -2.177 1.00 0.00 O ATOM 366 NE2 GLN A 23 -0.513 -14.082 -3.292 1.00 0.00 N ATOM 0 H GLN A 23 0.695 -13.490 1.211 1.00 0.00 H new ATOM 0 HA GLN A 23 0.741 -16.348 1.857 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.127 -16.852 -0.587 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.511 -16.367 -0.197 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.589 -13.937 -0.805 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.542 -14.983 -1.839 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.255 -13.413 -3.354 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -1.254 -14.074 -3.993 1.00 0.00 H new ATOM 587 N ASN A 38 9.961 -13.489 8.936 1.00 0.00 N ATOM 588 CA ASN A 38 8.782 -12.684 8.634 1.00 0.00 C ATOM 589 C ASN A 38 7.727 -13.517 7.918 1.00 0.00 C ATOM 590 O ASN A 38 6.961 -13.000 7.103 1.00 0.00 O ATOM 591 CB ASN A 38 9.168 -11.478 7.776 1.00 0.00 C ATOM 592 CG ASN A 38 10.422 -10.785 8.276 1.00 0.00 C ATOM 593 OD1 ASN A 38 10.535 -10.455 9.455 1.00 0.00 O ATOM 594 ND2 ASN A 38 11.373 -10.561 7.377 1.00 0.00 N ATOM 0 HA ASN A 38 8.362 -12.330 9.575 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.322 -11.803 6.747 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.343 -10.765 7.765 1.00 0.00 H new ATOM 0 HD21 ASN A 38 12.239 -10.099 7.655 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.238 -10.851 6.409 1.00 0.00 H new ATOM 601 N GLU A 39 7.685 -14.808 8.232 1.00 0.00 N ATOM 602 CA GLU A 39 6.719 -15.712 7.621 1.00 0.00 C ATOM 603 C GLU A 39 5.969 -16.506 8.687 1.00 0.00 C ATOM 604 O GLU A 39 5.487 -17.610 8.437 1.00 0.00 O ATOM 605 CB GLU A 39 7.420 -16.657 6.643 1.00 0.00 C ATOM 606 CG GLU A 39 6.471 -17.559 5.870 1.00 0.00 C ATOM 607 CD GLU A 39 7.111 -18.148 4.628 1.00 0.00 C ATOM 608 OE1 GLU A 39 6.609 -19.177 4.132 1.00 0.00 O ATOM 609 OE2 GLU A 39 8.115 -17.577 4.152 1.00 0.00 O ATOM 0 H GLU A 39 8.309 -15.251 8.906 1.00 0.00 H new ATOM 0 HA GLU A 39 5.993 -15.115 7.069 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.001 -16.066 5.935 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.126 -17.277 7.195 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.134 -18.367 6.519 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.586 -16.990 5.584 1.00 0.00 H new ATOM 616 N GLN A 40 5.866 -15.921 9.875 1.00 0.00 N ATOM 617 CA GLN A 40 5.165 -16.551 10.991 1.00 0.00 C ATOM 618 C GLN A 40 3.916 -15.752 11.345 1.00 0.00 C ATOM 619 O GLN A 40 2.894 -16.311 11.745 1.00 0.00 O ATOM 620 CB GLN A 40 6.086 -16.656 12.209 1.00 0.00 C ATOM 621 CG GLN A 40 7.487 -17.137 11.874 1.00 0.00 C ATOM 622 CD GLN A 40 8.342 -17.346 13.109 1.00 0.00 C ATOM 623 OE1 GLN A 40 8.071 -18.226 13.925 1.00 0.00 O ATOM 624 NE2 GLN A 40 9.384 -16.534 13.251 1.00 0.00 N ATOM 0 H GLN A 40 6.261 -15.006 10.092 1.00 0.00 H new ATOM 0 HA GLN A 40 4.868 -17.556 10.692 1.00 0.00 H new ATOM 0 HB2 GLN A 40 6.152 -15.680 12.689 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.640 -17.338 12.933 1.00 0.00 H new ATOM 0 HG2 GLN A 40 7.423 -18.072 11.318 1.00 0.00 H new ATOM 0 HG3 GLN A 40 7.970 -16.411 11.221 1.00 0.00 H new ATOM 0 HE21 GLN A 40 9.572 -15.818 12.550 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.996 -16.627 14.061 1.00 0.00 H new ATOM 633 N ILE A 41 4.009 -14.436 11.176 1.00 0.00 N ATOM 634 CA ILE A 41 2.898 -13.532 11.452 1.00 0.00 C ATOM 635 C ILE A 41 1.640 -13.982 10.712 1.00 0.00 C ATOM 636 O ILE A 41 1.677 -14.252 9.512 1.00 0.00 O ATOM 637 CB ILE A 41 3.258 -12.099 11.024 1.00 0.00 C ATOM 638 CG1 ILE A 41 4.586 -11.658 11.663 1.00 0.00 C ATOM 639 CG2 ILE A 41 2.133 -11.137 11.369 1.00 0.00 C ATOM 640 CD1 ILE A 41 4.434 -10.926 12.981 1.00 0.00 C ATOM 0 H ILE A 41 4.853 -13.968 10.845 1.00 0.00 H new ATOM 0 HA ILE A 41 2.704 -13.551 12.524 1.00 0.00 H new ATOM 0 HB ILE A 41 3.388 -12.085 9.942 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.210 -12.538 11.820 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.116 -11.013 10.962 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.408 -10.129 11.058 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.223 -11.441 10.852 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.960 -11.150 12.445 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.418 -10.652 13.361 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.839 -10.025 12.830 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.935 -11.574 13.702 1.00 0.00 H new ATOM 652 N THR A 42 0.527 -14.063 11.436 1.00 0.00 N ATOM 653 CA THR A 42 -0.741 -14.484 10.851 1.00 0.00 C ATOM 654 C THR A 42 -1.528 -13.280 10.346 1.00 0.00 C ATOM 655 O THR A 42 -1.403 -12.182 10.885 1.00 0.00 O ATOM 656 CB THR A 42 -1.581 -15.253 11.881 1.00 0.00 C ATOM 657 OG1 THR A 42 -2.767 -15.759 11.297 1.00 0.00 O ATOM 658 CG2 THR A 42 -1.977 -14.423 13.078 1.00 0.00 C ATOM 0 H THR A 42 0.478 -13.842 12.431 1.00 0.00 H new ATOM 0 HA THR A 42 -0.521 -15.141 10.009 1.00 0.00 H new ATOM 0 HB THR A 42 -0.935 -16.063 12.220 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.283 -16.246 11.973 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.568 -15.031 13.763 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.081 -14.069 13.588 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.568 -13.569 12.749 1.00 0.00 H new ATOM 666 N PRO A 43 -2.364 -13.470 9.311 1.00 0.00 N ATOM 667 CA PRO A 43 -3.183 -12.390 8.759 1.00 0.00 C ATOM 668 C PRO A 43 -3.882 -11.603 9.862 1.00 0.00 C ATOM 669 O PRO A 43 -4.195 -10.427 9.703 1.00 0.00 O ATOM 670 CB PRO A 43 -4.199 -13.131 7.889 1.00 0.00 C ATOM 671 CG PRO A 43 -3.498 -14.379 7.475 1.00 0.00 C ATOM 672 CD PRO A 43 -2.590 -14.751 8.612 1.00 0.00 C ATOM 0 HA PRO A 43 -2.597 -11.656 8.206 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.110 -13.353 8.445 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.491 -12.535 7.025 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.212 -15.177 7.271 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -2.929 -14.219 6.559 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.051 -15.489 9.268 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.655 -15.182 8.254 1.00 0.00 H new ATOM 680 N VAL A 44 -4.097 -12.277 10.989 1.00 0.00 N ATOM 681 CA VAL A 44 -4.733 -11.691 12.162 1.00 0.00 C ATOM 682 C VAL A 44 -3.852 -10.611 12.768 1.00 0.00 C ATOM 683 O VAL A 44 -4.340 -9.582 13.222 1.00 0.00 O ATOM 684 CB VAL A 44 -4.969 -12.771 13.215 1.00 0.00 C ATOM 685 CG1 VAL A 44 -5.495 -12.192 14.514 1.00 0.00 C ATOM 686 CG2 VAL A 44 -5.888 -13.857 12.682 1.00 0.00 C ATOM 0 H VAL A 44 -3.832 -13.254 11.113 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.681 -11.252 11.850 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.003 -13.225 13.438 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.649 -12.995 15.235 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.773 -11.479 14.913 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.442 -11.684 14.329 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.040 -14.614 13.451 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.848 -13.419 12.408 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.436 -14.318 11.804 1.00 0.00 H new ATOM 696 N ILE A 45 -2.546 -10.854 12.769 1.00 0.00 N ATOM 697 CA ILE A 45 -1.599 -9.892 13.311 1.00 0.00 C ATOM 698 C ILE A 45 -1.723 -8.596 12.544 1.00 0.00 C ATOM 699 O ILE A 45 -1.772 -7.509 13.121 1.00 0.00 O ATOM 700 CB ILE A 45 -0.149 -10.388 13.205 1.00 0.00 C ATOM 701 CG1 ILE A 45 -0.027 -11.857 13.607 1.00 0.00 C ATOM 702 CG2 ILE A 45 0.779 -9.519 14.040 1.00 0.00 C ATOM 703 CD1 ILE A 45 -0.423 -12.141 15.033 1.00 0.00 C ATOM 0 H ILE A 45 -2.122 -11.706 12.402 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.833 -9.751 14.366 1.00 0.00 H new ATOM 0 HB ILE A 45 0.152 -10.308 12.160 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.649 -12.457 12.942 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.003 -12.179 13.457 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.801 -9.888 13.951 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.732 -8.490 13.684 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.470 -9.556 15.085 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.308 -13.205 15.238 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.215 -11.571 15.708 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.463 -11.853 15.186 1.00 0.00 H new ATOM 715 N PHE A 46 -1.805 -8.734 11.233 1.00 0.00 N ATOM 716 CA PHE A 46 -1.961 -7.596 10.360 1.00 0.00 C ATOM 717 C PHE A 46 -3.394 -7.103 10.435 1.00 0.00 C ATOM 718 O PHE A 46 -3.649 -5.902 10.457 1.00 0.00 O ATOM 719 CB PHE A 46 -1.626 -7.972 8.919 1.00 0.00 C ATOM 720 CG PHE A 46 -0.374 -8.789 8.763 1.00 0.00 C ATOM 721 CD1 PHE A 46 0.824 -8.182 8.430 1.00 0.00 C ATOM 722 CD2 PHE A 46 -0.401 -10.166 8.917 1.00 0.00 C ATOM 723 CE1 PHE A 46 1.972 -8.929 8.256 1.00 0.00 C ATOM 724 CE2 PHE A 46 0.745 -10.919 8.748 1.00 0.00 C ATOM 725 CZ PHE A 46 1.933 -10.300 8.415 1.00 0.00 C ATOM 0 H PHE A 46 -1.765 -9.632 10.751 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.278 -6.809 10.681 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.463 -8.529 8.498 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.524 -7.059 8.333 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.862 -7.110 8.305 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.329 -10.656 9.172 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.900 -8.441 7.996 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.711 -11.991 8.876 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.830 -10.887 8.279 1.00 0.00 H new ATOM 735 N HIS A 47 -4.335 -8.046 10.487 1.00 0.00 N ATOM 736 CA HIS A 47 -5.746 -7.702 10.565 1.00 0.00 C ATOM 737 C HIS A 47 -6.031 -6.941 11.854 1.00 0.00 C ATOM 738 O HIS A 47 -6.919 -6.094 11.899 1.00 0.00 O ATOM 739 CB HIS A 47 -6.613 -8.971 10.455 1.00 0.00 C ATOM 740 CG HIS A 47 -7.722 -9.064 11.460 1.00 0.00 C ATOM 741 ND1 HIS A 47 -9.052 -9.175 11.113 1.00 0.00 N ATOM 742 CD2 HIS A 47 -7.684 -9.071 12.810 1.00 0.00 C ATOM 743 CE1 HIS A 47 -9.784 -9.247 12.208 1.00 0.00 C ATOM 744 NE2 HIS A 47 -8.979 -9.187 13.254 1.00 0.00 N ATOM 0 H HIS A 47 -4.143 -9.048 10.476 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.002 -7.052 9.729 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -7.044 -9.014 9.455 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -5.970 -9.844 10.563 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -6.800 -8.999 13.426 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -10.859 -9.339 12.244 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -9.271 -9.221 14.231 1.00 0.00 H new ATOM 753 N ASN A 48 -5.259 -7.237 12.893 1.00 0.00 N ATOM 754 CA ASN A 48 -5.427 -6.566 14.171 1.00 0.00 C ATOM 755 C ASN A 48 -4.597 -5.295 14.186 1.00 0.00 C ATOM 756 O ASN A 48 -4.963 -4.307 14.819 1.00 0.00 O ATOM 757 CB ASN A 48 -5.023 -7.483 15.328 1.00 0.00 C ATOM 758 CG ASN A 48 -6.206 -8.234 15.908 1.00 0.00 C ATOM 759 OD1 ASN A 48 -7.344 -7.769 15.843 1.00 0.00 O ATOM 760 ND2 ASN A 48 -5.941 -9.403 16.479 1.00 0.00 N ATOM 0 H ASN A 48 -4.515 -7.934 12.874 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.479 -6.312 14.300 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.278 -8.198 14.979 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.553 -6.889 16.112 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -6.696 -9.954 16.886 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.982 -9.750 16.510 1.00 0.00 H new ATOM 767 N LEU A 49 -3.494 -5.315 13.443 1.00 0.00 N ATOM 768 CA LEU A 49 -2.638 -4.147 13.321 1.00 0.00 C ATOM 769 C LEU A 49 -3.464 -3.047 12.693 1.00 0.00 C ATOM 770 O LEU A 49 -3.698 -1.992 13.274 1.00 0.00 O ATOM 771 CB LEU A 49 -1.447 -4.464 12.415 1.00 0.00 C ATOM 772 CG LEU A 49 -0.129 -4.727 13.127 1.00 0.00 C ATOM 773 CD1 LEU A 49 1.019 -4.623 12.143 1.00 0.00 C ATOM 774 CD2 LEU A 49 0.053 -3.748 14.270 1.00 0.00 C ATOM 0 H LEU A 49 -3.175 -6.129 12.918 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.261 -3.847 14.299 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.694 -5.338 11.813 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.307 -3.632 11.726 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.141 -5.736 13.540 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.960 -4.813 12.660 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.886 -5.359 11.350 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.038 -3.623 11.710 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.000 -3.947 14.772 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.055 -2.730 13.880 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.765 -3.863 14.981 1.00 0.00 H new ATOM 786 N ILE A 50 -3.931 -3.361 11.501 1.00 0.00 N ATOM 787 CA ILE A 50 -4.795 -2.481 10.727 1.00 0.00 C ATOM 788 C ILE A 50 -5.963 -2.013 11.583 1.00 0.00 C ATOM 789 O ILE A 50 -6.131 -0.828 11.862 1.00 0.00 O ATOM 790 CB ILE A 50 -5.390 -3.239 9.519 1.00 0.00 C ATOM 791 CG1 ILE A 50 -4.311 -3.932 8.706 1.00 0.00 C ATOM 792 CG2 ILE A 50 -6.215 -2.319 8.635 1.00 0.00 C ATOM 793 CD1 ILE A 50 -4.787 -5.247 8.126 1.00 0.00 C ATOM 0 H ILE A 50 -3.721 -4.243 11.034 1.00 0.00 H new ATOM 0 HA ILE A 50 -4.195 -1.635 10.392 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.052 -4.006 9.921 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.990 -3.275 7.897 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.440 -4.109 9.337 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.618 -2.886 7.796 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.036 -1.897 9.215 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.584 -1.513 8.259 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.981 -5.705 7.553 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.083 -5.915 8.935 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.641 -5.069 7.472 1.00 0.00 H new ATOM 805 N MET A 51 -6.770 -2.988 11.972 1.00 0.00 N ATOM 806 CA MET A 51 -7.961 -2.779 12.778 1.00 0.00 C ATOM 807 C MET A 51 -7.689 -1.975 14.052 1.00 0.00 C ATOM 808 O MET A 51 -8.492 -1.124 14.438 1.00 0.00 O ATOM 809 CB MET A 51 -8.537 -4.152 13.128 1.00 0.00 C ATOM 810 CG MET A 51 -9.996 -4.117 13.558 1.00 0.00 C ATOM 811 SD MET A 51 -10.993 -5.398 12.766 1.00 0.00 S ATOM 812 CE MET A 51 -10.263 -5.446 11.131 1.00 0.00 C ATOM 0 H MET A 51 -6.611 -3.966 11.731 1.00 0.00 H new ATOM 0 HA MET A 51 -8.671 -2.188 12.199 1.00 0.00 H new ATOM 0 HB2 MET A 51 -8.439 -4.808 12.263 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.943 -4.591 13.929 1.00 0.00 H new ATOM 0 HG2 MET A 51 -10.054 -4.236 14.640 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.416 -3.139 13.322 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.977 -5.872 10.426 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.003 -4.434 10.819 1.00 0.00 H new ATOM 0 HE3 MET A 51 -9.363 -6.061 11.152 1.00 0.00 H new ATOM 822 N ASP A 52 -6.581 -2.270 14.722 1.00 0.00 N ATOM 823 CA ASP A 52 -6.238 -1.595 15.977 1.00 0.00 C ATOM 824 C ASP A 52 -5.383 -0.341 15.782 1.00 0.00 C ATOM 825 O ASP A 52 -5.313 0.504 16.675 1.00 0.00 O ATOM 826 CB ASP A 52 -5.511 -2.567 16.907 1.00 0.00 C ATOM 827 CG ASP A 52 -5.609 -2.158 18.364 1.00 0.00 C ATOM 828 OD1 ASP A 52 -4.628 -2.367 19.106 1.00 0.00 O ATOM 829 OD2 ASP A 52 -6.669 -1.628 18.760 1.00 0.00 O ATOM 0 H ASP A 52 -5.903 -2.970 14.421 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.180 -1.269 16.419 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.931 -3.565 16.784 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.461 -2.625 16.619 1.00 0.00 H new ATOM 834 N MET A 53 -4.709 -0.227 14.644 1.00 0.00 N ATOM 835 CA MET A 53 -3.840 0.925 14.396 1.00 0.00 C ATOM 836 C MET A 53 -4.292 1.748 13.192 1.00 0.00 C ATOM 837 O MET A 53 -4.583 2.937 13.318 1.00 0.00 O ATOM 838 CB MET A 53 -2.400 0.458 14.181 1.00 0.00 C ATOM 839 CG MET A 53 -1.850 -0.369 15.333 1.00 0.00 C ATOM 840 SD MET A 53 -1.337 0.644 16.733 1.00 0.00 S ATOM 841 CE MET A 53 -0.195 1.772 15.937 1.00 0.00 C ATOM 0 H MET A 53 -4.744 -0.907 13.885 1.00 0.00 H new ATOM 0 HA MET A 53 -3.900 1.566 15.276 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.351 -0.132 13.266 1.00 0.00 H new ATOM 0 HB3 MET A 53 -1.762 1.330 14.033 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.610 -1.078 15.662 1.00 0.00 H new ATOM 0 HG3 MET A 53 -1.000 -0.954 14.982 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.620 2.007 16.621 1.00 0.00 H new ATOM 0 HE2 MET A 53 0.208 1.307 15.038 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.718 2.689 15.667 1.00 0.00 H new ATOM 851 N VAL A 54 -4.333 1.116 12.026 1.00 0.00 N ATOM 852 CA VAL A 54 -4.728 1.799 10.800 1.00 0.00 C ATOM 853 C VAL A 54 -6.175 2.286 10.857 1.00 0.00 C ATOM 854 O VAL A 54 -6.441 3.480 10.728 1.00 0.00 O ATOM 855 CB VAL A 54 -4.547 0.885 9.573 1.00 0.00 C ATOM 856 CG1 VAL A 54 -5.027 1.573 8.304 1.00 0.00 C ATOM 857 CG2 VAL A 54 -3.092 0.456 9.436 1.00 0.00 C ATOM 0 H VAL A 54 -4.098 0.131 11.903 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.075 2.667 10.704 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.156 -0.006 9.722 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.888 0.906 7.453 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.084 1.820 8.402 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.454 2.486 8.146 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.983 -0.189 8.564 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.462 1.338 9.316 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.787 -0.088 10.330 1.00 0.00 H new ATOM 867 N LEU A 55 -7.110 1.354 11.027 1.00 0.00 N ATOM 868 CA LEU A 55 -8.533 1.688 11.074 1.00 0.00 C ATOM 869 C LEU A 55 -8.812 2.910 11.943 1.00 0.00 C ATOM 870 O LEU A 55 -9.432 3.869 11.487 1.00 0.00 O ATOM 871 CB LEU A 55 -9.344 0.489 11.553 1.00 0.00 C ATOM 872 CG LEU A 55 -9.741 -0.484 10.448 1.00 0.00 C ATOM 873 CD1 LEU A 55 -10.939 0.032 9.676 1.00 0.00 C ATOM 874 CD2 LEU A 55 -8.573 -0.736 9.509 1.00 0.00 C ATOM 0 H LEU A 55 -6.908 0.360 11.135 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.840 1.942 10.060 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.765 -0.049 12.304 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.247 0.850 12.045 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.018 -1.429 10.916 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.202 -0.680 8.894 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.784 0.155 10.354 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.694 0.993 9.224 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.878 -1.433 8.728 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.262 0.205 9.055 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.740 -1.161 10.070 1.00 0.00 H new ATOM 886 N PRO A 56 -8.350 2.908 13.205 1.00 0.00 N ATOM 887 CA PRO A 56 -8.555 4.039 14.114 1.00 0.00 C ATOM 888 C PRO A 56 -7.793 5.291 13.671 1.00 0.00 C ATOM 889 O PRO A 56 -7.807 6.305 14.366 1.00 0.00 O ATOM 890 CB PRO A 56 -8.012 3.537 15.461 1.00 0.00 C ATOM 891 CG PRO A 56 -7.860 2.061 15.305 1.00 0.00 C ATOM 892 CD PRO A 56 -7.597 1.826 13.848 1.00 0.00 C ATOM 0 HA PRO A 56 -9.603 4.336 14.149 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.058 4.007 15.699 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.697 3.777 16.274 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -7.038 1.686 15.915 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -8.761 1.539 15.628 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.534 1.879 13.615 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.945 0.844 13.527 1.00 0.00 H new ATOM 900 N LYS A 57 -7.132 5.220 12.512 1.00 0.00 N ATOM 901 CA LYS A 57 -6.382 6.358 12.000 1.00 0.00 C ATOM 902 C LYS A 57 -6.316 6.303 10.481 1.00 0.00 C ATOM 903 O LYS A 57 -5.370 6.798 9.866 1.00 0.00 O ATOM 904 CB LYS A 57 -4.970 6.378 12.591 1.00 0.00 C ATOM 905 CG LYS A 57 -4.747 7.497 13.595 1.00 0.00 C ATOM 906 CD LYS A 57 -4.810 8.862 12.929 1.00 0.00 C ATOM 907 CE LYS A 57 -6.178 9.507 13.102 1.00 0.00 C ATOM 908 NZ LYS A 57 -6.940 9.552 11.823 1.00 0.00 N ATOM 0 H LYS A 57 -7.104 4.391 11.918 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.894 7.273 12.296 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.774 5.422 13.076 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.247 6.478 11.781 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.501 7.439 14.380 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.777 7.369 14.075 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.045 9.511 13.355 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.587 8.760 11.867 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.750 8.951 13.845 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.055 10.519 13.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.936 10.523 11.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.496 8.914 11.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.921 9.250 11.992 1.00 0.00 H new ATOM 922 N VAL A 58 -7.330 5.688 9.884 1.00 0.00 N ATOM 923 CA VAL A 58 -7.398 5.550 8.440 1.00 0.00 C ATOM 924 C VAL A 58 -7.983 6.799 7.802 1.00 0.00 C ATOM 925 O VAL A 58 -8.797 7.501 8.403 1.00 0.00 O ATOM 926 CB VAL A 58 -8.241 4.324 8.041 1.00 0.00 C ATOM 927 CG1 VAL A 58 -9.717 4.564 8.324 1.00 0.00 C ATOM 928 CG2 VAL A 58 -8.031 3.973 6.575 1.00 0.00 C ATOM 0 H VAL A 58 -8.118 5.276 10.383 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.380 5.411 8.077 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.909 3.480 8.646 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.291 3.684 8.034 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -9.857 4.754 9.388 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -10.061 5.426 7.753 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.637 3.104 6.318 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.326 4.818 5.953 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.979 3.745 6.402 1.00 0.00 H new ATOM 938 N VAL A 59 -7.562 7.068 6.578 1.00 0.00 N ATOM 939 CA VAL A 59 -8.036 8.228 5.844 1.00 0.00 C ATOM 940 C VAL A 59 -9.072 7.815 4.810 1.00 0.00 C ATOM 941 O VAL A 59 -8.899 6.805 4.128 1.00 0.00 O ATOM 942 CB VAL A 59 -6.882 8.934 5.107 1.00 0.00 C ATOM 943 CG1 VAL A 59 -7.295 10.334 4.682 1.00 0.00 C ATOM 944 CG2 VAL A 59 -5.624 8.978 5.962 1.00 0.00 C ATOM 0 H VAL A 59 -6.889 6.495 6.069 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.475 8.910 6.572 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.654 8.356 4.212 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.466 10.816 4.163 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.155 10.273 4.015 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.560 10.918 5.563 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.829 9.482 5.413 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.830 9.521 6.884 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.311 7.962 6.202 1.00 0.00 H new ATOM 1052 N VAL A 66 -4.041 4.925 -1.139 1.00 0.00 N ATOM 1053 CA VAL A 66 -3.017 4.080 -0.534 1.00 0.00 C ATOM 1054 C VAL A 66 -2.069 4.901 0.334 1.00 0.00 C ATOM 1055 O VAL A 66 -0.961 5.234 -0.087 1.00 0.00 O ATOM 1056 CB VAL A 66 -2.198 3.348 -1.612 1.00 0.00 C ATOM 1057 CG1 VAL A 66 -1.456 2.161 -1.019 1.00 0.00 C ATOM 1058 CG2 VAL A 66 -3.102 2.910 -2.759 1.00 0.00 C ATOM 0 HA VAL A 66 -3.532 3.348 0.088 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.454 4.040 -2.007 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.885 1.661 -1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.777 2.508 -0.240 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.173 1.461 -0.590 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.508 2.394 -3.513 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.871 2.237 -2.380 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.574 3.785 -3.205 1.00 0.00 H new ATOM 1068 N THR A 67 -2.509 5.229 1.543 1.00 0.00 N ATOM 1069 CA THR A 67 -1.694 6.015 2.462 1.00 0.00 C ATOM 1070 C THR A 67 -1.040 5.129 3.515 1.00 0.00 C ATOM 1071 O THR A 67 -1.705 4.321 4.164 1.00 0.00 O ATOM 1072 CB THR A 67 -2.544 7.086 3.138 1.00 0.00 C ATOM 1073 OG1 THR A 67 -3.084 7.978 2.179 1.00 0.00 O ATOM 1074 CG2 THR A 67 -1.781 7.910 4.153 1.00 0.00 C ATOM 0 H THR A 67 -3.423 4.964 1.909 1.00 0.00 H new ATOM 0 HA THR A 67 -0.905 6.495 1.883 1.00 0.00 H new ATOM 0 HB THR A 67 -3.331 6.540 3.658 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.627 8.656 2.632 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.447 8.652 4.594 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.396 7.257 4.936 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.950 8.416 3.661 1.00 0.00 H new ATOM 1082 N LYS A 68 0.267 5.293 3.687 1.00 0.00 N ATOM 1083 CA LYS A 68 1.014 4.516 4.668 1.00 0.00 C ATOM 1084 C LYS A 68 0.862 5.125 6.058 1.00 0.00 C ATOM 1085 O LYS A 68 0.963 6.338 6.227 1.00 0.00 O ATOM 1086 CB LYS A 68 2.493 4.448 4.284 1.00 0.00 C ATOM 1087 CG LYS A 68 3.121 3.082 4.513 1.00 0.00 C ATOM 1088 CD LYS A 68 4.603 3.086 4.171 1.00 0.00 C ATOM 1089 CE LYS A 68 5.457 3.449 5.377 1.00 0.00 C ATOM 1090 NZ LYS A 68 6.429 4.532 5.064 1.00 0.00 N ATOM 0 H LYS A 68 0.831 5.958 3.159 1.00 0.00 H new ATOM 0 HA LYS A 68 0.610 3.504 4.683 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.599 4.715 3.233 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.043 5.192 4.859 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.988 2.789 5.554 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.608 2.338 3.904 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.894 2.103 3.802 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.789 3.797 3.366 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.812 3.766 6.196 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.996 2.565 5.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.991 4.750 5.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.062 4.220 4.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.914 5.384 4.762 1.00 0.00 H new ATOM 1104 N MET A 69 0.616 4.275 7.049 1.00 0.00 N ATOM 1105 CA MET A 69 0.449 4.736 8.422 1.00 0.00 C ATOM 1106 C MET A 69 1.685 5.493 8.902 1.00 0.00 C ATOM 1107 O MET A 69 1.598 6.344 9.788 1.00 0.00 O ATOM 1108 CB MET A 69 0.165 3.552 9.350 1.00 0.00 C ATOM 1109 CG MET A 69 -1.298 3.430 9.738 1.00 0.00 C ATOM 1110 SD MET A 69 -1.523 2.890 11.443 1.00 0.00 S ATOM 1111 CE MET A 69 -2.282 4.347 12.153 1.00 0.00 C ATOM 0 H MET A 69 0.528 3.266 6.928 1.00 0.00 H new ATOM 0 HA MET A 69 -0.400 5.419 8.446 1.00 0.00 H new ATOM 0 HB2 MET A 69 0.482 2.631 8.860 1.00 0.00 H new ATOM 0 HB3 MET A 69 0.766 3.655 10.254 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.788 4.394 9.599 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.789 2.723 9.069 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.420 4.200 13.224 1.00 0.00 H new ATOM 0 HE2 MET A 69 -1.639 5.211 11.985 1.00 0.00 H new ATOM 0 HE3 MET A 69 -3.250 4.519 11.683 1.00 0.00 H new ATOM 1121 N SER A 70 2.836 5.177 8.315 1.00 0.00 N ATOM 1122 CA SER A 70 4.090 5.825 8.685 1.00 0.00 C ATOM 1123 C SER A 70 4.299 5.786 10.194 1.00 0.00 C ATOM 1124 O SER A 70 4.950 6.658 10.766 1.00 0.00 O ATOM 1125 CB SER A 70 4.108 7.273 8.191 1.00 0.00 C ATOM 1126 OG SER A 70 5.328 7.910 8.520 1.00 0.00 O ATOM 0 H SER A 70 2.926 4.475 7.580 1.00 0.00 H new ATOM 0 HA SER A 70 4.905 5.278 8.210 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.964 7.293 7.111 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.277 7.822 8.634 1.00 0.00 H new ATOM 0 HG SER A 70 5.563 7.707 9.449 1.00 0.00 H new ATOM 1132 N MET A 71 3.739 4.764 10.829 1.00 0.00 N ATOM 1133 CA MET A 71 3.858 4.601 12.274 1.00 0.00 C ATOM 1134 C MET A 71 4.805 3.455 12.619 1.00 0.00 C ATOM 1135 O MET A 71 5.294 3.362 13.745 1.00 0.00 O ATOM 1136 CB MET A 71 2.481 4.344 12.890 1.00 0.00 C ATOM 1137 CG MET A 71 2.514 4.139 14.395 1.00 0.00 C ATOM 1138 SD MET A 71 2.971 5.635 15.290 1.00 0.00 S ATOM 1139 CE MET A 71 1.356 6.307 15.674 1.00 0.00 C ATOM 0 H MET A 71 3.197 4.034 10.366 1.00 0.00 H new ATOM 0 HA MET A 71 4.270 5.522 12.687 1.00 0.00 H new ATOM 0 HB2 MET A 71 1.828 5.186 12.661 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.042 3.463 12.422 1.00 0.00 H new ATOM 0 HG2 MET A 71 1.534 3.803 14.733 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.223 3.346 14.634 1.00 0.00 H new ATOM 0 HE1 MET A 71 1.472 7.238 16.229 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.813 6.501 14.749 1.00 0.00 H new ATOM 0 HE3 MET A 71 0.798 5.591 16.278 1.00 0.00 H new ATOM 1149 N ASN A 72 5.060 2.581 11.647 1.00 0.00 N ATOM 1150 CA ASN A 72 5.945 1.441 11.856 1.00 0.00 C ATOM 1151 C ASN A 72 5.324 0.448 12.832 1.00 0.00 C ATOM 1152 O ASN A 72 5.855 0.208 13.918 1.00 0.00 O ATOM 1153 CB ASN A 72 7.309 1.909 12.375 1.00 0.00 C ATOM 1154 CG ASN A 72 8.457 1.124 11.775 1.00 0.00 C ATOM 1155 OD1 ASN A 72 9.493 1.687 11.420 1.00 0.00 O ATOM 1156 ND2 ASN A 72 8.281 -0.187 11.657 1.00 0.00 N ATOM 0 H ASN A 72 4.666 2.642 10.708 1.00 0.00 H new ATOM 0 HA ASN A 72 6.087 0.941 10.898 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.438 2.967 12.147 1.00 0.00 H new ATOM 0 HB3 ASN A 72 7.334 1.812 13.460 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.020 -0.767 11.260 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.407 -0.614 11.964 1.00 0.00 H new ATOM 1163 N LEU A 73 4.197 -0.132 12.435 1.00 0.00 N ATOM 1164 CA LEU A 73 3.501 -1.104 13.270 1.00 0.00 C ATOM 1165 C LEU A 73 4.349 -2.354 13.450 1.00 0.00 C ATOM 1166 O LEU A 73 4.707 -2.725 14.567 1.00 0.00 O ATOM 1167 CB LEU A 73 2.154 -1.459 12.653 1.00 0.00 C ATOM 1168 CG LEU A 73 1.097 -0.359 12.758 1.00 0.00 C ATOM 1169 CD1 LEU A 73 1.574 0.911 12.073 1.00 0.00 C ATOM 1170 CD2 LEU A 73 -0.213 -0.828 12.155 1.00 0.00 C ATOM 0 H LEU A 73 3.746 0.054 11.539 1.00 0.00 H new ATOM 0 HA LEU A 73 3.329 -0.661 14.251 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.304 -1.702 11.601 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.773 -2.358 13.137 1.00 0.00 H new ATOM 0 HG LEU A 73 0.935 -0.137 13.813 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.807 1.681 12.159 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.492 1.258 12.548 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.766 0.706 11.020 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.956 -0.035 12.237 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.062 -1.076 11.105 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.564 -1.711 12.690 1.00 0.00 H new ATOM 1182 N ILE A 74 4.678 -2.989 12.335 1.00 0.00 N ATOM 1183 CA ILE A 74 5.498 -4.194 12.347 1.00 0.00 C ATOM 1184 C ILE A 74 6.758 -3.986 11.514 1.00 0.00 C ATOM 1185 O ILE A 74 6.786 -3.157 10.603 1.00 0.00 O ATOM 1186 CB ILE A 74 4.712 -5.416 11.815 1.00 0.00 C ATOM 1187 CG1 ILE A 74 4.088 -6.188 12.976 1.00 0.00 C ATOM 1188 CG2 ILE A 74 5.602 -6.339 10.991 1.00 0.00 C ATOM 1189 CD1 ILE A 74 3.387 -7.457 12.543 1.00 0.00 C ATOM 0 H ILE A 74 4.388 -2.688 11.404 1.00 0.00 H new ATOM 0 HA ILE A 74 5.779 -4.394 13.381 1.00 0.00 H new ATOM 0 HB ILE A 74 3.921 -5.044 11.163 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.867 -6.439 13.696 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.374 -5.544 13.490 1.00 0.00 H new ATOM 0 HG21 ILE A 74 5.016 -7.186 10.634 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.004 -5.791 10.139 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.423 -6.701 11.610 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.966 -7.956 13.416 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.587 -7.211 11.845 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.102 -8.120 12.055 1.00 0.00 H new ATOM 1201 N ASP A 75 7.796 -4.751 11.826 1.00 0.00 N ATOM 1202 CA ASP A 75 9.052 -4.657 11.101 1.00 0.00 C ATOM 1203 C ASP A 75 9.132 -5.736 10.030 1.00 0.00 C ATOM 1204 O ASP A 75 8.715 -6.873 10.245 1.00 0.00 O ATOM 1205 CB ASP A 75 10.234 -4.784 12.061 1.00 0.00 C ATOM 1206 CG ASP A 75 11.525 -4.256 11.465 1.00 0.00 C ATOM 1207 OD1 ASP A 75 12.297 -3.607 12.201 1.00 0.00 O ATOM 1208 OD2 ASP A 75 11.763 -4.493 10.262 1.00 0.00 O ATOM 0 H ASP A 75 7.791 -5.442 12.576 1.00 0.00 H new ATOM 0 HA ASP A 75 9.095 -3.681 10.618 1.00 0.00 H new ATOM 0 HB2 ASP A 75 10.012 -4.240 12.979 1.00 0.00 H new ATOM 0 HB3 ASP A 75 10.365 -5.831 12.334 1.00 0.00 H new ATOM 1213 N GLY A 76 9.661 -5.365 8.873 1.00 0.00 N ATOM 1214 CA GLY A 76 9.778 -6.306 7.779 1.00 0.00 C ATOM 1215 C GLY A 76 8.788 -6.021 6.667 1.00 0.00 C ATOM 1216 O GLY A 76 9.082 -6.251 5.494 1.00 0.00 O ATOM 0 H GLY A 76 10.011 -4.428 8.673 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.791 -6.270 7.379 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.619 -7.317 8.154 1.00 0.00 H new ATOM 1220 N PHE A 77 7.610 -5.521 7.033 1.00 0.00 N ATOM 1221 CA PHE A 77 6.578 -5.212 6.045 1.00 0.00 C ATOM 1222 C PHE A 77 6.269 -3.717 6.016 1.00 0.00 C ATOM 1223 O PHE A 77 6.787 -2.947 6.824 1.00 0.00 O ATOM 1224 CB PHE A 77 5.298 -5.996 6.342 1.00 0.00 C ATOM 1225 CG PHE A 77 5.540 -7.337 6.976 1.00 0.00 C ATOM 1226 CD1 PHE A 77 5.104 -7.593 8.265 1.00 0.00 C ATOM 1227 CD2 PHE A 77 6.199 -8.340 6.284 1.00 0.00 C ATOM 1228 CE1 PHE A 77 5.319 -8.824 8.853 1.00 0.00 C ATOM 1229 CE2 PHE A 77 6.417 -9.575 6.868 1.00 0.00 C ATOM 1230 CZ PHE A 77 5.976 -9.817 8.155 1.00 0.00 C ATOM 0 H PHE A 77 7.347 -5.322 7.998 1.00 0.00 H new ATOM 0 HA PHE A 77 6.960 -5.505 5.067 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.664 -5.402 7.001 1.00 0.00 H new ATOM 0 HB3 PHE A 77 4.747 -6.138 5.413 1.00 0.00 H new ATOM 0 HD1 PHE A 77 4.590 -6.821 8.817 1.00 0.00 H new ATOM 0 HD2 PHE A 77 6.546 -8.156 5.278 1.00 0.00 H new ATOM 0 HE1 PHE A 77 4.973 -9.010 9.859 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.931 -10.349 6.318 1.00 0.00 H new ATOM 0 HZ PHE A 77 6.145 -10.780 8.613 1.00 0.00 H new ATOM 1240 N ASP A 78 5.410 -3.315 5.079 1.00 0.00 N ATOM 1241 CA ASP A 78 5.015 -1.918 4.938 1.00 0.00 C ATOM 1242 C ASP A 78 3.501 -1.777 5.102 1.00 0.00 C ATOM 1243 O ASP A 78 2.734 -2.405 4.375 1.00 0.00 O ATOM 1244 CB ASP A 78 5.448 -1.379 3.572 1.00 0.00 C ATOM 1245 CG ASP A 78 6.156 -0.040 3.670 1.00 0.00 C ATOM 1246 OD1 ASP A 78 6.179 0.541 4.776 1.00 0.00 O ATOM 1247 OD2 ASP A 78 6.686 0.426 2.639 1.00 0.00 O ATOM 0 H ASP A 78 4.974 -3.943 4.404 1.00 0.00 H new ATOM 0 HA ASP A 78 5.509 -1.337 5.717 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.110 -2.101 3.094 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.572 -1.276 2.932 1.00 0.00 H new ATOM 1252 N CYS A 79 3.077 -0.970 6.074 1.00 0.00 N ATOM 1253 CA CYS A 79 1.652 -0.777 6.346 1.00 0.00 C ATOM 1254 C CYS A 79 1.032 0.333 5.493 1.00 0.00 C ATOM 1255 O CYS A 79 1.248 1.519 5.744 1.00 0.00 O ATOM 1256 CB CYS A 79 1.439 -0.461 7.827 1.00 0.00 C ATOM 1257 SG CYS A 79 2.424 -1.480 8.952 1.00 0.00 S ATOM 0 H CYS A 79 3.698 -0.440 6.685 1.00 0.00 H new ATOM 0 HA CYS A 79 1.152 -1.709 6.083 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.678 0.588 8.001 1.00 0.00 H new ATOM 0 HB3 CYS A 79 0.384 -0.591 8.067 1.00 0.00 H new ATOM 0 HG CYS A 79 2.208 -2.737 8.701 1.00 0.00 H new ATOM 1263 N PHE A 80 0.240 -0.067 4.499 1.00 0.00 N ATOM 1264 CA PHE A 80 -0.440 0.879 3.616 1.00 0.00 C ATOM 1265 C PHE A 80 -1.955 0.684 3.687 1.00 0.00 C ATOM 1266 O PHE A 80 -2.431 -0.431 3.901 1.00 0.00 O ATOM 1267 CB PHE A 80 0.029 0.694 2.171 1.00 0.00 C ATOM 1268 CG PHE A 80 1.406 1.233 1.902 1.00 0.00 C ATOM 1269 CD1 PHE A 80 1.597 2.580 1.638 1.00 0.00 C ATOM 1270 CD2 PHE A 80 2.505 0.391 1.903 1.00 0.00 C ATOM 1271 CE1 PHE A 80 2.861 3.077 1.383 1.00 0.00 C ATOM 1272 CE2 PHE A 80 3.773 0.881 1.650 1.00 0.00 C ATOM 1273 CZ PHE A 80 3.950 2.225 1.388 1.00 0.00 C ATOM 0 H PHE A 80 0.053 -1.046 4.284 1.00 0.00 H new ATOM 0 HA PHE A 80 -0.193 1.888 3.947 1.00 0.00 H new ATOM 0 HB2 PHE A 80 0.012 -0.368 1.927 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.679 1.186 1.504 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.749 3.249 1.631 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.370 -0.662 2.104 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.998 4.129 1.180 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.623 0.214 1.657 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.939 2.611 1.187 1.00 0.00 H new ATOM 1283 N TYR A 81 -2.713 1.766 3.498 1.00 0.00 N ATOM 1284 CA TYR A 81 -4.173 1.682 3.535 1.00 0.00 C ATOM 1285 C TYR A 81 -4.817 2.642 2.535 1.00 0.00 C ATOM 1286 O TYR A 81 -4.476 3.823 2.476 1.00 0.00 O ATOM 1287 CB TYR A 81 -4.705 1.952 4.947 1.00 0.00 C ATOM 1288 CG TYR A 81 -4.290 3.285 5.533 1.00 0.00 C ATOM 1289 CD1 TYR A 81 -4.960 4.457 5.199 1.00 0.00 C ATOM 1290 CD2 TYR A 81 -3.232 3.369 6.431 1.00 0.00 C ATOM 1291 CE1 TYR A 81 -4.585 5.669 5.741 1.00 0.00 C ATOM 1292 CE2 TYR A 81 -2.853 4.579 6.976 1.00 0.00 C ATOM 1293 CZ TYR A 81 -3.532 5.727 6.629 1.00 0.00 C ATOM 1294 OH TYR A 81 -3.157 6.935 7.172 1.00 0.00 O ATOM 0 H TYR A 81 -2.345 2.700 3.320 1.00 0.00 H new ATOM 0 HA TYR A 81 -4.444 0.665 3.250 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -5.794 1.902 4.927 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -4.362 1.157 5.609 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -5.786 4.418 4.505 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -2.698 2.472 6.707 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -5.115 6.570 5.470 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -2.028 4.626 7.671 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.399 6.800 7.779 1.00 0.00 H new ATOM 1304 N SER A 82 -5.754 2.112 1.750 1.00 0.00 N ATOM 1305 CA SER A 82 -6.466 2.897 0.746 1.00 0.00 C ATOM 1306 C SER A 82 -7.971 2.657 0.843 1.00 0.00 C ATOM 1307 O SER A 82 -8.432 1.524 0.704 1.00 0.00 O ATOM 1308 CB SER A 82 -5.981 2.522 -0.658 1.00 0.00 C ATOM 1309 OG SER A 82 -6.188 3.586 -1.571 1.00 0.00 O ATOM 0 H SER A 82 -6.039 1.133 1.792 1.00 0.00 H new ATOM 0 HA SER A 82 -6.263 3.952 0.931 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.921 2.269 -0.624 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.510 1.634 -1.004 1.00 0.00 H new ATOM 0 HG SER A 82 -5.678 4.371 -1.280 1.00 0.00 H new ATOM 1315 N THR A 83 -8.738 3.719 1.082 1.00 0.00 N ATOM 1316 CA THR A 83 -10.188 3.590 1.188 1.00 0.00 C ATOM 1317 C THR A 83 -10.856 3.767 -0.170 1.00 0.00 C ATOM 1318 O THR A 83 -10.349 4.477 -1.037 1.00 0.00 O ATOM 1319 CB THR A 83 -10.758 4.601 2.186 1.00 0.00 C ATOM 1320 OG1 THR A 83 -10.510 5.927 1.755 1.00 0.00 O ATOM 1321 CG2 THR A 83 -10.191 4.458 3.581 1.00 0.00 C ATOM 0 H THR A 83 -8.384 4.668 1.205 1.00 0.00 H new ATOM 0 HA THR A 83 -10.400 2.584 1.551 1.00 0.00 H new ATOM 0 HB THR A 83 -11.827 4.391 2.225 1.00 0.00 H new ATOM 0 HG1 THR A 83 -9.961 6.390 2.422 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.640 5.206 4.235 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.413 3.462 3.964 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.111 4.603 3.551 1.00 0.00 H new ATOM 1329 N ASP A 84 -11.996 3.103 -0.348 1.00 0.00 N ATOM 1330 CA ASP A 84 -12.743 3.174 -1.601 1.00 0.00 C ATOM 1331 C ASP A 84 -12.904 4.616 -2.071 1.00 0.00 C ATOM 1332 O ASP A 84 -12.957 5.543 -1.263 1.00 0.00 O ATOM 1333 CB ASP A 84 -14.115 2.518 -1.439 1.00 0.00 C ATOM 1334 CG ASP A 84 -14.709 2.083 -2.764 1.00 0.00 C ATOM 1335 OD1 ASP A 84 -15.648 1.259 -2.750 1.00 0.00 O ATOM 1336 OD2 ASP A 84 -14.237 2.565 -3.815 1.00 0.00 O ATOM 0 H ASP A 84 -12.423 2.508 0.362 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.176 2.633 -2.359 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.025 1.652 -0.783 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.794 3.218 -0.952 1.00 0.00 H new ATOM 1341 N ASP A 85 -12.972 4.794 -3.385 1.00 0.00 N ATOM 1342 CA ASP A 85 -13.117 6.120 -3.975 1.00 0.00 C ATOM 1343 C ASP A 85 -14.501 6.709 -3.707 1.00 0.00 C ATOM 1344 O ASP A 85 -14.709 7.913 -3.860 1.00 0.00 O ATOM 1345 CB ASP A 85 -12.866 6.058 -5.484 1.00 0.00 C ATOM 1346 CG ASP A 85 -12.326 7.362 -6.034 1.00 0.00 C ATOM 1347 OD1 ASP A 85 -11.771 7.348 -7.153 1.00 0.00 O ATOM 1348 OD2 ASP A 85 -12.458 8.398 -5.348 1.00 0.00 O ATOM 0 H ASP A 85 -12.929 4.034 -4.064 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.377 6.770 -3.508 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.160 5.256 -5.699 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -13.796 5.809 -5.994 1.00 0.00 H new ATOM 1353 N HIS A 86 -15.448 5.863 -3.311 1.00 0.00 N ATOM 1354 CA HIS A 86 -16.805 6.321 -3.033 1.00 0.00 C ATOM 1355 C HIS A 86 -17.453 5.517 -1.907 1.00 0.00 C ATOM 1356 O HIS A 86 -18.678 5.494 -1.781 1.00 0.00 O ATOM 1357 CB HIS A 86 -17.663 6.235 -4.297 1.00 0.00 C ATOM 1358 CG HIS A 86 -17.902 4.835 -4.775 1.00 0.00 C ATOM 1359 ND1 HIS A 86 -17.337 3.724 -4.182 1.00 0.00 N ATOM 1360 CD2 HIS A 86 -18.657 4.365 -5.797 1.00 0.00 C ATOM 1361 CE1 HIS A 86 -17.732 2.638 -4.818 1.00 0.00 C ATOM 1362 NE2 HIS A 86 -18.533 2.998 -5.801 1.00 0.00 N ATOM 0 H HIS A 86 -15.302 4.863 -3.176 1.00 0.00 H new ATOM 0 HA HIS A 86 -16.742 7.360 -2.709 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -18.624 6.712 -4.105 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -17.179 6.802 -5.092 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -19.247 4.956 -6.482 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -17.447 1.625 -4.574 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -18.987 2.364 -6.458 1.00 0.00 H new ATOM 1371 N ASP A 87 -16.633 4.858 -1.094 1.00 0.00 N ATOM 1372 CA ASP A 87 -17.148 4.058 0.011 1.00 0.00 C ATOM 1373 C ASP A 87 -16.147 3.997 1.165 1.00 0.00 C ATOM 1374 O ASP A 87 -15.264 3.139 1.183 1.00 0.00 O ATOM 1375 CB ASP A 87 -17.473 2.643 -0.469 1.00 0.00 C ATOM 1376 CG ASP A 87 -18.713 2.077 0.196 1.00 0.00 C ATOM 1377 OD1 ASP A 87 -18.597 1.560 1.327 1.00 0.00 O ATOM 1378 OD2 ASP A 87 -19.799 2.150 -0.415 1.00 0.00 O ATOM 0 H ASP A 87 -15.617 4.862 -1.179 1.00 0.00 H new ATOM 0 HA ASP A 87 -18.059 4.535 0.374 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -17.616 2.653 -1.550 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -16.625 1.990 -0.266 1.00 0.00 H new ATOM 1383 N PRO A 88 -16.277 4.900 2.155 1.00 0.00 N ATOM 1384 CA PRO A 88 -15.381 4.927 3.317 1.00 0.00 C ATOM 1385 C PRO A 88 -15.472 3.642 4.136 1.00 0.00 C ATOM 1386 O PRO A 88 -14.596 3.349 4.950 1.00 0.00 O ATOM 1387 CB PRO A 88 -15.876 6.123 4.135 1.00 0.00 C ATOM 1388 CG PRO A 88 -17.273 6.358 3.675 1.00 0.00 C ATOM 1389 CD PRO A 88 -17.305 5.951 2.230 1.00 0.00 C ATOM 0 HA PRO A 88 -14.335 5.010 3.023 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -15.844 5.910 5.203 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -15.253 7.001 3.966 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -17.981 5.772 4.261 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -17.552 7.405 3.792 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -18.286 5.576 1.939 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -17.075 6.788 1.571 1.00 0.00 H new ATOM 1397 N LYS A 89 -16.534 2.871 3.905 1.00 0.00 N ATOM 1398 CA LYS A 89 -16.735 1.612 4.608 1.00 0.00 C ATOM 1399 C LYS A 89 -16.199 0.448 3.783 1.00 0.00 C ATOM 1400 O LYS A 89 -16.703 -0.673 3.862 1.00 0.00 O ATOM 1401 CB LYS A 89 -18.219 1.402 4.910 1.00 0.00 C ATOM 1402 CG LYS A 89 -18.735 2.266 6.048 1.00 0.00 C ATOM 1403 CD LYS A 89 -18.558 3.746 5.748 1.00 0.00 C ATOM 1404 CE LYS A 89 -19.678 4.575 6.352 1.00 0.00 C ATOM 1405 NZ LYS A 89 -20.863 4.651 5.453 1.00 0.00 N ATOM 0 H LYS A 89 -17.268 3.100 3.234 1.00 0.00 H new ATOM 0 HA LYS A 89 -16.187 1.653 5.549 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -18.798 1.615 4.011 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -18.387 0.353 5.156 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -19.790 2.052 6.219 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -18.205 2.014 6.967 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -17.600 4.086 6.141 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -18.532 3.899 4.669 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -19.975 4.142 7.307 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -19.314 5.582 6.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -21.604 5.226 5.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -20.587 5.088 4.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -21.227 3.693 5.277 1.00 0.00 H new ATOM 1419 N THR A 90 -15.168 0.727 2.995 1.00 0.00 N ATOM 1420 CA THR A 90 -14.540 -0.280 2.149 1.00 0.00 C ATOM 1421 C THR A 90 -13.072 0.065 1.952 1.00 0.00 C ATOM 1422 O THR A 90 -12.647 0.452 0.863 1.00 0.00 O ATOM 1423 CB THR A 90 -15.263 -0.364 0.801 1.00 0.00 C ATOM 1424 OG1 THR A 90 -16.572 -0.877 0.968 1.00 0.00 O ATOM 1425 CG2 THR A 90 -14.558 -1.235 -0.216 1.00 0.00 C ATOM 0 H THR A 90 -14.745 1.653 2.924 1.00 0.00 H new ATOM 0 HA THR A 90 -14.610 -1.254 2.633 1.00 0.00 H new ATOM 0 HB THR A 90 -15.278 0.659 0.424 1.00 0.00 H new ATOM 0 HG1 THR A 90 -17.206 -0.135 1.049 1.00 0.00 H new ATOM 0 HG21 THR A 90 -15.129 -1.246 -1.144 1.00 0.00 H new ATOM 0 HG22 THR A 90 -13.562 -0.837 -0.408 1.00 0.00 H new ATOM 0 HG23 THR A 90 -14.475 -2.251 0.170 1.00 0.00 H new ATOM 1433 N VAL A 91 -12.313 -0.068 3.027 1.00 0.00 N ATOM 1434 CA VAL A 91 -10.892 0.234 3.011 1.00 0.00 C ATOM 1435 C VAL A 91 -10.105 -0.822 2.245 1.00 0.00 C ATOM 1436 O VAL A 91 -10.660 -1.821 1.793 1.00 0.00 O ATOM 1437 CB VAL A 91 -10.319 0.365 4.441 1.00 0.00 C ATOM 1438 CG1 VAL A 91 -9.227 1.426 4.484 1.00 0.00 C ATOM 1439 CG2 VAL A 91 -11.424 0.692 5.441 1.00 0.00 C ATOM 0 H VAL A 91 -12.662 -0.387 3.931 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.785 1.192 2.503 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.881 -0.593 4.721 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.836 1.504 5.498 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.422 1.147 3.805 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.641 2.387 4.180 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -10.997 0.779 6.440 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -11.897 1.634 5.165 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.169 -0.104 5.433 1.00 0.00 H new ATOM 1449 N TYR A 92 -8.808 -0.585 2.112 1.00 0.00 N ATOM 1450 CA TYR A 92 -7.912 -1.498 1.404 1.00 0.00 C ATOM 1451 C TYR A 92 -6.503 -1.399 1.975 1.00 0.00 C ATOM 1452 O TYR A 92 -5.709 -0.567 1.537 1.00 0.00 O ATOM 1453 CB TYR A 92 -7.856 -1.168 -0.092 1.00 0.00 C ATOM 1454 CG TYR A 92 -9.199 -1.088 -0.780 1.00 0.00 C ATOM 1455 CD1 TYR A 92 -10.050 -2.184 -0.823 1.00 0.00 C ATOM 1456 CD2 TYR A 92 -9.607 0.083 -1.405 1.00 0.00 C ATOM 1457 CE1 TYR A 92 -11.272 -2.115 -1.465 1.00 0.00 C ATOM 1458 CE2 TYR A 92 -10.826 0.162 -2.047 1.00 0.00 C ATOM 1459 CZ TYR A 92 -11.656 -0.940 -2.075 1.00 0.00 C ATOM 1460 OH TYR A 92 -12.872 -0.867 -2.716 1.00 0.00 O ATOM 0 H TYR A 92 -8.345 0.242 2.489 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.301 -2.508 1.534 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.342 -0.215 -0.219 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.253 -1.925 -0.593 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -9.752 -3.106 -0.347 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.959 0.947 -1.388 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.922 -2.977 -1.489 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -11.129 1.082 -2.525 1.00 0.00 H new ATOM 0 HH TYR A 92 -12.990 0.030 -3.092 1.00 0.00 H new ATOM 1470 N VAL A 93 -6.190 -2.238 2.952 1.00 0.00 N ATOM 1471 CA VAL A 93 -4.869 -2.212 3.564 1.00 0.00 C ATOM 1472 C VAL A 93 -3.970 -3.303 2.992 1.00 0.00 C ATOM 1473 O VAL A 93 -4.373 -4.459 2.866 1.00 0.00 O ATOM 1474 CB VAL A 93 -4.965 -2.339 5.097 1.00 0.00 C ATOM 1475 CG1 VAL A 93 -3.605 -2.634 5.716 1.00 0.00 C ATOM 1476 CG2 VAL A 93 -5.559 -1.065 5.683 1.00 0.00 C ATOM 0 H VAL A 93 -6.825 -2.938 3.335 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.420 -1.247 3.328 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.619 -3.178 5.332 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.708 -2.717 6.798 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.218 -3.571 5.315 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.914 -1.825 5.479 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.625 -1.159 6.767 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.922 -0.217 5.431 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.556 -0.905 5.271 1.00 0.00 H new ATOM 1486 N CYS A 94 -2.751 -2.912 2.638 1.00 0.00 N ATOM 1487 CA CYS A 94 -1.781 -3.834 2.066 1.00 0.00 C ATOM 1488 C CYS A 94 -0.460 -3.785 2.827 1.00 0.00 C ATOM 1489 O CYS A 94 0.165 -2.730 2.944 1.00 0.00 O ATOM 1490 CB CYS A 94 -1.546 -3.494 0.592 1.00 0.00 C ATOM 1491 SG CYS A 94 -0.316 -4.537 -0.225 1.00 0.00 S ATOM 0 H CYS A 94 -2.411 -1.956 2.739 1.00 0.00 H new ATOM 0 HA CYS A 94 -2.183 -4.844 2.147 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -2.491 -3.580 0.056 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -1.230 -2.453 0.517 1.00 0.00 H new ATOM 0 HG CYS A 94 -0.213 -5.666 0.411 1.00 0.00 H new ATOM 1497 N PHE A 95 -0.034 -4.940 3.327 1.00 0.00 N ATOM 1498 CA PHE A 95 1.221 -5.042 4.056 1.00 0.00 C ATOM 1499 C PHE A 95 2.327 -5.494 3.116 1.00 0.00 C ATOM 1500 O PHE A 95 2.626 -6.685 3.023 1.00 0.00 O ATOM 1501 CB PHE A 95 1.096 -6.040 5.205 1.00 0.00 C ATOM 1502 CG PHE A 95 0.728 -5.421 6.514 1.00 0.00 C ATOM 1503 CD1 PHE A 95 1.709 -5.007 7.400 1.00 0.00 C ATOM 1504 CD2 PHE A 95 -0.599 -5.271 6.870 1.00 0.00 C ATOM 1505 CE1 PHE A 95 1.369 -4.454 8.618 1.00 0.00 C ATOM 1506 CE2 PHE A 95 -0.944 -4.718 8.083 1.00 0.00 C ATOM 1507 CZ PHE A 95 0.040 -4.312 8.958 1.00 0.00 C ATOM 0 H PHE A 95 -0.542 -5.820 3.239 1.00 0.00 H new ATOM 0 HA PHE A 95 1.463 -4.061 4.465 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.345 -6.786 4.944 1.00 0.00 H new ATOM 0 HB3 PHE A 95 2.043 -6.568 5.318 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.750 -5.118 7.135 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -1.374 -5.591 6.189 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.141 -4.134 9.302 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -1.985 -4.603 8.348 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.230 -3.882 9.911 1.00 0.00 H new ATOM 1517 N THR A 96 2.921 -4.546 2.408 1.00 0.00 N ATOM 1518 CA THR A 96 3.984 -4.867 1.467 1.00 0.00 C ATOM 1519 C THR A 96 5.276 -5.195 2.199 1.00 0.00 C ATOM 1520 O THR A 96 5.283 -5.393 3.412 1.00 0.00 O ATOM 1521 CB THR A 96 4.211 -3.709 0.492 1.00 0.00 C ATOM 1522 OG1 THR A 96 3.368 -2.616 0.802 1.00 0.00 O ATOM 1523 CG2 THR A 96 3.960 -4.093 -0.946 1.00 0.00 C ATOM 0 H THR A 96 2.688 -3.555 2.466 1.00 0.00 H new ATOM 0 HA THR A 96 3.675 -5.746 0.901 1.00 0.00 H new ATOM 0 HB THR A 96 5.260 -3.434 0.603 1.00 0.00 H new ATOM 0 HG1 THR A 96 3.912 -1.857 1.099 1.00 0.00 H new ATOM 0 HG21 THR A 96 4.137 -3.231 -1.589 1.00 0.00 H new ATOM 0 HG22 THR A 96 4.634 -4.902 -1.230 1.00 0.00 H new ATOM 0 HG23 THR A 96 2.928 -4.424 -1.059 1.00 0.00 H new ATOM 1531 N LEU A 97 6.365 -5.247 1.450 1.00 0.00 N ATOM 1532 CA LEU A 97 7.665 -5.545 2.020 1.00 0.00 C ATOM 1533 C LEU A 97 8.519 -4.285 2.079 1.00 0.00 C ATOM 1534 O LEU A 97 8.672 -3.588 1.077 1.00 0.00 O ATOM 1535 CB LEU A 97 8.349 -6.627 1.202 1.00 0.00 C ATOM 1536 CG LEU A 97 7.567 -7.937 1.135 1.00 0.00 C ATOM 1537 CD1 LEU A 97 7.946 -8.715 -0.101 1.00 0.00 C ATOM 1538 CD2 LEU A 97 7.803 -8.766 2.386 1.00 0.00 C ATOM 0 H LEU A 97 6.373 -5.086 0.443 1.00 0.00 H new ATOM 0 HA LEU A 97 7.534 -5.911 3.039 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.508 -6.258 0.189 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.333 -6.824 1.628 1.00 0.00 H new ATOM 0 HG LEU A 97 6.504 -7.702 1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.380 -9.646 -0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.720 -8.122 -0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.012 -8.940 -0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.237 -9.695 2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.865 -8.994 2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.476 -8.205 3.261 1.00 0.00 H new ATOM 1550 N VAL A 98 9.059 -3.986 3.257 1.00 0.00 N ATOM 1551 CA VAL A 98 9.883 -2.793 3.439 1.00 0.00 C ATOM 1552 C VAL A 98 10.897 -2.630 2.310 1.00 0.00 C ATOM 1553 O VAL A 98 11.185 -1.515 1.880 1.00 0.00 O ATOM 1554 CB VAL A 98 10.630 -2.809 4.790 1.00 0.00 C ATOM 1555 CG1 VAL A 98 9.745 -2.242 5.890 1.00 0.00 C ATOM 1556 CG2 VAL A 98 11.094 -4.216 5.144 1.00 0.00 C ATOM 0 H VAL A 98 8.942 -4.551 4.098 1.00 0.00 H new ATOM 0 HA VAL A 98 9.196 -1.947 3.426 1.00 0.00 H new ATOM 0 HB VAL A 98 11.515 -2.180 4.697 1.00 0.00 H new ATOM 0 HG11 VAL A 98 10.285 -2.260 6.837 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.474 -1.215 5.646 1.00 0.00 H new ATOM 0 HG13 VAL A 98 8.841 -2.845 5.977 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.617 -4.197 6.100 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.230 -4.877 5.216 1.00 0.00 H new ATOM 0 HG23 VAL A 98 11.768 -4.583 4.369 1.00 0.00 H new ATOM 1566 N ASP A 99 11.422 -3.750 1.824 1.00 0.00 N ATOM 1567 CA ASP A 99 12.389 -3.723 0.732 1.00 0.00 C ATOM 1568 C ASP A 99 11.759 -3.122 -0.521 1.00 0.00 C ATOM 1569 O ASP A 99 12.434 -2.478 -1.324 1.00 0.00 O ATOM 1570 CB ASP A 99 12.899 -5.135 0.436 1.00 0.00 C ATOM 1571 CG ASP A 99 13.988 -5.570 1.397 1.00 0.00 C ATOM 1572 OD1 ASP A 99 15.174 -5.519 1.010 1.00 0.00 O ATOM 1573 OD2 ASP A 99 13.655 -5.959 2.536 1.00 0.00 O ATOM 0 H ASP A 99 11.196 -4.684 2.167 1.00 0.00 H new ATOM 0 HA ASP A 99 13.232 -3.102 1.034 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.068 -5.838 0.491 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.282 -5.174 -0.584 1.00 0.00 H new ATOM 1578 N ILE A 100 10.455 -3.331 -0.668 1.00 0.00 N ATOM 1579 CA ILE A 100 9.710 -2.813 -1.807 1.00 0.00 C ATOM 1580 C ILE A 100 9.449 -1.315 -1.648 1.00 0.00 C ATOM 1581 O ILE A 100 9.023 -0.866 -0.584 1.00 0.00 O ATOM 1582 CB ILE A 100 8.361 -3.551 -1.964 1.00 0.00 C ATOM 1583 CG1 ILE A 100 8.599 -5.024 -2.292 1.00 0.00 C ATOM 1584 CG2 ILE A 100 7.492 -2.898 -3.035 1.00 0.00 C ATOM 1585 CD1 ILE A 100 7.320 -5.815 -2.467 1.00 0.00 C ATOM 0 H ILE A 100 9.889 -3.861 -0.005 1.00 0.00 H new ATOM 0 HA ILE A 100 10.314 -2.980 -2.699 1.00 0.00 H new ATOM 0 HB ILE A 100 7.827 -3.483 -1.016 1.00 0.00 H new ATOM 0 HG12 ILE A 100 9.189 -5.094 -3.206 1.00 0.00 H new ATOM 0 HG13 ILE A 100 9.190 -5.475 -1.495 1.00 0.00 H new ATOM 0 HG21 ILE A 100 6.551 -3.441 -3.121 1.00 0.00 H new ATOM 0 HG22 ILE A 100 7.290 -1.863 -2.759 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.014 -2.923 -3.992 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.562 -6.852 -2.698 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.738 -5.775 -1.546 1.00 0.00 H new ATOM 0 HD13 ILE A 100 6.737 -5.388 -3.283 1.00 0.00 H new ATOM 1597 N PRO A 101 9.698 -0.518 -2.703 1.00 0.00 N ATOM 1598 CA PRO A 101 9.479 0.931 -2.661 1.00 0.00 C ATOM 1599 C PRO A 101 8.057 1.285 -2.239 1.00 0.00 C ATOM 1600 O PRO A 101 7.305 0.431 -1.775 1.00 0.00 O ATOM 1601 CB PRO A 101 9.736 1.378 -4.102 1.00 0.00 C ATOM 1602 CG PRO A 101 10.618 0.325 -4.677 1.00 0.00 C ATOM 1603 CD PRO A 101 10.210 -0.961 -4.015 1.00 0.00 C ATOM 0 HA PRO A 101 10.126 1.419 -1.932 1.00 0.00 H new ATOM 0 HB2 PRO A 101 8.805 1.462 -4.662 1.00 0.00 H new ATOM 0 HB3 PRO A 101 10.216 2.356 -4.133 1.00 0.00 H new ATOM 0 HG2 PRO A 101 10.498 0.263 -5.759 1.00 0.00 H new ATOM 0 HG3 PRO A 101 11.668 0.547 -4.485 1.00 0.00 H new ATOM 0 HD2 PRO A 101 9.446 -1.485 -4.589 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.053 -1.644 -3.909 1.00 0.00 H new ATOM 1611 N LYS A 102 7.696 2.552 -2.407 1.00 0.00 N ATOM 1612 CA LYS A 102 6.365 3.023 -2.046 1.00 0.00 C ATOM 1613 C LYS A 102 5.539 3.311 -3.296 1.00 0.00 C ATOM 1614 O LYS A 102 5.217 4.464 -3.588 1.00 0.00 O ATOM 1615 CB LYS A 102 6.468 4.284 -1.183 1.00 0.00 C ATOM 1616 CG LYS A 102 5.223 4.561 -0.355 1.00 0.00 C ATOM 1617 CD LYS A 102 4.708 5.975 -0.573 1.00 0.00 C ATOM 1618 CE LYS A 102 4.008 6.511 0.666 1.00 0.00 C ATOM 1619 NZ LYS A 102 4.381 7.925 0.947 1.00 0.00 N ATOM 0 H LYS A 102 8.308 3.272 -2.791 1.00 0.00 H new ATOM 0 HA LYS A 102 5.866 2.241 -1.474 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.324 4.188 -0.515 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.662 5.141 -1.828 1.00 0.00 H new ATOM 0 HG2 LYS A 102 4.444 3.845 -0.618 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.448 4.414 0.701 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.539 6.630 -0.834 1.00 0.00 H new ATOM 0 HD3 LYS A 102 4.017 5.986 -1.416 1.00 0.00 H new ATOM 0 HE2 LYS A 102 2.929 6.440 0.532 1.00 0.00 H new ATOM 0 HE3 LYS A 102 4.264 5.890 1.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 3.883 8.253 1.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 5.408 7.989 1.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.113 8.522 0.138 1.00 0.00 H new ATOM 1633 N ILE A 103 5.207 2.259 -4.039 1.00 0.00 N ATOM 1634 CA ILE A 103 4.429 2.411 -5.262 1.00 0.00 C ATOM 1635 C ILE A 103 3.603 1.167 -5.575 1.00 0.00 C ATOM 1636 O ILE A 103 2.455 1.275 -6.006 1.00 0.00 O ATOM 1637 CB ILE A 103 5.342 2.742 -6.460 1.00 0.00 C ATOM 1638 CG1 ILE A 103 4.519 2.948 -7.735 1.00 0.00 C ATOM 1639 CG2 ILE A 103 6.376 1.646 -6.656 1.00 0.00 C ATOM 1640 CD1 ILE A 103 3.863 4.309 -7.819 1.00 0.00 C ATOM 0 H ILE A 103 5.464 1.297 -3.816 1.00 0.00 H new ATOM 0 HA ILE A 103 3.742 3.240 -5.094 1.00 0.00 H new ATOM 0 HB ILE A 103 5.864 3.674 -6.245 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.166 2.812 -8.601 1.00 0.00 H new ATOM 0 HG13 ILE A 103 3.749 2.179 -7.789 1.00 0.00 H new ATOM 0 HG21 ILE A 103 7.013 1.894 -7.505 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.987 1.558 -5.758 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.871 0.699 -6.846 1.00 0.00 H new ATOM 0 HD11 ILE A 103 3.297 4.384 -8.748 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.189 4.441 -6.972 1.00 0.00 H new ATOM 0 HD13 ILE A 103 4.629 5.084 -7.798 1.00 0.00 H new ATOM 1652 N LEU A 104 4.173 -0.014 -5.360 1.00 0.00 N ATOM 1653 CA LEU A 104 3.442 -1.251 -5.632 1.00 0.00 C ATOM 1654 C LEU A 104 2.131 -1.268 -4.853 1.00 0.00 C ATOM 1655 O LEU A 104 1.057 -1.255 -5.445 1.00 0.00 O ATOM 1656 CB LEU A 104 4.273 -2.501 -5.294 1.00 0.00 C ATOM 1657 CG LEU A 104 3.464 -3.807 -5.209 1.00 0.00 C ATOM 1658 CD1 LEU A 104 3.147 -4.340 -6.595 1.00 0.00 C ATOM 1659 CD2 LEU A 104 4.199 -4.861 -4.396 1.00 0.00 C ATOM 0 H LEU A 104 5.121 -0.143 -5.005 1.00 0.00 H new ATOM 0 HA LEU A 104 3.232 -1.277 -6.701 1.00 0.00 H new ATOM 0 HB2 LEU A 104 5.050 -2.619 -6.049 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.777 -2.339 -4.341 1.00 0.00 H new ATOM 0 HG LEU A 104 2.527 -3.578 -4.702 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.575 -5.264 -6.508 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.563 -3.602 -7.144 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.076 -4.538 -7.130 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.601 -5.771 -4.355 1.00 0.00 H new ATOM 0 HD22 LEU A 104 5.159 -5.078 -4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.365 -4.490 -3.385 1.00 0.00 H new ATOM 1671 N PRO A 105 2.199 -1.280 -3.509 1.00 0.00 N ATOM 1672 CA PRO A 105 1.006 -1.289 -2.663 1.00 0.00 C ATOM 1673 C PRO A 105 -0.003 -0.241 -3.110 1.00 0.00 C ATOM 1674 O PRO A 105 -1.211 -0.417 -2.953 1.00 0.00 O ATOM 1675 CB PRO A 105 1.539 -0.966 -1.257 1.00 0.00 C ATOM 1676 CG PRO A 105 2.975 -0.588 -1.445 1.00 0.00 C ATOM 1677 CD PRO A 105 3.424 -1.266 -2.706 1.00 0.00 C ATOM 0 HA PRO A 105 0.480 -2.243 -2.707 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.976 -0.151 -0.803 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.444 -1.827 -0.595 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.086 0.493 -1.524 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.577 -0.909 -0.595 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.226 -0.717 -3.199 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.796 -2.273 -2.516 1.00 0.00 H new ATOM 1685 N ILE A 106 0.510 0.842 -3.678 1.00 0.00 N ATOM 1686 CA ILE A 106 -0.334 1.919 -4.162 1.00 0.00 C ATOM 1687 C ILE A 106 -1.077 1.492 -5.425 1.00 0.00 C ATOM 1688 O ILE A 106 -2.263 1.782 -5.590 1.00 0.00 O ATOM 1689 CB ILE A 106 0.502 3.184 -4.443 1.00 0.00 C ATOM 1690 CG1 ILE A 106 1.086 3.734 -3.140 1.00 0.00 C ATOM 1691 CG2 ILE A 106 -0.324 4.250 -5.145 1.00 0.00 C ATOM 1692 CD1 ILE A 106 2.302 2.976 -2.656 1.00 0.00 C ATOM 0 H ILE A 106 1.509 0.995 -3.814 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.064 2.150 -3.387 1.00 0.00 H new ATOM 0 HB ILE A 106 1.320 2.905 -5.108 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.354 4.781 -3.285 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.318 3.705 -2.367 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.295 5.128 -5.328 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.690 3.860 -6.095 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.170 4.527 -4.516 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.663 3.421 -1.728 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.035 1.934 -2.479 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.086 3.026 -3.411 1.00 0.00 H new ATOM 1704 N ARG A 107 -0.374 0.788 -6.305 1.00 0.00 N ATOM 1705 CA ARG A 107 -0.966 0.307 -7.548 1.00 0.00 C ATOM 1706 C ARG A 107 -1.807 -0.943 -7.298 1.00 0.00 C ATOM 1707 O ARG A 107 -2.767 -1.211 -8.019 1.00 0.00 O ATOM 1708 CB ARG A 107 0.127 0.006 -8.578 1.00 0.00 C ATOM 1709 CG ARG A 107 -0.193 0.518 -9.973 1.00 0.00 C ATOM 1710 CD ARG A 107 0.503 1.839 -10.255 1.00 0.00 C ATOM 1711 NE ARG A 107 -0.213 2.972 -9.672 1.00 0.00 N ATOM 1712 CZ ARG A 107 0.084 4.246 -9.922 1.00 0.00 C ATOM 1713 NH1 ARG A 107 1.081 4.554 -10.743 1.00 0.00 N ATOM 1714 NH2 ARG A 107 -0.618 5.215 -9.349 1.00 0.00 N ATOM 0 H ARG A 107 0.607 0.538 -6.181 1.00 0.00 H new ATOM 0 HA ARG A 107 -1.616 1.089 -7.940 1.00 0.00 H new ATOM 0 HB2 ARG A 107 1.063 0.452 -8.242 1.00 0.00 H new ATOM 0 HB3 ARG A 107 0.285 -1.072 -8.623 1.00 0.00 H new ATOM 0 HG2 ARG A 107 0.114 -0.221 -10.712 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -1.271 0.644 -10.077 1.00 0.00 H new ATOM 0 HD2 ARG A 107 1.517 1.807 -9.856 1.00 0.00 H new ATOM 0 HD3 ARG A 107 0.589 1.980 -11.332 1.00 0.00 H new ATOM 0 HE ARG A 107 -0.986 2.775 -9.036 1.00 0.00 H new ATOM 0 HH11 ARG A 107 1.624 3.813 -11.186 1.00 0.00 H new ATOM 0 HH12 ARG A 107 1.304 5.532 -10.931 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -1.385 4.984 -8.717 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -0.391 6.191 -9.540 1.00 0.00 H new ATOM 1728 N ILE A 108 -1.441 -1.702 -6.267 1.00 0.00 N ATOM 1729 CA ILE A 108 -2.159 -2.919 -5.914 1.00 0.00 C ATOM 1730 C ILE A 108 -3.551 -2.586 -5.394 1.00 0.00 C ATOM 1731 O ILE A 108 -4.544 -3.150 -5.849 1.00 0.00 O ATOM 1732 CB ILE A 108 -1.396 -3.733 -4.851 1.00 0.00 C ATOM 1733 CG1 ILE A 108 0.038 -3.994 -5.321 1.00 0.00 C ATOM 1734 CG2 ILE A 108 -2.116 -5.043 -4.550 1.00 0.00 C ATOM 1735 CD1 ILE A 108 0.164 -5.122 -6.320 1.00 0.00 C ATOM 0 H ILE A 108 -0.648 -1.492 -5.661 1.00 0.00 H new ATOM 0 HA ILE A 108 -2.244 -3.522 -6.818 1.00 0.00 H new ATOM 0 HB ILE A 108 -1.360 -3.154 -3.928 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.435 -3.082 -5.767 1.00 0.00 H new ATOM 0 HG13 ILE A 108 0.658 -4.220 -4.453 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.558 -5.600 -3.797 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -3.118 -4.830 -4.176 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -2.187 -5.637 -5.461 1.00 0.00 H new ATOM 0 HD11 ILE A 108 1.210 -5.243 -6.602 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.200 -6.047 -5.872 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -0.427 -4.891 -7.206 1.00 0.00 H new ATOM 1747 N LEU A 109 -3.619 -1.656 -4.446 1.00 0.00 N ATOM 1748 CA LEU A 109 -4.896 -1.240 -3.884 1.00 0.00 C ATOM 1749 C LEU A 109 -5.712 -0.515 -4.940 1.00 0.00 C ATOM 1750 O LEU A 109 -6.841 -0.903 -5.241 1.00 0.00 O ATOM 1751 CB LEU A 109 -4.679 -0.346 -2.657 1.00 0.00 C ATOM 1752 CG LEU A 109 -4.651 -1.069 -1.300 1.00 0.00 C ATOM 1753 CD1 LEU A 109 -4.675 -2.582 -1.474 1.00 0.00 C ATOM 1754 CD2 LEU A 109 -3.427 -0.648 -0.499 1.00 0.00 C ATOM 0 H LEU A 109 -2.807 -1.179 -4.053 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.446 -2.125 -3.563 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.737 0.189 -2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -5.470 0.403 -2.632 1.00 0.00 H new ATOM 0 HG LEU A 109 -5.548 -0.782 -0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.654 -3.061 -0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.583 -2.873 -2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.805 -2.896 -2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.422 -1.169 0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.524 -0.901 -1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.457 0.428 -0.327 1.00 0.00 H new ATOM 1766 N SER A 110 -5.126 0.522 -5.530 1.00 0.00 N ATOM 1767 CA SER A 110 -5.801 1.267 -6.582 1.00 0.00 C ATOM 1768 C SER A 110 -6.107 0.331 -7.744 1.00 0.00 C ATOM 1769 O SER A 110 -7.073 0.526 -8.480 1.00 0.00 O ATOM 1770 CB SER A 110 -4.938 2.438 -7.057 1.00 0.00 C ATOM 1771 OG SER A 110 -3.710 1.980 -7.593 1.00 0.00 O ATOM 0 H SER A 110 -4.193 0.862 -5.299 1.00 0.00 H new ATOM 0 HA SER A 110 -6.732 1.674 -6.188 1.00 0.00 H new ATOM 0 HB2 SER A 110 -5.478 3.009 -7.812 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.745 3.114 -6.224 1.00 0.00 H new ATOM 0 HG SER A 110 -2.969 2.320 -7.049 1.00 0.00 H new ATOM 1777 N GLY A 111 -5.284 -0.709 -7.878 1.00 0.00 N ATOM 1778 CA GLY A 111 -5.485 -1.686 -8.926 1.00 0.00 C ATOM 1779 C GLY A 111 -6.658 -2.589 -8.617 1.00 0.00 C ATOM 1780 O GLY A 111 -7.494 -2.847 -9.483 1.00 0.00 O ATOM 0 H GLY A 111 -4.481 -0.888 -7.275 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -5.656 -1.176 -9.874 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -4.583 -2.286 -9.045 1.00 0.00 H new ATOM 1784 N LEU A 112 -6.737 -3.052 -7.368 1.00 0.00 N ATOM 1785 CA LEU A 112 -7.842 -3.907 -6.944 1.00 0.00 C ATOM 1786 C LEU A 112 -9.159 -3.203 -7.237 1.00 0.00 C ATOM 1787 O LEU A 112 -10.179 -3.840 -7.493 1.00 0.00 O ATOM 1788 CB LEU A 112 -7.745 -4.235 -5.447 1.00 0.00 C ATOM 1789 CG LEU A 112 -6.606 -5.180 -5.042 1.00 0.00 C ATOM 1790 CD1 LEU A 112 -6.207 -4.945 -3.592 1.00 0.00 C ATOM 1791 CD2 LEU A 112 -7.008 -6.633 -5.242 1.00 0.00 C ATOM 0 H LEU A 112 -6.053 -2.850 -6.639 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.791 -4.845 -7.497 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.630 -3.301 -4.897 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.689 -4.678 -5.130 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.750 -4.967 -5.682 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.398 -5.624 -3.323 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.872 -3.915 -3.469 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.065 -5.127 -2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.184 -7.282 -4.948 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.882 -6.856 -4.630 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.247 -6.803 -6.292 1.00 0.00 H new ATOM 1803 N GLN A 113 -9.115 -1.870 -7.215 1.00 0.00 N ATOM 1804 CA GLN A 113 -10.292 -1.063 -7.496 1.00 0.00 C ATOM 1805 C GLN A 113 -10.665 -1.164 -8.972 1.00 0.00 C ATOM 1806 O GLN A 113 -11.800 -0.875 -9.352 1.00 0.00 O ATOM 1807 CB GLN A 113 -10.036 0.399 -7.120 1.00 0.00 C ATOM 1808 CG GLN A 113 -10.261 0.696 -5.648 1.00 0.00 C ATOM 1809 CD GLN A 113 -10.090 2.167 -5.318 1.00 0.00 C ATOM 1810 OE1 GLN A 113 -10.420 3.037 -6.123 1.00 0.00 O ATOM 1811 NE2 GLN A 113 -9.573 2.450 -4.128 1.00 0.00 N ATOM 0 H GLN A 113 -8.275 -1.331 -7.005 1.00 0.00 H new ATOM 0 HA GLN A 113 -11.121 -1.441 -6.897 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -9.010 0.659 -7.382 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -10.688 1.038 -7.715 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -11.265 0.378 -5.366 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -9.562 0.110 -5.052 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -9.314 1.696 -3.492 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -9.435 3.422 -3.850 1.00 0.00 H new ATOM 1820 N GLU A 114 -9.711 -1.593 -9.801 1.00 0.00 N ATOM 1821 CA GLU A 114 -9.964 -1.747 -11.225 1.00 0.00 C ATOM 1822 C GLU A 114 -10.864 -2.949 -11.462 1.00 0.00 C ATOM 1823 O GLU A 114 -11.512 -3.058 -12.503 1.00 0.00 O ATOM 1824 CB GLU A 114 -8.648 -1.915 -11.986 1.00 0.00 C ATOM 1825 CG GLU A 114 -8.782 -1.701 -13.485 1.00 0.00 C ATOM 1826 CD GLU A 114 -8.862 -0.234 -13.859 1.00 0.00 C ATOM 1827 OE1 GLU A 114 -7.820 0.339 -14.241 1.00 0.00 O ATOM 1828 OE2 GLU A 114 -9.968 0.340 -13.772 1.00 0.00 O ATOM 0 H GLU A 114 -8.765 -1.837 -9.509 1.00 0.00 H new ATOM 0 HA GLU A 114 -10.463 -0.850 -11.592 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -7.916 -1.210 -11.591 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -8.257 -2.916 -11.804 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -7.930 -2.155 -13.991 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -9.675 -2.213 -13.843 1.00 0.00 H new ATOM 1835 N TYR A 115 -10.898 -3.854 -10.486 1.00 0.00 N ATOM 1836 CA TYR A 115 -11.717 -5.048 -10.585 1.00 0.00 C ATOM 1837 C TYR A 115 -13.003 -4.901 -9.772 1.00 0.00 C ATOM 1838 O TYR A 115 -14.032 -5.477 -10.117 1.00 0.00 O ATOM 1839 CB TYR A 115 -10.929 -6.263 -10.104 1.00 0.00 C ATOM 1840 CG TYR A 115 -9.652 -6.502 -10.876 1.00 0.00 C ATOM 1841 CD1 TYR A 115 -9.502 -7.622 -11.682 1.00 0.00 C ATOM 1842 CD2 TYR A 115 -8.594 -5.606 -10.796 1.00 0.00 C ATOM 1843 CE1 TYR A 115 -8.335 -7.844 -12.388 1.00 0.00 C ATOM 1844 CE2 TYR A 115 -7.424 -5.818 -11.499 1.00 0.00 C ATOM 1845 CZ TYR A 115 -7.298 -6.939 -12.292 1.00 0.00 C ATOM 1846 OH TYR A 115 -6.135 -7.155 -12.994 1.00 0.00 O ATOM 0 H TYR A 115 -10.366 -3.778 -9.619 1.00 0.00 H new ATOM 0 HA TYR A 115 -11.991 -5.188 -11.631 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -10.687 -6.134 -9.049 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -11.560 -7.148 -10.180 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -10.312 -8.333 -11.759 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -8.688 -4.728 -10.173 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -8.235 -8.720 -13.011 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -6.612 -5.109 -11.428 1.00 0.00 H new ATOM 0 HH TYR A 115 -5.506 -6.424 -12.818 1.00 0.00 H new ATOM 1856 N GLU A 116 -12.928 -4.118 -8.693 1.00 0.00 N ATOM 1857 CA GLU A 116 -14.080 -3.869 -7.819 1.00 0.00 C ATOM 1858 C GLU A 116 -14.269 -4.983 -6.789 1.00 0.00 C ATOM 1859 O GLU A 116 -14.385 -4.718 -5.593 1.00 0.00 O ATOM 1860 CB GLU A 116 -15.363 -3.693 -8.635 1.00 0.00 C ATOM 1861 CG GLU A 116 -15.180 -2.848 -9.886 1.00 0.00 C ATOM 1862 CD GLU A 116 -16.447 -2.121 -10.291 1.00 0.00 C ATOM 1863 OE1 GLU A 116 -16.951 -1.313 -9.484 1.00 0.00 O ATOM 1864 OE2 GLU A 116 -16.937 -2.360 -11.416 1.00 0.00 O ATOM 0 H GLU A 116 -12.075 -3.642 -8.401 1.00 0.00 H new ATOM 0 HA GLU A 116 -13.871 -2.944 -7.282 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -15.738 -4.675 -8.922 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -16.124 -3.233 -8.005 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -14.387 -2.120 -9.715 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -14.854 -3.487 -10.707 1.00 0.00 H new ATOM 1871 N SER A 117 -14.310 -6.225 -7.261 1.00 0.00 N ATOM 1872 CA SER A 117 -14.500 -7.381 -6.381 1.00 0.00 C ATOM 1873 C SER A 117 -13.596 -7.308 -5.148 1.00 0.00 C ATOM 1874 O SER A 117 -13.949 -6.671 -4.155 1.00 0.00 O ATOM 1875 CB SER A 117 -14.260 -8.680 -7.154 1.00 0.00 C ATOM 1876 OG SER A 117 -15.390 -9.024 -7.937 1.00 0.00 O ATOM 0 H SER A 117 -14.214 -6.461 -8.249 1.00 0.00 H new ATOM 0 HA SER A 117 -15.531 -7.367 -6.028 1.00 0.00 H new ATOM 0 HB2 SER A 117 -13.388 -8.568 -7.798 1.00 0.00 H new ATOM 0 HB3 SER A 117 -14.038 -9.487 -6.455 1.00 0.00 H new ATOM 0 HG SER A 117 -15.211 -9.856 -8.422 1.00 0.00 H new ATOM 1882 N ASN A 118 -12.437 -7.970 -5.203 1.00 0.00 N ATOM 1883 CA ASN A 118 -11.496 -7.984 -4.081 1.00 0.00 C ATOM 1884 C ASN A 118 -12.237 -8.156 -2.757 1.00 0.00 C ATOM 1885 O ASN A 118 -11.823 -7.618 -1.730 1.00 0.00 O ATOM 1886 CB ASN A 118 -10.668 -6.696 -4.054 1.00 0.00 C ATOM 1887 CG ASN A 118 -11.499 -5.454 -4.315 1.00 0.00 C ATOM 1888 OD1 ASN A 118 -11.483 -4.980 -5.555 1.00 0.00 O flip ATOM 1889 ND2 ASN A 118 -12.148 -4.928 -3.410 1.00 0.00 N flip ATOM 0 H ASN A 118 -12.128 -8.504 -6.015 1.00 0.00 H new ATOM 0 HA ASN A 118 -10.823 -8.830 -4.217 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -10.181 -6.604 -3.083 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -9.878 -6.762 -4.802 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -12.131 -5.327 -2.471 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -12.703 -4.093 -3.599 1.00 0.00 H new ATOM 1896 N ALA A 119 -13.351 -8.882 -2.802 1.00 0.00 N ATOM 1897 CA ALA A 119 -14.170 -9.097 -1.615 1.00 0.00 C ATOM 1898 C ALA A 119 -14.070 -10.521 -1.069 1.00 0.00 C ATOM 1899 O ALA A 119 -15.041 -11.041 -0.516 1.00 0.00 O ATOM 1900 CB ALA A 119 -15.616 -8.763 -1.933 1.00 0.00 C ATOM 0 H ALA A 119 -13.706 -9.330 -3.647 1.00 0.00 H new ATOM 0 HA ALA A 119 -13.789 -8.437 -0.836 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -16.230 -8.923 -1.047 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -15.689 -7.720 -2.241 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -15.969 -9.406 -2.740 1.00 0.00 H new ATOM 1906 N THR A 120 -12.907 -11.151 -1.201 1.00 0.00 N ATOM 1907 CA THR A 120 -12.731 -12.506 -0.687 1.00 0.00 C ATOM 1908 C THR A 120 -11.272 -12.761 -0.342 1.00 0.00 C ATOM 1909 O THR A 120 -10.370 -12.217 -0.979 1.00 0.00 O ATOM 1910 CB THR A 120 -13.234 -13.550 -1.695 1.00 0.00 C ATOM 1911 OG1 THR A 120 -12.151 -14.236 -2.303 1.00 0.00 O ATOM 1912 CG2 THR A 120 -14.087 -12.968 -2.805 1.00 0.00 C ATOM 0 H THR A 120 -12.083 -10.753 -1.652 1.00 0.00 H new ATOM 0 HA THR A 120 -13.326 -12.600 0.222 1.00 0.00 H new ATOM 0 HB THR A 120 -13.851 -14.228 -1.106 1.00 0.00 H new ATOM 0 HG1 THR A 120 -12.493 -14.998 -2.815 1.00 0.00 H new ATOM 0 HG21 THR A 120 -14.404 -13.766 -3.476 1.00 0.00 H new ATOM 0 HG22 THR A 120 -14.964 -12.485 -2.375 1.00 0.00 H new ATOM 0 HG23 THR A 120 -13.506 -12.234 -3.363 1.00 0.00 H new ATOM 1920 N ASN A 121 -11.039 -13.601 0.660 1.00 0.00 N ATOM 1921 CA ASN A 121 -9.681 -13.929 1.078 1.00 0.00 C ATOM 1922 C ASN A 121 -8.968 -14.779 0.035 1.00 0.00 C ATOM 1923 O ASN A 121 -8.015 -15.493 0.352 1.00 0.00 O ATOM 1924 CB ASN A 121 -9.699 -14.653 2.425 1.00 0.00 C ATOM 1925 CG ASN A 121 -10.659 -15.827 2.438 1.00 0.00 C ATOM 1926 OD1 ASN A 121 -11.890 -15.579 2.873 1.00 0.00 O flip ATOM 1927 ND2 ASN A 121 -10.300 -16.941 2.061 1.00 0.00 N flip ATOM 0 H ASN A 121 -11.771 -14.066 1.197 1.00 0.00 H new ATOM 0 HA ASN A 121 -9.131 -12.994 1.183 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -8.694 -15.006 2.658 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -9.979 -13.949 3.209 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -9.344 -17.086 1.735 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -10.958 -17.720 2.074 1.00 0.00 H new ATOM 1934 N GLU A 122 -9.418 -14.690 -1.211 1.00 0.00 N ATOM 1935 CA GLU A 122 -8.809 -15.433 -2.291 1.00 0.00 C ATOM 1936 C GLU A 122 -9.250 -14.847 -3.621 1.00 0.00 C ATOM 1937 O GLU A 122 -9.262 -15.533 -4.643 1.00 0.00 O ATOM 1938 CB GLU A 122 -9.185 -16.914 -2.208 1.00 0.00 C ATOM 1939 CG GLU A 122 -7.993 -17.850 -2.317 1.00 0.00 C ATOM 1940 CD GLU A 122 -8.402 -19.284 -2.589 1.00 0.00 C ATOM 1941 OE1 GLU A 122 -7.884 -19.877 -3.557 1.00 0.00 O ATOM 1942 OE2 GLU A 122 -9.244 -19.816 -1.834 1.00 0.00 O ATOM 0 H GLU A 122 -10.206 -14.106 -1.492 1.00 0.00 H new ATOM 0 HA GLU A 122 -7.725 -15.356 -2.207 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -9.696 -17.098 -1.263 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -9.893 -17.146 -3.004 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -7.337 -17.505 -3.116 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -7.418 -17.809 -1.392 1.00 0.00 H new ATOM 1949 N LEU A 123 -9.623 -13.566 -3.601 1.00 0.00 N ATOM 1950 CA LEU A 123 -10.071 -12.897 -4.798 1.00 0.00 C ATOM 1951 C LEU A 123 -9.224 -11.662 -5.042 1.00 0.00 C ATOM 1952 O LEU A 123 -8.589 -11.526 -6.086 1.00 0.00 O ATOM 1953 CB LEU A 123 -11.536 -12.527 -4.653 1.00 0.00 C ATOM 1954 CG LEU A 123 -12.204 -12.058 -5.930 1.00 0.00 C ATOM 1955 CD1 LEU A 123 -13.698 -11.950 -5.716 1.00 0.00 C ATOM 1956 CD2 LEU A 123 -11.610 -10.731 -6.358 1.00 0.00 C ATOM 0 H LEU A 123 -9.620 -12.982 -2.765 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.963 -13.562 -5.655 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -12.079 -13.393 -4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -11.625 -11.741 -3.903 1.00 0.00 H new ATOM 0 HG LEU A 123 -12.028 -12.781 -6.726 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -14.174 -11.612 -6.637 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -14.097 -12.925 -5.438 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -13.901 -11.234 -4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -12.092 -10.396 -7.276 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -11.770 -9.991 -5.574 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -10.541 -10.850 -6.532 1.00 0.00 H new ATOM 1968 N LEU A 124 -9.191 -10.775 -4.057 1.00 0.00 N ATOM 1969 CA LEU A 124 -8.387 -9.570 -4.159 1.00 0.00 C ATOM 1970 C LEU A 124 -6.961 -9.952 -4.534 1.00 0.00 C ATOM 1971 O LEU A 124 -6.353 -9.351 -5.419 1.00 0.00 O ATOM 1972 CB LEU A 124 -8.430 -8.797 -2.843 1.00 0.00 C ATOM 1973 CG LEU A 124 -7.149 -8.817 -2.012 1.00 0.00 C ATOM 1974 CD1 LEU A 124 -6.905 -7.453 -1.407 1.00 0.00 C ATOM 1975 CD2 LEU A 124 -7.233 -9.888 -0.936 1.00 0.00 C ATOM 0 H LEU A 124 -9.709 -10.868 -3.184 1.00 0.00 H new ATOM 0 HA LEU A 124 -8.788 -8.919 -4.936 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -8.681 -7.759 -3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -9.240 -9.199 -2.235 1.00 0.00 H new ATOM 0 HG LEU A 124 -6.307 -9.059 -2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -5.990 -7.476 -0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.805 -6.715 -2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -7.744 -7.184 -0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -6.313 -9.890 -0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -8.078 -9.679 -0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -7.368 -10.863 -1.403 1.00 0.00 H new ATOM 1987 N SER A 125 -6.442 -10.979 -3.859 1.00 0.00 N ATOM 1988 CA SER A 125 -5.094 -11.470 -4.130 1.00 0.00 C ATOM 1989 C SER A 125 -4.886 -11.649 -5.630 1.00 0.00 C ATOM 1990 O SER A 125 -3.775 -11.489 -6.146 1.00 0.00 O ATOM 1991 CB SER A 125 -4.868 -12.804 -3.416 1.00 0.00 C ATOM 1992 OG SER A 125 -5.757 -13.796 -3.896 1.00 0.00 O ATOM 0 H SER A 125 -6.935 -11.484 -3.123 1.00 0.00 H new ATOM 0 HA SER A 125 -4.377 -10.738 -3.758 1.00 0.00 H new ATOM 0 HB2 SER A 125 -3.839 -13.130 -3.566 1.00 0.00 H new ATOM 0 HB3 SER A 125 -5.008 -12.674 -2.343 1.00 0.00 H new ATOM 0 HG SER A 125 -5.591 -14.639 -3.425 1.00 0.00 H new ATOM 1998 N SER A 126 -5.968 -11.982 -6.323 1.00 0.00 N ATOM 1999 CA SER A 126 -5.922 -12.190 -7.761 1.00 0.00 C ATOM 2000 C SER A 126 -5.513 -10.927 -8.485 1.00 0.00 C ATOM 2001 O SER A 126 -4.536 -10.910 -9.233 1.00 0.00 O ATOM 2002 CB SER A 126 -7.292 -12.637 -8.258 1.00 0.00 C ATOM 2003 OG SER A 126 -7.178 -13.629 -9.263 1.00 0.00 O ATOM 0 H SER A 126 -6.891 -12.114 -5.908 1.00 0.00 H new ATOM 0 HA SER A 126 -5.180 -12.961 -7.968 1.00 0.00 H new ATOM 0 HB2 SER A 126 -7.874 -13.028 -7.423 1.00 0.00 H new ATOM 0 HB3 SER A 126 -7.836 -11.778 -8.652 1.00 0.00 H new ATOM 0 HG SER A 126 -8.072 -13.897 -9.561 1.00 0.00 H new ATOM 2009 N HIS A 127 -6.266 -9.870 -8.256 1.00 0.00 N ATOM 2010 CA HIS A 127 -5.985 -8.600 -8.890 1.00 0.00 C ATOM 2011 C HIS A 127 -4.601 -8.125 -8.497 1.00 0.00 C ATOM 2012 O HIS A 127 -3.889 -7.544 -9.303 1.00 0.00 O ATOM 2013 CB HIS A 127 -7.043 -7.564 -8.519 1.00 0.00 C ATOM 2014 CG HIS A 127 -8.433 -8.118 -8.518 1.00 0.00 C ATOM 2015 ND1 HIS A 127 -8.962 -9.175 -9.180 1.00 0.00 N flip ATOM 2016 CD2 HIS A 127 -9.460 -7.580 -7.776 1.00 0.00 C flip ATOM 2017 CE1 HIS A 127 -10.284 -9.255 -8.828 1.00 0.00 C flip ATOM 2018 NE2 HIS A 127 -10.560 -8.283 -7.980 1.00 0.00 N flip ATOM 0 H HIS A 127 -7.076 -9.866 -7.636 1.00 0.00 H new ATOM 0 HA HIS A 127 -6.015 -8.732 -9.972 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -6.818 -7.162 -7.531 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -6.990 -6.732 -9.222 1.00 0.00 H new ATOM 0 HD1 HIS A 127 -8.468 -9.796 -9.821 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -9.379 -6.719 -7.129 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -10.986 -9.994 -9.187 1.00 0.00 H new ATOM 2027 N VAL A 128 -4.204 -8.404 -7.261 1.00 0.00 N ATOM 2028 CA VAL A 128 -2.880 -8.014 -6.804 1.00 0.00 C ATOM 2029 C VAL A 128 -1.826 -8.533 -7.772 1.00 0.00 C ATOM 2030 O VAL A 128 -0.942 -7.792 -8.194 1.00 0.00 O ATOM 2031 CB VAL A 128 -2.569 -8.539 -5.387 1.00 0.00 C ATOM 2032 CG1 VAL A 128 -1.205 -8.039 -4.915 1.00 0.00 C ATOM 2033 CG2 VAL A 128 -3.664 -8.128 -4.415 1.00 0.00 C ATOM 0 H VAL A 128 -4.772 -8.892 -6.568 1.00 0.00 H new ATOM 0 HA VAL A 128 -2.861 -6.925 -6.768 1.00 0.00 H new ATOM 0 HB VAL A 128 -2.536 -9.628 -5.421 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.004 -8.420 -3.914 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.432 -8.390 -5.599 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -1.204 -6.949 -4.895 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -3.429 -8.507 -3.420 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -3.732 -7.041 -4.383 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -4.617 -8.542 -4.744 1.00 0.00 H new ATOM 2043 N GLY A 129 -1.943 -9.809 -8.142 1.00 0.00 N ATOM 2044 CA GLY A 129 -0.991 -10.381 -9.077 1.00 0.00 C ATOM 2045 C GLY A 129 -1.200 -9.871 -10.493 1.00 0.00 C ATOM 2046 O GLY A 129 -0.236 -9.639 -11.226 1.00 0.00 O ATOM 0 H GLY A 129 -2.669 -10.447 -7.816 1.00 0.00 H new ATOM 0 HA2 GLY A 129 0.022 -10.143 -8.753 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -1.082 -11.467 -9.067 1.00 0.00 H new ATOM 2050 N GLN A 130 -2.461 -9.695 -10.874 1.00 0.00 N ATOM 2051 CA GLN A 130 -2.803 -9.209 -12.207 1.00 0.00 C ATOM 2052 C GLN A 130 -2.521 -7.713 -12.343 1.00 0.00 C ATOM 2053 O GLN A 130 -2.402 -7.194 -13.452 1.00 0.00 O ATOM 2054 CB GLN A 130 -4.276 -9.491 -12.514 1.00 0.00 C ATOM 2055 CG GLN A 130 -4.561 -10.950 -12.832 1.00 0.00 C ATOM 2056 CD GLN A 130 -3.736 -11.465 -13.996 1.00 0.00 C ATOM 2057 OE1 GLN A 130 -3.001 -12.443 -13.864 1.00 0.00 O ATOM 2058 NE2 GLN A 130 -3.856 -10.806 -15.141 1.00 0.00 N ATOM 0 H GLN A 130 -3.266 -9.882 -10.276 1.00 0.00 H new ATOM 0 HA GLN A 130 -2.178 -9.740 -12.925 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -4.881 -9.189 -11.659 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -4.587 -8.876 -13.358 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -4.357 -11.557 -11.950 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -5.620 -11.068 -13.062 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -4.478 -10.000 -15.203 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -3.326 -11.105 -15.960 1.00 0.00 H new ATOM 2067 N ILE A 131 -2.396 -7.029 -11.208 1.00 0.00 N ATOM 2068 CA ILE A 131 -2.105 -5.603 -11.203 1.00 0.00 C ATOM 2069 C ILE A 131 -0.595 -5.403 -11.169 1.00 0.00 C ATOM 2070 O ILE A 131 -0.070 -4.407 -11.666 1.00 0.00 O ATOM 2071 CB ILE A 131 -2.773 -4.899 -10.006 1.00 0.00 C ATOM 2072 CG1 ILE A 131 -4.287 -5.050 -10.093 1.00 0.00 C ATOM 2073 CG2 ILE A 131 -2.417 -3.419 -9.952 1.00 0.00 C ATOM 2074 CD1 ILE A 131 -4.961 -5.002 -8.749 1.00 0.00 C ATOM 0 H ILE A 131 -2.492 -7.442 -10.281 1.00 0.00 H new ATOM 0 HA ILE A 131 -2.513 -5.157 -12.110 1.00 0.00 H new ATOM 0 HB ILE A 131 -2.402 -5.372 -9.097 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -4.690 -4.258 -10.724 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -4.525 -5.996 -10.579 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -2.907 -2.958 -9.094 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -1.337 -3.308 -9.856 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -2.752 -2.931 -10.867 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -6.037 -5.115 -8.878 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -4.583 -5.811 -8.124 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -4.751 -4.045 -8.271 1.00 0.00 H new ATOM 2086 N LEU A 132 0.090 -6.384 -10.586 1.00 0.00 N ATOM 2087 CA LEU A 132 1.541 -6.366 -10.483 1.00 0.00 C ATOM 2088 C LEU A 132 2.176 -6.507 -11.863 1.00 0.00 C ATOM 2089 O LEU A 132 3.027 -5.709 -12.255 1.00 0.00 O ATOM 2090 CB LEU A 132 2.010 -7.509 -9.578 1.00 0.00 C ATOM 2091 CG LEU A 132 2.212 -7.130 -8.111 1.00 0.00 C ATOM 2092 CD1 LEU A 132 1.528 -8.131 -7.189 1.00 0.00 C ATOM 2093 CD2 LEU A 132 3.694 -7.032 -7.794 1.00 0.00 C ATOM 0 H LEU A 132 -0.346 -7.209 -10.174 1.00 0.00 H new ATOM 0 HA LEU A 132 1.849 -5.413 -10.053 1.00 0.00 H new ATOM 0 HB2 LEU A 132 1.281 -8.317 -9.632 1.00 0.00 H new ATOM 0 HB3 LEU A 132 2.949 -7.900 -9.969 1.00 0.00 H new ATOM 0 HG LEU A 132 1.754 -6.155 -7.942 1.00 0.00 H new ATOM 0 HD11 LEU A 132 1.687 -7.838 -6.151 1.00 0.00 H new ATOM 0 HD12 LEU A 132 0.459 -8.149 -7.401 1.00 0.00 H new ATOM 0 HD13 LEU A 132 1.948 -9.123 -7.354 1.00 0.00 H new ATOM 0 HD21 LEU A 132 3.825 -6.761 -6.746 1.00 0.00 H new ATOM 0 HD22 LEU A 132 4.171 -7.994 -7.983 1.00 0.00 H new ATOM 0 HD23 LEU A 132 4.152 -6.270 -8.425 1.00 0.00 H new ATOM 2105 N ASP A 133 1.754 -7.534 -12.596 1.00 0.00 N ATOM 2106 CA ASP A 133 2.280 -7.783 -13.934 1.00 0.00 C ATOM 2107 C ASP A 133 2.065 -6.572 -14.840 1.00 0.00 C ATOM 2108 O ASP A 133 2.842 -6.328 -15.762 1.00 0.00 O ATOM 2109 CB ASP A 133 1.616 -9.018 -14.546 1.00 0.00 C ATOM 2110 CG ASP A 133 2.476 -9.674 -15.608 1.00 0.00 C ATOM 2111 OD1 ASP A 133 3.185 -10.648 -15.276 1.00 0.00 O ATOM 2112 OD2 ASP A 133 2.442 -9.216 -16.769 1.00 0.00 O ATOM 0 H ASP A 133 1.051 -8.205 -12.287 1.00 0.00 H new ATOM 0 HA ASP A 133 3.352 -7.962 -13.847 1.00 0.00 H new ATOM 0 HB2 ASP A 133 1.404 -9.740 -13.758 1.00 0.00 H new ATOM 0 HB3 ASP A 133 0.659 -8.733 -14.983 1.00 0.00 H new ATOM 2117 N SER A 134 1.005 -5.817 -14.568 1.00 0.00 N ATOM 2118 CA SER A 134 0.691 -4.631 -15.357 1.00 0.00 C ATOM 2119 C SER A 134 1.191 -3.360 -14.668 1.00 0.00 C ATOM 2120 O SER A 134 1.219 -2.289 -15.273 1.00 0.00 O ATOM 2121 CB SER A 134 -0.817 -4.534 -15.592 1.00 0.00 C ATOM 2122 OG SER A 134 -1.195 -5.220 -16.775 1.00 0.00 O ATOM 0 H SER A 134 0.350 -6.005 -13.809 1.00 0.00 H new ATOM 0 HA SER A 134 1.200 -4.724 -16.317 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.349 -4.954 -14.739 1.00 0.00 H new ATOM 0 HB3 SER A 134 -1.110 -3.487 -15.666 1.00 0.00 H new ATOM 0 HG SER A 134 -2.164 -5.144 -16.902 1.00 0.00 H new ATOM 2128 N PHE A 135 1.584 -3.485 -13.402 1.00 0.00 N ATOM 2129 CA PHE A 135 2.077 -2.344 -12.640 1.00 0.00 C ATOM 2130 C PHE A 135 3.290 -1.713 -13.322 1.00 0.00 C ATOM 2131 O PHE A 135 3.283 -0.524 -13.643 1.00 0.00 O ATOM 2132 CB PHE A 135 2.435 -2.776 -11.210 1.00 0.00 C ATOM 2133 CG PHE A 135 3.392 -1.848 -10.515 1.00 0.00 C ATOM 2134 CD1 PHE A 135 4.601 -2.316 -10.031 1.00 0.00 C ATOM 2135 CD2 PHE A 135 3.084 -0.506 -10.357 1.00 0.00 C ATOM 2136 CE1 PHE A 135 5.486 -1.464 -9.399 1.00 0.00 C ATOM 2137 CE2 PHE A 135 3.964 0.351 -9.725 1.00 0.00 C ATOM 2138 CZ PHE A 135 5.168 -0.129 -9.246 1.00 0.00 C ATOM 0 H PHE A 135 1.570 -4.364 -12.885 1.00 0.00 H new ATOM 0 HA PHE A 135 1.285 -1.596 -12.596 1.00 0.00 H new ATOM 0 HB2 PHE A 135 1.520 -2.845 -10.622 1.00 0.00 H new ATOM 0 HB3 PHE A 135 2.870 -3.775 -11.241 1.00 0.00 H new ATOM 0 HD1 PHE A 135 4.856 -3.359 -10.149 1.00 0.00 H new ATOM 0 HD2 PHE A 135 2.145 -0.126 -10.732 1.00 0.00 H new ATOM 0 HE1 PHE A 135 6.426 -1.842 -9.025 1.00 0.00 H new ATOM 0 HE2 PHE A 135 3.711 1.394 -9.605 1.00 0.00 H new ATOM 0 HZ PHE A 135 5.859 0.539 -8.753 1.00 0.00 H new