USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 923 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 MET CE :methyl -175:sc= -0.053 (180deg=-0.12) USER MOD Set 1.2: A 94 TYR OH : rot -9:sc= 0.328 USER MOD Set 2.1: A 25 TYR OH : rot 31:sc= 0.355 USER MOD Set 2.2: A 47 HIS : no HE2:sc= -1.98 K(o=-0.8,f=-5.7!) USER MOD Set 2.3: A 79 THR OG1 : rot 73:sc= 0.834 USER MOD Set 3.1: A 61 ASN : amide:sc= -0.179 K(o=0.14,f=-1.9!) USER MOD Set 3.2: A 74 SER OG : rot 54:sc= 0.319 USER MOD Set 4.1: A 44 THR OG1 : rot -173:sc= 0.879 USER MOD Set 4.2: A 80 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 13 HIS : no HE2:sc= -1.56! C(o=-1.5!,f=-4!) USER MOD Set 5.2: A 40 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0801) USER MOD Set 5.3: A 43 ASN : amide:sc= 0.0991 K(o=-1.5,f=-4) USER MOD Set 6.1: A 4 SER OG : rot -50:sc= 0.399 USER MOD Set 6.2: A 8 HIS :FLIP no HD1:sc= 0.204 F(o=-0.19,f=0.6) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 63:sc= 0.918 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot -16:sc= 0.504 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 19:sc= 1.16 USER MOD Single : A 37 SER OG : rot 53:sc= 0.0512 USER MOD Single : A 49 ASN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.0504 X(o=-0.05,f=-0.05) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN :FLIP amide:sc= -0.0751 F(o=-1.6,f=-0.075) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= -0.0228 X(o=-0.023,f=0.052) USER MOD Single : A 72 SER OG : rot 170:sc= 0.0347 USER MOD Single : A 73 LYS NZ :NH3+ 164:sc= -0.0414 (180deg=-0.294) USER MOD Single : A 75 SER OG : rot 114:sc= 0.218 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.774 X(o=-0.77,f=-0.45) USER MOD Single : A 87 SER OG : rot 111:sc= 0.31 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 109 ASN : amide:sc= -0.219 K(o=-0.22,f=-2.6!) USER MOD Single : A 114 HIS :FLIP no HD1:sc= -0.174 F(o=-0.69,f=-0.17) USER MOD Single : A 117 GLN : amide:sc= -0.451 K(o=-0.45,f=-1.8) USER MOD Single : A 118 SER OG : rot 120:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N ASN A 3 4.696 -4.999 2.156 1.00 0.00 N ATOM 33 CA ASN A 3 5.418 -5.251 3.384 1.00 0.00 C ATOM 34 C ASN A 3 5.346 -3.977 4.160 1.00 0.00 C ATOM 35 O ASN A 3 5.234 -3.984 5.384 1.00 0.00 O ATOM 36 CB ASN A 3 6.892 -5.717 3.319 1.00 0.00 C ATOM 37 CG ASN A 3 7.376 -6.100 4.720 1.00 0.00 C ATOM 38 OD1 ASN A 3 6.815 -6.987 5.375 1.00 0.00 O ATOM 39 ND2 ASN A 3 8.464 -5.404 5.172 1.00 0.00 N ATOM 0 HA ASN A 3 4.933 -6.120 3.828 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.984 -6.570 2.646 1.00 0.00 H new ATOM 0 HB3 ASN A 3 7.517 -4.922 2.913 1.00 0.00 H new ATOM 0 HD21 ASN A 3 8.853 -5.607 6.093 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.886 -4.682 4.588 1.00 0.00 H new ATOM 46 N SER A 4 5.385 -2.844 3.427 1.00 0.00 N ATOM 47 CA SER A 4 5.325 -1.519 3.974 1.00 0.00 C ATOM 48 C SER A 4 3.893 -1.079 4.095 1.00 0.00 C ATOM 49 O SER A 4 3.619 0.020 4.569 1.00 0.00 O ATOM 50 CB SER A 4 6.081 -0.515 3.086 1.00 0.00 C ATOM 51 OG SER A 4 6.340 0.691 3.788 1.00 0.00 O ATOM 0 H SER A 4 5.462 -2.853 2.410 1.00 0.00 H new ATOM 0 HA SER A 4 5.795 -1.543 4.957 1.00 0.00 H new ATOM 0 HB2 SER A 4 7.021 -0.955 2.753 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.495 -0.301 2.192 1.00 0.00 H new ATOM 0 HG SER A 4 5.511 1.016 4.198 1.00 0.00 H new ATOM 57 N ARG A 5 2.947 -1.947 3.670 1.00 0.00 N ATOM 58 CA ARG A 5 1.536 -1.800 3.875 1.00 0.00 C ATOM 59 C ARG A 5 1.277 -1.862 5.344 1.00 0.00 C ATOM 60 O ARG A 5 0.671 -0.960 5.932 1.00 0.00 O ATOM 61 CB ARG A 5 0.760 -2.974 3.237 1.00 0.00 C ATOM 62 CG ARG A 5 0.810 -3.024 1.705 1.00 0.00 C ATOM 63 CD ARG A 5 -0.389 -2.370 1.006 1.00 0.00 C ATOM 64 NE ARG A 5 -0.514 -0.964 1.482 1.00 0.00 N ATOM 65 CZ ARG A 5 -1.189 -0.019 0.762 1.00 0.00 C ATOM 66 NH1 ARG A 5 -1.751 -0.332 -0.441 1.00 0.00 N ATOM 67 NH2 ARG A 5 -1.305 1.249 1.255 1.00 0.00 N ATOM 0 H ARG A 5 3.183 -2.796 3.156 1.00 0.00 H new ATOM 0 HA ARG A 5 1.215 -0.859 3.429 1.00 0.00 H new ATOM 0 HB2 ARG A 5 1.158 -3.910 3.630 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -0.282 -2.914 3.550 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.723 -2.533 1.368 1.00 0.00 H new ATOM 0 HG3 ARG A 5 0.874 -4.066 1.390 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -0.253 -2.392 -0.075 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.302 -2.925 1.224 1.00 0.00 H new ATOM 0 HE ARG A 5 -0.084 -0.700 2.369 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -1.669 -1.279 -0.811 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -2.253 0.381 -0.970 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -0.889 1.486 2.156 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -1.808 1.959 0.723 1.00 0.00 H new ATOM 81 N TYR A 6 1.769 -2.959 5.956 1.00 0.00 N ATOM 82 CA TYR A 6 1.675 -3.220 7.341 1.00 0.00 C ATOM 83 C TYR A 6 2.421 -2.241 8.168 1.00 0.00 C ATOM 84 O TYR A 6 1.883 -1.851 9.196 1.00 0.00 O ATOM 85 CB TYR A 6 2.227 -4.615 7.497 1.00 0.00 C ATOM 86 CG TYR A 6 2.893 -4.944 8.763 1.00 0.00 C ATOM 87 CD1 TYR A 6 2.198 -5.062 9.935 1.00 0.00 C ATOM 88 CD2 TYR A 6 4.197 -5.371 8.694 1.00 0.00 C ATOM 89 CE1 TYR A 6 2.792 -5.621 11.034 1.00 0.00 C ATOM 90 CE2 TYR A 6 4.811 -5.902 9.803 1.00 0.00 C ATOM 91 CZ TYR A 6 4.112 -6.019 10.989 1.00 0.00 C ATOM 92 OH TYR A 6 4.736 -6.551 12.135 1.00 0.00 O ATOM 0 H TYR A 6 2.256 -3.696 5.446 1.00 0.00 H new ATOM 0 HA TYR A 6 0.647 -3.132 7.692 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.407 -5.319 7.356 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.938 -4.788 6.689 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.178 -4.713 9.993 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.742 -5.289 7.765 1.00 0.00 H new ATOM 0 HE1 TYR A 6 2.223 -5.751 11.943 1.00 0.00 H new ATOM 0 HE2 TYR A 6 5.839 -6.228 9.747 1.00 0.00 H new ATOM 0 HH TYR A 6 5.665 -6.780 11.925 1.00 0.00 H new ATOM 102 N THR A 7 3.646 -1.821 7.784 1.00 0.00 N ATOM 103 CA THR A 7 4.342 -0.875 8.609 1.00 0.00 C ATOM 104 C THR A 7 4.018 0.578 8.354 1.00 0.00 C ATOM 105 O THR A 7 4.459 1.432 9.117 1.00 0.00 O ATOM 106 CB THR A 7 5.796 -1.168 8.885 1.00 0.00 C ATOM 107 OG1 THR A 7 6.653 -0.089 8.539 1.00 0.00 O ATOM 108 CG2 THR A 7 6.280 -2.425 8.151 1.00 0.00 C ATOM 0 H THR A 7 4.137 -2.120 6.941 1.00 0.00 H new ATOM 0 HA THR A 7 3.884 -1.063 9.580 1.00 0.00 H new ATOM 0 HB THR A 7 5.850 -1.328 9.962 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.581 -0.331 8.740 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.332 -2.597 8.379 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.693 -3.284 8.475 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.159 -2.288 7.076 1.00 0.00 H new ATOM 116 N HIS A 8 3.176 0.908 7.343 1.00 0.00 N ATOM 117 CA HIS A 8 2.564 2.217 7.291 1.00 0.00 C ATOM 118 C HIS A 8 1.435 2.263 8.269 1.00 0.00 C ATOM 119 O HIS A 8 1.224 3.282 8.932 1.00 0.00 O ATOM 120 CB HIS A 8 1.995 2.635 5.926 1.00 0.00 C ATOM 121 CG HIS A 8 3.055 3.148 4.999 1.00 0.00 C ATOM 122 ND1 HIS A 8 4.378 2.877 4.933 1.00 0.00 N flip ATOM 123 CD2 HIS A 8 2.773 4.036 3.998 1.00 0.00 C flip ATOM 124 CE1 HIS A 8 4.885 3.603 3.889 1.00 0.00 C flip ATOM 125 NE2 HIS A 8 3.895 4.293 3.341 1.00 0.00 N flip ATOM 0 H HIS A 8 2.922 0.285 6.577 1.00 0.00 H new ATOM 0 HA HIS A 8 3.373 2.911 7.519 1.00 0.00 H new ATOM 0 HB2 HIS A 8 1.496 1.782 5.467 1.00 0.00 H new ATOM 0 HB3 HIS A 8 1.239 3.406 6.071 1.00 0.00 H new ATOM 0 HD2 HIS A 8 1.802 4.456 3.780 1.00 0.00 H new ATOM 0 HE1 HIS A 8 5.916 3.612 3.567 1.00 0.00 H new ATOM 0 HE2 HIS A 8 3.983 4.921 2.542 1.00 0.00 H new ATOM 134 N PHE A 9 0.719 1.119 8.387 1.00 0.00 N ATOM 135 CA PHE A 9 -0.243 0.870 9.436 1.00 0.00 C ATOM 136 C PHE A 9 0.427 0.950 10.789 1.00 0.00 C ATOM 137 O PHE A 9 -0.174 1.467 11.724 1.00 0.00 O ATOM 138 CB PHE A 9 -1.010 -0.468 9.206 1.00 0.00 C ATOM 139 CG PHE A 9 -1.576 -1.147 10.423 1.00 0.00 C ATOM 140 CD1 PHE A 9 -2.720 -0.667 11.038 1.00 0.00 C ATOM 141 CD2 PHE A 9 -1.043 -2.348 10.873 1.00 0.00 C ATOM 142 CE1 PHE A 9 -3.290 -1.367 12.083 1.00 0.00 C ATOM 143 CE2 PHE A 9 -1.616 -3.043 11.923 1.00 0.00 C ATOM 144 CZ PHE A 9 -2.752 -2.548 12.525 1.00 0.00 C ATOM 0 H PHE A 9 0.811 0.342 7.733 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.004 1.650 9.410 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -1.830 -0.274 8.514 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.334 -1.166 8.712 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.167 0.256 10.700 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.162 -2.748 10.393 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.176 -0.977 12.561 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.176 -3.967 12.268 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.215 -3.086 13.339 1.00 0.00 H new ATOM 154 N LEU A 10 1.691 0.476 10.932 1.00 0.00 N ATOM 155 CA LEU A 10 2.395 0.503 12.192 1.00 0.00 C ATOM 156 C LEU A 10 3.039 1.820 12.473 1.00 0.00 C ATOM 157 O LEU A 10 3.348 2.080 13.631 1.00 0.00 O ATOM 158 CB LEU A 10 3.487 -0.581 12.372 1.00 0.00 C ATOM 159 CG LEU A 10 2.974 -2.037 12.298 1.00 0.00 C ATOM 160 CD1 LEU A 10 3.759 -3.015 13.161 1.00 0.00 C ATOM 161 CD2 LEU A 10 1.543 -2.233 12.770 1.00 0.00 C ATOM 0 H LEU A 10 2.229 0.070 10.166 1.00 0.00 H new ATOM 0 HA LEU A 10 1.590 0.300 12.898 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.249 -0.440 11.605 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.973 -0.430 13.336 1.00 0.00 H new ATOM 0 HG LEU A 10 3.083 -2.234 11.231 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.337 -4.014 13.054 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.802 -3.025 12.843 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.701 -2.707 14.205 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.272 -3.285 12.681 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.458 -1.923 13.811 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.872 -1.632 12.156 1.00 0.00 H new ATOM 173 N THR A 11 3.252 2.683 11.454 1.00 0.00 N ATOM 174 CA THR A 11 3.757 4.010 11.688 1.00 0.00 C ATOM 175 C THR A 11 2.690 4.779 12.380 1.00 0.00 C ATOM 176 O THR A 11 2.931 5.383 13.425 1.00 0.00 O ATOM 177 CB THR A 11 4.200 4.742 10.435 1.00 0.00 C ATOM 178 OG1 THR A 11 5.298 4.055 9.857 1.00 0.00 O ATOM 179 CG2 THR A 11 4.654 6.182 10.744 1.00 0.00 C ATOM 0 H THR A 11 3.076 2.464 10.474 1.00 0.00 H new ATOM 0 HA THR A 11 4.658 3.920 12.294 1.00 0.00 H new ATOM 0 HB THR A 11 3.348 4.778 9.756 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.016 3.156 9.586 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.963 6.672 9.821 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.828 6.736 11.190 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.492 6.158 11.440 1.00 0.00 H new ATOM 187 N GLN A 12 1.481 4.760 11.793 1.00 0.00 N ATOM 188 CA GLN A 12 0.428 5.609 12.258 1.00 0.00 C ATOM 189 C GLN A 12 -0.374 5.052 13.395 1.00 0.00 C ATOM 190 O GLN A 12 -1.126 5.806 14.009 1.00 0.00 O ATOM 191 CB GLN A 12 -0.453 6.099 11.096 1.00 0.00 C ATOM 192 CG GLN A 12 -1.364 5.039 10.481 1.00 0.00 C ATOM 193 CD GLN A 12 -1.872 5.561 9.139 1.00 0.00 C ATOM 194 OE1 GLN A 12 -1.504 5.045 8.077 1.00 0.00 O ATOM 195 NE2 GLN A 12 -2.746 6.612 9.209 1.00 0.00 N ATOM 0 H GLN A 12 1.233 4.163 11.004 1.00 0.00 H new ATOM 0 HA GLN A 12 0.927 6.477 12.690 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.070 6.924 11.452 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.193 6.498 10.314 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.820 4.105 10.343 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.201 4.825 11.146 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.012 6.995 10.116 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.132 7.013 8.354 1.00 0.00 H new ATOM 204 N HIS A 13 -0.234 3.746 13.721 1.00 0.00 N ATOM 205 CA HIS A 13 -0.911 3.184 14.835 1.00 0.00 C ATOM 206 C HIS A 13 0.054 2.676 15.856 1.00 0.00 C ATOM 207 O HIS A 13 -0.096 3.015 17.025 1.00 0.00 O ATOM 208 CB HIS A 13 -1.827 2.050 14.397 1.00 0.00 C ATOM 209 CG HIS A 13 -2.918 2.570 13.508 1.00 0.00 C ATOM 210 ND1 HIS A 13 -4.080 3.088 14.003 1.00 0.00 N ATOM 211 CD2 HIS A 13 -2.949 2.743 12.169 1.00 0.00 C ATOM 212 CE1 HIS A 13 -4.812 3.531 12.993 1.00 0.00 C ATOM 213 NE2 HIS A 13 -4.150 3.329 11.864 1.00 0.00 N ATOM 0 H HIS A 13 0.351 3.088 13.206 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.510 3.977 15.283 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -1.250 1.292 13.868 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.262 1.567 15.272 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -4.341 3.127 14.988 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -2.173 2.471 11.469 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -5.789 3.983 13.076 1.00 0.00 H new ATOM 222 N TYR A 14 1.050 1.838 15.483 1.00 0.00 N ATOM 223 CA TYR A 14 1.807 1.141 16.490 1.00 0.00 C ATOM 224 C TYR A 14 2.828 2.066 17.081 1.00 0.00 C ATOM 225 O TYR A 14 3.709 2.584 16.397 1.00 0.00 O ATOM 226 CB TYR A 14 2.482 -0.130 15.955 1.00 0.00 C ATOM 227 CG TYR A 14 3.255 -0.840 17.009 1.00 0.00 C ATOM 228 CD1 TYR A 14 2.624 -1.486 18.056 1.00 0.00 C ATOM 229 CD2 TYR A 14 4.629 -0.902 16.898 1.00 0.00 C ATOM 230 CE1 TYR A 14 3.368 -2.168 18.998 1.00 0.00 C ATOM 231 CE2 TYR A 14 5.374 -1.566 17.847 1.00 0.00 C ATOM 232 CZ TYR A 14 4.743 -2.198 18.894 1.00 0.00 C ATOM 233 OH TYR A 14 5.521 -2.862 19.860 1.00 0.00 O ATOM 0 H TYR A 14 1.324 1.647 14.519 1.00 0.00 H new ATOM 0 HA TYR A 14 1.106 0.819 17.260 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.723 -0.799 15.550 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.148 0.132 15.133 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.547 -1.457 18.137 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.123 -0.427 16.063 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.875 -2.676 19.814 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.451 -1.591 17.770 1.00 0.00 H new ATOM 0 HH TYR A 14 4.979 -3.026 20.660 1.00 0.00 H new ATOM 243 N ASP A 15 2.702 2.284 18.402 1.00 0.00 N ATOM 244 CA ASP A 15 3.585 3.111 19.152 1.00 0.00 C ATOM 245 C ASP A 15 3.790 2.271 20.359 1.00 0.00 C ATOM 246 O ASP A 15 2.949 2.271 21.254 1.00 0.00 O ATOM 247 CB ASP A 15 2.986 4.476 19.550 1.00 0.00 C ATOM 248 CG ASP A 15 4.005 5.192 20.428 1.00 0.00 C ATOM 249 OD1 ASP A 15 5.125 5.476 19.925 1.00 0.00 O ATOM 250 OD2 ASP A 15 3.676 5.472 21.611 1.00 0.00 O ATOM 0 H ASP A 15 1.959 1.869 18.964 1.00 0.00 H new ATOM 0 HA ASP A 15 4.481 3.381 18.592 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.762 5.069 18.663 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.047 4.340 20.087 1.00 0.00 H new ATOM 255 N ALA A 16 4.909 1.513 20.348 1.00 0.00 N ATOM 256 CA ALA A 16 5.276 0.436 21.244 1.00 0.00 C ATOM 257 C ALA A 16 4.987 0.621 22.694 1.00 0.00 C ATOM 258 O ALA A 16 4.464 -0.286 23.337 1.00 0.00 O ATOM 259 CB ALA A 16 6.753 0.040 21.139 1.00 0.00 C ATOM 0 H ALA A 16 5.630 1.667 19.643 1.00 0.00 H new ATOM 0 HA ALA A 16 4.613 -0.347 20.877 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.963 -0.772 21.836 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.970 -0.289 20.123 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.378 0.899 21.384 1.00 0.00 H new ATOM 265 N LYS A 17 5.313 1.803 23.238 1.00 0.00 N ATOM 266 CA LYS A 17 4.771 2.181 24.509 1.00 0.00 C ATOM 267 C LYS A 17 4.749 3.693 24.544 1.00 0.00 C ATOM 268 O LYS A 17 5.682 4.322 24.046 1.00 0.00 O ATOM 269 CB LYS A 17 5.517 1.632 25.756 1.00 0.00 C ATOM 270 CG LYS A 17 7.036 1.368 25.648 1.00 0.00 C ATOM 271 CD LYS A 17 7.943 2.604 25.575 1.00 0.00 C ATOM 272 CE LYS A 17 9.428 2.252 25.700 1.00 0.00 C ATOM 273 NZ LYS A 17 10.253 3.477 25.604 1.00 0.00 N ATOM 0 H LYS A 17 5.938 2.487 22.812 1.00 0.00 H new ATOM 0 HA LYS A 17 3.780 1.732 24.581 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.360 2.336 26.573 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.037 0.697 26.044 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.341 0.772 26.508 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.214 0.761 24.760 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.774 3.119 24.629 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.670 3.298 26.370 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.612 1.754 26.652 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.711 1.552 24.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.259 3.226 25.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.088 3.936 24.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.993 4.132 26.369 1.00 0.00 H new ATOM 287 N PRO A 18 3.725 4.305 25.119 1.00 0.00 N ATOM 288 CA PRO A 18 3.626 5.736 25.204 1.00 0.00 C ATOM 289 C PRO A 18 4.542 6.354 26.215 1.00 0.00 C ATOM 290 O PRO A 18 5.278 5.661 26.919 1.00 0.00 O ATOM 291 CB PRO A 18 2.214 5.957 25.725 1.00 0.00 C ATOM 292 CG PRO A 18 1.401 4.844 25.099 1.00 0.00 C ATOM 293 CD PRO A 18 2.415 3.722 24.941 1.00 0.00 C ATOM 0 HA PRO A 18 3.875 6.177 24.239 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.180 5.909 26.813 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.833 6.937 25.437 1.00 0.00 H new ATOM 0 HG2 PRO A 18 0.567 4.547 25.735 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.979 5.144 24.140 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.239 2.938 25.677 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.329 3.261 23.957 1.00 0.00 H new ATOM 301 N GLN A 19 4.429 7.697 26.303 1.00 0.00 N ATOM 302 CA GLN A 19 4.991 8.513 27.337 1.00 0.00 C ATOM 303 C GLN A 19 4.213 8.211 28.580 1.00 0.00 C ATOM 304 O GLN A 19 4.662 7.468 29.453 1.00 0.00 O ATOM 305 CB GLN A 19 4.843 10.009 26.990 1.00 0.00 C ATOM 306 CG GLN A 19 5.676 10.438 25.775 1.00 0.00 C ATOM 307 CD GLN A 19 5.270 11.865 25.404 1.00 0.00 C ATOM 308 OE1 GLN A 19 4.703 12.104 24.330 1.00 0.00 O ATOM 309 NE2 GLN A 19 5.572 12.827 26.326 1.00 0.00 N ATOM 0 H GLN A 19 3.915 8.242 25.611 1.00 0.00 H new ATOM 0 HA GLN A 19 6.054 8.304 27.460 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.793 10.227 26.797 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.139 10.606 27.853 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.740 10.393 26.007 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.504 9.763 24.937 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.041 12.571 27.195 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.329 13.801 26.145 1.00 0.00 H new ATOM 318 N GLY A 20 2.997 8.775 28.646 1.00 0.00 N ATOM 319 CA GLY A 20 1.961 8.310 29.517 1.00 0.00 C ATOM 320 C GLY A 20 0.836 8.152 28.574 1.00 0.00 C ATOM 321 O GLY A 20 1.012 8.339 27.376 1.00 0.00 O ATOM 0 H GLY A 20 2.724 9.577 28.079 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.224 7.371 30.003 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.737 9.026 30.307 1.00 0.00 H new ATOM 325 N ARG A 21 -0.353 7.817 29.097 1.00 0.00 N ATOM 326 CA ARG A 21 -1.521 7.690 28.268 1.00 0.00 C ATOM 327 C ARG A 21 -2.436 8.796 28.659 1.00 0.00 C ATOM 328 O ARG A 21 -3.438 8.588 29.342 1.00 0.00 O ATOM 329 CB ARG A 21 -2.214 6.317 28.360 1.00 0.00 C ATOM 330 CG ARG A 21 -1.334 5.230 27.726 1.00 0.00 C ATOM 331 CD ARG A 21 -2.022 3.880 27.510 1.00 0.00 C ATOM 332 NE ARG A 21 -2.237 3.242 28.837 1.00 0.00 N ATOM 333 CZ ARG A 21 -3.042 2.148 28.972 1.00 0.00 C ATOM 334 NH1 ARG A 21 -3.678 1.619 27.888 1.00 0.00 N ATOM 335 NH2 ARG A 21 -3.210 1.576 30.200 1.00 0.00 N ATOM 0 H ARG A 21 -0.512 7.634 30.088 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.227 7.759 27.221 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.411 6.071 29.403 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.178 6.355 27.853 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.972 5.593 26.764 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.460 5.077 28.359 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.974 4.018 26.997 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.409 3.239 26.877 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.775 3.629 29.660 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.554 2.041 26.968 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.278 0.801 27.997 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.735 1.966 31.014 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.811 0.758 30.304 1.00 0.00 H new ATOM 349 N ASP A 22 -2.066 10.017 28.220 1.00 0.00 N ATOM 350 CA ASP A 22 -2.740 11.219 28.600 1.00 0.00 C ATOM 351 C ASP A 22 -2.866 12.062 27.372 1.00 0.00 C ATOM 352 O ASP A 22 -2.407 11.680 26.295 1.00 0.00 O ATOM 353 CB ASP A 22 -2.025 11.999 29.729 1.00 0.00 C ATOM 354 CG ASP A 22 -0.652 12.515 29.300 1.00 0.00 C ATOM 355 OD1 ASP A 22 0.247 11.690 28.987 1.00 0.00 O ATOM 356 OD2 ASP A 22 -0.481 13.763 29.310 1.00 0.00 O ATOM 0 H ASP A 22 -1.281 10.169 27.587 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.715 10.958 29.011 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.647 12.840 30.036 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.912 11.352 30.599 1.00 0.00 H new ATOM 361 N ASP A 23 -3.519 13.237 27.524 1.00 0.00 N ATOM 362 CA ASP A 23 -3.950 14.069 26.429 1.00 0.00 C ATOM 363 C ASP A 23 -2.794 14.746 25.762 1.00 0.00 C ATOM 364 O ASP A 23 -2.875 15.081 24.582 1.00 0.00 O ATOM 365 CB ASP A 23 -4.904 15.207 26.855 1.00 0.00 C ATOM 366 CG ASP A 23 -6.240 14.680 27.379 1.00 0.00 C ATOM 367 OD1 ASP A 23 -6.431 13.440 27.458 1.00 0.00 O ATOM 368 OD2 ASP A 23 -7.102 15.540 27.707 1.00 0.00 O ATOM 0 H ASP A 23 -3.755 13.621 28.439 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.464 13.377 25.762 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.425 15.809 27.628 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.084 15.864 26.004 1.00 0.00 H new ATOM 373 N ARG A 24 -1.690 14.955 26.512 1.00 0.00 N ATOM 374 CA ARG A 24 -0.504 15.585 26.010 1.00 0.00 C ATOM 375 C ARG A 24 0.322 14.581 25.260 1.00 0.00 C ATOM 376 O ARG A 24 1.114 14.968 24.400 1.00 0.00 O ATOM 377 CB ARG A 24 0.351 16.197 27.144 1.00 0.00 C ATOM 378 CG ARG A 24 1.475 17.158 26.713 1.00 0.00 C ATOM 379 CD ARG A 24 1.005 18.414 25.964 1.00 0.00 C ATOM 380 NE ARG A 24 0.069 19.164 26.850 1.00 0.00 N ATOM 381 CZ ARG A 24 -0.361 20.417 26.518 1.00 0.00 C ATOM 382 NH1 ARG A 24 0.073 21.016 25.371 1.00 0.00 N ATOM 383 NH2 ARG A 24 -1.233 21.074 27.338 1.00 0.00 N ATOM 0 H ARG A 24 -1.622 14.678 27.491 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.817 16.393 25.348 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.314 16.732 27.822 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.798 15.382 27.713 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.027 17.468 27.600 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.173 16.614 26.077 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.858 19.038 25.697 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.508 18.138 25.034 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.255 18.735 27.717 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.723 20.528 24.755 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.253 21.952 25.130 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.561 20.629 28.195 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.556 22.010 27.093 1.00 0.00 H new ATOM 397 N TYR A 25 0.145 13.269 25.557 1.00 0.00 N ATOM 398 CA TYR A 25 0.839 12.232 24.843 1.00 0.00 C ATOM 399 C TYR A 25 0.214 12.122 23.501 1.00 0.00 C ATOM 400 O TYR A 25 0.947 12.033 22.520 1.00 0.00 O ATOM 401 CB TYR A 25 0.826 10.843 25.527 1.00 0.00 C ATOM 402 CG TYR A 25 0.894 9.702 24.541 1.00 0.00 C ATOM 403 CD1 TYR A 25 2.046 9.376 23.833 1.00 0.00 C ATOM 404 CD2 TYR A 25 -0.242 8.931 24.342 1.00 0.00 C ATOM 405 CE1 TYR A 25 2.030 8.360 22.897 1.00 0.00 C ATOM 406 CE2 TYR A 25 -0.256 7.919 23.407 1.00 0.00 C ATOM 407 CZ TYR A 25 0.875 7.638 22.677 1.00 0.00 C ATOM 408 OH TYR A 25 0.845 6.608 21.714 1.00 0.00 O ATOM 0 H TYR A 25 -0.478 12.931 26.290 1.00 0.00 H new ATOM 0 HA TYR A 25 1.890 12.520 24.803 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.670 10.774 26.214 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.080 10.746 26.125 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.960 9.921 24.016 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.128 9.127 24.928 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.924 8.130 22.336 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.157 7.345 23.247 1.00 0.00 H new ATOM 0 HH TYR A 25 1.731 6.195 21.649 1.00 0.00 H new ATOM 418 N CYS A 26 -1.139 12.108 23.424 1.00 0.00 N ATOM 419 CA CYS A 26 -1.740 11.852 22.150 1.00 0.00 C ATOM 420 C CYS A 26 -1.736 13.055 21.254 1.00 0.00 C ATOM 421 O CYS A 26 -1.754 12.919 20.032 1.00 0.00 O ATOM 422 CB CYS A 26 -3.108 11.186 22.151 1.00 0.00 C ATOM 423 SG CYS A 26 -3.190 10.252 20.596 1.00 0.00 S ATOM 0 H CYS A 26 -1.782 12.265 24.200 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.074 11.093 21.740 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.224 10.527 23.012 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.906 11.927 22.207 1.00 0.00 H new ATOM 428 N GLU A 27 -1.668 14.264 21.852 1.00 0.00 N ATOM 429 CA GLU A 27 -1.502 15.479 21.107 1.00 0.00 C ATOM 430 C GLU A 27 -0.126 15.520 20.506 1.00 0.00 C ATOM 431 O GLU A 27 0.026 15.934 19.357 1.00 0.00 O ATOM 432 CB GLU A 27 -1.731 16.736 21.968 1.00 0.00 C ATOM 433 CG GLU A 27 -1.800 18.040 21.169 1.00 0.00 C ATOM 434 CD GLU A 27 -2.208 19.148 22.129 1.00 0.00 C ATOM 435 OE1 GLU A 27 -1.474 19.360 23.130 1.00 0.00 O ATOM 436 OE2 GLU A 27 -3.259 19.795 21.876 1.00 0.00 O ATOM 0 H GLU A 27 -1.729 14.399 22.861 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.257 15.483 20.321 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.659 16.616 22.527 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.926 16.813 22.699 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.834 18.263 20.716 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.521 17.953 20.356 1.00 0.00 H new ATOM 443 N SER A 28 0.897 15.076 21.276 1.00 0.00 N ATOM 444 CA SER A 28 2.268 15.074 20.841 1.00 0.00 C ATOM 445 C SER A 28 2.533 14.096 19.742 1.00 0.00 C ATOM 446 O SER A 28 3.262 14.422 18.809 1.00 0.00 O ATOM 447 CB SER A 28 3.264 14.772 21.973 1.00 0.00 C ATOM 448 OG SER A 28 4.599 14.822 21.493 1.00 0.00 O ATOM 0 H SER A 28 0.767 14.711 22.220 1.00 0.00 H new ATOM 0 HA SER A 28 2.421 16.090 20.478 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.135 15.494 22.780 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.059 13.786 22.391 1.00 0.00 H new ATOM 0 HG SER A 28 5.218 14.629 22.228 1.00 0.00 H new ATOM 454 N ILE A 29 1.956 12.880 19.828 1.00 0.00 N ATOM 455 CA ILE A 29 2.250 11.831 18.884 1.00 0.00 C ATOM 456 C ILE A 29 1.516 12.048 17.605 1.00 0.00 C ATOM 457 O ILE A 29 2.027 11.701 16.547 1.00 0.00 O ATOM 458 CB ILE A 29 2.073 10.402 19.386 1.00 0.00 C ATOM 459 CG1 ILE A 29 2.614 9.375 18.376 1.00 0.00 C ATOM 460 CG2 ILE A 29 0.609 10.086 19.721 1.00 0.00 C ATOM 461 CD1 ILE A 29 2.897 8.022 19.004 1.00 0.00 C ATOM 0 H ILE A 29 1.285 12.619 20.550 1.00 0.00 H new ATOM 0 HA ILE A 29 3.324 11.915 18.717 1.00 0.00 H new ATOM 0 HB ILE A 29 2.655 10.326 20.304 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.892 9.251 17.569 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.530 9.761 17.928 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.530 9.058 20.074 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.259 10.765 20.499 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.004 10.210 18.828 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.276 7.340 18.243 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.641 8.135 19.793 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.978 7.618 19.428 1.00 0.00 H new ATOM 473 N MET A 30 0.310 12.644 17.658 1.00 0.00 N ATOM 474 CA MET A 30 -0.448 12.859 16.461 1.00 0.00 C ATOM 475 C MET A 30 0.060 14.035 15.707 1.00 0.00 C ATOM 476 O MET A 30 -0.071 14.091 14.488 1.00 0.00 O ATOM 477 CB MET A 30 -1.938 13.052 16.729 1.00 0.00 C ATOM 478 CG MET A 30 -2.578 11.670 16.914 1.00 0.00 C ATOM 479 SD MET A 30 -4.334 11.608 17.343 1.00 0.00 S ATOM 480 CE MET A 30 -4.971 11.500 15.650 1.00 0.00 C ATOM 0 H MET A 30 -0.136 12.973 18.515 1.00 0.00 H new ATOM 0 HA MET A 30 -0.323 11.954 15.867 1.00 0.00 H new ATOM 0 HB2 MET A 30 -2.088 13.662 17.620 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.408 13.580 15.899 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.438 11.109 15.990 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.024 11.145 17.692 1.00 0.00 H new ATOM 0 HE1 MET A 30 -6.060 11.540 15.668 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.587 12.334 15.063 1.00 0.00 H new ATOM 0 HE3 MET A 30 -4.650 10.561 15.200 1.00 0.00 H new ATOM 490 N ARG A 31 0.663 14.994 16.424 1.00 0.00 N ATOM 491 CA ARG A 31 1.399 16.067 15.814 1.00 0.00 C ATOM 492 C ARG A 31 2.659 15.594 15.127 1.00 0.00 C ATOM 493 O ARG A 31 2.976 16.083 14.043 1.00 0.00 O ATOM 494 CB ARG A 31 1.738 17.192 16.810 1.00 0.00 C ATOM 495 CG ARG A 31 2.206 18.492 16.144 1.00 0.00 C ATOM 496 CD ARG A 31 2.213 19.671 17.118 1.00 0.00 C ATOM 497 NE ARG A 31 2.622 20.885 16.357 1.00 0.00 N ATOM 498 CZ ARG A 31 2.555 22.123 16.928 1.00 0.00 C ATOM 499 NH1 ARG A 31 2.125 22.265 18.215 1.00 0.00 N ATOM 500 NH2 ARG A 31 2.921 23.223 16.208 1.00 0.00 N ATOM 0 H ARG A 31 0.643 15.031 17.443 1.00 0.00 H new ATOM 0 HA ARG A 31 0.731 16.473 15.054 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.858 17.403 17.418 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.517 16.842 17.487 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.209 18.351 15.740 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.553 18.722 15.302 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.225 19.810 17.557 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.904 19.484 17.940 1.00 0.00 H new ATOM 0 HE ARG A 31 2.956 20.790 15.398 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.852 21.444 18.755 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.077 23.192 18.637 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.243 23.119 15.246 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.872 24.149 16.632 1.00 0.00 H new ATOM 514 N ARG A 32 3.411 14.649 15.745 1.00 0.00 N ATOM 515 CA ARG A 32 4.683 14.200 15.231 1.00 0.00 C ATOM 516 C ARG A 32 4.529 13.277 14.059 1.00 0.00 C ATOM 517 O ARG A 32 5.227 13.450 13.061 1.00 0.00 O ATOM 518 CB ARG A 32 5.545 13.454 16.266 1.00 0.00 C ATOM 519 CG ARG A 32 6.190 14.365 17.322 1.00 0.00 C ATOM 520 CD ARG A 32 7.292 15.272 16.767 1.00 0.00 C ATOM 521 NE ARG A 32 7.838 16.066 17.903 1.00 0.00 N ATOM 522 CZ ARG A 32 8.787 17.024 17.689 1.00 0.00 C ATOM 523 NH1 ARG A 32 9.253 17.263 16.429 1.00 0.00 N ATOM 524 NH2 ARG A 32 9.271 17.748 18.741 1.00 0.00 N ATOM 0 H ARG A 32 3.132 14.191 16.613 1.00 0.00 H new ATOM 0 HA ARG A 32 5.181 15.126 14.941 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.926 12.713 16.771 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.331 12.910 15.743 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.416 14.985 17.775 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.608 13.746 18.116 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.079 14.678 16.302 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.893 15.931 15.996 1.00 0.00 H new ATOM 0 HE ARG A 32 7.500 15.892 18.849 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.892 16.725 15.641 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.962 17.980 16.275 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.924 17.572 19.684 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.980 18.464 18.584 1.00 0.00 H new ATOM 538 N ARG A 33 3.623 12.273 14.158 1.00 0.00 N ATOM 539 CA ARG A 33 3.332 11.359 13.079 1.00 0.00 C ATOM 540 C ARG A 33 2.631 12.053 11.949 1.00 0.00 C ATOM 541 O ARG A 33 2.830 11.708 10.785 1.00 0.00 O ATOM 542 CB ARG A 33 2.439 10.190 13.545 1.00 0.00 C ATOM 543 CG ARG A 33 3.034 8.780 13.394 1.00 0.00 C ATOM 544 CD ARG A 33 4.469 8.584 13.911 1.00 0.00 C ATOM 545 NE ARG A 33 4.617 9.159 15.281 1.00 0.00 N ATOM 546 CZ ARG A 33 5.860 9.311 15.826 1.00 0.00 C ATOM 547 NH1 ARG A 33 6.964 8.863 15.158 1.00 0.00 N ATOM 548 NH2 ARG A 33 6.008 9.915 17.041 1.00 0.00 N ATOM 0 H ARG A 33 3.082 12.092 15.004 1.00 0.00 H new ATOM 0 HA ARG A 33 4.294 10.974 12.742 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.190 10.346 14.595 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.504 10.229 12.986 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.384 8.077 13.916 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.012 8.511 12.338 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.713 7.522 13.928 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.175 9.062 13.232 1.00 0.00 H new ATOM 0 HE ARG A 33 3.790 9.438 15.809 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.862 8.413 14.248 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.890 8.979 15.569 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.189 10.255 17.545 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.938 10.027 17.445 1.00 0.00 H new ATOM 562 N GLY A 34 1.811 13.065 12.285 1.00 0.00 N ATOM 563 CA GLY A 34 1.185 13.932 11.329 1.00 0.00 C ATOM 564 C GLY A 34 -0.072 13.310 10.863 1.00 0.00 C ATOM 565 O GLY A 34 -0.263 13.043 9.678 1.00 0.00 O ATOM 0 H GLY A 34 1.575 13.289 13.252 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.980 14.903 11.780 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.853 14.107 10.486 1.00 0.00 H new ATOM 569 N LEU A 35 -0.983 13.134 11.836 1.00 0.00 N ATOM 570 CA LEU A 35 -2.364 12.878 11.591 1.00 0.00 C ATOM 571 C LEU A 35 -3.040 14.108 12.095 1.00 0.00 C ATOM 572 O LEU A 35 -4.232 14.101 12.396 1.00 0.00 O ATOM 573 CB LEU A 35 -2.926 11.716 12.419 1.00 0.00 C ATOM 574 CG LEU A 35 -2.160 10.378 12.301 1.00 0.00 C ATOM 575 CD1 LEU A 35 -2.820 9.289 13.165 1.00 0.00 C ATOM 576 CD2 LEU A 35 -2.031 9.895 10.844 1.00 0.00 C ATOM 0 H LEU A 35 -0.748 13.172 12.828 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.513 12.631 10.540 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.940 12.014 13.467 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.961 11.549 12.121 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.152 10.565 12.671 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.263 8.358 13.065 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.819 9.602 14.209 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.847 9.135 12.834 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.485 8.952 10.820 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.024 9.750 10.420 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.492 10.641 10.260 1.00 0.00 H new ATOM 588 N THR A 36 -2.251 15.204 12.202 1.00 0.00 N ATOM 589 CA THR A 36 -2.726 16.471 12.685 1.00 0.00 C ATOM 590 C THR A 36 -3.070 17.292 11.489 1.00 0.00 C ATOM 591 O THR A 36 -3.649 18.369 11.603 1.00 0.00 O ATOM 592 CB THR A 36 -1.716 17.184 13.563 1.00 0.00 C ATOM 593 OG1 THR A 36 -2.260 18.356 14.150 1.00 0.00 O ATOM 594 CG2 THR A 36 -0.429 17.553 12.797 1.00 0.00 C ATOM 0 H THR A 36 -1.263 15.207 11.947 1.00 0.00 H new ATOM 0 HA THR A 36 -3.597 16.313 13.321 1.00 0.00 H new ATOM 0 HB THR A 36 -1.460 16.476 14.351 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.239 18.313 14.119 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.262 18.061 13.470 1.00 0.00 H new ATOM 0 HG22 THR A 36 0.039 16.646 12.414 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.677 18.213 11.965 1.00 0.00 H new ATOM 602 N SER A 37 -2.722 16.780 10.296 1.00 0.00 N ATOM 603 CA SER A 37 -2.904 17.493 9.071 1.00 0.00 C ATOM 604 C SER A 37 -3.712 16.635 8.138 1.00 0.00 C ATOM 605 O SER A 37 -3.136 15.758 7.497 1.00 0.00 O ATOM 606 CB SER A 37 -1.540 17.766 8.429 1.00 0.00 C ATOM 607 OG SER A 37 -0.645 16.692 8.693 1.00 0.00 O ATOM 0 H SER A 37 -2.307 15.855 10.180 1.00 0.00 H new ATOM 0 HA SER A 37 -3.413 18.437 9.264 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.656 17.895 7.353 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.127 18.696 8.819 1.00 0.00 H new ATOM 0 HG SER A 37 -1.063 15.846 8.431 1.00 0.00 H new ATOM 613 N PRO A 38 -5.016 16.819 7.967 1.00 0.00 N ATOM 614 CA PRO A 38 -5.950 17.471 8.857 1.00 0.00 C ATOM 615 C PRO A 38 -6.218 16.526 9.999 1.00 0.00 C ATOM 616 O PRO A 38 -5.839 15.356 9.906 1.00 0.00 O ATOM 617 CB PRO A 38 -7.211 17.632 8.004 1.00 0.00 C ATOM 618 CG PRO A 38 -7.165 16.465 7.016 1.00 0.00 C ATOM 619 CD PRO A 38 -5.665 16.247 6.803 1.00 0.00 C ATOM 0 HA PRO A 38 -5.603 18.422 9.262 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.111 17.596 8.618 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.218 18.590 7.485 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.648 15.575 7.421 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.673 16.707 6.083 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.433 15.186 6.707 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.325 16.731 5.888 1.00 0.00 H new ATOM 627 N CYS A 39 -6.857 17.035 11.085 1.00 0.00 N ATOM 628 CA CYS A 39 -7.140 16.294 12.276 1.00 0.00 C ATOM 629 C CYS A 39 -7.956 15.073 11.977 1.00 0.00 C ATOM 630 O CYS A 39 -9.054 15.165 11.425 1.00 0.00 O ATOM 631 CB CYS A 39 -7.994 17.095 13.277 1.00 0.00 C ATOM 632 SG CYS A 39 -7.390 18.770 13.642 1.00 0.00 S ATOM 0 H CYS A 39 -7.185 18.000 11.126 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.162 16.052 12.691 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -9.009 17.169 12.887 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -8.052 16.535 14.211 1.00 0.00 H new ATOM 637 N LYS A 40 -7.408 13.897 12.351 1.00 0.00 N ATOM 638 CA LYS A 40 -8.098 12.646 12.248 1.00 0.00 C ATOM 639 C LYS A 40 -9.042 12.629 13.404 1.00 0.00 C ATOM 640 O LYS A 40 -8.676 13.030 14.507 1.00 0.00 O ATOM 641 CB LYS A 40 -7.134 11.438 12.320 1.00 0.00 C ATOM 642 CG LYS A 40 -7.784 10.043 12.255 1.00 0.00 C ATOM 643 CD LYS A 40 -8.560 9.749 10.963 1.00 0.00 C ATOM 644 CE LYS A 40 -9.345 8.435 11.029 1.00 0.00 C ATOM 645 NZ LYS A 40 -8.445 7.292 11.297 1.00 0.00 N ATOM 0 H LYS A 40 -6.466 13.816 12.733 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.606 12.559 11.288 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.419 11.521 11.501 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.566 11.508 13.248 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.005 9.290 12.373 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.462 9.935 13.101 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.249 10.569 10.764 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.862 9.709 10.126 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.101 8.498 11.811 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.872 8.275 10.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.984 6.404 11.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.679 7.281 10.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.039 7.386 12.250 1.00 0.00 H new ATOM 659 N ASP A 41 -10.290 12.184 13.143 1.00 0.00 N ATOM 660 CA ASP A 41 -11.373 12.296 14.078 1.00 0.00 C ATOM 661 C ASP A 41 -11.251 11.318 15.206 1.00 0.00 C ATOM 662 O ASP A 41 -11.554 11.674 16.344 1.00 0.00 O ATOM 663 CB ASP A 41 -12.782 12.188 13.444 1.00 0.00 C ATOM 664 CG ASP A 41 -13.005 10.849 12.743 1.00 0.00 C ATOM 665 OD1 ASP A 41 -12.321 10.581 11.720 1.00 0.00 O ATOM 666 OD2 ASP A 41 -13.888 10.084 13.217 1.00 0.00 O ATOM 0 H ASP A 41 -10.551 11.737 12.264 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.280 13.310 14.468 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -13.537 12.319 14.219 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.918 12.997 12.727 1.00 0.00 H new ATOM 671 N ILE A 42 -10.816 10.068 14.938 1.00 0.00 N ATOM 672 CA ILE A 42 -10.617 9.131 16.006 1.00 0.00 C ATOM 673 C ILE A 42 -9.579 8.160 15.526 1.00 0.00 C ATOM 674 O ILE A 42 -9.707 7.574 14.452 1.00 0.00 O ATOM 675 CB ILE A 42 -11.906 8.482 16.510 1.00 0.00 C ATOM 676 CG1 ILE A 42 -11.681 7.745 17.845 1.00 0.00 C ATOM 677 CG2 ILE A 42 -12.579 7.600 15.438 1.00 0.00 C ATOM 678 CD1 ILE A 42 -12.984 7.534 18.622 1.00 0.00 C ATOM 0 H ILE A 42 -10.607 9.713 14.005 1.00 0.00 H new ATOM 0 HA ILE A 42 -10.263 9.641 16.902 1.00 0.00 H new ATOM 0 HB ILE A 42 -12.615 9.284 16.713 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -11.217 6.778 17.650 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.983 8.315 18.459 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -13.490 7.162 15.846 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -12.827 8.209 14.569 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.896 6.804 15.140 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -12.771 7.011 19.554 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -13.436 8.501 18.844 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -13.673 6.940 18.022 1.00 0.00 H new ATOM 690 N ASN A 43 -8.490 8.008 16.314 1.00 0.00 N ATOM 691 CA ASN A 43 -7.400 7.151 15.901 1.00 0.00 C ATOM 692 C ASN A 43 -6.821 6.458 17.089 1.00 0.00 C ATOM 693 O ASN A 43 -6.552 7.075 18.117 1.00 0.00 O ATOM 694 CB ASN A 43 -6.247 7.893 15.197 1.00 0.00 C ATOM 695 CG ASN A 43 -5.362 6.885 14.456 1.00 0.00 C ATOM 696 OD1 ASN A 43 -5.779 6.318 13.439 1.00 0.00 O ATOM 697 ND2 ASN A 43 -4.115 6.681 14.978 1.00 0.00 N ATOM 0 H ASN A 43 -8.361 8.465 17.217 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.838 6.454 15.186 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -6.647 8.625 14.496 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.655 8.443 15.929 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.472 6.031 14.525 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.827 7.179 15.821 1.00 0.00 H new ATOM 704 N THR A 44 -6.597 5.137 16.936 1.00 0.00 N ATOM 705 CA THR A 44 -6.129 4.278 17.983 1.00 0.00 C ATOM 706 C THR A 44 -4.664 4.013 17.823 1.00 0.00 C ATOM 707 O THR A 44 -4.253 3.354 16.871 1.00 0.00 O ATOM 708 CB THR A 44 -6.883 2.978 17.936 1.00 0.00 C ATOM 709 OG1 THR A 44 -8.238 3.252 18.242 1.00 0.00 O ATOM 710 CG2 THR A 44 -6.333 1.966 18.952 1.00 0.00 C ATOM 0 H THR A 44 -6.747 4.651 16.052 1.00 0.00 H new ATOM 0 HA THR A 44 -6.295 4.767 18.943 1.00 0.00 H new ATOM 0 HB THR A 44 -6.777 2.542 16.943 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.731 2.409 18.329 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.903 1.039 18.888 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.285 1.763 18.732 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.420 2.377 19.958 1.00 0.00 H new ATOM 718 N PHE A 45 -3.845 4.486 18.789 1.00 0.00 N ATOM 719 CA PHE A 45 -2.455 4.115 18.841 1.00 0.00 C ATOM 720 C PHE A 45 -2.355 2.893 19.694 1.00 0.00 C ATOM 721 O PHE A 45 -2.720 2.922 20.863 1.00 0.00 O ATOM 722 CB PHE A 45 -1.492 5.167 19.434 1.00 0.00 C ATOM 723 CG PHE A 45 -1.362 6.303 18.474 1.00 0.00 C ATOM 724 CD1 PHE A 45 -2.363 7.252 18.432 1.00 0.00 C ATOM 725 CD2 PHE A 45 -0.279 6.426 17.612 1.00 0.00 C ATOM 726 CE1 PHE A 45 -2.330 8.254 17.487 1.00 0.00 C ATOM 727 CE2 PHE A 45 -0.228 7.455 16.697 1.00 0.00 C ATOM 728 CZ PHE A 45 -1.263 8.359 16.618 1.00 0.00 C ATOM 0 H PHE A 45 -4.142 5.121 19.530 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.145 3.979 17.805 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.869 5.525 20.392 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.516 4.720 19.623 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.175 7.209 19.143 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.528 5.710 17.660 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.144 8.961 17.426 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.625 7.552 16.041 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.240 9.147 15.879 1.00 0.00 H new ATOM 738 N ILE A 46 -1.849 1.788 19.108 1.00 0.00 N ATOM 739 CA ILE A 46 -1.726 0.519 19.771 1.00 0.00 C ATOM 740 C ILE A 46 -0.359 0.477 20.358 1.00 0.00 C ATOM 741 O ILE A 46 0.565 1.091 19.847 1.00 0.00 O ATOM 742 CB ILE A 46 -1.831 -0.651 18.815 1.00 0.00 C ATOM 743 CG1 ILE A 46 -3.069 -0.503 17.908 1.00 0.00 C ATOM 744 CG2 ILE A 46 -1.819 -1.991 19.584 1.00 0.00 C ATOM 745 CD1 ILE A 46 -3.128 -1.612 16.863 1.00 0.00 C ATOM 0 H ILE A 46 -1.515 1.776 18.144 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.528 0.433 20.504 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.957 -0.652 18.164 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.973 -0.526 18.517 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.044 0.467 17.411 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.895 -2.817 18.877 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.889 -2.080 20.146 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.664 -2.023 20.272 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.012 -1.478 16.240 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.235 -1.572 16.239 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.179 -2.580 17.362 1.00 0.00 H new ATOM 757 N HIS A 47 -0.226 -0.266 21.468 1.00 0.00 N ATOM 758 CA HIS A 47 0.997 -0.415 22.216 1.00 0.00 C ATOM 759 C HIS A 47 1.070 -1.832 22.682 1.00 0.00 C ATOM 760 O HIS A 47 0.072 -2.392 23.135 1.00 0.00 O ATOM 761 CB HIS A 47 1.081 0.419 23.498 1.00 0.00 C ATOM 762 CG HIS A 47 0.215 1.629 23.482 1.00 0.00 C ATOM 763 ND1 HIS A 47 0.389 2.662 22.593 1.00 0.00 N ATOM 764 CD2 HIS A 47 -0.823 1.993 24.279 1.00 0.00 C ATOM 765 CE1 HIS A 47 -0.533 3.595 22.887 1.00 0.00 C ATOM 766 NE2 HIS A 47 -1.293 3.237 23.903 1.00 0.00 N ATOM 0 H HIS A 47 -1.003 -0.791 21.869 1.00 0.00 H new ATOM 0 HA HIS A 47 1.792 -0.094 21.543 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.802 -0.206 24.346 1.00 0.00 H new ATOM 0 HB3 HIS A 47 2.115 0.725 23.655 1.00 0.00 H new ATOM 0 HD1 HIS A 47 1.086 2.712 21.850 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.222 1.398 25.087 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.639 4.528 22.354 1.00 0.00 H new ATOM 774 N GLY A 48 2.271 -2.437 22.628 1.00 0.00 N ATOM 775 CA GLY A 48 2.417 -3.754 23.174 1.00 0.00 C ATOM 776 C GLY A 48 3.654 -4.344 22.600 1.00 0.00 C ATOM 777 O GLY A 48 4.691 -3.687 22.538 1.00 0.00 O ATOM 0 H GLY A 48 3.115 -2.033 22.222 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.481 -3.713 24.261 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.550 -4.368 22.929 1.00 0.00 H new ATOM 781 N ASN A 49 3.551 -5.619 22.174 1.00 0.00 N ATOM 782 CA ASN A 49 4.613 -6.299 21.489 1.00 0.00 C ATOM 783 C ASN A 49 4.285 -6.233 20.041 1.00 0.00 C ATOM 784 O ASN A 49 3.133 -6.399 19.649 1.00 0.00 O ATOM 785 CB ASN A 49 4.709 -7.791 21.836 1.00 0.00 C ATOM 786 CG ASN A 49 5.917 -8.027 22.738 1.00 0.00 C ATOM 787 OD1 ASN A 49 6.855 -8.880 22.222 1.00 0.00 O flip ATOM 788 ND2 ASN A 49 6.019 -7.481 23.842 1.00 0.00 N flip ATOM 0 H ASN A 49 2.715 -6.189 22.307 1.00 0.00 H new ATOM 0 HA ASN A 49 5.552 -5.824 21.772 1.00 0.00 H new ATOM 0 HB2 ASN A 49 3.798 -8.118 22.337 1.00 0.00 H new ATOM 0 HB3 ASN A 49 4.801 -8.382 20.925 1.00 0.00 H new ATOM 0 HD21 ASN A 49 5.284 -6.854 24.171 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.838 -7.657 24.424 1.00 0.00 H new ATOM 795 N LYS A 50 5.326 -6.024 19.207 1.00 0.00 N ATOM 796 CA LYS A 50 5.188 -5.903 17.782 1.00 0.00 C ATOM 797 C LYS A 50 5.210 -7.280 17.191 1.00 0.00 C ATOM 798 O LYS A 50 4.747 -7.505 16.071 1.00 0.00 O ATOM 799 CB LYS A 50 6.376 -5.119 17.190 1.00 0.00 C ATOM 800 CG LYS A 50 6.157 -4.520 15.795 1.00 0.00 C ATOM 801 CD LYS A 50 7.373 -3.690 15.357 1.00 0.00 C ATOM 802 CE LYS A 50 7.152 -2.913 14.058 1.00 0.00 C ATOM 803 NZ LYS A 50 8.359 -2.134 13.709 1.00 0.00 N ATOM 0 H LYS A 50 6.289 -5.937 19.532 1.00 0.00 H new ATOM 0 HA LYS A 50 4.258 -5.381 17.557 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.630 -4.310 17.875 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.239 -5.783 17.147 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.979 -5.319 15.076 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.266 -3.892 15.800 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.628 -2.988 16.151 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.229 -4.354 15.232 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.912 -3.604 13.250 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.299 -2.243 14.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.192 -1.613 12.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.571 -1.461 14.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.165 -2.780 13.583 1.00 0.00 H new ATOM 817 N ARG A 51 5.751 -8.228 17.990 1.00 0.00 N ATOM 818 CA ARG A 51 5.749 -9.643 17.758 1.00 0.00 C ATOM 819 C ARG A 51 4.334 -10.113 17.776 1.00 0.00 C ATOM 820 O ARG A 51 3.928 -10.916 16.936 1.00 0.00 O ATOM 821 CB ARG A 51 6.569 -10.354 18.864 1.00 0.00 C ATOM 822 CG ARG A 51 6.838 -11.859 18.691 1.00 0.00 C ATOM 823 CD ARG A 51 5.806 -12.788 19.349 1.00 0.00 C ATOM 824 NE ARG A 51 6.286 -14.197 19.218 1.00 0.00 N ATOM 825 CZ ARG A 51 5.973 -14.974 18.137 1.00 0.00 C ATOM 826 NH1 ARG A 51 5.219 -14.483 17.113 1.00 0.00 N ATOM 827 NH2 ARG A 51 6.427 -16.262 18.084 1.00 0.00 N ATOM 0 H ARG A 51 6.223 -7.983 18.860 1.00 0.00 H new ATOM 0 HA ARG A 51 6.203 -9.874 16.794 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.531 -9.848 18.948 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.050 -10.212 19.812 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.879 -12.084 17.625 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.822 -12.086 19.102 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.677 -12.528 20.400 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.833 -12.673 18.871 1.00 0.00 H new ATOM 0 HE ARG A 51 6.866 -14.592 19.959 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.879 -13.522 17.145 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.995 -15.077 16.314 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.993 -16.635 18.846 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.199 -16.850 17.282 1.00 0.00 H new ATOM 841 N SER A 52 3.567 -9.603 18.758 1.00 0.00 N ATOM 842 CA SER A 52 2.190 -9.902 18.942 1.00 0.00 C ATOM 843 C SER A 52 1.338 -9.278 17.889 1.00 0.00 C ATOM 844 O SER A 52 0.383 -9.936 17.496 1.00 0.00 O ATOM 845 CB SER A 52 1.678 -9.516 20.328 1.00 0.00 C ATOM 846 OG SER A 52 2.323 -10.300 21.319 1.00 0.00 O ATOM 0 H SER A 52 3.930 -8.952 19.454 1.00 0.00 H new ATOM 0 HA SER A 52 2.113 -10.986 18.853 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.864 -8.458 20.512 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.599 -9.664 20.381 1.00 0.00 H new ATOM 0 HG SER A 52 1.991 -10.045 22.205 1.00 0.00 H new ATOM 852 N ILE A 53 1.645 -8.032 17.423 1.00 0.00 N ATOM 853 CA ILE A 53 0.920 -7.363 16.349 1.00 0.00 C ATOM 854 C ILE A 53 0.893 -8.208 15.114 1.00 0.00 C ATOM 855 O ILE A 53 -0.186 -8.504 14.598 1.00 0.00 O ATOM 856 CB ILE A 53 1.481 -5.995 15.958 1.00 0.00 C ATOM 857 CG1 ILE A 53 1.360 -4.980 17.112 1.00 0.00 C ATOM 858 CG2 ILE A 53 0.785 -5.430 14.700 1.00 0.00 C ATOM 859 CD1 ILE A 53 -0.080 -4.593 17.433 1.00 0.00 C ATOM 0 H ILE A 53 2.413 -7.476 17.799 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.080 -7.211 16.756 1.00 0.00 H new ATOM 0 HB ILE A 53 2.537 -6.148 15.734 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.823 -5.400 18.005 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.921 -4.081 16.855 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.211 -4.457 14.454 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.934 -6.113 13.864 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.282 -5.320 14.893 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.090 -3.876 18.254 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.541 -4.143 16.553 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.640 -5.483 17.721 1.00 0.00 H new ATOM 871 N LYS A 54 2.089 -8.602 14.633 1.00 0.00 N ATOM 872 CA LYS A 54 2.269 -9.432 13.459 1.00 0.00 C ATOM 873 C LYS A 54 1.559 -10.753 13.605 1.00 0.00 C ATOM 874 O LYS A 54 0.881 -11.215 12.682 1.00 0.00 O ATOM 875 CB LYS A 54 3.752 -9.719 13.165 1.00 0.00 C ATOM 876 CG LYS A 54 4.009 -10.104 11.703 1.00 0.00 C ATOM 877 CD LYS A 54 5.502 -10.231 11.379 1.00 0.00 C ATOM 878 CE LYS A 54 5.763 -10.490 9.893 1.00 0.00 C ATOM 879 NZ LYS A 54 7.216 -10.610 9.641 1.00 0.00 N ATOM 0 H LYS A 54 2.970 -8.337 15.073 1.00 0.00 H new ATOM 0 HA LYS A 54 1.843 -8.865 12.631 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.343 -8.837 13.412 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.096 -10.525 13.813 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.513 -11.050 11.488 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.562 -9.354 11.050 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.014 -9.317 11.680 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.929 -11.044 11.966 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.256 -11.403 9.581 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.349 -9.677 9.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.379 -10.786 8.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.691 -9.728 9.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.600 -11.401 10.196 1.00 0.00 H new ATOM 893 N ALA A 55 1.672 -11.370 14.806 1.00 0.00 N ATOM 894 CA ALA A 55 1.102 -12.655 15.097 1.00 0.00 C ATOM 895 C ALA A 55 -0.366 -12.623 15.437 1.00 0.00 C ATOM 896 O ALA A 55 -0.887 -13.618 15.930 1.00 0.00 O ATOM 897 CB ALA A 55 1.813 -13.352 16.265 1.00 0.00 C ATOM 0 H ALA A 55 2.174 -10.961 15.594 1.00 0.00 H new ATOM 0 HA ALA A 55 1.237 -13.204 14.165 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.347 -14.320 16.449 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.865 -13.496 16.017 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.733 -12.735 17.160 1.00 0.00 H new ATOM 903 N ILE A 56 -1.094 -11.515 15.143 1.00 0.00 N ATOM 904 CA ILE A 56 -2.532 -11.524 15.199 1.00 0.00 C ATOM 905 C ILE A 56 -3.015 -12.193 13.944 1.00 0.00 C ATOM 906 O ILE A 56 -4.103 -12.766 13.932 1.00 0.00 O ATOM 907 CB ILE A 56 -3.168 -10.150 15.395 1.00 0.00 C ATOM 908 CG1 ILE A 56 -2.672 -9.467 16.688 1.00 0.00 C ATOM 909 CG2 ILE A 56 -4.704 -10.255 15.451 1.00 0.00 C ATOM 910 CD1 ILE A 56 -2.665 -10.380 17.917 1.00 0.00 C ATOM 0 H ILE A 56 -0.687 -10.621 14.869 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.843 -12.073 16.088 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.870 -9.546 14.538 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.662 -9.091 16.523 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.304 -8.603 16.895 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.132 -9.262 15.591 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.074 -10.681 14.518 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.995 -10.896 16.283 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.304 -9.823 18.782 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.677 -10.736 18.112 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.010 -11.232 17.734 1.00 0.00 H new ATOM 922 N CYS A 57 -2.190 -12.184 12.869 1.00 0.00 N ATOM 923 CA CYS A 57 -2.569 -12.878 11.669 1.00 0.00 C ATOM 924 C CYS A 57 -2.237 -14.347 11.741 1.00 0.00 C ATOM 925 O CYS A 57 -2.771 -15.141 10.966 1.00 0.00 O ATOM 926 CB CYS A 57 -2.000 -12.270 10.382 1.00 0.00 C ATOM 927 SG CYS A 57 -2.968 -12.837 8.954 1.00 0.00 S ATOM 0 H CYS A 57 -1.287 -11.711 12.831 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.651 -12.758 11.614 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.025 -11.182 10.441 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.956 -12.559 10.263 1.00 0.00 H new ATOM 932 N GLU A 58 -1.371 -14.752 12.702 1.00 0.00 N ATOM 933 CA GLU A 58 -1.198 -16.147 13.016 1.00 0.00 C ATOM 934 C GLU A 58 -2.416 -16.608 13.740 1.00 0.00 C ATOM 935 O GLU A 58 -3.060 -15.838 14.451 1.00 0.00 O ATOM 936 CB GLU A 58 -0.021 -16.460 13.958 1.00 0.00 C ATOM 937 CG GLU A 58 1.357 -16.175 13.355 1.00 0.00 C ATOM 938 CD GLU A 58 1.557 -17.053 12.128 1.00 0.00 C ATOM 939 OE1 GLU A 58 1.543 -18.304 12.283 1.00 0.00 O ATOM 940 OE2 GLU A 58 1.729 -16.483 11.018 1.00 0.00 O ATOM 0 H GLU A 58 -0.796 -14.118 13.257 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.010 -16.641 12.063 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.134 -15.874 14.870 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.069 -17.510 14.245 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.437 -15.123 13.081 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.137 -16.373 14.090 1.00 0.00 H new ATOM 947 N ASN A 59 -2.733 -17.909 13.566 1.00 0.00 N ATOM 948 CA ASN A 59 -3.945 -18.522 14.037 1.00 0.00 C ATOM 949 C ASN A 59 -3.881 -18.795 15.514 1.00 0.00 C ATOM 950 O ASN A 59 -4.913 -18.979 16.160 1.00 0.00 O ATOM 951 CB ASN A 59 -4.203 -19.857 13.304 1.00 0.00 C ATOM 952 CG ASN A 59 -5.604 -20.393 13.607 1.00 0.00 C ATOM 953 OD1 ASN A 59 -5.761 -21.459 14.215 1.00 0.00 O ATOM 954 ND2 ASN A 59 -6.642 -19.626 13.153 1.00 0.00 N ATOM 0 H ASN A 59 -2.120 -18.561 13.077 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.756 -17.823 13.834 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.091 -19.713 12.229 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.456 -20.591 13.607 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.604 -19.925 13.311 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -6.454 -18.755 12.657 1.00 0.00 H new ATOM 961 N LYS A 60 -2.653 -18.832 16.074 1.00 0.00 N ATOM 962 CA LYS A 60 -2.425 -19.204 17.438 1.00 0.00 C ATOM 963 C LYS A 60 -2.775 -18.068 18.342 1.00 0.00 C ATOM 964 O LYS A 60 -3.337 -18.270 19.417 1.00 0.00 O ATOM 965 CB LYS A 60 -0.957 -19.569 17.749 1.00 0.00 C ATOM 966 CG LYS A 60 -0.412 -20.792 16.990 1.00 0.00 C ATOM 967 CD LYS A 60 0.083 -20.506 15.564 1.00 0.00 C ATOM 968 CE LYS A 60 0.718 -21.729 14.899 1.00 0.00 C ATOM 969 NZ LYS A 60 1.152 -21.394 13.526 1.00 0.00 N ATOM 0 H LYS A 60 -1.801 -18.598 15.565 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.049 -20.083 17.601 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.329 -18.709 17.519 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.864 -19.754 18.819 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.410 -21.220 17.564 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.195 -21.549 16.941 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.754 -20.162 14.956 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.811 -19.695 15.593 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.571 -22.069 15.485 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.002 -22.550 14.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.582 -22.231 13.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.330 -21.090 12.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.850 -20.624 13.561 1.00 0.00 H new ATOM 983 N ASN A 61 -2.414 -16.846 17.910 1.00 0.00 N ATOM 984 CA ASN A 61 -2.489 -15.673 18.732 1.00 0.00 C ATOM 985 C ASN A 61 -3.430 -14.699 18.068 1.00 0.00 C ATOM 986 O ASN A 61 -3.273 -13.486 18.168 1.00 0.00 O ATOM 987 CB ASN A 61 -1.069 -15.100 18.956 1.00 0.00 C ATOM 988 CG ASN A 61 -1.036 -13.980 19.997 1.00 0.00 C ATOM 989 OD1 ASN A 61 -1.642 -14.089 21.069 1.00 0.00 O ATOM 990 ND2 ASN A 61 -0.285 -12.887 19.658 1.00 0.00 N ATOM 0 H ASN A 61 -2.062 -16.667 16.970 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.884 -15.899 19.723 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.404 -15.904 19.273 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.682 -14.721 18.010 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.203 -12.104 20.306 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.192 -12.856 18.757 1.00 0.00 H new ATOM 997 N GLY A 62 -4.476 -15.220 17.392 1.00 0.00 N ATOM 998 CA GLY A 62 -5.498 -14.371 16.847 1.00 0.00 C ATOM 999 C GLY A 62 -6.349 -15.232 15.974 1.00 0.00 C ATOM 1000 O GLY A 62 -5.836 -15.953 15.124 1.00 0.00 O ATOM 0 H GLY A 62 -4.614 -16.217 17.224 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.091 -13.920 17.642 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.058 -13.554 16.275 1.00 0.00 H new ATOM 1004 N ASN A 63 -7.683 -15.181 16.175 1.00 0.00 N ATOM 1005 CA ASN A 63 -8.586 -16.081 15.512 1.00 0.00 C ATOM 1006 C ASN A 63 -9.169 -15.339 14.342 1.00 0.00 C ATOM 1007 O ASN A 63 -9.132 -14.109 14.366 1.00 0.00 O ATOM 1008 CB ASN A 63 -9.712 -16.610 16.441 1.00 0.00 C ATOM 1009 CG ASN A 63 -10.530 -15.477 17.070 1.00 0.00 C ATOM 1010 OD1 ASN A 63 -10.037 -14.977 18.244 1.00 0.00 O flip ATOM 1011 ND2 ASN A 63 -11.586 -15.089 16.555 1.00 0.00 N flip ATOM 0 H ASN A 63 -8.138 -14.514 16.799 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.036 -16.966 15.193 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -10.375 -17.260 15.870 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.272 -17.219 17.231 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -11.906 -15.498 15.677 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -12.137 -14.360 17.008 1.00 0.00 H new ATOM 1018 N PRO A 64 -9.704 -16.004 13.320 1.00 0.00 N ATOM 1019 CA PRO A 64 -10.372 -15.351 12.227 1.00 0.00 C ATOM 1020 C PRO A 64 -11.674 -14.841 12.758 1.00 0.00 C ATOM 1021 O PRO A 64 -12.408 -15.577 13.419 1.00 0.00 O ATOM 1022 CB PRO A 64 -10.566 -16.434 11.162 1.00 0.00 C ATOM 1023 CG PRO A 64 -10.428 -17.760 11.914 1.00 0.00 C ATOM 1024 CD PRO A 64 -9.468 -17.409 13.050 1.00 0.00 C ATOM 0 HA PRO A 64 -9.827 -14.511 11.797 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -11.544 -16.350 10.687 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.820 -16.349 10.372 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.388 -18.113 12.291 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -10.028 -18.547 11.275 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.661 -18.018 13.933 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.432 -17.587 12.761 1.00 0.00 H new ATOM 1032 N HIS A 65 -11.946 -13.558 12.465 1.00 0.00 N ATOM 1033 CA HIS A 65 -13.060 -12.836 12.986 1.00 0.00 C ATOM 1034 C HIS A 65 -13.767 -12.312 11.787 1.00 0.00 C ATOM 1035 O HIS A 65 -13.148 -11.645 10.962 1.00 0.00 O ATOM 1036 CB HIS A 65 -12.570 -11.648 13.835 1.00 0.00 C ATOM 1037 CG HIS A 65 -13.638 -10.751 14.374 1.00 0.00 C ATOM 1038 ND1 HIS A 65 -14.623 -11.189 15.216 1.00 0.00 N ATOM 1039 CD2 HIS A 65 -13.788 -9.413 14.244 1.00 0.00 C ATOM 1040 CE1 HIS A 65 -15.351 -10.144 15.584 1.00 0.00 C ATOM 1041 NE2 HIS A 65 -14.862 -9.052 15.010 1.00 0.00 N ATOM 0 H HIS A 65 -11.364 -13.002 11.839 1.00 0.00 H new ATOM 0 HA HIS A 65 -13.693 -13.462 13.615 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -11.992 -12.038 14.673 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.890 -11.049 13.230 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -13.175 -8.754 13.647 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -16.205 -10.176 16.245 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -15.225 -8.105 15.121 1.00 0.00 H new ATOM 1050 N ARG A 66 -15.084 -12.607 11.688 1.00 0.00 N ATOM 1051 CA ARG A 66 -15.955 -12.186 10.614 1.00 0.00 C ATOM 1052 C ARG A 66 -15.548 -12.815 9.314 1.00 0.00 C ATOM 1053 O ARG A 66 -15.844 -13.983 9.063 1.00 0.00 O ATOM 1054 CB ARG A 66 -16.111 -10.657 10.448 1.00 0.00 C ATOM 1055 CG ARG A 66 -16.690 -9.975 11.695 1.00 0.00 C ATOM 1056 CD ARG A 66 -16.765 -8.454 11.544 1.00 0.00 C ATOM 1057 NE ARG A 66 -17.206 -7.890 12.851 1.00 0.00 N ATOM 1058 CZ ARG A 66 -16.951 -6.589 13.182 1.00 0.00 C ATOM 1059 NH1 ARG A 66 -16.330 -5.755 12.299 1.00 0.00 N ATOM 1060 NH2 ARG A 66 -17.319 -6.123 14.412 1.00 0.00 N ATOM 0 H ARG A 66 -15.568 -13.167 12.390 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.942 -12.542 10.909 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -15.138 -10.221 10.220 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.759 -10.454 9.595 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -17.688 -10.368 11.891 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -16.075 -10.222 12.560 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -15.793 -8.049 11.261 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -17.465 -8.182 10.754 1.00 0.00 H new ATOM 0 HE ARG A 66 -17.707 -8.486 13.510 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -16.051 -6.101 11.381 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -16.145 -4.786 12.557 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -17.781 -6.745 15.076 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -17.132 -5.153 14.667 1.00 0.00 H new ATOM 1074 N GLU A 67 -14.869 -12.035 8.450 1.00 0.00 N ATOM 1075 CA GLU A 67 -14.435 -12.481 7.169 1.00 0.00 C ATOM 1076 C GLU A 67 -13.197 -11.694 6.923 1.00 0.00 C ATOM 1077 O GLU A 67 -13.257 -10.497 6.654 1.00 0.00 O ATOM 1078 CB GLU A 67 -15.451 -12.217 6.037 1.00 0.00 C ATOM 1079 CG GLU A 67 -15.000 -12.738 4.665 1.00 0.00 C ATOM 1080 CD GLU A 67 -16.150 -12.538 3.689 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -16.536 -11.361 3.459 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -16.658 -13.562 3.158 1.00 0.00 O ATOM 0 H GLU A 67 -14.617 -11.068 8.653 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.296 -13.562 7.168 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.401 -12.684 6.298 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.632 -11.144 5.966 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.114 -12.202 4.326 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.731 -13.792 4.727 1.00 0.00 H new ATOM 1089 N ASN A 68 -12.049 -12.394 7.049 1.00 0.00 N ATOM 1090 CA ASN A 68 -10.689 -11.998 6.741 1.00 0.00 C ATOM 1091 C ASN A 68 -10.066 -11.062 7.738 1.00 0.00 C ATOM 1092 O ASN A 68 -8.918 -10.653 7.567 1.00 0.00 O ATOM 1093 CB ASN A 68 -10.379 -11.582 5.268 1.00 0.00 C ATOM 1094 CG ASN A 68 -10.628 -10.105 4.903 1.00 0.00 C ATOM 1095 OD1 ASN A 68 -9.794 -9.224 5.143 1.00 0.00 O ATOM 1096 ND2 ASN A 68 -11.792 -9.856 4.229 1.00 0.00 N ATOM 0 H ASN A 68 -12.073 -13.348 7.408 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.183 -12.958 6.846 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.334 -11.813 5.061 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.980 -12.203 4.604 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -12.000 -8.912 3.902 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.452 -10.614 4.053 1.00 0.00 H new ATOM 1103 N LEU A 69 -10.801 -10.721 8.818 1.00 0.00 N ATOM 1104 CA LEU A 69 -10.306 -9.849 9.841 1.00 0.00 C ATOM 1105 C LEU A 69 -9.846 -10.773 10.904 1.00 0.00 C ATOM 1106 O LEU A 69 -10.049 -11.981 10.816 1.00 0.00 O ATOM 1107 CB LEU A 69 -11.348 -8.856 10.396 1.00 0.00 C ATOM 1108 CG LEU A 69 -12.224 -8.165 9.318 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -13.153 -7.131 9.972 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -11.430 -7.474 8.198 1.00 0.00 C ATOM 0 H LEU A 69 -11.751 -11.056 8.982 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.525 -9.202 9.442 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.001 -9.386 11.090 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.829 -8.088 10.969 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.791 -8.971 8.852 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.763 -6.653 9.205 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.802 -7.629 10.693 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.555 -6.376 10.483 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.122 -7.018 7.490 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.790 -6.703 8.628 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.814 -8.210 7.681 1.00 0.00 H new ATOM 1122 N ARG A 70 -9.171 -10.225 11.922 1.00 0.00 N ATOM 1123 CA ARG A 70 -8.517 -11.043 12.900 1.00 0.00 C ATOM 1124 C ARG A 70 -8.653 -10.321 14.188 1.00 0.00 C ATOM 1125 O ARG A 70 -8.144 -9.211 14.315 1.00 0.00 O ATOM 1126 CB ARG A 70 -6.998 -11.179 12.677 1.00 0.00 C ATOM 1127 CG ARG A 70 -6.548 -11.960 11.435 1.00 0.00 C ATOM 1128 CD ARG A 70 -6.760 -13.472 11.557 1.00 0.00 C ATOM 1129 NE ARG A 70 -6.144 -14.118 10.361 1.00 0.00 N ATOM 1130 CZ ARG A 70 -6.830 -14.293 9.192 1.00 0.00 C ATOM 1131 NH1 ARG A 70 -8.146 -13.952 9.092 1.00 0.00 N ATOM 1132 NH2 ARG A 70 -6.183 -14.812 8.107 1.00 0.00 N ATOM 0 H ARG A 70 -9.075 -9.221 12.073 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.965 -12.036 12.858 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.572 -10.177 12.621 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.567 -11.660 13.555 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.095 -11.593 10.566 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.492 -11.762 11.254 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.303 -13.849 12.472 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.823 -13.705 11.612 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.178 -14.440 10.418 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.634 -13.560 9.897 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.643 -14.089 8.212 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.197 -15.065 8.174 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.686 -14.947 7.230 1.00 0.00 H new ATOM 1146 N ILE A 71 -9.322 -10.947 15.181 1.00 0.00 N ATOM 1147 CA ILE A 71 -9.396 -10.359 16.485 1.00 0.00 C ATOM 1148 C ILE A 71 -8.326 -11.053 17.256 1.00 0.00 C ATOM 1149 O ILE A 71 -8.125 -12.257 17.116 1.00 0.00 O ATOM 1150 CB ILE A 71 -10.765 -10.440 17.155 1.00 0.00 C ATOM 1151 CG1 ILE A 71 -10.825 -9.545 18.413 1.00 0.00 C ATOM 1152 CG2 ILE A 71 -11.171 -11.891 17.468 1.00 0.00 C ATOM 1153 CD1 ILE A 71 -12.246 -9.326 18.938 1.00 0.00 C ATOM 0 H ILE A 71 -9.802 -11.842 15.083 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.248 -9.280 16.432 1.00 0.00 H new ATOM 0 HB ILE A 71 -11.496 -10.058 16.443 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.221 -9.997 19.200 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.378 -8.578 18.183 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.152 -11.900 17.944 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.212 -12.465 16.542 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.438 -12.337 18.140 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.213 -8.689 19.822 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -12.849 -8.846 18.167 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.689 -10.287 19.200 1.00 0.00 H new ATOM 1165 N SER A 72 -7.595 -10.273 18.071 1.00 0.00 N ATOM 1166 CA SER A 72 -6.473 -10.775 18.810 1.00 0.00 C ATOM 1167 C SER A 72 -6.879 -11.562 20.017 1.00 0.00 C ATOM 1168 O SER A 72 -8.023 -11.512 20.464 1.00 0.00 O ATOM 1169 CB SER A 72 -5.568 -9.644 19.303 1.00 0.00 C ATOM 1170 OG SER A 72 -6.252 -8.792 20.199 1.00 0.00 O ATOM 0 H SER A 72 -7.782 -9.282 18.221 1.00 0.00 H new ATOM 0 HA SER A 72 -5.944 -11.420 18.108 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.692 -10.065 19.796 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.208 -9.066 18.452 1.00 0.00 H new ATOM 0 HG SER A 72 -5.613 -8.180 20.620 1.00 0.00 H new ATOM 1176 N LYS A 73 -5.899 -12.309 20.570 1.00 0.00 N ATOM 1177 CA LYS A 73 -6.063 -13.054 21.787 1.00 0.00 C ATOM 1178 C LYS A 73 -5.336 -12.311 22.859 1.00 0.00 C ATOM 1179 O LYS A 73 -5.668 -12.420 24.039 1.00 0.00 O ATOM 1180 CB LYS A 73 -5.398 -14.443 21.745 1.00 0.00 C ATOM 1181 CG LYS A 73 -5.987 -15.412 20.711 1.00 0.00 C ATOM 1182 CD LYS A 73 -7.360 -15.983 21.082 1.00 0.00 C ATOM 1183 CE LYS A 73 -7.861 -17.006 20.056 1.00 0.00 C ATOM 1184 NZ LYS A 73 -6.960 -18.178 19.991 1.00 0.00 N ATOM 0 H LYS A 73 -4.969 -12.397 20.160 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.134 -13.173 21.950 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.336 -14.315 21.537 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.477 -14.897 22.733 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.069 -14.896 19.754 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.291 -16.238 20.569 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.302 -16.454 22.063 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.080 -15.169 21.162 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.867 -17.331 20.322 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.927 -16.539 19.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.444 -18.962 19.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -6.100 -17.926 19.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.702 -18.471 20.955 1.00 0.00 H new ATOM 1198 N SER A 74 -4.292 -11.564 22.450 1.00 0.00 N ATOM 1199 CA SER A 74 -3.346 -10.945 23.316 1.00 0.00 C ATOM 1200 C SER A 74 -3.645 -9.487 23.323 1.00 0.00 C ATOM 1201 O SER A 74 -3.000 -8.709 22.625 1.00 0.00 O ATOM 1202 CB SER A 74 -1.911 -11.154 22.813 1.00 0.00 C ATOM 1203 OG SER A 74 -1.840 -10.924 21.414 1.00 0.00 O ATOM 0 H SER A 74 -4.103 -11.386 21.464 1.00 0.00 H new ATOM 0 HA SER A 74 -3.421 -11.382 24.312 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.234 -10.477 23.334 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.584 -12.169 23.038 1.00 0.00 H new ATOM 0 HG SER A 74 -2.202 -10.036 21.210 1.00 0.00 H new ATOM 1209 N SER A 75 -4.653 -9.133 24.142 1.00 0.00 N ATOM 1210 CA SER A 75 -5.131 -7.803 24.440 1.00 0.00 C ATOM 1211 C SER A 75 -4.036 -6.792 24.623 1.00 0.00 C ATOM 1212 O SER A 75 -3.159 -6.929 25.475 1.00 0.00 O ATOM 1213 CB SER A 75 -6.013 -7.771 25.702 1.00 0.00 C ATOM 1214 OG SER A 75 -5.353 -8.394 26.794 1.00 0.00 O ATOM 0 H SER A 75 -5.187 -9.841 24.646 1.00 0.00 H new ATOM 0 HA SER A 75 -5.714 -7.532 23.560 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.253 -6.739 25.957 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.957 -8.278 25.504 1.00 0.00 H new ATOM 0 HG SER A 75 -5.157 -7.725 27.483 1.00 0.00 H new ATOM 1220 N PHE A 76 -4.075 -5.754 23.761 1.00 0.00 N ATOM 1221 CA PHE A 76 -3.037 -4.772 23.656 1.00 0.00 C ATOM 1222 C PHE A 76 -3.508 -3.549 24.338 1.00 0.00 C ATOM 1223 O PHE A 76 -4.712 -3.322 24.496 1.00 0.00 O ATOM 1224 CB PHE A 76 -2.733 -4.315 22.213 1.00 0.00 C ATOM 1225 CG PHE A 76 -2.225 -5.427 21.362 1.00 0.00 C ATOM 1226 CD1 PHE A 76 -3.130 -6.289 20.785 1.00 0.00 C ATOM 1227 CD2 PHE A 76 -0.874 -5.576 21.075 1.00 0.00 C ATOM 1228 CE1 PHE A 76 -2.705 -7.302 19.970 1.00 0.00 C ATOM 1229 CE2 PHE A 76 -0.440 -6.594 20.242 1.00 0.00 C ATOM 1230 CZ PHE A 76 -1.366 -7.461 19.700 1.00 0.00 C ATOM 0 H PHE A 76 -4.852 -5.595 23.119 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.144 -5.234 24.078 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.638 -3.903 21.767 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.996 -3.513 22.236 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.185 -6.164 20.978 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.156 -4.893 21.505 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.425 -7.980 19.536 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.611 -6.708 20.020 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.038 -8.268 19.061 1.00 0.00 H new ATOM 1240 N GLN A 77 -2.515 -2.723 24.727 1.00 0.00 N ATOM 1241 CA GLN A 77 -2.755 -1.440 25.291 1.00 0.00 C ATOM 1242 C GLN A 77 -3.043 -0.518 24.180 1.00 0.00 C ATOM 1243 O GLN A 77 -2.550 -0.704 23.074 1.00 0.00 O ATOM 1244 CB GLN A 77 -1.559 -0.857 26.057 1.00 0.00 C ATOM 1245 CG GLN A 77 -0.820 -1.761 27.039 1.00 0.00 C ATOM 1246 CD GLN A 77 -0.338 -0.857 28.168 1.00 0.00 C ATOM 1247 OE1 GLN A 77 0.585 -0.050 28.009 1.00 0.00 O ATOM 1248 NE2 GLN A 77 -1.034 -1.000 29.339 1.00 0.00 N ATOM 0 H GLN A 77 -1.526 -2.958 24.645 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.574 -1.553 26.001 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.836 -0.501 25.323 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.910 0.016 26.608 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.478 -2.542 27.420 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.019 -2.259 26.554 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.786 -1.686 29.405 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.800 -0.421 30.145 1.00 0.00 H new ATOM 1257 N VAL A 78 -3.876 0.503 24.452 1.00 0.00 N ATOM 1258 CA VAL A 78 -4.377 1.332 23.404 1.00 0.00 C ATOM 1259 C VAL A 78 -4.611 2.687 23.990 1.00 0.00 C ATOM 1260 O VAL A 78 -4.938 2.821 25.166 1.00 0.00 O ATOM 1261 CB VAL A 78 -5.648 0.725 22.836 1.00 0.00 C ATOM 1262 CG1 VAL A 78 -6.796 1.718 22.562 1.00 0.00 C ATOM 1263 CG2 VAL A 78 -5.234 -0.047 21.575 1.00 0.00 C ATOM 0 H VAL A 78 -4.199 0.751 25.387 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.671 1.413 22.577 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.086 0.072 23.591 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.654 1.180 22.159 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.081 2.210 23.492 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.466 2.466 21.842 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.114 -0.506 21.124 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.777 0.639 20.862 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.517 -0.823 21.843 1.00 0.00 H new ATOM 1273 N THR A 79 -4.442 3.730 23.154 1.00 0.00 N ATOM 1274 CA THR A 79 -4.901 5.048 23.461 1.00 0.00 C ATOM 1275 C THR A 79 -5.730 5.416 22.276 1.00 0.00 C ATOM 1276 O THR A 79 -5.194 5.716 21.211 1.00 0.00 O ATOM 1277 CB THR A 79 -3.791 6.051 23.639 1.00 0.00 C ATOM 1278 OG1 THR A 79 -2.955 5.652 24.710 1.00 0.00 O ATOM 1279 CG2 THR A 79 -4.366 7.427 23.990 1.00 0.00 C ATOM 0 H THR A 79 -3.978 3.654 22.249 1.00 0.00 H new ATOM 0 HA THR A 79 -5.436 5.059 24.410 1.00 0.00 H new ATOM 0 HB THR A 79 -3.230 6.104 22.706 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.414 4.883 24.434 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.552 8.140 24.115 1.00 0.00 H new ATOM 0 HG22 THR A 79 -5.022 7.763 23.187 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.934 7.358 24.918 1.00 0.00 H new ATOM 1287 N THR A 80 -7.068 5.403 22.450 1.00 0.00 N ATOM 1288 CA THR A 80 -7.983 5.806 21.421 1.00 0.00 C ATOM 1289 C THR A 80 -8.169 7.280 21.585 1.00 0.00 C ATOM 1290 O THR A 80 -8.945 7.735 22.424 1.00 0.00 O ATOM 1291 CB THR A 80 -9.318 5.102 21.497 1.00 0.00 C ATOM 1292 OG1 THR A 80 -9.109 3.700 21.464 1.00 0.00 O ATOM 1293 CG2 THR A 80 -10.201 5.497 20.300 1.00 0.00 C ATOM 0 H THR A 80 -7.520 5.109 23.316 1.00 0.00 H new ATOM 0 HA THR A 80 -7.572 5.540 20.447 1.00 0.00 H new ATOM 0 HB THR A 80 -9.815 5.392 22.423 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.972 3.239 21.515 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.159 4.982 20.369 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.367 6.574 20.310 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.703 5.215 19.372 1.00 0.00 H new ATOM 1301 N CYS A 81 -7.433 8.055 20.769 1.00 0.00 N ATOM 1302 CA CYS A 81 -7.436 9.479 20.847 1.00 0.00 C ATOM 1303 C CYS A 81 -8.519 9.987 19.980 1.00 0.00 C ATOM 1304 O CYS A 81 -8.507 9.760 18.773 1.00 0.00 O ATOM 1305 CB CYS A 81 -6.137 10.086 20.327 1.00 0.00 C ATOM 1306 SG CYS A 81 -4.763 9.041 20.831 1.00 0.00 S ATOM 0 H CYS A 81 -6.824 7.683 20.041 1.00 0.00 H new ATOM 0 HA CYS A 81 -7.565 9.753 21.894 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -6.168 10.170 19.241 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -6.008 11.094 20.721 1.00 0.00 H new ATOM 1311 N LYS A 82 -9.473 10.699 20.596 1.00 0.00 N ATOM 1312 CA LYS A 82 -10.557 11.267 19.861 1.00 0.00 C ATOM 1313 C LYS A 82 -10.306 12.738 19.857 1.00 0.00 C ATOM 1314 O LYS A 82 -9.833 13.296 20.841 1.00 0.00 O ATOM 1315 CB LYS A 82 -11.933 10.993 20.495 1.00 0.00 C ATOM 1316 CG LYS A 82 -13.114 11.370 19.588 1.00 0.00 C ATOM 1317 CD LYS A 82 -14.468 11.006 20.199 1.00 0.00 C ATOM 1318 CE LYS A 82 -15.631 11.241 19.233 1.00 0.00 C ATOM 1319 NZ LYS A 82 -16.912 10.865 19.869 1.00 0.00 N ATOM 0 H LYS A 82 -9.496 10.882 21.599 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.593 10.825 18.865 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -12.003 9.935 20.748 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.011 11.550 21.429 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -13.086 12.441 19.389 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -13.005 10.865 18.628 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -14.457 9.959 20.500 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -14.626 11.596 21.102 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -15.659 12.289 18.935 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.482 10.656 18.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -17.692 11.030 19.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -16.887 9.859 20.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -17.058 11.442 20.722 1.00 0.00 H new ATOM 1333 N LEU A 83 -10.618 13.381 18.722 1.00 0.00 N ATOM 1334 CA LEU A 83 -10.370 14.768 18.455 1.00 0.00 C ATOM 1335 C LEU A 83 -11.427 15.557 19.161 1.00 0.00 C ATOM 1336 O LEU A 83 -12.618 15.326 18.957 1.00 0.00 O ATOM 1337 CB LEU A 83 -10.501 14.935 16.916 1.00 0.00 C ATOM 1338 CG LEU A 83 -10.241 16.283 16.191 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -11.473 17.194 16.076 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -9.001 17.062 16.646 1.00 0.00 C ATOM 0 H LEU A 83 -11.071 12.907 17.941 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.390 15.106 18.793 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.827 14.206 16.466 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.516 14.634 16.656 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.006 15.942 15.183 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -11.199 18.112 15.556 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -12.255 16.680 15.517 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -11.840 17.437 17.073 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.920 17.985 16.072 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.090 17.301 17.706 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.110 16.455 16.484 1.00 0.00 H new ATOM 1352 N HIS A 84 -10.994 16.525 20.001 1.00 0.00 N ATOM 1353 CA HIS A 84 -11.898 17.457 20.615 1.00 0.00 C ATOM 1354 C HIS A 84 -11.321 18.814 20.408 1.00 0.00 C ATOM 1355 O HIS A 84 -11.239 19.640 21.318 1.00 0.00 O ATOM 1356 CB HIS A 84 -12.162 17.208 22.119 1.00 0.00 C ATOM 1357 CG HIS A 84 -10.973 17.420 23.017 1.00 0.00 C ATOM 1358 ND1 HIS A 84 -11.110 17.914 24.285 1.00 0.00 N ATOM 1359 CD2 HIS A 84 -9.652 17.207 22.814 1.00 0.00 C ATOM 1360 CE1 HIS A 84 -9.905 18.007 24.831 1.00 0.00 C ATOM 1361 NE2 HIS A 84 -9.001 17.586 23.958 1.00 0.00 N ATOM 0 H HIS A 84 -10.015 16.661 20.254 1.00 0.00 H new ATOM 0 HA HIS A 84 -12.875 17.340 20.147 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -12.967 17.867 22.445 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -12.516 16.185 22.246 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -9.196 16.812 21.918 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -9.694 18.368 25.827 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -7.993 17.550 24.112 1.00 0.00 H new ATOM 1370 N GLY A 85 -10.912 19.052 19.154 1.00 0.00 N ATOM 1371 CA GLY A 85 -10.327 20.289 18.735 1.00 0.00 C ATOM 1372 C GLY A 85 -11.446 21.197 18.383 1.00 0.00 C ATOM 1373 O GLY A 85 -11.711 22.182 19.070 1.00 0.00 O ATOM 0 H GLY A 85 -10.989 18.364 18.405 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -9.718 20.717 19.531 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -9.670 20.135 17.879 1.00 0.00 H new ATOM 1377 N GLY A 86 -12.118 20.851 17.272 1.00 0.00 N ATOM 1378 CA GLY A 86 -13.228 21.599 16.754 1.00 0.00 C ATOM 1379 C GLY A 86 -12.844 22.069 15.393 1.00 0.00 C ATOM 1380 O GLY A 86 -13.696 22.214 14.516 1.00 0.00 O ATOM 0 H GLY A 86 -11.886 20.028 16.715 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -14.123 20.978 16.709 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -13.459 22.444 17.402 1.00 0.00 H new ATOM 1384 N SER A 87 -11.533 22.313 15.201 1.00 0.00 N ATOM 1385 CA SER A 87 -10.997 22.725 13.941 1.00 0.00 C ATOM 1386 C SER A 87 -10.732 21.474 13.146 1.00 0.00 C ATOM 1387 O SER A 87 -10.338 20.470 13.740 1.00 0.00 O ATOM 1388 CB SER A 87 -9.670 23.486 14.096 1.00 0.00 C ATOM 1389 OG SER A 87 -8.765 22.738 14.896 1.00 0.00 O ATOM 0 H SER A 87 -10.833 22.222 15.937 1.00 0.00 H new ATOM 0 HA SER A 87 -11.708 23.393 13.455 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.232 23.671 13.115 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.852 24.459 14.553 1.00 0.00 H new ATOM 0 HG SER A 87 -8.026 22.416 14.339 1.00 0.00 H new ATOM 1395 N PRO A 88 -10.897 21.471 11.828 1.00 0.00 N ATOM 1396 CA PRO A 88 -10.467 20.372 11.009 1.00 0.00 C ATOM 1397 C PRO A 88 -8.993 20.486 10.786 1.00 0.00 C ATOM 1398 O PRO A 88 -8.382 19.475 10.456 1.00 0.00 O ATOM 1399 CB PRO A 88 -11.156 20.572 9.659 1.00 0.00 C ATOM 1400 CG PRO A 88 -12.338 21.497 9.956 1.00 0.00 C ATOM 1401 CD PRO A 88 -11.834 22.335 11.130 1.00 0.00 C ATOM 0 HA PRO A 88 -10.700 19.410 11.466 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -10.478 21.018 8.931 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.492 19.623 9.242 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.590 22.118 9.096 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.234 20.935 10.217 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -11.348 23.248 10.785 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.654 22.637 11.781 1.00 0.00 H new ATOM 1409 N TRP A 89 -8.421 21.698 10.902 1.00 0.00 N ATOM 1410 CA TRP A 89 -7.082 21.967 10.476 1.00 0.00 C ATOM 1411 C TRP A 89 -6.175 21.939 11.670 1.00 0.00 C ATOM 1412 O TRP A 89 -6.690 21.971 12.787 1.00 0.00 O ATOM 1413 CB TRP A 89 -7.035 23.342 9.786 1.00 0.00 C ATOM 1414 CG TRP A 89 -7.977 23.373 8.607 1.00 0.00 C ATOM 1415 CD1 TRP A 89 -9.139 24.069 8.456 1.00 0.00 C ATOM 1416 CD2 TRP A 89 -7.840 22.546 7.438 1.00 0.00 C ATOM 1417 NE1 TRP A 89 -9.731 23.739 7.260 1.00 0.00 N ATOM 1418 CE2 TRP A 89 -8.946 22.798 6.627 1.00 0.00 C ATOM 1419 CE3 TRP A 89 -6.882 21.640 7.074 1.00 0.00 C ATOM 1420 CZ2 TRP A 89 -9.109 22.149 5.437 1.00 0.00 C ATOM 1421 CZ3 TRP A 89 -7.051 20.979 5.876 1.00 0.00 C ATOM 1422 CH2 TRP A 89 -8.145 21.230 5.068 1.00 0.00 C ATOM 0 H TRP A 89 -8.898 22.507 11.300 1.00 0.00 H new ATOM 0 HA TRP A 89 -6.751 21.210 9.765 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -7.307 24.122 10.497 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -6.019 23.554 9.453 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -9.536 24.775 9.170 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -10.604 24.125 6.901 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -6.024 21.449 7.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -9.962 22.347 4.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -6.316 20.252 5.563 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -8.248 20.699 4.133 1.00 0.00 H new ATOM 1433 N PRO A 90 -4.853 21.880 11.501 1.00 0.00 N ATOM 1434 CA PRO A 90 -3.932 21.825 12.605 1.00 0.00 C ATOM 1435 C PRO A 90 -3.910 23.184 13.268 1.00 0.00 C ATOM 1436 O PRO A 90 -4.008 24.167 12.533 1.00 0.00 O ATOM 1437 CB PRO A 90 -2.561 21.510 11.988 1.00 0.00 C ATOM 1438 CG PRO A 90 -2.744 21.649 10.474 1.00 0.00 C ATOM 1439 CD PRO A 90 -4.237 21.407 10.276 1.00 0.00 C ATOM 0 HA PRO A 90 -4.204 21.078 13.351 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -1.800 22.198 12.355 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -2.235 20.504 12.252 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -2.447 22.637 10.122 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -2.143 20.922 9.928 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.614 21.949 9.409 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.448 20.351 10.109 1.00 0.00 H new ATOM 1447 N PRO A 91 -3.767 23.334 14.577 1.00 0.00 N ATOM 1448 CA PRO A 91 -3.428 22.297 15.514 1.00 0.00 C ATOM 1449 C PRO A 91 -4.695 21.618 15.927 1.00 0.00 C ATOM 1450 O PRO A 91 -5.791 22.122 15.684 1.00 0.00 O ATOM 1451 CB PRO A 91 -2.832 23.027 16.710 1.00 0.00 C ATOM 1452 CG PRO A 91 -3.474 24.410 16.653 1.00 0.00 C ATOM 1453 CD PRO A 91 -3.629 24.655 15.151 1.00 0.00 C ATOM 0 HA PRO A 91 -2.741 21.555 15.107 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.064 22.517 17.645 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -1.746 23.088 16.640 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.435 24.430 17.167 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -2.845 25.167 17.123 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.502 25.273 14.938 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -2.763 25.176 14.743 1.00 0.00 H new ATOM 1461 N CYS A 92 -4.520 20.443 16.547 1.00 0.00 N ATOM 1462 CA CYS A 92 -5.592 19.539 16.835 1.00 0.00 C ATOM 1463 C CYS A 92 -5.426 19.129 18.259 1.00 0.00 C ATOM 1464 O CYS A 92 -4.358 18.658 18.645 1.00 0.00 O ATOM 1465 CB CYS A 92 -5.498 18.247 16.001 1.00 0.00 C ATOM 1466 SG CYS A 92 -5.473 18.516 14.207 1.00 0.00 S ATOM 0 H CYS A 92 -3.608 20.108 16.859 1.00 0.00 H new ATOM 0 HA CYS A 92 -6.538 20.034 16.617 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -4.595 17.708 16.288 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.344 17.606 16.249 1.00 0.00 H new ATOM 1471 N GLN A 93 -6.492 19.292 19.068 1.00 0.00 N ATOM 1472 CA GLN A 93 -6.470 18.850 20.435 1.00 0.00 C ATOM 1473 C GLN A 93 -6.960 17.444 20.434 1.00 0.00 C ATOM 1474 O GLN A 93 -7.938 17.136 19.758 1.00 0.00 O ATOM 1475 CB GLN A 93 -7.423 19.629 21.355 1.00 0.00 C ATOM 1476 CG GLN A 93 -7.146 21.133 21.411 1.00 0.00 C ATOM 1477 CD GLN A 93 -8.275 21.775 22.214 1.00 0.00 C ATOM 1478 OE1 GLN A 93 -9.055 22.573 21.681 1.00 0.00 O ATOM 1479 NE2 GLN A 93 -8.358 21.403 23.527 1.00 0.00 N ATOM 0 H GLN A 93 -7.367 19.728 18.778 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.455 18.987 20.807 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -8.447 19.471 21.017 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -7.353 19.220 22.363 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -6.182 21.329 21.880 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.103 21.553 20.406 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -7.686 20.740 23.913 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.092 21.789 24.121 1.00 0.00 H new ATOM 1488 N TYR A 94 -6.292 16.560 21.202 1.00 0.00 N ATOM 1489 CA TYR A 94 -6.686 15.181 21.271 1.00 0.00 C ATOM 1490 C TYR A 94 -6.918 14.819 22.694 1.00 0.00 C ATOM 1491 O TYR A 94 -6.021 14.932 23.529 1.00 0.00 O ATOM 1492 CB TYR A 94 -5.606 14.225 20.750 1.00 0.00 C ATOM 1493 CG TYR A 94 -5.677 14.293 19.274 1.00 0.00 C ATOM 1494 CD1 TYR A 94 -6.767 13.728 18.650 1.00 0.00 C ATOM 1495 CD2 TYR A 94 -4.724 14.953 18.521 1.00 0.00 C ATOM 1496 CE1 TYR A 94 -6.956 13.891 17.299 1.00 0.00 C ATOM 1497 CE2 TYR A 94 -4.897 15.091 17.160 1.00 0.00 C ATOM 1498 CZ TYR A 94 -6.034 14.595 16.559 1.00 0.00 C ATOM 1499 OH TYR A 94 -6.267 14.798 15.188 1.00 0.00 O ATOM 0 H TYR A 94 -5.482 16.798 21.774 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.578 15.080 20.653 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.619 14.520 21.107 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.782 13.209 21.102 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.477 13.153 19.226 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.845 15.360 18.998 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.826 13.468 16.819 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.143 15.587 16.566 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.032 14.256 14.902 1.00 0.00 H new ATOM 1509 N ARG A 95 -8.147 14.344 22.975 1.00 0.00 N ATOM 1510 CA ARG A 95 -8.508 13.807 24.254 1.00 0.00 C ATOM 1511 C ARG A 95 -8.247 12.342 24.162 1.00 0.00 C ATOM 1512 O ARG A 95 -8.897 11.633 23.397 1.00 0.00 O ATOM 1513 CB ARG A 95 -9.989 14.057 24.624 1.00 0.00 C ATOM 1514 CG ARG A 95 -10.363 13.711 26.077 1.00 0.00 C ATOM 1515 CD ARG A 95 -11.011 12.333 26.264 1.00 0.00 C ATOM 1516 NE ARG A 95 -11.220 12.097 27.725 1.00 0.00 N ATOM 1517 CZ ARG A 95 -12.380 12.433 28.363 1.00 0.00 C ATOM 1518 NH1 ARG A 95 -13.406 13.028 27.690 1.00 0.00 N ATOM 1519 NH2 ARG A 95 -12.511 12.172 29.698 1.00 0.00 N ATOM 0 H ARG A 95 -8.909 14.333 22.297 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.927 14.296 25.036 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.220 15.107 24.445 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.619 13.473 23.953 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.463 13.760 26.690 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -11.047 14.472 26.452 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -11.962 12.288 25.734 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -10.374 11.555 25.843 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.468 11.669 28.266 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -13.314 13.229 26.694 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -14.265 13.272 28.182 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.747 11.730 30.209 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.373 12.419 30.184 1.00 0.00 H new ATOM 1533 N ALA A 96 -7.281 11.864 24.966 1.00 0.00 N ATOM 1534 CA ALA A 96 -6.906 10.484 24.992 1.00 0.00 C ATOM 1535 C ALA A 96 -7.829 9.729 25.887 1.00 0.00 C ATOM 1536 O ALA A 96 -8.000 10.083 27.053 1.00 0.00 O ATOM 1537 CB ALA A 96 -5.507 10.310 25.588 1.00 0.00 C ATOM 0 H ALA A 96 -6.749 12.448 25.611 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.941 10.120 23.965 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.244 9.252 25.597 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.784 10.858 24.985 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.495 10.695 26.608 1.00 0.00 H new ATOM 1543 N THR A 97 -8.432 8.648 25.344 1.00 0.00 N ATOM 1544 CA THR A 97 -9.244 7.742 26.107 1.00 0.00 C ATOM 1545 C THR A 97 -8.539 6.426 26.023 1.00 0.00 C ATOM 1546 O THR A 97 -8.599 5.752 24.997 1.00 0.00 O ATOM 1547 CB THR A 97 -10.649 7.608 25.564 1.00 0.00 C ATOM 1548 OG1 THR A 97 -11.231 8.898 25.442 1.00 0.00 O ATOM 1549 CG2 THR A 97 -11.515 6.757 26.514 1.00 0.00 C ATOM 0 H THR A 97 -8.354 8.400 24.358 1.00 0.00 H new ATOM 0 HA THR A 97 -9.360 8.106 27.128 1.00 0.00 H new ATOM 0 HB THR A 97 -10.603 7.121 24.590 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.141 8.814 25.089 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.523 6.671 26.108 1.00 0.00 H new ATOM 0 HG22 THR A 97 -11.077 5.764 26.613 1.00 0.00 H new ATOM 0 HG23 THR A 97 -11.558 7.234 27.493 1.00 0.00 H new ATOM 1557 N ALA A 98 -7.844 6.041 27.114 1.00 0.00 N ATOM 1558 CA ALA A 98 -7.041 4.851 27.123 1.00 0.00 C ATOM 1559 C ALA A 98 -7.899 3.645 27.344 1.00 0.00 C ATOM 1560 O ALA A 98 -8.706 3.607 28.272 1.00 0.00 O ATOM 1561 CB ALA A 98 -5.982 4.863 28.233 1.00 0.00 C ATOM 0 H ALA A 98 -7.839 6.557 27.994 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.545 4.816 26.153 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.403 3.940 28.194 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.317 5.715 28.092 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.473 4.943 29.203 1.00 0.00 H new ATOM 1567 N GLY A 99 -7.713 2.623 26.479 1.00 0.00 N ATOM 1568 CA GLY A 99 -8.395 1.364 26.588 1.00 0.00 C ATOM 1569 C GLY A 99 -7.343 0.305 26.649 1.00 0.00 C ATOM 1570 O GLY A 99 -6.160 0.582 26.474 1.00 0.00 O ATOM 0 H GLY A 99 -7.074 2.674 25.686 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -9.020 1.339 27.481 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -9.053 1.206 25.734 1.00 0.00 H new ATOM 1574 N PHE A 100 -7.757 -0.948 26.902 1.00 0.00 N ATOM 1575 CA PHE A 100 -6.839 -2.049 26.952 1.00 0.00 C ATOM 1576 C PHE A 100 -7.699 -3.226 26.607 1.00 0.00 C ATOM 1577 O PHE A 100 -8.444 -3.720 27.453 1.00 0.00 O ATOM 1578 CB PHE A 100 -6.177 -2.212 28.349 1.00 0.00 C ATOM 1579 CG PHE A 100 -5.283 -3.408 28.394 1.00 0.00 C ATOM 1580 CD1 PHE A 100 -3.989 -3.341 27.912 1.00 0.00 C ATOM 1581 CD2 PHE A 100 -5.727 -4.594 28.955 1.00 0.00 C ATOM 1582 CE1 PHE A 100 -3.202 -4.476 27.894 1.00 0.00 C ATOM 1583 CE2 PHE A 100 -4.928 -5.717 28.967 1.00 0.00 C ATOM 1584 CZ PHE A 100 -3.665 -5.663 28.420 1.00 0.00 C ATOM 0 H PHE A 100 -8.730 -1.203 27.073 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.996 -1.917 26.274 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -5.602 -1.317 28.587 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.951 -2.306 29.111 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.594 -2.403 27.550 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -6.715 -4.640 29.390 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.213 -4.433 27.463 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.291 -6.636 29.404 1.00 0.00 H new ATOM 0 HZ PHE A 100 -3.042 -6.545 28.403 1.00 0.00 H new ATOM 1594 N ARG A 101 -7.646 -3.685 25.333 1.00 0.00 N ATOM 1595 CA ARG A 101 -8.536 -4.746 24.896 1.00 0.00 C ATOM 1596 C ARG A 101 -7.966 -5.336 23.649 1.00 0.00 C ATOM 1597 O ARG A 101 -6.903 -4.925 23.189 1.00 0.00 O ATOM 1598 CB ARG A 101 -10.072 -4.414 24.778 1.00 0.00 C ATOM 1599 CG ARG A 101 -10.556 -2.971 24.473 1.00 0.00 C ATOM 1600 CD ARG A 101 -10.808 -2.572 23.002 1.00 0.00 C ATOM 1601 NE ARG A 101 -9.617 -2.835 22.165 1.00 0.00 N ATOM 1602 CZ ARG A 101 -8.473 -2.105 22.309 1.00 0.00 C ATOM 1603 NH1 ARG A 101 -8.416 -1.060 23.182 1.00 0.00 N ATOM 1604 NH2 ARG A 101 -7.381 -2.435 21.566 1.00 0.00 N ATOM 0 H ARG A 101 -7.007 -3.337 24.618 1.00 0.00 H new ATOM 0 HA ARG A 101 -8.563 -5.473 25.708 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -10.479 -5.059 23.999 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -10.537 -4.715 25.717 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -11.483 -2.809 25.023 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -9.818 -2.281 24.882 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -11.660 -3.129 22.612 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -11.067 -1.515 22.948 1.00 0.00 H new ATOM 0 HE ARG A 101 -9.652 -3.577 21.466 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -9.235 -0.815 23.738 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -7.554 -0.523 23.279 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -7.426 -3.218 20.914 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -6.518 -1.899 21.662 1.00 0.00 H new ATOM 1618 N ASN A 102 -8.669 -6.339 23.097 1.00 0.00 N ATOM 1619 CA ASN A 102 -8.316 -6.988 21.863 1.00 0.00 C ATOM 1620 C ASN A 102 -8.506 -6.064 20.703 1.00 0.00 C ATOM 1621 O ASN A 102 -9.548 -5.424 20.563 1.00 0.00 O ATOM 1622 CB ASN A 102 -9.231 -8.179 21.534 1.00 0.00 C ATOM 1623 CG ASN A 102 -9.028 -9.332 22.515 1.00 0.00 C ATOM 1624 OD1 ASN A 102 -8.007 -9.442 23.203 1.00 0.00 O ATOM 1625 ND2 ASN A 102 -10.049 -10.245 22.529 1.00 0.00 N ATOM 0 H ASN A 102 -9.516 -6.716 23.522 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.282 -7.303 22.004 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -10.272 -7.857 21.561 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -9.030 -8.524 20.520 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -9.989 -11.068 23.129 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -10.869 -10.102 21.939 1.00 0.00 H new ATOM 1632 N VAL A 103 -7.482 -6.021 19.826 1.00 0.00 N ATOM 1633 CA VAL A 103 -7.522 -5.235 18.623 1.00 0.00 C ATOM 1634 C VAL A 103 -8.141 -6.095 17.570 1.00 0.00 C ATOM 1635 O VAL A 103 -7.881 -7.295 17.522 1.00 0.00 O ATOM 1636 CB VAL A 103 -6.158 -4.765 18.134 1.00 0.00 C ATOM 1637 CG1 VAL A 103 -5.602 -3.747 19.144 1.00 0.00 C ATOM 1638 CG2 VAL A 103 -5.175 -5.937 17.938 1.00 0.00 C ATOM 0 H VAL A 103 -6.612 -6.539 19.952 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.089 -4.328 18.834 1.00 0.00 H new ATOM 0 HB VAL A 103 -6.277 -4.298 17.156 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.625 -3.399 18.810 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.283 -2.899 19.218 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -5.504 -4.220 20.121 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -4.216 -5.553 17.589 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.034 -6.456 18.886 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.578 -6.631 17.201 1.00 0.00 H new ATOM 1648 N VAL A 104 -8.963 -5.489 16.687 1.00 0.00 N ATOM 1649 CA VAL A 104 -9.353 -6.150 15.477 1.00 0.00 C ATOM 1650 C VAL A 104 -8.535 -5.467 14.432 1.00 0.00 C ATOM 1651 O VAL A 104 -8.767 -4.301 14.115 1.00 0.00 O ATOM 1652 CB VAL A 104 -10.825 -6.018 15.130 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -11.124 -6.662 13.761 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -11.642 -6.750 16.202 1.00 0.00 C ATOM 0 H VAL A 104 -9.352 -4.554 16.809 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.193 -7.224 15.567 1.00 0.00 H new ATOM 0 HB VAL A 104 -11.087 -4.961 15.087 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.185 -6.556 13.533 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.535 -6.166 12.989 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.864 -7.720 13.792 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.704 -6.667 15.970 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.356 -7.802 16.222 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.447 -6.303 17.177 1.00 0.00 H new ATOM 1664 N VAL A 105 -7.553 -6.205 13.878 1.00 0.00 N ATOM 1665 CA VAL A 105 -6.752 -5.724 12.782 1.00 0.00 C ATOM 1666 C VAL A 105 -7.245 -6.495 11.591 1.00 0.00 C ATOM 1667 O VAL A 105 -7.730 -7.612 11.756 1.00 0.00 O ATOM 1668 CB VAL A 105 -5.258 -5.943 12.966 1.00 0.00 C ATOM 1669 CG1 VAL A 105 -4.791 -5.215 14.235 1.00 0.00 C ATOM 1670 CG2 VAL A 105 -4.875 -7.427 13.088 1.00 0.00 C ATOM 0 H VAL A 105 -7.309 -7.145 14.190 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.859 -4.644 12.685 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.771 -5.549 12.074 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.721 -5.370 14.370 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.994 -4.148 14.138 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.326 -5.609 15.099 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -3.796 -7.515 13.217 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.380 -7.864 13.949 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.176 -7.956 12.184 1.00 0.00 H new ATOM 1680 N ALA A 106 -7.138 -5.935 10.365 1.00 0.00 N ATOM 1681 CA ALA A 106 -7.466 -6.678 9.177 1.00 0.00 C ATOM 1682 C ALA A 106 -6.181 -7.098 8.560 1.00 0.00 C ATOM 1683 O ALA A 106 -5.287 -6.269 8.373 1.00 0.00 O ATOM 1684 CB ALA A 106 -8.218 -5.880 8.110 1.00 0.00 C ATOM 0 H ALA A 106 -6.828 -4.978 10.196 1.00 0.00 H new ATOM 0 HA ALA A 106 -8.117 -7.495 9.488 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.422 -6.521 7.252 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -9.159 -5.516 8.523 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.610 -5.033 7.793 1.00 0.00 H new ATOM 1690 N CYS A 107 -6.095 -8.410 8.241 1.00 0.00 N ATOM 1691 CA CYS A 107 -4.894 -9.023 7.754 1.00 0.00 C ATOM 1692 C CYS A 107 -5.021 -9.391 6.315 1.00 0.00 C ATOM 1693 O CYS A 107 -5.981 -10.043 5.904 1.00 0.00 O ATOM 1694 CB CYS A 107 -4.546 -10.319 8.509 1.00 0.00 C ATOM 1695 SG CYS A 107 -3.120 -11.183 7.815 1.00 0.00 S ATOM 0 H CYS A 107 -6.880 -9.057 8.325 1.00 0.00 H new ATOM 0 HA CYS A 107 -4.111 -8.280 7.906 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -4.346 -10.081 9.554 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -5.409 -10.984 8.493 1.00 0.00 H new ATOM 1700 N GLU A 108 -3.993 -8.998 5.535 1.00 0.00 N ATOM 1701 CA GLU A 108 -3.752 -9.516 4.224 1.00 0.00 C ATOM 1702 C GLU A 108 -2.347 -10.033 4.284 1.00 0.00 C ATOM 1703 O GLU A 108 -1.471 -9.362 4.822 1.00 0.00 O ATOM 1704 CB GLU A 108 -3.829 -8.421 3.141 1.00 0.00 C ATOM 1705 CG GLU A 108 -3.718 -8.934 1.700 1.00 0.00 C ATOM 1706 CD GLU A 108 -3.834 -7.733 0.773 1.00 0.00 C ATOM 1707 OE1 GLU A 108 -2.954 -6.834 0.854 1.00 0.00 O ATOM 1708 OE2 GLU A 108 -4.806 -7.697 -0.028 1.00 0.00 O ATOM 0 H GLU A 108 -3.310 -8.299 5.828 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.496 -10.268 3.961 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.773 -7.887 3.250 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -3.032 -7.699 3.317 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -2.767 -9.445 1.548 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.506 -9.657 1.490 1.00 0.00 H new ATOM 1715 N ASN A 109 -2.109 -11.237 3.713 1.00 0.00 N ATOM 1716 CA ASN A 109 -0.818 -11.849 3.459 1.00 0.00 C ATOM 1717 C ASN A 109 0.036 -12.200 4.655 1.00 0.00 C ATOM 1718 O ASN A 109 1.248 -12.360 4.518 1.00 0.00 O ATOM 1719 CB ASN A 109 0.054 -11.164 2.362 1.00 0.00 C ATOM 1720 CG ASN A 109 0.634 -9.778 2.705 1.00 0.00 C ATOM 1721 OD1 ASN A 109 1.582 -9.641 3.484 1.00 0.00 O ATOM 1722 ND2 ASN A 109 0.054 -8.726 2.051 1.00 0.00 N ATOM 0 H ASN A 109 -2.877 -11.833 3.403 1.00 0.00 H new ATOM 0 HA ASN A 109 -1.173 -12.800 3.061 1.00 0.00 H new ATOM 0 HB2 ASN A 109 0.883 -11.830 2.121 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -0.549 -11.067 1.459 1.00 0.00 H new ATOM 0 HD21 ASN A 109 0.403 -7.779 2.198 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -0.728 -8.889 1.416 1.00 0.00 H new ATOM 1729 N GLY A 110 -0.563 -12.354 5.855 1.00 0.00 N ATOM 1730 CA GLY A 110 0.184 -12.712 7.032 1.00 0.00 C ATOM 1731 C GLY A 110 0.681 -11.474 7.712 1.00 0.00 C ATOM 1732 O GLY A 110 1.585 -11.542 8.543 1.00 0.00 O ATOM 0 H GLY A 110 -1.563 -12.231 6.012 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.445 -13.285 7.713 1.00 0.00 H new ATOM 0 HA3 GLY A 110 1.024 -13.351 6.761 1.00 0.00 H new ATOM 1736 N LEU A 111 0.090 -10.313 7.363 1.00 0.00 N ATOM 1737 CA LEU A 111 0.506 -9.040 7.886 1.00 0.00 C ATOM 1738 C LEU A 111 -0.765 -8.351 8.232 1.00 0.00 C ATOM 1739 O LEU A 111 -1.652 -8.383 7.388 1.00 0.00 O ATOM 1740 CB LEU A 111 1.077 -8.132 6.792 1.00 0.00 C ATOM 1741 CG LEU A 111 2.598 -7.929 6.780 1.00 0.00 C ATOM 1742 CD1 LEU A 111 3.467 -9.159 7.005 1.00 0.00 C ATOM 1743 CD2 LEU A 111 3.049 -7.214 5.501 1.00 0.00 C ATOM 0 H LEU A 111 -0.689 -10.255 6.707 1.00 0.00 H new ATOM 0 HA LEU A 111 1.233 -9.201 8.682 1.00 0.00 H new ATOM 0 HB2 LEU A 111 0.782 -8.539 5.825 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.605 -7.154 6.883 1.00 0.00 H new ATOM 0 HG LEU A 111 2.762 -7.312 7.664 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.518 -8.873 6.972 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.240 -9.592 7.979 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.266 -9.894 6.226 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.131 -7.083 5.519 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.770 -7.811 4.633 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.567 -6.238 5.440 1.00 0.00 H new ATOM 1755 N PRO A 112 -0.958 -7.714 9.362 1.00 0.00 N ATOM 1756 CA PRO A 112 -2.096 -6.865 9.562 1.00 0.00 C ATOM 1757 C PRO A 112 -1.833 -5.619 8.767 1.00 0.00 C ATOM 1758 O PRO A 112 -0.966 -4.841 9.141 1.00 0.00 O ATOM 1759 CB PRO A 112 -2.126 -6.631 11.065 1.00 0.00 C ATOM 1760 CG PRO A 112 -0.694 -6.865 11.545 1.00 0.00 C ATOM 1761 CD PRO A 112 -0.168 -7.906 10.562 1.00 0.00 C ATOM 0 HA PRO A 112 -3.058 -7.262 9.239 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -2.457 -5.619 11.298 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -2.820 -7.314 11.554 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -0.104 -5.949 11.517 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -0.667 -7.230 12.572 1.00 0.00 H new ATOM 0 HD2 PRO A 112 0.894 -7.762 10.364 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.285 -8.916 10.955 1.00 0.00 H new ATOM 1769 N VAL A 113 -2.573 -5.403 7.662 1.00 0.00 N ATOM 1770 CA VAL A 113 -2.295 -4.308 6.779 1.00 0.00 C ATOM 1771 C VAL A 113 -3.140 -3.126 7.131 1.00 0.00 C ATOM 1772 O VAL A 113 -2.909 -2.034 6.613 1.00 0.00 O ATOM 1773 CB VAL A 113 -2.496 -4.630 5.309 1.00 0.00 C ATOM 1774 CG1 VAL A 113 -1.359 -5.570 4.866 1.00 0.00 C ATOM 1775 CG2 VAL A 113 -3.890 -5.238 5.051 1.00 0.00 C ATOM 0 H VAL A 113 -3.362 -5.985 7.380 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.236 -4.088 6.918 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.458 -3.716 4.717 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -1.481 -5.817 3.811 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.399 -5.075 5.014 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.391 -6.484 5.459 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.001 -5.457 3.989 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -3.997 -6.159 5.624 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.659 -4.529 5.357 1.00 0.00 H new ATOM 1785 N HIS A 114 -4.162 -3.318 7.992 1.00 0.00 N ATOM 1786 CA HIS A 114 -5.172 -2.307 8.124 1.00 0.00 C ATOM 1787 C HIS A 114 -5.687 -2.395 9.505 1.00 0.00 C ATOM 1788 O HIS A 114 -5.579 -3.442 10.138 1.00 0.00 O ATOM 1789 CB HIS A 114 -6.307 -2.572 7.111 1.00 0.00 C ATOM 1790 CG HIS A 114 -7.657 -1.955 7.374 1.00 0.00 C ATOM 1791 ND1 HIS A 114 -8.814 -2.497 7.841 1.00 0.00 N flip ATOM 1792 CD2 HIS A 114 -7.937 -0.667 7.005 1.00 0.00 C flip ATOM 1793 CE1 HIS A 114 -9.778 -1.530 7.738 1.00 0.00 C flip ATOM 1794 NE2 HIS A 114 -9.222 -0.436 7.234 1.00 0.00 N flip ATOM 0 H HIS A 114 -4.288 -4.143 8.578 1.00 0.00 H new ATOM 0 HA HIS A 114 -4.769 -1.314 7.925 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -5.968 -2.227 6.134 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -6.443 -3.651 7.038 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -7.231 0.041 6.597 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -10.815 -1.639 8.019 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -9.706 0.443 7.052 1.00 0.00 H new ATOM 1803 N LEU A 115 -6.244 -1.267 9.999 1.00 0.00 N ATOM 1804 CA LEU A 115 -6.898 -1.265 11.268 1.00 0.00 C ATOM 1805 C LEU A 115 -8.342 -1.106 11.005 1.00 0.00 C ATOM 1806 O LEU A 115 -8.759 -0.152 10.350 1.00 0.00 O ATOM 1807 CB LEU A 115 -6.498 -0.114 12.208 1.00 0.00 C ATOM 1808 CG LEU A 115 -6.606 -0.488 13.713 1.00 0.00 C ATOM 1809 CD1 LEU A 115 -6.168 -1.864 14.236 1.00 0.00 C ATOM 1810 CD2 LEU A 115 -6.045 0.580 14.646 1.00 0.00 C ATOM 0 H LEU A 115 -6.239 -0.366 9.520 1.00 0.00 H new ATOM 0 HA LEU A 115 -6.615 -2.194 11.764 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.474 0.188 11.988 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -7.134 0.748 12.008 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.694 -0.556 13.737 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.329 -1.912 15.313 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -6.753 -2.642 13.746 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -5.110 -2.015 14.020 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.153 0.253 15.680 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -4.990 0.739 14.424 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.591 1.512 14.501 1.00 0.00 H new ATOM 1822 N ASP A 116 -9.135 -2.049 11.542 1.00 0.00 N ATOM 1823 CA ASP A 116 -10.555 -1.914 11.513 1.00 0.00 C ATOM 1824 C ASP A 116 -10.886 -1.007 12.637 1.00 0.00 C ATOM 1825 O ASP A 116 -10.463 -1.226 13.769 1.00 0.00 O ATOM 1826 CB ASP A 116 -11.303 -3.231 11.723 1.00 0.00 C ATOM 1827 CG ASP A 116 -10.962 -4.115 10.537 1.00 0.00 C ATOM 1828 OD1 ASP A 116 -11.409 -3.794 9.405 1.00 0.00 O ATOM 1829 OD2 ASP A 116 -10.246 -5.128 10.748 1.00 0.00 O ATOM 0 H ASP A 116 -8.795 -2.899 11.993 1.00 0.00 H new ATOM 0 HA ASP A 116 -10.858 -1.546 10.533 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.002 -3.703 12.658 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -12.378 -3.061 11.784 1.00 0.00 H new ATOM 1834 N GLN A 117 -11.671 0.041 12.317 1.00 0.00 N ATOM 1835 CA GLN A 117 -12.082 1.057 13.238 1.00 0.00 C ATOM 1836 C GLN A 117 -13.525 0.780 13.508 1.00 0.00 C ATOM 1837 O GLN A 117 -14.372 1.658 13.377 1.00 0.00 O ATOM 1838 CB GLN A 117 -11.952 2.478 12.653 1.00 0.00 C ATOM 1839 CG GLN A 117 -10.505 2.881 12.336 1.00 0.00 C ATOM 1840 CD GLN A 117 -9.711 2.830 13.636 1.00 0.00 C ATOM 1841 OE1 GLN A 117 -8.874 1.943 13.833 1.00 0.00 O ATOM 1842 NE2 GLN A 117 -10.014 3.789 14.559 1.00 0.00 N ATOM 0 H GLN A 117 -12.034 0.185 11.375 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.453 1.029 14.128 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -12.546 2.543 11.742 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -12.373 3.193 13.360 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -10.073 2.205 11.598 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -10.473 3.883 11.908 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -10.714 4.499 14.345 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -9.540 3.795 15.462 1.00 0.00 H new ATOM 1851 N SER A 118 -13.827 -0.482 13.865 1.00 0.00 N ATOM 1852 CA SER A 118 -15.166 -0.931 14.099 1.00 0.00 C ATOM 1853 C SER A 118 -15.521 -0.662 15.522 1.00 0.00 C ATOM 1854 O SER A 118 -16.598 -0.139 15.802 1.00 0.00 O ATOM 1855 CB SER A 118 -15.346 -2.436 13.846 1.00 0.00 C ATOM 1856 OG SER A 118 -16.689 -2.815 14.109 1.00 0.00 O ATOM 0 H SER A 118 -13.123 -1.209 13.994 1.00 0.00 H new ATOM 0 HA SER A 118 -15.810 -0.392 13.404 1.00 0.00 H new ATOM 0 HB2 SER A 118 -15.088 -2.673 12.814 1.00 0.00 H new ATOM 0 HB3 SER A 118 -14.668 -3.004 14.483 1.00 0.00 H new ATOM 0 HG SER A 118 -17.089 -3.186 13.295 1.00 0.00 H new ATOM 1862 N ILE A 119 -14.611 -1.031 16.456 1.00 0.00 N ATOM 1863 CA ILE A 119 -14.880 -0.912 17.863 1.00 0.00 C ATOM 1864 C ILE A 119 -14.518 0.485 18.235 1.00 0.00 C ATOM 1865 O ILE A 119 -15.096 1.073 19.147 1.00 0.00 O ATOM 1866 CB ILE A 119 -14.191 -1.948 18.762 1.00 0.00 C ATOM 1867 CG1 ILE A 119 -12.812 -1.608 19.375 1.00 0.00 C ATOM 1868 CG2 ILE A 119 -14.018 -3.210 17.908 1.00 0.00 C ATOM 1869 CD1 ILE A 119 -12.847 -0.912 20.742 1.00 0.00 C ATOM 0 H ILE A 119 -13.691 -1.411 16.234 1.00 0.00 H new ATOM 0 HA ILE A 119 -15.934 -1.128 18.035 1.00 0.00 H new ATOM 0 HB ILE A 119 -14.840 -2.032 19.634 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -12.240 -2.531 19.472 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -12.271 -0.970 18.676 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -13.530 -3.985 18.499 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -14.995 -3.564 17.580 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -13.405 -2.979 17.037 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -11.828 -0.720 21.079 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -13.385 0.032 20.656 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -13.353 -1.553 21.464 1.00 0.00 H new ATOM 1881 N PHE A 120 -13.497 1.016 17.527 1.00 0.00 N ATOM 1882 CA PHE A 120 -12.774 2.180 17.925 1.00 0.00 C ATOM 1883 C PHE A 120 -13.428 3.417 17.429 1.00 0.00 C ATOM 1884 O PHE A 120 -13.042 4.509 17.838 1.00 0.00 O ATOM 1885 CB PHE A 120 -11.369 2.203 17.327 1.00 0.00 C ATOM 1886 CG PHE A 120 -10.592 1.008 17.759 1.00 0.00 C ATOM 1887 CD1 PHE A 120 -10.262 0.804 19.086 1.00 0.00 C ATOM 1888 CD2 PHE A 120 -10.138 0.104 16.816 1.00 0.00 C ATOM 1889 CE1 PHE A 120 -9.423 -0.226 19.431 1.00 0.00 C ATOM 1890 CE2 PHE A 120 -9.328 -0.955 17.171 1.00 0.00 C ATOM 1891 CZ PHE A 120 -8.950 -1.111 18.486 1.00 0.00 C ATOM 0 H PHE A 120 -13.168 0.617 16.648 1.00 0.00 H new ATOM 0 HA PHE A 120 -12.745 2.145 19.014 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -11.432 2.228 16.239 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -10.851 3.111 17.637 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -10.664 1.454 19.850 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -10.423 0.229 15.782 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -9.128 -0.345 20.463 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -8.992 -1.657 16.422 1.00 0.00 H new ATOM 0 HZ PHE A 120 -8.291 -1.917 18.773 1.00 0.00 H new