USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 667 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 60 LYS NZ :NH3+ 165:sc= 0.705 (180deg=-0.559) USER MOD Set 1.2: A 61 SER OG : rot -157:sc= 1.32 USER MOD Single : A 10 LYS NZ :NH3+ 164:sc= -0.079 (180deg=-0.344) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.824 X(o=-0.82,f=-1.2) USER MOD Single : A 21 GLN :FLIP amide:sc= -1.42 F(o=-4.2!,f=-1.4) USER MOD Single : A 31 THR OG1 : rot -124:sc= 0.47 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.323 X(o=-0.32,f=-0.66) USER MOD Single : A 40 TYR OH : rot -105:sc= -1.15 USER MOD Single : A 54 LYS NZ :NH3+ -179:sc= 0.274 (180deg=0.274) USER MOD Single : A 55 MET CE :methyl 175:sc= -2.46 (180deg=-2.73) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -155:sc= 0 (180deg=-1.2) USER MOD Single : A 70 ASN :FLIP amide:sc= -0.011 F(o=-1.2,f=-0.011) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -4.21 K(o=-4.2,f=-10!) USER MOD Single : A 80 THR OG1 : rot -72:sc= 1.23 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN :FLIP amide:sc= -0.271 F(o=-4.1!,f=-0.27) USER MOD Single : A 95 SER OG : rot -13:sc= 0.273 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N GLY A 9 7.266 -1.904 10.255 1.00 1.01 N ATOM 104 CA GLY A 9 5.938 -2.339 9.859 1.00 1.09 C ATOM 105 C GLY A 9 4.971 -1.182 9.696 1.00 1.08 C ATOM 106 O GLY A 9 3.951 -1.306 9.018 1.00 1.26 O ATOM 0 HA2 GLY A 9 6.004 -2.888 8.920 1.00 1.09 H new ATOM 0 HA3 GLY A 9 5.548 -3.031 10.606 1.00 1.09 H new ATOM 110 N LYS A 10 5.294 -0.054 10.323 1.00 1.12 N ATOM 111 CA LYS A 10 4.449 1.136 10.260 1.00 1.33 C ATOM 112 C LYS A 10 4.256 1.628 8.820 1.00 1.14 C ATOM 113 O LYS A 10 3.123 1.841 8.390 1.00 1.22 O ATOM 114 CB LYS A 10 5.038 2.252 11.125 1.00 1.68 C ATOM 115 CG LYS A 10 4.184 3.509 11.164 1.00 2.23 C ATOM 116 CD LYS A 10 4.782 4.568 12.078 1.00 3.07 C ATOM 117 CE LYS A 10 6.112 5.083 11.548 1.00 3.89 C ATOM 118 NZ LYS A 10 5.982 5.662 10.184 1.00 4.57 N ATOM 0 H LYS A 10 6.139 0.061 10.883 1.00 1.12 H new ATOM 0 HA LYS A 10 3.468 0.860 10.647 1.00 1.33 H new ATOM 0 HB2 LYS A 10 5.170 1.881 12.141 1.00 1.68 H new ATOM 0 HB3 LYS A 10 6.028 2.508 10.748 1.00 1.68 H new ATOM 0 HG2 LYS A 10 4.084 3.912 10.156 1.00 2.23 H new ATOM 0 HG3 LYS A 10 3.181 3.257 11.507 1.00 2.23 H new ATOM 0 HD2 LYS A 10 4.084 5.399 12.178 1.00 3.07 H new ATOM 0 HD3 LYS A 10 4.925 4.150 13.075 1.00 3.07 H new ATOM 0 HE2 LYS A 10 6.504 5.840 12.227 1.00 3.89 H new ATOM 0 HE3 LYS A 10 6.835 4.267 11.528 1.00 3.89 H new ATOM 0 HZ1 LYS A 10 6.823 6.235 9.969 1.00 4.57 H new ATOM 0 HZ2 LYS A 10 5.899 4.894 9.487 1.00 4.57 H new ATOM 0 HZ3 LYS A 10 5.133 6.262 10.141 1.00 4.57 H new ATOM 132 N PRO A 11 5.349 1.820 8.047 1.00 1.03 N ATOM 133 CA PRO A 11 5.251 2.296 6.660 1.00 1.05 C ATOM 134 C PRO A 11 4.471 1.336 5.773 1.00 0.77 C ATOM 135 O PRO A 11 3.451 1.705 5.189 1.00 0.72 O ATOM 136 CB PRO A 11 6.710 2.374 6.193 1.00 1.20 C ATOM 137 CG PRO A 11 7.456 1.481 7.121 1.00 1.49 C ATOM 138 CD PRO A 11 6.751 1.587 8.441 1.00 1.15 C ATOM 0 HA PRO A 11 4.720 3.246 6.601 1.00 1.05 H new ATOM 0 HB2 PRO A 11 6.812 2.044 5.159 1.00 1.20 H new ATOM 0 HB3 PRO A 11 7.086 3.396 6.240 1.00 1.20 H new ATOM 0 HG2 PRO A 11 7.457 0.453 6.759 1.00 1.49 H new ATOM 0 HG3 PRO A 11 8.498 1.789 7.208 1.00 1.49 H new ATOM 0 HD2 PRO A 11 6.859 0.677 9.031 1.00 1.15 H new ATOM 0 HD3 PRO A 11 7.143 2.406 9.044 1.00 1.15 H new ATOM 146 N LEU A 12 4.959 0.102 5.681 1.00 0.70 N ATOM 147 CA LEU A 12 4.324 -0.922 4.857 1.00 0.57 C ATOM 148 C LEU A 12 2.831 -1.029 5.155 1.00 0.48 C ATOM 149 O LEU A 12 2.042 -1.391 4.282 1.00 0.53 O ATOM 150 CB LEU A 12 5.002 -2.273 5.080 1.00 0.61 C ATOM 151 CG LEU A 12 5.072 -3.166 3.843 1.00 0.58 C ATOM 152 CD1 LEU A 12 6.156 -2.677 2.895 1.00 1.01 C ATOM 153 CD2 LEU A 12 5.321 -4.611 4.241 1.00 0.91 C ATOM 0 H LEU A 12 5.797 -0.214 6.170 1.00 0.70 H new ATOM 0 HA LEU A 12 4.439 -0.631 3.813 1.00 0.57 H new ATOM 0 HB2 LEU A 12 6.015 -2.100 5.444 1.00 0.61 H new ATOM 0 HB3 LEU A 12 4.468 -2.806 5.866 1.00 0.61 H new ATOM 0 HG LEU A 12 4.114 -3.114 3.326 1.00 0.58 H new ATOM 0 HD11 LEU A 12 6.192 -3.325 2.019 1.00 1.01 H new ATOM 0 HD12 LEU A 12 5.933 -1.657 2.583 1.00 1.01 H new ATOM 0 HD13 LEU A 12 7.120 -2.699 3.403 1.00 1.01 H new ATOM 0 HD21 LEU A 12 5.368 -5.232 3.346 1.00 0.91 H new ATOM 0 HD22 LEU A 12 6.265 -4.682 4.782 1.00 0.91 H new ATOM 0 HD23 LEU A 12 4.509 -4.957 4.881 1.00 0.91 H new ATOM 165 N SER A 13 2.449 -0.716 6.390 1.00 0.52 N ATOM 166 CA SER A 13 1.048 -0.775 6.790 1.00 0.61 C ATOM 167 C SER A 13 0.240 0.304 6.076 1.00 0.58 C ATOM 168 O SER A 13 -0.740 0.010 5.391 1.00 0.69 O ATOM 169 CB SER A 13 0.921 -0.617 8.306 1.00 0.78 C ATOM 170 OG SER A 13 -0.439 -0.551 8.701 1.00 1.39 O ATOM 0 H SER A 13 3.088 -0.420 7.128 1.00 0.52 H new ATOM 0 HA SER A 13 0.650 -1.749 6.505 1.00 0.61 H new ATOM 0 HB2 SER A 13 1.407 -1.456 8.804 1.00 0.78 H new ATOM 0 HB3 SER A 13 1.440 0.287 8.625 1.00 0.78 H new ATOM 0 HG SER A 13 -0.492 -0.452 9.674 1.00 1.39 H new ATOM 176 N GLY A 14 0.660 1.555 6.241 1.00 0.56 N ATOM 177 CA GLY A 14 -0.024 2.661 5.596 1.00 0.59 C ATOM 178 C GLY A 14 0.631 3.036 4.281 1.00 0.55 C ATOM 179 O GLY A 14 0.606 4.196 3.871 1.00 0.58 O ATOM 0 H GLY A 14 1.463 1.822 6.811 1.00 0.56 H new ATOM 0 HA2 GLY A 14 -1.065 2.392 5.420 1.00 0.59 H new ATOM 0 HA3 GLY A 14 -0.026 3.525 6.261 1.00 0.59 H new ATOM 183 N LEU A 15 1.218 2.042 3.625 1.00 0.52 N ATOM 184 CA LEU A 15 1.894 2.248 2.352 1.00 0.52 C ATOM 185 C LEU A 15 0.891 2.512 1.239 1.00 0.46 C ATOM 186 O LEU A 15 0.886 3.587 0.643 1.00 0.47 O ATOM 187 CB LEU A 15 2.737 1.020 2.009 1.00 0.57 C ATOM 188 CG LEU A 15 4.155 1.313 1.507 1.00 0.69 C ATOM 189 CD1 LEU A 15 4.111 2.262 0.324 1.00 0.97 C ATOM 190 CD2 LEU A 15 5.021 1.887 2.623 1.00 1.10 C ATOM 0 H LEU A 15 1.239 1.078 3.958 1.00 0.52 H new ATOM 0 HA LEU A 15 2.541 3.120 2.444 1.00 0.52 H new ATOM 0 HB2 LEU A 15 2.807 0.390 2.896 1.00 0.57 H new ATOM 0 HB3 LEU A 15 2.213 0.442 1.248 1.00 0.57 H new ATOM 0 HG LEU A 15 4.603 0.374 1.183 1.00 0.69 H new ATOM 0 HD11 LEU A 15 5.126 2.460 -0.021 1.00 0.97 H new ATOM 0 HD12 LEU A 15 3.535 1.810 -0.484 1.00 0.97 H new ATOM 0 HD13 LEU A 15 3.641 3.198 0.626 1.00 0.97 H new ATOM 0 HD21 LEU A 15 6.022 2.086 2.241 1.00 1.10 H new ATOM 0 HD22 LEU A 15 4.580 2.815 2.985 1.00 1.10 H new ATOM 0 HD23 LEU A 15 5.081 1.170 3.442 1.00 1.10 H new ATOM 202 N LEU A 16 0.041 1.523 0.964 1.00 0.45 N ATOM 203 CA LEU A 16 -0.973 1.651 -0.080 1.00 0.42 C ATOM 204 C LEU A 16 -1.791 2.920 0.135 1.00 0.40 C ATOM 205 O LEU A 16 -2.422 3.435 -0.788 1.00 0.41 O ATOM 206 CB LEU A 16 -1.898 0.422 -0.100 1.00 0.47 C ATOM 207 CG LEU A 16 -1.209 -0.950 -0.039 1.00 0.53 C ATOM 208 CD1 LEU A 16 0.082 -0.960 -0.851 1.00 0.86 C ATOM 209 CD2 LEU A 16 -0.942 -1.359 1.403 1.00 0.92 C ATOM 0 H LEU A 16 0.035 0.626 1.449 1.00 0.45 H new ATOM 0 HA LEU A 16 -0.466 1.713 -1.043 1.00 0.42 H new ATOM 0 HB2 LEU A 16 -2.585 0.497 0.743 1.00 0.47 H new ATOM 0 HB3 LEU A 16 -2.501 0.462 -1.007 1.00 0.47 H new ATOM 0 HG LEU A 16 -1.887 -1.680 -0.482 1.00 0.53 H new ATOM 0 HD11 LEU A 16 0.545 -1.945 -0.787 1.00 0.86 H new ATOM 0 HD12 LEU A 16 -0.142 -0.731 -1.893 1.00 0.86 H new ATOM 0 HD13 LEU A 16 0.767 -0.211 -0.454 1.00 0.86 H new ATOM 0 HD21 LEU A 16 -0.454 -2.333 1.420 1.00 0.92 H new ATOM 0 HD22 LEU A 16 -0.295 -0.621 1.877 1.00 0.92 H new ATOM 0 HD23 LEU A 16 -1.886 -1.416 1.946 1.00 0.92 H new ATOM 221 N ASN A 17 -1.767 3.416 1.369 1.00 0.40 N ATOM 222 CA ASN A 17 -2.488 4.626 1.735 1.00 0.42 C ATOM 223 C ASN A 17 -1.781 5.872 1.201 1.00 0.38 C ATOM 224 O ASN A 17 -2.419 6.777 0.663 1.00 0.42 O ATOM 225 CB ASN A 17 -2.610 4.708 3.257 1.00 0.47 C ATOM 226 CG ASN A 17 -3.636 3.736 3.810 1.00 1.38 C ATOM 227 OD1 ASN A 17 -4.626 3.418 3.151 1.00 1.93 O ATOM 228 ND2 ASN A 17 -3.400 3.256 5.025 1.00 2.33 N ATOM 0 H ASN A 17 -1.249 2.991 2.138 1.00 0.40 H new ATOM 0 HA ASN A 17 -3.481 4.584 1.289 1.00 0.42 H new ATOM 0 HB2 ASN A 17 -1.639 4.502 3.708 1.00 0.47 H new ATOM 0 HB3 ASN A 17 -2.885 5.723 3.542 1.00 0.47 H new ATOM 0 HD21 ASN A 17 -4.052 2.596 5.448 1.00 2.33 H new ATOM 0 HD22 ASN A 17 -2.566 3.547 5.535 1.00 2.33 H new ATOM 235 N ALA A 18 -0.460 5.910 1.356 1.00 0.37 N ATOM 236 CA ALA A 18 0.338 7.042 0.889 1.00 0.37 C ATOM 237 C ALA A 18 0.516 7.004 -0.625 1.00 0.38 C ATOM 238 O ALA A 18 0.495 8.039 -1.290 1.00 0.44 O ATOM 239 CB ALA A 18 1.696 7.039 1.568 1.00 0.42 C ATOM 0 H ALA A 18 0.082 5.169 1.802 1.00 0.37 H new ATOM 0 HA ALA A 18 -0.194 7.958 1.147 1.00 0.37 H new ATOM 0 HB1 ALA A 18 2.282 7.886 1.213 1.00 0.42 H new ATOM 0 HB2 ALA A 18 1.563 7.116 2.647 1.00 0.42 H new ATOM 0 HB3 ALA A 18 2.219 6.112 1.332 1.00 0.42 H new ATOM 245 N LEU A 19 0.687 5.797 -1.157 1.00 0.42 N ATOM 246 CA LEU A 19 0.887 5.593 -2.589 1.00 0.48 C ATOM 247 C LEU A 19 -0.226 6.234 -3.413 1.00 0.52 C ATOM 248 O LEU A 19 -0.081 6.419 -4.621 1.00 0.69 O ATOM 249 CB LEU A 19 0.964 4.096 -2.892 1.00 0.51 C ATOM 250 CG LEU A 19 2.127 3.363 -2.222 1.00 0.61 C ATOM 251 CD1 LEU A 19 1.958 1.856 -2.343 1.00 0.77 C ATOM 252 CD2 LEU A 19 3.448 3.803 -2.831 1.00 0.94 C ATOM 0 H LEU A 19 0.691 4.936 -0.610 1.00 0.42 H new ATOM 0 HA LEU A 19 1.824 6.074 -2.868 1.00 0.48 H new ATOM 0 HB2 LEU A 19 0.030 3.628 -2.579 1.00 0.51 H new ATOM 0 HB3 LEU A 19 1.042 3.962 -3.971 1.00 0.51 H new ATOM 0 HG LEU A 19 2.130 3.619 -1.162 1.00 0.61 H new ATOM 0 HD11 LEU A 19 2.797 1.356 -1.859 1.00 0.77 H new ATOM 0 HD12 LEU A 19 1.028 1.554 -1.860 1.00 0.77 H new ATOM 0 HD13 LEU A 19 1.927 1.577 -3.396 1.00 0.77 H new ATOM 0 HD21 LEU A 19 4.267 3.273 -2.345 1.00 0.94 H new ATOM 0 HD22 LEU A 19 3.451 3.576 -3.897 1.00 0.94 H new ATOM 0 HD23 LEU A 19 3.575 4.876 -2.689 1.00 0.94 H new ATOM 264 N ALA A 20 -1.334 6.565 -2.760 1.00 0.54 N ATOM 265 CA ALA A 20 -2.460 7.186 -3.444 1.00 0.64 C ATOM 266 C ALA A 20 -2.075 8.554 -3.996 1.00 0.78 C ATOM 267 O ALA A 20 -2.171 9.565 -3.299 1.00 1.59 O ATOM 268 CB ALA A 20 -3.649 7.306 -2.503 1.00 0.76 C ATOM 0 H ALA A 20 -1.476 6.414 -1.761 1.00 0.54 H new ATOM 0 HA ALA A 20 -2.742 6.550 -4.283 1.00 0.64 H new ATOM 0 HB1 ALA A 20 -4.483 7.772 -3.028 1.00 0.76 H new ATOM 0 HB2 ALA A 20 -3.944 6.314 -2.161 1.00 0.76 H new ATOM 0 HB3 ALA A 20 -3.373 7.918 -1.644 1.00 0.76 H new ATOM 274 N GLN A 21 -1.629 8.575 -5.249 1.00 0.71 N ATOM 275 CA GLN A 21 -1.223 9.817 -5.899 1.00 0.81 C ATOM 276 C GLN A 21 -2.387 10.800 -5.968 1.00 1.05 C ATOM 277 O GLN A 21 -2.333 11.883 -5.386 1.00 1.54 O ATOM 278 CB GLN A 21 -0.701 9.531 -7.309 1.00 1.12 C ATOM 279 CG GLN A 21 0.759 9.904 -7.513 1.00 1.08 C ATOM 280 CD GLN A 21 1.702 9.080 -6.658 1.00 1.24 C ATOM 281 OE1 GLN A 21 2.836 9.667 -6.295 1.00 1.87 O flip ATOM 282 NE2 GLN A 21 1.416 7.929 -6.329 1.00 1.21 N flip ATOM 0 H GLN A 21 -1.540 7.745 -5.835 1.00 0.71 H new ATOM 0 HA GLN A 21 -0.426 10.265 -5.306 1.00 0.81 H new ATOM 0 HB2 GLN A 21 -0.828 8.470 -7.525 1.00 1.12 H new ATOM 0 HB3 GLN A 21 -1.310 10.078 -8.029 1.00 1.12 H new ATOM 0 HG2 GLN A 21 1.019 9.772 -8.563 1.00 1.08 H new ATOM 0 HG3 GLN A 21 0.895 10.960 -7.281 1.00 1.08 H new ATOM 0 HE21 GLN A 21 0.533 7.517 -6.630 1.00 1.21 H new ATOM 0 HE22 GLN A 21 2.062 7.387 -5.755 1.00 1.21 H new ATOM 404 N ILE A 30 -3.329 14.550 0.381 1.00 1.02 N ATOM 405 CA ILE A 30 -2.441 13.493 -0.091 1.00 0.84 C ATOM 406 C ILE A 30 -2.043 13.717 -1.548 1.00 0.87 C ATOM 407 O ILE A 30 -2.894 13.943 -2.410 1.00 1.18 O ATOM 408 CB ILE A 30 -3.093 12.100 0.062 1.00 0.87 C ATOM 409 CG1 ILE A 30 -2.120 10.999 -0.377 1.00 0.77 C ATOM 410 CG2 ILE A 30 -4.389 12.021 -0.732 1.00 1.08 C ATOM 411 CD1 ILE A 30 -0.985 10.771 0.599 1.00 0.75 C ATOM 0 HA ILE A 30 -1.545 13.528 0.528 1.00 0.84 H new ATOM 0 HB ILE A 30 -3.331 11.947 1.115 1.00 0.87 H new ATOM 0 HG12 ILE A 30 -2.672 10.068 -0.504 1.00 0.77 H new ATOM 0 HG13 ILE A 30 -1.705 11.259 -1.351 1.00 0.77 H new ATOM 0 HG21 ILE A 30 -4.831 11.032 -0.610 1.00 1.08 H new ATOM 0 HG22 ILE A 30 -5.085 12.777 -0.368 1.00 1.08 H new ATOM 0 HG23 ILE A 30 -4.181 12.198 -1.787 1.00 1.08 H new ATOM 0 HD11 ILE A 30 -0.337 9.979 0.224 1.00 0.75 H new ATOM 0 HD12 ILE A 30 -0.409 11.690 0.709 1.00 0.75 H new ATOM 0 HD13 ILE A 30 -1.391 10.480 1.568 1.00 0.75 H new ATOM 423 N THR A 31 -0.742 13.660 -1.814 1.00 0.88 N ATOM 424 CA THR A 31 -0.224 13.851 -3.163 1.00 0.97 C ATOM 425 C THR A 31 1.058 13.045 -3.364 1.00 0.86 C ATOM 426 O THR A 31 1.347 12.130 -2.592 1.00 0.78 O ATOM 427 CB THR A 31 0.044 15.344 -3.461 1.00 1.07 C ATOM 428 OG1 THR A 31 0.201 15.544 -4.871 1.00 1.72 O ATOM 429 CG2 THR A 31 1.289 15.839 -2.739 1.00 1.06 C ATOM 0 H THR A 31 -0.025 13.482 -1.110 1.00 0.88 H new ATOM 0 HA THR A 31 -0.984 13.496 -3.858 1.00 0.97 H new ATOM 0 HB THR A 31 -0.813 15.913 -3.101 1.00 1.07 H new ATOM 0 HG1 THR A 31 1.064 15.974 -5.046 1.00 1.72 H new ATOM 0 HG21 THR A 31 1.449 16.892 -2.970 1.00 1.06 H new ATOM 0 HG22 THR A 31 1.158 15.719 -1.664 1.00 1.06 H new ATOM 0 HG23 THR A 31 2.153 15.261 -3.066 1.00 1.06 H new ATOM 437 N GLU A 32 1.821 13.379 -4.399 1.00 0.93 N ATOM 438 CA GLU A 32 3.064 12.673 -4.685 1.00 0.95 C ATOM 439 C GLU A 32 4.143 13.022 -3.663 1.00 0.84 C ATOM 440 O GLU A 32 4.798 12.138 -3.112 1.00 0.91 O ATOM 441 CB GLU A 32 3.551 13.007 -6.097 1.00 1.15 C ATOM 442 CG GLU A 32 4.835 12.292 -6.487 1.00 1.47 C ATOM 443 CD GLU A 32 5.308 12.665 -7.879 1.00 1.59 C ATOM 444 OE1 GLU A 32 4.863 12.020 -8.850 1.00 1.56 O ATOM 445 OE2 GLU A 32 6.125 13.603 -7.996 1.00 1.98 O ATOM 0 H GLU A 32 1.602 14.132 -5.052 1.00 0.93 H new ATOM 0 HA GLU A 32 2.866 11.603 -4.620 1.00 0.95 H new ATOM 0 HB2 GLU A 32 2.770 12.748 -6.812 1.00 1.15 H new ATOM 0 HB3 GLU A 32 3.708 14.083 -6.172 1.00 1.15 H new ATOM 0 HG2 GLU A 32 5.615 12.533 -5.765 1.00 1.47 H new ATOM 0 HG3 GLU A 32 4.677 11.215 -6.437 1.00 1.47 H new ATOM 452 N GLU A 33 4.321 14.313 -3.411 1.00 0.80 N ATOM 453 CA GLU A 33 5.324 14.771 -2.456 1.00 0.79 C ATOM 454 C GLU A 33 4.938 14.379 -1.034 1.00 0.64 C ATOM 455 O GLU A 33 5.788 14.317 -0.144 1.00 0.70 O ATOM 456 CB GLU A 33 5.497 16.290 -2.551 1.00 0.97 C ATOM 457 CG GLU A 33 6.185 16.752 -3.827 1.00 1.63 C ATOM 458 CD GLU A 33 5.385 16.432 -5.076 1.00 2.05 C ATOM 459 OE1 GLU A 33 4.501 17.237 -5.439 1.00 2.64 O ATOM 460 OE2 GLU A 33 5.641 15.374 -5.689 1.00 2.36 O ATOM 0 H GLU A 33 3.786 15.060 -3.853 1.00 0.80 H new ATOM 0 HA GLU A 33 6.271 14.290 -2.703 1.00 0.79 H new ATOM 0 HB2 GLU A 33 4.517 16.762 -2.486 1.00 0.97 H new ATOM 0 HB3 GLU A 33 6.074 16.635 -1.693 1.00 0.97 H new ATOM 0 HG2 GLU A 33 6.353 17.828 -3.775 1.00 1.63 H new ATOM 0 HG3 GLU A 33 7.165 16.279 -3.898 1.00 1.63 H new ATOM 467 N LEU A 34 3.652 14.118 -0.827 1.00 0.54 N ATOM 468 CA LEU A 34 3.146 13.734 0.486 1.00 0.49 C ATOM 469 C LEU A 34 3.301 12.239 0.727 1.00 0.43 C ATOM 470 O LEU A 34 3.602 11.814 1.839 1.00 0.46 O ATOM 471 CB LEU A 34 1.676 14.120 0.622 1.00 0.57 C ATOM 472 CG LEU A 34 1.405 15.617 0.759 1.00 0.91 C ATOM 473 CD1 LEU A 34 -0.072 15.897 0.565 1.00 1.75 C ATOM 474 CD2 LEU A 34 1.876 16.126 2.113 1.00 1.48 C ATOM 0 H LEU A 34 2.939 14.166 -1.554 1.00 0.54 H new ATOM 0 HA LEU A 34 3.735 14.267 1.233 1.00 0.49 H new ATOM 0 HB2 LEU A 34 1.137 13.748 -0.250 1.00 0.57 H new ATOM 0 HB3 LEU A 34 1.263 13.611 1.493 1.00 0.57 H new ATOM 0 HG LEU A 34 1.964 16.146 -0.013 1.00 0.91 H new ATOM 0 HD11 LEU A 34 -0.256 16.967 0.664 1.00 1.75 H new ATOM 0 HD12 LEU A 34 -0.378 15.567 -0.428 1.00 1.75 H new ATOM 0 HD13 LEU A 34 -0.646 15.359 1.319 1.00 1.75 H new ATOM 0 HD21 LEU A 34 1.674 17.194 2.190 1.00 1.48 H new ATOM 0 HD22 LEU A 34 1.345 15.598 2.905 1.00 1.48 H new ATOM 0 HD23 LEU A 34 2.947 15.951 2.215 1.00 1.48 H new ATOM 486 N LEU A 35 3.098 11.447 -0.322 1.00 0.45 N ATOM 487 CA LEU A 35 3.197 9.995 -0.228 1.00 0.49 C ATOM 488 C LEU A 35 4.420 9.574 0.587 1.00 0.43 C ATOM 489 O LEU A 35 4.394 8.561 1.287 1.00 0.50 O ATOM 490 CB LEU A 35 3.233 9.390 -1.638 1.00 0.63 C ATOM 491 CG LEU A 35 4.615 8.986 -2.168 1.00 0.64 C ATOM 492 CD1 LEU A 35 4.946 7.558 -1.762 1.00 0.89 C ATOM 493 CD2 LEU A 35 4.670 9.132 -3.680 1.00 1.08 C ATOM 0 H LEU A 35 2.862 11.790 -1.253 1.00 0.45 H new ATOM 0 HA LEU A 35 2.319 9.616 0.295 1.00 0.49 H new ATOM 0 HB2 LEU A 35 2.591 8.509 -1.649 1.00 0.63 H new ATOM 0 HB3 LEU A 35 2.798 10.110 -2.331 1.00 0.63 H new ATOM 0 HG LEU A 35 5.358 9.652 -1.729 1.00 0.64 H new ATOM 0 HD11 LEU A 35 5.930 7.289 -2.147 1.00 0.89 H new ATOM 0 HD12 LEU A 35 4.948 7.480 -0.675 1.00 0.89 H new ATOM 0 HD13 LEU A 35 4.198 6.880 -2.173 1.00 0.89 H new ATOM 0 HD21 LEU A 35 5.658 8.841 -4.038 1.00 1.08 H new ATOM 0 HD22 LEU A 35 3.916 8.490 -4.135 1.00 1.08 H new ATOM 0 HD23 LEU A 35 4.476 10.169 -3.953 1.00 1.08 H new ATOM 505 N ARG A 36 5.487 10.359 0.494 1.00 0.38 N ATOM 506 CA ARG A 36 6.717 10.077 1.227 1.00 0.38 C ATOM 507 C ARG A 36 6.646 10.598 2.664 1.00 0.34 C ATOM 508 O ARG A 36 6.718 9.829 3.622 1.00 0.37 O ATOM 509 CB ARG A 36 7.910 10.706 0.500 1.00 0.46 C ATOM 510 CG ARG A 36 9.081 11.047 1.410 1.00 1.18 C ATOM 511 CD ARG A 36 10.134 11.858 0.680 1.00 1.73 C ATOM 512 NE ARG A 36 11.070 12.501 1.599 1.00 2.64 N ATOM 513 CZ ARG A 36 11.668 13.663 1.351 1.00 3.41 C ATOM 514 NH1 ARG A 36 11.417 14.315 0.222 1.00 3.46 N ATOM 515 NH2 ARG A 36 12.514 14.177 2.232 1.00 4.28 N ATOM 0 H ARG A 36 5.526 11.199 -0.084 1.00 0.38 H new ATOM 0 HA ARG A 36 6.844 8.995 1.270 1.00 0.38 H new ATOM 0 HB2 ARG A 36 8.253 10.020 -0.274 1.00 0.46 H new ATOM 0 HB3 ARG A 36 7.578 11.614 -0.003 1.00 0.46 H new ATOM 0 HG2 ARG A 36 8.721 11.608 2.273 1.00 1.18 H new ATOM 0 HG3 ARG A 36 9.527 10.128 1.791 1.00 1.18 H new ATOM 0 HD2 ARG A 36 10.684 11.208 -0.000 1.00 1.73 H new ATOM 0 HD3 ARG A 36 9.646 12.618 0.070 1.00 1.73 H new ATOM 0 HE ARG A 36 11.277 12.032 2.481 1.00 2.64 H new ATOM 0 HH11 ARG A 36 10.764 13.925 -0.458 1.00 3.46 H new ATOM 0 HH12 ARG A 36 11.877 15.206 0.034 1.00 3.46 H new ATOM 0 HH21 ARG A 36 12.708 13.681 3.102 1.00 4.28 H new ATOM 0 HH22 ARG A 36 12.972 15.068 2.040 1.00 4.28 H new ATOM 529 N SER A 37 6.502 11.913 2.795 1.00 0.36 N ATOM 530 CA SER A 37 6.457 12.572 4.099 1.00 0.40 C ATOM 531 C SER A 37 5.338 12.046 4.999 1.00 0.40 C ATOM 532 O SER A 37 5.392 12.213 6.217 1.00 0.46 O ATOM 533 CB SER A 37 6.297 14.081 3.913 1.00 0.47 C ATOM 534 OG SER A 37 7.387 14.625 3.192 1.00 1.33 O ATOM 0 H SER A 37 6.413 12.551 2.004 1.00 0.36 H new ATOM 0 HA SER A 37 7.400 12.347 4.597 1.00 0.40 H new ATOM 0 HB2 SER A 37 5.367 14.288 3.383 1.00 0.47 H new ATOM 0 HB3 SER A 37 6.224 14.565 4.887 1.00 0.47 H new ATOM 0 HG SER A 37 7.259 15.591 3.085 1.00 1.33 H new ATOM 540 N GLN A 38 4.328 11.415 4.409 1.00 0.36 N ATOM 541 CA GLN A 38 3.201 10.906 5.184 1.00 0.39 C ATOM 542 C GLN A 38 3.598 9.736 6.082 1.00 0.43 C ATOM 543 O GLN A 38 2.998 9.533 7.137 1.00 0.67 O ATOM 544 CB GLN A 38 2.057 10.494 4.257 1.00 0.42 C ATOM 545 CG GLN A 38 1.276 11.673 3.694 1.00 0.74 C ATOM 546 CD GLN A 38 0.728 12.582 4.776 1.00 1.11 C ATOM 547 OE1 GLN A 38 1.387 13.534 5.194 1.00 1.74 O ATOM 548 NE2 GLN A 38 -0.481 12.292 5.238 1.00 1.84 N ATOM 0 H GLN A 38 4.266 11.245 3.405 1.00 0.36 H new ATOM 0 HA GLN A 38 2.866 11.716 5.832 1.00 0.39 H new ATOM 0 HB2 GLN A 38 2.462 9.909 3.431 1.00 0.42 H new ATOM 0 HB3 GLN A 38 1.374 9.844 4.803 1.00 0.42 H new ATOM 0 HG2 GLN A 38 1.923 12.250 3.034 1.00 0.74 H new ATOM 0 HG3 GLN A 38 0.451 11.300 3.086 1.00 0.74 H new ATOM 0 HE21 GLN A 38 -0.992 11.493 4.863 1.00 1.84 H new ATOM 0 HE22 GLN A 38 -0.900 12.868 5.968 1.00 1.84 H new ATOM 557 N LEU A 39 4.602 8.965 5.671 1.00 0.41 N ATOM 558 CA LEU A 39 5.041 7.820 6.467 1.00 0.53 C ATOM 559 C LEU A 39 6.558 7.652 6.447 1.00 0.51 C ATOM 560 O LEU A 39 7.184 7.517 7.498 1.00 0.61 O ATOM 561 CB LEU A 39 4.373 6.535 5.967 1.00 0.69 C ATOM 562 CG LEU A 39 2.859 6.464 6.184 1.00 0.78 C ATOM 563 CD1 LEU A 39 2.119 7.041 4.987 1.00 1.09 C ATOM 564 CD2 LEU A 39 2.426 5.030 6.442 1.00 1.07 C ATOM 0 H LEU A 39 5.121 9.108 4.805 1.00 0.41 H new ATOM 0 HA LEU A 39 4.741 8.013 7.497 1.00 0.53 H new ATOM 0 HB2 LEU A 39 4.577 6.428 4.902 1.00 0.69 H new ATOM 0 HB3 LEU A 39 4.836 5.685 6.467 1.00 0.69 H new ATOM 0 HG LEU A 39 2.608 7.062 7.060 1.00 0.78 H new ATOM 0 HD11 LEU A 39 1.045 6.982 5.160 1.00 1.09 H new ATOM 0 HD12 LEU A 39 2.407 8.083 4.849 1.00 1.09 H new ATOM 0 HD13 LEU A 39 2.374 6.472 4.093 1.00 1.09 H new ATOM 0 HD21 LEU A 39 1.347 4.997 6.594 1.00 1.07 H new ATOM 0 HD22 LEU A 39 2.690 4.410 5.585 1.00 1.07 H new ATOM 0 HD23 LEU A 39 2.929 4.652 7.332 1.00 1.07 H new ATOM 576 N TYR A 40 7.141 7.656 5.255 1.00 0.46 N ATOM 577 CA TYR A 40 8.585 7.488 5.111 1.00 0.48 C ATOM 578 C TYR A 40 9.255 8.775 4.640 1.00 0.42 C ATOM 579 O TYR A 40 9.491 8.951 3.448 1.00 0.46 O ATOM 580 CB TYR A 40 8.897 6.354 4.130 1.00 0.58 C ATOM 581 CG TYR A 40 7.814 6.126 3.097 1.00 0.63 C ATOM 582 CD1 TYR A 40 6.695 5.355 3.392 1.00 0.99 C ATOM 583 CD2 TYR A 40 7.910 6.681 1.828 1.00 0.89 C ATOM 584 CE1 TYR A 40 5.706 5.146 2.453 1.00 1.38 C ATOM 585 CE2 TYR A 40 6.923 6.475 0.883 1.00 1.30 C ATOM 586 CZ TYR A 40 5.824 5.705 1.202 1.00 1.48 C ATOM 587 OH TYR A 40 4.837 5.493 0.267 1.00 1.97 O ATOM 0 H TYR A 40 6.639 7.773 4.375 1.00 0.46 H new ATOM 0 HA TYR A 40 8.984 7.236 6.094 1.00 0.48 H new ATOM 0 HB2 TYR A 40 9.834 6.576 3.618 1.00 0.58 H new ATOM 0 HB3 TYR A 40 9.051 5.432 4.691 1.00 0.58 H new ATOM 0 HD1 TYR A 40 6.598 4.912 4.372 1.00 0.99 H new ATOM 0 HD2 TYR A 40 8.770 7.283 1.575 1.00 0.89 H new ATOM 0 HE1 TYR A 40 4.843 4.546 2.699 1.00 1.38 H new ATOM 0 HE2 TYR A 40 7.012 6.914 -0.100 1.00 1.30 H new ATOM 0 HH TYR A 40 5.152 4.849 -0.401 1.00 1.97 H new ATOM 597 N PRO A 41 9.576 9.691 5.572 1.00 0.47 N ATOM 598 CA PRO A 41 10.227 10.958 5.237 1.00 0.51 C ATOM 599 C PRO A 41 11.728 10.788 5.022 1.00 0.57 C ATOM 600 O PRO A 41 12.453 11.764 4.830 1.00 0.79 O ATOM 601 CB PRO A 41 9.957 11.811 6.473 1.00 0.66 C ATOM 602 CG PRO A 41 9.926 10.831 7.592 1.00 0.75 C ATOM 603 CD PRO A 41 9.328 9.570 7.023 1.00 0.62 C ATOM 0 HA PRO A 41 9.853 11.390 4.309 1.00 0.51 H new ATOM 0 HB2 PRO A 41 10.737 12.558 6.619 1.00 0.66 H new ATOM 0 HB3 PRO A 41 9.013 12.348 6.388 1.00 0.66 H new ATOM 0 HG2 PRO A 41 10.929 10.648 7.978 1.00 0.75 H new ATOM 0 HG3 PRO A 41 9.328 11.206 8.423 1.00 0.75 H new ATOM 0 HD2 PRO A 41 9.801 8.680 7.438 1.00 0.62 H new ATOM 0 HD3 PRO A 41 8.263 9.497 7.243 1.00 0.62 H new ATOM 611 N GLU A 42 12.185 9.539 5.059 1.00 0.48 N ATOM 612 CA GLU A 42 13.599 9.233 4.871 1.00 0.55 C ATOM 613 C GLU A 42 13.915 8.966 3.402 1.00 0.57 C ATOM 614 O GLU A 42 14.928 9.433 2.882 1.00 0.71 O ATOM 615 CB GLU A 42 13.999 8.025 5.720 1.00 0.59 C ATOM 616 CG GLU A 42 13.113 6.809 5.506 1.00 0.58 C ATOM 617 CD GLU A 42 13.583 5.601 6.292 1.00 0.72 C ATOM 618 OE1 GLU A 42 13.453 5.612 7.535 1.00 0.87 O ATOM 619 OE2 GLU A 42 14.084 4.644 5.665 1.00 0.94 O ATOM 0 H GLU A 42 11.595 8.722 5.218 1.00 0.48 H new ATOM 0 HA GLU A 42 14.175 10.101 5.192 1.00 0.55 H new ATOM 0 HB2 GLU A 42 15.031 7.757 5.492 1.00 0.59 H new ATOM 0 HB3 GLU A 42 13.968 8.306 6.773 1.00 0.59 H new ATOM 0 HG2 GLU A 42 12.091 7.053 5.797 1.00 0.58 H new ATOM 0 HG3 GLU A 42 13.092 6.562 4.445 1.00 0.58 H new ATOM 626 N VAL A 43 13.045 8.211 2.735 1.00 0.52 N ATOM 627 CA VAL A 43 13.240 7.890 1.327 1.00 0.60 C ATOM 628 C VAL A 43 12.531 8.911 0.435 1.00 0.51 C ATOM 629 O VAL A 43 11.332 9.145 0.584 1.00 0.52 O ATOM 630 CB VAL A 43 12.728 6.470 0.990 1.00 0.74 C ATOM 631 CG1 VAL A 43 11.218 6.393 1.118 1.00 0.90 C ATOM 632 CG2 VAL A 43 13.161 6.060 -0.409 1.00 0.99 C ATOM 0 H VAL A 43 12.201 7.812 3.147 1.00 0.52 H new ATOM 0 HA VAL A 43 14.313 7.925 1.136 1.00 0.60 H new ATOM 0 HB VAL A 43 13.168 5.777 1.707 1.00 0.74 H new ATOM 0 HG11 VAL A 43 10.883 5.384 0.876 1.00 0.90 H new ATOM 0 HG12 VAL A 43 10.927 6.636 2.140 1.00 0.90 H new ATOM 0 HG13 VAL A 43 10.758 7.103 0.431 1.00 0.90 H new ATOM 0 HG21 VAL A 43 12.790 5.058 -0.626 1.00 0.99 H new ATOM 0 HG22 VAL A 43 12.754 6.763 -1.136 1.00 0.99 H new ATOM 0 HG23 VAL A 43 14.249 6.065 -0.469 1.00 0.99 H new ATOM 642 N PRO A 44 13.263 9.549 -0.496 1.00 0.56 N ATOM 643 CA PRO A 44 12.681 10.540 -1.407 1.00 0.54 C ATOM 644 C PRO A 44 11.467 9.992 -2.152 1.00 0.54 C ATOM 645 O PRO A 44 11.313 8.778 -2.283 1.00 0.60 O ATOM 646 CB PRO A 44 13.819 10.841 -2.383 1.00 0.64 C ATOM 647 CG PRO A 44 15.057 10.524 -1.623 1.00 0.67 C ATOM 648 CD PRO A 44 14.706 9.369 -0.728 1.00 0.76 C ATOM 0 HA PRO A 44 12.318 11.420 -0.876 1.00 0.54 H new ATOM 0 HB2 PRO A 44 13.740 10.233 -3.284 1.00 0.64 H new ATOM 0 HB3 PRO A 44 13.804 11.884 -2.700 1.00 0.64 H new ATOM 0 HG2 PRO A 44 15.873 10.262 -2.297 1.00 0.67 H new ATOM 0 HG3 PRO A 44 15.388 11.383 -1.040 1.00 0.67 H new ATOM 0 HD2 PRO A 44 14.921 8.412 -1.203 1.00 0.76 H new ATOM 0 HD3 PRO A 44 15.270 9.396 0.204 1.00 0.76 H new ATOM 656 N PRO A 45 10.585 10.879 -2.651 1.00 0.56 N ATOM 657 CA PRO A 45 9.381 10.472 -3.383 1.00 0.67 C ATOM 658 C PRO A 45 9.717 9.836 -4.727 1.00 0.77 C ATOM 659 O PRO A 45 8.825 9.446 -5.483 1.00 1.08 O ATOM 660 CB PRO A 45 8.614 11.789 -3.583 1.00 0.72 C ATOM 661 CG PRO A 45 9.242 12.751 -2.631 1.00 0.63 C ATOM 662 CD PRO A 45 10.679 12.343 -2.550 1.00 0.56 C ATOM 0 HA PRO A 45 8.810 9.717 -2.843 1.00 0.67 H new ATOM 0 HB2 PRO A 45 8.696 12.141 -4.611 1.00 0.72 H new ATOM 0 HB3 PRO A 45 7.552 11.663 -3.373 1.00 0.72 H new ATOM 0 HG2 PRO A 45 9.144 13.777 -2.986 1.00 0.63 H new ATOM 0 HG3 PRO A 45 8.764 12.705 -1.652 1.00 0.63 H new ATOM 0 HD2 PRO A 45 11.271 12.771 -3.359 1.00 0.56 H new ATOM 0 HD3 PRO A 45 11.141 12.659 -1.615 1.00 0.56 H new ATOM 670 N GLU A 46 11.012 9.735 -5.017 1.00 0.65 N ATOM 671 CA GLU A 46 11.480 9.145 -6.265 1.00 0.77 C ATOM 672 C GLU A 46 12.280 7.873 -5.999 1.00 0.71 C ATOM 673 O GLU A 46 12.222 6.920 -6.776 1.00 0.81 O ATOM 674 CB GLU A 46 12.340 10.151 -7.034 1.00 0.92 C ATOM 675 CG GLU A 46 12.904 9.602 -8.335 1.00 1.61 C ATOM 676 CD GLU A 46 13.790 10.600 -9.053 1.00 2.17 C ATOM 677 OE1 GLU A 46 13.258 11.391 -9.862 1.00 2.25 O ATOM 678 OE2 GLU A 46 15.014 10.592 -8.808 1.00 3.02 O ATOM 0 H GLU A 46 11.758 10.056 -4.400 1.00 0.65 H new ATOM 0 HA GLU A 46 10.609 8.885 -6.866 1.00 0.77 H new ATOM 0 HB2 GLU A 46 11.742 11.036 -7.252 1.00 0.92 H new ATOM 0 HB3 GLU A 46 13.164 10.473 -6.398 1.00 0.92 H new ATOM 0 HG2 GLU A 46 13.476 8.698 -8.126 1.00 1.61 H new ATOM 0 HG3 GLU A 46 12.082 9.314 -8.990 1.00 1.61 H new ATOM 685 N GLU A 47 13.027 7.865 -4.897 1.00 0.63 N ATOM 686 CA GLU A 47 13.837 6.707 -4.533 1.00 0.66 C ATOM 687 C GLU A 47 12.964 5.569 -4.025 1.00 0.55 C ATOM 688 O GLU A 47 13.454 4.478 -3.733 1.00 0.59 O ATOM 689 CB GLU A 47 14.863 7.081 -3.465 1.00 0.81 C ATOM 690 CG GLU A 47 15.911 8.073 -3.950 1.00 1.25 C ATOM 691 CD GLU A 47 17.138 8.106 -3.060 1.00 1.42 C ATOM 692 OE1 GLU A 47 17.583 7.024 -2.622 1.00 1.62 O ATOM 693 OE2 GLU A 47 17.655 9.212 -2.800 1.00 1.58 O ATOM 0 H GLU A 47 13.088 8.645 -4.243 1.00 0.63 H new ATOM 0 HA GLU A 47 14.360 6.375 -5.430 1.00 0.66 H new ATOM 0 HB2 GLU A 47 14.343 7.505 -2.606 1.00 0.81 H new ATOM 0 HB3 GLU A 47 15.363 6.176 -3.120 1.00 0.81 H new ATOM 0 HG2 GLU A 47 16.210 7.813 -4.965 1.00 1.25 H new ATOM 0 HG3 GLU A 47 15.471 9.069 -3.993 1.00 1.25 H new ATOM 700 N PHE A 48 11.671 5.834 -3.898 1.00 0.48 N ATOM 701 CA PHE A 48 10.730 4.830 -3.427 1.00 0.45 C ATOM 702 C PHE A 48 10.353 3.860 -4.540 1.00 0.41 C ATOM 703 O PHE A 48 9.936 2.736 -4.275 1.00 0.45 O ATOM 704 CB PHE A 48 9.475 5.494 -2.867 1.00 0.54 C ATOM 705 CG PHE A 48 8.701 4.594 -1.953 1.00 1.39 C ATOM 706 CD1 PHE A 48 9.177 4.286 -0.692 1.00 2.39 C ATOM 707 CD2 PHE A 48 7.491 4.064 -2.358 1.00 1.41 C ATOM 708 CE1 PHE A 48 8.454 3.464 0.150 1.00 3.37 C ATOM 709 CE2 PHE A 48 6.765 3.241 -1.525 1.00 2.36 C ATOM 710 CZ PHE A 48 7.290 2.915 -0.256 1.00 3.35 C ATOM 0 H PHE A 48 11.250 6.737 -4.115 1.00 0.48 H new ATOM 0 HA PHE A 48 11.218 4.265 -2.633 1.00 0.45 H new ATOM 0 HB2 PHE A 48 9.758 6.397 -2.326 1.00 0.54 H new ATOM 0 HB3 PHE A 48 8.834 5.804 -3.692 1.00 0.54 H new ATOM 0 HD1 PHE A 48 10.122 4.692 -0.363 1.00 2.39 H new ATOM 0 HD2 PHE A 48 7.109 4.298 -3.341 1.00 1.41 H new ATOM 0 HE1 PHE A 48 8.824 3.258 1.144 1.00 3.37 H new ATOM 0 HE2 PHE A 48 5.808 2.851 -1.839 1.00 2.36 H new ATOM 0 HZ PHE A 48 6.762 2.228 0.388 1.00 3.35 H new ATOM 720 N ARG A 49 10.509 4.304 -5.782 1.00 0.43 N ATOM 721 CA ARG A 49 10.166 3.490 -6.945 1.00 0.47 C ATOM 722 C ARG A 49 10.881 2.133 -6.937 1.00 0.49 C ATOM 723 O ARG A 49 10.233 1.099 -7.096 1.00 0.52 O ATOM 724 CB ARG A 49 10.491 4.245 -8.238 1.00 0.58 C ATOM 725 CG ARG A 49 9.908 3.595 -9.484 1.00 1.06 C ATOM 726 CD ARG A 49 8.400 3.776 -9.555 1.00 1.14 C ATOM 727 NE ARG A 49 8.026 5.180 -9.702 1.00 1.80 N ATOM 728 CZ ARG A 49 6.849 5.589 -10.171 1.00 2.30 C ATOM 729 NH1 ARG A 49 5.931 4.702 -10.536 1.00 2.42 N ATOM 730 NH2 ARG A 49 6.589 6.884 -10.275 1.00 3.07 N ATOM 0 H ARG A 49 10.873 5.229 -6.011 1.00 0.43 H new ATOM 0 HA ARG A 49 9.095 3.296 -6.895 1.00 0.47 H new ATOM 0 HB2 ARG A 49 10.113 5.264 -8.159 1.00 0.58 H new ATOM 0 HB3 ARG A 49 11.573 4.314 -8.347 1.00 0.58 H new ATOM 0 HG2 ARG A 49 10.369 4.029 -10.371 1.00 1.06 H new ATOM 0 HG3 ARG A 49 10.148 2.532 -9.487 1.00 1.06 H new ATOM 0 HD2 ARG A 49 8.005 3.205 -10.396 1.00 1.14 H new ATOM 0 HD3 ARG A 49 7.943 3.371 -8.652 1.00 1.14 H new ATOM 0 HE ARG A 49 8.707 5.889 -9.429 1.00 1.80 H new ATOM 0 HH11 ARG A 49 6.126 3.704 -10.457 1.00 2.42 H new ATOM 0 HH12 ARG A 49 5.030 5.019 -10.895 1.00 2.42 H new ATOM 0 HH21 ARG A 49 7.291 7.569 -9.996 1.00 3.07 H new ATOM 0 HH22 ARG A 49 5.687 7.196 -10.635 1.00 3.07 H new ATOM 744 N PRO A 50 12.221 2.104 -6.759 1.00 0.52 N ATOM 745 CA PRO A 50 12.981 0.848 -6.750 1.00 0.59 C ATOM 746 C PRO A 50 12.430 -0.170 -5.756 1.00 0.58 C ATOM 747 O PRO A 50 12.392 -1.366 -6.046 1.00 0.68 O ATOM 748 CB PRO A 50 14.404 1.267 -6.356 1.00 0.63 C ATOM 749 CG PRO A 50 14.287 2.666 -5.856 1.00 0.58 C ATOM 750 CD PRO A 50 13.102 3.265 -6.556 1.00 0.54 C ATOM 0 HA PRO A 50 12.929 0.352 -7.719 1.00 0.59 H new ATOM 0 HB2 PRO A 50 14.807 0.608 -5.587 1.00 0.63 H new ATOM 0 HB3 PRO A 50 15.079 1.211 -7.210 1.00 0.63 H new ATOM 0 HG2 PRO A 50 14.149 2.682 -4.775 1.00 0.58 H new ATOM 0 HG3 PRO A 50 15.193 3.233 -6.071 1.00 0.58 H new ATOM 0 HD2 PRO A 50 12.623 4.036 -5.952 1.00 0.54 H new ATOM 0 HD3 PRO A 50 13.383 3.730 -7.501 1.00 0.54 H new ATOM 758 N PHE A 51 12.007 0.298 -4.585 1.00 0.49 N ATOM 759 CA PHE A 51 11.465 -0.601 -3.571 1.00 0.51 C ATOM 760 C PHE A 51 9.966 -0.796 -3.757 1.00 0.45 C ATOM 761 O PHE A 51 9.391 -1.777 -3.285 1.00 0.52 O ATOM 762 CB PHE A 51 11.752 -0.067 -2.168 1.00 0.60 C ATOM 763 CG PHE A 51 12.263 -1.119 -1.229 1.00 0.99 C ATOM 764 CD1 PHE A 51 11.525 -2.268 -0.988 1.00 1.29 C ATOM 765 CD2 PHE A 51 13.482 -0.964 -0.593 1.00 1.44 C ATOM 766 CE1 PHE A 51 11.996 -3.241 -0.129 1.00 1.88 C ATOM 767 CE2 PHE A 51 13.958 -1.933 0.268 1.00 2.02 C ATOM 768 CZ PHE A 51 13.214 -3.075 0.499 1.00 2.20 C ATOM 0 H PHE A 51 12.028 1.282 -4.317 1.00 0.49 H new ATOM 0 HA PHE A 51 11.956 -1.567 -3.688 1.00 0.51 H new ATOM 0 HB2 PHE A 51 12.484 0.738 -2.235 1.00 0.60 H new ATOM 0 HB3 PHE A 51 10.840 0.366 -1.757 1.00 0.60 H new ATOM 0 HD1 PHE A 51 10.572 -2.403 -1.477 1.00 1.29 H new ATOM 0 HD2 PHE A 51 14.068 -0.075 -0.772 1.00 1.44 H new ATOM 0 HE1 PHE A 51 11.412 -4.131 0.051 1.00 1.88 H new ATOM 0 HE2 PHE A 51 14.910 -1.799 0.760 1.00 2.02 H new ATOM 0 HZ PHE A 51 13.585 -3.836 1.170 1.00 2.20 H new ATOM 778 N LEU A 52 9.340 0.144 -4.449 1.00 0.40 N ATOM 779 CA LEU A 52 7.911 0.093 -4.704 1.00 0.43 C ATOM 780 C LEU A 52 7.598 -0.831 -5.868 1.00 0.44 C ATOM 781 O LEU A 52 6.485 -1.325 -5.984 1.00 0.50 O ATOM 782 CB LEU A 52 7.380 1.491 -5.004 1.00 0.55 C ATOM 783 CG LEU A 52 5.868 1.582 -5.209 1.00 0.56 C ATOM 784 CD1 LEU A 52 5.128 1.115 -3.967 1.00 1.33 C ATOM 785 CD2 LEU A 52 5.469 3.002 -5.565 1.00 1.15 C ATOM 0 H LEU A 52 9.807 0.959 -4.847 1.00 0.40 H new ATOM 0 HA LEU A 52 7.423 -0.297 -3.810 1.00 0.43 H new ATOM 0 HB2 LEU A 52 7.660 2.152 -4.184 1.00 0.55 H new ATOM 0 HB3 LEU A 52 7.875 1.866 -5.900 1.00 0.55 H new ATOM 0 HG LEU A 52 5.592 0.926 -6.035 1.00 0.56 H new ATOM 0 HD11 LEU A 52 4.053 1.188 -4.135 1.00 1.33 H new ATOM 0 HD12 LEU A 52 5.392 0.079 -3.754 1.00 1.33 H new ATOM 0 HD13 LEU A 52 5.407 1.742 -3.120 1.00 1.33 H new ATOM 0 HD21 LEU A 52 4.390 3.052 -5.708 1.00 1.15 H new ATOM 0 HD22 LEU A 52 5.759 3.675 -4.758 1.00 1.15 H new ATOM 0 HD23 LEU A 52 5.971 3.301 -6.485 1.00 1.15 H new ATOM 797 N ALA A 53 8.578 -1.050 -6.734 1.00 0.48 N ATOM 798 CA ALA A 53 8.391 -1.926 -7.886 1.00 0.59 C ATOM 799 C ALA A 53 7.754 -3.243 -7.454 1.00 0.60 C ATOM 800 O ALA A 53 6.987 -3.853 -8.199 1.00 0.76 O ATOM 801 CB ALA A 53 9.719 -2.176 -8.586 1.00 0.67 C ATOM 0 H ALA A 53 9.507 -0.636 -6.663 1.00 0.48 H new ATOM 0 HA ALA A 53 7.720 -1.434 -8.591 1.00 0.59 H new ATOM 0 HB1 ALA A 53 9.561 -2.831 -9.443 1.00 0.67 H new ATOM 0 HB2 ALA A 53 10.135 -1.228 -8.926 1.00 0.67 H new ATOM 0 HB3 ALA A 53 10.413 -2.648 -7.891 1.00 0.67 H new ATOM 807 N LYS A 54 8.087 -3.667 -6.240 1.00 0.51 N ATOM 808 CA LYS A 54 7.554 -4.892 -5.669 1.00 0.55 C ATOM 809 C LYS A 54 6.290 -4.591 -4.869 1.00 0.48 C ATOM 810 O LYS A 54 5.434 -5.455 -4.675 1.00 0.57 O ATOM 811 CB LYS A 54 8.608 -5.524 -4.762 1.00 0.62 C ATOM 812 CG LYS A 54 8.352 -6.981 -4.450 1.00 0.76 C ATOM 813 CD LYS A 54 9.554 -7.622 -3.772 1.00 0.94 C ATOM 814 CE LYS A 54 9.838 -6.995 -2.415 1.00 1.21 C ATOM 815 NZ LYS A 54 11.054 -7.573 -1.779 1.00 1.84 N ATOM 0 H LYS A 54 8.733 -3.170 -5.627 1.00 0.51 H new ATOM 0 HA LYS A 54 7.301 -5.585 -6.471 1.00 0.55 H new ATOM 0 HB2 LYS A 54 9.585 -5.430 -5.236 1.00 0.62 H new ATOM 0 HB3 LYS A 54 8.652 -4.965 -3.828 1.00 0.62 H new ATOM 0 HG2 LYS A 54 7.478 -7.068 -3.804 1.00 0.76 H new ATOM 0 HG3 LYS A 54 8.123 -7.517 -5.371 1.00 0.76 H new ATOM 0 HD2 LYS A 54 9.375 -8.690 -3.649 1.00 0.94 H new ATOM 0 HD3 LYS A 54 10.431 -7.517 -4.411 1.00 0.94 H new ATOM 0 HE2 LYS A 54 9.966 -5.919 -2.532 1.00 1.21 H new ATOM 0 HE3 LYS A 54 8.980 -7.144 -1.760 1.00 1.21 H new ATOM 0 HZ1 LYS A 54 11.203 -7.131 -0.849 1.00 1.84 H new ATOM 0 HZ2 LYS A 54 10.929 -8.598 -1.659 1.00 1.84 H new ATOM 0 HZ3 LYS A 54 11.881 -7.394 -2.384 1.00 1.84 H new ATOM 829 N MET A 55 6.192 -3.348 -4.411 1.00 0.38 N ATOM 830 CA MET A 55 5.054 -2.883 -3.625 1.00 0.34 C ATOM 831 C MET A 55 4.113 -2.025 -4.473 1.00 0.33 C ATOM 832 O MET A 55 3.296 -1.273 -3.941 1.00 0.35 O ATOM 833 CB MET A 55 5.564 -2.071 -2.431 1.00 0.33 C ATOM 834 CG MET A 55 5.844 -2.911 -1.187 1.00 0.42 C ATOM 835 SD MET A 55 4.503 -2.827 0.019 1.00 1.95 S ATOM 836 CE MET A 55 3.100 -3.321 -0.977 1.00 2.78 C ATOM 0 H MET A 55 6.901 -2.633 -4.574 1.00 0.38 H new ATOM 0 HA MET A 55 4.495 -3.750 -3.273 1.00 0.34 H new ATOM 0 HB2 MET A 55 6.478 -1.552 -2.721 1.00 0.33 H new ATOM 0 HB3 MET A 55 4.828 -1.306 -2.183 1.00 0.33 H new ATOM 0 HG2 MET A 55 6.000 -3.949 -1.481 1.00 0.42 H new ATOM 0 HG3 MET A 55 6.769 -2.569 -0.722 1.00 0.42 H new ATOM 0 HE1 MET A 55 2.216 -3.401 -0.345 1.00 2.78 H new ATOM 0 HE2 MET A 55 2.925 -2.576 -1.753 1.00 2.78 H new ATOM 0 HE3 MET A 55 3.304 -4.286 -1.440 1.00 2.78 H new ATOM 846 N ARG A 56 4.225 -2.153 -5.794 1.00 0.37 N ATOM 847 CA ARG A 56 3.399 -1.377 -6.717 1.00 0.42 C ATOM 848 C ARG A 56 2.233 -2.202 -7.242 1.00 0.41 C ATOM 849 O ARG A 56 1.237 -1.652 -7.715 1.00 0.43 O ATOM 850 CB ARG A 56 4.241 -0.878 -7.893 1.00 0.54 C ATOM 851 CG ARG A 56 4.000 0.580 -8.238 1.00 1.09 C ATOM 852 CD ARG A 56 4.795 1.000 -9.463 1.00 1.35 C ATOM 853 NE ARG A 56 4.397 0.255 -10.654 1.00 1.81 N ATOM 854 CZ ARG A 56 4.997 0.373 -11.836 1.00 2.37 C ATOM 855 NH1 ARG A 56 6.017 1.207 -11.985 1.00 2.58 N ATOM 856 NH2 ARG A 56 4.576 -0.343 -12.870 1.00 3.05 N ATOM 0 H ARG A 56 4.881 -2.788 -6.250 1.00 0.37 H new ATOM 0 HA ARG A 56 3.000 -0.525 -6.167 1.00 0.42 H new ATOM 0 HB2 ARG A 56 5.296 -1.017 -7.658 1.00 0.54 H new ATOM 0 HB3 ARG A 56 4.026 -1.490 -8.769 1.00 0.54 H new ATOM 0 HG2 ARG A 56 2.937 0.741 -8.419 1.00 1.09 H new ATOM 0 HG3 ARG A 56 4.277 1.206 -7.390 1.00 1.09 H new ATOM 0 HD2 ARG A 56 4.654 2.067 -9.638 1.00 1.35 H new ATOM 0 HD3 ARG A 56 5.858 0.845 -9.276 1.00 1.35 H new ATOM 0 HE ARG A 56 3.614 -0.394 -10.576 1.00 1.81 H new ATOM 0 HH11 ARG A 56 6.344 1.760 -11.193 1.00 2.58 H new ATOM 0 HH12 ARG A 56 6.475 1.296 -12.892 1.00 2.58 H new ATOM 0 HH21 ARG A 56 3.791 -0.985 -12.760 1.00 3.05 H new ATOM 0 HH22 ARG A 56 5.037 -0.251 -13.775 1.00 3.05 H new ATOM 870 N GLY A 57 2.358 -3.522 -7.156 1.00 0.43 N ATOM 871 CA GLY A 57 1.302 -4.398 -7.628 1.00 0.45 C ATOM 872 C GLY A 57 0.058 -4.323 -6.765 1.00 0.39 C ATOM 873 O GLY A 57 -0.840 -5.153 -6.887 1.00 0.48 O ATOM 0 H GLY A 57 3.171 -4.001 -6.768 1.00 0.43 H new ATOM 0 HA2 GLY A 57 1.045 -4.133 -8.654 1.00 0.45 H new ATOM 0 HA3 GLY A 57 1.667 -5.425 -7.646 1.00 0.45 H new ATOM 877 N ILE A 58 0.005 -3.324 -5.888 1.00 0.41 N ATOM 878 CA ILE A 58 -1.134 -3.147 -5.000 1.00 0.39 C ATOM 879 C ILE A 58 -1.822 -1.806 -5.241 1.00 0.40 C ATOM 880 O ILE A 58 -3.046 -1.735 -5.343 1.00 0.47 O ATOM 881 CB ILE A 58 -0.716 -3.218 -3.517 1.00 0.42 C ATOM 882 CG1 ILE A 58 -0.064 -4.564 -3.181 1.00 0.53 C ATOM 883 CG2 ILE A 58 -1.925 -2.984 -2.632 1.00 0.43 C ATOM 884 CD1 ILE A 58 1.361 -4.699 -3.677 1.00 0.71 C ATOM 0 H ILE A 58 0.740 -2.626 -5.775 1.00 0.41 H new ATOM 0 HA ILE A 58 -1.824 -3.961 -5.221 1.00 0.39 H new ATOM 0 HB ILE A 58 0.024 -2.438 -3.334 1.00 0.42 H new ATOM 0 HG12 ILE A 58 -0.076 -4.702 -2.100 1.00 0.53 H new ATOM 0 HG13 ILE A 58 -0.665 -5.365 -3.612 1.00 0.53 H new ATOM 0 HG21 ILE A 58 -1.625 -3.035 -1.585 1.00 0.43 H new ATOM 0 HG22 ILE A 58 -2.344 -2.000 -2.842 1.00 0.43 H new ATOM 0 HG23 ILE A 58 -2.676 -3.749 -2.832 1.00 0.43 H new ATOM 0 HD11 ILE A 58 1.751 -5.678 -3.400 1.00 0.71 H new ATOM 0 HD12 ILE A 58 1.380 -4.594 -4.762 1.00 0.71 H new ATOM 0 HD13 ILE A 58 1.978 -3.922 -3.227 1.00 0.71 H new ATOM 896 N LEU A 59 -1.024 -0.745 -5.325 1.00 0.44 N ATOM 897 CA LEU A 59 -1.552 0.599 -5.535 1.00 0.49 C ATOM 898 C LEU A 59 -2.421 0.667 -6.789 1.00 0.52 C ATOM 899 O LEU A 59 -3.477 1.302 -6.784 1.00 0.56 O ATOM 900 CB LEU A 59 -0.401 1.612 -5.615 1.00 0.58 C ATOM 901 CG LEU A 59 -0.808 3.093 -5.694 1.00 0.88 C ATOM 902 CD1 LEU A 59 -1.144 3.490 -7.124 1.00 1.39 C ATOM 903 CD2 LEU A 59 -1.983 3.387 -4.767 1.00 1.71 C ATOM 0 H LEU A 59 -0.008 -0.791 -5.251 1.00 0.44 H new ATOM 0 HA LEU A 59 -2.185 0.852 -4.684 1.00 0.49 H new ATOM 0 HB2 LEU A 59 0.236 1.477 -4.741 1.00 0.58 H new ATOM 0 HB3 LEU A 59 0.204 1.375 -6.490 1.00 0.58 H new ATOM 0 HG LEU A 59 0.043 3.690 -5.365 1.00 0.88 H new ATOM 0 HD11 LEU A 59 -1.429 4.542 -7.152 1.00 1.39 H new ATOM 0 HD12 LEU A 59 -0.273 3.333 -7.760 1.00 1.39 H new ATOM 0 HD13 LEU A 59 -1.972 2.880 -7.486 1.00 1.39 H new ATOM 0 HD21 LEU A 59 -2.251 4.441 -4.842 1.00 1.71 H new ATOM 0 HD22 LEU A 59 -2.837 2.774 -5.056 1.00 1.71 H new ATOM 0 HD23 LEU A 59 -1.702 3.156 -3.739 1.00 1.71 H new ATOM 915 N LYS A 60 -1.980 0.015 -7.860 1.00 0.59 N ATOM 916 CA LYS A 60 -2.734 0.016 -9.109 1.00 0.68 C ATOM 917 C LYS A 60 -3.937 -0.920 -9.012 1.00 0.65 C ATOM 918 O LYS A 60 -4.869 -0.837 -9.810 1.00 0.74 O ATOM 919 CB LYS A 60 -1.825 -0.373 -10.288 1.00 0.80 C ATOM 920 CG LYS A 60 -2.065 -1.772 -10.847 1.00 0.92 C ATOM 921 CD LYS A 60 -1.557 -2.854 -9.909 1.00 1.07 C ATOM 922 CE LYS A 60 -1.791 -4.241 -10.484 1.00 1.10 C ATOM 923 NZ LYS A 60 -1.255 -5.308 -9.595 1.00 1.60 N ATOM 0 H LYS A 60 -1.110 -0.517 -7.889 1.00 0.59 H new ATOM 0 HA LYS A 60 -3.106 1.025 -9.288 1.00 0.68 H new ATOM 0 HB2 LYS A 60 -1.964 0.352 -11.090 1.00 0.80 H new ATOM 0 HB3 LYS A 60 -0.786 -0.299 -9.967 1.00 0.80 H new ATOM 0 HG2 LYS A 60 -3.131 -1.915 -11.022 1.00 0.92 H new ATOM 0 HG3 LYS A 60 -1.568 -1.867 -11.813 1.00 0.92 H new ATOM 0 HD2 LYS A 60 -0.492 -2.709 -9.727 1.00 1.07 H new ATOM 0 HD3 LYS A 60 -2.060 -2.768 -8.946 1.00 1.07 H new ATOM 0 HE2 LYS A 60 -2.859 -4.396 -10.634 1.00 1.10 H new ATOM 0 HE3 LYS A 60 -1.318 -4.313 -11.463 1.00 1.10 H new ATOM 0 HZ1 LYS A 60 -1.647 -6.228 -9.881 1.00 1.60 H new ATOM 0 HZ2 LYS A 60 -0.218 -5.335 -9.671 1.00 1.60 H new ATOM 0 HZ3 LYS A 60 -1.525 -5.108 -8.611 1.00 1.60 H new ATOM 937 N SER A 61 -3.902 -1.812 -8.028 1.00 0.55 N ATOM 938 CA SER A 61 -4.980 -2.771 -7.819 1.00 0.55 C ATOM 939 C SER A 61 -6.196 -2.104 -7.183 1.00 0.57 C ATOM 940 O SER A 61 -7.335 -2.359 -7.576 1.00 0.71 O ATOM 941 CB SER A 61 -4.497 -3.915 -6.924 1.00 0.51 C ATOM 942 OG SER A 61 -3.416 -4.609 -7.522 1.00 1.20 O ATOM 0 H SER A 61 -3.135 -1.891 -7.360 1.00 0.55 H new ATOM 0 HA SER A 61 -5.273 -3.165 -8.792 1.00 0.55 H new ATOM 0 HB2 SER A 61 -4.188 -3.519 -5.957 1.00 0.51 H new ATOM 0 HB3 SER A 61 -5.319 -4.607 -6.737 1.00 0.51 H new ATOM 0 HG SER A 61 -3.366 -5.516 -7.154 1.00 1.20 H new ATOM 948 N ILE A 62 -5.943 -1.251 -6.200 1.00 0.50 N ATOM 949 CA ILE A 62 -7.009 -0.555 -5.488 1.00 0.56 C ATOM 950 C ILE A 62 -7.473 0.699 -6.229 1.00 0.64 C ATOM 951 O ILE A 62 -8.632 1.097 -6.123 1.00 0.70 O ATOM 952 CB ILE A 62 -6.549 -0.158 -4.071 1.00 0.55 C ATOM 953 CG1 ILE A 62 -6.049 -1.389 -3.314 1.00 0.54 C ATOM 954 CG2 ILE A 62 -7.682 0.517 -3.310 1.00 0.65 C ATOM 955 CD1 ILE A 62 -5.284 -1.058 -2.052 1.00 0.79 C ATOM 0 H ILE A 62 -5.004 -1.023 -5.875 1.00 0.50 H new ATOM 0 HA ILE A 62 -7.847 -1.249 -5.426 1.00 0.56 H new ATOM 0 HB ILE A 62 -5.727 0.553 -4.158 1.00 0.55 H new ATOM 0 HG12 ILE A 62 -6.902 -2.018 -3.057 1.00 0.54 H new ATOM 0 HG13 ILE A 62 -5.408 -1.975 -3.973 1.00 0.54 H new ATOM 0 HG21 ILE A 62 -7.338 0.790 -2.312 1.00 0.65 H new ATOM 0 HG22 ILE A 62 -7.995 1.414 -3.844 1.00 0.65 H new ATOM 0 HG23 ILE A 62 -8.525 -0.169 -3.228 1.00 0.65 H new ATOM 0 HD11 ILE A 62 -4.961 -1.981 -1.570 1.00 0.79 H new ATOM 0 HD12 ILE A 62 -4.411 -0.455 -2.303 1.00 0.79 H new ATOM 0 HD13 ILE A 62 -5.927 -0.499 -1.373 1.00 0.79 H new ATOM 967 N ALA A 63 -6.567 1.322 -6.971 1.00 0.68 N ATOM 968 CA ALA A 63 -6.895 2.542 -7.703 1.00 0.79 C ATOM 969 C ALA A 63 -7.554 2.255 -9.051 1.00 0.84 C ATOM 970 O ALA A 63 -8.684 2.676 -9.300 1.00 0.90 O ATOM 971 CB ALA A 63 -5.643 3.384 -7.897 1.00 0.88 C ATOM 0 H ALA A 63 -5.604 1.006 -7.083 1.00 0.68 H new ATOM 0 HA ALA A 63 -7.620 3.095 -7.105 1.00 0.79 H new ATOM 0 HB1 ALA A 63 -5.896 4.292 -8.444 1.00 0.88 H new ATOM 0 HB2 ALA A 63 -5.229 3.650 -6.924 1.00 0.88 H new ATOM 0 HB3 ALA A 63 -4.905 2.814 -8.462 1.00 0.88 H new ATOM 977 N SER A 64 -6.844 1.538 -9.915 1.00 0.88 N ATOM 978 CA SER A 64 -7.345 1.223 -11.253 1.00 1.00 C ATOM 979 C SER A 64 -8.546 0.280 -11.230 1.00 0.96 C ATOM 980 O SER A 64 -9.468 0.430 -12.032 1.00 1.11 O ATOM 981 CB SER A 64 -6.231 0.608 -12.100 1.00 1.13 C ATOM 982 OG SER A 64 -5.101 1.463 -12.158 1.00 1.56 O ATOM 0 H SER A 64 -5.917 1.162 -9.715 1.00 0.88 H new ATOM 0 HA SER A 64 -7.678 2.164 -11.692 1.00 1.00 H new ATOM 0 HB2 SER A 64 -5.941 -0.355 -11.680 1.00 1.13 H new ATOM 0 HB3 SER A 64 -6.599 0.418 -13.108 1.00 1.13 H new ATOM 0 HG SER A 64 -4.403 1.045 -12.704 1.00 1.56 H new ATOM 988 N ALA A 65 -8.541 -0.689 -10.319 1.00 0.84 N ATOM 989 CA ALA A 65 -9.634 -1.654 -10.244 1.00 0.84 C ATOM 990 C ALA A 65 -10.598 -1.363 -9.097 1.00 0.75 C ATOM 991 O ALA A 65 -11.810 -1.517 -9.251 1.00 0.82 O ATOM 992 CB ALA A 65 -9.079 -3.064 -10.115 1.00 0.83 C ATOM 0 H ALA A 65 -7.802 -0.827 -9.630 1.00 0.84 H new ATOM 0 HA ALA A 65 -10.202 -1.565 -11.170 1.00 0.84 H new ATOM 0 HB1 ALA A 65 -9.903 -3.776 -10.060 1.00 0.83 H new ATOM 0 HB2 ALA A 65 -8.460 -3.292 -10.983 1.00 0.83 H new ATOM 0 HB3 ALA A 65 -8.476 -3.136 -9.210 1.00 0.83 H new ATOM 998 N ASP A 66 -10.065 -0.937 -7.956 1.00 0.65 N ATOM 999 CA ASP A 66 -10.895 -0.645 -6.789 1.00 0.65 C ATOM 1000 C ASP A 66 -11.761 -1.853 -6.437 1.00 0.66 C ATOM 1001 O ASP A 66 -12.896 -1.975 -6.900 1.00 1.01 O ATOM 1002 CB ASP A 66 -11.776 0.580 -7.049 1.00 0.75 C ATOM 1003 CG ASP A 66 -12.694 0.891 -5.882 1.00 1.05 C ATOM 1004 OD1 ASP A 66 -12.254 1.597 -4.952 1.00 1.08 O ATOM 1005 OD2 ASP A 66 -13.855 0.430 -5.901 1.00 1.53 O ATOM 0 H ASP A 66 -9.066 -0.786 -7.813 1.00 0.65 H new ATOM 0 HA ASP A 66 -10.239 -0.427 -5.946 1.00 0.65 H new ATOM 0 HB2 ASP A 66 -11.142 1.444 -7.249 1.00 0.75 H new ATOM 0 HB3 ASP A 66 -12.375 0.410 -7.944 1.00 0.75 H new ATOM 1010 N MET A 67 -11.212 -2.744 -5.619 1.00 0.55 N ATOM 1011 CA MET A 67 -11.919 -3.954 -5.213 1.00 0.55 C ATOM 1012 C MET A 67 -12.661 -3.749 -3.895 1.00 0.65 C ATOM 1013 O MET A 67 -12.781 -2.627 -3.404 1.00 0.81 O ATOM 1014 CB MET A 67 -10.928 -5.110 -5.076 1.00 0.49 C ATOM 1015 CG MET A 67 -10.082 -5.337 -6.318 1.00 0.49 C ATOM 1016 SD MET A 67 -11.022 -6.041 -7.686 1.00 1.00 S ATOM 1017 CE MET A 67 -9.709 -6.378 -8.858 1.00 1.52 C ATOM 0 H MET A 67 -10.277 -2.651 -5.223 1.00 0.55 H new ATOM 0 HA MET A 67 -12.655 -4.190 -5.981 1.00 0.55 H new ATOM 0 HB2 MET A 67 -10.270 -4.915 -4.229 1.00 0.49 H new ATOM 0 HB3 MET A 67 -11.477 -6.024 -4.849 1.00 0.49 H new ATOM 0 HG2 MET A 67 -9.646 -4.389 -6.633 1.00 0.49 H new ATOM 0 HG3 MET A 67 -9.255 -6.002 -6.072 1.00 0.49 H new ATOM 0 HE1 MET A 67 -10.117 -6.387 -9.869 1.00 1.52 H new ATOM 0 HE2 MET A 67 -8.945 -5.604 -8.781 1.00 1.52 H new ATOM 0 HE3 MET A 67 -9.265 -7.349 -8.638 1.00 1.52 H new ATOM 1027 N ASP A 68 -13.160 -4.848 -3.332 1.00 0.64 N ATOM 1028 CA ASP A 68 -13.892 -4.803 -2.070 1.00 0.77 C ATOM 1029 C ASP A 68 -12.999 -5.217 -0.904 1.00 0.67 C ATOM 1030 O ASP A 68 -12.473 -4.368 -0.183 1.00 1.22 O ATOM 1031 CB ASP A 68 -15.120 -5.714 -2.138 1.00 1.02 C ATOM 1032 CG ASP A 68 -16.113 -5.267 -3.193 1.00 1.55 C ATOM 1033 OD1 ASP A 68 -15.823 -5.447 -4.394 1.00 1.92 O ATOM 1034 OD2 ASP A 68 -17.182 -4.740 -2.817 1.00 1.91 O ATOM 0 H ASP A 68 -13.070 -5.782 -3.732 1.00 0.64 H new ATOM 0 HA ASP A 68 -14.217 -3.776 -1.904 1.00 0.77 H new ATOM 0 HB2 ASP A 68 -14.801 -6.734 -2.352 1.00 1.02 H new ATOM 0 HB3 ASP A 68 -15.611 -5.731 -1.165 1.00 1.02 H new ATOM 1039 N PHE A 69 -12.830 -6.525 -0.724 1.00 0.74 N ATOM 1040 CA PHE A 69 -12.000 -7.048 0.356 1.00 0.83 C ATOM 1041 C PHE A 69 -11.716 -8.533 0.156 1.00 0.99 C ATOM 1042 O PHE A 69 -10.637 -9.020 0.495 1.00 1.85 O ATOM 1043 CB PHE A 69 -12.678 -6.823 1.711 1.00 1.00 C ATOM 1044 CG PHE A 69 -13.968 -7.577 1.880 1.00 1.45 C ATOM 1045 CD1 PHE A 69 -15.166 -7.036 1.444 1.00 2.08 C ATOM 1046 CD2 PHE A 69 -13.983 -8.829 2.478 1.00 1.82 C ATOM 1047 CE1 PHE A 69 -16.354 -7.726 1.600 1.00 2.91 C ATOM 1048 CE2 PHE A 69 -15.166 -9.524 2.636 1.00 2.52 C ATOM 1049 CZ PHE A 69 -16.354 -8.971 2.197 1.00 3.05 C ATOM 0 H PHE A 69 -13.257 -7.241 -1.312 1.00 0.74 H new ATOM 0 HA PHE A 69 -11.052 -6.510 0.341 1.00 0.83 H new ATOM 0 HB2 PHE A 69 -11.990 -7.117 2.504 1.00 1.00 H new ATOM 0 HB3 PHE A 69 -12.872 -5.758 1.837 1.00 1.00 H new ATOM 0 HD1 PHE A 69 -15.172 -6.063 0.976 1.00 2.08 H new ATOM 0 HD2 PHE A 69 -13.058 -9.266 2.824 1.00 1.82 H new ATOM 0 HE1 PHE A 69 -17.281 -7.292 1.255 1.00 2.91 H new ATOM 0 HE2 PHE A 69 -15.163 -10.498 3.102 1.00 2.52 H new ATOM 0 HZ PHE A 69 -17.281 -9.512 2.321 1.00 3.05 H new ATOM 1059 N ASN A 70 -12.693 -9.246 -0.394 1.00 0.86 N ATOM 1060 CA ASN A 70 -12.553 -10.676 -0.637 1.00 0.89 C ATOM 1061 C ASN A 70 -11.640 -10.937 -1.829 1.00 0.83 C ATOM 1062 O ASN A 70 -10.895 -11.917 -1.851 1.00 1.09 O ATOM 1063 CB ASN A 70 -13.925 -11.308 -0.881 1.00 1.03 C ATOM 1064 CG ASN A 70 -13.852 -12.816 -1.030 1.00 1.77 C ATOM 1065 OD1 ASN A 70 -12.901 -13.435 -0.342 1.00 2.50 O flip ATOM 1066 ND2 ASN A 70 -14.646 -13.417 -1.754 1.00 2.40 N flip ATOM 0 H ASN A 70 -13.591 -8.856 -0.680 1.00 0.86 H new ATOM 0 HA ASN A 70 -12.104 -11.129 0.247 1.00 0.89 H new ATOM 0 HB2 ASN A 70 -14.588 -11.060 -0.052 1.00 1.03 H new ATOM 0 HB3 ASN A 70 -14.365 -10.878 -1.781 1.00 1.03 H new ATOM 0 HD21 ASN A 70 -15.362 -12.900 -2.265 1.00 2.40 H new ATOM 0 HD22 ASN A 70 -14.588 -14.431 -1.843 1.00 2.40 H new ATOM 1073 N GLN A 71 -11.705 -10.053 -2.820 1.00 0.69 N ATOM 1074 CA GLN A 71 -10.881 -10.184 -4.017 1.00 0.68 C ATOM 1075 C GLN A 71 -9.417 -9.900 -3.694 1.00 0.58 C ATOM 1076 O GLN A 71 -8.537 -10.706 -3.993 1.00 0.72 O ATOM 1077 CB GLN A 71 -11.368 -9.229 -5.107 1.00 0.74 C ATOM 1078 CG GLN A 71 -12.829 -9.422 -5.477 1.00 0.88 C ATOM 1079 CD GLN A 71 -13.291 -8.460 -6.554 1.00 1.32 C ATOM 1080 OE1 GLN A 71 -13.195 -8.753 -7.747 1.00 1.79 O ATOM 1081 NE2 GLN A 71 -13.799 -7.304 -6.140 1.00 1.90 N ATOM 0 H GLN A 71 -12.319 -9.239 -2.818 1.00 0.69 H new ATOM 0 HA GLN A 71 -10.968 -11.208 -4.380 1.00 0.68 H new ATOM 0 HB2 GLN A 71 -11.219 -8.203 -4.772 1.00 0.74 H new ATOM 0 HB3 GLN A 71 -10.755 -9.365 -5.998 1.00 0.74 H new ATOM 0 HG2 GLN A 71 -12.981 -10.445 -5.820 1.00 0.88 H new ATOM 0 HG3 GLN A 71 -13.445 -9.289 -4.588 1.00 0.88 H new ATOM 0 HE21 GLN A 71 -13.860 -7.102 -5.142 1.00 1.90 H new ATOM 0 HE22 GLN A 71 -14.128 -6.619 -6.820 1.00 1.90 H new ATOM 1090 N LEU A 72 -9.170 -8.746 -3.084 1.00 0.45 N ATOM 1091 CA LEU A 72 -7.821 -8.344 -2.715 1.00 0.39 C ATOM 1092 C LEU A 72 -7.184 -9.357 -1.768 1.00 0.41 C ATOM 1093 O LEU A 72 -5.999 -9.669 -1.887 1.00 0.41 O ATOM 1094 CB LEU A 72 -7.853 -6.963 -2.055 1.00 0.40 C ATOM 1095 CG LEU A 72 -7.043 -5.887 -2.745 1.00 0.52 C ATOM 1096 CD1 LEU A 72 -7.387 -5.793 -4.224 1.00 1.10 C ATOM 1097 CD2 LEU A 72 -7.251 -4.547 -2.060 1.00 1.06 C ATOM 0 H LEU A 72 -9.892 -8.070 -2.834 1.00 0.45 H new ATOM 0 HA LEU A 72 -7.218 -8.301 -3.622 1.00 0.39 H new ATOM 0 HB2 LEU A 72 -8.890 -6.632 -1.999 1.00 0.40 H new ATOM 0 HB3 LEU A 72 -7.494 -7.062 -1.031 1.00 0.40 H new ATOM 0 HG LEU A 72 -5.990 -6.160 -2.668 1.00 0.52 H new ATOM 0 HD11 LEU A 72 -6.787 -5.010 -4.688 1.00 1.10 H new ATOM 0 HD12 LEU A 72 -7.176 -6.747 -4.708 1.00 1.10 H new ATOM 0 HD13 LEU A 72 -8.445 -5.554 -4.337 1.00 1.10 H new ATOM 0 HD21 LEU A 72 -6.662 -3.783 -2.568 1.00 1.06 H new ATOM 0 HD22 LEU A 72 -8.306 -4.278 -2.101 1.00 1.06 H new ATOM 0 HD23 LEU A 72 -6.934 -4.617 -1.019 1.00 1.06 H new ATOM 1109 N GLU A 73 -7.980 -9.865 -0.830 1.00 0.49 N ATOM 1110 CA GLU A 73 -7.501 -10.841 0.147 1.00 0.57 C ATOM 1111 C GLU A 73 -6.736 -11.977 -0.530 1.00 0.59 C ATOM 1112 O GLU A 73 -5.646 -12.348 -0.094 1.00 0.68 O ATOM 1113 CB GLU A 73 -8.674 -11.408 0.949 1.00 0.67 C ATOM 1114 CG GLU A 73 -8.260 -12.408 2.016 1.00 0.75 C ATOM 1115 CD GLU A 73 -9.435 -12.906 2.835 1.00 1.45 C ATOM 1116 OE1 GLU A 73 -9.761 -12.267 3.858 1.00 1.76 O ATOM 1117 OE2 GLU A 73 -10.029 -13.937 2.455 1.00 2.25 O ATOM 0 H GLU A 73 -8.964 -9.616 -0.725 1.00 0.49 H new ATOM 0 HA GLU A 73 -6.818 -10.327 0.823 1.00 0.57 H new ATOM 0 HB2 GLU A 73 -9.209 -10.585 1.423 1.00 0.67 H new ATOM 0 HB3 GLU A 73 -9.372 -11.890 0.264 1.00 0.67 H new ATOM 0 HG2 GLU A 73 -7.767 -13.256 1.542 1.00 0.75 H new ATOM 0 HG3 GLU A 73 -7.530 -11.945 2.679 1.00 0.75 H new ATOM 1124 N ALA A 74 -7.314 -12.523 -1.594 1.00 0.62 N ATOM 1125 CA ALA A 74 -6.686 -13.617 -2.328 1.00 0.70 C ATOM 1126 C ALA A 74 -5.614 -13.099 -3.282 1.00 0.57 C ATOM 1127 O ALA A 74 -4.762 -13.857 -3.744 1.00 0.60 O ATOM 1128 CB ALA A 74 -7.734 -14.410 -3.092 1.00 0.89 C ATOM 0 H ALA A 74 -8.216 -12.227 -1.968 1.00 0.62 H new ATOM 0 HA ALA A 74 -6.203 -14.274 -1.605 1.00 0.70 H new ATOM 0 HB1 ALA A 74 -7.251 -15.223 -3.635 1.00 0.89 H new ATOM 0 HB2 ALA A 74 -8.460 -14.823 -2.392 1.00 0.89 H new ATOM 0 HB3 ALA A 74 -8.243 -13.754 -3.798 1.00 0.89 H new ATOM 1134 N PHE A 75 -5.666 -11.804 -3.572 1.00 0.49 N ATOM 1135 CA PHE A 75 -4.708 -11.182 -4.479 1.00 0.46 C ATOM 1136 C PHE A 75 -3.382 -10.903 -3.778 1.00 0.38 C ATOM 1137 O PHE A 75 -2.340 -10.786 -4.423 1.00 0.47 O ATOM 1138 CB PHE A 75 -5.286 -9.884 -5.043 1.00 0.55 C ATOM 1139 CG PHE A 75 -4.410 -9.238 -6.076 1.00 0.63 C ATOM 1140 CD1 PHE A 75 -4.371 -9.727 -7.370 1.00 0.76 C ATOM 1141 CD2 PHE A 75 -3.628 -8.144 -5.751 1.00 0.67 C ATOM 1142 CE1 PHE A 75 -3.567 -9.135 -8.323 1.00 0.88 C ATOM 1143 CE2 PHE A 75 -2.821 -7.546 -6.700 1.00 0.82 C ATOM 1144 CZ PHE A 75 -2.790 -8.042 -7.987 1.00 0.91 C ATOM 0 H PHE A 75 -6.363 -11.163 -3.192 1.00 0.49 H new ATOM 0 HA PHE A 75 -4.518 -11.877 -5.297 1.00 0.46 H new ATOM 0 HB2 PHE A 75 -6.261 -10.091 -5.483 1.00 0.55 H new ATOM 0 HB3 PHE A 75 -5.448 -9.182 -4.225 1.00 0.55 H new ATOM 0 HD1 PHE A 75 -4.976 -10.581 -7.637 1.00 0.76 H new ATOM 0 HD2 PHE A 75 -3.648 -7.753 -4.744 1.00 0.67 H new ATOM 0 HE1 PHE A 75 -3.545 -9.525 -9.330 1.00 0.88 H new ATOM 0 HE2 PHE A 75 -2.216 -6.692 -6.435 1.00 0.82 H new ATOM 0 HZ PHE A 75 -2.160 -7.577 -8.731 1.00 0.91 H new ATOM 1154 N LEU A 76 -3.428 -10.803 -2.457 1.00 0.33 N ATOM 1155 CA LEU A 76 -2.232 -10.528 -1.672 1.00 0.36 C ATOM 1156 C LEU A 76 -1.375 -11.779 -1.519 1.00 0.40 C ATOM 1157 O LEU A 76 -0.164 -11.739 -1.732 1.00 0.60 O ATOM 1158 CB LEU A 76 -2.619 -9.983 -0.296 1.00 0.43 C ATOM 1159 CG LEU A 76 -1.558 -9.123 0.397 1.00 0.55 C ATOM 1160 CD1 LEU A 76 -0.392 -9.974 0.867 1.00 0.82 C ATOM 1161 CD2 LEU A 76 -1.071 -8.019 -0.526 1.00 0.80 C ATOM 0 H LEU A 76 -4.280 -10.908 -1.906 1.00 0.33 H new ATOM 0 HA LEU A 76 -1.645 -9.778 -2.201 1.00 0.36 H new ATOM 0 HB2 LEU A 76 -3.528 -9.391 -0.402 1.00 0.43 H new ATOM 0 HB3 LEU A 76 -2.860 -10.824 0.354 1.00 0.43 H new ATOM 0 HG LEU A 76 -2.019 -8.663 1.271 1.00 0.55 H new ATOM 0 HD11 LEU A 76 0.348 -9.340 1.356 1.00 0.82 H new ATOM 0 HD12 LEU A 76 -0.750 -10.724 1.572 1.00 0.82 H new ATOM 0 HD13 LEU A 76 0.065 -10.470 0.011 1.00 0.82 H new ATOM 0 HD21 LEU A 76 -0.318 -7.421 -0.012 1.00 0.80 H new ATOM 0 HD22 LEU A 76 -0.635 -8.460 -1.422 1.00 0.80 H new ATOM 0 HD23 LEU A 76 -1.910 -7.383 -0.806 1.00 0.80 H new ATOM 1173 N THR A 77 -2.005 -12.886 -1.137 1.00 0.41 N ATOM 1174 CA THR A 77 -1.292 -14.146 -0.969 1.00 0.49 C ATOM 1175 C THR A 77 -0.535 -14.503 -2.242 1.00 0.47 C ATOM 1176 O THR A 77 0.479 -15.196 -2.201 1.00 0.53 O ATOM 1177 CB THR A 77 -2.257 -15.296 -0.612 1.00 0.63 C ATOM 1178 OG1 THR A 77 -2.940 -15.000 0.612 1.00 0.73 O ATOM 1179 CG2 THR A 77 -1.512 -16.617 -0.472 1.00 0.71 C ATOM 0 H THR A 77 -3.004 -12.935 -0.939 1.00 0.41 H new ATOM 0 HA THR A 77 -0.587 -14.015 -0.148 1.00 0.49 H new ATOM 0 HB THR A 77 -2.980 -15.392 -1.422 1.00 0.63 H new ATOM 0 HG1 THR A 77 -3.552 -15.734 0.831 1.00 0.73 H new ATOM 0 HG21 THR A 77 -2.218 -17.408 -0.220 1.00 0.71 H new ATOM 0 HG22 THR A 77 -1.018 -16.858 -1.413 1.00 0.71 H new ATOM 0 HG23 THR A 77 -0.766 -16.532 0.318 1.00 0.71 H new ATOM 1187 N ALA A 78 -1.032 -14.006 -3.368 1.00 0.45 N ATOM 1188 CA ALA A 78 -0.418 -14.264 -4.663 1.00 0.52 C ATOM 1189 C ALA A 78 0.972 -13.643 -4.747 1.00 0.53 C ATOM 1190 O ALA A 78 1.843 -14.141 -5.460 1.00 0.67 O ATOM 1191 CB ALA A 78 -1.311 -13.726 -5.771 1.00 0.60 C ATOM 0 H ALA A 78 -1.864 -13.418 -3.409 1.00 0.45 H new ATOM 0 HA ALA A 78 -0.307 -15.341 -4.785 1.00 0.52 H new ATOM 0 HB1 ALA A 78 -0.848 -13.921 -6.738 1.00 0.60 H new ATOM 0 HB2 ALA A 78 -2.282 -14.219 -5.727 1.00 0.60 H new ATOM 0 HB3 ALA A 78 -1.444 -12.652 -5.642 1.00 0.60 H new ATOM 1197 N GLN A 79 1.172 -12.554 -4.013 1.00 0.47 N ATOM 1198 CA GLN A 79 2.455 -11.860 -4.003 1.00 0.53 C ATOM 1199 C GLN A 79 3.490 -12.636 -3.197 1.00 0.54 C ATOM 1200 O GLN A 79 4.681 -12.331 -3.241 1.00 1.06 O ATOM 1201 CB GLN A 79 2.301 -10.461 -3.408 1.00 0.56 C ATOM 1202 CG GLN A 79 1.029 -9.749 -3.827 1.00 0.96 C ATOM 1203 CD GLN A 79 0.968 -8.325 -3.311 1.00 1.23 C ATOM 1204 OE1 GLN A 79 0.354 -7.458 -3.928 1.00 2.20 O ATOM 1205 NE2 GLN A 79 1.609 -8.080 -2.169 1.00 0.61 N ATOM 0 H GLN A 79 0.461 -12.132 -3.416 1.00 0.47 H new ATOM 0 HA GLN A 79 2.796 -11.781 -5.035 1.00 0.53 H new ATOM 0 HB2 GLN A 79 2.322 -10.535 -2.321 1.00 0.56 H new ATOM 0 HB3 GLN A 79 3.158 -9.856 -3.703 1.00 0.56 H new ATOM 0 HG2 GLN A 79 0.961 -9.742 -4.915 1.00 0.96 H new ATOM 0 HG3 GLN A 79 0.167 -10.304 -3.458 1.00 0.96 H new ATOM 0 HE21 GLN A 79 2.106 -8.832 -1.692 1.00 0.61 H new ATOM 0 HE22 GLN A 79 1.603 -7.140 -1.772 1.00 0.61 H new ATOM 1214 N THR A 80 3.028 -13.636 -2.456 1.00 0.63 N ATOM 1215 CA THR A 80 3.919 -14.443 -1.636 1.00 0.65 C ATOM 1216 C THR A 80 4.250 -15.763 -2.326 1.00 0.64 C ATOM 1217 O THR A 80 5.208 -16.442 -1.960 1.00 0.73 O ATOM 1218 CB THR A 80 3.304 -14.736 -0.253 1.00 0.77 C ATOM 1219 OG1 THR A 80 2.233 -15.678 -0.380 1.00 1.31 O ATOM 1220 CG2 THR A 80 2.784 -13.456 0.388 1.00 0.44 C ATOM 0 H THR A 80 2.046 -13.906 -2.407 1.00 0.63 H new ATOM 0 HA THR A 80 4.834 -13.866 -1.499 1.00 0.65 H new ATOM 0 HB THR A 80 4.082 -15.156 0.384 1.00 0.77 H new ATOM 0 HG1 THR A 80 1.464 -15.244 -0.806 1.00 1.31 H new ATOM 0 HG21 THR A 80 2.354 -13.686 1.363 1.00 0.44 H new ATOM 0 HG22 THR A 80 3.606 -12.751 0.511 1.00 0.44 H new ATOM 0 HG23 THR A 80 2.019 -13.014 -0.251 1.00 0.44 H new ATOM 1228 N LYS A 81 3.446 -16.119 -3.326 1.00 0.68 N ATOM 1229 CA LYS A 81 3.659 -17.355 -4.070 1.00 0.71 C ATOM 1230 C LYS A 81 4.737 -17.157 -5.130 1.00 0.69 C ATOM 1231 O LYS A 81 5.385 -18.111 -5.560 1.00 0.81 O ATOM 1232 CB LYS A 81 2.355 -17.817 -4.732 1.00 0.76 C ATOM 1233 CG LYS A 81 1.107 -17.540 -3.908 1.00 1.54 C ATOM 1234 CD LYS A 81 1.173 -18.188 -2.531 1.00 1.55 C ATOM 1235 CE LYS A 81 0.810 -19.661 -2.589 1.00 2.12 C ATOM 1236 NZ LYS A 81 0.955 -20.320 -1.261 1.00 3.02 N ATOM 0 H LYS A 81 2.645 -15.570 -3.638 1.00 0.68 H new ATOM 0 HA LYS A 81 3.988 -18.123 -3.370 1.00 0.71 H new ATOM 0 HB2 LYS A 81 2.256 -17.323 -5.698 1.00 0.76 H new ATOM 0 HB3 LYS A 81 2.419 -18.888 -4.926 1.00 0.76 H new ATOM 0 HG2 LYS A 81 0.979 -16.463 -3.796 1.00 1.54 H new ATOM 0 HG3 LYS A 81 0.232 -17.911 -4.441 1.00 1.54 H new ATOM 0 HD2 LYS A 81 2.178 -18.076 -2.123 1.00 1.55 H new ATOM 0 HD3 LYS A 81 0.494 -17.672 -1.852 1.00 1.55 H new ATOM 0 HE2 LYS A 81 -0.217 -19.769 -2.938 1.00 2.12 H new ATOM 0 HE3 LYS A 81 1.448 -20.164 -3.316 1.00 2.12 H new ATOM 0 HZ1 LYS A 81 0.698 -21.324 -1.342 1.00 3.02 H new ATOM 0 HZ2 LYS A 81 1.941 -20.240 -0.939 1.00 3.02 H new ATOM 0 HZ3 LYS A 81 0.328 -19.857 -0.573 1.00 3.02 H new ATOM 1250 N LYS A 82 4.921 -15.906 -5.546 1.00 0.66 N ATOM 1251 CA LYS A 82 5.920 -15.572 -6.552 1.00 0.74 C ATOM 1252 C LYS A 82 7.329 -15.728 -5.991 1.00 0.78 C ATOM 1253 O LYS A 82 7.512 -16.196 -4.867 1.00 0.83 O ATOM 1254 CB LYS A 82 5.721 -14.135 -7.044 1.00 0.72 C ATOM 1255 CG LYS A 82 5.948 -13.087 -5.967 1.00 0.67 C ATOM 1256 CD LYS A 82 5.994 -11.683 -6.551 1.00 0.77 C ATOM 1257 CE LYS A 82 4.628 -11.236 -7.044 1.00 0.76 C ATOM 1258 NZ LYS A 82 4.676 -9.888 -7.676 1.00 1.09 N ATOM 0 H LYS A 82 4.389 -15.107 -5.200 1.00 0.66 H new ATOM 0 HA LYS A 82 5.797 -16.260 -7.389 1.00 0.74 H new ATOM 0 HB2 LYS A 82 6.403 -13.946 -7.873 1.00 0.72 H new ATOM 0 HB3 LYS A 82 4.709 -14.030 -7.434 1.00 0.72 H new ATOM 0 HG2 LYS A 82 5.151 -13.147 -5.226 1.00 0.67 H new ATOM 0 HG3 LYS A 82 6.883 -13.296 -5.447 1.00 0.67 H new ATOM 0 HD2 LYS A 82 6.354 -10.986 -5.795 1.00 0.77 H new ATOM 0 HD3 LYS A 82 6.706 -11.655 -7.376 1.00 0.77 H new ATOM 0 HE2 LYS A 82 4.248 -11.961 -7.764 1.00 0.76 H new ATOM 0 HE3 LYS A 82 3.928 -11.220 -6.208 1.00 0.76 H new ATOM 0 HZ1 LYS A 82 3.724 -9.622 -7.998 1.00 1.09 H new ATOM 0 HZ2 LYS A 82 5.014 -9.191 -6.982 1.00 1.09 H new ATOM 0 HZ3 LYS A 82 5.323 -9.909 -8.490 1.00 1.09 H new ATOM 1272 N GLN A 83 8.319 -15.332 -6.782 1.00 0.87 N ATOM 1273 CA GLN A 83 9.711 -15.418 -6.364 1.00 0.96 C ATOM 1274 C GLN A 83 10.307 -14.024 -6.205 1.00 0.80 C ATOM 1275 O GLN A 83 10.116 -13.156 -7.058 1.00 0.80 O ATOM 1276 CB GLN A 83 10.523 -16.228 -7.374 1.00 1.22 C ATOM 1277 CG GLN A 83 10.408 -15.718 -8.801 1.00 1.37 C ATOM 1278 CD GLN A 83 11.091 -16.631 -9.801 1.00 1.96 C ATOM 1279 OE1 GLN A 83 12.274 -16.467 -10.101 1.00 2.49 O ATOM 1280 NE2 GLN A 83 10.347 -17.600 -10.320 1.00 2.57 N ATOM 0 H GLN A 83 8.182 -14.948 -7.717 1.00 0.87 H new ATOM 0 HA GLN A 83 9.750 -15.925 -5.400 1.00 0.96 H new ATOM 0 HB2 GLN A 83 11.572 -16.216 -7.077 1.00 1.22 H new ATOM 0 HB3 GLN A 83 10.194 -17.267 -7.341 1.00 1.22 H new ATOM 0 HG2 GLN A 83 9.355 -15.619 -9.064 1.00 1.37 H new ATOM 0 HG3 GLN A 83 10.847 -14.722 -8.864 1.00 1.37 H new ATOM 0 HE21 GLN A 83 9.371 -17.698 -10.042 1.00 2.57 H new ATOM 0 HE22 GLN A 83 10.752 -18.247 -10.997 1.00 2.57 H new ATOM 1289 N GLY A 84 11.029 -13.816 -5.110 1.00 0.98 N ATOM 1290 CA GLY A 84 11.631 -12.522 -4.858 1.00 1.14 C ATOM 1291 C GLY A 84 10.605 -11.495 -4.420 1.00 1.22 C ATOM 1292 O GLY A 84 10.927 -10.317 -4.259 1.00 2.05 O ATOM 0 H GLY A 84 11.208 -14.520 -4.394 1.00 0.98 H new ATOM 0 HA2 GLY A 84 12.396 -12.622 -4.088 1.00 1.14 H new ATOM 0 HA3 GLY A 84 12.131 -12.173 -5.761 1.00 1.14 H new ATOM 1296 N GLY A 85 9.367 -11.945 -4.229 1.00 0.69 N ATOM 1297 CA GLY A 85 8.303 -11.055 -3.807 1.00 0.69 C ATOM 1298 C GLY A 85 8.470 -10.599 -2.373 1.00 0.66 C ATOM 1299 O GLY A 85 9.555 -10.178 -1.971 1.00 0.91 O ATOM 0 H GLY A 85 9.083 -12.916 -4.360 1.00 0.69 H new ATOM 0 HA2 GLY A 85 8.279 -10.184 -4.462 1.00 0.69 H new ATOM 0 HA3 GLY A 85 7.344 -11.562 -3.915 1.00 0.69 H new ATOM 1303 N ILE A 86 7.397 -10.685 -1.598 1.00 0.49 N ATOM 1304 CA ILE A 86 7.434 -10.271 -0.204 1.00 0.48 C ATOM 1305 C ILE A 86 7.273 -11.470 0.729 1.00 0.50 C ATOM 1306 O ILE A 86 6.830 -12.539 0.308 1.00 0.53 O ATOM 1307 CB ILE A 86 6.338 -9.230 0.085 1.00 0.45 C ATOM 1308 CG1 ILE A 86 4.954 -9.883 0.018 1.00 0.43 C ATOM 1309 CG2 ILE A 86 6.445 -8.082 -0.914 1.00 0.50 C ATOM 1310 CD1 ILE A 86 3.818 -8.946 0.368 1.00 0.45 C ATOM 0 H ILE A 86 6.492 -11.037 -1.911 1.00 0.49 H new ATOM 0 HA ILE A 86 8.408 -9.817 -0.019 1.00 0.48 H new ATOM 0 HB ILE A 86 6.476 -8.833 1.091 1.00 0.45 H new ATOM 0 HG12 ILE A 86 4.795 -10.272 -0.988 1.00 0.43 H new ATOM 0 HG13 ILE A 86 4.932 -10.735 0.697 1.00 0.43 H new ATOM 0 HG21 ILE A 86 5.668 -7.346 -0.707 1.00 0.50 H new ATOM 0 HG22 ILE A 86 7.424 -7.611 -0.824 1.00 0.50 H new ATOM 0 HG23 ILE A 86 6.320 -8.467 -1.926 1.00 0.50 H new ATOM 0 HD11 ILE A 86 2.871 -9.481 0.298 1.00 0.45 H new ATOM 0 HD12 ILE A 86 3.952 -8.576 1.385 1.00 0.45 H new ATOM 0 HD13 ILE A 86 3.812 -8.106 -0.326 1.00 0.45 H new ATOM 1322 N THR A 87 7.635 -11.284 1.993 1.00 0.52 N ATOM 1323 CA THR A 87 7.542 -12.354 2.981 1.00 0.57 C ATOM 1324 C THR A 87 6.172 -12.376 3.645 1.00 0.51 C ATOM 1325 O THR A 87 5.271 -11.632 3.258 1.00 0.48 O ATOM 1326 CB THR A 87 8.620 -12.209 4.072 1.00 0.64 C ATOM 1327 OG1 THR A 87 8.382 -11.025 4.843 1.00 1.18 O ATOM 1328 CG2 THR A 87 10.010 -12.145 3.457 1.00 1.27 C ATOM 0 H THR A 87 7.996 -10.403 2.359 1.00 0.52 H new ATOM 0 HA THR A 87 7.699 -13.289 2.443 1.00 0.57 H new ATOM 0 HB THR A 87 8.566 -13.083 4.721 1.00 0.64 H new ATOM 0 HG1 THR A 87 9.071 -10.941 5.535 1.00 1.18 H new ATOM 0 HG21 THR A 87 10.753 -12.043 4.248 1.00 1.27 H new ATOM 0 HG22 THR A 87 10.202 -13.059 2.895 1.00 1.27 H new ATOM 0 HG23 THR A 87 10.072 -11.287 2.787 1.00 1.27 H new ATOM 1336 N SER A 88 6.021 -13.241 4.643 1.00 0.56 N ATOM 1337 CA SER A 88 4.761 -13.357 5.366 1.00 0.53 C ATOM 1338 C SER A 88 4.520 -12.121 6.226 1.00 0.48 C ATOM 1339 O SER A 88 3.388 -11.653 6.353 1.00 0.48 O ATOM 1340 CB SER A 88 4.764 -14.610 6.242 1.00 0.62 C ATOM 1341 OG SER A 88 4.984 -15.775 5.465 1.00 1.53 O ATOM 0 H SER A 88 6.755 -13.871 4.969 1.00 0.56 H new ATOM 0 HA SER A 88 3.955 -13.437 4.637 1.00 0.53 H new ATOM 0 HB2 SER A 88 5.540 -14.524 7.002 1.00 0.62 H new ATOM 0 HB3 SER A 88 3.812 -14.693 6.766 1.00 0.62 H new ATOM 0 HG SER A 88 4.983 -16.562 6.048 1.00 1.53 H new ATOM 1347 N ASP A 89 5.592 -11.597 6.816 1.00 0.51 N ATOM 1348 CA ASP A 89 5.497 -10.410 7.658 1.00 0.51 C ATOM 1349 C ASP A 89 4.978 -9.227 6.849 1.00 0.44 C ATOM 1350 O ASP A 89 4.138 -8.459 7.320 1.00 0.45 O ATOM 1351 CB ASP A 89 6.862 -10.074 8.261 1.00 0.59 C ATOM 1352 CG ASP A 89 7.395 -11.187 9.144 1.00 1.48 C ATOM 1353 OD1 ASP A 89 6.991 -11.254 10.324 1.00 1.85 O ATOM 1354 OD2 ASP A 89 8.217 -11.990 8.655 1.00 2.34 O ATOM 0 H ASP A 89 6.535 -11.976 6.726 1.00 0.51 H new ATOM 0 HA ASP A 89 4.797 -10.616 8.468 1.00 0.51 H new ATOM 0 HB2 ASP A 89 7.573 -9.879 7.458 1.00 0.59 H new ATOM 0 HB3 ASP A 89 6.782 -9.157 8.845 1.00 0.59 H new ATOM 1359 N GLN A 90 5.487 -9.089 5.630 1.00 0.44 N ATOM 1360 CA GLN A 90 5.073 -8.010 4.742 1.00 0.42 C ATOM 1361 C GLN A 90 3.643 -8.227 4.269 1.00 0.39 C ATOM 1362 O GLN A 90 2.803 -7.333 4.358 1.00 0.52 O ATOM 1363 CB GLN A 90 6.016 -7.932 3.535 1.00 0.49 C ATOM 1364 CG GLN A 90 7.376 -7.334 3.865 1.00 0.59 C ATOM 1365 CD GLN A 90 7.841 -6.318 2.837 1.00 0.75 C ATOM 1366 OE1 GLN A 90 7.412 -6.492 1.593 1.00 1.63 O flip ATOM 1367 NE2 GLN A 90 8.577 -5.386 3.160 1.00 0.91 N flip ATOM 0 H GLN A 90 6.189 -9.713 5.233 1.00 0.44 H new ATOM 0 HA GLN A 90 5.119 -7.071 5.293 1.00 0.42 H new ATOM 0 HB2 GLN A 90 6.157 -8.934 3.129 1.00 0.49 H new ATOM 0 HB3 GLN A 90 5.545 -7.335 2.754 1.00 0.49 H new ATOM 0 HG2 GLN A 90 7.329 -6.857 4.844 1.00 0.59 H new ATOM 0 HG3 GLN A 90 8.112 -8.135 3.935 1.00 0.59 H new ATOM 0 HE21 GLN A 90 8.883 -5.290 4.128 1.00 0.91 H new ATOM 0 HE22 GLN A 90 8.881 -4.710 2.459 1.00 0.91 H new ATOM 1376 N ALA A 91 3.375 -9.430 3.778 1.00 0.37 N ATOM 1377 CA ALA A 91 2.054 -9.787 3.282 1.00 0.37 C ATOM 1378 C ALA A 91 0.985 -9.663 4.363 1.00 0.34 C ATOM 1379 O ALA A 91 -0.203 -9.568 4.062 1.00 0.40 O ATOM 1380 CB ALA A 91 2.079 -11.202 2.730 1.00 0.45 C ATOM 0 H ALA A 91 4.063 -10.181 3.713 1.00 0.37 H new ATOM 0 HA ALA A 91 1.796 -9.087 2.488 1.00 0.37 H new ATOM 0 HB1 ALA A 91 1.088 -11.466 2.360 1.00 0.45 H new ATOM 0 HB2 ALA A 91 2.799 -11.262 1.914 1.00 0.45 H new ATOM 0 HB3 ALA A 91 2.368 -11.896 3.520 1.00 0.45 H new ATOM 1386 N ALA A 92 1.412 -9.663 5.620 1.00 0.31 N ATOM 1387 CA ALA A 92 0.482 -9.569 6.741 1.00 0.33 C ATOM 1388 C ALA A 92 -0.075 -8.159 6.912 1.00 0.28 C ATOM 1389 O ALA A 92 -1.264 -7.988 7.180 1.00 0.34 O ATOM 1390 CB ALA A 92 1.158 -10.027 8.023 1.00 0.40 C ATOM 0 H ALA A 92 2.394 -9.727 5.889 1.00 0.31 H new ATOM 0 HA ALA A 92 -0.360 -10.225 6.521 1.00 0.33 H new ATOM 0 HB1 ALA A 92 0.454 -9.952 8.852 1.00 0.40 H new ATOM 0 HB2 ALA A 92 1.482 -11.062 7.914 1.00 0.40 H new ATOM 0 HB3 ALA A 92 2.023 -9.395 8.224 1.00 0.40 H new ATOM 1396 N VAL A 93 0.777 -7.150 6.756 1.00 0.26 N ATOM 1397 CA VAL A 93 0.340 -5.767 6.916 1.00 0.30 C ATOM 1398 C VAL A 93 -0.267 -5.211 5.629 1.00 0.28 C ATOM 1399 O VAL A 93 -1.121 -4.325 5.669 1.00 0.35 O ATOM 1400 CB VAL A 93 1.496 -4.855 7.385 1.00 0.41 C ATOM 1401 CG1 VAL A 93 2.131 -4.109 6.220 1.00 0.43 C ATOM 1402 CG2 VAL A 93 0.997 -3.889 8.444 1.00 0.55 C ATOM 0 H VAL A 93 1.763 -7.262 6.522 1.00 0.26 H new ATOM 0 HA VAL A 93 -0.432 -5.775 7.686 1.00 0.30 H new ATOM 0 HB VAL A 93 2.271 -5.485 7.821 1.00 0.41 H new ATOM 0 HG11 VAL A 93 2.940 -3.478 6.589 1.00 0.43 H new ATOM 0 HG12 VAL A 93 2.529 -4.826 5.502 1.00 0.43 H new ATOM 0 HG13 VAL A 93 1.380 -3.488 5.733 1.00 0.43 H new ATOM 0 HG21 VAL A 93 1.818 -3.250 8.769 1.00 0.55 H new ATOM 0 HG22 VAL A 93 0.200 -3.273 8.028 1.00 0.55 H new ATOM 0 HG23 VAL A 93 0.614 -4.450 9.297 1.00 0.55 H new ATOM 1412 N ILE A 94 0.176 -5.731 4.489 1.00 0.24 N ATOM 1413 CA ILE A 94 -0.331 -5.279 3.199 1.00 0.25 C ATOM 1414 C ILE A 94 -1.699 -5.888 2.914 1.00 0.25 C ATOM 1415 O ILE A 94 -2.536 -5.265 2.270 1.00 0.28 O ATOM 1416 CB ILE A 94 0.646 -5.624 2.058 1.00 0.30 C ATOM 1417 CG1 ILE A 94 2.053 -5.142 2.414 1.00 0.40 C ATOM 1418 CG2 ILE A 94 0.185 -4.992 0.751 1.00 0.31 C ATOM 1419 CD1 ILE A 94 3.130 -5.688 1.503 1.00 0.52 C ATOM 0 H ILE A 94 0.883 -6.464 4.432 1.00 0.24 H new ATOM 0 HA ILE A 94 -0.429 -4.195 3.248 1.00 0.25 H new ATOM 0 HB ILE A 94 0.665 -6.706 1.928 1.00 0.30 H new ATOM 0 HG12 ILE A 94 2.075 -4.053 2.376 1.00 0.40 H new ATOM 0 HG13 ILE A 94 2.277 -5.430 3.441 1.00 0.40 H new ATOM 0 HG21 ILE A 94 0.887 -5.246 -0.043 1.00 0.31 H new ATOM 0 HG22 ILE A 94 -0.805 -5.368 0.494 1.00 0.31 H new ATOM 0 HG23 ILE A 94 0.143 -3.909 0.865 1.00 0.31 H new ATOM 0 HD11 ILE A 94 4.101 -5.303 1.816 1.00 0.52 H new ATOM 0 HD12 ILE A 94 3.136 -6.777 1.558 1.00 0.52 H new ATOM 0 HD13 ILE A 94 2.930 -5.378 0.477 1.00 0.52 H new ATOM 1431 N SER A 95 -1.917 -7.109 3.399 1.00 0.27 N ATOM 1432 CA SER A 95 -3.197 -7.795 3.219 1.00 0.34 C ATOM 1433 C SER A 95 -4.330 -7.005 3.869 1.00 0.39 C ATOM 1434 O SER A 95 -5.509 -7.254 3.618 1.00 0.47 O ATOM 1435 CB SER A 95 -3.129 -9.202 3.815 1.00 0.40 C ATOM 1436 OG SER A 95 -4.389 -9.848 3.750 1.00 0.49 O ATOM 0 H SER A 95 -1.223 -7.645 3.920 1.00 0.27 H new ATOM 0 HA SER A 95 -3.398 -7.871 2.150 1.00 0.34 H new ATOM 0 HB2 SER A 95 -2.387 -9.792 3.277 1.00 0.40 H new ATOM 0 HB3 SER A 95 -2.800 -9.145 4.853 1.00 0.40 H new ATOM 0 HG SER A 95 -5.083 -9.191 3.531 1.00 0.49 H new ATOM 1442 N LYS A 96 -3.949 -6.063 4.719 1.00 0.38 N ATOM 1443 CA LYS A 96 -4.897 -5.218 5.436 1.00 0.46 C ATOM 1444 C LYS A 96 -5.372 -4.055 4.562 1.00 0.45 C ATOM 1445 O LYS A 96 -6.137 -3.199 5.007 1.00 0.53 O ATOM 1446 CB LYS A 96 -4.237 -4.695 6.709 1.00 0.50 C ATOM 1447 CG LYS A 96 -3.320 -5.717 7.357 1.00 0.57 C ATOM 1448 CD LYS A 96 -4.061 -6.529 8.402 1.00 0.80 C ATOM 1449 CE LYS A 96 -4.162 -5.778 9.720 1.00 1.32 C ATOM 1450 NZ LYS A 96 -4.879 -6.569 10.759 1.00 2.12 N ATOM 0 H LYS A 96 -2.972 -5.861 4.933 1.00 0.38 H new ATOM 0 HA LYS A 96 -5.773 -5.812 5.696 1.00 0.46 H new ATOM 0 HB2 LYS A 96 -3.665 -3.797 6.474 1.00 0.50 H new ATOM 0 HB3 LYS A 96 -5.010 -4.404 7.420 1.00 0.50 H new ATOM 0 HG2 LYS A 96 -2.915 -6.382 6.594 1.00 0.57 H new ATOM 0 HG3 LYS A 96 -2.473 -5.209 7.819 1.00 0.57 H new ATOM 0 HD2 LYS A 96 -5.061 -6.766 8.039 1.00 0.80 H new ATOM 0 HD3 LYS A 96 -3.547 -7.477 8.560 1.00 0.80 H new ATOM 0 HE2 LYS A 96 -3.161 -5.534 10.076 1.00 1.32 H new ATOM 0 HE3 LYS A 96 -4.682 -4.833 9.560 1.00 1.32 H new ATOM 0 HZ1 LYS A 96 -4.926 -6.021 11.642 1.00 2.12 H new ATOM 0 HZ2 LYS A 96 -5.843 -6.780 10.431 1.00 2.12 H new ATOM 0 HZ3 LYS A 96 -4.369 -7.459 10.931 1.00 2.12 H new ATOM 1464 N PHE A 97 -4.893 -4.026 3.324 1.00 0.39 N ATOM 1465 CA PHE A 97 -5.243 -2.973 2.367 1.00 0.40 C ATOM 1466 C PHE A 97 -6.755 -2.812 2.143 1.00 0.48 C ATOM 1467 O PHE A 97 -7.166 -1.962 1.353 1.00 0.56 O ATOM 1468 CB PHE A 97 -4.548 -3.209 1.012 1.00 0.37 C ATOM 1469 CG PHE A 97 -4.622 -4.619 0.457 1.00 0.37 C ATOM 1470 CD1 PHE A 97 -5.321 -5.593 1.150 1.00 0.43 C ATOM 1471 CD2 PHE A 97 -4.031 -4.970 -0.749 1.00 0.42 C ATOM 1472 CE1 PHE A 97 -5.426 -6.881 0.661 1.00 0.50 C ATOM 1473 CE2 PHE A 97 -4.138 -6.254 -1.243 1.00 0.50 C ATOM 1474 CZ PHE A 97 -4.686 -7.198 -0.587 1.00 0.53 C ATOM 0 H PHE A 97 -4.253 -4.728 2.952 1.00 0.39 H new ATOM 0 HA PHE A 97 -4.888 -2.046 2.817 1.00 0.40 H new ATOM 0 HB2 PHE A 97 -4.985 -2.530 0.280 1.00 0.37 H new ATOM 0 HB3 PHE A 97 -3.498 -2.936 1.114 1.00 0.37 H new ATOM 0 HD1 PHE A 97 -5.792 -5.342 2.089 1.00 0.43 H new ATOM 0 HD2 PHE A 97 -3.480 -4.228 -1.308 1.00 0.42 H new ATOM 0 HE1 PHE A 97 -6.022 -7.627 1.166 1.00 0.50 H new ATOM 0 HE2 PHE A 97 -3.741 -6.467 -2.225 1.00 0.50 H new ATOM 0 HZ PHE A 97 -4.613 -8.218 -0.934 1.00 0.53 H new ATOM 1484 N TRP A 98 -7.586 -3.607 2.819 1.00 0.52 N ATOM 1485 CA TRP A 98 -9.037 -3.483 2.642 1.00 0.63 C ATOM 1486 C TRP A 98 -9.779 -3.316 3.968 1.00 0.69 C ATOM 1487 O TRP A 98 -11.000 -3.161 3.980 1.00 0.78 O ATOM 1488 CB TRP A 98 -9.611 -4.675 1.865 1.00 0.67 C ATOM 1489 CG TRP A 98 -9.194 -6.018 2.386 1.00 0.66 C ATOM 1490 CD1 TRP A 98 -8.338 -6.890 1.782 1.00 0.74 C ATOM 1491 CD2 TRP A 98 -9.628 -6.655 3.597 1.00 0.72 C ATOM 1492 NE1 TRP A 98 -8.197 -8.023 2.546 1.00 0.85 N ATOM 1493 CE2 TRP A 98 -8.981 -7.903 3.666 1.00 0.83 C ATOM 1494 CE3 TRP A 98 -10.493 -6.289 4.633 1.00 0.78 C ATOM 1495 CZ2 TRP A 98 -9.173 -8.786 4.725 1.00 0.97 C ATOM 1496 CZ3 TRP A 98 -10.684 -7.166 5.684 1.00 0.92 C ATOM 1497 CH2 TRP A 98 -10.025 -8.401 5.724 1.00 1.00 C ATOM 0 H TRP A 98 -7.291 -4.327 3.479 1.00 0.52 H new ATOM 0 HA TRP A 98 -9.193 -2.575 2.060 1.00 0.63 H new ATOM 0 HB2 TRP A 98 -10.699 -4.614 1.884 1.00 0.67 H new ATOM 0 HB3 TRP A 98 -9.305 -4.593 0.822 1.00 0.67 H new ATOM 0 HD1 TRP A 98 -7.842 -6.715 0.839 1.00 0.74 H new ATOM 0 HE1 TRP A 98 -7.606 -8.823 2.318 1.00 0.85 H new ATOM 0 HE3 TRP A 98 -11.003 -5.337 4.612 1.00 0.78 H new ATOM 0 HZ2 TRP A 98 -8.668 -9.740 4.757 1.00 0.97 H new ATOM 0 HZ3 TRP A 98 -11.352 -6.894 6.488 1.00 0.92 H new ATOM 0 HH2 TRP A 98 -10.193 -9.063 6.561 1.00 1.00 H new ATOM 1508 N LYS A 99 -9.052 -3.344 5.081 1.00 0.75 N ATOM 1509 CA LYS A 99 -9.678 -3.188 6.393 1.00 0.91 C ATOM 1510 C LYS A 99 -9.429 -1.794 6.959 1.00 1.11 C ATOM 1511 O LYS A 99 -10.151 -1.333 7.841 1.00 1.33 O ATOM 1512 CB LYS A 99 -9.172 -4.259 7.366 1.00 0.90 C ATOM 1513 CG LYS A 99 -7.657 -4.308 7.514 1.00 0.87 C ATOM 1514 CD LYS A 99 -7.140 -3.273 8.509 1.00 1.38 C ATOM 1515 CE LYS A 99 -7.681 -3.519 9.908 1.00 1.51 C ATOM 1516 NZ LYS A 99 -7.151 -2.535 10.892 1.00 1.67 N ATOM 0 H LYS A 99 -8.040 -3.472 5.103 1.00 0.75 H new ATOM 0 HA LYS A 99 -10.753 -3.315 6.266 1.00 0.91 H new ATOM 0 HB2 LYS A 99 -9.615 -4.081 8.346 1.00 0.90 H new ATOM 0 HB3 LYS A 99 -9.524 -5.234 7.029 1.00 0.90 H new ATOM 0 HG2 LYS A 99 -7.358 -5.304 7.840 1.00 0.87 H new ATOM 0 HG3 LYS A 99 -7.193 -4.138 6.542 1.00 0.87 H new ATOM 0 HD2 LYS A 99 -6.051 -3.301 8.530 1.00 1.38 H new ATOM 0 HD3 LYS A 99 -7.427 -2.275 8.178 1.00 1.38 H new ATOM 0 HE2 LYS A 99 -8.769 -3.464 9.891 1.00 1.51 H new ATOM 0 HE3 LYS A 99 -7.418 -4.528 10.226 1.00 1.51 H new ATOM 0 HZ1 LYS A 99 -7.545 -2.738 11.833 1.00 1.67 H new ATOM 0 HZ2 LYS A 99 -6.114 -2.604 10.928 1.00 1.67 H new ATOM 0 HZ3 LYS A 99 -7.424 -1.574 10.603 1.00 1.67 H new