USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=21 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 96 LYS NZ :NH3+ -129:sc= -0.589 (180deg=-2!) USER MOD Set 1.2: A 99 LYS NZ :NH3+ -155:sc= 0 (180deg=0) USER MOD Set 2.1: A 55 MET CE :methyl 173:sc= -6.48! (180deg=-6.57!) USER MOD Set 2.2: A 90 GLN :FLIP amide:sc=-0.00808 F(o=-11!,f=-6.5) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 75:sc= 0.702 USER MOD Single : A 17 ASN : amide:sc= -0.0573 K(o=-0.057,f=-1.3!) USER MOD Single : A 21 GLN :FLIP amide:sc= -4.27! C(o=-7!,f=-4.3!) USER MOD Single : A 31 THR OG1 : rot -128:sc= 0.503 USER MOD Single : A 37 SER OG : rot 94:sc= 0.773 USER MOD Single : A 38 GLN : amide:sc= -0.0145 K(o=-0.015,f=-1.4) USER MOD Single : A 40 TYR OH : rot 120:sc= -0.709 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -163:sc= -0.041 (180deg=-0.336) USER MOD Single : A 61 SER OG : rot 78:sc= 1.18 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -160:sc= 0 (180deg=-0.584) USER MOD Single : A 70 ASN : amide:sc= -0.211 X(o=-0.21,f=0) 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 :FLIP amide:sc= -9.67! C(o=-11!,f=-9.7!) USER MOD Single : A 80 THR OG1 : rot -11:sc= 0.254 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -131:sc= -1.85! (180deg=-1.9!) USER MOD Single : A 83 GLN :FLIP amide:sc= -0.0139 F(o=-1.2,f=-0.014) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -0.0465 USER MOD Single : A 95 SER OG : rot -25:sc= 0.238 USER MOD ----------------------------------------------------------------- ATOM 103 N GLY A 9 6.535 -1.066 10.095 1.00 1.01 N ATOM 104 CA GLY A 9 5.572 -1.865 9.359 1.00 1.09 C ATOM 105 C GLY A 9 4.269 -1.130 9.117 1.00 1.08 C ATOM 106 O GLY A 9 3.740 -1.150 8.006 1.00 1.26 O ATOM 0 HA2 GLY A 9 6.004 -2.157 8.402 1.00 1.09 H new ATOM 0 HA3 GLY A 9 5.370 -2.783 9.911 1.00 1.09 H new ATOM 110 N LYS A 10 3.752 -0.476 10.156 1.00 1.12 N ATOM 111 CA LYS A 10 2.498 0.265 10.051 1.00 1.33 C ATOM 112 C LYS A 10 2.471 1.130 8.785 1.00 1.14 C ATOM 113 O LYS A 10 1.568 0.983 7.962 1.00 1.22 O ATOM 114 CB LYS A 10 2.273 1.119 11.302 1.00 1.68 C ATOM 115 CG LYS A 10 1.970 0.311 12.557 1.00 2.23 C ATOM 116 CD LYS A 10 0.652 -0.447 12.448 1.00 3.07 C ATOM 117 CE LYS A 10 -0.538 0.498 12.370 1.00 3.89 C ATOM 118 NZ LYS A 10 -1.829 -0.241 12.301 1.00 4.57 N ATOM 0 H LYS A 10 4.183 -0.445 11.080 1.00 1.12 H new ATOM 0 HA LYS A 10 1.684 -0.456 9.977 1.00 1.33 H new ATOM 0 HB2 LYS A 10 3.160 1.727 11.479 1.00 1.68 H new ATOM 0 HB3 LYS A 10 1.448 1.806 11.117 1.00 1.68 H new ATOM 0 HG2 LYS A 10 2.780 -0.396 12.737 1.00 2.23 H new ATOM 0 HG3 LYS A 10 1.933 0.979 13.417 1.00 2.23 H new ATOM 0 HD2 LYS A 10 0.670 -1.082 11.563 1.00 3.07 H new ATOM 0 HD3 LYS A 10 0.538 -1.104 13.310 1.00 3.07 H new ATOM 0 HE2 LYS A 10 -0.540 1.152 13.242 1.00 3.89 H new ATOM 0 HE3 LYS A 10 -0.438 1.137 11.492 1.00 3.89 H new ATOM 0 HZ1 LYS A 10 -2.615 0.438 12.249 1.00 4.57 H new ATOM 0 HZ2 LYS A 10 -1.838 -0.846 11.455 1.00 4.57 H new ATOM 0 HZ3 LYS A 10 -1.937 -0.831 13.150 1.00 4.57 H new ATOM 132 N PRO A 11 3.440 2.058 8.608 1.00 1.03 N ATOM 133 CA PRO A 11 3.498 2.899 7.412 1.00 1.05 C ATOM 134 C PRO A 11 3.379 2.082 6.129 1.00 0.77 C ATOM 135 O PRO A 11 2.634 2.439 5.216 1.00 0.72 O ATOM 136 CB PRO A 11 4.881 3.544 7.485 1.00 1.20 C ATOM 137 CG PRO A 11 5.250 3.535 8.928 1.00 1.49 C ATOM 138 CD PRO A 11 4.512 2.389 9.568 1.00 1.15 C ATOM 0 HA PRO A 11 2.677 3.616 7.387 1.00 1.05 H new ATOM 0 HB2 PRO A 11 5.606 2.987 6.891 1.00 1.20 H new ATOM 0 HB3 PRO A 11 4.861 4.560 7.092 1.00 1.20 H new ATOM 0 HG2 PRO A 11 6.327 3.415 9.049 1.00 1.49 H new ATOM 0 HG3 PRO A 11 4.979 4.479 9.401 1.00 1.49 H new ATOM 0 HD2 PRO A 11 5.171 1.537 9.737 1.00 1.15 H new ATOM 0 HD3 PRO A 11 4.103 2.672 10.538 1.00 1.15 H new ATOM 146 N LEU A 12 4.130 0.985 6.073 1.00 0.70 N ATOM 147 CA LEU A 12 4.129 0.099 4.912 1.00 0.57 C ATOM 148 C LEU A 12 2.714 -0.366 4.577 1.00 0.48 C ATOM 149 O LEU A 12 2.416 -0.696 3.429 1.00 0.53 O ATOM 150 CB LEU A 12 5.033 -1.105 5.183 1.00 0.61 C ATOM 151 CG LEU A 12 5.202 -2.079 4.015 1.00 0.58 C ATOM 152 CD1 LEU A 12 6.081 -1.476 2.929 1.00 1.01 C ATOM 153 CD2 LEU A 12 5.782 -3.394 4.512 1.00 0.91 C ATOM 0 H LEU A 12 4.752 0.687 6.825 1.00 0.70 H new ATOM 0 HA LEU A 12 4.511 0.652 4.054 1.00 0.57 H new ATOM 0 HB2 LEU A 12 6.018 -0.739 5.474 1.00 0.61 H new ATOM 0 HB3 LEU A 12 4.632 -1.653 6.035 1.00 0.61 H new ATOM 0 HG LEU A 12 4.222 -2.273 3.580 1.00 0.58 H new ATOM 0 HD11 LEU A 12 6.186 -2.187 2.110 1.00 1.01 H new ATOM 0 HD12 LEU A 12 5.623 -0.559 2.557 1.00 1.01 H new ATOM 0 HD13 LEU A 12 7.064 -1.249 3.341 1.00 1.01 H new ATOM 0 HD21 LEU A 12 5.898 -4.080 3.673 1.00 0.91 H new ATOM 0 HD22 LEU A 12 6.754 -3.213 4.970 1.00 0.91 H new ATOM 0 HD23 LEU A 12 5.110 -3.833 5.249 1.00 0.91 H new ATOM 165 N SER A 13 1.847 -0.396 5.584 1.00 0.52 N ATOM 166 CA SER A 13 0.463 -0.811 5.386 1.00 0.61 C ATOM 167 C SER A 13 -0.344 0.311 4.744 1.00 0.58 C ATOM 168 O SER A 13 -1.271 0.060 3.972 1.00 0.69 O ATOM 169 CB SER A 13 -0.168 -1.228 6.718 1.00 0.78 C ATOM 170 OG SER A 13 -1.550 -1.499 6.566 1.00 1.39 O ATOM 0 H SER A 13 2.078 -0.138 6.544 1.00 0.52 H new ATOM 0 HA SER A 13 0.454 -1.670 4.716 1.00 0.61 H new ATOM 0 HB2 SER A 13 0.339 -2.113 7.103 1.00 0.78 H new ATOM 0 HB3 SER A 13 -0.029 -0.436 7.454 1.00 0.78 H new ATOM 0 HG SER A 13 -1.667 -2.366 6.124 1.00 1.39 H new ATOM 176 N GLY A 14 0.016 1.550 5.065 1.00 0.56 N ATOM 177 CA GLY A 14 -0.673 2.695 4.497 1.00 0.59 C ATOM 178 C GLY A 14 -0.005 3.179 3.228 1.00 0.55 C ATOM 179 O GLY A 14 -0.212 4.312 2.796 1.00 0.58 O ATOM 0 H GLY A 14 0.773 1.782 5.708 1.00 0.56 H new ATOM 0 HA2 GLY A 14 -1.708 2.428 4.284 1.00 0.59 H new ATOM 0 HA3 GLY A 14 -0.697 3.504 5.227 1.00 0.59 H new ATOM 183 N LEU A 15 0.812 2.317 2.642 1.00 0.52 N ATOM 184 CA LEU A 15 1.520 2.636 1.410 1.00 0.52 C ATOM 185 C LEU A 15 0.538 2.870 0.278 1.00 0.46 C ATOM 186 O LEU A 15 0.707 3.779 -0.534 1.00 0.47 O ATOM 187 CB LEU A 15 2.449 1.484 1.055 1.00 0.57 C ATOM 188 CG LEU A 15 3.939 1.827 0.995 1.00 0.69 C ATOM 189 CD1 LEU A 15 4.236 2.668 -0.233 1.00 0.97 C ATOM 190 CD2 LEU A 15 4.375 2.553 2.259 1.00 1.10 C ATOM 0 H LEU A 15 1.003 1.382 3.003 1.00 0.52 H new ATOM 0 HA LEU A 15 2.100 3.547 1.558 1.00 0.52 H new ATOM 0 HB2 LEU A 15 2.307 0.689 1.787 1.00 0.57 H new ATOM 0 HB3 LEU A 15 2.148 1.084 0.087 1.00 0.57 H new ATOM 0 HG LEU A 15 4.505 0.898 0.925 1.00 0.69 H new ATOM 0 HD11 LEU A 15 5.300 2.905 -0.263 1.00 0.97 H new ATOM 0 HD12 LEU A 15 3.962 2.112 -1.130 1.00 0.97 H new ATOM 0 HD13 LEU A 15 3.660 3.592 -0.189 1.00 0.97 H new ATOM 0 HD21 LEU A 15 5.438 2.788 2.196 1.00 1.10 H new ATOM 0 HD22 LEU A 15 3.805 3.476 2.363 1.00 1.10 H new ATOM 0 HD23 LEU A 15 4.195 1.916 3.125 1.00 1.10 H new ATOM 202 N LEU A 16 -0.496 2.043 0.241 1.00 0.45 N ATOM 203 CA LEU A 16 -1.520 2.146 -0.785 1.00 0.42 C ATOM 204 C LEU A 16 -2.286 3.447 -0.588 1.00 0.40 C ATOM 205 O LEU A 16 -2.949 3.948 -1.495 1.00 0.41 O ATOM 206 CB LEU A 16 -2.476 0.943 -0.734 1.00 0.47 C ATOM 207 CG LEU A 16 -1.822 -0.438 -0.554 1.00 0.53 C ATOM 208 CD1 LEU A 16 -0.537 -0.556 -1.366 1.00 0.86 C ATOM 209 CD2 LEU A 16 -1.555 -0.723 0.917 1.00 0.92 C ATOM 0 H LEU A 16 -0.647 1.291 0.913 1.00 0.45 H new ATOM 0 HA LEU A 16 -1.045 2.145 -1.766 1.00 0.42 H new ATOM 0 HB2 LEU A 16 -3.179 1.098 0.085 1.00 0.47 H new ATOM 0 HB3 LEU A 16 -3.058 0.929 -1.655 1.00 0.47 H new ATOM 0 HG LEU A 16 -2.522 -1.185 -0.928 1.00 0.53 H new ATOM 0 HD11 LEU A 16 -0.101 -1.544 -1.216 1.00 0.86 H new ATOM 0 HD12 LEU A 16 -0.761 -0.415 -2.423 1.00 0.86 H new ATOM 0 HD13 LEU A 16 0.171 0.206 -1.040 1.00 0.86 H new ATOM 0 HD21 LEU A 16 -1.092 -1.705 1.019 1.00 0.92 H new ATOM 0 HD22 LEU A 16 -0.885 0.037 1.319 1.00 0.92 H new ATOM 0 HD23 LEU A 16 -2.496 -0.706 1.467 1.00 0.92 H new ATOM 221 N ASN A 17 -2.178 3.976 0.626 1.00 0.40 N ATOM 222 CA ASN A 17 -2.830 5.220 1.004 1.00 0.42 C ATOM 223 C ASN A 17 -1.991 6.425 0.582 1.00 0.38 C ATOM 224 O ASN A 17 -2.515 7.410 0.061 1.00 0.42 O ATOM 225 CB ASN A 17 -3.046 5.234 2.515 1.00 0.47 C ATOM 226 CG ASN A 17 -4.297 4.484 2.929 1.00 1.38 C ATOM 227 OD1 ASN A 17 -5.289 4.455 2.200 1.00 1.93 O ATOM 228 ND2 ASN A 17 -4.256 3.871 4.107 1.00 2.33 N ATOM 0 H ASN A 17 -1.633 3.551 1.376 1.00 0.40 H new ATOM 0 HA ASN A 17 -3.791 5.284 0.494 1.00 0.42 H new ATOM 0 HB2 ASN A 17 -2.180 4.790 3.007 1.00 0.47 H new ATOM 0 HB3 ASN A 17 -3.114 6.266 2.860 1.00 0.47 H new ATOM 0 HD21 ASN A 17 -5.068 3.350 4.439 1.00 2.33 H new ATOM 0 HD22 ASN A 17 -3.413 3.921 4.679 1.00 2.33 H new ATOM 235 N ALA A 18 -0.684 6.343 0.821 1.00 0.37 N ATOM 236 CA ALA A 18 0.238 7.418 0.463 1.00 0.37 C ATOM 237 C ALA A 18 0.261 7.638 -1.043 1.00 0.38 C ATOM 238 O ALA A 18 0.266 8.771 -1.523 1.00 0.44 O ATOM 239 CB ALA A 18 1.636 7.087 0.946 1.00 0.42 C ATOM 0 H ALA A 18 -0.238 5.539 1.263 1.00 0.37 H new ATOM 0 HA ALA A 18 -0.108 8.333 0.944 1.00 0.37 H new ATOM 0 HB1 ALA A 18 2.316 7.895 0.674 1.00 0.42 H new ATOM 0 HB2 ALA A 18 1.628 6.969 2.030 1.00 0.42 H new ATOM 0 HB3 ALA A 18 1.971 6.159 0.482 1.00 0.42 H new ATOM 245 N LEU A 19 0.278 6.535 -1.779 1.00 0.42 N ATOM 246 CA LEU A 19 0.321 6.570 -3.235 1.00 0.48 C ATOM 247 C LEU A 19 -1.058 6.828 -3.836 1.00 0.52 C ATOM 248 O LEU A 19 -1.246 6.702 -5.046 1.00 0.69 O ATOM 249 CB LEU A 19 0.875 5.249 -3.758 1.00 0.51 C ATOM 250 CG LEU A 19 2.174 4.794 -3.095 1.00 0.61 C ATOM 251 CD1 LEU A 19 2.257 3.278 -3.076 1.00 0.77 C ATOM 252 CD2 LEU A 19 3.375 5.388 -3.814 1.00 0.94 C ATOM 0 H LEU A 19 0.262 5.594 -1.386 1.00 0.42 H new ATOM 0 HA LEU A 19 0.971 7.392 -3.534 1.00 0.48 H new ATOM 0 HB2 LEU A 19 0.121 4.474 -3.619 1.00 0.51 H new ATOM 0 HB3 LEU A 19 1.043 5.341 -4.831 1.00 0.51 H new ATOM 0 HG LEU A 19 2.181 5.151 -2.065 1.00 0.61 H new ATOM 0 HD11 LEU A 19 3.188 2.971 -2.600 1.00 0.77 H new ATOM 0 HD12 LEU A 19 1.413 2.874 -2.516 1.00 0.77 H new ATOM 0 HD13 LEU A 19 2.229 2.899 -4.098 1.00 0.77 H new ATOM 0 HD21 LEU A 19 4.292 5.053 -3.328 1.00 0.94 H new ATOM 0 HD22 LEU A 19 3.375 5.061 -4.854 1.00 0.94 H new ATOM 0 HD23 LEU A 19 3.320 6.476 -3.776 1.00 0.94 H new ATOM 264 N ALA A 20 -2.018 7.188 -2.991 1.00 0.54 N ATOM 265 CA ALA A 20 -3.377 7.455 -3.454 1.00 0.64 C ATOM 266 C ALA A 20 -3.443 8.720 -4.303 1.00 0.78 C ATOM 267 O ALA A 20 -4.514 9.106 -4.768 1.00 1.59 O ATOM 268 CB ALA A 20 -4.329 7.567 -2.274 1.00 0.76 C ATOM 0 H ALA A 20 -1.883 7.302 -1.986 1.00 0.54 H new ATOM 0 HA ALA A 20 -3.681 6.616 -4.079 1.00 0.64 H new ATOM 0 HB1 ALA A 20 -5.337 7.766 -2.637 1.00 0.76 H new ATOM 0 HB2 ALA A 20 -4.324 6.633 -1.712 1.00 0.76 H new ATOM 0 HB3 ALA A 20 -4.010 8.382 -1.625 1.00 0.76 H new ATOM 274 N GLN A 21 -2.298 9.363 -4.504 1.00 0.71 N ATOM 275 CA GLN A 21 -2.244 10.583 -5.303 1.00 0.81 C ATOM 276 C GLN A 21 -2.412 10.274 -6.788 1.00 1.05 C ATOM 277 O GLN A 21 -2.419 11.180 -7.621 1.00 1.54 O ATOM 278 CB GLN A 21 -0.926 11.322 -5.072 1.00 1.12 C ATOM 279 CG GLN A 21 0.305 10.460 -5.290 1.00 1.08 C ATOM 280 CD GLN A 21 1.501 11.266 -5.756 1.00 1.24 C ATOM 281 OE1 GLN A 21 2.689 10.874 -5.315 1.00 1.87 O flip ATOM 282 NE2 GLN A 21 1.357 12.240 -6.495 1.00 1.21 N flip ATOM 0 H GLN A 21 -1.399 9.062 -4.127 1.00 0.71 H new ATOM 0 HA GLN A 21 -3.068 11.223 -4.987 1.00 0.81 H new ATOM 0 HB2 GLN A 21 -0.880 12.181 -5.741 1.00 1.12 H new ATOM 0 HB3 GLN A 21 -0.911 11.710 -4.053 1.00 1.12 H new ATOM 0 HG2 GLN A 21 0.555 9.948 -4.361 1.00 1.08 H new ATOM 0 HG3 GLN A 21 0.080 9.690 -6.028 1.00 1.08 H new ATOM 0 HE21 GLN A 21 0.425 12.507 -6.811 1.00 1.21 H new ATOM 0 HE22 GLN A 21 2.170 12.780 -6.791 1.00 1.21 H new ATOM 404 N ILE A 30 -2.398 15.169 -1.261 1.00 1.02 N ATOM 405 CA ILE A 30 -1.524 14.014 -1.421 1.00 0.84 C ATOM 406 C ILE A 30 -0.737 14.096 -2.730 1.00 0.87 C ATOM 407 O ILE A 30 -1.311 14.262 -3.807 1.00 1.18 O ATOM 408 CB ILE A 30 -2.325 12.695 -1.370 1.00 0.87 C ATOM 409 CG1 ILE A 30 -1.379 11.493 -1.363 1.00 0.77 C ATOM 410 CG2 ILE A 30 -3.304 12.605 -2.533 1.00 1.08 C ATOM 411 CD1 ILE A 30 -0.661 11.303 -0.043 1.00 0.75 C ATOM 0 HA ILE A 30 -0.819 14.023 -0.589 1.00 0.84 H new ATOM 0 HB ILE A 30 -2.902 12.684 -0.445 1.00 0.87 H new ATOM 0 HG12 ILE A 30 -1.947 10.591 -1.593 1.00 0.77 H new ATOM 0 HG13 ILE A 30 -0.641 11.616 -2.156 1.00 0.77 H new ATOM 0 HG21 ILE A 30 -3.855 11.666 -2.473 1.00 1.08 H new ATOM 0 HG22 ILE A 30 -4.003 13.440 -2.486 1.00 1.08 H new ATOM 0 HG23 ILE A 30 -2.756 12.644 -3.474 1.00 1.08 H new ATOM 0 HD11 ILE A 30 -0.006 10.434 -0.107 1.00 0.75 H new ATOM 0 HD12 ILE A 30 -0.067 12.189 0.179 1.00 0.75 H new ATOM 0 HD13 ILE A 30 -1.393 11.149 0.750 1.00 0.75 H new ATOM 423 N THR A 31 0.583 13.995 -2.623 1.00 0.88 N ATOM 424 CA THR A 31 1.455 14.055 -3.791 1.00 0.97 C ATOM 425 C THR A 31 2.717 13.227 -3.562 1.00 0.86 C ATOM 426 O THR A 31 2.750 12.369 -2.681 1.00 0.78 O ATOM 427 CB THR A 31 1.833 15.513 -4.143 1.00 1.07 C ATOM 428 OG1 THR A 31 2.459 15.564 -5.431 1.00 1.72 O ATOM 429 CG2 THR A 31 2.764 16.113 -3.102 1.00 1.06 C ATOM 0 H THR A 31 1.074 13.871 -1.738 1.00 0.88 H new ATOM 0 HA THR A 31 0.904 13.637 -4.633 1.00 0.97 H new ATOM 0 HB THR A 31 0.914 16.098 -4.159 1.00 1.07 H new ATOM 0 HG1 THR A 31 3.309 16.048 -5.363 1.00 1.72 H new ATOM 0 HG21 THR A 31 3.009 17.138 -3.381 1.00 1.06 H new ATOM 0 HG22 THR A 31 2.273 16.109 -2.129 1.00 1.06 H new ATOM 0 HG23 THR A 31 3.679 15.523 -3.049 1.00 1.06 H new ATOM 437 N GLU A 32 3.752 13.481 -4.356 1.00 0.93 N ATOM 438 CA GLU A 32 5.003 12.742 -4.236 1.00 0.95 C ATOM 439 C GLU A 32 5.726 13.058 -2.933 1.00 0.84 C ATOM 440 O GLU A 32 6.179 12.154 -2.232 1.00 0.91 O ATOM 441 CB GLU A 32 5.914 13.042 -5.428 1.00 1.15 C ATOM 442 CG GLU A 32 5.328 12.618 -6.764 1.00 1.47 C ATOM 443 CD GLU A 32 6.250 12.926 -7.928 1.00 1.59 C ATOM 444 OE1 GLU A 32 7.079 12.059 -8.276 1.00 1.56 O ATOM 445 OE2 GLU A 32 6.142 14.035 -8.492 1.00 1.98 O ATOM 0 H GLU A 32 3.749 14.191 -5.088 1.00 0.93 H new ATOM 0 HA GLU A 32 4.756 11.680 -4.229 1.00 0.95 H new ATOM 0 HB2 GLU A 32 6.122 14.112 -5.455 1.00 1.15 H new ATOM 0 HB3 GLU A 32 6.868 12.535 -5.282 1.00 1.15 H new ATOM 0 HG2 GLU A 32 5.120 11.548 -6.743 1.00 1.47 H new ATOM 0 HG3 GLU A 32 4.375 13.125 -6.916 1.00 1.47 H new ATOM 452 N GLU A 33 5.832 14.340 -2.612 1.00 0.80 N ATOM 453 CA GLU A 33 6.511 14.763 -1.395 1.00 0.79 C ATOM 454 C GLU A 33 5.792 14.252 -0.151 1.00 0.64 C ATOM 455 O GLU A 33 6.413 14.050 0.894 1.00 0.70 O ATOM 456 CB GLU A 33 6.610 16.291 -1.340 1.00 0.97 C ATOM 457 CG GLU A 33 7.451 16.897 -2.453 1.00 1.63 C ATOM 458 CD GLU A 33 6.810 16.756 -3.820 1.00 2.05 C ATOM 459 OE1 GLU A 33 5.918 17.569 -4.144 1.00 2.64 O ATOM 460 OE2 GLU A 33 7.198 15.832 -4.565 1.00 2.36 O ATOM 0 H GLU A 33 5.458 15.103 -3.176 1.00 0.80 H new ATOM 0 HA GLU A 33 7.514 14.336 -1.413 1.00 0.79 H new ATOM 0 HB2 GLU A 33 5.606 16.712 -1.387 1.00 0.97 H new ATOM 0 HB3 GLU A 33 7.033 16.583 -0.379 1.00 0.97 H new ATOM 0 HG2 GLU A 33 7.617 17.953 -2.242 1.00 1.63 H new ATOM 0 HG3 GLU A 33 8.430 16.417 -2.465 1.00 1.63 H new ATOM 467 N LEU A 34 4.483 14.041 -0.262 1.00 0.54 N ATOM 468 CA LEU A 34 3.691 13.580 0.858 1.00 0.49 C ATOM 469 C LEU A 34 3.724 12.065 1.022 1.00 0.43 C ATOM 470 O LEU A 34 3.953 11.574 2.121 1.00 0.46 O ATOM 471 CB LEU A 34 2.255 14.060 0.695 1.00 0.57 C ATOM 472 CG LEU A 34 2.097 15.536 0.355 1.00 0.91 C ATOM 473 CD1 LEU A 34 0.681 16.009 0.644 1.00 1.75 C ATOM 474 CD2 LEU A 34 3.107 16.367 1.121 1.00 1.48 C ATOM 0 H LEU A 34 3.954 14.185 -1.122 1.00 0.54 H new ATOM 0 HA LEU A 34 4.129 14.001 1.763 1.00 0.49 H new ATOM 0 HB2 LEU A 34 1.779 13.471 -0.089 1.00 0.57 H new ATOM 0 HB3 LEU A 34 1.714 13.857 1.619 1.00 0.57 H new ATOM 0 HG LEU A 34 2.284 15.664 -0.711 1.00 0.91 H new ATOM 0 HD11 LEU A 34 0.592 17.066 0.393 1.00 1.75 H new ATOM 0 HD12 LEU A 34 -0.024 15.433 0.045 1.00 1.75 H new ATOM 0 HD13 LEU A 34 0.459 15.867 1.702 1.00 1.75 H new ATOM 0 HD21 LEU A 34 2.980 17.419 0.866 1.00 1.48 H new ATOM 0 HD22 LEU A 34 2.953 16.232 2.191 1.00 1.48 H new ATOM 0 HD23 LEU A 34 4.115 16.049 0.857 1.00 1.48 H new ATOM 486 N LEU A 35 3.492 11.327 -0.061 1.00 0.45 N ATOM 487 CA LEU A 35 3.487 9.866 0.008 1.00 0.49 C ATOM 488 C LEU A 35 4.667 9.359 0.834 1.00 0.43 C ATOM 489 O LEU A 35 4.561 8.358 1.542 1.00 0.50 O ATOM 490 CB LEU A 35 3.502 9.247 -1.400 1.00 0.63 C ATOM 491 CG LEU A 35 4.874 9.149 -2.080 1.00 0.64 C ATOM 492 CD1 LEU A 35 5.584 7.861 -1.687 1.00 0.89 C ATOM 493 CD2 LEU A 35 4.722 9.222 -3.589 1.00 1.08 C ATOM 0 H LEU A 35 3.307 11.710 -0.988 1.00 0.45 H new ATOM 0 HA LEU A 35 2.566 9.556 0.502 1.00 0.49 H new ATOM 0 HB2 LEU A 35 3.077 8.245 -1.339 1.00 0.63 H new ATOM 0 HB3 LEU A 35 2.843 9.834 -2.040 1.00 0.63 H new ATOM 0 HG LEU A 35 5.479 9.991 -1.745 1.00 0.64 H new ATOM 0 HD11 LEU A 35 6.554 7.815 -2.182 1.00 0.89 H new ATOM 0 HD12 LEU A 35 5.726 7.839 -0.607 1.00 0.89 H new ATOM 0 HD13 LEU A 35 4.981 7.006 -1.991 1.00 0.89 H new ATOM 0 HD21 LEU A 35 5.704 9.151 -4.057 1.00 1.08 H new ATOM 0 HD22 LEU A 35 4.096 8.398 -3.932 1.00 1.08 H new ATOM 0 HD23 LEU A 35 4.257 10.169 -3.862 1.00 1.08 H new ATOM 505 N ARG A 36 5.787 10.063 0.735 1.00 0.38 N ATOM 506 CA ARG A 36 6.993 9.705 1.469 1.00 0.38 C ATOM 507 C ARG A 36 6.957 10.243 2.899 1.00 0.34 C ATOM 508 O ARG A 36 7.051 9.486 3.864 1.00 0.37 O ATOM 509 CB ARG A 36 8.220 10.248 0.736 1.00 0.46 C ATOM 510 CG ARG A 36 9.438 10.437 1.626 1.00 1.18 C ATOM 511 CD ARG A 36 10.498 11.279 0.936 1.00 1.73 C ATOM 512 NE ARG A 36 11.555 11.689 1.857 1.00 2.64 N ATOM 513 CZ ARG A 36 12.133 12.887 1.834 1.00 3.41 C ATOM 514 NH1 ARG A 36 11.749 13.795 0.945 1.00 3.46 N ATOM 515 NH2 ARG A 36 13.092 13.180 2.701 1.00 4.28 N ATOM 0 H ARG A 36 5.885 10.892 0.149 1.00 0.38 H new ATOM 0 HA ARG A 36 7.049 8.618 1.523 1.00 0.38 H new ATOM 0 HB2 ARG A 36 8.477 9.566 -0.075 1.00 0.46 H new ATOM 0 HB3 ARG A 36 7.964 11.204 0.280 1.00 0.46 H new ATOM 0 HG2 ARG A 36 9.139 10.916 2.558 1.00 1.18 H new ATOM 0 HG3 ARG A 36 9.855 9.464 1.887 1.00 1.18 H new ATOM 0 HD2 ARG A 36 10.933 10.711 0.114 1.00 1.73 H new ATOM 0 HD3 ARG A 36 10.032 12.164 0.501 1.00 1.73 H new ATOM 0 HE ARG A 36 11.868 11.018 2.558 1.00 2.64 H new ATOM 0 HH11 ARG A 36 11.009 13.575 0.278 1.00 3.46 H new ATOM 0 HH12 ARG A 36 12.193 14.713 0.929 1.00 3.46 H new ATOM 0 HH21 ARG A 36 13.388 12.486 3.388 1.00 4.28 H new ATOM 0 HH22 ARG A 36 13.534 14.099 2.681 1.00 4.28 H new ATOM 529 N SER A 37 6.827 11.560 3.016 1.00 0.36 N ATOM 530 CA SER A 37 6.805 12.230 4.314 1.00 0.40 C ATOM 531 C SER A 37 5.677 11.730 5.218 1.00 0.40 C ATOM 532 O SER A 37 5.734 11.905 6.436 1.00 0.46 O ATOM 533 CB SER A 37 6.673 13.741 4.119 1.00 0.47 C ATOM 534 OG SER A 37 7.767 14.256 3.379 1.00 1.33 O ATOM 0 H SER A 37 6.734 12.191 2.220 1.00 0.36 H new ATOM 0 HA SER A 37 7.747 11.994 4.809 1.00 0.40 H new ATOM 0 HB2 SER A 37 5.741 13.964 3.600 1.00 0.47 H new ATOM 0 HB3 SER A 37 6.622 14.233 5.090 1.00 0.47 H new ATOM 0 HG SER A 37 7.534 14.285 2.428 1.00 1.33 H new ATOM 540 N GLN A 38 4.657 11.114 4.632 1.00 0.36 N ATOM 541 CA GLN A 38 3.527 10.623 5.410 1.00 0.39 C ATOM 542 C GLN A 38 3.749 9.188 5.876 1.00 0.43 C ATOM 543 O GLN A 38 2.993 8.677 6.701 1.00 0.67 O ATOM 544 CB GLN A 38 2.237 10.714 4.591 1.00 0.42 C ATOM 545 CG GLN A 38 1.859 12.136 4.203 1.00 0.74 C ATOM 546 CD GLN A 38 0.472 12.225 3.595 1.00 1.11 C ATOM 547 OE1 GLN A 38 0.000 11.284 2.957 1.00 1.74 O ATOM 548 NE2 GLN A 38 -0.189 13.359 3.792 1.00 1.84 N ATOM 0 H GLN A 38 4.589 10.944 3.629 1.00 0.36 H new ATOM 0 HA GLN A 38 3.436 11.254 6.294 1.00 0.39 H new ATOM 0 HB2 GLN A 38 2.349 10.117 3.686 1.00 0.42 H new ATOM 0 HB3 GLN A 38 1.421 10.274 5.164 1.00 0.42 H new ATOM 0 HG2 GLN A 38 1.907 12.774 5.085 1.00 0.74 H new ATOM 0 HG3 GLN A 38 2.589 12.521 3.491 1.00 0.74 H new ATOM 0 HE21 GLN A 38 0.241 14.113 4.327 1.00 1.84 H new ATOM 0 HE22 GLN A 38 -1.127 13.476 3.408 1.00 1.84 H new ATOM 557 N LEU A 39 4.789 8.543 5.353 1.00 0.41 N ATOM 558 CA LEU A 39 5.088 7.164 5.726 1.00 0.53 C ATOM 559 C LEU A 39 6.586 6.934 5.916 1.00 0.51 C ATOM 560 O LEU A 39 7.045 6.736 7.040 1.00 0.61 O ATOM 561 CB LEU A 39 4.534 6.202 4.676 1.00 0.69 C ATOM 562 CG LEU A 39 3.015 6.242 4.509 1.00 0.78 C ATOM 563 CD1 LEU A 39 2.584 5.320 3.387 1.00 1.09 C ATOM 564 CD2 LEU A 39 2.322 5.856 5.806 1.00 1.07 C ATOM 0 H LEU A 39 5.434 8.949 4.675 1.00 0.41 H new ATOM 0 HA LEU A 39 4.604 6.971 6.684 1.00 0.53 H new ATOM 0 HB2 LEU A 39 4.997 6.428 3.716 1.00 0.69 H new ATOM 0 HB3 LEU A 39 4.830 5.187 4.941 1.00 0.69 H new ATOM 0 HG LEU A 39 2.724 7.261 4.255 1.00 0.78 H new ATOM 0 HD11 LEU A 39 1.500 5.359 3.280 1.00 1.09 H new ATOM 0 HD12 LEU A 39 3.052 5.637 2.455 1.00 1.09 H new ATOM 0 HD13 LEU A 39 2.889 4.299 3.617 1.00 1.09 H new ATOM 0 HD21 LEU A 39 1.242 5.891 5.666 1.00 1.07 H new ATOM 0 HD22 LEU A 39 2.619 4.846 6.091 1.00 1.07 H new ATOM 0 HD23 LEU A 39 2.608 6.554 6.593 1.00 1.07 H new ATOM 576 N TYR A 40 7.348 6.952 4.821 1.00 0.46 N ATOM 577 CA TYR A 40 8.792 6.738 4.906 1.00 0.48 C ATOM 578 C TYR A 40 9.581 7.995 4.541 1.00 0.42 C ATOM 579 O TYR A 40 10.117 8.100 3.439 1.00 0.46 O ATOM 580 CB TYR A 40 9.235 5.568 4.015 1.00 0.58 C ATOM 581 CG TYR A 40 8.442 5.391 2.735 1.00 0.63 C ATOM 582 CD1 TYR A 40 8.238 6.463 1.873 1.00 0.89 C ATOM 583 CD2 TYR A 40 7.875 4.169 2.400 1.00 0.99 C ATOM 584 CE1 TYR A 40 7.499 6.319 0.716 1.00 1.30 C ATOM 585 CE2 TYR A 40 7.133 4.018 1.246 1.00 1.38 C ATOM 586 CZ TYR A 40 7.027 5.041 0.365 1.00 1.48 C ATOM 587 OH TYR A 40 6.205 4.947 -0.742 1.00 1.97 O ATOM 0 H TYR A 40 6.995 7.110 3.877 1.00 0.46 H new ATOM 0 HA TYR A 40 9.009 6.493 5.946 1.00 0.48 H new ATOM 0 HB2 TYR A 40 10.285 5.707 3.756 1.00 0.58 H new ATOM 0 HB3 TYR A 40 9.169 4.647 4.594 1.00 0.58 H new ATOM 0 HD1 TYR A 40 8.665 7.425 2.113 1.00 0.89 H new ATOM 0 HD2 TYR A 40 8.017 3.321 3.054 1.00 0.99 H new ATOM 0 HE1 TYR A 40 7.287 7.173 0.090 1.00 1.30 H new ATOM 0 HE2 TYR A 40 6.635 3.081 1.045 1.00 1.38 H new ATOM 0 HH TYR A 40 6.620 4.360 -1.409 1.00 1.97 H new ATOM 597 N PRO A 41 9.684 8.965 5.470 1.00 0.47 N ATOM 598 CA PRO A 41 10.425 10.207 5.227 1.00 0.51 C ATOM 599 C PRO A 41 11.918 9.953 5.048 1.00 0.57 C ATOM 600 O PRO A 41 12.688 10.873 4.775 1.00 0.79 O ATOM 601 CB PRO A 41 10.168 11.036 6.488 1.00 0.66 C ATOM 602 CG PRO A 41 9.811 10.040 7.536 1.00 0.75 C ATOM 603 CD PRO A 41 9.097 8.928 6.822 1.00 0.62 C ATOM 0 HA PRO A 41 10.104 10.703 4.311 1.00 0.51 H new ATOM 0 HB2 PRO A 41 11.051 11.608 6.771 1.00 0.66 H new ATOM 0 HB3 PRO A 41 9.361 11.752 6.332 1.00 0.66 H new ATOM 0 HG2 PRO A 41 10.702 9.670 8.043 1.00 0.75 H new ATOM 0 HG3 PRO A 41 9.173 10.487 8.299 1.00 0.75 H new ATOM 0 HD2 PRO A 41 9.263 7.966 7.307 1.00 0.62 H new ATOM 0 HD3 PRO A 41 8.020 9.091 6.798 1.00 0.62 H new ATOM 611 N GLU A 42 12.318 8.694 5.206 1.00 0.48 N ATOM 612 CA GLU A 42 13.716 8.308 5.061 1.00 0.55 C ATOM 613 C GLU A 42 14.098 8.172 3.590 1.00 0.57 C ATOM 614 O GLU A 42 15.128 8.689 3.159 1.00 0.71 O ATOM 615 CB GLU A 42 13.984 6.994 5.798 1.00 0.59 C ATOM 616 CG GLU A 42 13.008 5.885 5.442 1.00 0.58 C ATOM 617 CD GLU A 42 12.375 5.254 6.666 1.00 0.72 C ATOM 618 OE1 GLU A 42 12.980 4.321 7.233 1.00 0.94 O ATOM 619 OE2 GLU A 42 11.274 5.695 7.057 1.00 0.87 O ATOM 0 H GLU A 42 11.691 7.923 5.435 1.00 0.48 H new ATOM 0 HA GLU A 42 14.330 9.094 5.501 1.00 0.55 H new ATOM 0 HB2 GLU A 42 14.997 6.661 5.572 1.00 0.59 H new ATOM 0 HB3 GLU A 42 13.940 7.174 6.872 1.00 0.59 H new ATOM 0 HG2 GLU A 42 12.225 6.287 4.799 1.00 0.58 H new ATOM 0 HG3 GLU A 42 13.528 5.117 4.869 1.00 0.58 H new ATOM 626 N VAL A 43 13.261 7.479 2.821 1.00 0.52 N ATOM 627 CA VAL A 43 13.523 7.288 1.399 1.00 0.60 C ATOM 628 C VAL A 43 12.905 8.423 0.581 1.00 0.51 C ATOM 629 O VAL A 43 11.718 8.708 0.717 1.00 0.52 O ATOM 630 CB VAL A 43 12.970 5.937 0.896 1.00 0.74 C ATOM 631 CG1 VAL A 43 11.470 5.851 1.113 1.00 0.90 C ATOM 632 CG2 VAL A 43 13.307 5.737 -0.573 1.00 0.99 C ATOM 0 H VAL A 43 12.402 7.044 3.157 1.00 0.52 H new ATOM 0 HA VAL A 43 14.605 7.290 1.268 1.00 0.60 H new ATOM 0 HB VAL A 43 13.443 5.142 1.472 1.00 0.74 H new ATOM 0 HG11 VAL A 43 11.104 4.890 0.751 1.00 0.90 H new ATOM 0 HG12 VAL A 43 11.250 5.945 2.176 1.00 0.90 H new ATOM 0 HG13 VAL A 43 10.977 6.656 0.568 1.00 0.90 H new ATOM 0 HG21 VAL A 43 12.910 4.780 -0.910 1.00 0.99 H new ATOM 0 HG22 VAL A 43 12.864 6.541 -1.161 1.00 0.99 H new ATOM 0 HG23 VAL A 43 14.389 5.746 -0.703 1.00 0.99 H new ATOM 642 N PRO A 44 13.698 9.087 -0.284 1.00 0.56 N ATOM 643 CA PRO A 44 13.207 10.198 -1.110 1.00 0.54 C ATOM 644 C PRO A 44 12.008 9.799 -1.971 1.00 0.54 C ATOM 645 O PRO A 44 11.780 8.613 -2.211 1.00 0.60 O ATOM 646 CB PRO A 44 14.406 10.556 -1.999 1.00 0.64 C ATOM 647 CG PRO A 44 15.322 9.385 -1.910 1.00 0.67 C ATOM 648 CD PRO A 44 15.119 8.811 -0.541 1.00 0.76 C ATOM 0 HA PRO A 44 12.856 11.028 -0.496 1.00 0.54 H new ATOM 0 HB2 PRO A 44 14.094 10.734 -3.028 1.00 0.64 H new ATOM 0 HB3 PRO A 44 14.896 11.466 -1.652 1.00 0.64 H new ATOM 0 HG2 PRO A 44 15.092 8.649 -2.681 1.00 0.67 H new ATOM 0 HG3 PRO A 44 16.359 9.687 -2.057 1.00 0.67 H new ATOM 0 HD2 PRO A 44 15.336 7.743 -0.513 1.00 0.76 H new ATOM 0 HD3 PRO A 44 15.764 9.287 0.198 1.00 0.76 H new ATOM 656 N PRO A 45 11.222 10.787 -2.445 1.00 0.56 N ATOM 657 CA PRO A 45 10.046 10.536 -3.287 1.00 0.67 C ATOM 658 C PRO A 45 10.424 10.071 -4.693 1.00 0.77 C ATOM 659 O PRO A 45 9.666 10.267 -5.644 1.00 1.08 O ATOM 660 CB PRO A 45 9.345 11.904 -3.352 1.00 0.72 C ATOM 661 CG PRO A 45 9.986 12.726 -2.287 1.00 0.63 C ATOM 662 CD PRO A 45 11.394 12.223 -2.192 1.00 0.56 C ATOM 0 HA PRO A 45 9.422 9.741 -2.878 1.00 0.67 H new ATOM 0 HB2 PRO A 45 9.470 12.364 -4.332 1.00 0.72 H new ATOM 0 HB3 PRO A 45 8.273 11.805 -3.181 1.00 0.72 H new ATOM 0 HG2 PRO A 45 9.963 13.786 -2.541 1.00 0.63 H new ATOM 0 HG3 PRO A 45 9.464 12.615 -1.337 1.00 0.63 H new ATOM 0 HD2 PRO A 45 12.046 12.692 -2.929 1.00 0.56 H new ATOM 0 HD3 PRO A 45 11.831 12.415 -1.212 1.00 0.56 H new ATOM 670 N GLU A 46 11.598 9.457 -4.820 1.00 0.65 N ATOM 671 CA GLU A 46 12.072 8.965 -6.108 1.00 0.77 C ATOM 672 C GLU A 46 12.616 7.544 -5.982 1.00 0.71 C ATOM 673 O GLU A 46 12.482 6.734 -6.901 1.00 0.81 O ATOM 674 CB GLU A 46 13.161 9.888 -6.659 1.00 0.92 C ATOM 675 CG GLU A 46 13.611 9.528 -8.066 1.00 1.61 C ATOM 676 CD GLU A 46 14.781 10.369 -8.537 1.00 2.17 C ATOM 677 OE1 GLU A 46 14.555 11.528 -8.942 1.00 2.25 O ATOM 678 OE2 GLU A 46 15.924 9.867 -8.500 1.00 3.02 O ATOM 0 H GLU A 46 12.238 9.289 -4.044 1.00 0.65 H new ATOM 0 HA GLU A 46 11.227 8.954 -6.797 1.00 0.77 H new ATOM 0 HB2 GLU A 46 12.792 10.914 -6.656 1.00 0.92 H new ATOM 0 HB3 GLU A 46 14.023 9.858 -5.992 1.00 0.92 H new ATOM 0 HG2 GLU A 46 13.890 8.475 -8.096 1.00 1.61 H new ATOM 0 HG3 GLU A 46 12.776 9.656 -8.755 1.00 1.61 H new ATOM 685 N GLU A 47 13.230 7.245 -4.840 1.00 0.63 N ATOM 686 CA GLU A 47 13.796 5.922 -4.596 1.00 0.66 C ATOM 687 C GLU A 47 12.750 4.974 -4.021 1.00 0.55 C ATOM 688 O GLU A 47 13.070 3.861 -3.605 1.00 0.59 O ATOM 689 CB GLU A 47 14.990 6.015 -3.645 1.00 0.81 C ATOM 690 CG GLU A 47 16.175 6.768 -4.228 1.00 1.25 C ATOM 691 CD GLU A 47 17.412 6.671 -3.357 1.00 1.42 C ATOM 692 OE1 GLU A 47 18.116 5.643 -3.439 1.00 1.62 O ATOM 693 OE2 GLU A 47 17.676 7.620 -2.590 1.00 1.58 O ATOM 0 H GLU A 47 13.348 7.902 -4.069 1.00 0.63 H new ATOM 0 HA GLU A 47 14.133 5.525 -5.553 1.00 0.66 H new ATOM 0 HB2 GLU A 47 14.674 6.508 -2.725 1.00 0.81 H new ATOM 0 HB3 GLU A 47 15.308 5.008 -3.374 1.00 0.81 H new ATOM 0 HG2 GLU A 47 16.400 6.373 -5.218 1.00 1.25 H new ATOM 0 HG3 GLU A 47 15.907 7.817 -4.357 1.00 1.25 H new ATOM 700 N PHE A 48 11.502 5.425 -3.989 1.00 0.48 N ATOM 701 CA PHE A 48 10.412 4.610 -3.469 1.00 0.45 C ATOM 702 C PHE A 48 9.967 3.578 -4.498 1.00 0.41 C ATOM 703 O PHE A 48 9.483 2.506 -4.144 1.00 0.45 O ATOM 704 CB PHE A 48 9.227 5.497 -3.072 1.00 0.54 C ATOM 705 CG PHE A 48 8.477 6.067 -4.243 1.00 1.39 C ATOM 706 CD1 PHE A 48 9.038 7.060 -5.031 1.00 2.39 C ATOM 707 CD2 PHE A 48 7.208 5.607 -4.556 1.00 1.41 C ATOM 708 CE1 PHE A 48 8.348 7.582 -6.108 1.00 3.37 C ATOM 709 CE2 PHE A 48 6.512 6.126 -5.631 1.00 2.36 C ATOM 710 CZ PHE A 48 7.083 7.115 -6.409 1.00 3.35 C ATOM 0 H PHE A 48 11.220 6.349 -4.316 1.00 0.48 H new ATOM 0 HA PHE A 48 10.774 4.084 -2.586 1.00 0.45 H new ATOM 0 HB2 PHE A 48 8.538 4.915 -2.460 1.00 0.54 H new ATOM 0 HB3 PHE A 48 9.590 6.316 -2.451 1.00 0.54 H new ATOM 0 HD1 PHE A 48 10.026 7.430 -4.800 1.00 2.39 H new ATOM 0 HD2 PHE A 48 6.757 4.833 -3.952 1.00 1.41 H new ATOM 0 HE1 PHE A 48 8.797 8.355 -6.714 1.00 3.37 H new ATOM 0 HE2 PHE A 48 5.523 5.759 -5.863 1.00 2.36 H new ATOM 0 HZ PHE A 48 6.542 7.522 -7.250 1.00 3.35 H new ATOM 720 N ARG A 49 10.151 3.908 -5.773 1.00 0.43 N ATOM 721 CA ARG A 49 9.748 3.026 -6.866 1.00 0.47 C ATOM 722 C ARG A 49 10.407 1.642 -6.784 1.00 0.49 C ATOM 723 O ARG A 49 9.709 0.629 -6.833 1.00 0.52 O ATOM 724 CB ARG A 49 10.058 3.677 -8.218 1.00 0.58 C ATOM 725 CG ARG A 49 9.061 3.314 -9.308 1.00 1.06 C ATOM 726 CD ARG A 49 7.682 3.884 -9.011 1.00 1.14 C ATOM 727 NE ARG A 49 6.672 3.389 -9.941 1.00 1.80 N ATOM 728 CZ ARG A 49 5.366 3.582 -9.780 1.00 2.30 C ATOM 729 NH1 ARG A 49 4.915 4.259 -8.733 1.00 2.42 N ATOM 730 NH2 ARG A 49 4.509 3.097 -10.669 1.00 3.07 N ATOM 0 H ARG A 49 10.578 4.783 -6.076 1.00 0.43 H new ATOM 0 HA ARG A 49 8.673 2.876 -6.770 1.00 0.47 H new ATOM 0 HB2 ARG A 49 10.073 4.760 -8.096 1.00 0.58 H new ATOM 0 HB3 ARG A 49 11.057 3.378 -8.536 1.00 0.58 H new ATOM 0 HG2 ARG A 49 9.414 3.693 -10.267 1.00 1.06 H new ATOM 0 HG3 ARG A 49 8.997 2.230 -9.398 1.00 1.06 H new ATOM 0 HD2 ARG A 49 7.394 3.624 -7.992 1.00 1.14 H new ATOM 0 HD3 ARG A 49 7.721 4.972 -9.064 1.00 1.14 H new ATOM 0 HE ARG A 49 6.985 2.866 -10.759 1.00 1.80 H new ATOM 0 HH11 ARG A 49 5.570 4.634 -8.047 1.00 2.42 H new ATOM 0 HH12 ARG A 49 3.913 4.405 -8.613 1.00 2.42 H new ATOM 0 HH21 ARG A 49 4.852 2.576 -11.476 1.00 3.07 H new ATOM 0 HH22 ARG A 49 3.507 3.245 -10.545 1.00 3.07 H new ATOM 744 N PRO A 50 11.752 1.565 -6.662 1.00 0.52 N ATOM 745 CA PRO A 50 12.457 0.278 -6.590 1.00 0.59 C ATOM 746 C PRO A 50 11.913 -0.624 -5.489 1.00 0.58 C ATOM 747 O PRO A 50 11.845 -1.842 -5.653 1.00 0.68 O ATOM 748 CB PRO A 50 13.915 0.661 -6.303 1.00 0.63 C ATOM 749 CG PRO A 50 13.881 2.096 -5.897 1.00 0.58 C ATOM 750 CD PRO A 50 12.689 2.696 -6.582 1.00 0.54 C ATOM 0 HA PRO A 50 12.336 -0.293 -7.511 1.00 0.59 H new ATOM 0 HB2 PRO A 50 14.335 0.040 -5.512 1.00 0.63 H new ATOM 0 HB3 PRO A 50 14.539 0.518 -7.185 1.00 0.63 H new ATOM 0 HG2 PRO A 50 13.797 2.192 -4.814 1.00 0.58 H new ATOM 0 HG3 PRO A 50 14.798 2.606 -6.193 1.00 0.58 H new ATOM 0 HD2 PRO A 50 12.272 3.527 -6.013 1.00 0.54 H new ATOM 0 HD3 PRO A 50 12.942 3.081 -7.570 1.00 0.54 H new ATOM 758 N PHE A 51 11.527 -0.027 -4.368 1.00 0.49 N ATOM 759 CA PHE A 51 10.978 -0.792 -3.256 1.00 0.51 C ATOM 760 C PHE A 51 9.474 -0.955 -3.422 1.00 0.45 C ATOM 761 O PHE A 51 8.856 -1.818 -2.797 1.00 0.52 O ATOM 762 CB PHE A 51 11.299 -0.116 -1.921 1.00 0.60 C ATOM 763 CG PHE A 51 12.116 -0.979 -1.002 1.00 0.99 C ATOM 764 CD1 PHE A 51 13.496 -1.035 -1.125 1.00 1.44 C ATOM 765 CD2 PHE A 51 11.505 -1.729 -0.009 1.00 1.29 C ATOM 766 CE1 PHE A 51 14.250 -1.826 -0.278 1.00 2.02 C ATOM 767 CE2 PHE A 51 12.254 -2.520 0.842 1.00 1.88 C ATOM 768 CZ PHE A 51 13.629 -2.584 0.691 1.00 2.20 C ATOM 0 H PHE A 51 11.583 0.978 -4.205 1.00 0.49 H new ATOM 0 HA PHE A 51 11.439 -1.779 -3.256 1.00 0.51 H new ATOM 0 HB2 PHE A 51 11.838 0.812 -2.111 1.00 0.60 H new ATOM 0 HB3 PHE A 51 10.367 0.152 -1.424 1.00 0.60 H new ATOM 0 HD1 PHE A 51 13.988 -0.454 -1.891 1.00 1.44 H new ATOM 0 HD2 PHE A 51 10.431 -1.695 0.101 1.00 1.29 H new ATOM 0 HE1 PHE A 51 15.325 -1.850 -0.376 1.00 2.02 H new ATOM 0 HE2 PHE A 51 11.768 -3.087 1.623 1.00 1.88 H new ATOM 0 HZ PHE A 51 14.214 -3.227 1.332 1.00 2.20 H new ATOM 778 N LEU A 52 8.892 -0.115 -4.274 1.00 0.40 N ATOM 779 CA LEU A 52 7.466 -0.165 -4.545 1.00 0.43 C ATOM 780 C LEU A 52 7.168 -1.217 -5.601 1.00 0.44 C ATOM 781 O LEU A 52 6.018 -1.593 -5.804 1.00 0.50 O ATOM 782 CB LEU A 52 6.958 1.199 -5.015 1.00 0.55 C ATOM 783 CG LEU A 52 5.462 1.438 -4.816 1.00 0.56 C ATOM 784 CD1 LEU A 52 5.113 1.413 -3.338 1.00 1.33 C ATOM 785 CD2 LEU A 52 5.050 2.762 -5.440 1.00 1.15 C ATOM 0 H LEU A 52 9.392 0.610 -4.788 1.00 0.40 H new ATOM 0 HA LEU A 52 6.952 -0.430 -3.621 1.00 0.43 H new ATOM 0 HB2 LEU A 52 7.508 1.976 -4.485 1.00 0.55 H new ATOM 0 HB3 LEU A 52 7.190 1.310 -6.074 1.00 0.55 H new ATOM 0 HG LEU A 52 4.913 0.637 -5.312 1.00 0.56 H new ATOM 0 HD11 LEU A 52 4.044 1.585 -3.214 1.00 1.33 H new ATOM 0 HD12 LEU A 52 5.376 0.442 -2.919 1.00 1.33 H new ATOM 0 HD13 LEU A 52 5.669 2.194 -2.820 1.00 1.33 H new ATOM 0 HD21 LEU A 52 3.982 2.918 -5.290 1.00 1.15 H new ATOM 0 HD22 LEU A 52 5.605 3.574 -4.970 1.00 1.15 H new ATOM 0 HD23 LEU A 52 5.268 2.744 -6.508 1.00 1.15 H new ATOM 797 N ALA A 53 8.213 -1.686 -6.279 1.00 0.48 N ATOM 798 CA ALA A 53 8.054 -2.709 -7.305 1.00 0.59 C ATOM 799 C ALA A 53 7.376 -3.937 -6.710 1.00 0.60 C ATOM 800 O ALA A 53 6.820 -4.769 -7.427 1.00 0.76 O ATOM 801 CB ALA A 53 9.404 -3.076 -7.903 1.00 0.67 C ATOM 0 H ALA A 53 9.174 -1.375 -6.136 1.00 0.48 H new ATOM 0 HA ALA A 53 7.426 -2.316 -8.104 1.00 0.59 H new ATOM 0 HB1 ALA A 53 9.268 -3.841 -8.667 1.00 0.67 H new ATOM 0 HB2 ALA A 53 9.856 -2.191 -8.352 1.00 0.67 H new ATOM 0 HB3 ALA A 53 10.057 -3.459 -7.119 1.00 0.67 H new ATOM 807 N LYS A 54 7.435 -4.031 -5.387 1.00 0.51 N ATOM 808 CA LYS A 54 6.824 -5.131 -4.656 1.00 0.55 C ATOM 809 C LYS A 54 5.691 -4.611 -3.775 1.00 0.48 C ATOM 810 O LYS A 54 4.985 -5.383 -3.126 1.00 0.57 O ATOM 811 CB LYS A 54 7.872 -5.832 -3.791 1.00 0.62 C ATOM 812 CG LYS A 54 9.147 -6.186 -4.543 1.00 0.76 C ATOM 813 CD LYS A 54 10.376 -6.057 -3.653 1.00 0.94 C ATOM 814 CE LYS A 54 10.360 -7.072 -2.522 1.00 1.21 C ATOM 815 NZ LYS A 54 11.463 -6.838 -1.549 1.00 1.84 N ATOM 0 H LYS A 54 7.907 -3.348 -4.794 1.00 0.51 H new ATOM 0 HA LYS A 54 6.418 -5.845 -5.373 1.00 0.55 H new ATOM 0 HB2 LYS A 54 8.124 -5.188 -2.948 1.00 0.62 H new ATOM 0 HB3 LYS A 54 7.439 -6.743 -3.378 1.00 0.62 H new ATOM 0 HG2 LYS A 54 9.076 -7.206 -4.921 1.00 0.76 H new ATOM 0 HG3 LYS A 54 9.253 -5.532 -5.408 1.00 0.76 H new ATOM 0 HD2 LYS A 54 11.276 -6.195 -4.253 1.00 0.94 H new ATOM 0 HD3 LYS A 54 10.421 -5.050 -3.238 1.00 0.94 H new ATOM 0 HE2 LYS A 54 9.402 -7.023 -2.004 1.00 1.21 H new ATOM 0 HE3 LYS A 54 10.448 -8.077 -2.935 1.00 1.21 H new ATOM 0 HZ1 LYS A 54 11.417 -7.551 -0.794 1.00 1.84 H new ATOM 0 HZ2 LYS A 54 12.378 -6.910 -2.038 1.00 1.84 H new ATOM 0 HZ3 LYS A 54 11.365 -5.889 -1.135 1.00 1.84 H new ATOM 829 N MET A 55 5.531 -3.289 -3.763 1.00 0.38 N ATOM 830 CA MET A 55 4.502 -2.637 -2.960 1.00 0.34 C ATOM 831 C MET A 55 3.603 -1.744 -3.817 1.00 0.33 C ATOM 832 O MET A 55 2.973 -0.818 -3.303 1.00 0.35 O ATOM 833 CB MET A 55 5.164 -1.800 -1.859 1.00 0.33 C ATOM 834 CG MET A 55 5.837 -2.632 -0.777 1.00 0.42 C ATOM 835 SD MET A 55 4.690 -3.240 0.463 1.00 1.95 S ATOM 836 CE MET A 55 5.716 -4.475 1.258 1.00 2.78 C ATOM 0 H MET A 55 6.107 -2.645 -4.306 1.00 0.38 H new ATOM 0 HA MET A 55 3.878 -3.412 -2.514 1.00 0.34 H new ATOM 0 HB2 MET A 55 5.905 -1.142 -2.312 1.00 0.33 H new ATOM 0 HB3 MET A 55 4.410 -1.162 -1.398 1.00 0.33 H new ATOM 0 HG2 MET A 55 6.343 -3.479 -1.241 1.00 0.42 H new ATOM 0 HG3 MET A 55 6.604 -2.030 -0.289 1.00 0.42 H new ATOM 0 HE1 MET A 55 5.201 -4.866 2.135 1.00 2.78 H new ATOM 0 HE2 MET A 55 5.913 -5.289 0.560 1.00 2.78 H new ATOM 0 HE3 MET A 55 6.660 -4.023 1.563 1.00 2.78 H new ATOM 846 N ARG A 56 3.535 -2.024 -5.117 1.00 0.37 N ATOM 847 CA ARG A 56 2.705 -1.229 -6.021 1.00 0.42 C ATOM 848 C ARG A 56 1.567 -2.064 -6.604 1.00 0.41 C ATOM 849 O ARG A 56 0.541 -1.524 -7.020 1.00 0.43 O ATOM 850 CB ARG A 56 3.553 -0.623 -7.150 1.00 0.54 C ATOM 851 CG ARG A 56 3.711 -1.520 -8.371 1.00 1.09 C ATOM 852 CD ARG A 56 4.461 -2.801 -8.042 1.00 1.35 C ATOM 853 NE ARG A 56 4.547 -3.694 -9.194 1.00 1.81 N ATOM 854 CZ ARG A 56 4.393 -5.011 -9.117 1.00 2.37 C ATOM 855 NH1 ARG A 56 4.148 -5.586 -7.947 1.00 2.58 N ATOM 856 NH2 ARG A 56 4.484 -5.756 -10.209 1.00 3.05 N ATOM 0 H ARG A 56 4.040 -2.788 -5.566 1.00 0.37 H new ATOM 0 HA ARG A 56 2.268 -0.417 -5.440 1.00 0.42 H new ATOM 0 HB2 ARG A 56 3.101 0.318 -7.462 1.00 0.54 H new ATOM 0 HB3 ARG A 56 4.542 -0.387 -6.758 1.00 0.54 H new ATOM 0 HG2 ARG A 56 2.727 -1.768 -8.769 1.00 1.09 H new ATOM 0 HG3 ARG A 56 4.244 -0.978 -9.153 1.00 1.09 H new ATOM 0 HD2 ARG A 56 5.466 -2.555 -7.698 1.00 1.35 H new ATOM 0 HD3 ARG A 56 3.960 -3.314 -7.222 1.00 1.35 H new ATOM 0 HE ARG A 56 4.736 -3.284 -10.109 1.00 1.81 H new ATOM 0 HH11 ARG A 56 4.077 -5.017 -7.104 1.00 2.58 H new ATOM 0 HH12 ARG A 56 4.030 -6.598 -7.891 1.00 2.58 H new ATOM 0 HH21 ARG A 56 4.673 -5.318 -11.111 1.00 3.05 H new ATOM 0 HH22 ARG A 56 4.365 -6.767 -10.148 1.00 3.05 H new ATOM 870 N GLY A 57 1.755 -3.381 -6.633 1.00 0.43 N ATOM 871 CA GLY A 57 0.734 -4.265 -7.166 1.00 0.45 C ATOM 872 C GLY A 57 -0.601 -4.083 -6.477 1.00 0.39 C ATOM 873 O GLY A 57 -1.653 -4.312 -7.073 1.00 0.48 O ATOM 0 H GLY A 57 2.596 -3.851 -6.297 1.00 0.43 H new ATOM 0 HA2 GLY A 57 0.617 -4.079 -8.234 1.00 0.45 H new ATOM 0 HA3 GLY A 57 1.059 -5.300 -7.056 1.00 0.45 H new ATOM 877 N ILE A 58 -0.556 -3.666 -5.217 1.00 0.41 N ATOM 878 CA ILE A 58 -1.760 -3.448 -4.435 1.00 0.39 C ATOM 879 C ILE A 58 -2.335 -2.063 -4.700 1.00 0.40 C ATOM 880 O ILE A 58 -3.552 -1.882 -4.747 1.00 0.47 O ATOM 881 CB ILE A 58 -1.470 -3.601 -2.935 1.00 0.42 C ATOM 882 CG1 ILE A 58 -0.804 -4.949 -2.670 1.00 0.53 C ATOM 883 CG2 ILE A 58 -2.752 -3.466 -2.125 1.00 0.43 C ATOM 884 CD1 ILE A 58 0.705 -4.874 -2.576 1.00 0.71 C ATOM 0 H ILE A 58 0.310 -3.472 -4.715 1.00 0.41 H new ATOM 0 HA ILE A 58 -2.490 -4.200 -4.736 1.00 0.39 H new ATOM 0 HB ILE A 58 -0.790 -2.807 -2.625 1.00 0.42 H new ATOM 0 HG12 ILE A 58 -1.197 -5.362 -1.741 1.00 0.53 H new ATOM 0 HG13 ILE A 58 -1.076 -5.641 -3.467 1.00 0.53 H new ATOM 0 HG21 ILE A 58 -2.526 -3.577 -1.065 1.00 0.43 H new ATOM 0 HG22 ILE A 58 -3.192 -2.484 -2.301 1.00 0.43 H new ATOM 0 HG23 ILE A 58 -3.457 -4.239 -2.429 1.00 0.43 H new ATOM 0 HD11 ILE A 58 1.108 -5.869 -2.387 1.00 0.71 H new ATOM 0 HD12 ILE A 58 1.109 -4.491 -3.513 1.00 0.71 H new ATOM 0 HD13 ILE A 58 0.986 -4.208 -1.760 1.00 0.71 H new ATOM 896 N LEU A 59 -1.448 -1.087 -4.871 1.00 0.44 N ATOM 897 CA LEU A 59 -1.862 0.284 -5.140 1.00 0.49 C ATOM 898 C LEU A 59 -2.671 0.344 -6.429 1.00 0.52 C ATOM 899 O LEU A 59 -3.714 0.991 -6.491 1.00 0.56 O ATOM 900 CB LEU A 59 -0.631 1.201 -5.231 1.00 0.58 C ATOM 901 CG LEU A 59 -0.912 2.704 -5.395 1.00 0.88 C ATOM 902 CD1 LEU A 59 -1.247 3.042 -6.840 1.00 1.39 C ATOM 903 CD2 LEU A 59 -2.036 3.152 -4.469 1.00 1.71 C ATOM 0 H LEU A 59 -0.438 -1.221 -4.828 1.00 0.44 H new ATOM 0 HA LEU A 59 -2.491 0.631 -4.320 1.00 0.49 H new ATOM 0 HB2 LEU A 59 -0.033 1.061 -4.331 1.00 0.58 H new ATOM 0 HB3 LEU A 59 -0.021 0.873 -6.073 1.00 0.58 H new ATOM 0 HG LEU A 59 -0.006 3.243 -5.120 1.00 0.88 H new ATOM 0 HD11 LEU A 59 -1.441 4.111 -6.928 1.00 1.39 H new ATOM 0 HD12 LEU A 59 -0.408 2.772 -7.481 1.00 1.39 H new ATOM 0 HD13 LEU A 59 -2.132 2.486 -7.148 1.00 1.39 H new ATOM 0 HD21 LEU A 59 -2.215 4.219 -4.604 1.00 1.71 H new ATOM 0 HD22 LEU A 59 -2.945 2.598 -4.705 1.00 1.71 H new ATOM 0 HD23 LEU A 59 -1.753 2.960 -3.434 1.00 1.71 H new ATOM 915 N LYS A 60 -2.180 -0.340 -7.456 1.00 0.59 N ATOM 916 CA LYS A 60 -2.851 -0.378 -8.749 1.00 0.68 C ATOM 917 C LYS A 60 -4.167 -1.144 -8.648 1.00 0.65 C ATOM 918 O LYS A 60 -5.154 -0.794 -9.297 1.00 0.74 O ATOM 919 CB LYS A 60 -1.931 -1.026 -9.789 1.00 0.80 C ATOM 920 CG LYS A 60 -2.578 -1.239 -11.150 1.00 0.92 C ATOM 921 CD LYS A 60 -3.196 -2.625 -11.272 1.00 1.07 C ATOM 922 CE LYS A 60 -2.134 -3.714 -11.274 1.00 1.10 C ATOM 923 NZ LYS A 60 -1.190 -3.568 -12.416 1.00 1.60 N ATOM 0 H LYS A 60 -1.315 -0.878 -7.417 1.00 0.59 H new ATOM 0 HA LYS A 60 -3.076 0.642 -9.061 1.00 0.68 H new ATOM 0 HB2 LYS A 60 -1.046 -0.402 -9.914 1.00 0.80 H new ATOM 0 HB3 LYS A 60 -1.591 -1.988 -9.407 1.00 0.80 H new ATOM 0 HG2 LYS A 60 -3.347 -0.483 -11.309 1.00 0.92 H new ATOM 0 HG3 LYS A 60 -1.831 -1.104 -11.932 1.00 0.92 H new ATOM 0 HD2 LYS A 60 -3.886 -2.790 -10.444 1.00 1.07 H new ATOM 0 HD3 LYS A 60 -3.780 -2.684 -12.190 1.00 1.07 H new ATOM 0 HE2 LYS A 60 -1.578 -3.680 -10.337 1.00 1.10 H new ATOM 0 HE3 LYS A 60 -2.616 -4.691 -11.324 1.00 1.10 H new ATOM 0 HZ1 LYS A 60 -0.673 -4.460 -12.556 1.00 1.60 H new ATOM 0 HZ2 LYS A 60 -1.722 -3.338 -13.279 1.00 1.60 H new ATOM 0 HZ3 LYS A 60 -0.514 -2.805 -12.212 1.00 1.60 H new ATOM 937 N SER A 61 -4.170 -2.188 -7.829 1.00 0.55 N ATOM 938 CA SER A 61 -5.353 -3.017 -7.635 1.00 0.55 C ATOM 939 C SER A 61 -6.514 -2.223 -7.042 1.00 0.57 C ATOM 940 O SER A 61 -7.649 -2.340 -7.496 1.00 0.71 O ATOM 941 CB SER A 61 -5.024 -4.198 -6.721 1.00 0.51 C ATOM 942 OG SER A 61 -4.121 -5.092 -7.346 1.00 1.20 O ATOM 0 H SER A 61 -3.359 -2.482 -7.284 1.00 0.55 H new ATOM 0 HA SER A 61 -5.659 -3.381 -8.616 1.00 0.55 H new ATOM 0 HB2 SER A 61 -4.591 -3.832 -5.790 1.00 0.51 H new ATOM 0 HB3 SER A 61 -5.941 -4.726 -6.460 1.00 0.51 H new ATOM 0 HG SER A 61 -3.215 -4.721 -7.309 1.00 1.20 H new ATOM 948 N ILE A 62 -6.227 -1.428 -6.019 1.00 0.50 N ATOM 949 CA ILE A 62 -7.261 -0.633 -5.358 1.00 0.56 C ATOM 950 C ILE A 62 -7.536 0.689 -6.080 1.00 0.64 C ATOM 951 O ILE A 62 -8.659 1.191 -6.064 1.00 0.70 O ATOM 952 CB ILE A 62 -6.878 -0.340 -3.891 1.00 0.55 C ATOM 953 CG1 ILE A 62 -6.834 -1.640 -3.087 1.00 0.54 C ATOM 954 CG2 ILE A 62 -7.859 0.641 -3.261 1.00 0.65 C ATOM 955 CD1 ILE A 62 -6.202 -1.489 -1.719 1.00 0.79 C ATOM 0 H ILE A 62 -5.292 -1.315 -5.628 1.00 0.50 H new ATOM 0 HA ILE A 62 -8.172 -1.231 -5.389 1.00 0.56 H new ATOM 0 HB ILE A 62 -5.887 0.115 -3.879 1.00 0.55 H new ATOM 0 HG12 ILE A 62 -7.849 -2.018 -2.969 1.00 0.54 H new ATOM 0 HG13 ILE A 62 -6.279 -2.388 -3.653 1.00 0.54 H new ATOM 0 HG21 ILE A 62 -7.569 0.832 -2.228 1.00 0.65 H new ATOM 0 HG22 ILE A 62 -7.848 1.577 -3.820 1.00 0.65 H new ATOM 0 HG23 ILE A 62 -8.863 0.217 -3.284 1.00 0.65 H new ATOM 0 HD11 ILE A 62 -6.206 -2.452 -1.208 1.00 0.79 H new ATOM 0 HD12 ILE A 62 -5.175 -1.141 -1.829 1.00 0.79 H new ATOM 0 HD13 ILE A 62 -6.769 -0.765 -1.134 1.00 0.79 H new ATOM 967 N ALA A 63 -6.512 1.254 -6.708 1.00 0.68 N ATOM 968 CA ALA A 63 -6.660 2.531 -7.402 1.00 0.79 C ATOM 969 C ALA A 63 -7.209 2.375 -8.819 1.00 0.84 C ATOM 970 O ALA A 63 -8.287 2.877 -9.134 1.00 0.90 O ATOM 971 CB ALA A 63 -5.329 3.267 -7.437 1.00 0.88 C ATOM 0 H ALA A 63 -5.575 0.853 -6.752 1.00 0.68 H new ATOM 0 HA ALA A 63 -7.390 3.114 -6.839 1.00 0.79 H new ATOM 0 HB1 ALA A 63 -5.452 4.217 -7.957 1.00 0.88 H new ATOM 0 HB2 ALA A 63 -4.989 3.452 -6.418 1.00 0.88 H new ATOM 0 HB3 ALA A 63 -4.591 2.660 -7.961 1.00 0.88 H new ATOM 977 N SER A 64 -6.462 1.678 -9.668 1.00 0.88 N ATOM 978 CA SER A 64 -6.856 1.487 -11.062 1.00 1.00 C ATOM 979 C SER A 64 -8.025 0.518 -11.221 1.00 0.96 C ATOM 980 O SER A 64 -8.804 0.634 -12.167 1.00 1.11 O ATOM 981 CB SER A 64 -5.662 0.985 -11.874 1.00 1.13 C ATOM 982 OG SER A 64 -6.007 0.808 -13.237 1.00 1.56 O ATOM 0 H SER A 64 -5.579 1.235 -9.416 1.00 0.88 H new ATOM 0 HA SER A 64 -7.188 2.457 -11.433 1.00 1.00 H new ATOM 0 HB2 SER A 64 -4.840 1.696 -11.794 1.00 1.13 H new ATOM 0 HB3 SER A 64 -5.309 0.041 -11.460 1.00 1.13 H new ATOM 0 HG SER A 64 -5.225 0.488 -13.733 1.00 1.56 H new ATOM 988 N ALA A 65 -8.153 -0.433 -10.302 1.00 0.84 N ATOM 989 CA ALA A 65 -9.225 -1.422 -10.389 1.00 0.84 C ATOM 990 C ALA A 65 -10.244 -1.277 -9.262 1.00 0.75 C ATOM 991 O ALA A 65 -11.441 -1.477 -9.474 1.00 0.82 O ATOM 992 CB ALA A 65 -8.639 -2.824 -10.389 1.00 0.83 C ATOM 0 H ALA A 65 -7.536 -0.541 -9.497 1.00 0.84 H new ATOM 0 HA ALA A 65 -9.755 -1.245 -11.325 1.00 0.84 H new ATOM 0 HB1 ALA A 65 -9.445 -3.555 -10.454 1.00 0.83 H new ATOM 0 HB2 ALA A 65 -7.974 -2.940 -11.244 1.00 0.83 H new ATOM 0 HB3 ALA A 65 -8.078 -2.984 -9.468 1.00 0.83 H new ATOM 998 N ASP A 66 -9.771 -0.930 -8.070 1.00 0.65 N ATOM 999 CA ASP A 66 -10.648 -0.781 -6.913 1.00 0.65 C ATOM 1000 C ASP A 66 -11.411 -2.075 -6.653 1.00 0.66 C ATOM 1001 O ASP A 66 -12.549 -2.240 -7.095 1.00 1.01 O ATOM 1002 CB ASP A 66 -11.626 0.378 -7.119 1.00 0.75 C ATOM 1003 CG ASP A 66 -12.507 0.610 -5.905 1.00 1.05 C ATOM 1004 OD1 ASP A 66 -12.075 1.340 -4.989 1.00 1.08 O ATOM 1005 OD2 ASP A 66 -13.630 0.064 -5.874 1.00 1.53 O ATOM 0 H ASP A 66 -8.786 -0.747 -7.879 1.00 0.65 H new ATOM 0 HA ASP A 66 -10.029 -0.559 -6.044 1.00 0.65 H new ATOM 0 HB2 ASP A 66 -11.067 1.288 -7.339 1.00 0.75 H new ATOM 0 HB3 ASP A 66 -12.253 0.172 -7.986 1.00 0.75 H new ATOM 1010 N MET A 67 -10.769 -2.994 -5.940 1.00 0.55 N ATOM 1011 CA MET A 67 -11.371 -4.282 -5.622 1.00 0.55 C ATOM 1012 C MET A 67 -12.250 -4.189 -4.380 1.00 0.65 C ATOM 1013 O MET A 67 -12.336 -3.138 -3.744 1.00 0.81 O ATOM 1014 CB MET A 67 -10.277 -5.327 -5.412 1.00 0.49 C ATOM 1015 CG MET A 67 -9.348 -5.480 -6.606 1.00 0.49 C ATOM 1016 SD MET A 67 -10.188 -6.140 -8.058 1.00 1.00 S ATOM 1017 CE MET A 67 -8.829 -6.239 -9.221 1.00 1.52 C ATOM 0 H MET A 67 -9.827 -2.869 -5.570 1.00 0.55 H new ATOM 0 HA MET A 67 -12.002 -4.580 -6.460 1.00 0.55 H new ATOM 0 HB2 MET A 67 -9.688 -5.054 -4.536 1.00 0.49 H new ATOM 0 HB3 MET A 67 -10.741 -6.289 -5.197 1.00 0.49 H new ATOM 0 HG2 MET A 67 -8.915 -4.510 -6.851 1.00 0.49 H new ATOM 0 HG3 MET A 67 -8.523 -6.139 -6.337 1.00 0.49 H new ATOM 0 HE1 MET A 67 -9.222 -6.282 -10.237 1.00 1.52 H new ATOM 0 HE2 MET A 67 -8.194 -5.360 -9.114 1.00 1.52 H new ATOM 0 HE3 MET A 67 -8.243 -7.136 -9.021 1.00 1.52 H new ATOM 1027 N ASP A 68 -12.901 -5.297 -4.037 1.00 0.64 N ATOM 1028 CA ASP A 68 -13.778 -5.340 -2.873 1.00 0.77 C ATOM 1029 C ASP A 68 -13.016 -5.779 -1.626 1.00 0.67 C ATOM 1030 O ASP A 68 -12.595 -4.947 -0.821 1.00 1.22 O ATOM 1031 CB ASP A 68 -14.956 -6.283 -3.128 1.00 1.02 C ATOM 1032 CG ASP A 68 -15.773 -5.876 -4.338 1.00 1.55 C ATOM 1033 OD1 ASP A 68 -16.533 -4.889 -4.237 1.00 1.91 O ATOM 1034 OD2 ASP A 68 -15.654 -6.543 -5.387 1.00 1.92 O ATOM 0 H ASP A 68 -12.837 -6.177 -4.549 1.00 0.64 H new ATOM 0 HA ASP A 68 -14.159 -4.333 -2.703 1.00 0.77 H new ATOM 0 HB2 ASP A 68 -14.582 -7.297 -3.271 1.00 1.02 H new ATOM 0 HB3 ASP A 68 -15.600 -6.302 -2.248 1.00 1.02 H new ATOM 1039 N PHE A 69 -12.841 -7.090 -1.467 1.00 0.74 N ATOM 1040 CA PHE A 69 -12.132 -7.629 -0.312 1.00 0.83 C ATOM 1041 C PHE A 69 -11.668 -9.062 -0.564 1.00 0.99 C ATOM 1042 O PHE A 69 -10.535 -9.420 -0.242 1.00 1.85 O ATOM 1043 CB PHE A 69 -13.027 -7.577 0.930 1.00 1.00 C ATOM 1044 CG PHE A 69 -14.382 -8.199 0.731 1.00 1.45 C ATOM 1045 CD1 PHE A 69 -15.422 -7.466 0.182 1.00 2.08 C ATOM 1046 CD2 PHE A 69 -14.613 -9.517 1.092 1.00 1.82 C ATOM 1047 CE1 PHE A 69 -16.667 -8.037 -0.003 1.00 2.91 C ATOM 1048 CE2 PHE A 69 -15.856 -10.093 0.909 1.00 2.52 C ATOM 1049 CZ PHE A 69 -16.887 -9.347 0.365 1.00 3.05 C ATOM 0 H PHE A 69 -13.180 -7.795 -2.122 1.00 0.74 H new ATOM 0 HA PHE A 69 -11.249 -7.013 -0.144 1.00 0.83 H new ATOM 0 HB2 PHE A 69 -12.522 -8.085 1.751 1.00 1.00 H new ATOM 0 HB3 PHE A 69 -13.156 -6.537 1.230 1.00 1.00 H new ATOM 0 HD1 PHE A 69 -15.258 -6.438 -0.104 1.00 2.08 H new ATOM 0 HD2 PHE A 69 -13.812 -10.101 1.521 1.00 1.82 H new ATOM 0 HE1 PHE A 69 -17.468 -7.456 -0.436 1.00 2.91 H new ATOM 0 HE2 PHE A 69 -16.022 -11.123 1.190 1.00 2.52 H new ATOM 0 HZ PHE A 69 -17.862 -9.791 0.229 1.00 3.05 H new ATOM 1059 N ASN A 70 -12.547 -9.876 -1.138 1.00 0.86 N ATOM 1060 CA ASN A 70 -12.223 -11.269 -1.426 1.00 0.89 C ATOM 1061 C ASN A 70 -11.149 -11.373 -2.503 1.00 0.83 C ATOM 1062 O ASN A 70 -10.229 -12.184 -2.399 1.00 1.09 O ATOM 1063 CB ASN A 70 -13.474 -12.030 -1.864 1.00 1.03 C ATOM 1064 CG ASN A 70 -13.158 -13.429 -2.355 1.00 1.77 C ATOM 1065 OD1 ASN A 70 -13.123 -14.380 -1.575 1.00 2.50 O ATOM 1066 ND2 ASN A 70 -12.925 -13.560 -3.657 1.00 2.40 N ATOM 0 H ASN A 70 -13.489 -9.596 -1.413 1.00 0.86 H new ATOM 0 HA ASN A 70 -11.836 -11.716 -0.510 1.00 0.89 H new ATOM 0 HB2 ASN A 70 -14.171 -12.090 -1.028 1.00 1.03 H new ATOM 0 HB3 ASN A 70 -13.975 -11.474 -2.657 1.00 1.03 H new ATOM 0 HD21 ASN A 70 -12.706 -14.477 -4.046 1.00 2.40 H new ATOM 0 HD22 ASN A 70 -12.965 -12.743 -4.267 1.00 2.40 H new ATOM 1073 N GLN A 71 -11.274 -10.548 -3.538 1.00 0.69 N ATOM 1074 CA GLN A 71 -10.315 -10.552 -4.637 1.00 0.68 C ATOM 1075 C GLN A 71 -8.913 -10.214 -4.138 1.00 0.58 C ATOM 1076 O GLN A 71 -7.958 -10.941 -4.404 1.00 0.72 O ATOM 1077 CB GLN A 71 -10.742 -9.557 -5.718 1.00 0.74 C ATOM 1078 CG GLN A 71 -12.148 -9.796 -6.244 1.00 0.88 C ATOM 1079 CD GLN A 71 -12.497 -8.890 -7.411 1.00 1.32 C ATOM 1080 OE1 GLN A 71 -12.265 -9.235 -8.569 1.00 1.79 O ATOM 1081 NE2 GLN A 71 -13.057 -7.725 -7.109 1.00 1.90 N ATOM 0 H GLN A 71 -12.029 -9.869 -3.639 1.00 0.69 H new ATOM 0 HA GLN A 71 -10.295 -11.554 -5.065 1.00 0.68 H new ATOM 0 HB2 GLN A 71 -10.681 -8.546 -5.314 1.00 0.74 H new ATOM 0 HB3 GLN A 71 -10.038 -9.611 -6.549 1.00 0.74 H new ATOM 0 HG2 GLN A 71 -12.243 -10.836 -6.555 1.00 0.88 H new ATOM 0 HG3 GLN A 71 -12.865 -9.637 -5.439 1.00 0.88 H new ATOM 0 HE21 GLN A 71 -13.231 -7.480 -6.134 1.00 1.90 H new ATOM 0 HE22 GLN A 71 -13.313 -7.075 -7.852 1.00 1.90 H new ATOM 1090 N LEU A 72 -8.800 -9.104 -3.414 1.00 0.45 N ATOM 1091 CA LEU A 72 -7.521 -8.666 -2.876 1.00 0.39 C ATOM 1092 C LEU A 72 -6.907 -9.723 -1.968 1.00 0.41 C ATOM 1093 O LEU A 72 -5.697 -9.938 -1.989 1.00 0.41 O ATOM 1094 CB LEU A 72 -7.705 -7.359 -2.105 1.00 0.40 C ATOM 1095 CG LEU A 72 -6.985 -6.149 -2.668 1.00 0.52 C ATOM 1096 CD1 LEU A 72 -7.049 -6.114 -4.188 1.00 1.10 C ATOM 1097 CD2 LEU A 72 -7.563 -4.875 -2.080 1.00 1.06 C ATOM 0 H LEU A 72 -9.583 -8.491 -3.187 1.00 0.45 H new ATOM 0 HA LEU A 72 -6.840 -8.506 -3.712 1.00 0.39 H new ATOM 0 HB2 LEU A 72 -8.771 -7.134 -2.059 1.00 0.40 H new ATOM 0 HB3 LEU A 72 -7.367 -7.514 -1.080 1.00 0.40 H new ATOM 0 HG LEU A 72 -5.935 -6.225 -2.387 1.00 0.52 H new ATOM 0 HD11 LEU A 72 -6.522 -5.233 -4.554 1.00 1.10 H new ATOM 0 HD12 LEU A 72 -6.580 -7.011 -4.593 1.00 1.10 H new ATOM 0 HD13 LEU A 72 -8.090 -6.073 -4.507 1.00 1.10 H new ATOM 0 HD21 LEU A 72 -7.038 -4.013 -2.492 1.00 1.06 H new ATOM 0 HD22 LEU A 72 -8.622 -4.807 -2.329 1.00 1.06 H new ATOM 0 HD23 LEU A 72 -7.445 -4.888 -0.997 1.00 1.06 H new ATOM 1109 N GLU A 73 -7.743 -10.375 -1.165 1.00 0.49 N ATOM 1110 CA GLU A 73 -7.268 -11.414 -0.257 1.00 0.57 C ATOM 1111 C GLU A 73 -6.496 -12.482 -1.025 1.00 0.59 C ATOM 1112 O GLU A 73 -5.584 -13.112 -0.489 1.00 0.68 O ATOM 1113 CB GLU A 73 -8.441 -12.050 0.491 1.00 0.67 C ATOM 1114 CG GLU A 73 -8.020 -13.124 1.482 1.00 0.75 C ATOM 1115 CD GLU A 73 -7.162 -12.576 2.606 1.00 1.45 C ATOM 1116 OE1 GLU A 73 -5.923 -12.553 2.449 1.00 2.25 O ATOM 1117 OE2 GLU A 73 -7.729 -12.170 3.642 1.00 1.76 O ATOM 0 H GLU A 73 -8.748 -10.203 -1.124 1.00 0.49 H new ATOM 0 HA GLU A 73 -6.599 -10.953 0.470 1.00 0.57 H new ATOM 0 HB2 GLU A 73 -8.988 -11.271 1.023 1.00 0.67 H new ATOM 0 HB3 GLU A 73 -9.130 -12.485 -0.233 1.00 0.67 H new ATOM 0 HG2 GLU A 73 -8.909 -13.593 1.904 1.00 0.75 H new ATOM 0 HG3 GLU A 73 -7.469 -13.903 0.956 1.00 0.75 H new ATOM 1124 N ALA A 74 -6.871 -12.679 -2.286 1.00 0.62 N ATOM 1125 CA ALA A 74 -6.212 -13.660 -3.137 1.00 0.70 C ATOM 1126 C ALA A 74 -4.944 -13.077 -3.750 1.00 0.57 C ATOM 1127 O ALA A 74 -3.995 -13.802 -4.051 1.00 0.60 O ATOM 1128 CB ALA A 74 -7.157 -14.138 -4.228 1.00 0.89 C ATOM 0 H ALA A 74 -7.630 -12.170 -2.740 1.00 0.62 H new ATOM 0 HA ALA A 74 -5.933 -14.514 -2.520 1.00 0.70 H new ATOM 0 HB1 ALA A 74 -6.648 -14.871 -4.855 1.00 0.89 H new ATOM 0 HB2 ALA A 74 -8.035 -14.597 -3.773 1.00 0.89 H new ATOM 0 HB3 ALA A 74 -7.466 -13.290 -4.839 1.00 0.89 H new ATOM 1134 N PHE A 75 -4.939 -11.760 -3.931 1.00 0.49 N ATOM 1135 CA PHE A 75 -3.793 -11.066 -4.504 1.00 0.46 C ATOM 1136 C PHE A 75 -2.648 -10.995 -3.497 1.00 0.38 C ATOM 1137 O PHE A 75 -1.479 -11.134 -3.856 1.00 0.47 O ATOM 1138 CB PHE A 75 -4.197 -9.657 -4.940 1.00 0.55 C ATOM 1139 CG PHE A 75 -3.092 -8.897 -5.613 1.00 0.63 C ATOM 1140 CD1 PHE A 75 -2.826 -9.084 -6.960 1.00 0.76 C ATOM 1141 CD2 PHE A 75 -2.318 -7.996 -4.901 1.00 0.67 C ATOM 1142 CE1 PHE A 75 -1.810 -8.386 -7.583 1.00 0.88 C ATOM 1143 CE2 PHE A 75 -1.300 -7.295 -5.517 1.00 0.82 C ATOM 1144 CZ PHE A 75 -1.047 -7.487 -6.860 1.00 0.91 C ATOM 0 H PHE A 75 -5.720 -11.151 -3.688 1.00 0.49 H new ATOM 0 HA PHE A 75 -3.452 -11.624 -5.376 1.00 0.46 H new ATOM 0 HB2 PHE A 75 -5.046 -9.725 -5.620 1.00 0.55 H new ATOM 0 HB3 PHE A 75 -4.532 -9.097 -4.067 1.00 0.55 H new ATOM 0 HD1 PHE A 75 -3.420 -9.784 -7.529 1.00 0.76 H new ATOM 0 HD2 PHE A 75 -2.513 -7.840 -3.850 1.00 0.67 H new ATOM 0 HE1 PHE A 75 -1.612 -8.542 -8.633 1.00 0.88 H new ATOM 0 HE2 PHE A 75 -0.703 -6.598 -4.949 1.00 0.82 H new ATOM 0 HZ PHE A 75 -0.255 -6.936 -7.345 1.00 0.91 H new ATOM 1154 N LEU A 76 -3.001 -10.775 -2.234 1.00 0.33 N ATOM 1155 CA LEU A 76 -2.018 -10.690 -1.159 1.00 0.36 C ATOM 1156 C LEU A 76 -1.208 -11.979 -1.079 1.00 0.40 C ATOM 1157 O LEU A 76 -0.056 -11.982 -0.644 1.00 0.60 O ATOM 1158 CB LEU A 76 -2.730 -10.428 0.174 1.00 0.43 C ATOM 1159 CG LEU A 76 -1.976 -9.541 1.172 1.00 0.55 C ATOM 1160 CD1 LEU A 76 -0.700 -10.217 1.640 1.00 0.82 C ATOM 1161 CD2 LEU A 76 -1.665 -8.187 0.556 1.00 0.80 C ATOM 0 H LEU A 76 -3.966 -10.652 -1.929 1.00 0.33 H new ATOM 0 HA LEU A 76 -1.336 -9.866 -1.367 1.00 0.36 H new ATOM 0 HB2 LEU A 76 -3.695 -9.967 -0.036 1.00 0.43 H new ATOM 0 HB3 LEU A 76 -2.932 -11.387 0.651 1.00 0.43 H new ATOM 0 HG LEU A 76 -2.618 -9.387 2.039 1.00 0.55 H new ATOM 0 HD11 LEU A 76 -0.183 -9.568 2.347 1.00 0.82 H new ATOM 0 HD12 LEU A 76 -0.946 -11.161 2.126 1.00 0.82 H new ATOM 0 HD13 LEU A 76 -0.054 -10.408 0.783 1.00 0.82 H new ATOM 0 HD21 LEU A 76 -1.130 -7.572 1.280 1.00 0.80 H new ATOM 0 HD22 LEU A 76 -1.047 -8.324 -0.331 1.00 0.80 H new ATOM 0 HD23 LEU A 76 -2.595 -7.692 0.277 1.00 0.80 H new ATOM 1173 N THR A 77 -1.823 -13.072 -1.508 1.00 0.41 N ATOM 1174 CA THR A 77 -1.175 -14.377 -1.496 1.00 0.49 C ATOM 1175 C THR A 77 -0.344 -14.569 -2.760 1.00 0.47 C ATOM 1176 O THR A 77 0.597 -15.362 -2.788 1.00 0.53 O ATOM 1177 CB THR A 77 -2.211 -15.514 -1.390 1.00 0.63 C ATOM 1178 OG1 THR A 77 -3.013 -15.335 -0.216 1.00 0.73 O ATOM 1179 CG2 THR A 77 -1.531 -16.874 -1.341 1.00 0.71 C ATOM 0 H THR A 77 -2.776 -13.081 -1.871 1.00 0.41 H new ATOM 0 HA THR A 77 -0.525 -14.414 -0.622 1.00 0.49 H new ATOM 0 HB THR A 77 -2.844 -15.478 -2.276 1.00 0.63 H new ATOM 0 HG1 THR A 77 -3.670 -16.059 -0.155 1.00 0.73 H new ATOM 0 HG21 THR A 77 -2.287 -17.656 -1.266 1.00 0.71 H new ATOM 0 HG22 THR A 77 -0.945 -17.021 -2.248 1.00 0.71 H new ATOM 0 HG23 THR A 77 -0.873 -16.921 -0.473 1.00 0.71 H new ATOM 1187 N ALA A 78 -0.700 -13.823 -3.799 1.00 0.45 N ATOM 1188 CA ALA A 78 -0.003 -13.896 -5.076 1.00 0.52 C ATOM 1189 C ALA A 78 1.266 -13.054 -5.052 1.00 0.53 C ATOM 1190 O ALA A 78 2.210 -13.312 -5.799 1.00 0.67 O ATOM 1191 CB ALA A 78 -0.923 -13.437 -6.195 1.00 0.60 C ATOM 0 H ALA A 78 -1.472 -13.157 -3.781 1.00 0.45 H new ATOM 0 HA ALA A 78 0.284 -14.932 -5.255 1.00 0.52 H new ATOM 0 HB1 ALA A 78 -0.395 -13.494 -7.147 1.00 0.60 H new ATOM 0 HB2 ALA A 78 -1.803 -14.079 -6.229 1.00 0.60 H new ATOM 0 HB3 ALA A 78 -1.232 -12.408 -6.013 1.00 0.60 H new ATOM 1197 N GLN A 79 1.279 -12.044 -4.189 1.00 0.47 N ATOM 1198 CA GLN A 79 2.429 -11.158 -4.066 1.00 0.53 C ATOM 1199 C GLN A 79 3.469 -11.740 -3.116 1.00 0.54 C ATOM 1200 O GLN A 79 4.535 -11.160 -2.914 1.00 1.06 O ATOM 1201 CB GLN A 79 1.989 -9.776 -3.585 1.00 0.56 C ATOM 1202 CG GLN A 79 1.170 -9.799 -2.307 1.00 0.96 C ATOM 1203 CD GLN A 79 0.682 -8.420 -1.914 1.00 1.23 C ATOM 1204 OE1 GLN A 79 1.493 -7.703 -1.150 1.00 2.20 O flip ATOM 1205 NE2 GLN A 79 -0.410 -8.003 -2.296 1.00 0.61 N flip ATOM 0 H GLN A 79 0.505 -11.819 -3.564 1.00 0.47 H new ATOM 0 HA GLN A 79 2.885 -11.059 -5.051 1.00 0.53 H new ATOM 0 HB2 GLN A 79 2.874 -9.159 -3.426 1.00 0.56 H new ATOM 0 HB3 GLN A 79 1.404 -9.298 -4.371 1.00 0.56 H new ATOM 0 HG2 GLN A 79 0.314 -10.461 -2.438 1.00 0.96 H new ATOM 0 HG3 GLN A 79 1.773 -10.213 -1.499 1.00 0.96 H new ATOM 0 HE21 GLN A 79 -1.003 -8.589 -2.884 1.00 0.61 H new ATOM 0 HE22 GLN A 79 -0.723 -7.071 -2.025 1.00 0.61 H new ATOM 1214 N THR A 80 3.146 -12.890 -2.537 1.00 0.63 N ATOM 1215 CA THR A 80 4.049 -13.563 -1.613 1.00 0.65 C ATOM 1216 C THR A 80 4.532 -14.877 -2.208 1.00 0.64 C ATOM 1217 O THR A 80 5.313 -15.605 -1.594 1.00 0.73 O ATOM 1218 CB THR A 80 3.363 -13.840 -0.262 1.00 0.77 C ATOM 1219 OG1 THR A 80 2.229 -14.694 -0.453 1.00 1.31 O ATOM 1220 CG2 THR A 80 2.920 -12.539 0.391 1.00 0.44 C ATOM 0 H THR A 80 2.263 -13.377 -2.692 1.00 0.63 H new ATOM 0 HA THR A 80 4.899 -12.902 -1.444 1.00 0.65 H new ATOM 0 HB THR A 80 4.081 -14.334 0.393 1.00 0.77 H new ATOM 0 HG1 THR A 80 2.037 -14.774 -1.411 1.00 1.31 H new ATOM 0 HG21 THR A 80 2.438 -12.756 1.344 1.00 0.44 H new ATOM 0 HG22 THR A 80 3.789 -11.903 0.560 1.00 0.44 H new ATOM 0 HG23 THR A 80 2.216 -12.025 -0.263 1.00 0.44 H new ATOM 1228 N LYS A 81 4.058 -15.169 -3.414 1.00 0.68 N ATOM 1229 CA LYS A 81 4.425 -16.390 -4.115 1.00 0.71 C ATOM 1230 C LYS A 81 5.046 -16.067 -5.469 1.00 0.69 C ATOM 1231 O LYS A 81 5.489 -16.961 -6.192 1.00 0.81 O ATOM 1232 CB LYS A 81 3.193 -17.277 -4.306 1.00 0.76 C ATOM 1233 CG LYS A 81 2.640 -17.833 -3.004 1.00 1.54 C ATOM 1234 CD LYS A 81 1.366 -18.627 -3.235 1.00 1.55 C ATOM 1235 CE LYS A 81 0.893 -19.299 -1.955 1.00 2.12 C ATOM 1236 NZ LYS A 81 -0.370 -20.060 -2.161 1.00 3.02 N ATOM 0 H LYS A 81 3.413 -14.570 -3.929 1.00 0.68 H new ATOM 0 HA LYS A 81 5.161 -16.924 -3.513 1.00 0.71 H new ATOM 0 HB2 LYS A 81 2.414 -16.701 -4.806 1.00 0.76 H new ATOM 0 HB3 LYS A 81 3.450 -18.106 -4.966 1.00 0.76 H new ATOM 0 HG2 LYS A 81 3.388 -18.471 -2.533 1.00 1.54 H new ATOM 0 HG3 LYS A 81 2.439 -17.014 -2.313 1.00 1.54 H new ATOM 0 HD2 LYS A 81 0.586 -17.965 -3.610 1.00 1.55 H new ATOM 0 HD3 LYS A 81 1.540 -19.382 -4.002 1.00 1.55 H new ATOM 0 HE2 LYS A 81 1.668 -19.974 -1.591 1.00 2.12 H new ATOM 0 HE3 LYS A 81 0.740 -18.544 -1.184 1.00 2.12 H new ATOM 0 HZ1 LYS A 81 -0.659 -20.503 -1.265 1.00 3.02 H new ATOM 0 HZ2 LYS A 81 -1.117 -19.412 -2.483 1.00 3.02 H new ATOM 0 HZ3 LYS A 81 -0.218 -20.797 -2.878 1.00 3.02 H new ATOM 1250 N LYS A 82 5.080 -14.780 -5.803 1.00 0.66 N ATOM 1251 CA LYS A 82 5.641 -14.329 -7.070 1.00 0.74 C ATOM 1252 C LYS A 82 7.162 -14.444 -7.068 1.00 0.78 C ATOM 1253 O LYS A 82 7.745 -15.128 -6.226 1.00 0.83 O ATOM 1254 CB LYS A 82 5.236 -12.881 -7.348 1.00 0.72 C ATOM 1255 CG LYS A 82 5.842 -11.884 -6.375 1.00 0.67 C ATOM 1256 CD LYS A 82 5.732 -10.456 -6.890 1.00 0.77 C ATOM 1257 CE LYS A 82 4.344 -9.883 -6.667 1.00 0.76 C ATOM 1258 NZ LYS A 82 4.174 -8.560 -7.330 1.00 1.09 N ATOM 0 H LYS A 82 4.724 -14.030 -5.211 1.00 0.66 H new ATOM 0 HA LYS A 82 5.244 -14.971 -7.857 1.00 0.74 H new ATOM 0 HB2 LYS A 82 5.537 -12.616 -8.362 1.00 0.72 H new ATOM 0 HB3 LYS A 82 4.150 -12.802 -7.307 1.00 0.72 H new ATOM 0 HG2 LYS A 82 5.338 -11.963 -5.412 1.00 0.67 H new ATOM 0 HG3 LYS A 82 6.890 -12.131 -6.207 1.00 0.67 H new ATOM 0 HD2 LYS A 82 6.469 -9.830 -6.387 1.00 0.77 H new ATOM 0 HD3 LYS A 82 5.968 -10.434 -7.954 1.00 0.77 H new ATOM 0 HE2 LYS A 82 3.598 -10.579 -7.051 1.00 0.76 H new ATOM 0 HE3 LYS A 82 4.162 -9.779 -5.597 1.00 0.76 H new ATOM 0 HZ1 LYS A 82 3.768 -7.882 -6.654 1.00 1.09 H new ATOM 0 HZ2 LYS A 82 5.099 -8.213 -7.655 1.00 1.09 H new ATOM 0 HZ3 LYS A 82 3.536 -8.660 -8.145 1.00 1.09 H new ATOM 1272 N GLN A 83 7.797 -13.766 -8.018 1.00 0.87 N ATOM 1273 CA GLN A 83 9.249 -13.781 -8.133 1.00 0.96 C ATOM 1274 C GLN A 83 9.853 -12.539 -7.487 1.00 0.80 C ATOM 1275 O GLN A 83 9.564 -11.413 -7.893 1.00 0.80 O ATOM 1276 CB GLN A 83 9.657 -13.847 -9.603 1.00 1.22 C ATOM 1277 CG GLN A 83 8.929 -14.931 -10.385 1.00 1.37 C ATOM 1278 CD GLN A 83 9.292 -14.940 -11.859 1.00 1.96 C ATOM 1279 OE1 GLN A 83 9.598 -13.767 -12.403 1.00 2.49 O flip ATOM 1280 NE2 GLN A 83 9.292 -15.990 -12.501 1.00 2.57 N flip ATOM 0 H GLN A 83 7.326 -13.197 -8.722 1.00 0.87 H new ATOM 0 HA GLN A 83 9.625 -14.663 -7.614 1.00 0.96 H new ATOM 0 HB2 GLN A 83 9.464 -12.881 -10.070 1.00 1.22 H new ATOM 0 HB3 GLN A 83 10.731 -14.023 -9.667 1.00 1.22 H new ATOM 0 HG2 GLN A 83 9.163 -15.904 -9.952 1.00 1.37 H new ATOM 0 HG3 GLN A 83 7.854 -14.787 -10.282 1.00 1.37 H new ATOM 0 HE21 GLN A 83 9.050 -16.868 -12.042 1.00 2.57 H new ATOM 0 HE22 GLN A 83 9.534 -15.982 -13.492 1.00 2.57 H new ATOM 1289 N GLY A 84 10.691 -12.750 -6.478 1.00 0.98 N ATOM 1290 CA GLY A 84 11.321 -11.637 -5.792 1.00 1.14 C ATOM 1291 C GLY A 84 10.316 -10.743 -5.092 1.00 1.22 C ATOM 1292 O GLY A 84 10.609 -9.586 -4.787 1.00 2.05 O ATOM 0 H GLY A 84 10.945 -13.672 -6.123 1.00 0.98 H new ATOM 0 HA2 GLY A 84 12.032 -12.021 -5.061 1.00 1.14 H new ATOM 0 HA3 GLY A 84 11.890 -11.046 -6.510 1.00 1.14 H new ATOM 1296 N GLY A 85 9.125 -11.281 -4.840 1.00 0.69 N ATOM 1297 CA GLY A 85 8.089 -10.520 -4.174 1.00 0.69 C ATOM 1298 C GLY A 85 8.439 -10.196 -2.737 1.00 0.66 C ATOM 1299 O GLY A 85 9.606 -10.004 -2.401 1.00 0.91 O ATOM 0 H GLY A 85 8.861 -12.235 -5.088 1.00 0.69 H new ATOM 0 HA2 GLY A 85 7.916 -9.593 -4.720 1.00 0.69 H new ATOM 0 HA3 GLY A 85 7.156 -11.083 -4.199 1.00 0.69 H new ATOM 1303 N ILE A 86 7.424 -10.147 -1.887 1.00 0.49 N ATOM 1304 CA ILE A 86 7.619 -9.827 -0.481 1.00 0.48 C ATOM 1305 C ILE A 86 7.514 -11.068 0.402 1.00 0.50 C ATOM 1306 O ILE A 86 7.171 -12.152 -0.071 1.00 0.53 O ATOM 1307 CB ILE A 86 6.586 -8.784 -0.035 1.00 0.45 C ATOM 1308 CG1 ILE A 86 5.187 -9.406 -0.015 1.00 0.43 C ATOM 1309 CG2 ILE A 86 6.634 -7.593 -0.984 1.00 0.50 C ATOM 1310 CD1 ILE A 86 4.110 -8.475 0.492 1.00 0.45 C ATOM 0 H ILE A 86 6.454 -10.325 -2.148 1.00 0.49 H new ATOM 0 HA ILE A 86 8.625 -9.422 -0.369 1.00 0.48 H new ATOM 0 HB ILE A 86 6.820 -8.443 0.974 1.00 0.45 H new ATOM 0 HG12 ILE A 86 4.929 -9.729 -1.024 1.00 0.43 H new ATOM 0 HG13 ILE A 86 5.206 -10.299 0.610 1.00 0.43 H new ATOM 0 HG21 ILE A 86 5.902 -6.849 -0.671 1.00 0.50 H new ATOM 0 HG22 ILE A 86 7.631 -7.152 -0.964 1.00 0.50 H new ATOM 0 HG23 ILE A 86 6.404 -7.925 -1.996 1.00 0.50 H new ATOM 0 HD11 ILE A 86 3.148 -8.988 0.476 1.00 0.45 H new ATOM 0 HD12 ILE A 86 4.342 -8.172 1.513 1.00 0.45 H new ATOM 0 HD13 ILE A 86 4.061 -7.593 -0.147 1.00 0.45 H new ATOM 1322 N THR A 87 7.814 -10.900 1.688 1.00 0.52 N ATOM 1323 CA THR A 87 7.756 -12.004 2.639 1.00 0.57 C ATOM 1324 C THR A 87 6.431 -12.012 3.397 1.00 0.51 C ATOM 1325 O THR A 87 5.510 -11.263 3.067 1.00 0.48 O ATOM 1326 CB THR A 87 8.911 -11.931 3.655 1.00 0.64 C ATOM 1327 OG1 THR A 87 8.809 -10.731 4.431 1.00 1.18 O ATOM 1328 CG2 THR A 87 10.258 -11.968 2.947 1.00 1.27 C ATOM 0 H THR A 87 8.100 -10.009 2.094 1.00 0.52 H new ATOM 0 HA THR A 87 7.846 -12.923 2.059 1.00 0.57 H new ATOM 0 HB THR A 87 8.839 -12.796 4.314 1.00 0.64 H new ATOM 0 HG1 THR A 87 9.547 -10.694 5.075 1.00 1.18 H new ATOM 0 HG21 THR A 87 11.058 -11.915 3.685 1.00 1.27 H new ATOM 0 HG22 THR A 87 10.346 -12.896 2.381 1.00 1.27 H new ATOM 0 HG23 THR A 87 10.335 -11.120 2.267 1.00 1.27 H new ATOM 1336 N SER A 88 6.344 -12.864 4.414 1.00 0.56 N ATOM 1337 CA SER A 88 5.135 -12.976 5.224 1.00 0.53 C ATOM 1338 C SER A 88 4.888 -11.700 6.022 1.00 0.48 C ATOM 1339 O SER A 88 3.785 -11.155 6.011 1.00 0.48 O ATOM 1340 CB SER A 88 5.246 -14.169 6.173 1.00 0.62 C ATOM 1341 OG SER A 88 6.398 -14.065 6.990 1.00 1.53 O ATOM 0 H SER A 88 7.099 -13.489 4.698 1.00 0.56 H new ATOM 0 HA SER A 88 4.291 -13.128 4.551 1.00 0.53 H new ATOM 0 HB2 SER A 88 4.356 -14.223 6.800 1.00 0.62 H new ATOM 0 HB3 SER A 88 5.287 -15.093 5.597 1.00 0.62 H new ATOM 0 HG SER A 88 6.445 -14.839 7.589 1.00 1.53 H new ATOM 1347 N ASP A 89 5.920 -11.236 6.720 1.00 0.51 N ATOM 1348 CA ASP A 89 5.820 -10.020 7.524 1.00 0.51 C ATOM 1349 C ASP A 89 5.309 -8.851 6.686 1.00 0.44 C ATOM 1350 O ASP A 89 4.417 -8.116 7.108 1.00 0.45 O ATOM 1351 CB ASP A 89 7.180 -9.668 8.129 1.00 0.59 C ATOM 1352 CG ASP A 89 7.146 -8.371 8.915 1.00 1.48 C ATOM 1353 OD1 ASP A 89 6.724 -8.399 10.091 1.00 1.85 O ATOM 1354 OD2 ASP A 89 7.540 -7.327 8.355 1.00 2.34 O ATOM 0 H ASP A 89 6.836 -11.683 6.746 1.00 0.51 H new ATOM 0 HA ASP A 89 5.108 -10.207 8.328 1.00 0.51 H new ATOM 0 HB2 ASP A 89 7.504 -10.477 8.783 1.00 0.59 H new ATOM 0 HB3 ASP A 89 7.919 -9.587 7.332 1.00 0.59 H new ATOM 1359 N GLN A 90 5.883 -8.687 5.499 1.00 0.44 N ATOM 1360 CA GLN A 90 5.485 -7.610 4.600 1.00 0.42 C ATOM 1361 C GLN A 90 4.078 -7.847 4.060 1.00 0.39 C ATOM 1362 O GLN A 90 3.427 -6.924 3.574 1.00 0.52 O ATOM 1363 CB GLN A 90 6.477 -7.493 3.439 1.00 0.49 C ATOM 1364 CG GLN A 90 7.838 -6.957 3.858 1.00 0.59 C ATOM 1365 CD GLN A 90 8.774 -6.742 2.683 1.00 0.75 C ATOM 1366 OE1 GLN A 90 8.215 -6.391 1.531 1.00 1.63 O flip ATOM 1367 NE2 GLN A 90 9.990 -6.882 2.814 1.00 0.91 N flip ATOM 0 H GLN A 90 6.625 -9.286 5.137 1.00 0.44 H new ATOM 0 HA GLN A 90 5.487 -6.678 5.165 1.00 0.42 H new ATOM 0 HB2 GLN A 90 6.606 -8.474 2.981 1.00 0.49 H new ATOM 0 HB3 GLN A 90 6.056 -6.838 2.676 1.00 0.49 H new ATOM 0 HG2 GLN A 90 7.704 -6.013 4.387 1.00 0.59 H new ATOM 0 HG3 GLN A 90 8.297 -7.654 4.559 1.00 0.59 H new ATOM 0 HE21 GLN A 90 10.378 -7.153 3.718 1.00 0.91 H new ATOM 0 HE22 GLN A 90 10.610 -6.727 2.019 1.00 0.91 H new ATOM 1376 N ALA A 91 3.619 -9.089 4.150 1.00 0.37 N ATOM 1377 CA ALA A 91 2.292 -9.456 3.668 1.00 0.37 C ATOM 1378 C ALA A 91 1.212 -9.155 4.705 1.00 0.34 C ATOM 1379 O ALA A 91 0.113 -8.723 4.359 1.00 0.40 O ATOM 1380 CB ALA A 91 2.265 -10.928 3.294 1.00 0.45 C ATOM 0 H ALA A 91 4.148 -9.862 4.554 1.00 0.37 H new ATOM 0 HA ALA A 91 2.078 -8.854 2.785 1.00 0.37 H new ATOM 0 HB1 ALA A 91 1.271 -11.194 2.935 1.00 0.45 H new ATOM 0 HB2 ALA A 91 2.997 -11.117 2.509 1.00 0.45 H new ATOM 0 HB3 ALA A 91 2.508 -11.530 4.169 1.00 0.45 H new ATOM 1386 N ALA A 92 1.530 -9.389 5.973 1.00 0.31 N ATOM 1387 CA ALA A 92 0.582 -9.153 7.057 1.00 0.33 C ATOM 1388 C ALA A 92 0.205 -7.680 7.163 1.00 0.28 C ATOM 1389 O ALA A 92 -0.886 -7.341 7.623 1.00 0.34 O ATOM 1390 CB ALA A 92 1.158 -9.646 8.376 1.00 0.40 C ATOM 0 H ALA A 92 2.437 -9.742 6.276 1.00 0.31 H new ATOM 0 HA ALA A 92 -0.326 -9.712 6.832 1.00 0.33 H new ATOM 0 HB1 ALA A 92 0.441 -9.464 9.177 1.00 0.40 H new ATOM 0 HB2 ALA A 92 1.362 -10.715 8.307 1.00 0.40 H new ATOM 0 HB3 ALA A 92 2.084 -9.113 8.590 1.00 0.40 H new ATOM 1396 N VAL A 93 1.109 -6.805 6.733 1.00 0.26 N ATOM 1397 CA VAL A 93 0.866 -5.369 6.793 1.00 0.30 C ATOM 1398 C VAL A 93 0.011 -4.902 5.615 1.00 0.28 C ATOM 1399 O VAL A 93 -0.851 -4.039 5.770 1.00 0.35 O ATOM 1400 CB VAL A 93 2.199 -4.582 6.844 1.00 0.41 C ATOM 1401 CG1 VAL A 93 2.412 -3.742 5.590 1.00 0.43 C ATOM 1402 CG2 VAL A 93 2.251 -3.715 8.091 1.00 0.55 C ATOM 0 H VAL A 93 2.014 -7.065 6.340 1.00 0.26 H new ATOM 0 HA VAL A 93 0.314 -5.167 7.711 1.00 0.30 H new ATOM 0 HB VAL A 93 3.011 -5.308 6.885 1.00 0.41 H new ATOM 0 HG11 VAL A 93 3.358 -3.206 5.667 1.00 0.43 H new ATOM 0 HG12 VAL A 93 2.433 -4.392 4.716 1.00 0.43 H new ATOM 0 HG13 VAL A 93 1.597 -3.025 5.489 1.00 0.43 H new ATOM 0 HG21 VAL A 93 3.193 -3.167 8.114 1.00 0.55 H new ATOM 0 HG22 VAL A 93 1.421 -3.009 8.078 1.00 0.55 H new ATOM 0 HG23 VAL A 93 2.176 -4.346 8.976 1.00 0.55 H new ATOM 1412 N ILE A 94 0.253 -5.477 4.441 1.00 0.24 N ATOM 1413 CA ILE A 94 -0.508 -5.116 3.250 1.00 0.25 C ATOM 1414 C ILE A 94 -1.881 -5.774 3.277 1.00 0.25 C ATOM 1415 O ILE A 94 -2.830 -5.265 2.690 1.00 0.28 O ATOM 1416 CB ILE A 94 0.226 -5.522 1.959 1.00 0.30 C ATOM 1417 CG1 ILE A 94 1.678 -5.044 1.989 1.00 0.40 C ATOM 1418 CG2 ILE A 94 -0.489 -4.954 0.743 1.00 0.31 C ATOM 1419 CD1 ILE A 94 2.500 -5.578 0.841 1.00 0.52 C ATOM 0 H ILE A 94 0.966 -6.191 4.289 1.00 0.24 H new ATOM 0 HA ILE A 94 -0.619 -4.032 3.255 1.00 0.25 H new ATOM 0 HB ILE A 94 0.223 -6.610 1.892 1.00 0.30 H new ATOM 0 HG12 ILE A 94 1.696 -3.954 1.965 1.00 0.40 H new ATOM 0 HG13 ILE A 94 2.136 -5.350 2.930 1.00 0.40 H new ATOM 0 HG21 ILE A 94 0.042 -5.249 -0.162 1.00 0.31 H new ATOM 0 HG22 ILE A 94 -1.508 -5.338 0.708 1.00 0.31 H new ATOM 0 HG23 ILE A 94 -0.514 -3.866 0.810 1.00 0.31 H new ATOM 0 HD11 ILE A 94 3.520 -5.203 0.919 1.00 0.52 H new ATOM 0 HD12 ILE A 94 2.510 -6.667 0.877 1.00 0.52 H new ATOM 0 HD13 ILE A 94 2.064 -5.250 -0.102 1.00 0.52 H new ATOM 1431 N SER A 95 -1.977 -6.910 3.964 1.00 0.27 N ATOM 1432 CA SER A 95 -3.238 -7.637 4.091 1.00 0.34 C ATOM 1433 C SER A 95 -4.288 -6.766 4.776 1.00 0.39 C ATOM 1434 O SER A 95 -5.480 -7.069 4.752 1.00 0.47 O ATOM 1435 CB SER A 95 -3.027 -8.925 4.888 1.00 0.40 C ATOM 1436 OG SER A 95 -4.235 -9.656 5.007 1.00 0.49 O ATOM 0 H SER A 95 -1.191 -7.349 4.444 1.00 0.27 H new ATOM 0 HA SER A 95 -3.592 -7.893 3.092 1.00 0.34 H new ATOM 0 HB2 SER A 95 -2.273 -9.540 4.397 1.00 0.40 H new ATOM 0 HB3 SER A 95 -2.645 -8.684 5.880 1.00 0.40 H new ATOM 0 HG SER A 95 -4.997 -9.044 4.930 1.00 0.49 H new ATOM 1442 N LYS A 96 -3.822 -5.695 5.407 1.00 0.38 N ATOM 1443 CA LYS A 96 -4.700 -4.763 6.104 1.00 0.46 C ATOM 1444 C LYS A 96 -5.290 -3.748 5.131 1.00 0.45 C ATOM 1445 O LYS A 96 -6.033 -2.849 5.525 1.00 0.53 O ATOM 1446 CB LYS A 96 -3.931 -4.037 7.209 1.00 0.50 C ATOM 1447 CG LYS A 96 -2.917 -4.913 7.922 1.00 0.57 C ATOM 1448 CD LYS A 96 -3.601 -5.813 8.927 1.00 0.80 C ATOM 1449 CE LYS A 96 -3.694 -5.154 10.294 1.00 1.32 C ATOM 1450 NZ LYS A 96 -4.183 -6.102 11.332 1.00 2.12 N ATOM 0 H LYS A 96 -2.833 -5.449 5.450 1.00 0.38 H new ATOM 0 HA LYS A 96 -5.515 -5.332 6.551 1.00 0.46 H new ATOM 0 HB2 LYS A 96 -3.417 -3.178 6.778 1.00 0.50 H new ATOM 0 HB3 LYS A 96 -4.641 -3.650 7.940 1.00 0.50 H new ATOM 0 HG2 LYS A 96 -2.376 -5.518 7.194 1.00 0.57 H new ATOM 0 HG3 LYS A 96 -2.181 -4.288 8.428 1.00 0.57 H new ATOM 0 HD2 LYS A 96 -4.602 -6.061 8.573 1.00 0.80 H new ATOM 0 HD3 LYS A 96 -3.051 -6.750 9.011 1.00 0.80 H new ATOM 0 HE2 LYS A 96 -2.714 -4.774 10.582 1.00 1.32 H new ATOM 0 HE3 LYS A 96 -4.365 -4.297 10.239 1.00 1.32 H new ATOM 0 HZ1 LYS A 96 -4.975 -5.671 11.851 1.00 2.12 H new ATOM 0 HZ2 LYS A 96 -4.505 -6.980 10.876 1.00 2.12 H new ATOM 0 HZ3 LYS A 96 -3.412 -6.319 11.995 1.00 2.12 H new ATOM 1464 N PHE A 97 -4.943 -3.903 3.858 1.00 0.39 N ATOM 1465 CA PHE A 97 -5.395 -2.999 2.803 1.00 0.40 C ATOM 1466 C PHE A 97 -6.895 -2.679 2.856 1.00 0.48 C ATOM 1467 O PHE A 97 -7.318 -1.662 2.303 1.00 0.56 O ATOM 1468 CB PHE A 97 -5.010 -3.529 1.407 1.00 0.37 C ATOM 1469 CG PHE A 97 -5.192 -5.015 1.175 1.00 0.37 C ATOM 1470 CD1 PHE A 97 -5.888 -5.773 2.106 1.00 0.43 C ATOM 1471 CD2 PHE A 97 -4.694 -5.654 0.048 1.00 0.42 C ATOM 1472 CE1 PHE A 97 -6.081 -7.127 1.920 1.00 0.50 C ATOM 1473 CE2 PHE A 97 -4.890 -7.009 -0.143 1.00 0.50 C ATOM 1474 CZ PHE A 97 -5.470 -7.745 0.701 1.00 0.53 C ATOM 0 H PHE A 97 -4.341 -4.657 3.527 1.00 0.39 H new ATOM 0 HA PHE A 97 -4.874 -2.060 2.988 1.00 0.40 H new ATOM 0 HB2 PHE A 97 -5.600 -2.993 0.664 1.00 0.37 H new ATOM 0 HB3 PHE A 97 -3.965 -3.280 1.224 1.00 0.37 H new ATOM 0 HD1 PHE A 97 -6.285 -5.296 2.990 1.00 0.43 H new ATOM 0 HD2 PHE A 97 -4.146 -5.085 -0.689 1.00 0.42 H new ATOM 0 HE1 PHE A 97 -6.649 -7.716 2.625 1.00 0.50 H new ATOM 0 HE2 PHE A 97 -4.530 -7.458 -1.057 1.00 0.50 H new ATOM 0 HZ PHE A 97 -5.525 -8.812 0.546 1.00 0.53 H new ATOM 1484 N TRP A 98 -7.707 -3.517 3.505 1.00 0.52 N ATOM 1485 CA TRP A 98 -9.143 -3.229 3.582 1.00 0.63 C ATOM 1486 C TRP A 98 -9.738 -3.564 4.947 1.00 0.69 C ATOM 1487 O TRP A 98 -10.868 -3.176 5.240 1.00 0.78 O ATOM 1488 CB TRP A 98 -9.930 -3.942 2.470 1.00 0.67 C ATOM 1489 CG TRP A 98 -9.682 -5.419 2.358 1.00 0.66 C ATOM 1490 CD1 TRP A 98 -9.030 -6.058 1.344 1.00 0.74 C ATOM 1491 CD2 TRP A 98 -10.106 -6.446 3.269 1.00 0.72 C ATOM 1492 NE1 TRP A 98 -9.000 -7.411 1.577 1.00 0.85 N ATOM 1493 CE2 TRP A 98 -9.655 -7.674 2.750 1.00 0.83 C ATOM 1494 CE3 TRP A 98 -10.814 -6.449 4.477 1.00 0.78 C ATOM 1495 CZ2 TRP A 98 -9.887 -8.887 3.391 1.00 0.97 C ATOM 1496 CZ3 TRP A 98 -11.045 -7.655 5.112 1.00 0.92 C ATOM 1497 CH2 TRP A 98 -10.582 -8.859 4.569 1.00 1.00 C ATOM 0 H TRP A 98 -7.409 -4.374 3.971 1.00 0.52 H new ATOM 0 HA TRP A 98 -9.238 -2.153 3.437 1.00 0.63 H new ATOM 0 HB2 TRP A 98 -10.995 -3.780 2.639 1.00 0.67 H new ATOM 0 HB3 TRP A 98 -9.684 -3.475 1.516 1.00 0.67 H new ATOM 0 HD1 TRP A 98 -8.599 -5.570 0.482 1.00 0.74 H new ATOM 0 HE1 TRP A 98 -8.561 -8.107 0.974 1.00 0.85 H new ATOM 0 HE3 TRP A 98 -11.173 -5.525 4.905 1.00 0.78 H new ATOM 0 HZ2 TRP A 98 -9.531 -9.817 2.973 1.00 0.97 H new ATOM 0 HZ3 TRP A 98 -11.592 -7.668 6.043 1.00 0.92 H new ATOM 0 HH2 TRP A 98 -10.777 -9.784 5.090 1.00 1.00 H new ATOM 1508 N LYS A 99 -8.992 -4.276 5.782 1.00 0.75 N ATOM 1509 CA LYS A 99 -9.486 -4.634 7.107 1.00 0.91 C ATOM 1510 C LYS A 99 -9.312 -3.474 8.082 1.00 1.11 C ATOM 1511 O LYS A 99 -9.891 -3.467 9.167 1.00 1.33 O ATOM 1512 CB LYS A 99 -8.770 -5.879 7.637 1.00 0.90 C ATOM 1513 CG LYS A 99 -7.351 -5.619 8.117 1.00 0.87 C ATOM 1514 CD LYS A 99 -7.134 -6.133 9.533 1.00 1.38 C ATOM 1515 CE LYS A 99 -7.918 -5.321 10.550 1.00 1.51 C ATOM 1516 NZ LYS A 99 -7.746 -5.847 11.932 1.00 1.67 N ATOM 0 H LYS A 99 -8.053 -4.614 5.570 1.00 0.75 H new ATOM 0 HA LYS A 99 -10.549 -4.857 7.018 1.00 0.91 H new ATOM 0 HB2 LYS A 99 -9.350 -6.297 8.460 1.00 0.90 H new ATOM 0 HB3 LYS A 99 -8.744 -6.633 6.850 1.00 0.90 H new ATOM 0 HG2 LYS A 99 -6.644 -6.102 7.442 1.00 0.87 H new ATOM 0 HG3 LYS A 99 -7.145 -4.549 8.082 1.00 0.87 H new ATOM 0 HD2 LYS A 99 -7.436 -7.179 9.591 1.00 1.38 H new ATOM 0 HD3 LYS A 99 -6.072 -6.094 9.776 1.00 1.38 H new ATOM 0 HE2 LYS A 99 -7.592 -4.282 10.514 1.00 1.51 H new ATOM 0 HE3 LYS A 99 -8.976 -5.332 10.286 1.00 1.51 H new ATOM 0 HZ1 LYS A 99 -8.568 -5.580 12.510 1.00 1.67 H new ATOM 0 HZ2 LYS A 99 -7.666 -6.883 11.901 1.00 1.67 H new ATOM 0 HZ3 LYS A 99 -6.883 -5.445 12.351 1.00 1.67 H new