USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 717 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 111 SER OG : rot 48:sc= 0.918 USER MOD Set 1.2: A 113 TYR OH : rot 159:sc= -0.629 USER MOD Set 2.1: A 103 ASN :FLIP amide:sc= 0.789 F(o=-0.22,f=2.1) USER MOD Set 2.2: A 105 ASN : amide:sc= 1.31 K(o=2.1,f=-5.7!) USER MOD Single : A 24 GLN : amide:sc= -0.185 X(o=-0.18,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.311 K(o=-0.31,f=-6.5!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0282 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.962 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.224 USER MOD Single : A 62 LYS NZ :NH3+ -143:sc= -0.859 (180deg=-3.74!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -2.27 K(o=-2.3,f=-11!) USER MOD Single : A 83 SER OG : rot 10:sc= -1.26 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 GLN : amide:sc= 0.0168 K(o=0.017,f=-2.4!) USER MOD Single : A 102 MET CE :methyl 138:sc=-0.00789 (180deg=-0.642) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot -170:sc= -0.86 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN :FLIP amide:sc= -2.78 F(o=-4.3!,f=-2.8) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -0.0235 X(o=-0.024,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 30 N ALA A 23 6.486 -3.293 -12.635 1.00 0.00 N ATOM 31 CA ALA A 23 6.700 -2.800 -11.288 1.00 0.00 C ATOM 32 C ALA A 23 7.573 -1.550 -11.292 1.00 0.00 C ATOM 33 O ALA A 23 8.243 -1.251 -12.280 1.00 0.00 O ATOM 34 CB ALA A 23 7.331 -3.883 -10.418 1.00 0.00 C ATOM 0 HA ALA A 23 5.729 -2.534 -10.870 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.485 -3.497 -9.410 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.670 -4.748 -10.378 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.290 -4.179 -10.844 1.00 0.00 H new ATOM 40 N GLN A 24 7.560 -0.822 -10.180 1.00 0.00 N ATOM 41 CA GLN A 24 8.351 0.398 -10.047 1.00 0.00 C ATOM 42 C GLN A 24 9.399 0.257 -8.956 1.00 0.00 C ATOM 43 O GLN A 24 9.274 -0.588 -8.061 1.00 0.00 O ATOM 44 CB GLN A 24 7.442 1.592 -9.749 1.00 0.00 C ATOM 45 CG GLN A 24 6.214 1.659 -10.641 1.00 0.00 C ATOM 46 CD GLN A 24 6.555 2.004 -12.078 1.00 0.00 C ATOM 47 OE1 GLN A 24 6.902 3.144 -12.389 1.00 0.00 O ATOM 48 NE2 GLN A 24 6.458 1.019 -12.963 1.00 0.00 N ATOM 0 H GLN A 24 7.008 -1.056 -9.355 1.00 0.00 H new ATOM 0 HA GLN A 24 8.865 0.568 -10.993 1.00 0.00 H new ATOM 0 HB2 GLN A 24 7.122 1.544 -8.708 1.00 0.00 H new ATOM 0 HB3 GLN A 24 8.015 2.512 -9.864 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.697 0.700 -10.614 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.523 2.404 -10.246 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.167 0.089 -12.661 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.675 1.192 -13.945 1.00 0.00 H new ATOM 57 N ASN A 25 10.432 1.091 -9.013 1.00 0.00 N ATOM 58 CA ASN A 25 11.502 1.063 -8.032 1.00 0.00 C ATOM 59 C ASN A 25 11.733 2.449 -7.434 1.00 0.00 C ATOM 60 O ASN A 25 12.354 3.307 -8.062 1.00 0.00 O ATOM 61 CB ASN A 25 12.795 0.542 -8.655 1.00 0.00 C ATOM 62 CG ASN A 25 13.152 1.280 -9.931 1.00 0.00 C ATOM 63 OD1 ASN A 25 12.408 2.148 -10.389 1.00 0.00 O ATOM 64 ND2 ASN A 25 14.296 0.937 -10.520 1.00 0.00 N ATOM 0 H ASN A 25 10.548 1.800 -9.737 1.00 0.00 H new ATOM 0 HA ASN A 25 11.200 0.386 -7.232 1.00 0.00 H new ATOM 0 HB2 ASN A 25 13.609 0.644 -7.938 1.00 0.00 H new ATOM 0 HB3 ASN A 25 12.691 -0.522 -8.869 1.00 0.00 H new ATOM 0 HD21 ASN A 25 14.584 1.399 -11.383 1.00 0.00 H new ATOM 0 HD22 ASN A 25 14.884 0.213 -10.108 1.00 0.00 H new ATOM 71 N ILE A 26 11.228 2.664 -6.223 1.00 0.00 N ATOM 72 CA ILE A 26 11.378 3.948 -5.550 1.00 0.00 C ATOM 73 C ILE A 26 12.390 3.860 -4.413 1.00 0.00 C ATOM 74 O ILE A 26 12.396 2.897 -3.646 1.00 0.00 O ATOM 75 CB ILE A 26 10.034 4.449 -4.987 1.00 0.00 C ATOM 76 CG1 ILE A 26 8.941 4.364 -6.064 1.00 0.00 C ATOM 77 CG2 ILE A 26 10.174 5.873 -4.480 1.00 0.00 C ATOM 78 CD1 ILE A 26 7.774 3.488 -5.658 1.00 0.00 C ATOM 0 H ILE A 26 10.712 1.965 -5.689 1.00 0.00 H new ATOM 0 HA ILE A 26 11.737 4.655 -6.298 1.00 0.00 H new ATOM 0 HB ILE A 26 9.745 3.812 -4.151 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.576 5.367 -6.282 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.376 3.976 -6.985 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.217 6.214 -4.085 1.00 0.00 H new ATOM 0 HG22 ILE A 26 10.925 5.906 -3.691 1.00 0.00 H new ATOM 0 HG23 ILE A 26 10.481 6.523 -5.300 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.037 3.469 -6.461 1.00 0.00 H new ATOM 0 HD12 ILE A 26 8.129 2.475 -5.467 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.316 3.889 -4.754 1.00 0.00 H new ATOM 90 N THR A 27 13.244 4.874 -4.310 1.00 0.00 N ATOM 91 CA THR A 27 14.260 4.914 -3.265 1.00 0.00 C ATOM 92 C THR A 27 13.781 5.733 -2.080 1.00 0.00 C ATOM 93 O THR A 27 13.350 6.877 -2.232 1.00 0.00 O ATOM 94 CB THR A 27 15.562 5.499 -3.813 1.00 0.00 C ATOM 95 OG1 THR A 27 15.297 6.573 -4.697 1.00 0.00 O ATOM 96 CG2 THR A 27 16.406 4.488 -4.559 1.00 0.00 C ATOM 0 H THR A 27 13.252 5.678 -4.937 1.00 0.00 H new ATOM 0 HA THR A 27 14.443 3.893 -2.929 1.00 0.00 H new ATOM 0 HB THR A 27 16.117 5.836 -2.938 1.00 0.00 H new ATOM 0 HG1 THR A 27 16.143 6.935 -5.035 1.00 0.00 H new ATOM 0 HG21 THR A 27 17.315 4.969 -4.921 1.00 0.00 H new ATOM 0 HG22 THR A 27 16.671 3.670 -3.889 1.00 0.00 H new ATOM 0 HG23 THR A 27 15.841 4.096 -5.405 1.00 0.00 H new ATOM 104 N ALA A 28 13.853 5.138 -0.887 1.00 0.00 N ATOM 105 CA ALA A 28 13.424 5.808 0.319 1.00 0.00 C ATOM 106 C ALA A 28 14.486 5.702 1.416 1.00 0.00 C ATOM 107 O ALA A 28 15.385 4.865 1.337 1.00 0.00 O ATOM 108 CB ALA A 28 12.106 5.224 0.812 1.00 0.00 C ATOM 0 H ALA A 28 14.206 4.192 -0.742 1.00 0.00 H new ATOM 0 HA ALA A 28 13.279 6.862 0.082 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.797 5.740 1.721 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.342 5.351 0.045 1.00 0.00 H new ATOM 0 HB3 ALA A 28 12.235 4.162 1.023 1.00 0.00 H new ATOM 114 N ARG A 29 14.374 6.560 2.418 1.00 0.00 N ATOM 115 CA ARG A 29 15.324 6.567 3.532 1.00 0.00 C ATOM 116 C ARG A 29 14.672 6.053 4.805 1.00 0.00 C ATOM 117 O ARG A 29 13.556 6.444 5.147 1.00 0.00 O ATOM 118 CB ARG A 29 15.867 7.981 3.745 1.00 0.00 C ATOM 119 CG ARG A 29 16.858 8.082 4.893 1.00 0.00 C ATOM 120 CD ARG A 29 16.469 9.173 5.878 1.00 0.00 C ATOM 121 NE ARG A 29 16.634 8.742 7.265 1.00 0.00 N ATOM 122 CZ ARG A 29 16.130 9.394 8.309 1.00 0.00 C ATOM 123 NH1 ARG A 29 15.430 10.508 8.131 1.00 0.00 N ATOM 124 NH2 ARG A 29 16.326 8.933 9.544 1.00 0.00 N ATOM 0 H ARG A 29 13.637 7.262 2.488 1.00 0.00 H new ATOM 0 HA ARG A 29 16.151 5.902 3.285 1.00 0.00 H new ATOM 0 HB2 ARG A 29 16.350 8.319 2.828 1.00 0.00 H new ATOM 0 HB3 ARG A 29 15.033 8.657 3.934 1.00 0.00 H new ATOM 0 HG2 ARG A 29 16.912 7.125 5.412 1.00 0.00 H new ATOM 0 HG3 ARG A 29 17.853 8.287 4.498 1.00 0.00 H new ATOM 0 HD2 ARG A 29 17.079 10.058 5.698 1.00 0.00 H new ATOM 0 HD3 ARG A 29 15.432 9.461 5.709 1.00 0.00 H new ATOM 0 HE ARG A 29 17.167 7.891 7.443 1.00 0.00 H new ATOM 0 HH11 ARG A 29 15.276 10.869 7.189 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.046 11.003 8.936 1.00 0.00 H new ATOM 0 HH21 ARG A 29 16.863 8.079 9.690 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.939 9.435 10.343 1.00 0.00 H new ATOM 138 N ILE A 30 15.377 5.170 5.509 1.00 0.00 N ATOM 139 CA ILE A 30 14.867 4.597 6.760 1.00 0.00 C ATOM 140 C ILE A 30 14.488 5.685 7.753 1.00 0.00 C ATOM 141 O ILE A 30 15.226 6.650 7.956 1.00 0.00 O ATOM 142 CB ILE A 30 15.892 3.648 7.414 1.00 0.00 C ATOM 143 CG1 ILE A 30 17.317 4.177 7.235 1.00 0.00 C ATOM 144 CG2 ILE A 30 15.767 2.247 6.844 1.00 0.00 C ATOM 145 CD1 ILE A 30 18.177 4.027 8.471 1.00 0.00 C ATOM 0 H ILE A 30 16.301 4.834 5.238 1.00 0.00 H new ATOM 0 HA ILE A 30 13.977 4.025 6.498 1.00 0.00 H new ATOM 0 HB ILE A 30 15.677 3.604 8.482 1.00 0.00 H new ATOM 0 HG12 ILE A 30 17.790 3.650 6.407 1.00 0.00 H new ATOM 0 HG13 ILE A 30 17.273 5.230 6.959 1.00 0.00 H new ATOM 0 HG21 ILE A 30 16.499 1.594 7.319 1.00 0.00 H new ATOM 0 HG22 ILE A 30 14.764 1.865 7.033 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.948 2.274 5.770 1.00 0.00 H new ATOM 0 HD11 ILE A 30 19.173 4.423 8.272 1.00 0.00 H new ATOM 0 HD12 ILE A 30 17.726 4.578 9.297 1.00 0.00 H new ATOM 0 HD13 ILE A 30 18.252 2.972 8.736 1.00 0.00 H new ATOM 157 N GLY A 31 13.332 5.516 8.390 1.00 0.00 N ATOM 158 CA GLY A 31 12.872 6.486 9.376 1.00 0.00 C ATOM 159 C GLY A 31 12.305 7.745 8.744 1.00 0.00 C ATOM 160 O GLY A 31 11.927 8.681 9.441 1.00 0.00 O ATOM 0 H GLY A 31 12.704 4.726 8.243 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.109 6.025 10.004 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.702 6.755 10.029 1.00 0.00 H new ATOM 164 N GLU A 32 12.245 7.776 7.407 1.00 0.00 N ATOM 165 CA GLU A 32 11.720 8.936 6.695 1.00 0.00 C ATOM 166 C GLU A 32 10.254 8.730 6.315 1.00 0.00 C ATOM 167 O GLU A 32 9.886 7.670 5.811 1.00 0.00 O ATOM 168 CB GLU A 32 12.547 9.201 5.435 1.00 0.00 C ATOM 169 CG GLU A 32 12.504 10.647 4.971 1.00 0.00 C ATOM 170 CD GLU A 32 13.782 11.400 5.289 1.00 0.00 C ATOM 171 OE1 GLU A 32 14.719 11.352 4.465 1.00 0.00 O ATOM 172 OE2 GLU A 32 13.845 12.038 6.361 1.00 0.00 O ATOM 0 H GLU A 32 12.553 7.013 6.804 1.00 0.00 H new ATOM 0 HA GLU A 32 11.787 9.797 7.360 1.00 0.00 H new ATOM 0 HB2 GLU A 32 13.583 8.920 5.625 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.185 8.560 4.632 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.328 10.675 3.896 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.662 11.152 5.444 1.00 0.00 H new ATOM 179 N PRO A 33 9.393 9.742 6.545 1.00 0.00 N ATOM 180 CA PRO A 33 7.970 9.657 6.220 1.00 0.00 C ATOM 181 C PRO A 33 7.733 9.762 4.716 1.00 0.00 C ATOM 182 O PRO A 33 8.323 10.608 4.037 1.00 0.00 O ATOM 183 CB PRO A 33 7.343 10.862 6.935 1.00 0.00 C ATOM 184 CG PRO A 33 8.431 11.449 7.784 1.00 0.00 C ATOM 185 CD PRO A 33 9.727 11.041 7.144 1.00 0.00 C ATOM 0 HA PRO A 33 7.542 8.704 6.531 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.971 11.592 6.216 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.494 10.555 7.546 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.345 12.535 7.832 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.369 11.079 8.807 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.053 11.761 6.394 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.531 10.956 7.875 1.00 0.00 H new ATOM 193 N LEU A 34 6.869 8.899 4.183 1.00 0.00 N ATOM 194 CA LEU A 34 6.565 8.904 2.764 1.00 0.00 C ATOM 195 C LEU A 34 5.068 8.745 2.520 1.00 0.00 C ATOM 196 O LEU A 34 4.399 7.956 3.188 1.00 0.00 O ATOM 197 CB LEU A 34 7.331 7.785 2.045 1.00 0.00 C ATOM 198 CG LEU A 34 8.789 8.112 1.710 1.00 0.00 C ATOM 199 CD1 LEU A 34 8.877 9.408 0.918 1.00 0.00 C ATOM 200 CD2 LEU A 34 9.621 8.204 2.982 1.00 0.00 C ATOM 0 H LEU A 34 6.370 8.189 4.718 1.00 0.00 H new ATOM 0 HA LEU A 34 6.879 9.867 2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.309 6.891 2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.807 7.542 1.121 1.00 0.00 H new ATOM 0 HG LEU A 34 9.190 7.306 1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.920 9.624 0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.315 9.306 -0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.458 10.224 1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.654 8.437 2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 34 9.221 8.990 3.623 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.585 7.251 3.510 1.00 0.00 H new ATOM 212 N VAL A 35 4.550 9.499 1.547 1.00 0.00 N ATOM 213 CA VAL A 35 3.133 9.445 1.209 1.00 0.00 C ATOM 214 C VAL A 35 2.939 9.182 -0.266 1.00 0.00 C ATOM 215 O VAL A 35 3.689 9.693 -1.098 1.00 0.00 O ATOM 216 CB VAL A 35 2.413 10.752 1.597 1.00 0.00 C ATOM 217 CG1 VAL A 35 0.913 10.632 1.375 1.00 0.00 C ATOM 218 CG2 VAL A 35 2.716 11.112 3.043 1.00 0.00 C ATOM 0 H VAL A 35 5.093 10.152 0.982 1.00 0.00 H new ATOM 0 HA VAL A 35 2.698 8.624 1.778 1.00 0.00 H new ATOM 0 HB VAL A 35 2.784 11.552 0.956 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.428 11.567 1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.716 10.423 0.323 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.519 9.820 1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.201 12.037 3.303 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.374 10.310 3.697 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.790 11.248 3.167 1.00 0.00 H new ATOM 228 N LEU A 36 1.934 8.375 -0.608 1.00 0.00 N ATOM 229 CA LEU A 36 1.656 8.043 -1.993 1.00 0.00 C ATOM 230 C LEU A 36 0.153 7.987 -2.264 1.00 0.00 C ATOM 231 O LEU A 36 -0.636 7.707 -1.354 1.00 0.00 O ATOM 232 CB LEU A 36 2.301 6.702 -2.355 1.00 0.00 C ATOM 233 CG LEU A 36 3.534 6.802 -3.254 1.00 0.00 C ATOM 234 CD1 LEU A 36 4.457 5.615 -3.032 1.00 0.00 C ATOM 235 CD2 LEU A 36 3.121 6.883 -4.724 1.00 0.00 C ATOM 0 H LEU A 36 1.300 7.941 0.063 1.00 0.00 H new ATOM 0 HA LEU A 36 2.083 8.830 -2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.581 6.190 -1.434 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.557 6.080 -2.852 1.00 0.00 H new ATOM 0 HG LEU A 36 4.073 7.713 -2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.328 5.705 -3.681 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.780 5.595 -1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.925 4.692 -3.264 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.011 6.954 -5.349 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.558 5.989 -4.994 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.498 7.764 -4.879 1.00 0.00 H new ATOM 247 N LYS A 37 -0.232 8.255 -3.501 1.00 0.00 N ATOM 248 CA LYS A 37 -1.639 8.235 -3.896 1.00 0.00 C ATOM 249 C LYS A 37 -1.922 7.100 -4.867 1.00 0.00 C ATOM 250 O LYS A 37 -1.279 6.992 -5.911 1.00 0.00 O ATOM 251 CB LYS A 37 -2.033 9.573 -4.518 1.00 0.00 C ATOM 252 CG LYS A 37 -2.399 10.642 -3.502 1.00 0.00 C ATOM 253 CD LYS A 37 -1.163 11.221 -2.835 1.00 0.00 C ATOM 254 CE LYS A 37 -0.480 12.249 -3.722 1.00 0.00 C ATOM 255 NZ LYS A 37 -1.089 13.600 -3.579 1.00 0.00 N ATOM 0 H LYS A 37 0.412 8.491 -4.256 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.238 8.070 -3.000 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.207 9.935 -5.130 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.880 9.416 -5.186 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.955 11.439 -3.995 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.057 10.216 -2.745 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.442 11.684 -1.889 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.464 10.418 -2.603 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.579 12.300 -3.469 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.544 11.930 -4.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.594 14.271 -4.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.094 13.558 -3.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.005 13.916 -2.592 1.00 0.00 H new ATOM 269 N CYS A 38 -2.893 6.260 -4.532 1.00 0.00 N ATOM 270 CA CYS A 38 -3.267 5.136 -5.384 1.00 0.00 C ATOM 271 C CYS A 38 -4.531 5.461 -6.166 1.00 0.00 C ATOM 272 O CYS A 38 -5.550 5.848 -5.593 1.00 0.00 O ATOM 273 CB CYS A 38 -3.480 3.876 -4.531 1.00 0.00 C ATOM 274 SG CYS A 38 -2.361 2.500 -4.953 1.00 0.00 S ATOM 0 H CYS A 38 -3.438 6.336 -3.673 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.459 4.950 -6.092 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.344 4.133 -3.481 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.511 3.541 -4.646 1.00 0.00 H new ATOM 279 N LYS A 39 -4.457 5.308 -7.485 1.00 0.00 N ATOM 280 CA LYS A 39 -5.596 5.591 -8.354 1.00 0.00 C ATOM 281 C LYS A 39 -6.840 4.831 -7.897 1.00 0.00 C ATOM 282 O LYS A 39 -6.749 3.700 -7.428 1.00 0.00 O ATOM 283 CB LYS A 39 -5.263 5.228 -9.802 1.00 0.00 C ATOM 284 CG LYS A 39 -5.068 3.737 -10.040 1.00 0.00 C ATOM 285 CD LYS A 39 -5.748 3.275 -11.310 1.00 0.00 C ATOM 286 CE LYS A 39 -7.073 2.590 -11.018 1.00 0.00 C ATOM 287 NZ LYS A 39 -7.754 2.142 -12.266 1.00 0.00 N ATOM 0 H LYS A 39 -3.621 4.990 -7.976 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.807 6.659 -8.294 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.064 5.586 -10.449 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.355 5.754 -10.098 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.002 3.515 -10.097 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.465 3.179 -9.192 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.916 4.130 -11.965 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.093 2.588 -11.845 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.902 1.731 -10.369 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.724 3.275 -10.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.654 1.680 -12.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.940 2.965 -12.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.144 1.468 -12.772 1.00 0.00 H new ATOM 301 N GLY A 40 -8.000 5.463 -8.056 1.00 0.00 N ATOM 302 CA GLY A 40 -9.245 4.834 -7.656 1.00 0.00 C ATOM 303 C GLY A 40 -10.375 5.833 -7.504 1.00 0.00 C ATOM 304 O GLY A 40 -10.136 7.026 -7.307 1.00 0.00 O ATOM 0 H GLY A 40 -8.099 6.397 -8.454 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.524 4.084 -8.396 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.097 4.310 -6.712 1.00 0.00 H new ATOM 421 N ARG A 48 -15.603 -1.134 -2.646 1.00 0.00 N ATOM 422 CA ARG A 48 -14.772 -2.200 -2.099 1.00 0.00 C ATOM 423 C ARG A 48 -13.312 -2.011 -2.498 1.00 0.00 C ATOM 424 O ARG A 48 -13.014 -1.527 -3.591 1.00 0.00 O ATOM 425 CB ARG A 48 -15.276 -3.564 -2.588 1.00 0.00 C ATOM 426 CG ARG A 48 -16.040 -4.339 -1.519 1.00 0.00 C ATOM 427 CD ARG A 48 -15.890 -5.839 -1.707 1.00 0.00 C ATOM 428 NE ARG A 48 -14.680 -6.353 -1.070 1.00 0.00 N ATOM 429 CZ ARG A 48 -14.311 -7.632 -1.102 1.00 0.00 C ATOM 430 NH1 ARG A 48 -15.053 -8.529 -1.738 1.00 0.00 N ATOM 431 NH2 ARG A 48 -13.195 -8.014 -0.495 1.00 0.00 N ATOM 0 HA ARG A 48 -14.839 -2.161 -1.012 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.923 -3.417 -3.453 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -14.427 -4.160 -2.923 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -15.675 -4.056 -0.532 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -17.096 -4.070 -1.557 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -16.761 -6.345 -1.291 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -15.865 -6.070 -2.772 1.00 0.00 H new ATOM 0 HE ARG A 48 -14.083 -5.693 -0.571 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -15.912 -8.241 -2.206 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -14.765 -9.507 -1.759 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.621 -7.328 -0.005 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.911 -8.993 -0.519 1.00 0.00 H new ATOM 445 N LEU A 49 -12.406 -2.393 -1.606 1.00 0.00 N ATOM 446 CA LEU A 49 -10.976 -2.266 -1.862 1.00 0.00 C ATOM 447 C LEU A 49 -10.179 -3.219 -0.977 1.00 0.00 C ATOM 448 O LEU A 49 -10.498 -3.402 0.182 1.00 0.00 O ATOM 449 CB LEU A 49 -10.519 -0.825 -1.622 1.00 0.00 C ATOM 450 CG LEU A 49 -9.018 -0.582 -1.803 1.00 0.00 C ATOM 451 CD1 LEU A 49 -8.773 0.742 -2.513 1.00 0.00 C ATOM 452 CD2 LEU A 49 -8.308 -0.607 -0.458 1.00 0.00 C ATOM 0 H LEU A 49 -12.637 -2.794 -0.697 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.794 -2.528 -2.904 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -11.062 -0.170 -2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -10.799 -0.535 -0.609 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.612 -1.383 -2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.701 0.898 -2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.249 0.722 -3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.194 1.555 -1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.242 -0.433 -0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.718 0.173 0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.455 -1.579 0.013 1.00 0.00 H new ATOM 464 N GLU A 50 -9.143 -3.825 -1.556 1.00 0.00 N ATOM 465 CA GLU A 50 -8.303 -4.759 -0.816 1.00 0.00 C ATOM 466 C GLU A 50 -6.825 -4.427 -0.987 1.00 0.00 C ATOM 467 O GLU A 50 -6.376 -4.119 -2.091 1.00 0.00 O ATOM 468 CB GLU A 50 -8.573 -6.193 -1.270 1.00 0.00 C ATOM 469 CG GLU A 50 -8.420 -6.389 -2.769 1.00 0.00 C ATOM 470 CD GLU A 50 -9.537 -7.221 -3.366 1.00 0.00 C ATOM 471 OE1 GLU A 50 -10.686 -6.731 -3.407 1.00 0.00 O ATOM 472 OE2 GLU A 50 -9.265 -8.364 -3.790 1.00 0.00 O ATOM 0 H GLU A 50 -8.868 -3.686 -2.528 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.553 -4.667 0.241 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.890 -6.865 -0.751 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.584 -6.476 -0.975 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.396 -5.415 -3.258 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.464 -6.872 -2.973 1.00 0.00 H new ATOM 479 N TRP A 51 -6.072 -4.496 0.091 1.00 0.00 N ATOM 480 CA TRP A 51 -4.644 -4.205 0.055 1.00 0.00 C ATOM 481 C TRP A 51 -3.830 -5.495 0.033 1.00 0.00 C ATOM 482 O TRP A 51 -4.019 -6.375 0.874 1.00 0.00 O ATOM 483 CB TRP A 51 -4.245 -3.352 1.263 1.00 0.00 C ATOM 484 CG TRP A 51 -3.720 -2.002 0.892 1.00 0.00 C ATOM 485 CD1 TRP A 51 -4.440 -0.849 0.757 1.00 0.00 C ATOM 486 CD2 TRP A 51 -2.363 -1.665 0.584 1.00 0.00 C ATOM 487 NE1 TRP A 51 -3.614 0.185 0.391 1.00 0.00 N ATOM 488 CE2 TRP A 51 -2.334 -0.290 0.273 1.00 0.00 C ATOM 489 CE3 TRP A 51 -1.169 -2.390 0.530 1.00 0.00 C ATOM 490 CZ2 TRP A 51 -1.158 0.372 -0.057 1.00 0.00 C ATOM 491 CZ3 TRP A 51 -0.003 -1.733 0.187 1.00 0.00 C ATOM 492 CH2 TRP A 51 -0.005 -0.364 -0.094 1.00 0.00 C ATOM 0 H TRP A 51 -6.424 -4.753 1.013 1.00 0.00 H new ATOM 0 HA TRP A 51 -4.432 -3.647 -0.857 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -5.111 -3.230 1.914 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -3.486 -3.883 1.838 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -5.505 -0.763 0.915 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -3.906 1.150 0.233 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -1.158 -3.447 0.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -1.154 1.429 -0.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 0.924 -2.285 0.135 1.00 0.00 H new ATOM 0 HH2 TRP A 51 0.925 0.124 -0.346 1.00 0.00 H new ATOM 503 N LYS A 52 -2.924 -5.604 -0.919 1.00 0.00 N ATOM 504 CA LYS A 52 -2.085 -6.790 -1.047 1.00 0.00 C ATOM 505 C LYS A 52 -0.649 -6.408 -1.393 1.00 0.00 C ATOM 506 O LYS A 52 -0.414 -5.522 -2.215 1.00 0.00 O ATOM 507 CB LYS A 52 -2.652 -7.727 -2.124 1.00 0.00 C ATOM 508 CG LYS A 52 -3.083 -9.078 -1.570 1.00 0.00 C ATOM 509 CD LYS A 52 -3.686 -9.954 -2.657 1.00 0.00 C ATOM 510 CE LYS A 52 -4.726 -10.909 -2.093 1.00 0.00 C ATOM 511 NZ LYS A 52 -4.493 -12.310 -2.538 1.00 0.00 N ATOM 0 H LYS A 52 -2.746 -4.885 -1.620 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.081 -7.308 -0.088 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.506 -7.247 -2.602 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.899 -7.881 -2.897 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.224 -9.583 -1.128 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.812 -8.931 -0.773 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.145 -9.325 -3.420 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.896 -10.523 -3.146 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.706 -10.866 -1.004 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.720 -10.589 -2.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.223 -12.929 -2.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.538 -12.357 -3.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.555 -12.625 -2.217 1.00 0.00 H new ATOM 525 N LEU A 53 0.306 -7.081 -0.768 1.00 0.00 N ATOM 526 CA LEU A 53 1.718 -6.811 -1.003 1.00 0.00 C ATOM 527 C LEU A 53 2.554 -8.075 -0.836 1.00 0.00 C ATOM 528 O LEU A 53 2.175 -8.984 -0.089 1.00 0.00 O ATOM 529 CB LEU A 53 2.220 -5.719 -0.064 1.00 0.00 C ATOM 530 CG LEU A 53 1.776 -5.874 1.392 1.00 0.00 C ATOM 531 CD1 LEU A 53 2.851 -6.583 2.195 1.00 0.00 C ATOM 532 CD2 LEU A 53 1.451 -4.515 2.000 1.00 0.00 C ATOM 0 H LEU A 53 0.128 -7.822 -0.090 1.00 0.00 H new ATOM 0 HA LEU A 53 1.825 -6.465 -2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.309 -5.702 -0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.875 -4.754 -0.434 1.00 0.00 H new ATOM 0 HG LEU A 53 0.871 -6.480 1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.523 -6.687 3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.031 -7.571 1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.772 -6.001 2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.137 -4.645 3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.336 -3.880 1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.647 -4.046 1.433 1.00 0.00 H new ATOM 544 N ASN A 54 3.691 -8.126 -1.513 1.00 0.00 N ATOM 545 CA ASN A 54 4.581 -9.278 -1.434 1.00 0.00 C ATOM 546 C ASN A 54 5.867 -8.921 -0.694 1.00 0.00 C ATOM 547 O ASN A 54 6.593 -8.011 -1.094 1.00 0.00 O ATOM 548 CB ASN A 54 4.913 -9.790 -2.837 1.00 0.00 C ATOM 549 CG ASN A 54 3.671 -10.164 -3.632 1.00 0.00 C ATOM 550 OD1 ASN A 54 2.991 -11.139 -3.305 1.00 0.00 O ATOM 551 ND2 ASN A 54 3.370 -9.387 -4.658 1.00 0.00 N ATOM 0 H ASN A 54 4.022 -7.381 -2.126 1.00 0.00 H new ATOM 0 HA ASN A 54 4.069 -10.064 -0.879 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.469 -9.024 -3.377 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.565 -10.660 -2.758 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.542 -9.583 -5.220 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.966 -8.592 -4.887 1.00 0.00 H new ATOM 558 N THR A 55 6.142 -9.644 0.371 1.00 0.00 N ATOM 559 CA THR A 55 7.340 -9.403 1.166 1.00 0.00 C ATOM 560 C THR A 55 7.847 -10.696 1.795 1.00 0.00 C ATOM 561 O THR A 55 7.067 -11.603 2.096 1.00 0.00 O ATOM 562 CB THR A 55 7.053 -8.372 2.268 1.00 0.00 C ATOM 563 OG1 THR A 55 5.761 -8.568 2.806 1.00 0.00 O ATOM 564 CG2 THR A 55 7.132 -6.942 1.770 1.00 0.00 C ATOM 0 H THR A 55 5.555 -10.406 0.711 1.00 0.00 H new ATOM 0 HA THR A 55 8.110 -9.013 0.500 1.00 0.00 H new ATOM 0 HB THR A 55 7.822 -8.524 3.025 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.595 -7.904 3.508 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.920 -6.258 2.592 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.132 -6.746 1.384 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.400 -6.792 0.976 1.00 0.00 H new ATOM 572 N GLY A 56 9.158 -10.775 1.999 1.00 0.00 N ATOM 573 CA GLY A 56 9.748 -11.959 2.600 1.00 0.00 C ATOM 574 C GLY A 56 9.331 -12.152 4.037 1.00 0.00 C ATOM 575 O GLY A 56 8.671 -13.135 4.374 1.00 0.00 O ATOM 0 H GLY A 56 9.823 -10.040 1.759 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.460 -12.837 2.021 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.834 -11.885 2.548 1.00 0.00 H new ATOM 579 N ARG A 57 9.719 -11.212 4.891 1.00 0.00 N ATOM 580 CA ARG A 57 9.384 -11.279 6.309 1.00 0.00 C ATOM 581 C ARG A 57 7.886 -11.078 6.525 1.00 0.00 C ATOM 582 O ARG A 57 7.327 -11.537 7.522 1.00 0.00 O ATOM 583 CB ARG A 57 10.170 -10.224 7.089 1.00 0.00 C ATOM 584 CG ARG A 57 10.638 -10.700 8.454 1.00 0.00 C ATOM 585 CD ARG A 57 9.564 -10.501 9.511 1.00 0.00 C ATOM 586 NE ARG A 57 10.017 -10.916 10.837 1.00 0.00 N ATOM 587 CZ ARG A 57 10.804 -10.178 11.617 1.00 0.00 C ATOM 588 NH1 ARG A 57 11.226 -8.988 11.209 1.00 0.00 N ATOM 589 NH2 ARG A 57 11.169 -10.632 12.807 1.00 0.00 N ATOM 0 H ARG A 57 10.267 -10.393 4.626 1.00 0.00 H new ATOM 0 HA ARG A 57 9.655 -12.269 6.675 1.00 0.00 H new ATOM 0 HB2 ARG A 57 11.037 -9.921 6.502 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.547 -9.339 7.216 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.906 -11.755 8.400 1.00 0.00 H new ATOM 0 HG3 ARG A 57 11.538 -10.156 8.741 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.274 -9.451 9.539 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.676 -11.070 9.237 1.00 0.00 H new ATOM 0 HE ARG A 57 9.712 -11.825 11.186 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.948 -8.634 10.294 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.829 -8.427 11.811 1.00 0.00 H new ATOM 0 HH21 ARG A 57 10.847 -11.546 13.125 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.772 -10.067 13.405 1.00 0.00 H new ATOM 603 N THR A 58 7.242 -10.390 5.586 1.00 0.00 N ATOM 604 CA THR A 58 5.809 -10.127 5.674 1.00 0.00 C ATOM 605 C THR A 58 5.495 -9.202 6.852 1.00 0.00 C ATOM 606 O THR A 58 5.335 -9.652 7.979 1.00 0.00 O ATOM 607 CB THR A 58 5.031 -11.437 5.828 1.00 0.00 C ATOM 608 OG1 THR A 58 5.761 -12.519 5.273 1.00 0.00 O ATOM 609 CG2 THR A 58 3.677 -11.407 5.145 1.00 0.00 C ATOM 0 H THR A 58 7.690 -10.004 4.755 1.00 0.00 H new ATOM 0 HA THR A 58 5.503 -9.635 4.751 1.00 0.00 H new ATOM 0 HB THR A 58 4.883 -11.565 6.900 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.250 -13.348 5.382 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.175 -12.364 5.290 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.070 -10.610 5.575 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.811 -11.226 4.079 1.00 0.00 H new ATOM 617 N GLU A 59 5.404 -7.907 6.559 1.00 0.00 N ATOM 618 CA GLU A 59 5.105 -6.916 7.586 1.00 0.00 C ATOM 619 C GLU A 59 4.590 -5.624 6.958 1.00 0.00 C ATOM 620 O GLU A 59 5.284 -4.608 6.939 1.00 0.00 O ATOM 621 CB GLU A 59 6.352 -6.634 8.430 1.00 0.00 C ATOM 622 CG GLU A 59 6.063 -6.504 9.917 1.00 0.00 C ATOM 623 CD GLU A 59 6.621 -7.658 10.725 1.00 0.00 C ATOM 624 OE1 GLU A 59 6.893 -8.723 10.131 1.00 0.00 O ATOM 625 OE2 GLU A 59 6.788 -7.498 11.953 1.00 0.00 O ATOM 0 H GLU A 59 5.533 -7.522 5.623 1.00 0.00 H new ATOM 0 HA GLU A 59 4.325 -7.318 8.233 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.073 -7.437 8.277 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.819 -5.715 8.077 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.487 -5.570 10.285 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.985 -6.447 10.070 1.00 0.00 H new ATOM 632 N ALA A 60 3.363 -5.672 6.452 1.00 0.00 N ATOM 633 CA ALA A 60 2.747 -4.506 5.814 1.00 0.00 C ATOM 634 C ALA A 60 1.380 -4.843 5.229 1.00 0.00 C ATOM 635 O ALA A 60 0.507 -3.981 5.130 1.00 0.00 O ATOM 636 CB ALA A 60 3.657 -3.941 4.740 1.00 0.00 C ATOM 0 H ALA A 60 2.772 -6.503 6.469 1.00 0.00 H new ATOM 0 HA ALA A 60 2.602 -3.749 6.585 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.181 -3.076 4.278 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.604 -3.639 5.187 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.841 -4.702 3.981 1.00 0.00 H new ATOM 642 N TRP A 61 1.202 -6.100 4.842 1.00 0.00 N ATOM 643 CA TRP A 61 -0.059 -6.550 4.272 1.00 0.00 C ATOM 644 C TRP A 61 -1.218 -6.290 5.221 1.00 0.00 C ATOM 645 O TRP A 61 -1.271 -6.849 6.324 1.00 0.00 O ATOM 646 CB TRP A 61 0.017 -8.041 3.923 1.00 0.00 C ATOM 647 CG TRP A 61 -1.277 -8.608 3.422 1.00 0.00 C ATOM 648 CD1 TRP A 61 -2.055 -8.113 2.424 1.00 0.00 C ATOM 649 CD2 TRP A 61 -1.946 -9.778 3.909 1.00 0.00 C ATOM 650 NE1 TRP A 61 -3.166 -8.903 2.246 1.00 0.00 N ATOM 651 CE2 TRP A 61 -3.121 -9.931 3.150 1.00 0.00 C ATOM 652 CE3 TRP A 61 -1.664 -10.712 4.911 1.00 0.00 C ATOM 653 CZ2 TRP A 61 -4.013 -10.980 3.363 1.00 0.00 C ATOM 654 CZ3 TRP A 61 -2.550 -11.751 5.121 1.00 0.00 C ATOM 655 CH2 TRP A 61 -3.712 -11.879 4.350 1.00 0.00 C ATOM 0 H TRP A 61 1.916 -6.825 4.913 1.00 0.00 H new ATOM 0 HA TRP A 61 -0.237 -5.980 3.360 1.00 0.00 H new ATOM 0 HB2 TRP A 61 0.786 -8.189 3.165 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.329 -8.597 4.807 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -1.832 -7.225 1.852 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.901 -8.749 1.556 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -0.770 -10.623 5.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -4.910 -11.080 2.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -2.343 -12.477 5.893 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -4.384 -12.703 4.538 1.00 0.00 H new ATOM 666 N LYS A 62 -2.141 -5.433 4.799 1.00 0.00 N ATOM 667 CA LYS A 62 -3.299 -5.092 5.617 1.00 0.00 C ATOM 668 C LYS A 62 -4.588 -5.203 4.811 1.00 0.00 C ATOM 669 O LYS A 62 -4.601 -4.962 3.603 1.00 0.00 O ATOM 670 CB LYS A 62 -3.153 -3.675 6.175 1.00 0.00 C ATOM 671 CG LYS A 62 -4.088 -3.377 7.344 1.00 0.00 C ATOM 672 CD LYS A 62 -4.747 -2.015 7.196 1.00 0.00 C ATOM 673 CE LYS A 62 -6.029 -1.925 8.008 1.00 0.00 C ATOM 674 NZ LYS A 62 -6.289 -0.537 8.480 1.00 0.00 N ATOM 0 H LYS A 62 -2.110 -4.962 3.895 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.349 -5.799 6.445 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.123 -3.526 6.498 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.344 -2.958 5.377 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.855 -4.149 7.404 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.527 -3.412 8.278 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.055 -1.238 7.520 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.967 -1.828 6.145 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.868 -2.266 7.401 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.964 -2.594 8.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.701 -0.566 9.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.395 -0.006 8.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.952 -0.068 7.831 1.00 0.00 H new ATOM 688 N VAL A 63 -5.673 -5.567 5.496 1.00 0.00 N ATOM 689 CA VAL A 63 -6.969 -5.708 4.844 1.00 0.00 C ATOM 690 C VAL A 63 -7.907 -4.574 5.244 1.00 0.00 C ATOM 691 O VAL A 63 -8.111 -4.314 6.422 1.00 0.00 O ATOM 692 CB VAL A 63 -7.629 -7.054 5.185 1.00 0.00 C ATOM 693 CG1 VAL A 63 -8.877 -7.270 4.352 1.00 0.00 C ATOM 694 CG2 VAL A 63 -6.644 -8.198 4.997 1.00 0.00 C ATOM 0 H VAL A 63 -5.677 -5.768 6.496 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.790 -5.667 3.770 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.926 -7.032 6.234 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.326 -8.229 4.611 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.590 -6.470 4.551 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.614 -7.267 3.294 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.131 -9.142 5.244 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.309 -8.223 3.960 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.786 -8.051 5.652 1.00 0.00 H new ATOM 704 N LEU A 64 -8.475 -3.903 4.248 1.00 0.00 N ATOM 705 CA LEU A 64 -9.392 -2.796 4.500 1.00 0.00 C ATOM 706 C LEU A 64 -10.832 -3.290 4.573 1.00 0.00 C ATOM 707 O LEU A 64 -11.338 -3.919 3.652 1.00 0.00 O ATOM 708 CB LEU A 64 -9.264 -1.741 3.400 1.00 0.00 C ATOM 709 CG LEU A 64 -8.049 -0.820 3.517 1.00 0.00 C ATOM 710 CD1 LEU A 64 -6.808 -1.498 2.958 1.00 0.00 C ATOM 711 CD2 LEU A 64 -8.305 0.499 2.812 1.00 0.00 C ATOM 0 H LEU A 64 -8.318 -4.105 3.261 1.00 0.00 H new ATOM 0 HA LEU A 64 -9.128 -2.350 5.459 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.224 -2.248 2.436 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.165 -1.128 3.400 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.878 -0.612 4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.954 -0.827 3.050 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.612 -2.414 3.515 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.968 -1.740 1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.428 1.139 2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.506 0.314 1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.165 0.992 3.264 1.00 0.00 H new ATOM 723 N SER A 65 -11.489 -2.998 5.691 1.00 0.00 N ATOM 724 CA SER A 65 -12.873 -3.411 5.897 1.00 0.00 C ATOM 725 C SER A 65 -13.795 -2.197 5.987 1.00 0.00 C ATOM 726 O SER A 65 -13.334 -1.069 6.165 1.00 0.00 O ATOM 727 CB SER A 65 -12.992 -4.253 7.176 1.00 0.00 C ATOM 728 OG SER A 65 -12.964 -5.638 6.867 1.00 0.00 O ATOM 0 H SER A 65 -11.085 -2.477 6.469 1.00 0.00 H new ATOM 0 HA SER A 65 -13.178 -4.015 5.042 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.175 -4.010 7.855 1.00 0.00 H new ATOM 0 HB3 SER A 65 -13.920 -4.009 7.693 1.00 0.00 H new ATOM 0 HG SER A 65 -13.039 -6.159 7.694 1.00 0.00 H new ATOM 734 N PRO A 66 -15.117 -2.413 5.865 1.00 0.00 N ATOM 735 CA PRO A 66 -16.104 -1.331 5.935 1.00 0.00 C ATOM 736 C PRO A 66 -16.180 -0.697 7.322 1.00 0.00 C ATOM 737 O PRO A 66 -16.773 0.367 7.504 1.00 0.00 O ATOM 738 CB PRO A 66 -17.425 -2.026 5.591 1.00 0.00 C ATOM 739 CG PRO A 66 -17.202 -3.459 5.940 1.00 0.00 C ATOM 740 CD PRO A 66 -15.750 -3.728 5.653 1.00 0.00 C ATOM 0 HA PRO A 66 -15.852 -0.511 5.263 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -18.254 -1.604 6.160 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -17.671 -1.909 4.535 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.435 -3.647 6.988 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -17.845 -4.111 5.348 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -15.341 -4.485 6.322 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -15.600 -4.088 4.635 1.00 0.00 H new ATOM 748 N GLN A 67 -15.577 -1.358 8.305 1.00 0.00 N ATOM 749 CA GLN A 67 -15.577 -0.856 9.674 1.00 0.00 C ATOM 750 C GLN A 67 -14.593 -1.635 10.548 1.00 0.00 C ATOM 751 O GLN A 67 -14.944 -2.657 11.130 1.00 0.00 O ATOM 752 CB GLN A 67 -16.983 -0.946 10.273 1.00 0.00 C ATOM 753 CG GLN A 67 -17.339 0.230 11.167 1.00 0.00 C ATOM 754 CD GLN A 67 -18.767 0.166 11.673 1.00 0.00 C ATOM 755 OE1 GLN A 67 -19.016 -0.221 12.815 1.00 0.00 O ATOM 756 NE2 GLN A 67 -19.714 0.547 10.823 1.00 0.00 N ATOM 0 H GLN A 67 -15.083 -2.241 8.179 1.00 0.00 H new ATOM 0 HA GLN A 67 -15.263 0.187 9.647 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -17.710 -1.010 9.464 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -17.065 -1.868 10.849 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -16.657 0.255 12.017 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -17.194 1.158 10.615 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -19.462 0.861 9.886 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -20.693 0.526 11.108 1.00 0.00 H new ATOM 765 N GLY A 68 -13.359 -1.146 10.611 1.00 0.00 N ATOM 766 CA GLY A 68 -12.342 -1.810 11.407 1.00 0.00 C ATOM 767 C GLY A 68 -10.942 -1.326 11.088 1.00 0.00 C ATOM 768 O GLY A 68 -10.739 -0.150 10.779 1.00 0.00 O ATOM 0 H GLY A 68 -13.045 -0.305 10.127 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -12.548 -1.643 12.464 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.398 -2.885 11.237 1.00 0.00 H new ATOM 772 N GLY A 69 -9.975 -2.236 11.141 1.00 0.00 N ATOM 773 CA GLY A 69 -8.600 -1.879 10.856 1.00 0.00 C ATOM 774 C GLY A 69 -7.671 -3.078 10.874 1.00 0.00 C ATOM 775 O GLY A 69 -8.089 -4.201 10.600 1.00 0.00 O ATOM 0 H GLY A 69 -10.121 -3.217 11.377 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -8.548 -1.398 9.879 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.259 -1.148 11.589 1.00 0.00 H new ATOM 779 N GLY A 70 -6.409 -2.840 11.213 1.00 0.00 N ATOM 780 CA GLY A 70 -5.440 -3.919 11.267 1.00 0.00 C ATOM 781 C GLY A 70 -4.143 -3.503 11.939 1.00 0.00 C ATOM 782 O GLY A 70 -3.931 -2.320 12.203 1.00 0.00 O ATOM 0 H GLY A 70 -6.040 -1.920 11.451 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.870 -4.763 11.806 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -5.227 -4.263 10.255 1.00 0.00 H new ATOM 786 N PRO A 71 -3.249 -4.464 12.230 1.00 0.00 N ATOM 787 CA PRO A 71 -1.964 -4.179 12.878 1.00 0.00 C ATOM 788 C PRO A 71 -1.159 -3.121 12.131 1.00 0.00 C ATOM 789 O PRO A 71 -0.487 -2.291 12.752 1.00 0.00 O ATOM 790 CB PRO A 71 -1.238 -5.525 12.852 1.00 0.00 C ATOM 791 CG PRO A 71 -2.323 -6.541 12.753 1.00 0.00 C ATOM 792 CD PRO A 71 -3.420 -5.902 11.951 1.00 0.00 C ATOM 0 HA PRO A 71 -2.098 -3.776 13.882 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.556 -5.590 12.004 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.641 -5.670 13.753 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.964 -7.449 12.268 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.680 -6.828 13.742 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.321 -6.120 10.888 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.403 -6.258 12.259 1.00 0.00 H new ATOM 800 N TRP A 72 -1.230 -3.158 10.805 1.00 0.00 N ATOM 801 CA TRP A 72 -0.506 -2.203 9.974 1.00 0.00 C ATOM 802 C TRP A 72 -1.106 -0.805 10.093 1.00 0.00 C ATOM 803 O TRP A 72 -0.420 0.193 9.875 1.00 0.00 O ATOM 804 CB TRP A 72 -0.520 -2.653 8.520 1.00 0.00 C ATOM 805 CG TRP A 72 0.332 -1.801 7.622 1.00 0.00 C ATOM 806 CD1 TRP A 72 1.695 -1.701 7.642 1.00 0.00 C ATOM 807 CD2 TRP A 72 -0.119 -0.927 6.581 1.00 0.00 C ATOM 808 NE1 TRP A 72 2.117 -0.819 6.677 1.00 0.00 N ATOM 809 CE2 TRP A 72 1.023 -0.331 6.020 1.00 0.00 C ATOM 810 CE3 TRP A 72 -1.378 -0.592 6.073 1.00 0.00 C ATOM 811 CZ2 TRP A 72 0.943 0.582 4.972 1.00 0.00 C ATOM 812 CZ3 TRP A 72 -1.455 0.314 5.040 1.00 0.00 C ATOM 813 CH2 TRP A 72 -0.302 0.892 4.487 1.00 0.00 C ATOM 0 H TRP A 72 -1.781 -3.839 10.283 1.00 0.00 H new ATOM 0 HA TRP A 72 0.525 -2.164 10.327 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -0.174 -3.685 8.464 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -1.546 -2.640 8.154 1.00 0.00 H new ATOM 0 HD1 TRP A 72 2.345 -2.237 8.318 1.00 0.00 H new ATOM 0 HE1 TRP A 72 3.087 -0.570 6.483 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -2.273 -1.036 6.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 1.832 1.031 4.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.423 0.586 4.647 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -0.396 1.590 3.669 1.00 0.00 H new ATOM 824 N ASP A 73 -2.389 -0.741 10.438 1.00 0.00 N ATOM 825 CA ASP A 73 -3.079 0.537 10.592 1.00 0.00 C ATOM 826 C ASP A 73 -2.322 1.461 11.535 1.00 0.00 C ATOM 827 O ASP A 73 -2.386 2.684 11.409 1.00 0.00 O ATOM 828 CB ASP A 73 -4.502 0.313 11.094 1.00 0.00 C ATOM 829 CG ASP A 73 -5.409 1.499 10.821 1.00 0.00 C ATOM 830 OD1 ASP A 73 -5.661 1.792 9.634 1.00 0.00 O ATOM 831 OD2 ASP A 73 -5.866 2.134 11.795 1.00 0.00 O ATOM 0 H ASP A 73 -2.972 -1.559 10.616 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.122 1.018 9.615 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.917 -0.575 10.616 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.479 0.117 12.166 1.00 0.00 H new ATOM 836 N SER A 74 -1.605 0.868 12.492 1.00 0.00 N ATOM 837 CA SER A 74 -0.833 1.639 13.453 1.00 0.00 C ATOM 838 C SER A 74 0.470 2.140 12.838 1.00 0.00 C ATOM 839 O SER A 74 1.054 3.119 13.305 1.00 0.00 O ATOM 840 CB SER A 74 -0.535 0.791 14.690 1.00 0.00 C ATOM 841 OG SER A 74 -0.223 1.607 15.806 1.00 0.00 O ATOM 0 H SER A 74 -1.547 -0.143 12.617 1.00 0.00 H new ATOM 0 HA SER A 74 -1.426 2.505 13.745 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.397 0.166 14.922 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.298 0.120 14.482 1.00 0.00 H new ATOM 0 HG SER A 74 -0.038 1.040 16.584 1.00 0.00 H new ATOM 847 N VAL A 75 0.920 1.464 11.787 1.00 0.00 N ATOM 848 CA VAL A 75 2.153 1.837 11.112 1.00 0.00 C ATOM 849 C VAL A 75 1.874 2.821 9.973 1.00 0.00 C ATOM 850 O VAL A 75 2.695 3.689 9.674 1.00 0.00 O ATOM 851 CB VAL A 75 2.872 0.602 10.531 1.00 0.00 C ATOM 852 CG1 VAL A 75 4.240 0.985 9.985 1.00 0.00 C ATOM 853 CG2 VAL A 75 2.996 -0.482 11.589 1.00 0.00 C ATOM 0 H VAL A 75 0.447 0.654 11.385 1.00 0.00 H new ATOM 0 HA VAL A 75 2.794 2.308 11.858 1.00 0.00 H new ATOM 0 HB VAL A 75 2.277 0.210 9.706 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.731 0.100 9.580 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.122 1.728 9.196 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.848 1.402 10.788 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.505 -1.348 11.165 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.569 -0.102 12.434 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.002 -0.775 11.927 1.00 0.00 H new ATOM 863 N ALA A 76 0.712 2.679 9.347 1.00 0.00 N ATOM 864 CA ALA A 76 0.323 3.555 8.256 1.00 0.00 C ATOM 865 C ALA A 76 -1.192 3.575 8.088 1.00 0.00 C ATOM 866 O ALA A 76 -1.880 2.620 8.442 1.00 0.00 O ATOM 867 CB ALA A 76 0.994 3.112 6.964 1.00 0.00 C ATOM 0 H ALA A 76 0.023 1.963 9.579 1.00 0.00 H new ATOM 0 HA ALA A 76 0.650 4.567 8.495 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.695 3.776 6.153 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.077 3.151 7.084 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.691 2.092 6.728 1.00 0.00 H new ATOM 873 N ARG A 77 -1.709 4.669 7.530 1.00 0.00 N ATOM 874 CA ARG A 77 -3.145 4.808 7.317 1.00 0.00 C ATOM 875 C ARG A 77 -3.442 5.324 5.913 1.00 0.00 C ATOM 876 O ARG A 77 -2.537 5.719 5.179 1.00 0.00 O ATOM 877 CB ARG A 77 -3.748 5.755 8.364 1.00 0.00 C ATOM 878 CG ARG A 77 -3.507 5.319 9.790 1.00 0.00 C ATOM 879 CD ARG A 77 -4.734 4.641 10.377 1.00 0.00 C ATOM 880 NE ARG A 77 -5.477 5.529 11.271 1.00 0.00 N ATOM 881 CZ ARG A 77 -6.554 6.226 10.916 1.00 0.00 C ATOM 882 NH1 ARG A 77 -7.025 6.150 9.669 1.00 0.00 N ATOM 883 NH2 ARG A 77 -7.164 7.005 11.791 1.00 0.00 N ATOM 0 H ARG A 77 -1.156 5.468 7.219 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.600 3.823 7.423 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.330 6.752 8.223 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.822 5.833 8.194 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.660 4.634 9.825 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.242 6.185 10.397 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.387 4.311 9.569 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.428 3.749 10.924 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.147 5.620 12.232 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.559 5.556 8.983 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.851 6.686 9.402 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.810 7.075 12.745 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.989 7.537 11.513 1.00 0.00 H new ATOM 897 N VAL A 78 -4.720 5.319 5.550 1.00 0.00 N ATOM 898 CA VAL A 78 -5.144 5.788 4.244 1.00 0.00 C ATOM 899 C VAL A 78 -5.872 7.124 4.343 1.00 0.00 C ATOM 900 O VAL A 78 -6.731 7.306 5.206 1.00 0.00 O ATOM 901 CB VAL A 78 -6.066 4.766 3.552 1.00 0.00 C ATOM 902 CG1 VAL A 78 -6.372 5.200 2.118 1.00 0.00 C ATOM 903 CG2 VAL A 78 -5.439 3.380 3.572 1.00 0.00 C ATOM 0 H VAL A 78 -5.480 4.993 6.147 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.240 5.915 3.649 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.005 4.724 4.103 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.024 4.465 1.647 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.868 6.171 2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.442 5.274 1.554 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.105 2.672 3.079 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.484 3.405 3.048 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.278 3.068 4.604 1.00 0.00 H new ATOM 913 N LEU A 79 -5.523 8.055 3.463 1.00 0.00 N ATOM 914 CA LEU A 79 -6.145 9.374 3.461 1.00 0.00 C ATOM 915 C LEU A 79 -7.507 9.332 2.774 1.00 0.00 C ATOM 916 O LEU A 79 -7.719 8.550 1.856 1.00 0.00 O ATOM 917 CB LEU A 79 -5.240 10.389 2.761 1.00 0.00 C ATOM 918 CG LEU A 79 -3.963 10.747 3.523 1.00 0.00 C ATOM 919 CD1 LEU A 79 -2.978 9.588 3.490 1.00 0.00 C ATOM 920 CD2 LEU A 79 -3.332 12.003 2.948 1.00 0.00 C ATOM 0 H LEU A 79 -4.814 7.921 2.742 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.289 9.681 4.497 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.964 9.994 1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.809 11.302 2.586 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.227 10.942 4.562 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.076 9.862 4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.432 8.712 3.953 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.720 9.359 2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.425 12.241 3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.083 11.838 1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.035 12.832 3.028 1.00 0.00 H new ATOM 932 N PRO A 80 -8.453 10.178 3.221 1.00 0.00 N ATOM 933 CA PRO A 80 -9.801 10.237 2.646 1.00 0.00 C ATOM 934 C PRO A 80 -9.783 10.344 1.125 1.00 0.00 C ATOM 935 O PRO A 80 -10.736 9.948 0.454 1.00 0.00 O ATOM 936 CB PRO A 80 -10.394 11.503 3.265 1.00 0.00 C ATOM 937 CG PRO A 80 -9.671 11.666 4.557 1.00 0.00 C ATOM 938 CD PRO A 80 -8.280 11.146 4.323 1.00 0.00 C ATOM 0 HA PRO A 80 -10.373 9.333 2.857 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -10.247 12.367 2.617 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -11.468 11.402 3.422 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.650 12.712 4.863 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -10.166 11.111 5.354 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.593 11.947 4.049 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.874 10.669 5.216 1.00 0.00 H new ATOM 946 N ASN A 81 -8.693 10.882 0.585 1.00 0.00 N ATOM 947 CA ASN A 81 -8.554 11.040 -0.842 1.00 0.00 C ATOM 948 C ASN A 81 -8.008 9.767 -1.500 1.00 0.00 C ATOM 949 O ASN A 81 -7.723 9.748 -2.689 1.00 0.00 O ATOM 950 CB ASN A 81 -7.632 12.219 -1.158 1.00 0.00 C ATOM 951 CG ASN A 81 -6.298 12.115 -0.445 1.00 0.00 C ATOM 952 OD1 ASN A 81 -5.956 11.069 0.090 1.00 0.00 O ATOM 953 ND2 ASN A 81 -5.536 13.202 -0.453 1.00 0.00 N ATOM 0 H ASN A 81 -7.894 11.215 1.126 1.00 0.00 H new ATOM 0 HA ASN A 81 -9.546 11.234 -1.249 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.463 12.267 -2.234 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -8.123 13.149 -0.871 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.622 13.188 0.000 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.864 14.052 -0.912 1.00 0.00 H new ATOM 960 N GLY A 82 -7.865 8.706 -0.708 1.00 0.00 N ATOM 961 CA GLY A 82 -7.354 7.455 -1.226 1.00 0.00 C ATOM 962 C GLY A 82 -5.842 7.444 -1.327 1.00 0.00 C ATOM 963 O GLY A 82 -5.281 6.905 -2.282 1.00 0.00 O ATOM 0 H GLY A 82 -8.096 8.695 0.285 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.678 6.639 -0.580 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.782 7.271 -2.211 1.00 0.00 H new ATOM 967 N SER A 83 -5.179 8.040 -0.342 1.00 0.00 N ATOM 968 CA SER A 83 -3.722 8.097 -0.327 1.00 0.00 C ATOM 969 C SER A 83 -3.154 7.247 0.796 1.00 0.00 C ATOM 970 O SER A 83 -3.896 6.618 1.541 1.00 0.00 O ATOM 971 CB SER A 83 -3.249 9.544 -0.180 1.00 0.00 C ATOM 972 OG SER A 83 -1.935 9.711 -0.684 1.00 0.00 O ATOM 0 H SER A 83 -5.627 8.490 0.456 1.00 0.00 H new ATOM 0 HA SER A 83 -3.359 7.698 -1.274 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.931 10.207 -0.711 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.277 9.833 0.871 1.00 0.00 H new ATOM 0 HG SER A 83 -1.662 8.900 -1.162 1.00 0.00 H new ATOM 978 N LEU A 84 -1.832 7.242 0.902 1.00 0.00 N ATOM 979 CA LEU A 84 -1.152 6.480 1.941 1.00 0.00 C ATOM 980 C LEU A 84 -0.086 7.339 2.611 1.00 0.00 C ATOM 981 O LEU A 84 0.705 7.992 1.944 1.00 0.00 O ATOM 982 CB LEU A 84 -0.515 5.221 1.351 1.00 0.00 C ATOM 983 CG LEU A 84 -0.540 3.992 2.267 1.00 0.00 C ATOM 984 CD1 LEU A 84 -1.492 2.935 1.732 1.00 0.00 C ATOM 985 CD2 LEU A 84 0.863 3.418 2.431 1.00 0.00 C ATOM 0 H LEU A 84 -1.209 7.757 0.281 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.887 6.182 2.688 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.028 4.973 0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.521 5.443 1.094 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.901 4.306 3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.492 2.073 2.400 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.499 3.348 1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.169 2.624 0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.825 2.546 3.084 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.252 3.124 1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.516 4.173 2.870 1.00 0.00 H new ATOM 997 N PHE A 85 -0.072 7.339 3.939 1.00 0.00 N ATOM 998 CA PHE A 85 0.897 8.128 4.700 1.00 0.00 C ATOM 999 C PHE A 85 1.616 7.265 5.732 1.00 0.00 C ATOM 1000 O PHE A 85 0.983 6.534 6.486 1.00 0.00 O ATOM 1001 CB PHE A 85 0.196 9.302 5.383 1.00 0.00 C ATOM 1002 CG PHE A 85 1.132 10.340 5.938 1.00 0.00 C ATOM 1003 CD1 PHE A 85 2.042 10.019 6.934 1.00 0.00 C ATOM 1004 CD2 PHE A 85 1.097 11.642 5.472 1.00 0.00 C ATOM 1005 CE1 PHE A 85 2.898 10.976 7.445 1.00 0.00 C ATOM 1006 CE2 PHE A 85 1.951 12.603 5.971 1.00 0.00 C ATOM 1007 CZ PHE A 85 2.853 12.270 6.962 1.00 0.00 C ATOM 0 H PHE A 85 -0.721 6.802 4.514 1.00 0.00 H new ATOM 0 HA PHE A 85 1.644 8.515 4.007 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.473 9.778 4.666 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -0.425 8.919 6.193 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.082 9.009 7.315 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.388 11.911 4.703 1.00 0.00 H new ATOM 0 HE1 PHE A 85 3.601 10.713 8.221 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.914 13.612 5.588 1.00 0.00 H new ATOM 0 HZ PHE A 85 3.522 13.019 7.359 1.00 0.00 H new ATOM 1017 N LEU A 86 2.942 7.360 5.745 1.00 0.00 N ATOM 1018 CA LEU A 86 3.750 6.593 6.685 1.00 0.00 C ATOM 1019 C LEU A 86 4.592 7.524 7.557 1.00 0.00 C ATOM 1020 O LEU A 86 5.378 8.320 7.041 1.00 0.00 O ATOM 1021 CB LEU A 86 4.657 5.617 5.940 1.00 0.00 C ATOM 1022 CG LEU A 86 4.185 4.162 5.931 1.00 0.00 C ATOM 1023 CD1 LEU A 86 3.384 3.861 4.674 1.00 0.00 C ATOM 1024 CD2 LEU A 86 5.370 3.215 6.056 1.00 0.00 C ATOM 0 H LEU A 86 3.478 7.959 5.117 1.00 0.00 H new ATOM 0 HA LEU A 86 3.075 6.027 7.327 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.758 5.955 4.909 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.650 5.657 6.387 1.00 0.00 H new ATOM 0 HG LEU A 86 3.533 4.009 6.791 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.059 2.821 4.690 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.511 4.513 4.634 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.006 4.033 3.796 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.015 2.185 6.048 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.050 3.371 5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.895 3.410 6.991 1.00 0.00 H new ATOM 1036 N PRO A 87 4.443 7.442 8.893 1.00 0.00 N ATOM 1037 CA PRO A 87 5.200 8.289 9.822 1.00 0.00 C ATOM 1038 C PRO A 87 6.705 8.147 9.634 1.00 0.00 C ATOM 1039 O PRO A 87 7.426 9.141 9.547 1.00 0.00 O ATOM 1040 CB PRO A 87 4.784 7.774 11.212 1.00 0.00 C ATOM 1041 CG PRO A 87 3.470 7.109 10.985 1.00 0.00 C ATOM 1042 CD PRO A 87 3.531 6.526 9.602 1.00 0.00 C ATOM 0 HA PRO A 87 4.987 9.347 9.668 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.519 7.075 11.613 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.697 8.591 11.928 1.00 0.00 H new ATOM 0 HG2 PRO A 87 3.293 6.331 11.728 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.652 7.824 11.071 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.912 5.505 9.611 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.547 6.495 9.134 1.00 0.00 H new ATOM 1050 N ALA A 88 7.174 6.906 9.580 1.00 0.00 N ATOM 1051 CA ALA A 88 8.594 6.633 9.394 1.00 0.00 C ATOM 1052 C ALA A 88 8.814 5.280 8.726 1.00 0.00 C ATOM 1053 O ALA A 88 8.671 4.233 9.358 1.00 0.00 O ATOM 1054 CB ALA A 88 9.312 6.685 10.735 1.00 0.00 C ATOM 0 H ALA A 88 6.592 6.073 9.662 1.00 0.00 H new ATOM 0 HA ALA A 88 9.006 7.399 8.737 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.372 6.480 10.588 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.191 7.675 11.174 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.887 5.937 11.404 1.00 0.00 H new ATOM 1060 N VAL A 89 9.164 5.308 7.452 1.00 0.00 N ATOM 1061 CA VAL A 89 9.406 4.084 6.691 1.00 0.00 C ATOM 1062 C VAL A 89 10.767 3.490 7.038 1.00 0.00 C ATOM 1063 O VAL A 89 11.802 4.122 6.836 1.00 0.00 O ATOM 1064 CB VAL A 89 9.339 4.335 5.180 1.00 0.00 C ATOM 1065 CG1 VAL A 89 9.437 3.024 4.406 1.00 0.00 C ATOM 1066 CG2 VAL A 89 8.060 5.077 4.816 1.00 0.00 C ATOM 0 H VAL A 89 9.289 6.167 6.916 1.00 0.00 H new ATOM 0 HA VAL A 89 8.620 3.380 6.964 1.00 0.00 H new ATOM 0 HB VAL A 89 10.189 4.958 4.902 1.00 0.00 H new ATOM 0 HG11 VAL A 89 9.387 3.228 3.336 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.383 2.534 4.638 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.611 2.371 4.690 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.031 5.246 3.740 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.197 4.482 5.113 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.035 6.036 5.334 1.00 0.00 H new ATOM 1076 N GLY A 90 10.759 2.273 7.573 1.00 0.00 N ATOM 1077 CA GLY A 90 12.001 1.618 7.952 1.00 0.00 C ATOM 1078 C GLY A 90 12.230 0.328 7.188 1.00 0.00 C ATOM 1079 O GLY A 90 11.547 0.053 6.193 1.00 0.00 O ATOM 0 H GLY A 90 9.916 1.728 7.751 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.836 2.296 7.773 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.986 1.406 9.021 1.00 0.00 H new ATOM 1083 N ILE A 91 13.195 -0.464 7.637 1.00 0.00 N ATOM 1084 CA ILE A 91 13.516 -1.732 7.000 1.00 0.00 C ATOM 1085 C ILE A 91 12.297 -2.647 6.935 1.00 0.00 C ATOM 1086 O ILE A 91 12.093 -3.363 5.955 1.00 0.00 O ATOM 1087 CB ILE A 91 14.660 -2.463 7.722 1.00 0.00 C ATOM 1088 CG1 ILE A 91 14.390 -2.513 9.229 1.00 0.00 C ATOM 1089 CG2 ILE A 91 15.989 -1.780 7.437 1.00 0.00 C ATOM 1090 CD1 ILE A 91 14.090 -3.905 9.742 1.00 0.00 C ATOM 0 H ILE A 91 13.774 -0.246 8.448 1.00 0.00 H new ATOM 0 HA ILE A 91 13.839 -1.493 5.987 1.00 0.00 H new ATOM 0 HB ILE A 91 14.713 -3.485 7.347 1.00 0.00 H new ATOM 0 HG12 ILE A 91 15.257 -2.118 9.759 1.00 0.00 H new ATOM 0 HG13 ILE A 91 13.549 -1.859 9.461 1.00 0.00 H new ATOM 0 HG21 ILE A 91 16.789 -2.309 7.955 1.00 0.00 H new ATOM 0 HG22 ILE A 91 16.182 -1.792 6.364 1.00 0.00 H new ATOM 0 HG23 ILE A 91 15.950 -0.748 7.787 1.00 0.00 H new ATOM 0 HD11 ILE A 91 13.909 -3.866 10.816 1.00 0.00 H new ATOM 0 HD12 ILE A 91 13.205 -4.295 9.239 1.00 0.00 H new ATOM 0 HD13 ILE A 91 14.939 -4.558 9.541 1.00 0.00 H new ATOM 1102 N GLN A 92 11.490 -2.616 7.989 1.00 0.00 N ATOM 1103 CA GLN A 92 10.289 -3.440 8.057 1.00 0.00 C ATOM 1104 C GLN A 92 9.263 -2.993 7.021 1.00 0.00 C ATOM 1105 O GLN A 92 8.426 -3.783 6.581 1.00 0.00 O ATOM 1106 CB GLN A 92 9.679 -3.374 9.458 1.00 0.00 C ATOM 1107 CG GLN A 92 10.620 -3.844 10.555 1.00 0.00 C ATOM 1108 CD GLN A 92 10.325 -3.196 11.893 1.00 0.00 C ATOM 1109 OE1 GLN A 92 9.491 -3.679 12.668 1.00 0.00 O ATOM 1110 NE2 GLN A 92 11.009 -2.095 12.181 1.00 0.00 N ATOM 0 H GLN A 92 11.646 -2.029 8.809 1.00 0.00 H new ATOM 0 HA GLN A 92 10.572 -4.470 7.840 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.377 -2.347 9.665 1.00 0.00 H new ATOM 0 HB3 GLN A 92 8.775 -3.983 9.481 1.00 0.00 H new ATOM 0 HG2 GLN A 92 10.543 -4.927 10.655 1.00 0.00 H new ATOM 0 HG3 GLN A 92 11.648 -3.622 10.267 1.00 0.00 H new ATOM 0 HE21 GLN A 92 11.689 -1.728 11.515 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.855 -1.616 13.068 1.00 0.00 H new ATOM 1119 N ASP A 93 9.330 -1.722 6.637 1.00 0.00 N ATOM 1120 CA ASP A 93 8.405 -1.170 5.653 1.00 0.00 C ATOM 1121 C ASP A 93 8.804 -1.568 4.235 1.00 0.00 C ATOM 1122 O ASP A 93 7.976 -1.564 3.325 1.00 0.00 O ATOM 1123 CB ASP A 93 8.353 0.354 5.771 1.00 0.00 C ATOM 1124 CG ASP A 93 7.629 0.814 7.021 1.00 0.00 C ATOM 1125 OD1 ASP A 93 6.398 0.615 7.101 1.00 0.00 O ATOM 1126 OD2 ASP A 93 8.292 1.373 7.919 1.00 0.00 O ATOM 0 H ASP A 93 10.015 -1.055 6.992 1.00 0.00 H new ATOM 0 HA ASP A 93 7.416 -1.580 5.857 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.369 0.750 5.777 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.855 0.767 4.894 1.00 0.00 H new ATOM 1131 N GLU A 94 10.078 -1.909 4.049 1.00 0.00 N ATOM 1132 CA GLU A 94 10.582 -2.307 2.744 1.00 0.00 C ATOM 1133 C GLU A 94 9.674 -3.349 2.086 1.00 0.00 C ATOM 1134 O GLU A 94 8.734 -3.843 2.707 1.00 0.00 O ATOM 1135 CB GLU A 94 12.001 -2.862 2.864 1.00 0.00 C ATOM 1136 CG GLU A 94 13.006 -1.854 3.386 1.00 0.00 C ATOM 1137 CD GLU A 94 14.406 -2.430 3.490 1.00 0.00 C ATOM 1138 OE1 GLU A 94 14.736 -2.997 4.560 1.00 0.00 O ATOM 1139 OE2 GLU A 94 15.170 -2.313 2.510 1.00 0.00 O ATOM 0 H GLU A 94 10.779 -1.916 4.790 1.00 0.00 H new ATOM 0 HA GLU A 94 10.595 -1.418 2.114 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.989 -3.727 3.527 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.328 -3.215 1.886 1.00 0.00 H new ATOM 0 HG2 GLU A 94 13.022 -0.986 2.726 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.687 -1.503 4.367 1.00 0.00 H new ATOM 1146 N GLY A 95 9.967 -3.676 0.840 1.00 0.00 N ATOM 1147 CA GLY A 95 9.171 -4.657 0.124 1.00 0.00 C ATOM 1148 C GLY A 95 8.458 -4.061 -1.066 1.00 0.00 C ATOM 1149 O GLY A 95 8.850 -3.007 -1.569 1.00 0.00 O ATOM 0 H GLY A 95 10.742 -3.281 0.307 1.00 0.00 H new ATOM 0 HA2 GLY A 95 9.816 -5.469 -0.211 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.438 -5.092 0.803 1.00 0.00 H new ATOM 1153 N ILE A 96 7.409 -4.735 -1.525 1.00 0.00 N ATOM 1154 CA ILE A 96 6.641 -4.265 -2.670 1.00 0.00 C ATOM 1155 C ILE A 96 5.158 -4.156 -2.329 1.00 0.00 C ATOM 1156 O ILE A 96 4.555 -5.104 -1.836 1.00 0.00 O ATOM 1157 CB ILE A 96 6.810 -5.202 -3.892 1.00 0.00 C ATOM 1158 CG1 ILE A 96 8.294 -5.477 -4.143 1.00 0.00 C ATOM 1159 CG2 ILE A 96 6.155 -4.597 -5.124 1.00 0.00 C ATOM 1160 CD1 ILE A 96 8.611 -6.943 -4.342 1.00 0.00 C ATOM 0 H ILE A 96 7.072 -5.609 -1.121 1.00 0.00 H new ATOM 0 HA ILE A 96 7.028 -3.278 -2.924 1.00 0.00 H new ATOM 0 HB ILE A 96 6.315 -6.149 -3.679 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.614 -4.921 -5.024 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.873 -5.099 -3.300 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.284 -5.269 -5.972 1.00 0.00 H new ATOM 0 HG22 ILE A 96 5.091 -4.450 -4.936 1.00 0.00 H new ATOM 0 HG23 ILE A 96 6.619 -3.637 -5.348 1.00 0.00 H new ATOM 0 HD11 ILE A 96 9.680 -7.064 -4.515 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.322 -7.502 -3.452 1.00 0.00 H new ATOM 0 HD13 ILE A 96 8.059 -7.321 -5.203 1.00 0.00 H new ATOM 1172 N PHE A 97 4.577 -2.993 -2.612 1.00 0.00 N ATOM 1173 CA PHE A 97 3.164 -2.759 -2.326 1.00 0.00 C ATOM 1174 C PHE A 97 2.337 -2.846 -3.612 1.00 0.00 C ATOM 1175 O PHE A 97 2.852 -2.637 -4.703 1.00 0.00 O ATOM 1176 CB PHE A 97 2.970 -1.387 -1.675 1.00 0.00 C ATOM 1177 CG PHE A 97 3.926 -1.110 -0.550 1.00 0.00 C ATOM 1178 CD1 PHE A 97 5.255 -0.810 -0.809 1.00 0.00 C ATOM 1179 CD2 PHE A 97 3.497 -1.143 0.760 1.00 0.00 C ATOM 1180 CE1 PHE A 97 6.135 -0.551 0.207 1.00 0.00 C ATOM 1181 CE2 PHE A 97 4.373 -0.884 1.796 1.00 0.00 C ATOM 1182 CZ PHE A 97 5.694 -0.589 1.515 1.00 0.00 C ATOM 0 H PHE A 97 5.060 -2.201 -3.037 1.00 0.00 H new ATOM 0 HA PHE A 97 2.823 -3.529 -1.634 1.00 0.00 H new ATOM 0 HB2 PHE A 97 3.085 -0.615 -2.436 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.950 -1.315 -1.299 1.00 0.00 H new ATOM 0 HD1 PHE A 97 5.602 -0.780 -1.831 1.00 0.00 H new ATOM 0 HD2 PHE A 97 2.465 -1.374 0.978 1.00 0.00 H new ATOM 0 HE1 PHE A 97 7.167 -0.319 -0.013 1.00 0.00 H new ATOM 0 HE2 PHE A 97 4.028 -0.912 2.819 1.00 0.00 H new ATOM 0 HZ PHE A 97 6.384 -0.388 2.321 1.00 0.00 H new ATOM 1192 N ARG A 98 1.052 -3.153 -3.455 1.00 0.00 N ATOM 1193 CA ARG A 98 0.156 -3.263 -4.601 1.00 0.00 C ATOM 1194 C ARG A 98 -1.271 -2.885 -4.219 1.00 0.00 C ATOM 1195 O ARG A 98 -1.748 -3.225 -3.134 1.00 0.00 O ATOM 1196 CB ARG A 98 0.187 -4.684 -5.167 1.00 0.00 C ATOM 1197 CG ARG A 98 -0.663 -4.860 -6.415 1.00 0.00 C ATOM 1198 CD ARG A 98 -0.347 -6.164 -7.131 1.00 0.00 C ATOM 1199 NE ARG A 98 -1.493 -7.070 -7.149 1.00 0.00 N ATOM 1200 CZ ARG A 98 -1.621 -8.087 -7.999 1.00 0.00 C ATOM 1201 NH1 ARG A 98 -0.676 -8.333 -8.898 1.00 0.00 N ATOM 1202 NH2 ARG A 98 -2.697 -8.862 -7.956 1.00 0.00 N ATOM 0 H ARG A 98 0.611 -3.329 -2.552 1.00 0.00 H new ATOM 0 HA ARG A 98 0.502 -2.568 -5.366 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.218 -4.951 -5.399 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -0.158 -5.379 -4.401 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -1.718 -4.841 -6.142 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -0.493 -4.023 -7.092 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -0.038 -5.950 -8.154 1.00 0.00 H new ATOM 0 HD3 ARG A 98 0.494 -6.653 -6.639 1.00 0.00 H new ATOM 0 HE ARG A 98 -2.239 -6.914 -6.471 1.00 0.00 H new ATOM 0 HH11 ARG A 98 0.154 -7.742 -8.940 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -0.780 -9.114 -9.546 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -3.430 -8.680 -7.270 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -2.792 -9.640 -8.609 1.00 0.00 H new ATOM 1216 N CYS A 99 -1.949 -2.181 -5.121 1.00 0.00 N ATOM 1217 CA CYS A 99 -3.323 -1.754 -4.887 1.00 0.00 C ATOM 1218 C CYS A 99 -4.303 -2.632 -5.659 1.00 0.00 C ATOM 1219 O CYS A 99 -3.952 -3.214 -6.685 1.00 0.00 O ATOM 1220 CB CYS A 99 -3.502 -0.291 -5.308 1.00 0.00 C ATOM 1221 SG CYS A 99 -3.153 0.908 -3.980 1.00 0.00 S ATOM 0 H CYS A 99 -1.567 -1.894 -6.022 1.00 0.00 H new ATOM 0 HA CYS A 99 -3.531 -1.851 -3.821 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -2.846 -0.083 -6.153 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -4.525 -0.146 -5.656 1.00 0.00 H new ATOM 1226 N GLN A 100 -5.531 -2.724 -5.159 1.00 0.00 N ATOM 1227 CA GLN A 100 -6.558 -3.534 -5.812 1.00 0.00 C ATOM 1228 C GLN A 100 -7.950 -3.122 -5.337 1.00 0.00 C ATOM 1229 O GLN A 100 -8.148 -2.772 -4.173 1.00 0.00 O ATOM 1230 CB GLN A 100 -6.327 -5.017 -5.510 1.00 0.00 C ATOM 1231 CG GLN A 100 -6.807 -5.938 -6.621 1.00 0.00 C ATOM 1232 CD GLN A 100 -5.712 -6.854 -7.134 1.00 0.00 C ATOM 1233 OE1 GLN A 100 -5.516 -7.956 -6.628 1.00 0.00 O ATOM 1234 NE2 GLN A 100 -4.990 -6.401 -8.153 1.00 0.00 N ATOM 0 H GLN A 100 -5.840 -2.252 -4.309 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.493 -3.371 -6.888 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.263 -5.185 -5.342 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -6.841 -5.277 -4.584 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -7.638 -6.541 -6.254 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.189 -5.337 -7.446 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -5.184 -5.480 -8.546 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.242 -6.974 -8.543 1.00 0.00 H new ATOM 1243 N ALA A 101 -8.911 -3.169 -6.260 1.00 0.00 N ATOM 1244 CA ALA A 101 -10.287 -2.803 -5.938 1.00 0.00 C ATOM 1245 C ALA A 101 -11.267 -3.811 -6.527 1.00 0.00 C ATOM 1246 O ALA A 101 -10.930 -4.551 -7.450 1.00 0.00 O ATOM 1247 CB ALA A 101 -10.592 -1.404 -6.460 1.00 0.00 C ATOM 0 H ALA A 101 -8.763 -3.455 -7.228 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.401 -2.810 -4.854 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.621 -1.140 -6.215 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.914 -0.687 -5.997 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.460 -1.382 -7.542 1.00 0.00 H new ATOM 1253 N MET A 102 -12.481 -3.837 -5.996 1.00 0.00 N ATOM 1254 CA MET A 102 -13.507 -4.758 -6.472 1.00 0.00 C ATOM 1255 C MET A 102 -14.750 -4.000 -6.921 1.00 0.00 C ATOM 1256 O MET A 102 -15.450 -3.392 -6.120 1.00 0.00 O ATOM 1257 CB MET A 102 -13.879 -5.754 -5.365 1.00 0.00 C ATOM 1258 CG MET A 102 -14.620 -6.978 -5.878 1.00 0.00 C ATOM 1259 SD MET A 102 -13.600 -8.465 -5.871 1.00 0.00 S ATOM 1260 CE MET A 102 -13.037 -8.498 -7.571 1.00 0.00 C ATOM 0 H MET A 102 -12.782 -3.230 -5.233 1.00 0.00 H new ATOM 0 HA MET A 102 -13.104 -5.303 -7.326 1.00 0.00 H new ATOM 0 HB2 MET A 102 -12.971 -6.075 -4.856 1.00 0.00 H new ATOM 0 HB3 MET A 102 -14.498 -5.248 -4.624 1.00 0.00 H new ATOM 0 HG2 MET A 102 -15.504 -7.146 -5.263 1.00 0.00 H new ATOM 0 HG3 MET A 102 -14.969 -6.787 -6.893 1.00 0.00 H new ATOM 0 HE1 MET A 102 -11.981 -8.766 -7.599 1.00 0.00 H new ATOM 0 HE2 MET A 102 -13.614 -9.234 -8.131 1.00 0.00 H new ATOM 0 HE3 MET A 102 -13.173 -7.513 -8.019 1.00 0.00 H new ATOM 1270 N ASN A 103 -15.018 -4.044 -8.221 1.00 0.00 N ATOM 1271 CA ASN A 103 -16.178 -3.364 -8.786 1.00 0.00 C ATOM 1272 C ASN A 103 -17.316 -4.350 -9.034 1.00 0.00 C ATOM 1273 O ASN A 103 -17.163 -5.554 -8.827 1.00 0.00 O ATOM 1274 CB ASN A 103 -15.797 -2.663 -10.091 1.00 0.00 C ATOM 1275 CG ASN A 103 -16.635 -1.425 -10.345 1.00 0.00 C ATOM 1276 OD1 ASN A 103 -16.577 -0.471 -9.432 1.00 0.00 O flip ATOM 1277 ND2 ASN A 103 -17.325 -1.327 -11.368 1.00 0.00 N flip ATOM 0 H ASN A 103 -14.448 -4.543 -8.904 1.00 0.00 H new ATOM 0 HA ASN A 103 -16.519 -2.617 -8.069 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -14.743 -2.385 -10.058 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -15.917 -3.357 -10.922 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -17.341 -2.088 -12.047 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -17.878 -0.485 -11.532 1.00 0.00 H new ATOM 1284 N ARG A 104 -18.456 -3.832 -9.479 1.00 0.00 N ATOM 1285 CA ARG A 104 -19.619 -4.668 -9.755 1.00 0.00 C ATOM 1286 C ARG A 104 -19.297 -5.725 -10.807 1.00 0.00 C ATOM 1287 O ARG A 104 -19.878 -6.810 -10.816 1.00 0.00 O ATOM 1288 CB ARG A 104 -20.792 -3.806 -10.236 1.00 0.00 C ATOM 1289 CG ARG A 104 -21.679 -3.312 -9.097 1.00 0.00 C ATOM 1290 CD ARG A 104 -22.618 -2.213 -9.572 1.00 0.00 C ATOM 1291 NE ARG A 104 -22.075 -0.881 -9.305 1.00 0.00 N ATOM 1292 CZ ARG A 104 -22.494 0.223 -9.917 1.00 0.00 C ATOM 1293 NH1 ARG A 104 -23.461 0.161 -10.825 1.00 0.00 N ATOM 1294 NH2 ARG A 104 -21.945 1.394 -9.622 1.00 0.00 N ATOM 0 H ARG A 104 -18.599 -2.838 -9.656 1.00 0.00 H new ATOM 0 HA ARG A 104 -19.896 -5.172 -8.829 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -20.403 -2.948 -10.784 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -21.397 -4.384 -10.935 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -22.260 -4.143 -8.697 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -21.057 -2.937 -8.284 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -22.797 -2.325 -10.641 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -23.582 -2.319 -9.075 1.00 0.00 H new ATOM 0 HE ARG A 104 -21.333 -0.794 -8.610 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -23.887 -0.737 -11.056 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -23.778 1.011 -11.291 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -21.201 1.448 -8.926 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -22.266 2.241 -10.091 1.00 0.00 H new ATOM 1308 N ASN A 105 -18.368 -5.402 -11.701 1.00 0.00 N ATOM 1309 CA ASN A 105 -17.973 -6.327 -12.759 1.00 0.00 C ATOM 1310 C ASN A 105 -16.627 -6.978 -12.453 1.00 0.00 C ATOM 1311 O ASN A 105 -15.962 -7.496 -13.350 1.00 0.00 O ATOM 1312 CB ASN A 105 -17.900 -5.602 -14.112 1.00 0.00 C ATOM 1313 CG ASN A 105 -17.174 -4.274 -14.016 1.00 0.00 C ATOM 1314 OD1 ASN A 105 -17.477 -3.446 -13.150 1.00 0.00 O ATOM 1315 ND2 ASN A 105 -16.205 -4.066 -14.893 1.00 0.00 N ATOM 0 H ASN A 105 -17.875 -4.509 -11.715 1.00 0.00 H new ATOM 0 HA ASN A 105 -18.731 -7.108 -12.811 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -17.392 -6.239 -14.836 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -18.910 -5.435 -14.487 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -15.675 -3.195 -14.871 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -15.988 -4.777 -15.591 1.00 0.00 H new ATOM 1322 N GLY A 106 -16.228 -6.953 -11.192 1.00 0.00 N ATOM 1323 CA GLY A 106 -14.965 -7.549 -10.804 1.00 0.00 C ATOM 1324 C GLY A 106 -13.774 -6.849 -11.421 1.00 0.00 C ATOM 1325 O GLY A 106 -12.928 -7.489 -12.045 1.00 0.00 O ATOM 0 H GLY A 106 -16.756 -6.531 -10.428 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -14.874 -7.523 -9.718 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -14.957 -8.598 -11.099 1.00 0.00 H new ATOM 1329 N LYS A 107 -13.708 -5.533 -11.260 1.00 0.00 N ATOM 1330 CA LYS A 107 -12.609 -4.747 -11.806 1.00 0.00 C ATOM 1331 C LYS A 107 -11.541 -4.488 -10.756 1.00 0.00 C ATOM 1332 O LYS A 107 -11.826 -3.944 -9.682 1.00 0.00 O ATOM 1333 CB LYS A 107 -13.132 -3.419 -12.359 1.00 0.00 C ATOM 1334 CG LYS A 107 -12.036 -2.504 -12.892 1.00 0.00 C ATOM 1335 CD LYS A 107 -12.614 -1.346 -13.692 1.00 0.00 C ATOM 1336 CE LYS A 107 -11.539 -0.340 -14.068 1.00 0.00 C ATOM 1337 NZ LYS A 107 -11.843 0.341 -15.350 1.00 0.00 N ATOM 0 H LYS A 107 -14.405 -4.986 -10.754 1.00 0.00 H new ATOM 0 HA LYS A 107 -12.157 -5.320 -12.615 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -13.843 -3.624 -13.159 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -13.678 -2.898 -11.573 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -11.449 -2.115 -12.060 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -11.356 -3.078 -13.521 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -13.089 -1.728 -14.596 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -13.390 -0.850 -13.109 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -11.444 0.403 -13.276 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -10.578 -0.848 -14.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -11.086 1.019 -15.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -11.909 -0.365 -16.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -12.748 0.847 -15.268 1.00 0.00 H new ATOM 1351 N GLU A 108 -10.308 -4.881 -11.053 1.00 0.00 N ATOM 1352 CA GLU A 108 -9.192 -4.691 -10.140 1.00 0.00 C ATOM 1353 C GLU A 108 -8.165 -3.729 -10.717 1.00 0.00 C ATOM 1354 O GLU A 108 -7.987 -3.659 -11.933 1.00 0.00 O ATOM 1355 CB GLU A 108 -8.531 -6.033 -9.815 1.00 0.00 C ATOM 1356 CG GLU A 108 -8.270 -6.888 -11.052 1.00 0.00 C ATOM 1357 CD GLU A 108 -7.711 -8.254 -10.704 1.00 0.00 C ATOM 1358 OE1 GLU A 108 -6.664 -8.311 -10.019 1.00 0.00 O ATOM 1359 OE2 GLU A 108 -8.320 -9.266 -11.102 1.00 0.00 O ATOM 0 H GLU A 108 -10.056 -5.338 -11.930 1.00 0.00 H new ATOM 0 HA GLU A 108 -9.585 -4.257 -9.220 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -7.587 -5.851 -9.301 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -9.168 -6.587 -9.126 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.199 -7.010 -11.609 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -7.571 -6.369 -11.708 1.00 0.00 H new ATOM 1366 N THR A 109 -7.490 -2.988 -9.852 1.00 0.00 N ATOM 1367 CA THR A 109 -6.480 -2.030 -10.277 1.00 0.00 C ATOM 1368 C THR A 109 -5.082 -2.630 -10.179 1.00 0.00 C ATOM 1369 O THR A 109 -4.641 -3.030 -9.101 1.00 0.00 O ATOM 1370 CB THR A 109 -6.564 -0.756 -9.444 1.00 0.00 C ATOM 1371 OG1 THR A 109 -5.483 0.111 -9.730 1.00 0.00 O ATOM 1372 CG2 THR A 109 -6.550 -1.020 -7.946 1.00 0.00 C ATOM 0 H THR A 109 -7.625 -3.033 -8.842 1.00 0.00 H new ATOM 0 HA THR A 109 -6.674 -1.780 -11.320 1.00 0.00 H new ATOM 0 HB THR A 109 -7.516 -0.300 -9.716 1.00 0.00 H new ATOM 0 HG1 THR A 109 -5.469 0.842 -9.078 1.00 0.00 H new ATOM 0 HG21 THR A 109 -6.612 -0.073 -7.409 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.402 -1.645 -7.679 1.00 0.00 H new ATOM 0 HG23 THR A 109 -5.626 -1.531 -7.675 1.00 0.00 H new ATOM 1380 N LYS A 110 -4.388 -2.691 -11.320 1.00 0.00 N ATOM 1381 CA LYS A 110 -3.039 -3.244 -11.353 1.00 0.00 C ATOM 1382 C LYS A 110 -1.997 -2.152 -11.130 1.00 0.00 C ATOM 1383 O LYS A 110 -1.915 -1.192 -11.897 1.00 0.00 O ATOM 1384 CB LYS A 110 -2.793 -3.939 -12.695 1.00 0.00 C ATOM 1385 CG LYS A 110 -2.703 -5.452 -12.587 1.00 0.00 C ATOM 1386 CD LYS A 110 -4.081 -6.090 -12.486 1.00 0.00 C ATOM 1387 CE LYS A 110 -4.228 -7.257 -13.451 1.00 0.00 C ATOM 1388 NZ LYS A 110 -3.795 -8.542 -12.838 1.00 0.00 N ATOM 0 H LYS A 110 -4.737 -2.367 -12.222 1.00 0.00 H new ATOM 0 HA LYS A 110 -2.946 -3.973 -10.548 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -3.598 -3.679 -13.383 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -1.868 -3.558 -13.128 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -2.181 -5.849 -13.457 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -2.112 -5.720 -11.711 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.249 -6.437 -11.466 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -4.845 -5.343 -12.698 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -5.268 -7.338 -13.767 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -3.637 -7.064 -14.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -3.911 -9.312 -13.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.795 -8.474 -12.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -4.376 -8.739 -11.998 1.00 0.00 H new ATOM 1402 N SER A 111 -1.203 -2.306 -10.084 1.00 0.00 N ATOM 1403 CA SER A 111 -0.166 -1.333 -9.760 1.00 0.00 C ATOM 1404 C SER A 111 0.739 -1.853 -8.648 1.00 0.00 C ATOM 1405 O SER A 111 0.318 -1.974 -7.490 1.00 0.00 O ATOM 1406 CB SER A 111 -0.798 -0.005 -9.333 1.00 0.00 C ATOM 1407 OG SER A 111 -0.884 0.888 -10.430 1.00 0.00 O ATOM 0 H SER A 111 -1.255 -3.096 -9.441 1.00 0.00 H new ATOM 0 HA SER A 111 0.437 -1.173 -10.654 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.793 -0.185 -8.926 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.205 0.446 -8.537 1.00 0.00 H new ATOM 0 HG SER A 111 -1.267 0.422 -11.202 1.00 0.00 H new ATOM 1413 N ASN A 112 1.983 -2.161 -8.991 1.00 0.00 N ATOM 1414 CA ASN A 112 2.949 -2.669 -8.022 1.00 0.00 C ATOM 1415 C ASN A 112 4.089 -1.676 -7.828 1.00 0.00 C ATOM 1416 O ASN A 112 4.721 -1.237 -8.781 1.00 0.00 O ATOM 1417 CB ASN A 112 3.503 -4.019 -8.483 1.00 0.00 C ATOM 1418 CG ASN A 112 3.102 -5.155 -7.563 1.00 0.00 C ATOM 1419 OD1 ASN A 112 3.398 -5.008 -6.284 1.00 0.00 O flip ATOM 1420 ND2 ASN A 112 2.530 -6.153 -8.002 1.00 0.00 N flip ATOM 0 H ASN A 112 2.350 -2.068 -9.938 1.00 0.00 H new ATOM 0 HA ASN A 112 2.439 -2.803 -7.068 1.00 0.00 H new ATOM 0 HB2 ASN A 112 3.147 -4.229 -9.491 1.00 0.00 H new ATOM 0 HB3 ASN A 112 4.590 -3.964 -8.534 1.00 0.00 H new ATOM 0 HD21 ASN A 112 2.321 -6.224 -8.998 1.00 0.00 H new ATOM 0 HD22 ASN A 112 2.265 -6.908 -7.370 1.00 0.00 H new ATOM 1427 N TYR A 113 4.347 -1.325 -6.572 1.00 0.00 N ATOM 1428 CA TYR A 113 5.413 -0.383 -6.244 1.00 0.00 C ATOM 1429 C TYR A 113 6.439 -1.022 -5.306 1.00 0.00 C ATOM 1430 O TYR A 113 6.084 -1.611 -4.285 1.00 0.00 O ATOM 1431 CB TYR A 113 4.834 0.875 -5.582 1.00 0.00 C ATOM 1432 CG TYR A 113 3.512 1.322 -6.171 1.00 0.00 C ATOM 1433 CD1 TYR A 113 3.264 1.214 -7.533 1.00 0.00 C ATOM 1434 CD2 TYR A 113 2.515 1.853 -5.362 1.00 0.00 C ATOM 1435 CE1 TYR A 113 2.059 1.622 -8.073 1.00 0.00 C ATOM 1436 CE2 TYR A 113 1.308 2.263 -5.894 1.00 0.00 C ATOM 1437 CZ TYR A 113 1.085 2.146 -7.249 1.00 0.00 C ATOM 1438 OH TYR A 113 -0.117 2.553 -7.783 1.00 0.00 O ATOM 0 H TYR A 113 3.833 -1.678 -5.765 1.00 0.00 H new ATOM 0 HA TYR A 113 5.909 -0.107 -7.175 1.00 0.00 H new ATOM 0 HB2 TYR A 113 4.701 0.685 -4.517 1.00 0.00 H new ATOM 0 HB3 TYR A 113 5.555 1.687 -5.674 1.00 0.00 H new ATOM 0 HD1 TYR A 113 4.025 0.805 -8.181 1.00 0.00 H new ATOM 0 HD2 TYR A 113 2.687 1.947 -4.300 1.00 0.00 H new ATOM 0 HE1 TYR A 113 1.881 1.531 -9.134 1.00 0.00 H new ATOM 0 HE2 TYR A 113 0.543 2.673 -5.251 1.00 0.00 H new ATOM 0 HH TYR A 113 -0.795 2.584 -7.076 1.00 0.00 H new ATOM 1448 N ARG A 114 7.713 -0.898 -5.663 1.00 0.00 N ATOM 1449 CA ARG A 114 8.793 -1.460 -4.858 1.00 0.00 C ATOM 1450 C ARG A 114 9.502 -0.365 -4.069 1.00 0.00 C ATOM 1451 O ARG A 114 9.909 0.653 -4.630 1.00 0.00 O ATOM 1452 CB ARG A 114 9.795 -2.196 -5.750 1.00 0.00 C ATOM 1453 CG ARG A 114 10.593 -3.261 -5.024 1.00 0.00 C ATOM 1454 CD ARG A 114 11.886 -2.697 -4.451 1.00 0.00 C ATOM 1455 NE ARG A 114 12.812 -3.752 -4.043 1.00 0.00 N ATOM 1456 CZ ARG A 114 12.709 -4.426 -2.899 1.00 0.00 C ATOM 1457 NH1 ARG A 114 11.726 -4.160 -2.049 1.00 0.00 N ATOM 1458 NH2 ARG A 114 13.594 -5.370 -2.605 1.00 0.00 N ATOM 0 H ARG A 114 8.024 -0.413 -6.505 1.00 0.00 H new ATOM 0 HA ARG A 114 8.359 -2.170 -4.154 1.00 0.00 H new ATOM 0 HB2 ARG A 114 9.258 -2.659 -6.578 1.00 0.00 H new ATOM 0 HB3 ARG A 114 10.484 -1.470 -6.182 1.00 0.00 H new ATOM 0 HG2 ARG A 114 9.991 -3.683 -4.219 1.00 0.00 H new ATOM 0 HG3 ARG A 114 10.823 -4.076 -5.711 1.00 0.00 H new ATOM 0 HD2 ARG A 114 12.366 -2.062 -5.196 1.00 0.00 H new ATOM 0 HD3 ARG A 114 11.657 -2.065 -3.593 1.00 0.00 H new ATOM 0 HE ARG A 114 13.581 -3.985 -4.671 1.00 0.00 H new ATOM 0 HH11 ARG A 114 11.043 -3.435 -2.270 1.00 0.00 H new ATOM 0 HH12 ARG A 114 11.653 -4.680 -1.175 1.00 0.00 H new ATOM 0 HH21 ARG A 114 14.352 -5.579 -3.255 1.00 0.00 H new ATOM 0 HH22 ARG A 114 13.516 -5.887 -1.729 1.00 0.00 H new ATOM 1472 N VAL A 115 9.642 -0.576 -2.772 1.00 0.00 N ATOM 1473 CA VAL A 115 10.298 0.400 -1.901 1.00 0.00 C ATOM 1474 C VAL A 115 11.490 -0.211 -1.180 1.00 0.00 C ATOM 1475 O VAL A 115 11.386 -1.286 -0.588 1.00 0.00 O ATOM 1476 CB VAL A 115 9.318 0.976 -0.861 1.00 0.00 C ATOM 1477 CG1 VAL A 115 9.962 2.120 -0.094 1.00 0.00 C ATOM 1478 CG2 VAL A 115 8.032 1.431 -1.534 1.00 0.00 C ATOM 0 H VAL A 115 9.312 -1.414 -2.293 1.00 0.00 H new ATOM 0 HA VAL A 115 10.647 1.207 -2.545 1.00 0.00 H new ATOM 0 HB VAL A 115 9.069 0.189 -0.149 1.00 0.00 H new ATOM 0 HG11 VAL A 115 9.254 2.513 0.635 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.851 1.757 0.422 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.244 2.911 -0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 115 7.352 1.835 -0.784 1.00 0.00 H new ATOM 0 HG22 VAL A 115 8.260 2.202 -2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 115 7.562 0.583 -2.031 1.00 0.00 H new ATOM 1488 N ARG A 116 12.619 0.489 -1.213 1.00 0.00 N ATOM 1489 CA ARG A 116 13.833 0.027 -0.560 1.00 0.00 C ATOM 1490 C ARG A 116 14.454 1.151 0.255 1.00 0.00 C ATOM 1491 O ARG A 116 14.487 2.301 -0.162 1.00 0.00 O ATOM 1492 CB ARG A 116 14.841 -0.485 -1.583 1.00 0.00 C ATOM 1493 CG ARG A 116 16.090 -1.091 -0.972 1.00 0.00 C ATOM 1494 CD ARG A 116 15.781 -2.396 -0.247 1.00 0.00 C ATOM 1495 NE ARG A 116 16.041 -3.559 -1.100 1.00 0.00 N ATOM 1496 CZ ARG A 116 17.255 -4.064 -1.305 1.00 0.00 C ATOM 1497 NH1 ARG A 116 18.319 -3.509 -0.748 1.00 0.00 N ATOM 1498 NH2 ARG A 116 17.403 -5.125 -2.086 1.00 0.00 N ATOM 0 H ARG A 116 12.716 1.385 -1.690 1.00 0.00 H new ATOM 0 HA ARG A 116 13.566 -0.794 0.105 1.00 0.00 H new ATOM 0 HB2 ARG A 116 14.357 -1.233 -2.211 1.00 0.00 H new ATOM 0 HB3 ARG A 116 15.131 0.339 -2.235 1.00 0.00 H new ATOM 0 HG2 ARG A 116 16.827 -1.274 -1.754 1.00 0.00 H new ATOM 0 HG3 ARG A 116 16.535 -0.382 -0.274 1.00 0.00 H new ATOM 0 HD2 ARG A 116 16.387 -2.464 0.657 1.00 0.00 H new ATOM 0 HD3 ARG A 116 14.737 -2.400 0.068 1.00 0.00 H new ATOM 0 HE ARG A 116 15.249 -4.006 -1.562 1.00 0.00 H new ATOM 0 HH11 ARG A 116 18.213 -2.686 -0.155 1.00 0.00 H new ATOM 0 HH12 ARG A 116 19.245 -3.904 -0.912 1.00 0.00 H new ATOM 0 HH21 ARG A 116 16.588 -5.551 -2.527 1.00 0.00 H new ATOM 0 HH22 ARG A 116 18.332 -5.515 -2.246 1.00 0.00 H new ATOM 1512 N VAL A 117 14.941 0.813 1.446 1.00 0.00 N ATOM 1513 CA VAL A 117 15.554 1.804 2.322 1.00 0.00 C ATOM 1514 C VAL A 117 17.070 1.830 2.153 1.00 0.00 C ATOM 1515 O VAL A 117 17.680 0.836 1.768 1.00 0.00 O ATOM 1516 CB VAL A 117 15.208 1.544 3.802 1.00 0.00 C ATOM 1517 CG1 VAL A 117 13.700 1.537 4.012 1.00 0.00 C ATOM 1518 CG2 VAL A 117 15.826 0.238 4.292 1.00 0.00 C ATOM 0 H VAL A 117 14.923 -0.134 1.824 1.00 0.00 H new ATOM 0 HA VAL A 117 15.147 2.773 2.033 1.00 0.00 H new ATOM 0 HB VAL A 117 15.632 2.357 4.391 1.00 0.00 H new ATOM 0 HG11 VAL A 117 13.480 1.352 5.063 1.00 0.00 H new ATOM 0 HG12 VAL A 117 13.287 2.503 3.720 1.00 0.00 H new ATOM 0 HG13 VAL A 117 13.252 0.752 3.404 1.00 0.00 H new ATOM 0 HG21 VAL A 117 15.565 0.082 5.339 1.00 0.00 H new ATOM 0 HG22 VAL A 117 15.445 -0.591 3.695 1.00 0.00 H new ATOM 0 HG23 VAL A 117 16.910 0.289 4.192 1.00 0.00 H new ATOM 1528 N TYR A 118 17.670 2.980 2.450 1.00 0.00 N ATOM 1529 CA TYR A 118 19.116 3.151 2.331 1.00 0.00 C ATOM 1530 C TYR A 118 19.872 1.993 2.979 1.00 0.00 C ATOM 1531 O TYR A 118 20.411 1.127 2.290 1.00 0.00 O ATOM 1532 CB TYR A 118 19.544 4.473 2.970 1.00 0.00 C ATOM 1533 CG TYR A 118 19.607 5.626 1.994 1.00 0.00 C ATOM 1534 CD1 TYR A 118 18.467 6.061 1.330 1.00 0.00 C ATOM 1535 CD2 TYR A 118 20.805 6.279 1.735 1.00 0.00 C ATOM 1536 CE1 TYR A 118 18.519 7.114 0.444 1.00 0.00 C ATOM 1537 CE2 TYR A 118 20.866 7.333 0.852 1.00 0.00 C ATOM 1538 CZ TYR A 118 19.721 7.746 0.197 1.00 0.00 C ATOM 1539 OH TYR A 118 19.778 8.795 -0.684 1.00 0.00 O ATOM 0 H TYR A 118 17.175 3.810 2.776 1.00 0.00 H new ATOM 0 HA TYR A 118 19.363 3.164 1.269 1.00 0.00 H new ATOM 0 HB2 TYR A 118 18.847 4.723 3.770 1.00 0.00 H new ATOM 0 HB3 TYR A 118 20.524 4.344 3.430 1.00 0.00 H new ATOM 0 HD1 TYR A 118 17.525 5.565 1.512 1.00 0.00 H new ATOM 0 HD2 TYR A 118 21.705 5.954 2.236 1.00 0.00 H new ATOM 0 HE1 TYR A 118 17.621 7.445 -0.057 1.00 0.00 H new ATOM 0 HE2 TYR A 118 21.805 7.835 0.672 1.00 0.00 H new ATOM 0 HH TYR A 118 20.699 9.125 -0.740 1.00 0.00 H new ATOM 1549 N GLN A 119 19.913 1.987 4.316 1.00 0.00 N ATOM 1550 CA GLN A 119 20.607 0.939 5.047 1.00 0.00 C ATOM 1551 C GLN A 119 19.831 -0.373 5.004 1.00 0.00 C ATOM 1552 O GLN A 119 18.611 -0.390 5.147 1.00 0.00 O ATOM 1553 CB GLN A 119 20.816 1.364 6.501 1.00 0.00 C ATOM 1554 CG GLN A 119 22.060 2.211 6.714 1.00 0.00 C ATOM 1555 CD GLN A 119 23.208 1.422 7.311 1.00 0.00 C ATOM 1556 OE1 GLN A 119 23.333 0.219 7.092 1.00 0.00 O ATOM 1557 NE2 GLN A 119 24.053 2.096 8.082 1.00 0.00 N ATOM 0 H GLN A 119 19.474 2.695 4.905 1.00 0.00 H new ATOM 0 HA GLN A 119 21.574 0.782 4.569 1.00 0.00 H new ATOM 0 HB2 GLN A 119 19.943 1.924 6.836 1.00 0.00 H new ATOM 0 HB3 GLN A 119 20.882 0.473 7.125 1.00 0.00 H new ATOM 0 HG2 GLN A 119 22.373 2.636 5.760 1.00 0.00 H new ATOM 0 HG3 GLN A 119 21.818 3.046 7.371 1.00 0.00 H new ATOM 0 HE21 GLN A 119 23.915 3.094 8.239 1.00 0.00 H new ATOM 0 HE22 GLN A 119 24.841 1.616 8.517 1.00 0.00 H new