USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 618 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 94 ASN : amide:sc= 0.838 K(o=0.84,f=-2.6) USER MOD Set 1.2: A 98 HIS : no HD1:sc= 0 X(o=0.84,f=0.84) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.531 F(o=-2.6,f=-0.53) USER MOD Single : A 25 GLN : amide:sc= -0.133 K(o=-0.13,f=-1.2!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 159:sc= 0.275 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.326 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -0.0207 F(o=-1.4!,f=-0.021) USER MOD Single : A 41 LYS NZ :NH3+ 174:sc= 0.17 (180deg=0.0136) USER MOD Single : A 43 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0966) USER MOD Single : A 44 MET CE :methyl -163:sc= -5.03! (180deg=-6.26!) USER MOD Single : A 47 GLN : amide:sc= -0.848 K(o=-0.85,f=-1.4) USER MOD Single : A 69 SER OG : rot -110:sc= -0.0839 USER MOD Single : A 74 HIS : no HE2:sc= 0.588 K(o=0.59,f=-4.8!) USER MOD Single : A 78 SER OG : rot 180:sc= -0.103 USER MOD Single : A 95 THR OG1 : rot -136:sc= -2.62! USER MOD Single : A 97 GLN :FLIP amide:sc= -1.13 F(o=-2.2!,f=-1.1) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 154:sc= 1.18 (180deg=0.35) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 87 N TYR A 6 -8.895 6.234 0.457 1.00 1.00 N ATOM 88 CA TYR A 6 -10.255 6.162 0.136 1.00 1.00 C ATOM 89 C TYR A 6 -10.829 5.159 1.070 1.00 1.00 C ATOM 90 O TYR A 6 -10.090 4.628 1.901 1.00 1.00 O ATOM 91 CB TYR A 6 -10.460 5.814 -1.331 1.00 1.00 C ATOM 92 CG TYR A 6 -9.961 6.917 -2.240 1.00 1.00 C ATOM 93 CD1 TYR A 6 -10.516 8.188 -2.172 1.00 1.00 C ATOM 94 CD2 TYR A 6 -8.938 6.697 -3.152 1.00 1.00 C ATOM 95 CE1 TYR A 6 -10.071 9.208 -2.981 1.00 1.00 C ATOM 96 CE2 TYR A 6 -8.482 7.721 -3.967 1.00 1.00 C ATOM 97 CZ TYR A 6 -9.055 8.973 -3.874 1.00 1.00 C ATOM 98 OH TYR A 6 -8.611 9.997 -4.679 1.00 1.00 O ATOM 0 HA TYR A 6 -10.762 7.120 0.255 1.00 1.00 H new ATOM 0 HB2 TYR A 6 -9.936 4.886 -1.562 1.00 1.00 H new ATOM 0 HB3 TYR A 6 -11.519 5.638 -1.519 1.00 1.00 H new ATOM 0 HD1 TYR A 6 -11.314 8.380 -1.469 1.00 1.00 H new ATOM 0 HD2 TYR A 6 -8.492 5.716 -3.227 1.00 1.00 H new ATOM 0 HE1 TYR A 6 -10.519 10.189 -2.914 1.00 1.00 H new ATOM 0 HE2 TYR A 6 -7.683 7.540 -4.671 1.00 1.00 H new ATOM 0 HH TYR A 6 -7.888 9.671 -5.254 1.00 1.00 H new ATOM 108 N ARG A 7 -12.075 4.867 0.980 1.00 1.00 N ATOM 109 CA ARG A 7 -12.655 4.056 2.037 1.00 1.00 C ATOM 110 C ARG A 7 -12.991 2.660 1.595 1.00 1.00 C ATOM 111 O ARG A 7 -13.851 2.467 0.753 1.00 1.00 O ATOM 112 CB ARG A 7 -13.868 4.751 2.675 1.00 1.00 C ATOM 113 CG ARG A 7 -13.553 6.146 3.211 1.00 1.00 C ATOM 114 CD ARG A 7 -12.574 6.088 4.378 1.00 1.00 C ATOM 115 NE ARG A 7 -12.157 7.425 4.816 1.00 1.00 N ATOM 116 CZ ARG A 7 -11.099 7.686 5.595 1.00 1.00 C ATOM 117 NH1 ARG A 7 -10.331 6.694 6.045 1.00 1.00 N ATOM 118 NH2 ARG A 7 -10.821 8.937 5.924 1.00 1.00 N ATOM 0 H ARG A 7 -12.705 5.152 0.230 1.00 1.00 H new ATOM 0 HA ARG A 7 -11.883 3.954 2.800 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -14.666 4.825 1.936 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -14.245 4.133 3.490 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -13.133 6.758 2.412 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -14.475 6.630 3.532 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -13.037 5.561 5.213 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -11.696 5.513 4.086 1.00 1.00 H new ATOM 0 HE ARG A 7 -12.717 8.218 4.503 1.00 1.00 H new ATOM 0 HH11 ARG A 7 -10.547 5.729 5.797 1.00 1.00 H new ATOM 0 HH12 ARG A 7 -9.527 6.900 6.638 1.00 1.00 H new ATOM 0 HH21 ARG A 7 -11.411 9.697 5.585 1.00 1.00 H new ATOM 0 HH22 ARG A 7 -10.017 9.142 6.517 1.00 1.00 H new ATOM 132 N PRO A 8 -12.255 1.663 2.106 1.00 1.00 N ATOM 133 CA PRO A 8 -12.593 0.269 1.897 1.00 1.00 C ATOM 134 C PRO A 8 -13.937 -0.001 2.545 1.00 1.00 C ATOM 135 O PRO A 8 -14.077 0.046 3.771 1.00 1.00 O ATOM 136 CB PRO A 8 -11.484 -0.510 2.615 1.00 1.00 C ATOM 137 CG PRO A 8 -10.392 0.476 2.846 1.00 1.00 C ATOM 138 CD PRO A 8 -11.035 1.830 2.902 1.00 1.00 C ATOM 0 HA PRO A 8 -12.664 -0.010 0.846 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -11.843 -0.926 3.556 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -11.136 -1.346 2.009 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -9.866 0.259 3.776 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -9.655 0.431 2.044 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -11.262 2.125 3.927 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -10.386 2.600 2.485 1.00 1.00 H new ATOM 146 N LEU A 9 -14.904 -0.269 1.743 1.00 1.00 N ATOM 147 CA LEU A 9 -16.242 -0.395 2.211 1.00 1.00 C ATOM 148 C LEU A 9 -16.729 -1.806 2.072 1.00 1.00 C ATOM 149 O LEU A 9 -16.167 -2.595 1.307 1.00 1.00 O ATOM 150 CB LEU A 9 -17.143 0.533 1.421 1.00 1.00 C ATOM 151 CG LEU A 9 -18.449 0.877 2.087 1.00 1.00 C ATOM 152 CD1 LEU A 9 -18.255 1.988 3.093 1.00 1.00 C ATOM 153 CD2 LEU A 9 -19.491 1.225 1.073 1.00 1.00 C ATOM 0 H LEU A 9 -14.792 -0.408 0.739 1.00 1.00 H new ATOM 0 HA LEU A 9 -16.265 -0.126 3.267 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -16.601 1.457 1.221 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -17.355 0.073 0.456 1.00 1.00 H new ATOM 0 HG LEU A 9 -18.804 -0.001 2.627 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -19.209 2.223 3.564 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -17.543 1.669 3.854 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -17.872 2.874 2.587 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -20.425 1.469 1.580 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -19.159 2.084 0.490 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -19.650 0.376 0.409 1.00 1.00 H new ATOM 165 N THR A 10 -17.761 -2.120 2.802 1.00 1.00 N ATOM 166 CA THR A 10 -18.373 -3.409 2.729 1.00 1.00 C ATOM 167 C THR A 10 -19.597 -3.301 1.830 1.00 1.00 C ATOM 168 O THR A 10 -20.440 -2.420 2.022 1.00 1.00 O ATOM 169 CB THR A 10 -18.806 -3.892 4.127 1.00 1.00 C ATOM 170 OG1 THR A 10 -17.702 -3.763 5.041 1.00 1.00 O ATOM 171 CG2 THR A 10 -19.252 -5.350 4.078 1.00 1.00 C ATOM 0 H THR A 10 -18.201 -1.484 3.467 1.00 1.00 H new ATOM 0 HA THR A 10 -17.658 -4.128 2.328 1.00 1.00 H new ATOM 0 HB THR A 10 -19.643 -3.280 4.464 1.00 1.00 H new ATOM 0 HG1 THR A 10 -17.977 -4.068 5.931 1.00 1.00 H new ATOM 0 HG21 THR A 10 -19.554 -5.672 5.075 1.00 1.00 H new ATOM 0 HG22 THR A 10 -20.095 -5.450 3.394 1.00 1.00 H new ATOM 0 HG23 THR A 10 -18.427 -5.971 3.730 1.00 1.00 H new ATOM 179 N LEU A 11 -19.661 -4.130 0.839 1.00 1.00 N ATOM 180 CA LEU A 11 -20.752 -4.124 -0.074 1.00 1.00 C ATOM 181 C LEU A 11 -21.324 -5.547 -0.163 1.00 1.00 C ATOM 182 O LEU A 11 -20.573 -6.517 -0.137 1.00 1.00 O ATOM 183 CB LEU A 11 -20.247 -3.614 -1.431 1.00 1.00 C ATOM 184 CG LEU A 11 -21.281 -3.004 -2.371 1.00 1.00 C ATOM 185 CD1 LEU A 11 -22.045 -4.060 -3.102 1.00 1.00 C ATOM 186 CD2 LEU A 11 -22.222 -2.114 -1.599 1.00 1.00 C ATOM 0 H LEU A 11 -18.951 -4.835 0.641 1.00 1.00 H new ATOM 0 HA LEU A 11 -21.552 -3.462 0.258 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -19.475 -2.867 -1.246 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -19.768 -4.445 -1.948 1.00 1.00 H new ATOM 0 HG LEU A 11 -20.751 -2.405 -3.112 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -22.773 -3.590 -3.763 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -21.356 -4.665 -3.692 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -22.563 -4.696 -2.385 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -22.956 -1.683 -2.280 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -22.734 -2.701 -0.836 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -21.657 -1.314 -1.122 1.00 1.00 H new ATOM 198 N ASN A 12 -22.626 -5.681 -0.245 1.00 1.00 N ATOM 199 CA ASN A 12 -23.229 -6.978 -0.271 1.00 1.00 C ATOM 200 C ASN A 12 -23.524 -7.394 -1.702 1.00 1.00 C ATOM 201 O ASN A 12 -24.403 -6.812 -2.364 1.00 1.00 O ATOM 202 CB ASN A 12 -24.493 -6.971 0.569 1.00 1.00 C ATOM 203 CG ASN A 12 -25.121 -8.324 0.694 1.00 1.00 C ATOM 204 OD1 ASN A 12 -26.048 -8.620 -0.177 1.00 1.00 O flip ATOM 205 ND2 ASN A 12 -24.763 -9.109 1.562 1.00 1.00 N flip ATOM 0 H ASN A 12 -23.283 -4.902 -0.295 1.00 1.00 H new ATOM 0 HA ASN A 12 -22.537 -7.706 0.152 1.00 1.00 H new ATOM 0 HB2 ASN A 12 -24.259 -6.592 1.564 1.00 1.00 H new ATOM 0 HB3 ASN A 12 -25.213 -6.282 0.127 1.00 1.00 H new ATOM 0 HD21 ASN A 12 -24.035 -8.840 2.224 1.00 1.00 H new ATOM 0 HD22 ASN A 12 -25.192 -10.032 1.623 1.00 1.00 H new ATOM 212 N ALA A 13 -22.793 -8.391 -2.164 1.00 1.00 N ATOM 213 CA ALA A 13 -22.886 -8.872 -3.531 1.00 1.00 C ATOM 214 C ALA A 13 -24.149 -9.652 -3.745 1.00 1.00 C ATOM 215 O ALA A 13 -24.286 -10.799 -3.272 1.00 1.00 O ATOM 216 CB ALA A 13 -21.688 -9.742 -3.871 1.00 1.00 C ATOM 0 H ALA A 13 -22.112 -8.895 -1.596 1.00 1.00 H new ATOM 0 HA ALA A 13 -22.898 -8.002 -4.188 1.00 1.00 H new ATOM 0 HB1 ALA A 13 -21.774 -10.094 -4.899 1.00 1.00 H new ATOM 0 HB2 ALA A 13 -20.773 -9.160 -3.762 1.00 1.00 H new ATOM 0 HB3 ALA A 13 -21.656 -10.597 -3.196 1.00 1.00 H new ATOM 222 N LEU A 14 -25.073 -9.058 -4.434 1.00 1.00 N ATOM 223 CA LEU A 14 -26.297 -9.704 -4.726 1.00 1.00 C ATOM 224 C LEU A 14 -26.755 -9.319 -6.123 1.00 1.00 C ATOM 225 O LEU A 14 -26.539 -8.195 -6.566 1.00 1.00 O ATOM 226 CB LEU A 14 -27.332 -9.340 -3.686 1.00 1.00 C ATOM 227 CG LEU A 14 -28.624 -10.127 -3.732 1.00 1.00 C ATOM 228 CD1 LEU A 14 -28.335 -11.605 -3.544 1.00 1.00 C ATOM 229 CD2 LEU A 14 -29.559 -9.628 -2.663 1.00 1.00 C ATOM 0 H LEU A 14 -24.992 -8.112 -4.806 1.00 1.00 H new ATOM 0 HA LEU A 14 -26.160 -10.785 -4.698 1.00 1.00 H new ATOM 0 HB2 LEU A 14 -26.887 -9.467 -2.699 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -27.570 -8.282 -3.794 1.00 1.00 H new ATOM 0 HG LEU A 14 -29.099 -9.989 -4.703 1.00 1.00 H new ATOM 0 HD11 LEU A 14 -29.269 -12.166 -3.578 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -27.675 -11.951 -4.340 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -27.853 -11.762 -2.579 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -30.488 -10.196 -2.698 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -29.094 -9.753 -1.685 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -29.773 -8.572 -2.830 1.00 1.00 H new ATOM 241 N LEU A 15 -27.358 -10.249 -6.804 1.00 1.00 N ATOM 242 CA LEU A 15 -27.805 -10.046 -8.156 1.00 1.00 C ATOM 243 C LEU A 15 -29.309 -10.267 -8.242 1.00 1.00 C ATOM 244 O LEU A 15 -29.859 -11.105 -7.531 1.00 1.00 O ATOM 245 CB LEU A 15 -27.041 -10.983 -9.131 1.00 1.00 C ATOM 246 CG LEU A 15 -27.570 -12.417 -9.291 1.00 1.00 C ATOM 247 CD1 LEU A 15 -26.863 -13.124 -10.439 1.00 1.00 C ATOM 248 CD2 LEU A 15 -27.399 -13.222 -8.015 1.00 1.00 C ATOM 0 H LEU A 15 -27.556 -11.179 -6.436 1.00 1.00 H new ATOM 0 HA LEU A 15 -27.591 -9.019 -8.451 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -27.036 -10.514 -10.115 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -26.004 -11.041 -8.800 1.00 1.00 H new ATOM 0 HG LEU A 15 -28.635 -12.346 -9.511 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -27.251 -14.138 -10.536 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -27.038 -12.578 -11.366 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -25.792 -13.163 -10.238 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -27.784 -14.230 -8.167 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -26.341 -13.273 -7.756 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -27.948 -12.742 -7.205 1.00 1.00 H new ATOM 260 N ALA A 16 -29.960 -9.500 -9.068 1.00 1.00 N ATOM 261 CA ALA A 16 -31.387 -9.631 -9.262 1.00 1.00 C ATOM 262 C ALA A 16 -31.667 -10.096 -10.686 1.00 1.00 C ATOM 263 O ALA A 16 -32.661 -9.723 -11.296 1.00 1.00 O ATOM 264 CB ALA A 16 -32.078 -8.306 -8.968 1.00 1.00 C ATOM 0 H ALA A 16 -29.524 -8.767 -9.627 1.00 1.00 H new ATOM 0 HA ALA A 16 -31.784 -10.376 -8.572 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -33.152 -8.415 -9.117 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -31.882 -8.015 -7.936 1.00 1.00 H new ATOM 0 HB3 ALA A 16 -31.694 -7.539 -9.640 1.00 1.00 H new ATOM 270 N VAL A 17 -30.773 -10.927 -11.199 1.00 1.00 N ATOM 271 CA VAL A 17 -30.810 -11.398 -12.529 1.00 1.00 C ATOM 272 C VAL A 17 -32.032 -12.279 -12.817 1.00 1.00 C ATOM 273 O VAL A 17 -32.694 -12.102 -13.836 1.00 1.00 O ATOM 274 CB VAL A 17 -29.488 -12.131 -12.836 1.00 1.00 C ATOM 275 CG1 VAL A 17 -29.591 -12.927 -14.075 1.00 1.00 C ATOM 276 CG2 VAL A 17 -28.350 -11.132 -12.947 1.00 1.00 C ATOM 0 H VAL A 17 -29.985 -11.290 -10.663 1.00 1.00 H new ATOM 0 HA VAL A 17 -30.914 -10.541 -13.194 1.00 1.00 H new ATOM 0 HB VAL A 17 -29.283 -12.816 -12.013 1.00 1.00 H new ATOM 0 HG11 VAL A 17 -28.643 -13.431 -14.263 1.00 1.00 H new ATOM 0 HG12 VAL A 17 -30.381 -13.670 -13.966 1.00 1.00 H new ATOM 0 HG13 VAL A 17 -29.825 -12.269 -14.912 1.00 1.00 H new ATOM 0 HG21 VAL A 17 -27.422 -11.661 -13.164 1.00 1.00 H new ATOM 0 HG22 VAL A 17 -28.562 -10.427 -13.750 1.00 1.00 H new ATOM 0 HG23 VAL A 17 -28.248 -10.591 -12.006 1.00 1.00 H new ATOM 286 N GLY A 18 -32.331 -13.200 -11.930 1.00 1.00 N ATOM 287 CA GLY A 18 -33.469 -14.064 -12.170 1.00 1.00 C ATOM 288 C GLY A 18 -33.561 -15.240 -11.214 1.00 1.00 C ATOM 289 O GLY A 18 -34.281 -15.166 -10.229 1.00 1.00 O ATOM 0 H GLY A 18 -31.823 -13.370 -11.062 1.00 1.00 H new ATOM 0 HA2 GLY A 18 -34.383 -13.474 -12.094 1.00 1.00 H new ATOM 0 HA3 GLY A 18 -33.417 -14.442 -13.191 1.00 1.00 H new ATOM 293 N PRO A 19 -32.794 -16.333 -11.457 1.00 1.00 N ATOM 294 CA PRO A 19 -32.891 -17.583 -10.658 1.00 1.00 C ATOM 295 C PRO A 19 -32.611 -17.352 -9.187 1.00 1.00 C ATOM 296 O PRO A 19 -33.181 -18.006 -8.320 1.00 1.00 O ATOM 297 CB PRO A 19 -31.802 -18.480 -11.267 1.00 1.00 C ATOM 298 CG PRO A 19 -30.889 -17.532 -11.965 1.00 1.00 C ATOM 299 CD PRO A 19 -31.778 -16.452 -12.505 1.00 1.00 C ATOM 0 HA PRO A 19 -33.893 -18.011 -10.697 1.00 1.00 H new ATOM 0 HB2 PRO A 19 -31.276 -19.045 -10.497 1.00 1.00 H new ATOM 0 HB3 PRO A 19 -32.227 -19.206 -11.960 1.00 1.00 H new ATOM 0 HG2 PRO A 19 -30.146 -17.124 -11.279 1.00 1.00 H new ATOM 0 HG3 PRO A 19 -30.343 -18.030 -12.767 1.00 1.00 H new ATOM 0 HD2 PRO A 19 -31.238 -15.518 -12.656 1.00 1.00 H new ATOM 0 HD3 PRO A 19 -32.214 -16.726 -13.465 1.00 1.00 H new ATOM 307 N GLY A 20 -31.750 -16.414 -8.927 1.00 1.00 N ATOM 308 CA GLY A 20 -31.409 -16.071 -7.593 1.00 1.00 C ATOM 309 C GLY A 20 -31.570 -14.605 -7.381 1.00 1.00 C ATOM 310 O GLY A 20 -30.727 -13.968 -6.749 1.00 1.00 O ATOM 0 H GLY A 20 -31.267 -15.868 -9.641 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -32.043 -16.618 -6.896 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -30.380 -16.365 -7.386 1.00 1.00 H new ATOM 314 N ALA A 21 -32.647 -14.055 -7.929 1.00 1.00 N ATOM 315 CA ALA A 21 -32.926 -12.623 -7.868 1.00 1.00 C ATOM 316 C ALA A 21 -33.209 -12.118 -6.442 1.00 1.00 C ATOM 317 O ALA A 21 -34.353 -11.903 -6.052 1.00 1.00 O ATOM 318 CB ALA A 21 -34.060 -12.244 -8.812 1.00 1.00 C ATOM 0 H ALA A 21 -33.355 -14.591 -8.431 1.00 1.00 H new ATOM 0 HA ALA A 21 -32.014 -12.124 -8.196 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -34.246 -11.172 -8.745 1.00 1.00 H new ATOM 0 HB2 ALA A 21 -33.784 -12.502 -9.834 1.00 1.00 H new ATOM 0 HB3 ALA A 21 -34.963 -12.787 -8.532 1.00 1.00 H new ATOM 324 N GLY A 22 -32.156 -11.976 -5.674 1.00 1.00 N ATOM 325 CA GLY A 22 -32.247 -11.425 -4.350 1.00 1.00 C ATOM 326 C GLY A 22 -32.280 -12.519 -3.340 1.00 1.00 C ATOM 327 O GLY A 22 -32.390 -12.285 -2.146 1.00 1.00 O ATOM 0 H GLY A 22 -31.211 -12.241 -5.953 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -31.396 -10.771 -4.161 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -33.145 -10.813 -4.264 1.00 1.00 H new ATOM 331 N GLU A 23 -32.158 -13.720 -3.836 1.00 1.00 N ATOM 332 CA GLU A 23 -32.267 -14.913 -3.041 1.00 1.00 C ATOM 333 C GLU A 23 -31.082 -15.842 -3.319 1.00 1.00 C ATOM 334 O GLU A 23 -31.149 -17.055 -3.096 1.00 1.00 O ATOM 335 CB GLU A 23 -33.556 -15.600 -3.446 1.00 1.00 C ATOM 336 CG GLU A 23 -34.813 -14.818 -3.093 1.00 1.00 C ATOM 337 CD GLU A 23 -36.076 -15.494 -3.550 1.00 1.00 C ATOM 338 OE1 GLU A 23 -36.463 -15.332 -4.733 1.00 1.00 O ATOM 339 OE2 GLU A 23 -36.720 -16.175 -2.735 1.00 1.00 O ATOM 0 H GLU A 23 -31.976 -13.900 -4.823 1.00 1.00 H new ATOM 0 HA GLU A 23 -32.266 -14.669 -1.979 1.00 1.00 H new ATOM 0 HB2 GLU A 23 -33.540 -15.775 -4.522 1.00 1.00 H new ATOM 0 HB3 GLU A 23 -33.601 -16.577 -2.965 1.00 1.00 H new ATOM 0 HG2 GLU A 23 -34.854 -14.676 -2.013 1.00 1.00 H new ATOM 0 HG3 GLU A 23 -34.755 -13.827 -3.543 1.00 1.00 H new ATOM 346 N ALA A 24 -29.996 -15.266 -3.767 1.00 1.00 N ATOM 347 CA ALA A 24 -28.863 -16.044 -4.217 1.00 1.00 C ATOM 348 C ALA A 24 -27.795 -16.233 -3.163 1.00 1.00 C ATOM 349 O ALA A 24 -27.690 -17.283 -2.539 1.00 1.00 O ATOM 350 CB ALA A 24 -28.237 -15.380 -5.417 1.00 1.00 C ATOM 0 H ALA A 24 -29.869 -14.256 -3.831 1.00 1.00 H new ATOM 0 HA ALA A 24 -29.254 -17.031 -4.462 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -27.383 -15.968 -5.754 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -28.971 -15.313 -6.220 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -27.903 -14.378 -5.146 1.00 1.00 H new ATOM 356 N GLN A 25 -27.022 -15.198 -2.961 1.00 1.00 N ATOM 357 CA GLN A 25 -25.834 -15.287 -2.168 1.00 1.00 C ATOM 358 C GLN A 25 -25.816 -14.247 -1.049 1.00 1.00 C ATOM 359 O GLN A 25 -25.906 -14.597 0.120 1.00 1.00 O ATOM 360 CB GLN A 25 -24.630 -15.145 -3.111 1.00 1.00 C ATOM 361 CG GLN A 25 -24.767 -13.972 -4.066 1.00 1.00 C ATOM 362 CD GLN A 25 -23.900 -14.053 -5.266 1.00 1.00 C ATOM 363 OE1 GLN A 25 -23.584 -15.123 -5.758 1.00 1.00 O ATOM 364 NE2 GLN A 25 -23.522 -12.923 -5.751 1.00 1.00 N ATOM 0 H GLN A 25 -27.203 -14.270 -3.344 1.00 1.00 H new ATOM 0 HA GLN A 25 -25.794 -16.253 -1.664 1.00 1.00 H new ATOM 0 HB2 GLN A 25 -23.723 -15.022 -2.519 1.00 1.00 H new ATOM 0 HB3 GLN A 25 -24.514 -16.064 -3.685 1.00 1.00 H new ATOM 0 HG2 GLN A 25 -25.806 -13.901 -4.388 1.00 1.00 H new ATOM 0 HG3 GLN A 25 -24.536 -13.053 -3.528 1.00 1.00 H new ATOM 0 HE21 GLN A 25 -23.812 -12.053 -5.304 1.00 1.00 H new ATOM 0 HE22 GLN A 25 -22.932 -12.897 -6.583 1.00 1.00 H new ATOM 373 N GLY A 26 -25.755 -12.968 -1.422 1.00 1.00 N ATOM 374 CA GLY A 26 -25.659 -11.912 -0.445 1.00 1.00 C ATOM 375 C GLY A 26 -24.367 -12.006 0.339 1.00 1.00 C ATOM 376 O GLY A 26 -24.375 -12.229 1.547 1.00 1.00 O ATOM 0 H GLY A 26 -25.771 -12.651 -2.391 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -25.715 -10.945 -0.945 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -26.507 -11.967 0.238 1.00 1.00 H new ATOM 380 N VAL A 27 -23.261 -11.828 -0.346 1.00 1.00 N ATOM 381 CA VAL A 27 -21.955 -12.003 0.270 1.00 1.00 C ATOM 382 C VAL A 27 -21.279 -10.659 0.457 1.00 1.00 C ATOM 383 O VAL A 27 -21.235 -9.858 -0.477 1.00 1.00 O ATOM 384 CB VAL A 27 -21.047 -12.920 -0.598 1.00 1.00 C ATOM 385 CG1 VAL A 27 -19.709 -13.194 0.086 1.00 1.00 C ATOM 386 CG2 VAL A 27 -21.763 -14.221 -0.907 1.00 1.00 C ATOM 0 H VAL A 27 -23.234 -11.562 -1.330 1.00 1.00 H new ATOM 0 HA VAL A 27 -22.104 -12.475 1.241 1.00 1.00 H new ATOM 0 HB VAL A 27 -20.837 -12.399 -1.532 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -19.101 -13.838 -0.549 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -19.187 -12.252 0.254 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -19.883 -13.688 1.042 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -21.118 -14.856 -1.515 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -22.003 -14.734 0.024 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -22.683 -14.009 -1.452 1.00 1.00 H new ATOM 396 N PRO A 28 -20.774 -10.371 1.666 1.00 1.00 N ATOM 397 CA PRO A 28 -20.048 -9.139 1.927 1.00 1.00 C ATOM 398 C PRO A 28 -18.686 -9.142 1.240 1.00 1.00 C ATOM 399 O PRO A 28 -17.767 -9.877 1.626 1.00 1.00 O ATOM 400 CB PRO A 28 -19.879 -9.125 3.453 1.00 1.00 C ATOM 401 CG PRO A 28 -19.987 -10.554 3.864 1.00 1.00 C ATOM 402 CD PRO A 28 -20.900 -11.213 2.873 1.00 1.00 C ATOM 0 HA PRO A 28 -20.573 -8.263 1.547 1.00 1.00 H new ATOM 0 HB2 PRO A 28 -18.916 -8.703 3.740 1.00 1.00 H new ATOM 0 HB3 PRO A 28 -20.648 -8.517 3.930 1.00 1.00 H new ATOM 0 HG2 PRO A 28 -19.007 -11.032 3.867 1.00 1.00 H new ATOM 0 HG3 PRO A 28 -20.386 -10.638 4.875 1.00 1.00 H new ATOM 0 HD2 PRO A 28 -20.601 -12.242 2.676 1.00 1.00 H new ATOM 0 HD3 PRO A 28 -21.928 -11.243 3.234 1.00 1.00 H new ATOM 410 N VAL A 29 -18.578 -8.349 0.221 1.00 1.00 N ATOM 411 CA VAL A 29 -17.362 -8.201 -0.537 1.00 1.00 C ATOM 412 C VAL A 29 -16.899 -6.763 -0.410 1.00 1.00 C ATOM 413 O VAL A 29 -17.716 -5.841 -0.410 1.00 1.00 O ATOM 414 CB VAL A 29 -17.563 -8.550 -2.035 1.00 1.00 C ATOM 415 CG1 VAL A 29 -16.265 -8.394 -2.817 1.00 1.00 C ATOM 416 CG2 VAL A 29 -18.140 -9.954 -2.207 1.00 1.00 C ATOM 0 H VAL A 29 -19.346 -7.771 -0.120 1.00 1.00 H new ATOM 0 HA VAL A 29 -16.618 -8.892 -0.141 1.00 1.00 H new ATOM 0 HB VAL A 29 -18.285 -7.842 -2.441 1.00 1.00 H new ATOM 0 HG11 VAL A 29 -16.438 -8.646 -3.863 1.00 1.00 H new ATOM 0 HG12 VAL A 29 -15.918 -7.363 -2.744 1.00 1.00 H new ATOM 0 HG13 VAL A 29 -15.509 -9.061 -2.404 1.00 1.00 H new ATOM 0 HG21 VAL A 29 -18.269 -10.167 -3.268 1.00 1.00 H new ATOM 0 HG22 VAL A 29 -17.458 -10.684 -1.770 1.00 1.00 H new ATOM 0 HG23 VAL A 29 -19.106 -10.014 -1.705 1.00 1.00 H new ATOM 426 N LYS A 30 -15.622 -6.574 -0.248 1.00 1.00 N ATOM 427 CA LYS A 30 -15.097 -5.250 -0.055 1.00 1.00 C ATOM 428 C LYS A 30 -14.862 -4.522 -1.345 1.00 1.00 C ATOM 429 O LYS A 30 -14.695 -5.128 -2.401 1.00 1.00 O ATOM 430 CB LYS A 30 -13.870 -5.240 0.825 1.00 1.00 C ATOM 431 CG LYS A 30 -14.192 -5.578 2.257 1.00 1.00 C ATOM 432 CD LYS A 30 -12.961 -5.622 3.125 1.00 1.00 C ATOM 433 CE LYS A 30 -12.312 -4.258 3.282 1.00 1.00 C ATOM 434 NZ LYS A 30 -11.186 -4.300 4.233 1.00 1.00 N ATOM 0 H LYS A 30 -14.924 -7.318 -0.245 1.00 1.00 H new ATOM 0 HA LYS A 30 -15.874 -4.698 0.474 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -13.143 -5.955 0.440 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -13.403 -4.256 0.782 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -14.888 -4.839 2.655 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -14.696 -6.544 2.296 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -13.227 -6.010 4.108 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -12.240 -6.316 2.693 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -11.957 -3.909 2.312 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -13.054 -3.539 3.627 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -10.766 -3.352 4.316 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -11.530 -4.609 5.165 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -10.467 -4.968 3.890 1.00 1.00 H new ATOM 448 N VAL A 31 -14.870 -3.227 -1.240 1.00 1.00 N ATOM 449 CA VAL A 31 -14.733 -2.332 -2.367 1.00 1.00 C ATOM 450 C VAL A 31 -14.074 -1.017 -1.865 1.00 1.00 C ATOM 451 O VAL A 31 -13.727 -0.934 -0.684 1.00 1.00 O ATOM 452 CB VAL A 31 -16.141 -2.093 -3.008 1.00 1.00 C ATOM 453 CG1 VAL A 31 -17.083 -1.374 -2.063 1.00 1.00 C ATOM 454 CG2 VAL A 31 -16.064 -1.409 -4.360 1.00 1.00 C ATOM 0 H VAL A 31 -14.974 -2.744 -0.348 1.00 1.00 H new ATOM 0 HA VAL A 31 -14.095 -2.757 -3.142 1.00 1.00 H new ATOM 0 HB VAL A 31 -16.562 -3.082 -3.190 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -18.047 -1.230 -2.550 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -17.218 -1.970 -1.160 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -16.662 -0.404 -1.798 1.00 1.00 H new ATOM 0 HG21 VAL A 31 -17.070 -1.270 -4.755 1.00 1.00 H new ATOM 0 HG22 VAL A 31 -15.580 -0.439 -4.250 1.00 1.00 H new ATOM 0 HG23 VAL A 31 -15.486 -2.027 -5.048 1.00 1.00 H new ATOM 464 N LEU A 32 -13.871 -0.027 -2.728 1.00 1.00 N ATOM 465 CA LEU A 32 -13.266 1.223 -2.317 1.00 1.00 C ATOM 466 C LEU A 32 -14.248 2.306 -2.572 1.00 1.00 C ATOM 467 O LEU A 32 -15.076 2.172 -3.433 1.00 1.00 O ATOM 468 CB LEU A 32 -12.016 1.532 -3.130 1.00 1.00 C ATOM 469 CG LEU A 32 -10.989 2.464 -2.484 1.00 1.00 C ATOM 470 CD1 LEU A 32 -10.400 1.838 -1.229 1.00 1.00 C ATOM 471 CD2 LEU A 32 -9.895 2.805 -3.478 1.00 1.00 C ATOM 0 H LEU A 32 -14.119 -0.072 -3.716 1.00 1.00 H new ATOM 0 HA LEU A 32 -12.991 1.149 -1.265 1.00 1.00 H new ATOM 0 HB2 LEU A 32 -11.521 0.590 -3.364 1.00 1.00 H new ATOM 0 HB3 LEU A 32 -12.327 1.972 -4.077 1.00 1.00 H new ATOM 0 HG LEU A 32 -11.495 3.384 -2.192 1.00 1.00 H new ATOM 0 HD11 LEU A 32 -9.673 2.520 -0.789 1.00 1.00 H new ATOM 0 HD12 LEU A 32 -11.197 1.644 -0.511 1.00 1.00 H new ATOM 0 HD13 LEU A 32 -9.908 0.900 -1.487 1.00 1.00 H new ATOM 0 HD21 LEU A 32 -9.170 3.469 -3.007 1.00 1.00 H new ATOM 0 HD22 LEU A 32 -9.396 1.890 -3.798 1.00 1.00 H new ATOM 0 HD23 LEU A 32 -10.332 3.301 -4.344 1.00 1.00 H new ATOM 483 N ASP A 33 -14.126 3.385 -1.852 1.00 1.00 N ATOM 484 CA ASP A 33 -15.021 4.538 -1.996 1.00 1.00 C ATOM 485 C ASP A 33 -14.861 5.136 -3.373 1.00 1.00 C ATOM 486 O ASP A 33 -15.828 5.654 -3.974 1.00 1.00 O ATOM 487 CB ASP A 33 -14.677 5.577 -0.923 1.00 1.00 C ATOM 488 CG ASP A 33 -15.542 6.824 -0.945 1.00 1.00 C ATOM 489 OD1 ASP A 33 -16.699 6.785 -0.486 1.00 1.00 O ATOM 490 OD2 ASP A 33 -15.057 7.871 -1.377 1.00 1.00 O ATOM 0 H ASP A 33 -13.405 3.507 -1.141 1.00 1.00 H new ATOM 0 HA ASP A 33 -16.056 4.221 -1.871 1.00 1.00 H new ATOM 0 HB2 ASP A 33 -14.764 5.109 0.057 1.00 1.00 H new ATOM 0 HB3 ASP A 33 -13.635 5.872 -1.044 1.00 1.00 H new ATOM 495 N CYS A 34 -13.635 5.001 -3.896 1.00 1.00 N ATOM 496 CA CYS A 34 -13.233 5.583 -5.154 1.00 1.00 C ATOM 497 C CYS A 34 -13.159 4.517 -6.228 1.00 1.00 C ATOM 498 O CYS A 34 -12.294 4.556 -7.115 1.00 1.00 O ATOM 499 CB CYS A 34 -11.889 6.277 -5.001 1.00 1.00 C ATOM 500 SG CYS A 34 -11.598 7.646 -6.145 1.00 1.00 S ATOM 0 H CYS A 34 -12.893 4.473 -3.438 1.00 1.00 H new ATOM 0 HA CYS A 34 -13.976 6.322 -5.453 1.00 1.00 H new ATOM 0 HB2 CYS A 34 -11.805 6.652 -3.981 1.00 1.00 H new ATOM 0 HB3 CYS A 34 -11.099 5.538 -5.135 1.00 1.00 H new ATOM 0 HG CYS A 34 -10.677 8.426 -5.663 1.00 1.00 H new ATOM 506 N ASP A 35 -14.023 3.557 -6.121 1.00 1.00 N ATOM 507 CA ASP A 35 -14.202 2.539 -7.135 1.00 1.00 C ATOM 508 C ASP A 35 -14.856 3.163 -8.387 1.00 1.00 C ATOM 509 O ASP A 35 -14.812 4.366 -8.600 1.00 1.00 O ATOM 510 CB ASP A 35 -15.161 1.465 -6.580 1.00 1.00 C ATOM 511 CG ASP A 35 -16.607 1.994 -6.388 1.00 1.00 C ATOM 512 OD1 ASP A 35 -16.782 3.104 -5.810 1.00 1.00 O ATOM 513 OD2 ASP A 35 -17.548 1.314 -6.828 1.00 1.00 O ATOM 0 H ASP A 35 -14.640 3.448 -5.316 1.00 1.00 H new ATOM 0 HA ASP A 35 -13.236 2.108 -7.396 1.00 1.00 H new ATOM 0 HB2 ASP A 35 -15.178 0.613 -7.259 1.00 1.00 H new ATOM 0 HB3 ASP A 35 -14.781 1.103 -5.624 1.00 1.00 H new ATOM 518 N THR A 36 -15.369 2.339 -9.217 1.00 1.00 N ATOM 519 CA THR A 36 -16.238 2.741 -10.276 1.00 1.00 C ATOM 520 C THR A 36 -17.270 1.671 -10.309 1.00 1.00 C ATOM 521 O THR A 36 -17.018 0.575 -9.782 1.00 1.00 O ATOM 522 CB THR A 36 -15.574 2.861 -11.695 1.00 1.00 C ATOM 523 OG1 THR A 36 -15.268 1.580 -12.229 1.00 1.00 O ATOM 524 CG2 THR A 36 -14.317 3.711 -11.668 1.00 1.00 C ATOM 0 H THR A 36 -15.197 1.334 -9.186 1.00 1.00 H new ATOM 0 HA THR A 36 -16.605 3.748 -10.076 1.00 1.00 H new ATOM 0 HB THR A 36 -16.305 3.353 -12.337 1.00 1.00 H new ATOM 0 HG1 THR A 36 -14.858 1.684 -13.113 1.00 1.00 H new ATOM 0 HG21 THR A 36 -13.893 3.765 -12.671 1.00 1.00 H new ATOM 0 HG22 THR A 36 -14.564 4.715 -11.324 1.00 1.00 H new ATOM 0 HG23 THR A 36 -13.590 3.264 -10.990 1.00 1.00 H new ATOM 532 N ILE A 37 -18.387 1.919 -10.914 1.00 1.00 N ATOM 533 CA ILE A 37 -19.429 0.930 -10.950 1.00 1.00 C ATOM 534 C ILE A 37 -18.949 -0.376 -11.586 1.00 1.00 C ATOM 535 O ILE A 37 -19.153 -1.457 -10.988 1.00 1.00 O ATOM 536 CB ILE A 37 -20.693 1.460 -11.665 1.00 1.00 C ATOM 537 CG1 ILE A 37 -21.188 2.714 -10.949 1.00 1.00 C ATOM 538 CG2 ILE A 37 -21.804 0.395 -11.712 1.00 1.00 C ATOM 539 CD1 ILE A 37 -21.435 2.529 -9.485 1.00 1.00 C ATOM 0 H ILE A 37 -18.606 2.794 -11.390 1.00 1.00 H new ATOM 0 HA ILE A 37 -19.697 0.715 -9.916 1.00 1.00 H new ATOM 0 HB ILE A 37 -20.432 1.704 -12.695 1.00 1.00 H new ATOM 0 HG12 ILE A 37 -20.455 3.509 -11.084 1.00 1.00 H new ATOM 0 HG13 ILE A 37 -22.111 3.048 -11.422 1.00 1.00 H new ATOM 0 HG21 ILE A 37 -22.677 0.802 -12.222 1.00 1.00 H new ATOM 0 HG22 ILE A 37 -21.445 -0.482 -12.251 1.00 1.00 H new ATOM 0 HG23 ILE A 37 -22.077 0.109 -10.696 1.00 1.00 H new ATOM 0 HD11 ILE A 37 -21.784 3.467 -9.054 1.00 1.00 H new ATOM 0 HD12 ILE A 37 -22.192 1.758 -9.338 1.00 1.00 H new ATOM 0 HD13 ILE A 37 -20.509 2.227 -8.995 1.00 1.00 H new ATOM 551 N SER A 38 -18.296 -0.284 -12.721 1.00 1.00 N ATOM 552 CA SER A 38 -17.767 -1.458 -13.390 1.00 1.00 C ATOM 553 C SER A 38 -16.656 -2.092 -12.535 1.00 1.00 C ATOM 554 O SER A 38 -16.644 -3.308 -12.315 1.00 1.00 O ATOM 555 CB SER A 38 -17.213 -1.070 -14.761 1.00 1.00 C ATOM 556 OG SER A 38 -16.854 -2.212 -15.528 1.00 1.00 O ATOM 0 H SER A 38 -18.116 0.595 -13.206 1.00 1.00 H new ATOM 0 HA SER A 38 -18.569 -2.183 -13.524 1.00 1.00 H new ATOM 0 HB2 SER A 38 -17.959 -0.488 -15.303 1.00 1.00 H new ATOM 0 HB3 SER A 38 -16.340 -0.430 -14.632 1.00 1.00 H new ATOM 0 HG SER A 38 -16.506 -1.925 -16.398 1.00 1.00 H new ATOM 562 N GLN A 39 -15.775 -1.243 -11.994 1.00 1.00 N ATOM 563 CA GLN A 39 -14.601 -1.702 -11.227 1.00 1.00 C ATOM 564 C GLN A 39 -15.014 -2.443 -9.984 1.00 1.00 C ATOM 565 O GLN A 39 -14.415 -3.464 -9.614 1.00 1.00 O ATOM 566 CB GLN A 39 -13.744 -0.509 -10.853 1.00 1.00 C ATOM 567 CG GLN A 39 -12.539 -0.796 -9.989 1.00 1.00 C ATOM 568 CD GLN A 39 -11.749 0.457 -9.715 1.00 1.00 C ATOM 569 OE1 GLN A 39 -11.671 1.322 -10.698 1.00 1.00 O flip ATOM 570 NE2 GLN A 39 -11.210 0.646 -8.621 1.00 1.00 N flip ATOM 0 H GLN A 39 -15.850 -0.229 -12.071 1.00 1.00 H new ATOM 0 HA GLN A 39 -14.030 -2.388 -11.853 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -13.401 -0.033 -11.771 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -14.373 0.215 -10.334 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -12.862 -1.238 -9.046 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -11.901 -1.529 -10.483 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -11.295 -0.053 -7.883 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -10.679 1.501 -8.455 1.00 1.00 H new ATOM 579 N ALA A 40 -16.033 -1.938 -9.334 1.00 1.00 N ATOM 580 CA ALA A 40 -16.536 -2.558 -8.143 1.00 1.00 C ATOM 581 C ALA A 40 -17.073 -3.907 -8.446 1.00 1.00 C ATOM 582 O ALA A 40 -16.818 -4.847 -7.716 1.00 1.00 O ATOM 583 CB ALA A 40 -17.592 -1.708 -7.483 1.00 1.00 C ATOM 0 H ALA A 40 -16.530 -1.093 -9.616 1.00 1.00 H new ATOM 0 HA ALA A 40 -15.705 -2.659 -7.445 1.00 1.00 H new ATOM 0 HB1 ALA A 40 -17.951 -2.208 -6.583 1.00 1.00 H new ATOM 0 HB2 ALA A 40 -17.166 -0.741 -7.215 1.00 1.00 H new ATOM 0 HB3 ALA A 40 -18.423 -1.560 -8.172 1.00 1.00 H new ATOM 589 N LYS A 41 -17.767 -4.016 -9.567 1.00 1.00 N ATOM 590 CA LYS A 41 -18.368 -5.274 -9.953 1.00 1.00 C ATOM 591 C LYS A 41 -17.306 -6.330 -10.162 1.00 1.00 C ATOM 592 O LYS A 41 -17.533 -7.497 -9.860 1.00 1.00 O ATOM 593 CB LYS A 41 -19.256 -5.137 -11.200 1.00 1.00 C ATOM 594 CG LYS A 41 -20.428 -4.156 -11.060 1.00 1.00 C ATOM 595 CD LYS A 41 -21.371 -4.475 -9.888 1.00 1.00 C ATOM 596 CE LYS A 41 -21.000 -3.690 -8.611 1.00 1.00 C ATOM 597 NZ LYS A 41 -20.908 -2.213 -8.846 1.00 1.00 N ATOM 0 H LYS A 41 -17.926 -3.249 -10.221 1.00 1.00 H new ATOM 0 HA LYS A 41 -19.016 -5.586 -9.134 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -18.634 -4.819 -12.037 1.00 1.00 H new ATOM 0 HB3 LYS A 41 -19.653 -6.120 -11.454 1.00 1.00 H new ATOM 0 HG2 LYS A 41 -20.032 -3.149 -10.931 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -21.002 -4.157 -11.986 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -22.396 -4.238 -10.173 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -21.338 -5.544 -9.678 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -21.745 -3.885 -7.840 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -20.045 -4.053 -8.231 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -20.757 -1.726 -7.940 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -20.112 -2.012 -9.484 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -21.791 -1.875 -9.278 1.00 1.00 H new ATOM 611 N GLU A 42 -16.133 -5.905 -10.641 1.00 1.00 N ATOM 612 CA GLU A 42 -15.049 -6.835 -10.927 1.00 1.00 C ATOM 613 C GLU A 42 -14.568 -7.503 -9.648 1.00 1.00 C ATOM 614 O GLU A 42 -14.414 -8.715 -9.590 1.00 1.00 O ATOM 615 CB GLU A 42 -13.886 -6.119 -11.591 1.00 1.00 C ATOM 616 CG GLU A 42 -14.245 -5.470 -12.905 1.00 1.00 C ATOM 617 CD GLU A 42 -13.044 -4.869 -13.596 1.00 1.00 C ATOM 618 OE1 GLU A 42 -12.287 -4.112 -12.952 1.00 1.00 O ATOM 619 OE2 GLU A 42 -12.835 -5.157 -14.803 1.00 1.00 O ATOM 0 H GLU A 42 -15.915 -4.928 -10.836 1.00 1.00 H new ATOM 0 HA GLU A 42 -15.432 -7.596 -11.607 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -13.504 -5.357 -10.912 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -13.078 -6.832 -11.757 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -14.705 -6.211 -13.559 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -14.989 -4.692 -12.732 1.00 1.00 H new ATOM 626 N LYS A 43 -14.370 -6.703 -8.615 1.00 1.00 N ATOM 627 CA LYS A 43 -13.903 -7.214 -7.341 1.00 1.00 C ATOM 628 C LYS A 43 -14.962 -8.114 -6.715 1.00 1.00 C ATOM 629 O LYS A 43 -14.645 -9.129 -6.108 1.00 1.00 O ATOM 630 CB LYS A 43 -13.526 -6.073 -6.401 1.00 1.00 C ATOM 631 CG LYS A 43 -12.771 -6.502 -5.159 1.00 1.00 C ATOM 632 CD LYS A 43 -12.289 -5.297 -4.356 1.00 1.00 C ATOM 633 CE LYS A 43 -10.814 -4.985 -4.612 1.00 1.00 C ATOM 634 NZ LYS A 43 -10.579 -4.379 -5.942 1.00 1.00 N ATOM 0 H LYS A 43 -14.526 -5.695 -8.635 1.00 1.00 H new ATOM 0 HA LYS A 43 -13.006 -7.808 -7.514 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -12.918 -5.354 -6.950 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -14.435 -5.555 -6.097 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -13.415 -7.122 -4.536 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -11.917 -7.116 -5.445 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -12.893 -4.426 -4.613 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -12.439 -5.487 -3.293 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -10.451 -4.307 -3.839 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -10.233 -5.903 -4.528 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -9.586 -4.080 -6.017 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -10.787 -5.078 -6.684 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -11.199 -3.553 -6.061 1.00 1.00 H new ATOM 648 N MET A 44 -16.222 -7.730 -6.880 1.00 1.00 N ATOM 649 CA MET A 44 -17.340 -8.501 -6.340 1.00 1.00 C ATOM 650 C MET A 44 -17.391 -9.889 -6.972 1.00 1.00 C ATOM 651 O MET A 44 -17.572 -10.902 -6.285 1.00 1.00 O ATOM 652 CB MET A 44 -18.669 -7.795 -6.621 1.00 1.00 C ATOM 653 CG MET A 44 -18.723 -6.371 -6.133 1.00 1.00 C ATOM 654 SD MET A 44 -20.266 -5.976 -5.347 1.00 1.00 S ATOM 655 CE MET A 44 -19.933 -6.730 -3.768 1.00 1.00 C ATOM 0 H MET A 44 -16.498 -6.887 -7.384 1.00 1.00 H new ATOM 0 HA MET A 44 -17.188 -8.589 -5.264 1.00 1.00 H new ATOM 0 HB2 MET A 44 -18.855 -7.807 -7.695 1.00 1.00 H new ATOM 0 HB3 MET A 44 -19.475 -8.360 -6.152 1.00 1.00 H new ATOM 0 HG2 MET A 44 -17.907 -6.201 -5.430 1.00 1.00 H new ATOM 0 HG3 MET A 44 -18.565 -5.696 -6.974 1.00 1.00 H new ATOM 0 HE1 MET A 44 -20.868 -6.865 -3.225 1.00 1.00 H new ATOM 0 HE2 MET A 44 -19.459 -7.699 -3.921 1.00 1.00 H new ATOM 0 HE3 MET A 44 -19.268 -6.087 -3.191 1.00 1.00 H new ATOM 665 N LEU A 45 -17.210 -9.940 -8.288 1.00 1.00 N ATOM 666 CA LEU A 45 -17.271 -11.195 -9.002 1.00 1.00 C ATOM 667 C LEU A 45 -16.017 -12.034 -8.801 1.00 1.00 C ATOM 668 O LEU A 45 -16.071 -13.260 -8.867 1.00 1.00 O ATOM 669 CB LEU A 45 -17.647 -11.022 -10.503 1.00 1.00 C ATOM 670 CG LEU A 45 -16.737 -10.158 -11.391 1.00 1.00 C ATOM 671 CD1 LEU A 45 -15.551 -10.960 -11.914 1.00 1.00 C ATOM 672 CD2 LEU A 45 -17.535 -9.575 -12.549 1.00 1.00 C ATOM 0 H LEU A 45 -17.021 -9.126 -8.873 1.00 1.00 H new ATOM 0 HA LEU A 45 -18.092 -11.758 -8.558 1.00 1.00 H new ATOM 0 HB2 LEU A 45 -17.699 -12.015 -10.949 1.00 1.00 H new ATOM 0 HB3 LEU A 45 -18.651 -10.600 -10.547 1.00 1.00 H new ATOM 0 HG LEU A 45 -16.346 -9.342 -10.783 1.00 1.00 H new ATOM 0 HD11 LEU A 45 -14.927 -10.321 -12.538 1.00 1.00 H new ATOM 0 HD12 LEU A 45 -14.964 -11.331 -11.074 1.00 1.00 H new ATOM 0 HD13 LEU A 45 -15.913 -11.802 -12.504 1.00 1.00 H new ATOM 0 HD21 LEU A 45 -16.880 -8.965 -13.171 1.00 1.00 H new ATOM 0 HD22 LEU A 45 -17.953 -10.385 -13.147 1.00 1.00 H new ATOM 0 HD23 LEU A 45 -18.344 -8.957 -12.159 1.00 1.00 H new ATOM 684 N ASP A 46 -14.910 -11.373 -8.505 1.00 1.00 N ATOM 685 CA ASP A 46 -13.608 -12.037 -8.299 1.00 1.00 C ATOM 686 C ASP A 46 -13.676 -13.025 -7.139 1.00 1.00 C ATOM 687 O ASP A 46 -12.957 -14.021 -7.101 1.00 1.00 O ATOM 688 CB ASP A 46 -12.500 -11.004 -8.032 1.00 1.00 C ATOM 689 CG ASP A 46 -11.138 -11.637 -7.809 1.00 1.00 C ATOM 690 OD1 ASP A 46 -10.487 -12.046 -8.794 1.00 1.00 O ATOM 691 OD2 ASP A 46 -10.687 -11.734 -6.644 1.00 1.00 O ATOM 0 H ASP A 46 -14.876 -10.359 -8.398 1.00 1.00 H new ATOM 0 HA ASP A 46 -13.371 -12.582 -9.213 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -12.441 -10.317 -8.876 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -12.767 -10.412 -7.157 1.00 1.00 H new ATOM 696 N GLN A 47 -14.532 -12.744 -6.201 1.00 1.00 N ATOM 697 CA GLN A 47 -14.678 -13.587 -5.032 1.00 1.00 C ATOM 698 C GLN A 47 -15.618 -14.780 -5.295 1.00 1.00 C ATOM 699 O GLN A 47 -15.426 -15.868 -4.746 1.00 1.00 O ATOM 700 CB GLN A 47 -15.253 -12.777 -3.871 1.00 1.00 C ATOM 701 CG GLN A 47 -14.642 -11.398 -3.678 1.00 1.00 C ATOM 702 CD GLN A 47 -13.342 -11.394 -2.904 1.00 1.00 C ATOM 703 OE1 GLN A 47 -12.585 -12.368 -2.910 1.00 1.00 O ATOM 704 NE2 GLN A 47 -13.085 -10.301 -2.221 1.00 1.00 N ATOM 0 H GLN A 47 -15.149 -11.932 -6.216 1.00 1.00 H new ATOM 0 HA GLN A 47 -13.686 -13.966 -4.788 1.00 1.00 H new ATOM 0 HB2 GLN A 47 -16.326 -12.663 -4.025 1.00 1.00 H new ATOM 0 HB3 GLN A 47 -15.122 -13.347 -2.951 1.00 1.00 H new ATOM 0 HG2 GLN A 47 -14.470 -10.950 -4.657 1.00 1.00 H new ATOM 0 HG3 GLN A 47 -15.362 -10.764 -3.160 1.00 1.00 H new ATOM 0 HE21 GLN A 47 -13.739 -9.519 -2.245 1.00 1.00 H new ATOM 0 HE22 GLN A 47 -12.231 -10.235 -1.667 1.00 1.00 H new ATOM 713 N LEU A 48 -16.623 -14.584 -6.143 1.00 1.00 N ATOM 714 CA LEU A 48 -17.705 -15.548 -6.248 1.00 1.00 C ATOM 715 C LEU A 48 -17.765 -16.200 -7.594 1.00 1.00 C ATOM 716 O LEU A 48 -17.757 -17.419 -7.718 1.00 1.00 O ATOM 717 CB LEU A 48 -19.000 -14.797 -6.040 1.00 1.00 C ATOM 718 CG LEU A 48 -19.025 -13.866 -4.851 1.00 1.00 C ATOM 719 CD1 LEU A 48 -20.243 -13.009 -4.909 1.00 1.00 C ATOM 720 CD2 LEU A 48 -18.959 -14.644 -3.559 1.00 1.00 C ATOM 0 H LEU A 48 -16.708 -13.776 -6.759 1.00 1.00 H new ATOM 0 HA LEU A 48 -17.541 -16.329 -5.505 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -19.213 -14.217 -6.938 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -19.807 -15.522 -5.930 1.00 1.00 H new ATOM 0 HG LEU A 48 -18.147 -13.220 -4.885 1.00 1.00 H new ATOM 0 HD11 LEU A 48 -20.258 -12.339 -4.050 1.00 1.00 H new ATOM 0 HD12 LEU A 48 -20.231 -12.422 -5.827 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -21.132 -13.639 -4.893 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -18.978 -13.953 -2.717 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -19.814 -15.317 -3.496 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -18.037 -15.225 -3.531 1.00 1.00 H new ATOM 964 N LEU A 63 -25.059 -4.465 -18.333 1.00 1.00 N ATOM 965 CA LEU A 63 -26.066 -4.604 -17.309 1.00 1.00 C ATOM 966 C LEU A 63 -26.100 -3.446 -16.331 1.00 1.00 C ATOM 967 O LEU A 63 -25.145 -2.662 -16.239 1.00 1.00 O ATOM 968 CB LEU A 63 -25.991 -5.971 -16.608 1.00 1.00 C ATOM 969 CG LEU A 63 -24.732 -6.348 -15.823 1.00 1.00 C ATOM 970 CD1 LEU A 63 -24.605 -5.560 -14.528 1.00 1.00 C ATOM 971 CD2 LEU A 63 -24.769 -7.819 -15.524 1.00 1.00 C ATOM 0 HA LEU A 63 -27.024 -4.566 -17.827 1.00 1.00 H new ATOM 0 HB2 LEU A 63 -26.835 -6.032 -15.921 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -26.143 -6.737 -17.369 1.00 1.00 H new ATOM 0 HG LEU A 63 -23.864 -6.103 -16.434 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -23.697 -5.862 -14.006 1.00 1.00 H new ATOM 0 HD12 LEU A 63 -24.557 -4.495 -14.754 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -25.470 -5.758 -13.895 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -23.876 -8.099 -14.965 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -25.655 -8.048 -14.932 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -24.802 -8.379 -16.458 1.00 1.00 H new ATOM 983 N ASP A 64 -27.193 -3.339 -15.618 1.00 1.00 N ATOM 984 CA ASP A 64 -27.384 -2.283 -14.660 1.00 1.00 C ATOM 985 C ASP A 64 -27.463 -2.843 -13.271 1.00 1.00 C ATOM 986 O ASP A 64 -27.832 -4.006 -13.075 1.00 1.00 O ATOM 987 CB ASP A 64 -28.634 -1.442 -14.969 1.00 1.00 C ATOM 988 CG ASP A 64 -29.933 -2.244 -15.138 1.00 1.00 C ATOM 989 OD1 ASP A 64 -29.988 -3.155 -15.999 1.00 1.00 O ATOM 990 OD2 ASP A 64 -30.919 -1.947 -14.444 1.00 1.00 O ATOM 0 H ASP A 64 -27.978 -3.986 -15.687 1.00 1.00 H new ATOM 0 HA ASP A 64 -26.520 -1.622 -14.730 1.00 1.00 H new ATOM 0 HB2 ASP A 64 -28.774 -0.718 -14.166 1.00 1.00 H new ATOM 0 HB3 ASP A 64 -28.454 -0.874 -15.882 1.00 1.00 H new ATOM 995 N VAL A 65 -27.098 -2.046 -12.303 1.00 1.00 N ATOM 996 CA VAL A 65 -27.157 -2.480 -10.949 1.00 1.00 C ATOM 997 C VAL A 65 -28.067 -1.576 -10.151 1.00 1.00 C ATOM 998 O VAL A 65 -27.905 -0.348 -10.171 1.00 1.00 O ATOM 999 CB VAL A 65 -25.725 -2.581 -10.276 1.00 1.00 C ATOM 1000 CG1 VAL A 65 -25.001 -1.236 -10.223 1.00 1.00 C ATOM 1001 CG2 VAL A 65 -25.812 -3.185 -8.885 1.00 1.00 C ATOM 0 H VAL A 65 -26.758 -1.094 -12.435 1.00 1.00 H new ATOM 0 HA VAL A 65 -27.568 -3.489 -10.951 1.00 1.00 H new ATOM 0 HB VAL A 65 -25.136 -3.242 -10.912 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -24.026 -1.366 -9.752 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -24.867 -0.855 -11.235 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -25.592 -0.527 -9.643 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -24.814 -3.241 -8.450 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -26.448 -2.561 -8.257 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -26.237 -4.187 -8.949 1.00 1.00 H new ATOM 1011 N GLU A 66 -29.037 -2.147 -9.461 1.00 1.00 N ATOM 1012 CA GLU A 66 -29.824 -1.336 -8.616 1.00 1.00 C ATOM 1013 C GLU A 66 -29.192 -1.361 -7.286 1.00 1.00 C ATOM 1014 O GLU A 66 -29.129 -2.407 -6.601 1.00 1.00 O ATOM 1015 CB GLU A 66 -31.304 -1.729 -8.546 1.00 1.00 C ATOM 1016 CG GLU A 66 -32.108 -0.765 -7.660 1.00 1.00 C ATOM 1017 CD GLU A 66 -33.593 -1.027 -7.633 1.00 1.00 C ATOM 1018 OE1 GLU A 66 -34.035 -1.965 -6.939 1.00 1.00 O ATOM 1019 OE2 GLU A 66 -34.352 -0.263 -8.271 1.00 1.00 O ATOM 0 H GLU A 66 -29.277 -3.138 -9.480 1.00 1.00 H new ATOM 0 HA GLU A 66 -29.849 -0.329 -9.032 1.00 1.00 H new ATOM 0 HB2 GLU A 66 -31.726 -1.737 -9.551 1.00 1.00 H new ATOM 0 HB3 GLU A 66 -31.393 -2.742 -8.155 1.00 1.00 H new ATOM 0 HG2 GLU A 66 -31.724 -0.822 -6.642 1.00 1.00 H new ATOM 0 HG3 GLU A 66 -31.938 0.254 -8.008 1.00 1.00 H new ATOM 1026 N TRP A 67 -28.700 -0.255 -6.935 1.00 1.00 N ATOM 1027 CA TRP A 67 -28.007 -0.102 -5.748 1.00 1.00 C ATOM 1028 C TRP A 67 -28.957 0.311 -4.685 1.00 1.00 C ATOM 1029 O TRP A 67 -29.638 1.322 -4.802 1.00 1.00 O ATOM 1030 CB TRP A 67 -26.924 0.934 -5.914 1.00 1.00 C ATOM 1031 CG TRP A 67 -25.906 0.872 -4.844 1.00 1.00 C ATOM 1032 CD1 TRP A 67 -26.126 1.037 -3.517 1.00 1.00 C ATOM 1033 CD2 TRP A 67 -24.511 0.632 -5.002 1.00 1.00 C ATOM 1034 NE1 TRP A 67 -24.992 0.894 -2.825 1.00 1.00 N ATOM 1035 CE2 TRP A 67 -23.948 0.658 -3.728 1.00 1.00 C ATOM 1036 CE3 TRP A 67 -23.677 0.392 -6.110 1.00 1.00 C ATOM 1037 CZ2 TRP A 67 -22.582 0.454 -3.526 1.00 1.00 C ATOM 1038 CZ3 TRP A 67 -22.332 0.197 -5.903 1.00 1.00 C ATOM 1039 CH2 TRP A 67 -21.796 0.228 -4.622 1.00 1.00 C ATOM 0 H TRP A 67 -28.773 0.598 -7.489 1.00 1.00 H new ATOM 0 HA TRP A 67 -27.540 -1.046 -5.469 1.00 1.00 H new ATOM 0 HB2 TRP A 67 -26.439 0.795 -6.880 1.00 1.00 H new ATOM 0 HB3 TRP A 67 -27.375 1.926 -5.924 1.00 1.00 H new ATOM 0 HD1 TRP A 67 -27.088 1.255 -3.078 1.00 1.00 H new ATOM 0 HE1 TRP A 67 -24.902 0.948 -1.810 1.00 1.00 H new ATOM 0 HE3 TRP A 67 -24.088 0.361 -7.108 1.00 1.00 H new ATOM 0 HZ2 TRP A 67 -22.158 0.474 -2.533 1.00 1.00 H new ATOM 0 HZ3 TRP A 67 -21.683 0.017 -6.748 1.00 1.00 H new ATOM 0 HH2 TRP A 67 -20.736 0.070 -4.489 1.00 1.00 H new ATOM 1050 N ARG A 68 -28.999 -0.464 -3.665 1.00 1.00 N ATOM 1051 CA ARG A 68 -29.842 -0.202 -2.575 1.00 1.00 C ATOM 1052 C ARG A 68 -28.964 0.188 -1.412 1.00 1.00 C ATOM 1053 O ARG A 68 -28.470 -0.630 -0.644 1.00 1.00 O ATOM 1054 CB ARG A 68 -30.690 -1.445 -2.330 1.00 1.00 C ATOM 1055 CG ARG A 68 -31.592 -1.733 -3.528 1.00 1.00 C ATOM 1056 CD ARG A 68 -32.278 -3.065 -3.439 1.00 1.00 C ATOM 1057 NE ARG A 68 -31.333 -4.176 -3.600 1.00 1.00 N ATOM 1058 CZ ARG A 68 -31.482 -5.363 -3.010 1.00 1.00 C ATOM 1059 NH1 ARG A 68 -32.601 -5.627 -2.352 1.00 1.00 N ATOM 1060 NH2 ARG A 68 -30.543 -6.300 -3.110 1.00 1.00 N ATOM 0 H ARG A 68 -28.437 -1.310 -3.569 1.00 1.00 H new ATOM 0 HA ARG A 68 -30.536 0.621 -2.746 1.00 1.00 H new ATOM 0 HB2 ARG A 68 -30.042 -2.301 -2.143 1.00 1.00 H new ATOM 0 HB3 ARG A 68 -31.299 -1.305 -1.437 1.00 1.00 H new ATOM 0 HG2 ARG A 68 -32.344 -0.948 -3.607 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -30.997 -1.697 -4.441 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -32.780 -3.152 -2.475 1.00 1.00 H new ATOM 0 HD3 ARG A 68 -33.049 -3.129 -4.207 1.00 1.00 H new ATOM 0 HE ARG A 68 -30.518 -4.033 -4.196 1.00 1.00 H new ATOM 0 HH11 ARG A 68 -33.340 -4.925 -2.300 1.00 1.00 H new ATOM 0 HH12 ARG A 68 -32.724 -6.532 -1.898 1.00 1.00 H new ATOM 0 HH21 ARG A 68 -29.694 -6.116 -3.644 1.00 1.00 H new ATOM 0 HH22 ARG A 68 -30.672 -7.203 -2.653 1.00 1.00 H new ATOM 1074 N SER A 69 -28.742 1.462 -1.349 1.00 1.00 N ATOM 1075 CA SER A 69 -27.864 2.063 -0.367 1.00 1.00 C ATOM 1076 C SER A 69 -28.569 2.199 0.962 1.00 1.00 C ATOM 1077 O SER A 69 -27.943 2.403 2.002 1.00 1.00 O ATOM 1078 CB SER A 69 -27.419 3.438 -0.872 1.00 1.00 C ATOM 1079 OG SER A 69 -28.546 4.287 -1.105 1.00 1.00 O ATOM 0 H SER A 69 -29.168 2.136 -1.985 1.00 1.00 H new ATOM 0 HA SER A 69 -26.992 1.424 -0.224 1.00 1.00 H new ATOM 0 HB2 SER A 69 -26.755 3.901 -0.141 1.00 1.00 H new ATOM 0 HB3 SER A 69 -26.848 3.324 -1.794 1.00 1.00 H new ATOM 0 HG SER A 69 -28.655 4.429 -2.069 1.00 1.00 H new ATOM 1085 N GLY A 70 -29.863 2.114 0.910 1.00 1.00 N ATOM 1086 CA GLY A 70 -30.683 2.275 2.092 1.00 1.00 C ATOM 1087 C GLY A 70 -30.873 3.737 2.447 1.00 1.00 C ATOM 1088 O GLY A 70 -31.995 4.219 2.520 1.00 1.00 O ATOM 0 H GLY A 70 -30.388 1.932 0.055 1.00 1.00 H new ATOM 0 HA2 GLY A 70 -31.655 1.811 1.926 1.00 1.00 H new ATOM 0 HA3 GLY A 70 -30.220 1.754 2.930 1.00 1.00 H new ATOM 1092 N VAL A 71 -29.762 4.438 2.645 1.00 1.00 N ATOM 1093 CA VAL A 71 -29.771 5.863 2.990 1.00 1.00 C ATOM 1094 C VAL A 71 -30.346 6.736 1.866 1.00 1.00 C ATOM 1095 O VAL A 71 -31.133 7.648 2.119 1.00 1.00 O ATOM 1096 CB VAL A 71 -28.358 6.374 3.415 1.00 1.00 C ATOM 1097 CG1 VAL A 71 -27.895 5.657 4.667 1.00 1.00 C ATOM 1098 CG2 VAL A 71 -27.331 6.185 2.297 1.00 1.00 C ATOM 0 H VAL A 71 -28.827 4.038 2.572 1.00 1.00 H new ATOM 0 HA VAL A 71 -30.434 5.957 3.850 1.00 1.00 H new ATOM 0 HB VAL A 71 -28.441 7.441 3.619 1.00 1.00 H new ATOM 0 HG11 VAL A 71 -26.909 6.023 4.952 1.00 1.00 H new ATOM 0 HG12 VAL A 71 -28.600 5.846 5.476 1.00 1.00 H new ATOM 0 HG13 VAL A 71 -27.843 4.585 4.474 1.00 1.00 H new ATOM 0 HG21 VAL A 71 -26.360 6.552 2.629 1.00 1.00 H new ATOM 0 HG22 VAL A 71 -27.254 5.126 2.049 1.00 1.00 H new ATOM 0 HG23 VAL A 71 -27.647 6.742 1.415 1.00 1.00 H new ATOM 1108 N ALA A 72 -29.961 6.451 0.638 1.00 1.00 N ATOM 1109 CA ALA A 72 -30.458 7.196 -0.500 1.00 1.00 C ATOM 1110 C ALA A 72 -31.552 6.408 -1.181 1.00 1.00 C ATOM 1111 O ALA A 72 -32.249 6.909 -2.049 1.00 1.00 O ATOM 1112 CB ALA A 72 -29.329 7.503 -1.470 1.00 1.00 C ATOM 0 H ALA A 72 -29.304 5.707 0.403 1.00 1.00 H new ATOM 0 HA ALA A 72 -30.869 8.145 -0.155 1.00 1.00 H new ATOM 0 HB1 ALA A 72 -29.721 8.063 -2.319 1.00 1.00 H new ATOM 0 HB2 ALA A 72 -28.566 8.096 -0.965 1.00 1.00 H new ATOM 0 HB3 ALA A 72 -28.889 6.570 -1.823 1.00 1.00 H new ATOM 1118 N GLY A 73 -31.692 5.170 -0.776 1.00 1.00 N ATOM 1119 CA GLY A 73 -32.678 4.322 -1.340 1.00 1.00 C ATOM 1120 C GLY A 73 -32.110 3.462 -2.434 1.00 1.00 C ATOM 1121 O GLY A 73 -30.904 3.118 -2.421 1.00 1.00 O ATOM 0 H GLY A 73 -31.123 4.736 -0.049 1.00 1.00 H new ATOM 0 HA2 GLY A 73 -33.102 3.688 -0.561 1.00 1.00 H new ATOM 0 HA3 GLY A 73 -33.493 4.926 -1.738 1.00 1.00 H new ATOM 1125 N HIS A 74 -32.946 3.138 -3.372 1.00 1.00 N ATOM 1126 CA HIS A 74 -32.590 2.272 -4.490 1.00 1.00 C ATOM 1127 C HIS A 74 -32.423 3.079 -5.768 1.00 1.00 C ATOM 1128 O HIS A 74 -33.375 3.660 -6.286 1.00 1.00 O ATOM 1129 CB HIS A 74 -33.602 1.091 -4.671 1.00 1.00 C ATOM 1130 CG HIS A 74 -35.022 1.470 -5.061 1.00 1.00 C ATOM 1131 ND1 HIS A 74 -35.585 1.158 -6.283 1.00 1.00 N ATOM 1132 CD2 HIS A 74 -35.986 2.109 -4.369 1.00 1.00 C ATOM 1133 CE1 HIS A 74 -36.824 1.601 -6.317 1.00 1.00 C ATOM 1134 NE2 HIS A 74 -37.084 2.180 -5.171 1.00 1.00 N ATOM 0 H HIS A 74 -33.912 3.464 -3.397 1.00 1.00 H new ATOM 0 HA HIS A 74 -31.628 1.816 -4.257 1.00 1.00 H new ATOM 0 HB2 HIS A 74 -33.208 0.417 -5.431 1.00 1.00 H new ATOM 0 HB3 HIS A 74 -33.643 0.530 -3.737 1.00 1.00 H new ATOM 0 HD1 HIS A 74 -35.115 0.662 -7.040 1.00 1.00 H new ATOM 0 HD2 HIS A 74 -35.903 2.494 -3.363 1.00 1.00 H new ATOM 0 HE1 HIS A 74 -37.508 1.504 -7.147 1.00 1.00 H new ATOM 1143 N LEU A 75 -31.214 3.113 -6.252 1.00 1.00 N ATOM 1144 CA LEU A 75 -30.858 3.884 -7.424 1.00 1.00 C ATOM 1145 C LEU A 75 -30.210 2.978 -8.439 1.00 1.00 C ATOM 1146 O LEU A 75 -29.527 2.032 -8.068 1.00 1.00 O ATOM 1147 CB LEU A 75 -29.855 4.992 -7.055 1.00 1.00 C ATOM 1148 CG LEU A 75 -30.369 6.209 -6.271 1.00 1.00 C ATOM 1149 CD1 LEU A 75 -31.701 6.702 -6.814 1.00 1.00 C ATOM 1150 CD2 LEU A 75 -30.450 5.907 -4.782 1.00 1.00 C ATOM 0 H LEU A 75 -30.432 2.601 -5.843 1.00 1.00 H new ATOM 0 HA LEU A 75 -31.764 4.333 -7.832 1.00 1.00 H new ATOM 0 HB2 LEU A 75 -29.055 4.535 -6.473 1.00 1.00 H new ATOM 0 HB3 LEU A 75 -29.408 5.357 -7.980 1.00 1.00 H new ATOM 0 HG LEU A 75 -29.649 7.016 -6.406 1.00 1.00 H new ATOM 0 HD11 LEU A 75 -32.034 7.564 -6.235 1.00 1.00 H new ATOM 0 HD12 LEU A 75 -31.584 6.990 -7.859 1.00 1.00 H new ATOM 0 HD13 LEU A 75 -32.442 5.906 -6.738 1.00 1.00 H new ATOM 0 HD21 LEU A 75 -30.817 6.786 -4.252 1.00 1.00 H new ATOM 0 HD22 LEU A 75 -31.132 5.073 -4.617 1.00 1.00 H new ATOM 0 HD23 LEU A 75 -29.460 5.646 -4.409 1.00 1.00 H new ATOM 1162 N ILE A 76 -30.413 3.243 -9.693 1.00 1.00 N ATOM 1163 CA ILE A 76 -29.754 2.469 -10.714 1.00 1.00 C ATOM 1164 C ILE A 76 -28.387 3.069 -10.971 1.00 1.00 C ATOM 1165 O ILE A 76 -28.271 4.215 -11.428 1.00 1.00 O ATOM 1166 CB ILE A 76 -30.542 2.463 -12.041 1.00 1.00 C ATOM 1167 CG1 ILE A 76 -32.014 2.100 -11.804 1.00 1.00 C ATOM 1168 CG2 ILE A 76 -29.902 1.492 -13.027 1.00 1.00 C ATOM 1169 CD1 ILE A 76 -32.211 0.806 -11.062 1.00 1.00 C ATOM 0 H ILE A 76 -31.024 3.983 -10.038 1.00 1.00 H new ATOM 0 HA ILE A 76 -29.681 1.441 -10.359 1.00 1.00 H new ATOM 0 HB ILE A 76 -30.509 3.467 -12.465 1.00 1.00 H new ATOM 0 HG12 ILE A 76 -32.491 2.905 -11.244 1.00 1.00 H new ATOM 0 HG13 ILE A 76 -32.522 2.037 -12.766 1.00 1.00 H new ATOM 0 HG21 ILE A 76 -30.466 1.496 -13.960 1.00 1.00 H new ATOM 0 HG22 ILE A 76 -28.874 1.797 -13.223 1.00 1.00 H new ATOM 0 HG23 ILE A 76 -29.907 0.487 -12.604 1.00 1.00 H new ATOM 0 HD11 ILE A 76 -33.277 0.619 -10.934 1.00 1.00 H new ATOM 0 HD12 ILE A 76 -31.765 -0.011 -11.630 1.00 1.00 H new ATOM 0 HD13 ILE A 76 -31.734 0.871 -10.084 1.00 1.00 H new ATOM 1181 N LEU A 77 -27.364 2.320 -10.677 1.00 1.00 N ATOM 1182 CA LEU A 77 -26.034 2.791 -10.856 1.00 1.00 C ATOM 1183 C LEU A 77 -25.375 2.158 -12.046 1.00 1.00 C ATOM 1184 O LEU A 77 -25.594 0.990 -12.366 1.00 1.00 O ATOM 1185 CB LEU A 77 -25.187 2.592 -9.604 1.00 1.00 C ATOM 1186 CG LEU A 77 -25.250 3.693 -8.530 1.00 1.00 C ATOM 1187 CD1 LEU A 77 -26.653 3.884 -8.015 1.00 1.00 C ATOM 1188 CD2 LEU A 77 -24.355 3.321 -7.400 1.00 1.00 C ATOM 0 H LEU A 77 -27.434 1.371 -10.309 1.00 1.00 H new ATOM 0 HA LEU A 77 -26.106 3.862 -11.043 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -25.484 1.651 -9.141 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -24.148 2.481 -9.913 1.00 1.00 H new ATOM 0 HG LEU A 77 -24.927 4.631 -8.981 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -26.659 4.669 -7.259 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -27.307 4.169 -8.839 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -27.009 2.953 -7.574 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -24.394 4.096 -6.635 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -24.683 2.373 -6.973 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -23.332 3.221 -7.764 1.00 1.00 H new ATOM 1200 N SER A 78 -24.604 2.939 -12.701 1.00 1.00 N ATOM 1201 CA SER A 78 -23.839 2.564 -13.852 1.00 1.00 C ATOM 1202 C SER A 78 -22.753 3.575 -13.914 1.00 1.00 C ATOM 1203 O SER A 78 -22.983 4.722 -13.524 1.00 1.00 O ATOM 1204 CB SER A 78 -24.675 2.680 -15.119 1.00 1.00 C ATOM 1205 OG SER A 78 -25.951 2.055 -14.980 1.00 1.00 O ATOM 0 H SER A 78 -24.474 3.917 -12.442 1.00 1.00 H new ATOM 0 HA SER A 78 -23.484 1.536 -13.781 1.00 1.00 H new ATOM 0 HB2 SER A 78 -24.813 3.732 -15.367 1.00 1.00 H new ATOM 0 HB3 SER A 78 -24.137 2.224 -15.950 1.00 1.00 H new ATOM 0 HG SER A 78 -26.456 2.153 -15.814 1.00 1.00 H new ATOM 1211 N ASP A 79 -21.593 3.212 -14.346 1.00 1.00 N ATOM 1212 CA ASP A 79 -20.544 4.184 -14.422 1.00 1.00 C ATOM 1213 C ASP A 79 -20.779 5.144 -15.558 1.00 1.00 C ATOM 1214 O ASP A 79 -20.534 6.336 -15.422 1.00 1.00 O ATOM 1215 CB ASP A 79 -19.148 3.571 -14.421 1.00 1.00 C ATOM 1216 CG ASP A 79 -18.965 2.458 -15.406 1.00 1.00 C ATOM 1217 OD1 ASP A 79 -19.535 1.374 -15.182 1.00 1.00 O ATOM 1218 OD2 ASP A 79 -18.233 2.638 -16.390 1.00 1.00 O ATOM 0 H ASP A 79 -21.345 2.270 -14.648 1.00 1.00 H new ATOM 0 HA ASP A 79 -20.580 4.766 -13.501 1.00 1.00 H new ATOM 0 HB2 ASP A 79 -18.420 4.353 -14.635 1.00 1.00 H new ATOM 0 HB3 ASP A 79 -18.929 3.196 -13.421 1.00 1.00 H new ATOM 1223 N GLU A 80 -21.314 4.643 -16.642 1.00 1.00 N ATOM 1224 CA GLU A 80 -21.646 5.477 -17.758 1.00 1.00 C ATOM 1225 C GLU A 80 -23.166 5.603 -17.891 1.00 1.00 C ATOM 1226 O GLU A 80 -23.811 4.769 -18.517 1.00 1.00 O ATOM 1227 CB GLU A 80 -21.046 4.931 -19.058 1.00 1.00 C ATOM 1228 CG GLU A 80 -19.529 4.919 -19.087 1.00 1.00 C ATOM 1229 CD GLU A 80 -18.983 4.451 -20.414 1.00 1.00 C ATOM 1230 OE1 GLU A 80 -18.836 3.223 -20.617 1.00 1.00 O ATOM 1231 OE2 GLU A 80 -18.687 5.300 -21.279 1.00 1.00 O ATOM 0 H GLU A 80 -21.528 3.654 -16.771 1.00 1.00 H new ATOM 0 HA GLU A 80 -21.220 6.464 -17.578 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -21.409 3.915 -19.214 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -21.409 5.531 -19.892 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -19.156 5.922 -18.877 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -19.158 4.269 -18.295 1.00 1.00 H new ATOM 1433 N LEU A 93 -17.165 8.925 -14.203 1.00 1.00 N ATOM 1434 CA LEU A 93 -17.612 7.578 -13.860 1.00 1.00 C ATOM 1435 C LEU A 93 -18.299 7.622 -12.511 1.00 1.00 C ATOM 1436 O LEU A 93 -18.032 8.535 -11.715 1.00 1.00 O ATOM 1437 CB LEU A 93 -16.406 6.641 -13.779 1.00 1.00 C ATOM 1438 CG LEU A 93 -15.663 6.387 -15.088 1.00 1.00 C ATOM 1439 CD1 LEU A 93 -14.335 5.719 -14.815 1.00 1.00 C ATOM 1440 CD2 LEU A 93 -16.497 5.519 -16.002 1.00 1.00 C ATOM 0 HA LEU A 93 -18.301 7.214 -14.622 1.00 1.00 H new ATOM 0 HB2 LEU A 93 -15.700 7.053 -13.058 1.00 1.00 H new ATOM 0 HB3 LEU A 93 -16.742 5.682 -13.384 1.00 1.00 H new ATOM 0 HG LEU A 93 -15.483 7.345 -15.576 1.00 1.00 H new ATOM 0 HD11 LEU A 93 -13.815 5.544 -15.757 1.00 1.00 H new ATOM 0 HD12 LEU A 93 -13.727 6.364 -14.180 1.00 1.00 H new ATOM 0 HD13 LEU A 93 -14.503 4.767 -14.311 1.00 1.00 H new ATOM 0 HD21 LEU A 93 -15.956 5.345 -16.932 1.00 1.00 H new ATOM 0 HD22 LEU A 93 -16.697 4.565 -15.515 1.00 1.00 H new ATOM 0 HD23 LEU A 93 -17.440 6.020 -16.219 1.00 1.00 H new ATOM 1452 N ASN A 94 -19.182 6.671 -12.228 1.00 1.00 N ATOM 1453 CA ASN A 94 -19.847 6.685 -10.946 1.00 1.00 C ATOM 1454 C ASN A 94 -19.125 5.820 -9.967 1.00 1.00 C ATOM 1455 O ASN A 94 -18.688 4.716 -10.305 1.00 1.00 O ATOM 1456 CB ASN A 94 -21.335 6.294 -11.029 1.00 1.00 C ATOM 1457 CG ASN A 94 -22.206 7.416 -11.549 1.00 1.00 C ATOM 1458 OD1 ASN A 94 -22.485 8.364 -10.844 1.00 1.00 O ATOM 1459 ND2 ASN A 94 -22.668 7.301 -12.768 1.00 1.00 N ATOM 0 H ASN A 94 -19.443 5.907 -12.851 1.00 1.00 H new ATOM 0 HA ASN A 94 -19.821 7.717 -10.596 1.00 1.00 H new ATOM 0 HB2 ASN A 94 -21.442 5.425 -11.679 1.00 1.00 H new ATOM 0 HB3 ASN A 94 -21.684 5.997 -10.040 1.00 1.00 H new ATOM 0 HD21 ASN A 94 -23.281 8.020 -13.151 1.00 1.00 H new ATOM 0 HD22 ASN A 94 -22.415 6.492 -13.335 1.00 1.00 H new ATOM 1466 N THR A 95 -18.979 6.340 -8.790 1.00 1.00 N ATOM 1467 CA THR A 95 -18.356 5.701 -7.687 1.00 1.00 C ATOM 1468 C THR A 95 -19.414 5.362 -6.683 1.00 1.00 C ATOM 1469 O THR A 95 -20.584 5.797 -6.832 1.00 1.00 O ATOM 1470 CB THR A 95 -17.467 6.722 -7.014 1.00 1.00 C ATOM 1471 OG1 THR A 95 -18.117 8.006 -7.083 1.00 1.00 O ATOM 1472 CG2 THR A 95 -16.130 6.804 -7.647 1.00 1.00 C ATOM 0 H THR A 95 -19.313 7.277 -8.566 1.00 1.00 H new ATOM 0 HA THR A 95 -17.809 4.819 -8.019 1.00 1.00 H new ATOM 0 HB THR A 95 -17.313 6.417 -5.979 1.00 1.00 H new ATOM 0 HG1 THR A 95 -17.463 8.691 -7.335 1.00 1.00 H new ATOM 0 HG21 THR A 95 -15.528 7.550 -7.129 1.00 1.00 H new ATOM 0 HG22 THR A 95 -15.638 5.833 -7.585 1.00 1.00 H new ATOM 0 HG23 THR A 95 -16.240 7.089 -8.693 1.00 1.00 H new ATOM 1480 N LEU A 96 -19.051 4.635 -5.658 1.00 1.00 N ATOM 1481 CA LEU A 96 -19.986 4.437 -4.581 1.00 1.00 C ATOM 1482 C LEU A 96 -20.106 5.741 -3.819 1.00 1.00 C ATOM 1483 O LEU A 96 -21.153 6.055 -3.254 1.00 1.00 O ATOM 1484 CB LEU A 96 -19.649 3.227 -3.666 1.00 1.00 C ATOM 1485 CG LEU A 96 -18.471 3.337 -2.679 1.00 1.00 C ATOM 1486 CD1 LEU A 96 -18.851 4.103 -1.408 1.00 1.00 C ATOM 1487 CD2 LEU A 96 -17.999 1.956 -2.317 1.00 1.00 C ATOM 0 H LEU A 96 -18.144 4.183 -5.546 1.00 1.00 H new ATOM 0 HA LEU A 96 -20.954 4.167 -5.004 1.00 1.00 H new ATOM 0 HB2 LEU A 96 -20.542 2.995 -3.086 1.00 1.00 H new ATOM 0 HB3 LEU A 96 -19.457 2.370 -4.312 1.00 1.00 H new ATOM 0 HG LEU A 96 -17.674 3.896 -3.169 1.00 1.00 H new ATOM 0 HD11 LEU A 96 -17.989 4.155 -0.743 1.00 1.00 H new ATOM 0 HD12 LEU A 96 -19.167 5.112 -1.672 1.00 1.00 H new ATOM 0 HD13 LEU A 96 -19.668 3.588 -0.903 1.00 1.00 H new ATOM 0 HD21 LEU A 96 -17.165 2.028 -1.619 1.00 1.00 H new ATOM 0 HD22 LEU A 96 -18.815 1.403 -1.852 1.00 1.00 H new ATOM 0 HD23 LEU A 96 -17.674 1.435 -3.218 1.00 1.00 H new ATOM 1499 N GLN A 97 -19.007 6.524 -3.838 1.00 1.00 N ATOM 1500 CA GLN A 97 -18.952 7.824 -3.202 1.00 1.00 C ATOM 1501 C GLN A 97 -19.909 8.815 -3.846 1.00 1.00 C ATOM 1502 O GLN A 97 -20.321 9.772 -3.210 1.00 1.00 O ATOM 1503 CB GLN A 97 -17.536 8.366 -3.207 1.00 1.00 C ATOM 1504 CG GLN A 97 -17.139 9.193 -4.419 1.00 1.00 C ATOM 1505 CD GLN A 97 -15.653 9.242 -4.585 1.00 1.00 C ATOM 1506 OE1 GLN A 97 -15.053 8.106 -4.451 1.00 1.00 O flip ATOM 1507 NE2 GLN A 97 -15.061 10.285 -4.891 1.00 1.00 N flip ATOM 0 H GLN A 97 -18.138 6.256 -4.301 1.00 1.00 H new ATOM 0 HA GLN A 97 -19.270 7.691 -2.168 1.00 1.00 H new ATOM 0 HB2 GLN A 97 -17.400 8.978 -2.315 1.00 1.00 H new ATOM 0 HB3 GLN A 97 -16.847 7.525 -3.125 1.00 1.00 H new ATOM 0 HG2 GLN A 97 -17.593 8.769 -5.315 1.00 1.00 H new ATOM 0 HG3 GLN A 97 -17.528 10.206 -4.313 1.00 1.00 H new ATOM 0 HE21 GLN A 97 -15.581 11.158 -4.985 1.00 1.00 H new ATOM 0 HE22 GLN A 97 -14.053 10.272 -5.050 1.00 1.00 H new ATOM 1516 N HIS A 98 -20.242 8.590 -5.109 1.00 1.00 N ATOM 1517 CA HIS A 98 -21.146 9.474 -5.838 1.00 1.00 C ATOM 1518 C HIS A 98 -22.491 9.521 -5.122 1.00 1.00 C ATOM 1519 O HIS A 98 -23.102 10.572 -5.000 1.00 1.00 O ATOM 1520 CB HIS A 98 -21.326 8.997 -7.290 1.00 1.00 C ATOM 1521 CG HIS A 98 -21.994 9.998 -8.201 1.00 1.00 C ATOM 1522 ND1 HIS A 98 -21.291 10.838 -9.029 1.00 1.00 N ATOM 1523 CD2 HIS A 98 -23.305 10.283 -8.414 1.00 1.00 C ATOM 1524 CE1 HIS A 98 -22.129 11.592 -9.707 1.00 1.00 C ATOM 1525 NE2 HIS A 98 -23.353 11.269 -9.355 1.00 1.00 N ATOM 0 H HIS A 98 -19.899 7.799 -5.654 1.00 1.00 H new ATOM 0 HA HIS A 98 -20.716 10.475 -5.867 1.00 1.00 H new ATOM 0 HB2 HIS A 98 -20.348 8.748 -7.701 1.00 1.00 H new ATOM 0 HB3 HIS A 98 -21.914 8.079 -7.287 1.00 1.00 H new ATOM 0 HD2 HIS A 98 -24.150 9.817 -7.929 1.00 1.00 H new ATOM 0 HE1 HIS A 98 -21.857 12.347 -10.429 1.00 1.00 H new ATOM 0 HE2 HIS A 98 -24.205 11.689 -9.727 1.00 1.00 H new ATOM 1534 N TYR A 99 -22.947 8.378 -4.665 1.00 1.00 N ATOM 1535 CA TYR A 99 -24.178 8.311 -3.897 1.00 1.00 C ATOM 1536 C TYR A 99 -23.899 8.171 -2.395 1.00 1.00 C ATOM 1537 O TYR A 99 -24.829 8.187 -1.596 1.00 1.00 O ATOM 1538 CB TYR A 99 -25.061 7.159 -4.392 1.00 1.00 C ATOM 1539 CG TYR A 99 -25.640 7.383 -5.776 1.00 1.00 C ATOM 1540 CD1 TYR A 99 -24.915 7.072 -6.927 1.00 1.00 C ATOM 1541 CD2 TYR A 99 -26.918 7.901 -5.932 1.00 1.00 C ATOM 1542 CE1 TYR A 99 -25.454 7.278 -8.185 1.00 1.00 C ATOM 1543 CE2 TYR A 99 -27.460 8.108 -7.187 1.00 1.00 C ATOM 1544 CZ TYR A 99 -26.721 7.800 -8.308 1.00 1.00 C ATOM 1545 OH TYR A 99 -27.264 7.999 -9.562 1.00 1.00 O ATOM 0 H TYR A 99 -22.487 7.479 -4.809 1.00 1.00 H new ATOM 0 HA TYR A 99 -24.712 9.249 -4.047 1.00 1.00 H new ATOM 0 HB2 TYR A 99 -24.474 6.240 -4.398 1.00 1.00 H new ATOM 0 HB3 TYR A 99 -25.878 7.011 -3.686 1.00 1.00 H new ATOM 0 HD1 TYR A 99 -23.919 6.665 -6.835 1.00 1.00 H new ATOM 0 HD2 TYR A 99 -27.500 8.147 -5.056 1.00 1.00 H new ATOM 0 HE1 TYR A 99 -24.882 7.030 -9.067 1.00 1.00 H new ATOM 0 HE2 TYR A 99 -28.458 8.509 -7.288 1.00 1.00 H new ATOM 0 HH TYR A 99 -28.165 8.373 -9.473 1.00 1.00 H new ATOM 1555 N LYS A 100 -22.608 8.061 -2.038 1.00 1.00 N ATOM 1556 CA LYS A 100 -22.143 7.867 -0.647 1.00 1.00 C ATOM 1557 C LYS A 100 -22.920 6.806 0.086 1.00 1.00 C ATOM 1558 O LYS A 100 -23.701 7.093 0.997 1.00 1.00 O ATOM 1559 CB LYS A 100 -22.035 9.173 0.171 1.00 1.00 C ATOM 1560 CG LYS A 100 -20.802 10.015 -0.144 1.00 1.00 C ATOM 1561 CD LYS A 100 -19.511 9.281 0.247 1.00 1.00 C ATOM 1562 CE LYS A 100 -18.273 10.114 -0.049 1.00 1.00 C ATOM 1563 NZ LYS A 100 -17.021 9.392 0.281 1.00 1.00 N ATOM 0 H LYS A 100 -21.845 8.104 -2.714 1.00 1.00 H new ATOM 0 HA LYS A 100 -21.121 7.502 -0.749 1.00 1.00 H new ATOM 0 HB2 LYS A 100 -22.926 9.774 -0.009 1.00 1.00 H new ATOM 0 HB3 LYS A 100 -22.028 8.923 1.232 1.00 1.00 H new ATOM 0 HG2 LYS A 100 -20.781 10.250 -1.208 1.00 1.00 H new ATOM 0 HG3 LYS A 100 -20.860 10.963 0.391 1.00 1.00 H new ATOM 0 HD2 LYS A 100 -19.539 9.037 1.309 1.00 1.00 H new ATOM 0 HD3 LYS A 100 -19.452 8.337 -0.295 1.00 1.00 H new ATOM 0 HE2 LYS A 100 -18.265 10.388 -1.104 1.00 1.00 H new ATOM 0 HE3 LYS A 100 -18.317 11.042 0.521 1.00 1.00 H new ATOM 0 HZ1 LYS A 100 -16.244 9.758 -0.305 1.00 1.00 H new ATOM 0 HZ2 LYS A 100 -16.793 9.534 1.286 1.00 1.00 H new ATOM 0 HZ3 LYS A 100 -17.146 8.377 0.094 1.00 1.00 H new ATOM 1577 N VAL A 101 -22.734 5.587 -0.341 1.00 1.00 N ATOM 1578 CA VAL A 101 -23.407 4.477 0.283 1.00 1.00 C ATOM 1579 C VAL A 101 -22.729 4.078 1.600 1.00 1.00 C ATOM 1580 O VAL A 101 -21.513 4.245 1.756 1.00 1.00 O ATOM 1581 CB VAL A 101 -23.537 3.247 -0.660 1.00 1.00 C ATOM 1582 CG1 VAL A 101 -23.825 3.681 -2.081 1.00 1.00 C ATOM 1583 CG2 VAL A 101 -22.324 2.330 -0.598 1.00 1.00 C ATOM 0 H VAL A 101 -22.123 5.335 -1.118 1.00 1.00 H new ATOM 0 HA VAL A 101 -24.418 4.820 0.505 1.00 1.00 H new ATOM 0 HB VAL A 101 -24.385 2.663 -0.301 1.00 1.00 H new ATOM 0 HG11 VAL A 101 -23.911 2.802 -2.720 1.00 1.00 H new ATOM 0 HG12 VAL A 101 -24.759 4.242 -2.108 1.00 1.00 H new ATOM 0 HG13 VAL A 101 -23.012 4.312 -2.440 1.00 1.00 H new ATOM 0 HG21 VAL A 101 -22.469 1.489 -1.276 1.00 1.00 H new ATOM 0 HG22 VAL A 101 -21.433 2.885 -0.893 1.00 1.00 H new ATOM 0 HG23 VAL A 101 -22.200 1.959 0.419 1.00 1.00 H new ATOM 1593 N PRO A 102 -23.498 3.571 2.565 1.00 1.00 N ATOM 1594 CA PRO A 102 -22.976 3.145 3.855 1.00 1.00 C ATOM 1595 C PRO A 102 -22.269 1.805 3.765 1.00 1.00 C ATOM 1596 O PRO A 102 -22.459 1.052 2.791 1.00 1.00 O ATOM 1597 CB PRO A 102 -24.229 3.020 4.713 1.00 1.00 C ATOM 1598 CG PRO A 102 -25.282 2.632 3.749 1.00 1.00 C ATOM 1599 CD PRO A 102 -24.952 3.351 2.468 1.00 1.00 C ATOM 0 HA PRO A 102 -22.236 3.841 4.251 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -24.106 2.269 5.494 1.00 1.00 H new ATOM 0 HB3 PRO A 102 -24.469 3.960 5.210 1.00 1.00 H new ATOM 0 HG2 PRO A 102 -25.296 1.552 3.599 1.00 1.00 H new ATOM 0 HG3 PRO A 102 -26.269 2.916 4.113 1.00 1.00 H new ATOM 0 HD2 PRO A 102 -25.211 2.754 1.594 1.00 1.00 H new ATOM 0 HD3 PRO A 102 -25.496 4.292 2.384 1.00 1.00 H new ATOM 1607 N ASP A 103 -21.440 1.520 4.742 1.00 1.00 N ATOM 1608 CA ASP A 103 -20.794 0.235 4.805 1.00 1.00 C ATOM 1609 C ASP A 103 -21.827 -0.824 5.049 1.00 1.00 C ATOM 1610 O ASP A 103 -22.528 -0.806 6.052 1.00 1.00 O ATOM 1611 CB ASP A 103 -19.671 0.180 5.861 1.00 1.00 C ATOM 1612 CG ASP A 103 -20.095 0.645 7.230 1.00 1.00 C ATOM 1613 OD1 ASP A 103 -20.152 1.874 7.456 1.00 1.00 O ATOM 1614 OD2 ASP A 103 -20.368 -0.201 8.102 1.00 1.00 O ATOM 0 H ASP A 103 -21.199 2.159 5.500 1.00 1.00 H new ATOM 0 HA ASP A 103 -20.306 0.055 3.847 1.00 1.00 H new ATOM 0 HB2 ASP A 103 -19.304 -0.844 5.934 1.00 1.00 H new ATOM 0 HB3 ASP A 103 -18.837 0.794 5.522 1.00 1.00 H new ATOM 1619 N GLY A 104 -21.942 -1.707 4.119 1.00 1.00 N ATOM 1620 CA GLY A 104 -22.933 -2.734 4.217 1.00 1.00 C ATOM 1621 C GLY A 104 -24.100 -2.459 3.312 1.00 1.00 C ATOM 1622 O GLY A 104 -25.205 -2.951 3.538 1.00 1.00 O ATOM 0 H GLY A 104 -21.364 -1.743 3.279 1.00 1.00 H new ATOM 0 HA2 GLY A 104 -22.489 -3.695 3.959 1.00 1.00 H new ATOM 0 HA3 GLY A 104 -23.280 -2.810 5.248 1.00 1.00 H new ATOM 1626 N ALA A 105 -23.872 -1.650 2.286 1.00 1.00 N ATOM 1627 CA ALA A 105 -24.912 -1.375 1.319 1.00 1.00 C ATOM 1628 C ALA A 105 -25.194 -2.628 0.501 1.00 1.00 C ATOM 1629 O ALA A 105 -24.337 -3.519 0.382 1.00 1.00 O ATOM 1630 CB ALA A 105 -24.528 -0.224 0.427 1.00 1.00 C ATOM 0 H ALA A 105 -22.985 -1.180 2.108 1.00 1.00 H new ATOM 0 HA ALA A 105 -25.820 -1.089 1.850 1.00 1.00 H new ATOM 0 HB1 ALA A 105 -25.327 -0.038 -0.291 1.00 1.00 H new ATOM 0 HB2 ALA A 105 -24.369 0.668 1.033 1.00 1.00 H new ATOM 0 HB3 ALA A 105 -23.610 -0.468 -0.107 1.00 1.00 H new ATOM 1636 N THR A 106 -26.358 -2.711 -0.061 1.00 1.00 N ATOM 1637 CA THR A 106 -26.749 -3.904 -0.750 1.00 1.00 C ATOM 1638 C THR A 106 -27.062 -3.605 -2.204 1.00 1.00 C ATOM 1639 O THR A 106 -27.784 -2.680 -2.514 1.00 1.00 O ATOM 1640 CB THR A 106 -27.959 -4.562 -0.047 1.00 1.00 C ATOM 1641 OG1 THR A 106 -27.633 -4.779 1.334 1.00 1.00 O ATOM 1642 CG2 THR A 106 -28.297 -5.904 -0.683 1.00 1.00 C ATOM 0 H THR A 106 -27.056 -1.967 -0.058 1.00 1.00 H new ATOM 0 HA THR A 106 -25.917 -4.607 -0.724 1.00 1.00 H new ATOM 0 HB THR A 106 -28.819 -3.900 -0.145 1.00 1.00 H new ATOM 0 HG1 THR A 106 -28.395 -5.195 1.789 1.00 1.00 H new ATOM 0 HG21 THR A 106 -29.151 -6.345 -0.170 1.00 1.00 H new ATOM 0 HG22 THR A 106 -28.542 -5.757 -1.735 1.00 1.00 H new ATOM 0 HG23 THR A 106 -27.440 -6.572 -0.600 1.00 1.00 H new ATOM 1650 N VAL A 107 -26.503 -4.363 -3.091 1.00 1.00 N ATOM 1651 CA VAL A 107 -26.752 -4.127 -4.491 1.00 1.00 C ATOM 1652 C VAL A 107 -27.511 -5.260 -5.100 1.00 1.00 C ATOM 1653 O VAL A 107 -27.689 -6.307 -4.477 1.00 1.00 O ATOM 1654 CB VAL A 107 -25.454 -3.905 -5.295 1.00 1.00 C ATOM 1655 CG1 VAL A 107 -24.715 -2.704 -4.774 1.00 1.00 C ATOM 1656 CG2 VAL A 107 -24.563 -5.145 -5.269 1.00 1.00 C ATOM 0 H VAL A 107 -25.878 -5.142 -2.884 1.00 1.00 H new ATOM 0 HA VAL A 107 -27.345 -3.214 -4.541 1.00 1.00 H new ATOM 0 HB VAL A 107 -25.728 -3.721 -6.334 1.00 1.00 H new ATOM 0 HG11 VAL A 107 -23.802 -2.560 -5.351 1.00 1.00 H new ATOM 0 HG12 VAL A 107 -25.346 -1.820 -4.867 1.00 1.00 H new ATOM 0 HG13 VAL A 107 -24.461 -2.860 -3.726 1.00 1.00 H new ATOM 0 HG21 VAL A 107 -23.657 -4.954 -5.845 1.00 1.00 H new ATOM 0 HG22 VAL A 107 -24.295 -5.379 -4.239 1.00 1.00 H new ATOM 0 HG23 VAL A 107 -25.099 -5.988 -5.705 1.00 1.00 H new ATOM 1666 N ALA A 108 -28.027 -5.019 -6.263 1.00 1.00 N ATOM 1667 CA ALA A 108 -28.647 -6.026 -7.046 1.00 1.00 C ATOM 1668 C ALA A 108 -28.441 -5.714 -8.486 1.00 1.00 C ATOM 1669 O ALA A 108 -28.863 -4.695 -8.960 1.00 1.00 O ATOM 1670 CB ALA A 108 -30.091 -6.105 -6.771 1.00 1.00 C ATOM 0 H ALA A 108 -28.026 -4.097 -6.699 1.00 1.00 H new ATOM 0 HA ALA A 108 -28.198 -6.986 -6.792 1.00 1.00 H new ATOM 0 HB1 ALA A 108 -30.536 -6.886 -7.387 1.00 1.00 H new ATOM 0 HB2 ALA A 108 -30.249 -6.339 -5.718 1.00 1.00 H new ATOM 0 HB3 ALA A 108 -30.559 -5.148 -7.004 1.00 1.00 H new ATOM 1676 N LEU A 109 -27.835 -6.584 -9.167 1.00 1.00 N ATOM 1677 CA LEU A 109 -27.519 -6.349 -10.571 1.00 1.00 C ATOM 1678 C LEU A 109 -28.412 -7.155 -11.467 1.00 1.00 C ATOM 1679 O LEU A 109 -28.701 -8.316 -11.181 1.00 1.00 O ATOM 1680 CB LEU A 109 -26.016 -6.541 -10.910 1.00 1.00 C ATOM 1681 CG LEU A 109 -25.376 -7.901 -10.599 1.00 1.00 C ATOM 1682 CD1 LEU A 109 -24.286 -8.207 -11.613 1.00 1.00 C ATOM 1683 CD2 LEU A 109 -24.783 -7.901 -9.201 1.00 1.00 C ATOM 0 H LEU A 109 -27.529 -7.487 -8.805 1.00 1.00 H new ATOM 0 HA LEU A 109 -27.719 -5.294 -10.760 1.00 1.00 H new ATOM 0 HB2 LEU A 109 -25.886 -6.346 -11.975 1.00 1.00 H new ATOM 0 HB3 LEU A 109 -25.453 -5.776 -10.375 1.00 1.00 H new ATOM 0 HG LEU A 109 -26.149 -8.667 -10.656 1.00 1.00 H new ATOM 0 HD11 LEU A 109 -23.837 -9.174 -11.384 1.00 1.00 H new ATOM 0 HD12 LEU A 109 -24.717 -8.234 -12.614 1.00 1.00 H new ATOM 0 HD13 LEU A 109 -23.520 -7.432 -11.569 1.00 1.00 H new ATOM 0 HD21 LEU A 109 -24.333 -8.873 -8.997 1.00 1.00 H new ATOM 0 HD22 LEU A 109 -24.020 -7.126 -9.129 1.00 1.00 H new ATOM 0 HD23 LEU A 109 -25.569 -7.705 -8.472 1.00 1.00 H new ATOM 1695 N VAL A 110 -28.869 -6.537 -12.519 1.00 1.00 N ATOM 1696 CA VAL A 110 -29.807 -7.145 -13.434 1.00 1.00 C ATOM 1697 C VAL A 110 -29.259 -7.051 -14.864 1.00 1.00 C ATOM 1698 O VAL A 110 -28.541 -6.113 -15.179 1.00 1.00 O ATOM 1699 CB VAL A 110 -31.212 -6.461 -13.333 1.00 1.00 C ATOM 1700 CG1 VAL A 110 -31.803 -6.657 -11.964 1.00 1.00 C ATOM 1701 CG2 VAL A 110 -31.124 -4.992 -13.621 1.00 1.00 C ATOM 0 H VAL A 110 -28.601 -5.586 -12.773 1.00 1.00 H new ATOM 0 HA VAL A 110 -29.932 -8.194 -13.167 1.00 1.00 H new ATOM 0 HB VAL A 110 -31.854 -6.931 -14.078 1.00 1.00 H new ATOM 0 HG11 VAL A 110 -32.779 -6.174 -11.916 1.00 1.00 H new ATOM 0 HG12 VAL A 110 -31.916 -7.723 -11.766 1.00 1.00 H new ATOM 0 HG13 VAL A 110 -31.143 -6.217 -11.216 1.00 1.00 H new ATOM 0 HG21 VAL A 110 -32.115 -4.546 -13.543 1.00 1.00 H new ATOM 0 HG22 VAL A 110 -30.456 -4.519 -12.901 1.00 1.00 H new ATOM 0 HG23 VAL A 110 -30.737 -4.841 -14.629 1.00 1.00 H new ATOM 1711 N PRO A 111 -29.587 -8.011 -15.744 1.00 1.00 N ATOM 1712 CA PRO A 111 -29.034 -8.068 -17.106 1.00 1.00 C ATOM 1713 C PRO A 111 -29.683 -7.056 -18.071 1.00 1.00 C ATOM 1714 O PRO A 111 -30.324 -7.449 -19.067 1.00 1.00 O ATOM 1715 CB PRO A 111 -29.337 -9.504 -17.536 1.00 1.00 C ATOM 1716 CG PRO A 111 -30.579 -9.867 -16.795 1.00 1.00 C ATOM 1717 CD PRO A 111 -30.537 -9.109 -15.494 1.00 1.00 C ATOM 0 HA PRO A 111 -27.975 -7.809 -17.126 1.00 1.00 H new ATOM 0 HB2 PRO A 111 -29.485 -9.572 -18.614 1.00 1.00 H new ATOM 0 HB3 PRO A 111 -28.515 -10.175 -17.284 1.00 1.00 H new ATOM 0 HG2 PRO A 111 -31.466 -9.601 -17.370 1.00 1.00 H new ATOM 0 HG3 PRO A 111 -30.625 -10.941 -16.617 1.00 1.00 H new ATOM 0 HD2 PRO A 111 -31.522 -8.729 -15.223 1.00 1.00 H new ATOM 0 HD3 PRO A 111 -30.204 -9.745 -14.674 1.00 1.00 H new ATOM 1725 N CYS A 112 -29.501 -5.771 -17.770 1.00 1.00 N ATOM 1726 CA CYS A 112 -30.049 -4.666 -18.548 1.00 1.00 C ATOM 1727 C CYS A 112 -31.558 -4.718 -18.478 1.00 1.00 C ATOM 1728 O CYS A 112 -32.252 -5.075 -19.446 1.00 1.00 O ATOM 1729 CB CYS A 112 -29.536 -4.683 -19.995 1.00 1.00 C ATOM 1730 SG CYS A 112 -30.063 -3.296 -21.032 1.00 1.00 S ATOM 0 H CYS A 112 -28.958 -5.465 -16.963 1.00 1.00 H new ATOM 0 HA CYS A 112 -29.710 -3.722 -18.122 1.00 1.00 H new ATOM 0 HB2 CYS A 112 -28.446 -4.704 -19.974 1.00 1.00 H new ATOM 0 HB3 CYS A 112 -29.863 -5.610 -20.466 1.00 1.00 H new ATOM 0 HG CYS A 112 -29.561 -3.430 -22.224 1.00 1.00 H new