USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 689 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 SER OG : rot 80:sc= -0.134! USER MOD Set 1.2: A 80 ASN : amide:sc= 1.18 X(o=1,f=1.1) USER MOD Set 2.1: A 69 TYR OH : rot 70:sc= 1.26 USER MOD Set 2.2: A 75 THR OG1 : rot 23:sc= 1.17 USER MOD Set 3.1: A 22 HIS :FLIP no HD1:sc= -0.799 F(o=-0.73!,f=1.3) USER MOD Set 3.2: A 59 SER OG : rot -85:sc= 0.441 USER MOD Set 3.3: A 64 LYS NZ :NH3+ -170:sc= 1.69 (180deg=0.934) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.386 F(o=-0.91,f=-0.39) USER MOD Single : A 27 SER OG : rot 180:sc= -0.0351 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -166:sc= 1.25 (180deg=1.15) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -169:sc=-0.00507 (180deg=-0.0952) USER MOD Single : A 48 ASN : amide:sc= -0.543 K(o=-0.54,f=-3.8!) USER MOD Single : A 62 GLN : amide:sc= 1.41! C(o=1.4!,f=-12!) USER MOD Single : A 73 GLN :FLIP amide:sc= -0.221 F(o=-1.5!,f=-0.22) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.886 F(o=-1.9!,f=-0.89) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0.0547 K(o=0.055,f=-4.3!) USER MOD Single : A 88 THR OG1 : rot 12:sc= 0.657 USER MOD Single : A 93 ASN :FLIP amide:sc= 0 F(o=-0.95,f=0) USER MOD Single : A 96 SER OG : rot -52:sc= 0.433 USER MOD Single : A 98 LYS NZ :NH3+ -167:sc= -0.0383 (180deg=-0.235) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 3.065 -11.169 -2.211 1.00 0.00 N ATOM 2 CA GLY A 15 4.336 -11.899 -2.230 1.00 0.00 C ATOM 3 C GLY A 15 5.476 -10.953 -2.005 1.00 0.00 C ATOM 4 O GLY A 15 6.225 -10.619 -2.929 1.00 0.00 O ATOM 0 HA2 GLY A 15 4.334 -12.669 -1.458 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.458 -12.407 -3.186 1.00 0.00 H new ATOM 8 N LEU A 16 5.643 -10.510 -0.783 1.00 0.00 N ATOM 9 CA LEU A 16 6.626 -9.520 -0.513 1.00 0.00 C ATOM 10 C LEU A 16 7.308 -9.789 0.767 1.00 0.00 C ATOM 11 O LEU A 16 6.969 -10.694 1.502 1.00 0.00 O ATOM 12 CB LEU A 16 6.052 -8.112 -0.367 1.00 0.00 C ATOM 13 CG LEU A 16 5.042 -7.620 -1.342 1.00 0.00 C ATOM 14 CD1 LEU A 16 3.695 -7.785 -0.743 1.00 0.00 C ATOM 15 CD2 LEU A 16 5.307 -6.180 -1.618 1.00 0.00 C ATOM 0 H LEU A 16 5.109 -10.824 0.028 1.00 0.00 H new ATOM 0 HA LEU A 16 7.297 -9.567 -1.371 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.606 -8.044 0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.890 -7.416 -0.388 1.00 0.00 H new ATOM 0 HG LEU A 16 5.097 -8.180 -2.275 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.939 -7.429 -1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.520 -8.839 -0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.634 -7.208 0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.574 -5.805 -2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.233 -5.612 -0.690 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.308 -6.067 -2.034 1.00 0.00 H new ATOM 27 N ARG A 17 8.251 -8.965 1.020 1.00 0.00 N ATOM 28 CA ARG A 17 8.921 -8.904 2.248 1.00 0.00 C ATOM 29 C ARG A 17 8.338 -7.711 2.986 1.00 0.00 C ATOM 30 O ARG A 17 8.233 -7.734 4.196 1.00 0.00 O ATOM 31 CB ARG A 17 10.432 -8.731 2.044 1.00 0.00 C ATOM 32 CG ARG A 17 11.069 -9.840 1.217 1.00 0.00 C ATOM 33 CD ARG A 17 12.572 -9.643 1.056 1.00 0.00 C ATOM 34 NE ARG A 17 13.303 -9.768 2.335 1.00 0.00 N ATOM 35 CZ ARG A 17 14.522 -9.249 2.583 1.00 0.00 C ATOM 36 NH1 ARG A 17 15.112 -8.482 1.682 1.00 0.00 N ATOM 37 NH2 ARG A 17 15.138 -9.485 3.740 1.00 0.00 N ATOM 0 H ARG A 17 8.589 -8.284 0.340 1.00 0.00 H new ATOM 0 HA ARG A 17 8.789 -9.826 2.814 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.617 -7.774 1.556 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.919 -8.691 3.018 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.879 -10.802 1.693 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.601 -9.873 0.233 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.957 -10.377 0.349 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.762 -8.659 0.628 1.00 0.00 H new ATOM 0 HE ARG A 17 12.850 -10.287 3.087 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.645 -8.282 0.798 1.00 0.00 H new ATOM 0 HH12 ARG A 17 16.034 -8.090 1.871 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.687 -10.064 4.449 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.060 -9.087 3.917 1.00 0.00 H new ATOM 51 N GLU A 18 7.869 -6.676 2.221 1.00 0.00 N ATOM 52 CA GLU A 18 7.281 -5.452 2.885 1.00 0.00 C ATOM 53 C GLU A 18 6.187 -4.763 2.046 1.00 0.00 C ATOM 54 O GLU A 18 6.356 -4.629 0.828 1.00 0.00 O ATOM 55 CB GLU A 18 8.319 -4.305 3.077 1.00 0.00 C ATOM 56 CG GLU A 18 9.565 -4.543 3.893 1.00 0.00 C ATOM 57 CD GLU A 18 9.280 -4.984 5.301 1.00 0.00 C ATOM 58 OE1 GLU A 18 8.453 -4.347 5.990 1.00 0.00 O ATOM 59 OE2 GLU A 18 9.862 -5.980 5.750 1.00 0.00 O ATOM 0 H GLU A 18 7.880 -6.654 1.201 1.00 0.00 H new ATOM 0 HA GLU A 18 6.905 -5.859 3.824 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.638 -3.987 2.084 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.792 -3.464 3.528 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.175 -5.300 3.399 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.154 -3.626 3.919 1.00 0.00 H new ATOM 66 N ILE A 19 5.067 -4.357 2.698 1.00 0.00 N ATOM 67 CA ILE A 19 4.236 -3.286 2.181 1.00 0.00 C ATOM 68 C ILE A 19 4.142 -2.258 3.262 1.00 0.00 C ATOM 69 O ILE A 19 3.521 -2.453 4.316 1.00 0.00 O ATOM 70 CB ILE A 19 2.828 -3.692 1.667 1.00 0.00 C ATOM 71 CG1 ILE A 19 2.918 -4.276 0.277 1.00 0.00 C ATOM 72 CG2 ILE A 19 1.822 -2.515 1.696 1.00 0.00 C ATOM 73 CD1 ILE A 19 3.332 -3.263 -0.765 1.00 0.00 C ATOM 0 H ILE A 19 4.737 -4.763 3.574 1.00 0.00 H new ATOM 0 HA ILE A 19 4.715 -2.909 1.277 1.00 0.00 H new ATOM 0 HB ILE A 19 2.449 -4.452 2.350 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.633 -5.098 0.280 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.951 -4.696 0.002 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.854 -2.854 1.326 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.714 -2.154 2.719 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.189 -1.707 1.063 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.378 -3.744 -1.742 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.604 -2.452 -0.794 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.313 -2.861 -0.512 1.00 0.00 H new ATOM 85 N ARG A 20 4.816 -1.223 3.047 1.00 0.00 N ATOM 86 CA ARG A 20 4.864 -0.167 3.975 1.00 0.00 C ATOM 87 C ARG A 20 4.236 1.034 3.362 1.00 0.00 C ATOM 88 O ARG A 20 4.808 1.676 2.472 1.00 0.00 O ATOM 89 CB ARG A 20 6.299 0.128 4.415 1.00 0.00 C ATOM 90 CG ARG A 20 6.975 -1.017 5.155 1.00 0.00 C ATOM 91 CD ARG A 20 8.386 -0.642 5.550 1.00 0.00 C ATOM 92 NE ARG A 20 9.054 -1.682 6.337 1.00 0.00 N ATOM 93 CZ ARG A 20 10.187 -1.499 7.025 1.00 0.00 C ATOM 94 NH1 ARG A 20 10.866 -0.356 6.901 1.00 0.00 N ATOM 95 NH2 ARG A 20 10.657 -2.466 7.801 1.00 0.00 N ATOM 0 H ARG A 20 5.369 -1.068 2.204 1.00 0.00 H new ATOM 0 HA ARG A 20 4.313 -0.452 4.871 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.892 0.377 3.535 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.296 1.009 5.057 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.399 -1.271 6.045 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.993 -1.904 4.522 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.969 -0.444 4.651 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.363 0.283 6.126 1.00 0.00 H new ATOM 0 HE ARG A 20 8.627 -2.608 6.362 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.521 0.378 6.282 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.730 -0.216 7.425 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.155 -3.351 7.874 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.521 -2.325 8.325 1.00 0.00 H new ATOM 109 N ILE A 21 3.057 1.324 3.783 1.00 0.00 N ATOM 110 CA ILE A 21 2.381 2.471 3.279 1.00 0.00 C ATOM 111 C ILE A 21 3.011 3.637 3.918 1.00 0.00 C ATOM 112 O ILE A 21 3.268 3.614 5.103 1.00 0.00 O ATOM 113 CB ILE A 21 0.934 2.595 3.727 1.00 0.00 C ATOM 114 CG1 ILE A 21 0.370 1.313 4.331 1.00 0.00 C ATOM 115 CG2 ILE A 21 0.077 3.091 2.561 1.00 0.00 C ATOM 116 CD1 ILE A 21 -0.930 1.545 5.052 1.00 0.00 C ATOM 0 H ILE A 21 2.538 0.784 4.476 1.00 0.00 H new ATOM 0 HA ILE A 21 2.430 2.402 2.192 1.00 0.00 H new ATOM 0 HB ILE A 21 0.907 3.326 4.535 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.218 0.578 3.541 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.097 0.890 5.024 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.960 3.179 2.884 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.439 4.065 2.232 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.141 2.382 1.735 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.291 0.603 5.464 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.775 2.259 5.861 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.667 1.942 4.354 1.00 0.00 H new ATOM 128 N HIS A 22 3.279 4.614 3.192 1.00 0.00 N ATOM 129 CA HIS A 22 3.693 5.816 3.793 1.00 0.00 C ATOM 130 C HIS A 22 2.417 6.608 3.970 1.00 0.00 C ATOM 131 O HIS A 22 1.756 6.916 2.983 1.00 0.00 O ATOM 132 CB HIS A 22 4.716 6.549 2.906 1.00 0.00 C ATOM 133 CG HIS A 22 6.081 5.880 2.800 1.00 0.00 C ATOM 134 ND1 HIS A 22 6.755 5.131 3.693 1.00 0.00 N flip ATOM 135 CD2 HIS A 22 6.943 6.020 1.714 1.00 0.00 C flip ATOM 136 CE1 HIS A 22 7.978 4.839 3.164 1.00 0.00 C flip ATOM 137 NE2 HIS A 22 8.066 5.381 1.974 1.00 0.00 N flip ATOM 0 H HIS A 22 3.225 4.625 2.173 1.00 0.00 H new ATOM 0 HA HIS A 22 4.202 5.660 4.744 1.00 0.00 H new ATOM 0 HB2 HIS A 22 4.299 6.648 1.904 1.00 0.00 H new ATOM 0 HB3 HIS A 22 4.853 7.558 3.295 1.00 0.00 H new ATOM 0 HD2 HIS A 22 6.726 6.564 0.807 1.00 0.00 H new ATOM 0 HE1 HIS A 22 8.748 4.256 3.647 1.00 0.00 H new ATOM 0 HE2 HIS A 22 8.871 5.319 1.351 1.00 0.00 H new ATOM 146 N LEU A 23 2.080 6.927 5.198 1.00 0.00 N ATOM 147 CA LEU A 23 0.810 7.540 5.522 1.00 0.00 C ATOM 148 C LEU A 23 0.983 8.644 6.558 1.00 0.00 C ATOM 149 O LEU A 23 1.872 8.570 7.399 1.00 0.00 O ATOM 150 CB LEU A 23 -0.123 6.467 6.120 1.00 0.00 C ATOM 151 CG LEU A 23 -1.498 6.954 6.603 1.00 0.00 C ATOM 152 CD1 LEU A 23 -2.354 7.447 5.442 1.00 0.00 C ATOM 153 CD2 LEU A 23 -2.205 5.871 7.394 1.00 0.00 C ATOM 0 H LEU A 23 2.682 6.768 6.006 1.00 0.00 H new ATOM 0 HA LEU A 23 0.392 7.967 4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.279 5.692 5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.389 5.998 6.961 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.338 7.803 7.268 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.320 7.784 5.819 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.850 8.275 4.944 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.506 6.635 4.731 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.176 6.238 7.726 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.345 4.993 6.764 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.603 5.602 8.262 1.00 0.00 H new ATOM 165 N CYS A 24 0.137 9.647 6.466 1.00 0.00 N ATOM 166 CA CYS A 24 0.005 10.754 7.405 1.00 0.00 C ATOM 167 C CYS A 24 -0.916 11.742 6.742 1.00 0.00 C ATOM 168 O CYS A 24 -1.536 11.380 5.738 1.00 0.00 O ATOM 169 CB CYS A 24 1.349 11.404 7.769 1.00 0.00 C ATOM 170 SG CYS A 24 2.282 12.130 6.395 1.00 0.00 S ATOM 0 H CYS A 24 -0.519 9.721 5.689 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.391 10.395 8.355 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.164 12.184 8.508 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.975 10.652 8.249 1.00 0.00 H new ATOM 175 N GLN A 25 -1.057 12.940 7.261 1.00 0.00 N ATOM 176 CA GLN A 25 -1.913 13.902 6.617 1.00 0.00 C ATOM 177 C GLN A 25 -1.299 15.297 6.690 1.00 0.00 C ATOM 178 O GLN A 25 -1.413 15.999 7.699 1.00 0.00 O ATOM 179 CB GLN A 25 -3.327 13.856 7.219 1.00 0.00 C ATOM 180 CG GLN A 25 -4.389 14.602 6.418 1.00 0.00 C ATOM 181 CD GLN A 25 -4.417 14.168 4.959 1.00 0.00 C ATOM 182 OE1 GLN A 25 -3.750 14.911 4.117 1.00 0.00 O flip ATOM 183 NE2 GLN A 25 -5.090 13.201 4.591 1.00 0.00 N flip ATOM 0 H GLN A 25 -0.598 13.265 8.112 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.005 13.645 5.562 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.631 12.814 7.316 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.292 14.273 8.225 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.368 14.429 6.866 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.198 15.674 6.473 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.598 12.643 5.277 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -5.138 12.960 3.601 1.00 0.00 H new ATOM 192 N ARG A 26 -0.610 15.664 5.638 1.00 0.00 N ATOM 193 CA ARG A 26 0.065 16.947 5.543 1.00 0.00 C ATOM 194 C ARG A 26 -0.108 17.580 4.151 1.00 0.00 C ATOM 195 O ARG A 26 -0.250 18.801 4.032 1.00 0.00 O ATOM 196 CB ARG A 26 1.566 16.808 5.854 1.00 0.00 C ATOM 197 CG ARG A 26 2.318 15.879 4.906 1.00 0.00 C ATOM 198 CD ARG A 26 3.815 16.007 5.058 1.00 0.00 C ATOM 199 NE ARG A 26 4.275 17.378 4.804 1.00 0.00 N ATOM 200 CZ ARG A 26 5.080 17.753 3.805 1.00 0.00 C ATOM 201 NH1 ARG A 26 5.410 16.902 2.841 1.00 0.00 N ATOM 202 NH2 ARG A 26 5.526 18.994 3.762 1.00 0.00 N ATOM 0 H ARG A 26 -0.497 15.078 4.811 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.398 17.600 6.283 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.026 17.796 5.818 1.00 0.00 H new ATOM 0 HB3 ARG A 26 1.682 16.440 6.873 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.021 14.848 5.097 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.037 16.106 3.877 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.105 15.707 6.065 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.310 15.324 4.368 1.00 0.00 H new ATOM 0 HE ARG A 26 3.953 18.105 5.443 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.048 15.948 2.857 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.025 17.202 2.085 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.256 19.658 4.487 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.141 19.289 3.003 1.00 0.00 H new ATOM 216 N SER A 27 -0.079 16.766 3.115 1.00 0.00 N ATOM 217 CA SER A 27 -0.185 17.253 1.768 1.00 0.00 C ATOM 218 C SER A 27 -1.495 16.697 1.137 1.00 0.00 C ATOM 219 O SER A 27 -2.295 16.123 1.887 1.00 0.00 O ATOM 220 CB SER A 27 1.083 16.801 1.027 1.00 0.00 C ATOM 221 OG SER A 27 2.250 17.296 1.678 1.00 0.00 O ATOM 0 H SER A 27 0.019 15.753 3.190 1.00 0.00 H new ATOM 0 HA SER A 27 -0.248 18.340 1.713 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.118 15.712 0.986 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.056 17.158 -0.002 1.00 0.00 H new ATOM 0 HG SER A 27 3.047 16.997 1.193 1.00 0.00 H new ATOM 227 N PRO A 28 -1.781 16.945 -0.199 1.00 0.00 N ATOM 228 CA PRO A 28 -2.932 16.405 -0.951 1.00 0.00 C ATOM 229 C PRO A 28 -3.606 15.149 -0.355 1.00 0.00 C ATOM 230 O PRO A 28 -3.072 14.029 -0.434 1.00 0.00 O ATOM 231 CB PRO A 28 -2.258 16.114 -2.286 1.00 0.00 C ATOM 232 CG PRO A 28 -1.414 17.327 -2.499 1.00 0.00 C ATOM 233 CD PRO A 28 -1.025 17.832 -1.114 1.00 0.00 C ATOM 0 HA PRO A 28 -3.778 17.092 -0.971 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.658 15.205 -2.247 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.986 15.981 -3.087 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.528 17.085 -3.087 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.964 18.090 -3.050 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.050 17.759 -0.947 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.299 18.878 -0.976 1.00 0.00 H new ATOM 241 N GLY A 29 -4.785 15.366 0.237 1.00 0.00 N ATOM 242 CA GLY A 29 -5.513 14.328 0.930 1.00 0.00 C ATOM 243 C GLY A 29 -5.859 13.201 0.017 1.00 0.00 C ATOM 244 O GLY A 29 -6.426 13.413 -1.062 1.00 0.00 O ATOM 0 H GLY A 29 -5.252 16.273 0.242 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.914 13.954 1.760 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.425 14.745 1.357 1.00 0.00 H new ATOM 248 N SER A 30 -5.503 12.022 0.403 1.00 0.00 N ATOM 249 CA SER A 30 -5.705 10.892 -0.409 1.00 0.00 C ATOM 250 C SER A 30 -6.779 9.983 0.185 1.00 0.00 C ATOM 251 O SER A 30 -6.617 9.357 1.261 1.00 0.00 O ATOM 252 CB SER A 30 -4.393 10.197 -0.604 1.00 0.00 C ATOM 253 OG SER A 30 -3.403 11.129 -1.044 1.00 0.00 O ATOM 0 H SER A 30 -5.061 11.824 1.301 1.00 0.00 H new ATOM 0 HA SER A 30 -6.076 11.192 -1.389 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.077 9.733 0.330 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.502 9.397 -1.337 1.00 0.00 H new ATOM 0 HG SER A 30 -3.065 11.635 -0.276 1.00 0.00 H new ATOM 259 N GLN A 31 -7.805 9.840 -0.572 1.00 0.00 N ATOM 260 CA GLN A 31 -9.019 9.194 -0.152 1.00 0.00 C ATOM 261 C GLN A 31 -8.955 7.763 -0.480 1.00 0.00 C ATOM 262 O GLN A 31 -9.352 6.942 0.312 1.00 0.00 O ATOM 263 CB GLN A 31 -10.261 9.835 -0.783 1.00 0.00 C ATOM 264 CG GLN A 31 -10.088 10.219 -2.245 1.00 0.00 C ATOM 265 CD GLN A 31 -11.385 10.293 -3.005 1.00 0.00 C ATOM 266 OE1 GLN A 31 -12.065 11.320 -3.016 1.00 0.00 O ATOM 267 NE2 GLN A 31 -11.679 9.252 -3.738 1.00 0.00 N ATOM 0 H GLN A 31 -7.835 10.176 -1.534 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.110 9.318 0.927 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.098 9.142 -0.697 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.526 10.726 -0.214 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.588 11.186 -2.302 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.434 9.493 -2.728 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.091 8.420 -3.701 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.497 9.272 -4.347 1.00 0.00 H new ATOM 276 N GLY A 32 -8.397 7.464 -1.639 1.00 0.00 N ATOM 277 CA GLY A 32 -8.237 6.105 -2.038 1.00 0.00 C ATOM 278 C GLY A 32 -7.331 5.405 -1.085 1.00 0.00 C ATOM 279 O GLY A 32 -7.565 4.233 -0.716 1.00 0.00 O ATOM 0 H GLY A 32 -8.053 8.152 -2.309 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.206 5.607 -2.065 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.826 6.058 -3.047 1.00 0.00 H new ATOM 283 N VAL A 33 -6.330 6.148 -0.585 1.00 0.00 N ATOM 284 CA VAL A 33 -5.447 5.530 0.357 1.00 0.00 C ATOM 285 C VAL A 33 -6.178 5.370 1.668 1.00 0.00 C ATOM 286 O VAL A 33 -6.216 4.303 2.174 1.00 0.00 O ATOM 287 CB VAL A 33 -4.040 6.207 0.545 1.00 0.00 C ATOM 288 CG1 VAL A 33 -4.075 7.499 1.338 1.00 0.00 C ATOM 289 CG2 VAL A 33 -3.055 5.228 1.161 1.00 0.00 C ATOM 0 H VAL A 33 -6.135 7.123 -0.814 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.182 4.561 -0.066 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.707 6.483 -0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.066 7.902 1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.713 8.222 0.828 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.472 7.304 2.334 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.087 5.714 1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.424 4.904 2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.946 4.362 0.508 1.00 0.00 H new ATOM 299 N ARG A 34 -6.795 6.460 2.178 1.00 0.00 N ATOM 300 CA ARG A 34 -7.626 6.446 3.402 1.00 0.00 C ATOM 301 C ARG A 34 -8.566 5.273 3.410 1.00 0.00 C ATOM 302 O ARG A 34 -8.625 4.522 4.372 1.00 0.00 O ATOM 303 CB ARG A 34 -8.482 7.682 3.481 1.00 0.00 C ATOM 304 CG ARG A 34 -9.212 7.795 4.805 1.00 0.00 C ATOM 305 CD ARG A 34 -10.107 9.003 4.879 1.00 0.00 C ATOM 306 NE ARG A 34 -10.933 8.963 6.089 1.00 0.00 N ATOM 307 CZ ARG A 34 -11.401 10.032 6.743 1.00 0.00 C ATOM 308 NH1 ARG A 34 -11.019 11.259 6.385 1.00 0.00 N ATOM 309 NH2 ARG A 34 -12.244 9.866 7.749 1.00 0.00 N ATOM 0 H ARG A 34 -6.729 7.382 1.747 1.00 0.00 H new ATOM 0 HA ARG A 34 -6.935 6.391 4.243 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.857 8.563 3.337 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -9.208 7.670 2.668 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.809 6.897 4.963 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.483 7.839 5.614 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.503 9.910 4.875 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.747 9.042 3.997 1.00 0.00 H new ATOM 0 HE ARG A 34 -11.171 8.044 6.463 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -10.368 11.385 5.610 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.378 12.072 6.886 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.534 8.927 8.022 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.604 10.677 8.252 1.00 0.00 H new ATOM 323 N ASP A 35 -9.299 5.146 2.338 1.00 0.00 N ATOM 324 CA ASP A 35 -10.247 4.058 2.150 1.00 0.00 C ATOM 325 C ASP A 35 -9.586 2.754 2.315 1.00 0.00 C ATOM 326 O ASP A 35 -10.092 1.895 3.038 1.00 0.00 O ATOM 327 CB ASP A 35 -10.938 4.117 0.801 1.00 0.00 C ATOM 328 CG ASP A 35 -12.069 5.113 0.708 1.00 0.00 C ATOM 329 OD1 ASP A 35 -12.995 5.061 1.545 1.00 0.00 O ATOM 330 OD2 ASP A 35 -12.087 5.935 -0.233 1.00 0.00 O ATOM 0 H ASP A 35 -9.262 5.798 1.555 1.00 0.00 H new ATOM 0 HA ASP A 35 -11.011 4.176 2.918 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.196 4.359 0.040 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.326 3.126 0.564 1.00 0.00 H new ATOM 335 N PHE A 36 -8.471 2.587 1.656 1.00 0.00 N ATOM 336 CA PHE A 36 -7.655 1.425 1.857 1.00 0.00 C ATOM 337 C PHE A 36 -7.331 1.295 3.332 1.00 0.00 C ATOM 338 O PHE A 36 -7.805 0.387 3.963 1.00 0.00 O ATOM 339 CB PHE A 36 -6.428 1.495 0.922 1.00 0.00 C ATOM 340 CG PHE A 36 -5.097 0.946 1.389 1.00 0.00 C ATOM 341 CD1 PHE A 36 -4.295 1.726 2.191 1.00 0.00 C ATOM 342 CD2 PHE A 36 -4.590 -0.271 0.930 1.00 0.00 C ATOM 343 CE1 PHE A 36 -3.046 1.307 2.544 1.00 0.00 C ATOM 344 CE2 PHE A 36 -3.323 -0.667 1.265 1.00 0.00 C ATOM 345 CZ PHE A 36 -2.551 0.118 2.073 1.00 0.00 C ATOM 0 H PHE A 36 -8.107 3.248 0.970 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.178 0.508 1.586 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.690 0.974 0.001 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.275 2.543 0.663 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.659 2.680 2.544 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.202 -0.905 0.306 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.442 1.917 3.200 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.933 -1.602 0.890 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.553 -0.197 2.340 1.00 0.00 H new ATOM 355 N ILE A 37 -6.724 2.325 3.858 1.00 0.00 N ATOM 356 CA ILE A 37 -6.219 2.420 5.250 1.00 0.00 C ATOM 357 C ILE A 37 -7.309 1.982 6.273 1.00 0.00 C ATOM 358 O ILE A 37 -7.003 1.377 7.285 1.00 0.00 O ATOM 359 CB ILE A 37 -5.847 3.904 5.669 1.00 0.00 C ATOM 360 CG1 ILE A 37 -4.924 4.710 4.728 1.00 0.00 C ATOM 361 CG2 ILE A 37 -5.336 4.000 7.096 1.00 0.00 C ATOM 362 CD1 ILE A 37 -3.575 4.146 4.453 1.00 0.00 C ATOM 0 H ILE A 37 -6.547 3.175 3.322 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.340 1.776 5.269 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.818 4.391 5.577 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.439 4.835 3.775 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.794 5.705 5.153 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.097 5.038 7.328 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -6.104 3.642 7.782 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.440 3.389 7.204 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.033 4.810 3.780 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.024 4.049 5.388 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.678 3.165 3.989 1.00 0.00 H new ATOM 374 N GLU A 38 -8.566 2.328 6.013 1.00 0.00 N ATOM 375 CA GLU A 38 -9.614 2.107 6.992 1.00 0.00 C ATOM 376 C GLU A 38 -10.527 0.964 6.626 1.00 0.00 C ATOM 377 O GLU A 38 -10.597 -0.050 7.329 1.00 0.00 O ATOM 378 CB GLU A 38 -10.394 3.400 7.359 1.00 0.00 C ATOM 379 CG GLU A 38 -11.069 4.130 6.200 1.00 0.00 C ATOM 380 CD GLU A 38 -11.840 5.337 6.656 1.00 0.00 C ATOM 381 OE1 GLU A 38 -11.233 6.382 6.923 1.00 0.00 O ATOM 382 OE2 GLU A 38 -13.074 5.259 6.779 1.00 0.00 O ATOM 0 H GLU A 38 -8.877 2.757 5.142 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.099 1.804 7.903 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.157 3.143 8.094 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.704 4.091 7.844 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.313 4.437 5.477 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.743 3.445 5.685 1.00 0.00 H new ATOM 389 N LYS A 39 -11.178 1.126 5.487 1.00 0.00 N ATOM 390 CA LYS A 39 -12.209 0.239 5.021 1.00 0.00 C ATOM 391 C LYS A 39 -11.596 -1.021 4.535 1.00 0.00 C ATOM 392 O LYS A 39 -12.111 -2.128 4.768 1.00 0.00 O ATOM 393 CB LYS A 39 -12.929 0.869 3.815 1.00 0.00 C ATOM 394 CG LYS A 39 -14.164 0.090 3.355 1.00 0.00 C ATOM 395 CD LYS A 39 -14.627 0.475 1.948 1.00 0.00 C ATOM 396 CE LYS A 39 -13.674 -0.062 0.874 1.00 0.00 C ATOM 397 NZ LYS A 39 -14.177 0.191 -0.496 1.00 0.00 N ATOM 0 H LYS A 39 -10.993 1.901 4.850 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.901 0.055 5.843 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.227 1.885 4.072 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.228 0.944 2.984 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.943 -0.977 3.379 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.978 0.263 4.059 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.629 0.084 1.774 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.690 1.560 1.869 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -12.696 0.404 0.992 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -13.535 -1.134 1.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -13.639 -0.384 -1.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.184 -0.064 -0.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -14.062 1.198 -0.727 1.00 0.00 H new ATOM 411 N ARG A 40 -10.486 -0.880 3.865 1.00 0.00 N ATOM 412 CA ARG A 40 -9.968 -1.980 3.186 1.00 0.00 C ATOM 413 C ARG A 40 -8.904 -2.656 4.004 1.00 0.00 C ATOM 414 O ARG A 40 -8.694 -3.782 3.835 1.00 0.00 O ATOM 415 CB ARG A 40 -9.460 -1.549 1.811 1.00 0.00 C ATOM 416 CG ARG A 40 -9.076 -2.688 0.908 1.00 0.00 C ATOM 417 CD ARG A 40 -10.269 -3.524 0.485 1.00 0.00 C ATOM 418 NE ARG A 40 -9.857 -4.685 -0.307 1.00 0.00 N ATOM 419 CZ ARG A 40 -10.679 -5.576 -0.864 1.00 0.00 C ATOM 420 NH1 ARG A 40 -11.991 -5.367 -0.863 1.00 0.00 N ATOM 421 NH2 ARG A 40 -10.169 -6.657 -1.442 1.00 0.00 N ATOM 0 H ARG A 40 -9.947 -0.018 3.789 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.758 -2.715 3.030 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.232 -0.957 1.321 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.595 -0.899 1.944 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.581 -2.293 0.021 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.354 -3.325 1.419 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.811 -3.859 1.369 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.956 -2.910 -0.097 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.856 -4.824 -0.444 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.373 -4.523 -0.436 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.617 -6.050 -1.290 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.159 -6.799 -1.457 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.787 -7.345 -1.871 1.00 0.00 H new ATOM 435 N TYR A 41 -8.288 -1.926 4.917 1.00 0.00 N ATOM 436 CA TYR A 41 -7.165 -2.406 5.794 1.00 0.00 C ATOM 437 C TYR A 41 -7.260 -3.864 6.246 1.00 0.00 C ATOM 438 O TYR A 41 -6.382 -4.668 5.971 1.00 0.00 O ATOM 439 CB TYR A 41 -7.130 -1.545 7.021 1.00 0.00 C ATOM 440 CG TYR A 41 -5.995 -1.815 7.967 1.00 0.00 C ATOM 441 CD1 TYR A 41 -4.752 -1.250 7.772 1.00 0.00 C ATOM 442 CD2 TYR A 41 -6.184 -2.638 9.061 1.00 0.00 C ATOM 443 CE1 TYR A 41 -3.720 -1.499 8.645 1.00 0.00 C ATOM 444 CE2 TYR A 41 -5.177 -2.899 9.935 1.00 0.00 C ATOM 445 CZ TYR A 41 -3.929 -2.324 9.730 1.00 0.00 C ATOM 446 OH TYR A 41 -2.888 -2.580 10.606 1.00 0.00 O ATOM 0 H TYR A 41 -8.540 -0.954 5.096 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.263 -2.337 5.185 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.081 -0.501 6.710 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -8.068 -1.673 7.561 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.587 -0.604 6.923 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -7.154 -3.084 9.225 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.751 -1.051 8.482 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.345 -3.548 10.782 1.00 0.00 H new ATOM 0 HH TYR A 41 -3.199 -3.178 11.317 1.00 0.00 H new ATOM 456 N VAL A 42 -8.275 -4.168 6.960 1.00 0.00 N ATOM 457 CA VAL A 42 -8.466 -5.494 7.495 1.00 0.00 C ATOM 458 C VAL A 42 -8.658 -6.530 6.371 1.00 0.00 C ATOM 459 O VAL A 42 -8.162 -7.660 6.447 1.00 0.00 O ATOM 460 CB VAL A 42 -9.620 -5.467 8.512 1.00 0.00 C ATOM 461 CG1 VAL A 42 -10.767 -4.651 7.966 1.00 0.00 C ATOM 462 CG2 VAL A 42 -10.054 -6.864 8.918 1.00 0.00 C ATOM 0 H VAL A 42 -9.015 -3.509 7.202 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.569 -5.813 8.026 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.263 -4.987 9.424 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.581 -4.636 8.691 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.431 -3.632 7.777 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.119 -5.095 7.035 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -10.871 -6.797 9.637 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.390 -7.411 8.037 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.213 -7.389 9.372 1.00 0.00 H new ATOM 472 N GLU A 43 -9.265 -6.084 5.304 1.00 0.00 N ATOM 473 CA GLU A 43 -9.503 -6.868 4.111 1.00 0.00 C ATOM 474 C GLU A 43 -8.210 -6.850 3.267 1.00 0.00 C ATOM 475 O GLU A 43 -8.038 -7.615 2.369 1.00 0.00 O ATOM 476 CB GLU A 43 -10.638 -6.189 3.339 1.00 0.00 C ATOM 477 CG GLU A 43 -11.222 -6.973 2.192 1.00 0.00 C ATOM 478 CD GLU A 43 -11.963 -8.182 2.646 1.00 0.00 C ATOM 479 OE1 GLU A 43 -12.889 -8.051 3.467 1.00 0.00 O ATOM 480 OE2 GLU A 43 -11.663 -9.286 2.195 1.00 0.00 O ATOM 0 H GLU A 43 -9.622 -5.131 5.234 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.772 -7.898 4.345 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.440 -5.958 4.040 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.269 -5.239 2.953 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.894 -6.331 1.623 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.421 -7.274 1.517 1.00 0.00 H new ATOM 487 N LEU A 44 -7.315 -5.960 3.584 1.00 0.00 N ATOM 488 CA LEU A 44 -6.067 -5.836 2.904 1.00 0.00 C ATOM 489 C LEU A 44 -5.106 -6.806 3.513 1.00 0.00 C ATOM 490 O LEU A 44 -4.330 -7.440 2.829 1.00 0.00 O ATOM 491 CB LEU A 44 -5.621 -4.375 3.043 1.00 0.00 C ATOM 492 CG LEU A 44 -4.147 -4.058 3.026 1.00 0.00 C ATOM 493 CD1 LEU A 44 -3.553 -4.144 1.662 1.00 0.00 C ATOM 494 CD2 LEU A 44 -3.875 -2.737 3.712 1.00 0.00 C ATOM 0 H LEU A 44 -7.439 -5.287 4.340 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.131 -6.072 1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.089 -3.810 2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.029 -3.993 3.979 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.637 -4.831 3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.491 -3.906 1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.680 -5.154 1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.053 -3.435 1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.805 -2.528 3.688 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.412 -1.941 3.195 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.212 -2.789 4.747 1.00 0.00 H new ATOM 506 N LYS A 45 -5.200 -6.936 4.793 1.00 0.00 N ATOM 507 CA LYS A 45 -4.412 -7.872 5.500 1.00 0.00 C ATOM 508 C LYS A 45 -4.933 -9.283 5.220 1.00 0.00 C ATOM 509 O LYS A 45 -4.166 -10.214 5.007 1.00 0.00 O ATOM 510 CB LYS A 45 -4.468 -7.564 6.996 1.00 0.00 C ATOM 511 CG LYS A 45 -3.641 -8.499 7.846 1.00 0.00 C ATOM 512 CD LYS A 45 -3.769 -8.175 9.317 1.00 0.00 C ATOM 513 CE LYS A 45 -2.929 -9.136 10.129 1.00 0.00 C ATOM 514 NZ LYS A 45 -3.000 -8.877 11.576 1.00 0.00 N ATOM 0 H LYS A 45 -5.832 -6.389 5.377 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.375 -7.807 5.172 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.126 -6.542 7.159 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.505 -7.610 7.328 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.958 -9.527 7.671 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.595 -8.433 7.548 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.447 -7.150 9.502 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.813 -8.241 9.624 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.259 -10.156 9.931 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.891 -9.068 9.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.406 -9.565 12.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.660 -7.914 11.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.985 -8.969 11.897 1.00 0.00 H new ATOM 528 N LYS A 46 -6.244 -9.428 5.181 1.00 0.00 N ATOM 529 CA LYS A 46 -6.824 -10.738 5.001 1.00 0.00 C ATOM 530 C LYS A 46 -6.825 -11.155 3.536 1.00 0.00 C ATOM 531 O LYS A 46 -6.566 -12.326 3.240 1.00 0.00 O ATOM 532 CB LYS A 46 -8.260 -10.801 5.558 1.00 0.00 C ATOM 533 CG LYS A 46 -9.332 -10.302 4.598 1.00 0.00 C ATOM 534 CD LYS A 46 -10.625 -9.938 5.325 1.00 0.00 C ATOM 535 CE LYS A 46 -11.331 -11.162 5.905 1.00 0.00 C ATOM 536 NZ LYS A 46 -11.834 -12.086 4.855 1.00 0.00 N ATOM 0 H LYS A 46 -6.916 -8.666 5.270 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.200 -11.435 5.561 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.486 -11.832 5.831 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.307 -10.212 6.474 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.960 -9.430 4.061 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.539 -11.071 3.853 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.402 -9.236 6.128 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -11.296 -9.428 4.634 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.641 -11.699 6.556 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -12.165 -10.835 6.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.460 -12.795 5.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.364 -11.545 4.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.031 -12.565 4.400 1.00 0.00 H new ATOM 550 N ALA A 47 -7.053 -10.206 2.598 1.00 0.00 N ATOM 551 CA ALA A 47 -7.268 -10.641 1.249 1.00 0.00 C ATOM 552 C ALA A 47 -5.977 -10.679 0.459 1.00 0.00 C ATOM 553 O ALA A 47 -5.943 -11.107 -0.694 1.00 0.00 O ATOM 554 CB ALA A 47 -8.338 -9.840 0.521 1.00 0.00 C ATOM 0 H ALA A 47 -7.087 -9.199 2.759 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.648 -11.660 1.324 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.450 -10.221 -0.494 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.286 -9.934 1.051 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -8.045 -8.791 0.484 1.00 0.00 H new ATOM 560 N ASN A 48 -4.916 -10.258 1.102 1.00 0.00 N ATOM 561 CA ASN A 48 -3.606 -10.203 0.552 1.00 0.00 C ATOM 562 C ASN A 48 -2.747 -10.832 1.637 1.00 0.00 C ATOM 563 O ASN A 48 -2.299 -10.162 2.560 1.00 0.00 O ATOM 564 CB ASN A 48 -3.113 -8.755 0.303 1.00 0.00 C ATOM 565 CG ASN A 48 -3.946 -7.852 -0.641 1.00 0.00 C ATOM 566 OD1 ASN A 48 -5.153 -8.014 -0.819 1.00 0.00 O ATOM 567 ND2 ASN A 48 -3.299 -6.850 -1.224 1.00 0.00 N ATOM 0 H ASN A 48 -4.956 -9.932 2.068 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.567 -10.700 -0.417 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -3.046 -8.255 1.269 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.101 -8.812 -0.097 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.802 -6.201 -1.829 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.299 -6.729 -1.067 1.00 0.00 H new ATOM 574 N PRO A 49 -2.638 -12.145 1.602 1.00 0.00 N ATOM 575 CA PRO A 49 -1.974 -12.943 2.644 1.00 0.00 C ATOM 576 C PRO A 49 -0.534 -12.584 2.842 1.00 0.00 C ATOM 577 O PRO A 49 -0.141 -12.065 3.875 1.00 0.00 O ATOM 578 CB PRO A 49 -2.117 -14.374 2.141 1.00 0.00 C ATOM 579 CG PRO A 49 -2.376 -14.224 0.690 1.00 0.00 C ATOM 580 CD PRO A 49 -3.184 -12.977 0.553 1.00 0.00 C ATOM 0 HA PRO A 49 -2.424 -12.774 3.622 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.213 -14.954 2.326 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.936 -14.892 2.640 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.443 -14.150 0.131 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.916 -15.086 0.297 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.067 -12.522 -0.430 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.249 -13.164 0.694 1.00 0.00 H new ATOM 588 N ASP A 50 0.229 -12.815 1.842 1.00 0.00 N ATOM 589 CA ASP A 50 1.658 -12.505 1.896 1.00 0.00 C ATOM 590 C ASP A 50 1.890 -11.071 1.432 1.00 0.00 C ATOM 591 O ASP A 50 2.661 -10.775 0.495 1.00 0.00 O ATOM 592 CB ASP A 50 2.507 -13.509 1.105 1.00 0.00 C ATOM 593 CG ASP A 50 3.998 -13.355 1.390 1.00 0.00 C ATOM 594 OD1 ASP A 50 4.450 -13.737 2.490 1.00 0.00 O ATOM 595 OD2 ASP A 50 4.749 -12.882 0.519 1.00 0.00 O ATOM 0 H ASP A 50 -0.087 -13.219 0.960 1.00 0.00 H new ATOM 0 HA ASP A 50 1.986 -12.595 2.932 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.194 -14.523 1.355 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.327 -13.373 0.039 1.00 0.00 H new ATOM 600 N LEU A 51 1.145 -10.200 2.029 1.00 0.00 N ATOM 601 CA LEU A 51 1.242 -8.806 1.814 1.00 0.00 C ATOM 602 C LEU A 51 1.506 -8.196 3.198 1.00 0.00 C ATOM 603 O LEU A 51 0.588 -8.091 3.998 1.00 0.00 O ATOM 604 CB LEU A 51 -0.118 -8.331 1.242 1.00 0.00 C ATOM 605 CG LEU A 51 -0.304 -6.906 0.656 1.00 0.00 C ATOM 606 CD1 LEU A 51 0.099 -5.798 1.577 1.00 0.00 C ATOM 607 CD2 LEU A 51 0.346 -6.770 -0.680 1.00 0.00 C ATOM 0 H LEU A 51 0.426 -10.457 2.705 1.00 0.00 H new ATOM 0 HA LEU A 51 2.030 -8.519 1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.393 -9.034 0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.852 -8.443 2.040 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.381 -6.793 0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.065 -4.839 1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.499 -5.846 2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.154 -5.901 1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.194 -5.759 -1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.414 -6.966 -0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.095 -7.486 -1.374 1.00 0.00 H new ATOM 619 N PRO A 52 2.770 -7.922 3.543 1.00 0.00 N ATOM 620 CA PRO A 52 3.113 -7.281 4.813 1.00 0.00 C ATOM 621 C PRO A 52 2.432 -5.967 4.987 1.00 0.00 C ATOM 622 O PRO A 52 2.627 -5.077 4.189 1.00 0.00 O ATOM 623 CB PRO A 52 4.567 -7.001 4.710 1.00 0.00 C ATOM 624 CG PRO A 52 5.090 -7.907 3.677 1.00 0.00 C ATOM 625 CD PRO A 52 3.955 -8.269 2.774 1.00 0.00 C ATOM 0 HA PRO A 52 2.821 -7.922 5.645 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.744 -5.960 4.440 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.064 -7.172 5.665 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.888 -7.424 3.113 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.517 -8.801 4.132 1.00 0.00 H new ATOM 0 HD2 PRO A 52 3.999 -7.715 1.836 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.970 -9.329 2.519 1.00 0.00 H new ATOM 633 N ILE A 53 1.739 -5.827 6.066 1.00 0.00 N ATOM 634 CA ILE A 53 0.913 -4.640 6.291 1.00 0.00 C ATOM 635 C ILE A 53 1.575 -3.742 7.355 1.00 0.00 C ATOM 636 O ILE A 53 1.455 -4.013 8.562 1.00 0.00 O ATOM 637 CB ILE A 53 -0.544 -5.019 6.777 1.00 0.00 C ATOM 638 CG1 ILE A 53 -1.195 -6.100 5.890 1.00 0.00 C ATOM 639 CG2 ILE A 53 -1.459 -3.785 6.828 1.00 0.00 C ATOM 640 CD1 ILE A 53 -1.521 -5.659 4.478 1.00 0.00 C ATOM 0 H ILE A 53 1.714 -6.511 6.822 1.00 0.00 H new ATOM 0 HA ILE A 53 0.831 -4.113 5.341 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.430 -5.424 7.783 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.526 -6.959 5.841 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.113 -6.438 6.370 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.452 -4.082 7.166 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.044 -3.053 7.521 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.531 -3.344 5.834 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.975 -6.487 3.934 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.217 -4.821 4.510 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.606 -5.351 3.973 1.00 0.00 H new ATOM 652 N LEU A 54 2.312 -2.729 6.915 1.00 0.00 N ATOM 653 CA LEU A 54 2.968 -1.781 7.827 1.00 0.00 C ATOM 654 C LEU A 54 2.598 -0.346 7.462 1.00 0.00 C ATOM 655 O LEU A 54 2.560 0.012 6.285 1.00 0.00 O ATOM 656 CB LEU A 54 4.520 -1.909 7.814 1.00 0.00 C ATOM 657 CG LEU A 54 5.167 -3.209 8.343 1.00 0.00 C ATOM 658 CD1 LEU A 54 4.660 -3.570 9.727 1.00 0.00 C ATOM 659 CD2 LEU A 54 5.015 -4.367 7.369 1.00 0.00 C ATOM 0 H LEU A 54 2.475 -2.537 5.927 1.00 0.00 H new ATOM 0 HA LEU A 54 2.613 -2.027 8.828 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.853 -1.770 6.786 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.924 -1.080 8.395 1.00 0.00 H new ATOM 0 HG LEU A 54 6.235 -3.011 8.432 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.140 -4.490 10.062 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.895 -2.764 10.422 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.580 -3.716 9.692 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.486 -5.257 7.786 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.956 -4.562 7.198 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.494 -4.112 6.424 1.00 0.00 H new ATOM 671 N ILE A 55 2.334 0.467 8.466 1.00 0.00 N ATOM 672 CA ILE A 55 1.995 1.866 8.279 1.00 0.00 C ATOM 673 C ILE A 55 3.186 2.736 8.670 1.00 0.00 C ATOM 674 O ILE A 55 3.675 2.689 9.806 1.00 0.00 O ATOM 675 CB ILE A 55 0.691 2.322 9.073 1.00 0.00 C ATOM 676 CG1 ILE A 55 -0.605 1.720 8.469 1.00 0.00 C ATOM 677 CG2 ILE A 55 0.572 3.844 9.134 1.00 0.00 C ATOM 678 CD1 ILE A 55 -0.761 0.225 8.640 1.00 0.00 C ATOM 0 H ILE A 55 2.349 0.174 9.443 1.00 0.00 H new ATOM 0 HA ILE A 55 1.761 1.995 7.222 1.00 0.00 H new ATOM 0 HB ILE A 55 0.804 1.937 10.086 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.463 2.213 8.926 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.633 1.953 7.405 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.329 4.117 9.683 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.444 4.257 9.640 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.516 4.245 8.122 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.697 -0.098 8.184 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.072 -0.285 8.157 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.771 -0.021 9.702 1.00 0.00 H new ATOM 690 N ARG A 56 3.666 3.468 7.723 1.00 0.00 N ATOM 691 CA ARG A 56 4.773 4.389 7.898 1.00 0.00 C ATOM 692 C ARG A 56 4.259 5.816 7.881 1.00 0.00 C ATOM 693 O ARG A 56 3.097 6.050 7.594 1.00 0.00 O ATOM 694 CB ARG A 56 5.832 4.207 6.819 1.00 0.00 C ATOM 695 CG ARG A 56 6.545 2.849 6.805 1.00 0.00 C ATOM 696 CD ARG A 56 7.463 2.637 8.017 1.00 0.00 C ATOM 697 NE ARG A 56 6.747 2.445 9.290 1.00 0.00 N ATOM 698 CZ ARG A 56 7.264 2.703 10.508 1.00 0.00 C ATOM 699 NH1 ARG A 56 8.400 3.391 10.628 1.00 0.00 N ATOM 700 NH2 ARG A 56 6.614 2.300 11.593 1.00 0.00 N ATOM 0 H ARG A 56 3.298 3.453 6.772 1.00 0.00 H new ATOM 0 HA ARG A 56 5.238 4.176 8.860 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.363 4.360 5.847 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.582 4.989 6.937 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.799 2.054 6.778 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.134 2.764 5.892 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.094 1.767 7.833 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.126 3.497 8.112 1.00 0.00 H new ATOM 0 HE ARG A 56 5.791 2.091 9.247 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.884 3.726 9.795 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.785 3.582 11.553 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.730 1.799 11.501 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.998 2.491 12.518 1.00 0.00 H new ATOM 714 N GLU A 57 5.127 6.735 8.168 1.00 0.00 N ATOM 715 CA GLU A 57 4.810 8.147 8.332 1.00 0.00 C ATOM 716 C GLU A 57 5.321 9.029 7.190 1.00 0.00 C ATOM 717 O GLU A 57 5.946 8.517 6.229 1.00 0.00 O ATOM 718 CB GLU A 57 5.254 8.651 9.685 1.00 0.00 C ATOM 719 CG GLU A 57 4.558 7.925 10.809 1.00 0.00 C ATOM 720 CD GLU A 57 4.871 8.489 12.140 1.00 0.00 C ATOM 721 OE1 GLU A 57 4.204 9.453 12.554 1.00 0.00 O ATOM 722 OE2 GLU A 57 5.767 7.969 12.815 1.00 0.00 O ATOM 0 H GLU A 57 6.117 6.530 8.303 1.00 0.00 H new ATOM 0 HA GLU A 57 3.724 8.224 8.284 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.332 8.525 9.784 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.049 9.719 9.760 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.481 7.964 10.648 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.846 6.874 10.789 1.00 0.00 H new ATOM 729 N CYS A 58 4.899 10.321 7.229 1.00 0.00 N ATOM 730 CA CYS A 58 5.277 11.389 6.261 1.00 0.00 C ATOM 731 C CYS A 58 6.652 11.185 5.658 1.00 0.00 C ATOM 732 O CYS A 58 7.634 10.924 6.356 1.00 0.00 O ATOM 733 CB CYS A 58 5.219 12.774 6.910 1.00 0.00 C ATOM 734 SG CYS A 58 3.556 13.344 7.390 1.00 0.00 S ATOM 0 H CYS A 58 4.268 10.659 7.956 1.00 0.00 H new ATOM 0 HA CYS A 58 4.544 11.325 5.457 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.852 12.768 7.797 1.00 0.00 H new ATOM 0 HB3 CYS A 58 5.647 13.499 6.218 1.00 0.00 H new ATOM 739 N SER A 59 6.705 11.308 4.359 1.00 0.00 N ATOM 740 CA SER A 59 7.889 10.998 3.612 1.00 0.00 C ATOM 741 C SER A 59 7.999 11.794 2.288 1.00 0.00 C ATOM 742 O SER A 59 9.097 12.215 1.909 1.00 0.00 O ATOM 743 CB SER A 59 7.906 9.491 3.388 1.00 0.00 C ATOM 744 OG SER A 59 6.564 8.969 3.510 1.00 0.00 O ATOM 0 H SER A 59 5.923 11.628 3.788 1.00 0.00 H new ATOM 0 HA SER A 59 8.767 11.304 4.180 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.307 9.264 2.400 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.561 9.012 4.116 1.00 0.00 H new ATOM 0 HG SER A 59 6.364 8.799 4.454 1.00 0.00 H new ATOM 750 N ASP A 60 6.866 12.037 1.600 1.00 0.00 N ATOM 751 CA ASP A 60 6.878 12.742 0.322 1.00 0.00 C ATOM 752 C ASP A 60 5.620 13.593 0.302 1.00 0.00 C ATOM 753 O ASP A 60 5.440 14.423 1.191 1.00 0.00 O ATOM 754 CB ASP A 60 6.884 11.754 -0.875 1.00 0.00 C ATOM 755 CG ASP A 60 8.009 10.731 -0.845 1.00 0.00 C ATOM 756 OD1 ASP A 60 7.811 9.645 -0.257 1.00 0.00 O ATOM 757 OD2 ASP A 60 9.099 10.978 -1.404 1.00 0.00 O ATOM 0 H ASP A 60 5.938 11.753 1.914 1.00 0.00 H new ATOM 0 HA ASP A 60 7.779 13.347 0.223 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.931 11.226 -0.898 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.955 12.325 -1.801 1.00 0.00 H new ATOM 762 N VAL A 61 4.728 13.382 -0.653 1.00 0.00 N ATOM 763 CA VAL A 61 3.446 14.065 -0.595 1.00 0.00 C ATOM 764 C VAL A 61 2.559 13.366 0.421 1.00 0.00 C ATOM 765 O VAL A 61 2.423 13.819 1.559 1.00 0.00 O ATOM 766 CB VAL A 61 2.687 14.150 -1.975 1.00 0.00 C ATOM 767 CG1 VAL A 61 1.281 14.717 -1.809 1.00 0.00 C ATOM 768 CG2 VAL A 61 3.424 15.008 -2.956 1.00 0.00 C ATOM 0 H VAL A 61 4.860 12.764 -1.453 1.00 0.00 H new ATOM 0 HA VAL A 61 3.661 15.094 -0.306 1.00 0.00 H new ATOM 0 HB VAL A 61 2.628 13.129 -2.352 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.789 14.760 -2.781 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.707 14.076 -1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.341 15.720 -1.387 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.872 15.044 -3.895 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.523 16.017 -2.555 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.415 14.589 -3.133 1.00 0.00 H new ATOM 778 N GLN A 62 2.074 12.194 0.068 1.00 0.00 N ATOM 779 CA GLN A 62 1.044 11.549 0.856 1.00 0.00 C ATOM 780 C GLN A 62 1.070 10.010 0.864 1.00 0.00 C ATOM 781 O GLN A 62 1.728 9.443 1.728 1.00 0.00 O ATOM 782 CB GLN A 62 -0.370 12.130 0.585 1.00 0.00 C ATOM 783 CG GLN A 62 -0.654 13.396 1.318 1.00 0.00 C ATOM 784 CD GLN A 62 -0.802 13.176 2.791 1.00 0.00 C ATOM 785 OE1 GLN A 62 -0.432 14.016 3.581 1.00 0.00 O ATOM 786 NE2 GLN A 62 -1.424 12.100 3.166 1.00 0.00 N ATOM 0 H GLN A 62 2.374 11.671 -0.755 1.00 0.00 H new ATOM 0 HA GLN A 62 1.307 11.808 1.882 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -0.480 12.309 -0.485 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.117 11.386 0.862 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.153 14.107 1.138 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.567 13.844 0.926 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.721 11.414 2.472 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.616 11.940 4.155 1.00 0.00 H new ATOM 795 N PRO A 63 0.440 9.293 -0.106 1.00 0.00 N ATOM 796 CA PRO A 63 0.279 7.865 -0.024 1.00 0.00 C ATOM 797 C PRO A 63 1.240 7.116 -0.917 1.00 0.00 C ATOM 798 O PRO A 63 0.936 6.829 -2.058 1.00 0.00 O ATOM 799 CB PRO A 63 -1.129 7.701 -0.557 1.00 0.00 C ATOM 800 CG PRO A 63 -1.308 8.822 -1.552 1.00 0.00 C ATOM 801 CD PRO A 63 -0.137 9.762 -1.377 1.00 0.00 C ATOM 0 HA PRO A 63 0.461 7.476 0.978 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.260 6.728 -1.032 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.864 7.765 0.245 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.341 8.432 -2.570 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.250 9.343 -1.380 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.573 9.688 -2.200 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.454 10.804 -1.322 1.00 0.00 H new ATOM 809 N LYS A 64 2.377 6.819 -0.429 1.00 0.00 N ATOM 810 CA LYS A 64 3.348 6.152 -1.261 1.00 0.00 C ATOM 811 C LYS A 64 3.393 4.718 -0.855 1.00 0.00 C ATOM 812 O LYS A 64 3.310 4.397 0.343 1.00 0.00 O ATOM 813 CB LYS A 64 4.765 6.774 -1.171 1.00 0.00 C ATOM 814 CG LYS A 64 4.919 8.273 -1.544 1.00 0.00 C ATOM 815 CD LYS A 64 4.276 9.201 -0.530 1.00 0.00 C ATOM 816 CE LYS A 64 4.968 9.085 0.803 1.00 0.00 C ATOM 817 NZ LYS A 64 4.337 9.871 1.880 1.00 0.00 N ATOM 0 H LYS A 64 2.676 7.015 0.526 1.00 0.00 H new ATOM 0 HA LYS A 64 3.038 6.264 -2.300 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.125 6.644 -0.150 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.426 6.198 -1.818 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.979 8.514 -1.630 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.472 8.447 -2.523 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.328 10.230 -0.885 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.220 8.955 -0.421 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.990 8.036 1.099 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.003 9.407 0.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.958 9.878 2.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.185 10.847 1.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.423 9.444 2.132 1.00 0.00 H new ATOM 831 N LEU A 65 3.539 3.880 -1.821 1.00 0.00 N ATOM 832 CA LEU A 65 3.478 2.477 -1.622 1.00 0.00 C ATOM 833 C LEU A 65 4.834 1.935 -1.534 1.00 0.00 C ATOM 834 O LEU A 65 5.496 1.850 -2.544 1.00 0.00 O ATOM 835 CB LEU A 65 2.842 1.856 -2.833 1.00 0.00 C ATOM 836 CG LEU A 65 2.431 0.386 -2.718 1.00 0.00 C ATOM 837 CD1 LEU A 65 1.505 0.165 -1.528 1.00 0.00 C ATOM 838 CD2 LEU A 65 1.776 -0.068 -4.009 1.00 0.00 C ATOM 0 H LEU A 65 3.707 4.157 -2.788 1.00 0.00 H new ATOM 0 HA LEU A 65 2.917 2.266 -0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.956 2.438 -3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.536 1.951 -3.668 1.00 0.00 H new ATOM 0 HG LEU A 65 3.326 -0.213 -2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.230 -0.888 -1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.016 0.456 -0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.606 0.769 -1.650 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.486 -1.115 -3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.891 0.539 -4.201 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.480 0.045 -4.834 1.00 0.00 H new ATOM 850 N TRP A 66 5.295 1.625 -0.381 1.00 0.00 N ATOM 851 CA TRP A 66 6.544 0.974 -0.344 1.00 0.00 C ATOM 852 C TRP A 66 6.301 -0.516 -0.439 1.00 0.00 C ATOM 853 O TRP A 66 5.647 -1.108 0.412 1.00 0.00 O ATOM 854 CB TRP A 66 7.415 1.317 0.893 1.00 0.00 C ATOM 855 CG TRP A 66 8.581 0.367 1.044 1.00 0.00 C ATOM 856 CD1 TRP A 66 8.723 -0.649 1.952 1.00 0.00 C ATOM 857 CD2 TRP A 66 9.710 0.305 0.206 1.00 0.00 C ATOM 858 NE1 TRP A 66 9.893 -1.329 1.718 1.00 0.00 N ATOM 859 CE2 TRP A 66 10.517 -0.752 0.645 1.00 0.00 C ATOM 860 CE3 TRP A 66 10.115 1.050 -0.871 1.00 0.00 C ATOM 861 CZ2 TRP A 66 11.707 -1.065 0.013 1.00 0.00 C ATOM 862 CZ3 TRP A 66 11.276 0.738 -1.491 1.00 0.00 C ATOM 863 CH2 TRP A 66 12.058 -0.296 -1.063 1.00 0.00 C ATOM 0 H TRP A 66 4.846 1.803 0.517 1.00 0.00 H new ATOM 0 HA TRP A 66 7.125 1.335 -1.192 1.00 0.00 H new ATOM 0 HB2 TRP A 66 7.788 2.337 0.803 1.00 0.00 H new ATOM 0 HB3 TRP A 66 6.799 1.281 1.792 1.00 0.00 H new ATOM 0 HD1 TRP A 66 8.018 -0.881 2.737 1.00 0.00 H new ATOM 0 HE1 TRP A 66 10.238 -2.127 2.252 1.00 0.00 H new ATOM 0 HE3 TRP A 66 9.514 1.877 -1.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.330 -1.879 0.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 11.592 1.320 -2.344 1.00 0.00 H new ATOM 0 HH2 TRP A 66 12.977 -0.513 -1.587 1.00 0.00 H new ATOM 874 N ALA A 67 6.803 -1.077 -1.463 1.00 0.00 N ATOM 875 CA ALA A 67 6.715 -2.446 -1.708 1.00 0.00 C ATOM 876 C ALA A 67 8.111 -2.997 -1.804 1.00 0.00 C ATOM 877 O ALA A 67 8.988 -2.374 -2.401 1.00 0.00 O ATOM 878 CB ALA A 67 5.954 -2.707 -2.988 1.00 0.00 C ATOM 0 H ALA A 67 7.310 -0.565 -2.185 1.00 0.00 H new ATOM 0 HA ALA A 67 6.176 -2.936 -0.897 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.895 -3.781 -3.164 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.947 -2.297 -2.903 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.470 -2.231 -3.822 1.00 0.00 H new ATOM 884 N ARG A 68 8.326 -4.124 -1.232 1.00 0.00 N ATOM 885 CA ARG A 68 9.587 -4.766 -1.271 1.00 0.00 C ATOM 886 C ARG A 68 9.245 -6.191 -1.298 1.00 0.00 C ATOM 887 O ARG A 68 8.898 -6.768 -0.299 1.00 0.00 O ATOM 888 CB ARG A 68 10.462 -4.469 -0.046 1.00 0.00 C ATOM 889 CG ARG A 68 11.860 -5.047 -0.193 1.00 0.00 C ATOM 890 CD ARG A 68 12.748 -4.180 -1.086 1.00 0.00 C ATOM 891 NE ARG A 68 13.838 -4.960 -1.690 1.00 0.00 N ATOM 892 CZ ARG A 68 14.685 -4.496 -2.619 1.00 0.00 C ATOM 893 NH1 ARG A 68 14.813 -3.188 -2.797 1.00 0.00 N ATOM 894 NH2 ARG A 68 15.478 -5.331 -3.286 1.00 0.00 N ATOM 0 H ARG A 68 7.614 -4.637 -0.712 1.00 0.00 H new ATOM 0 HA ARG A 68 10.172 -4.423 -2.124 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.529 -3.391 0.099 1.00 0.00 H new ATOM 0 HB3 ARG A 68 9.990 -4.882 0.846 1.00 0.00 H new ATOM 0 HG2 ARG A 68 12.318 -5.142 0.791 1.00 0.00 H new ATOM 0 HG3 ARG A 68 11.795 -6.051 -0.612 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.143 -3.730 -1.873 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.167 -3.363 -0.499 1.00 0.00 H new ATOM 0 HE ARG A 68 13.958 -5.924 -1.379 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.268 -2.540 -2.228 1.00 0.00 H new ATOM 0 HH12 ARG A 68 15.456 -2.830 -3.503 1.00 0.00 H new ATOM 0 HH21 ARG A 68 15.444 -6.332 -3.092 1.00 0.00 H new ATOM 0 HH22 ARG A 68 16.120 -4.970 -3.992 1.00 0.00 H new ATOM 908 N TYR A 69 9.224 -6.715 -2.429 1.00 0.00 N ATOM 909 CA TYR A 69 8.746 -8.073 -2.621 1.00 0.00 C ATOM 910 C TYR A 69 9.823 -9.067 -2.230 1.00 0.00 C ATOM 911 O TYR A 69 10.977 -8.707 -2.071 1.00 0.00 O ATOM 912 CB TYR A 69 8.392 -8.369 -4.095 1.00 0.00 C ATOM 913 CG TYR A 69 7.836 -7.224 -4.895 1.00 0.00 C ATOM 914 CD1 TYR A 69 6.863 -6.432 -4.399 1.00 0.00 C ATOM 915 CD2 TYR A 69 8.317 -6.941 -6.151 1.00 0.00 C ATOM 916 CE1 TYR A 69 6.356 -5.383 -5.103 1.00 0.00 C ATOM 917 CE2 TYR A 69 7.821 -5.881 -6.881 1.00 0.00 C ATOM 918 CZ TYR A 69 6.833 -5.110 -6.353 1.00 0.00 C ATOM 919 OH TYR A 69 6.332 -4.052 -7.067 1.00 0.00 O ATOM 0 H TYR A 69 9.531 -6.248 -3.282 1.00 0.00 H new ATOM 0 HA TYR A 69 7.855 -8.170 -2.000 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.290 -8.730 -4.596 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.667 -9.183 -4.115 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.474 -6.637 -3.412 1.00 0.00 H new ATOM 0 HD2 TYR A 69 9.096 -7.559 -6.573 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.579 -4.768 -4.674 1.00 0.00 H new ATOM 0 HE2 TYR A 69 8.214 -5.665 -7.864 1.00 0.00 H new ATOM 0 HH TYR A 69 6.625 -3.212 -6.656 1.00 0.00 H new ATOM 929 N ALA A 70 9.430 -10.324 -2.116 1.00 0.00 N ATOM 930 CA ALA A 70 10.383 -11.412 -1.899 1.00 0.00 C ATOM 931 C ALA A 70 10.852 -11.922 -3.232 1.00 0.00 C ATOM 932 O ALA A 70 11.743 -12.754 -3.320 1.00 0.00 O ATOM 933 CB ALA A 70 9.795 -12.515 -1.041 1.00 0.00 C ATOM 0 H ALA A 70 8.456 -10.622 -2.170 1.00 0.00 H new ATOM 0 HA ALA A 70 11.241 -11.031 -1.345 1.00 0.00 H new ATOM 0 HB1 ALA A 70 10.535 -13.303 -0.904 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.513 -12.109 -0.069 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.913 -12.927 -1.532 1.00 0.00 H new ATOM 939 N PHE A 71 10.226 -11.412 -4.279 1.00 0.00 N ATOM 940 CA PHE A 71 10.753 -11.583 -5.600 1.00 0.00 C ATOM 941 C PHE A 71 11.997 -10.698 -5.651 1.00 0.00 C ATOM 942 O PHE A 71 12.942 -10.948 -6.376 1.00 0.00 O ATOM 943 CB PHE A 71 9.720 -11.166 -6.648 1.00 0.00 C ATOM 944 CG PHE A 71 8.448 -11.966 -6.583 1.00 0.00 C ATOM 945 CD1 PHE A 71 8.386 -13.232 -7.132 1.00 0.00 C ATOM 946 CD2 PHE A 71 7.320 -11.459 -5.963 1.00 0.00 C ATOM 947 CE1 PHE A 71 7.226 -13.975 -7.067 1.00 0.00 C ATOM 948 CE2 PHE A 71 6.158 -12.200 -5.895 1.00 0.00 C ATOM 949 CZ PHE A 71 6.110 -13.458 -6.447 1.00 0.00 C ATOM 0 H PHE A 71 9.357 -10.880 -4.229 1.00 0.00 H new ATOM 0 HA PHE A 71 10.998 -12.623 -5.818 1.00 0.00 H new ATOM 0 HB2 PHE A 71 9.484 -10.110 -6.515 1.00 0.00 H new ATOM 0 HB3 PHE A 71 10.157 -11.272 -7.641 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.257 -13.645 -7.618 1.00 0.00 H new ATOM 0 HD2 PHE A 71 7.349 -10.471 -5.527 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.193 -14.963 -7.502 1.00 0.00 H new ATOM 0 HE2 PHE A 71 5.285 -11.791 -5.408 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.201 -14.039 -6.395 1.00 0.00 H new ATOM 959 N GLY A 72 11.976 -9.689 -4.782 1.00 0.00 N ATOM 960 CA GLY A 72 13.108 -8.864 -4.524 1.00 0.00 C ATOM 961 C GLY A 72 13.172 -7.592 -5.337 1.00 0.00 C ATOM 962 O GLY A 72 14.220 -6.959 -5.443 1.00 0.00 O ATOM 0 H GLY A 72 11.150 -9.435 -4.240 1.00 0.00 H new ATOM 0 HA2 GLY A 72 13.113 -8.601 -3.466 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.011 -9.444 -4.713 1.00 0.00 H new ATOM 966 N GLN A 73 12.065 -7.219 -5.930 1.00 0.00 N ATOM 967 CA GLN A 73 11.964 -5.930 -6.596 1.00 0.00 C ATOM 968 C GLN A 73 11.349 -4.968 -5.596 1.00 0.00 C ATOM 969 O GLN A 73 10.711 -5.414 -4.612 1.00 0.00 O ATOM 970 CB GLN A 73 11.063 -5.968 -7.859 1.00 0.00 C ATOM 971 CG GLN A 73 11.528 -6.803 -9.054 1.00 0.00 C ATOM 972 CD GLN A 73 11.622 -8.293 -8.790 1.00 0.00 C ATOM 973 OE1 GLN A 73 10.528 -8.988 -8.933 1.00 0.00 O flip ATOM 974 NE2 GLN A 73 12.674 -8.806 -8.413 1.00 0.00 N flip ATOM 0 H GLN A 73 11.217 -7.785 -5.969 1.00 0.00 H new ATOM 0 HA GLN A 73 12.959 -5.629 -6.925 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.082 -6.336 -7.557 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.927 -4.942 -8.202 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.841 -6.638 -9.884 1.00 0.00 H new ATOM 0 HG3 GLN A 73 12.506 -6.442 -9.373 1.00 0.00 H new ATOM 0 HE21 GLN A 73 13.513 -8.234 -8.311 1.00 0.00 H new ATOM 0 HE22 GLN A 73 12.708 -9.803 -8.202 1.00 0.00 H new ATOM 983 N GLU A 74 11.508 -3.694 -5.800 1.00 0.00 N ATOM 984 CA GLU A 74 10.914 -2.754 -4.902 1.00 0.00 C ATOM 985 C GLU A 74 10.006 -1.785 -5.635 1.00 0.00 C ATOM 986 O GLU A 74 10.010 -1.715 -6.874 1.00 0.00 O ATOM 987 CB GLU A 74 11.951 -1.995 -4.061 1.00 0.00 C ATOM 988 CG GLU A 74 12.820 -1.007 -4.816 1.00 0.00 C ATOM 989 CD GLU A 74 13.796 -1.650 -5.777 1.00 0.00 C ATOM 990 OE1 GLU A 74 14.940 -1.956 -5.360 1.00 0.00 O ATOM 991 OE2 GLU A 74 13.448 -1.839 -6.964 1.00 0.00 O ATOM 0 H GLU A 74 12.038 -3.287 -6.571 1.00 0.00 H new ATOM 0 HA GLU A 74 10.309 -3.338 -4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.427 -1.458 -3.270 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.600 -2.724 -3.575 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.177 -0.324 -5.371 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.377 -0.406 -4.097 1.00 0.00 H new ATOM 998 N THR A 75 9.262 -1.058 -4.863 1.00 0.00 N ATOM 999 CA THR A 75 8.310 -0.099 -5.286 1.00 0.00 C ATOM 1000 C THR A 75 8.172 0.894 -4.152 1.00 0.00 C ATOM 1001 O THR A 75 8.177 0.502 -3.024 1.00 0.00 O ATOM 1002 CB THR A 75 6.946 -0.818 -5.550 1.00 0.00 C ATOM 1003 OG1 THR A 75 6.908 -1.466 -6.831 1.00 0.00 O ATOM 1004 CG2 THR A 75 5.724 0.063 -5.339 1.00 0.00 C ATOM 0 H THR A 75 9.314 -1.130 -3.847 1.00 0.00 H new ATOM 0 HA THR A 75 8.614 0.403 -6.204 1.00 0.00 H new ATOM 0 HB THR A 75 6.891 -1.590 -4.782 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.822 -1.648 -7.133 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.821 -0.512 -5.543 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.704 0.416 -4.308 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.770 0.917 -6.015 1.00 0.00 H new ATOM 1012 N ASN A 76 8.146 2.135 -4.450 1.00 0.00 N ATOM 1013 CA ASN A 76 7.902 3.167 -3.451 1.00 0.00 C ATOM 1014 C ASN A 76 7.119 4.273 -4.089 1.00 0.00 C ATOM 1015 O ASN A 76 7.691 5.208 -4.638 1.00 0.00 O ATOM 1016 CB ASN A 76 9.224 3.672 -2.771 1.00 0.00 C ATOM 1017 CG ASN A 76 10.432 3.816 -3.719 1.00 0.00 C ATOM 1018 OD1 ASN A 76 11.311 2.799 -3.745 1.00 0.00 O flip ATOM 1019 ND2 ASN A 76 10.621 4.850 -4.367 1.00 0.00 N flip ATOM 0 H ASN A 76 8.291 2.493 -5.394 1.00 0.00 H new ATOM 0 HA ASN A 76 7.317 2.744 -2.635 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.029 4.638 -2.306 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.490 2.981 -1.971 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.938 5.607 -4.330 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.460 4.947 -4.939 1.00 0.00 H new ATOM 1026 N VAL A 77 5.766 4.178 -4.057 1.00 0.00 N ATOM 1027 CA VAL A 77 5.021 5.152 -4.912 1.00 0.00 C ATOM 1028 C VAL A 77 3.620 5.610 -4.568 1.00 0.00 C ATOM 1029 O VAL A 77 2.770 4.824 -4.204 1.00 0.00 O ATOM 1030 CB VAL A 77 5.170 4.798 -6.384 1.00 0.00 C ATOM 1031 CG1 VAL A 77 4.883 3.325 -6.656 1.00 0.00 C ATOM 1032 CG2 VAL A 77 4.410 5.693 -7.367 1.00 0.00 C ATOM 0 H VAL A 77 5.211 3.516 -3.514 1.00 0.00 H new ATOM 0 HA VAL A 77 5.542 6.072 -4.646 1.00 0.00 H new ATOM 0 HB VAL A 77 6.223 4.998 -6.582 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.002 3.122 -7.720 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.579 2.708 -6.088 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.862 3.092 -6.354 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.589 5.349 -8.386 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.343 5.647 -7.150 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.757 6.721 -7.266 1.00 0.00 H new ATOM 1042 N PRO A 78 3.433 6.955 -4.664 1.00 0.00 N ATOM 1043 CA PRO A 78 2.158 7.646 -4.562 1.00 0.00 C ATOM 1044 C PRO A 78 1.096 6.954 -5.351 1.00 0.00 C ATOM 1045 O PRO A 78 1.115 6.914 -6.580 1.00 0.00 O ATOM 1046 CB PRO A 78 2.452 9.015 -5.153 1.00 0.00 C ATOM 1047 CG PRO A 78 3.880 9.242 -4.833 1.00 0.00 C ATOM 1048 CD PRO A 78 4.530 7.892 -4.866 1.00 0.00 C ATOM 0 HA PRO A 78 1.786 7.685 -3.538 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.276 9.032 -6.229 1.00 0.00 H new ATOM 0 HB3 PRO A 78 1.817 9.784 -4.714 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.340 9.914 -5.557 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.991 9.705 -3.852 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.032 7.716 -5.817 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.284 7.795 -4.085 1.00 0.00 H new ATOM 1056 N LEU A 79 0.215 6.384 -4.629 1.00 0.00 N ATOM 1057 CA LEU A 79 -0.868 5.629 -5.138 1.00 0.00 C ATOM 1058 C LEU A 79 -2.159 6.437 -4.975 1.00 0.00 C ATOM 1059 O LEU A 79 -3.268 5.907 -4.988 1.00 0.00 O ATOM 1060 CB LEU A 79 -0.853 4.266 -4.399 1.00 0.00 C ATOM 1061 CG LEU A 79 -0.874 4.237 -2.840 1.00 0.00 C ATOM 1062 CD1 LEU A 79 -2.154 4.799 -2.258 1.00 0.00 C ATOM 1063 CD2 LEU A 79 -0.697 2.817 -2.361 1.00 0.00 C ATOM 0 H LEU A 79 0.226 6.431 -3.610 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.791 5.423 -6.206 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.714 3.696 -4.748 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.038 3.728 -4.724 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.054 4.869 -2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.110 4.752 -1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.272 5.836 -2.572 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.003 4.214 -2.612 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.712 2.796 -1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.508 2.199 -2.747 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.257 2.429 -2.719 1.00 0.00 H new ATOM 1075 N ASN A 80 -1.960 7.755 -4.937 1.00 0.00 N ATOM 1076 CA ASN A 80 -2.983 8.777 -4.650 1.00 0.00 C ATOM 1077 C ASN A 80 -4.208 8.699 -5.532 1.00 0.00 C ATOM 1078 O ASN A 80 -5.308 9.043 -5.116 1.00 0.00 O ATOM 1079 CB ASN A 80 -2.341 10.185 -4.722 1.00 0.00 C ATOM 1080 CG ASN A 80 -3.335 11.345 -4.785 1.00 0.00 C ATOM 1081 OD1 ASN A 80 -3.748 11.780 -5.877 1.00 0.00 O ATOM 1082 ND2 ASN A 80 -3.707 11.872 -3.657 1.00 0.00 N ATOM 0 H ASN A 80 -1.042 8.164 -5.112 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.347 8.577 -3.642 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.701 10.321 -3.850 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.697 10.230 -5.600 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.353 12.662 -3.651 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.353 11.496 -2.777 1.00 0.00 H new ATOM 1089 N ASN A 81 -4.029 8.218 -6.688 1.00 0.00 N ATOM 1090 CA ASN A 81 -5.084 8.224 -7.680 1.00 0.00 C ATOM 1091 C ASN A 81 -5.971 6.992 -7.580 1.00 0.00 C ATOM 1092 O ASN A 81 -7.113 6.999 -8.048 1.00 0.00 O ATOM 1093 CB ASN A 81 -4.469 8.322 -9.063 1.00 0.00 C ATOM 1094 CG ASN A 81 -5.458 8.668 -10.127 1.00 0.00 C ATOM 1095 OD1 ASN A 81 -6.068 7.805 -10.756 1.00 0.00 O ATOM 1096 ND2 ASN A 81 -5.600 9.931 -10.360 1.00 0.00 N ATOM 0 H ASN A 81 -3.154 7.800 -7.004 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.720 9.089 -7.494 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.681 9.075 -9.050 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.997 7.371 -9.311 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -6.238 10.246 -11.090 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.074 10.613 -9.814 1.00 0.00 H new ATOM 1103 N PHE A 82 -5.486 5.968 -6.935 1.00 0.00 N ATOM 1104 CA PHE A 82 -6.204 4.748 -6.852 1.00 0.00 C ATOM 1105 C PHE A 82 -7.036 4.724 -5.600 1.00 0.00 C ATOM 1106 O PHE A 82 -6.667 5.286 -4.566 1.00 0.00 O ATOM 1107 CB PHE A 82 -5.268 3.540 -6.911 1.00 0.00 C ATOM 1108 CG PHE A 82 -4.428 3.450 -8.154 1.00 0.00 C ATOM 1109 CD1 PHE A 82 -4.937 2.887 -9.313 1.00 0.00 C ATOM 1110 CD2 PHE A 82 -3.121 3.916 -8.158 1.00 0.00 C ATOM 1111 CE1 PHE A 82 -4.161 2.793 -10.452 1.00 0.00 C ATOM 1112 CE2 PHE A 82 -2.341 3.826 -9.294 1.00 0.00 C ATOM 1113 CZ PHE A 82 -2.861 3.263 -10.443 1.00 0.00 C ATOM 0 H PHE A 82 -4.585 5.965 -6.457 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.867 4.684 -7.715 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -4.607 3.568 -6.045 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -5.865 2.632 -6.827 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.952 2.517 -9.326 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.709 4.355 -7.261 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.570 2.352 -11.349 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.326 4.195 -9.284 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.253 3.190 -11.333 1.00 0.00 H new ATOM 1123 N SER A 83 -8.161 4.142 -5.739 1.00 0.00 N ATOM 1124 CA SER A 83 -9.128 3.985 -4.686 1.00 0.00 C ATOM 1125 C SER A 83 -8.833 2.728 -3.836 1.00 0.00 C ATOM 1126 O SER A 83 -7.962 1.942 -4.195 1.00 0.00 O ATOM 1127 CB SER A 83 -10.489 3.916 -5.335 1.00 0.00 C ATOM 1128 OG SER A 83 -10.741 5.111 -6.076 1.00 0.00 O ATOM 0 H SER A 83 -8.464 3.737 -6.625 1.00 0.00 H new ATOM 0 HA SER A 83 -9.085 4.829 -3.997 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.542 3.051 -5.996 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.257 3.782 -4.573 1.00 0.00 H new ATOM 0 HG SER A 83 -11.625 5.056 -6.495 1.00 0.00 H new ATOM 1134 N ALA A 84 -9.591 2.552 -2.741 1.00 0.00 N ATOM 1135 CA ALA A 84 -9.405 1.478 -1.745 1.00 0.00 C ATOM 1136 C ALA A 84 -9.176 0.083 -2.361 1.00 0.00 C ATOM 1137 O ALA A 84 -8.100 -0.563 -2.205 1.00 0.00 O ATOM 1138 CB ALA A 84 -10.638 1.395 -0.881 1.00 0.00 C ATOM 0 H ALA A 84 -10.372 3.168 -2.516 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.510 1.740 -1.181 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.511 0.604 -0.141 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.791 2.347 -0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.505 1.174 -1.504 1.00 0.00 H new ATOM 1144 N ASP A 85 -10.183 -0.372 -3.067 1.00 0.00 N ATOM 1145 CA ASP A 85 -10.193 -1.708 -3.631 1.00 0.00 C ATOM 1146 C ASP A 85 -9.148 -1.815 -4.715 1.00 0.00 C ATOM 1147 O ASP A 85 -8.390 -2.801 -4.767 1.00 0.00 O ATOM 1148 CB ASP A 85 -11.592 -2.082 -4.152 1.00 0.00 C ATOM 1149 CG ASP A 85 -12.660 -2.076 -3.063 1.00 0.00 C ATOM 1150 OD1 ASP A 85 -13.163 -0.975 -2.701 1.00 0.00 O ATOM 1151 OD2 ASP A 85 -13.034 -3.151 -2.566 1.00 0.00 O ATOM 0 H ASP A 85 -11.022 0.172 -3.269 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.946 -2.422 -2.846 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.879 -1.383 -4.937 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.551 -3.072 -4.606 1.00 0.00 H new ATOM 1156 N GLN A 86 -9.072 -0.781 -5.553 1.00 0.00 N ATOM 1157 CA GLN A 86 -8.063 -0.707 -6.602 1.00 0.00 C ATOM 1158 C GLN A 86 -6.676 -0.785 -6.065 1.00 0.00 C ATOM 1159 O GLN A 86 -5.922 -1.560 -6.577 1.00 0.00 O ATOM 1160 CB GLN A 86 -8.234 0.505 -7.515 1.00 0.00 C ATOM 1161 CG GLN A 86 -8.768 0.165 -8.904 1.00 0.00 C ATOM 1162 CD GLN A 86 -7.794 -0.661 -9.756 1.00 0.00 C ATOM 1163 OE1 GLN A 86 -8.208 -1.468 -10.583 1.00 0.00 O ATOM 1164 NE2 GLN A 86 -6.511 -0.452 -9.590 1.00 0.00 N ATOM 0 H GLN A 86 -9.703 0.020 -5.522 1.00 0.00 H new ATOM 0 HA GLN A 86 -8.225 -1.591 -7.219 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.913 1.213 -7.039 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -7.272 1.007 -7.620 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -9.702 -0.387 -8.799 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -9.002 1.091 -9.430 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -6.190 0.224 -8.897 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.834 -0.965 -10.154 1.00 0.00 H new ATOM 1173 N VAL A 87 -6.330 -0.018 -5.030 1.00 0.00 N ATOM 1174 CA VAL A 87 -4.994 -0.136 -4.477 1.00 0.00 C ATOM 1175 C VAL A 87 -4.740 -1.539 -3.994 1.00 0.00 C ATOM 1176 O VAL A 87 -3.790 -2.128 -4.408 1.00 0.00 O ATOM 1177 CB VAL A 87 -4.578 0.919 -3.391 1.00 0.00 C ATOM 1178 CG1 VAL A 87 -4.466 2.299 -3.958 1.00 0.00 C ATOM 1179 CG2 VAL A 87 -5.500 0.937 -2.235 1.00 0.00 C ATOM 0 H VAL A 87 -6.936 0.666 -4.576 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.344 0.102 -5.319 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.595 0.602 -3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.176 2.994 -3.170 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.712 2.309 -4.745 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.428 2.601 -4.372 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.166 1.684 -1.515 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -6.505 1.185 -2.575 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.509 -0.045 -1.762 1.00 0.00 H new ATOM 1189 N THR A 88 -5.647 -2.122 -3.213 1.00 0.00 N ATOM 1190 CA THR A 88 -5.384 -3.473 -2.703 1.00 0.00 C ATOM 1191 C THR A 88 -5.186 -4.546 -3.782 1.00 0.00 C ATOM 1192 O THR A 88 -4.247 -5.389 -3.710 1.00 0.00 O ATOM 1193 CB THR A 88 -6.381 -3.904 -1.644 1.00 0.00 C ATOM 1194 OG1 THR A 88 -7.729 -3.665 -2.087 1.00 0.00 O ATOM 1195 CG2 THR A 88 -6.119 -3.139 -0.383 1.00 0.00 C ATOM 0 H THR A 88 -6.534 -1.706 -2.927 1.00 0.00 H new ATOM 0 HA THR A 88 -4.412 -3.386 -2.218 1.00 0.00 H new ATOM 0 HB THR A 88 -6.265 -4.972 -1.461 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.727 -3.458 -3.045 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.832 -3.444 0.383 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.106 -3.344 -0.037 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.228 -2.072 -0.576 1.00 0.00 H new ATOM 1203 N ARG A 89 -5.982 -4.464 -4.787 1.00 0.00 N ATOM 1204 CA ARG A 89 -5.927 -5.422 -5.867 1.00 0.00 C ATOM 1205 C ARG A 89 -4.750 -5.098 -6.770 1.00 0.00 C ATOM 1206 O ARG A 89 -4.021 -5.991 -7.157 1.00 0.00 O ATOM 1207 CB ARG A 89 -7.239 -5.452 -6.654 1.00 0.00 C ATOM 1208 CG ARG A 89 -7.295 -6.527 -7.729 1.00 0.00 C ATOM 1209 CD ARG A 89 -8.596 -6.468 -8.511 1.00 0.00 C ATOM 1210 NE ARG A 89 -8.735 -5.209 -9.261 1.00 0.00 N ATOM 1211 CZ ARG A 89 -9.871 -4.767 -9.828 1.00 0.00 C ATOM 1212 NH1 ARG A 89 -11.011 -5.428 -9.667 1.00 0.00 N ATOM 1213 NH2 ARG A 89 -9.866 -3.638 -10.517 1.00 0.00 N ATOM 0 H ARG A 89 -6.692 -3.740 -4.898 1.00 0.00 H new ATOM 0 HA ARG A 89 -5.787 -6.418 -5.447 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.064 -5.606 -5.958 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.393 -4.479 -7.120 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -6.454 -6.404 -8.411 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -7.191 -7.509 -7.268 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -8.641 -7.309 -9.203 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -9.436 -6.575 -7.825 1.00 0.00 H new ATOM 0 HE ARG A 89 -7.904 -4.626 -9.358 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -11.031 -6.281 -9.108 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -11.867 -5.083 -10.102 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -9.002 -3.105 -10.617 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -10.726 -3.300 -10.948 1.00 0.00 H new ATOM 1227 N ALA A 90 -4.548 -3.814 -7.074 1.00 0.00 N ATOM 1228 CA ALA A 90 -3.391 -3.386 -7.879 1.00 0.00 C ATOM 1229 C ALA A 90 -2.112 -3.734 -7.167 1.00 0.00 C ATOM 1230 O ALA A 90 -1.147 -4.071 -7.821 1.00 0.00 O ATOM 1231 CB ALA A 90 -3.425 -1.902 -8.206 1.00 0.00 C ATOM 0 H ALA A 90 -5.162 -3.055 -6.780 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.441 -3.922 -8.827 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.550 -1.640 -8.800 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.329 -1.675 -8.771 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.421 -1.325 -7.281 1.00 0.00 H new ATOM 1237 N LEU A 91 -2.113 -3.643 -5.811 1.00 0.00 N ATOM 1238 CA LEU A 91 -0.997 -4.138 -5.013 1.00 0.00 C ATOM 1239 C LEU A 91 -0.773 -5.556 -5.378 1.00 0.00 C ATOM 1240 O LEU A 91 0.258 -5.899 -5.888 1.00 0.00 O ATOM 1241 CB LEU A 91 -1.222 -4.073 -3.468 1.00 0.00 C ATOM 1242 CG LEU A 91 -0.662 -2.857 -2.694 1.00 0.00 C ATOM 1243 CD1 LEU A 91 -1.219 -1.543 -3.185 1.00 0.00 C ATOM 1244 CD2 LEU A 91 -0.922 -3.017 -1.208 1.00 0.00 C ATOM 0 H LEU A 91 -2.873 -3.234 -5.267 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.147 -3.492 -5.232 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.296 -4.116 -3.287 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.789 -4.973 -3.031 1.00 0.00 H new ATOM 0 HG LEU A 91 0.412 -2.832 -2.877 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.790 -0.726 -2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.967 -1.412 -4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.303 -1.541 -3.068 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.523 -2.155 -0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.995 -3.088 -1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.435 -3.923 -0.849 1.00 0.00 H new ATOM 1256 N GLU A 92 -1.787 -6.365 -5.204 1.00 0.00 N ATOM 1257 CA GLU A 92 -1.647 -7.804 -5.454 1.00 0.00 C ATOM 1258 C GLU A 92 -1.192 -8.083 -6.881 1.00 0.00 C ATOM 1259 O GLU A 92 -0.332 -8.941 -7.109 1.00 0.00 O ATOM 1260 CB GLU A 92 -2.930 -8.546 -5.115 1.00 0.00 C ATOM 1261 CG GLU A 92 -2.826 -10.050 -5.256 1.00 0.00 C ATOM 1262 CD GLU A 92 -4.064 -10.769 -4.824 1.00 0.00 C ATOM 1263 OE1 GLU A 92 -5.188 -10.324 -5.156 1.00 0.00 O ATOM 1264 OE2 GLU A 92 -3.942 -11.783 -4.119 1.00 0.00 O ATOM 0 H GLU A 92 -2.713 -6.071 -4.894 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.867 -8.181 -4.793 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.217 -8.306 -4.091 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.729 -8.185 -5.763 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.614 -10.297 -6.296 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.982 -10.406 -4.666 1.00 0.00 H new ATOM 1271 N ASN A 93 -1.739 -7.336 -7.793 1.00 0.00 N ATOM 1272 CA ASN A 93 -1.357 -7.375 -9.183 1.00 0.00 C ATOM 1273 C ASN A 93 0.151 -7.163 -9.295 1.00 0.00 C ATOM 1274 O ASN A 93 0.920 -8.131 -9.593 1.00 0.00 O ATOM 1275 CB ASN A 93 -2.147 -6.278 -9.955 1.00 0.00 C ATOM 1276 CG ASN A 93 -3.577 -6.675 -10.327 1.00 0.00 C ATOM 1277 OD1 ASN A 93 -4.177 -7.555 -9.573 1.00 0.00 O flip ATOM 1278 ND2 ASN A 93 -4.139 -6.176 -11.306 1.00 0.00 N flip ATOM 0 H ASN A 93 -2.481 -6.665 -7.592 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.596 -8.344 -9.622 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.180 -5.375 -9.346 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -1.603 -6.029 -10.866 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.649 -5.490 -11.880 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.093 -6.450 -11.541 1.00 0.00 H new ATOM 1285 N VAL A 94 0.585 -5.971 -8.911 1.00 0.00 N ATOM 1286 CA VAL A 94 1.965 -5.575 -9.015 1.00 0.00 C ATOM 1287 C VAL A 94 2.922 -6.437 -8.271 1.00 0.00 C ATOM 1288 O VAL A 94 3.967 -6.825 -8.809 1.00 0.00 O ATOM 1289 CB VAL A 94 2.249 -4.109 -8.672 1.00 0.00 C ATOM 1290 CG1 VAL A 94 1.662 -3.178 -9.708 1.00 0.00 C ATOM 1291 CG2 VAL A 94 1.808 -3.697 -7.273 1.00 0.00 C ATOM 0 H VAL A 94 -0.022 -5.253 -8.517 1.00 0.00 H new ATOM 0 HA VAL A 94 2.139 -5.712 -10.082 1.00 0.00 H new ATOM 0 HB VAL A 94 3.335 -4.020 -8.683 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.881 -2.146 -9.435 1.00 0.00 H new ATOM 0 HG12 VAL A 94 2.099 -3.396 -10.683 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.582 -3.320 -9.754 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.046 -2.646 -7.112 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.733 -3.846 -7.172 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.330 -4.304 -6.533 1.00 0.00 H new ATOM 1301 N LEU A 95 2.588 -6.785 -7.097 1.00 0.00 N ATOM 1302 CA LEU A 95 3.569 -7.420 -6.290 1.00 0.00 C ATOM 1303 C LEU A 95 3.546 -8.886 -6.277 1.00 0.00 C ATOM 1304 O LEU A 95 4.600 -9.506 -6.149 1.00 0.00 O ATOM 1305 CB LEU A 95 3.644 -6.805 -4.920 1.00 0.00 C ATOM 1306 CG LEU A 95 2.345 -6.595 -4.212 1.00 0.00 C ATOM 1307 CD1 LEU A 95 1.754 -7.862 -3.627 1.00 0.00 C ATOM 1308 CD2 LEU A 95 2.407 -5.464 -3.232 1.00 0.00 C ATOM 0 H LEU A 95 1.671 -6.651 -6.671 1.00 0.00 H new ATOM 0 HA LEU A 95 4.512 -7.214 -6.795 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.274 -7.438 -4.296 1.00 0.00 H new ATOM 0 HB3 LEU A 95 4.146 -5.841 -5.006 1.00 0.00 H new ATOM 0 HG LEU A 95 1.636 -6.294 -4.983 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.813 -7.628 -3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.574 -8.582 -4.425 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.450 -8.288 -2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.439 -5.352 -2.744 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.169 -5.674 -2.482 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.658 -4.542 -3.756 1.00 0.00 H new ATOM 1320 N SER A 96 2.415 -9.460 -6.386 1.00 0.00 N ATOM 1321 CA SER A 96 2.380 -10.862 -6.363 1.00 0.00 C ATOM 1322 C SER A 96 2.645 -11.417 -7.763 1.00 0.00 C ATOM 1323 O SER A 96 2.885 -12.623 -7.915 1.00 0.00 O ATOM 1324 CB SER A 96 1.086 -11.396 -5.742 1.00 0.00 C ATOM 1325 OG SER A 96 0.936 -10.928 -4.390 1.00 0.00 O ATOM 0 H SER A 96 1.516 -8.990 -6.490 1.00 0.00 H new ATOM 0 HA SER A 96 3.179 -11.218 -5.713 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.232 -11.076 -6.339 1.00 0.00 H new ATOM 0 HB3 SER A 96 1.094 -12.486 -5.755 1.00 0.00 H new ATOM 0 HG SER A 96 1.753 -11.121 -3.884 1.00 0.00 H new ATOM 1331 N GLY A 97 2.575 -10.560 -8.812 1.00 0.00 N ATOM 1332 CA GLY A 97 2.978 -11.082 -10.085 1.00 0.00 C ATOM 1333 C GLY A 97 3.241 -10.069 -11.163 1.00 0.00 C ATOM 1334 O GLY A 97 3.190 -10.426 -12.340 1.00 0.00 O ATOM 0 H GLY A 97 2.267 -9.588 -8.787 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.882 -11.673 -9.942 1.00 0.00 H new ATOM 0 HA3 GLY A 97 2.204 -11.764 -10.437 1.00 0.00 H new ATOM 1338 N LYS A 98 3.487 -8.805 -10.842 1.00 0.00 N ATOM 1339 CA LYS A 98 3.713 -7.894 -11.964 1.00 0.00 C ATOM 1340 C LYS A 98 5.170 -7.675 -12.155 1.00 0.00 C ATOM 1341 O LYS A 98 5.760 -8.028 -13.171 1.00 0.00 O ATOM 1342 CB LYS A 98 2.939 -6.577 -11.816 1.00 0.00 C ATOM 1343 CG LYS A 98 2.710 -5.753 -13.097 1.00 0.00 C ATOM 1344 CD LYS A 98 3.979 -5.125 -13.652 1.00 0.00 C ATOM 1345 CE LYS A 98 3.707 -4.358 -14.931 1.00 0.00 C ATOM 1346 NZ LYS A 98 3.206 -5.227 -16.023 1.00 0.00 N ATOM 0 H LYS A 98 3.534 -8.409 -9.903 1.00 0.00 H new ATOM 0 HA LYS A 98 3.318 -8.363 -12.865 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.966 -6.803 -11.380 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.471 -5.950 -11.100 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.270 -6.396 -13.859 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.986 -4.965 -12.888 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.409 -4.454 -12.909 1.00 0.00 H new ATOM 0 HD3 LYS A 98 4.718 -5.903 -13.844 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.976 -3.574 -14.732 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.623 -3.865 -15.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.245 -4.709 -16.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.798 -6.080 -16.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.223 -5.502 -15.824 1.00 0.00 H new ATOM 1360 N ALA A 99 5.714 -7.109 -11.178 1.00 0.00 N ATOM 1361 CA ALA A 99 7.093 -6.702 -11.158 1.00 0.00 C ATOM 1362 C ALA A 99 7.974 -7.804 -10.595 1.00 0.00 C ATOM 1363 O ALA A 99 8.626 -8.538 -11.383 1.00 0.00 O ATOM 1364 CB ALA A 99 7.227 -5.418 -10.361 1.00 0.00 C ATOM 1365 OXT ALA A 99 7.995 -7.991 -9.373 1.00 0.00 O ATOM 0 H ALA A 99 5.215 -6.892 -10.315 1.00 0.00 H new ATOM 0 HA ALA A 99 7.429 -6.514 -12.178 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.272 -5.107 -10.344 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.624 -4.637 -10.824 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.882 -5.585 -9.341 1.00 0.00 H new TER 1371 ALA A 99