USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 811 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 Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.0337 K(o=-0.034,f=-5.8!) USER MOD Single : A 27 THR OG1 : rot 44:sc= 0.0146 USER MOD Single : A 37 LYS NZ :NH3+ -130:sc= -0.156 (180deg=-0.903) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -164:sc=-0.00717 (180deg=-0.129) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -1.31 K(o=-1.3,f=-6.1!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.253 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 62 LYS NZ :NH3+ -135:sc= 0.705 (180deg=0.223) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.26 K(o=-0.26,f=-2.3!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -3.15 K(o=-3.2,f=-14!) USER MOD Single : A 83 SER OG : rot 18:sc= 1.07 USER MOD Single : A 92 GLN : amide:sc=-0.00887 K(o=-0.0089,f=-0.93) USER MOD Single : A 100 GLN : amide:sc= -0.0421 K(o=-0.042,f=-0.88) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.36 K(o=-0.36,f=-2!) USER MOD Single : A 105 ASN : amide:sc= -2.63 K(o=-2.6,f=-15!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 161:sc= -0.149 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 43:sc= 0.693 USER MOD Single : A 112 ASN : amide:sc= -3.56! C(o=-3.6!,f=-5.9!) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc=-0.00798 X(o=-0.008,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 21 2.653 -7.457 -12.916 1.00 0.00 N ATOM 2 CA ALA A 21 3.636 -7.776 -13.984 1.00 0.00 C ATOM 3 C ALA A 21 4.808 -6.801 -13.949 1.00 0.00 C ATOM 4 O ALA A 21 5.954 -7.197 -13.744 1.00 0.00 O ATOM 5 CB ALA A 21 2.961 -7.752 -15.339 1.00 0.00 C ATOM 0 HA ALA A 21 4.026 -8.778 -13.807 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.691 -7.987 -16.113 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.160 -8.491 -15.359 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.546 -6.761 -15.521 1.00 0.00 H new ATOM 13 N MET A 22 4.512 -5.523 -14.172 1.00 0.00 N ATOM 14 CA MET A 22 5.542 -4.491 -14.163 1.00 0.00 C ATOM 15 C MET A 22 5.875 -4.058 -12.739 1.00 0.00 C ATOM 16 O MET A 22 5.311 -4.576 -11.775 1.00 0.00 O ATOM 17 CB MET A 22 5.084 -3.282 -14.981 1.00 0.00 C ATOM 18 CG MET A 22 5.447 -3.371 -16.454 1.00 0.00 C ATOM 19 SD MET A 22 7.133 -2.825 -16.787 1.00 0.00 S ATOM 20 CE MET A 22 6.843 -1.146 -17.338 1.00 0.00 C ATOM 0 H MET A 22 3.570 -5.179 -14.360 1.00 0.00 H new ATOM 0 HA MET A 22 6.442 -4.910 -14.612 1.00 0.00 H new ATOM 0 HB2 MET A 22 4.003 -3.179 -14.887 1.00 0.00 H new ATOM 0 HB3 MET A 22 5.528 -2.380 -14.560 1.00 0.00 H new ATOM 0 HG2 MET A 22 5.329 -4.401 -16.792 1.00 0.00 H new ATOM 0 HG3 MET A 22 4.751 -2.764 -17.033 1.00 0.00 H new ATOM 0 HE1 MET A 22 7.795 -0.674 -17.582 1.00 0.00 H new ATOM 0 HE2 MET A 22 6.206 -1.158 -18.223 1.00 0.00 H new ATOM 0 HE3 MET A 22 6.351 -0.583 -16.545 1.00 0.00 H new ATOM 30 N ALA A 23 6.794 -3.106 -12.614 1.00 0.00 N ATOM 31 CA ALA A 23 7.199 -2.606 -11.307 1.00 0.00 C ATOM 32 C ALA A 23 8.182 -1.448 -11.448 1.00 0.00 C ATOM 33 O ALA A 23 8.843 -1.297 -12.467 1.00 0.00 O ATOM 34 CB ALA A 23 7.810 -3.726 -10.478 1.00 0.00 C ATOM 0 H ALA A 23 7.271 -2.666 -13.401 1.00 0.00 H new ATOM 0 HA ALA A 23 6.312 -2.236 -10.793 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.108 -3.337 -9.504 1.00 0.00 H new ATOM 0 HB2 ALA A 23 7.076 -4.520 -10.343 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.685 -4.124 -10.993 1.00 0.00 H new ATOM 40 N GLN A 24 8.271 -0.633 -10.394 1.00 0.00 N ATOM 41 CA GLN A 24 9.172 0.513 -10.391 1.00 0.00 C ATOM 42 C GLN A 24 10.197 0.396 -9.267 1.00 0.00 C ATOM 43 O GLN A 24 9.988 -0.330 -8.304 1.00 0.00 O ATOM 44 CB GLN A 24 8.380 1.812 -10.238 1.00 0.00 C ATOM 45 CG GLN A 24 7.244 1.955 -11.238 1.00 0.00 C ATOM 46 CD GLN A 24 7.730 2.345 -12.628 1.00 0.00 C ATOM 47 OE1 GLN A 24 7.490 1.638 -13.599 1.00 0.00 O ATOM 48 NE2 GLN A 24 8.418 3.479 -12.707 1.00 0.00 N ATOM 0 H GLN A 24 7.731 -0.748 -9.537 1.00 0.00 H new ATOM 0 HA GLN A 24 9.702 0.528 -11.344 1.00 0.00 H new ATOM 0 HB2 GLN A 24 7.972 1.862 -9.228 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.059 2.657 -10.350 1.00 0.00 H new ATOM 0 HG2 GLN A 24 6.699 1.013 -11.299 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.542 2.707 -10.879 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.590 4.031 -11.867 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.774 3.798 -13.608 1.00 0.00 H new ATOM 57 N ASN A 25 11.304 1.118 -9.405 1.00 0.00 N ATOM 58 CA ASN A 25 12.360 1.096 -8.399 1.00 0.00 C ATOM 59 C ASN A 25 12.521 2.468 -7.751 1.00 0.00 C ATOM 60 O ASN A 25 13.135 3.368 -8.332 1.00 0.00 O ATOM 61 CB ASN A 25 13.685 0.658 -9.027 1.00 0.00 C ATOM 62 CG ASN A 25 13.992 1.403 -10.311 1.00 0.00 C ATOM 63 OD1 ASN A 25 13.278 2.331 -10.690 1.00 0.00 O ATOM 64 ND2 ASN A 25 15.061 0.998 -10.989 1.00 0.00 N ATOM 0 H ASN A 25 11.493 1.725 -10.203 1.00 0.00 H new ATOM 0 HA ASN A 25 12.078 0.379 -7.628 1.00 0.00 H new ATOM 0 HB2 ASN A 25 14.493 0.821 -8.314 1.00 0.00 H new ATOM 0 HB3 ASN A 25 13.651 -0.412 -9.231 1.00 0.00 H new ATOM 0 HD21 ASN A 25 15.318 1.461 -11.861 1.00 0.00 H new ATOM 0 HD22 ASN A 25 15.625 0.224 -10.638 1.00 0.00 H new ATOM 71 N ILE A 26 11.965 2.620 -6.555 1.00 0.00 N ATOM 72 CA ILE A 26 12.046 3.883 -5.830 1.00 0.00 C ATOM 73 C ILE A 26 12.939 3.752 -4.601 1.00 0.00 C ATOM 74 O ILE A 26 12.869 2.763 -3.880 1.00 0.00 O ATOM 75 CB ILE A 26 10.653 4.372 -5.389 1.00 0.00 C ATOM 76 CG1 ILE A 26 9.677 4.345 -6.576 1.00 0.00 C ATOM 77 CG2 ILE A 26 10.746 5.774 -4.812 1.00 0.00 C ATOM 78 CD1 ILE A 26 8.323 3.771 -6.217 1.00 0.00 C ATOM 0 H ILE A 26 11.453 1.885 -6.067 1.00 0.00 H new ATOM 0 HA ILE A 26 12.476 4.613 -6.515 1.00 0.00 H new ATOM 0 HB ILE A 26 10.277 3.702 -4.616 1.00 0.00 H new ATOM 0 HG12 ILE A 26 9.547 5.359 -6.955 1.00 0.00 H new ATOM 0 HG13 ILE A 26 10.112 3.756 -7.384 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.755 6.107 -4.504 1.00 0.00 H new ATOM 0 HG22 ILE A 26 11.411 5.769 -3.949 1.00 0.00 H new ATOM 0 HG23 ILE A 26 11.139 6.453 -5.568 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.679 3.779 -7.097 1.00 0.00 H new ATOM 0 HD12 ILE A 26 8.444 2.746 -5.865 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.869 4.374 -5.430 1.00 0.00 H new ATOM 90 N THR A 27 13.776 4.759 -4.377 1.00 0.00 N ATOM 91 CA THR A 27 14.683 4.757 -3.235 1.00 0.00 C ATOM 92 C THR A 27 14.069 5.499 -2.053 1.00 0.00 C ATOM 93 O THR A 27 13.650 6.650 -2.177 1.00 0.00 O ATOM 94 CB THR A 27 16.021 5.395 -3.614 1.00 0.00 C ATOM 95 OG1 THR A 27 15.820 6.553 -4.407 1.00 0.00 O ATOM 96 CG2 THR A 27 16.932 4.462 -4.383 1.00 0.00 C ATOM 0 H THR A 27 13.845 5.586 -4.970 1.00 0.00 H new ATOM 0 HA THR A 27 14.855 3.721 -2.943 1.00 0.00 H new ATOM 0 HB THR A 27 16.500 5.645 -2.667 1.00 0.00 H new ATOM 0 HG1 THR A 27 15.096 7.091 -4.023 1.00 0.00 H new ATOM 0 HG21 THR A 27 17.863 4.977 -4.620 1.00 0.00 H new ATOM 0 HG22 THR A 27 17.148 3.582 -3.776 1.00 0.00 H new ATOM 0 HG23 THR A 27 16.442 4.154 -5.307 1.00 0.00 H new ATOM 104 N ALA A 28 14.017 4.828 -0.907 1.00 0.00 N ATOM 105 CA ALA A 28 13.454 5.418 0.286 1.00 0.00 C ATOM 106 C ALA A 28 14.445 5.358 1.452 1.00 0.00 C ATOM 107 O ALA A 28 15.412 4.596 1.411 1.00 0.00 O ATOM 108 CB ALA A 28 12.160 4.712 0.661 1.00 0.00 C ATOM 0 H ALA A 28 14.360 3.875 -0.787 1.00 0.00 H new ATOM 0 HA ALA A 28 13.240 6.466 0.076 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.746 5.166 1.561 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.444 4.807 -0.155 1.00 0.00 H new ATOM 0 HB3 ALA A 28 12.362 3.657 0.846 1.00 0.00 H new ATOM 114 N ARG A 29 14.196 6.168 2.476 1.00 0.00 N ATOM 115 CA ARG A 29 15.064 6.213 3.648 1.00 0.00 C ATOM 116 C ARG A 29 14.346 5.667 4.880 1.00 0.00 C ATOM 117 O ARG A 29 13.157 5.916 5.071 1.00 0.00 O ATOM 118 CB ARG A 29 15.526 7.650 3.895 1.00 0.00 C ATOM 119 CG ARG A 29 16.432 7.797 5.106 1.00 0.00 C ATOM 120 CD ARG A 29 16.367 9.205 5.684 1.00 0.00 C ATOM 121 NE ARG A 29 16.911 9.273 7.030 1.00 0.00 N ATOM 122 CZ ARG A 29 18.212 9.342 7.312 1.00 0.00 C ATOM 123 NH1 ARG A 29 19.106 9.350 6.322 1.00 0.00 N ATOM 124 NH2 ARG A 29 18.622 9.402 8.572 1.00 0.00 N ATOM 0 H ARG A 29 13.399 6.803 2.518 1.00 0.00 H new ATOM 0 HA ARG A 29 15.934 5.584 3.460 1.00 0.00 H new ATOM 0 HB2 ARG A 29 16.053 8.011 3.011 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.651 8.287 4.027 1.00 0.00 H new ATOM 0 HG2 ARG A 29 16.141 7.075 5.869 1.00 0.00 H new ATOM 0 HG3 ARG A 29 17.459 7.565 4.824 1.00 0.00 H new ATOM 0 HD2 ARG A 29 16.918 9.887 5.037 1.00 0.00 H new ATOM 0 HD3 ARG A 29 15.331 9.543 5.695 1.00 0.00 H new ATOM 0 HE ARG A 29 16.254 9.268 7.810 1.00 0.00 H new ATOM 0 HH11 ARG A 29 18.793 9.303 5.352 1.00 0.00 H new ATOM 0 HH12 ARG A 29 20.102 9.403 6.535 1.00 0.00 H new ATOM 0 HH21 ARG A 29 17.941 9.395 9.331 1.00 0.00 H new ATOM 0 HH22 ARG A 29 19.619 9.455 8.782 1.00 0.00 H new ATOM 138 N ILE A 30 15.078 4.919 5.694 1.00 0.00 N ATOM 139 CA ILE A 30 14.508 4.335 6.907 1.00 0.00 C ATOM 140 C ILE A 30 14.186 5.407 7.943 1.00 0.00 C ATOM 141 O ILE A 30 14.976 6.322 8.180 1.00 0.00 O ATOM 142 CB ILE A 30 15.451 3.293 7.549 1.00 0.00 C ATOM 143 CG1 ILE A 30 16.912 3.740 7.443 1.00 0.00 C ATOM 144 CG2 ILE A 30 15.262 1.932 6.898 1.00 0.00 C ATOM 145 CD1 ILE A 30 17.715 3.486 8.708 1.00 0.00 C ATOM 0 H ILE A 30 16.063 4.701 5.541 1.00 0.00 H new ATOM 0 HA ILE A 30 13.589 3.837 6.598 1.00 0.00 H new ATOM 0 HB ILE A 30 15.197 3.211 8.606 1.00 0.00 H new ATOM 0 HG12 ILE A 30 17.384 3.218 6.611 1.00 0.00 H new ATOM 0 HG13 ILE A 30 16.942 4.804 7.210 1.00 0.00 H new ATOM 0 HG21 ILE A 30 15.934 1.210 7.362 1.00 0.00 H new ATOM 0 HG22 ILE A 30 14.231 1.605 7.031 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.486 2.004 5.834 1.00 0.00 H new ATOM 0 HD11 ILE A 30 18.740 3.826 8.563 1.00 0.00 H new ATOM 0 HD12 ILE A 30 17.266 4.030 9.539 1.00 0.00 H new ATOM 0 HD13 ILE A 30 17.715 2.419 8.931 1.00 0.00 H new ATOM 157 N GLY A 31 13.019 5.281 8.570 1.00 0.00 N ATOM 158 CA GLY A 31 12.608 6.240 9.588 1.00 0.00 C ATOM 159 C GLY A 31 12.134 7.558 8.993 1.00 0.00 C ATOM 160 O GLY A 31 11.791 8.482 9.740 1.00 0.00 O ATOM 0 H GLY A 31 12.349 4.533 8.393 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.807 5.807 10.187 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.444 6.429 10.262 1.00 0.00 H new ATOM 164 N GLU A 32 12.113 7.653 7.666 1.00 0.00 N ATOM 165 CA GLU A 32 11.677 8.873 6.997 1.00 0.00 C ATOM 166 C GLU A 32 10.213 8.772 6.569 1.00 0.00 C ATOM 167 O GLU A 32 9.764 7.718 6.122 1.00 0.00 O ATOM 168 CB GLU A 32 12.556 9.144 5.775 1.00 0.00 C ATOM 169 CG GLU A 32 12.662 10.617 5.424 1.00 0.00 C ATOM 170 CD GLU A 32 13.291 11.442 6.521 1.00 0.00 C ATOM 171 OE1 GLU A 32 14.538 11.520 6.576 1.00 0.00 O ATOM 172 OE2 GLU A 32 12.539 12.010 7.339 1.00 0.00 O ATOM 0 H GLU A 32 12.392 6.902 7.035 1.00 0.00 H new ATOM 0 HA GLU A 32 11.773 9.698 7.702 1.00 0.00 H new ATOM 0 HB2 GLU A 32 13.555 8.749 5.960 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.153 8.602 4.919 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.250 10.726 4.513 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.667 11.006 5.210 1.00 0.00 H new ATOM 179 N PRO A 33 9.444 9.872 6.704 1.00 0.00 N ATOM 180 CA PRO A 33 8.030 9.895 6.320 1.00 0.00 C ATOM 181 C PRO A 33 7.853 9.824 4.798 1.00 0.00 C ATOM 182 O PRO A 33 8.574 10.484 4.051 1.00 0.00 O ATOM 183 CB PRO A 33 7.518 11.243 6.846 1.00 0.00 C ATOM 184 CG PRO A 33 8.604 11.770 7.726 1.00 0.00 C ATOM 185 CD PRO A 33 9.882 11.174 7.215 1.00 0.00 C ATOM 0 HA PRO A 33 7.489 9.040 6.726 1.00 0.00 H new ATOM 0 HB2 PRO A 33 7.310 11.930 6.026 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.589 11.119 7.402 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.640 12.859 7.690 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.433 11.491 8.766 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.331 11.786 6.433 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.626 11.070 8.005 1.00 0.00 H new ATOM 193 N LEU A 34 6.892 9.021 4.350 1.00 0.00 N ATOM 194 CA LEU A 34 6.633 8.872 2.922 1.00 0.00 C ATOM 195 C LEU A 34 5.137 8.884 2.629 1.00 0.00 C ATOM 196 O LEU A 34 4.347 8.271 3.347 1.00 0.00 O ATOM 197 CB LEU A 34 7.256 7.574 2.402 1.00 0.00 C ATOM 198 CG LEU A 34 8.706 7.699 1.930 1.00 0.00 C ATOM 199 CD1 LEU A 34 9.657 7.707 3.118 1.00 0.00 C ATOM 200 CD2 LEU A 34 9.051 6.567 0.974 1.00 0.00 C ATOM 0 H LEU A 34 6.283 8.466 4.952 1.00 0.00 H new ATOM 0 HA LEU A 34 7.088 9.719 2.409 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.210 6.824 3.192 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.651 7.204 1.575 1.00 0.00 H new ATOM 0 HG LEU A 34 8.817 8.645 1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.683 7.797 2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.423 8.552 3.766 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.547 6.779 3.678 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.086 6.670 0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.924 5.611 1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.391 6.608 0.108 1.00 0.00 H new ATOM 212 N VAL A 35 4.756 9.584 1.572 1.00 0.00 N ATOM 213 CA VAL A 35 3.356 9.678 1.166 1.00 0.00 C ATOM 214 C VAL A 35 3.169 9.224 -0.262 1.00 0.00 C ATOM 215 O VAL A 35 4.005 9.502 -1.121 1.00 0.00 O ATOM 216 CB VAL A 35 2.822 11.115 1.315 1.00 0.00 C ATOM 217 CG1 VAL A 35 1.326 11.162 1.042 1.00 0.00 C ATOM 218 CG2 VAL A 35 3.134 11.662 2.701 1.00 0.00 C ATOM 0 H VAL A 35 5.400 10.101 0.973 1.00 0.00 H new ATOM 0 HA VAL A 35 2.791 9.021 1.827 1.00 0.00 H new ATOM 0 HB VAL A 35 3.323 11.745 0.579 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.968 12.186 1.152 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.130 10.817 0.027 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.806 10.517 1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.749 12.678 2.786 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.664 11.031 3.455 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.213 11.669 2.855 1.00 0.00 H new ATOM 228 N LEU A 36 2.070 8.523 -0.523 1.00 0.00 N ATOM 229 CA LEU A 36 1.781 8.032 -1.867 1.00 0.00 C ATOM 230 C LEU A 36 0.281 8.047 -2.152 1.00 0.00 C ATOM 231 O LEU A 36 -0.531 7.893 -1.240 1.00 0.00 O ATOM 232 CB LEU A 36 2.333 6.616 -2.043 1.00 0.00 C ATOM 233 CG LEU A 36 3.509 6.499 -3.024 1.00 0.00 C ATOM 234 CD1 LEU A 36 4.003 5.062 -3.085 1.00 0.00 C ATOM 235 CD2 LEU A 36 3.107 6.993 -4.398 1.00 0.00 C ATOM 0 H LEU A 36 1.367 8.283 0.176 1.00 0.00 H new ATOM 0 HA LEU A 36 2.268 8.698 -2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.652 6.242 -1.070 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.527 5.967 -2.385 1.00 0.00 H new ATOM 0 HG LEU A 36 4.326 7.126 -2.667 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.837 4.993 -3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.333 4.748 -2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.194 4.413 -3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.953 6.902 -5.079 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.275 6.395 -4.771 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.803 8.038 -4.334 1.00 0.00 H new ATOM 247 N LYS A 37 -0.078 8.233 -3.411 1.00 0.00 N ATOM 248 CA LYS A 37 -1.479 8.268 -3.820 1.00 0.00 C ATOM 249 C LYS A 37 -1.830 7.058 -4.680 1.00 0.00 C ATOM 250 O LYS A 37 -1.216 6.825 -5.714 1.00 0.00 O ATOM 251 CB LYS A 37 -1.781 9.557 -4.578 1.00 0.00 C ATOM 252 CG LYS A 37 -1.341 10.816 -3.845 1.00 0.00 C ATOM 253 CD LYS A 37 -0.335 11.615 -4.657 1.00 0.00 C ATOM 254 CE LYS A 37 -0.996 12.306 -5.838 1.00 0.00 C ATOM 255 NZ LYS A 37 -0.809 11.545 -7.112 1.00 0.00 N ATOM 0 H LYS A 37 0.584 8.363 -4.176 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.092 8.236 -2.919 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.287 9.521 -5.549 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.853 9.614 -4.768 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.212 11.436 -3.632 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.901 10.544 -2.886 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.141 12.359 -4.018 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.453 10.953 -5.016 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.061 12.423 -5.639 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.581 13.308 -5.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.459 12.187 -7.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.120 10.781 -6.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.718 11.137 -7.410 1.00 0.00 H new ATOM 269 N CYS A 38 -2.822 6.292 -4.231 1.00 0.00 N ATOM 270 CA CYS A 38 -3.257 5.106 -4.962 1.00 0.00 C ATOM 271 C CYS A 38 -4.695 5.266 -5.446 1.00 0.00 C ATOM 272 O CYS A 38 -5.643 5.038 -4.700 1.00 0.00 O ATOM 273 CB CYS A 38 -3.135 3.863 -4.077 1.00 0.00 C ATOM 274 SG CYS A 38 -2.327 2.448 -4.900 1.00 0.00 S ATOM 0 H CYS A 38 -3.337 6.471 -3.369 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.612 4.986 -5.832 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.571 4.121 -3.181 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.130 3.562 -3.751 1.00 0.00 H new ATOM 279 N LYS A 39 -4.852 5.659 -6.706 1.00 0.00 N ATOM 280 CA LYS A 39 -6.174 5.851 -7.290 1.00 0.00 C ATOM 281 C LYS A 39 -6.991 4.564 -7.236 1.00 0.00 C ATOM 282 O LYS A 39 -6.438 3.465 -7.212 1.00 0.00 O ATOM 283 CB LYS A 39 -6.051 6.322 -8.748 1.00 0.00 C ATOM 284 CG LYS A 39 -5.451 5.281 -9.680 1.00 0.00 C ATOM 285 CD LYS A 39 -6.502 4.682 -10.595 1.00 0.00 C ATOM 286 CE LYS A 39 -6.961 3.318 -10.107 1.00 0.00 C ATOM 287 NZ LYS A 39 -7.546 2.503 -11.206 1.00 0.00 N ATOM 0 H LYS A 39 -4.079 5.851 -7.343 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.688 6.614 -6.706 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.039 6.599 -9.115 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.436 7.221 -8.779 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.664 5.738 -10.279 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.986 4.490 -9.092 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.358 5.354 -10.655 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.097 4.591 -11.603 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.116 2.785 -9.670 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.700 3.445 -9.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.847 1.580 -10.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.368 2.999 -11.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.833 2.359 -11.949 1.00 0.00 H new ATOM 301 N GLY A 40 -8.312 4.711 -7.205 1.00 0.00 N ATOM 302 CA GLY A 40 -9.187 3.556 -7.156 1.00 0.00 C ATOM 303 C GLY A 40 -10.426 3.813 -6.314 1.00 0.00 C ATOM 304 O GLY A 40 -11.504 4.065 -6.851 1.00 0.00 O ATOM 0 H GLY A 40 -8.792 5.611 -7.213 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.487 3.286 -8.168 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.641 2.705 -6.747 1.00 0.00 H new ATOM 308 N ALA A 41 -10.271 3.748 -5.004 1.00 0.00 N ATOM 309 CA ALA A 41 -11.382 3.975 -4.092 1.00 0.00 C ATOM 310 C ALA A 41 -11.769 5.453 -4.045 1.00 0.00 C ATOM 311 O ALA A 41 -10.952 6.303 -3.690 1.00 0.00 O ATOM 312 CB ALA A 41 -11.027 3.483 -2.689 1.00 0.00 C ATOM 0 H ALA A 41 -9.384 3.539 -4.545 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.238 3.411 -4.463 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.868 3.660 -2.018 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.807 2.416 -2.722 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.153 4.022 -2.325 1.00 0.00 H new ATOM 318 N PRO A 42 -13.022 5.784 -4.409 1.00 0.00 N ATOM 319 CA PRO A 42 -13.501 7.170 -4.416 1.00 0.00 C ATOM 320 C PRO A 42 -13.279 7.857 -3.065 1.00 0.00 C ATOM 321 O PRO A 42 -12.912 7.216 -2.081 1.00 0.00 O ATOM 322 CB PRO A 42 -14.998 7.034 -4.698 1.00 0.00 C ATOM 323 CG PRO A 42 -15.128 5.737 -5.417 1.00 0.00 C ATOM 324 CD PRO A 42 -14.067 4.839 -4.846 1.00 0.00 C ATOM 0 HA PRO A 42 -12.972 7.780 -5.148 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -15.577 7.035 -3.775 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -15.364 7.862 -5.305 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -16.120 5.309 -5.273 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -14.990 5.870 -6.490 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -14.447 4.246 -4.014 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.690 4.138 -5.591 1.00 0.00 H new ATOM 332 N LYS A 43 -13.504 9.168 -3.040 1.00 0.00 N ATOM 333 CA LYS A 43 -13.328 9.941 -1.816 1.00 0.00 C ATOM 334 C LYS A 43 -14.235 9.426 -0.694 1.00 0.00 C ATOM 335 O LYS A 43 -13.976 9.654 0.471 1.00 0.00 O ATOM 336 CB LYS A 43 -13.612 11.421 -2.069 1.00 0.00 C ATOM 337 CG LYS A 43 -13.247 12.326 -0.903 1.00 0.00 C ATOM 338 CD LYS A 43 -13.306 13.793 -1.295 1.00 0.00 C ATOM 339 CE LYS A 43 -13.484 14.688 -0.079 1.00 0.00 C ATOM 340 NZ LYS A 43 -14.862 14.603 0.462 1.00 0.00 N ATOM 0 H LYS A 43 -13.806 9.713 -3.847 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.291 9.823 -1.502 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.059 11.741 -2.952 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.671 11.544 -2.294 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.928 12.143 -0.072 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.244 12.082 -0.552 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.391 14.068 -1.819 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.131 13.952 -1.989 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.771 14.400 0.693 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.262 15.720 -0.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.034 15.404 1.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.545 14.634 -0.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.975 13.711 0.985 1.00 0.00 H new ATOM 354 N LYS A 44 -15.300 8.731 -1.078 1.00 0.00 N ATOM 355 CA LYS A 44 -16.245 8.183 -0.120 1.00 0.00 C ATOM 356 C LYS A 44 -15.855 6.761 0.267 1.00 0.00 C ATOM 357 O LYS A 44 -15.103 6.095 -0.427 1.00 0.00 O ATOM 358 CB LYS A 44 -17.661 8.192 -0.691 1.00 0.00 C ATOM 359 CG LYS A 44 -18.198 9.588 -0.972 1.00 0.00 C ATOM 360 CD LYS A 44 -19.704 9.573 -1.173 1.00 0.00 C ATOM 361 CE LYS A 44 -20.117 10.489 -2.315 1.00 0.00 C ATOM 362 NZ LYS A 44 -21.180 9.880 -3.168 1.00 0.00 N ATOM 0 H LYS A 44 -15.529 8.535 -2.052 1.00 0.00 H new ATOM 0 HA LYS A 44 -16.221 8.811 0.771 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -17.674 7.614 -1.615 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -18.329 7.689 0.009 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -17.947 10.250 -0.143 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -17.715 9.993 -1.861 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -20.035 8.556 -1.382 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -20.199 9.887 -0.254 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -20.476 11.434 -1.909 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -19.246 10.717 -2.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -21.431 10.538 -3.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -20.829 8.991 -3.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -22.022 9.686 -2.588 1.00 0.00 H new ATOM 376 N PRO A 45 -16.365 6.276 1.413 1.00 0.00 N ATOM 377 CA PRO A 45 -16.067 4.925 1.908 1.00 0.00 C ATOM 378 C PRO A 45 -16.310 3.858 0.833 1.00 0.00 C ATOM 379 O PRO A 45 -17.444 3.654 0.399 1.00 0.00 O ATOM 380 CB PRO A 45 -17.040 4.745 3.066 1.00 0.00 C ATOM 381 CG PRO A 45 -17.320 6.128 3.542 1.00 0.00 C ATOM 382 CD PRO A 45 -17.271 7.004 2.321 1.00 0.00 C ATOM 0 HA PRO A 45 -15.022 4.815 2.198 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -17.953 4.245 2.742 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -16.605 4.134 3.857 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -18.296 6.185 4.024 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -16.582 6.444 4.279 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -18.260 7.136 1.881 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -16.891 7.998 2.555 1.00 0.00 H new ATOM 390 N PRO A 46 -15.247 3.158 0.393 1.00 0.00 N ATOM 391 CA PRO A 46 -15.364 2.111 -0.620 1.00 0.00 C ATOM 392 C PRO A 46 -16.160 0.909 -0.117 1.00 0.00 C ATOM 393 O PRO A 46 -15.980 0.455 0.997 1.00 0.00 O ATOM 394 CB PRO A 46 -13.911 1.714 -0.891 1.00 0.00 C ATOM 395 CG PRO A 46 -13.166 2.103 0.322 1.00 0.00 C ATOM 396 CD PRO A 46 -13.855 3.329 0.851 1.00 0.00 C ATOM 0 HA PRO A 46 -15.896 2.457 -1.506 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -13.825 0.644 -1.079 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.522 2.225 -1.772 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -13.174 1.301 1.060 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -12.122 2.311 0.089 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -13.793 3.388 1.938 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -13.411 4.243 0.456 1.00 0.00 H new ATOM 404 N GLN A 47 -17.042 0.397 -0.970 1.00 0.00 N ATOM 405 CA GLN A 47 -17.867 -0.752 -0.617 1.00 0.00 C ATOM 406 C GLN A 47 -17.004 -1.962 -0.288 1.00 0.00 C ATOM 407 O GLN A 47 -17.402 -2.822 0.490 1.00 0.00 O ATOM 408 CB GLN A 47 -18.823 -1.094 -1.763 1.00 0.00 C ATOM 409 CG GLN A 47 -20.165 -0.388 -1.672 1.00 0.00 C ATOM 410 CD GLN A 47 -20.805 -0.162 -3.019 1.00 0.00 C ATOM 411 OE1 GLN A 47 -21.102 -1.112 -3.752 1.00 0.00 O ATOM 412 NE2 GLN A 47 -21.022 1.100 -3.369 1.00 0.00 N ATOM 0 H GLN A 47 -17.203 0.760 -1.910 1.00 0.00 H new ATOM 0 HA GLN A 47 -18.448 -0.489 0.267 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -18.349 -0.833 -2.709 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -18.990 -2.171 -1.776 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -20.838 -0.978 -1.051 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -20.031 0.572 -1.174 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -20.763 1.857 -2.736 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -21.448 1.313 -4.271 1.00 0.00 H new ATOM 421 N ARG A 48 -15.823 -2.019 -0.878 1.00 0.00 N ATOM 422 CA ARG A 48 -14.900 -3.120 -0.645 1.00 0.00 C ATOM 423 C ARG A 48 -13.482 -2.740 -1.062 1.00 0.00 C ATOM 424 O ARG A 48 -13.280 -2.033 -2.056 1.00 0.00 O ATOM 425 CB ARG A 48 -15.353 -4.362 -1.413 1.00 0.00 C ATOM 426 CG ARG A 48 -15.380 -5.624 -0.566 1.00 0.00 C ATOM 427 CD ARG A 48 -15.578 -6.867 -1.428 1.00 0.00 C ATOM 428 NE ARG A 48 -14.366 -7.680 -1.494 1.00 0.00 N ATOM 429 CZ ARG A 48 -14.235 -8.747 -2.277 1.00 0.00 C ATOM 430 NH1 ARG A 48 -15.239 -9.136 -3.055 1.00 0.00 N ATOM 431 NH2 ARG A 48 -13.099 -9.431 -2.283 1.00 0.00 N ATOM 0 H ARG A 48 -15.477 -1.312 -1.526 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.899 -3.340 0.422 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -16.349 -4.185 -1.819 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -14.687 -4.518 -2.261 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -14.447 -5.710 -0.009 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -16.184 -5.555 0.167 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -16.395 -7.464 -1.022 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -15.871 -6.568 -2.435 1.00 0.00 H new ATOM 0 HE ARG A 48 -13.576 -7.414 -0.906 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -16.116 -8.616 -3.054 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -15.133 -9.955 -3.653 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.325 -9.139 -1.687 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -13.000 -10.249 -2.884 1.00 0.00 H new ATOM 445 N LEU A 49 -12.504 -3.218 -0.302 1.00 0.00 N ATOM 446 CA LEU A 49 -11.102 -2.937 -0.586 1.00 0.00 C ATOM 447 C LEU A 49 -10.198 -3.977 0.060 1.00 0.00 C ATOM 448 O LEU A 49 -10.487 -4.464 1.145 1.00 0.00 O ATOM 449 CB LEU A 49 -10.728 -1.538 -0.093 1.00 0.00 C ATOM 450 CG LEU A 49 -9.287 -1.111 -0.400 1.00 0.00 C ATOM 451 CD1 LEU A 49 -9.260 0.259 -1.060 1.00 0.00 C ATOM 452 CD2 LEU A 49 -8.457 -1.105 0.876 1.00 0.00 C ATOM 0 H LEU A 49 -12.657 -3.804 0.519 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.961 -2.981 -1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -11.409 -0.816 -0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -10.883 -1.495 0.985 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.854 -1.831 -1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.228 0.542 -1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.823 0.225 -1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.710 0.994 -0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.436 -0.800 0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.892 -0.405 1.590 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.448 -2.105 1.309 1.00 0.00 H new ATOM 464 N GLU A 50 -9.103 -4.312 -0.612 1.00 0.00 N ATOM 465 CA GLU A 50 -8.159 -5.294 -0.082 1.00 0.00 C ATOM 466 C GLU A 50 -6.720 -4.862 -0.347 1.00 0.00 C ATOM 467 O GLU A 50 -6.381 -4.438 -1.460 1.00 0.00 O ATOM 468 CB GLU A 50 -8.417 -6.666 -0.706 1.00 0.00 C ATOM 469 CG GLU A 50 -8.174 -6.712 -2.206 1.00 0.00 C ATOM 470 CD GLU A 50 -8.374 -8.097 -2.787 1.00 0.00 C ATOM 471 OE1 GLU A 50 -7.395 -8.872 -2.832 1.00 0.00 O ATOM 472 OE2 GLU A 50 -9.509 -8.408 -3.212 1.00 0.00 O ATOM 0 H GLU A 50 -8.846 -3.922 -1.519 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.306 -5.360 0.996 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.776 -7.402 -0.221 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.448 -6.959 -0.505 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.849 -6.014 -2.701 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.158 -6.377 -2.416 1.00 0.00 H new ATOM 479 N TRP A 51 -5.880 -4.972 0.661 1.00 0.00 N ATOM 480 CA TRP A 51 -4.476 -4.594 0.546 1.00 0.00 C ATOM 481 C TRP A 51 -3.602 -5.825 0.325 1.00 0.00 C ATOM 482 O TRP A 51 -3.779 -6.848 0.996 1.00 0.00 O ATOM 483 CB TRP A 51 -4.026 -3.850 1.806 1.00 0.00 C ATOM 484 CG TRP A 51 -3.338 -2.550 1.519 1.00 0.00 C ATOM 485 CD1 TRP A 51 -3.831 -1.503 0.804 1.00 0.00 C ATOM 486 CD2 TRP A 51 -2.031 -2.159 1.953 1.00 0.00 C ATOM 487 NE1 TRP A 51 -2.910 -0.484 0.760 1.00 0.00 N ATOM 488 CE2 TRP A 51 -1.796 -0.864 1.455 1.00 0.00 C ATOM 489 CE3 TRP A 51 -1.036 -2.779 2.715 1.00 0.00 C ATOM 490 CZ2 TRP A 51 -0.608 -0.178 1.695 1.00 0.00 C ATOM 491 CZ3 TRP A 51 0.143 -2.098 2.960 1.00 0.00 C ATOM 492 CH2 TRP A 51 0.348 -0.808 2.452 1.00 0.00 C ATOM 0 H TRP A 51 -6.144 -5.324 1.581 1.00 0.00 H new ATOM 0 HA TRP A 51 -4.367 -3.934 -0.315 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -4.895 -3.661 2.436 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -3.352 -4.490 2.375 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -4.805 -1.476 0.338 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -3.037 0.410 0.286 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -1.186 -3.774 3.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -0.445 0.814 1.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 0.916 -2.567 3.551 1.00 0.00 H new ATOM 0 HH2 TRP A 51 1.277 -0.299 2.661 1.00 0.00 H new ATOM 503 N LYS A 52 -2.663 -5.725 -0.594 1.00 0.00 N ATOM 504 CA LYS A 52 -1.769 -6.838 -0.897 1.00 0.00 C ATOM 505 C LYS A 52 -0.371 -6.340 -1.253 1.00 0.00 C ATOM 506 O LYS A 52 -0.217 -5.339 -1.954 1.00 0.00 O ATOM 507 CB LYS A 52 -2.336 -7.675 -2.047 1.00 0.00 C ATOM 508 CG LYS A 52 -2.560 -9.133 -1.692 1.00 0.00 C ATOM 509 CD LYS A 52 -2.885 -9.969 -2.911 1.00 0.00 C ATOM 510 CE LYS A 52 -3.518 -11.298 -2.530 1.00 0.00 C ATOM 511 NZ LYS A 52 -3.944 -12.076 -3.725 1.00 0.00 N ATOM 0 H LYS A 52 -2.494 -4.885 -1.148 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.692 -7.460 -0.006 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.282 -7.240 -2.368 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.654 -7.618 -2.896 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.668 -9.530 -1.208 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.375 -9.210 -0.972 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.563 -9.416 -3.561 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.974 -10.150 -3.481 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.806 -11.885 -1.950 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.381 -11.118 -1.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.370 -12.974 -3.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.643 -11.527 -4.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.117 -12.271 -4.325 1.00 0.00 H new ATOM 525 N LEU A 53 0.643 -7.048 -0.767 1.00 0.00 N ATOM 526 CA LEU A 53 2.030 -6.683 -1.034 1.00 0.00 C ATOM 527 C LEU A 53 2.898 -7.928 -1.193 1.00 0.00 C ATOM 528 O LEU A 53 2.749 -8.898 -0.450 1.00 0.00 O ATOM 529 CB LEU A 53 2.576 -5.805 0.077 1.00 0.00 C ATOM 530 CG LEU A 53 2.217 -6.268 1.489 1.00 0.00 C ATOM 531 CD1 LEU A 53 3.281 -7.209 2.029 1.00 0.00 C ATOM 532 CD2 LEU A 53 2.040 -5.069 2.420 1.00 0.00 C ATOM 0 H LEU A 53 0.530 -7.879 -0.186 1.00 0.00 H new ATOM 0 HA LEU A 53 2.056 -6.122 -1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.662 -5.762 -0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.204 -4.790 -0.064 1.00 0.00 H new ATOM 0 HG LEU A 53 1.272 -6.808 1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.008 -7.528 3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.358 -8.081 1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.241 -6.694 2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.785 -5.419 3.420 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.969 -4.500 2.461 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.240 -4.431 2.044 1.00 0.00 H new ATOM 544 N ASN A 54 3.802 -7.894 -2.166 1.00 0.00 N ATOM 545 CA ASN A 54 4.692 -9.021 -2.432 1.00 0.00 C ATOM 546 C ASN A 54 6.080 -8.765 -1.845 1.00 0.00 C ATOM 547 O ASN A 54 6.766 -7.824 -2.243 1.00 0.00 O ATOM 548 CB ASN A 54 4.795 -9.281 -3.927 1.00 0.00 C ATOM 549 CG ASN A 54 4.890 -10.759 -4.260 1.00 0.00 C ATOM 550 OD1 ASN A 54 3.973 -11.529 -3.976 1.00 0.00 O ATOM 551 ND2 ASN A 54 6.004 -11.163 -4.851 1.00 0.00 N ATOM 0 H ASN A 54 3.939 -7.096 -2.786 1.00 0.00 H new ATOM 0 HA ASN A 54 4.271 -9.905 -1.953 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.924 -8.856 -4.426 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.672 -8.767 -4.321 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.127 -12.147 -5.089 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.739 -10.490 -5.068 1.00 0.00 H new ATOM 558 N THR A 55 6.487 -9.610 -0.903 1.00 0.00 N ATOM 559 CA THR A 55 7.794 -9.477 -0.270 1.00 0.00 C ATOM 560 C THR A 55 8.302 -10.831 0.208 1.00 0.00 C ATOM 561 O THR A 55 7.606 -11.841 0.095 1.00 0.00 O ATOM 562 CB THR A 55 7.719 -8.501 0.889 1.00 0.00 C ATOM 563 OG1 THR A 55 6.622 -7.617 0.739 1.00 0.00 O ATOM 564 CG2 THR A 55 8.968 -7.659 1.049 1.00 0.00 C ATOM 0 H THR A 55 5.931 -10.394 -0.561 1.00 0.00 H new ATOM 0 HA THR A 55 8.496 -9.091 -1.009 1.00 0.00 H new ATOM 0 HB THR A 55 7.603 -9.124 1.776 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.594 -6.999 1.499 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.846 -6.984 1.896 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.825 -8.309 1.224 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.133 -7.077 0.142 1.00 0.00 H new ATOM 572 N GLY A 56 9.518 -10.842 0.734 1.00 0.00 N ATOM 573 CA GLY A 56 10.097 -12.074 1.240 1.00 0.00 C ATOM 574 C GLY A 56 9.415 -12.559 2.495 1.00 0.00 C ATOM 575 O GLY A 56 9.220 -13.760 2.692 1.00 0.00 O ATOM 0 H GLY A 56 10.116 -10.020 0.820 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.030 -12.845 0.473 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.156 -11.917 1.443 1.00 0.00 H new ATOM 579 N ARG A 57 9.047 -11.619 3.359 1.00 0.00 N ATOM 580 CA ARG A 57 8.376 -11.944 4.611 1.00 0.00 C ATOM 581 C ARG A 57 7.198 -11.006 4.845 1.00 0.00 C ATOM 582 O ARG A 57 7.342 -9.958 5.474 1.00 0.00 O ATOM 583 CB ARG A 57 9.361 -11.853 5.788 1.00 0.00 C ATOM 584 CG ARG A 57 9.372 -13.089 6.672 1.00 0.00 C ATOM 585 CD ARG A 57 10.456 -13.002 7.727 1.00 0.00 C ATOM 586 NE ARG A 57 10.469 -14.179 8.593 1.00 0.00 N ATOM 587 CZ ARG A 57 11.455 -14.465 9.439 1.00 0.00 C ATOM 588 NH1 ARG A 57 12.509 -13.664 9.544 1.00 0.00 N ATOM 589 NH2 ARG A 57 11.387 -15.555 10.191 1.00 0.00 N ATOM 0 H ARG A 57 9.203 -10.622 3.213 1.00 0.00 H new ATOM 0 HA ARG A 57 8.003 -12.966 4.543 1.00 0.00 H new ATOM 0 HB2 ARG A 57 10.365 -11.687 5.398 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.108 -10.984 6.396 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.401 -13.203 7.154 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.529 -13.976 6.058 1.00 0.00 H new ATOM 0 HD2 ARG A 57 11.427 -12.897 7.242 1.00 0.00 H new ATOM 0 HD3 ARG A 57 10.303 -12.108 8.332 1.00 0.00 H new ATOM 0 HE ARG A 57 9.676 -14.819 8.546 1.00 0.00 H new ATOM 0 HH11 ARG A 57 12.568 -12.821 8.973 1.00 0.00 H new ATOM 0 HH12 ARG A 57 13.260 -13.892 10.196 1.00 0.00 H new ATOM 0 HH21 ARG A 57 10.579 -16.174 10.121 1.00 0.00 H new ATOM 0 HH22 ARG A 57 12.143 -15.775 10.840 1.00 0.00 H new ATOM 603 N THR A 58 6.033 -11.385 4.336 1.00 0.00 N ATOM 604 CA THR A 58 4.828 -10.575 4.473 1.00 0.00 C ATOM 605 C THR A 58 4.591 -10.188 5.931 1.00 0.00 C ATOM 606 O THR A 58 3.975 -10.936 6.690 1.00 0.00 O ATOM 607 CB THR A 58 3.613 -11.328 3.930 1.00 0.00 C ATOM 608 OG1 THR A 58 4.013 -12.321 3.001 1.00 0.00 O ATOM 609 CG2 THR A 58 2.612 -10.429 3.237 1.00 0.00 C ATOM 0 H THR A 58 5.896 -12.255 3.821 1.00 0.00 H new ATOM 0 HA THR A 58 4.970 -9.663 3.893 1.00 0.00 H new ATOM 0 HB THR A 58 3.135 -11.772 4.803 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.222 -12.793 2.666 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.775 -11.027 2.876 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.247 -9.681 3.941 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.092 -9.931 2.395 1.00 0.00 H new ATOM 617 N GLU A 59 5.084 -9.014 6.311 1.00 0.00 N ATOM 618 CA GLU A 59 4.927 -8.522 7.675 1.00 0.00 C ATOM 619 C GLU A 59 4.248 -7.151 7.698 1.00 0.00 C ATOM 620 O GLU A 59 4.004 -6.591 8.767 1.00 0.00 O ATOM 621 CB GLU A 59 6.289 -8.438 8.366 1.00 0.00 C ATOM 622 CG GLU A 59 6.896 -9.794 8.683 1.00 0.00 C ATOM 623 CD GLU A 59 6.586 -10.256 10.093 1.00 0.00 C ATOM 624 OE1 GLU A 59 5.512 -10.860 10.298 1.00 0.00 O ATOM 625 OE2 GLU A 59 7.417 -10.013 10.993 1.00 0.00 O ATOM 0 H GLU A 59 5.596 -8.385 5.693 1.00 0.00 H new ATOM 0 HA GLU A 59 4.291 -9.226 8.212 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.976 -7.882 7.729 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.183 -7.872 9.291 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.521 -10.531 7.973 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.977 -9.744 8.550 1.00 0.00 H new ATOM 632 N ALA A 60 3.946 -6.614 6.517 1.00 0.00 N ATOM 633 CA ALA A 60 3.297 -5.311 6.415 1.00 0.00 C ATOM 634 C ALA A 60 1.895 -5.428 5.823 1.00 0.00 C ATOM 635 O ALA A 60 1.090 -4.503 5.929 1.00 0.00 O ATOM 636 CB ALA A 60 4.146 -4.369 5.575 1.00 0.00 C ATOM 0 H ALA A 60 4.140 -7.061 5.621 1.00 0.00 H new ATOM 0 HA ALA A 60 3.199 -4.906 7.422 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.653 -3.399 5.505 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.123 -4.246 6.042 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.271 -4.785 4.575 1.00 0.00 H new ATOM 642 N TRP A 61 1.607 -6.566 5.198 1.00 0.00 N ATOM 643 CA TRP A 61 0.301 -6.796 4.590 1.00 0.00 C ATOM 644 C TRP A 61 -0.815 -6.654 5.623 1.00 0.00 C ATOM 645 O TRP A 61 -0.818 -7.337 6.647 1.00 0.00 O ATOM 646 CB TRP A 61 0.258 -8.187 3.947 1.00 0.00 C ATOM 647 CG TRP A 61 -1.116 -8.616 3.525 1.00 0.00 C ATOM 648 CD1 TRP A 61 -2.157 -7.807 3.175 1.00 0.00 C ATOM 649 CD2 TRP A 61 -1.597 -9.961 3.411 1.00 0.00 C ATOM 650 NE1 TRP A 61 -3.256 -8.565 2.850 1.00 0.00 N ATOM 651 CE2 TRP A 61 -2.936 -9.891 2.987 1.00 0.00 C ATOM 652 CE3 TRP A 61 -1.023 -11.218 3.626 1.00 0.00 C ATOM 653 CZ2 TRP A 61 -3.711 -11.028 2.775 1.00 0.00 C ATOM 654 CZ3 TRP A 61 -1.794 -12.346 3.414 1.00 0.00 C ATOM 655 CH2 TRP A 61 -3.124 -12.245 3.000 1.00 0.00 C ATOM 0 H TRP A 61 2.261 -7.343 5.099 1.00 0.00 H new ATOM 0 HA TRP A 61 0.145 -6.043 3.818 1.00 0.00 H new ATOM 0 HB2 TRP A 61 0.914 -8.195 3.077 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.655 -8.916 4.653 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.122 -6.728 3.156 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -4.162 -8.201 2.555 1.00 0.00 H new ATOM 0 HE3 TRP A 61 0.003 -11.306 3.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -4.737 -10.953 2.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -1.360 -13.322 3.571 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -3.702 -13.146 2.854 1.00 0.00 H new ATOM 666 N LYS A 62 -1.760 -5.763 5.343 1.00 0.00 N ATOM 667 CA LYS A 62 -2.883 -5.529 6.241 1.00 0.00 C ATOM 668 C LYS A 62 -4.207 -5.604 5.485 1.00 0.00 C ATOM 669 O LYS A 62 -4.280 -5.252 4.307 1.00 0.00 O ATOM 670 CB LYS A 62 -2.745 -4.164 6.928 1.00 0.00 C ATOM 671 CG LYS A 62 -3.885 -3.837 7.870 1.00 0.00 C ATOM 672 CD LYS A 62 -4.850 -2.833 7.268 1.00 0.00 C ATOM 673 CE LYS A 62 -5.546 -2.007 8.329 1.00 0.00 C ATOM 674 NZ LYS A 62 -6.694 -2.737 8.934 1.00 0.00 N ATOM 0 H LYS A 62 -1.770 -5.190 4.499 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.875 -6.309 7.003 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.808 -4.141 7.484 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.682 -3.388 6.165 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.423 -4.752 8.120 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.483 -3.439 8.802 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.309 -2.172 6.591 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.595 -3.359 6.672 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.832 -1.742 9.109 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.899 -1.074 7.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.513 -2.100 9.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.940 -3.553 8.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.432 -3.069 9.884 1.00 0.00 H new ATOM 688 N VAL A 63 -5.248 -6.065 6.169 1.00 0.00 N ATOM 689 CA VAL A 63 -6.568 -6.187 5.561 1.00 0.00 C ATOM 690 C VAL A 63 -7.479 -5.042 5.989 1.00 0.00 C ATOM 691 O VAL A 63 -7.584 -4.729 7.174 1.00 0.00 O ATOM 692 CB VAL A 63 -7.235 -7.526 5.940 1.00 0.00 C ATOM 693 CG1 VAL A 63 -8.531 -7.712 5.157 1.00 0.00 C ATOM 694 CG2 VAL A 63 -6.284 -8.688 5.679 1.00 0.00 C ATOM 0 H VAL A 63 -5.204 -6.360 7.144 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.425 -6.149 4.481 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.471 -7.507 7.004 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.991 -8.661 5.434 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.216 -6.896 5.388 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.314 -7.713 4.089 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.770 -9.625 5.952 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.019 -8.711 4.622 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.381 -8.561 6.276 1.00 0.00 H new ATOM 704 N LEU A 64 -8.136 -4.422 5.014 1.00 0.00 N ATOM 705 CA LEU A 64 -9.040 -3.311 5.289 1.00 0.00 C ATOM 706 C LEU A 64 -10.492 -3.779 5.287 1.00 0.00 C ATOM 707 O LEU A 64 -10.938 -4.446 4.353 1.00 0.00 O ATOM 708 CB LEU A 64 -8.849 -2.201 4.253 1.00 0.00 C ATOM 709 CG LEU A 64 -7.527 -1.441 4.364 1.00 0.00 C ATOM 710 CD1 LEU A 64 -7.334 -0.893 5.761 1.00 0.00 C ATOM 711 CD2 LEU A 64 -6.364 -2.342 3.976 1.00 0.00 C ATOM 0 H LEU A 64 -8.059 -4.670 4.028 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.804 -2.919 6.278 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.918 -2.637 3.257 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.670 -1.490 4.347 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.559 -0.598 3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.386 -0.357 5.814 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.150 -0.212 6.001 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.326 -1.715 6.476 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.430 -1.787 4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.334 -3.205 4.641 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.493 -2.681 2.948 1.00 0.00 H new ATOM 723 N SER A 65 -11.225 -3.424 6.337 1.00 0.00 N ATOM 724 CA SER A 65 -12.627 -3.809 6.455 1.00 0.00 C ATOM 725 C SER A 65 -13.497 -2.598 6.792 1.00 0.00 C ATOM 726 O SER A 65 -13.013 -1.603 7.332 1.00 0.00 O ATOM 727 CB SER A 65 -12.793 -4.878 7.537 1.00 0.00 C ATOM 728 OG SER A 65 -11.973 -4.602 8.658 1.00 0.00 O ATOM 0 H SER A 65 -10.872 -2.871 7.118 1.00 0.00 H new ATOM 0 HA SER A 65 -12.948 -4.214 5.495 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.836 -4.925 7.849 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.538 -5.856 7.128 1.00 0.00 H new ATOM 0 HG SER A 65 -12.099 -5.299 9.335 1.00 0.00 H new ATOM 734 N PRO A 66 -14.800 -2.667 6.468 1.00 0.00 N ATOM 735 CA PRO A 66 -15.738 -1.571 6.732 1.00 0.00 C ATOM 736 C PRO A 66 -15.997 -1.369 8.214 1.00 0.00 C ATOM 737 O PRO A 66 -16.583 -0.364 8.628 1.00 0.00 O ATOM 738 CB PRO A 66 -17.018 -2.017 6.013 1.00 0.00 C ATOM 739 CG PRO A 66 -16.923 -3.502 5.964 1.00 0.00 C ATOM 740 CD PRO A 66 -15.460 -3.817 5.814 1.00 0.00 C ATOM 0 HA PRO A 66 -15.351 -0.613 6.385 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -17.909 -1.694 6.552 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -17.080 -1.590 5.012 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.328 -3.949 6.872 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -17.496 -3.903 5.128 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -15.199 -4.759 6.296 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -15.172 -3.905 4.766 1.00 0.00 H new ATOM 748 N GLN A 67 -15.559 -2.326 9.026 1.00 0.00 N ATOM 749 CA GLN A 67 -15.746 -2.249 10.469 1.00 0.00 C ATOM 750 C GLN A 67 -14.776 -3.177 11.194 1.00 0.00 C ATOM 751 O GLN A 67 -15.146 -4.274 11.611 1.00 0.00 O ATOM 752 CB GLN A 67 -17.186 -2.609 10.838 1.00 0.00 C ATOM 753 CG GLN A 67 -17.630 -2.047 12.188 1.00 0.00 C ATOM 754 CD GLN A 67 -18.575 -0.871 12.034 1.00 0.00 C ATOM 755 OE1 GLN A 67 -18.796 -0.369 10.931 1.00 0.00 O ATOM 756 NE2 GLN A 67 -19.141 -0.424 13.150 1.00 0.00 N ATOM 0 H GLN A 67 -15.072 -3.164 8.708 1.00 0.00 H new ATOM 0 HA GLN A 67 -15.543 -1.225 10.782 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -17.855 -2.238 10.062 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -17.288 -3.694 10.854 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -18.120 -2.832 12.763 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -16.754 -1.735 12.756 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -18.930 -0.870 14.043 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -19.787 0.365 13.114 1.00 0.00 H new ATOM 765 N GLY A 68 -13.533 -2.730 11.339 1.00 0.00 N ATOM 766 CA GLY A 68 -12.529 -3.533 12.014 1.00 0.00 C ATOM 767 C GLY A 68 -11.263 -2.753 12.305 1.00 0.00 C ATOM 768 O GLY A 68 -11.302 -1.534 12.474 1.00 0.00 O ATOM 0 H GLY A 68 -13.203 -1.826 11.001 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -12.941 -3.913 12.949 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.285 -4.398 11.397 1.00 0.00 H new ATOM 772 N GLY A 69 -10.137 -3.456 12.372 1.00 0.00 N ATOM 773 CA GLY A 69 -8.870 -2.804 12.638 1.00 0.00 C ATOM 774 C GLY A 69 -7.682 -3.714 12.391 1.00 0.00 C ATOM 775 O GLY A 69 -7.836 -4.931 12.281 1.00 0.00 O ATOM 0 H GLY A 69 -10.080 -4.467 12.247 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -8.782 -1.919 12.008 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.852 -2.462 13.673 1.00 0.00 H new ATOM 779 N GLY A 70 -6.495 -3.124 12.312 1.00 0.00 N ATOM 780 CA GLY A 70 -5.294 -3.904 12.070 1.00 0.00 C ATOM 781 C GLY A 70 -4.048 -3.232 12.621 1.00 0.00 C ATOM 782 O GLY A 70 -3.986 -2.006 12.697 1.00 0.00 O ATOM 0 H GLY A 70 -6.342 -2.120 12.411 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.405 -4.888 12.526 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -5.175 -4.061 10.998 1.00 0.00 H new ATOM 786 N PRO A 71 -3.031 -4.017 13.024 1.00 0.00 N ATOM 787 CA PRO A 71 -1.783 -3.476 13.572 1.00 0.00 C ATOM 788 C PRO A 71 -1.140 -2.452 12.634 1.00 0.00 C ATOM 789 O PRO A 71 -0.640 -1.419 13.081 1.00 0.00 O ATOM 790 CB PRO A 71 -0.885 -4.709 13.708 1.00 0.00 C ATOM 791 CG PRO A 71 -1.829 -5.857 13.812 1.00 0.00 C ATOM 792 CD PRO A 71 -3.018 -5.490 12.962 1.00 0.00 C ATOM 0 HA PRO A 71 -1.946 -2.948 14.511 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.226 -4.815 12.846 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.248 -4.639 14.590 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.365 -6.778 13.458 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.126 -6.027 14.847 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.908 -5.850 11.939 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.941 -5.918 13.353 1.00 0.00 H new ATOM 800 N TRP A 72 -1.158 -2.744 11.338 1.00 0.00 N ATOM 801 CA TRP A 72 -0.578 -1.850 10.343 1.00 0.00 C ATOM 802 C TRP A 72 -1.253 -0.482 10.384 1.00 0.00 C ATOM 803 O TRP A 72 -0.641 0.531 10.044 1.00 0.00 O ATOM 804 CB TRP A 72 -0.704 -2.459 8.945 1.00 0.00 C ATOM 805 CG TRP A 72 0.096 -1.734 7.906 1.00 0.00 C ATOM 806 CD1 TRP A 72 1.441 -1.828 7.694 1.00 0.00 C ATOM 807 CD2 TRP A 72 -0.400 -0.804 6.938 1.00 0.00 C ATOM 808 NE1 TRP A 72 1.813 -1.013 6.653 1.00 0.00 N ATOM 809 CE2 TRP A 72 0.700 -0.374 6.171 1.00 0.00 C ATOM 810 CE3 TRP A 72 -1.668 -0.293 6.643 1.00 0.00 C ATOM 811 CZ2 TRP A 72 0.569 0.542 5.130 1.00 0.00 C ATOM 812 CZ3 TRP A 72 -1.795 0.616 5.610 1.00 0.00 C ATOM 813 CH2 TRP A 72 -0.683 1.026 4.865 1.00 0.00 C ATOM 0 H TRP A 72 -1.569 -3.594 10.952 1.00 0.00 H new ATOM 0 HA TRP A 72 0.478 -1.719 10.577 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -0.382 -3.500 8.980 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -1.753 -2.459 8.650 1.00 0.00 H new ATOM 0 HD1 TRP A 72 2.115 -2.452 8.262 1.00 0.00 H new ATOM 0 HE1 TRP A 72 2.762 -0.901 6.297 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -2.532 -0.603 7.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 1.425 0.859 4.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.769 1.017 5.373 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -0.816 1.739 4.065 1.00 0.00 H new ATOM 824 N ASP A 73 -2.517 -0.458 10.789 1.00 0.00 N ATOM 825 CA ASP A 73 -3.274 0.788 10.866 1.00 0.00 C ATOM 826 C ASP A 73 -2.543 1.817 11.723 1.00 0.00 C ATOM 827 O ASP A 73 -2.401 2.976 11.334 1.00 0.00 O ATOM 828 CB ASP A 73 -4.669 0.526 11.439 1.00 0.00 C ATOM 829 CG ASP A 73 -5.518 1.782 11.497 1.00 0.00 C ATOM 830 OD1 ASP A 73 -5.443 2.502 12.514 1.00 0.00 O ATOM 831 OD2 ASP A 73 -6.256 2.043 10.532 1.00 0.00 O ATOM 0 H ASP A 73 -3.041 -1.287 11.070 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.373 1.188 9.857 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.174 -0.222 10.829 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.574 0.109 12.441 1.00 0.00 H new ATOM 836 N SER A 74 -2.078 1.384 12.890 1.00 0.00 N ATOM 837 CA SER A 74 -1.358 2.266 13.801 1.00 0.00 C ATOM 838 C SER A 74 -0.048 2.744 13.181 1.00 0.00 C ATOM 839 O SER A 74 0.526 3.744 13.614 1.00 0.00 O ATOM 840 CB SER A 74 -1.079 1.550 15.132 1.00 0.00 C ATOM 841 OG SER A 74 -1.218 2.435 16.222 1.00 0.00 O ATOM 0 H SER A 74 -2.187 0.428 13.227 1.00 0.00 H new ATOM 0 HA SER A 74 -1.986 3.137 13.991 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.767 0.712 15.249 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.071 1.136 15.122 1.00 0.00 H new ATOM 0 HG SER A 74 -1.037 1.956 17.058 1.00 0.00 H new ATOM 847 N VAL A 75 0.422 2.024 12.167 1.00 0.00 N ATOM 848 CA VAL A 75 1.664 2.375 11.491 1.00 0.00 C ATOM 849 C VAL A 75 1.403 3.274 10.287 1.00 0.00 C ATOM 850 O VAL A 75 2.143 4.226 10.048 1.00 0.00 O ATOM 851 CB VAL A 75 2.423 1.117 11.021 1.00 0.00 C ATOM 852 CG1 VAL A 75 3.794 1.489 10.481 1.00 0.00 C ATOM 853 CG2 VAL A 75 2.543 0.112 12.157 1.00 0.00 C ATOM 0 H VAL A 75 -0.040 1.194 11.796 1.00 0.00 H new ATOM 0 HA VAL A 75 2.276 2.912 12.216 1.00 0.00 H new ATOM 0 HB VAL A 75 1.856 0.653 10.214 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.313 0.588 10.155 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.680 2.168 9.636 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.373 1.978 11.264 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.081 -0.769 11.808 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.087 0.564 12.987 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.547 -0.180 12.491 1.00 0.00 H new ATOM 863 N ALA A 76 0.348 2.967 9.539 1.00 0.00 N ATOM 864 CA ALA A 76 -0.004 3.750 8.361 1.00 0.00 C ATOM 865 C ALA A 76 -1.513 3.948 8.268 1.00 0.00 C ATOM 866 O ALA A 76 -2.291 3.137 8.772 1.00 0.00 O ATOM 867 CB ALA A 76 0.525 3.076 7.112 1.00 0.00 C ATOM 0 H ALA A 76 -0.277 2.183 9.728 1.00 0.00 H new ATOM 0 HA ALA A 76 0.456 4.734 8.450 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.257 3.669 6.237 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.610 2.993 7.175 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.089 2.081 7.023 1.00 0.00 H new ATOM 873 N ARG A 77 -1.918 5.030 7.605 1.00 0.00 N ATOM 874 CA ARG A 77 -3.333 5.337 7.444 1.00 0.00 C ATOM 875 C ARG A 77 -3.615 5.850 6.027 1.00 0.00 C ATOM 876 O ARG A 77 -2.906 6.719 5.517 1.00 0.00 O ATOM 877 CB ARG A 77 -3.779 6.370 8.473 1.00 0.00 C ATOM 878 CG ARG A 77 -4.991 5.933 9.284 1.00 0.00 C ATOM 879 CD ARG A 77 -4.680 4.698 10.100 1.00 0.00 C ATOM 880 NE ARG A 77 -5.011 4.872 11.505 1.00 0.00 N ATOM 881 CZ ARG A 77 -6.248 5.058 11.959 1.00 0.00 C ATOM 882 NH1 ARG A 77 -7.275 5.091 11.118 1.00 0.00 N ATOM 883 NH2 ARG A 77 -6.461 5.210 13.268 1.00 0.00 N ATOM 0 H ARG A 77 -1.287 5.705 7.173 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.900 4.419 7.603 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.952 6.576 9.152 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.011 7.304 7.962 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.301 6.742 9.946 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.827 5.730 8.615 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.236 3.850 9.700 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.621 4.458 10.005 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.250 4.850 12.183 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.118 4.973 10.117 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.220 5.234 11.473 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.676 5.184 13.919 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.409 5.353 13.617 1.00 0.00 H new ATOM 897 N VAL A 78 -4.655 5.307 5.402 1.00 0.00 N ATOM 898 CA VAL A 78 -5.033 5.707 4.060 1.00 0.00 C ATOM 899 C VAL A 78 -5.957 6.921 4.084 1.00 0.00 C ATOM 900 O VAL A 78 -7.070 6.855 4.599 1.00 0.00 O ATOM 901 CB VAL A 78 -5.729 4.554 3.299 1.00 0.00 C ATOM 902 CG1 VAL A 78 -7.037 4.174 3.977 1.00 0.00 C ATOM 903 CG2 VAL A 78 -5.966 4.932 1.843 1.00 0.00 C ATOM 0 H VAL A 78 -5.250 4.586 5.809 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.112 5.968 3.540 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.070 3.686 3.321 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.510 3.361 3.426 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.837 3.851 4.999 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -7.703 5.037 3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.456 4.106 1.328 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.600 5.817 1.796 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.011 5.144 1.362 1.00 0.00 H new ATOM 913 N LEU A 79 -5.489 8.028 3.509 1.00 0.00 N ATOM 914 CA LEU A 79 -6.276 9.256 3.467 1.00 0.00 C ATOM 915 C LEU A 79 -7.568 9.045 2.688 1.00 0.00 C ATOM 916 O LEU A 79 -7.609 8.251 1.748 1.00 0.00 O ATOM 917 CB LEU A 79 -5.458 10.391 2.845 1.00 0.00 C ATOM 918 CG LEU A 79 -5.069 11.510 3.820 1.00 0.00 C ATOM 919 CD1 LEU A 79 -3.744 11.195 4.489 1.00 0.00 C ATOM 920 CD2 LEU A 79 -4.992 12.843 3.082 1.00 0.00 C ATOM 0 H LEU A 79 -4.572 8.098 3.068 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.535 9.531 4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.549 9.971 2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.029 10.825 2.024 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.833 11.582 4.594 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.484 11.999 5.177 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.828 10.259 5.041 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.967 11.101 3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.715 13.631 3.782 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.243 12.779 2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.963 13.072 2.643 1.00 0.00 H new ATOM 932 N PRO A 80 -8.645 9.758 3.057 1.00 0.00 N ATOM 933 CA PRO A 80 -9.945 9.649 2.385 1.00 0.00 C ATOM 934 C PRO A 80 -9.851 9.908 0.885 1.00 0.00 C ATOM 935 O PRO A 80 -10.704 9.467 0.115 1.00 0.00 O ATOM 936 CB PRO A 80 -10.805 10.727 3.072 1.00 0.00 C ATOM 937 CG PRO A 80 -9.840 11.605 3.789 1.00 0.00 C ATOM 938 CD PRO A 80 -8.682 10.728 4.161 1.00 0.00 C ATOM 0 HA PRO A 80 -10.359 8.644 2.470 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -11.383 11.293 2.341 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -11.518 10.279 3.764 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.517 12.430 3.154 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -10.297 12.045 4.675 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.753 11.293 4.235 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -8.836 10.240 5.124 1.00 0.00 H new ATOM 946 N ASN A 81 -8.808 10.623 0.475 1.00 0.00 N ATOM 947 CA ASN A 81 -8.605 10.934 -0.928 1.00 0.00 C ATOM 948 C ASN A 81 -7.985 9.751 -1.665 1.00 0.00 C ATOM 949 O ASN A 81 -7.763 9.820 -2.874 1.00 0.00 O ATOM 950 CB ASN A 81 -7.713 12.167 -1.066 1.00 0.00 C ATOM 951 CG ASN A 81 -6.342 11.964 -0.450 1.00 0.00 C ATOM 952 OD1 ASN A 81 -5.930 10.834 -0.192 1.00 0.00 O ATOM 953 ND2 ASN A 81 -5.627 13.059 -0.221 1.00 0.00 N ATOM 0 H ASN A 81 -8.092 10.996 1.098 1.00 0.00 H new ATOM 0 HA ASN A 81 -9.576 11.143 -1.377 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.600 12.414 -2.122 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -8.199 13.018 -0.590 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.694 12.983 0.185 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.010 13.976 -0.451 1.00 0.00 H new ATOM 960 N GLY A 82 -7.706 8.669 -0.941 1.00 0.00 N ATOM 961 CA GLY A 82 -7.115 7.498 -1.558 1.00 0.00 C ATOM 962 C GLY A 82 -5.601 7.556 -1.569 1.00 0.00 C ATOM 963 O GLY A 82 -4.965 7.156 -2.543 1.00 0.00 O ATOM 0 H GLY A 82 -7.879 8.585 0.061 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.438 6.606 -1.022 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.480 7.406 -2.581 1.00 0.00 H new ATOM 967 N SER A 83 -5.023 8.059 -0.482 1.00 0.00 N ATOM 968 CA SER A 83 -3.573 8.171 -0.380 1.00 0.00 C ATOM 969 C SER A 83 -3.036 7.270 0.718 1.00 0.00 C ATOM 970 O SER A 83 -3.778 6.486 1.310 1.00 0.00 O ATOM 971 CB SER A 83 -3.174 9.623 -0.102 1.00 0.00 C ATOM 972 OG SER A 83 -1.830 9.862 -0.478 1.00 0.00 O ATOM 0 H SER A 83 -5.533 8.393 0.335 1.00 0.00 H new ATOM 0 HA SER A 83 -3.140 7.855 -1.329 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.834 10.296 -0.650 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.303 9.843 0.958 1.00 0.00 H new ATOM 0 HG SER A 83 -1.529 9.153 -1.083 1.00 0.00 H new ATOM 978 N LEU A 84 -1.741 7.387 0.990 1.00 0.00 N ATOM 979 CA LEU A 84 -1.101 6.583 2.025 1.00 0.00 C ATOM 980 C LEU A 84 0.100 7.316 2.615 1.00 0.00 C ATOM 981 O LEU A 84 1.030 7.681 1.904 1.00 0.00 O ATOM 982 CB LEU A 84 -0.660 5.236 1.447 1.00 0.00 C ATOM 983 CG LEU A 84 -0.851 4.038 2.383 1.00 0.00 C ATOM 984 CD1 LEU A 84 -1.660 2.947 1.698 1.00 0.00 C ATOM 985 CD2 LEU A 84 0.497 3.496 2.852 1.00 0.00 C ATOM 0 H LEU A 84 -1.114 8.031 0.508 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.825 6.411 2.822 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.216 5.052 0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.393 5.301 1.175 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.404 4.376 3.260 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.785 2.105 2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.639 3.339 1.422 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.137 2.614 0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.337 2.646 3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.081 3.177 1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.037 4.277 3.387 1.00 0.00 H new ATOM 997 N PHE A 85 0.072 7.531 3.926 1.00 0.00 N ATOM 998 CA PHE A 85 1.159 8.222 4.611 1.00 0.00 C ATOM 999 C PHE A 85 1.631 7.428 5.825 1.00 0.00 C ATOM 1000 O PHE A 85 0.820 6.897 6.585 1.00 0.00 O ATOM 1001 CB PHE A 85 0.707 9.622 5.048 1.00 0.00 C ATOM 1002 CG PHE A 85 1.738 10.374 5.835 1.00 0.00 C ATOM 1003 CD1 PHE A 85 3.061 10.404 5.429 1.00 0.00 C ATOM 1004 CD2 PHE A 85 1.380 11.052 6.990 1.00 0.00 C ATOM 1005 CE1 PHE A 85 4.009 11.095 6.159 1.00 0.00 C ATOM 1006 CE2 PHE A 85 2.323 11.746 7.723 1.00 0.00 C ATOM 1007 CZ PHE A 85 3.639 11.767 7.316 1.00 0.00 C ATOM 0 H PHE A 85 -0.691 7.237 4.535 1.00 0.00 H new ATOM 0 HA PHE A 85 1.992 8.315 3.914 1.00 0.00 H new ATOM 0 HB2 PHE A 85 0.445 10.202 4.163 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -0.198 9.530 5.648 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.356 9.881 4.531 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.352 11.037 7.321 1.00 0.00 H new ATOM 0 HE1 PHE A 85 5.037 11.112 5.830 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.028 12.274 8.618 1.00 0.00 H new ATOM 0 HZ PHE A 85 4.378 12.303 7.893 1.00 0.00 H new ATOM 1017 N LEU A 86 2.946 7.355 6.012 1.00 0.00 N ATOM 1018 CA LEU A 86 3.527 6.628 7.127 1.00 0.00 C ATOM 1019 C LEU A 86 4.525 7.506 7.883 1.00 0.00 C ATOM 1020 O LEU A 86 5.449 8.059 7.286 1.00 0.00 O ATOM 1021 CB LEU A 86 4.221 5.356 6.634 1.00 0.00 C ATOM 1022 CG LEU A 86 3.358 4.452 5.753 1.00 0.00 C ATOM 1023 CD1 LEU A 86 3.340 4.964 4.328 1.00 0.00 C ATOM 1024 CD2 LEU A 86 3.866 3.019 5.803 1.00 0.00 C ATOM 0 H LEU A 86 3.631 7.796 5.398 1.00 0.00 H new ATOM 0 HA LEU A 86 2.721 6.350 7.806 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.113 5.639 6.075 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.556 4.784 7.499 1.00 0.00 H new ATOM 0 HG LEU A 86 2.337 4.467 6.135 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.721 4.309 3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.930 5.974 4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.356 4.978 3.934 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.241 2.389 5.171 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.895 2.985 5.445 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.827 2.655 6.830 1.00 0.00 H new ATOM 1036 N PRO A 87 4.354 7.651 9.211 1.00 0.00 N ATOM 1037 CA PRO A 87 5.250 8.471 10.034 1.00 0.00 C ATOM 1038 C PRO A 87 6.703 8.019 9.939 1.00 0.00 C ATOM 1039 O PRO A 87 7.587 8.805 9.608 1.00 0.00 O ATOM 1040 CB PRO A 87 4.723 8.269 11.468 1.00 0.00 C ATOM 1041 CG PRO A 87 3.313 7.823 11.289 1.00 0.00 C ATOM 1042 CD PRO A 87 3.283 7.033 10.013 1.00 0.00 C ATOM 0 HA PRO A 87 5.250 9.512 9.710 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.310 7.524 12.005 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.777 9.193 12.044 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.987 7.214 12.132 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.638 8.677 11.234 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.472 5.974 10.190 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.315 7.105 9.517 1.00 0.00 H new ATOM 1050 N ALA A 88 6.944 6.747 10.241 1.00 0.00 N ATOM 1051 CA ALA A 88 8.291 6.192 10.191 1.00 0.00 C ATOM 1052 C ALA A 88 8.370 5.016 9.223 1.00 0.00 C ATOM 1053 O ALA A 88 7.949 3.904 9.545 1.00 0.00 O ATOM 1054 CB ALA A 88 8.736 5.763 11.581 1.00 0.00 C ATOM 0 H ALA A 88 6.224 6.082 10.523 1.00 0.00 H new ATOM 0 HA ALA A 88 8.962 6.970 9.828 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.744 5.350 11.529 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.731 6.626 12.247 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.053 5.005 11.964 1.00 0.00 H new ATOM 1060 N VAL A 89 8.915 5.269 8.038 1.00 0.00 N ATOM 1061 CA VAL A 89 9.055 4.233 7.023 1.00 0.00 C ATOM 1062 C VAL A 89 10.439 3.597 7.086 1.00 0.00 C ATOM 1063 O VAL A 89 11.442 4.249 6.802 1.00 0.00 O ATOM 1064 CB VAL A 89 8.827 4.799 5.616 1.00 0.00 C ATOM 1065 CG1 VAL A 89 8.810 3.679 4.579 1.00 0.00 C ATOM 1066 CG2 VAL A 89 7.536 5.604 5.555 1.00 0.00 C ATOM 0 H VAL A 89 9.267 6.184 7.757 1.00 0.00 H new ATOM 0 HA VAL A 89 8.298 3.476 7.228 1.00 0.00 H new ATOM 0 HB VAL A 89 9.655 5.469 5.385 1.00 0.00 H new ATOM 0 HG11 VAL A 89 8.647 4.103 3.588 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.764 3.153 4.596 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.006 2.980 4.811 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.398 5.994 4.547 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.694 4.962 5.814 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.590 6.433 6.261 1.00 0.00 H new ATOM 1076 N GLY A 90 10.487 2.323 7.472 1.00 0.00 N ATOM 1077 CA GLY A 90 11.759 1.628 7.561 1.00 0.00 C ATOM 1078 C GLY A 90 11.753 0.292 6.852 1.00 0.00 C ATOM 1079 O GLY A 90 11.024 0.106 5.869 1.00 0.00 O ATOM 0 H GLY A 90 9.672 1.763 7.723 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.541 2.256 7.134 1.00 0.00 H new ATOM 0 HA3 GLY A 90 12.011 1.475 8.610 1.00 0.00 H new ATOM 1083 N ILE A 91 12.570 -0.638 7.336 1.00 0.00 N ATOM 1084 CA ILE A 91 12.663 -1.967 6.740 1.00 0.00 C ATOM 1085 C ILE A 91 11.291 -2.622 6.632 1.00 0.00 C ATOM 1086 O ILE A 91 10.984 -3.284 5.633 1.00 0.00 O ATOM 1087 CB ILE A 91 13.595 -2.885 7.546 1.00 0.00 C ATOM 1088 CG1 ILE A 91 13.191 -2.882 9.032 1.00 0.00 C ATOM 1089 CG2 ILE A 91 15.043 -2.449 7.386 1.00 0.00 C ATOM 1090 CD1 ILE A 91 12.389 -4.099 9.433 1.00 0.00 C ATOM 0 H ILE A 91 13.179 -0.496 8.142 1.00 0.00 H new ATOM 0 HA ILE A 91 13.077 -1.832 5.741 1.00 0.00 H new ATOM 0 HB ILE A 91 13.500 -3.901 7.162 1.00 0.00 H new ATOM 0 HG12 ILE A 91 14.090 -2.829 9.646 1.00 0.00 H new ATOM 0 HG13 ILE A 91 12.608 -1.985 9.242 1.00 0.00 H new ATOM 0 HG21 ILE A 91 15.688 -3.111 7.964 1.00 0.00 H new ATOM 0 HG22 ILE A 91 15.323 -2.497 6.334 1.00 0.00 H new ATOM 0 HG23 ILE A 91 15.157 -1.426 7.746 1.00 0.00 H new ATOM 0 HD11 ILE A 91 12.136 -4.036 10.491 1.00 0.00 H new ATOM 0 HD12 ILE A 91 11.473 -4.142 8.843 1.00 0.00 H new ATOM 0 HD13 ILE A 91 12.978 -4.998 9.254 1.00 0.00 H new ATOM 1102 N GLN A 92 10.469 -2.432 7.651 1.00 0.00 N ATOM 1103 CA GLN A 92 9.128 -3.004 7.670 1.00 0.00 C ATOM 1104 C GLN A 92 8.306 -2.513 6.482 1.00 0.00 C ATOM 1105 O GLN A 92 7.327 -3.147 6.096 1.00 0.00 O ATOM 1106 CB GLN A 92 8.418 -2.645 8.977 1.00 0.00 C ATOM 1107 CG GLN A 92 8.672 -3.637 10.099 1.00 0.00 C ATOM 1108 CD GLN A 92 8.135 -3.156 11.433 1.00 0.00 C ATOM 1109 OE1 GLN A 92 8.131 -1.959 11.719 1.00 0.00 O ATOM 1110 NE2 GLN A 92 7.678 -4.091 12.258 1.00 0.00 N ATOM 0 H GLN A 92 10.705 -1.885 8.479 1.00 0.00 H new ATOM 0 HA GLN A 92 9.223 -4.088 7.599 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.743 -1.655 9.298 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.345 -2.584 8.793 1.00 0.00 H new ATOM 0 HG2 GLN A 92 8.209 -4.591 9.848 1.00 0.00 H new ATOM 0 HG3 GLN A 92 9.744 -3.816 10.186 1.00 0.00 H new ATOM 0 HE21 GLN A 92 7.701 -5.072 11.980 1.00 0.00 H new ATOM 0 HE22 GLN A 92 7.304 -3.828 13.170 1.00 0.00 H new ATOM 1119 N ASP A 93 8.709 -1.379 5.920 1.00 0.00 N ATOM 1120 CA ASP A 93 8.006 -0.807 4.771 1.00 0.00 C ATOM 1121 C ASP A 93 8.640 -1.237 3.456 1.00 0.00 C ATOM 1122 O ASP A 93 8.093 -0.976 2.378 1.00 0.00 O ATOM 1123 CB ASP A 93 7.989 0.720 4.880 1.00 0.00 C ATOM 1124 CG ASP A 93 6.582 1.287 4.821 1.00 0.00 C ATOM 1125 OD1 ASP A 93 5.836 1.114 5.807 1.00 0.00 O ATOM 1126 OD2 ASP A 93 6.228 1.902 3.800 1.00 0.00 O ATOM 0 H ASP A 93 9.514 -0.838 6.237 1.00 0.00 H new ATOM 0 HA ASP A 93 6.982 -1.181 4.780 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.460 1.020 5.816 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.584 1.146 4.072 1.00 0.00 H new ATOM 1131 N GLU A 94 9.795 -1.896 3.523 1.00 0.00 N ATOM 1132 CA GLU A 94 10.488 -2.355 2.323 1.00 0.00 C ATOM 1133 C GLU A 94 9.606 -3.304 1.524 1.00 0.00 C ATOM 1134 O GLU A 94 8.462 -3.570 1.885 1.00 0.00 O ATOM 1135 CB GLU A 94 11.795 -3.055 2.704 1.00 0.00 C ATOM 1136 CG GLU A 94 12.909 -2.096 3.092 1.00 0.00 C ATOM 1137 CD GLU A 94 14.154 -2.815 3.565 1.00 0.00 C ATOM 1138 OE1 GLU A 94 14.075 -3.511 4.599 1.00 0.00 O ATOM 1139 OE2 GLU A 94 15.207 -2.683 2.909 1.00 0.00 O ATOM 0 H GLU A 94 10.270 -2.124 4.396 1.00 0.00 H new ATOM 0 HA GLU A 94 10.715 -1.487 1.704 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.605 -3.733 3.536 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.128 -3.665 1.865 1.00 0.00 H new ATOM 0 HG2 GLU A 94 13.159 -1.469 2.236 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.555 -1.433 3.881 1.00 0.00 H new ATOM 1146 N GLY A 95 10.147 -3.814 0.415 1.00 0.00 N ATOM 1147 CA GLY A 95 9.398 -4.730 -0.409 1.00 0.00 C ATOM 1148 C GLY A 95 8.540 -4.015 -1.444 1.00 0.00 C ATOM 1149 O GLY A 95 8.748 -2.834 -1.714 1.00 0.00 O ATOM 0 H GLY A 95 11.088 -3.605 0.081 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.088 -5.404 -0.917 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.760 -5.345 0.225 1.00 0.00 H new ATOM 1153 N ILE A 96 7.574 -4.735 -1.999 1.00 0.00 N ATOM 1154 CA ILE A 96 6.680 -4.168 -3.002 1.00 0.00 C ATOM 1155 C ILE A 96 5.248 -4.097 -2.482 1.00 0.00 C ATOM 1156 O ILE A 96 4.814 -4.955 -1.720 1.00 0.00 O ATOM 1157 CB ILE A 96 6.700 -4.993 -4.302 1.00 0.00 C ATOM 1158 CG1 ILE A 96 8.141 -5.293 -4.728 1.00 0.00 C ATOM 1159 CG2 ILE A 96 5.963 -4.256 -5.410 1.00 0.00 C ATOM 1160 CD1 ILE A 96 8.585 -6.701 -4.385 1.00 0.00 C ATOM 0 H ILE A 96 7.389 -5.712 -1.772 1.00 0.00 H new ATOM 0 HA ILE A 96 7.039 -3.161 -3.214 1.00 0.00 H new ATOM 0 HB ILE A 96 6.192 -5.939 -4.116 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.234 -5.142 -5.803 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.811 -4.580 -4.247 1.00 0.00 H new ATOM 0 HG21 ILE A 96 5.986 -4.853 -6.322 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.928 -4.091 -5.111 1.00 0.00 H new ATOM 0 HG23 ILE A 96 6.446 -3.296 -5.592 1.00 0.00 H new ATOM 0 HD11 ILE A 96 9.614 -6.848 -4.713 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.523 -6.849 -3.307 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.937 -7.419 -4.888 1.00 0.00 H new ATOM 1172 N PHE A 97 4.519 -3.070 -2.906 1.00 0.00 N ATOM 1173 CA PHE A 97 3.134 -2.890 -2.482 1.00 0.00 C ATOM 1174 C PHE A 97 2.194 -2.884 -3.682 1.00 0.00 C ATOM 1175 O PHE A 97 2.591 -2.531 -4.793 1.00 0.00 O ATOM 1176 CB PHE A 97 2.985 -1.586 -1.698 1.00 0.00 C ATOM 1177 CG PHE A 97 3.813 -1.544 -0.446 1.00 0.00 C ATOM 1178 CD1 PHE A 97 5.196 -1.578 -0.515 1.00 0.00 C ATOM 1179 CD2 PHE A 97 3.209 -1.474 0.782 1.00 0.00 C ATOM 1180 CE1 PHE A 97 5.962 -1.542 0.619 1.00 0.00 C ATOM 1181 CE2 PHE A 97 3.969 -1.436 1.944 1.00 0.00 C ATOM 1182 CZ PHE A 97 5.347 -1.471 1.854 1.00 0.00 C ATOM 0 H PHE A 97 4.863 -2.350 -3.542 1.00 0.00 H new ATOM 0 HA PHE A 97 2.866 -3.727 -1.837 1.00 0.00 H new ATOM 0 HB2 PHE A 97 3.267 -0.751 -2.339 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.936 -1.446 -1.436 1.00 0.00 H new ATOM 0 HD1 PHE A 97 5.678 -1.634 -1.480 1.00 0.00 H new ATOM 0 HD2 PHE A 97 2.131 -1.448 0.847 1.00 0.00 H new ATOM 0 HE1 PHE A 97 7.039 -1.569 0.549 1.00 0.00 H new ATOM 0 HE2 PHE A 97 3.487 -1.380 2.909 1.00 0.00 H new ATOM 0 HZ PHE A 97 5.946 -1.443 2.752 1.00 0.00 H new ATOM 1192 N ARG A 98 0.946 -3.278 -3.451 1.00 0.00 N ATOM 1193 CA ARG A 98 -0.050 -3.319 -4.513 1.00 0.00 C ATOM 1194 C ARG A 98 -1.427 -2.926 -3.983 1.00 0.00 C ATOM 1195 O ARG A 98 -1.802 -3.291 -2.869 1.00 0.00 O ATOM 1196 CB ARG A 98 -0.107 -4.717 -5.131 1.00 0.00 C ATOM 1197 CG ARG A 98 -1.125 -4.847 -6.254 1.00 0.00 C ATOM 1198 CD ARG A 98 -1.055 -6.215 -6.924 1.00 0.00 C ATOM 1199 NE ARG A 98 -0.514 -6.140 -8.270 1.00 0.00 N ATOM 1200 CZ ARG A 98 -0.025 -7.186 -8.940 1.00 0.00 C ATOM 1201 NH1 ARG A 98 -0.005 -8.387 -8.376 1.00 0.00 N ATOM 1202 NH2 ARG A 98 0.447 -7.030 -10.162 1.00 0.00 N ATOM 0 H ARG A 98 0.601 -3.573 -2.538 1.00 0.00 H new ATOM 0 HA ARG A 98 0.241 -2.602 -5.280 1.00 0.00 H new ATOM 0 HB2 ARG A 98 0.880 -4.976 -5.515 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -0.345 -5.440 -4.351 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -2.127 -4.687 -5.857 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -0.949 -4.069 -6.997 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -0.437 -6.881 -6.322 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -2.053 -6.652 -6.959 1.00 0.00 H new ATOM 0 HE ARG A 98 -0.507 -5.231 -8.732 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -0.364 -8.512 -7.429 1.00 0.00 H new ATOM 0 HH12 ARG A 98 0.369 -9.185 -8.889 1.00 0.00 H new ATOM 0 HH21 ARG A 98 0.439 -6.108 -10.598 1.00 0.00 H new ATOM 0 HH22 ARG A 98 0.820 -7.832 -10.671 1.00 0.00 H new ATOM 1216 N CYS A 99 -2.173 -2.180 -4.791 1.00 0.00 N ATOM 1217 CA CYS A 99 -3.507 -1.736 -4.407 1.00 0.00 C ATOM 1218 C CYS A 99 -4.575 -2.569 -5.116 1.00 0.00 C ATOM 1219 O CYS A 99 -4.340 -3.121 -6.181 1.00 0.00 O ATOM 1220 CB CYS A 99 -3.694 -0.256 -4.747 1.00 0.00 C ATOM 1221 SG CYS A 99 -2.754 0.879 -3.677 1.00 0.00 S ATOM 0 H CYS A 99 -1.876 -1.870 -5.716 1.00 0.00 H new ATOM 0 HA CYS A 99 -3.614 -1.870 -3.331 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -3.396 -0.092 -5.783 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -4.753 -0.010 -4.677 1.00 0.00 H new ATOM 1226 N GLN A 100 -5.750 -2.658 -4.490 1.00 0.00 N ATOM 1227 CA GLN A 100 -6.852 -3.427 -5.064 1.00 0.00 C ATOM 1228 C GLN A 100 -8.187 -2.976 -4.474 1.00 0.00 C ATOM 1229 O GLN A 100 -8.341 -2.871 -3.257 1.00 0.00 O ATOM 1230 CB GLN A 100 -6.644 -4.921 -4.797 1.00 0.00 C ATOM 1231 CG GLN A 100 -6.919 -5.793 -6.011 1.00 0.00 C ATOM 1232 CD GLN A 100 -8.168 -6.637 -5.853 1.00 0.00 C ATOM 1233 OE1 GLN A 100 -9.154 -6.201 -5.268 1.00 0.00 O ATOM 1234 NE2 GLN A 100 -8.132 -7.854 -6.392 1.00 0.00 N ATOM 0 H GLN A 100 -5.960 -2.213 -3.597 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.870 -3.253 -6.140 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.618 -5.084 -4.466 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.296 -5.231 -3.980 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -7.022 -5.160 -6.892 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -6.064 -6.446 -6.186 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.290 -8.176 -6.870 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.946 -8.465 -6.327 1.00 0.00 H new ATOM 1243 N ALA A 101 -9.150 -2.713 -5.351 1.00 0.00 N ATOM 1244 CA ALA A 101 -10.474 -2.273 -4.936 1.00 0.00 C ATOM 1245 C ALA A 101 -11.563 -2.965 -5.739 1.00 0.00 C ATOM 1246 O ALA A 101 -11.310 -3.477 -6.836 1.00 0.00 O ATOM 1247 CB ALA A 101 -10.594 -0.763 -5.058 1.00 0.00 C ATOM 0 H ALA A 101 -9.035 -2.798 -6.361 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.607 -2.549 -3.890 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.590 -0.451 -4.744 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.847 -0.286 -4.423 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.431 -0.468 -6.095 1.00 0.00 H new ATOM 1253 N MET A 102 -12.779 -2.978 -5.201 1.00 0.00 N ATOM 1254 CA MET A 102 -13.905 -3.607 -5.888 1.00 0.00 C ATOM 1255 C MET A 102 -15.109 -2.673 -5.915 1.00 0.00 C ATOM 1256 O MET A 102 -15.698 -2.364 -4.888 1.00 0.00 O ATOM 1257 CB MET A 102 -14.280 -4.917 -5.183 1.00 0.00 C ATOM 1258 CG MET A 102 -15.254 -5.772 -5.979 1.00 0.00 C ATOM 1259 SD MET A 102 -14.428 -6.810 -7.199 1.00 0.00 S ATOM 1260 CE MET A 102 -14.014 -8.239 -6.203 1.00 0.00 C ATOM 0 H MET A 102 -13.010 -2.564 -4.298 1.00 0.00 H new ATOM 0 HA MET A 102 -13.608 -3.820 -6.915 1.00 0.00 H new ATOM 0 HB2 MET A 102 -13.373 -5.492 -4.994 1.00 0.00 H new ATOM 0 HB3 MET A 102 -14.719 -4.686 -4.213 1.00 0.00 H new ATOM 0 HG2 MET A 102 -15.821 -6.403 -5.295 1.00 0.00 H new ATOM 0 HG3 MET A 102 -15.971 -5.125 -6.484 1.00 0.00 H new ATOM 0 HE1 MET A 102 -13.496 -8.974 -6.819 1.00 0.00 H new ATOM 0 HE2 MET A 102 -13.367 -7.934 -5.381 1.00 0.00 H new ATOM 0 HE3 MET A 102 -14.927 -8.680 -5.802 1.00 0.00 H new ATOM 1270 N ASN A 103 -15.471 -2.228 -7.114 1.00 0.00 N ATOM 1271 CA ASN A 103 -16.606 -1.329 -7.285 1.00 0.00 C ATOM 1272 C ASN A 103 -17.869 -2.109 -7.634 1.00 0.00 C ATOM 1273 O ASN A 103 -17.828 -3.325 -7.828 1.00 0.00 O ATOM 1274 CB ASN A 103 -16.309 -0.300 -8.377 1.00 0.00 C ATOM 1275 CG ASN A 103 -16.965 1.039 -8.102 1.00 0.00 C ATOM 1276 OD1 ASN A 103 -17.211 1.398 -6.950 1.00 0.00 O ATOM 1277 ND2 ASN A 103 -17.251 1.787 -9.161 1.00 0.00 N ATOM 0 H ASN A 103 -14.995 -2.475 -7.981 1.00 0.00 H new ATOM 0 HA ASN A 103 -16.771 -0.809 -6.342 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -15.231 -0.163 -8.460 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -16.657 -0.682 -9.337 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -17.692 2.698 -9.038 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -17.030 1.450 -10.098 1.00 0.00 H new ATOM 1284 N ARG A 104 -18.991 -1.402 -7.723 1.00 0.00 N ATOM 1285 CA ARG A 104 -20.266 -2.029 -8.051 1.00 0.00 C ATOM 1286 C ARG A 104 -20.206 -2.699 -9.428 1.00 0.00 C ATOM 1287 O ARG A 104 -20.877 -3.703 -9.661 1.00 0.00 O ATOM 1288 CB ARG A 104 -21.389 -0.992 -8.025 1.00 0.00 C ATOM 1289 CG ARG A 104 -22.094 -0.893 -6.682 1.00 0.00 C ATOM 1290 CD ARG A 104 -23.172 0.179 -6.704 1.00 0.00 C ATOM 1291 NE ARG A 104 -23.494 0.651 -5.351 1.00 0.00 N ATOM 1292 CZ ARG A 104 -24.320 1.664 -5.099 1.00 0.00 C ATOM 1293 NH1 ARG A 104 -24.910 2.313 -6.095 1.00 0.00 N ATOM 1294 NH2 ARG A 104 -24.557 2.030 -3.846 1.00 0.00 N ATOM 0 H ARG A 104 -19.043 -0.394 -7.573 1.00 0.00 H new ATOM 0 HA ARG A 104 -20.470 -2.794 -7.302 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -20.977 -0.016 -8.283 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -22.121 -1.242 -8.793 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -22.540 -1.855 -6.431 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -21.367 -0.665 -5.903 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -22.838 1.019 -7.313 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -24.071 -0.218 -7.175 1.00 0.00 H new ATOM 0 HE ARG A 104 -23.060 0.176 -4.560 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -24.732 2.036 -7.060 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -25.542 3.088 -5.895 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -24.106 1.535 -3.076 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -25.190 2.806 -3.652 1.00 0.00 H new ATOM 1308 N ASN A 105 -19.399 -2.136 -10.314 1.00 0.00 N ATOM 1309 CA ASN A 105 -19.253 -2.679 -11.668 1.00 0.00 C ATOM 1310 C ASN A 105 -18.143 -3.726 -11.711 1.00 0.00 C ATOM 1311 O ASN A 105 -18.121 -4.576 -12.601 1.00 0.00 O ATOM 1312 CB ASN A 105 -18.957 -1.556 -12.664 1.00 0.00 C ATOM 1313 CG ASN A 105 -17.743 -0.736 -12.261 1.00 0.00 C ATOM 1314 OD1 ASN A 105 -16.891 -1.194 -11.499 1.00 0.00 O ATOM 1315 ND2 ASN A 105 -17.659 0.484 -12.779 1.00 0.00 N ATOM 0 H ASN A 105 -18.835 -1.307 -10.127 1.00 0.00 H new ATOM 0 HA ASN A 105 -20.192 -3.157 -11.947 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -18.792 -1.984 -13.653 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -19.826 -0.902 -12.740 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -16.865 1.082 -12.549 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -18.388 0.823 -13.406 1.00 0.00 H new ATOM 1322 N GLY A 106 -17.222 -3.660 -10.753 1.00 0.00 N ATOM 1323 CA GLY A 106 -16.125 -4.609 -10.713 1.00 0.00 C ATOM 1324 C GLY A 106 -14.801 -3.980 -11.098 1.00 0.00 C ATOM 1325 O GLY A 106 -13.944 -4.633 -11.693 1.00 0.00 O ATOM 0 H GLY A 106 -17.217 -2.967 -10.005 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -16.047 -5.027 -9.710 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -16.340 -5.437 -11.388 1.00 0.00 H new ATOM 1329 N LYS A 107 -14.632 -2.705 -10.757 1.00 0.00 N ATOM 1330 CA LYS A 107 -13.404 -1.985 -11.069 1.00 0.00 C ATOM 1331 C LYS A 107 -12.327 -2.268 -10.027 1.00 0.00 C ATOM 1332 O LYS A 107 -12.581 -2.203 -8.823 1.00 0.00 O ATOM 1333 CB LYS A 107 -13.678 -0.481 -11.145 1.00 0.00 C ATOM 1334 CG LYS A 107 -12.436 0.353 -11.413 1.00 0.00 C ATOM 1335 CD LYS A 107 -12.793 1.728 -11.954 1.00 0.00 C ATOM 1336 CE LYS A 107 -11.561 2.470 -12.445 1.00 0.00 C ATOM 1337 NZ LYS A 107 -11.889 3.847 -12.907 1.00 0.00 N ATOM 0 H LYS A 107 -15.332 -2.150 -10.264 1.00 0.00 H new ATOM 0 HA LYS A 107 -13.044 -2.331 -12.038 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -14.408 -0.293 -11.932 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -14.129 -0.155 -10.208 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -11.863 0.461 -10.492 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -11.796 -0.165 -12.127 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -13.507 1.625 -12.771 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -13.284 2.311 -11.174 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -10.825 2.522 -11.643 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -11.103 1.912 -13.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -11.022 4.319 -13.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -12.572 3.797 -13.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -12.302 4.388 -12.121 1.00 0.00 H new ATOM 1351 N GLU A 108 -11.123 -2.581 -10.497 1.00 0.00 N ATOM 1352 CA GLU A 108 -10.006 -2.873 -9.612 1.00 0.00 C ATOM 1353 C GLU A 108 -8.782 -2.044 -9.977 1.00 0.00 C ATOM 1354 O GLU A 108 -8.574 -1.714 -11.145 1.00 0.00 O ATOM 1355 CB GLU A 108 -9.664 -4.364 -9.651 1.00 0.00 C ATOM 1356 CG GLU A 108 -9.298 -4.862 -11.039 1.00 0.00 C ATOM 1357 CD GLU A 108 -8.785 -6.289 -11.029 1.00 0.00 C ATOM 1358 OE1 GLU A 108 -9.618 -7.219 -11.021 1.00 0.00 O ATOM 1359 OE2 GLU A 108 -7.550 -6.476 -11.030 1.00 0.00 O ATOM 0 H GLU A 108 -10.898 -2.638 -11.490 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.307 -2.607 -8.599 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -8.833 -4.557 -8.973 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -10.516 -4.935 -9.281 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -10.173 -4.799 -11.686 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -8.537 -4.209 -11.467 1.00 0.00 H new ATOM 1366 N THR A 109 -7.974 -1.710 -8.984 1.00 0.00 N ATOM 1367 CA THR A 109 -6.770 -0.918 -9.204 1.00 0.00 C ATOM 1368 C THR A 109 -5.527 -1.802 -9.200 1.00 0.00 C ATOM 1369 O THR A 109 -5.404 -2.713 -8.374 1.00 0.00 O ATOM 1370 CB THR A 109 -6.642 0.165 -8.123 1.00 0.00 C ATOM 1371 OG1 THR A 109 -5.545 1.018 -8.397 1.00 0.00 O ATOM 1372 CG2 THR A 109 -6.452 -0.392 -6.736 1.00 0.00 C ATOM 0 H THR A 109 -8.130 -1.976 -8.012 1.00 0.00 H new ATOM 0 HA THR A 109 -6.853 -0.442 -10.181 1.00 0.00 H new ATOM 0 HB THR A 109 -7.585 0.711 -8.150 1.00 0.00 H new ATOM 0 HG1 THR A 109 -5.653 1.858 -7.904 1.00 0.00 H new ATOM 0 HG21 THR A 109 -6.369 0.428 -6.023 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.307 -1.016 -6.474 1.00 0.00 H new ATOM 0 HG23 THR A 109 -5.543 -0.992 -6.706 1.00 0.00 H new ATOM 1380 N LYS A 110 -4.608 -1.528 -10.113 1.00 0.00 N ATOM 1381 CA LYS A 110 -3.375 -2.299 -10.214 1.00 0.00 C ATOM 1382 C LYS A 110 -2.159 -1.380 -10.254 1.00 0.00 C ATOM 1383 O LYS A 110 -2.049 -0.516 -11.125 1.00 0.00 O ATOM 1384 CB LYS A 110 -3.401 -3.183 -11.462 1.00 0.00 C ATOM 1385 CG LYS A 110 -2.579 -4.456 -11.323 1.00 0.00 C ATOM 1386 CD LYS A 110 -1.795 -4.759 -12.591 1.00 0.00 C ATOM 1387 CE LYS A 110 -2.062 -6.171 -13.096 1.00 0.00 C ATOM 1388 NZ LYS A 110 -0.833 -6.810 -13.634 1.00 0.00 N ATOM 0 H LYS A 110 -4.692 -0.776 -10.797 1.00 0.00 H new ATOM 0 HA LYS A 110 -3.300 -2.932 -9.330 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -4.434 -3.450 -11.687 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -3.028 -2.610 -12.311 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.890 -4.355 -10.484 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.239 -5.293 -11.094 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -2.063 -4.039 -13.365 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -0.729 -4.637 -12.397 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -2.460 -6.778 -12.283 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.825 -6.140 -13.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.058 -7.769 -13.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -0.467 -6.245 -14.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -0.113 -6.863 -12.885 1.00 0.00 H new ATOM 1402 N SER A 111 -1.246 -1.572 -9.307 1.00 0.00 N ATOM 1403 CA SER A 111 -0.037 -0.762 -9.235 1.00 0.00 C ATOM 1404 C SER A 111 0.976 -1.381 -8.284 1.00 0.00 C ATOM 1405 O SER A 111 0.784 -1.367 -7.068 1.00 0.00 O ATOM 1406 CB SER A 111 -0.378 0.661 -8.787 1.00 0.00 C ATOM 1407 OG SER A 111 -0.535 1.523 -9.901 1.00 0.00 O ATOM 0 H SER A 111 -1.321 -2.282 -8.579 1.00 0.00 H new ATOM 0 HA SER A 111 0.406 -0.724 -10.230 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.296 0.650 -8.199 1.00 0.00 H new ATOM 0 HB3 SER A 111 0.411 1.040 -8.138 1.00 0.00 H new ATOM 0 HG SER A 111 -1.057 1.069 -10.595 1.00 0.00 H new ATOM 1413 N ASN A 112 2.056 -1.921 -8.840 1.00 0.00 N ATOM 1414 CA ASN A 112 3.101 -2.543 -8.027 1.00 0.00 C ATOM 1415 C ASN A 112 4.396 -1.742 -8.113 1.00 0.00 C ATOM 1416 O ASN A 112 4.987 -1.614 -9.185 1.00 0.00 O ATOM 1417 CB ASN A 112 3.342 -3.980 -8.491 1.00 0.00 C ATOM 1418 CG ASN A 112 3.552 -4.935 -7.340 1.00 0.00 C ATOM 1419 OD1 ASN A 112 3.164 -4.649 -6.208 1.00 0.00 O ATOM 1420 ND2 ASN A 112 4.170 -6.077 -7.610 1.00 0.00 N ATOM 0 H ASN A 112 2.232 -1.942 -9.844 1.00 0.00 H new ATOM 0 HA ASN A 112 2.769 -2.555 -6.989 1.00 0.00 H new ATOM 0 HB2 ASN A 112 2.491 -4.314 -9.084 1.00 0.00 H new ATOM 0 HB3 ASN A 112 4.215 -4.006 -9.143 1.00 0.00 H new ATOM 0 HD21 ASN A 112 4.338 -6.754 -6.866 1.00 0.00 H new ATOM 0 HD22 ASN A 112 4.477 -6.278 -8.562 1.00 0.00 H new ATOM 1427 N TYR A 113 4.831 -1.199 -6.988 1.00 0.00 N ATOM 1428 CA TYR A 113 6.055 -0.404 -6.935 1.00 0.00 C ATOM 1429 C TYR A 113 7.046 -0.975 -5.932 1.00 0.00 C ATOM 1430 O TYR A 113 6.666 -1.376 -4.832 1.00 0.00 O ATOM 1431 CB TYR A 113 5.730 1.049 -6.583 1.00 0.00 C ATOM 1432 CG TYR A 113 5.020 1.796 -7.689 1.00 0.00 C ATOM 1433 CD1 TYR A 113 3.803 1.348 -8.196 1.00 0.00 C ATOM 1434 CD2 TYR A 113 5.565 2.953 -8.234 1.00 0.00 C ATOM 1435 CE1 TYR A 113 3.150 2.028 -9.198 1.00 0.00 C ATOM 1436 CE2 TYR A 113 4.918 3.638 -9.245 1.00 0.00 C ATOM 1437 CZ TYR A 113 3.711 3.172 -9.723 1.00 0.00 C ATOM 1438 OH TYR A 113 3.064 3.853 -10.736 1.00 0.00 O ATOM 0 H TYR A 113 4.354 -1.293 -6.092 1.00 0.00 H new ATOM 0 HA TYR A 113 6.517 -0.439 -7.922 1.00 0.00 H new ATOM 0 HB2 TYR A 113 5.109 1.067 -5.687 1.00 0.00 H new ATOM 0 HB3 TYR A 113 6.656 1.571 -6.340 1.00 0.00 H new ATOM 0 HD1 TYR A 113 3.362 0.448 -7.794 1.00 0.00 H new ATOM 0 HD2 TYR A 113 6.509 3.322 -7.861 1.00 0.00 H new ATOM 0 HE1 TYR A 113 2.203 1.667 -9.571 1.00 0.00 H new ATOM 0 HE2 TYR A 113 5.356 4.534 -9.659 1.00 0.00 H new ATOM 0 HH TYR A 113 3.592 4.638 -10.992 1.00 0.00 H new ATOM 1448 N ARG A 114 8.319 -1.006 -6.307 1.00 0.00 N ATOM 1449 CA ARG A 114 9.370 -1.524 -5.437 1.00 0.00 C ATOM 1450 C ARG A 114 9.930 -0.421 -4.543 1.00 0.00 C ATOM 1451 O ARG A 114 10.287 0.656 -5.028 1.00 0.00 O ATOM 1452 CB ARG A 114 10.495 -2.138 -6.284 1.00 0.00 C ATOM 1453 CG ARG A 114 11.020 -3.453 -5.723 1.00 0.00 C ATOM 1454 CD ARG A 114 11.781 -3.250 -4.423 1.00 0.00 C ATOM 1455 NE ARG A 114 12.083 -4.517 -3.761 1.00 0.00 N ATOM 1456 CZ ARG A 114 13.062 -5.337 -4.148 1.00 0.00 C ATOM 1457 NH1 ARG A 114 13.835 -5.025 -5.173 1.00 0.00 N ATOM 1458 NH2 ARG A 114 13.268 -6.469 -3.482 1.00 0.00 N ATOM 0 H ARG A 114 8.651 -0.676 -7.213 1.00 0.00 H new ATOM 0 HA ARG A 114 8.939 -2.295 -4.798 1.00 0.00 H new ATOM 0 HB2 ARG A 114 10.129 -2.303 -7.297 1.00 0.00 H new ATOM 0 HB3 ARG A 114 11.318 -1.426 -6.354 1.00 0.00 H new ATOM 0 HG2 ARG A 114 10.186 -4.134 -5.553 1.00 0.00 H new ATOM 0 HG3 ARG A 114 11.673 -3.926 -6.456 1.00 0.00 H new ATOM 0 HD2 ARG A 114 12.710 -2.717 -4.626 1.00 0.00 H new ATOM 0 HD3 ARG A 114 11.193 -2.622 -3.753 1.00 0.00 H new ATOM 0 HE ARG A 114 11.514 -4.790 -2.959 1.00 0.00 H new ATOM 0 HH11 ARG A 114 13.686 -4.150 -5.676 1.00 0.00 H new ATOM 0 HH12 ARG A 114 14.581 -5.659 -5.461 1.00 0.00 H new ATOM 0 HH21 ARG A 114 12.680 -6.705 -2.682 1.00 0.00 H new ATOM 0 HH22 ARG A 114 14.014 -7.102 -3.771 1.00 0.00 H new ATOM 1472 N VAL A 115 10.002 -0.697 -3.252 1.00 0.00 N ATOM 1473 CA VAL A 115 10.517 0.275 -2.285 1.00 0.00 C ATOM 1474 C VAL A 115 11.623 -0.331 -1.427 1.00 0.00 C ATOM 1475 O VAL A 115 11.412 -1.332 -0.742 1.00 0.00 O ATOM 1476 CB VAL A 115 9.401 0.802 -1.372 1.00 0.00 C ATOM 1477 CG1 VAL A 115 9.902 1.976 -0.544 1.00 0.00 C ATOM 1478 CG2 VAL A 115 8.178 1.197 -2.177 1.00 0.00 C ATOM 0 H VAL A 115 9.712 -1.585 -2.843 1.00 0.00 H new ATOM 0 HA VAL A 115 10.926 1.106 -2.860 1.00 0.00 H new ATOM 0 HB VAL A 115 9.110 -0.001 -0.695 1.00 0.00 H new ATOM 0 HG11 VAL A 115 9.099 2.338 0.098 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.742 1.655 0.072 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.225 2.778 -1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 115 7.404 1.567 -1.505 1.00 0.00 H new ATOM 0 HG22 VAL A 115 8.447 1.980 -2.886 1.00 0.00 H new ATOM 0 HG23 VAL A 115 7.803 0.329 -2.719 1.00 0.00 H new ATOM 1488 N ARG A 116 12.801 0.283 -1.466 1.00 0.00 N ATOM 1489 CA ARG A 116 13.939 -0.195 -0.690 1.00 0.00 C ATOM 1490 C ARG A 116 14.482 0.908 0.199 1.00 0.00 C ATOM 1491 O ARG A 116 14.573 2.067 -0.191 1.00 0.00 O ATOM 1492 CB ARG A 116 15.044 -0.698 -1.621 1.00 0.00 C ATOM 1493 CG ARG A 116 16.203 -1.358 -0.890 1.00 0.00 C ATOM 1494 CD ARG A 116 15.864 -2.782 -0.474 1.00 0.00 C ATOM 1495 NE ARG A 116 16.631 -3.770 -1.236 1.00 0.00 N ATOM 1496 CZ ARG A 116 16.295 -5.056 -1.322 1.00 0.00 C ATOM 1497 NH1 ARG A 116 15.208 -5.511 -0.713 1.00 0.00 N ATOM 1498 NH2 ARG A 116 17.049 -5.887 -2.036 1.00 0.00 N ATOM 0 H ARG A 116 12.992 1.113 -2.027 1.00 0.00 H new ATOM 0 HA ARG A 116 13.599 -1.018 -0.061 1.00 0.00 H new ATOM 0 HB2 ARG A 116 14.617 -1.411 -2.326 1.00 0.00 H new ATOM 0 HB3 ARG A 116 15.424 0.140 -2.206 1.00 0.00 H new ATOM 0 HG2 ARG A 116 17.083 -1.366 -1.534 1.00 0.00 H new ATOM 0 HG3 ARG A 116 16.459 -0.772 -0.008 1.00 0.00 H new ATOM 0 HD2 ARG A 116 16.066 -2.907 0.590 1.00 0.00 H new ATOM 0 HD3 ARG A 116 14.798 -2.959 -0.619 1.00 0.00 H new ATOM 0 HE ARG A 116 17.468 -3.456 -1.727 1.00 0.00 H new ATOM 0 HH11 ARG A 116 14.622 -4.874 -0.173 1.00 0.00 H new ATOM 0 HH12 ARG A 116 14.959 -6.497 -0.784 1.00 0.00 H new ATOM 0 HH21 ARG A 116 17.880 -5.539 -2.514 1.00 0.00 H new ATOM 0 HH22 ARG A 116 16.796 -6.873 -2.105 1.00 0.00 H new ATOM 1512 N VAL A 117 14.841 0.541 1.426 1.00 0.00 N ATOM 1513 CA VAL A 117 15.374 1.501 2.392 1.00 0.00 C ATOM 1514 C VAL A 117 16.899 1.474 2.401 1.00 0.00 C ATOM 1515 O VAL A 117 17.516 0.452 2.099 1.00 0.00 O ATOM 1516 CB VAL A 117 14.843 1.235 3.807 1.00 0.00 C ATOM 1517 CG1 VAL A 117 13.322 1.243 3.828 1.00 0.00 C ATOM 1518 CG2 VAL A 117 15.381 -0.082 4.353 1.00 0.00 C ATOM 0 H VAL A 117 14.773 -0.414 1.776 1.00 0.00 H new ATOM 0 HA VAL A 117 15.037 2.489 2.080 1.00 0.00 H new ATOM 0 HB VAL A 117 15.196 2.039 4.452 1.00 0.00 H new ATOM 0 HG11 VAL A 117 12.971 1.052 4.842 1.00 0.00 H new ATOM 0 HG12 VAL A 117 12.959 2.215 3.495 1.00 0.00 H new ATOM 0 HG13 VAL A 117 12.945 0.467 3.162 1.00 0.00 H new ATOM 0 HG21 VAL A 117 14.990 -0.247 5.357 1.00 0.00 H new ATOM 0 HG22 VAL A 117 15.069 -0.900 3.703 1.00 0.00 H new ATOM 0 HG23 VAL A 117 16.470 -0.043 4.390 1.00 0.00 H new ATOM 1528 N TYR A 118 17.502 2.605 2.764 1.00 0.00 N ATOM 1529 CA TYR A 118 18.958 2.717 2.813 1.00 0.00 C ATOM 1530 C TYR A 118 19.570 1.566 3.616 1.00 0.00 C ATOM 1531 O TYR A 118 20.397 0.814 3.093 1.00 0.00 O ATOM 1532 CB TYR A 118 19.361 4.053 3.439 1.00 0.00 C ATOM 1533 CG TYR A 118 19.444 5.189 2.443 1.00 0.00 C ATOM 1534 CD1 TYR A 118 18.480 5.346 1.464 1.00 0.00 C ATOM 1535 CD2 TYR A 118 20.489 6.103 2.500 1.00 0.00 C ATOM 1536 CE1 TYR A 118 18.554 6.382 0.545 1.00 0.00 C ATOM 1537 CE2 TYR A 118 20.569 7.143 1.585 1.00 0.00 C ATOM 1538 CZ TYR A 118 19.600 7.278 0.614 1.00 0.00 C ATOM 1539 OH TYR A 118 19.676 8.311 -0.284 1.00 0.00 O ATOM 0 H TYR A 118 17.005 3.456 3.028 1.00 0.00 H new ATOM 0 HA TYR A 118 19.336 2.666 1.792 1.00 0.00 H new ATOM 0 HB2 TYR A 118 18.641 4.313 4.215 1.00 0.00 H new ATOM 0 HB3 TYR A 118 20.328 3.938 3.928 1.00 0.00 H new ATOM 0 HD1 TYR A 118 17.656 4.650 1.414 1.00 0.00 H new ATOM 0 HD2 TYR A 118 21.246 6.003 3.264 1.00 0.00 H new ATOM 0 HE1 TYR A 118 17.798 6.486 -0.219 1.00 0.00 H new ATOM 0 HE2 TYR A 118 21.388 7.845 1.633 1.00 0.00 H new ATOM 0 HH TYR A 118 20.473 8.850 -0.096 1.00 0.00 H new ATOM 1549 N GLN A 119 19.160 1.438 4.866 1.00 0.00 N ATOM 1550 CA GLN A 119 19.669 0.380 5.731 1.00 0.00 C ATOM 1551 C GLN A 119 19.093 -0.976 5.334 1.00 0.00 C ATOM 1552 O GLN A 119 17.947 -1.070 4.904 1.00 0.00 O ATOM 1553 CB GLN A 119 19.333 0.682 7.193 1.00 0.00 C ATOM 1554 CG GLN A 119 20.457 1.376 7.945 1.00 0.00 C ATOM 1555 CD GLN A 119 20.929 0.588 9.160 1.00 0.00 C ATOM 1556 OE1 GLN A 119 20.854 1.061 10.286 1.00 0.00 O ATOM 1557 NE2 GLN A 119 21.419 -0.623 8.920 1.00 0.00 N ATOM 0 H GLN A 119 18.476 2.052 5.308 1.00 0.00 H new ATOM 0 HA GLN A 119 20.752 0.341 5.614 1.00 0.00 H new ATOM 0 HB2 GLN A 119 18.441 1.308 7.230 1.00 0.00 H new ATOM 0 HB3 GLN A 119 19.089 -0.251 7.701 1.00 0.00 H new ATOM 0 HG2 GLN A 119 21.298 1.532 7.269 1.00 0.00 H new ATOM 0 HG3 GLN A 119 20.119 2.361 8.266 1.00 0.00 H new ATOM 0 HE21 GLN A 119 21.462 -0.976 7.964 1.00 0.00 H new ATOM 0 HE22 GLN A 119 21.753 -1.200 9.692 1.00 0.00 H new ATOM 1566 N ILE A 120 19.896 -2.023 5.489 1.00 0.00 N ATOM 1567 CA ILE A 120 19.463 -3.376 5.147 1.00 0.00 C ATOM 1568 C ILE A 120 19.296 -4.234 6.399 1.00 0.00 C ATOM 1569 O ILE A 120 20.043 -4.085 7.366 1.00 0.00 O ATOM 1570 CB ILE A 120 20.450 -4.075 4.185 1.00 0.00 C ATOM 1571 CG1 ILE A 120 21.859 -3.503 4.356 1.00 0.00 C ATOM 1572 CG2 ILE A 120 19.976 -3.929 2.745 1.00 0.00 C ATOM 1573 CD1 ILE A 120 22.865 -4.066 3.367 1.00 0.00 C ATOM 0 H ILE A 120 20.849 -1.963 5.848 1.00 0.00 H new ATOM 0 HA ILE A 120 18.501 -3.273 4.644 1.00 0.00 H new ATOM 0 HB ILE A 120 20.484 -5.137 4.428 1.00 0.00 H new ATOM 0 HG12 ILE A 120 21.819 -2.419 4.244 1.00 0.00 H new ATOM 0 HG13 ILE A 120 22.205 -3.706 5.370 1.00 0.00 H new ATOM 0 HG21 ILE A 120 20.680 -4.426 2.078 1.00 0.00 H new ATOM 0 HG22 ILE A 120 18.992 -4.385 2.638 1.00 0.00 H new ATOM 0 HG23 ILE A 120 19.916 -2.872 2.487 1.00 0.00 H new ATOM 0 HD11 ILE A 120 23.842 -3.617 3.546 1.00 0.00 H new ATOM 0 HD12 ILE A 120 22.934 -5.146 3.493 1.00 0.00 H new ATOM 0 HD13 ILE A 120 22.542 -3.840 2.351 1.00 0.00 H new ATOM 1585 N PRO A 121 18.310 -5.149 6.397 1.00 0.00 N ATOM 1586 CA PRO A 121 18.052 -6.031 7.548 1.00 0.00 C ATOM 1587 C PRO A 121 19.305 -6.771 8.004 1.00 0.00 C ATOM 1588 O PRO A 121 20.275 -6.828 7.211 1.00 0.00 O ATOM 1589 CB PRO A 121 17.015 -7.019 7.001 1.00 0.00 C ATOM 1590 CG PRO A 121 16.330 -6.287 5.901 1.00 0.00 C ATOM 1591 CD PRO A 121 17.373 -5.395 5.285 1.00 0.00 C ATOM 1592 OXT PRO A 121 19.306 -7.287 9.134 1.00 0.00 O ATOM 0 HA PRO A 121 17.717 -5.476 8.425 1.00 0.00 H new ATOM 0 HB2 PRO A 121 17.491 -7.928 6.634 1.00 0.00 H new ATOM 0 HB3 PRO A 121 16.309 -7.319 7.775 1.00 0.00 H new ATOM 0 HG2 PRO A 121 15.925 -6.980 5.164 1.00 0.00 H new ATOM 0 HG3 PRO A 121 15.493 -5.703 6.283 1.00 0.00 H new ATOM 0 HD2 PRO A 121 17.867 -5.877 4.442 1.00 0.00 H new ATOM 0 HD3 PRO A 121 16.939 -4.467 4.912 1.00 0.00 H new TER 1600 PRO A 121