USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 748 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 37 GLN :FLIP amide:sc= -1.13 F(o=-9!,f=-5) USER MOD Set 1.2: A 69 GLN : amide:sc= -3.86 K(o=-5,f=-7.4!) USER MOD Set 2.1: A 9 HIS :FLIP no HE2:sc= -1.46 F(o=-5.6!,f=-0.15) USER MOD Set 2.2: A 65 TYR OH : rot 69:sc= 1.31 USER MOD Single : A 6 TYR OH : rot 180:sc= -0.145 USER MOD Single : A 10 THR OG1 : rot -79:sc= -1.01 USER MOD Single : A 14 GLN : amide:sc= -1.46 K(o=-1.5,f=-3.8!) USER MOD Single : A 17 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0157) USER MOD Single : A 19 LYS NZ :NH3+ -178:sc= 0.0773 (180deg=0.0759) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0.19) USER MOD Single : A 24 LYS NZ :NH3+ -169:sc= -0.734 (180deg=-0.818) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.0434 K(o=-0.043,f=-1.5) USER MOD Single : A 34 LYS NZ :NH3+ -161:sc= -1.4 (180deg=-2.1) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.465 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -109:sc= -1.24 (180deg=-4.72!) USER MOD Single : A 70 MET CE :methyl -163:sc= -2.77! (180deg=-4.57!) USER MOD Single : A 79 ASN : amide:sc= -0.013 X(o=-0.013,f=0) USER MOD Single : A 88 THR OG1 : rot 23:sc= -1.74 USER MOD Single : A 105 SER OG : rot 180:sc= -0.0625 USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 116 SER OG : rot 81:sc= -0.718 USER MOD ----------------------------------------------------------------- ATOM 14 N ILE A 3 -1.542 7.541 -9.215 1.00 0.00 N ATOM 15 CA ILE A 3 -0.745 7.326 -8.013 1.00 0.00 C ATOM 16 C ILE A 3 -0.041 5.971 -8.065 1.00 0.00 C ATOM 17 O ILE A 3 -0.042 5.308 -9.101 1.00 0.00 O ATOM 18 CB ILE A 3 -1.608 7.423 -6.739 1.00 0.00 C ATOM 19 CG1 ILE A 3 -2.621 6.277 -6.674 1.00 0.00 C ATOM 20 CG2 ILE A 3 -2.319 8.768 -6.684 1.00 0.00 C ATOM 21 CD1 ILE A 3 -3.716 6.370 -7.716 1.00 0.00 C ATOM 0 HA ILE A 3 0.007 8.114 -7.976 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.950 7.340 -5.874 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.094 5.331 -6.798 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.075 6.262 -5.683 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.925 8.823 -5.779 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.581 9.570 -6.675 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.962 8.876 -7.558 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.395 5.524 -7.607 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -4.270 7.299 -7.580 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.273 6.354 -8.712 1.00 0.00 H new ATOM 33 N GLU A 4 0.566 5.565 -6.952 1.00 0.00 N ATOM 34 CA GLU A 4 1.276 4.290 -6.907 1.00 0.00 C ATOM 35 C GLU A 4 1.212 3.645 -5.524 1.00 0.00 C ATOM 36 O GLU A 4 0.903 4.301 -4.524 1.00 0.00 O ATOM 37 CB GLU A 4 2.737 4.488 -7.319 1.00 0.00 C ATOM 38 CG GLU A 4 3.276 3.372 -8.200 1.00 0.00 C ATOM 39 CD GLU A 4 3.037 3.628 -9.675 1.00 0.00 C ATOM 40 OE1 GLU A 4 3.011 4.810 -10.077 1.00 0.00 O ATOM 41 OE2 GLU A 4 2.876 2.646 -10.429 1.00 0.00 O ATOM 0 H GLU A 4 0.581 6.093 -6.080 1.00 0.00 H new ATOM 0 HA GLU A 4 0.782 3.618 -7.609 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.831 5.436 -7.849 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.352 4.561 -6.422 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.346 3.259 -8.023 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.805 2.431 -7.917 1.00 0.00 H new ATOM 48 N TRP A 5 1.519 2.351 -5.483 1.00 0.00 N ATOM 49 CA TRP A 5 1.511 1.594 -4.238 1.00 0.00 C ATOM 50 C TRP A 5 2.907 1.558 -3.620 1.00 0.00 C ATOM 51 O TRP A 5 3.903 1.393 -4.324 1.00 0.00 O ATOM 52 CB TRP A 5 1.032 0.161 -4.480 1.00 0.00 C ATOM 53 CG TRP A 5 -0.365 0.057 -5.013 1.00 0.00 C ATOM 54 CD1 TRP A 5 -0.772 0.268 -6.299 1.00 0.00 C ATOM 55 CD2 TRP A 5 -1.539 -0.302 -4.275 1.00 0.00 C ATOM 56 NE1 TRP A 5 -2.126 0.053 -6.406 1.00 0.00 N ATOM 57 CE2 TRP A 5 -2.618 -0.297 -5.175 1.00 0.00 C ATOM 58 CE3 TRP A 5 -1.778 -0.630 -2.938 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -3.919 -0.609 -4.780 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -3.067 -0.937 -2.548 1.00 0.00 C ATOM 61 CH2 TRP A 5 -4.123 -0.928 -3.465 1.00 0.00 C ATOM 0 H TRP A 5 1.778 1.804 -6.304 1.00 0.00 H new ATOM 0 HA TRP A 5 0.826 2.091 -3.551 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.712 -0.323 -5.181 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.093 -0.393 -3.543 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -0.125 0.561 -7.113 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.675 0.140 -7.261 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.969 -0.643 -2.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.736 -0.599 -5.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -3.263 -1.189 -1.516 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -5.119 -1.178 -3.129 1.00 0.00 H new ATOM 72 N TYR A 6 2.969 1.701 -2.301 1.00 0.00 N ATOM 73 CA TYR A 6 4.240 1.671 -1.589 1.00 0.00 C ATOM 74 C TYR A 6 4.202 0.627 -0.481 1.00 0.00 C ATOM 75 O TYR A 6 3.496 0.789 0.514 1.00 0.00 O ATOM 76 CB TYR A 6 4.559 3.051 -1.008 1.00 0.00 C ATOM 77 CG TYR A 6 5.274 3.961 -1.981 1.00 0.00 C ATOM 78 CD1 TYR A 6 4.560 4.751 -2.872 1.00 0.00 C ATOM 79 CD2 TYR A 6 6.661 4.026 -2.010 1.00 0.00 C ATOM 80 CE1 TYR A 6 5.209 5.582 -3.765 1.00 0.00 C ATOM 81 CE2 TYR A 6 7.317 4.855 -2.900 1.00 0.00 C ATOM 82 CZ TYR A 6 6.587 5.631 -3.775 1.00 0.00 C ATOM 83 OH TYR A 6 7.236 6.457 -4.663 1.00 0.00 O ATOM 0 H TYR A 6 2.154 1.839 -1.704 1.00 0.00 H new ATOM 0 HA TYR A 6 5.026 1.401 -2.295 1.00 0.00 H new ATOM 0 HB2 TYR A 6 3.631 3.527 -0.691 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.175 2.929 -0.117 1.00 0.00 H new ATOM 0 HD1 TYR A 6 3.481 4.715 -2.867 1.00 0.00 H new ATOM 0 HD2 TYR A 6 7.236 3.419 -1.326 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.640 6.190 -4.452 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.396 4.895 -2.910 1.00 0.00 H new ATOM 0 HH TYR A 6 8.205 6.374 -4.539 1.00 0.00 H new ATOM 93 N ALA A 7 4.953 -0.453 -0.666 1.00 0.00 N ATOM 94 CA ALA A 7 4.991 -1.532 0.312 1.00 0.00 C ATOM 95 C ALA A 7 5.983 -1.244 1.432 1.00 0.00 C ATOM 96 O ALA A 7 6.981 -0.549 1.234 1.00 0.00 O ATOM 97 CB ALA A 7 5.330 -2.848 -0.369 1.00 0.00 C ATOM 0 H ALA A 7 5.543 -0.604 -1.484 1.00 0.00 H new ATOM 0 HA ALA A 7 4.001 -1.607 0.761 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.355 -3.646 0.373 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.573 -3.075 -1.120 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.305 -2.768 -0.849 1.00 0.00 H new ATOM 103 N VAL A 8 5.701 -1.790 2.611 1.00 0.00 N ATOM 104 CA VAL A 8 6.563 -1.607 3.772 1.00 0.00 C ATOM 105 C VAL A 8 6.513 -2.831 4.681 1.00 0.00 C ATOM 106 O VAL A 8 5.604 -3.652 4.579 1.00 0.00 O ATOM 107 CB VAL A 8 6.162 -0.360 4.582 1.00 0.00 C ATOM 108 CG1 VAL A 8 6.496 0.909 3.816 1.00 0.00 C ATOM 109 CG2 VAL A 8 4.682 -0.406 4.934 1.00 0.00 C ATOM 0 H VAL A 8 4.878 -2.366 2.787 1.00 0.00 H new ATOM 0 HA VAL A 8 7.578 -1.471 3.399 1.00 0.00 H new ATOM 0 HB VAL A 8 6.734 -0.355 5.510 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.204 1.778 4.406 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.568 0.945 3.622 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.955 0.916 2.869 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.416 0.483 5.506 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.091 -0.438 4.019 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.477 -1.296 5.530 1.00 0.00 H new ATOM 119 N HIS A 9 7.497 -2.947 5.566 1.00 0.00 N ATOM 120 CA HIS A 9 7.562 -4.076 6.487 1.00 0.00 C ATOM 121 C HIS A 9 7.045 -3.687 7.868 1.00 0.00 C ATOM 122 O HIS A 9 7.131 -2.528 8.271 1.00 0.00 O ATOM 123 CB HIS A 9 8.999 -4.589 6.596 1.00 0.00 C ATOM 124 CG HIS A 9 9.674 -4.768 5.272 1.00 0.00 C ATOM 125 ND1 HIS A 9 9.783 -3.933 4.211 1.00 0.00 N flip ATOM 126 CD2 HIS A 9 10.345 -5.921 4.920 1.00 0.00 C flip ATOM 127 CE1 HIS A 9 10.510 -4.590 3.249 1.00 0.00 C flip ATOM 128 NE2 HIS A 9 10.838 -5.786 3.702 1.00 0.00 N flip ATOM 0 H HIS A 9 8.258 -2.275 5.665 1.00 0.00 H new ATOM 0 HA HIS A 9 6.927 -4.869 6.092 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.580 -3.891 7.199 1.00 0.00 H new ATOM 0 HB3 HIS A 9 8.996 -5.542 7.125 1.00 0.00 H new ATOM 0 HD1 HIS A 9 9.397 -2.992 4.140 1.00 0.00 H new ATOM 0 HD2 HIS A 9 10.451 -6.797 5.543 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.771 -4.193 2.279 1.00 0.00 H new ATOM 137 N THR A 10 6.508 -4.668 8.588 1.00 0.00 N ATOM 138 CA THR A 10 5.977 -4.432 9.926 1.00 0.00 C ATOM 139 C THR A 10 6.130 -5.675 10.796 1.00 0.00 C ATOM 140 O THR A 10 6.676 -6.688 10.357 1.00 0.00 O ATOM 141 CB THR A 10 4.503 -4.030 9.850 1.00 0.00 C ATOM 142 OG1 THR A 10 3.698 -5.136 9.480 1.00 0.00 O ATOM 143 CG2 THR A 10 4.236 -2.917 8.861 1.00 0.00 C ATOM 0 H THR A 10 6.429 -5.633 8.267 1.00 0.00 H new ATOM 0 HA THR A 10 6.545 -3.619 10.377 1.00 0.00 H new ATOM 0 HB THR A 10 4.250 -3.675 10.849 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.759 -5.275 8.512 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.172 -2.681 8.857 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.803 -2.031 9.148 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.541 -3.235 7.864 1.00 0.00 H new ATOM 151 N LEU A 11 5.647 -5.591 12.031 1.00 0.00 N ATOM 152 CA LEU A 11 5.729 -6.710 12.962 1.00 0.00 C ATOM 153 C LEU A 11 4.500 -7.606 12.847 1.00 0.00 C ATOM 154 O LEU A 11 3.380 -7.122 12.687 1.00 0.00 O ATOM 155 CB LEU A 11 5.874 -6.197 14.396 1.00 0.00 C ATOM 156 CG LEU A 11 6.960 -6.886 15.225 1.00 0.00 C ATOM 157 CD1 LEU A 11 7.124 -6.197 16.570 1.00 0.00 C ATOM 158 CD2 LEU A 11 6.629 -8.359 15.415 1.00 0.00 C ATOM 0 H LEU A 11 5.195 -4.759 12.410 1.00 0.00 H new ATOM 0 HA LEU A 11 6.608 -7.301 12.706 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.087 -5.128 14.363 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.918 -6.316 14.907 1.00 0.00 H new ATOM 0 HG LEU A 11 7.904 -6.812 14.686 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.901 -6.701 17.145 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.407 -5.156 16.413 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.182 -6.239 17.117 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.411 -8.834 16.007 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.674 -8.454 15.933 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.564 -8.846 14.442 1.00 0.00 H new ATOM 170 N VAL A 12 4.718 -8.914 12.933 1.00 0.00 N ATOM 171 CA VAL A 12 3.628 -9.878 12.840 1.00 0.00 C ATOM 172 C VAL A 12 2.627 -9.685 13.975 1.00 0.00 C ATOM 173 O VAL A 12 2.997 -9.696 15.149 1.00 0.00 O ATOM 174 CB VAL A 12 4.153 -11.327 12.873 1.00 0.00 C ATOM 175 CG1 VAL A 12 3.022 -12.312 12.619 1.00 0.00 C ATOM 176 CG2 VAL A 12 5.271 -11.516 11.860 1.00 0.00 C ATOM 0 H VAL A 12 5.639 -9.331 13.067 1.00 0.00 H new ATOM 0 HA VAL A 12 3.131 -9.703 11.886 1.00 0.00 H new ATOM 0 HB VAL A 12 4.558 -11.522 13.866 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.412 -13.329 12.646 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.259 -12.196 13.388 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.583 -12.118 11.640 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.628 -12.545 11.899 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.896 -11.300 10.860 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.092 -10.838 12.094 1.00 0.00 H new ATOM 186 N GLY A 13 1.360 -9.509 13.617 1.00 0.00 N ATOM 187 CA GLY A 13 0.326 -9.317 14.618 1.00 0.00 C ATOM 188 C GLY A 13 0.007 -7.852 14.847 1.00 0.00 C ATOM 189 O GLY A 13 -1.153 -7.488 15.046 1.00 0.00 O ATOM 0 H GLY A 13 1.030 -9.496 12.652 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.579 -9.839 14.306 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.646 -9.767 15.558 1.00 0.00 H new ATOM 193 N GLN A 14 1.035 -7.012 14.818 1.00 0.00 N ATOM 194 CA GLN A 14 0.860 -5.580 15.024 1.00 0.00 C ATOM 195 C GLN A 14 0.432 -4.888 13.732 1.00 0.00 C ATOM 196 O GLN A 14 -0.141 -3.798 13.761 1.00 0.00 O ATOM 197 CB GLN A 14 2.157 -4.957 15.547 1.00 0.00 C ATOM 198 CG GLN A 14 1.944 -3.996 16.705 1.00 0.00 C ATOM 199 CD GLN A 14 1.623 -2.589 16.244 1.00 0.00 C ATOM 200 OE1 GLN A 14 2.459 -1.912 15.645 1.00 0.00 O ATOM 201 NE2 GLN A 14 0.405 -2.138 16.521 1.00 0.00 N ATOM 0 H GLN A 14 2.000 -7.299 14.654 1.00 0.00 H new ATOM 0 HA GLN A 14 0.073 -5.440 15.764 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.831 -5.753 15.865 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.651 -4.428 14.732 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.131 -4.363 17.332 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.840 -3.976 17.325 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.258 -2.732 17.020 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.132 -1.198 16.235 1.00 0.00 H new ATOM 210 N GLU A 15 0.709 -5.527 12.598 1.00 0.00 N ATOM 211 CA GLU A 15 0.352 -4.970 11.297 1.00 0.00 C ATOM 212 C GLU A 15 -1.137 -4.642 11.231 1.00 0.00 C ATOM 213 O GLU A 15 -1.529 -3.587 10.731 1.00 0.00 O ATOM 214 CB GLU A 15 0.717 -5.953 10.182 1.00 0.00 C ATOM 215 CG GLU A 15 0.708 -5.329 8.794 1.00 0.00 C ATOM 216 CD GLU A 15 -0.138 -6.112 7.809 1.00 0.00 C ATOM 217 OE1 GLU A 15 0.192 -7.286 7.545 1.00 0.00 O ATOM 218 OE2 GLU A 15 -1.130 -5.548 7.299 1.00 0.00 O ATOM 0 H GLU A 15 1.180 -6.431 12.554 1.00 0.00 H new ATOM 0 HA GLU A 15 0.914 -4.046 11.160 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.707 -6.364 10.380 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.016 -6.788 10.201 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.331 -4.309 8.861 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.730 -5.267 8.421 1.00 0.00 H new ATOM 225 N GLU A 16 -1.962 -5.551 11.743 1.00 0.00 N ATOM 226 CA GLU A 16 -3.409 -5.359 11.744 1.00 0.00 C ATOM 227 C GLU A 16 -3.786 -4.043 12.417 1.00 0.00 C ATOM 228 O GLU A 16 -4.600 -3.279 11.898 1.00 0.00 O ATOM 229 CB GLU A 16 -4.098 -6.524 12.454 1.00 0.00 C ATOM 230 CG GLU A 16 -4.150 -7.799 11.628 1.00 0.00 C ATOM 231 CD GLU A 16 -4.573 -9.005 12.443 1.00 0.00 C ATOM 232 OE1 GLU A 16 -3.759 -9.482 13.263 1.00 0.00 O ATOM 233 OE2 GLU A 16 -5.717 -9.473 12.261 1.00 0.00 O ATOM 0 H GLU A 16 -1.653 -6.428 12.163 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.745 -5.323 10.708 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.576 -6.728 13.389 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.114 -6.229 12.715 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.845 -7.663 10.800 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.168 -7.986 11.193 1.00 0.00 H new ATOM 240 N LYS A 17 -3.191 -3.787 13.576 1.00 0.00 N ATOM 241 CA LYS A 17 -3.464 -2.562 14.320 1.00 0.00 C ATOM 242 C LYS A 17 -2.653 -1.393 13.768 1.00 0.00 C ATOM 243 O LYS A 17 -3.037 -0.233 13.920 1.00 0.00 O ATOM 244 CB LYS A 17 -3.152 -2.764 15.805 1.00 0.00 C ATOM 245 CG LYS A 17 -4.333 -2.466 16.717 1.00 0.00 C ATOM 246 CD LYS A 17 -4.613 -3.618 17.672 1.00 0.00 C ATOM 247 CE LYS A 17 -4.193 -3.281 19.094 1.00 0.00 C ATOM 248 NZ LYS A 17 -2.728 -3.035 19.198 1.00 0.00 N ATOM 0 H LYS A 17 -2.517 -4.410 14.021 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.522 -2.326 14.207 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.830 -3.793 15.964 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.316 -2.122 16.084 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.131 -1.560 17.289 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.219 -2.271 16.113 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.676 -3.857 17.653 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.080 -4.508 17.336 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.734 -2.397 19.432 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.472 -4.099 19.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.478 -2.842 20.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.211 -3.874 18.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.471 -2.216 18.610 1.00 0.00 H new ATOM 262 N ALA A 18 -1.530 -1.705 13.127 1.00 0.00 N ATOM 263 CA ALA A 18 -0.668 -0.676 12.555 1.00 0.00 C ATOM 264 C ALA A 18 -1.419 0.157 11.521 1.00 0.00 C ATOM 265 O ALA A 18 -1.404 1.386 11.571 1.00 0.00 O ATOM 266 CB ALA A 18 0.565 -1.311 11.930 1.00 0.00 C ATOM 0 H ALA A 18 -1.197 -2.659 12.991 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.353 -0.011 13.359 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.200 -0.533 11.507 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.120 -1.857 12.693 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.260 -1.999 11.142 1.00 0.00 H new ATOM 272 N LYS A 19 -2.076 -0.521 10.586 1.00 0.00 N ATOM 273 CA LYS A 19 -2.832 0.158 9.540 1.00 0.00 C ATOM 274 C LYS A 19 -3.932 1.026 10.140 1.00 0.00 C ATOM 275 O LYS A 19 -4.269 2.081 9.602 1.00 0.00 O ATOM 276 CB LYS A 19 -3.441 -0.862 8.575 1.00 0.00 C ATOM 277 CG LYS A 19 -4.226 -1.963 9.269 1.00 0.00 C ATOM 278 CD LYS A 19 -5.393 -2.441 8.416 1.00 0.00 C ATOM 279 CE LYS A 19 -6.726 -2.197 9.104 1.00 0.00 C ATOM 280 NZ LYS A 19 -7.157 -3.371 9.913 1.00 0.00 N ATOM 0 H LYS A 19 -2.100 -1.539 10.531 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.145 0.801 8.991 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.099 -0.343 7.878 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.643 -1.313 7.985 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.564 -2.802 9.485 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.599 -1.597 10.226 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.378 -1.925 7.456 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.280 -3.505 8.207 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.647 -1.321 9.748 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.486 -1.974 8.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.086 -3.177 10.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.225 -4.209 9.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.462 -3.548 10.666 1.00 0.00 H new ATOM 294 N ALA A 20 -4.490 0.577 11.260 1.00 0.00 N ATOM 295 CA ALA A 20 -5.551 1.314 11.935 1.00 0.00 C ATOM 296 C ALA A 20 -5.008 2.576 12.595 1.00 0.00 C ATOM 297 O ALA A 20 -5.530 3.670 12.389 1.00 0.00 O ATOM 298 CB ALA A 20 -6.237 0.429 12.964 1.00 0.00 C ATOM 0 H ALA A 20 -4.224 -0.294 11.719 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.284 1.615 11.186 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.027 0.993 13.460 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.669 -0.440 12.467 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.508 0.099 13.704 1.00 0.00 H new ATOM 304 N ASN A 21 -3.953 2.414 13.390 1.00 0.00 N ATOM 305 CA ASN A 21 -3.338 3.542 14.078 1.00 0.00 C ATOM 306 C ASN A 21 -2.843 4.579 13.077 1.00 0.00 C ATOM 307 O ASN A 21 -2.867 5.781 13.346 1.00 0.00 O ATOM 308 CB ASN A 21 -2.178 3.063 14.954 1.00 0.00 C ATOM 309 CG ASN A 21 -2.635 2.632 16.333 1.00 0.00 C ATOM 310 OD1 ASN A 21 -3.206 1.555 16.502 1.00 0.00 O ATOM 311 ND2 ASN A 21 -2.385 3.474 17.329 1.00 0.00 N ATOM 0 H ASN A 21 -3.508 1.514 13.572 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.092 4.006 14.713 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.676 2.229 14.463 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.445 3.864 15.051 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.669 3.238 18.280 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.909 4.357 17.143 1.00 0.00 H new ATOM 318 N LEU A 22 -2.400 4.107 11.916 1.00 0.00 N ATOM 319 CA LEU A 22 -1.905 4.990 10.870 1.00 0.00 C ATOM 320 C LEU A 22 -3.059 5.729 10.202 1.00 0.00 C ATOM 321 O LEU A 22 -3.071 6.959 10.141 1.00 0.00 O ATOM 322 CB LEU A 22 -1.120 4.191 9.825 1.00 0.00 C ATOM 323 CG LEU A 22 -0.659 4.990 8.606 1.00 0.00 C ATOM 324 CD1 LEU A 22 0.354 6.049 9.012 1.00 0.00 C ATOM 325 CD2 LEU A 22 -0.071 4.062 7.554 1.00 0.00 C ATOM 0 H LEU A 22 -2.374 3.116 11.677 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.240 5.722 11.327 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.244 3.756 10.306 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.740 3.363 9.483 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.525 5.493 8.176 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.670 6.607 8.131 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.101 6.732 9.730 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.220 5.569 9.467 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.252 4.647 6.693 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.784 3.531 7.974 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.827 3.342 7.241 1.00 0.00 H new ATOM 337 N GLU A 23 -4.034 4.969 9.705 1.00 0.00 N ATOM 338 CA GLU A 23 -5.199 5.550 9.043 1.00 0.00 C ATOM 339 C GLU A 23 -5.816 6.656 9.893 1.00 0.00 C ATOM 340 O GLU A 23 -6.391 7.609 9.367 1.00 0.00 O ATOM 341 CB GLU A 23 -6.240 4.465 8.762 1.00 0.00 C ATOM 342 CG GLU A 23 -7.424 4.956 7.944 1.00 0.00 C ATOM 343 CD GLU A 23 -8.623 5.306 8.806 1.00 0.00 C ATOM 344 OE1 GLU A 23 -8.514 6.248 9.618 1.00 0.00 O ATOM 345 OE2 GLU A 23 -9.668 4.638 8.666 1.00 0.00 O ATOM 0 H GLU A 23 -4.039 3.950 9.749 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.871 5.986 8.099 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.760 3.641 8.234 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.603 4.067 9.710 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.126 5.833 7.370 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.709 4.187 7.226 1.00 0.00 H new ATOM 352 N LYS A 24 -5.690 6.526 11.210 1.00 0.00 N ATOM 353 CA LYS A 24 -6.231 7.518 12.131 1.00 0.00 C ATOM 354 C LYS A 24 -5.404 8.798 12.092 1.00 0.00 C ATOM 355 O LYS A 24 -5.950 9.901 12.079 1.00 0.00 O ATOM 356 CB LYS A 24 -6.263 6.960 13.556 1.00 0.00 C ATOM 357 CG LYS A 24 -7.225 7.697 14.476 1.00 0.00 C ATOM 358 CD LYS A 24 -6.594 7.985 15.829 1.00 0.00 C ATOM 359 CE LYS A 24 -5.489 9.024 15.718 1.00 0.00 C ATOM 360 NZ LYS A 24 -6.029 10.382 15.432 1.00 0.00 N ATOM 0 H LYS A 24 -5.218 5.743 11.663 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.249 7.752 11.819 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.543 5.907 13.519 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.260 7.008 13.979 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.530 8.634 14.009 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.127 7.101 14.614 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.359 8.338 16.521 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.188 7.063 16.246 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.919 9.048 16.647 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.797 8.735 14.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.248 11.020 15.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.701 10.329 14.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.516 10.747 16.275 1.00 0.00 H new ATOM 374 N ARG A 25 -4.084 8.643 12.069 1.00 0.00 N ATOM 375 CA ARG A 25 -3.181 9.787 12.027 1.00 0.00 C ATOM 376 C ARG A 25 -3.319 10.533 10.705 1.00 0.00 C ATOM 377 O ARG A 25 -3.202 11.757 10.655 1.00 0.00 O ATOM 378 CB ARG A 25 -1.734 9.332 12.221 1.00 0.00 C ATOM 379 CG ARG A 25 -1.432 8.848 13.631 1.00 0.00 C ATOM 380 CD ARG A 25 -0.857 9.963 14.490 1.00 0.00 C ATOM 381 NE ARG A 25 -0.189 9.445 15.682 1.00 0.00 N ATOM 382 CZ ARG A 25 1.042 8.938 15.681 1.00 0.00 C ATOM 383 NH1 ARG A 25 1.741 8.879 14.554 1.00 0.00 N ATOM 384 NH2 ARG A 25 1.575 8.489 16.809 1.00 0.00 N ATOM 0 H ARG A 25 -3.616 7.737 12.079 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.451 10.463 12.839 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.517 8.530 11.516 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.066 10.159 11.979 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.345 8.467 14.090 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.726 8.018 13.589 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.148 10.546 13.901 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.657 10.641 14.788 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.696 9.474 16.567 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.335 9.223 13.684 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.684 8.490 14.558 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.042 8.532 17.678 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.518 8.101 16.808 1.00 0.00 H new ATOM 398 N ILE A 26 -3.571 9.786 9.635 1.00 0.00 N ATOM 399 CA ILE A 26 -3.729 10.373 8.311 1.00 0.00 C ATOM 400 C ILE A 26 -5.021 11.180 8.226 1.00 0.00 C ATOM 401 O ILE A 26 -5.098 12.173 7.502 1.00 0.00 O ATOM 402 CB ILE A 26 -3.731 9.289 7.211 1.00 0.00 C ATOM 403 CG1 ILE A 26 -2.472 8.425 7.318 1.00 0.00 C ATOM 404 CG2 ILE A 26 -3.826 9.925 5.830 1.00 0.00 C ATOM 405 CD1 ILE A 26 -1.192 9.185 7.046 1.00 0.00 C ATOM 0 H ILE A 26 -3.670 8.771 9.660 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.878 11.035 8.149 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.604 8.653 7.354 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.422 7.992 8.317 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.549 7.596 6.614 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.826 9.144 5.069 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.748 10.502 5.758 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.972 10.584 5.674 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.341 8.510 7.140 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.220 9.596 6.037 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.091 9.997 7.766 1.00 0.00 H new ATOM 417 N LYS A 27 -6.034 10.747 8.970 1.00 0.00 N ATOM 418 CA LYS A 27 -7.322 11.431 8.979 1.00 0.00 C ATOM 419 C LYS A 27 -7.313 12.599 9.961 1.00 0.00 C ATOM 420 O LYS A 27 -7.970 13.615 9.737 1.00 0.00 O ATOM 421 CB LYS A 27 -8.440 10.453 9.345 1.00 0.00 C ATOM 422 CG LYS A 27 -9.815 10.898 8.872 1.00 0.00 C ATOM 423 CD LYS A 27 -10.233 10.173 7.601 1.00 0.00 C ATOM 424 CE LYS A 27 -11.653 9.636 7.702 1.00 0.00 C ATOM 425 NZ LYS A 27 -11.676 8.159 7.890 1.00 0.00 N ATOM 0 H LYS A 27 -5.988 9.926 9.574 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.503 11.823 7.978 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.214 9.478 8.914 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.461 10.326 10.427 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.548 10.710 9.656 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.808 11.973 8.693 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.161 10.854 6.753 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.545 9.350 7.408 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.164 10.116 8.536 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.204 9.896 6.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.661 7.833 7.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.211 7.699 7.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.172 7.913 8.766 1.00 0.00 H new ATOM 439 N ALA A 28 -6.563 12.446 11.047 1.00 0.00 N ATOM 440 CA ALA A 28 -6.468 13.488 12.063 1.00 0.00 C ATOM 441 C ALA A 28 -5.599 14.643 11.578 1.00 0.00 C ATOM 442 O ALA A 28 -5.928 15.811 11.788 1.00 0.00 O ATOM 443 CB ALA A 28 -5.912 12.914 13.357 1.00 0.00 C ATOM 0 H ALA A 28 -6.012 11.611 11.246 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.470 13.873 12.252 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.847 13.703 14.106 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.571 12.125 13.718 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.919 12.503 13.176 1.00 0.00 H new ATOM 449 N PHE A 29 -4.491 14.309 10.929 1.00 0.00 N ATOM 450 CA PHE A 29 -3.574 15.316 10.411 1.00 0.00 C ATOM 451 C PHE A 29 -4.072 15.877 9.082 1.00 0.00 C ATOM 452 O PHE A 29 -3.743 17.003 8.710 1.00 0.00 O ATOM 453 CB PHE A 29 -2.175 14.721 10.234 1.00 0.00 C ATOM 454 CG PHE A 29 -1.376 14.676 11.505 1.00 0.00 C ATOM 455 CD1 PHE A 29 -1.066 15.843 12.184 1.00 0.00 C ATOM 456 CD2 PHE A 29 -0.937 13.467 12.021 1.00 0.00 C ATOM 457 CE1 PHE A 29 -0.331 15.806 13.354 1.00 0.00 C ATOM 458 CE2 PHE A 29 -0.202 13.425 13.191 1.00 0.00 C ATOM 459 CZ PHE A 29 0.102 14.595 13.858 1.00 0.00 C ATOM 0 H PHE A 29 -4.205 13.347 10.749 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.526 16.131 11.133 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.267 13.710 9.836 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.631 15.307 9.493 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.402 16.793 11.795 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.172 12.548 11.504 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.095 16.723 13.874 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.135 12.477 13.583 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.677 14.563 14.772 1.00 0.00 H new ATOM 469 N GLY A 30 -4.868 15.083 8.369 1.00 0.00 N ATOM 470 CA GLY A 30 -5.397 15.521 7.091 1.00 0.00 C ATOM 471 C GLY A 30 -4.487 15.158 5.934 1.00 0.00 C ATOM 472 O GLY A 30 -4.284 15.958 5.022 1.00 0.00 O ATOM 0 H GLY A 30 -5.155 14.147 8.654 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.377 15.072 6.933 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.541 16.601 7.111 1.00 0.00 H new ATOM 476 N LEU A 31 -3.936 13.950 5.974 1.00 0.00 N ATOM 477 CA LEU A 31 -3.042 13.483 4.923 1.00 0.00 C ATOM 478 C LEU A 31 -3.777 12.572 3.945 1.00 0.00 C ATOM 479 O LEU A 31 -3.175 11.688 3.335 1.00 0.00 O ATOM 480 CB LEU A 31 -1.849 12.741 5.531 1.00 0.00 C ATOM 481 CG LEU A 31 -1.121 13.493 6.647 1.00 0.00 C ATOM 482 CD1 LEU A 31 -0.653 12.527 7.725 1.00 0.00 C ATOM 483 CD2 LEU A 31 0.055 14.276 6.081 1.00 0.00 C ATOM 0 H LEU A 31 -4.093 13.277 6.724 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.680 14.354 4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.196 11.785 5.924 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.136 12.519 4.737 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.818 14.198 7.100 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.137 13.080 8.510 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.514 12.011 8.150 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.028 11.797 7.288 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.562 14.805 6.888 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.753 13.589 5.603 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.307 14.995 5.346 1.00 0.00 H new ATOM 495 N GLN A 32 -5.079 12.791 3.798 1.00 0.00 N ATOM 496 CA GLN A 32 -5.891 11.989 2.892 1.00 0.00 C ATOM 497 C GLN A 32 -5.582 12.319 1.431 1.00 0.00 C ATOM 498 O GLN A 32 -6.020 11.615 0.522 1.00 0.00 O ATOM 499 CB GLN A 32 -7.379 12.206 3.175 1.00 0.00 C ATOM 500 CG GLN A 32 -8.138 10.917 3.448 1.00 0.00 C ATOM 501 CD GLN A 32 -9.521 11.163 4.018 1.00 0.00 C ATOM 502 OE1 GLN A 32 -9.854 12.281 4.410 1.00 0.00 O ATOM 503 NE2 GLN A 32 -10.335 10.115 4.068 1.00 0.00 N ATOM 0 H GLN A 32 -5.594 13.518 4.295 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.645 10.941 3.064 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.485 12.869 4.033 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.833 12.712 2.323 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.227 10.349 2.522 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.566 10.304 4.144 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -10.017 9.206 3.732 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.278 10.219 4.443 1.00 0.00 H new ATOM 512 N ASP A 33 -4.824 13.391 1.212 1.00 0.00 N ATOM 513 CA ASP A 33 -4.459 13.804 -0.138 1.00 0.00 C ATOM 514 C ASP A 33 -3.304 12.961 -0.671 1.00 0.00 C ATOM 515 O ASP A 33 -3.138 12.815 -1.880 1.00 0.00 O ATOM 516 CB ASP A 33 -4.079 15.286 -0.153 1.00 0.00 C ATOM 517 CG ASP A 33 -3.882 15.817 -1.559 1.00 0.00 C ATOM 518 OD1 ASP A 33 -2.764 15.678 -2.096 1.00 0.00 O ATOM 519 OD2 ASP A 33 -4.848 16.374 -2.123 1.00 0.00 O ATOM 0 H ASP A 33 -4.452 13.987 1.951 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.322 13.652 -0.786 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.858 15.863 0.345 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.162 15.429 0.418 1.00 0.00 H new ATOM 524 N LYS A 34 -2.508 12.409 0.241 1.00 0.00 N ATOM 525 CA LYS A 34 -1.371 11.579 -0.139 1.00 0.00 C ATOM 526 C LYS A 34 -1.790 10.119 -0.275 1.00 0.00 C ATOM 527 O LYS A 34 -1.575 9.495 -1.315 1.00 0.00 O ATOM 528 CB LYS A 34 -0.249 11.709 0.894 1.00 0.00 C ATOM 529 CG LYS A 34 0.776 12.776 0.547 1.00 0.00 C ATOM 530 CD LYS A 34 0.157 14.164 0.544 1.00 0.00 C ATOM 531 CE LYS A 34 0.164 14.781 1.933 1.00 0.00 C ATOM 532 NZ LYS A 34 -1.146 14.612 2.622 1.00 0.00 N ATOM 0 H LYS A 34 -2.630 12.522 1.247 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.004 11.925 -1.105 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.686 11.939 1.866 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.257 10.749 0.991 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.594 12.743 1.266 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.204 12.565 -0.433 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.707 14.807 -0.143 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.867 14.106 0.176 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.951 14.321 2.531 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.400 15.842 1.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.220 15.298 3.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.918 14.774 1.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.216 13.647 3.003 1.00 0.00 H new ATOM 546 N ILE A 35 -2.394 9.582 0.779 1.00 0.00 N ATOM 547 CA ILE A 35 -2.850 8.197 0.778 1.00 0.00 C ATOM 548 C ILE A 35 -4.263 8.095 0.214 1.00 0.00 C ATOM 549 O ILE A 35 -5.122 8.921 0.522 1.00 0.00 O ATOM 550 CB ILE A 35 -2.829 7.595 2.197 1.00 0.00 C ATOM 551 CG1 ILE A 35 -1.450 7.783 2.834 1.00 0.00 C ATOM 552 CG2 ILE A 35 -3.201 6.121 2.157 1.00 0.00 C ATOM 553 CD1 ILE A 35 -1.246 9.151 3.446 1.00 0.00 C ATOM 0 H ILE A 35 -2.579 10.086 1.646 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.163 7.633 0.147 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.566 8.118 2.806 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.309 7.025 3.604 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.684 7.615 2.077 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.181 5.713 3.168 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.202 6.010 1.741 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.487 5.582 1.534 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.247 9.211 3.878 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.355 9.914 2.675 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.989 9.315 4.226 1.00 0.00 H new ATOM 565 N PHE A 36 -4.498 7.083 -0.615 1.00 0.00 N ATOM 566 CA PHE A 36 -5.812 6.888 -1.218 1.00 0.00 C ATOM 567 C PHE A 36 -6.299 5.459 -1.043 1.00 0.00 C ATOM 568 O PHE A 36 -7.385 5.222 -0.512 1.00 0.00 O ATOM 569 CB PHE A 36 -5.775 7.220 -2.710 1.00 0.00 C ATOM 570 CG PHE A 36 -5.001 8.463 -3.033 1.00 0.00 C ATOM 571 CD1 PHE A 36 -5.552 9.715 -2.822 1.00 0.00 C ATOM 572 CD2 PHE A 36 -3.721 8.375 -3.547 1.00 0.00 C ATOM 573 CE1 PHE A 36 -4.837 10.859 -3.119 1.00 0.00 C ATOM 574 CE2 PHE A 36 -3.000 9.513 -3.846 1.00 0.00 C ATOM 575 CZ PHE A 36 -3.558 10.759 -3.633 1.00 0.00 C ATOM 0 H PHE A 36 -3.800 6.389 -0.884 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.502 7.560 -0.708 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.337 6.380 -3.249 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.796 7.334 -3.073 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.551 9.798 -2.421 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.280 7.404 -3.717 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.277 11.831 -2.950 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.000 9.430 -4.246 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.997 11.651 -3.867 1.00 0.00 H new ATOM 585 N GLN A 37 -5.504 4.505 -1.514 1.00 0.00 N ATOM 586 CA GLN A 37 -5.878 3.100 -1.427 1.00 0.00 C ATOM 587 C GLN A 37 -5.023 2.341 -0.418 1.00 0.00 C ATOM 588 O GLN A 37 -3.799 2.470 -0.396 1.00 0.00 O ATOM 589 CB GLN A 37 -5.774 2.445 -2.806 1.00 0.00 C ATOM 590 CG GLN A 37 -7.095 1.909 -3.316 1.00 0.00 C ATOM 591 CD GLN A 37 -7.414 2.367 -4.727 1.00 0.00 C ATOM 592 OE1 GLN A 37 -6.906 1.641 -5.714 1.00 0.00 O flip ATOM 593 NE2 GLN A 37 -8.111 3.363 -4.925 1.00 0.00 N flip ATOM 0 H GLN A 37 -4.602 4.678 -1.957 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.910 3.055 -1.078 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.386 3.173 -3.518 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.053 1.629 -2.760 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.074 0.820 -3.289 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.894 2.229 -2.647 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.481 3.892 -4.135 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.318 3.659 -5.879 1.00 0.00 H new ATOM 602 N VAL A 38 -5.688 1.540 0.409 1.00 0.00 N ATOM 603 CA VAL A 38 -5.013 0.738 1.421 1.00 0.00 C ATOM 604 C VAL A 38 -5.389 -0.732 1.268 1.00 0.00 C ATOM 605 O VAL A 38 -6.458 -1.158 1.705 1.00 0.00 O ATOM 606 CB VAL A 38 -5.369 1.204 2.844 1.00 0.00 C ATOM 607 CG1 VAL A 38 -4.646 2.498 3.181 1.00 0.00 C ATOM 608 CG2 VAL A 38 -6.874 1.373 2.991 1.00 0.00 C ATOM 0 H VAL A 38 -6.702 1.430 0.396 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.940 0.864 1.273 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.042 0.439 3.548 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.911 2.811 4.191 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.569 2.339 3.121 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.938 3.273 2.473 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.106 1.703 4.004 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.228 2.117 2.277 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.368 0.421 2.798 1.00 0.00 H new ATOM 618 N LEU A 39 -4.509 -1.499 0.634 1.00 0.00 N ATOM 619 CA LEU A 39 -4.756 -2.919 0.409 1.00 0.00 C ATOM 620 C LEU A 39 -3.806 -3.780 1.234 1.00 0.00 C ATOM 621 O LEU A 39 -2.585 -3.644 1.139 1.00 0.00 O ATOM 622 CB LEU A 39 -4.609 -3.249 -1.081 1.00 0.00 C ATOM 623 CG LEU A 39 -5.023 -4.665 -1.496 1.00 0.00 C ATOM 624 CD1 LEU A 39 -3.830 -5.606 -1.443 1.00 0.00 C ATOM 625 CD2 LEU A 39 -6.154 -5.189 -0.620 1.00 0.00 C ATOM 0 H LEU A 39 -3.619 -1.162 0.267 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.775 -3.141 0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.203 -2.535 -1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.568 -3.097 -1.366 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.387 -4.620 -2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.143 -6.607 -1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.056 -5.250 -2.123 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.435 -5.636 -0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.425 -6.195 -0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.827 -5.214 0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.020 -4.533 -0.713 1.00 0.00 H new ATOM 637 N ILE A 40 -4.374 -4.670 2.040 1.00 0.00 N ATOM 638 CA ILE A 40 -3.583 -5.557 2.880 1.00 0.00 C ATOM 639 C ILE A 40 -3.210 -6.833 2.125 1.00 0.00 C ATOM 640 O ILE A 40 -4.080 -7.531 1.604 1.00 0.00 O ATOM 641 CB ILE A 40 -4.346 -5.931 4.169 1.00 0.00 C ATOM 642 CG1 ILE A 40 -3.479 -6.817 5.068 1.00 0.00 C ATOM 643 CG2 ILE A 40 -5.658 -6.628 3.831 1.00 0.00 C ATOM 644 CD1 ILE A 40 -4.099 -7.095 6.419 1.00 0.00 C ATOM 0 H ILE A 40 -5.382 -4.795 2.128 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.673 -5.021 3.151 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.576 -5.014 4.712 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.293 -7.764 4.561 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.511 -6.337 5.213 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.182 -6.884 4.752 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.280 -5.962 3.233 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.452 -7.537 3.266 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.431 -7.728 7.003 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.260 -6.154 6.946 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.054 -7.603 6.284 1.00 0.00 H new ATOM 656 N PRO A 41 -1.904 -7.157 2.050 1.00 0.00 N ATOM 657 CA PRO A 41 -1.424 -8.354 1.349 1.00 0.00 C ATOM 658 C PRO A 41 -1.955 -9.646 1.965 1.00 0.00 C ATOM 659 O PRO A 41 -1.234 -10.350 2.673 1.00 0.00 O ATOM 660 CB PRO A 41 0.099 -8.278 1.498 1.00 0.00 C ATOM 661 CG PRO A 41 0.329 -7.375 2.660 1.00 0.00 C ATOM 662 CD PRO A 41 -0.795 -6.384 2.634 1.00 0.00 C ATOM 0 HA PRO A 41 -1.762 -8.374 0.313 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.528 -9.264 1.674 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.565 -7.885 0.594 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.336 -7.935 3.595 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.294 -6.874 2.581 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.037 -6.022 3.633 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.549 -5.511 2.030 1.00 0.00 H new ATOM 670 N THR A 42 -3.217 -9.952 1.688 1.00 0.00 N ATOM 671 CA THR A 42 -3.845 -11.159 2.211 1.00 0.00 C ATOM 672 C THR A 42 -5.066 -11.538 1.381 1.00 0.00 C ATOM 673 O THR A 42 -5.703 -10.682 0.768 1.00 0.00 O ATOM 674 CB THR A 42 -4.257 -10.960 3.671 1.00 0.00 C ATOM 675 OG1 THR A 42 -4.999 -9.765 3.823 1.00 0.00 O ATOM 676 CG2 THR A 42 -3.082 -10.895 4.622 1.00 0.00 C ATOM 0 H THR A 42 -3.826 -9.380 1.103 1.00 0.00 H new ATOM 0 HA THR A 42 -3.116 -11.967 2.153 1.00 0.00 H new ATOM 0 HB THR A 42 -4.858 -11.834 3.923 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.255 -9.656 4.763 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.445 -10.753 5.640 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.516 -11.825 4.565 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.437 -10.060 4.347 1.00 0.00 H new ATOM 948 N LYS A 59 -6.444 -15.520 4.020 1.00 0.00 N ATOM 949 CA LYS A 59 -5.105 -16.082 3.874 1.00 0.00 C ATOM 950 C LYS A 59 -4.050 -14.982 3.925 1.00 0.00 C ATOM 951 O LYS A 59 -4.340 -13.851 4.310 1.00 0.00 O ATOM 952 CB LYS A 59 -4.993 -16.855 2.557 1.00 0.00 C ATOM 953 CG LYS A 59 -6.145 -17.817 2.316 1.00 0.00 C ATOM 954 CD LYS A 59 -5.698 -19.035 1.522 1.00 0.00 C ATOM 955 CE LYS A 59 -6.189 -20.327 2.156 1.00 0.00 C ATOM 956 NZ LYS A 59 -5.153 -20.947 3.028 1.00 0.00 N ATOM 0 HA LYS A 59 -4.931 -16.768 4.703 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.945 -16.145 1.732 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.057 -17.414 2.552 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.559 -18.137 3.272 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.943 -17.304 1.779 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.075 -18.963 0.502 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.610 -19.050 1.460 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.085 -20.125 2.744 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.473 -21.030 1.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.527 -21.825 3.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.307 -21.163 2.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.900 -20.286 3.790 1.00 0.00 H new ATOM 970 N LYS A 60 -2.827 -15.319 3.533 1.00 0.00 N ATOM 971 CA LYS A 60 -1.730 -14.357 3.536 1.00 0.00 C ATOM 972 C LYS A 60 -0.874 -14.505 2.282 1.00 0.00 C ATOM 973 O LYS A 60 -0.253 -15.545 2.060 1.00 0.00 O ATOM 974 CB LYS A 60 -0.865 -14.542 4.785 1.00 0.00 C ATOM 975 CG LYS A 60 -0.512 -13.237 5.480 1.00 0.00 C ATOM 976 CD LYS A 60 -1.445 -12.955 6.645 1.00 0.00 C ATOM 977 CE LYS A 60 -1.065 -11.672 7.369 1.00 0.00 C ATOM 978 NZ LYS A 60 -2.257 -10.832 7.673 1.00 0.00 N ATOM 0 H LYS A 60 -2.569 -16.251 3.209 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.158 -13.355 3.545 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.391 -15.188 5.488 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.055 -15.056 4.507 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.516 -13.282 5.839 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.564 -12.417 4.764 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.470 -12.878 6.281 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.417 -13.790 7.345 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.548 -11.918 8.297 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.366 -11.103 6.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.250 -9.987 7.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.123 -11.380 7.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.232 -10.542 8.671 1.00 0.00 H new ATOM 992 N LEU A 61 -0.843 -13.457 1.466 1.00 0.00 N ATOM 993 CA LEU A 61 -0.060 -13.467 0.235 1.00 0.00 C ATOM 994 C LEU A 61 1.351 -12.951 0.489 1.00 0.00 C ATOM 995 O LEU A 61 2.335 -13.630 0.196 1.00 0.00 O ATOM 996 CB LEU A 61 -0.743 -12.617 -0.837 1.00 0.00 C ATOM 997 CG LEU A 61 -2.150 -13.076 -1.228 1.00 0.00 C ATOM 998 CD1 LEU A 61 -2.947 -11.917 -1.806 1.00 0.00 C ATOM 999 CD2 LEU A 61 -2.078 -14.224 -2.221 1.00 0.00 C ATOM 0 H LEU A 61 -1.351 -12.589 1.635 1.00 0.00 H new ATOM 0 HA LEU A 61 0.005 -14.496 -0.118 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.798 -11.588 -0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.117 -12.613 -1.730 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.660 -13.429 -0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.945 -12.261 -2.078 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.027 -11.124 -1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.441 -11.534 -2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.087 -14.538 -2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.550 -13.897 -3.117 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.545 -15.061 -1.771 1.00 0.00 H new ATOM 1011 N PHE A 62 1.444 -11.745 1.041 1.00 0.00 N ATOM 1012 CA PHE A 62 2.735 -11.137 1.340 1.00 0.00 C ATOM 1013 C PHE A 62 2.848 -10.819 2.830 1.00 0.00 C ATOM 1014 O PHE A 62 2.661 -9.676 3.250 1.00 0.00 O ATOM 1015 CB PHE A 62 2.929 -9.862 0.515 1.00 0.00 C ATOM 1016 CG PHE A 62 2.445 -9.979 -0.903 1.00 0.00 C ATOM 1017 CD1 PHE A 62 1.089 -9.945 -1.194 1.00 0.00 C ATOM 1018 CD2 PHE A 62 3.346 -10.119 -1.948 1.00 0.00 C ATOM 1019 CE1 PHE A 62 0.642 -10.049 -2.498 1.00 0.00 C ATOM 1020 CE2 PHE A 62 2.903 -10.223 -3.253 1.00 0.00 C ATOM 1021 CZ PHE A 62 1.549 -10.188 -3.528 1.00 0.00 C ATOM 0 H PHE A 62 0.640 -11.169 1.290 1.00 0.00 H new ATOM 0 HA PHE A 62 3.517 -11.849 1.076 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.403 -9.041 1.002 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.988 -9.602 0.508 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.374 -9.836 -0.392 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.405 -10.147 -1.740 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.417 -10.021 -2.710 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.615 -10.332 -4.058 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.202 -10.269 -4.547 1.00 0.00 H new ATOM 1031 N PRO A 63 3.151 -11.837 3.655 1.00 0.00 N ATOM 1032 CA PRO A 63 3.282 -11.670 5.106 1.00 0.00 C ATOM 1033 C PRO A 63 4.308 -10.608 5.485 1.00 0.00 C ATOM 1034 O PRO A 63 5.337 -10.457 4.826 1.00 0.00 O ATOM 1035 CB PRO A 63 3.744 -13.048 5.587 1.00 0.00 C ATOM 1036 CG PRO A 63 3.300 -13.994 4.527 1.00 0.00 C ATOM 1037 CD PRO A 63 3.382 -13.231 3.236 1.00 0.00 C ATOM 0 HA PRO A 63 2.348 -11.335 5.556 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.826 -13.079 5.716 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.301 -13.299 6.551 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.937 -14.878 4.500 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.283 -14.340 4.713 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.354 -13.352 2.757 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.631 -13.567 2.521 1.00 0.00 H new ATOM 1045 N GLY A 64 4.021 -9.878 6.559 1.00 0.00 N ATOM 1046 CA GLY A 64 4.927 -8.844 7.022 1.00 0.00 C ATOM 1047 C GLY A 64 5.024 -7.666 6.070 1.00 0.00 C ATOM 1048 O GLY A 64 5.973 -6.885 6.139 1.00 0.00 O ATOM 0 H GLY A 64 3.174 -9.985 7.118 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.595 -8.489 7.997 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.919 -9.274 7.160 1.00 0.00 H new ATOM 1052 N TYR A 65 4.045 -7.532 5.181 1.00 0.00 N ATOM 1053 CA TYR A 65 4.042 -6.434 4.220 1.00 0.00 C ATOM 1054 C TYR A 65 2.704 -5.699 4.229 1.00 0.00 C ATOM 1055 O TYR A 65 1.701 -6.216 4.718 1.00 0.00 O ATOM 1056 CB TYR A 65 4.340 -6.955 2.814 1.00 0.00 C ATOM 1057 CG TYR A 65 5.817 -7.041 2.499 1.00 0.00 C ATOM 1058 CD1 TYR A 65 6.598 -5.895 2.414 1.00 0.00 C ATOM 1059 CD2 TYR A 65 6.429 -8.270 2.287 1.00 0.00 C ATOM 1060 CE1 TYR A 65 7.946 -5.970 2.125 1.00 0.00 C ATOM 1061 CE2 TYR A 65 7.778 -8.354 1.999 1.00 0.00 C ATOM 1062 CZ TYR A 65 8.533 -7.202 1.920 1.00 0.00 C ATOM 1063 OH TYR A 65 9.875 -7.283 1.632 1.00 0.00 O ATOM 0 H TYR A 65 3.249 -8.165 5.106 1.00 0.00 H new ATOM 0 HA TYR A 65 4.822 -5.731 4.513 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.895 -7.943 2.700 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.859 -6.303 2.085 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.143 -4.929 2.577 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.841 -9.174 2.348 1.00 0.00 H new ATOM 0 HE1 TYR A 65 8.538 -5.069 2.060 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.239 -9.317 1.837 1.00 0.00 H new ATOM 0 HH TYR A 65 10.395 -7.025 2.422 1.00 0.00 H new ATOM 1073 N LEU A 66 2.701 -4.491 3.675 1.00 0.00 N ATOM 1074 CA LEU A 66 1.493 -3.677 3.609 1.00 0.00 C ATOM 1075 C LEU A 66 1.531 -2.770 2.384 1.00 0.00 C ATOM 1076 O LEU A 66 2.456 -1.974 2.220 1.00 0.00 O ATOM 1077 CB LEU A 66 1.341 -2.835 4.879 1.00 0.00 C ATOM 1078 CG LEU A 66 0.118 -3.168 5.735 1.00 0.00 C ATOM 1079 CD1 LEU A 66 0.108 -2.323 6.999 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -1.161 -2.957 4.940 1.00 0.00 C ATOM 0 H LEU A 66 3.525 -4.053 3.264 1.00 0.00 H new ATOM 0 HA LEU A 66 0.635 -4.344 3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.236 -2.959 5.488 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.292 -1.784 4.596 1.00 0.00 H new ATOM 0 HG LEU A 66 0.173 -4.218 6.024 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.769 -2.573 7.597 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.010 -2.523 7.577 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.075 -1.267 6.731 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.021 -3.199 5.564 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.224 -1.916 4.622 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.156 -3.605 4.063 1.00 0.00 H new ATOM 1092 N PHE A 67 0.527 -2.896 1.526 1.00 0.00 N ATOM 1093 CA PHE A 67 0.453 -2.090 0.312 1.00 0.00 C ATOM 1094 C PHE A 67 -0.294 -0.785 0.561 1.00 0.00 C ATOM 1095 O PHE A 67 -1.391 -0.780 1.119 1.00 0.00 O ATOM 1096 CB PHE A 67 -0.230 -2.879 -0.808 1.00 0.00 C ATOM 1097 CG PHE A 67 0.383 -4.229 -1.058 1.00 0.00 C ATOM 1098 CD1 PHE A 67 1.726 -4.459 -0.805 1.00 0.00 C ATOM 1099 CD2 PHE A 67 -0.389 -5.268 -1.550 1.00 0.00 C ATOM 1100 CE1 PHE A 67 2.288 -5.698 -1.038 1.00 0.00 C ATOM 1101 CE2 PHE A 67 0.165 -6.510 -1.784 1.00 0.00 C ATOM 1102 CZ PHE A 67 1.505 -6.727 -1.529 1.00 0.00 C ATOM 0 H PHE A 67 -0.248 -3.548 1.647 1.00 0.00 H new ATOM 0 HA PHE A 67 1.471 -1.847 0.009 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.283 -3.009 -0.559 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.190 -2.296 -1.728 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.341 -3.659 -0.421 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.437 -5.104 -1.753 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.336 -5.863 -0.837 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.449 -7.312 -2.166 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.940 -7.698 -1.713 1.00 0.00 H new ATOM 1112 N ILE A 68 0.314 0.321 0.144 1.00 0.00 N ATOM 1113 CA ILE A 68 -0.282 1.639 0.318 1.00 0.00 C ATOM 1114 C ILE A 68 -0.256 2.429 -0.988 1.00 0.00 C ATOM 1115 O ILE A 68 0.810 2.823 -1.461 1.00 0.00 O ATOM 1116 CB ILE A 68 0.458 2.446 1.404 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.603 1.618 2.684 1.00 0.00 C ATOM 1118 CG2 ILE A 68 -0.273 3.750 1.689 1.00 0.00 C ATOM 1119 CD1 ILE A 68 2.039 1.445 3.129 1.00 0.00 C ATOM 0 H ILE A 68 1.223 0.329 -0.319 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.316 1.484 0.627 1.00 0.00 H new ATOM 0 HB ILE A 68 1.456 2.685 1.036 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.038 2.097 3.484 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.159 0.635 2.524 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.263 4.307 2.458 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.323 4.346 0.778 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.283 3.533 2.036 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.068 0.849 4.041 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.604 0.939 2.346 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.481 2.423 3.321 1.00 0.00 H new ATOM 1131 N GLN A 69 -1.431 2.662 -1.565 1.00 0.00 N ATOM 1132 CA GLN A 69 -1.529 3.410 -2.814 1.00 0.00 C ATOM 1133 C GLN A 69 -1.431 4.908 -2.553 1.00 0.00 C ATOM 1134 O GLN A 69 -2.406 5.644 -2.724 1.00 0.00 O ATOM 1135 CB GLN A 69 -2.844 3.091 -3.521 1.00 0.00 C ATOM 1136 CG GLN A 69 -3.015 3.827 -4.838 1.00 0.00 C ATOM 1137 CD GLN A 69 -2.870 2.914 -6.040 1.00 0.00 C ATOM 1138 OE1 GLN A 69 -1.791 2.798 -6.621 1.00 0.00 O ATOM 1139 NE2 GLN A 69 -3.962 2.263 -6.421 1.00 0.00 N ATOM 0 H GLN A 69 -2.325 2.345 -1.190 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.699 3.113 -3.455 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.899 2.018 -3.703 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.674 3.345 -2.861 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.997 4.299 -4.861 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.276 4.626 -4.902 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.836 2.389 -5.910 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.928 1.636 -7.225 1.00 0.00 H new ATOM 1148 N MET A 70 -0.248 5.348 -2.141 1.00 0.00 N ATOM 1149 CA MET A 70 -0.004 6.759 -1.858 1.00 0.00 C ATOM 1150 C MET A 70 0.523 7.476 -3.102 1.00 0.00 C ATOM 1151 O MET A 70 0.427 6.957 -4.213 1.00 0.00 O ATOM 1152 CB MET A 70 0.981 6.902 -0.696 1.00 0.00 C ATOM 1153 CG MET A 70 2.370 6.365 -1.004 1.00 0.00 C ATOM 1154 SD MET A 70 3.392 6.196 0.472 1.00 0.00 S ATOM 1155 CE MET A 70 3.024 7.731 1.321 1.00 0.00 C ATOM 0 H MET A 70 0.562 4.745 -1.995 1.00 0.00 H new ATOM 0 HA MET A 70 -0.948 7.224 -1.573 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.060 7.955 -0.425 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.583 6.378 0.173 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.280 5.395 -1.492 1.00 0.00 H new ATOM 0 HG3 MET A 70 2.865 7.032 -1.710 1.00 0.00 H new ATOM 0 HE1 MET A 70 3.784 7.919 2.079 1.00 0.00 H new ATOM 0 HE2 MET A 70 3.017 8.551 0.603 1.00 0.00 H new ATOM 0 HE3 MET A 70 2.046 7.658 1.797 1.00 0.00 H new ATOM 1165 N ASP A 71 1.087 8.666 -2.905 1.00 0.00 N ATOM 1166 CA ASP A 71 1.634 9.444 -4.012 1.00 0.00 C ATOM 1167 C ASP A 71 2.931 10.139 -3.601 1.00 0.00 C ATOM 1168 O ASP A 71 2.969 11.359 -3.441 1.00 0.00 O ATOM 1169 CB ASP A 71 0.617 10.481 -4.490 1.00 0.00 C ATOM 1170 CG ASP A 71 0.153 11.396 -3.373 1.00 0.00 C ATOM 1171 OD1 ASP A 71 0.776 11.376 -2.290 1.00 0.00 O ATOM 1172 OD2 ASP A 71 -0.833 12.135 -3.580 1.00 0.00 O ATOM 0 H ASP A 71 1.177 9.111 -1.991 1.00 0.00 H new ATOM 0 HA ASP A 71 1.852 8.758 -4.830 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.060 11.080 -5.286 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.245 9.969 -4.918 1.00 0.00 H new ATOM 1177 N LEU A 72 3.991 9.354 -3.433 1.00 0.00 N ATOM 1178 CA LEU A 72 5.287 9.897 -3.043 1.00 0.00 C ATOM 1179 C LEU A 72 6.020 10.483 -4.244 1.00 0.00 C ATOM 1180 O LEU A 72 6.752 11.465 -4.120 1.00 0.00 O ATOM 1181 CB LEU A 72 6.145 8.812 -2.389 1.00 0.00 C ATOM 1182 CG LEU A 72 5.592 8.251 -1.079 1.00 0.00 C ATOM 1183 CD1 LEU A 72 6.496 7.152 -0.545 1.00 0.00 C ATOM 1184 CD2 LEU A 72 5.434 9.361 -0.050 1.00 0.00 C ATOM 0 H LEU A 72 3.978 8.342 -3.561 1.00 0.00 H new ATOM 0 HA LEU A 72 5.112 10.696 -2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.266 7.991 -3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.138 9.220 -2.201 1.00 0.00 H new ATOM 0 HG LEU A 72 4.610 7.821 -1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.086 6.765 0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.559 6.346 -1.276 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.492 7.556 -0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.039 8.945 0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.404 9.820 0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.745 10.115 -0.431 1.00 0.00 H new ATOM 1245 N GLU A 77 11.828 15.045 -2.665 1.00 0.00 N ATOM 1246 CA GLU A 77 11.790 14.251 -1.443 1.00 0.00 C ATOM 1247 C GLU A 77 10.349 13.992 -1.007 1.00 0.00 C ATOM 1248 O GLU A 77 9.418 14.626 -1.503 1.00 0.00 O ATOM 1249 CB GLU A 77 12.559 14.962 -0.326 1.00 0.00 C ATOM 1250 CG GLU A 77 13.894 14.314 -0.001 1.00 0.00 C ATOM 1251 CD GLU A 77 14.195 14.318 1.485 1.00 0.00 C ATOM 1252 OE1 GLU A 77 13.238 14.299 2.287 1.00 0.00 O ATOM 1253 OE2 GLU A 77 15.392 14.339 1.848 1.00 0.00 O ATOM 0 HA GLU A 77 12.265 13.291 -1.645 1.00 0.00 H new ATOM 0 HB2 GLU A 77 12.729 15.999 -0.616 1.00 0.00 H new ATOM 0 HB3 GLU A 77 11.944 14.979 0.574 1.00 0.00 H new ATOM 0 HG2 GLU A 77 13.894 13.287 -0.366 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.688 14.840 -0.531 1.00 0.00 H new ATOM 1260 N PRO A 78 10.147 13.053 -0.067 1.00 0.00 N ATOM 1261 CA PRO A 78 8.812 12.715 0.436 1.00 0.00 C ATOM 1262 C PRO A 78 8.187 13.855 1.231 1.00 0.00 C ATOM 1263 O PRO A 78 8.893 14.660 1.841 1.00 0.00 O ATOM 1264 CB PRO A 78 9.064 11.506 1.342 1.00 0.00 C ATOM 1265 CG PRO A 78 10.493 11.624 1.748 1.00 0.00 C ATOM 1266 CD PRO A 78 11.202 12.250 0.581 1.00 0.00 C ATOM 0 HA PRO A 78 8.112 12.516 -0.375 1.00 0.00 H new ATOM 0 HB2 PRO A 78 8.404 11.518 2.210 1.00 0.00 H new ATOM 0 HB3 PRO A 78 8.879 10.571 0.814 1.00 0.00 H new ATOM 0 HG2 PRO A 78 10.595 12.238 2.643 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.914 10.647 1.983 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.038 12.870 0.904 1.00 0.00 H new ATOM 0 HD3 PRO A 78 11.606 11.497 -0.095 1.00 0.00 H new ATOM 1274 N ASN A 79 6.860 13.922 1.219 1.00 0.00 N ATOM 1275 CA ASN A 79 6.141 14.967 1.937 1.00 0.00 C ATOM 1276 C ASN A 79 5.988 14.608 3.413 1.00 0.00 C ATOM 1277 O ASN A 79 6.625 13.677 3.905 1.00 0.00 O ATOM 1278 CB ASN A 79 4.765 15.194 1.306 1.00 0.00 C ATOM 1279 CG ASN A 79 4.528 16.647 0.943 1.00 0.00 C ATOM 1280 OD1 ASN A 79 5.100 17.160 -0.017 1.00 0.00 O ATOM 1281 ND2 ASN A 79 3.678 17.318 1.712 1.00 0.00 N ATOM 0 H ASN A 79 6.261 13.265 0.720 1.00 0.00 H new ATOM 0 HA ASN A 79 6.720 15.888 1.866 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.673 14.579 0.411 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.991 14.865 2.000 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.478 18.299 1.516 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.225 16.853 2.499 1.00 0.00 H new ATOM 1288 N GLU A 80 5.138 15.353 4.113 1.00 0.00 N ATOM 1289 CA GLU A 80 4.901 15.115 5.533 1.00 0.00 C ATOM 1290 C GLU A 80 4.222 13.767 5.753 1.00 0.00 C ATOM 1291 O GLU A 80 4.374 13.148 6.807 1.00 0.00 O ATOM 1292 CB GLU A 80 4.038 16.233 6.127 1.00 0.00 C ATOM 1293 CG GLU A 80 4.366 17.613 5.583 1.00 0.00 C ATOM 1294 CD GLU A 80 4.108 18.715 6.592 1.00 0.00 C ATOM 1295 OE1 GLU A 80 3.257 18.516 7.484 1.00 0.00 O ATOM 1296 OE2 GLU A 80 4.758 19.777 6.490 1.00 0.00 O ATOM 0 H GLU A 80 4.602 16.127 3.720 1.00 0.00 H new ATOM 0 HA GLU A 80 5.867 15.105 6.037 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.989 16.014 5.929 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.163 16.240 7.210 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.413 17.641 5.280 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.771 17.798 4.689 1.00 0.00 H new ATOM 1303 N ALA A 81 3.472 13.317 4.750 1.00 0.00 N ATOM 1304 CA ALA A 81 2.766 12.042 4.831 1.00 0.00 C ATOM 1305 C ALA A 81 3.708 10.911 5.230 1.00 0.00 C ATOM 1306 O ALA A 81 3.343 10.032 6.012 1.00 0.00 O ATOM 1307 CB ALA A 81 2.096 11.732 3.503 1.00 0.00 C ATOM 0 H ALA A 81 3.338 13.817 3.871 1.00 0.00 H new ATOM 0 HA ALA A 81 2.002 12.125 5.604 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.572 10.779 3.574 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.383 12.521 3.262 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.851 11.674 2.719 1.00 0.00 H new ATOM 1313 N TRP A 82 4.921 10.937 4.687 1.00 0.00 N ATOM 1314 CA TRP A 82 5.914 9.911 4.990 1.00 0.00 C ATOM 1315 C TRP A 82 6.492 10.110 6.386 1.00 0.00 C ATOM 1316 O TRP A 82 6.830 9.145 7.072 1.00 0.00 O ATOM 1317 CB TRP A 82 7.036 9.932 3.951 1.00 0.00 C ATOM 1318 CG TRP A 82 7.860 8.680 3.945 1.00 0.00 C ATOM 1319 CD1 TRP A 82 9.222 8.595 4.003 1.00 0.00 C ATOM 1320 CD2 TRP A 82 7.376 7.335 3.874 1.00 0.00 C ATOM 1321 NE1 TRP A 82 9.614 7.279 3.975 1.00 0.00 N ATOM 1322 CE2 TRP A 82 8.498 6.486 3.897 1.00 0.00 C ATOM 1323 CE3 TRP A 82 6.101 6.764 3.798 1.00 0.00 C ATOM 1324 CZ2 TRP A 82 8.385 5.100 3.844 1.00 0.00 C ATOM 1325 CZ3 TRP A 82 5.990 5.389 3.744 1.00 0.00 C ATOM 1326 CH2 TRP A 82 7.125 4.570 3.769 1.00 0.00 C ATOM 0 H TRP A 82 5.240 11.655 4.037 1.00 0.00 H new ATOM 0 HA TRP A 82 5.419 8.941 4.957 1.00 0.00 H new ATOM 0 HB2 TRP A 82 6.603 10.079 2.961 1.00 0.00 H new ATOM 0 HB3 TRP A 82 7.686 10.786 4.145 1.00 0.00 H new ATOM 0 HD1 TRP A 82 9.893 9.439 4.062 1.00 0.00 H new ATOM 0 HE1 TRP A 82 10.578 6.946 4.007 1.00 0.00 H new ATOM 0 HE3 TRP A 82 5.219 7.388 3.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 9.259 4.466 3.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 5.011 4.938 3.681 1.00 0.00 H new ATOM 0 HH2 TRP A 82 7.004 3.498 3.728 1.00 0.00 H new ATOM 1337 N GLU A 83 6.603 11.366 6.802 1.00 0.00 N ATOM 1338 CA GLU A 83 7.139 11.689 8.120 1.00 0.00 C ATOM 1339 C GLU A 83 6.261 11.101 9.218 1.00 0.00 C ATOM 1340 O GLU A 83 6.747 10.738 10.291 1.00 0.00 O ATOM 1341 CB GLU A 83 7.251 13.206 8.292 1.00 0.00 C ATOM 1342 CG GLU A 83 8.546 13.649 8.951 1.00 0.00 C ATOM 1343 CD GLU A 83 8.477 13.603 10.465 1.00 0.00 C ATOM 1344 OE1 GLU A 83 8.676 12.509 11.035 1.00 0.00 O ATOM 1345 OE2 GLU A 83 8.223 14.659 11.081 1.00 0.00 O ATOM 0 H GLU A 83 6.330 12.177 6.247 1.00 0.00 H new ATOM 0 HA GLU A 83 8.134 11.250 8.201 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.169 13.681 7.314 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.410 13.559 8.889 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.360 13.010 8.609 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.782 14.664 8.633 1.00 0.00 H new ATOM 1352 N VAL A 84 4.963 11.007 8.944 1.00 0.00 N ATOM 1353 CA VAL A 84 4.015 10.460 9.906 1.00 0.00 C ATOM 1354 C VAL A 84 3.962 8.939 9.816 1.00 0.00 C ATOM 1355 O VAL A 84 3.966 8.247 10.833 1.00 0.00 O ATOM 1356 CB VAL A 84 2.601 11.026 9.682 1.00 0.00 C ATOM 1357 CG1 VAL A 84 1.668 10.592 10.803 1.00 0.00 C ATOM 1358 CG2 VAL A 84 2.641 12.545 9.570 1.00 0.00 C ATOM 0 H VAL A 84 4.545 11.303 8.062 1.00 0.00 H new ATOM 0 HA VAL A 84 4.362 10.752 10.897 1.00 0.00 H new ATOM 0 HB VAL A 84 2.216 10.627 8.744 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.673 11.002 10.628 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.613 9.504 10.830 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.049 10.959 11.756 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.632 12.925 9.412 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.048 12.967 10.489 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.272 12.831 8.729 1.00 0.00 H new ATOM 1368 N VAL A 85 3.916 8.426 8.591 1.00 0.00 N ATOM 1369 CA VAL A 85 3.868 6.987 8.367 1.00 0.00 C ATOM 1370 C VAL A 85 5.146 6.315 8.858 1.00 0.00 C ATOM 1371 O VAL A 85 5.104 5.264 9.494 1.00 0.00 O ATOM 1372 CB VAL A 85 3.664 6.656 6.876 1.00 0.00 C ATOM 1373 CG1 VAL A 85 3.462 5.161 6.681 1.00 0.00 C ATOM 1374 CG2 VAL A 85 2.488 7.438 6.309 1.00 0.00 C ATOM 0 H VAL A 85 3.911 8.986 7.738 1.00 0.00 H new ATOM 0 HA VAL A 85 3.018 6.605 8.933 1.00 0.00 H new ATOM 0 HB VAL A 85 4.562 6.951 6.334 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.320 4.948 5.621 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.339 4.625 7.044 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.582 4.837 7.237 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.361 7.190 5.255 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.581 7.178 6.855 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.679 8.506 6.410 1.00 0.00 H new ATOM 1384 N ARG A 86 6.282 6.933 8.557 1.00 0.00 N ATOM 1385 CA ARG A 86 7.575 6.397 8.968 1.00 0.00 C ATOM 1386 C ARG A 86 7.742 6.462 10.485 1.00 0.00 C ATOM 1387 O ARG A 86 8.646 5.840 11.042 1.00 0.00 O ATOM 1388 CB ARG A 86 8.708 7.168 8.286 1.00 0.00 C ATOM 1389 CG ARG A 86 9.970 6.346 8.087 1.00 0.00 C ATOM 1390 CD ARG A 86 11.221 7.203 8.211 1.00 0.00 C ATOM 1391 NE ARG A 86 11.945 6.939 9.453 1.00 0.00 N ATOM 1392 CZ ARG A 86 13.201 7.322 9.674 1.00 0.00 C ATOM 1393 NH1 ARG A 86 13.874 7.983 8.741 1.00 0.00 N ATOM 1394 NH2 ARG A 86 13.785 7.043 10.831 1.00 0.00 N ATOM 0 H ARG A 86 6.335 7.805 8.030 1.00 0.00 H new ATOM 0 HA ARG A 86 7.617 5.351 8.664 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.361 7.525 7.317 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.948 8.048 8.883 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.003 5.544 8.825 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.947 5.875 7.104 1.00 0.00 H new ATOM 0 HD2 ARG A 86 11.877 7.012 7.362 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.944 8.256 8.170 1.00 0.00 H new ATOM 0 HE ARG A 86 11.460 6.432 10.193 1.00 0.00 H new ATOM 0 HH11 ARG A 86 13.429 8.200 7.849 1.00 0.00 H new ATOM 0 HH12 ARG A 86 14.836 8.274 8.916 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.272 6.535 11.552 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.747 7.336 11.000 1.00 0.00 H new ATOM 1408 N GLY A 87 6.870 7.216 11.150 1.00 0.00 N ATOM 1409 CA GLY A 87 6.950 7.342 12.594 1.00 0.00 C ATOM 1410 C GLY A 87 5.760 6.733 13.310 1.00 0.00 C ATOM 1411 O GLY A 87 5.791 6.551 14.527 1.00 0.00 O ATOM 0 H GLY A 87 6.111 7.741 10.715 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.863 6.861 12.945 1.00 0.00 H new ATOM 0 HA3 GLY A 87 7.024 8.397 12.857 1.00 0.00 H new ATOM 1415 N THR A 88 4.705 6.414 12.562 1.00 0.00 N ATOM 1416 CA THR A 88 3.507 5.823 13.149 1.00 0.00 C ATOM 1417 C THR A 88 3.838 4.510 13.857 1.00 0.00 C ATOM 1418 O THR A 88 4.868 3.891 13.585 1.00 0.00 O ATOM 1419 CB THR A 88 2.444 5.582 12.075 1.00 0.00 C ATOM 1420 OG1 THR A 88 3.044 5.383 10.809 1.00 0.00 O ATOM 1421 CG2 THR A 88 1.460 6.725 11.942 1.00 0.00 C ATOM 0 H THR A 88 4.657 6.555 11.553 1.00 0.00 H new ATOM 0 HA THR A 88 3.113 6.525 13.884 1.00 0.00 H new ATOM 0 HB THR A 88 1.904 4.692 12.398 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.968 5.080 10.929 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.733 6.491 11.164 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.942 6.872 12.890 1.00 0.00 H new ATOM 0 HG23 THR A 88 1.995 7.637 11.676 1.00 0.00 H new ATOM 1429 N PRO A 89 2.965 4.067 14.779 1.00 0.00 N ATOM 1430 CA PRO A 89 3.170 2.822 15.525 1.00 0.00 C ATOM 1431 C PRO A 89 3.014 1.586 14.646 1.00 0.00 C ATOM 1432 O PRO A 89 1.973 1.383 14.023 1.00 0.00 O ATOM 1433 CB PRO A 89 2.073 2.862 16.591 1.00 0.00 C ATOM 1434 CG PRO A 89 1.004 3.716 16.003 1.00 0.00 C ATOM 1435 CD PRO A 89 1.711 4.743 15.162 1.00 0.00 C ATOM 0 HA PRO A 89 4.178 2.754 15.934 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.702 1.862 16.815 1.00 0.00 H new ATOM 0 HB3 PRO A 89 2.445 3.281 17.526 1.00 0.00 H new ATOM 0 HG2 PRO A 89 0.318 3.122 15.399 1.00 0.00 H new ATOM 0 HG3 PRO A 89 0.411 4.192 16.784 1.00 0.00 H new ATOM 0 HD2 PRO A 89 1.122 5.022 14.288 1.00 0.00 H new ATOM 0 HD3 PRO A 89 1.903 5.658 15.722 1.00 0.00 H new ATOM 1443 N GLY A 90 4.057 0.764 14.601 1.00 0.00 N ATOM 1444 CA GLY A 90 4.017 -0.442 13.795 1.00 0.00 C ATOM 1445 C GLY A 90 5.008 -0.409 12.649 1.00 0.00 C ATOM 1446 O GLY A 90 5.463 -1.454 12.185 1.00 0.00 O ATOM 0 H GLY A 90 4.929 0.911 15.108 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.227 -1.305 14.427 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.011 -0.576 13.397 1.00 0.00 H new ATOM 1450 N ILE A 91 5.345 0.791 12.192 1.00 0.00 N ATOM 1451 CA ILE A 91 6.288 0.954 11.092 1.00 0.00 C ATOM 1452 C ILE A 91 7.728 0.943 11.598 1.00 0.00 C ATOM 1453 O ILE A 91 8.190 1.906 12.207 1.00 0.00 O ATOM 1454 CB ILE A 91 6.025 2.258 10.312 1.00 0.00 C ATOM 1455 CG1 ILE A 91 4.637 2.215 9.672 1.00 0.00 C ATOM 1456 CG2 ILE A 91 7.092 2.477 9.248 1.00 0.00 C ATOM 1457 CD1 ILE A 91 4.472 1.091 8.674 1.00 0.00 C ATOM 0 H ILE A 91 4.979 1.666 12.566 1.00 0.00 H new ATOM 0 HA ILE A 91 6.142 0.110 10.418 1.00 0.00 H new ATOM 0 HB ILE A 91 6.067 3.093 11.011 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.887 2.109 10.455 1.00 0.00 H new ATOM 0 HG13 ILE A 91 4.445 3.165 9.173 1.00 0.00 H new ATOM 0 HG21 ILE A 91 6.886 3.403 8.711 1.00 0.00 H new ATOM 0 HG22 ILE A 91 8.071 2.543 9.723 1.00 0.00 H new ATOM 0 HG23 ILE A 91 7.084 1.642 8.548 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.465 1.119 8.258 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.200 1.208 7.871 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.632 0.135 9.173 1.00 0.00 H new ATOM 1567 N ARG A 100 14.470 3.522 0.278 1.00 0.00 N ATOM 1568 CA ARG A 100 14.404 2.109 0.638 1.00 0.00 C ATOM 1569 C ARG A 100 13.053 1.497 0.255 1.00 0.00 C ATOM 1570 O ARG A 100 13.003 0.393 -0.289 1.00 0.00 O ATOM 1571 CB ARG A 100 14.655 1.927 2.136 1.00 0.00 C ATOM 1572 CG ARG A 100 16.041 2.368 2.578 1.00 0.00 C ATOM 1573 CD ARG A 100 16.717 1.317 3.446 1.00 0.00 C ATOM 1574 NE ARG A 100 17.121 0.143 2.673 1.00 0.00 N ATOM 1575 CZ ARG A 100 16.430 -0.997 2.625 1.00 0.00 C ATOM 1576 NH1 ARG A 100 15.291 -1.129 3.296 1.00 0.00 N ATOM 1577 NH2 ARG A 100 16.879 -2.010 1.898 1.00 0.00 N ATOM 0 HA ARG A 100 15.182 1.589 0.080 1.00 0.00 H new ATOM 0 HB2 ARG A 100 13.908 2.493 2.693 1.00 0.00 H new ATOM 0 HB3 ARG A 100 14.517 0.877 2.394 1.00 0.00 H new ATOM 0 HG2 ARG A 100 16.657 2.566 1.701 1.00 0.00 H new ATOM 0 HG3 ARG A 100 15.966 3.304 3.132 1.00 0.00 H new ATOM 0 HD2 ARG A 100 17.593 1.753 3.927 1.00 0.00 H new ATOM 0 HD3 ARG A 100 16.036 1.011 4.240 1.00 0.00 H new ATOM 0 HE ARG A 100 17.987 0.200 2.136 1.00 0.00 H new ATOM 0 HH11 ARG A 100 14.936 -0.354 3.856 1.00 0.00 H new ATOM 0 HH12 ARG A 100 14.772 -2.006 3.251 1.00 0.00 H new ATOM 0 HH21 ARG A 100 17.751 -1.917 1.377 1.00 0.00 H new ATOM 0 HH22 ARG A 100 16.353 -2.883 1.860 1.00 0.00 H new ATOM 1591 N PRO A 101 11.938 2.201 0.530 1.00 0.00 N ATOM 1592 CA PRO A 101 10.596 1.705 0.204 1.00 0.00 C ATOM 1593 C PRO A 101 10.503 1.178 -1.224 1.00 0.00 C ATOM 1594 O PRO A 101 10.870 1.867 -2.176 1.00 0.00 O ATOM 1595 CB PRO A 101 9.713 2.940 0.379 1.00 0.00 C ATOM 1596 CG PRO A 101 10.420 3.762 1.398 1.00 0.00 C ATOM 1597 CD PRO A 101 11.890 3.528 1.175 1.00 0.00 C ATOM 0 HA PRO A 101 10.306 0.864 0.834 1.00 0.00 H new ATOM 0 HB2 PRO A 101 9.599 3.483 -0.559 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.712 2.668 0.713 1.00 0.00 H new ATOM 0 HG2 PRO A 101 10.172 4.818 1.288 1.00 0.00 H new ATOM 0 HG3 PRO A 101 10.127 3.470 2.406 1.00 0.00 H new ATOM 0 HD2 PRO A 101 12.326 4.298 0.539 1.00 0.00 H new ATOM 0 HD3 PRO A 101 12.444 3.538 2.114 1.00 0.00 H new ATOM 1605 N VAL A 102 10.014 -0.049 -1.365 1.00 0.00 N ATOM 1606 CA VAL A 102 9.878 -0.671 -2.676 1.00 0.00 C ATOM 1607 C VAL A 102 8.449 -0.540 -3.207 1.00 0.00 C ATOM 1608 O VAL A 102 7.542 -1.236 -2.751 1.00 0.00 O ATOM 1609 CB VAL A 102 10.269 -2.163 -2.633 1.00 0.00 C ATOM 1610 CG1 VAL A 102 9.371 -2.930 -1.672 1.00 0.00 C ATOM 1611 CG2 VAL A 102 10.218 -2.772 -4.027 1.00 0.00 C ATOM 0 H VAL A 102 9.705 -0.632 -0.587 1.00 0.00 H new ATOM 0 HA VAL A 102 10.557 -0.145 -3.347 1.00 0.00 H new ATOM 0 HB VAL A 102 11.293 -2.237 -2.268 1.00 0.00 H new ATOM 0 HG11 VAL A 102 9.665 -3.979 -1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 102 9.470 -2.512 -0.670 1.00 0.00 H new ATOM 0 HG13 VAL A 102 8.334 -2.848 -1.999 1.00 0.00 H new ATOM 0 HG21 VAL A 102 10.497 -3.824 -3.975 1.00 0.00 H new ATOM 0 HG22 VAL A 102 9.207 -2.684 -4.426 1.00 0.00 H new ATOM 0 HG23 VAL A 102 10.913 -2.244 -4.680 1.00 0.00 H new ATOM 1621 N PRO A 103 8.229 0.357 -4.186 1.00 0.00 N ATOM 1622 CA PRO A 103 6.904 0.565 -4.775 1.00 0.00 C ATOM 1623 C PRO A 103 6.522 -0.558 -5.732 1.00 0.00 C ATOM 1624 O PRO A 103 7.252 -0.856 -6.678 1.00 0.00 O ATOM 1625 CB PRO A 103 7.058 1.885 -5.527 1.00 0.00 C ATOM 1626 CG PRO A 103 8.500 1.946 -5.894 1.00 0.00 C ATOM 1627 CD PRO A 103 9.248 1.234 -4.795 1.00 0.00 C ATOM 0 HA PRO A 103 6.115 0.580 -4.024 1.00 0.00 H new ATOM 0 HB2 PRO A 103 6.423 1.913 -6.412 1.00 0.00 H new ATOM 0 HB3 PRO A 103 6.772 2.732 -4.903 1.00 0.00 H new ATOM 0 HG2 PRO A 103 8.676 1.467 -6.857 1.00 0.00 H new ATOM 0 HG3 PRO A 103 8.834 2.979 -5.985 1.00 0.00 H new ATOM 0 HD2 PRO A 103 10.086 0.659 -5.189 1.00 0.00 H new ATOM 0 HD3 PRO A 103 9.656 1.937 -4.069 1.00 0.00 H new ATOM 1635 N LEU A 104 5.377 -1.182 -5.478 1.00 0.00 N ATOM 1636 CA LEU A 104 4.901 -2.279 -6.315 1.00 0.00 C ATOM 1637 C LEU A 104 4.712 -1.825 -7.760 1.00 0.00 C ATOM 1638 O LEU A 104 4.139 -0.767 -8.020 1.00 0.00 O ATOM 1639 CB LEU A 104 3.587 -2.834 -5.764 1.00 0.00 C ATOM 1640 CG LEU A 104 3.703 -3.560 -4.423 1.00 0.00 C ATOM 1641 CD1 LEU A 104 2.329 -3.749 -3.797 1.00 0.00 C ATOM 1642 CD2 LEU A 104 4.398 -4.901 -4.605 1.00 0.00 C ATOM 0 H LEU A 104 4.761 -0.948 -4.700 1.00 0.00 H new ATOM 0 HA LEU A 104 5.655 -3.066 -6.300 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.880 -2.011 -5.655 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.165 -3.522 -6.497 1.00 0.00 H new ATOM 0 HG LEU A 104 4.304 -2.949 -3.750 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.432 -4.267 -2.844 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.867 -2.776 -3.633 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.703 -4.340 -4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.473 -5.406 -3.642 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.822 -5.519 -5.294 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.397 -4.741 -5.010 1.00 0.00 H new ATOM 1654 N SER A 105 5.197 -2.635 -8.695 1.00 0.00 N ATOM 1655 CA SER A 105 5.083 -2.322 -10.116 1.00 0.00 C ATOM 1656 C SER A 105 3.667 -2.595 -10.620 1.00 0.00 C ATOM 1657 O SER A 105 2.975 -3.468 -10.103 1.00 0.00 O ATOM 1658 CB SER A 105 6.091 -3.142 -10.924 1.00 0.00 C ATOM 1659 OG SER A 105 6.101 -4.496 -10.506 1.00 0.00 O ATOM 0 H SER A 105 5.673 -3.514 -8.495 1.00 0.00 H new ATOM 0 HA SER A 105 5.300 -1.262 -10.248 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.842 -3.087 -11.984 1.00 0.00 H new ATOM 0 HB3 SER A 105 7.087 -2.715 -10.808 1.00 0.00 H new ATOM 0 HG SER A 105 6.752 -4.998 -11.039 1.00 0.00 H new ATOM 1665 N PRO A 106 3.222 -1.849 -11.646 1.00 0.00 N ATOM 1666 CA PRO A 106 1.882 -2.013 -12.221 1.00 0.00 C ATOM 1667 C PRO A 106 1.613 -3.448 -12.659 1.00 0.00 C ATOM 1668 O PRO A 106 0.477 -3.921 -12.608 1.00 0.00 O ATOM 1669 CB PRO A 106 1.882 -1.071 -13.435 1.00 0.00 C ATOM 1670 CG PRO A 106 3.314 -0.724 -13.670 1.00 0.00 C ATOM 1671 CD PRO A 106 3.980 -0.790 -12.328 1.00 0.00 C ATOM 0 HA PRO A 106 1.102 -1.784 -11.495 1.00 0.00 H new ATOM 0 HB2 PRO A 106 1.447 -1.557 -14.309 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.289 -0.178 -13.239 1.00 0.00 H new ATOM 0 HG2 PRO A 106 3.775 -1.422 -14.369 1.00 0.00 H new ATOM 0 HG3 PRO A 106 3.408 0.271 -14.104 1.00 0.00 H new ATOM 0 HD2 PRO A 106 5.038 -1.039 -12.412 1.00 0.00 H new ATOM 0 HD3 PRO A 106 3.917 0.160 -11.797 1.00 0.00 H new ATOM 1679 N ASP A 107 2.664 -4.138 -13.087 1.00 0.00 N ATOM 1680 CA ASP A 107 2.540 -5.521 -13.534 1.00 0.00 C ATOM 1681 C ASP A 107 2.264 -6.453 -12.359 1.00 0.00 C ATOM 1682 O ASP A 107 1.635 -7.498 -12.520 1.00 0.00 O ATOM 1683 CB ASP A 107 3.816 -5.958 -14.257 1.00 0.00 C ATOM 1684 CG ASP A 107 5.052 -5.798 -13.396 1.00 0.00 C ATOM 1685 OD1 ASP A 107 5.171 -6.525 -12.388 1.00 0.00 O ATOM 1686 OD2 ASP A 107 5.901 -4.944 -13.729 1.00 0.00 O ATOM 0 H ASP A 107 3.611 -3.763 -13.134 1.00 0.00 H new ATOM 0 HA ASP A 107 1.698 -5.580 -14.224 1.00 0.00 H new ATOM 0 HB2 ASP A 107 3.720 -7.001 -14.559 1.00 0.00 H new ATOM 0 HB3 ASP A 107 3.933 -5.371 -15.168 1.00 0.00 H new ATOM 1691 N GLU A 108 2.737 -6.068 -11.178 1.00 0.00 N ATOM 1692 CA GLU A 108 2.541 -6.872 -9.976 1.00 0.00 C ATOM 1693 C GLU A 108 1.327 -6.390 -9.187 1.00 0.00 C ATOM 1694 O GLU A 108 0.591 -7.193 -8.611 1.00 0.00 O ATOM 1695 CB GLU A 108 3.793 -6.826 -9.098 1.00 0.00 C ATOM 1696 CG GLU A 108 4.459 -8.180 -8.915 1.00 0.00 C ATOM 1697 CD GLU A 108 4.129 -8.816 -7.581 1.00 0.00 C ATOM 1698 OE1 GLU A 108 4.384 -8.176 -6.538 1.00 0.00 O ATOM 1699 OE2 GLU A 108 3.615 -9.954 -7.575 1.00 0.00 O ATOM 0 H GLU A 108 3.259 -5.205 -11.027 1.00 0.00 H new ATOM 0 HA GLU A 108 2.361 -7.902 -10.283 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.511 -6.134 -9.539 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.526 -6.427 -8.120 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.145 -8.846 -9.718 1.00 0.00 H new ATOM 0 HG3 GLU A 108 5.539 -8.064 -9.001 1.00 0.00 H new ATOM 1706 N VAL A 109 1.124 -5.078 -9.162 1.00 0.00 N ATOM 1707 CA VAL A 109 -0.001 -4.493 -8.442 1.00 0.00 C ATOM 1708 C VAL A 109 -1.329 -5.035 -8.961 1.00 0.00 C ATOM 1709 O VAL A 109 -2.306 -5.128 -8.218 1.00 0.00 O ATOM 1710 CB VAL A 109 -0.008 -2.956 -8.557 1.00 0.00 C ATOM 1711 CG1 VAL A 109 -1.084 -2.358 -7.663 1.00 0.00 C ATOM 1712 CG2 VAL A 109 1.359 -2.386 -8.210 1.00 0.00 C ATOM 0 H VAL A 109 1.723 -4.399 -9.632 1.00 0.00 H new ATOM 0 HA VAL A 109 0.118 -4.770 -7.395 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.235 -2.690 -9.589 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.074 -1.272 -7.758 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.060 -2.739 -7.964 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -0.890 -2.634 -6.626 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.333 -1.300 -8.297 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.620 -2.662 -7.188 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.105 -2.787 -8.896 1.00 0.00 H new ATOM 1722 N ARG A 110 -1.359 -5.393 -10.240 1.00 0.00 N ATOM 1723 CA ARG A 110 -2.570 -5.924 -10.851 1.00 0.00 C ATOM 1724 C ARG A 110 -3.016 -7.201 -10.149 1.00 0.00 C ATOM 1725 O ARG A 110 -4.211 -7.423 -9.943 1.00 0.00 O ATOM 1726 CB ARG A 110 -2.342 -6.194 -12.339 1.00 0.00 C ATOM 1727 CG ARG A 110 -3.618 -6.182 -13.164 1.00 0.00 C ATOM 1728 CD ARG A 110 -3.336 -6.454 -14.632 1.00 0.00 C ATOM 1729 NE ARG A 110 -4.461 -7.114 -15.290 1.00 0.00 N ATOM 1730 CZ ARG A 110 -4.735 -8.411 -15.168 1.00 0.00 C ATOM 1731 NH1 ARG A 110 -3.970 -9.190 -14.412 1.00 0.00 N ATOM 1732 NH2 ARG A 110 -5.777 -8.931 -15.800 1.00 0.00 N ATOM 0 H ARG A 110 -0.561 -5.325 -10.871 1.00 0.00 H new ATOM 0 HA ARG A 110 -3.358 -5.179 -10.745 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -1.657 -5.444 -12.735 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.855 -7.162 -12.453 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -4.308 -6.934 -12.780 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.110 -5.215 -13.060 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -3.119 -5.514 -15.140 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.447 -7.078 -14.721 1.00 0.00 H new ATOM 0 HE ARG A 110 -5.073 -6.548 -15.878 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -3.168 -8.795 -13.921 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -4.185 -10.183 -14.322 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -6.370 -8.337 -16.380 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -5.986 -9.925 -15.706 1.00 0.00 H new ATOM 1746 N HIS A 111 -2.054 -8.038 -9.777 1.00 0.00 N ATOM 1747 CA HIS A 111 -2.358 -9.287 -9.093 1.00 0.00 C ATOM 1748 C HIS A 111 -2.907 -9.012 -7.700 1.00 0.00 C ATOM 1749 O HIS A 111 -4.002 -9.457 -7.357 1.00 0.00 O ATOM 1750 CB HIS A 111 -1.108 -10.165 -9.001 1.00 0.00 C ATOM 1751 CG HIS A 111 -0.807 -10.914 -10.262 1.00 0.00 C ATOM 1752 ND1 HIS A 111 -1.255 -10.511 -11.503 1.00 0.00 N ATOM 1753 CD2 HIS A 111 -0.098 -12.049 -10.471 1.00 0.00 C ATOM 1754 CE1 HIS A 111 -0.837 -11.364 -12.420 1.00 0.00 C ATOM 1755 NE2 HIS A 111 -0.131 -12.307 -11.819 1.00 0.00 N ATOM 0 H HIS A 111 -1.060 -7.874 -9.937 1.00 0.00 H new ATOM 0 HA HIS A 111 -3.116 -9.817 -9.669 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -0.253 -9.539 -8.747 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -1.234 -10.878 -8.186 1.00 0.00 H new ATOM 0 HD2 HIS A 111 0.400 -12.641 -9.718 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -1.037 -11.302 -13.479 1.00 0.00 H new ATOM 0 HE2 HIS A 111 0.317 -13.098 -12.282 1.00 0.00 H new ATOM 1764 N ILE A 112 -2.148 -8.269 -6.903 1.00 0.00 N ATOM 1765 CA ILE A 112 -2.575 -7.930 -5.554 1.00 0.00 C ATOM 1766 C ILE A 112 -3.839 -7.074 -5.588 1.00 0.00 C ATOM 1767 O ILE A 112 -4.591 -7.020 -4.614 1.00 0.00 O ATOM 1768 CB ILE A 112 -1.467 -7.192 -4.774 1.00 0.00 C ATOM 1769 CG1 ILE A 112 -1.169 -5.831 -5.407 1.00 0.00 C ATOM 1770 CG2 ILE A 112 -0.205 -8.040 -4.725 1.00 0.00 C ATOM 1771 CD1 ILE A 112 -2.108 -4.735 -4.951 1.00 0.00 C ATOM 0 H ILE A 112 -1.238 -7.892 -7.167 1.00 0.00 H new ATOM 0 HA ILE A 112 -2.789 -8.866 -5.038 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.818 -7.024 -3.756 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.145 -5.544 -5.168 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -1.229 -5.922 -6.491 1.00 0.00 H new ATOM 0 HG21 ILE A 112 0.569 -7.508 -4.172 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -0.421 -8.986 -4.228 1.00 0.00 H new ATOM 0 HG23 ILE A 112 0.142 -8.234 -5.740 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -1.839 -3.798 -5.439 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -3.132 -5.000 -5.215 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -2.031 -4.616 -3.870 1.00 0.00 H new ATOM 1783 N LEU A 113 -4.073 -6.412 -6.722 1.00 0.00 N ATOM 1784 CA LEU A 113 -5.251 -5.570 -6.888 1.00 0.00 C ATOM 1785 C LEU A 113 -6.510 -6.426 -6.978 1.00 0.00 C ATOM 1786 O LEU A 113 -7.553 -6.074 -6.429 1.00 0.00 O ATOM 1787 CB LEU A 113 -5.115 -4.710 -8.147 1.00 0.00 C ATOM 1788 CG LEU A 113 -4.581 -3.296 -7.913 1.00 0.00 C ATOM 1789 CD1 LEU A 113 -3.857 -2.786 -9.151 1.00 0.00 C ATOM 1790 CD2 LEU A 113 -5.713 -2.356 -7.534 1.00 0.00 C ATOM 0 H LEU A 113 -3.461 -6.445 -7.537 1.00 0.00 H new ATOM 0 HA LEU A 113 -5.332 -4.917 -6.019 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -4.453 -5.220 -8.847 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.091 -4.638 -8.626 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.869 -3.330 -7.088 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.484 -1.779 -8.965 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -3.020 -3.446 -9.381 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.547 -2.768 -9.994 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.315 -1.354 -7.371 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.448 -2.328 -8.339 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -6.189 -2.710 -6.620 1.00 0.00 H new ATOM 1802 N GLU A 114 -6.403 -7.554 -7.676 1.00 0.00 N ATOM 1803 CA GLU A 114 -7.535 -8.461 -7.835 1.00 0.00 C ATOM 1804 C GLU A 114 -8.032 -8.946 -6.477 1.00 0.00 C ATOM 1805 O GLU A 114 -9.215 -9.241 -6.308 1.00 0.00 O ATOM 1806 CB GLU A 114 -7.141 -9.653 -8.712 1.00 0.00 C ATOM 1807 CG GLU A 114 -7.762 -9.616 -10.099 1.00 0.00 C ATOM 1808 CD GLU A 114 -7.678 -10.952 -10.809 1.00 0.00 C ATOM 1809 OE1 GLU A 114 -8.108 -11.966 -10.221 1.00 0.00 O ATOM 1810 OE2 GLU A 114 -7.182 -10.984 -11.955 1.00 0.00 O ATOM 0 H GLU A 114 -5.547 -7.860 -8.139 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.344 -7.918 -8.323 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -6.056 -9.680 -8.809 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -7.439 -10.575 -8.213 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.807 -9.317 -10.018 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -7.259 -8.857 -10.699 1.00 0.00 H new ATOM 1817 N VAL A 115 -7.122 -9.020 -5.510 1.00 0.00 N ATOM 1818 CA VAL A 115 -7.470 -9.462 -4.166 1.00 0.00 C ATOM 1819 C VAL A 115 -8.273 -8.390 -3.437 1.00 0.00 C ATOM 1820 O VAL A 115 -9.243 -8.691 -2.741 1.00 0.00 O ATOM 1821 CB VAL A 115 -6.215 -9.801 -3.339 1.00 0.00 C ATOM 1822 CG1 VAL A 115 -6.603 -10.503 -2.046 1.00 0.00 C ATOM 1823 CG2 VAL A 115 -5.253 -10.657 -4.151 1.00 0.00 C ATOM 0 H VAL A 115 -6.139 -8.779 -5.633 1.00 0.00 H new ATOM 0 HA VAL A 115 -8.074 -10.363 -4.272 1.00 0.00 H new ATOM 0 HB VAL A 115 -5.708 -8.870 -3.084 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -5.704 -10.735 -1.474 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -7.249 -9.851 -1.458 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -7.134 -11.426 -2.278 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -4.373 -10.886 -3.550 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -5.747 -11.585 -4.440 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.950 -10.114 -5.046 1.00 0.00 H new ATOM 1833 N SER A 116 -7.863 -7.136 -3.606 1.00 0.00 N ATOM 1834 CA SER A 116 -8.547 -6.015 -2.971 1.00 0.00 C ATOM 1835 C SER A 116 -9.997 -5.944 -3.429 1.00 0.00 C ATOM 1836 O SER A 116 -10.925 -6.069 -2.630 1.00 0.00 O ATOM 1837 CB SER A 116 -7.838 -4.698 -3.309 1.00 0.00 C ATOM 1838 OG SER A 116 -6.750 -4.911 -4.193 1.00 0.00 O ATOM 0 H SER A 116 -7.061 -6.871 -4.177 1.00 0.00 H new ATOM 0 HA SER A 116 -8.523 -6.169 -1.892 1.00 0.00 H new ATOM 0 HB2 SER A 116 -8.548 -4.006 -3.763 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.479 -4.230 -2.392 1.00 0.00 H new ATOM 0 HG SER A 116 -7.085 -4.989 -5.111 1.00 0.00 H new ATOM 1844 N GLY A 117 -10.176 -5.739 -4.728 1.00 0.00 N ATOM 1845 CA GLY A 117 -11.507 -5.646 -5.294 1.00 0.00 C ATOM 1846 C GLY A 117 -11.649 -4.454 -6.220 1.00 0.00 C ATOM 1847 O GLY A 117 -12.700 -3.814 -6.264 1.00 0.00 O ATOM 0 H GLY A 117 -9.418 -5.635 -5.403 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -11.732 -6.560 -5.843 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -12.238 -5.569 -4.489 1.00 0.00 H new ATOM 1851 N LEU A 118 -10.583 -4.152 -6.952 1.00 0.00 N ATOM 1852 CA LEU A 118 -10.580 -3.025 -7.878 1.00 0.00 C ATOM 1853 C LEU A 118 -10.499 -3.510 -9.323 1.00 0.00 C ATOM 1854 O LEU A 118 -10.976 -2.841 -10.240 1.00 0.00 O ATOM 1855 CB LEU A 118 -9.406 -2.087 -7.574 1.00 0.00 C ATOM 1856 CG LEU A 118 -8.853 -2.159 -6.145 1.00 0.00 C ATOM 1857 CD1 LEU A 118 -7.844 -1.048 -5.907 1.00 0.00 C ATOM 1858 CD2 LEU A 118 -9.984 -2.080 -5.127 1.00 0.00 C ATOM 0 H LEU A 118 -9.707 -4.673 -6.922 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.514 -2.478 -7.748 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -8.597 -2.310 -8.269 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -9.722 -1.063 -7.771 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.347 -3.116 -6.022 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.463 -1.115 -4.888 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -7.018 -1.150 -6.611 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -8.327 -0.081 -6.051 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.571 -2.133 -4.120 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.520 -1.139 -5.251 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.671 -2.912 -5.281 1.00 0.00 H new ATOM 1870 N LEU A 119 -9.891 -4.676 -9.520 1.00 0.00 N ATOM 1871 CA LEU A 119 -9.747 -5.249 -10.854 1.00 0.00 C ATOM 1872 C LEU A 119 -11.039 -5.932 -11.295 1.00 0.00 C ATOM 1873 O LEU A 119 -11.539 -5.687 -12.393 1.00 0.00 O ATOM 1874 CB LEU A 119 -8.592 -6.252 -10.877 1.00 0.00 C ATOM 1875 CG LEU A 119 -7.760 -6.251 -12.160 1.00 0.00 C ATOM 1876 CD1 LEU A 119 -8.648 -6.481 -13.372 1.00 0.00 C ATOM 1877 CD2 LEU A 119 -6.995 -4.944 -12.297 1.00 0.00 C ATOM 0 H LEU A 119 -9.490 -5.243 -8.773 1.00 0.00 H new ATOM 0 HA LEU A 119 -9.530 -4.439 -11.550 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.933 -6.043 -10.034 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.997 -7.253 -10.725 1.00 0.00 H new ATOM 0 HG LEU A 119 -7.039 -7.067 -12.104 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.038 -6.477 -14.276 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -9.150 -7.444 -13.277 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.393 -5.687 -13.433 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.408 -4.960 -13.215 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.699 -4.112 -12.331 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -6.329 -4.821 -11.443 1.00 0.00 H new ATOM 1889 N GLY A 120 -11.575 -6.787 -10.431 1.00 0.00 N ATOM 1890 CA GLY A 120 -12.803 -7.493 -10.749 1.00 0.00 C ATOM 1891 C GLY A 120 -12.716 -8.975 -10.448 1.00 0.00 C ATOM 1892 O GLY A 120 -12.368 -9.330 -9.302 1.00 0.00 O ATOM 1893 OXT GLY A 120 -12.995 -9.783 -11.359 1.00 0.00 O ATOM 0 H GLY A 120 -11.181 -7.004 -9.516 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -13.626 -7.058 -10.181 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -13.035 -7.353 -11.805 1.00 0.00 H new