USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 698 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 38 TYR OH : rot -3:sc= 0.555 USER MOD Set 1.2: A 55 HIS : no HE2:sc= -1.28 K(o=-0.72,f=-1.3) USER MOD Set 2.1: A 53 THR OG1 : rot -31:sc= 0.742 USER MOD Set 2.2: A 62 HIS :FLIP no HD1:sc= -0.146 F(o=-2.7,f=0.6) USER MOD Single : A 4 ASN : amide:sc= -0.15 K(o=-0.15,f=-1.8!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -2.71! C(o=-2.7!,f=-14!) USER MOD Single : A 9 ASN : amide:sc= 0.423 K(o=0.42,f=-0.37) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0263 USER MOD Single : A 21 THR OG1 : rot 108:sc= 1.16 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.429 K(o=-0.43,f=-2.8!) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.0509 USER MOD Single : A 35 ASN : amide:sc= -0.643 K(o=-0.64,f=-7.1!) USER MOD Single : A 36 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.57) USER MOD Single : A 42 LYS NZ :NH3+ 167:sc= 0.331 (180deg=0.232) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS :FLIP no HD1:sc= -0.89 F(o=-2.3!,f=-0.89) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -21:sc= 0.519 USER MOD Single : A 57 ASN : amide:sc= -0.994 K(o=-0.99,f=-4!) USER MOD Single : A 64 SER OG : rot 180:sc= -1.25 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 MET CE :methyl -177:sc= -18.5! (180deg=-18.8!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.0508 K(o=-0.051,f=-1) USER MOD Single : A 86 THR OG1 : rot 61:sc= 0.754 USER MOD Single : A 87 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00546) USER MOD Single : A 88 HIS :FLIP no HD1:sc= -5.31 F(o=-7.5!,f=-5.3) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N LEU A 3 0.213 -10.460 -4.836 1.00 0.00 N ATOM 38 CA LEU A 3 -0.648 -9.537 -4.106 1.00 0.00 C ATOM 39 C LEU A 3 -1.990 -9.372 -4.811 1.00 0.00 C ATOM 40 O LEU A 3 -2.070 -9.437 -6.037 1.00 0.00 O ATOM 41 CB LEU A 3 0.037 -8.176 -3.953 1.00 0.00 C ATOM 42 CG LEU A 3 0.170 -7.363 -5.242 1.00 0.00 C ATOM 43 CD1 LEU A 3 -0.058 -5.885 -4.966 1.00 0.00 C ATOM 44 CD2 LEU A 3 1.538 -7.584 -5.872 1.00 0.00 C ATOM 0 HA LEU A 3 -0.829 -9.955 -3.116 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.522 -7.586 -3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.032 -8.333 -3.538 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.591 -7.703 -5.944 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.041 -5.322 -5.894 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.059 -5.741 -4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.681 -5.531 -4.247 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.616 -6.998 -6.788 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.315 -7.271 -5.174 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.665 -8.641 -6.106 1.00 0.00 H new ATOM 56 N ASN A 4 -3.041 -9.162 -4.027 1.00 0.00 N ATOM 57 CA ASN A 4 -4.380 -8.990 -4.575 1.00 0.00 C ATOM 58 C ASN A 4 -5.161 -7.938 -3.795 1.00 0.00 C ATOM 59 O ASN A 4 -4.827 -7.623 -2.653 1.00 0.00 O ATOM 60 CB ASN A 4 -5.135 -10.322 -4.557 1.00 0.00 C ATOM 61 CG ASN A 4 -5.759 -10.653 -5.899 1.00 0.00 C ATOM 62 OD1 ASN A 4 -5.986 -9.770 -6.724 1.00 0.00 O ATOM 63 ND2 ASN A 4 -6.038 -11.931 -6.122 1.00 0.00 N ATOM 0 H ASN A 4 -2.991 -9.107 -3.010 1.00 0.00 H new ATOM 0 HA ASN A 4 -4.281 -8.649 -5.605 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.450 -11.120 -4.271 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.915 -10.284 -3.797 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -6.458 -12.214 -7.007 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.832 -12.630 -5.408 1.00 0.00 H new ATOM 70 N ILE A 5 -6.203 -7.399 -4.418 1.00 0.00 N ATOM 71 CA ILE A 5 -7.034 -6.383 -3.782 1.00 0.00 C ATOM 72 C ILE A 5 -8.513 -6.717 -3.931 1.00 0.00 C ATOM 73 O ILE A 5 -8.913 -7.399 -4.874 1.00 0.00 O ATOM 74 CB ILE A 5 -6.782 -4.977 -4.369 1.00 0.00 C ATOM 75 CG1 ILE A 5 -6.358 -5.065 -5.837 1.00 0.00 C ATOM 76 CG2 ILE A 5 -5.730 -4.241 -3.551 1.00 0.00 C ATOM 77 CD1 ILE A 5 -6.495 -3.755 -6.584 1.00 0.00 C ATOM 0 H ILE A 5 -6.493 -7.649 -5.364 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.760 -6.377 -2.727 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.715 -4.415 -4.321 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.321 -5.397 -5.888 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.961 -5.824 -6.336 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.564 -3.252 -3.978 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -6.075 -4.139 -2.522 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.797 -4.804 -3.567 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.177 -3.891 -7.618 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.536 -3.432 -6.564 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.871 -2.998 -6.109 1.00 0.00 H new ATOM 89 N THR A 6 -9.322 -6.223 -3.000 1.00 0.00 N ATOM 90 CA THR A 6 -10.759 -6.456 -3.033 1.00 0.00 C ATOM 91 C THR A 6 -11.499 -5.181 -2.647 1.00 0.00 C ATOM 92 O THR A 6 -11.331 -4.667 -1.540 1.00 0.00 O ATOM 93 CB THR A 6 -11.138 -7.592 -2.084 1.00 0.00 C ATOM 94 OG1 THR A 6 -10.446 -8.780 -2.422 1.00 0.00 O ATOM 95 CG2 THR A 6 -12.618 -7.905 -2.086 1.00 0.00 C ATOM 0 H THR A 6 -9.005 -5.658 -2.212 1.00 0.00 H new ATOM 0 HA THR A 6 -11.045 -6.742 -4.045 1.00 0.00 H new ATOM 0 HB THR A 6 -10.859 -7.243 -1.090 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.701 -9.495 -1.802 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.818 -8.720 -1.391 1.00 0.00 H new ATOM 0 HG22 THR A 6 -13.177 -7.021 -1.779 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.926 -8.199 -3.089 1.00 0.00 H new ATOM 103 N GLY A 7 -12.306 -4.666 -3.565 1.00 0.00 N ATOM 104 CA GLY A 7 -13.042 -3.446 -3.299 1.00 0.00 C ATOM 105 C GLY A 7 -14.487 -3.698 -2.918 1.00 0.00 C ATOM 106 O GLY A 7 -15.202 -4.430 -3.606 1.00 0.00 O ATOM 0 H GLY A 7 -12.464 -5.071 -4.488 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.550 -2.899 -2.495 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.011 -2.809 -4.183 1.00 0.00 H new ATOM 110 N ASN A 8 -14.919 -3.082 -1.824 1.00 0.00 N ATOM 111 CA ASN A 8 -16.292 -3.226 -1.350 1.00 0.00 C ATOM 112 C ASN A 8 -17.077 -1.942 -1.589 1.00 0.00 C ATOM 113 O ASN A 8 -16.830 -0.924 -0.943 1.00 0.00 O ATOM 114 CB ASN A 8 -16.315 -3.587 0.141 1.00 0.00 C ATOM 115 CG ASN A 8 -15.262 -2.850 0.946 1.00 0.00 C ATOM 116 OD1 ASN A 8 -14.560 -1.982 0.428 1.00 0.00 O ATOM 117 ND2 ASN A 8 -15.146 -3.195 2.224 1.00 0.00 N ATOM 0 H ASN A 8 -14.337 -2.476 -1.246 1.00 0.00 H new ATOM 0 HA ASN A 8 -16.762 -4.034 -1.911 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -17.300 -3.361 0.549 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -16.163 -4.661 0.251 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -14.454 -2.735 2.816 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -15.749 -3.920 2.613 1.00 0.00 H new ATOM 124 N ASN A 9 -18.020 -1.994 -2.526 1.00 0.00 N ATOM 125 CA ASN A 9 -18.838 -0.833 -2.860 1.00 0.00 C ATOM 126 C ASN A 9 -18.017 0.203 -3.621 1.00 0.00 C ATOM 127 O ASN A 9 -18.222 1.408 -3.472 1.00 0.00 O ATOM 128 CB ASN A 9 -19.426 -0.204 -1.594 1.00 0.00 C ATOM 129 CG ASN A 9 -20.660 0.627 -1.880 1.00 0.00 C ATOM 130 OD1 ASN A 9 -21.574 0.186 -2.576 1.00 0.00 O ATOM 131 ND2 ASN A 9 -20.694 1.843 -1.343 1.00 0.00 N ATOM 0 H ASN A 9 -18.236 -2.830 -3.068 1.00 0.00 H new ATOM 0 HA ASN A 9 -19.656 -1.170 -3.497 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -19.679 -0.992 -0.884 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -18.671 0.423 -1.119 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -21.499 2.448 -1.502 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -19.915 2.170 -0.772 1.00 0.00 H new ATOM 138 N VAL A 10 -17.089 -0.277 -4.445 1.00 0.00 N ATOM 139 CA VAL A 10 -16.240 0.602 -5.238 1.00 0.00 C ATOM 140 C VAL A 10 -15.791 -0.088 -6.525 1.00 0.00 C ATOM 141 O VAL A 10 -15.396 -1.253 -6.508 1.00 0.00 O ATOM 142 CB VAL A 10 -15.003 1.062 -4.445 1.00 0.00 C ATOM 143 CG1 VAL A 10 -14.153 -0.130 -4.049 1.00 0.00 C ATOM 144 CG2 VAL A 10 -14.191 2.064 -5.252 1.00 0.00 C ATOM 0 H VAL A 10 -16.907 -1.272 -4.580 1.00 0.00 H new ATOM 0 HA VAL A 10 -16.837 1.479 -5.490 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.341 1.557 -3.534 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.283 0.213 -3.489 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -14.741 -0.806 -3.428 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.824 -0.656 -4.945 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.321 2.377 -4.674 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.861 1.600 -6.182 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -14.808 2.934 -5.479 1.00 0.00 H new ATOM 154 N GLU A 11 -15.855 0.638 -7.636 1.00 0.00 N ATOM 155 CA GLU A 11 -15.455 0.091 -8.929 1.00 0.00 C ATOM 156 C GLU A 11 -13.937 -0.037 -9.026 1.00 0.00 C ATOM 157 O GLU A 11 -13.214 0.955 -8.930 1.00 0.00 O ATOM 158 CB GLU A 11 -15.977 0.974 -10.063 1.00 0.00 C ATOM 159 CG GLU A 11 -16.424 0.190 -11.287 1.00 0.00 C ATOM 160 CD GLU A 11 -17.738 0.691 -11.853 1.00 0.00 C ATOM 161 OE1 GLU A 11 -18.709 0.819 -11.077 1.00 0.00 O ATOM 162 OE2 GLU A 11 -17.797 0.958 -13.072 1.00 0.00 O ATOM 0 H GLU A 11 -16.179 1.605 -7.668 1.00 0.00 H new ATOM 0 HA GLU A 11 -15.890 -0.904 -9.021 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -16.815 1.566 -9.695 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -15.195 1.675 -10.356 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.654 0.254 -12.056 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -16.524 -0.863 -11.023 1.00 0.00 H new ATOM 169 N ILE A 12 -13.462 -1.263 -9.219 1.00 0.00 N ATOM 170 CA ILE A 12 -12.032 -1.522 -9.330 1.00 0.00 C ATOM 171 C ILE A 12 -11.532 -1.247 -10.746 1.00 0.00 C ATOM 172 O ILE A 12 -11.592 -2.116 -11.614 1.00 0.00 O ATOM 173 CB ILE A 12 -11.692 -2.978 -8.951 1.00 0.00 C ATOM 174 CG1 ILE A 12 -12.258 -3.315 -7.569 1.00 0.00 C ATOM 175 CG2 ILE A 12 -10.186 -3.206 -8.989 1.00 0.00 C ATOM 176 CD1 ILE A 12 -11.573 -2.581 -6.437 1.00 0.00 C ATOM 0 H ILE A 12 -14.048 -2.094 -9.302 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.534 -0.848 -8.633 1.00 0.00 H new ATOM 0 HB ILE A 12 -12.153 -3.642 -9.682 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -13.322 -3.077 -7.554 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.169 -4.388 -7.401 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.967 -4.239 -8.719 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.813 -3.007 -9.994 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.698 -2.535 -8.282 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -12.027 -2.870 -5.489 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.514 -2.838 -6.425 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.684 -1.506 -6.580 1.00 0.00 H new ATOM 188 N THR A 13 -11.038 -0.033 -10.969 1.00 0.00 N ATOM 189 CA THR A 13 -10.528 0.355 -12.280 1.00 0.00 C ATOM 190 C THR A 13 -9.008 0.226 -12.329 1.00 0.00 C ATOM 191 O THR A 13 -8.327 0.451 -11.328 1.00 0.00 O ATOM 192 CB THR A 13 -10.942 1.791 -12.608 1.00 0.00 C ATOM 193 OG1 THR A 13 -10.870 2.608 -11.453 1.00 0.00 O ATOM 194 CG2 THR A 13 -12.346 1.896 -13.161 1.00 0.00 C ATOM 0 H THR A 13 -10.980 0.698 -10.260 1.00 0.00 H new ATOM 0 HA THR A 13 -10.957 -0.316 -13.024 1.00 0.00 H new ATOM 0 HB THR A 13 -10.243 2.128 -13.373 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.137 3.523 -11.682 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.577 2.940 -13.372 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.419 1.315 -14.080 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.055 1.509 -12.429 1.00 0.00 H new ATOM 202 N GLU A 14 -8.486 -0.151 -13.497 1.00 0.00 N ATOM 203 CA GLU A 14 -7.045 -0.329 -13.693 1.00 0.00 C ATOM 204 C GLU A 14 -6.225 0.708 -12.925 1.00 0.00 C ATOM 205 O GLU A 14 -5.219 0.372 -12.299 1.00 0.00 O ATOM 206 CB GLU A 14 -6.705 -0.253 -15.182 1.00 0.00 C ATOM 207 CG GLU A 14 -7.326 -1.370 -16.006 1.00 0.00 C ATOM 208 CD GLU A 14 -6.600 -1.599 -17.317 1.00 0.00 C ATOM 209 OE1 GLU A 14 -5.616 -2.369 -17.326 1.00 0.00 O ATOM 210 OE2 GLU A 14 -7.016 -1.009 -18.336 1.00 0.00 O ATOM 0 H GLU A 14 -9.045 -0.341 -14.329 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.785 -1.313 -13.302 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.041 0.707 -15.574 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.622 -0.284 -15.301 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.319 -2.292 -15.425 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.369 -1.129 -16.210 1.00 0.00 H new ATOM 217 N ALA A 15 -6.656 1.965 -12.974 1.00 0.00 N ATOM 218 CA ALA A 15 -5.952 3.038 -12.278 1.00 0.00 C ATOM 219 C ALA A 15 -5.797 2.720 -10.795 1.00 0.00 C ATOM 220 O ALA A 15 -4.724 2.893 -10.219 1.00 0.00 O ATOM 221 CB ALA A 15 -6.685 4.357 -12.465 1.00 0.00 C ATOM 0 H ALA A 15 -7.486 2.265 -13.486 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.955 3.126 -12.709 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.149 5.148 -11.941 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.738 4.596 -13.527 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.694 4.273 -12.061 1.00 0.00 H new ATOM 227 N LEU A 16 -6.878 2.249 -10.185 1.00 0.00 N ATOM 228 CA LEU A 16 -6.874 1.897 -8.770 1.00 0.00 C ATOM 229 C LEU A 16 -5.779 0.880 -8.465 1.00 0.00 C ATOM 230 O LEU A 16 -4.805 1.187 -7.779 1.00 0.00 O ATOM 231 CB LEU A 16 -8.237 1.333 -8.363 1.00 0.00 C ATOM 232 CG LEU A 16 -8.484 1.268 -6.857 1.00 0.00 C ATOM 233 CD1 LEU A 16 -8.913 2.627 -6.331 1.00 0.00 C ATOM 234 CD2 LEU A 16 -9.531 0.213 -6.534 1.00 0.00 C ATOM 0 H LEU A 16 -7.773 2.101 -10.651 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.674 2.801 -8.195 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.017 1.944 -8.818 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.336 0.329 -8.776 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.553 0.988 -6.365 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.085 2.564 -5.257 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.130 3.358 -6.531 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.833 2.936 -6.828 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.694 0.180 -5.457 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.466 0.463 -7.035 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.184 -0.761 -6.878 1.00 0.00 H new ATOM 246 N ARG A 17 -5.946 -0.331 -8.986 1.00 0.00 N ATOM 247 CA ARG A 17 -4.973 -1.396 -8.775 1.00 0.00 C ATOM 248 C ARG A 17 -3.568 -0.925 -9.141 1.00 0.00 C ATOM 249 O ARG A 17 -2.594 -1.253 -8.463 1.00 0.00 O ATOM 250 CB ARG A 17 -5.342 -2.630 -9.604 1.00 0.00 C ATOM 251 CG ARG A 17 -5.527 -2.339 -11.083 1.00 0.00 C ATOM 252 CD ARG A 17 -5.602 -3.620 -11.898 1.00 0.00 C ATOM 253 NE ARG A 17 -4.282 -4.205 -12.123 1.00 0.00 N ATOM 254 CZ ARG A 17 -3.405 -3.734 -13.006 1.00 0.00 C ATOM 255 NH1 ARG A 17 -3.702 -2.675 -13.747 1.00 0.00 N ATOM 256 NH2 ARG A 17 -2.226 -4.324 -13.148 1.00 0.00 N ATOM 0 H ARG A 17 -6.747 -0.599 -9.558 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.987 -1.663 -7.718 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.562 -3.383 -9.486 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.263 -3.060 -9.209 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.438 -1.759 -11.230 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.699 -1.727 -11.441 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.235 -4.342 -11.381 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.074 -3.412 -12.858 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.018 -5.021 -11.572 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.607 -2.217 -13.642 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.025 -2.319 -14.422 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.992 -5.139 -12.581 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.553 -3.963 -13.825 1.00 0.00 H new ATOM 270 N GLU A 18 -3.474 -0.156 -10.221 1.00 0.00 N ATOM 271 CA GLU A 18 -2.193 0.361 -10.686 1.00 0.00 C ATOM 272 C GLU A 18 -1.571 1.311 -9.666 1.00 0.00 C ATOM 273 O GLU A 18 -0.430 1.119 -9.246 1.00 0.00 O ATOM 274 CB GLU A 18 -2.367 1.081 -12.024 1.00 0.00 C ATOM 275 CG GLU A 18 -2.256 0.160 -13.230 1.00 0.00 C ATOM 276 CD GLU A 18 -3.215 0.535 -14.342 1.00 0.00 C ATOM 277 OE1 GLU A 18 -3.792 1.642 -14.283 1.00 0.00 O ATOM 278 OE2 GLU A 18 -3.391 -0.278 -15.274 1.00 0.00 O ATOM 0 H GLU A 18 -4.272 0.123 -10.791 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.521 -0.487 -10.815 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.341 1.571 -12.040 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.614 1.865 -12.106 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.235 0.188 -13.611 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.451 -0.866 -12.918 1.00 0.00 H new ATOM 285 N PHE A 19 -2.317 2.342 -9.279 1.00 0.00 N ATOM 286 CA PHE A 19 -1.822 3.323 -8.320 1.00 0.00 C ATOM 287 C PHE A 19 -1.458 2.665 -6.989 1.00 0.00 C ATOM 288 O PHE A 19 -0.395 2.931 -6.428 1.00 0.00 O ATOM 289 CB PHE A 19 -2.847 4.463 -8.145 1.00 0.00 C ATOM 290 CG PHE A 19 -3.716 4.390 -6.914 1.00 0.00 C ATOM 291 CD1 PHE A 19 -3.172 4.480 -5.641 1.00 0.00 C ATOM 292 CD2 PHE A 19 -5.086 4.256 -7.041 1.00 0.00 C ATOM 293 CE1 PHE A 19 -3.981 4.431 -4.522 1.00 0.00 C ATOM 294 CE2 PHE A 19 -5.901 4.204 -5.927 1.00 0.00 C ATOM 295 CZ PHE A 19 -5.348 4.291 -4.665 1.00 0.00 C ATOM 0 H PHE A 19 -3.264 2.519 -9.614 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.903 3.760 -8.712 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.308 5.410 -8.129 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.494 4.480 -9.022 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.104 4.590 -5.523 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.525 4.191 -8.025 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -3.545 4.502 -3.536 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.969 4.095 -6.043 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.982 4.250 -3.792 1.00 0.00 H new ATOM 305 N VAL A 20 -2.334 1.799 -6.489 1.00 0.00 N ATOM 306 CA VAL A 20 -2.080 1.107 -5.228 1.00 0.00 C ATOM 307 C VAL A 20 -0.855 0.207 -5.347 1.00 0.00 C ATOM 308 O VAL A 20 0.069 0.282 -4.533 1.00 0.00 O ATOM 309 CB VAL A 20 -3.287 0.253 -4.787 1.00 0.00 C ATOM 310 CG1 VAL A 20 -3.141 -0.163 -3.331 1.00 0.00 C ATOM 311 CG2 VAL A 20 -4.593 1.007 -5.005 1.00 0.00 C ATOM 0 H VAL A 20 -3.220 1.560 -6.933 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.905 1.876 -4.476 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.312 -0.647 -5.401 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.001 -0.765 -3.037 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.230 -0.749 -3.210 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.088 0.726 -2.702 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.430 0.385 -4.687 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.583 1.928 -4.422 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.702 1.248 -6.062 1.00 0.00 H new ATOM 321 N THR A 21 -0.850 -0.637 -6.373 1.00 0.00 N ATOM 322 CA THR A 21 0.264 -1.546 -6.609 1.00 0.00 C ATOM 323 C THR A 21 1.540 -0.761 -6.890 1.00 0.00 C ATOM 324 O THR A 21 2.626 -1.142 -6.451 1.00 0.00 O ATOM 325 CB THR A 21 -0.046 -2.478 -7.782 1.00 0.00 C ATOM 326 OG1 THR A 21 -1.265 -3.165 -7.567 1.00 0.00 O ATOM 327 CG2 THR A 21 1.028 -3.514 -8.024 1.00 0.00 C ATOM 0 H THR A 21 -1.606 -0.710 -7.054 1.00 0.00 H new ATOM 0 HA THR A 21 0.412 -2.148 -5.712 1.00 0.00 H new ATOM 0 HB THR A 21 -0.106 -1.831 -8.657 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.952 -2.809 -8.169 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.745 -4.141 -8.869 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.972 -3.015 -8.243 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.143 -4.134 -7.135 1.00 0.00 H new ATOM 335 N ALA A 22 1.399 0.340 -7.622 1.00 0.00 N ATOM 336 CA ALA A 22 2.537 1.188 -7.961 1.00 0.00 C ATOM 337 C ALA A 22 3.313 1.583 -6.710 1.00 0.00 C ATOM 338 O ALA A 22 4.544 1.609 -6.712 1.00 0.00 O ATOM 339 CB ALA A 22 2.068 2.427 -8.707 1.00 0.00 C ATOM 0 H ALA A 22 0.506 0.666 -7.992 1.00 0.00 H new ATOM 0 HA ALA A 22 3.204 0.620 -8.609 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.927 3.050 -8.953 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.561 2.129 -9.625 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.379 2.991 -8.078 1.00 0.00 H new ATOM 345 N LYS A 23 2.584 1.881 -5.639 1.00 0.00 N ATOM 346 CA LYS A 23 3.203 2.262 -4.377 1.00 0.00 C ATOM 347 C LYS A 23 3.951 1.078 -3.776 1.00 0.00 C ATOM 348 O LYS A 23 5.142 1.168 -3.472 1.00 0.00 O ATOM 349 CB LYS A 23 2.147 2.770 -3.394 1.00 0.00 C ATOM 350 CG LYS A 23 1.202 3.799 -3.995 1.00 0.00 C ATOM 351 CD LYS A 23 1.558 5.210 -3.550 1.00 0.00 C ATOM 352 CE LYS A 23 1.396 6.208 -4.684 1.00 0.00 C ATOM 353 NZ LYS A 23 2.418 7.289 -4.624 1.00 0.00 N ATOM 0 H LYS A 23 1.564 1.866 -5.621 1.00 0.00 H new ATOM 0 HA LYS A 23 3.914 3.066 -4.571 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.565 1.924 -3.029 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.647 3.209 -2.531 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.241 3.739 -5.083 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.178 3.571 -3.699 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.922 5.501 -2.714 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.587 5.231 -3.190 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.474 5.688 -5.639 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.400 6.648 -4.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.272 7.949 -5.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.328 7.802 -3.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.368 6.872 -4.691 1.00 0.00 H new ATOM 367 N PHE A 24 3.245 -0.038 -3.616 1.00 0.00 N ATOM 368 CA PHE A 24 3.847 -1.245 -3.062 1.00 0.00 C ATOM 369 C PHE A 24 5.122 -1.601 -3.818 1.00 0.00 C ATOM 370 O PHE A 24 6.144 -1.929 -3.216 1.00 0.00 O ATOM 371 CB PHE A 24 2.858 -2.412 -3.121 1.00 0.00 C ATOM 372 CG PHE A 24 2.119 -2.632 -1.832 1.00 0.00 C ATOM 373 CD1 PHE A 24 2.722 -3.303 -0.780 1.00 0.00 C ATOM 374 CD2 PHE A 24 0.824 -2.167 -1.672 1.00 0.00 C ATOM 375 CE1 PHE A 24 2.046 -3.506 0.410 1.00 0.00 C ATOM 376 CE2 PHE A 24 0.143 -2.368 -0.485 1.00 0.00 C ATOM 377 CZ PHE A 24 0.755 -3.037 0.556 1.00 0.00 C ATOM 0 H PHE A 24 2.259 -0.131 -3.861 1.00 0.00 H new ATOM 0 HA PHE A 24 4.101 -1.053 -2.019 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.137 -2.228 -3.918 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.397 -3.323 -3.383 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.731 -3.672 -0.890 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.341 -1.642 -2.483 1.00 0.00 H new ATOM 0 HE1 PHE A 24 2.527 -4.030 1.223 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.867 -2.002 -0.373 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.225 -3.194 1.484 1.00 0.00 H new ATOM 387 N ALA A 25 5.056 -1.519 -5.145 1.00 0.00 N ATOM 388 CA ALA A 25 6.207 -1.820 -5.988 1.00 0.00 C ATOM 389 C ALA A 25 7.409 -0.975 -5.581 1.00 0.00 C ATOM 390 O ALA A 25 8.492 -1.500 -5.329 1.00 0.00 O ATOM 391 CB ALA A 25 5.865 -1.588 -7.451 1.00 0.00 C ATOM 0 H ALA A 25 4.217 -1.247 -5.658 1.00 0.00 H new ATOM 0 HA ALA A 25 6.467 -2.870 -5.853 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.734 -1.817 -8.068 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.036 -2.235 -7.738 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.580 -0.546 -7.597 1.00 0.00 H new ATOM 397 N LYS A 26 7.207 0.341 -5.512 1.00 0.00 N ATOM 398 CA LYS A 26 8.275 1.257 -5.126 1.00 0.00 C ATOM 399 C LYS A 26 8.908 0.824 -3.806 1.00 0.00 C ATOM 400 O LYS A 26 10.084 1.083 -3.556 1.00 0.00 O ATOM 401 CB LYS A 26 7.733 2.684 -5.007 1.00 0.00 C ATOM 402 CG LYS A 26 8.365 3.658 -5.990 1.00 0.00 C ATOM 403 CD LYS A 26 8.681 4.992 -5.331 1.00 0.00 C ATOM 404 CE LYS A 26 10.159 5.109 -4.993 1.00 0.00 C ATOM 405 NZ LYS A 26 10.596 6.529 -4.899 1.00 0.00 N ATOM 0 H LYS A 26 6.316 0.793 -5.718 1.00 0.00 H new ATOM 0 HA LYS A 26 9.042 1.234 -5.900 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.655 2.669 -5.166 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.901 3.044 -3.992 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.280 3.225 -6.394 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.689 3.818 -6.830 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.393 5.805 -5.997 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.089 5.100 -4.422 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.356 4.605 -4.047 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.747 4.598 -5.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.609 6.566 -4.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.432 7.004 -5.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.053 7.011 -4.154 1.00 0.00 H new ATOM 419 N LEU A 27 8.119 0.152 -2.972 1.00 0.00 N ATOM 420 CA LEU A 27 8.607 -0.331 -1.686 1.00 0.00 C ATOM 421 C LEU A 27 9.363 -1.644 -1.863 1.00 0.00 C ATOM 422 O LEU A 27 10.285 -1.952 -1.108 1.00 0.00 O ATOM 423 CB LEU A 27 7.444 -0.525 -0.711 1.00 0.00 C ATOM 424 CG LEU A 27 6.969 0.746 -0.006 1.00 0.00 C ATOM 425 CD1 LEU A 27 6.065 1.557 -0.919 1.00 0.00 C ATOM 426 CD2 LEU A 27 6.251 0.399 1.288 1.00 0.00 C ATOM 0 H LEU A 27 7.142 -0.069 -3.164 1.00 0.00 H new ATOM 0 HA LEU A 27 9.288 0.415 -1.276 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.603 -0.956 -1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.742 -1.252 0.045 1.00 0.00 H new ATOM 0 HG LEU A 27 7.842 1.352 0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.737 2.458 -0.400 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.613 1.836 -1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.196 0.960 -1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.920 1.315 1.777 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.387 -0.228 1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.931 -0.139 1.948 1.00 0.00 H new ATOM 438 N GLU A 28 8.964 -2.410 -2.873 1.00 0.00 N ATOM 439 CA GLU A 28 9.594 -3.692 -3.171 1.00 0.00 C ATOM 440 C GLU A 28 11.069 -3.521 -3.535 1.00 0.00 C ATOM 441 O GLU A 28 11.824 -4.494 -3.563 1.00 0.00 O ATOM 442 CB GLU A 28 8.852 -4.396 -4.310 1.00 0.00 C ATOM 443 CG GLU A 28 7.926 -5.504 -3.839 1.00 0.00 C ATOM 444 CD GLU A 28 7.232 -6.211 -4.987 1.00 0.00 C ATOM 445 OE1 GLU A 28 7.931 -6.638 -5.929 1.00 0.00 O ATOM 446 OE2 GLU A 28 5.991 -6.339 -4.943 1.00 0.00 O ATOM 0 H GLU A 28 8.201 -2.163 -3.504 1.00 0.00 H new ATOM 0 HA GLU A 28 9.538 -4.305 -2.272 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.271 -3.659 -4.864 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.581 -4.814 -5.004 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.499 -6.231 -3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.176 -5.085 -3.168 1.00 0.00 H new ATOM 453 N GLN A 29 11.481 -2.285 -3.810 1.00 0.00 N ATOM 454 CA GLN A 29 12.867 -2.007 -4.164 1.00 0.00 C ATOM 455 C GLN A 29 13.774 -2.138 -2.944 1.00 0.00 C ATOM 456 O GLN A 29 14.764 -2.866 -2.971 1.00 0.00 O ATOM 457 CB GLN A 29 12.992 -0.602 -4.760 1.00 0.00 C ATOM 458 CG GLN A 29 14.374 -0.297 -5.313 1.00 0.00 C ATOM 459 CD GLN A 29 15.113 0.746 -4.499 1.00 0.00 C ATOM 460 OE1 GLN A 29 14.500 1.582 -3.835 1.00 0.00 O ATOM 461 NE2 GLN A 29 16.440 0.704 -4.547 1.00 0.00 N ATOM 0 H GLN A 29 10.876 -1.464 -3.794 1.00 0.00 H new ATOM 0 HA GLN A 29 13.181 -2.738 -4.909 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.257 -0.488 -5.557 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.747 0.132 -3.993 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.961 -1.215 -5.339 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.281 0.050 -6.342 1.00 0.00 H new ATOM 0 HE21 GLN A 29 16.908 -0.006 -5.110 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.991 1.382 -4.020 1.00 0.00 H new ATOM 470 N TYR A 30 13.426 -1.426 -1.876 1.00 0.00 N ATOM 471 CA TYR A 30 14.213 -1.467 -0.646 1.00 0.00 C ATOM 472 C TYR A 30 13.671 -2.512 0.328 1.00 0.00 C ATOM 473 O TYR A 30 14.407 -3.017 1.175 1.00 0.00 O ATOM 474 CB TYR A 30 14.260 -0.087 0.025 1.00 0.00 C ATOM 475 CG TYR A 30 12.997 0.731 -0.136 1.00 0.00 C ATOM 476 CD1 TYR A 30 11.893 0.513 0.678 1.00 0.00 C ATOM 477 CD2 TYR A 30 12.914 1.727 -1.100 1.00 0.00 C ATOM 478 CE1 TYR A 30 10.742 1.265 0.536 1.00 0.00 C ATOM 479 CE2 TYR A 30 11.767 2.482 -1.250 1.00 0.00 C ATOM 480 CZ TYR A 30 10.684 2.247 -0.431 1.00 0.00 C ATOM 481 OH TYR A 30 9.540 2.998 -0.575 1.00 0.00 O ATOM 0 H TYR A 30 12.609 -0.817 -1.836 1.00 0.00 H new ATOM 0 HA TYR A 30 15.229 -1.753 -0.920 1.00 0.00 H new ATOM 0 HB2 TYR A 30 14.459 -0.220 1.088 1.00 0.00 H new ATOM 0 HB3 TYR A 30 15.098 0.476 -0.388 1.00 0.00 H new ATOM 0 HD1 TYR A 30 11.935 -0.257 1.434 1.00 0.00 H new ATOM 0 HD2 TYR A 30 13.761 1.915 -1.744 1.00 0.00 H new ATOM 0 HE1 TYR A 30 9.893 1.085 1.179 1.00 0.00 H new ATOM 0 HE2 TYR A 30 11.719 3.253 -2.005 1.00 0.00 H new ATOM 0 HH TYR A 30 9.663 3.646 -1.299 1.00 0.00 H new ATOM 491 N PHE A 31 12.387 -2.843 0.198 1.00 0.00 N ATOM 492 CA PHE A 31 11.772 -3.840 1.070 1.00 0.00 C ATOM 493 C PHE A 31 11.655 -5.182 0.355 1.00 0.00 C ATOM 494 O PHE A 31 10.984 -5.294 -0.670 1.00 0.00 O ATOM 495 CB PHE A 31 10.387 -3.376 1.534 1.00 0.00 C ATOM 496 CG PHE A 31 10.409 -2.158 2.419 1.00 0.00 C ATOM 497 CD1 PHE A 31 11.498 -1.886 3.233 1.00 0.00 C ATOM 498 CD2 PHE A 31 9.334 -1.284 2.436 1.00 0.00 C ATOM 499 CE1 PHE A 31 11.515 -0.770 4.045 1.00 0.00 C ATOM 500 CE2 PHE A 31 9.343 -0.164 3.247 1.00 0.00 C ATOM 501 CZ PHE A 31 10.436 0.093 4.052 1.00 0.00 C ATOM 0 H PHE A 31 11.758 -2.439 -0.496 1.00 0.00 H new ATOM 0 HA PHE A 31 12.412 -3.961 1.944 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.775 -3.164 0.658 1.00 0.00 H new ATOM 0 HB3 PHE A 31 9.903 -4.192 2.070 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.345 -2.557 3.232 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.478 -1.480 1.808 1.00 0.00 H new ATOM 0 HE1 PHE A 31 12.370 -0.572 4.674 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.498 0.508 3.251 1.00 0.00 H new ATOM 0 HZ PHE A 31 10.447 0.967 4.686 1.00 0.00 H new ATOM 511 N ASP A 32 12.313 -6.196 0.905 1.00 0.00 N ATOM 512 CA ASP A 32 12.285 -7.533 0.321 1.00 0.00 C ATOM 513 C ASP A 32 11.451 -8.494 1.168 1.00 0.00 C ATOM 514 O ASP A 32 11.294 -9.664 0.818 1.00 0.00 O ATOM 515 CB ASP A 32 13.709 -8.072 0.168 1.00 0.00 C ATOM 516 CG ASP A 32 14.235 -7.922 -1.246 1.00 0.00 C ATOM 517 OD1 ASP A 32 14.495 -6.774 -1.663 1.00 0.00 O ATOM 518 OD2 ASP A 32 14.388 -8.953 -1.935 1.00 0.00 O ATOM 0 H ASP A 32 12.872 -6.118 1.754 1.00 0.00 H new ATOM 0 HA ASP A 32 11.820 -7.459 -0.662 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.370 -7.545 0.856 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.728 -9.125 0.450 1.00 0.00 H new ATOM 523 N ARG A 33 10.918 -8.000 2.284 1.00 0.00 N ATOM 524 CA ARG A 33 10.104 -8.824 3.170 1.00 0.00 C ATOM 525 C ARG A 33 8.631 -8.747 2.783 1.00 0.00 C ATOM 526 O ARG A 33 7.768 -8.497 3.627 1.00 0.00 O ATOM 527 CB ARG A 33 10.285 -8.377 4.623 1.00 0.00 C ATOM 528 CG ARG A 33 11.733 -8.115 5.004 1.00 0.00 C ATOM 529 CD ARG A 33 11.988 -8.425 6.470 1.00 0.00 C ATOM 530 NE ARG A 33 13.414 -8.544 6.765 1.00 0.00 N ATOM 531 CZ ARG A 33 14.158 -9.590 6.412 1.00 0.00 C ATOM 532 NH1 ARG A 33 13.617 -10.606 5.749 1.00 0.00 N ATOM 533 NH2 ARG A 33 15.448 -9.620 6.720 1.00 0.00 N ATOM 0 H ARG A 33 11.036 -7.035 2.594 1.00 0.00 H new ATOM 0 HA ARG A 33 10.434 -9.858 3.070 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.704 -7.470 4.790 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.877 -9.143 5.283 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.390 -8.724 4.383 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.980 -7.073 4.803 1.00 0.00 H new ATOM 0 HD2 ARG A 33 11.555 -7.638 7.087 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.484 -9.354 6.737 1.00 0.00 H new ATOM 0 HE ARG A 33 13.865 -7.782 7.271 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.626 -10.588 5.507 1.00 0.00 H new ATOM 0 HH12 ARG A 33 14.192 -11.405 5.481 1.00 0.00 H new ATOM 0 HH21 ARG A 33 15.869 -8.842 7.227 1.00 0.00 H new ATOM 0 HH22 ARG A 33 16.018 -10.421 6.450 1.00 0.00 H new ATOM 547 N ILE A 34 8.347 -8.966 1.504 1.00 0.00 N ATOM 548 CA ILE A 34 6.978 -8.923 1.009 1.00 0.00 C ATOM 549 C ILE A 34 6.718 -10.045 0.010 1.00 0.00 C ATOM 550 O ILE A 34 7.282 -10.056 -1.085 1.00 0.00 O ATOM 551 CB ILE A 34 6.666 -7.570 0.338 1.00 0.00 C ATOM 552 CG1 ILE A 34 7.089 -6.413 1.246 1.00 0.00 C ATOM 553 CG2 ILE A 34 5.185 -7.475 0.002 1.00 0.00 C ATOM 554 CD1 ILE A 34 8.427 -5.814 0.876 1.00 0.00 C ATOM 0 H ILE A 34 9.047 -9.175 0.792 1.00 0.00 H new ATOM 0 HA ILE A 34 6.325 -9.052 1.873 1.00 0.00 H new ATOM 0 HB ILE A 34 7.234 -7.502 -0.590 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.328 -5.634 1.207 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.131 -6.767 2.276 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.980 -6.515 -0.471 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.914 -8.281 -0.680 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.598 -7.562 0.916 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.663 -5.000 1.561 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.200 -6.580 0.943 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.384 -5.430 -0.143 1.00 0.00 H new ATOM 566 N ASN A 35 5.862 -10.986 0.393 1.00 0.00 N ATOM 567 CA ASN A 35 5.529 -12.114 -0.472 1.00 0.00 C ATOM 568 C ASN A 35 4.069 -12.048 -0.915 1.00 0.00 C ATOM 569 O ASN A 35 3.773 -12.044 -2.109 1.00 0.00 O ATOM 570 CB ASN A 35 5.802 -13.440 0.244 1.00 0.00 C ATOM 571 CG ASN A 35 5.345 -13.426 1.690 1.00 0.00 C ATOM 572 OD1 ASN A 35 5.723 -12.547 2.464 1.00 0.00 O ATOM 573 ND2 ASN A 35 4.528 -14.405 2.062 1.00 0.00 N ATOM 0 H ASN A 35 5.386 -10.991 1.295 1.00 0.00 H new ATOM 0 HA ASN A 35 6.161 -12.056 -1.358 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.295 -14.246 -0.286 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.870 -13.656 0.206 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.189 -14.449 3.023 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.240 -15.113 1.387 1.00 0.00 H new ATOM 580 N GLN A 36 3.163 -11.992 0.056 1.00 0.00 N ATOM 581 CA GLN A 36 1.735 -11.924 -0.235 1.00 0.00 C ATOM 582 C GLN A 36 1.095 -10.735 0.471 1.00 0.00 C ATOM 583 O GLN A 36 1.077 -10.666 1.699 1.00 0.00 O ATOM 584 CB GLN A 36 1.040 -13.217 0.194 1.00 0.00 C ATOM 585 CG GLN A 36 -0.387 -13.340 -0.321 1.00 0.00 C ATOM 586 CD GLN A 36 -0.538 -14.427 -1.367 1.00 0.00 C ATOM 587 OE1 GLN A 36 0.050 -15.502 -1.252 1.00 0.00 O ATOM 588 NE2 GLN A 36 -1.328 -14.150 -2.398 1.00 0.00 N ATOM 0 H GLN A 36 3.392 -11.992 1.050 1.00 0.00 H new ATOM 0 HA GLN A 36 1.616 -11.797 -1.311 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.621 -14.068 -0.162 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.031 -13.271 1.283 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.054 -13.550 0.515 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.699 -12.386 -0.746 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.796 -13.246 -2.453 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.467 -14.842 -3.135 1.00 0.00 H new ATOM 597 N VAL A 37 0.573 -9.796 -0.313 1.00 0.00 N ATOM 598 CA VAL A 37 -0.063 -8.609 0.242 1.00 0.00 C ATOM 599 C VAL A 37 -1.508 -8.482 -0.226 1.00 0.00 C ATOM 600 O VAL A 37 -1.802 -8.634 -1.413 1.00 0.00 O ATOM 601 CB VAL A 37 0.695 -7.329 -0.155 1.00 0.00 C ATOM 602 CG1 VAL A 37 0.157 -6.127 0.610 1.00 0.00 C ATOM 603 CG2 VAL A 37 2.189 -7.495 0.077 1.00 0.00 C ATOM 0 H VAL A 37 0.579 -9.835 -1.332 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.041 -8.723 1.326 1.00 0.00 H new ATOM 0 HB VAL A 37 0.536 -7.153 -1.219 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.706 -5.233 0.315 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.901 -5.995 0.383 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.280 -6.292 1.680 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.706 -6.579 -0.210 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.373 -7.700 1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.561 -8.325 -0.524 1.00 0.00 H new ATOM 613 N TYR A 38 -2.403 -8.190 0.711 1.00 0.00 N ATOM 614 CA TYR A 38 -3.816 -8.025 0.392 1.00 0.00 C ATOM 615 C TYR A 38 -4.342 -6.711 0.960 1.00 0.00 C ATOM 616 O TYR A 38 -4.203 -6.434 2.152 1.00 0.00 O ATOM 617 CB TYR A 38 -4.640 -9.208 0.913 1.00 0.00 C ATOM 618 CG TYR A 38 -4.134 -9.803 2.209 1.00 0.00 C ATOM 619 CD1 TYR A 38 -2.923 -10.485 2.259 1.00 0.00 C ATOM 620 CD2 TYR A 38 -4.872 -9.693 3.381 1.00 0.00 C ATOM 621 CE1 TYR A 38 -2.464 -11.038 3.438 1.00 0.00 C ATOM 622 CE2 TYR A 38 -4.418 -10.243 4.564 1.00 0.00 C ATOM 623 CZ TYR A 38 -3.214 -10.913 4.588 1.00 0.00 C ATOM 624 OH TYR A 38 -2.759 -11.462 5.765 1.00 0.00 O ATOM 0 H TYR A 38 -2.175 -8.063 1.697 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.917 -7.998 -0.693 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.670 -8.882 1.055 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.655 -9.988 0.151 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.332 -10.584 1.361 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.816 -9.169 3.367 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.522 -11.566 3.459 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.004 -10.148 5.466 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.920 -11.941 5.600 1.00 0.00 H new ATOM 634 N VAL A 39 -4.934 -5.899 0.091 1.00 0.00 N ATOM 635 CA VAL A 39 -5.471 -4.602 0.491 1.00 0.00 C ATOM 636 C VAL A 39 -6.958 -4.490 0.173 1.00 0.00 C ATOM 637 O VAL A 39 -7.435 -5.043 -0.820 1.00 0.00 O ATOM 638 CB VAL A 39 -4.721 -3.447 -0.205 1.00 0.00 C ATOM 639 CG1 VAL A 39 -5.050 -2.116 0.455 1.00 0.00 C ATOM 640 CG2 VAL A 39 -3.219 -3.695 -0.193 1.00 0.00 C ATOM 0 H VAL A 39 -5.055 -6.116 -0.898 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.331 -4.525 1.569 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.052 -3.404 -1.243 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.511 -1.316 -0.051 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.122 -1.931 0.386 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.753 -2.147 1.503 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.710 -2.869 -0.689 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.871 -3.770 0.837 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.999 -4.624 -0.719 1.00 0.00 H new ATOM 650 N VAL A 40 -7.683 -3.765 1.017 1.00 0.00 N ATOM 651 CA VAL A 40 -9.115 -3.569 0.827 1.00 0.00 C ATOM 652 C VAL A 40 -9.520 -2.155 1.203 1.00 0.00 C ATOM 653 O VAL A 40 -9.102 -1.624 2.232 1.00 0.00 O ATOM 654 CB VAL A 40 -9.942 -4.570 1.656 1.00 0.00 C ATOM 655 CG1 VAL A 40 -11.414 -4.482 1.287 1.00 0.00 C ATOM 656 CG2 VAL A 40 -9.419 -5.985 1.463 1.00 0.00 C ATOM 0 H VAL A 40 -7.301 -3.302 1.842 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.321 -3.739 -0.230 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.840 -4.311 2.710 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.982 -5.196 1.883 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.779 -3.474 1.484 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.538 -4.712 0.229 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.016 -6.678 2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.487 -6.258 0.410 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.379 -6.035 1.784 1.00 0.00 H new ATOM 666 N LEU A 41 -10.323 -1.543 0.345 1.00 0.00 N ATOM 667 CA LEU A 41 -10.776 -0.179 0.558 1.00 0.00 C ATOM 668 C LEU A 41 -12.285 -0.048 0.375 1.00 0.00 C ATOM 669 O LEU A 41 -12.844 -0.483 -0.632 1.00 0.00 O ATOM 670 CB LEU A 41 -10.034 0.771 -0.390 1.00 0.00 C ATOM 671 CG LEU A 41 -9.659 0.181 -1.757 1.00 0.00 C ATOM 672 CD1 LEU A 41 -8.627 -0.926 -1.606 1.00 0.00 C ATOM 673 CD2 LEU A 41 -10.894 -0.327 -2.486 1.00 0.00 C ATOM 0 H LEU A 41 -10.675 -1.974 -0.510 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.551 0.093 1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.655 1.652 -0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.122 1.109 0.103 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.216 0.976 -2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.378 -1.328 -2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.728 -0.524 -1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.035 -1.721 -0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.602 -0.740 -3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.375 -1.102 -1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.591 0.497 -2.639 1.00 0.00 H new ATOM 685 N LYS A 42 -12.938 0.561 1.359 1.00 0.00 N ATOM 686 CA LYS A 42 -14.381 0.762 1.311 1.00 0.00 C ATOM 687 C LYS A 42 -14.706 2.233 1.077 1.00 0.00 C ATOM 688 O LYS A 42 -14.089 3.119 1.670 1.00 0.00 O ATOM 689 CB LYS A 42 -15.030 0.275 2.610 1.00 0.00 C ATOM 690 CG LYS A 42 -16.526 0.538 2.684 1.00 0.00 C ATOM 691 CD LYS A 42 -17.069 0.285 4.082 1.00 0.00 C ATOM 692 CE LYS A 42 -16.403 1.183 5.110 1.00 0.00 C ATOM 693 NZ LYS A 42 -17.122 1.163 6.414 1.00 0.00 N ATOM 0 H LYS A 42 -12.490 0.924 2.200 1.00 0.00 H new ATOM 0 HA LYS A 42 -14.784 0.181 0.481 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.853 -0.795 2.715 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.542 0.763 3.454 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -16.730 1.569 2.395 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -17.045 -0.102 1.970 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -18.145 0.456 4.092 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.909 -0.759 4.352 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.372 0.862 5.259 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.367 2.204 4.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.528 1.603 7.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -18.013 1.692 6.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -17.328 0.179 6.682 1.00 0.00 H new ATOM 707 N VAL A 43 -15.676 2.485 0.204 1.00 0.00 N ATOM 708 CA VAL A 43 -16.081 3.847 -0.115 1.00 0.00 C ATOM 709 C VAL A 43 -17.533 4.097 0.275 1.00 0.00 C ATOM 710 O VAL A 43 -18.448 3.469 -0.258 1.00 0.00 O ATOM 711 CB VAL A 43 -15.907 4.148 -1.615 1.00 0.00 C ATOM 712 CG1 VAL A 43 -16.153 5.621 -1.899 1.00 0.00 C ATOM 713 CG2 VAL A 43 -14.523 3.729 -2.086 1.00 0.00 C ATOM 0 H VAL A 43 -16.196 1.763 -0.295 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.434 4.510 0.460 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.645 3.569 -2.170 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -16.025 5.812 -2.964 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -17.168 5.884 -1.602 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.442 6.224 -1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -14.418 3.949 -3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -13.766 4.278 -1.525 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.391 2.659 -1.922 1.00 0.00 H new ATOM 723 N GLU A 44 -17.737 5.020 1.209 1.00 0.00 N ATOM 724 CA GLU A 44 -19.076 5.360 1.671 1.00 0.00 C ATOM 725 C GLU A 44 -19.233 6.870 1.801 1.00 0.00 C ATOM 726 O GLU A 44 -18.256 7.591 2.012 1.00 0.00 O ATOM 727 CB GLU A 44 -19.372 4.680 3.010 1.00 0.00 C ATOM 728 CG GLU A 44 -18.214 4.734 3.990 1.00 0.00 C ATOM 729 CD GLU A 44 -18.524 4.032 5.297 1.00 0.00 C ATOM 730 OE1 GLU A 44 -19.227 2.999 5.266 1.00 0.00 O ATOM 731 OE2 GLU A 44 -18.063 4.513 6.354 1.00 0.00 O ATOM 0 H GLU A 44 -16.990 5.547 1.661 1.00 0.00 H new ATOM 0 HA GLU A 44 -19.792 5.000 0.932 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -20.243 5.154 3.463 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -19.634 3.638 2.828 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -17.336 4.276 3.535 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -17.962 5.775 4.192 1.00 0.00 H new ATOM 738 N LYS A 45 -20.466 7.343 1.663 1.00 0.00 N ATOM 739 CA LYS A 45 -20.761 8.770 1.754 1.00 0.00 C ATOM 740 C LYS A 45 -20.230 9.387 3.050 1.00 0.00 C ATOM 741 O LYS A 45 -20.109 10.608 3.153 1.00 0.00 O ATOM 742 CB LYS A 45 -22.269 9.003 1.653 1.00 0.00 C ATOM 743 CG LYS A 45 -22.646 10.447 1.366 1.00 0.00 C ATOM 744 CD LYS A 45 -24.012 10.789 1.938 1.00 0.00 C ATOM 745 CE LYS A 45 -24.150 12.281 2.194 1.00 0.00 C ATOM 746 NZ LYS A 45 -24.447 13.035 0.944 1.00 0.00 N ATOM 0 H LYS A 45 -21.282 6.757 1.487 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.255 9.259 0.922 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.674 8.368 0.865 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.739 8.693 2.586 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -21.895 11.112 1.792 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -22.648 10.617 0.289 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -24.789 10.464 1.246 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -24.165 10.243 2.869 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -24.946 12.453 2.919 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -23.229 12.660 2.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -24.533 14.048 1.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -23.676 12.892 0.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -25.339 12.692 0.535 1.00 0.00 H new ATOM 760 N VAL A 46 -19.920 8.550 4.039 1.00 0.00 N ATOM 761 CA VAL A 46 -19.412 9.049 5.318 1.00 0.00 C ATOM 762 C VAL A 46 -17.884 9.138 5.327 1.00 0.00 C ATOM 763 O VAL A 46 -17.319 10.197 5.050 1.00 0.00 O ATOM 764 CB VAL A 46 -19.883 8.189 6.517 1.00 0.00 C ATOM 765 CG1 VAL A 46 -21.115 8.804 7.160 1.00 0.00 C ATOM 766 CG2 VAL A 46 -20.161 6.754 6.095 1.00 0.00 C ATOM 0 H VAL A 46 -20.010 7.536 3.982 1.00 0.00 H new ATOM 0 HA VAL A 46 -19.827 10.051 5.430 1.00 0.00 H new ATOM 0 HB VAL A 46 -19.078 8.169 7.251 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -21.433 8.187 8.001 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -20.878 9.807 7.515 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -21.919 8.859 6.426 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -20.489 6.178 6.960 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -20.941 6.743 5.334 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -19.252 6.312 5.688 1.00 0.00 H new ATOM 776 N THR A 47 -17.218 8.031 5.652 1.00 0.00 N ATOM 777 CA THR A 47 -15.758 8.006 5.701 1.00 0.00 C ATOM 778 C THR A 47 -15.192 6.842 4.891 1.00 0.00 C ATOM 779 O THR A 47 -15.848 5.818 4.716 1.00 0.00 O ATOM 780 CB THR A 47 -15.279 7.912 7.150 1.00 0.00 C ATOM 781 OG1 THR A 47 -15.815 8.970 7.925 1.00 0.00 O ATOM 782 CG2 THR A 47 -13.773 7.960 7.287 1.00 0.00 C ATOM 0 H THR A 47 -17.664 7.144 5.884 1.00 0.00 H new ATOM 0 HA THR A 47 -15.395 8.934 5.260 1.00 0.00 H new ATOM 0 HB THR A 47 -15.629 6.944 7.507 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.498 8.891 8.849 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.501 7.889 8.340 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.331 7.127 6.741 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.400 8.899 6.879 1.00 0.00 H new ATOM 790 N HIS A 48 -13.963 7.003 4.413 1.00 0.00 N ATOM 791 CA HIS A 48 -13.302 5.963 3.632 1.00 0.00 C ATOM 792 C HIS A 48 -12.406 5.111 4.524 1.00 0.00 C ATOM 793 O HIS A 48 -11.737 5.627 5.420 1.00 0.00 O ATOM 794 CB HIS A 48 -12.477 6.586 2.504 1.00 0.00 C ATOM 795 CG HIS A 48 -13.297 7.365 1.524 1.00 0.00 C ATOM 796 ND1 HIS A 48 -14.206 8.351 1.714 1.00 0.00 N flip ATOM 797 CD2 HIS A 48 -13.229 7.167 0.160 1.00 0.00 C flip ATOM 798 CE1 HIS A 48 -14.666 8.725 0.475 1.00 0.00 C flip ATOM 799 NE2 HIS A 48 -14.061 7.996 -0.444 1.00 0.00 N flip ATOM 0 H HIS A 48 -13.404 7.844 4.553 1.00 0.00 H new ATOM 0 HA HIS A 48 -14.069 5.324 3.196 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.722 7.242 2.937 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -11.946 5.795 1.974 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -12.595 6.447 -0.336 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -15.403 9.491 0.284 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -14.211 8.062 -1.451 1.00 0.00 H new ATOM 808 N THR A 49 -12.400 3.803 4.282 1.00 0.00 N ATOM 809 CA THR A 49 -11.586 2.887 5.074 1.00 0.00 C ATOM 810 C THR A 49 -10.720 1.999 4.186 1.00 0.00 C ATOM 811 O THR A 49 -11.206 1.401 3.225 1.00 0.00 O ATOM 812 CB THR A 49 -12.479 2.020 5.961 1.00 0.00 C ATOM 813 OG1 THR A 49 -13.310 2.826 6.778 1.00 0.00 O ATOM 814 CG2 THR A 49 -11.701 1.094 6.872 1.00 0.00 C ATOM 0 H THR A 49 -12.947 3.355 3.547 1.00 0.00 H new ATOM 0 HA THR A 49 -10.925 3.487 5.700 1.00 0.00 H new ATOM 0 HB THR A 49 -13.069 1.415 5.272 1.00 0.00 H new ATOM 0 HG1 THR A 49 -13.875 2.252 7.337 1.00 0.00 H new ATOM 0 HG21 THR A 49 -12.395 0.508 7.474 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.087 0.424 6.271 1.00 0.00 H new ATOM 0 HG23 THR A 49 -11.060 1.683 7.528 1.00 0.00 H new ATOM 822 N SER A 50 -9.437 1.912 4.522 1.00 0.00 N ATOM 823 CA SER A 50 -8.495 1.092 3.765 1.00 0.00 C ATOM 824 C SER A 50 -7.630 0.262 4.707 1.00 0.00 C ATOM 825 O SER A 50 -7.250 0.724 5.783 1.00 0.00 O ATOM 826 CB SER A 50 -7.608 1.975 2.885 1.00 0.00 C ATOM 827 OG SER A 50 -6.836 2.867 3.669 1.00 0.00 O ATOM 0 H SER A 50 -9.024 2.401 5.316 1.00 0.00 H new ATOM 0 HA SER A 50 -9.066 0.417 3.127 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.948 1.349 2.285 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.229 2.541 2.190 1.00 0.00 H new ATOM 0 HG SER A 50 -7.251 2.971 4.551 1.00 0.00 H new ATOM 833 N ASP A 51 -7.320 -0.965 4.300 1.00 0.00 N ATOM 834 CA ASP A 51 -6.497 -1.855 5.112 1.00 0.00 C ATOM 835 C ASP A 51 -5.412 -2.511 4.266 1.00 0.00 C ATOM 836 O ASP A 51 -5.599 -2.737 3.070 1.00 0.00 O ATOM 837 CB ASP A 51 -7.369 -2.927 5.773 1.00 0.00 C ATOM 838 CG ASP A 51 -8.012 -3.861 4.766 1.00 0.00 C ATOM 839 OD1 ASP A 51 -7.278 -4.452 3.946 1.00 0.00 O ATOM 840 OD2 ASP A 51 -9.252 -4.005 4.800 1.00 0.00 O ATOM 0 H ASP A 51 -7.626 -1.366 3.413 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.016 -1.261 5.889 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.760 -3.509 6.465 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.148 -2.443 6.363 1.00 0.00 H new ATOM 845 N ALA A 52 -4.276 -2.815 4.888 1.00 0.00 N ATOM 846 CA ALA A 52 -3.169 -3.444 4.177 1.00 0.00 C ATOM 847 C ALA A 52 -2.377 -4.381 5.083 1.00 0.00 C ATOM 848 O ALA A 52 -1.688 -3.941 6.006 1.00 0.00 O ATOM 849 CB ALA A 52 -2.254 -2.387 3.581 1.00 0.00 C ATOM 0 H ALA A 52 -4.099 -2.637 5.877 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.593 -4.043 3.371 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.433 -2.872 3.054 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.819 -1.769 2.883 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.854 -1.761 4.378 1.00 0.00 H new ATOM 855 N THR A 53 -2.485 -5.675 4.808 1.00 0.00 N ATOM 856 CA THR A 53 -1.782 -6.688 5.588 1.00 0.00 C ATOM 857 C THR A 53 -0.563 -7.204 4.829 1.00 0.00 C ATOM 858 O THR A 53 -0.696 -7.867 3.800 1.00 0.00 O ATOM 859 CB THR A 53 -2.719 -7.851 5.916 1.00 0.00 C ATOM 860 OG1 THR A 53 -4.029 -7.380 6.181 1.00 0.00 O ATOM 861 CG2 THR A 53 -2.270 -8.663 7.111 1.00 0.00 C ATOM 0 H THR A 53 -3.054 -6.049 4.049 1.00 0.00 H new ATOM 0 HA THR A 53 -1.446 -6.228 6.517 1.00 0.00 H new ATOM 0 HB THR A 53 -2.702 -8.493 5.036 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.981 -6.484 6.574 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.979 -9.472 7.289 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.283 -9.082 6.916 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.224 -8.021 7.991 1.00 0.00 H new ATOM 869 N LEU A 54 0.624 -6.889 5.335 1.00 0.00 N ATOM 870 CA LEU A 54 1.865 -7.315 4.699 1.00 0.00 C ATOM 871 C LEU A 54 2.453 -8.537 5.399 1.00 0.00 C ATOM 872 O LEU A 54 2.340 -8.684 6.616 1.00 0.00 O ATOM 873 CB LEU A 54 2.883 -6.173 4.701 1.00 0.00 C ATOM 874 CG LEU A 54 2.709 -5.146 3.581 1.00 0.00 C ATOM 875 CD1 LEU A 54 1.714 -4.072 3.992 1.00 0.00 C ATOM 876 CD2 LEU A 54 4.049 -4.527 3.215 1.00 0.00 C ATOM 0 H LEU A 54 0.753 -6.340 6.185 1.00 0.00 H new ATOM 0 HA LEU A 54 1.636 -7.588 3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.824 -5.656 5.659 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.884 -6.599 4.630 1.00 0.00 H new ATOM 0 HG LEU A 54 2.316 -5.656 2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.603 -3.350 3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.749 -4.532 4.203 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.076 -3.563 4.885 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.907 -3.799 2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.471 -4.030 4.089 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.730 -5.308 2.877 1.00 0.00 H new ATOM 888 N HIS A 55 3.086 -9.407 4.616 1.00 0.00 N ATOM 889 CA HIS A 55 3.700 -10.615 5.153 1.00 0.00 C ATOM 890 C HIS A 55 5.218 -10.475 5.201 1.00 0.00 C ATOM 891 O HIS A 55 5.837 -9.998 4.249 1.00 0.00 O ATOM 892 CB HIS A 55 3.314 -11.828 4.304 1.00 0.00 C ATOM 893 CG HIS A 55 1.998 -12.432 4.688 1.00 0.00 C ATOM 894 ND1 HIS A 55 1.888 -13.609 5.399 1.00 0.00 N ATOM 895 CD2 HIS A 55 0.731 -12.014 4.456 1.00 0.00 C ATOM 896 CE1 HIS A 55 0.610 -13.888 5.586 1.00 0.00 C ATOM 897 NE2 HIS A 55 -0.113 -12.937 5.025 1.00 0.00 N ATOM 0 H HIS A 55 3.186 -9.296 3.607 1.00 0.00 H new ATOM 0 HA HIS A 55 3.333 -10.761 6.169 1.00 0.00 H new ATOM 0 HB2 HIS A 55 3.276 -11.531 3.256 1.00 0.00 H new ATOM 0 HB3 HIS A 55 4.092 -12.586 4.393 1.00 0.00 H new ATOM 0 HD1 HIS A 55 2.670 -14.175 5.729 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.438 -11.121 3.923 1.00 0.00 H new ATOM 0 HE1 HIS A 55 0.222 -14.749 6.110 1.00 0.00 H new ATOM 906 N VAL A 56 5.816 -10.896 6.313 1.00 0.00 N ATOM 907 CA VAL A 56 7.263 -10.816 6.476 1.00 0.00 C ATOM 908 C VAL A 56 7.809 -12.052 7.187 1.00 0.00 C ATOM 909 O VAL A 56 7.473 -12.313 8.341 1.00 0.00 O ATOM 910 CB VAL A 56 7.669 -9.563 7.277 1.00 0.00 C ATOM 911 CG1 VAL A 56 7.370 -8.300 6.486 1.00 0.00 C ATOM 912 CG2 VAL A 56 6.960 -9.541 8.624 1.00 0.00 C ATOM 0 H VAL A 56 5.322 -11.295 7.111 1.00 0.00 H new ATOM 0 HA VAL A 56 7.689 -10.757 5.474 1.00 0.00 H new ATOM 0 HB VAL A 56 8.743 -9.601 7.457 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.664 -7.427 7.069 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.929 -8.316 5.550 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.303 -8.250 6.271 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.257 -8.650 9.177 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.881 -9.528 8.467 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.233 -10.430 9.193 1.00 0.00 H new ATOM 922 N ASN A 57 8.662 -12.801 6.489 1.00 0.00 N ATOM 923 CA ASN A 57 9.274 -14.012 7.040 1.00 0.00 C ATOM 924 C ASN A 57 8.277 -14.825 7.877 1.00 0.00 C ATOM 925 O ASN A 57 7.525 -15.636 7.338 1.00 0.00 O ATOM 926 CB ASN A 57 10.505 -13.648 7.876 1.00 0.00 C ATOM 927 CG ASN A 57 11.748 -13.471 7.027 1.00 0.00 C ATOM 928 OD1 ASN A 57 11.874 -12.497 6.285 1.00 0.00 O ATOM 929 ND2 ASN A 57 12.677 -14.415 7.134 1.00 0.00 N ATOM 0 H ASN A 57 8.947 -12.589 5.533 1.00 0.00 H new ATOM 0 HA ASN A 57 9.583 -14.638 6.203 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.309 -12.727 8.425 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.682 -14.428 8.616 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.536 -14.349 6.588 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.531 -15.206 7.762 1.00 0.00 H new ATOM 936 N GLY A 58 8.280 -14.609 9.193 1.00 0.00 N ATOM 937 CA GLY A 58 7.375 -15.336 10.067 1.00 0.00 C ATOM 938 C GLY A 58 6.464 -14.415 10.856 1.00 0.00 C ATOM 939 O GLY A 58 6.100 -14.715 11.994 1.00 0.00 O ATOM 0 H GLY A 58 8.892 -13.945 9.667 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.769 -16.018 9.471 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.955 -15.947 10.758 1.00 0.00 H new ATOM 943 N GLY A 59 6.094 -13.293 10.251 1.00 0.00 N ATOM 944 CA GLY A 59 5.222 -12.342 10.911 1.00 0.00 C ATOM 945 C GLY A 59 4.239 -11.703 9.950 1.00 0.00 C ATOM 946 O GLY A 59 4.469 -11.687 8.741 1.00 0.00 O ATOM 0 H GLY A 59 6.384 -13.025 9.311 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.674 -12.846 11.707 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.825 -11.565 11.382 1.00 0.00 H new ATOM 950 N GLU A 60 3.142 -11.179 10.485 1.00 0.00 N ATOM 951 CA GLU A 60 2.126 -10.543 9.656 1.00 0.00 C ATOM 952 C GLU A 60 1.614 -9.258 10.299 1.00 0.00 C ATOM 953 O GLU A 60 1.052 -9.280 11.394 1.00 0.00 O ATOM 954 CB GLU A 60 0.961 -11.504 9.416 1.00 0.00 C ATOM 955 CG GLU A 60 1.352 -12.752 8.641 1.00 0.00 C ATOM 956 CD GLU A 60 1.507 -13.968 9.533 1.00 0.00 C ATOM 957 OE1 GLU A 60 0.492 -14.419 10.105 1.00 0.00 O ATOM 958 OE2 GLU A 60 2.643 -14.470 9.660 1.00 0.00 O ATOM 0 H GLU A 60 2.934 -11.182 11.484 1.00 0.00 H new ATOM 0 HA GLU A 60 2.585 -10.288 8.701 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.541 -11.800 10.377 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.175 -10.980 8.872 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.596 -12.956 7.883 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.289 -12.570 8.115 1.00 0.00 H new ATOM 965 N ILE A 61 1.805 -8.143 9.604 1.00 0.00 N ATOM 966 CA ILE A 61 1.354 -6.846 10.097 1.00 0.00 C ATOM 967 C ILE A 61 0.071 -6.425 9.394 1.00 0.00 C ATOM 968 O ILE A 61 -0.093 -6.658 8.197 1.00 0.00 O ATOM 969 CB ILE A 61 2.424 -5.754 9.886 1.00 0.00 C ATOM 970 CG1 ILE A 61 3.817 -6.289 10.234 1.00 0.00 C ATOM 971 CG2 ILE A 61 2.095 -4.526 10.723 1.00 0.00 C ATOM 972 CD1 ILE A 61 4.741 -6.381 9.038 1.00 0.00 C ATOM 0 H ILE A 61 2.269 -8.110 8.696 1.00 0.00 H new ATOM 0 HA ILE A 61 1.172 -6.955 11.166 1.00 0.00 H new ATOM 0 HB ILE A 61 2.424 -5.466 8.835 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.270 -5.641 10.985 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.717 -7.277 10.684 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.857 -3.763 10.565 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.122 -4.134 10.427 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.069 -4.801 11.778 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.710 -6.767 9.355 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.309 -7.052 8.295 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.870 -5.391 8.601 1.00 0.00 H new ATOM 984 N HIS A 62 -0.839 -5.805 10.138 1.00 0.00 N ATOM 985 CA HIS A 62 -2.106 -5.359 9.571 1.00 0.00 C ATOM 986 C HIS A 62 -2.415 -3.922 9.979 1.00 0.00 C ATOM 987 O HIS A 62 -2.680 -3.644 11.148 1.00 0.00 O ATOM 988 CB HIS A 62 -3.240 -6.283 10.018 1.00 0.00 C ATOM 989 CG HIS A 62 -4.468 -6.180 9.170 1.00 0.00 C ATOM 990 ND1 HIS A 62 -4.707 -5.477 8.037 1.00 0.00 N flip ATOM 991 CD2 HIS A 62 -5.638 -6.853 9.453 1.00 0.00 C flip ATOM 992 CE1 HIS A 62 -6.002 -5.738 7.661 1.00 0.00 C flip ATOM 993 NE2 HIS A 62 -6.542 -6.570 8.533 1.00 0.00 N flip ATOM 0 H HIS A 62 -0.724 -5.601 11.131 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.020 -5.396 8.485 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.885 -7.313 10.004 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.501 -6.050 11.050 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -5.791 -7.510 10.297 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -6.498 -5.329 6.793 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -7.495 -6.932 8.501 1.00 0.00 H new ATOM 1002 N ALA A 63 -2.388 -3.014 9.009 1.00 0.00 N ATOM 1003 CA ALA A 63 -2.674 -1.610 9.273 1.00 0.00 C ATOM 1004 C ALA A 63 -3.820 -1.116 8.397 1.00 0.00 C ATOM 1005 O ALA A 63 -3.997 -1.586 7.273 1.00 0.00 O ATOM 1006 CB ALA A 63 -1.430 -0.764 9.045 1.00 0.00 C ATOM 0 H ALA A 63 -2.171 -3.225 8.035 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.976 -1.514 10.316 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.660 0.282 9.246 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.636 -1.096 9.714 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -1.102 -0.871 8.011 1.00 0.00 H new ATOM 1012 N SER A 64 -4.592 -0.163 8.909 1.00 0.00 N ATOM 1013 CA SER A 64 -5.714 0.397 8.166 1.00 0.00 C ATOM 1014 C SER A 64 -5.819 1.898 8.410 1.00 0.00 C ATOM 1015 O SER A 64 -5.859 2.346 9.556 1.00 0.00 O ATOM 1016 CB SER A 64 -7.018 -0.294 8.571 1.00 0.00 C ATOM 1017 OG SER A 64 -6.988 -1.673 8.247 1.00 0.00 O ATOM 0 H SER A 64 -4.460 0.238 9.838 1.00 0.00 H new ATOM 0 HA SER A 64 -5.542 0.228 7.103 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.180 -0.173 9.642 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.858 0.183 8.066 1.00 0.00 H new ATOM 0 HG SER A 64 -7.832 -2.091 8.518 1.00 0.00 H new ATOM 1023 N ALA A 65 -5.858 2.676 7.332 1.00 0.00 N ATOM 1024 CA ALA A 65 -5.952 4.126 7.447 1.00 0.00 C ATOM 1025 C ALA A 65 -7.186 4.662 6.731 1.00 0.00 C ATOM 1026 O ALA A 65 -7.805 3.965 5.926 1.00 0.00 O ATOM 1027 CB ALA A 65 -4.697 4.782 6.893 1.00 0.00 C ATOM 0 H ALA A 65 -5.826 2.328 6.374 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.045 4.371 8.505 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.781 5.865 6.985 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.828 4.437 7.453 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.581 4.516 5.842 1.00 0.00 H new ATOM 1033 N GLU A 66 -7.535 5.909 7.029 1.00 0.00 N ATOM 1034 CA GLU A 66 -8.692 6.551 6.417 1.00 0.00 C ATOM 1035 C GLU A 66 -8.272 7.829 5.697 1.00 0.00 C ATOM 1036 O GLU A 66 -7.327 8.502 6.108 1.00 0.00 O ATOM 1037 CB GLU A 66 -9.746 6.871 7.478 1.00 0.00 C ATOM 1038 CG GLU A 66 -9.219 7.722 8.623 1.00 0.00 C ATOM 1039 CD GLU A 66 -9.820 9.115 8.640 1.00 0.00 C ATOM 1040 OE1 GLU A 66 -9.728 9.813 7.610 1.00 0.00 O ATOM 1041 OE2 GLU A 66 -10.381 9.507 9.685 1.00 0.00 O ATOM 0 H GLU A 66 -7.031 6.497 7.693 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.123 5.863 5.689 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.580 7.390 7.005 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.139 5.938 7.881 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.435 7.226 9.569 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.135 7.799 8.544 1.00 0.00 H new ATOM 1048 N GLY A 67 -8.980 8.158 4.621 1.00 0.00 N ATOM 1049 CA GLY A 67 -8.657 9.353 3.865 1.00 0.00 C ATOM 1050 C GLY A 67 -9.874 9.983 3.220 1.00 0.00 C ATOM 1051 O GLY A 67 -10.880 9.315 2.988 1.00 0.00 O ATOM 0 H GLY A 67 -9.768 7.620 4.261 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.184 10.079 4.526 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.929 9.104 3.093 1.00 0.00 H new ATOM 1055 N GLN A 68 -9.780 11.278 2.931 1.00 0.00 N ATOM 1056 CA GLN A 68 -10.878 12.010 2.310 1.00 0.00 C ATOM 1057 C GLN A 68 -11.303 11.371 0.988 1.00 0.00 C ATOM 1058 O GLN A 68 -12.395 11.642 0.486 1.00 0.00 O ATOM 1059 CB GLN A 68 -10.473 13.467 2.078 1.00 0.00 C ATOM 1060 CG GLN A 68 -11.624 14.358 1.639 1.00 0.00 C ATOM 1061 CD GLN A 68 -12.531 14.745 2.791 1.00 0.00 C ATOM 1062 OE1 GLN A 68 -13.538 14.087 3.052 1.00 0.00 O ATOM 1063 NE2 GLN A 68 -12.177 15.821 3.487 1.00 0.00 N ATOM 0 H GLN A 68 -8.952 11.843 3.118 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.729 11.973 2.990 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.046 13.867 2.997 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.689 13.501 1.321 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.225 15.260 1.176 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.209 13.842 0.878 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.334 16.337 3.235 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.749 16.131 4.273 1.00 0.00 H new ATOM 1072 N ASP A 69 -10.446 10.524 0.426 1.00 0.00 N ATOM 1073 CA ASP A 69 -10.751 9.855 -0.834 1.00 0.00 C ATOM 1074 C ASP A 69 -10.051 8.502 -0.913 1.00 0.00 C ATOM 1075 O ASP A 69 -9.246 8.157 -0.048 1.00 0.00 O ATOM 1076 CB ASP A 69 -10.335 10.730 -2.019 1.00 0.00 C ATOM 1077 CG ASP A 69 -8.983 11.389 -1.810 1.00 0.00 C ATOM 1078 OD1 ASP A 69 -7.957 10.751 -2.124 1.00 0.00 O ATOM 1079 OD2 ASP A 69 -8.953 12.542 -1.332 1.00 0.00 O ATOM 0 H ASP A 69 -9.537 10.285 0.822 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.828 9.691 -0.877 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -10.303 10.121 -2.922 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -11.090 11.500 -2.180 1.00 0.00 H new ATOM 1084 N MET A 70 -10.365 7.737 -1.954 1.00 0.00 N ATOM 1085 CA MET A 70 -9.767 6.420 -2.144 1.00 0.00 C ATOM 1086 C MET A 70 -8.257 6.518 -2.365 1.00 0.00 C ATOM 1087 O MET A 70 -7.536 5.531 -2.219 1.00 0.00 O ATOM 1088 CB MET A 70 -10.418 5.708 -3.331 1.00 0.00 C ATOM 1089 CG MET A 70 -10.012 4.250 -3.459 1.00 0.00 C ATOM 1090 SD MET A 70 -11.310 3.116 -2.931 1.00 0.00 S ATOM 1091 CE MET A 70 -11.354 1.987 -4.322 1.00 0.00 C ATOM 0 H MET A 70 -11.030 8.006 -2.679 1.00 0.00 H new ATOM 0 HA MET A 70 -9.942 5.844 -1.235 1.00 0.00 H new ATOM 0 HB2 MET A 70 -11.502 5.768 -3.231 1.00 0.00 H new ATOM 0 HB3 MET A 70 -10.153 6.233 -4.249 1.00 0.00 H new ATOM 0 HG2 MET A 70 -9.752 4.040 -4.496 1.00 0.00 H new ATOM 0 HG3 MET A 70 -9.116 4.073 -2.863 1.00 0.00 H new ATOM 0 HE1 MET A 70 -12.147 1.255 -4.171 1.00 0.00 H new ATOM 0 HE2 MET A 70 -11.545 2.546 -5.238 1.00 0.00 H new ATOM 0 HE3 MET A 70 -10.396 1.473 -4.404 1.00 0.00 H new ATOM 1101 N TYR A 71 -7.784 7.712 -2.717 1.00 0.00 N ATOM 1102 CA TYR A 71 -6.361 7.929 -2.954 1.00 0.00 C ATOM 1103 C TYR A 71 -5.653 8.352 -1.671 1.00 0.00 C ATOM 1104 O TYR A 71 -4.520 7.948 -1.411 1.00 0.00 O ATOM 1105 CB TYR A 71 -6.159 8.992 -4.036 1.00 0.00 C ATOM 1106 CG TYR A 71 -6.718 8.599 -5.384 1.00 0.00 C ATOM 1107 CD1 TYR A 71 -6.223 7.496 -6.067 1.00 0.00 C ATOM 1108 CD2 TYR A 71 -7.740 9.332 -5.974 1.00 0.00 C ATOM 1109 CE1 TYR A 71 -6.733 7.132 -7.301 1.00 0.00 C ATOM 1110 CE2 TYR A 71 -8.253 8.976 -7.206 1.00 0.00 C ATOM 1111 CZ TYR A 71 -7.746 7.877 -7.865 1.00 0.00 C ATOM 1112 OH TYR A 71 -8.256 7.519 -9.092 1.00 0.00 O ATOM 0 H TYR A 71 -8.365 8.541 -2.844 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.928 6.988 -3.293 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -6.630 9.920 -3.714 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.093 9.195 -4.139 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.427 6.913 -5.628 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.140 10.194 -5.461 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.340 6.270 -7.819 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -9.048 9.556 -7.651 1.00 0.00 H new ATOM 0 HH TYR A 71 -8.964 8.146 -9.347 1.00 0.00 H new ATOM 1122 N ALA A 72 -6.329 9.172 -0.872 1.00 0.00 N ATOM 1123 CA ALA A 72 -5.767 9.652 0.385 1.00 0.00 C ATOM 1124 C ALA A 72 -5.578 8.507 1.375 1.00 0.00 C ATOM 1125 O ALA A 72 -4.529 8.389 2.009 1.00 0.00 O ATOM 1126 CB ALA A 72 -6.658 10.731 0.984 1.00 0.00 C ATOM 0 H ALA A 72 -7.267 9.518 -1.073 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.787 10.081 0.176 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.226 11.080 1.922 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.737 11.566 0.288 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.650 10.321 1.172 1.00 0.00 H new ATOM 1132 N ALA A 73 -6.601 7.666 1.502 1.00 0.00 N ATOM 1133 CA ALA A 73 -6.548 6.531 2.415 1.00 0.00 C ATOM 1134 C ALA A 73 -5.331 5.654 2.135 1.00 0.00 C ATOM 1135 O ALA A 73 -4.745 5.079 3.051 1.00 0.00 O ATOM 1136 CB ALA A 73 -7.825 5.711 2.310 1.00 0.00 C ATOM 0 H ALA A 73 -7.476 7.750 0.984 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.458 6.918 3.430 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.773 4.866 2.997 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.681 6.335 2.567 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.938 5.343 1.290 1.00 0.00 H new ATOM 1142 N ILE A 74 -4.953 5.564 0.865 1.00 0.00 N ATOM 1143 CA ILE A 74 -3.802 4.763 0.468 1.00 0.00 C ATOM 1144 C ILE A 74 -2.500 5.514 0.733 1.00 0.00 C ATOM 1145 O ILE A 74 -1.462 4.906 0.990 1.00 0.00 O ATOM 1146 CB ILE A 74 -3.870 4.370 -1.023 1.00 0.00 C ATOM 1147 CG1 ILE A 74 -5.150 3.582 -1.305 1.00 0.00 C ATOM 1148 CG2 ILE A 74 -2.647 3.555 -1.419 1.00 0.00 C ATOM 1149 CD1 ILE A 74 -5.264 2.307 -0.499 1.00 0.00 C ATOM 0 H ILE A 74 -5.426 6.035 0.094 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.824 3.854 1.069 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.882 5.282 -1.620 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.011 4.215 -1.092 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.190 3.336 -2.366 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.714 3.288 -2.474 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.746 4.145 -1.251 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.604 2.648 -0.817 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.196 1.800 -0.750 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.422 1.654 -0.730 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.257 2.547 0.564 1.00 0.00 H new ATOM 1161 N ASP A 75 -2.564 6.839 0.674 1.00 0.00 N ATOM 1162 CA ASP A 75 -1.389 7.667 0.915 1.00 0.00 C ATOM 1163 C ASP A 75 -0.919 7.522 2.357 1.00 0.00 C ATOM 1164 O ASP A 75 0.240 7.193 2.614 1.00 0.00 O ATOM 1165 CB ASP A 75 -1.699 9.134 0.611 1.00 0.00 C ATOM 1166 CG ASP A 75 -0.446 9.947 0.350 1.00 0.00 C ATOM 1167 OD1 ASP A 75 0.469 9.428 -0.322 1.00 0.00 O ATOM 1168 OD2 ASP A 75 -0.381 11.104 0.817 1.00 0.00 O ATOM 0 H ASP A 75 -3.414 7.361 0.462 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.592 7.331 0.252 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.354 9.192 -0.258 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.243 9.569 1.449 1.00 0.00 H new ATOM 1173 N GLY A 76 -1.827 7.765 3.295 1.00 0.00 N ATOM 1174 CA GLY A 76 -1.490 7.654 4.701 1.00 0.00 C ATOM 1175 C GLY A 76 -1.217 6.223 5.123 1.00 0.00 C ATOM 1176 O GLY A 76 -0.357 5.973 5.968 1.00 0.00 O ATOM 0 H GLY A 76 -2.792 8.037 3.106 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.612 8.265 4.910 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.307 8.056 5.300 1.00 0.00 H new ATOM 1180 N LEU A 77 -1.948 5.282 4.534 1.00 0.00 N ATOM 1181 CA LEU A 77 -1.777 3.870 4.858 1.00 0.00 C ATOM 1182 C LEU A 77 -0.437 3.355 4.340 1.00 0.00 C ATOM 1183 O LEU A 77 0.257 2.608 5.026 1.00 0.00 O ATOM 1184 CB LEU A 77 -2.927 3.044 4.269 1.00 0.00 C ATOM 1185 CG LEU A 77 -3.122 1.647 4.871 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -2.166 0.648 4.238 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -2.944 1.673 6.383 1.00 0.00 C ATOM 0 H LEU A 77 -2.663 5.471 3.831 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.789 3.765 5.943 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.853 3.605 4.393 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.761 2.937 3.197 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.142 1.330 4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.322 -0.336 4.680 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.351 0.597 3.165 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.138 0.966 4.414 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.088 0.670 6.784 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.939 2.020 6.625 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.677 2.348 6.824 1.00 0.00 H new ATOM 1199 N ILE A 78 -0.078 3.759 3.127 1.00 0.00 N ATOM 1200 CA ILE A 78 1.183 3.336 2.526 1.00 0.00 C ATOM 1201 C ILE A 78 2.366 4.080 3.147 1.00 0.00 C ATOM 1202 O ILE A 78 3.513 3.648 3.024 1.00 0.00 O ATOM 1203 CB ILE A 78 1.177 3.559 0.997 1.00 0.00 C ATOM 1204 CG1 ILE A 78 0.138 2.653 0.336 1.00 0.00 C ATOM 1205 CG2 ILE A 78 2.560 3.304 0.406 1.00 0.00 C ATOM 1206 CD1 ILE A 78 0.477 1.181 0.422 1.00 0.00 C ATOM 0 H ILE A 78 -0.640 4.377 2.541 1.00 0.00 H new ATOM 0 HA ILE A 78 1.292 2.270 2.725 1.00 0.00 H new ATOM 0 HB ILE A 78 0.912 4.598 0.802 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.831 2.822 0.806 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.038 2.934 -0.712 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.531 3.467 -0.671 1.00 0.00 H new ATOM 0 HG22 ILE A 78 3.280 3.987 0.857 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.859 2.276 0.609 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.304 0.599 -0.067 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.431 0.998 -0.073 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.549 0.885 1.468 1.00 0.00 H new ATOM 1218 N ASP A 79 2.081 5.189 3.823 1.00 0.00 N ATOM 1219 CA ASP A 79 3.127 5.977 4.464 1.00 0.00 C ATOM 1220 C ASP A 79 3.565 5.329 5.773 1.00 0.00 C ATOM 1221 O ASP A 79 4.752 5.080 5.987 1.00 0.00 O ATOM 1222 CB ASP A 79 2.634 7.403 4.725 1.00 0.00 C ATOM 1223 CG ASP A 79 3.768 8.408 4.755 1.00 0.00 C ATOM 1224 OD1 ASP A 79 4.146 8.911 3.676 1.00 0.00 O ATOM 1225 OD2 ASP A 79 4.280 8.695 5.859 1.00 0.00 O ATOM 0 H ASP A 79 1.138 5.561 3.941 1.00 0.00 H new ATOM 0 HA ASP A 79 3.984 6.016 3.792 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.921 7.686 3.950 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.100 7.432 5.675 1.00 0.00 H new ATOM 1230 N LYS A 80 2.599 5.057 6.647 1.00 0.00 N ATOM 1231 CA LYS A 80 2.891 4.435 7.933 1.00 0.00 C ATOM 1232 C LYS A 80 3.350 2.993 7.747 1.00 0.00 C ATOM 1233 O LYS A 80 4.155 2.482 8.527 1.00 0.00 O ATOM 1234 CB LYS A 80 1.661 4.488 8.845 1.00 0.00 C ATOM 1235 CG LYS A 80 0.525 3.581 8.400 1.00 0.00 C ATOM 1236 CD LYS A 80 -0.734 3.828 9.215 1.00 0.00 C ATOM 1237 CE LYS A 80 -1.405 5.134 8.827 1.00 0.00 C ATOM 1238 NZ LYS A 80 -2.168 5.725 9.959 1.00 0.00 N ATOM 0 H LYS A 80 1.612 5.257 6.488 1.00 0.00 H new ATOM 0 HA LYS A 80 3.700 4.993 8.404 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.959 4.212 9.857 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.297 5.515 8.889 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.315 3.750 7.344 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.828 2.539 8.502 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.431 3.003 9.068 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.483 3.848 10.276 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.650 5.843 8.489 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.078 4.961 7.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.610 6.615 9.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.906 5.059 10.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.522 5.915 10.752 1.00 0.00 H new ATOM 1252 N LEU A 81 2.841 2.340 6.706 1.00 0.00 N ATOM 1253 CA LEU A 81 3.210 0.959 6.419 1.00 0.00 C ATOM 1254 C LEU A 81 4.688 0.865 6.059 1.00 0.00 C ATOM 1255 O LEU A 81 5.416 0.034 6.599 1.00 0.00 O ATOM 1256 CB LEU A 81 2.354 0.402 5.276 1.00 0.00 C ATOM 1257 CG LEU A 81 1.000 -0.193 5.682 1.00 0.00 C ATOM 1258 CD1 LEU A 81 1.133 -1.681 5.963 1.00 0.00 C ATOM 1259 CD2 LEU A 81 0.424 0.528 6.894 1.00 0.00 C ATOM 0 H LEU A 81 2.174 2.744 6.049 1.00 0.00 H new ATOM 0 HA LEU A 81 3.030 0.364 7.314 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.177 1.202 4.557 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.928 -0.368 4.760 1.00 0.00 H new ATOM 0 HG LEU A 81 0.311 -0.056 4.849 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.162 -2.085 6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.488 -2.190 5.067 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.844 -1.836 6.774 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.536 0.085 7.159 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.112 0.433 7.734 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.284 1.583 6.657 1.00 0.00 H new ATOM 1271 N ALA A 82 5.128 1.731 5.150 1.00 0.00 N ATOM 1272 CA ALA A 82 6.524 1.749 4.730 1.00 0.00 C ATOM 1273 C ALA A 82 7.446 1.929 5.929 1.00 0.00 C ATOM 1274 O ALA A 82 8.329 1.109 6.178 1.00 0.00 O ATOM 1275 CB ALA A 82 6.756 2.853 3.709 1.00 0.00 C ATOM 0 H ALA A 82 4.539 2.427 4.692 1.00 0.00 H new ATOM 0 HA ALA A 82 6.754 0.791 4.264 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.803 2.854 3.405 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.125 2.681 2.837 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.506 3.817 4.152 1.00 0.00 H new ATOM 1281 N ARG A 83 7.233 3.013 6.672 1.00 0.00 N ATOM 1282 CA ARG A 83 8.041 3.308 7.851 1.00 0.00 C ATOM 1283 C ARG A 83 8.106 2.104 8.789 1.00 0.00 C ATOM 1284 O ARG A 83 9.111 1.883 9.464 1.00 0.00 O ATOM 1285 CB ARG A 83 7.470 4.517 8.596 1.00 0.00 C ATOM 1286 CG ARG A 83 7.399 5.776 7.748 1.00 0.00 C ATOM 1287 CD ARG A 83 8.783 6.336 7.465 1.00 0.00 C ATOM 1288 NE ARG A 83 9.525 6.607 8.694 1.00 0.00 N ATOM 1289 CZ ARG A 83 9.246 7.609 9.524 1.00 0.00 C ATOM 1290 NH1 ARG A 83 8.242 8.437 9.261 1.00 0.00 N ATOM 1291 NH2 ARG A 83 9.970 7.783 10.620 1.00 0.00 N ATOM 0 H ARG A 83 6.506 3.702 6.477 1.00 0.00 H new ATOM 0 HA ARG A 83 9.053 3.537 7.516 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.470 4.273 8.954 1.00 0.00 H new ATOM 0 HB3 ARG A 83 8.084 4.715 9.475 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.896 5.554 6.807 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.799 6.528 8.261 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.342 5.629 6.852 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.691 7.255 6.887 1.00 0.00 H new ATOM 0 HE ARG A 83 10.303 5.991 8.930 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.680 8.307 8.420 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.032 9.203 9.900 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.741 7.149 10.828 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.756 8.551 11.256 1.00 0.00 H new ATOM 1305 N GLN A 84 7.032 1.321 8.816 1.00 0.00 N ATOM 1306 CA GLN A 84 6.976 0.134 9.661 1.00 0.00 C ATOM 1307 C GLN A 84 7.871 -0.964 9.100 1.00 0.00 C ATOM 1308 O GLN A 84 8.550 -1.670 9.846 1.00 0.00 O ATOM 1309 CB GLN A 84 5.534 -0.370 9.775 1.00 0.00 C ATOM 1310 CG GLN A 84 4.816 0.122 11.020 1.00 0.00 C ATOM 1311 CD GLN A 84 5.293 -0.570 12.282 1.00 0.00 C ATOM 1312 OE1 GLN A 84 5.653 -1.747 12.260 1.00 0.00 O ATOM 1313 NE2 GLN A 84 5.298 0.159 13.392 1.00 0.00 N ATOM 0 H GLN A 84 6.191 1.487 8.264 1.00 0.00 H new ATOM 0 HA GLN A 84 7.335 0.402 10.655 1.00 0.00 H new ATOM 0 HB2 GLN A 84 4.976 -0.052 8.894 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.537 -1.460 9.774 1.00 0.00 H new ATOM 0 HG2 GLN A 84 4.967 1.197 11.121 1.00 0.00 H new ATOM 0 HG3 GLN A 84 3.744 -0.040 10.904 1.00 0.00 H new ATOM 0 HE21 GLN A 84 4.991 1.131 13.365 1.00 0.00 H new ATOM 0 HE22 GLN A 84 5.609 -0.253 14.272 1.00 0.00 H new ATOM 1322 N LEU A 85 7.872 -1.095 7.778 1.00 0.00 N ATOM 1323 CA LEU A 85 8.691 -2.101 7.112 1.00 0.00 C ATOM 1324 C LEU A 85 10.168 -1.869 7.403 1.00 0.00 C ATOM 1325 O LEU A 85 10.922 -2.813 7.638 1.00 0.00 O ATOM 1326 CB LEU A 85 8.444 -2.083 5.601 1.00 0.00 C ATOM 1327 CG LEU A 85 7.260 -2.930 5.128 1.00 0.00 C ATOM 1328 CD1 LEU A 85 6.019 -2.069 4.963 1.00 0.00 C ATOM 1329 CD2 LEU A 85 7.600 -3.637 3.824 1.00 0.00 C ATOM 0 H LEU A 85 7.316 -0.518 7.147 1.00 0.00 H new ATOM 0 HA LEU A 85 8.408 -3.079 7.500 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.282 -1.052 5.287 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.345 -2.432 5.097 1.00 0.00 H new ATOM 0 HG LEU A 85 7.052 -3.686 5.885 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.188 -2.689 4.626 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.765 -1.610 5.918 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.212 -1.290 4.226 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.748 -4.235 3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.834 -2.897 3.059 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.462 -4.287 3.976 1.00 0.00 H new ATOM 1341 N THR A 86 10.576 -0.603 7.394 1.00 0.00 N ATOM 1342 CA THR A 86 11.963 -0.247 7.664 1.00 0.00 C ATOM 1343 C THR A 86 12.333 -0.590 9.103 1.00 0.00 C ATOM 1344 O THR A 86 13.438 -1.057 9.377 1.00 0.00 O ATOM 1345 CB THR A 86 12.195 1.246 7.404 1.00 0.00 C ATOM 1346 OG1 THR A 86 10.964 1.944 7.335 1.00 0.00 O ATOM 1347 CG2 THR A 86 12.955 1.519 6.123 1.00 0.00 C ATOM 0 H THR A 86 9.966 0.192 7.203 1.00 0.00 H new ATOM 0 HA THR A 86 12.600 -0.823 6.992 1.00 0.00 H new ATOM 0 HB THR A 86 12.796 1.595 8.244 1.00 0.00 H new ATOM 0 HG1 THR A 86 10.489 1.854 8.187 1.00 0.00 H new ATOM 0 HG21 THR A 86 13.085 2.594 5.999 1.00 0.00 H new ATOM 0 HG22 THR A 86 13.932 1.038 6.170 1.00 0.00 H new ATOM 0 HG23 THR A 86 12.396 1.121 5.276 1.00 0.00 H new ATOM 1355 N LYS A 87 11.398 -0.351 10.019 1.00 0.00 N ATOM 1356 CA LYS A 87 11.622 -0.630 11.434 1.00 0.00 C ATOM 1357 C LYS A 87 12.040 -2.083 11.652 1.00 0.00 C ATOM 1358 O LYS A 87 13.131 -2.355 12.155 1.00 0.00 O ATOM 1359 CB LYS A 87 10.358 -0.322 12.241 1.00 0.00 C ATOM 1360 CG LYS A 87 10.448 0.968 13.042 1.00 0.00 C ATOM 1361 CD LYS A 87 9.399 1.980 12.602 1.00 0.00 C ATOM 1362 CE LYS A 87 10.012 3.350 12.360 1.00 0.00 C ATOM 1363 NZ LYS A 87 8.980 4.422 12.324 1.00 0.00 N ATOM 0 H LYS A 87 10.478 0.035 9.806 1.00 0.00 H new ATOM 0 HA LYS A 87 12.433 0.012 11.778 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.509 -0.259 11.561 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.161 -1.150 12.922 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.319 0.748 14.102 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.442 1.400 12.925 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.915 1.631 11.690 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.624 2.057 13.365 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.735 3.568 13.146 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.559 3.341 11.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 9.435 5.335 12.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.285 4.210 11.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.498 4.471 13.244 1.00 0.00 H new ATOM 1377 N HIS A 88 11.166 -3.013 11.281 1.00 0.00 N ATOM 1378 CA HIS A 88 11.451 -4.437 11.447 1.00 0.00 C ATOM 1379 C HIS A 88 12.554 -4.901 10.495 1.00 0.00 C ATOM 1380 O HIS A 88 13.181 -5.935 10.718 1.00 0.00 O ATOM 1381 CB HIS A 88 10.176 -5.267 11.243 1.00 0.00 C ATOM 1382 CG HIS A 88 9.820 -5.521 9.808 1.00 0.00 C ATOM 1383 ND1 HIS A 88 10.485 -6.185 8.831 1.00 0.00 N flip ATOM 1384 CD2 HIS A 88 8.644 -5.083 9.235 1.00 0.00 C flip ATOM 1385 CE1 HIS A 88 9.707 -6.136 7.702 1.00 0.00 C flip ATOM 1386 NE2 HIS A 88 8.600 -5.467 7.972 1.00 0.00 N flip ATOM 0 H HIS A 88 10.257 -2.809 10.865 1.00 0.00 H new ATOM 0 HA HIS A 88 11.808 -4.589 12.466 1.00 0.00 H new ATOM 0 HB2 HIS A 88 10.297 -6.225 11.749 1.00 0.00 H new ATOM 0 HB3 HIS A 88 9.343 -4.755 11.725 1.00 0.00 H new ATOM 0 HD2 HIS A 88 7.878 -4.514 9.741 1.00 0.00 H new ATOM 0 HE1 HIS A 88 9.959 -6.573 6.747 1.00 0.00 H new ATOM 0 HE2 HIS A 88 7.841 -5.279 7.317 1.00 0.00 H new ATOM 1395 N LYS A 89 12.784 -4.134 9.432 1.00 0.00 N ATOM 1396 CA LYS A 89 13.811 -4.476 8.454 1.00 0.00 C ATOM 1397 C LYS A 89 15.197 -4.049 8.932 1.00 0.00 C ATOM 1398 O LYS A 89 16.210 -4.539 8.435 1.00 0.00 O ATOM 1399 CB LYS A 89 13.499 -3.819 7.108 1.00 0.00 C ATOM 1400 CG LYS A 89 14.490 -4.179 6.012 1.00 0.00 C ATOM 1401 CD LYS A 89 15.674 -3.225 5.994 1.00 0.00 C ATOM 1402 CE LYS A 89 15.596 -2.260 4.822 1.00 0.00 C ATOM 1403 NZ LYS A 89 16.797 -1.385 4.743 1.00 0.00 N ATOM 0 H LYS A 89 12.274 -3.274 9.227 1.00 0.00 H new ATOM 0 HA LYS A 89 13.811 -5.559 8.335 1.00 0.00 H new ATOM 0 HB2 LYS A 89 12.498 -4.113 6.793 1.00 0.00 H new ATOM 0 HB3 LYS A 89 13.488 -2.737 7.235 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.845 -5.198 6.162 1.00 0.00 H new ATOM 0 HG3 LYS A 89 13.988 -4.156 5.045 1.00 0.00 H new ATOM 0 HD2 LYS A 89 15.704 -2.663 6.928 1.00 0.00 H new ATOM 0 HD3 LYS A 89 16.601 -3.795 5.936 1.00 0.00 H new ATOM 0 HE2 LYS A 89 15.495 -2.823 3.894 1.00 0.00 H new ATOM 0 HE3 LYS A 89 14.703 -1.643 4.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 16.705 -0.742 3.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 16.879 -0.829 5.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 17.647 -1.972 4.625 1.00 0.00 H new ATOM 1417 N ASP A 90 15.236 -3.133 9.897 1.00 0.00 N ATOM 1418 CA ASP A 90 16.503 -2.645 10.434 1.00 0.00 C ATOM 1419 C ASP A 90 17.169 -3.701 11.311 1.00 0.00 C ATOM 1420 O ASP A 90 18.373 -3.937 11.206 1.00 0.00 O ATOM 1421 CB ASP A 90 16.277 -1.365 11.239 1.00 0.00 C ATOM 1422 CG ASP A 90 17.390 -0.355 11.045 1.00 0.00 C ATOM 1423 OD1 ASP A 90 17.323 0.422 10.070 1.00 0.00 O ATOM 1424 OD2 ASP A 90 18.331 -0.342 11.867 1.00 0.00 O ATOM 0 H ASP A 90 14.408 -2.715 10.321 1.00 0.00 H new ATOM 0 HA ASP A 90 17.165 -2.429 9.595 1.00 0.00 H new ATOM 0 HB2 ASP A 90 15.328 -0.917 10.944 1.00 0.00 H new ATOM 0 HB3 ASP A 90 16.197 -1.614 12.297 1.00 0.00 H new