USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 652 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 74 TYR OH : rot 180:sc= 0.0339 USER MOD Set 1.2: A 78 GLN : amide:sc= -0.293 K(o=-0.26,f=-0.79) USER MOD Set 2.1: A 61 THR OG1 : rot 140:sc= 2.27 USER MOD Set 2.2: A 65 LYS NZ :NH3+ 168:sc= 1.26 (180deg=-0.00666) USER MOD Set 3.1: A 20 GLN : amide:sc= 0.52 K(o=0.078,f=-0.69) USER MOD Set 3.2: A 77 GLN : amide:sc= -0.442 K(o=0.078,f=-0.69) USER MOD Set 4.1: A 16 ASN : amide:sc= -0.0955 K(o=1.8,f=-6.6!) USER MOD Set 4.2: A 75 LYS NZ :NH3+ -158:sc= 1.87 (180deg=0.627) USER MOD Single : A 6 GLN :FLIP amide:sc= -0.0615 F(o=-1.5!,f=-0.062) USER MOD Single : A 8 HIS : no HE2:sc= 0.745 K(o=0.74,f=-6.3!) USER MOD Single : A 10 ASN : amide:sc=-0.00112 K(o=-0.0011,f=-1.3) USER MOD Single : A 12 ASN : amide:sc= 0.697 K(o=0.7,f=-0.069) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot -100:sc= -2.91! USER MOD Single : A 23 MET CE :methyl 154:sc= -0.932 (180deg=-2.32!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0503) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.231 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.0682 K(o=-0.068,f=-0.65) USER MOD Single : A 44 GLN : amide:sc= 0.791 K(o=0.79,f=-0.051) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -114:sc= -5.65! (180deg=-6.99!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN :FLIP amide:sc= -0.0683 F(o=-1.5!,f=-0.068) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0.33) USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -110:sc= -2.27 (180deg=-6.58!) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 5 -2.604 -10.787 8.947 1.00 0.00 N ATOM 2 CA GLY A 5 -2.696 -10.475 7.534 1.00 0.00 C ATOM 3 C GLY A 5 -1.331 -10.414 6.880 1.00 0.00 C ATOM 4 O GLY A 5 -0.776 -9.332 6.690 1.00 0.00 O ATOM 0 HA2 GLY A 5 -3.305 -11.229 7.034 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.203 -9.519 7.405 1.00 0.00 H new ATOM 8 N GLN A 6 -0.788 -11.578 6.553 1.00 0.00 N ATOM 9 CA GLN A 6 0.538 -11.676 5.952 1.00 0.00 C ATOM 10 C GLN A 6 0.423 -12.188 4.518 1.00 0.00 C ATOM 11 O GLN A 6 1.349 -12.797 3.976 1.00 0.00 O ATOM 12 CB GLN A 6 1.416 -12.604 6.789 1.00 0.00 C ATOM 13 CG GLN A 6 1.449 -12.226 8.259 1.00 0.00 C ATOM 14 CD GLN A 6 2.167 -13.248 9.117 1.00 0.00 C ATOM 15 OE1 GLN A 6 2.162 -14.500 8.686 1.00 0.00 O flip ATOM 16 NE2 GLN A 6 2.731 -12.909 10.160 1.00 0.00 N flip ATOM 0 H GLN A 6 -1.249 -12.477 6.695 1.00 0.00 H new ATOM 0 HA GLN A 6 0.999 -10.689 5.929 1.00 0.00 H new ATOM 0 HB2 GLN A 6 1.051 -13.626 6.691 1.00 0.00 H new ATOM 0 HB3 GLN A 6 2.431 -12.589 6.393 1.00 0.00 H new ATOM 0 HG2 GLN A 6 1.939 -11.259 8.369 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.428 -12.109 8.621 1.00 0.00 H new ATOM 0 HE21 GLN A 6 2.711 -11.933 10.457 1.00 0.00 H new ATOM 0 HE22 GLN A 6 3.217 -13.604 10.726 1.00 0.00 H new ATOM 25 N PHE A 7 -0.742 -11.911 3.937 1.00 0.00 N ATOM 26 CA PHE A 7 -1.101 -12.275 2.564 1.00 0.00 C ATOM 27 C PHE A 7 -1.615 -13.702 2.459 1.00 0.00 C ATOM 28 O PHE A 7 -0.856 -14.669 2.538 1.00 0.00 O ATOM 29 CB PHE A 7 0.021 -12.049 1.548 1.00 0.00 C ATOM 30 CG PHE A 7 -0.402 -12.408 0.147 1.00 0.00 C ATOM 31 CD1 PHE A 7 -1.395 -11.685 -0.491 1.00 0.00 C ATOM 32 CD2 PHE A 7 0.169 -13.481 -0.517 1.00 0.00 C ATOM 33 CE1 PHE A 7 -1.808 -12.020 -1.765 1.00 0.00 C ATOM 34 CE2 PHE A 7 -0.241 -13.824 -1.789 1.00 0.00 C ATOM 35 CZ PHE A 7 -1.230 -13.091 -2.415 1.00 0.00 C ATOM 0 H PHE A 7 -1.487 -11.411 4.422 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.909 -11.590 2.306 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.330 -11.004 1.576 1.00 0.00 H new ATOM 0 HB3 PHE A 7 0.889 -12.646 1.828 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.853 -10.848 0.015 1.00 0.00 H new ATOM 0 HD2 PHE A 7 0.945 -14.056 -0.033 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.582 -11.445 -2.252 1.00 0.00 H new ATOM 0 HE2 PHE A 7 0.211 -14.665 -2.294 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.550 -13.356 -3.412 1.00 0.00 H new ATOM 45 N HIS A 8 -2.926 -13.785 2.289 1.00 0.00 N ATOM 46 CA HIS A 8 -3.642 -15.009 1.952 1.00 0.00 C ATOM 47 C HIS A 8 -3.440 -16.120 2.982 1.00 0.00 C ATOM 48 O HIS A 8 -4.240 -16.265 3.906 1.00 0.00 O ATOM 49 CB HIS A 8 -3.255 -15.490 0.550 1.00 0.00 C ATOM 50 CG HIS A 8 -4.373 -16.201 -0.141 1.00 0.00 C ATOM 51 ND1 HIS A 8 -4.382 -17.556 -0.364 1.00 0.00 N ATOM 52 CD2 HIS A 8 -5.535 -15.730 -0.649 1.00 0.00 C ATOM 53 CE1 HIS A 8 -5.497 -17.891 -0.979 1.00 0.00 C ATOM 54 NE2 HIS A 8 -6.217 -16.802 -1.165 1.00 0.00 N ATOM 0 H HIS A 8 -3.542 -12.977 2.385 1.00 0.00 H new ATOM 0 HA HIS A 8 -4.704 -14.765 1.964 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -2.946 -14.635 -0.051 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -2.395 -16.156 0.623 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -3.640 -18.202 -0.095 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -5.864 -14.701 -0.648 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -5.775 -18.890 -1.281 1.00 0.00 H new ATOM 63 N ASP A 9 -2.372 -16.888 2.831 1.00 0.00 N ATOM 64 CA ASP A 9 -2.165 -18.072 3.654 1.00 0.00 C ATOM 65 C ASP A 9 -0.970 -17.889 4.573 1.00 0.00 C ATOM 66 O ASP A 9 -0.201 -18.827 4.791 1.00 0.00 O ATOM 67 CB ASP A 9 -1.954 -19.308 2.777 1.00 0.00 C ATOM 68 CG ASP A 9 -3.067 -19.501 1.772 1.00 0.00 C ATOM 69 OD1 ASP A 9 -4.216 -19.758 2.183 1.00 0.00 O ATOM 70 OD2 ASP A 9 -2.802 -19.365 0.558 1.00 0.00 O ATOM 0 H ASP A 9 -1.635 -16.714 2.147 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.058 -18.215 4.262 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.004 -19.218 2.250 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.884 -20.192 3.411 1.00 0.00 H new ATOM 75 N ASN A 10 -0.810 -16.664 5.081 1.00 0.00 N ATOM 76 CA ASN A 10 0.235 -16.331 6.056 1.00 0.00 C ATOM 77 C ASN A 10 1.618 -16.261 5.414 1.00 0.00 C ATOM 78 O ASN A 10 2.330 -15.270 5.563 1.00 0.00 O ATOM 79 CB ASN A 10 0.251 -17.332 7.220 1.00 0.00 C ATOM 80 CG ASN A 10 -0.931 -17.178 8.161 1.00 0.00 C ATOM 81 OD1 ASN A 10 -2.002 -16.711 7.771 1.00 0.00 O ATOM 82 ND2 ASN A 10 -0.743 -17.579 9.410 1.00 0.00 N ATOM 0 H ASN A 10 -1.402 -15.873 4.828 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.008 -15.342 6.444 1.00 0.00 H new ATOM 0 HB2 ASN A 10 0.257 -18.345 6.819 1.00 0.00 H new ATOM 0 HB3 ASN A 10 1.175 -17.207 7.785 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -1.501 -17.506 10.089 1.00 0.00 H new ATOM 0 HD22 ASN A 10 0.160 -17.960 9.693 1.00 0.00 H new ATOM 89 N ALA A 11 1.998 -17.312 4.712 1.00 0.00 N ATOM 90 CA ALA A 11 3.309 -17.378 4.096 1.00 0.00 C ATOM 91 C ALA A 11 3.237 -17.053 2.610 1.00 0.00 C ATOM 92 O ALA A 11 3.142 -17.954 1.775 1.00 0.00 O ATOM 93 CB ALA A 11 3.923 -18.753 4.316 1.00 0.00 C ATOM 0 H ALA A 11 1.415 -18.134 4.554 1.00 0.00 H new ATOM 0 HA ALA A 11 3.945 -16.629 4.568 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.907 -18.791 3.849 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.021 -18.941 5.385 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.281 -19.513 3.871 1.00 0.00 H new ATOM 99 N ASN A 12 3.264 -15.766 2.285 1.00 0.00 N ATOM 100 CA ASN A 12 3.313 -15.330 0.897 1.00 0.00 C ATOM 101 C ASN A 12 4.666 -15.692 0.289 1.00 0.00 C ATOM 102 O ASN A 12 5.668 -15.787 1.005 1.00 0.00 O ATOM 103 CB ASN A 12 3.061 -13.819 0.795 1.00 0.00 C ATOM 104 CG ASN A 12 4.155 -12.977 1.431 1.00 0.00 C ATOM 105 OD1 ASN A 12 5.157 -12.646 0.797 1.00 0.00 O ATOM 106 ND2 ASN A 12 3.956 -12.601 2.686 1.00 0.00 N ATOM 0 H ASN A 12 3.253 -15.006 2.965 1.00 0.00 H new ATOM 0 HA ASN A 12 2.528 -15.841 0.339 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.967 -13.545 -0.256 1.00 0.00 H new ATOM 0 HB3 ASN A 12 2.109 -13.584 1.272 1.00 0.00 H new ATOM 0 HD21 ASN A 12 4.646 -12.017 3.159 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.113 -12.895 3.179 1.00 0.00 H new ATOM 113 N GLY A 13 4.691 -15.904 -1.021 1.00 0.00 N ATOM 114 CA GLY A 13 5.907 -16.346 -1.684 1.00 0.00 C ATOM 115 C GLY A 13 6.900 -15.223 -1.921 1.00 0.00 C ATOM 116 O GLY A 13 7.338 -14.998 -3.051 1.00 0.00 O ATOM 0 H GLY A 13 3.890 -15.778 -1.639 1.00 0.00 H new ATOM 0 HA2 GLY A 13 6.381 -17.120 -1.081 1.00 0.00 H new ATOM 0 HA3 GLY A 13 5.647 -16.801 -2.640 1.00 0.00 H new ATOM 120 N GLY A 14 7.249 -14.511 -0.858 1.00 0.00 N ATOM 121 CA GLY A 14 8.223 -13.445 -0.956 1.00 0.00 C ATOM 122 C GLY A 14 7.597 -12.128 -1.362 1.00 0.00 C ATOM 123 O GLY A 14 7.935 -11.076 -0.818 1.00 0.00 O ATOM 0 H GLY A 14 6.870 -14.656 0.078 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.725 -13.325 0.004 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.987 -13.720 -1.683 1.00 0.00 H new ATOM 127 N GLN A 15 6.672 -12.186 -2.306 1.00 0.00 N ATOM 128 CA GLN A 15 6.022 -10.992 -2.807 1.00 0.00 C ATOM 129 C GLN A 15 4.523 -11.058 -2.548 1.00 0.00 C ATOM 130 O GLN A 15 3.875 -12.066 -2.832 1.00 0.00 O ATOM 131 CB GLN A 15 6.306 -10.831 -4.300 1.00 0.00 C ATOM 132 CG GLN A 15 5.687 -9.584 -4.909 1.00 0.00 C ATOM 133 CD GLN A 15 6.176 -9.316 -6.318 1.00 0.00 C ATOM 134 OE1 GLN A 15 5.593 -9.786 -7.296 1.00 0.00 O ATOM 135 NE2 GLN A 15 7.256 -8.557 -6.429 1.00 0.00 N ATOM 0 H GLN A 15 6.355 -13.053 -2.741 1.00 0.00 H new ATOM 0 HA GLN A 15 6.421 -10.124 -2.282 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.385 -10.803 -4.455 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.931 -11.707 -4.829 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.602 -9.690 -4.919 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.917 -8.725 -4.279 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.708 -8.188 -5.592 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.635 -8.342 -7.351 1.00 0.00 H new ATOM 144 N ASN A 16 3.996 -9.988 -1.979 1.00 0.00 N ATOM 145 CA ASN A 16 2.567 -9.867 -1.723 1.00 0.00 C ATOM 146 C ASN A 16 1.825 -9.662 -3.041 1.00 0.00 C ATOM 147 O ASN A 16 2.345 -9.018 -3.955 1.00 0.00 O ATOM 148 CB ASN A 16 2.306 -8.686 -0.784 1.00 0.00 C ATOM 149 CG ASN A 16 2.827 -8.918 0.623 1.00 0.00 C ATOM 150 OD1 ASN A 16 2.096 -9.378 1.500 1.00 0.00 O ATOM 151 ND2 ASN A 16 4.089 -8.597 0.852 1.00 0.00 N ATOM 0 H ASN A 16 4.542 -9.180 -1.681 1.00 0.00 H new ATOM 0 HA ASN A 16 2.207 -10.781 -1.250 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.774 -7.792 -1.196 1.00 0.00 H new ATOM 0 HB3 ASN A 16 1.234 -8.494 -0.741 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.488 -8.728 1.782 1.00 0.00 H new ATOM 0 HD22 ASN A 16 4.664 -8.218 0.099 1.00 0.00 H new ATOM 158 N GLY A 17 0.613 -10.199 -3.135 1.00 0.00 N ATOM 159 CA GLY A 17 -0.096 -10.210 -4.404 1.00 0.00 C ATOM 160 C GLY A 17 -1.259 -9.235 -4.477 1.00 0.00 C ATOM 161 O GLY A 17 -1.517 -8.659 -5.534 1.00 0.00 O ATOM 0 H GLY A 17 0.109 -10.626 -2.358 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.608 -9.978 -5.203 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.469 -11.217 -4.590 1.00 0.00 H new ATOM 165 N THR A 18 -1.971 -9.057 -3.374 1.00 0.00 N ATOM 166 CA THR A 18 -3.142 -8.191 -3.360 1.00 0.00 C ATOM 167 C THR A 18 -2.733 -6.730 -3.483 1.00 0.00 C ATOM 168 O THR A 18 -1.905 -6.248 -2.720 1.00 0.00 O ATOM 169 CB THR A 18 -3.948 -8.403 -2.065 1.00 0.00 C ATOM 170 OG1 THR A 18 -4.354 -9.773 -1.981 1.00 0.00 O ATOM 171 CG2 THR A 18 -5.175 -7.495 -2.003 1.00 0.00 C ATOM 0 H THR A 18 -1.760 -9.499 -2.479 1.00 0.00 H new ATOM 0 HA THR A 18 -3.767 -8.450 -4.214 1.00 0.00 H new ATOM 0 HB THR A 18 -3.307 -8.147 -1.221 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.288 -9.855 -2.266 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.715 -7.676 -1.074 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.859 -6.453 -2.041 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.828 -7.707 -2.850 1.00 0.00 H new ATOM 179 N VAL A 19 -3.313 -6.033 -4.447 1.00 0.00 N ATOM 180 CA VAL A 19 -2.998 -4.631 -4.663 1.00 0.00 C ATOM 181 C VAL A 19 -4.258 -3.841 -5.016 1.00 0.00 C ATOM 182 O VAL A 19 -5.139 -4.339 -5.719 1.00 0.00 O ATOM 183 CB VAL A 19 -1.929 -4.464 -5.772 1.00 0.00 C ATOM 184 CG1 VAL A 19 -2.414 -5.032 -7.099 1.00 0.00 C ATOM 185 CG2 VAL A 19 -1.531 -3.003 -5.922 1.00 0.00 C ATOM 0 H VAL A 19 -4.004 -6.416 -5.092 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.589 -4.235 -3.734 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.047 -5.030 -5.472 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.641 -4.899 -7.856 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.630 -6.094 -6.983 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.319 -4.510 -7.409 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.780 -2.909 -6.706 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.408 -2.412 -6.187 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.120 -2.639 -4.980 1.00 0.00 H new ATOM 195 N GLN A 20 -4.358 -2.630 -4.487 1.00 0.00 N ATOM 196 CA GLN A 20 -5.446 -1.726 -4.836 1.00 0.00 C ATOM 197 C GLN A 20 -4.878 -0.381 -5.254 1.00 0.00 C ATOM 198 O GLN A 20 -3.925 0.105 -4.644 1.00 0.00 O ATOM 199 CB GLN A 20 -6.420 -1.547 -3.664 1.00 0.00 C ATOM 200 CG GLN A 20 -7.142 -2.830 -3.270 1.00 0.00 C ATOM 201 CD GLN A 20 -8.253 -2.613 -2.255 1.00 0.00 C ATOM 202 OE1 GLN A 20 -9.236 -3.354 -2.234 1.00 0.00 O ATOM 203 NE2 GLN A 20 -8.111 -1.601 -1.408 1.00 0.00 N ATOM 0 H GLN A 20 -3.696 -2.249 -3.811 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.001 -2.162 -5.667 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.872 -1.169 -2.801 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.159 -0.791 -3.929 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -7.562 -3.290 -4.164 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.418 -3.534 -2.859 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.282 -1.008 -1.456 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.831 -1.416 -0.709 1.00 0.00 H new ATOM 212 N GLU A 21 -5.449 0.204 -6.300 1.00 0.00 N ATOM 213 CA GLU A 21 -4.985 1.492 -6.800 1.00 0.00 C ATOM 214 C GLU A 21 -5.916 2.608 -6.361 1.00 0.00 C ATOM 215 O GLU A 21 -7.093 2.626 -6.721 1.00 0.00 O ATOM 216 CB GLU A 21 -4.863 1.473 -8.325 1.00 0.00 C ATOM 217 CG GLU A 21 -3.868 0.444 -8.818 1.00 0.00 C ATOM 218 CD GLU A 21 -3.578 0.536 -10.300 1.00 0.00 C ATOM 219 OE1 GLU A 21 -4.397 0.044 -11.104 1.00 0.00 O ATOM 220 OE2 GLU A 21 -2.510 1.076 -10.667 1.00 0.00 O ATOM 0 H GLU A 21 -6.233 -0.193 -6.818 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.998 1.679 -6.378 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.840 1.266 -8.761 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.561 2.461 -8.674 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.935 0.561 -8.267 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.248 -0.552 -8.593 1.00 0.00 H new ATOM 227 N ILE A 22 -5.386 3.525 -5.570 1.00 0.00 N ATOM 228 CA ILE A 22 -6.154 4.668 -5.100 1.00 0.00 C ATOM 229 C ILE A 22 -5.810 5.892 -5.933 1.00 0.00 C ATOM 230 O ILE A 22 -4.699 6.000 -6.452 1.00 0.00 O ATOM 231 CB ILE A 22 -5.867 4.982 -3.609 1.00 0.00 C ATOM 232 CG1 ILE A 22 -5.811 3.691 -2.781 1.00 0.00 C ATOM 233 CG2 ILE A 22 -6.932 5.919 -3.041 1.00 0.00 C ATOM 234 CD1 ILE A 22 -7.083 2.865 -2.829 1.00 0.00 C ATOM 0 H ILE A 22 -4.422 3.501 -5.238 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.210 4.418 -5.202 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.897 5.476 -3.551 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.981 3.080 -3.137 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.597 3.947 -1.743 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.712 6.127 -1.994 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.933 6.852 -3.604 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.911 5.447 -3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.959 1.971 -2.218 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.915 3.455 -2.444 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.290 2.575 -3.859 1.00 0.00 H new ATOM 246 N MET A 23 -6.761 6.792 -6.078 1.00 0.00 N ATOM 247 CA MET A 23 -6.529 8.051 -6.762 1.00 0.00 C ATOM 248 C MET A 23 -6.387 9.158 -5.736 1.00 0.00 C ATOM 249 O MET A 23 -7.379 9.752 -5.314 1.00 0.00 O ATOM 250 CB MET A 23 -7.688 8.366 -7.704 1.00 0.00 C ATOM 251 CG MET A 23 -7.864 7.368 -8.837 1.00 0.00 C ATOM 252 SD MET A 23 -7.003 7.841 -10.355 1.00 0.00 S ATOM 253 CE MET A 23 -5.288 7.669 -9.875 1.00 0.00 C ATOM 0 H MET A 23 -7.712 6.674 -5.728 1.00 0.00 H new ATOM 0 HA MET A 23 -5.614 7.974 -7.350 1.00 0.00 H new ATOM 0 HB2 MET A 23 -8.611 8.406 -7.125 1.00 0.00 H new ATOM 0 HB3 MET A 23 -7.535 9.358 -8.130 1.00 0.00 H new ATOM 0 HG2 MET A 23 -7.501 6.393 -8.512 1.00 0.00 H new ATOM 0 HG3 MET A 23 -8.927 7.257 -9.051 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.681 7.470 -10.758 1.00 0.00 H new ATOM 0 HE2 MET A 23 -4.949 8.590 -9.401 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.188 6.842 -9.173 1.00 0.00 H new ATOM 263 N ILE A 24 -5.158 9.417 -5.319 1.00 0.00 N ATOM 264 CA ILE A 24 -4.902 10.400 -4.278 1.00 0.00 C ATOM 265 C ILE A 24 -4.993 11.813 -4.836 1.00 0.00 C ATOM 266 O ILE A 24 -4.313 12.144 -5.803 1.00 0.00 O ATOM 267 CB ILE A 24 -3.516 10.199 -3.633 1.00 0.00 C ATOM 268 CG1 ILE A 24 -3.354 8.752 -3.162 1.00 0.00 C ATOM 269 CG2 ILE A 24 -3.319 11.169 -2.476 1.00 0.00 C ATOM 270 CD1 ILE A 24 -4.463 8.282 -2.244 1.00 0.00 C ATOM 0 H ILE A 24 -4.322 8.961 -5.685 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.666 10.259 -3.513 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.751 10.404 -4.382 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.314 8.098 -4.033 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.400 8.652 -2.645 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.335 11.012 -2.033 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.393 12.193 -2.843 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.088 10.997 -1.722 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.280 7.248 -1.952 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.490 8.911 -1.354 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.419 8.348 -2.764 1.00 0.00 H new ATOM 282 N PRO A 25 -5.853 12.651 -4.239 1.00 0.00 N ATOM 283 CA PRO A 25 -6.007 14.048 -4.639 1.00 0.00 C ATOM 284 C PRO A 25 -4.664 14.774 -4.687 1.00 0.00 C ATOM 285 O PRO A 25 -3.840 14.638 -3.780 1.00 0.00 O ATOM 286 CB PRO A 25 -6.894 14.635 -3.539 1.00 0.00 C ATOM 287 CG PRO A 25 -7.665 13.476 -3.018 1.00 0.00 C ATOM 288 CD PRO A 25 -6.756 12.288 -3.137 1.00 0.00 C ATOM 0 HA PRO A 25 -6.428 14.149 -5.639 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.297 15.099 -2.754 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.556 15.406 -3.933 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.961 13.638 -1.982 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.580 13.326 -3.591 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.208 12.109 -2.212 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.313 11.378 -3.359 1.00 0.00 H new ATOM 296 N ALA A 26 -4.463 15.545 -5.755 1.00 0.00 N ATOM 297 CA ALA A 26 -3.194 16.227 -6.012 1.00 0.00 C ATOM 298 C ALA A 26 -2.772 17.128 -4.851 1.00 0.00 C ATOM 299 O ALA A 26 -1.586 17.249 -4.553 1.00 0.00 O ATOM 300 CB ALA A 26 -3.286 17.033 -7.297 1.00 0.00 C ATOM 0 H ALA A 26 -5.174 15.715 -6.466 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.428 15.459 -6.117 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.337 17.537 -7.479 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.509 16.366 -8.130 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.079 17.775 -7.205 1.00 0.00 H new ATOM 306 N GLY A 27 -3.743 17.752 -4.195 1.00 0.00 N ATOM 307 CA GLY A 27 -3.436 18.610 -3.064 1.00 0.00 C ATOM 308 C GLY A 27 -3.203 17.811 -1.795 1.00 0.00 C ATOM 309 O GLY A 27 -2.656 18.316 -0.818 1.00 0.00 O ATOM 0 H GLY A 27 -4.734 17.680 -4.424 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.549 19.203 -3.288 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.256 19.311 -2.907 1.00 0.00 H new ATOM 313 N LYS A 28 -3.622 16.553 -1.814 1.00 0.00 N ATOM 314 CA LYS A 28 -3.455 15.661 -0.671 1.00 0.00 C ATOM 315 C LYS A 28 -2.184 14.830 -0.820 1.00 0.00 C ATOM 316 O LYS A 28 -1.812 14.080 0.084 1.00 0.00 O ATOM 317 CB LYS A 28 -4.667 14.731 -0.534 1.00 0.00 C ATOM 318 CG LYS A 28 -5.746 15.206 0.439 1.00 0.00 C ATOM 319 CD LYS A 28 -6.466 16.464 -0.035 1.00 0.00 C ATOM 320 CE LYS A 28 -5.812 17.730 0.498 1.00 0.00 C ATOM 321 NZ LYS A 28 -6.607 18.946 0.179 1.00 0.00 N ATOM 0 H LYS A 28 -4.084 16.123 -2.615 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.374 16.273 0.227 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.119 14.602 -1.518 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.317 13.750 -0.213 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.475 14.409 0.581 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.291 15.399 1.411 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.471 16.490 -1.125 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.506 16.430 0.288 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.692 17.649 1.578 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.813 17.828 0.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.126 19.785 0.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.700 19.039 -0.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.552 18.865 0.606 1.00 0.00 H new ATOM 335 N ALA A 29 -1.516 14.979 -1.959 1.00 0.00 N ATOM 336 CA ALA A 29 -0.308 14.218 -2.257 1.00 0.00 C ATOM 337 C ALA A 29 0.795 14.504 -1.243 1.00 0.00 C ATOM 338 O ALA A 29 1.642 13.654 -0.976 1.00 0.00 O ATOM 339 CB ALA A 29 0.175 14.523 -3.665 1.00 0.00 C ATOM 0 H ALA A 29 -1.794 15.626 -2.697 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.556 13.159 -2.190 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.077 13.948 -3.873 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.600 14.253 -4.382 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.395 15.587 -3.752 1.00 0.00 H new ATOM 345 N GLY A 30 0.770 15.697 -0.666 1.00 0.00 N ATOM 346 CA GLY A 30 1.752 16.056 0.341 1.00 0.00 C ATOM 347 C GLY A 30 1.627 15.211 1.597 1.00 0.00 C ATOM 348 O GLY A 30 2.599 15.030 2.333 1.00 0.00 O ATOM 0 H GLY A 30 0.087 16.425 -0.877 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.753 15.940 -0.074 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.635 17.108 0.601 1.00 0.00 H new ATOM 352 N LEU A 31 0.435 14.673 1.824 1.00 0.00 N ATOM 353 CA LEU A 31 0.153 13.907 3.033 1.00 0.00 C ATOM 354 C LEU A 31 0.546 12.443 2.867 1.00 0.00 C ATOM 355 O LEU A 31 1.127 11.850 3.772 1.00 0.00 O ATOM 356 CB LEU A 31 -1.329 14.018 3.395 1.00 0.00 C ATOM 357 CG LEU A 31 -1.814 15.436 3.695 1.00 0.00 C ATOM 358 CD1 LEU A 31 -3.304 15.438 3.992 1.00 0.00 C ATOM 359 CD2 LEU A 31 -1.036 16.028 4.861 1.00 0.00 C ATOM 0 H LEU A 31 -0.355 14.753 1.184 1.00 0.00 H new ATOM 0 HA LEU A 31 0.751 14.326 3.843 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.920 13.614 2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.523 13.391 4.266 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.639 16.054 2.814 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.632 16.456 4.203 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.848 15.054 3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.503 14.806 4.857 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.394 17.038 5.062 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.181 15.409 5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.024 16.062 4.611 1.00 0.00 H new ATOM 371 N VAL A 32 0.233 11.861 1.707 1.00 0.00 N ATOM 372 CA VAL A 32 0.594 10.469 1.439 1.00 0.00 C ATOM 373 C VAL A 32 2.104 10.303 1.381 1.00 0.00 C ATOM 374 O VAL A 32 2.643 9.272 1.783 1.00 0.00 O ATOM 375 CB VAL A 32 -0.028 9.928 0.131 1.00 0.00 C ATOM 376 CG1 VAL A 32 -1.482 9.548 0.343 1.00 0.00 C ATOM 377 CG2 VAL A 32 0.093 10.946 -0.987 1.00 0.00 C ATOM 0 H VAL A 32 -0.264 12.326 0.947 1.00 0.00 H new ATOM 0 HA VAL A 32 0.188 9.888 2.267 1.00 0.00 H new ATOM 0 HB VAL A 32 0.524 9.034 -0.158 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.899 9.170 -0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.548 8.776 1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.044 10.425 0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.352 10.542 -1.897 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.427 11.861 -0.704 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.145 11.168 -1.165 1.00 0.00 H new ATOM 387 N ILE A 33 2.785 11.322 0.875 1.00 0.00 N ATOM 388 CA ILE A 33 4.236 11.316 0.841 1.00 0.00 C ATOM 389 C ILE A 33 4.784 11.698 2.213 1.00 0.00 C ATOM 390 O ILE A 33 5.689 11.053 2.747 1.00 0.00 O ATOM 391 CB ILE A 33 4.781 12.284 -0.231 1.00 0.00 C ATOM 392 CG1 ILE A 33 4.187 11.947 -1.602 1.00 0.00 C ATOM 393 CG2 ILE A 33 6.297 12.212 -0.285 1.00 0.00 C ATOM 394 CD1 ILE A 33 4.555 12.939 -2.685 1.00 0.00 C ATOM 0 H ILE A 33 2.355 12.160 0.484 1.00 0.00 H new ATOM 0 HA ILE A 33 4.564 10.310 0.581 1.00 0.00 H new ATOM 0 HB ILE A 33 4.489 13.299 0.037 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.525 10.955 -1.901 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.101 11.902 -1.517 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.667 12.900 -1.045 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.709 12.488 0.686 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.604 11.196 -0.534 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.099 12.635 -3.627 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.193 13.930 -2.409 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.639 12.968 -2.799 1.00 0.00 H new ATOM 406 N GLY A 34 4.211 12.743 2.790 1.00 0.00 N ATOM 407 CA GLY A 34 4.574 13.145 4.129 1.00 0.00 C ATOM 408 C GLY A 34 5.599 14.252 4.158 1.00 0.00 C ATOM 409 O GLY A 34 6.697 14.069 4.688 1.00 0.00 O ATOM 0 H GLY A 34 3.496 13.322 2.350 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.679 13.473 4.659 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.965 12.282 4.668 1.00 0.00 H new ATOM 413 N LYS A 35 5.240 15.391 3.565 1.00 0.00 N ATOM 414 CA LYS A 35 6.070 16.600 3.591 1.00 0.00 C ATOM 415 C LYS A 35 7.481 16.341 3.058 1.00 0.00 C ATOM 416 O LYS A 35 8.427 17.054 3.398 1.00 0.00 O ATOM 417 CB LYS A 35 6.138 17.191 5.011 1.00 0.00 C ATOM 418 CG LYS A 35 4.863 17.904 5.459 1.00 0.00 C ATOM 419 CD LYS A 35 3.706 16.941 5.700 1.00 0.00 C ATOM 420 CE LYS A 35 3.928 16.085 6.938 1.00 0.00 C ATOM 421 NZ LYS A 35 3.798 16.867 8.200 1.00 0.00 N ATOM 0 H LYS A 35 4.365 15.503 3.052 1.00 0.00 H new ATOM 0 HA LYS A 35 5.594 17.324 2.930 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.358 16.389 5.715 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.969 17.894 5.059 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.065 18.460 6.375 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.573 18.632 4.701 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.781 17.506 5.811 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.583 16.296 4.830 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.208 15.267 6.945 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.920 15.636 6.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.806 16.218 9.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.594 17.532 8.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.904 17.398 8.189 1.00 0.00 H new ATOM 435 N GLY A 36 7.614 15.320 2.221 1.00 0.00 N ATOM 436 CA GLY A 36 8.906 14.975 1.663 1.00 0.00 C ATOM 437 C GLY A 36 9.053 13.481 1.483 1.00 0.00 C ATOM 438 O GLY A 36 9.385 13.004 0.397 1.00 0.00 O ATOM 0 H GLY A 36 6.845 14.722 1.918 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.032 15.472 0.701 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.696 15.343 2.318 1.00 0.00 H new ATOM 442 N GLY A 37 8.794 12.742 2.548 1.00 0.00 N ATOM 443 CA GLY A 37 8.830 11.293 2.464 1.00 0.00 C ATOM 444 C GLY A 37 8.869 10.605 3.815 1.00 0.00 C ATOM 445 O GLY A 37 9.324 9.467 3.912 1.00 0.00 O ATOM 0 H GLY A 37 8.560 13.115 3.468 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.954 10.948 1.915 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.705 10.993 1.888 1.00 0.00 H new ATOM 449 N GLU A 38 8.383 11.275 4.856 1.00 0.00 N ATOM 450 CA GLU A 38 8.392 10.705 6.195 1.00 0.00 C ATOM 451 C GLU A 38 7.170 9.823 6.420 1.00 0.00 C ATOM 452 O GLU A 38 7.278 8.730 6.968 1.00 0.00 O ATOM 453 CB GLU A 38 8.440 11.811 7.250 1.00 0.00 C ATOM 454 CG GLU A 38 9.743 12.591 7.256 1.00 0.00 C ATOM 455 CD GLU A 38 10.929 11.735 7.649 1.00 0.00 C ATOM 456 OE1 GLU A 38 11.059 11.406 8.848 1.00 0.00 O ATOM 457 OE2 GLU A 38 11.743 11.395 6.769 1.00 0.00 O ATOM 0 H GLU A 38 7.980 12.210 4.796 1.00 0.00 H new ATOM 0 HA GLU A 38 9.286 10.088 6.290 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.614 12.501 7.078 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.287 11.369 8.235 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.915 13.012 6.266 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.658 13.429 7.948 1.00 0.00 H new ATOM 464 N THR A 39 6.013 10.302 5.984 1.00 0.00 N ATOM 465 CA THR A 39 4.759 9.590 6.196 1.00 0.00 C ATOM 466 C THR A 39 4.723 8.277 5.418 1.00 0.00 C ATOM 467 O THR A 39 4.504 7.218 6.006 1.00 0.00 O ATOM 468 CB THR A 39 3.554 10.463 5.808 1.00 0.00 C ATOM 469 OG1 THR A 39 3.591 11.678 6.565 1.00 0.00 O ATOM 470 CG2 THR A 39 2.239 9.741 6.073 1.00 0.00 C ATOM 0 H THR A 39 5.916 11.183 5.480 1.00 0.00 H new ATOM 0 HA THR A 39 4.697 9.360 7.260 1.00 0.00 H new ATOM 0 HB THR A 39 3.614 10.679 4.741 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.826 12.239 6.320 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.407 10.385 5.788 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.204 8.822 5.488 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.164 9.499 7.133 1.00 0.00 H new ATOM 478 N ILE A 40 4.964 8.345 4.107 1.00 0.00 N ATOM 479 CA ILE A 40 4.976 7.144 3.264 1.00 0.00 C ATOM 480 C ILE A 40 5.979 6.123 3.802 1.00 0.00 C ATOM 481 O ILE A 40 5.779 4.910 3.707 1.00 0.00 O ATOM 482 CB ILE A 40 5.316 7.490 1.792 1.00 0.00 C ATOM 483 CG1 ILE A 40 5.321 6.228 0.915 1.00 0.00 C ATOM 484 CG2 ILE A 40 6.654 8.214 1.700 1.00 0.00 C ATOM 485 CD1 ILE A 40 5.721 6.484 -0.526 1.00 0.00 C ATOM 0 H ILE A 40 5.153 9.214 3.607 1.00 0.00 H new ATOM 0 HA ILE A 40 3.975 6.713 3.291 1.00 0.00 H new ATOM 0 HB ILE A 40 4.540 8.158 1.418 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.006 5.499 1.348 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.327 5.781 0.932 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.871 8.446 0.657 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.608 9.138 2.276 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.441 7.576 2.101 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.701 5.546 -1.081 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.023 7.188 -0.978 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.727 6.902 -0.556 1.00 0.00 H new ATOM 497 N LYS A 41 7.038 6.641 4.397 1.00 0.00 N ATOM 498 CA LYS A 41 8.076 5.838 5.014 1.00 0.00 C ATOM 499 C LYS A 41 7.505 5.019 6.170 1.00 0.00 C ATOM 500 O LYS A 41 7.800 3.832 6.313 1.00 0.00 O ATOM 501 CB LYS A 41 9.152 6.785 5.521 1.00 0.00 C ATOM 502 CG LYS A 41 10.423 6.123 6.001 1.00 0.00 C ATOM 503 CD LYS A 41 11.415 7.177 6.459 1.00 0.00 C ATOM 504 CE LYS A 41 12.776 6.589 6.779 1.00 0.00 C ATOM 505 NZ LYS A 41 13.760 7.657 7.092 1.00 0.00 N ATOM 0 H LYS A 41 7.203 7.645 4.466 1.00 0.00 H new ATOM 0 HA LYS A 41 8.493 5.139 4.289 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.405 7.482 4.722 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.738 7.374 6.339 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.200 5.440 6.821 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.858 5.526 5.199 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.523 7.933 5.681 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.023 7.681 7.342 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.691 5.909 7.626 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.130 6.001 5.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.682 7.227 7.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.856 8.291 6.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.431 8.201 7.915 1.00 0.00 H new ATOM 519 N GLN A 42 6.669 5.664 6.974 1.00 0.00 N ATOM 520 CA GLN A 42 6.077 5.035 8.147 1.00 0.00 C ATOM 521 C GLN A 42 5.015 4.022 7.744 1.00 0.00 C ATOM 522 O GLN A 42 4.957 2.921 8.288 1.00 0.00 O ATOM 523 CB GLN A 42 5.427 6.086 9.054 1.00 0.00 C ATOM 524 CG GLN A 42 6.327 7.257 9.412 1.00 0.00 C ATOM 525 CD GLN A 42 7.668 6.838 9.988 1.00 0.00 C ATOM 526 OE1 GLN A 42 7.790 5.795 10.630 1.00 0.00 O ATOM 527 NE2 GLN A 42 8.685 7.653 9.758 1.00 0.00 N ATOM 0 H GLN A 42 6.384 6.633 6.832 1.00 0.00 H new ATOM 0 HA GLN A 42 6.879 4.528 8.683 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.533 6.469 8.561 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.101 5.601 9.974 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.496 7.860 8.520 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.813 7.892 10.134 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.542 8.508 9.221 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.612 7.426 10.118 1.00 0.00 H new ATOM 536 N LEU A 43 4.185 4.415 6.785 1.00 0.00 N ATOM 537 CA LEU A 43 3.019 3.633 6.383 1.00 0.00 C ATOM 538 C LEU A 43 3.397 2.208 5.997 1.00 0.00 C ATOM 539 O LEU A 43 2.796 1.241 6.475 1.00 0.00 O ATOM 540 CB LEU A 43 2.325 4.309 5.202 1.00 0.00 C ATOM 541 CG LEU A 43 2.020 5.796 5.392 1.00 0.00 C ATOM 542 CD1 LEU A 43 1.483 6.400 4.110 1.00 0.00 C ATOM 543 CD2 LEU A 43 1.032 5.998 6.532 1.00 0.00 C ATOM 0 H LEU A 43 4.300 5.284 6.264 1.00 0.00 H new ATOM 0 HA LEU A 43 2.345 3.584 7.238 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.951 4.193 4.318 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.390 3.785 5.002 1.00 0.00 H new ATOM 0 HG LEU A 43 2.949 6.305 5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.272 7.458 4.267 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.224 6.291 3.318 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.566 5.886 3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.827 7.062 6.652 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.104 5.473 6.306 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.456 5.604 7.455 1.00 0.00 H new ATOM 555 N GLN A 44 4.398 2.089 5.139 1.00 0.00 N ATOM 556 CA GLN A 44 4.838 0.793 4.638 1.00 0.00 C ATOM 557 C GLN A 44 5.285 -0.117 5.778 1.00 0.00 C ATOM 558 O GLN A 44 5.011 -1.320 5.772 1.00 0.00 O ATOM 559 CB GLN A 44 5.981 0.985 3.643 1.00 0.00 C ATOM 560 CG GLN A 44 5.595 1.825 2.437 1.00 0.00 C ATOM 561 CD GLN A 44 6.795 2.230 1.608 1.00 0.00 C ATOM 562 OE1 GLN A 44 7.202 1.518 0.691 1.00 0.00 O ATOM 563 NE2 GLN A 44 7.365 3.380 1.929 1.00 0.00 N ATOM 0 H GLN A 44 4.926 2.881 4.772 1.00 0.00 H new ATOM 0 HA GLN A 44 3.995 0.316 4.137 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.821 1.458 4.152 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.324 0.008 3.302 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.899 1.263 1.814 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.071 2.719 2.773 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.992 3.937 2.698 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.177 3.710 1.408 1.00 0.00 H new ATOM 572 N GLU A 45 5.950 0.462 6.766 1.00 0.00 N ATOM 573 CA GLU A 45 6.489 -0.315 7.872 1.00 0.00 C ATOM 574 C GLU A 45 5.392 -0.715 8.859 1.00 0.00 C ATOM 575 O GLU A 45 5.347 -1.855 9.321 1.00 0.00 O ATOM 576 CB GLU A 45 7.582 0.474 8.596 1.00 0.00 C ATOM 577 CG GLU A 45 8.699 0.952 7.682 1.00 0.00 C ATOM 578 CD GLU A 45 9.378 -0.180 6.936 1.00 0.00 C ATOM 579 OE1 GLU A 45 10.361 -0.740 7.461 1.00 0.00 O ATOM 580 OE2 GLU A 45 8.939 -0.507 5.814 1.00 0.00 O ATOM 0 H GLU A 45 6.129 1.464 6.825 1.00 0.00 H new ATOM 0 HA GLU A 45 6.921 -1.226 7.457 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.131 1.337 9.085 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.009 -0.150 9.381 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.293 1.663 6.962 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.442 1.487 8.274 1.00 0.00 H new ATOM 587 N ARG A 46 4.498 0.217 9.162 1.00 0.00 N ATOM 588 CA ARG A 46 3.472 -0.011 10.179 1.00 0.00 C ATOM 589 C ARG A 46 2.369 -0.945 9.682 1.00 0.00 C ATOM 590 O ARG A 46 1.813 -1.719 10.458 1.00 0.00 O ATOM 591 CB ARG A 46 2.871 1.318 10.655 1.00 0.00 C ATOM 592 CG ARG A 46 2.235 2.148 9.555 1.00 0.00 C ATOM 593 CD ARG A 46 1.728 3.476 10.089 1.00 0.00 C ATOM 594 NE ARG A 46 2.772 4.223 10.788 1.00 0.00 N ATOM 595 CZ ARG A 46 2.561 5.369 11.436 1.00 0.00 C ATOM 596 NH1 ARG A 46 1.339 5.884 11.508 1.00 0.00 N ATOM 597 NH2 ARG A 46 3.574 5.987 12.027 1.00 0.00 N ATOM 0 H ARG A 46 4.460 1.136 8.721 1.00 0.00 H new ATOM 0 HA ARG A 46 3.961 -0.499 11.022 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.120 1.111 11.417 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.655 1.907 11.131 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.963 2.326 8.764 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.409 1.594 9.109 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.345 4.076 9.263 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.894 3.298 10.768 1.00 0.00 H new ATOM 0 HE ARG A 46 3.719 3.845 10.780 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.556 5.403 11.066 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.184 6.761 12.005 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.511 5.586 11.985 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.417 6.864 12.524 1.00 0.00 H new ATOM 611 N ALA A 47 2.050 -0.879 8.398 1.00 0.00 N ATOM 612 CA ALA A 47 0.979 -1.703 7.853 1.00 0.00 C ATOM 613 C ALA A 47 1.503 -3.047 7.360 1.00 0.00 C ATOM 614 O ALA A 47 0.748 -4.016 7.241 1.00 0.00 O ATOM 615 CB ALA A 47 0.252 -0.971 6.735 1.00 0.00 C ATOM 0 H ALA A 47 2.510 -0.272 7.720 1.00 0.00 H new ATOM 0 HA ALA A 47 0.271 -1.897 8.659 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.544 -1.604 6.343 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.178 -0.048 7.124 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.956 -0.736 5.937 1.00 0.00 H new ATOM 621 N GLY A 48 2.803 -3.105 7.087 1.00 0.00 N ATOM 622 CA GLY A 48 3.399 -4.320 6.565 1.00 0.00 C ATOM 623 C GLY A 48 3.092 -4.502 5.098 1.00 0.00 C ATOM 624 O GLY A 48 3.037 -5.626 4.594 1.00 0.00 O ATOM 0 H GLY A 48 3.454 -2.331 7.218 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.479 -4.288 6.710 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.027 -5.178 7.125 1.00 0.00 H new ATOM 628 N VAL A 49 2.898 -3.389 4.411 1.00 0.00 N ATOM 629 CA VAL A 49 2.530 -3.409 3.005 1.00 0.00 C ATOM 630 C VAL A 49 3.553 -2.661 2.174 1.00 0.00 C ATOM 631 O VAL A 49 4.418 -1.968 2.708 1.00 0.00 O ATOM 632 CB VAL A 49 1.149 -2.762 2.766 1.00 0.00 C ATOM 633 CG1 VAL A 49 0.058 -3.531 3.481 1.00 0.00 C ATOM 634 CG2 VAL A 49 1.151 -1.306 3.204 1.00 0.00 C ATOM 0 H VAL A 49 2.990 -2.454 4.807 1.00 0.00 H new ATOM 0 HA VAL A 49 2.492 -4.457 2.706 1.00 0.00 H new ATOM 0 HB VAL A 49 0.944 -2.798 1.696 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.904 -3.054 3.296 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.032 -4.556 3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.260 -3.538 4.552 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.167 -0.871 3.026 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.387 -1.246 4.266 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.900 -0.756 2.634 1.00 0.00 H new ATOM 644 N LYS A 50 3.450 -2.810 0.869 1.00 0.00 N ATOM 645 CA LYS A 50 4.247 -2.024 -0.043 1.00 0.00 C ATOM 646 C LYS A 50 3.387 -0.903 -0.595 1.00 0.00 C ATOM 647 O LYS A 50 2.339 -1.154 -1.181 1.00 0.00 O ATOM 648 CB LYS A 50 4.765 -2.899 -1.187 1.00 0.00 C ATOM 649 CG LYS A 50 5.551 -2.132 -2.242 1.00 0.00 C ATOM 650 CD LYS A 50 6.875 -1.626 -1.701 1.00 0.00 C ATOM 651 CE LYS A 50 7.647 -0.840 -2.750 1.00 0.00 C ATOM 652 NZ LYS A 50 9.045 -0.575 -2.320 1.00 0.00 N ATOM 0 H LYS A 50 2.819 -3.472 0.417 1.00 0.00 H new ATOM 0 HA LYS A 50 5.106 -1.609 0.485 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.400 -3.683 -0.773 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.919 -3.393 -1.665 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.732 -2.778 -3.101 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.957 -1.289 -2.596 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.695 -0.994 -0.832 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.476 -2.470 -1.363 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.654 -1.395 -3.688 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.140 0.106 -2.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.540 -0.037 -3.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.038 -0.024 -1.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.536 -1.478 -2.161 1.00 0.00 H new ATOM 666 N MET A 51 3.814 0.328 -0.410 1.00 0.00 N ATOM 667 CA MET A 51 3.079 1.453 -0.955 1.00 0.00 C ATOM 668 C MET A 51 3.949 2.205 -1.934 1.00 0.00 C ATOM 669 O MET A 51 4.973 2.773 -1.560 1.00 0.00 O ATOM 670 CB MET A 51 2.590 2.403 0.148 1.00 0.00 C ATOM 671 CG MET A 51 1.644 1.755 1.147 1.00 0.00 C ATOM 672 SD MET A 51 0.952 2.937 2.319 1.00 0.00 S ATOM 673 CE MET A 51 0.095 4.049 1.207 1.00 0.00 C ATOM 0 H MET A 51 4.657 0.576 0.108 1.00 0.00 H new ATOM 0 HA MET A 51 2.200 1.061 -1.467 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.454 2.797 0.684 1.00 0.00 H new ATOM 0 HB3 MET A 51 2.087 3.252 -0.315 1.00 0.00 H new ATOM 0 HG2 MET A 51 0.832 1.267 0.608 1.00 0.00 H new ATOM 0 HG3 MET A 51 2.177 0.977 1.694 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.570 5.029 1.235 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.138 3.654 0.192 1.00 0.00 H new ATOM 0 HE3 MET A 51 -0.946 4.142 1.516 1.00 0.00 H new ATOM 683 N ILE A 52 3.551 2.193 -3.189 1.00 0.00 N ATOM 684 CA ILE A 52 4.266 2.934 -4.202 1.00 0.00 C ATOM 685 C ILE A 52 3.470 4.167 -4.600 1.00 0.00 C ATOM 686 O ILE A 52 2.406 4.073 -5.219 1.00 0.00 O ATOM 687 CB ILE A 52 4.593 2.068 -5.446 1.00 0.00 C ATOM 688 CG1 ILE A 52 5.258 2.922 -6.534 1.00 0.00 C ATOM 689 CG2 ILE A 52 3.343 1.376 -5.976 1.00 0.00 C ATOM 690 CD1 ILE A 52 5.705 2.132 -7.747 1.00 0.00 C ATOM 0 H ILE A 52 2.738 1.679 -3.530 1.00 0.00 H new ATOM 0 HA ILE A 52 5.220 3.242 -3.774 1.00 0.00 H new ATOM 0 HB ILE A 52 5.296 1.291 -5.147 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.559 3.695 -6.853 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.122 3.431 -6.106 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.602 0.776 -6.848 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.928 0.731 -5.201 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.604 2.126 -6.258 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.165 2.805 -8.470 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.429 1.377 -7.443 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.843 1.645 -8.202 1.00 0.00 H new ATOM 702 N LEU A 53 3.962 5.322 -4.191 1.00 0.00 N ATOM 703 CA LEU A 53 3.338 6.577 -4.552 1.00 0.00 C ATOM 704 C LEU A 53 3.797 6.984 -5.944 1.00 0.00 C ATOM 705 O LEU A 53 4.924 7.450 -6.126 1.00 0.00 O ATOM 706 CB LEU A 53 3.682 7.666 -3.522 1.00 0.00 C ATOM 707 CG LEU A 53 2.616 7.925 -2.452 1.00 0.00 C ATOM 708 CD1 LEU A 53 1.294 8.301 -3.102 1.00 0.00 C ATOM 709 CD2 LEU A 53 2.443 6.714 -1.551 1.00 0.00 C ATOM 0 H LEU A 53 4.794 5.415 -3.608 1.00 0.00 H new ATOM 0 HA LEU A 53 2.255 6.454 -4.557 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.611 7.390 -3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.871 8.598 -4.055 1.00 0.00 H new ATOM 0 HG LEU A 53 2.950 8.759 -1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.547 8.482 -2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.425 9.204 -3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.960 7.487 -3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.681 6.925 -0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.136 5.856 -2.149 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.388 6.491 -1.056 1.00 0.00 H new ATOM 721 N ILE A 54 2.928 6.778 -6.926 1.00 0.00 N ATOM 722 CA ILE A 54 3.239 7.117 -8.302 1.00 0.00 C ATOM 723 C ILE A 54 2.989 8.600 -8.533 1.00 0.00 C ATOM 724 O ILE A 54 1.858 9.036 -8.749 1.00 0.00 O ATOM 725 CB ILE A 54 2.407 6.273 -9.293 1.00 0.00 C ATOM 726 CG1 ILE A 54 2.663 4.778 -9.056 1.00 0.00 C ATOM 727 CG2 ILE A 54 2.736 6.653 -10.729 1.00 0.00 C ATOM 728 CD1 ILE A 54 1.832 3.865 -9.933 1.00 0.00 C ATOM 0 H ILE A 54 2.000 6.376 -6.790 1.00 0.00 H new ATOM 0 HA ILE A 54 4.291 6.894 -8.480 1.00 0.00 H new ATOM 0 HB ILE A 54 1.350 6.477 -9.123 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.719 4.569 -9.228 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.459 4.546 -8.011 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.140 6.047 -11.411 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.510 7.707 -10.887 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.795 6.477 -10.918 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.071 2.826 -9.706 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.773 4.044 -9.745 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.053 4.067 -10.981 1.00 0.00 H new ATOM 740 N GLN A 55 4.060 9.367 -8.469 1.00 0.00 N ATOM 741 CA GLN A 55 3.978 10.813 -8.519 1.00 0.00 C ATOM 742 C GLN A 55 4.172 11.315 -9.940 1.00 0.00 C ATOM 743 O GLN A 55 3.483 12.229 -10.387 1.00 0.00 O ATOM 744 CB GLN A 55 5.046 11.415 -7.607 1.00 0.00 C ATOM 745 CG GLN A 55 5.003 10.879 -6.187 1.00 0.00 C ATOM 746 CD GLN A 55 6.194 11.311 -5.357 1.00 0.00 C ATOM 747 OE1 GLN A 55 6.750 12.393 -5.552 1.00 0.00 O ATOM 748 NE2 GLN A 55 6.600 10.463 -4.426 1.00 0.00 N ATOM 0 H GLN A 55 5.010 9.006 -8.381 1.00 0.00 H new ATOM 0 HA GLN A 55 2.989 11.119 -8.179 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.030 11.216 -8.032 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.923 12.498 -7.582 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.087 11.219 -5.703 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.963 9.790 -6.216 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.112 9.577 -4.296 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.401 10.696 -3.838 1.00 0.00 H new ATOM 757 N ASP A 56 5.112 10.710 -10.651 1.00 0.00 N ATOM 758 CA ASP A 56 5.449 11.157 -11.996 1.00 0.00 C ATOM 759 C ASP A 56 5.346 10.012 -12.997 1.00 0.00 C ATOM 760 O ASP A 56 5.580 10.198 -14.190 1.00 0.00 O ATOM 761 CB ASP A 56 6.862 11.749 -12.027 1.00 0.00 C ATOM 762 CG ASP A 56 7.951 10.700 -11.887 1.00 0.00 C ATOM 763 OD1 ASP A 56 7.907 9.911 -10.919 1.00 0.00 O ATOM 764 OD2 ASP A 56 8.861 10.665 -12.743 1.00 0.00 O ATOM 0 H ASP A 56 5.654 9.911 -10.321 1.00 0.00 H new ATOM 0 HA ASP A 56 4.733 11.929 -12.279 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.003 12.288 -12.964 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.962 12.477 -11.222 1.00 0.00 H new ATOM 769 N GLY A 57 4.978 8.833 -12.514 1.00 0.00 N ATOM 770 CA GLY A 57 4.888 7.671 -13.384 1.00 0.00 C ATOM 771 C GLY A 57 3.510 7.508 -14.002 1.00 0.00 C ATOM 772 O GLY A 57 3.050 6.385 -14.218 1.00 0.00 O ATOM 0 H GLY A 57 4.740 8.658 -11.538 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.630 7.758 -14.178 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.135 6.775 -12.814 1.00 0.00 H new ATOM 776 N SER A 58 2.856 8.626 -14.290 1.00 0.00 N ATOM 777 CA SER A 58 1.513 8.616 -14.851 1.00 0.00 C ATOM 778 C SER A 58 1.163 10.011 -15.347 1.00 0.00 C ATOM 779 O SER A 58 1.727 10.998 -14.875 1.00 0.00 O ATOM 780 CB SER A 58 0.500 8.174 -13.792 1.00 0.00 C ATOM 781 OG SER A 58 -0.794 8.038 -14.348 1.00 0.00 O ATOM 0 H SER A 58 3.240 9.560 -14.142 1.00 0.00 H new ATOM 0 HA SER A 58 1.479 7.913 -15.683 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.814 7.225 -13.358 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.476 8.902 -12.981 1.00 0.00 H new ATOM 0 HG SER A 58 -1.421 7.753 -13.651 1.00 0.00 H new ATOM 787 N GLN A 59 0.234 10.098 -16.292 1.00 0.00 N ATOM 788 CA GLN A 59 -0.158 11.383 -16.846 1.00 0.00 C ATOM 789 C GLN A 59 -1.444 11.872 -16.199 1.00 0.00 C ATOM 790 O GLN A 59 -1.909 12.974 -16.476 1.00 0.00 O ATOM 791 CB GLN A 59 -0.316 11.302 -18.363 1.00 0.00 C ATOM 792 CG GLN A 59 0.951 10.873 -19.075 1.00 0.00 C ATOM 793 CD GLN A 59 0.872 11.053 -20.579 1.00 0.00 C ATOM 794 OE1 GLN A 59 0.156 12.078 -21.018 1.00 0.00 O flip ATOM 795 NE2 GLN A 59 1.463 10.289 -21.338 1.00 0.00 N flip ATOM 0 H GLN A 59 -0.258 9.297 -16.687 1.00 0.00 H new ATOM 0 HA GLN A 59 0.634 12.100 -16.629 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.114 10.599 -18.601 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.625 12.276 -18.742 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.792 11.449 -18.689 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.152 9.826 -18.849 1.00 0.00 H new ATOM 0 HE21 GLN A 59 2.004 9.511 -20.960 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.413 10.432 -22.347 1.00 0.00 H new ATOM 804 N ASN A 60 -2.018 11.054 -15.321 1.00 0.00 N ATOM 805 CA ASN A 60 -3.141 11.503 -14.508 1.00 0.00 C ATOM 806 C ASN A 60 -2.602 12.185 -13.266 1.00 0.00 C ATOM 807 O ASN A 60 -3.332 12.460 -12.323 1.00 0.00 O ATOM 808 CB ASN A 60 -4.072 10.354 -14.099 1.00 0.00 C ATOM 809 CG ASN A 60 -4.669 9.617 -15.283 1.00 0.00 C ATOM 810 OD1 ASN A 60 -4.096 8.649 -15.783 1.00 0.00 O ATOM 811 ND2 ASN A 60 -5.830 10.068 -15.739 1.00 0.00 N ATOM 0 H ASN A 60 -1.728 10.090 -15.156 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.732 12.194 -15.109 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.517 9.647 -13.482 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.878 10.751 -13.482 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.280 9.609 -16.531 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.273 10.873 -15.297 1.00 0.00 H new ATOM 818 N THR A 61 -1.306 12.457 -13.282 1.00 0.00 N ATOM 819 CA THR A 61 -0.652 13.157 -12.194 1.00 0.00 C ATOM 820 C THR A 61 -1.194 14.582 -12.080 1.00 0.00 C ATOM 821 O THR A 61 -1.096 15.220 -11.033 1.00 0.00 O ATOM 822 CB THR A 61 0.881 13.183 -12.399 1.00 0.00 C ATOM 823 OG1 THR A 61 1.529 13.728 -11.244 1.00 0.00 O ATOM 824 CG2 THR A 61 1.261 13.999 -13.629 1.00 0.00 C ATOM 0 H THR A 61 -0.683 12.199 -14.047 1.00 0.00 H new ATOM 0 HA THR A 61 -0.864 12.623 -11.268 1.00 0.00 H new ATOM 0 HB THR A 61 1.212 12.155 -12.550 1.00 0.00 H new ATOM 0 HG1 THR A 61 2.345 13.219 -11.056 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.345 13.998 -13.746 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.800 13.560 -14.514 1.00 0.00 H new ATOM 0 HG23 THR A 61 0.910 15.024 -13.508 1.00 0.00 H new ATOM 832 N ASN A 62 -1.790 15.064 -13.169 1.00 0.00 N ATOM 833 CA ASN A 62 -2.373 16.401 -13.203 1.00 0.00 C ATOM 834 C ASN A 62 -3.649 16.458 -12.367 1.00 0.00 C ATOM 835 O ASN A 62 -4.098 17.537 -11.974 1.00 0.00 O ATOM 836 CB ASN A 62 -2.684 16.817 -14.644 1.00 0.00 C ATOM 837 CG ASN A 62 -1.450 16.865 -15.528 1.00 0.00 C ATOM 838 OD1 ASN A 62 -1.080 15.869 -16.147 1.00 0.00 O ATOM 839 ND2 ASN A 62 -0.812 18.024 -15.600 1.00 0.00 N ATOM 0 H ASN A 62 -1.881 14.545 -14.042 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.644 17.093 -12.781 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.403 16.118 -15.071 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.159 17.798 -14.639 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.019 18.113 -16.185 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.152 18.827 -15.070 1.00 0.00 H new ATOM 846 N VAL A 63 -4.233 15.296 -12.099 1.00 0.00 N ATOM 847 CA VAL A 63 -5.463 15.220 -11.317 1.00 0.00 C ATOM 848 C VAL A 63 -5.236 14.561 -9.977 1.00 0.00 C ATOM 849 O VAL A 63 -5.410 15.175 -8.926 1.00 0.00 O ATOM 850 CB VAL A 63 -6.585 14.453 -12.050 1.00 0.00 C ATOM 851 CG1 VAL A 63 -7.393 15.387 -12.936 1.00 0.00 C ATOM 852 CG2 VAL A 63 -6.032 13.299 -12.867 1.00 0.00 C ATOM 0 H VAL A 63 -3.875 14.393 -12.411 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.776 16.254 -11.172 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.245 14.039 -11.288 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.177 14.822 -13.441 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.845 16.168 -12.325 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.737 15.842 -13.679 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.851 12.783 -13.368 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.334 13.682 -13.612 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.513 12.602 -12.208 1.00 0.00 H new ATOM 862 N ASP A 64 -4.832 13.318 -10.036 1.00 0.00 N ATOM 863 CA ASP A 64 -4.710 12.482 -8.863 1.00 0.00 C ATOM 864 C ASP A 64 -3.393 11.739 -8.900 1.00 0.00 C ATOM 865 O ASP A 64 -2.526 12.025 -9.723 1.00 0.00 O ATOM 866 CB ASP A 64 -5.865 11.475 -8.778 1.00 0.00 C ATOM 867 CG ASP A 64 -7.214 12.131 -8.558 1.00 0.00 C ATOM 868 OD1 ASP A 64 -7.441 12.694 -7.468 1.00 0.00 O ATOM 869 OD2 ASP A 64 -8.064 12.069 -9.472 1.00 0.00 O ATOM 0 H ASP A 64 -4.576 12.851 -10.906 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.748 13.124 -7.983 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.898 10.891 -9.698 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.671 10.777 -7.964 1.00 0.00 H new ATOM 874 N LYS A 65 -3.250 10.785 -8.006 1.00 0.00 N ATOM 875 CA LYS A 65 -1.996 10.077 -7.839 1.00 0.00 C ATOM 876 C LYS A 65 -2.242 8.591 -7.669 1.00 0.00 C ATOM 877 O LYS A 65 -2.870 8.169 -6.698 1.00 0.00 O ATOM 878 CB LYS A 65 -1.263 10.622 -6.619 1.00 0.00 C ATOM 879 CG LYS A 65 -1.150 12.138 -6.638 1.00 0.00 C ATOM 880 CD LYS A 65 -0.136 12.618 -7.662 1.00 0.00 C ATOM 881 CE LYS A 65 -0.327 14.097 -7.960 1.00 0.00 C ATOM 882 NZ LYS A 65 0.743 14.632 -8.838 1.00 0.00 N ATOM 0 H LYS A 65 -3.993 10.479 -7.378 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.386 10.227 -8.730 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.787 10.311 -5.715 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.265 10.187 -6.574 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.125 12.572 -6.861 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.862 12.493 -5.648 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.874 12.445 -7.289 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.240 12.041 -8.581 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.296 14.248 -8.436 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.341 14.656 -7.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.472 15.576 -9.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.631 14.700 -8.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.877 13.995 -9.649 1.00 0.00 H new ATOM 896 N PRO A 66 -1.786 7.792 -8.641 1.00 0.00 N ATOM 897 CA PRO A 66 -1.864 6.332 -8.579 1.00 0.00 C ATOM 898 C PRO A 66 -1.133 5.775 -7.363 1.00 0.00 C ATOM 899 O PRO A 66 0.082 5.929 -7.223 1.00 0.00 O ATOM 900 CB PRO A 66 -1.176 5.882 -9.871 1.00 0.00 C ATOM 901 CG PRO A 66 -1.284 7.052 -10.782 1.00 0.00 C ATOM 902 CD PRO A 66 -1.169 8.254 -9.896 1.00 0.00 C ATOM 0 HA PRO A 66 -2.891 5.978 -8.487 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.135 5.614 -9.693 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.664 5.004 -10.294 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.494 7.040 -11.533 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.233 7.047 -11.318 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.131 8.552 -9.751 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.693 9.115 -10.312 1.00 0.00 H new ATOM 910 N LEU A 67 -1.879 5.139 -6.482 1.00 0.00 N ATOM 911 CA LEU A 67 -1.305 4.559 -5.283 1.00 0.00 C ATOM 912 C LEU A 67 -1.563 3.067 -5.252 1.00 0.00 C ATOM 913 O LEU A 67 -2.709 2.636 -5.164 1.00 0.00 O ATOM 914 CB LEU A 67 -1.896 5.216 -4.032 1.00 0.00 C ATOM 915 CG LEU A 67 -1.529 4.532 -2.711 1.00 0.00 C ATOM 916 CD1 LEU A 67 -0.025 4.537 -2.499 1.00 0.00 C ATOM 917 CD2 LEU A 67 -2.239 5.199 -1.543 1.00 0.00 C ATOM 0 H LEU A 67 -2.887 5.010 -6.574 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.229 4.736 -5.295 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.563 6.253 -3.992 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.982 5.233 -4.126 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.860 3.495 -2.764 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.211 4.046 -1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.459 4.003 -3.317 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.335 5.565 -2.473 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.964 4.697 -0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.945 6.247 -1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.317 5.131 -1.686 1.00 0.00 H new ATOM 929 N ARG A 68 -0.502 2.282 -5.337 1.00 0.00 N ATOM 930 CA ARG A 68 -0.632 0.838 -5.269 1.00 0.00 C ATOM 931 C ARG A 68 -0.229 0.331 -3.897 1.00 0.00 C ATOM 932 O ARG A 68 0.951 0.348 -3.538 1.00 0.00 O ATOM 933 CB ARG A 68 0.209 0.155 -6.352 1.00 0.00 C ATOM 934 CG ARG A 68 -0.261 0.469 -7.756 1.00 0.00 C ATOM 935 CD ARG A 68 0.437 -0.378 -8.803 1.00 0.00 C ATOM 936 NE ARG A 68 -0.040 -0.054 -10.144 1.00 0.00 N ATOM 937 CZ ARG A 68 0.622 -0.329 -11.264 1.00 0.00 C ATOM 938 NH1 ARG A 68 1.783 -0.973 -11.224 1.00 0.00 N ATOM 939 NH2 ARG A 68 0.108 0.027 -12.431 1.00 0.00 N ATOM 0 H ARG A 68 0.454 2.619 -5.453 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.679 0.589 -5.443 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.249 0.465 -6.246 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.181 -0.924 -6.199 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.337 0.308 -7.821 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.084 1.523 -7.968 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.514 -0.216 -8.748 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.262 -1.434 -8.597 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.942 0.415 -10.228 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.175 -1.262 -10.328 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.282 -1.179 -12.089 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.790 0.509 -12.467 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.610 -0.181 -13.294 1.00 0.00 H new ATOM 953 N ILE A 69 -1.219 -0.078 -3.120 1.00 0.00 N ATOM 954 CA ILE A 69 -0.963 -0.714 -1.842 1.00 0.00 C ATOM 955 C ILE A 69 -0.853 -2.213 -2.061 1.00 0.00 C ATOM 956 O ILE A 69 -1.854 -2.888 -2.295 1.00 0.00 O ATOM 957 CB ILE A 69 -2.066 -0.437 -0.789 1.00 0.00 C ATOM 958 CG1 ILE A 69 -2.375 1.057 -0.673 1.00 0.00 C ATOM 959 CG2 ILE A 69 -1.645 -0.987 0.566 1.00 0.00 C ATOM 960 CD1 ILE A 69 -3.352 1.551 -1.716 1.00 0.00 C ATOM 0 H ILE A 69 -2.207 0.020 -3.354 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.037 -0.294 -1.449 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.974 -0.941 -1.120 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.779 1.261 0.318 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.446 1.620 -0.760 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.427 -0.787 1.299 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.486 -2.063 0.489 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.720 -0.506 0.882 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.526 2.618 -1.575 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.941 1.378 -2.711 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.295 1.013 -1.615 1.00 0.00 H new ATOM 972 N ILE A 70 0.365 -2.716 -2.022 1.00 0.00 N ATOM 973 CA ILE A 70 0.618 -4.115 -2.310 1.00 0.00 C ATOM 974 C ILE A 70 0.757 -4.907 -1.016 1.00 0.00 C ATOM 975 O ILE A 70 1.584 -4.583 -0.160 1.00 0.00 O ATOM 976 CB ILE A 70 1.898 -4.295 -3.153 1.00 0.00 C ATOM 977 CG1 ILE A 70 2.057 -3.140 -4.150 1.00 0.00 C ATOM 978 CG2 ILE A 70 1.850 -5.625 -3.888 1.00 0.00 C ATOM 979 CD1 ILE A 70 3.262 -3.276 -5.057 1.00 0.00 C ATOM 0 H ILE A 70 1.199 -2.175 -1.793 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.232 -4.488 -2.881 1.00 0.00 H new ATOM 0 HB ILE A 70 2.759 -4.289 -2.485 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.158 -3.075 -4.763 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.134 -2.204 -3.597 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.756 -5.746 -4.481 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.778 -6.438 -3.165 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.981 -5.646 -4.545 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.307 -2.422 -5.733 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.169 -3.309 -4.454 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.178 -4.195 -5.638 1.00 0.00 H new ATOM 991 N GLY A 71 -0.064 -5.931 -0.871 1.00 0.00 N ATOM 992 CA GLY A 71 -0.023 -6.757 0.312 1.00 0.00 C ATOM 993 C GLY A 71 -1.121 -7.800 0.331 1.00 0.00 C ATOM 994 O GLY A 71 -1.154 -8.697 -0.510 1.00 0.00 O ATOM 0 H GLY A 71 -0.765 -6.207 -1.559 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.946 -7.253 0.371 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.112 -6.125 1.196 1.00 0.00 H new ATOM 998 N ASP A 72 -2.025 -7.654 1.285 1.00 0.00 N ATOM 999 CA ASP A 72 -3.123 -8.591 1.500 1.00 0.00 C ATOM 1000 C ASP A 72 -4.401 -7.795 1.708 1.00 0.00 C ATOM 1001 O ASP A 72 -4.317 -6.695 2.246 1.00 0.00 O ATOM 1002 CB ASP A 72 -2.827 -9.448 2.739 1.00 0.00 C ATOM 1003 CG ASP A 72 -3.998 -10.310 3.180 1.00 0.00 C ATOM 1004 OD1 ASP A 72 -4.834 -9.824 3.962 1.00 0.00 O ATOM 1005 OD2 ASP A 72 -4.073 -11.481 2.762 1.00 0.00 O ATOM 0 H ASP A 72 -2.020 -6.873 1.942 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.236 -9.249 0.638 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.973 -10.091 2.529 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.539 -8.794 3.562 1.00 0.00 H new ATOM 1010 N PRO A 73 -5.584 -8.293 1.284 1.00 0.00 N ATOM 1011 CA PRO A 73 -6.842 -7.536 1.392 1.00 0.00 C ATOM 1012 C PRO A 73 -6.999 -6.865 2.750 1.00 0.00 C ATOM 1013 O PRO A 73 -7.491 -5.738 2.856 1.00 0.00 O ATOM 1014 CB PRO A 73 -7.908 -8.611 1.200 1.00 0.00 C ATOM 1015 CG PRO A 73 -7.263 -9.619 0.314 1.00 0.00 C ATOM 1016 CD PRO A 73 -5.801 -9.625 0.681 1.00 0.00 C ATOM 0 HA PRO A 73 -6.897 -6.723 0.668 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -8.205 -9.051 2.152 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.809 -8.200 0.744 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.705 -10.605 0.459 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.400 -9.359 -0.736 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.568 -10.425 1.384 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.169 -9.776 -0.194 1.00 0.00 H new ATOM 1024 N TYR A 74 -6.528 -7.553 3.779 1.00 0.00 N ATOM 1025 CA TYR A 74 -6.587 -7.062 5.140 1.00 0.00 C ATOM 1026 C TYR A 74 -5.741 -5.799 5.307 1.00 0.00 C ATOM 1027 O TYR A 74 -6.271 -4.722 5.586 1.00 0.00 O ATOM 1028 CB TYR A 74 -6.100 -8.172 6.074 1.00 0.00 C ATOM 1029 CG TYR A 74 -6.035 -7.825 7.545 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -7.182 -7.790 8.321 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -4.816 -7.578 8.162 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -7.119 -7.507 9.670 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -4.744 -7.302 9.512 1.00 0.00 C ATOM 1034 CZ TYR A 74 -5.898 -7.271 10.262 1.00 0.00 C ATOM 1035 OH TYR A 74 -5.831 -7.007 11.611 1.00 0.00 O ATOM 0 H TYR A 74 -6.093 -8.471 3.689 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.614 -6.793 5.388 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.756 -9.034 5.954 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.106 -8.481 5.750 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.140 -7.987 7.863 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.909 -7.602 7.576 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.023 -7.471 10.259 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.788 -7.111 9.977 1.00 0.00 H new ATOM 0 HH TYR A 74 -4.897 -6.864 11.870 1.00 0.00 H new ATOM 1045 N LYS A 75 -4.431 -5.922 5.098 1.00 0.00 N ATOM 1046 CA LYS A 75 -3.520 -4.798 5.317 1.00 0.00 C ATOM 1047 C LYS A 75 -3.626 -3.755 4.216 1.00 0.00 C ATOM 1048 O LYS A 75 -3.412 -2.577 4.466 1.00 0.00 O ATOM 1049 CB LYS A 75 -2.063 -5.252 5.474 1.00 0.00 C ATOM 1050 CG LYS A 75 -1.627 -6.367 4.537 1.00 0.00 C ATOM 1051 CD LYS A 75 -0.172 -6.749 4.790 1.00 0.00 C ATOM 1052 CE LYS A 75 0.306 -7.853 3.861 1.00 0.00 C ATOM 1053 NZ LYS A 75 1.747 -8.164 4.070 1.00 0.00 N ATOM 0 H LYS A 75 -3.979 -6.780 4.780 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.833 -4.339 6.255 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.412 -4.392 5.316 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.911 -5.583 6.501 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.266 -7.238 4.679 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.749 -6.047 3.502 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.460 -5.870 4.661 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.059 -7.074 5.824 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.288 -8.752 4.028 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.145 -7.552 2.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.131 -8.620 3.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.269 -7.284 4.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.849 -8.806 4.882 1.00 0.00 H new ATOM 1067 N VAL A 76 -3.960 -4.177 3.005 1.00 0.00 N ATOM 1068 CA VAL A 76 -4.135 -3.236 1.907 1.00 0.00 C ATOM 1069 C VAL A 76 -5.286 -2.287 2.215 1.00 0.00 C ATOM 1070 O VAL A 76 -5.209 -1.090 1.937 1.00 0.00 O ATOM 1071 CB VAL A 76 -4.388 -3.955 0.562 1.00 0.00 C ATOM 1072 CG1 VAL A 76 -4.767 -2.964 -0.527 1.00 0.00 C ATOM 1073 CG2 VAL A 76 -3.155 -4.737 0.140 1.00 0.00 C ATOM 0 H VAL A 76 -4.114 -5.155 2.759 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.209 -2.670 1.807 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.220 -4.645 0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -4.939 -3.498 -1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.676 -2.436 -0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.958 -2.246 -0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.349 -5.238 -0.809 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.313 -4.054 0.025 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.918 -5.481 0.901 1.00 0.00 H new ATOM 1083 N GLN A 77 -6.337 -2.815 2.828 1.00 0.00 N ATOM 1084 CA GLN A 77 -7.476 -1.992 3.188 1.00 0.00 C ATOM 1085 C GLN A 77 -7.206 -1.197 4.450 1.00 0.00 C ATOM 1086 O GLN A 77 -7.612 -0.039 4.549 1.00 0.00 O ATOM 1087 CB GLN A 77 -8.744 -2.824 3.342 1.00 0.00 C ATOM 1088 CG GLN A 77 -9.626 -2.764 2.111 1.00 0.00 C ATOM 1089 CD GLN A 77 -9.940 -1.334 1.702 1.00 0.00 C ATOM 1090 OE1 GLN A 77 -10.119 -1.039 0.521 1.00 0.00 O ATOM 1091 NE2 GLN A 77 -10.010 -0.434 2.679 1.00 0.00 N ATOM 0 H GLN A 77 -6.422 -3.799 3.083 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.633 -1.289 2.370 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.473 -3.861 3.542 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -9.306 -2.469 4.206 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -9.131 -3.276 1.286 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -10.556 -3.298 2.306 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -9.855 -0.718 3.646 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -10.218 0.540 2.461 1.00 0.00 H new ATOM 1100 N GLN A 78 -6.518 -1.805 5.407 1.00 0.00 N ATOM 1101 CA GLN A 78 -6.144 -1.098 6.622 1.00 0.00 C ATOM 1102 C GLN A 78 -5.218 0.061 6.291 1.00 0.00 C ATOM 1103 O GLN A 78 -5.353 1.152 6.835 1.00 0.00 O ATOM 1104 CB GLN A 78 -5.478 -2.036 7.624 1.00 0.00 C ATOM 1105 CG GLN A 78 -6.449 -3.003 8.275 1.00 0.00 C ATOM 1106 CD GLN A 78 -5.792 -3.865 9.329 1.00 0.00 C ATOM 1107 OE1 GLN A 78 -4.612 -4.200 9.229 1.00 0.00 O ATOM 1108 NE2 GLN A 78 -6.549 -4.220 10.352 1.00 0.00 N ATOM 0 H GLN A 78 -6.210 -2.777 5.366 1.00 0.00 H new ATOM 0 HA GLN A 78 -7.053 -0.708 7.079 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.696 -2.602 7.118 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.991 -1.443 8.399 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.266 -2.442 8.728 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.887 -3.643 7.509 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -7.523 -3.920 10.394 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -6.160 -4.794 11.099 1.00 0.00 H new ATOM 1117 N ALA A 79 -4.295 -0.183 5.376 1.00 0.00 N ATOM 1118 CA ALA A 79 -3.383 0.847 4.920 1.00 0.00 C ATOM 1119 C ALA A 79 -4.136 1.915 4.130 1.00 0.00 C ATOM 1120 O ALA A 79 -3.845 3.105 4.237 1.00 0.00 O ATOM 1121 CB ALA A 79 -2.275 0.222 4.084 1.00 0.00 C ATOM 0 H ALA A 79 -4.159 -1.092 4.933 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.929 1.332 5.784 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.592 1.001 3.744 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.728 -0.502 4.688 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.710 -0.281 3.221 1.00 0.00 H new ATOM 1127 N CYS A 80 -5.122 1.480 3.349 1.00 0.00 N ATOM 1128 CA CYS A 80 -5.946 2.394 2.565 1.00 0.00 C ATOM 1129 C CYS A 80 -6.769 3.306 3.464 1.00 0.00 C ATOM 1130 O CYS A 80 -6.739 4.524 3.303 1.00 0.00 O ATOM 1131 CB CYS A 80 -6.868 1.617 1.618 1.00 0.00 C ATOM 1132 SG CYS A 80 -7.999 2.659 0.667 1.00 0.00 S ATOM 0 H CYS A 80 -5.370 0.496 3.243 1.00 0.00 H new ATOM 0 HA CYS A 80 -5.275 3.015 1.972 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -6.256 1.038 0.926 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -7.451 0.904 2.200 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.733 1.912 -0.103 1.00 0.00 H new ATOM 1138 N GLU A 81 -7.494 2.728 4.413 1.00 0.00 N ATOM 1139 CA GLU A 81 -8.307 3.522 5.327 1.00 0.00 C ATOM 1140 C GLU A 81 -7.409 4.379 6.213 1.00 0.00 C ATOM 1141 O GLU A 81 -7.803 5.451 6.665 1.00 0.00 O ATOM 1142 CB GLU A 81 -9.212 2.623 6.180 1.00 0.00 C ATOM 1143 CG GLU A 81 -8.457 1.634 7.052 1.00 0.00 C ATOM 1144 CD GLU A 81 -9.380 0.760 7.867 1.00 0.00 C ATOM 1145 OE1 GLU A 81 -9.931 1.248 8.874 1.00 0.00 O ATOM 1146 OE2 GLU A 81 -9.562 -0.418 7.504 1.00 0.00 O ATOM 0 H GLU A 81 -7.537 1.721 4.570 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.949 4.178 4.739 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.834 3.252 6.817 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.884 2.072 5.522 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.829 1.005 6.422 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -7.792 2.179 7.722 1.00 0.00 H new ATOM 1153 N MET A 82 -6.192 3.900 6.430 1.00 0.00 N ATOM 1154 CA MET A 82 -5.193 4.627 7.207 1.00 0.00 C ATOM 1155 C MET A 82 -4.760 5.897 6.480 1.00 0.00 C ATOM 1156 O MET A 82 -4.770 6.983 7.057 1.00 0.00 O ATOM 1157 CB MET A 82 -3.971 3.739 7.474 1.00 0.00 C ATOM 1158 CG MET A 82 -2.828 4.446 8.186 1.00 0.00 C ATOM 1159 SD MET A 82 -1.394 3.376 8.424 1.00 0.00 S ATOM 1160 CE MET A 82 -1.011 2.932 6.731 1.00 0.00 C ATOM 0 H MET A 82 -5.868 3.000 6.075 1.00 0.00 H new ATOM 0 HA MET A 82 -5.645 4.906 8.159 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.282 2.883 8.072 1.00 0.00 H new ATOM 0 HB3 MET A 82 -3.606 3.348 6.524 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.532 5.322 7.609 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.174 4.805 9.155 1.00 0.00 H new ATOM 0 HE1 MET A 82 -1.247 1.880 6.568 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.602 3.546 6.051 1.00 0.00 H new ATOM 0 HE3 MET A 82 0.049 3.100 6.542 1.00 0.00 H new ATOM 1170 N VAL A 83 -4.396 5.765 5.210 1.00 0.00 N ATOM 1171 CA VAL A 83 -3.911 6.905 4.450 1.00 0.00 C ATOM 1172 C VAL A 83 -5.065 7.809 4.039 1.00 0.00 C ATOM 1173 O VAL A 83 -4.929 9.029 4.016 1.00 0.00 O ATOM 1174 CB VAL A 83 -3.098 6.483 3.204 1.00 0.00 C ATOM 1175 CG1 VAL A 83 -1.885 5.668 3.620 1.00 0.00 C ATOM 1176 CG2 VAL A 83 -3.950 5.700 2.215 1.00 0.00 C ATOM 0 H VAL A 83 -4.428 4.888 4.691 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.238 7.456 5.107 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.763 7.391 2.702 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.321 5.377 2.734 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.251 6.267 4.273 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.212 4.774 4.152 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.344 5.421 1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.332 4.800 2.697 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.786 6.318 1.886 1.00 0.00 H new ATOM 1186 N MET A 84 -6.210 7.203 3.744 1.00 0.00 N ATOM 1187 CA MET A 84 -7.405 7.953 3.387 1.00 0.00 C ATOM 1188 C MET A 84 -7.848 8.804 4.571 1.00 0.00 C ATOM 1189 O MET A 84 -8.343 9.922 4.404 1.00 0.00 O ATOM 1190 CB MET A 84 -8.521 6.996 2.971 1.00 0.00 C ATOM 1191 CG MET A 84 -9.697 7.685 2.308 1.00 0.00 C ATOM 1192 SD MET A 84 -11.067 6.557 1.989 1.00 0.00 S ATOM 1193 CE MET A 84 -12.248 7.674 1.234 1.00 0.00 C ATOM 0 H MET A 84 -6.334 6.191 3.746 1.00 0.00 H new ATOM 0 HA MET A 84 -7.180 8.608 2.545 1.00 0.00 H new ATOM 0 HB2 MET A 84 -8.114 6.252 2.286 1.00 0.00 H new ATOM 0 HB3 MET A 84 -8.875 6.459 3.851 1.00 0.00 H new ATOM 0 HG2 MET A 84 -10.042 8.500 2.944 1.00 0.00 H new ATOM 0 HG3 MET A 84 -9.371 8.130 1.368 1.00 0.00 H new ATOM 0 HE1 MET A 84 -13.155 7.126 0.977 1.00 0.00 H new ATOM 0 HE2 MET A 84 -12.493 8.472 1.934 1.00 0.00 H new ATOM 0 HE3 MET A 84 -11.816 8.104 0.330 1.00 0.00 H new ATOM 1203 N ASP A 85 -7.644 8.261 5.768 1.00 0.00 N ATOM 1204 CA ASP A 85 -7.911 8.988 7.009 1.00 0.00 C ATOM 1205 C ASP A 85 -7.068 10.253 7.081 1.00 0.00 C ATOM 1206 O ASP A 85 -7.583 11.334 7.348 1.00 0.00 O ATOM 1207 CB ASP A 85 -7.622 8.086 8.215 1.00 0.00 C ATOM 1208 CG ASP A 85 -7.516 8.834 9.531 1.00 0.00 C ATOM 1209 OD1 ASP A 85 -6.403 9.285 9.872 1.00 0.00 O ATOM 1210 OD2 ASP A 85 -8.529 8.935 10.252 1.00 0.00 O ATOM 0 H ASP A 85 -7.292 7.314 5.907 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.962 9.277 7.026 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.412 7.339 8.295 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.691 7.547 8.039 1.00 0.00 H new ATOM 1215 N ILE A 86 -5.775 10.108 6.810 1.00 0.00 N ATOM 1216 CA ILE A 86 -4.844 11.230 6.852 1.00 0.00 C ATOM 1217 C ILE A 86 -5.233 12.293 5.829 1.00 0.00 C ATOM 1218 O ILE A 86 -5.148 13.491 6.095 1.00 0.00 O ATOM 1219 CB ILE A 86 -3.398 10.766 6.569 1.00 0.00 C ATOM 1220 CG1 ILE A 86 -3.007 9.638 7.526 1.00 0.00 C ATOM 1221 CG2 ILE A 86 -2.425 11.936 6.693 1.00 0.00 C ATOM 1222 CD1 ILE A 86 -1.627 9.067 7.276 1.00 0.00 C ATOM 0 H ILE A 86 -5.346 9.218 6.557 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.893 11.654 7.855 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.348 10.388 5.548 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.054 10.011 8.549 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.741 8.836 7.445 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.412 11.590 6.490 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.694 12.711 5.975 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.474 12.344 7.702 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.426 8.273 7.995 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.579 8.662 6.265 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.882 9.855 7.387 1.00 0.00 H new ATOM 1234 N LEU A 87 -5.675 11.840 4.663 1.00 0.00 N ATOM 1235 CA LEU A 87 -6.027 12.743 3.575 1.00 0.00 C ATOM 1236 C LEU A 87 -7.270 13.558 3.910 1.00 0.00 C ATOM 1237 O LEU A 87 -7.307 14.767 3.683 1.00 0.00 O ATOM 1238 CB LEU A 87 -6.263 11.957 2.286 1.00 0.00 C ATOM 1239 CG LEU A 87 -5.119 11.038 1.864 1.00 0.00 C ATOM 1240 CD1 LEU A 87 -5.424 10.384 0.527 1.00 0.00 C ATOM 1241 CD2 LEU A 87 -3.807 11.804 1.809 1.00 0.00 C ATOM 0 H LEU A 87 -5.798 10.851 4.446 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.192 13.430 3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.165 11.356 2.406 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.456 12.664 1.479 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.018 10.250 2.610 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.597 9.733 0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.337 9.795 0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.557 11.154 -0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.005 11.131 1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.890 12.617 1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.584 12.215 2.794 1.00 0.00 H new ATOM 1253 N ARG A 88 -8.280 12.899 4.467 1.00 0.00 N ATOM 1254 CA ARG A 88 -9.550 13.560 4.750 1.00 0.00 C ATOM 1255 C ARG A 88 -9.529 14.221 6.124 1.00 0.00 C ATOM 1256 O ARG A 88 -10.533 14.772 6.575 1.00 0.00 O ATOM 1257 CB ARG A 88 -10.715 12.567 4.661 1.00 0.00 C ATOM 1258 CG ARG A 88 -10.786 11.582 5.817 1.00 0.00 C ATOM 1259 CD ARG A 88 -12.030 10.713 5.728 1.00 0.00 C ATOM 1260 NE ARG A 88 -13.247 11.509 5.569 1.00 0.00 N ATOM 1261 CZ ARG A 88 -14.139 11.724 6.534 1.00 0.00 C ATOM 1262 NH1 ARG A 88 -13.930 11.272 7.760 1.00 0.00 N ATOM 1263 NH2 ARG A 88 -15.237 12.411 6.272 1.00 0.00 N ATOM 0 H ARG A 88 -8.246 11.914 4.730 1.00 0.00 H new ATOM 0 HA ARG A 88 -9.694 14.334 3.997 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -11.650 13.125 4.616 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -10.632 12.009 3.728 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -9.898 10.950 5.814 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -10.787 12.126 6.761 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -11.933 10.027 4.886 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -12.111 10.103 6.628 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.424 11.928 4.656 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -13.078 10.753 7.974 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -14.620 11.443 8.491 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -15.399 12.775 5.333 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -15.922 12.578 7.009 1.00 0.00 H new ATOM 1277 N GLU A 89 -8.382 14.165 6.774 1.00 0.00 N ATOM 1278 CA GLU A 89 -8.220 14.761 8.088 1.00 0.00 C ATOM 1279 C GLU A 89 -7.811 16.223 7.936 1.00 0.00 C ATOM 1280 O GLU A 89 -8.694 17.102 8.035 1.00 0.00 O ATOM 1281 CB GLU A 89 -7.175 13.982 8.896 1.00 0.00 C ATOM 1282 CG GLU A 89 -7.125 14.361 10.367 1.00 0.00 C ATOM 1283 CD GLU A 89 -8.408 14.027 11.098 1.00 0.00 C ATOM 1284 OE1 GLU A 89 -9.357 14.838 11.046 1.00 0.00 O ATOM 1285 OE2 GLU A 89 -8.475 12.955 11.740 1.00 0.00 O ATOM 1286 OXT GLU A 89 -6.620 16.486 7.667 1.00 0.00 O ATOM 0 H GLU A 89 -7.544 13.710 6.412 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.166 14.716 8.627 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.387 12.916 8.813 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.192 14.147 8.455 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.294 13.842 10.844 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.928 15.429 10.457 1.00 0.00 H new TER 1293 GLU A 89