USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 960 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 81 MET CE :methyl 166:sc= -0.797 (180deg=-0.168) USER MOD Set 1.2: A 82 THR OG1 : rot -160:sc= -0.353 USER MOD Set 2.1: A 68 GLN : amide:sc=-0.00504 X(o=0.71,f=0.62) USER MOD Set 2.2: A 71 GLN : amide:sc= 0.72 K(o=0.71,f=-0.22) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -151:sc= 0.163 (180deg=-0.0885) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 120:sc= -0.681 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -20:sc= -3.17! USER MOD Single : A 35 ASN : amide:sc= -3.5 K(o=-3.5,f=-4.2!) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.778 F(o=-3.4!,f=-0.78) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 130:sc= -0.687 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 154:sc= -1.92 (180deg=-3.19!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HE2:sc= -24.1! C(o=-24!,f=-26!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HE2:sc= -6! C(o=-6!,f=-5.5!) USER MOD Single : A 85 SER OG : rot -50:sc= 0.73 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 24:sc= -0.0967 USER MOD Single : A 95 GLN : amide:sc= -1.87 K(o=-1.9,f=-4.3!) USER MOD Single : A 96 GLN : amide:sc= -1.46 K(o=-1.5,f=-4.2!) USER MOD Single : A 101 TYR OH : rot -145:sc= -2.44 USER MOD Single : A 104 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0618) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HE2:sc= 0.598 K(o=0.6,f=-2.5!) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.424 -12.956 -2.734 1.00 0.00 N ATOM 2 CA MET A 1 6.053 -13.732 -1.513 1.00 0.00 C ATOM 3 C MET A 1 7.231 -13.890 -0.544 1.00 0.00 C ATOM 4 O MET A 1 7.031 -14.020 0.663 1.00 0.00 O ATOM 5 CB MET A 1 5.527 -15.104 -1.942 1.00 0.00 C ATOM 6 CG MET A 1 4.115 -15.061 -2.506 1.00 0.00 C ATOM 7 SD MET A 1 3.038 -16.327 -1.806 1.00 0.00 S ATOM 8 CE MET A 1 1.464 -15.466 -1.805 1.00 0.00 C ATOM 0 H1 MET A 1 5.586 -12.459 -3.098 1.00 0.00 H new ATOM 0 H2 MET A 1 7.160 -12.262 -2.494 1.00 0.00 H new ATOM 0 H3 MET A 1 6.785 -13.605 -3.462 1.00 0.00 H new ATOM 0 HA MET A 1 5.280 -13.181 -0.978 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.197 -15.523 -2.692 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.547 -15.777 -1.085 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.683 -14.078 -2.315 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.158 -15.186 -3.588 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.692 -16.120 -1.399 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.540 -14.569 -1.190 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.202 -15.185 -2.825 1.00 0.00 H new ATOM 20 N GLN A 2 8.454 -13.879 -1.072 1.00 0.00 N ATOM 21 CA GLN A 2 9.649 -14.021 -0.243 1.00 0.00 C ATOM 22 C GLN A 2 10.735 -13.047 -0.689 1.00 0.00 C ATOM 23 O GLN A 2 10.515 -12.235 -1.583 1.00 0.00 O ATOM 24 CB GLN A 2 10.177 -15.455 -0.310 1.00 0.00 C ATOM 25 CG GLN A 2 10.379 -16.095 1.054 1.00 0.00 C ATOM 26 CD GLN A 2 9.566 -17.363 1.230 1.00 0.00 C ATOM 27 OE1 GLN A 2 9.690 -18.308 0.450 1.00 0.00 O ATOM 28 NE2 GLN A 2 8.725 -17.386 2.257 1.00 0.00 N ATOM 0 H GLN A 2 8.643 -13.773 -2.069 1.00 0.00 H new ATOM 0 HA GLN A 2 9.376 -13.791 0.787 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.480 -16.063 -0.887 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.125 -15.459 -0.848 1.00 0.00 H new ATOM 0 HG2 GLN A 2 11.436 -16.324 1.191 1.00 0.00 H new ATOM 0 HG3 GLN A 2 10.104 -15.381 1.830 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.656 -16.579 2.878 1.00 0.00 H new ATOM 0 HE22 GLN A 2 8.148 -18.210 2.426 1.00 0.00 H new ATOM 37 N ARG A 3 11.903 -13.141 -0.052 1.00 0.00 N ATOM 38 CA ARG A 3 13.055 -12.283 -0.359 1.00 0.00 C ATOM 39 C ARG A 3 12.804 -10.807 -0.012 1.00 0.00 C ATOM 40 O ARG A 3 13.748 -10.019 0.075 1.00 0.00 O ATOM 41 CB ARG A 3 13.471 -12.448 -1.831 1.00 0.00 C ATOM 42 CG ARG A 3 12.829 -11.464 -2.798 1.00 0.00 C ATOM 43 CD ARG A 3 12.958 -11.938 -4.237 1.00 0.00 C ATOM 44 NE ARG A 3 13.229 -10.832 -5.156 1.00 0.00 N ATOM 45 CZ ARG A 3 12.480 -10.541 -6.220 1.00 0.00 C ATOM 46 NH1 ARG A 3 11.407 -11.266 -6.514 1.00 0.00 N ATOM 47 NH2 ARG A 3 12.808 -9.518 -6.997 1.00 0.00 N ATOM 0 H ARG A 3 12.080 -13.815 0.693 1.00 0.00 H new ATOM 0 HA ARG A 3 13.879 -12.610 0.276 1.00 0.00 H new ATOM 0 HB2 ARG A 3 14.554 -12.347 -1.900 1.00 0.00 H new ATOM 0 HB3 ARG A 3 13.225 -13.461 -2.151 1.00 0.00 H new ATOM 0 HG2 ARG A 3 11.776 -11.339 -2.547 1.00 0.00 H new ATOM 0 HG3 ARG A 3 13.300 -10.487 -2.691 1.00 0.00 H new ATOM 0 HD2 ARG A 3 13.761 -12.672 -4.306 1.00 0.00 H new ATOM 0 HD3 ARG A 3 12.039 -12.442 -4.537 1.00 0.00 H new ATOM 0 HE ARG A 3 14.043 -10.246 -4.971 1.00 0.00 H new ATOM 0 HH11 ARG A 3 11.148 -12.056 -5.923 1.00 0.00 H new ATOM 0 HH12 ARG A 3 10.842 -11.033 -7.331 1.00 0.00 H new ATOM 0 HH21 ARG A 3 13.631 -8.956 -6.780 1.00 0.00 H new ATOM 0 HH22 ARG A 3 12.237 -9.293 -7.812 1.00 0.00 H new ATOM 61 N GLY A 4 11.543 -10.434 0.201 1.00 0.00 N ATOM 62 CA GLY A 4 11.219 -9.060 0.548 1.00 0.00 C ATOM 63 C GLY A 4 10.756 -8.263 -0.647 1.00 0.00 C ATOM 64 O GLY A 4 11.571 -7.705 -1.382 1.00 0.00 O ATOM 0 H GLY A 4 10.740 -11.060 0.139 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.440 -9.054 1.310 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.096 -8.581 0.984 1.00 0.00 H new ATOM 68 N ILE A 5 9.448 -8.220 -0.862 1.00 0.00 N ATOM 69 CA ILE A 5 8.899 -7.496 -1.994 1.00 0.00 C ATOM 70 C ILE A 5 7.841 -6.486 -1.560 1.00 0.00 C ATOM 71 O ILE A 5 6.758 -6.856 -1.103 1.00 0.00 O ATOM 72 CB ILE A 5 8.282 -8.465 -3.021 1.00 0.00 C ATOM 73 CG1 ILE A 5 9.163 -9.710 -3.201 1.00 0.00 C ATOM 74 CG2 ILE A 5 8.078 -7.760 -4.353 1.00 0.00 C ATOM 75 CD1 ILE A 5 10.635 -9.405 -3.359 1.00 0.00 C ATOM 0 H ILE A 5 8.753 -8.676 -0.270 1.00 0.00 H new ATOM 0 HA ILE A 5 9.727 -6.957 -2.454 1.00 0.00 H new ATOM 0 HB ILE A 5 7.312 -8.790 -2.644 1.00 0.00 H new ATOM 0 HG12 ILE A 5 9.029 -10.365 -2.340 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.821 -10.261 -4.077 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.642 -8.456 -5.070 1.00 0.00 H new ATOM 0 HG22 ILE A 5 7.408 -6.911 -4.217 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.038 -7.407 -4.729 1.00 0.00 H new ATOM 0 HD11 ILE A 5 11.188 -10.336 -3.481 1.00 0.00 H new ATOM 0 HD12 ILE A 5 10.784 -8.777 -4.237 1.00 0.00 H new ATOM 0 HD13 ILE A 5 10.995 -8.882 -2.473 1.00 0.00 H new ATOM 87 N VAL A 6 8.164 -5.205 -1.718 1.00 0.00 N ATOM 88 CA VAL A 6 7.247 -4.133 -1.356 1.00 0.00 C ATOM 89 C VAL A 6 6.720 -3.429 -2.605 1.00 0.00 C ATOM 90 O VAL A 6 7.496 -3.001 -3.457 1.00 0.00 O ATOM 91 CB VAL A 6 7.932 -3.081 -0.456 1.00 0.00 C ATOM 92 CG1 VAL A 6 9.065 -2.406 -1.200 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.922 -2.050 0.015 1.00 0.00 C ATOM 0 H VAL A 6 9.056 -4.886 -2.095 1.00 0.00 H new ATOM 0 HA VAL A 6 6.423 -4.592 -0.809 1.00 0.00 H new ATOM 0 HB VAL A 6 8.344 -3.588 0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.537 -1.668 -0.552 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.802 -3.153 -1.496 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.673 -1.911 -2.088 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.420 -1.316 0.648 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.485 -1.548 -0.848 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.135 -2.545 0.584 1.00 0.00 H new ATOM 103 N TRP A 7 5.405 -3.292 -2.707 1.00 0.00 N ATOM 104 CA TRP A 7 4.809 -2.617 -3.852 1.00 0.00 C ATOM 105 C TRP A 7 4.064 -1.369 -3.395 1.00 0.00 C ATOM 106 O TRP A 7 3.233 -1.424 -2.490 1.00 0.00 O ATOM 107 CB TRP A 7 3.889 -3.569 -4.620 1.00 0.00 C ATOM 108 CG TRP A 7 4.641 -4.475 -5.558 1.00 0.00 C ATOM 109 CD1 TRP A 7 5.993 -4.665 -5.600 1.00 0.00 C ATOM 110 CD2 TRP A 7 4.091 -5.305 -6.584 1.00 0.00 C ATOM 111 NE1 TRP A 7 6.319 -5.551 -6.595 1.00 0.00 N ATOM 112 CE2 TRP A 7 5.168 -5.964 -7.213 1.00 0.00 C ATOM 113 CE3 TRP A 7 2.795 -5.557 -7.035 1.00 0.00 C ATOM 114 CZ2 TRP A 7 4.984 -6.856 -8.268 1.00 0.00 C ATOM 115 CZ3 TRP A 7 2.612 -6.442 -8.082 1.00 0.00 C ATOM 116 CH2 TRP A 7 3.702 -7.081 -8.688 1.00 0.00 C ATOM 0 H TRP A 7 4.736 -3.636 -2.018 1.00 0.00 H new ATOM 0 HA TRP A 7 5.602 -2.307 -4.532 1.00 0.00 H new ATOM 0 HB2 TRP A 7 3.326 -4.175 -3.910 1.00 0.00 H new ATOM 0 HB3 TRP A 7 3.163 -2.987 -5.188 1.00 0.00 H new ATOM 0 HD1 TRP A 7 6.704 -4.186 -4.943 1.00 0.00 H new ATOM 0 HE1 TRP A 7 7.263 -5.853 -6.835 1.00 0.00 H new ATOM 0 HE3 TRP A 7 1.949 -5.069 -6.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 5.822 -7.351 -8.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 1.613 -6.644 -8.438 1.00 0.00 H new ATOM 0 HH2 TRP A 7 3.526 -7.766 -9.504 1.00 0.00 H new ATOM 127 N VAL A 8 4.399 -0.236 -4.000 1.00 0.00 N ATOM 128 CA VAL A 8 3.793 1.037 -3.630 1.00 0.00 C ATOM 129 C VAL A 8 2.994 1.641 -4.782 1.00 0.00 C ATOM 130 O VAL A 8 3.359 1.502 -5.943 1.00 0.00 O ATOM 131 CB VAL A 8 4.867 2.059 -3.183 1.00 0.00 C ATOM 132 CG1 VAL A 8 4.314 2.970 -2.097 1.00 0.00 C ATOM 133 CG2 VAL A 8 6.143 1.361 -2.702 1.00 0.00 C ATOM 0 H VAL A 8 5.088 -0.173 -4.750 1.00 0.00 H new ATOM 0 HA VAL A 8 3.118 0.827 -2.801 1.00 0.00 H new ATOM 0 HB VAL A 8 5.130 2.665 -4.050 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.081 3.682 -1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.449 3.510 -2.481 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.015 2.371 -1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.874 2.110 -2.396 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.908 0.716 -1.855 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.556 0.760 -3.512 1.00 0.00 H new ATOM 143 N VAL A 9 1.904 2.323 -4.452 1.00 0.00 N ATOM 144 CA VAL A 9 1.072 2.958 -5.468 1.00 0.00 C ATOM 145 C VAL A 9 0.909 4.451 -5.176 1.00 0.00 C ATOM 146 O VAL A 9 0.274 4.838 -4.195 1.00 0.00 O ATOM 147 CB VAL A 9 -0.323 2.284 -5.591 1.00 0.00 C ATOM 148 CG1 VAL A 9 -0.567 1.851 -7.031 1.00 0.00 C ATOM 149 CG2 VAL A 9 -0.438 1.080 -4.666 1.00 0.00 C ATOM 0 H VAL A 9 1.576 2.451 -3.495 1.00 0.00 H new ATOM 0 HA VAL A 9 1.584 2.832 -6.422 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.077 3.014 -5.296 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.547 1.380 -7.108 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.531 2.723 -7.684 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.202 1.140 -7.333 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.425 0.630 -4.775 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.326 0.347 -4.926 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.297 1.400 -3.633 1.00 0.00 H new ATOM 159 N ASP A 10 1.513 5.282 -6.027 1.00 0.00 N ATOM 160 CA ASP A 10 1.463 6.734 -5.858 1.00 0.00 C ATOM 161 C ASP A 10 1.815 7.450 -7.164 1.00 0.00 C ATOM 162 O ASP A 10 1.713 6.873 -8.244 1.00 0.00 O ATOM 163 CB ASP A 10 2.426 7.162 -4.745 1.00 0.00 C ATOM 164 CG ASP A 10 1.858 8.270 -3.878 1.00 0.00 C ATOM 165 OD1 ASP A 10 1.373 9.274 -4.441 1.00 0.00 O ATOM 166 OD2 ASP A 10 1.899 8.134 -2.638 1.00 0.00 O ATOM 0 H ASP A 10 2.043 4.973 -6.842 1.00 0.00 H new ATOM 0 HA ASP A 10 0.446 7.014 -5.581 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.660 6.300 -4.120 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.363 7.497 -5.189 1.00 0.00 H new ATOM 171 N ASP A 11 2.222 8.714 -7.054 1.00 0.00 N ATOM 172 CA ASP A 11 2.578 9.517 -8.222 1.00 0.00 C ATOM 173 C ASP A 11 3.842 9.000 -8.921 1.00 0.00 C ATOM 174 O ASP A 11 4.265 9.565 -9.929 1.00 0.00 O ATOM 175 CB ASP A 11 2.786 10.977 -7.815 1.00 0.00 C ATOM 176 CG ASP A 11 2.570 11.932 -8.973 1.00 0.00 C ATOM 177 OD1 ASP A 11 1.781 11.594 -9.880 1.00 0.00 O ATOM 178 OD2 ASP A 11 3.191 13.015 -8.974 1.00 0.00 O ATOM 0 H ASP A 11 2.313 9.205 -6.165 1.00 0.00 H new ATOM 0 HA ASP A 11 1.750 9.439 -8.927 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.099 11.228 -7.007 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.796 11.103 -7.426 1.00 0.00 H new ATOM 183 N ASP A 12 4.440 7.935 -8.389 1.00 0.00 N ATOM 184 CA ASP A 12 5.650 7.366 -8.980 1.00 0.00 C ATOM 185 C ASP A 12 6.837 8.320 -8.827 1.00 0.00 C ATOM 186 O ASP A 12 6.819 9.196 -7.963 1.00 0.00 O ATOM 187 CB ASP A 12 5.410 7.044 -10.461 1.00 0.00 C ATOM 188 CG ASP A 12 5.763 5.609 -10.805 1.00 0.00 C ATOM 189 OD1 ASP A 12 6.967 5.281 -10.820 1.00 0.00 O ATOM 190 OD2 ASP A 12 4.833 4.815 -11.060 1.00 0.00 O ATOM 0 H ASP A 12 4.109 7.451 -7.554 1.00 0.00 H new ATOM 0 HA ASP A 12 5.890 6.444 -8.451 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.363 7.226 -10.705 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.003 7.719 -11.078 1.00 0.00 H new ATOM 195 N SER A 13 7.856 8.146 -9.678 1.00 0.00 N ATOM 196 CA SER A 13 9.058 8.980 -9.668 1.00 0.00 C ATOM 197 C SER A 13 9.447 9.450 -8.264 1.00 0.00 C ATOM 198 O SER A 13 10.260 8.814 -7.593 1.00 0.00 O ATOM 199 CB SER A 13 8.850 10.158 -10.613 1.00 0.00 C ATOM 200 OG SER A 13 10.082 10.621 -11.139 1.00 0.00 O ATOM 0 H SER A 13 7.867 7.420 -10.394 1.00 0.00 H new ATOM 0 HA SER A 13 9.895 8.374 -10.013 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.193 9.860 -11.430 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.351 10.969 -10.082 1.00 0.00 H new ATOM 0 HG SER A 13 9.917 11.375 -11.743 1.00 0.00 H new ATOM 206 N SER A 14 8.873 10.562 -7.827 1.00 0.00 N ATOM 207 CA SER A 14 9.166 11.114 -6.508 1.00 0.00 C ATOM 208 C SER A 14 8.945 10.077 -5.411 1.00 0.00 C ATOM 209 O SER A 14 9.884 9.678 -4.725 1.00 0.00 O ATOM 210 CB SER A 14 8.299 12.345 -6.241 1.00 0.00 C ATOM 211 OG SER A 14 8.507 12.840 -4.929 1.00 0.00 O ATOM 0 H SER A 14 8.198 11.103 -8.368 1.00 0.00 H new ATOM 0 HA SER A 14 10.216 11.405 -6.496 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.533 13.123 -6.968 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.248 12.089 -6.374 1.00 0.00 H new ATOM 0 HG SER A 14 7.943 13.628 -4.783 1.00 0.00 H new ATOM 217 N ILE A 15 7.700 9.641 -5.255 1.00 0.00 N ATOM 218 CA ILE A 15 7.363 8.650 -4.242 1.00 0.00 C ATOM 219 C ILE A 15 8.105 7.342 -4.489 1.00 0.00 C ATOM 220 O ILE A 15 8.385 6.587 -3.557 1.00 0.00 O ATOM 221 CB ILE A 15 5.846 8.372 -4.197 1.00 0.00 C ATOM 222 CG1 ILE A 15 5.056 9.683 -4.192 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.500 7.539 -2.972 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.379 10.584 -3.020 1.00 0.00 C ATOM 0 H ILE A 15 6.909 9.958 -5.816 1.00 0.00 H new ATOM 0 HA ILE A 15 7.670 9.065 -3.282 1.00 0.00 H new ATOM 0 HB ILE A 15 5.571 7.811 -5.090 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.256 10.221 -5.118 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.990 9.455 -4.180 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.427 7.350 -2.952 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.035 6.590 -3.014 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.790 8.079 -2.071 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.781 11.493 -3.084 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.152 10.065 -2.089 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.437 10.844 -3.042 1.00 0.00 H new ATOM 236 N ARG A 16 8.419 7.081 -5.750 1.00 0.00 N ATOM 237 CA ARG A 16 9.129 5.863 -6.128 1.00 0.00 C ATOM 238 C ARG A 16 10.596 5.929 -5.716 1.00 0.00 C ATOM 239 O ARG A 16 11.154 4.957 -5.208 1.00 0.00 O ATOM 240 CB ARG A 16 9.036 5.636 -7.640 1.00 0.00 C ATOM 241 CG ARG A 16 9.710 4.350 -8.099 1.00 0.00 C ATOM 242 CD ARG A 16 10.781 4.615 -9.145 1.00 0.00 C ATOM 243 NE ARG A 16 10.240 4.600 -10.500 1.00 0.00 N ATOM 244 CZ ARG A 16 10.994 4.589 -11.596 1.00 0.00 C ATOM 245 NH1 ARG A 16 12.318 4.608 -11.499 1.00 0.00 N ATOM 246 NH2 ARG A 16 10.424 4.562 -12.793 1.00 0.00 N ATOM 0 H ARG A 16 8.194 7.696 -6.532 1.00 0.00 H new ATOM 0 HA ARG A 16 8.656 5.031 -5.606 1.00 0.00 H new ATOM 0 HB2 ARG A 16 7.986 5.612 -7.933 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.492 6.481 -8.156 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.157 3.848 -7.241 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.960 3.674 -8.510 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.245 5.582 -8.951 1.00 0.00 H new ATOM 0 HD3 ARG A 16 11.565 3.862 -9.060 1.00 0.00 H new ATOM 0 HE ARG A 16 9.226 4.598 -10.613 1.00 0.00 H new ATOM 0 HH11 ARG A 16 12.762 4.631 -10.581 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.891 4.599 -12.343 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.407 4.550 -12.874 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.002 4.554 -13.633 1.00 0.00 H new ATOM 260 N TRP A 17 11.221 7.074 -5.952 1.00 0.00 N ATOM 261 CA TRP A 17 12.626 7.254 -5.623 1.00 0.00 C ATOM 262 C TRP A 17 12.864 7.251 -4.117 1.00 0.00 C ATOM 263 O TRP A 17 13.853 6.694 -3.638 1.00 0.00 O ATOM 264 CB TRP A 17 13.158 8.556 -6.224 1.00 0.00 C ATOM 265 CG TRP A 17 14.633 8.713 -6.045 1.00 0.00 C ATOM 266 CD1 TRP A 17 15.616 8.061 -6.729 1.00 0.00 C ATOM 267 CD2 TRP A 17 15.297 9.571 -5.108 1.00 0.00 C ATOM 268 NE1 TRP A 17 16.850 8.460 -6.278 1.00 0.00 N ATOM 269 CE2 TRP A 17 16.680 9.388 -5.284 1.00 0.00 C ATOM 270 CE3 TRP A 17 14.854 10.476 -4.140 1.00 0.00 C ATOM 271 CZ2 TRP A 17 17.624 10.076 -4.526 1.00 0.00 C ATOM 272 CZ3 TRP A 17 15.793 11.159 -3.390 1.00 0.00 C ATOM 273 CH2 TRP A 17 17.163 10.956 -3.586 1.00 0.00 C ATOM 0 H TRP A 17 10.777 7.891 -6.370 1.00 0.00 H new ATOM 0 HA TRP A 17 13.164 6.409 -6.052 1.00 0.00 H new ATOM 0 HB2 TRP A 17 12.920 8.584 -7.287 1.00 0.00 H new ATOM 0 HB3 TRP A 17 12.648 9.400 -5.761 1.00 0.00 H new ATOM 0 HD1 TRP A 17 15.448 7.336 -7.512 1.00 0.00 H new ATOM 0 HE1 TRP A 17 17.747 8.121 -6.626 1.00 0.00 H new ATOM 0 HE3 TRP A 17 13.798 10.639 -3.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 18.682 9.920 -4.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 15.463 11.862 -2.639 1.00 0.00 H new ATOM 0 HH2 TRP A 17 17.871 11.505 -2.983 1.00 0.00 H new ATOM 284 N VAL A 18 11.974 7.897 -3.373 1.00 0.00 N ATOM 285 CA VAL A 18 12.118 7.983 -1.925 1.00 0.00 C ATOM 286 C VAL A 18 11.884 6.642 -1.240 1.00 0.00 C ATOM 287 O VAL A 18 12.561 6.304 -0.271 1.00 0.00 O ATOM 288 CB VAL A 18 11.155 9.021 -1.316 1.00 0.00 C ATOM 289 CG1 VAL A 18 11.575 9.363 0.105 1.00 0.00 C ATOM 290 CG2 VAL A 18 11.094 10.278 -2.176 1.00 0.00 C ATOM 0 H VAL A 18 11.149 8.367 -3.746 1.00 0.00 H new ATOM 0 HA VAL A 18 13.148 8.295 -1.750 1.00 0.00 H new ATOM 0 HB VAL A 18 10.157 8.585 -1.287 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.885 10.097 0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.558 8.461 0.717 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.584 9.776 0.097 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.408 10.995 -1.725 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.088 10.721 -2.244 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.743 10.019 -3.175 1.00 0.00 H new ATOM 300 N LEU A 19 10.908 5.896 -1.729 1.00 0.00 N ATOM 301 CA LEU A 19 10.569 4.608 -1.142 1.00 0.00 C ATOM 302 C LEU A 19 11.442 3.473 -1.667 1.00 0.00 C ATOM 303 O LEU A 19 11.650 2.477 -0.974 1.00 0.00 O ATOM 304 CB LEU A 19 9.094 4.278 -1.382 1.00 0.00 C ATOM 305 CG LEU A 19 8.128 4.851 -0.342 1.00 0.00 C ATOM 306 CD1 LEU A 19 6.686 4.607 -0.760 1.00 0.00 C ATOM 307 CD2 LEU A 19 8.397 4.246 1.027 1.00 0.00 C ATOM 0 H LEU A 19 10.335 6.159 -2.531 1.00 0.00 H new ATOM 0 HA LEU A 19 10.757 4.697 -0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.809 4.651 -2.366 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.978 3.194 -1.406 1.00 0.00 H new ATOM 0 HG LEU A 19 8.290 5.927 -0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.014 5.021 -0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.499 5.089 -1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.510 3.535 -0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.701 4.665 1.753 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.265 3.165 0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.419 4.473 1.331 1.00 0.00 H new ATOM 319 N GLU A 20 11.942 3.610 -2.886 1.00 0.00 N ATOM 320 CA GLU A 20 12.775 2.566 -3.472 1.00 0.00 C ATOM 321 C GLU A 20 14.106 2.436 -2.746 1.00 0.00 C ATOM 322 O GLU A 20 14.456 1.366 -2.250 1.00 0.00 O ATOM 323 CB GLU A 20 13.010 2.807 -4.967 1.00 0.00 C ATOM 324 CG GLU A 20 13.871 4.013 -5.304 1.00 0.00 C ATOM 325 CD GLU A 20 13.950 4.263 -6.795 1.00 0.00 C ATOM 326 OE1 GLU A 20 13.019 3.848 -7.513 1.00 0.00 O ATOM 327 OE2 GLU A 20 14.942 4.875 -7.244 1.00 0.00 O ATOM 0 H GLU A 20 11.789 4.422 -3.484 1.00 0.00 H new ATOM 0 HA GLU A 20 12.231 1.628 -3.357 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.476 1.918 -5.392 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.043 2.924 -5.456 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.465 4.896 -4.811 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.876 3.861 -4.909 1.00 0.00 H new ATOM 334 N ARG A 21 14.845 3.529 -2.700 1.00 0.00 N ATOM 335 CA ARG A 21 16.152 3.551 -2.051 1.00 0.00 C ATOM 336 C ARG A 21 16.057 3.210 -0.564 1.00 0.00 C ATOM 337 O ARG A 21 16.763 2.327 -0.076 1.00 0.00 O ATOM 338 CB ARG A 21 16.804 4.923 -2.236 1.00 0.00 C ATOM 339 CG ARG A 21 17.255 5.188 -3.666 1.00 0.00 C ATOM 340 CD ARG A 21 18.756 4.997 -3.820 1.00 0.00 C ATOM 341 NE ARG A 21 19.098 4.286 -5.050 1.00 0.00 N ATOM 342 CZ ARG A 21 19.632 4.863 -6.126 1.00 0.00 C ATOM 343 NH1 ARG A 21 19.876 6.169 -6.144 1.00 0.00 N ATOM 344 NH2 ARG A 21 19.921 4.131 -7.191 1.00 0.00 N ATOM 0 H ARG A 21 14.564 4.421 -3.106 1.00 0.00 H new ATOM 0 HA ARG A 21 16.769 2.787 -2.524 1.00 0.00 H new ATOM 0 HB2 ARG A 21 16.097 5.697 -1.936 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.664 5.002 -1.571 1.00 0.00 H new ATOM 0 HG2 ARG A 21 16.730 4.516 -4.345 1.00 0.00 H new ATOM 0 HG3 ARG A 21 16.985 6.205 -3.952 1.00 0.00 H new ATOM 0 HD2 ARG A 21 19.247 5.970 -3.816 1.00 0.00 H new ATOM 0 HD3 ARG A 21 19.140 4.443 -2.963 1.00 0.00 H new ATOM 0 HE ARG A 21 18.916 3.283 -5.087 1.00 0.00 H new ATOM 0 HH11 ARG A 21 19.654 6.741 -5.329 1.00 0.00 H new ATOM 0 HH12 ARG A 21 20.285 6.600 -6.973 1.00 0.00 H new ATOM 0 HH21 ARG A 21 19.735 3.128 -7.186 1.00 0.00 H new ATOM 0 HH22 ARG A 21 20.330 4.570 -8.016 1.00 0.00 H new ATOM 358 N ALA A 22 15.188 3.913 0.155 1.00 0.00 N ATOM 359 CA ALA A 22 15.022 3.674 1.586 1.00 0.00 C ATOM 360 C ALA A 22 14.640 2.232 1.866 1.00 0.00 C ATOM 361 O ALA A 22 15.175 1.603 2.778 1.00 0.00 O ATOM 362 CB ALA A 22 13.984 4.625 2.172 1.00 0.00 C ATOM 0 H ALA A 22 14.591 4.648 -0.225 1.00 0.00 H new ATOM 0 HA ALA A 22 15.981 3.865 2.068 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.874 4.431 3.239 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.308 5.655 2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.026 4.470 1.675 1.00 0.00 H new ATOM 368 N LEU A 23 13.720 1.715 1.075 1.00 0.00 N ATOM 369 CA LEU A 23 13.271 0.337 1.235 1.00 0.00 C ATOM 370 C LEU A 23 14.366 -0.628 0.807 1.00 0.00 C ATOM 371 O LEU A 23 14.511 -1.725 1.363 1.00 0.00 O ATOM 372 CB LEU A 23 11.992 0.095 0.433 1.00 0.00 C ATOM 373 CG LEU A 23 11.204 -1.163 0.814 1.00 0.00 C ATOM 374 CD1 LEU A 23 11.825 -2.401 0.198 1.00 0.00 C ATOM 375 CD2 LEU A 23 11.115 -1.320 2.325 1.00 0.00 C ATOM 0 H LEU A 23 13.267 2.223 0.315 1.00 0.00 H new ATOM 0 HA LEU A 23 13.051 0.162 2.288 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.340 0.961 0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 23 12.252 0.034 -0.624 1.00 0.00 H new ATOM 0 HG LEU A 23 10.194 -1.047 0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 23 11.246 -3.279 0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 23 11.826 -2.306 -0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.849 -2.510 0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.550 -2.221 2.565 1.00 0.00 H new ATOM 0 HD22 LEU A 23 12.119 -1.399 2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.612 -0.452 2.752 1.00 0.00 H new ATOM 387 N ALA A 24 15.157 -0.205 -0.164 1.00 0.00 N ATOM 388 CA ALA A 24 16.258 -1.018 -0.639 1.00 0.00 C ATOM 389 C ALA A 24 17.268 -1.192 0.482 1.00 0.00 C ATOM 390 O ALA A 24 17.888 -2.246 0.621 1.00 0.00 O ATOM 391 CB ALA A 24 16.909 -0.387 -1.863 1.00 0.00 C ATOM 0 H ALA A 24 15.056 0.694 -0.636 1.00 0.00 H new ATOM 0 HA ALA A 24 15.880 -1.996 -0.937 1.00 0.00 H new ATOM 0 HB1 ALA A 24 17.733 -1.015 -2.201 1.00 0.00 H new ATOM 0 HB2 ALA A 24 16.172 -0.295 -2.660 1.00 0.00 H new ATOM 0 HB3 ALA A 24 17.289 0.601 -1.604 1.00 0.00 H new ATOM 397 N GLY A 25 17.407 -0.152 1.304 1.00 0.00 N ATOM 398 CA GLY A 25 18.320 -0.221 2.423 1.00 0.00 C ATOM 399 C GLY A 25 17.898 -1.293 3.406 1.00 0.00 C ATOM 400 O GLY A 25 18.728 -1.851 4.124 1.00 0.00 O ATOM 0 H GLY A 25 16.904 0.731 1.212 1.00 0.00 H new ATOM 0 HA2 GLY A 25 19.327 -0.430 2.062 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.356 0.745 2.927 1.00 0.00 H new ATOM 404 N ALA A 26 16.601 -1.591 3.421 1.00 0.00 N ATOM 405 CA ALA A 26 16.062 -2.611 4.304 1.00 0.00 C ATOM 406 C ALA A 26 16.352 -4.007 3.758 1.00 0.00 C ATOM 407 O ALA A 26 16.253 -4.999 4.481 1.00 0.00 O ATOM 408 CB ALA A 26 14.564 -2.412 4.494 1.00 0.00 C ATOM 0 H ALA A 26 15.906 -1.137 2.829 1.00 0.00 H new ATOM 0 HA ALA A 26 16.550 -2.517 5.274 1.00 0.00 H new ATOM 0 HB1 ALA A 26 14.176 -3.184 5.158 1.00 0.00 H new ATOM 0 HB2 ALA A 26 14.380 -1.431 4.932 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.063 -2.478 3.528 1.00 0.00 H new ATOM 414 N GLY A 27 16.727 -4.077 2.482 1.00 0.00 N ATOM 415 CA GLY A 27 17.046 -5.351 1.871 1.00 0.00 C ATOM 416 C GLY A 27 15.902 -5.957 1.080 1.00 0.00 C ATOM 417 O GLY A 27 15.843 -7.177 0.921 1.00 0.00 O ATOM 0 H GLY A 27 16.815 -3.271 1.863 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.903 -5.221 1.210 1.00 0.00 H new ATOM 0 HA3 GLY A 27 17.347 -6.051 2.650 1.00 0.00 H new ATOM 421 N LEU A 28 14.990 -5.127 0.572 1.00 0.00 N ATOM 422 CA LEU A 28 13.870 -5.644 -0.203 1.00 0.00 C ATOM 423 C LEU A 28 13.658 -4.856 -1.492 1.00 0.00 C ATOM 424 O LEU A 28 14.281 -3.818 -1.711 1.00 0.00 O ATOM 425 CB LEU A 28 12.588 -5.660 0.631 1.00 0.00 C ATOM 426 CG LEU A 28 12.785 -5.600 2.144 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.782 -4.159 2.626 1.00 0.00 C ATOM 428 CD2 LEU A 28 11.712 -6.414 2.851 1.00 0.00 C ATOM 0 H LEU A 28 15.006 -4.113 0.682 1.00 0.00 H new ATOM 0 HA LEU A 28 14.118 -6.669 -0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.969 -4.815 0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.031 -6.565 0.391 1.00 0.00 H new ATOM 0 HG LEU A 28 13.755 -6.034 2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.924 -4.136 3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.591 -3.612 2.142 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.829 -3.693 2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.866 -6.361 3.929 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.729 -6.012 2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.771 -7.453 2.527 1.00 0.00 H new ATOM 440 N THR A 29 12.773 -5.369 -2.348 1.00 0.00 N ATOM 441 CA THR A 29 12.477 -4.728 -3.627 1.00 0.00 C ATOM 442 C THR A 29 11.265 -3.809 -3.509 1.00 0.00 C ATOM 443 O THR A 29 10.209 -4.218 -3.031 1.00 0.00 O ATOM 444 CB THR A 29 12.232 -5.792 -4.705 1.00 0.00 C ATOM 445 OG1 THR A 29 13.446 -6.426 -5.063 1.00 0.00 O ATOM 446 CG2 THR A 29 11.611 -5.248 -5.975 1.00 0.00 C ATOM 0 H THR A 29 12.249 -6.227 -2.177 1.00 0.00 H new ATOM 0 HA THR A 29 13.337 -4.122 -3.913 1.00 0.00 H new ATOM 0 HB THR A 29 11.529 -6.492 -4.255 1.00 0.00 H new ATOM 0 HG1 THR A 29 13.271 -7.103 -5.750 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.469 -6.060 -6.688 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.647 -4.796 -5.744 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.270 -4.496 -6.409 1.00 0.00 H new ATOM 454 N CYS A 30 11.429 -2.565 -3.951 1.00 0.00 N ATOM 455 CA CYS A 30 10.354 -1.582 -3.895 1.00 0.00 C ATOM 456 C CYS A 30 10.028 -1.036 -5.273 1.00 0.00 C ATOM 457 O CYS A 30 10.830 -0.336 -5.890 1.00 0.00 O ATOM 458 CB CYS A 30 10.730 -0.446 -2.945 1.00 0.00 C ATOM 459 SG CYS A 30 9.476 0.847 -2.797 1.00 0.00 S ATOM 0 H CYS A 30 12.299 -2.214 -4.353 1.00 0.00 H new ATOM 0 HA CYS A 30 9.461 -2.080 -3.518 1.00 0.00 H new ATOM 0 HB2 CYS A 30 10.923 -0.864 -1.957 1.00 0.00 H new ATOM 0 HB3 CYS A 30 11.661 0.005 -3.288 1.00 0.00 H new ATOM 0 HG CYS A 30 9.084 0.932 -1.560 1.00 0.00 H new ATOM 465 N THR A 31 8.826 -1.354 -5.734 1.00 0.00 N ATOM 466 CA THR A 31 8.351 -0.894 -7.024 1.00 0.00 C ATOM 467 C THR A 31 7.123 -0.021 -6.806 1.00 0.00 C ATOM 468 O THR A 31 6.403 -0.197 -5.822 1.00 0.00 O ATOM 469 CB THR A 31 8.008 -2.082 -7.937 1.00 0.00 C ATOM 470 OG1 THR A 31 8.023 -1.682 -9.294 1.00 0.00 O ATOM 471 CG2 THR A 31 6.644 -2.677 -7.674 1.00 0.00 C ATOM 0 H THR A 31 8.159 -1.935 -5.225 1.00 0.00 H new ATOM 0 HA THR A 31 9.135 -0.317 -7.514 1.00 0.00 H new ATOM 0 HB THR A 31 8.767 -2.833 -7.720 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.805 -2.449 -9.864 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.473 -3.510 -8.356 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.595 -3.034 -6.645 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.879 -1.917 -7.831 1.00 0.00 H new ATOM 479 N THR A 32 6.884 0.919 -7.702 1.00 0.00 N ATOM 480 CA THR A 32 5.739 1.799 -7.559 1.00 0.00 C ATOM 481 C THR A 32 4.845 1.766 -8.789 1.00 0.00 C ATOM 482 O THR A 32 5.230 1.263 -9.844 1.00 0.00 O ATOM 483 CB THR A 32 6.202 3.218 -7.258 1.00 0.00 C ATOM 484 OG1 THR A 32 6.866 3.778 -8.374 1.00 0.00 O ATOM 485 CG2 THR A 32 7.140 3.277 -6.073 1.00 0.00 C ATOM 0 H THR A 32 7.459 1.092 -8.526 1.00 0.00 H new ATOM 0 HA THR A 32 5.142 1.440 -6.721 1.00 0.00 H new ATOM 0 HB THR A 32 5.302 3.787 -7.025 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.169 3.060 -8.968 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.442 4.310 -5.899 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.633 2.893 -5.188 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.023 2.671 -6.277 1.00 0.00 H new ATOM 493 N PHE A 33 3.633 2.277 -8.623 1.00 0.00 N ATOM 494 CA PHE A 33 2.643 2.290 -9.688 1.00 0.00 C ATOM 495 C PHE A 33 1.976 3.663 -9.818 1.00 0.00 C ATOM 496 O PHE A 33 2.260 4.578 -9.047 1.00 0.00 O ATOM 497 CB PHE A 33 1.609 1.195 -9.462 1.00 0.00 C ATOM 498 CG PHE A 33 2.198 -0.188 -9.347 1.00 0.00 C ATOM 499 CD1 PHE A 33 3.062 -0.508 -8.312 1.00 0.00 C ATOM 500 CD2 PHE A 33 1.885 -1.171 -10.273 1.00 0.00 C ATOM 501 CE1 PHE A 33 3.601 -1.775 -8.203 1.00 0.00 C ATOM 502 CE2 PHE A 33 2.417 -2.438 -10.168 1.00 0.00 C ATOM 503 CZ PHE A 33 3.276 -2.746 -9.134 1.00 0.00 C ATOM 0 H PHE A 33 3.310 2.693 -7.749 1.00 0.00 H new ATOM 0 HA PHE A 33 3.156 2.091 -10.629 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.051 1.418 -8.553 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.895 1.208 -10.285 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.318 0.244 -7.580 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.215 -0.941 -11.088 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.275 -2.008 -7.392 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.160 -3.192 -10.898 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.693 -3.739 -9.051 1.00 0.00 H new ATOM 513 N GLU A 34 1.136 3.809 -10.842 1.00 0.00 N ATOM 514 CA GLU A 34 0.476 5.081 -11.144 1.00 0.00 C ATOM 515 C GLU A 34 -0.445 5.605 -10.030 1.00 0.00 C ATOM 516 O GLU A 34 -0.458 6.810 -9.774 1.00 0.00 O ATOM 517 CB GLU A 34 -0.324 4.943 -12.443 1.00 0.00 C ATOM 518 CG GLU A 34 -1.613 4.143 -12.293 1.00 0.00 C ATOM 519 CD GLU A 34 -1.821 3.149 -13.422 1.00 0.00 C ATOM 520 OE1 GLU A 34 -1.236 3.352 -14.507 1.00 0.00 O ATOM 521 OE2 GLU A 34 -2.569 2.167 -13.217 1.00 0.00 O ATOM 0 H GLU A 34 0.894 3.054 -11.483 1.00 0.00 H new ATOM 0 HA GLU A 34 1.274 5.817 -11.243 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.567 5.938 -12.816 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.303 4.465 -13.195 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.596 3.609 -11.343 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.459 4.829 -12.258 1.00 0.00 H new ATOM 528 N ASN A 35 -1.223 4.743 -9.373 1.00 0.00 N ATOM 529 CA ASN A 35 -2.121 5.221 -8.321 1.00 0.00 C ATOM 530 C ASN A 35 -2.763 4.083 -7.538 1.00 0.00 C ATOM 531 O ASN A 35 -2.942 4.176 -6.322 1.00 0.00 O ATOM 532 CB ASN A 35 -3.213 6.106 -8.927 1.00 0.00 C ATOM 533 CG ASN A 35 -2.925 7.586 -8.758 1.00 0.00 C ATOM 534 OD1 ASN A 35 -2.456 8.249 -9.682 1.00 0.00 O ATOM 535 ND2 ASN A 35 -3.209 8.112 -7.573 1.00 0.00 N ATOM 0 H ASN A 35 -1.251 3.738 -9.544 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.515 5.797 -7.622 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.313 5.878 -9.988 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.169 5.870 -8.459 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.039 9.103 -7.401 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.597 7.525 -6.834 1.00 0.00 H new ATOM 542 N GLY A 36 -3.115 3.023 -8.237 1.00 0.00 N ATOM 543 CA GLY A 36 -3.744 1.891 -7.588 1.00 0.00 C ATOM 544 C GLY A 36 -4.048 0.760 -8.545 1.00 0.00 C ATOM 545 O GLY A 36 -3.542 -0.349 -8.384 1.00 0.00 O ATOM 0 H GLY A 36 -2.978 2.922 -9.243 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.092 1.524 -6.795 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.669 2.218 -7.114 1.00 0.00 H new ATOM 549 N ASN A 37 -4.885 1.044 -9.541 1.00 0.00 N ATOM 550 CA ASN A 37 -5.276 0.047 -10.529 1.00 0.00 C ATOM 551 C ASN A 37 -4.064 -0.654 -11.129 1.00 0.00 C ATOM 552 O ASN A 37 -4.129 -1.837 -11.464 1.00 0.00 O ATOM 553 CB ASN A 37 -6.115 0.697 -11.631 1.00 0.00 C ATOM 554 CG ASN A 37 -7.551 0.928 -11.198 1.00 0.00 C ATOM 555 OD1 ASN A 37 -8.201 -0.124 -10.712 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -8.070 2.041 -11.301 1.00 0.00 N flip ATOM 0 H ASN A 37 -5.306 1.962 -9.683 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.876 -0.708 -10.021 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.665 1.649 -11.914 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.102 0.062 -12.517 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.533 2.821 -11.680 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.036 2.182 -11.007 1.00 0.00 H new ATOM 563 N GLU A 38 -2.960 0.072 -11.266 1.00 0.00 N ATOM 564 CA GLU A 38 -1.751 -0.514 -11.831 1.00 0.00 C ATOM 565 C GLU A 38 -1.299 -1.734 -11.025 1.00 0.00 C ATOM 566 O GLU A 38 -1.053 -2.792 -11.601 1.00 0.00 O ATOM 567 CB GLU A 38 -0.630 0.517 -11.916 1.00 0.00 C ATOM 568 CG GLU A 38 0.108 0.503 -13.249 1.00 0.00 C ATOM 569 CD GLU A 38 1.577 0.148 -13.108 1.00 0.00 C ATOM 570 OE1 GLU A 38 2.335 0.971 -12.554 1.00 0.00 O ATOM 571 OE2 GLU A 38 1.965 -0.953 -13.548 1.00 0.00 O ATOM 0 H GLU A 38 -2.877 1.053 -10.998 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.987 -0.845 -12.842 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.047 1.510 -11.751 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.083 0.334 -11.113 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.371 -0.214 -13.916 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.020 1.483 -13.718 1.00 0.00 H new ATOM 578 N VAL A 39 -1.196 -1.605 -9.696 1.00 0.00 N ATOM 579 CA VAL A 39 -0.781 -2.747 -8.882 1.00 0.00 C ATOM 580 C VAL A 39 -1.791 -3.882 -9.003 1.00 0.00 C ATOM 581 O VAL A 39 -1.420 -5.055 -9.054 1.00 0.00 O ATOM 582 CB VAL A 39 -0.624 -2.399 -7.390 1.00 0.00 C ATOM 583 CG1 VAL A 39 0.134 -3.501 -6.671 1.00 0.00 C ATOM 584 CG2 VAL A 39 0.092 -1.077 -7.205 1.00 0.00 C ATOM 0 H VAL A 39 -1.388 -0.748 -9.177 1.00 0.00 H new ATOM 0 HA VAL A 39 0.193 -3.049 -9.266 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.622 -2.308 -6.962 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.238 -3.243 -5.617 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.414 -4.439 -6.762 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.122 -3.613 -7.117 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.187 -0.860 -6.141 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.084 -1.135 -7.653 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.479 -0.283 -7.687 1.00 0.00 H new ATOM 594 N LEU A 40 -3.069 -3.520 -9.050 1.00 0.00 N ATOM 595 CA LEU A 40 -4.142 -4.500 -9.168 1.00 0.00 C ATOM 596 C LEU A 40 -3.943 -5.364 -10.409 1.00 0.00 C ATOM 597 O LEU A 40 -4.129 -6.580 -10.370 1.00 0.00 O ATOM 598 CB LEU A 40 -5.503 -3.795 -9.225 1.00 0.00 C ATOM 599 CG LEU A 40 -5.680 -2.623 -8.248 1.00 0.00 C ATOM 600 CD1 LEU A 40 -7.089 -2.049 -8.330 1.00 0.00 C ATOM 601 CD2 LEU A 40 -5.377 -3.062 -6.823 1.00 0.00 C ATOM 0 H LEU A 40 -3.387 -2.552 -9.008 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.118 -5.145 -8.290 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.660 -3.427 -10.239 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.283 -4.531 -9.028 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.974 -1.843 -8.533 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.186 -1.221 -7.628 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.278 -1.691 -9.342 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.813 -2.824 -8.079 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.508 -2.217 -6.146 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.057 -3.865 -6.537 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.349 -3.419 -6.763 1.00 0.00 H new ATOM 613 N ALA A 41 -3.557 -4.721 -11.506 1.00 0.00 N ATOM 614 CA ALA A 41 -3.322 -5.420 -12.765 1.00 0.00 C ATOM 615 C ALA A 41 -2.030 -6.226 -12.718 1.00 0.00 C ATOM 616 O ALA A 41 -2.001 -7.399 -13.095 1.00 0.00 O ATOM 617 CB ALA A 41 -3.275 -4.427 -13.915 1.00 0.00 C ATOM 0 H ALA A 41 -3.400 -3.714 -11.549 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.148 -6.114 -12.923 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.099 -4.960 -14.849 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.224 -3.894 -13.975 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.468 -3.714 -13.747 1.00 0.00 H new ATOM 623 N ALA A 42 -0.969 -5.585 -12.261 1.00 0.00 N ATOM 624 CA ALA A 42 0.339 -6.228 -12.164 1.00 0.00 C ATOM 625 C ALA A 42 0.316 -7.387 -11.174 1.00 0.00 C ATOM 626 O ALA A 42 1.087 -8.338 -11.297 1.00 0.00 O ATOM 627 CB ALA A 42 1.407 -5.218 -11.759 1.00 0.00 C ATOM 0 H ALA A 42 -0.983 -4.614 -11.948 1.00 0.00 H new ATOM 0 HA ALA A 42 0.583 -6.625 -13.149 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.374 -5.717 -11.692 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.459 -4.425 -12.505 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.153 -4.789 -10.790 1.00 0.00 H new ATOM 633 N LEU A 43 -0.563 -7.293 -10.185 1.00 0.00 N ATOM 634 CA LEU A 43 -0.673 -8.325 -9.162 1.00 0.00 C ATOM 635 C LEU A 43 -1.248 -9.621 -9.716 1.00 0.00 C ATOM 636 O LEU A 43 -1.019 -10.696 -9.162 1.00 0.00 O ATOM 637 CB LEU A 43 -1.543 -7.835 -8.014 1.00 0.00 C ATOM 638 CG LEU A 43 -0.800 -7.050 -6.938 1.00 0.00 C ATOM 639 CD1 LEU A 43 -1.764 -6.147 -6.202 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.110 -7.998 -5.974 1.00 0.00 C ATOM 0 H LEU A 43 -1.210 -6.513 -10.069 1.00 0.00 H new ATOM 0 HA LEU A 43 0.335 -8.531 -8.803 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.336 -7.207 -8.420 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.025 -8.695 -7.549 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.037 -6.433 -7.412 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.227 -5.589 -5.435 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.219 -5.450 -6.906 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.542 -6.750 -5.734 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.416 -7.423 -5.212 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.853 -8.637 -5.498 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.604 -8.616 -6.519 1.00 0.00 H new ATOM 652 N ALA A 44 -1.995 -9.516 -10.803 1.00 0.00 N ATOM 653 CA ALA A 44 -2.600 -10.688 -11.420 1.00 0.00 C ATOM 654 C ALA A 44 -1.548 -11.744 -11.753 1.00 0.00 C ATOM 655 O ALA A 44 -1.876 -12.909 -11.978 1.00 0.00 O ATOM 656 CB ALA A 44 -3.374 -10.291 -12.669 1.00 0.00 C ATOM 0 H ALA A 44 -2.197 -8.635 -11.276 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.295 -11.125 -10.703 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.820 -11.178 -13.118 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.161 -9.586 -12.401 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.696 -9.824 -13.384 1.00 0.00 H new ATOM 662 N SER A 45 -0.280 -11.331 -11.790 1.00 0.00 N ATOM 663 CA SER A 45 0.811 -12.240 -12.102 1.00 0.00 C ATOM 664 C SER A 45 1.877 -12.258 -11.002 1.00 0.00 C ATOM 665 O SER A 45 2.874 -12.971 -11.114 1.00 0.00 O ATOM 666 CB SER A 45 1.449 -11.857 -13.438 1.00 0.00 C ATOM 667 OG SER A 45 0.949 -12.662 -14.489 1.00 0.00 O ATOM 0 H SER A 45 0.011 -10.371 -11.607 1.00 0.00 H new ATOM 0 HA SER A 45 0.390 -13.243 -12.171 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.249 -10.807 -13.653 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.531 -11.969 -13.373 1.00 0.00 H new ATOM 0 HG SER A 45 1.371 -12.397 -15.333 1.00 0.00 H new ATOM 673 N LYS A 46 1.668 -11.480 -9.940 1.00 0.00 N ATOM 674 CA LYS A 46 2.623 -11.428 -8.838 1.00 0.00 C ATOM 675 C LYS A 46 1.988 -10.844 -7.580 1.00 0.00 C ATOM 676 O LYS A 46 1.018 -10.090 -7.653 1.00 0.00 O ATOM 677 CB LYS A 46 3.848 -10.599 -9.229 1.00 0.00 C ATOM 678 CG LYS A 46 5.171 -11.279 -8.911 1.00 0.00 C ATOM 679 CD LYS A 46 6.096 -10.358 -8.128 1.00 0.00 C ATOM 680 CE LYS A 46 7.555 -10.731 -8.333 1.00 0.00 C ATOM 681 NZ LYS A 46 7.973 -11.857 -7.451 1.00 0.00 N ATOM 0 H LYS A 46 0.851 -10.881 -9.821 1.00 0.00 H new ATOM 0 HA LYS A 46 2.934 -12.451 -8.624 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.806 -10.386 -10.297 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.808 -9.641 -8.711 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.986 -12.186 -8.336 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.657 -11.583 -9.838 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.935 -9.327 -8.442 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.851 -10.411 -7.067 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.715 -11.008 -9.375 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.183 -9.862 -8.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.974 -12.079 -7.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.845 -11.584 -6.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.392 -12.694 -7.658 1.00 0.00 H new ATOM 695 N THR A 47 2.545 -11.192 -6.426 1.00 0.00 N ATOM 696 CA THR A 47 2.043 -10.697 -5.156 1.00 0.00 C ATOM 697 C THR A 47 3.190 -10.334 -4.211 1.00 0.00 C ATOM 698 O THR A 47 3.933 -11.207 -3.767 1.00 0.00 O ATOM 699 CB THR A 47 1.129 -11.732 -4.496 1.00 0.00 C ATOM 700 OG1 THR A 47 -0.006 -11.990 -5.303 1.00 0.00 O ATOM 701 CG2 THR A 47 0.631 -11.305 -3.130 1.00 0.00 C ATOM 0 H THR A 47 3.347 -11.817 -6.347 1.00 0.00 H new ATOM 0 HA THR A 47 1.466 -9.794 -5.358 1.00 0.00 H new ATOM 0 HB THR A 47 1.743 -12.626 -4.381 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.576 -12.655 -4.863 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.011 -12.083 -2.717 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.481 -11.146 -2.466 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.065 -10.378 -3.222 1.00 0.00 H new ATOM 709 N PRO A 48 3.333 -9.041 -3.869 1.00 0.00 N ATOM 710 CA PRO A 48 4.375 -8.584 -2.952 1.00 0.00 C ATOM 711 C PRO A 48 4.018 -8.920 -1.511 1.00 0.00 C ATOM 712 O PRO A 48 2.875 -9.263 -1.214 1.00 0.00 O ATOM 713 CB PRO A 48 4.398 -7.073 -3.169 1.00 0.00 C ATOM 714 CG PRO A 48 3.009 -6.733 -3.580 1.00 0.00 C ATOM 715 CD PRO A 48 2.478 -7.929 -4.325 1.00 0.00 C ATOM 0 HA PRO A 48 5.340 -9.056 -3.135 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.682 -6.546 -2.258 1.00 0.00 H new ATOM 0 HB3 PRO A 48 5.119 -6.794 -3.937 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.390 -6.512 -2.710 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.998 -5.846 -4.213 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.429 -8.111 -4.092 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.546 -7.790 -5.404 1.00 0.00 H new ATOM 723 N ASP A 49 4.990 -8.821 -0.613 1.00 0.00 N ATOM 724 CA ASP A 49 4.744 -9.129 0.789 1.00 0.00 C ATOM 725 C ASP A 49 3.936 -8.014 1.453 1.00 0.00 C ATOM 726 O ASP A 49 3.282 -8.236 2.473 1.00 0.00 O ATOM 727 CB ASP A 49 6.071 -9.326 1.527 1.00 0.00 C ATOM 728 CG ASP A 49 6.887 -10.464 0.951 1.00 0.00 C ATOM 729 OD1 ASP A 49 6.287 -11.383 0.356 1.00 0.00 O ATOM 730 OD2 ASP A 49 8.127 -10.434 1.091 1.00 0.00 O ATOM 0 H ASP A 49 5.945 -8.533 -0.827 1.00 0.00 H new ATOM 0 HA ASP A 49 4.167 -10.053 0.842 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.651 -8.405 1.478 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.872 -9.522 2.581 1.00 0.00 H new ATOM 735 N VAL A 50 3.978 -6.819 0.867 1.00 0.00 N ATOM 736 CA VAL A 50 3.247 -5.679 1.400 1.00 0.00 C ATOM 737 C VAL A 50 2.773 -4.771 0.257 1.00 0.00 C ATOM 738 O VAL A 50 3.192 -4.946 -0.886 1.00 0.00 O ATOM 739 CB VAL A 50 4.136 -4.890 2.374 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.399 -4.444 1.671 1.00 0.00 C ATOM 741 CG2 VAL A 50 3.394 -3.705 2.963 1.00 0.00 C ATOM 0 H VAL A 50 4.512 -6.618 0.022 1.00 0.00 H new ATOM 0 HA VAL A 50 2.373 -6.043 1.940 1.00 0.00 H new ATOM 0 HB VAL A 50 4.407 -5.545 3.202 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.025 -3.885 2.367 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.944 -5.318 1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.139 -3.807 0.825 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.051 -3.168 3.648 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.081 -3.036 2.161 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.516 -4.058 3.504 1.00 0.00 H new ATOM 751 N LEU A 51 1.891 -3.813 0.554 1.00 0.00 N ATOM 752 CA LEU A 51 1.375 -2.915 -0.482 1.00 0.00 C ATOM 753 C LEU A 51 0.955 -1.563 0.104 1.00 0.00 C ATOM 754 O LEU A 51 0.086 -1.491 0.971 1.00 0.00 O ATOM 755 CB LEU A 51 0.189 -3.579 -1.204 1.00 0.00 C ATOM 756 CG LEU A 51 -0.175 -2.996 -2.577 1.00 0.00 C ATOM 757 CD1 LEU A 51 1.047 -2.946 -3.486 1.00 0.00 C ATOM 758 CD2 LEU A 51 -1.297 -3.814 -3.226 1.00 0.00 C ATOM 0 H LEU A 51 1.524 -3.640 1.490 1.00 0.00 H new ATOM 0 HA LEU A 51 2.175 -2.728 -1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.412 -4.639 -1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.687 -3.512 -0.559 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.531 -1.976 -2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.764 -2.529 -4.453 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.814 -2.319 -3.031 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.438 -3.954 -3.625 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.543 -3.387 -4.198 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.968 -4.845 -3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.180 -3.792 -2.587 1.00 0.00 H new ATOM 770 N LEU A 52 1.585 -0.495 -0.385 1.00 0.00 N ATOM 771 CA LEU A 52 1.289 0.860 0.073 1.00 0.00 C ATOM 772 C LEU A 52 0.488 1.612 -0.987 1.00 0.00 C ATOM 773 O LEU A 52 0.934 1.747 -2.125 1.00 0.00 O ATOM 774 CB LEU A 52 2.590 1.612 0.372 1.00 0.00 C ATOM 775 CG LEU A 52 2.733 2.138 1.800 1.00 0.00 C ATOM 776 CD1 LEU A 52 4.198 2.386 2.128 1.00 0.00 C ATOM 777 CD2 LEU A 52 1.919 3.410 1.988 1.00 0.00 C ATOM 0 H LEU A 52 2.308 -0.544 -1.103 1.00 0.00 H new ATOM 0 HA LEU A 52 0.697 0.797 0.986 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.429 0.949 0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.669 2.454 -0.316 1.00 0.00 H new ATOM 0 HG LEU A 52 2.348 1.384 2.486 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.284 2.760 3.148 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.754 1.453 2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.606 3.122 1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.034 3.768 3.011 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.272 4.173 1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.867 3.201 1.793 1.00 0.00 H new ATOM 789 N SER A 53 -0.695 2.091 -0.617 1.00 0.00 N ATOM 790 CA SER A 53 -1.545 2.812 -1.556 1.00 0.00 C ATOM 791 C SER A 53 -1.709 4.280 -1.169 1.00 0.00 C ATOM 792 O SER A 53 -1.880 4.613 0.004 1.00 0.00 O ATOM 793 CB SER A 53 -2.909 2.132 -1.649 1.00 0.00 C ATOM 794 OG SER A 53 -2.812 0.908 -2.359 1.00 0.00 O ATOM 0 H SER A 53 -1.085 1.994 0.321 1.00 0.00 H new ATOM 0 HA SER A 53 -1.059 2.787 -2.531 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.298 1.947 -0.648 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.617 2.793 -2.149 1.00 0.00 H new ATOM 0 HG SER A 53 -3.242 0.195 -1.842 1.00 0.00 H new ATOM 800 N ASP A 54 -1.651 5.151 -2.173 1.00 0.00 N ATOM 801 CA ASP A 54 -1.785 6.591 -1.963 1.00 0.00 C ATOM 802 C ASP A 54 -3.244 6.997 -1.767 1.00 0.00 C ATOM 803 O ASP A 54 -3.524 8.121 -1.357 1.00 0.00 O ATOM 804 CB ASP A 54 -1.192 7.355 -3.149 1.00 0.00 C ATOM 805 CG ASP A 54 -1.997 7.170 -4.425 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.923 6.331 -4.426 1.00 0.00 O ATOM 807 OD2 ASP A 54 -1.701 7.863 -5.420 1.00 0.00 O ATOM 0 H ASP A 54 -1.511 4.883 -3.147 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.238 6.844 -1.055 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.143 8.416 -2.905 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.169 7.020 -3.318 1.00 0.00 H new ATOM 812 N ILE A 55 -4.162 6.079 -2.072 1.00 0.00 N ATOM 813 CA ILE A 55 -5.597 6.332 -1.937 1.00 0.00 C ATOM 814 C ILE A 55 -6.012 7.636 -2.619 1.00 0.00 C ATOM 815 O ILE A 55 -6.162 8.676 -1.977 1.00 0.00 O ATOM 816 CB ILE A 55 -6.036 6.332 -0.452 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.551 6.524 -0.331 1.00 0.00 C ATOM 818 CG2 ILE A 55 -5.296 7.395 0.349 1.00 0.00 C ATOM 819 CD1 ILE A 55 -8.025 6.690 1.099 1.00 0.00 C ATOM 0 H ILE A 55 -3.935 5.146 -2.417 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.109 5.514 -2.443 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.777 5.359 -0.034 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.846 7.401 -0.908 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.055 5.666 -0.776 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.629 7.366 1.386 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.224 7.202 0.307 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.505 8.379 -0.072 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.107 6.821 1.111 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.761 5.803 1.675 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.548 7.565 1.541 1.00 0.00 H new ATOM 831 N ARG A 56 -6.216 7.559 -3.934 1.00 0.00 N ATOM 832 CA ARG A 56 -6.632 8.715 -4.727 1.00 0.00 C ATOM 833 C ARG A 56 -6.691 8.358 -6.215 1.00 0.00 C ATOM 834 O ARG A 56 -5.872 7.577 -6.700 1.00 0.00 O ATOM 835 CB ARG A 56 -5.669 9.891 -4.516 1.00 0.00 C ATOM 836 CG ARG A 56 -4.233 9.579 -4.905 1.00 0.00 C ATOM 837 CD ARG A 56 -3.243 10.085 -3.865 1.00 0.00 C ATOM 838 NE ARG A 56 -3.408 11.512 -3.591 1.00 0.00 N ATOM 839 CZ ARG A 56 -3.803 12.013 -2.420 1.00 0.00 C ATOM 840 NH1 ARG A 56 -4.099 11.211 -1.403 1.00 0.00 N ATOM 841 NH2 ARG A 56 -3.904 13.326 -2.267 1.00 0.00 N ATOM 0 H ARG A 56 -6.099 6.702 -4.475 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.628 9.008 -4.394 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.017 10.744 -5.099 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.696 10.188 -3.468 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.115 8.502 -5.026 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.011 10.034 -5.870 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.371 9.522 -2.940 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.227 9.899 -4.213 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.208 12.168 -4.346 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.025 10.200 -1.513 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.400 11.607 -0.512 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.680 13.949 -3.043 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.206 13.714 -1.373 1.00 0.00 H new ATOM 855 N MET A 57 -7.650 8.965 -6.932 1.00 0.00 N ATOM 856 CA MET A 57 -7.836 8.763 -8.380 1.00 0.00 C ATOM 857 C MET A 57 -8.902 7.718 -8.778 1.00 0.00 C ATOM 858 O MET A 57 -9.767 8.033 -9.596 1.00 0.00 O ATOM 859 CB MET A 57 -6.510 8.403 -9.040 1.00 0.00 C ATOM 860 CG MET A 57 -6.490 8.663 -10.535 1.00 0.00 C ATOM 861 SD MET A 57 -5.023 7.996 -11.340 1.00 0.00 S ATOM 862 CE MET A 57 -5.360 8.415 -13.048 1.00 0.00 C ATOM 0 H MET A 57 -8.322 9.613 -6.522 1.00 0.00 H new ATOM 0 HA MET A 57 -8.214 9.720 -8.740 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.711 8.975 -8.569 1.00 0.00 H new ATOM 0 HB3 MET A 57 -6.297 7.349 -8.859 1.00 0.00 H new ATOM 0 HG2 MET A 57 -7.379 8.223 -10.988 1.00 0.00 H new ATOM 0 HG3 MET A 57 -6.540 9.737 -10.713 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.540 8.067 -13.677 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.287 7.937 -13.364 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.458 9.496 -13.145 1.00 0.00 H new ATOM 872 N PRO A 58 -8.883 6.470 -8.263 1.00 0.00 N ATOM 873 CA PRO A 58 -9.882 5.464 -8.658 1.00 0.00 C ATOM 874 C PRO A 58 -11.307 5.918 -8.364 1.00 0.00 C ATOM 875 O PRO A 58 -11.519 6.983 -7.786 1.00 0.00 O ATOM 876 CB PRO A 58 -9.519 4.233 -7.819 1.00 0.00 C ATOM 877 CG PRO A 58 -8.689 4.768 -6.707 1.00 0.00 C ATOM 878 CD PRO A 58 -7.928 5.923 -7.293 1.00 0.00 C ATOM 0 HA PRO A 58 -9.861 5.274 -9.731 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.411 3.733 -7.442 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -8.968 3.500 -8.408 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.312 5.091 -5.873 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.011 4.006 -6.322 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.655 6.656 -6.534 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.003 5.600 -7.771 1.00 0.00 H new ATOM 886 N GLY A 59 -12.283 5.102 -8.770 1.00 0.00 N ATOM 887 CA GLY A 59 -13.685 5.434 -8.546 1.00 0.00 C ATOM 888 C GLY A 59 -13.932 6.005 -7.165 1.00 0.00 C ATOM 889 O GLY A 59 -14.135 7.209 -7.009 1.00 0.00 O ATOM 0 H GLY A 59 -12.127 4.216 -9.251 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.009 6.155 -9.297 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.293 4.539 -8.680 1.00 0.00 H new ATOM 893 N MET A 60 -13.902 5.137 -6.164 1.00 0.00 N ATOM 894 CA MET A 60 -14.106 5.546 -4.778 1.00 0.00 C ATOM 895 C MET A 60 -12.917 6.376 -4.280 1.00 0.00 C ATOM 896 O MET A 60 -12.284 6.034 -3.277 1.00 0.00 O ATOM 897 CB MET A 60 -14.292 4.311 -3.891 1.00 0.00 C ATOM 898 CG MET A 60 -15.345 4.483 -2.809 1.00 0.00 C ATOM 899 SD MET A 60 -14.626 4.908 -1.213 1.00 0.00 S ATOM 900 CE MET A 60 -15.932 4.392 -0.100 1.00 0.00 C ATOM 0 H MET A 60 -13.737 4.138 -6.285 1.00 0.00 H new ATOM 0 HA MET A 60 -15.004 6.162 -4.726 1.00 0.00 H new ATOM 0 HB2 MET A 60 -14.565 3.463 -4.519 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.339 4.066 -3.421 1.00 0.00 H new ATOM 0 HG2 MET A 60 -16.045 5.263 -3.108 1.00 0.00 H new ATOM 0 HG3 MET A 60 -15.917 3.560 -2.713 1.00 0.00 H new ATOM 0 HE1 MET A 60 -15.506 4.151 0.874 1.00 0.00 H new ATOM 0 HE2 MET A 60 -16.656 5.199 0.010 1.00 0.00 H new ATOM 0 HE3 MET A 60 -16.430 3.511 -0.506 1.00 0.00 H new ATOM 910 N ASP A 61 -12.623 7.460 -4.999 1.00 0.00 N ATOM 911 CA ASP A 61 -11.519 8.348 -4.656 1.00 0.00 C ATOM 912 C ASP A 61 -10.206 7.577 -4.593 1.00 0.00 C ATOM 913 O ASP A 61 -9.416 7.597 -5.537 1.00 0.00 O ATOM 914 CB ASP A 61 -11.789 9.047 -3.321 1.00 0.00 C ATOM 915 CG ASP A 61 -12.181 10.502 -3.495 1.00 0.00 C ATOM 916 OD1 ASP A 61 -11.404 11.256 -4.118 1.00 0.00 O ATOM 917 OD2 ASP A 61 -13.263 10.887 -3.005 1.00 0.00 O ATOM 0 H ASP A 61 -13.142 7.743 -5.830 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.436 9.105 -5.436 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.584 8.521 -2.793 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.898 8.987 -2.696 1.00 0.00 H new ATOM 922 N GLY A 62 -9.982 6.900 -3.477 1.00 0.00 N ATOM 923 CA GLY A 62 -8.768 6.134 -3.311 1.00 0.00 C ATOM 924 C GLY A 62 -9.006 4.777 -2.688 1.00 0.00 C ATOM 925 O GLY A 62 -8.318 3.815 -3.020 1.00 0.00 O ATOM 0 H GLY A 62 -10.621 6.868 -2.683 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.292 6.003 -4.283 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.072 6.697 -2.688 1.00 0.00 H new ATOM 929 N LEU A 63 -9.974 4.686 -1.779 1.00 0.00 N ATOM 930 CA LEU A 63 -10.256 3.417 -1.130 1.00 0.00 C ATOM 931 C LEU A 63 -10.729 2.382 -2.144 1.00 0.00 C ATOM 932 O LEU A 63 -10.736 1.185 -1.863 1.00 0.00 O ATOM 933 CB LEU A 63 -11.289 3.561 -0.009 1.00 0.00 C ATOM 934 CG LEU A 63 -10.860 4.453 1.154 1.00 0.00 C ATOM 935 CD1 LEU A 63 -11.308 5.887 0.922 1.00 0.00 C ATOM 936 CD2 LEU A 63 -11.394 3.912 2.470 1.00 0.00 C ATOM 0 H LEU A 63 -10.564 5.463 -1.482 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.323 3.077 -0.682 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.210 3.961 -0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.521 2.570 0.380 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.771 4.449 1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.993 6.507 1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.859 6.264 0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.394 5.919 0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.077 4.562 3.286 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.483 3.879 2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.005 2.907 2.635 1.00 0.00 H new ATOM 948 N ALA A 64 -11.117 2.847 -3.330 1.00 0.00 N ATOM 949 CA ALA A 64 -11.583 1.953 -4.379 1.00 0.00 C ATOM 950 C ALA A 64 -10.566 0.854 -4.664 1.00 0.00 C ATOM 951 O ALA A 64 -10.911 -0.326 -4.729 1.00 0.00 O ATOM 952 CB ALA A 64 -11.862 2.739 -5.643 1.00 0.00 C ATOM 0 H ALA A 64 -11.117 3.835 -3.585 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.503 1.481 -4.035 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.210 2.062 -6.423 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.628 3.488 -5.444 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.948 3.233 -5.973 1.00 0.00 H new ATOM 958 N LEU A 65 -9.310 1.253 -4.836 1.00 0.00 N ATOM 959 CA LEU A 65 -8.238 0.306 -5.119 1.00 0.00 C ATOM 960 C LEU A 65 -8.232 -0.835 -4.105 1.00 0.00 C ATOM 961 O LEU A 65 -8.010 -1.991 -4.463 1.00 0.00 O ATOM 962 CB LEU A 65 -6.883 1.021 -5.120 1.00 0.00 C ATOM 963 CG LEU A 65 -6.494 1.683 -3.798 1.00 0.00 C ATOM 964 CD1 LEU A 65 -5.701 0.715 -2.937 1.00 0.00 C ATOM 965 CD2 LEU A 65 -5.695 2.957 -4.052 1.00 0.00 C ATOM 0 H LEU A 65 -9.010 2.226 -4.784 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.414 -0.119 -6.107 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.110 0.300 -5.388 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.893 1.782 -5.900 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.405 1.953 -3.264 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.431 1.200 -1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.307 -0.167 -2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.795 0.416 -3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.427 3.414 -3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.788 2.713 -4.606 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.298 3.655 -4.633 1.00 0.00 H new ATOM 977 N LEU A 66 -8.487 -0.506 -2.842 1.00 0.00 N ATOM 978 CA LEU A 66 -8.515 -1.514 -1.787 1.00 0.00 C ATOM 979 C LEU A 66 -9.541 -2.589 -2.114 1.00 0.00 C ATOM 980 O LEU A 66 -9.250 -3.781 -2.046 1.00 0.00 O ATOM 981 CB LEU A 66 -8.825 -0.876 -0.431 1.00 0.00 C ATOM 982 CG LEU A 66 -7.673 -0.076 0.178 1.00 0.00 C ATOM 983 CD1 LEU A 66 -7.753 1.380 -0.253 1.00 0.00 C ATOM 984 CD2 LEU A 66 -7.689 -0.189 1.695 1.00 0.00 C ATOM 0 H LEU A 66 -8.676 0.445 -2.525 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.529 -1.975 -1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.687 -0.218 -0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.113 -1.662 0.268 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.733 -0.491 -0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.926 1.936 0.189 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.692 1.442 -1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.698 1.807 0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.862 0.386 2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.632 0.200 2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.584 -1.235 1.983 1.00 0.00 H new ATOM 996 N LYS A 67 -10.740 -2.165 -2.491 1.00 0.00 N ATOM 997 CA LYS A 67 -11.793 -3.107 -2.850 1.00 0.00 C ATOM 998 C LYS A 67 -11.263 -4.129 -3.857 1.00 0.00 C ATOM 999 O LYS A 67 -11.501 -5.328 -3.732 1.00 0.00 O ATOM 1000 CB LYS A 67 -12.997 -2.373 -3.438 1.00 0.00 C ATOM 1001 CG LYS A 67 -13.751 -1.529 -2.421 1.00 0.00 C ATOM 1002 CD LYS A 67 -13.865 -0.080 -2.868 1.00 0.00 C ATOM 1003 CE LYS A 67 -15.271 0.459 -2.666 1.00 0.00 C ATOM 1004 NZ LYS A 67 -16.200 -0.011 -3.730 1.00 0.00 N ATOM 0 H LYS A 67 -11.007 -1.183 -2.556 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.111 -3.627 -1.946 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.659 -1.731 -4.252 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.681 -3.103 -3.871 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.748 -1.943 -2.272 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.240 -1.574 -1.460 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.157 0.531 -2.308 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.592 -0.001 -3.920 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.645 0.144 -1.692 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.246 1.549 -2.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.149 0.377 -3.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.857 0.311 -4.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.244 -1.050 -3.719 1.00 0.00 H new ATOM 1018 N GLN A 68 -10.530 -3.648 -4.852 1.00 0.00 N ATOM 1019 CA GLN A 68 -9.958 -4.528 -5.862 1.00 0.00 C ATOM 1020 C GLN A 68 -8.916 -5.451 -5.231 1.00 0.00 C ATOM 1021 O GLN A 68 -8.658 -6.547 -5.729 1.00 0.00 O ATOM 1022 CB GLN A 68 -9.310 -3.714 -6.985 1.00 0.00 C ATOM 1023 CG GLN A 68 -10.231 -2.682 -7.617 1.00 0.00 C ATOM 1024 CD GLN A 68 -11.387 -3.312 -8.369 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -12.407 -3.666 -7.780 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -11.233 -3.452 -9.681 1.00 0.00 N ATOM 0 H GLN A 68 -10.318 -2.659 -4.981 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.763 -5.129 -6.283 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.430 -3.206 -6.590 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.962 -4.397 -7.760 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.623 -2.026 -6.839 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.656 -2.058 -8.300 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.370 -3.144 -10.129 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -11.978 -3.867 -10.241 1.00 0.00 H new ATOM 1035 N ILE A 69 -8.317 -4.992 -4.133 1.00 0.00 N ATOM 1036 CA ILE A 69 -7.298 -5.760 -3.425 1.00 0.00 C ATOM 1037 C ILE A 69 -7.870 -7.050 -2.851 1.00 0.00 C ATOM 1038 O ILE A 69 -7.220 -8.095 -2.878 1.00 0.00 O ATOM 1039 CB ILE A 69 -6.657 -4.929 -2.289 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -5.836 -3.778 -2.874 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -5.786 -5.805 -1.396 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -5.333 -2.805 -1.836 1.00 0.00 C ATOM 0 H ILE A 69 -8.523 -4.085 -3.713 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.529 -6.013 -4.155 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.457 -4.514 -1.676 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.985 -4.189 -3.417 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.446 -3.239 -3.599 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.347 -5.196 -0.606 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.396 -6.592 -0.952 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.991 -6.254 -1.991 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.760 -2.017 -2.324 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.180 -2.365 -1.309 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.696 -3.330 -1.124 1.00 0.00 H new ATOM 1054 N LYS A 70 -9.079 -6.971 -2.332 1.00 0.00 N ATOM 1055 CA LYS A 70 -9.731 -8.134 -1.749 1.00 0.00 C ATOM 1056 C LYS A 70 -10.204 -9.090 -2.832 1.00 0.00 C ATOM 1057 O LYS A 70 -10.325 -10.294 -2.603 1.00 0.00 O ATOM 1058 CB LYS A 70 -10.911 -7.713 -0.866 1.00 0.00 C ATOM 1059 CG LYS A 70 -12.130 -7.231 -1.634 1.00 0.00 C ATOM 1060 CD LYS A 70 -13.091 -6.473 -0.730 1.00 0.00 C ATOM 1061 CE LYS A 70 -13.943 -5.489 -1.515 1.00 0.00 C ATOM 1062 NZ LYS A 70 -15.072 -6.162 -2.214 1.00 0.00 N ATOM 0 H LYS A 70 -9.633 -6.115 -2.300 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.998 -8.649 -1.127 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.201 -8.558 -0.241 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.582 -6.919 -0.195 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.814 -6.586 -2.454 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.643 -8.084 -2.079 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.737 -7.181 -0.211 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.527 -5.938 0.034 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.336 -4.730 -0.839 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.320 -4.973 -2.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.627 -5.455 -2.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.697 -6.869 -2.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.681 -6.633 -1.515 1.00 0.00 H new ATOM 1076 N GLN A 71 -10.481 -8.543 -4.006 1.00 0.00 N ATOM 1077 CA GLN A 71 -10.954 -9.342 -5.120 1.00 0.00 C ATOM 1078 C GLN A 71 -9.804 -9.954 -5.915 1.00 0.00 C ATOM 1079 O GLN A 71 -9.931 -11.050 -6.460 1.00 0.00 O ATOM 1080 CB GLN A 71 -11.830 -8.498 -6.045 1.00 0.00 C ATOM 1081 CG GLN A 71 -13.201 -8.182 -5.470 1.00 0.00 C ATOM 1082 CD GLN A 71 -13.803 -6.922 -6.060 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -14.707 -6.983 -6.895 1.00 0.00 O ATOM 1084 NE2 GLN A 71 -13.301 -5.772 -5.629 1.00 0.00 N ATOM 0 H GLN A 71 -10.385 -7.548 -4.209 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.543 -10.159 -4.703 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.314 -7.563 -6.266 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.955 -9.024 -6.991 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -13.871 -9.022 -5.655 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -13.121 -8.070 -4.389 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.552 -5.770 -4.936 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.664 -4.890 -5.990 1.00 0.00 H new ATOM 1093 N ARG A 72 -8.696 -9.232 -5.999 1.00 0.00 N ATOM 1094 CA ARG A 72 -7.537 -9.704 -6.758 1.00 0.00 C ATOM 1095 C ARG A 72 -6.396 -10.164 -5.856 1.00 0.00 C ATOM 1096 O ARG A 72 -5.674 -11.104 -6.186 1.00 0.00 O ATOM 1097 CB ARG A 72 -7.037 -8.606 -7.702 1.00 0.00 C ATOM 1098 CG ARG A 72 -7.686 -8.635 -9.078 1.00 0.00 C ATOM 1099 CD ARG A 72 -9.159 -8.263 -9.017 1.00 0.00 C ATOM 1100 NE ARG A 72 -9.939 -8.974 -10.030 1.00 0.00 N ATOM 1101 CZ ARG A 72 -11.063 -8.508 -10.569 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -11.562 -7.340 -10.184 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -11.695 -9.219 -11.493 1.00 0.00 N ATOM 0 H ARG A 72 -8.571 -8.322 -5.555 1.00 0.00 H new ATOM 0 HA ARG A 72 -7.868 -10.567 -7.336 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.222 -7.634 -7.244 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.958 -8.703 -7.818 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.164 -7.944 -9.740 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.580 -9.631 -9.509 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.552 -8.494 -8.027 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.269 -7.188 -9.161 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.600 -9.884 -10.343 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -11.083 -6.792 -9.469 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -12.424 -6.991 -10.603 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.319 -10.120 -11.789 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.557 -8.865 -11.908 1.00 0.00 H new ATOM 1117 N HIS A 73 -6.228 -9.494 -4.727 1.00 0.00 N ATOM 1118 CA HIS A 73 -5.157 -9.837 -3.792 1.00 0.00 C ATOM 1119 C HIS A 73 -5.691 -10.689 -2.640 1.00 0.00 C ATOM 1120 O HIS A 73 -6.752 -10.399 -2.087 1.00 0.00 O ATOM 1121 CB HIS A 73 -4.482 -8.576 -3.238 1.00 0.00 C ATOM 1122 CG HIS A 73 -4.451 -7.422 -4.198 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -4.120 -6.135 -3.831 1.00 0.00 N ATOM 1124 CD2 HIS A 73 -4.729 -7.367 -5.519 1.00 0.00 C ATOM 1125 CE1 HIS A 73 -4.207 -5.343 -4.888 1.00 0.00 C ATOM 1126 NE2 HIS A 73 -4.576 -6.071 -5.918 1.00 0.00 N ATOM 0 H HIS A 73 -6.814 -8.713 -4.433 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.415 -10.415 -4.342 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.003 -8.267 -2.332 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -3.460 -8.822 -2.949 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -3.850 -5.840 -2.893 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -5.019 -8.198 -6.145 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.009 -4.281 -4.902 1.00 0.00 H new ATOM 1135 N PRO A 74 -4.963 -11.754 -2.264 1.00 0.00 N ATOM 1136 CA PRO A 74 -5.363 -12.645 -1.187 1.00 0.00 C ATOM 1137 C PRO A 74 -4.769 -12.242 0.154 1.00 0.00 C ATOM 1138 O PRO A 74 -3.611 -12.539 0.450 1.00 0.00 O ATOM 1139 CB PRO A 74 -4.784 -13.977 -1.641 1.00 0.00 C ATOM 1140 CG PRO A 74 -3.530 -13.615 -2.376 1.00 0.00 C ATOM 1141 CD PRO A 74 -3.691 -12.187 -2.858 1.00 0.00 C ATOM 0 HA PRO A 74 -6.441 -12.648 -1.025 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -4.572 -14.627 -0.792 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -5.481 -14.513 -2.286 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.662 -13.705 -1.723 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -3.368 -14.289 -3.217 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.863 -11.559 -2.530 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.720 -12.134 -3.946 1.00 0.00 H new ATOM 1149 N MET A 75 -5.576 -11.584 0.972 1.00 0.00 N ATOM 1150 CA MET A 75 -5.147 -11.157 2.292 1.00 0.00 C ATOM 1151 C MET A 75 -3.845 -10.365 2.232 1.00 0.00 C ATOM 1152 O MET A 75 -3.085 -10.326 3.199 1.00 0.00 O ATOM 1153 CB MET A 75 -4.987 -12.384 3.173 1.00 0.00 C ATOM 1154 CG MET A 75 -6.309 -12.986 3.620 1.00 0.00 C ATOM 1155 SD MET A 75 -6.284 -13.519 5.345 1.00 0.00 S ATOM 1156 CE MET A 75 -8.020 -13.383 5.766 1.00 0.00 C ATOM 0 H MET A 75 -6.538 -11.333 0.741 1.00 0.00 H new ATOM 0 HA MET A 75 -5.903 -10.493 2.712 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.418 -13.139 2.631 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.403 -12.116 4.053 1.00 0.00 H new ATOM 0 HG2 MET A 75 -7.103 -12.252 3.482 1.00 0.00 H new ATOM 0 HG3 MET A 75 -6.549 -13.838 2.984 1.00 0.00 H new ATOM 0 HE1 MET A 75 -8.167 -13.679 6.805 1.00 0.00 H new ATOM 0 HE2 MET A 75 -8.347 -12.352 5.633 1.00 0.00 H new ATOM 0 HE3 MET A 75 -8.604 -14.035 5.117 1.00 0.00 H new ATOM 1166 N LEU A 76 -3.595 -9.731 1.090 1.00 0.00 N ATOM 1167 CA LEU A 76 -2.387 -8.939 0.908 1.00 0.00 C ATOM 1168 C LEU A 76 -2.435 -7.671 1.761 1.00 0.00 C ATOM 1169 O LEU A 76 -3.249 -6.782 1.511 1.00 0.00 O ATOM 1170 CB LEU A 76 -2.215 -8.563 -0.565 1.00 0.00 C ATOM 1171 CG LEU A 76 -1.001 -7.684 -0.865 1.00 0.00 C ATOM 1172 CD1 LEU A 76 0.255 -8.532 -0.971 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -1.222 -6.893 -2.145 1.00 0.00 C ATOM 0 H LEU A 76 -4.213 -9.751 0.279 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.537 -9.542 1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.137 -9.478 -1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.113 -8.044 -0.900 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.871 -6.980 -0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.110 -7.891 -1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.421 -9.056 -0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.137 -9.259 -1.775 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.349 -6.272 -2.344 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.375 -7.581 -2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.101 -6.258 -2.033 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.564 -7.566 2.782 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.523 -6.393 3.661 1.00 0.00 C ATOM 1187 C PRO A 77 -1.361 -5.097 2.879 1.00 0.00 C ATOM 1188 O PRO A 77 -0.428 -4.947 2.091 1.00 0.00 O ATOM 1189 CB PRO A 77 -0.298 -6.649 4.542 1.00 0.00 C ATOM 1190 CG PRO A 77 -0.130 -8.127 4.531 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.555 -8.572 3.161 1.00 0.00 C ATOM 0 HA PRO A 77 -2.447 -6.271 4.226 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.586 -6.147 4.148 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.453 -6.275 5.554 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.905 -8.405 4.730 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.740 -8.597 5.302 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.283 -8.586 2.464 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.974 -9.578 3.176 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.274 -4.161 3.106 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.239 -2.874 2.427 1.00 0.00 C ATOM 1201 C VAL A 78 -2.073 -1.737 3.425 1.00 0.00 C ATOM 1202 O VAL A 78 -2.544 -1.817 4.557 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.522 -2.615 1.613 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -3.295 -1.487 0.620 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -3.983 -3.876 0.899 1.00 0.00 C ATOM 0 H VAL A 78 -3.051 -4.271 3.758 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.386 -2.909 1.749 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.311 -2.318 2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.208 -1.314 0.051 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.024 -0.578 1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.489 -1.759 -0.062 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.890 -3.663 0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.202 -4.215 0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.188 -4.655 1.633 1.00 0.00 H new ATOM 1215 N ILE A 79 -1.408 -0.674 2.995 1.00 0.00 N ATOM 1216 CA ILE A 79 -1.190 0.484 3.849 1.00 0.00 C ATOM 1217 C ILE A 79 -1.638 1.759 3.148 1.00 0.00 C ATOM 1218 O ILE A 79 -1.068 2.151 2.130 1.00 0.00 O ATOM 1219 CB ILE A 79 0.289 0.615 4.249 1.00 0.00 C ATOM 1220 CG1 ILE A 79 0.830 -0.732 4.739 1.00 0.00 C ATOM 1221 CG2 ILE A 79 0.456 1.680 5.319 1.00 0.00 C ATOM 1222 CD1 ILE A 79 2.044 -1.215 3.978 1.00 0.00 C ATOM 0 H ILE A 79 -1.010 -0.590 2.060 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.784 0.338 4.752 1.00 0.00 H new ATOM 0 HB ILE A 79 0.861 0.917 3.372 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.085 -0.648 5.796 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.041 -1.480 4.660 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.508 1.760 5.591 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.106 2.639 4.936 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.126 1.406 6.199 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.369 -2.174 4.382 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.790 -1.332 2.925 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.849 -0.487 4.078 1.00 0.00 H new ATOM 1234 N ILE A 80 -2.674 2.392 3.683 1.00 0.00 N ATOM 1235 CA ILE A 80 -3.205 3.610 3.089 1.00 0.00 C ATOM 1236 C ILE A 80 -2.704 4.858 3.811 1.00 0.00 C ATOM 1237 O ILE A 80 -2.523 4.856 5.029 1.00 0.00 O ATOM 1238 CB ILE A 80 -4.746 3.590 3.076 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -5.247 2.210 2.652 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -5.283 4.653 2.141 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.756 1.788 1.285 1.00 0.00 C ATOM 0 H ILE A 80 -3.161 2.083 4.524 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.844 3.648 2.061 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.106 3.803 4.082 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.927 1.473 3.389 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.337 2.211 2.654 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.373 4.624 2.145 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.945 5.634 2.473 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.919 4.467 1.131 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.149 0.800 1.046 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.098 2.504 0.538 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.666 1.755 1.284 1.00 0.00 H new ATOM 1253 N MET A 81 -2.459 5.913 3.039 1.00 0.00 N ATOM 1254 CA MET A 81 -1.951 7.172 3.580 1.00 0.00 C ATOM 1255 C MET A 81 -3.077 8.084 4.066 1.00 0.00 C ATOM 1256 O MET A 81 -2.945 8.750 5.092 1.00 0.00 O ATOM 1257 CB MET A 81 -1.133 7.897 2.513 1.00 0.00 C ATOM 1258 CG MET A 81 -1.922 8.204 1.251 1.00 0.00 C ATOM 1259 SD MET A 81 -1.017 9.263 0.107 1.00 0.00 S ATOM 1260 CE MET A 81 -1.469 10.886 0.717 1.00 0.00 C ATOM 0 H MET A 81 -2.605 5.921 2.030 1.00 0.00 H new ATOM 0 HA MET A 81 -1.323 6.932 4.438 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.752 8.829 2.930 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.268 7.287 2.252 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.178 7.270 0.751 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.861 8.687 1.522 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.806 11.635 0.284 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.499 11.106 0.436 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.377 10.905 1.803 1.00 0.00 H new ATOM 1270 N THR A 82 -4.171 8.121 3.316 1.00 0.00 N ATOM 1271 CA THR A 82 -5.310 8.967 3.663 1.00 0.00 C ATOM 1272 C THR A 82 -6.574 8.118 3.808 1.00 0.00 C ATOM 1273 O THR A 82 -6.591 6.959 3.408 1.00 0.00 O ATOM 1274 CB THR A 82 -5.508 10.034 2.580 1.00 0.00 C ATOM 1275 OG1 THR A 82 -4.255 10.524 2.121 1.00 0.00 O ATOM 1276 CG2 THR A 82 -6.317 11.227 3.047 1.00 0.00 C ATOM 0 H THR A 82 -4.295 7.576 2.463 1.00 0.00 H new ATOM 0 HA THR A 82 -5.113 9.459 4.616 1.00 0.00 H new ATOM 0 HB THR A 82 -6.057 9.532 1.783 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.383 11.393 1.687 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.417 11.941 2.230 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.306 10.895 3.362 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.810 11.704 3.886 1.00 0.00 H new ATOM 1284 N ALA A 83 -7.628 8.688 4.384 1.00 0.00 N ATOM 1285 CA ALA A 83 -8.880 7.953 4.569 1.00 0.00 C ATOM 1286 C ALA A 83 -10.106 8.822 4.269 1.00 0.00 C ATOM 1287 O ALA A 83 -11.153 8.311 3.873 1.00 0.00 O ATOM 1288 CB ALA A 83 -8.963 7.404 5.985 1.00 0.00 C ATOM 0 H ALA A 83 -7.644 9.648 4.729 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.881 7.126 3.859 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.899 6.859 6.110 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.125 6.731 6.164 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.925 8.228 6.698 1.00 0.00 H new ATOM 1294 N HIS A 84 -9.963 10.135 4.470 1.00 0.00 N ATOM 1295 CA HIS A 84 -11.048 11.102 4.241 1.00 0.00 C ATOM 1296 C HIS A 84 -12.412 10.544 4.673 1.00 0.00 C ATOM 1297 O HIS A 84 -12.481 9.605 5.468 1.00 0.00 O ATOM 1298 CB HIS A 84 -11.080 11.551 2.774 1.00 0.00 C ATOM 1299 CG HIS A 84 -10.704 10.485 1.798 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -9.414 10.289 1.367 1.00 0.00 N ATOM 1301 CD2 HIS A 84 -11.458 9.559 1.166 1.00 0.00 C ATOM 1302 CE1 HIS A 84 -9.387 9.288 0.510 1.00 0.00 C ATOM 1303 NE2 HIS A 84 -10.615 8.825 0.368 1.00 0.00 N ATOM 0 H HIS A 84 -9.095 10.560 4.795 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.843 11.974 4.862 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -12.082 11.908 2.537 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -10.403 12.396 2.650 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -8.604 10.833 1.664 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -12.524 9.422 1.269 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -8.508 8.910 0.008 1.00 0.00 H new ATOM 1312 N SER A 85 -13.495 11.142 4.170 1.00 0.00 N ATOM 1313 CA SER A 85 -14.848 10.719 4.526 1.00 0.00 C ATOM 1314 C SER A 85 -15.321 9.518 3.702 1.00 0.00 C ATOM 1315 O SER A 85 -16.475 9.468 3.275 1.00 0.00 O ATOM 1316 CB SER A 85 -15.823 11.881 4.342 1.00 0.00 C ATOM 1317 OG SER A 85 -17.119 11.536 4.798 1.00 0.00 O ATOM 0 H SER A 85 -13.459 11.922 3.514 1.00 0.00 H new ATOM 0 HA SER A 85 -14.823 10.411 5.571 1.00 0.00 H new ATOM 0 HB2 SER A 85 -15.462 12.753 4.888 1.00 0.00 H new ATOM 0 HB3 SER A 85 -15.867 12.160 3.289 1.00 0.00 H new ATOM 0 HG SER A 85 -17.383 10.675 4.412 1.00 0.00 H new ATOM 1323 N ASP A 86 -14.441 8.546 3.498 1.00 0.00 N ATOM 1324 CA ASP A 86 -14.796 7.349 2.744 1.00 0.00 C ATOM 1325 C ASP A 86 -14.341 6.093 3.478 1.00 0.00 C ATOM 1326 O ASP A 86 -14.283 5.010 2.895 1.00 0.00 O ATOM 1327 CB ASP A 86 -14.178 7.385 1.347 1.00 0.00 C ATOM 1328 CG ASP A 86 -14.871 8.374 0.429 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -15.455 9.351 0.943 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -14.832 8.170 -0.803 1.00 0.00 O ATOM 0 H ASP A 86 -13.481 8.562 3.842 1.00 0.00 H new ATOM 0 HA ASP A 86 -15.881 7.326 2.647 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.123 7.647 1.427 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.227 6.389 0.906 1.00 0.00 H new ATOM 1335 N LEU A 87 -14.024 6.243 4.766 1.00 0.00 N ATOM 1336 CA LEU A 87 -13.571 5.126 5.593 1.00 0.00 C ATOM 1337 C LEU A 87 -14.424 3.875 5.383 1.00 0.00 C ATOM 1338 O LEU A 87 -13.982 2.761 5.662 1.00 0.00 O ATOM 1339 CB LEU A 87 -13.579 5.531 7.071 1.00 0.00 C ATOM 1340 CG LEU A 87 -12.202 5.610 7.730 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -12.314 6.199 9.128 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -11.546 4.238 7.777 1.00 0.00 C ATOM 0 H LEU A 87 -14.074 7.134 5.260 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.553 4.881 5.288 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.065 6.503 7.163 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.189 4.816 7.624 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.572 6.266 7.129 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.325 6.248 9.583 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.736 7.202 9.067 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.962 5.569 9.737 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.567 4.319 8.250 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.172 3.555 8.352 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.428 3.856 6.763 1.00 0.00 H new ATOM 1354 N ASP A 88 -15.645 4.058 4.890 1.00 0.00 N ATOM 1355 CA ASP A 88 -16.547 2.936 4.645 1.00 0.00 C ATOM 1356 C ASP A 88 -15.835 1.815 3.887 1.00 0.00 C ATOM 1357 O ASP A 88 -15.879 0.653 4.293 1.00 0.00 O ATOM 1358 CB ASP A 88 -17.769 3.401 3.855 1.00 0.00 C ATOM 1359 CG ASP A 88 -18.627 4.374 4.639 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -18.058 5.198 5.388 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -19.868 4.312 4.506 1.00 0.00 O ATOM 0 H ASP A 88 -16.033 4.971 4.652 1.00 0.00 H new ATOM 0 HA ASP A 88 -16.871 2.548 5.611 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -17.441 3.874 2.929 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -18.369 2.535 3.576 1.00 0.00 H new ATOM 1366 N ALA A 89 -15.174 2.171 2.789 1.00 0.00 N ATOM 1367 CA ALA A 89 -14.450 1.194 1.988 1.00 0.00 C ATOM 1368 C ALA A 89 -13.206 0.703 2.719 1.00 0.00 C ATOM 1369 O ALA A 89 -12.682 -0.370 2.421 1.00 0.00 O ATOM 1370 CB ALA A 89 -14.073 1.780 0.634 1.00 0.00 C ATOM 0 H ALA A 89 -15.126 3.127 2.436 1.00 0.00 H new ATOM 0 HA ALA A 89 -15.109 0.341 1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -13.533 1.033 0.052 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -14.977 2.072 0.100 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.439 2.654 0.780 1.00 0.00 H new ATOM 1376 N ALA A 90 -12.740 1.492 3.681 1.00 0.00 N ATOM 1377 CA ALA A 90 -11.560 1.133 4.458 1.00 0.00 C ATOM 1378 C ALA A 90 -11.813 -0.121 5.278 1.00 0.00 C ATOM 1379 O ALA A 90 -10.903 -0.917 5.511 1.00 0.00 O ATOM 1380 CB ALA A 90 -11.157 2.278 5.379 1.00 0.00 C ATOM 0 H ALA A 90 -13.161 2.384 3.941 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.747 0.936 3.760 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.274 1.992 5.951 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.932 3.162 4.783 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.976 2.500 6.063 1.00 0.00 H new ATOM 1386 N VAL A 91 -13.052 -0.290 5.727 1.00 0.00 N ATOM 1387 CA VAL A 91 -13.407 -1.449 6.532 1.00 0.00 C ATOM 1388 C VAL A 91 -13.304 -2.737 5.728 1.00 0.00 C ATOM 1389 O VAL A 91 -12.778 -3.737 6.216 1.00 0.00 O ATOM 1390 CB VAL A 91 -14.812 -1.339 7.149 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -14.939 -2.330 8.294 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -15.086 0.078 7.635 1.00 0.00 C ATOM 0 H VAL A 91 -13.821 0.356 5.548 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.685 -1.475 7.348 1.00 0.00 H new ATOM 0 HB VAL A 91 -15.552 -1.575 6.384 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -15.934 -2.254 8.733 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -14.785 -3.342 7.918 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -14.190 -2.107 9.053 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -16.086 0.128 8.067 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -14.350 0.352 8.391 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -15.018 0.770 6.796 1.00 0.00 H new ATOM 1402 N SER A 92 -13.783 -2.713 4.488 1.00 0.00 N ATOM 1403 CA SER A 92 -13.705 -3.894 3.636 1.00 0.00 C ATOM 1404 C SER A 92 -12.247 -4.296 3.430 1.00 0.00 C ATOM 1405 O SER A 92 -11.948 -5.431 3.061 1.00 0.00 O ATOM 1406 CB SER A 92 -14.373 -3.640 2.284 1.00 0.00 C ATOM 1407 OG SER A 92 -15.680 -3.115 2.449 1.00 0.00 O ATOM 0 H SER A 92 -14.223 -1.901 4.056 1.00 0.00 H new ATOM 0 HA SER A 92 -14.235 -4.707 4.132 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.769 -2.944 1.702 1.00 0.00 H new ATOM 0 HB3 SER A 92 -14.421 -4.570 1.718 1.00 0.00 H new ATOM 0 HG SER A 92 -16.084 -2.960 1.570 1.00 0.00 H new ATOM 1413 N ALA A 93 -11.343 -3.352 3.676 1.00 0.00 N ATOM 1414 CA ALA A 93 -9.920 -3.593 3.531 1.00 0.00 C ATOM 1415 C ALA A 93 -9.369 -4.419 4.689 1.00 0.00 C ATOM 1416 O ALA A 93 -8.728 -5.448 4.485 1.00 0.00 O ATOM 1417 CB ALA A 93 -9.188 -2.271 3.426 1.00 0.00 C ATOM 0 H ALA A 93 -11.579 -2.407 3.979 1.00 0.00 H new ATOM 0 HA ALA A 93 -9.762 -4.168 2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.119 -2.455 3.317 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.552 -1.721 2.558 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -9.365 -1.684 4.327 1.00 0.00 H new ATOM 1423 N TYR A 94 -9.608 -3.957 5.901 1.00 0.00 N ATOM 1424 CA TYR A 94 -9.122 -4.657 7.090 1.00 0.00 C ATOM 1425 C TYR A 94 -9.632 -6.088 7.121 1.00 0.00 C ATOM 1426 O TYR A 94 -8.956 -6.995 7.609 1.00 0.00 O ATOM 1427 CB TYR A 94 -9.555 -3.943 8.375 1.00 0.00 C ATOM 1428 CG TYR A 94 -9.545 -2.438 8.279 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -8.375 -1.754 7.989 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -10.707 -1.702 8.477 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -8.359 -0.377 7.897 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -10.702 -0.322 8.385 1.00 0.00 C ATOM 1433 CZ TYR A 94 -9.523 0.337 8.095 1.00 0.00 C ATOM 1434 OH TYR A 94 -9.507 1.713 8.002 1.00 0.00 O ATOM 0 H TYR A 94 -10.133 -3.104 6.095 1.00 0.00 H new ATOM 0 HA TYR A 94 -8.033 -4.660 7.037 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -10.560 -4.272 8.639 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -8.895 -4.249 9.187 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.461 -2.308 7.832 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -11.629 -2.216 8.706 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.438 0.140 7.671 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -11.613 0.237 8.539 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.754 1.994 7.442 1.00 0.00 H new ATOM 1444 N GLN A 95 -10.833 -6.279 6.604 1.00 0.00 N ATOM 1445 CA GLN A 95 -11.448 -7.597 6.578 1.00 0.00 C ATOM 1446 C GLN A 95 -10.848 -8.459 5.473 1.00 0.00 C ATOM 1447 O GLN A 95 -10.756 -9.680 5.614 1.00 0.00 O ATOM 1448 CB GLN A 95 -12.963 -7.473 6.403 1.00 0.00 C ATOM 1449 CG GLN A 95 -13.379 -6.913 5.057 1.00 0.00 C ATOM 1450 CD GLN A 95 -13.488 -7.979 3.984 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -13.340 -9.168 4.260 1.00 0.00 O ATOM 1452 NE2 GLN A 95 -13.744 -7.557 2.749 1.00 0.00 N ATOM 0 H GLN A 95 -11.403 -5.538 6.196 1.00 0.00 H new ATOM 0 HA GLN A 95 -11.246 -8.086 7.531 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -13.416 -8.456 6.533 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -13.359 -6.832 7.191 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.340 -6.408 5.160 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.656 -6.161 4.743 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -13.860 -6.561 2.564 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -13.825 -8.230 1.987 1.00 0.00 H new ATOM 1461 N GLN A 96 -10.425 -7.827 4.381 1.00 0.00 N ATOM 1462 CA GLN A 96 -9.825 -8.563 3.279 1.00 0.00 C ATOM 1463 C GLN A 96 -8.343 -8.826 3.538 1.00 0.00 C ATOM 1464 O GLN A 96 -7.754 -9.716 2.926 1.00 0.00 O ATOM 1465 CB GLN A 96 -10.013 -7.830 1.946 1.00 0.00 C ATOM 1466 CG GLN A 96 -9.369 -6.455 1.893 1.00 0.00 C ATOM 1467 CD GLN A 96 -7.928 -6.500 1.420 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -7.400 -7.564 1.099 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -7.285 -5.338 1.373 1.00 0.00 N ATOM 0 H GLN A 96 -10.487 -6.819 4.239 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.339 -9.522 3.211 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.599 -8.443 1.146 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -11.080 -7.727 1.749 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.946 -5.814 1.226 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.408 -6.002 2.884 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.762 -4.480 1.649 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.314 -5.304 1.061 1.00 0.00 H new ATOM 1478 N GLY A 97 -7.745 -8.068 4.460 1.00 0.00 N ATOM 1479 CA GLY A 97 -6.342 -8.274 4.779 1.00 0.00 C ATOM 1480 C GLY A 97 -5.518 -6.996 4.835 1.00 0.00 C ATOM 1481 O GLY A 97 -4.303 -7.057 5.012 1.00 0.00 O ATOM 0 H GLY A 97 -8.203 -7.323 4.985 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.271 -8.781 5.742 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.906 -8.941 4.035 1.00 0.00 H new ATOM 1485 N ALA A 98 -6.157 -5.837 4.689 1.00 0.00 N ATOM 1486 CA ALA A 98 -5.430 -4.570 4.731 1.00 0.00 C ATOM 1487 C ALA A 98 -4.678 -4.406 6.050 1.00 0.00 C ATOM 1488 O ALA A 98 -5.014 -5.044 7.048 1.00 0.00 O ATOM 1489 CB ALA A 98 -6.371 -3.397 4.513 1.00 0.00 C ATOM 0 H ALA A 98 -7.163 -5.748 4.543 1.00 0.00 H new ATOM 0 HA ALA A 98 -4.700 -4.584 3.922 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.806 -2.466 4.549 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.852 -3.492 3.540 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.131 -3.390 5.294 1.00 0.00 H new ATOM 1495 N PHE A 99 -3.655 -3.554 6.047 1.00 0.00 N ATOM 1496 CA PHE A 99 -2.855 -3.319 7.241 1.00 0.00 C ATOM 1497 C PHE A 99 -3.488 -2.260 8.138 1.00 0.00 C ATOM 1498 O PHE A 99 -3.709 -2.497 9.324 1.00 0.00 O ATOM 1499 CB PHE A 99 -1.436 -2.890 6.860 1.00 0.00 C ATOM 1500 CG PHE A 99 -0.473 -2.910 8.015 1.00 0.00 C ATOM 1501 CD1 PHE A 99 -0.430 -3.993 8.877 1.00 0.00 C ATOM 1502 CD2 PHE A 99 0.387 -1.845 8.237 1.00 0.00 C ATOM 1503 CE1 PHE A 99 0.454 -4.016 9.941 1.00 0.00 C ATOM 1504 CE2 PHE A 99 1.273 -1.861 9.298 1.00 0.00 C ATOM 1505 CZ PHE A 99 1.307 -2.949 10.152 1.00 0.00 C ATOM 0 H PHE A 99 -3.363 -3.017 5.231 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.812 -4.257 7.795 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.064 -3.549 6.076 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.469 -1.884 6.442 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.094 -4.829 8.717 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.364 -0.993 7.573 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.478 -4.867 10.606 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.938 -1.025 9.460 1.00 0.00 H new ATOM 0 HZ PHE A 99 1.998 -2.965 10.982 1.00 0.00 H new ATOM 1515 N ASP A 100 -3.777 -1.091 7.568 1.00 0.00 N ATOM 1516 CA ASP A 100 -4.382 0.002 8.328 1.00 0.00 C ATOM 1517 C ASP A 100 -4.545 1.254 7.466 1.00 0.00 C ATOM 1518 O ASP A 100 -4.475 1.188 6.239 1.00 0.00 O ATOM 1519 CB ASP A 100 -3.535 0.326 9.562 1.00 0.00 C ATOM 1520 CG ASP A 100 -4.384 0.661 10.772 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -4.826 1.825 10.881 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -4.609 -0.237 11.609 1.00 0.00 O ATOM 0 H ASP A 100 -3.603 -0.877 6.586 1.00 0.00 H new ATOM 0 HA ASP A 100 -5.372 -0.324 8.648 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -2.895 -0.525 9.794 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -2.878 1.166 9.338 1.00 0.00 H new ATOM 1527 N TYR A 101 -4.764 2.392 8.122 1.00 0.00 N ATOM 1528 CA TYR A 101 -4.941 3.663 7.429 1.00 0.00 C ATOM 1529 C TYR A 101 -4.207 4.776 8.163 1.00 0.00 C ATOM 1530 O TYR A 101 -4.017 4.708 9.377 1.00 0.00 O ATOM 1531 CB TYR A 101 -6.430 4.014 7.335 1.00 0.00 C ATOM 1532 CG TYR A 101 -7.078 3.594 6.041 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -7.545 2.299 5.859 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -7.230 4.499 5.006 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -8.146 1.923 4.675 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -7.826 4.129 3.821 1.00 0.00 C ATOM 1537 CZ TYR A 101 -8.284 2.842 3.658 1.00 0.00 C ATOM 1538 OH TYR A 101 -8.884 2.475 2.475 1.00 0.00 O ATOM 0 H TYR A 101 -4.823 2.458 9.138 1.00 0.00 H new ATOM 0 HA TYR A 101 -4.529 3.563 6.425 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -6.957 3.541 8.164 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -6.547 5.091 7.455 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -7.436 1.577 6.654 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.876 5.512 5.129 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.506 0.913 4.546 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -7.934 4.847 3.022 1.00 0.00 H new ATOM 0 HH TYR A 101 -8.453 2.944 1.730 1.00 0.00 H new ATOM 1548 N LEU A 102 -3.801 5.803 7.426 1.00 0.00 N ATOM 1549 CA LEU A 102 -3.099 6.928 8.019 1.00 0.00 C ATOM 1550 C LEU A 102 -4.019 8.138 8.148 1.00 0.00 C ATOM 1551 O LEU A 102 -4.572 8.616 7.156 1.00 0.00 O ATOM 1552 CB LEU A 102 -1.879 7.288 7.177 1.00 0.00 C ATOM 1553 CG LEU A 102 -0.540 6.903 7.795 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -0.501 5.417 8.097 1.00 0.00 C ATOM 1555 CD2 LEU A 102 0.595 7.272 6.864 1.00 0.00 C ATOM 0 H LEU A 102 -3.947 5.877 6.419 1.00 0.00 H new ATOM 0 HA LEU A 102 -2.772 6.638 9.017 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -1.969 6.801 6.206 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.884 8.363 6.996 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.423 7.453 8.729 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.462 5.160 8.538 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.298 5.167 8.797 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.639 4.854 7.174 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.545 6.991 7.319 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.476 6.744 5.918 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.583 8.347 6.684 1.00 0.00 H new ATOM 1567 N PRO A 103 -4.198 8.655 9.375 1.00 0.00 N ATOM 1568 CA PRO A 103 -5.058 9.815 9.614 1.00 0.00 C ATOM 1569 C PRO A 103 -4.510 11.087 8.973 1.00 0.00 C ATOM 1570 O PRO A 103 -5.022 11.548 7.953 1.00 0.00 O ATOM 1571 CB PRO A 103 -5.086 9.945 11.142 1.00 0.00 C ATOM 1572 CG PRO A 103 -3.875 9.219 11.627 1.00 0.00 C ATOM 1573 CD PRO A 103 -3.579 8.150 10.614 1.00 0.00 C ATOM 0 HA PRO A 103 -6.046 9.681 9.174 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.065 10.991 11.447 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.996 9.511 11.556 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -3.030 9.900 11.729 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.053 8.782 12.610 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.506 8.001 10.493 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -4.003 7.190 10.910 1.00 0.00 H new ATOM 1581 N LYS A 104 -3.469 11.652 9.576 1.00 0.00 N ATOM 1582 CA LYS A 104 -2.857 12.874 9.063 1.00 0.00 C ATOM 1583 C LYS A 104 -1.421 12.635 8.588 1.00 0.00 C ATOM 1584 O LYS A 104 -1.113 12.849 7.415 1.00 0.00 O ATOM 1585 CB LYS A 104 -2.891 13.976 10.125 1.00 0.00 C ATOM 1586 CG LYS A 104 -3.974 15.015 9.878 1.00 0.00 C ATOM 1587 CD LYS A 104 -4.519 15.581 11.179 1.00 0.00 C ATOM 1588 CE LYS A 104 -3.602 16.653 11.742 1.00 0.00 C ATOM 1589 NZ LYS A 104 -2.567 16.082 12.647 1.00 0.00 N ATOM 0 H LYS A 104 -3.031 11.284 10.420 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.440 13.195 8.200 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.048 13.523 11.104 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.921 14.472 10.155 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -3.570 15.825 9.270 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -4.787 14.565 9.309 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -5.510 16.001 11.008 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -4.634 14.778 11.907 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -3.115 17.181 10.922 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -4.195 17.388 12.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -2.073 16.853 13.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -3.022 15.460 13.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -1.882 15.533 12.089 1.00 0.00 H new ATOM 1603 N PRO A 105 -0.512 12.200 9.483 1.00 0.00 N ATOM 1604 CA PRO A 105 0.890 11.950 9.122 1.00 0.00 C ATOM 1605 C PRO A 105 1.031 10.950 7.977 1.00 0.00 C ATOM 1606 O PRO A 105 0.097 10.214 7.661 1.00 0.00 O ATOM 1607 CB PRO A 105 1.512 11.385 10.406 1.00 0.00 C ATOM 1608 CG PRO A 105 0.357 10.981 11.260 1.00 0.00 C ATOM 1609 CD PRO A 105 -0.761 11.920 10.907 1.00 0.00 C ATOM 0 HA PRO A 105 1.376 12.859 8.768 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.157 10.534 10.189 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.128 12.132 10.906 1.00 0.00 H new ATOM 0 HG2 PRO A 105 0.073 9.946 11.070 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.609 11.053 12.318 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.738 11.464 11.065 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -0.732 12.828 11.509 1.00 0.00 H new ATOM 1617 N PHE A 106 2.212 10.928 7.364 1.00 0.00 N ATOM 1618 CA PHE A 106 2.490 10.018 6.261 1.00 0.00 C ATOM 1619 C PHE A 106 3.979 10.036 5.912 1.00 0.00 C ATOM 1620 O PHE A 106 4.776 9.389 6.586 1.00 0.00 O ATOM 1621 CB PHE A 106 1.633 10.367 5.034 1.00 0.00 C ATOM 1622 CG PHE A 106 1.975 9.566 3.803 1.00 0.00 C ATOM 1623 CD1 PHE A 106 1.863 8.184 3.801 1.00 0.00 C ATOM 1624 CD2 PHE A 106 2.411 10.197 2.648 1.00 0.00 C ATOM 1625 CE1 PHE A 106 2.181 7.449 2.676 1.00 0.00 C ATOM 1626 CE2 PHE A 106 2.728 9.467 1.517 1.00 0.00 C ATOM 1627 CZ PHE A 106 2.614 8.091 1.532 1.00 0.00 C ATOM 0 H PHE A 106 2.993 11.534 7.615 1.00 0.00 H new ATOM 0 HA PHE A 106 2.227 9.008 6.576 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.583 10.208 5.279 1.00 0.00 H new ATOM 0 HB3 PHE A 106 1.751 11.427 4.810 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.523 7.676 4.691 1.00 0.00 H new ATOM 0 HD2 PHE A 106 2.504 11.273 2.631 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.091 6.373 2.691 1.00 0.00 H new ATOM 0 HE2 PHE A 106 3.064 9.972 0.624 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.863 7.518 0.651 1.00 0.00 H new ATOM 1637 N ASP A 107 4.357 10.771 4.862 1.00 0.00 N ATOM 1638 CA ASP A 107 5.756 10.850 4.437 1.00 0.00 C ATOM 1639 C ASP A 107 6.432 9.476 4.506 1.00 0.00 C ATOM 1640 O ASP A 107 5.787 8.471 4.796 1.00 0.00 O ATOM 1641 CB ASP A 107 6.519 11.881 5.284 1.00 0.00 C ATOM 1642 CG ASP A 107 7.010 11.324 6.609 1.00 0.00 C ATOM 1643 OD1 ASP A 107 6.185 11.167 7.532 1.00 0.00 O ATOM 1644 OD2 ASP A 107 8.224 11.054 6.723 1.00 0.00 O ATOM 0 H ASP A 107 3.713 11.319 4.291 1.00 0.00 H new ATOM 0 HA ASP A 107 5.777 11.178 3.398 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.372 12.249 4.714 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.870 12.736 5.475 1.00 0.00 H new ATOM 1649 N ILE A 108 7.725 9.428 4.231 1.00 0.00 N ATOM 1650 CA ILE A 108 8.450 8.164 4.274 1.00 0.00 C ATOM 1651 C ILE A 108 8.560 7.628 5.696 1.00 0.00 C ATOM 1652 O ILE A 108 8.443 6.427 5.931 1.00 0.00 O ATOM 1653 CB ILE A 108 9.840 8.283 3.617 1.00 0.00 C ATOM 1654 CG1 ILE A 108 9.874 7.446 2.344 1.00 0.00 C ATOM 1655 CG2 ILE A 108 10.948 7.847 4.563 1.00 0.00 C ATOM 1656 CD1 ILE A 108 8.861 7.883 1.309 1.00 0.00 C ATOM 0 H ILE A 108 8.291 10.238 3.978 1.00 0.00 H new ATOM 0 HA ILE A 108 7.872 7.445 3.694 1.00 0.00 H new ATOM 0 HB ILE A 108 10.013 9.331 3.373 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.872 7.500 1.910 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.693 6.402 2.600 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.912 7.945 4.064 1.00 0.00 H new ATOM 0 HG22 ILE A 108 10.935 8.476 5.453 1.00 0.00 H new ATOM 0 HG23 ILE A 108 10.793 6.807 4.851 1.00 0.00 H new ATOM 0 HD11 ILE A 108 8.941 7.244 0.429 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.857 7.803 1.726 1.00 0.00 H new ATOM 0 HD13 ILE A 108 9.054 8.917 1.025 1.00 0.00 H new ATOM 1668 N ASP A 109 8.803 8.525 6.634 1.00 0.00 N ATOM 1669 CA ASP A 109 8.953 8.147 8.037 1.00 0.00 C ATOM 1670 C ASP A 109 7.777 7.296 8.519 1.00 0.00 C ATOM 1671 O ASP A 109 7.971 6.169 8.964 1.00 0.00 O ATOM 1672 CB ASP A 109 9.092 9.390 8.919 1.00 0.00 C ATOM 1673 CG ASP A 109 10.416 10.099 8.718 1.00 0.00 C ATOM 1674 OD1 ASP A 109 11.468 9.440 8.855 1.00 0.00 O ATOM 1675 OD2 ASP A 109 10.402 11.313 8.426 1.00 0.00 O ATOM 0 H ASP A 109 8.902 9.524 6.454 1.00 0.00 H new ATOM 0 HA ASP A 109 9.861 7.549 8.117 1.00 0.00 H new ATOM 0 HB2 ASP A 109 8.277 10.080 8.700 1.00 0.00 H new ATOM 0 HB3 ASP A 109 8.993 9.102 9.966 1.00 0.00 H new ATOM 1680 N GLU A 110 6.565 7.835 8.432 1.00 0.00 N ATOM 1681 CA GLU A 110 5.377 7.109 8.869 1.00 0.00 C ATOM 1682 C GLU A 110 4.990 6.024 7.872 1.00 0.00 C ATOM 1683 O GLU A 110 4.454 4.985 8.253 1.00 0.00 O ATOM 1684 CB GLU A 110 4.198 8.064 9.086 1.00 0.00 C ATOM 1685 CG GLU A 110 4.337 8.940 10.318 1.00 0.00 C ATOM 1686 CD GLU A 110 3.459 8.476 11.466 1.00 0.00 C ATOM 1687 OE1 GLU A 110 3.006 7.313 11.435 1.00 0.00 O ATOM 1688 OE2 GLU A 110 3.223 9.279 12.394 1.00 0.00 O ATOM 0 H GLU A 110 6.380 8.768 8.064 1.00 0.00 H new ATOM 0 HA GLU A 110 5.621 6.632 9.818 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.093 8.702 8.208 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.281 7.481 9.168 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.378 8.944 10.641 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.079 9.967 10.060 1.00 0.00 H new ATOM 1695 N ALA A 111 5.268 6.269 6.598 1.00 0.00 N ATOM 1696 CA ALA A 111 4.947 5.303 5.557 1.00 0.00 C ATOM 1697 C ALA A 111 5.848 4.082 5.668 1.00 0.00 C ATOM 1698 O ALA A 111 5.373 2.972 5.904 1.00 0.00 O ATOM 1699 CB ALA A 111 5.060 5.938 4.180 1.00 0.00 C ATOM 0 H ALA A 111 5.713 7.124 6.262 1.00 0.00 H new ATOM 0 HA ALA A 111 3.915 4.979 5.694 1.00 0.00 H new ATOM 0 HB1 ALA A 111 4.816 5.199 3.417 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.367 6.776 4.108 1.00 0.00 H new ATOM 0 HB3 ALA A 111 6.078 6.295 4.026 1.00 0.00 H new ATOM 1705 N VAL A 112 7.153 4.293 5.519 1.00 0.00 N ATOM 1706 CA VAL A 112 8.109 3.198 5.630 1.00 0.00 C ATOM 1707 C VAL A 112 7.978 2.519 6.983 1.00 0.00 C ATOM 1708 O VAL A 112 8.215 1.321 7.125 1.00 0.00 O ATOM 1709 CB VAL A 112 9.558 3.680 5.456 1.00 0.00 C ATOM 1710 CG1 VAL A 112 10.513 2.498 5.528 1.00 0.00 C ATOM 1711 CG2 VAL A 112 9.719 4.433 4.143 1.00 0.00 C ATOM 0 H VAL A 112 7.569 5.204 5.323 1.00 0.00 H new ATOM 0 HA VAL A 112 7.880 2.493 4.830 1.00 0.00 H new ATOM 0 HB VAL A 112 9.800 4.368 6.266 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.537 2.850 5.404 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.413 2.008 6.496 1.00 0.00 H new ATOM 0 HG13 VAL A 112 10.274 1.789 4.736 1.00 0.00 H new ATOM 0 HG21 VAL A 112 10.752 4.766 4.039 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.464 3.775 3.312 1.00 0.00 H new ATOM 0 HG23 VAL A 112 9.056 5.298 4.136 1.00 0.00 H new ATOM 1721 N ALA A 113 7.591 3.294 7.975 1.00 0.00 N ATOM 1722 CA ALA A 113 7.408 2.771 9.314 1.00 0.00 C ATOM 1723 C ALA A 113 6.266 1.772 9.322 1.00 0.00 C ATOM 1724 O ALA A 113 6.390 0.663 9.837 1.00 0.00 O ATOM 1725 CB ALA A 113 7.124 3.900 10.288 1.00 0.00 C ATOM 0 H ALA A 113 7.397 4.291 7.879 1.00 0.00 H new ATOM 0 HA ALA A 113 8.324 2.269 9.626 1.00 0.00 H new ATOM 0 HB1 ALA A 113 6.989 3.491 11.289 1.00 0.00 H new ATOM 0 HB2 ALA A 113 7.962 4.598 10.291 1.00 0.00 H new ATOM 0 HB3 ALA A 113 6.217 4.423 9.984 1.00 0.00 H new ATOM 1731 N LEU A 114 5.150 2.187 8.739 1.00 0.00 N ATOM 1732 CA LEU A 114 3.963 1.352 8.667 1.00 0.00 C ATOM 1733 C LEU A 114 4.136 0.198 7.684 1.00 0.00 C ATOM 1734 O LEU A 114 3.422 -0.802 7.772 1.00 0.00 O ATOM 1735 CB LEU A 114 2.753 2.202 8.274 1.00 0.00 C ATOM 1736 CG LEU A 114 1.392 1.635 8.692 1.00 0.00 C ATOM 1737 CD1 LEU A 114 1.300 1.520 10.205 1.00 0.00 C ATOM 1738 CD2 LEU A 114 0.263 2.508 8.165 1.00 0.00 C ATOM 0 H LEU A 114 5.044 3.105 8.306 1.00 0.00 H new ATOM 0 HA LEU A 114 3.801 0.919 9.654 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.867 3.192 8.715 1.00 0.00 H new ATOM 0 HB3 LEU A 114 2.757 2.332 7.192 1.00 0.00 H new ATOM 0 HG LEU A 114 1.294 0.639 8.260 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.326 1.116 10.481 1.00 0.00 H new ATOM 0 HD12 LEU A 114 2.085 0.856 10.568 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.423 2.506 10.653 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.695 2.089 8.472 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.364 3.516 8.568 1.00 0.00 H new ATOM 0 HD23 LEU A 114 0.310 2.546 7.077 1.00 0.00 H new ATOM 1750 N VAL A 115 5.074 0.329 6.747 1.00 0.00 N ATOM 1751 CA VAL A 115 5.296 -0.732 5.769 1.00 0.00 C ATOM 1752 C VAL A 115 6.126 -1.870 6.357 1.00 0.00 C ATOM 1753 O VAL A 115 5.781 -3.042 6.213 1.00 0.00 O ATOM 1754 CB VAL A 115 5.957 -0.218 4.467 1.00 0.00 C ATOM 1755 CG1 VAL A 115 7.448 0.012 4.648 1.00 0.00 C ATOM 1756 CG2 VAL A 115 5.708 -1.196 3.327 1.00 0.00 C ATOM 0 H VAL A 115 5.681 1.142 6.645 1.00 0.00 H new ATOM 0 HA VAL A 115 4.307 -1.110 5.510 1.00 0.00 H new ATOM 0 HB VAL A 115 5.502 0.741 4.221 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.877 0.372 3.713 1.00 0.00 H new ATOM 0 HG12 VAL A 115 7.609 0.753 5.431 1.00 0.00 H new ATOM 0 HG13 VAL A 115 7.929 -0.924 4.930 1.00 0.00 H new ATOM 0 HG21 VAL A 115 6.178 -0.822 2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 115 6.132 -2.167 3.582 1.00 0.00 H new ATOM 0 HG23 VAL A 115 4.635 -1.300 3.164 1.00 0.00 H new ATOM 1766 N GLU A 116 7.222 -1.516 7.018 1.00 0.00 N ATOM 1767 CA GLU A 116 8.097 -2.509 7.625 1.00 0.00 C ATOM 1768 C GLU A 116 7.384 -3.226 8.764 1.00 0.00 C ATOM 1769 O GLU A 116 7.441 -4.450 8.873 1.00 0.00 O ATOM 1770 CB GLU A 116 9.374 -1.842 8.137 1.00 0.00 C ATOM 1771 CG GLU A 116 10.311 -1.394 7.026 1.00 0.00 C ATOM 1772 CD GLU A 116 11.632 -0.873 7.552 1.00 0.00 C ATOM 1773 OE1 GLU A 116 11.677 0.295 7.993 1.00 0.00 O ATOM 1774 OE2 GLU A 116 12.623 -1.633 7.524 1.00 0.00 O ATOM 0 H GLU A 116 7.525 -0.550 7.147 1.00 0.00 H new ATOM 0 HA GLU A 116 8.363 -3.246 6.867 1.00 0.00 H new ATOM 0 HB2 GLU A 116 9.105 -0.978 8.745 1.00 0.00 H new ATOM 0 HB3 GLU A 116 9.902 -2.538 8.788 1.00 0.00 H new ATOM 0 HG2 GLU A 116 10.497 -2.231 6.353 1.00 0.00 H new ATOM 0 HG3 GLU A 116 9.825 -0.615 6.439 1.00 0.00 H new ATOM 1781 N ARG A 117 6.704 -2.455 9.607 1.00 0.00 N ATOM 1782 CA ARG A 117 5.971 -3.025 10.731 1.00 0.00 C ATOM 1783 C ARG A 117 4.894 -3.986 10.237 1.00 0.00 C ATOM 1784 O ARG A 117 4.478 -4.892 10.956 1.00 0.00 O ATOM 1785 CB ARG A 117 5.341 -1.917 11.579 1.00 0.00 C ATOM 1786 CG ARG A 117 6.360 -1.057 12.311 1.00 0.00 C ATOM 1787 CD ARG A 117 5.950 -0.792 13.750 1.00 0.00 C ATOM 1788 NE ARG A 117 6.892 -1.376 14.702 1.00 0.00 N ATOM 1789 CZ ARG A 117 7.558 -0.679 15.623 1.00 0.00 C ATOM 1790 NH1 ARG A 117 7.386 0.633 15.737 1.00 0.00 N ATOM 1791 NH2 ARG A 117 8.401 -1.300 16.438 1.00 0.00 N ATOM 0 H ARG A 117 6.646 -1.439 9.534 1.00 0.00 H new ATOM 0 HA ARG A 117 6.675 -3.580 11.351 1.00 0.00 H new ATOM 0 HB2 ARG A 117 4.735 -1.279 10.936 1.00 0.00 H new ATOM 0 HB3 ARG A 117 4.667 -2.367 12.308 1.00 0.00 H new ATOM 0 HG2 ARG A 117 7.331 -1.552 12.296 1.00 0.00 H new ATOM 0 HG3 ARG A 117 6.478 -0.109 11.787 1.00 0.00 H new ATOM 0 HD2 ARG A 117 5.885 0.283 13.917 1.00 0.00 H new ATOM 0 HD3 ARG A 117 4.956 -1.202 13.925 1.00 0.00 H new ATOM 0 HE ARG A 117 7.050 -2.383 14.659 1.00 0.00 H new ATOM 0 HH11 ARG A 117 6.739 1.118 15.116 1.00 0.00 H new ATOM 0 HH12 ARG A 117 7.901 1.155 16.446 1.00 0.00 H new ATOM 0 HH21 ARG A 117 8.538 -2.308 16.359 1.00 0.00 H new ATOM 0 HH22 ARG A 117 8.912 -0.770 17.144 1.00 0.00 H new ATOM 1805 N ALA A 118 4.455 -3.784 8.999 1.00 0.00 N ATOM 1806 CA ALA A 118 3.436 -4.634 8.399 1.00 0.00 C ATOM 1807 C ALA A 118 3.994 -6.014 8.085 1.00 0.00 C ATOM 1808 O ALA A 118 3.395 -7.033 8.429 1.00 0.00 O ATOM 1809 CB ALA A 118 2.879 -3.992 7.138 1.00 0.00 C ATOM 0 H ALA A 118 4.791 -3.037 8.391 1.00 0.00 H new ATOM 0 HA ALA A 118 2.626 -4.748 9.120 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.119 -4.642 6.704 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.434 -3.029 7.386 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.684 -3.845 6.418 1.00 0.00 H new ATOM 1815 N ILE A 119 5.151 -6.041 7.433 1.00 0.00 N ATOM 1816 CA ILE A 119 5.794 -7.295 7.079 1.00 0.00 C ATOM 1817 C ILE A 119 6.291 -8.016 8.323 1.00 0.00 C ATOM 1818 O ILE A 119 6.339 -9.244 8.372 1.00 0.00 O ATOM 1819 CB ILE A 119 6.982 -7.067 6.126 1.00 0.00 C ATOM 1820 CG1 ILE A 119 6.583 -6.141 4.978 1.00 0.00 C ATOM 1821 CG2 ILE A 119 7.494 -8.390 5.582 1.00 0.00 C ATOM 1822 CD1 ILE A 119 7.685 -5.189 4.582 1.00 0.00 C ATOM 0 H ILE A 119 5.661 -5.207 7.140 1.00 0.00 H new ATOM 0 HA ILE A 119 5.047 -7.907 6.575 1.00 0.00 H new ATOM 0 HB ILE A 119 7.783 -6.591 6.691 1.00 0.00 H new ATOM 0 HG12 ILE A 119 6.301 -6.742 4.114 1.00 0.00 H new ATOM 0 HG13 ILE A 119 5.702 -5.569 5.269 1.00 0.00 H new ATOM 0 HG21 ILE A 119 8.333 -8.207 4.911 1.00 0.00 H new ATOM 0 HG22 ILE A 119 7.821 -9.021 6.408 1.00 0.00 H new ATOM 0 HG23 ILE A 119 6.696 -8.892 5.036 1.00 0.00 H new ATOM 0 HD11 ILE A 119 7.343 -4.557 3.762 1.00 0.00 H new ATOM 0 HD12 ILE A 119 7.950 -4.565 5.435 1.00 0.00 H new ATOM 0 HD13 ILE A 119 8.559 -5.757 4.262 1.00 0.00 H new ATOM 1834 N SER A 120 6.661 -7.233 9.325 1.00 0.00 N ATOM 1835 CA SER A 120 7.161 -7.770 10.581 1.00 0.00 C ATOM 1836 C SER A 120 6.024 -8.331 11.432 1.00 0.00 C ATOM 1837 O SER A 120 6.066 -9.488 11.853 1.00 0.00 O ATOM 1838 CB SER A 120 7.905 -6.684 11.358 1.00 0.00 C ATOM 1839 OG SER A 120 9.000 -7.230 12.073 1.00 0.00 O ATOM 0 H SER A 120 6.624 -6.214 9.291 1.00 0.00 H new ATOM 0 HA SER A 120 7.848 -8.584 10.350 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.262 -5.919 10.669 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.221 -6.195 12.051 1.00 0.00 H new ATOM 0 HG SER A 120 9.461 -6.516 12.561 1.00 0.00 H new ATOM 1845 N HIS A 121 5.013 -7.506 11.685 1.00 0.00 N ATOM 1846 CA HIS A 121 3.870 -7.923 12.492 1.00 0.00 C ATOM 1847 C HIS A 121 3.169 -9.124 11.871 1.00 0.00 C ATOM 1848 O HIS A 121 2.555 -9.928 12.572 1.00 0.00 O ATOM 1849 CB HIS A 121 2.879 -6.769 12.658 1.00 0.00 C ATOM 1850 CG HIS A 121 3.197 -5.867 13.811 1.00 0.00 C ATOM 1851 ND1 HIS A 121 3.913 -4.695 13.675 1.00 0.00 N ATOM 1852 CD2 HIS A 121 2.892 -5.969 15.126 1.00 0.00 C ATOM 1853 CE1 HIS A 121 4.034 -4.117 14.857 1.00 0.00 C ATOM 1854 NE2 HIS A 121 3.423 -4.868 15.753 1.00 0.00 N ATOM 0 H HIS A 121 4.961 -6.546 11.344 1.00 0.00 H new ATOM 0 HA HIS A 121 4.245 -8.212 13.474 1.00 0.00 H new ATOM 0 HB2 HIS A 121 2.863 -6.180 11.741 1.00 0.00 H new ATOM 0 HB3 HIS A 121 1.877 -7.178 12.793 1.00 0.00 H new ATOM 0 HD1 HIS A 121 4.290 -4.332 12.799 1.00 0.00 H new ATOM 0 HD2 HIS A 121 2.335 -6.767 15.595 1.00 0.00 H new ATOM 0 HE1 HIS A 121 4.546 -3.187 15.056 1.00 0.00 H new ATOM 1863 N TYR A 122 3.266 -9.237 10.554 1.00 0.00 N ATOM 1864 CA TYR A 122 2.642 -10.340 9.834 1.00 0.00 C ATOM 1865 C TYR A 122 3.379 -11.647 10.104 1.00 0.00 C ATOM 1866 O TYR A 122 2.801 -12.602 10.622 1.00 0.00 O ATOM 1867 CB TYR A 122 2.618 -10.051 8.332 1.00 0.00 C ATOM 1868 CG TYR A 122 1.563 -10.832 7.581 1.00 0.00 C ATOM 1869 CD1 TYR A 122 0.211 -10.632 7.836 1.00 0.00 C ATOM 1870 CD2 TYR A 122 1.916 -11.770 6.618 1.00 0.00 C ATOM 1871 CE1 TYR A 122 -0.756 -11.345 7.153 1.00 0.00 C ATOM 1872 CE2 TYR A 122 0.955 -12.485 5.932 1.00 0.00 C ATOM 1873 CZ TYR A 122 -0.379 -12.269 6.202 1.00 0.00 C ATOM 1874 OH TYR A 122 -1.340 -12.980 5.521 1.00 0.00 O ATOM 0 H TYR A 122 3.771 -8.578 9.961 1.00 0.00 H new ATOM 0 HA TYR A 122 1.617 -10.441 10.190 1.00 0.00 H new ATOM 0 HB2 TYR A 122 2.447 -8.985 8.178 1.00 0.00 H new ATOM 0 HB3 TYR A 122 3.597 -10.281 7.911 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -0.088 -9.908 8.580 1.00 0.00 H new ATOM 0 HD2 TYR A 122 2.960 -11.942 6.403 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -1.802 -11.179 7.363 1.00 0.00 H new ATOM 0 HE2 TYR A 122 1.247 -13.210 5.187 1.00 0.00 H new ATOM 0 HH TYR A 122 -0.908 -13.588 4.886 1.00 0.00 H new ATOM 1884 N GLN A 123 4.660 -11.684 9.747 1.00 0.00 N ATOM 1885 CA GLN A 123 5.478 -12.874 9.951 1.00 0.00 C ATOM 1886 C GLN A 123 4.843 -14.094 9.288 1.00 0.00 C ATOM 1887 O GLN A 123 3.741 -14.013 8.747 1.00 0.00 O ATOM 1888 CB GLN A 123 5.673 -13.133 11.446 1.00 0.00 C ATOM 1889 CG GLN A 123 6.976 -13.845 11.776 1.00 0.00 C ATOM 1890 CD GLN A 123 7.517 -13.466 13.141 1.00 0.00 C ATOM 1891 OE1 GLN A 123 7.369 -14.213 14.109 1.00 0.00 O ATOM 1892 NE2 GLN A 123 8.147 -12.300 13.226 1.00 0.00 N ATOM 0 H GLN A 123 5.153 -10.903 9.315 1.00 0.00 H new ATOM 0 HA GLN A 123 6.450 -12.700 9.490 1.00 0.00 H new ATOM 0 HB2 GLN A 123 5.644 -12.182 11.978 1.00 0.00 H new ATOM 0 HB3 GLN A 123 4.839 -13.730 11.815 1.00 0.00 H new ATOM 0 HG2 GLN A 123 6.817 -14.923 11.739 1.00 0.00 H new ATOM 0 HG3 GLN A 123 7.719 -13.606 11.015 1.00 0.00 H new ATOM 0 HE21 GLN A 123 8.247 -11.713 12.398 1.00 0.00 H new ATOM 0 HE22 GLN A 123 8.531 -11.992 14.119 1.00 0.00 H new ATOM 1901 N GLU A 124 5.544 -15.222 9.336 1.00 0.00 N ATOM 1902 CA GLU A 124 5.047 -16.456 8.741 1.00 0.00 C ATOM 1903 C GLU A 124 5.266 -17.639 9.681 1.00 0.00 C ATOM 1904 O GLU A 124 4.664 -18.699 9.511 1.00 0.00 O ATOM 1905 CB GLU A 124 5.738 -16.718 7.402 1.00 0.00 C ATOM 1906 CG GLU A 124 5.153 -17.894 6.637 1.00 0.00 C ATOM 1907 CD GLU A 124 4.984 -17.601 5.159 1.00 0.00 C ATOM 1908 OE1 GLU A 124 4.287 -16.622 4.825 1.00 0.00 O ATOM 1909 OE2 GLU A 124 5.548 -18.354 4.336 1.00 0.00 O ATOM 0 H GLU A 124 6.458 -15.306 9.781 1.00 0.00 H new ATOM 0 HA GLU A 124 3.976 -16.342 8.571 1.00 0.00 H new ATOM 0 HB2 GLU A 124 5.668 -15.822 6.785 1.00 0.00 H new ATOM 0 HB3 GLU A 124 6.798 -16.901 7.579 1.00 0.00 H new ATOM 0 HG2 GLU A 124 5.801 -18.762 6.760 1.00 0.00 H new ATOM 0 HG3 GLU A 124 4.185 -18.156 7.065 1.00 0.00 H new TER 1916 GLU A 124