USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 820 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 53 ASN : amide:sc= -0.0678 K(o=-1.6,f=-4.6!) USER MOD Set 1.2: A 73 ASN : amide:sc= -1.49 K(o=-1.6,f=-6.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= -0.592 (180deg=-0.88) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 5 ASN : amide:sc= -0.71 X(o=-0.71,f=-0.89!) USER MOD Single : A 8 LYS NZ :NH3+ -144:sc= -0.655 (180deg=-1.38) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 149:sc= -0.219 (180deg=-1.13) USER MOD Single : A 18 THR OG1 : rot 180:sc=-0.000382 USER MOD Single : A 22 HIS : no HD1:sc= -3.63! C(o=-3.6!,f=-6.1!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 30:sc= -0.028 USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.346) USER MOD Single : A 30 ASN : amide:sc= -1.37 K(o=-1.4,f=-4.5!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -1.93! X(o=-1.9!,f=-1.5) USER MOD Single : A 37 ASN : amide:sc= -0.187 K(o=-0.19,f=-2.9!) USER MOD Single : A 45 ASN : amide:sc= -0.0705 X(o=-0.07,f=-0.0032) USER MOD Single : A 50 ASN : amide:sc= -0.152 K(o=-0.15,f=-1.8!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -2.71! C(o=-2.7!,f=-2.7!) USER MOD Single : A 56 SER OG : rot -70:sc= 1.13 USER MOD Single : A 60 HIS : no HD1:sc= -1.07 X(o=-1.1,f=-1.1) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= -0.393! USER MOD Single : A 76 ASN : amide:sc= -0.375 K(o=-0.37,f=-1.1) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.0077) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -1.05 K(o=-1.1,f=-9!) USER MOD Single : A 91 SER OG : rot -62:sc= 1.17 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -6.04! C(o=-6!,f=-18!) USER MOD Single : A 98 ASN : amide:sc= -0.217 X(o=-0.22,f=-0.47) USER MOD Single : A 99 SER OG : rot -41:sc= 0.0457 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.300 14.510 -8.363 1.00 0.00 N ATOM 2 CA MET A 1 -10.429 14.573 -7.395 1.00 0.00 C ATOM 3 C MET A 1 -10.930 13.160 -7.111 1.00 0.00 C ATOM 4 O MET A 1 -11.181 12.799 -5.961 1.00 0.00 O ATOM 5 CB MET A 1 -11.558 15.426 -7.983 1.00 0.00 C ATOM 6 CG MET A 1 -11.694 15.139 -9.480 1.00 0.00 C ATOM 7 SD MET A 1 -13.087 16.079 -10.151 1.00 0.00 S ATOM 8 CE MET A 1 -12.605 15.986 -11.893 1.00 0.00 C ATOM 0 H1 MET A 1 -9.079 15.468 -8.701 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.464 14.106 -7.895 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.568 13.911 -9.170 1.00 0.00 H new ATOM 0 HA MET A 1 -10.092 15.026 -6.463 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.496 15.206 -7.474 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.349 16.484 -7.823 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.775 15.411 -9.998 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.849 14.073 -9.644 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.340 16.512 -12.502 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.627 16.448 -12.025 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.558 14.942 -12.202 1.00 0.00 H new ATOM 18 N GLU A 2 -11.073 12.363 -8.166 1.00 0.00 N ATOM 19 CA GLU A 2 -11.541 10.990 -8.019 1.00 0.00 C ATOM 20 C GLU A 2 -10.367 10.051 -7.768 1.00 0.00 C ATOM 21 O GLU A 2 -10.418 9.202 -6.879 1.00 0.00 O ATOM 22 CB GLU A 2 -12.282 10.550 -9.283 1.00 0.00 C ATOM 23 CG GLU A 2 -13.622 11.283 -9.372 1.00 0.00 C ATOM 24 CD GLU A 2 -14.284 10.996 -10.715 1.00 0.00 C ATOM 25 OE1 GLU A 2 -15.312 10.338 -10.719 1.00 0.00 O ATOM 26 OE2 GLU A 2 -13.755 11.439 -11.722 1.00 0.00 O ATOM 0 H GLU A 2 -10.873 12.643 -9.126 1.00 0.00 H new ATOM 0 HA GLU A 2 -12.219 10.948 -7.167 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -11.678 10.766 -10.165 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.446 9.473 -9.265 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -14.275 10.964 -8.560 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -13.468 12.356 -9.255 1.00 0.00 H new ATOM 33 N GLN A 3 -9.310 10.210 -8.561 1.00 0.00 N ATOM 34 CA GLN A 3 -8.124 9.373 -8.422 1.00 0.00 C ATOM 35 C GLN A 3 -7.806 9.116 -6.956 1.00 0.00 C ATOM 36 O GLN A 3 -8.020 8.017 -6.445 1.00 0.00 O ATOM 37 CB GLN A 3 -6.927 10.054 -9.089 1.00 0.00 C ATOM 38 CG GLN A 3 -5.741 9.088 -9.117 1.00 0.00 C ATOM 39 CD GLN A 3 -4.624 9.658 -9.985 1.00 0.00 C ATOM 40 OE1 GLN A 3 -4.675 10.823 -10.378 1.00 0.00 O ATOM 41 NE2 GLN A 3 -3.613 8.900 -10.310 1.00 0.00 N ATOM 0 H GLN A 3 -9.252 10.908 -9.303 1.00 0.00 H new ATOM 0 HA GLN A 3 -8.324 8.418 -8.907 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -7.186 10.358 -10.103 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.660 10.959 -8.544 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -5.375 8.919 -8.104 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -6.058 8.121 -9.507 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.573 7.935 -9.983 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.862 9.273 -10.891 1.00 0.00 H new ATOM 50 N PHE A 4 -7.295 10.138 -6.282 1.00 0.00 N ATOM 51 CA PHE A 4 -6.953 10.010 -4.872 1.00 0.00 C ATOM 52 C PHE A 4 -8.073 9.299 -4.123 1.00 0.00 C ATOM 53 O PHE A 4 -7.828 8.400 -3.320 1.00 0.00 O ATOM 54 CB PHE A 4 -6.730 11.394 -4.260 1.00 0.00 C ATOM 55 CG PHE A 4 -5.446 11.982 -4.795 1.00 0.00 C ATOM 56 CD1 PHE A 4 -5.415 12.549 -6.075 1.00 0.00 C ATOM 57 CD2 PHE A 4 -4.288 11.962 -4.009 1.00 0.00 C ATOM 58 CE1 PHE A 4 -4.223 13.094 -6.569 1.00 0.00 C ATOM 59 CE2 PHE A 4 -3.097 12.507 -4.504 1.00 0.00 C ATOM 60 CZ PHE A 4 -3.065 13.072 -5.784 1.00 0.00 C ATOM 0 H PHE A 4 -7.110 11.057 -6.684 1.00 0.00 H new ATOM 0 HA PHE A 4 -6.037 9.425 -4.787 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -7.569 12.048 -4.499 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.683 11.319 -3.174 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.309 12.566 -6.681 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.313 11.526 -3.021 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.198 13.531 -7.556 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.203 12.491 -3.898 1.00 0.00 H new ATOM 0 HZ PHE A 4 -2.146 13.491 -6.166 1.00 0.00 H new ATOM 70 N ASN A 5 -9.303 9.717 -4.389 1.00 0.00 N ATOM 71 CA ASN A 5 -10.461 9.125 -3.734 1.00 0.00 C ATOM 72 C ASN A 5 -10.673 7.681 -4.182 1.00 0.00 C ATOM 73 O ASN A 5 -11.321 6.902 -3.486 1.00 0.00 O ATOM 74 CB ASN A 5 -11.713 9.945 -4.055 1.00 0.00 C ATOM 75 CG ASN A 5 -12.838 9.574 -3.095 1.00 0.00 C ATOM 76 OD1 ASN A 5 -13.314 8.439 -3.103 1.00 0.00 O ATOM 77 ND2 ASN A 5 -13.296 10.470 -2.263 1.00 0.00 N ATOM 0 H ASN A 5 -9.524 10.461 -5.051 1.00 0.00 H new ATOM 0 HA ASN A 5 -10.279 9.129 -2.659 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -11.491 11.009 -3.975 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -12.025 9.761 -5.083 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -14.049 10.230 -1.619 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -12.901 11.410 -2.257 1.00 0.00 H new ATOM 84 N ALA A 6 -10.128 7.323 -5.344 1.00 0.00 N ATOM 85 CA ALA A 6 -10.282 5.962 -5.855 1.00 0.00 C ATOM 86 C ALA A 6 -9.212 5.042 -5.273 1.00 0.00 C ATOM 87 O ALA A 6 -9.518 4.117 -4.521 1.00 0.00 O ATOM 88 CB ALA A 6 -10.185 5.964 -7.383 1.00 0.00 C ATOM 0 H ALA A 6 -9.584 7.946 -5.941 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.262 5.591 -5.554 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.301 4.946 -7.756 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.972 6.594 -7.797 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.213 6.353 -7.685 1.00 0.00 H new ATOM 94 N PHE A 7 -7.958 5.303 -5.625 1.00 0.00 N ATOM 95 CA PHE A 7 -6.852 4.491 -5.130 1.00 0.00 C ATOM 96 C PHE A 7 -6.906 4.388 -3.606 1.00 0.00 C ATOM 97 O PHE A 7 -6.633 3.333 -3.035 1.00 0.00 O ATOM 98 CB PHE A 7 -5.518 5.114 -5.567 1.00 0.00 C ATOM 99 CG PHE A 7 -4.407 4.664 -4.645 1.00 0.00 C ATOM 100 CD1 PHE A 7 -4.213 3.300 -4.397 1.00 0.00 C ATOM 101 CD2 PHE A 7 -3.573 5.611 -4.037 1.00 0.00 C ATOM 102 CE1 PHE A 7 -3.186 2.882 -3.543 1.00 0.00 C ATOM 103 CE2 PHE A 7 -2.546 5.192 -3.182 1.00 0.00 C ATOM 104 CZ PHE A 7 -2.353 3.829 -2.935 1.00 0.00 C ATOM 0 H PHE A 7 -7.683 6.064 -6.246 1.00 0.00 H new ATOM 0 HA PHE A 7 -6.936 3.488 -5.548 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -5.290 4.823 -6.592 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.594 6.201 -5.554 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.856 2.570 -4.865 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -3.722 6.664 -4.227 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.036 1.829 -3.353 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.903 5.922 -2.713 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.561 3.507 -2.275 1.00 0.00 H new ATOM 114 N LYS A 8 -7.250 5.496 -2.958 1.00 0.00 N ATOM 115 CA LYS A 8 -7.325 5.532 -1.501 1.00 0.00 C ATOM 116 C LYS A 8 -8.559 4.797 -0.980 1.00 0.00 C ATOM 117 O LYS A 8 -8.482 4.060 0.013 1.00 0.00 O ATOM 118 CB LYS A 8 -7.369 6.984 -1.024 1.00 0.00 C ATOM 119 CG LYS A 8 -7.085 7.040 0.480 1.00 0.00 C ATOM 120 CD LYS A 8 -7.590 8.367 1.055 1.00 0.00 C ATOM 121 CE LYS A 8 -7.063 9.533 0.213 1.00 0.00 C ATOM 122 NZ LYS A 8 -5.596 9.372 0.003 1.00 0.00 N ATOM 0 H LYS A 8 -7.481 6.378 -3.416 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.439 5.031 -1.111 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.633 7.578 -1.566 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.346 7.418 -1.236 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.574 6.206 0.983 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.015 6.938 0.661 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -8.680 8.378 1.065 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -7.260 8.475 2.088 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.577 9.563 -0.748 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.268 10.479 0.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.139 10.306 0.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.199 8.785 0.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.425 8.912 -0.914 1.00 0.00 H new ATOM 136 N SER A 9 -9.701 4.998 -1.632 1.00 0.00 N ATOM 137 CA SER A 9 -10.913 4.340 -1.173 1.00 0.00 C ATOM 138 C SER A 9 -10.729 2.833 -1.244 1.00 0.00 C ATOM 139 O SER A 9 -11.384 2.083 -0.520 1.00 0.00 O ATOM 140 CB SER A 9 -12.125 4.769 -1.999 1.00 0.00 C ATOM 141 OG SER A 9 -13.222 3.915 -1.701 1.00 0.00 O ATOM 0 H SER A 9 -9.810 5.592 -2.454 1.00 0.00 H new ATOM 0 HA SER A 9 -11.098 4.635 -0.140 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.384 5.804 -1.776 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.890 4.721 -3.062 1.00 0.00 H new ATOM 0 HG SER A 9 -14.002 4.188 -2.228 1.00 0.00 H new ATOM 147 N LEU A 10 -9.815 2.394 -2.107 1.00 0.00 N ATOM 148 CA LEU A 10 -9.538 0.975 -2.238 1.00 0.00 C ATOM 149 C LEU A 10 -8.900 0.475 -0.951 1.00 0.00 C ATOM 150 O LEU A 10 -9.297 -0.549 -0.406 1.00 0.00 O ATOM 151 CB LEU A 10 -8.590 0.726 -3.423 1.00 0.00 C ATOM 152 CG LEU A 10 -8.853 -0.658 -4.032 1.00 0.00 C ATOM 153 CD1 LEU A 10 -7.761 -0.982 -5.056 1.00 0.00 C ATOM 154 CD2 LEU A 10 -8.840 -1.723 -2.932 1.00 0.00 C ATOM 0 H LEU A 10 -9.262 2.996 -2.717 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.469 0.439 -2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.732 1.497 -4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.554 0.794 -3.090 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.828 -0.652 -4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.948 -1.965 -5.488 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.768 -0.231 -5.846 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.789 -0.981 -4.564 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.027 -2.703 -3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.867 -1.726 -2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.616 -1.499 -2.200 1.00 0.00 H new ATOM 166 N LEU A 11 -7.917 1.221 -0.455 1.00 0.00 N ATOM 167 CA LEU A 11 -7.255 0.842 0.784 1.00 0.00 C ATOM 168 C LEU A 11 -8.305 0.542 1.843 1.00 0.00 C ATOM 169 O LEU A 11 -8.347 -0.559 2.385 1.00 0.00 O ATOM 170 CB LEU A 11 -6.338 1.968 1.273 1.00 0.00 C ATOM 171 CG LEU A 11 -5.084 2.044 0.394 1.00 0.00 C ATOM 172 CD1 LEU A 11 -4.381 3.386 0.621 1.00 0.00 C ATOM 173 CD2 LEU A 11 -4.122 0.902 0.754 1.00 0.00 C ATOM 0 H LEU A 11 -7.567 2.077 -0.885 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.648 -0.045 0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.870 2.919 1.245 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.054 1.792 2.311 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.377 1.953 -0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.490 3.440 -0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.057 4.200 0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.095 3.474 1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.234 0.963 0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.832 0.987 1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.617 -0.055 0.591 1.00 0.00 H new ATOM 185 N LYS A 12 -9.162 1.523 2.120 1.00 0.00 N ATOM 186 CA LYS A 12 -10.226 1.341 3.112 1.00 0.00 C ATOM 187 C LYS A 12 -10.692 -0.118 3.154 1.00 0.00 C ATOM 188 O LYS A 12 -10.785 -0.717 4.223 1.00 0.00 O ATOM 189 CB LYS A 12 -11.412 2.247 2.777 1.00 0.00 C ATOM 190 CG LYS A 12 -10.964 3.709 2.815 1.00 0.00 C ATOM 191 CD LYS A 12 -12.184 4.629 2.690 1.00 0.00 C ATOM 192 CE LYS A 12 -13.061 4.515 3.945 1.00 0.00 C ATOM 193 NZ LYS A 12 -13.745 5.817 4.188 1.00 0.00 N ATOM 0 H LYS A 12 -9.144 2.442 1.679 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.827 1.607 4.091 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.804 2.001 1.790 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.220 2.085 3.490 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.437 3.913 3.747 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.264 3.906 2.003 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.859 5.661 2.556 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.763 4.360 1.806 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.798 3.722 3.817 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.450 4.246 4.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.340 5.743 5.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.033 6.562 4.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.340 6.055 3.369 1.00 0.00 H new ATOM 207 N LYS A 13 -10.974 -0.678 1.984 1.00 0.00 N ATOM 208 CA LYS A 13 -11.422 -2.067 1.883 1.00 0.00 C ATOM 209 C LYS A 13 -10.518 -3.020 2.662 1.00 0.00 C ATOM 210 O LYS A 13 -10.994 -3.873 3.411 1.00 0.00 O ATOM 211 CB LYS A 13 -11.411 -2.498 0.415 1.00 0.00 C ATOM 212 CG LYS A 13 -12.469 -1.713 -0.371 1.00 0.00 C ATOM 213 CD LYS A 13 -13.830 -2.419 -0.280 1.00 0.00 C ATOM 214 CE LYS A 13 -13.799 -3.735 -1.069 1.00 0.00 C ATOM 215 NZ LYS A 13 -15.150 -3.998 -1.639 1.00 0.00 N ATOM 0 H LYS A 13 -10.901 -0.193 1.089 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.426 -2.115 2.305 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.425 -2.326 -0.016 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.610 -3.567 0.340 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.549 -0.700 0.025 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.166 -1.625 -1.414 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -14.076 -2.618 0.763 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -14.612 -1.769 -0.673 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -13.060 -3.676 -1.868 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.500 -4.556 -0.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.133 -4.889 -2.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -15.844 -4.070 -0.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -15.417 -3.218 -2.273 1.00 0.00 H new ATOM 229 N HIS A 14 -9.215 -2.879 2.460 1.00 0.00 N ATOM 230 CA HIS A 14 -8.242 -3.747 3.130 1.00 0.00 C ATOM 231 C HIS A 14 -7.753 -3.164 4.456 1.00 0.00 C ATOM 232 O HIS A 14 -7.616 -3.902 5.432 1.00 0.00 O ATOM 233 CB HIS A 14 -7.054 -4.019 2.205 1.00 0.00 C ATOM 234 CG HIS A 14 -6.379 -5.303 2.606 1.00 0.00 C ATOM 235 ND1 HIS A 14 -5.236 -5.326 3.390 1.00 0.00 N ATOM 236 CD2 HIS A 14 -6.678 -6.616 2.339 1.00 0.00 C ATOM 237 CE1 HIS A 14 -4.890 -6.615 3.564 1.00 0.00 C ATOM 238 NE2 HIS A 14 -5.736 -7.442 2.945 1.00 0.00 N ATOM 0 H HIS A 14 -8.804 -2.178 1.843 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.751 -4.683 3.359 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -7.394 -4.083 1.171 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -6.345 -3.193 2.257 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -7.516 -6.956 1.749 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -4.033 -6.941 4.135 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -5.700 -8.461 2.921 1.00 0.00 H new ATOM 247 N TYR A 15 -7.482 -1.867 4.515 1.00 0.00 N ATOM 248 CA TYR A 15 -7.009 -1.272 5.760 1.00 0.00 C ATOM 249 C TYR A 15 -8.157 -1.120 6.756 1.00 0.00 C ATOM 250 O TYR A 15 -8.075 -0.328 7.696 1.00 0.00 O ATOM 251 CB TYR A 15 -6.368 0.097 5.476 1.00 0.00 C ATOM 252 CG TYR A 15 -4.865 -0.004 5.620 1.00 0.00 C ATOM 253 CD1 TYR A 15 -4.193 0.789 6.560 1.00 0.00 C ATOM 254 CD2 TYR A 15 -4.143 -0.894 4.814 1.00 0.00 C ATOM 255 CE1 TYR A 15 -2.803 0.692 6.693 1.00 0.00 C ATOM 256 CE2 TYR A 15 -2.753 -0.990 4.948 1.00 0.00 C ATOM 257 CZ TYR A 15 -2.083 -0.197 5.887 1.00 0.00 C ATOM 258 OH TYR A 15 -0.713 -0.292 6.018 1.00 0.00 O ATOM 0 H TYR A 15 -7.578 -1.218 3.734 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.261 -1.932 6.198 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.625 0.428 4.470 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.760 0.843 6.167 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -4.748 1.475 7.182 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.659 -1.506 4.089 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.286 1.303 7.418 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -2.197 -1.676 4.327 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.369 -0.956 5.385 1.00 0.00 H new ATOM 268 N GLU A 16 -9.225 -1.888 6.552 1.00 0.00 N ATOM 269 CA GLU A 16 -10.375 -1.830 7.448 1.00 0.00 C ATOM 270 C GLU A 16 -10.109 -2.653 8.703 1.00 0.00 C ATOM 271 O GLU A 16 -10.360 -2.202 9.820 1.00 0.00 O ATOM 272 CB GLU A 16 -11.621 -2.369 6.738 1.00 0.00 C ATOM 273 CG GLU A 16 -12.777 -2.471 7.735 1.00 0.00 C ATOM 274 CD GLU A 16 -14.092 -2.663 6.990 1.00 0.00 C ATOM 275 OE1 GLU A 16 -14.063 -2.668 5.769 1.00 0.00 O ATOM 276 OE2 GLU A 16 -15.110 -2.802 7.648 1.00 0.00 O ATOM 0 H GLU A 16 -9.317 -2.551 5.782 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.542 -0.791 7.732 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.896 -1.711 5.914 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.411 -3.348 6.308 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.609 -3.306 8.415 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.823 -1.569 8.344 1.00 0.00 H new ATOM 283 N LYS A 17 -9.596 -3.864 8.510 1.00 0.00 N ATOM 284 CA LYS A 17 -9.297 -4.744 9.632 1.00 0.00 C ATOM 285 C LYS A 17 -8.009 -4.304 10.320 1.00 0.00 C ATOM 286 O LYS A 17 -7.709 -4.735 11.434 1.00 0.00 O ATOM 287 CB LYS A 17 -9.157 -6.186 9.140 1.00 0.00 C ATOM 288 CG LYS A 17 -10.262 -6.486 8.125 1.00 0.00 C ATOM 289 CD LYS A 17 -10.169 -7.948 7.683 1.00 0.00 C ATOM 290 CE LYS A 17 -11.183 -8.207 6.567 1.00 0.00 C ATOM 291 NZ LYS A 17 -10.985 -7.211 5.476 1.00 0.00 N ATOM 0 H LYS A 17 -9.380 -4.256 7.593 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.116 -4.688 10.350 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.178 -6.333 8.683 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.223 -6.877 9.981 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.239 -6.291 8.567 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.165 -5.828 7.262 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.161 -8.170 7.332 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.365 -8.608 8.528 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.061 -9.218 6.178 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.198 -8.136 6.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.242 -7.640 4.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.587 -6.381 5.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.988 -6.916 5.452 1.00 0.00 H new ATOM 305 N THR A 18 -7.255 -3.439 9.650 1.00 0.00 N ATOM 306 CA THR A 18 -6.002 -2.935 10.202 1.00 0.00 C ATOM 307 C THR A 18 -6.231 -1.578 10.864 1.00 0.00 C ATOM 308 O THR A 18 -5.290 -0.825 11.109 1.00 0.00 O ATOM 309 CB THR A 18 -4.955 -2.802 9.083 1.00 0.00 C ATOM 310 OG1 THR A 18 -5.372 -3.564 7.960 1.00 0.00 O ATOM 311 CG2 THR A 18 -3.596 -3.318 9.569 1.00 0.00 C ATOM 0 H THR A 18 -7.488 -3.073 8.727 1.00 0.00 H new ATOM 0 HA THR A 18 -5.636 -3.637 10.951 1.00 0.00 H new ATOM 0 HB THR A 18 -4.859 -1.752 8.806 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.708 -3.481 7.244 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.862 -3.219 8.769 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.273 -2.735 10.432 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.685 -4.367 9.852 1.00 0.00 H new ATOM 319 N ILE A 19 -7.496 -1.276 11.147 1.00 0.00 N ATOM 320 CA ILE A 19 -7.853 -0.009 11.776 1.00 0.00 C ATOM 321 C ILE A 19 -7.211 0.109 13.157 1.00 0.00 C ATOM 322 O ILE A 19 -7.383 1.114 13.849 1.00 0.00 O ATOM 323 CB ILE A 19 -9.377 0.093 11.900 1.00 0.00 C ATOM 324 CG1 ILE A 19 -9.778 1.543 12.189 1.00 0.00 C ATOM 325 CG2 ILE A 19 -9.865 -0.804 13.042 1.00 0.00 C ATOM 326 CD1 ILE A 19 -11.277 1.718 11.938 1.00 0.00 C ATOM 0 H ILE A 19 -8.287 -1.889 10.951 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.483 0.805 11.153 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.832 -0.230 10.964 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -9.539 1.799 13.221 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -9.210 2.222 11.553 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.949 -0.728 13.126 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.588 -1.838 12.836 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.405 -0.485 13.977 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.562 2.750 12.144 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -11.502 1.480 10.898 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -11.836 1.050 12.593 1.00 0.00 H new ATOM 338 N GLY A 20 -6.442 -0.908 13.537 1.00 0.00 N ATOM 339 CA GLY A 20 -5.757 -0.896 14.825 1.00 0.00 C ATOM 340 C GLY A 20 -4.365 -0.309 14.660 1.00 0.00 C ATOM 341 O GLY A 20 -4.076 0.780 15.153 1.00 0.00 O ATOM 0 H GLY A 20 -6.279 -1.744 12.976 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.327 -0.309 15.545 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.690 -1.909 15.222 1.00 0.00 H new ATOM 345 N PHE A 21 -3.511 -1.026 13.935 1.00 0.00 N ATOM 346 CA PHE A 21 -2.161 -0.545 13.683 1.00 0.00 C ATOM 347 C PHE A 21 -2.245 0.897 13.208 1.00 0.00 C ATOM 348 O PHE A 21 -1.369 1.715 13.487 1.00 0.00 O ATOM 349 CB PHE A 21 -1.495 -1.418 12.615 1.00 0.00 C ATOM 350 CG PHE A 21 -0.226 -0.764 12.118 1.00 0.00 C ATOM 351 CD1 PHE A 21 -0.215 -0.110 10.880 1.00 0.00 C ATOM 352 CD2 PHE A 21 0.939 -0.820 12.890 1.00 0.00 C ATOM 353 CE1 PHE A 21 0.962 0.487 10.414 1.00 0.00 C ATOM 354 CE2 PHE A 21 2.116 -0.221 12.425 1.00 0.00 C ATOM 355 CZ PHE A 21 2.127 0.433 11.187 1.00 0.00 C ATOM 0 H PHE A 21 -3.728 -1.931 13.517 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.564 -0.597 14.594 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.268 -2.400 13.029 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.182 -1.574 11.783 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.115 -0.066 10.285 1.00 0.00 H new ATOM 0 HD2 PHE A 21 0.931 -1.325 13.845 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.971 0.989 9.458 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.015 -0.263 13.021 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.035 0.896 10.829 1.00 0.00 H new ATOM 365 N HIS A 22 -3.331 1.195 12.505 1.00 0.00 N ATOM 366 CA HIS A 22 -3.565 2.539 12.004 1.00 0.00 C ATOM 367 C HIS A 22 -3.783 3.486 13.178 1.00 0.00 C ATOM 368 O HIS A 22 -2.928 4.318 13.480 1.00 0.00 O ATOM 369 CB HIS A 22 -4.791 2.549 11.089 1.00 0.00 C ATOM 370 CG HIS A 22 -5.151 3.966 10.733 1.00 0.00 C ATOM 371 ND1 HIS A 22 -5.747 4.828 11.641 1.00 0.00 N ATOM 372 CD2 HIS A 22 -5.014 4.683 9.571 1.00 0.00 C ATOM 373 CE1 HIS A 22 -5.946 6.002 11.016 1.00 0.00 C ATOM 374 NE2 HIS A 22 -5.517 5.968 9.751 1.00 0.00 N ATOM 0 H HIS A 22 -4.062 0.523 12.270 1.00 0.00 H new ATOM 0 HA HIS A 22 -2.698 2.868 11.432 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -4.585 1.978 10.184 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -5.631 2.065 11.587 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -4.581 4.307 8.656 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.397 6.867 11.480 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -5.551 6.722 9.065 1.00 0.00 H new ATOM 383 N ASP A 23 -4.927 3.351 13.844 1.00 0.00 N ATOM 384 CA ASP A 23 -5.232 4.202 14.988 1.00 0.00 C ATOM 385 C ASP A 23 -3.989 4.404 15.856 1.00 0.00 C ATOM 386 O ASP A 23 -3.841 5.428 16.524 1.00 0.00 O ATOM 387 CB ASP A 23 -6.336 3.550 15.831 1.00 0.00 C ATOM 388 CG ASP A 23 -7.166 4.623 16.532 1.00 0.00 C ATOM 389 OD1 ASP A 23 -6.955 4.828 17.716 1.00 0.00 O ATOM 390 OD2 ASP A 23 -8.000 5.222 15.874 1.00 0.00 O ATOM 0 H ASP A 23 -5.650 2.669 13.614 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.567 5.172 14.620 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.978 2.941 15.195 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.893 2.882 16.570 1.00 0.00 H new ATOM 395 N LYS A 24 -3.117 3.400 15.855 1.00 0.00 N ATOM 396 CA LYS A 24 -1.900 3.437 16.659 1.00 0.00 C ATOM 397 C LYS A 24 -0.754 4.167 15.963 1.00 0.00 C ATOM 398 O LYS A 24 -0.405 5.286 16.342 1.00 0.00 O ATOM 399 CB LYS A 24 -1.453 2.006 16.983 1.00 0.00 C ATOM 400 CG LYS A 24 -0.502 2.018 18.187 1.00 0.00 C ATOM 401 CD LYS A 24 -1.304 2.116 19.497 1.00 0.00 C ATOM 402 CE LYS A 24 -0.624 3.108 20.445 1.00 0.00 C ATOM 403 NZ LYS A 24 -1.278 3.047 21.783 1.00 0.00 N ATOM 0 H LYS A 24 -3.231 2.549 15.305 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.138 3.987 17.570 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.322 1.384 17.200 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.955 1.567 16.119 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.104 1.112 18.190 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.185 2.861 18.109 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.324 2.439 19.287 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.371 1.135 19.968 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.436 2.872 20.536 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.692 4.118 20.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.816 3.721 22.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.284 3.292 21.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.191 2.085 22.168 1.00 0.00 H new ATOM 417 N TYR A 25 -0.133 3.517 14.987 1.00 0.00 N ATOM 418 CA TYR A 25 1.011 4.118 14.308 1.00 0.00 C ATOM 419 C TYR A 25 0.593 5.208 13.327 1.00 0.00 C ATOM 420 O TYR A 25 0.809 6.394 13.574 1.00 0.00 O ATOM 421 CB TYR A 25 1.806 3.033 13.578 1.00 0.00 C ATOM 422 CG TYR A 25 2.653 2.281 14.579 1.00 0.00 C ATOM 423 CD1 TYR A 25 2.164 1.113 15.175 1.00 0.00 C ATOM 424 CD2 TYR A 25 3.927 2.756 14.913 1.00 0.00 C ATOM 425 CE1 TYR A 25 2.947 0.420 16.104 1.00 0.00 C ATOM 426 CE2 TYR A 25 4.712 2.063 15.844 1.00 0.00 C ATOM 427 CZ TYR A 25 4.221 0.894 16.439 1.00 0.00 C ATOM 428 OH TYR A 25 4.994 0.211 17.356 1.00 0.00 O ATOM 0 H TYR A 25 -0.395 2.590 14.651 1.00 0.00 H new ATOM 0 HA TYR A 25 1.635 4.589 15.068 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.128 2.348 13.070 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.439 3.482 12.812 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.181 0.746 14.917 1.00 0.00 H new ATOM 0 HD2 TYR A 25 4.305 3.657 14.453 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.569 -0.481 16.563 1.00 0.00 H new ATOM 0 HE2 TYR A 25 5.694 2.430 16.102 1.00 0.00 H new ATOM 0 HH TYR A 25 4.778 -0.744 17.319 1.00 0.00 H new ATOM 438 N ILE A 26 0.006 4.800 12.209 1.00 0.00 N ATOM 439 CA ILE A 26 -0.421 5.755 11.192 1.00 0.00 C ATOM 440 C ILE A 26 -1.312 6.828 11.804 1.00 0.00 C ATOM 441 O ILE A 26 -1.035 8.022 11.684 1.00 0.00 O ATOM 442 CB ILE A 26 -1.178 5.034 10.074 1.00 0.00 C ATOM 443 CG1 ILE A 26 -0.435 3.746 9.696 1.00 0.00 C ATOM 444 CG2 ILE A 26 -1.268 5.947 8.848 1.00 0.00 C ATOM 445 CD1 ILE A 26 1.040 4.056 9.436 1.00 0.00 C ATOM 0 H ILE A 26 -0.184 3.824 11.984 1.00 0.00 H new ATOM 0 HA ILE A 26 0.467 6.230 10.776 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.182 4.786 10.419 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.526 3.014 10.498 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.885 3.303 8.808 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.807 5.434 8.051 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.797 6.862 9.114 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.264 6.196 8.505 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.563 3.138 9.168 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.123 4.773 8.619 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.487 4.479 10.336 1.00 0.00 H new ATOM 457 N LYS A 27 -2.382 6.397 12.458 1.00 0.00 N ATOM 458 CA LYS A 27 -3.309 7.332 13.083 1.00 0.00 C ATOM 459 C LYS A 27 -3.655 8.462 12.117 1.00 0.00 C ATOM 460 O LYS A 27 -4.599 8.354 11.335 1.00 0.00 O ATOM 461 CB LYS A 27 -2.685 7.909 14.357 1.00 0.00 C ATOM 462 CG LYS A 27 -3.684 8.845 15.041 1.00 0.00 C ATOM 463 CD LYS A 27 -3.084 9.362 16.350 1.00 0.00 C ATOM 464 CE LYS A 27 -4.186 9.992 17.203 1.00 0.00 C ATOM 465 NZ LYS A 27 -4.882 11.047 16.413 1.00 0.00 N ATOM 0 H LYS A 27 -2.629 5.414 12.570 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.224 6.799 13.341 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.405 7.102 15.034 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.772 8.452 14.113 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.925 9.681 14.384 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.617 8.317 15.239 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.611 8.544 16.894 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.307 10.097 16.141 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.898 9.229 17.518 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.759 10.423 18.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.420 11.664 17.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.180 11.614 15.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.533 10.601 15.736 1.00 0.00 H new ATOM 479 N ASP A 28 -2.885 9.547 12.175 1.00 0.00 N ATOM 480 CA ASP A 28 -3.120 10.688 11.300 1.00 0.00 C ATOM 481 C ASP A 28 -2.329 10.525 10.000 1.00 0.00 C ATOM 482 O ASP A 28 -2.818 9.929 9.044 1.00 0.00 O ATOM 483 CB ASP A 28 -2.707 11.979 12.022 1.00 0.00 C ATOM 484 CG ASP A 28 -3.944 12.765 12.452 1.00 0.00 C ATOM 485 OD1 ASP A 28 -4.781 12.189 13.129 1.00 0.00 O ATOM 486 OD2 ASP A 28 -4.034 13.928 12.098 1.00 0.00 O ATOM 0 H ASP A 28 -2.099 9.658 12.815 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.180 10.743 11.052 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -2.100 11.737 12.894 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.090 12.590 11.364 1.00 0.00 H new ATOM 491 N ILE A 29 -1.105 11.051 9.983 1.00 0.00 N ATOM 492 CA ILE A 29 -0.246 10.956 8.805 1.00 0.00 C ATOM 493 C ILE A 29 -1.031 11.247 7.527 1.00 0.00 C ATOM 494 O ILE A 29 -1.950 10.513 7.167 1.00 0.00 O ATOM 495 CB ILE A 29 0.366 9.558 8.726 1.00 0.00 C ATOM 496 CG1 ILE A 29 1.297 9.323 9.924 1.00 0.00 C ATOM 497 CG2 ILE A 29 1.151 9.407 7.421 1.00 0.00 C ATOM 498 CD1 ILE A 29 2.420 10.363 9.943 1.00 0.00 C ATOM 0 H ILE A 29 -0.687 11.546 10.771 1.00 0.00 H new ATOM 0 HA ILE A 29 0.545 11.700 8.897 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.435 8.819 8.749 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.727 9.378 10.851 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.722 8.321 9.870 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.585 8.408 7.371 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.481 9.555 6.574 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.947 10.151 7.387 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.070 10.181 10.799 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.001 10.288 9.024 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.990 11.362 10.020 1.00 0.00 H new ATOM 510 N ASN A 30 -0.659 12.323 6.838 1.00 0.00 N ATOM 511 CA ASN A 30 -1.339 12.696 5.601 1.00 0.00 C ATOM 512 C ASN A 30 -0.347 13.200 4.557 1.00 0.00 C ATOM 513 O ASN A 30 -0.651 14.119 3.797 1.00 0.00 O ATOM 514 CB ASN A 30 -2.376 13.786 5.886 1.00 0.00 C ATOM 515 CG ASN A 30 -3.302 13.947 4.686 1.00 0.00 C ATOM 516 OD1 ASN A 30 -3.015 13.433 3.605 1.00 0.00 O ATOM 517 ND2 ASN A 30 -4.405 14.634 4.812 1.00 0.00 N ATOM 0 H ASN A 30 0.101 12.946 7.111 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.834 11.808 5.207 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.956 13.526 6.772 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.875 14.730 6.099 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.030 14.745 4.014 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.641 15.059 5.708 1.00 0.00 H new ATOM 524 N ARG A 31 0.838 12.592 4.518 1.00 0.00 N ATOM 525 CA ARG A 31 1.861 12.990 3.553 1.00 0.00 C ATOM 526 C ARG A 31 2.248 11.801 2.673 1.00 0.00 C ATOM 527 O ARG A 31 2.810 10.811 3.148 1.00 0.00 O ATOM 528 CB ARG A 31 3.095 13.535 4.288 1.00 0.00 C ATOM 529 CG ARG A 31 3.745 14.661 3.469 1.00 0.00 C ATOM 530 CD ARG A 31 2.795 15.864 3.372 1.00 0.00 C ATOM 531 NE ARG A 31 3.549 17.111 3.449 1.00 0.00 N ATOM 532 CZ ARG A 31 3.828 17.678 4.619 1.00 0.00 C ATOM 533 NH1 ARG A 31 3.444 17.107 5.728 1.00 0.00 N ATOM 534 NH2 ARG A 31 4.487 18.803 4.658 1.00 0.00 N ATOM 0 H ARG A 31 1.112 11.829 5.137 1.00 0.00 H new ATOM 0 HA ARG A 31 1.458 13.777 2.916 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.807 13.909 5.270 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.814 12.732 4.451 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.682 14.965 3.935 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.989 14.300 2.470 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.240 15.824 2.435 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.062 15.824 4.178 1.00 0.00 H new ATOM 0 HE ARG A 31 3.868 17.556 2.589 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.930 16.226 5.697 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.658 17.541 6.626 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.788 19.248 3.791 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.701 19.238 5.556 1.00 0.00 H new ATOM 548 N PHE A 32 1.928 11.913 1.389 1.00 0.00 N ATOM 549 CA PHE A 32 2.217 10.857 0.422 1.00 0.00 C ATOM 550 C PHE A 32 2.174 11.419 -0.993 1.00 0.00 C ATOM 551 O PHE A 32 1.485 12.405 -1.254 1.00 0.00 O ATOM 552 CB PHE A 32 1.181 9.739 0.551 1.00 0.00 C ATOM 553 CG PHE A 32 -0.194 10.287 0.249 1.00 0.00 C ATOM 554 CD1 PHE A 32 -0.834 11.119 1.174 1.00 0.00 C ATOM 555 CD2 PHE A 32 -0.828 9.961 -0.956 1.00 0.00 C ATOM 556 CE1 PHE A 32 -2.109 11.626 0.895 1.00 0.00 C ATOM 557 CE2 PHE A 32 -2.102 10.468 -1.235 1.00 0.00 C ATOM 558 CZ PHE A 32 -2.743 11.300 -0.310 1.00 0.00 C ATOM 0 H PHE A 32 1.465 12.730 0.990 1.00 0.00 H new ATOM 0 HA PHE A 32 3.212 10.459 0.623 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.419 8.927 -0.136 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.204 9.322 1.558 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.345 11.370 2.103 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.334 9.319 -1.670 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.603 12.268 1.609 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.591 10.217 -2.165 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.727 11.691 -0.526 1.00 0.00 H new ATOM 568 N VAL A 33 2.915 10.794 -1.905 1.00 0.00 N ATOM 569 CA VAL A 33 2.943 11.261 -3.288 1.00 0.00 C ATOM 570 C VAL A 33 3.266 10.124 -4.256 1.00 0.00 C ATOM 571 O VAL A 33 3.941 9.153 -3.898 1.00 0.00 O ATOM 572 CB VAL A 33 3.986 12.370 -3.441 1.00 0.00 C ATOM 573 CG1 VAL A 33 3.540 13.610 -2.663 1.00 0.00 C ATOM 574 CG2 VAL A 33 5.329 11.882 -2.893 1.00 0.00 C ATOM 0 H VAL A 33 3.495 9.976 -1.716 1.00 0.00 H new ATOM 0 HA VAL A 33 1.952 11.646 -3.530 1.00 0.00 H new ATOM 0 HB VAL A 33 4.090 12.625 -4.496 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.286 14.397 -2.775 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.583 13.959 -3.052 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.433 13.359 -1.608 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.074 12.670 -3.001 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.221 11.627 -1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.650 11.001 -3.449 1.00 0.00 H new ATOM 584 N PHE A 34 2.783 10.271 -5.492 1.00 0.00 N ATOM 585 CA PHE A 34 3.016 9.280 -6.540 1.00 0.00 C ATOM 586 C PHE A 34 3.502 9.977 -7.811 1.00 0.00 C ATOM 587 O PHE A 34 2.953 9.773 -8.894 1.00 0.00 O ATOM 588 CB PHE A 34 1.720 8.505 -6.833 1.00 0.00 C ATOM 589 CG PHE A 34 1.874 7.679 -8.094 1.00 0.00 C ATOM 590 CD1 PHE A 34 0.878 7.720 -9.077 1.00 0.00 C ATOM 591 CD2 PHE A 34 3.007 6.876 -8.282 1.00 0.00 C ATOM 592 CE1 PHE A 34 1.014 6.962 -10.246 1.00 0.00 C ATOM 593 CE2 PHE A 34 3.142 6.118 -9.451 1.00 0.00 C ATOM 594 CZ PHE A 34 2.145 6.160 -10.433 1.00 0.00 C ATOM 0 H PHE A 34 2.226 11.072 -5.790 1.00 0.00 H new ATOM 0 HA PHE A 34 3.778 8.578 -6.201 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.479 7.855 -5.992 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.889 9.202 -6.946 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.004 8.337 -8.933 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.776 6.842 -7.525 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.245 6.996 -11.004 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.016 5.500 -9.596 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.249 5.574 -11.334 1.00 0.00 H new ATOM 604 N LYS A 35 4.528 10.812 -7.667 1.00 0.00 N ATOM 605 CA LYS A 35 5.076 11.546 -8.806 1.00 0.00 C ATOM 606 C LYS A 35 6.541 11.188 -9.021 1.00 0.00 C ATOM 607 O LYS A 35 7.407 12.064 -9.050 1.00 0.00 O ATOM 608 CB LYS A 35 4.952 13.051 -8.563 1.00 0.00 C ATOM 609 CG LYS A 35 3.554 13.374 -8.033 1.00 0.00 C ATOM 610 CD LYS A 35 3.427 14.884 -7.819 1.00 0.00 C ATOM 611 CE LYS A 35 2.150 15.185 -7.030 1.00 0.00 C ATOM 612 NZ LYS A 35 2.133 16.623 -6.644 1.00 0.00 N ATOM 0 H LYS A 35 4.995 10.997 -6.779 1.00 0.00 H new ATOM 0 HA LYS A 35 4.511 11.270 -9.696 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.707 13.377 -7.848 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.135 13.595 -9.490 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.797 13.031 -8.739 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.378 12.847 -7.095 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.297 15.260 -7.280 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.402 15.397 -8.780 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.273 14.949 -7.633 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.103 14.558 -6.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.266 16.828 -6.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.963 16.834 -6.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.158 17.213 -7.500 1.00 0.00 H new ATOM 626 N ASN A 36 6.814 9.897 -9.171 1.00 0.00 N ATOM 627 CA ASN A 36 8.181 9.436 -9.384 1.00 0.00 C ATOM 628 C ASN A 36 8.198 7.943 -9.695 1.00 0.00 C ATOM 629 O ASN A 36 9.081 7.216 -9.243 1.00 0.00 O ATOM 630 CB ASN A 36 9.025 9.709 -8.137 1.00 0.00 C ATOM 631 CG ASN A 36 10.508 9.654 -8.486 1.00 0.00 C ATOM 632 OD1 ASN A 36 11.301 10.433 -7.957 1.00 0.00 O ATOM 633 ND2 ASN A 36 10.933 8.776 -9.353 1.00 0.00 N ATOM 0 H ASN A 36 6.113 9.156 -9.149 1.00 0.00 H new ATOM 0 HA ASN A 36 8.600 9.978 -10.231 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.776 10.688 -7.727 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.797 8.973 -7.366 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.923 8.735 -9.593 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.275 8.131 -9.790 1.00 0.00 H new ATOM 640 N ASN A 37 7.214 7.492 -10.467 1.00 0.00 N ATOM 641 CA ASN A 37 7.126 6.082 -10.827 1.00 0.00 C ATOM 642 C ASN A 37 7.148 5.212 -9.575 1.00 0.00 C ATOM 643 O ASN A 37 7.295 3.994 -9.657 1.00 0.00 O ATOM 644 CB ASN A 37 8.295 5.700 -11.737 1.00 0.00 C ATOM 645 CG ASN A 37 8.150 6.387 -13.091 1.00 0.00 C ATOM 646 OD1 ASN A 37 7.366 7.325 -13.230 1.00 0.00 O ATOM 647 ND2 ASN A 37 8.864 5.973 -14.103 1.00 0.00 N ATOM 0 H ASN A 37 6.473 8.077 -10.852 1.00 0.00 H new ATOM 0 HA ASN A 37 6.187 5.918 -11.356 1.00 0.00 H new ATOM 0 HB2 ASN A 37 9.238 5.990 -11.272 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.324 4.619 -11.870 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.773 6.427 -15.012 1.00 0.00 H new ATOM 0 HD22 ASN A 37 9.513 5.195 -13.985 1.00 0.00 H new ATOM 654 N VAL A 38 6.995 5.850 -8.418 1.00 0.00 N ATOM 655 CA VAL A 38 6.993 5.136 -7.145 1.00 0.00 C ATOM 656 C VAL A 38 6.113 5.863 -6.134 1.00 0.00 C ATOM 657 O VAL A 38 5.758 7.023 -6.332 1.00 0.00 O ATOM 658 CB VAL A 38 8.419 5.039 -6.599 1.00 0.00 C ATOM 659 CG1 VAL A 38 8.424 4.205 -5.316 1.00 0.00 C ATOM 660 CG2 VAL A 38 9.318 4.373 -7.643 1.00 0.00 C ATOM 0 H VAL A 38 6.871 6.859 -8.336 1.00 0.00 H new ATOM 0 HA VAL A 38 6.597 4.134 -7.309 1.00 0.00 H new ATOM 0 HB VAL A 38 8.791 6.040 -6.380 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.441 4.138 -4.930 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.784 4.678 -4.572 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.051 3.204 -5.531 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.335 4.303 -7.256 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.943 3.373 -7.861 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.318 4.968 -8.556 1.00 0.00 H new ATOM 670 N LEU A 39 5.763 5.173 -5.050 1.00 0.00 N ATOM 671 CA LEU A 39 4.919 5.764 -4.014 1.00 0.00 C ATOM 672 C LEU A 39 5.678 5.831 -2.697 1.00 0.00 C ATOM 673 O LEU A 39 6.099 4.806 -2.159 1.00 0.00 O ATOM 674 CB LEU A 39 3.654 4.914 -3.816 1.00 0.00 C ATOM 675 CG LEU A 39 2.578 5.319 -4.830 1.00 0.00 C ATOM 676 CD1 LEU A 39 2.808 4.581 -6.149 1.00 0.00 C ATOM 677 CD2 LEU A 39 1.196 4.951 -4.282 1.00 0.00 C ATOM 0 H LEU A 39 6.048 4.211 -4.867 1.00 0.00 H new ATOM 0 HA LEU A 39 4.640 6.770 -4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.895 3.858 -3.934 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.275 5.044 -2.802 1.00 0.00 H new ATOM 0 HG LEU A 39 2.632 6.394 -5.000 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.041 4.872 -6.867 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.791 4.839 -6.544 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.756 3.506 -5.978 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.430 5.239 -5.003 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.147 3.876 -4.111 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.026 5.476 -3.342 1.00 0.00 H new ATOM 689 N LEU A 40 5.844 7.046 -2.180 1.00 0.00 N ATOM 690 CA LEU A 40 6.554 7.232 -0.917 1.00 0.00 C ATOM 691 C LEU A 40 5.632 7.882 0.110 1.00 0.00 C ATOM 692 O LEU A 40 4.847 8.774 -0.217 1.00 0.00 O ATOM 693 CB LEU A 40 7.801 8.100 -1.138 1.00 0.00 C ATOM 694 CG LEU A 40 8.989 7.214 -1.568 1.00 0.00 C ATOM 695 CD1 LEU A 40 9.880 7.962 -2.568 1.00 0.00 C ATOM 696 CD2 LEU A 40 9.821 6.851 -0.336 1.00 0.00 C ATOM 0 H LEU A 40 5.502 7.906 -2.609 1.00 0.00 H new ATOM 0 HA LEU A 40 6.867 6.259 -0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.601 8.851 -1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.049 8.636 -0.222 1.00 0.00 H new ATOM 0 HG LEU A 40 8.601 6.312 -2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.713 7.323 -2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.296 8.225 -3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.265 8.870 -2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.661 6.225 -0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.196 7.762 0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.199 6.307 0.376 1.00 0.00 H new ATOM 708 N ILE A 41 5.730 7.415 1.353 1.00 0.00 N ATOM 709 CA ILE A 41 4.896 7.944 2.431 1.00 0.00 C ATOM 710 C ILE A 41 5.730 8.227 3.677 1.00 0.00 C ATOM 711 O ILE A 41 6.522 7.391 4.112 1.00 0.00 O ATOM 712 CB ILE A 41 3.800 6.939 2.779 1.00 0.00 C ATOM 713 CG1 ILE A 41 3.051 6.537 1.505 1.00 0.00 C ATOM 714 CG2 ILE A 41 2.821 7.571 3.770 1.00 0.00 C ATOM 715 CD1 ILE A 41 2.063 5.412 1.824 1.00 0.00 C ATOM 0 H ILE A 41 6.374 6.677 1.638 1.00 0.00 H new ATOM 0 HA ILE A 41 4.449 8.877 2.088 1.00 0.00 H new ATOM 0 HB ILE A 41 4.250 6.054 3.230 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.520 7.397 1.097 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.758 6.209 0.743 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.039 6.853 4.017 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.354 7.854 4.678 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.371 8.457 3.322 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.531 5.127 0.916 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.606 4.550 2.212 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.348 5.757 2.571 1.00 0.00 H new ATOM 727 N LEU A 42 5.544 9.412 4.247 1.00 0.00 N ATOM 728 CA LEU A 42 6.282 9.803 5.444 1.00 0.00 C ATOM 729 C LEU A 42 6.042 8.808 6.576 1.00 0.00 C ATOM 730 O LEU A 42 4.899 8.530 6.939 1.00 0.00 O ATOM 731 CB LEU A 42 5.840 11.200 5.897 1.00 0.00 C ATOM 732 CG LEU A 42 6.517 12.285 5.047 1.00 0.00 C ATOM 733 CD1 LEU A 42 7.980 12.449 5.472 1.00 0.00 C ATOM 734 CD2 LEU A 42 6.458 11.907 3.562 1.00 0.00 C ATOM 0 H LEU A 42 4.892 10.116 3.902 1.00 0.00 H new ATOM 0 HA LEU A 42 7.345 9.813 5.202 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.757 11.289 5.814 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.092 11.344 6.948 1.00 0.00 H new ATOM 0 HG LEU A 42 5.988 13.226 5.200 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.451 13.221 4.863 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.024 12.738 6.522 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.507 11.505 5.333 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.941 12.684 2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.973 10.959 3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.417 11.809 3.253 1.00 0.00 H new ATOM 746 N LEU A 43 7.128 8.285 7.133 1.00 0.00 N ATOM 747 CA LEU A 43 7.028 7.332 8.232 1.00 0.00 C ATOM 748 C LEU A 43 8.359 7.231 8.971 1.00 0.00 C ATOM 749 O LEU A 43 9.194 6.383 8.655 1.00 0.00 O ATOM 750 CB LEU A 43 6.630 5.952 7.699 1.00 0.00 C ATOM 751 CG LEU A 43 6.330 5.008 8.875 1.00 0.00 C ATOM 752 CD1 LEU A 43 4.893 5.216 9.361 1.00 0.00 C ATOM 753 CD2 LEU A 43 6.500 3.554 8.427 1.00 0.00 C ATOM 0 H LEU A 43 8.082 8.503 6.844 1.00 0.00 H new ATOM 0 HA LEU A 43 6.264 7.684 8.925 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.753 6.039 7.057 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.434 5.542 7.087 1.00 0.00 H new ATOM 0 HG LEU A 43 7.024 5.227 9.687 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.690 4.543 10.194 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.765 6.248 9.688 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.199 5.005 8.547 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.287 2.888 9.263 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.811 3.342 7.610 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.524 3.395 8.089 1.00 0.00 H new ATOM 765 N GLU A 44 8.546 8.100 9.958 1.00 0.00 N ATOM 766 CA GLU A 44 9.778 8.100 10.739 1.00 0.00 C ATOM 767 C GLU A 44 9.754 6.977 11.773 1.00 0.00 C ATOM 768 O GLU A 44 10.801 6.487 12.196 1.00 0.00 O ATOM 769 CB GLU A 44 9.948 9.444 11.448 1.00 0.00 C ATOM 770 CG GLU A 44 9.692 10.584 10.459 1.00 0.00 C ATOM 771 CD GLU A 44 8.192 10.783 10.266 1.00 0.00 C ATOM 772 OE1 GLU A 44 7.752 10.760 9.129 1.00 0.00 O ATOM 773 OE2 GLU A 44 7.504 10.954 11.260 1.00 0.00 O ATOM 0 H GLU A 44 7.866 8.808 10.235 1.00 0.00 H new ATOM 0 HA GLU A 44 10.616 7.939 10.061 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.255 9.514 12.286 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.954 9.525 11.859 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.144 11.504 10.828 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.163 10.359 9.502 1.00 0.00 H new ATOM 780 N ASN A 45 8.552 6.576 12.176 1.00 0.00 N ATOM 781 CA ASN A 45 8.399 5.510 13.163 1.00 0.00 C ATOM 782 C ASN A 45 9.270 4.313 12.796 1.00 0.00 C ATOM 783 O ASN A 45 9.148 3.752 11.708 1.00 0.00 O ATOM 784 CB ASN A 45 6.935 5.077 13.240 1.00 0.00 C ATOM 785 CG ASN A 45 6.085 6.210 13.806 1.00 0.00 C ATOM 786 OD1 ASN A 45 5.950 6.337 15.024 1.00 0.00 O ATOM 787 ND2 ASN A 45 5.500 7.044 12.991 1.00 0.00 N ATOM 0 H ASN A 45 7.674 6.970 11.837 1.00 0.00 H new ATOM 0 HA ASN A 45 8.715 5.890 14.135 1.00 0.00 H new ATOM 0 HB2 ASN A 45 6.576 4.802 12.248 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.842 4.192 13.869 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.929 7.804 13.362 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.614 6.936 11.983 1.00 0.00 H new ATOM 794 N GLU A 46 10.153 3.933 13.712 1.00 0.00 N ATOM 795 CA GLU A 46 11.052 2.809 13.478 1.00 0.00 C ATOM 796 C GLU A 46 10.302 1.478 13.500 1.00 0.00 C ATOM 797 O GLU A 46 10.422 0.677 12.573 1.00 0.00 O ATOM 798 CB GLU A 46 12.154 2.797 14.545 1.00 0.00 C ATOM 799 CG GLU A 46 12.898 1.456 14.519 1.00 0.00 C ATOM 800 CD GLU A 46 13.277 1.092 13.087 1.00 0.00 C ATOM 801 OE1 GLU A 46 12.726 0.130 12.578 1.00 0.00 O ATOM 802 OE2 GLU A 46 14.111 1.779 12.523 1.00 0.00 O ATOM 0 H GLU A 46 10.266 4.384 14.620 1.00 0.00 H new ATOM 0 HA GLU A 46 11.494 2.932 12.489 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.854 3.613 14.366 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.718 2.961 15.531 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.795 1.517 15.136 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.270 0.675 14.946 1.00 0.00 H new ATOM 809 N PHE A 47 9.545 1.238 14.566 1.00 0.00 N ATOM 810 CA PHE A 47 8.804 -0.012 14.694 1.00 0.00 C ATOM 811 C PHE A 47 7.875 -0.221 13.502 1.00 0.00 C ATOM 812 O PHE A 47 8.009 -1.195 12.761 1.00 0.00 O ATOM 813 CB PHE A 47 7.992 -0.010 15.998 1.00 0.00 C ATOM 814 CG PHE A 47 8.039 -1.385 16.630 1.00 0.00 C ATOM 815 CD1 PHE A 47 7.654 -2.508 15.889 1.00 0.00 C ATOM 816 CD2 PHE A 47 8.472 -1.535 17.954 1.00 0.00 C ATOM 817 CE1 PHE A 47 7.701 -3.781 16.470 1.00 0.00 C ATOM 818 CE2 PHE A 47 8.518 -2.808 18.535 1.00 0.00 C ATOM 819 CZ PHE A 47 8.133 -3.931 17.793 1.00 0.00 C ATOM 0 H PHE A 47 9.429 1.885 15.346 1.00 0.00 H new ATOM 0 HA PHE A 47 9.521 -0.833 14.717 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.395 0.732 16.688 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.959 0.272 15.794 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.320 -2.393 14.868 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.770 -0.669 18.526 1.00 0.00 H new ATOM 0 HE1 PHE A 47 7.404 -4.647 15.897 1.00 0.00 H new ATOM 0 HE2 PHE A 47 8.851 -2.924 19.556 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.169 -4.913 18.241 1.00 0.00 H new ATOM 829 N ALA A 48 6.935 0.698 13.322 1.00 0.00 N ATOM 830 CA ALA A 48 5.990 0.596 12.213 1.00 0.00 C ATOM 831 C ALA A 48 6.724 0.302 10.910 1.00 0.00 C ATOM 832 O ALA A 48 6.489 -0.724 10.272 1.00 0.00 O ATOM 833 CB ALA A 48 5.194 1.899 12.073 1.00 0.00 C ATOM 0 H ALA A 48 6.805 1.514 13.921 1.00 0.00 H new ATOM 0 HA ALA A 48 5.303 -0.223 12.424 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.493 1.810 11.243 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.643 2.090 12.994 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.879 2.725 11.882 1.00 0.00 H new ATOM 839 N ARG A 49 7.607 1.210 10.515 1.00 0.00 N ATOM 840 CA ARG A 49 8.362 1.036 9.281 1.00 0.00 C ATOM 841 C ARG A 49 9.001 -0.349 9.226 1.00 0.00 C ATOM 842 O ARG A 49 8.987 -1.007 8.187 1.00 0.00 O ATOM 843 CB ARG A 49 9.448 2.112 9.185 1.00 0.00 C ATOM 844 CG ARG A 49 9.930 2.246 7.735 1.00 0.00 C ATOM 845 CD ARG A 49 10.580 3.619 7.530 1.00 0.00 C ATOM 846 NE ARG A 49 11.633 3.533 6.524 1.00 0.00 N ATOM 847 CZ ARG A 49 12.843 3.078 6.834 1.00 0.00 C ATOM 848 NH1 ARG A 49 13.104 2.697 8.055 1.00 0.00 N ATOM 849 NH2 ARG A 49 13.771 3.012 5.918 1.00 0.00 N ATOM 0 H ARG A 49 7.817 2.067 11.026 1.00 0.00 H new ATOM 0 HA ARG A 49 7.676 1.132 8.439 1.00 0.00 H new ATOM 0 HB2 ARG A 49 9.057 3.067 9.536 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.286 1.853 9.833 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.646 1.457 7.505 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.091 2.125 7.050 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.827 4.343 7.218 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.995 3.977 8.472 1.00 0.00 H new ATOM 0 HE ARG A 49 11.438 3.827 5.567 1.00 0.00 H new ATOM 0 HH11 ARG A 49 12.380 2.748 8.771 1.00 0.00 H new ATOM 0 HH12 ARG A 49 14.032 2.348 8.293 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.568 3.310 4.964 1.00 0.00 H new ATOM 0 HH22 ARG A 49 14.699 2.663 6.157 1.00 0.00 H new ATOM 863 N ASN A 50 9.578 -0.774 10.344 1.00 0.00 N ATOM 864 CA ASN A 50 10.241 -2.070 10.404 1.00 0.00 C ATOM 865 C ASN A 50 9.356 -3.159 9.806 1.00 0.00 C ATOM 866 O ASN A 50 9.749 -3.880 8.890 1.00 0.00 O ATOM 867 CB ASN A 50 10.547 -2.426 11.862 1.00 0.00 C ATOM 868 CG ASN A 50 11.615 -3.512 11.921 1.00 0.00 C ATOM 869 OD1 ASN A 50 11.444 -4.586 11.344 1.00 0.00 O ATOM 870 ND2 ASN A 50 12.715 -3.295 12.589 1.00 0.00 N ATOM 0 H ASN A 50 9.600 -0.244 11.215 1.00 0.00 H new ATOM 0 HA ASN A 50 11.166 -2.007 9.830 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.888 -1.540 12.397 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.640 -2.769 12.359 1.00 0.00 H new ATOM 0 HD21 ASN A 50 13.435 -4.016 12.634 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.855 -2.404 13.066 1.00 0.00 H new ATOM 877 N SER A 51 8.159 -3.265 10.378 1.00 0.00 N ATOM 878 CA SER A 51 7.169 -4.263 9.975 1.00 0.00 C ATOM 879 C SER A 51 6.537 -3.952 8.616 1.00 0.00 C ATOM 880 O SER A 51 6.304 -4.859 7.814 1.00 0.00 O ATOM 881 CB SER A 51 6.068 -4.324 11.040 1.00 0.00 C ATOM 882 OG SER A 51 6.195 -5.534 11.775 1.00 0.00 O ATOM 0 H SER A 51 7.846 -2.659 11.137 1.00 0.00 H new ATOM 0 HA SER A 51 7.683 -5.220 9.882 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.146 -3.468 11.710 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.086 -4.272 10.569 1.00 0.00 H new ATOM 0 HG SER A 51 5.494 -5.577 12.458 1.00 0.00 H new ATOM 888 N LEU A 52 6.255 -2.682 8.354 1.00 0.00 N ATOM 889 CA LEU A 52 5.642 -2.313 7.084 1.00 0.00 C ATOM 890 C LEU A 52 6.530 -2.748 5.927 1.00 0.00 C ATOM 891 O LEU A 52 6.059 -3.364 4.971 1.00 0.00 O ATOM 892 CB LEU A 52 5.401 -0.800 7.022 1.00 0.00 C ATOM 893 CG LEU A 52 4.103 -0.445 7.762 1.00 0.00 C ATOM 894 CD1 LEU A 52 4.098 1.048 8.090 1.00 0.00 C ATOM 895 CD2 LEU A 52 2.886 -0.771 6.884 1.00 0.00 C ATOM 0 H LEU A 52 6.436 -1.904 8.989 1.00 0.00 H new ATOM 0 HA LEU A 52 4.681 -2.821 7.004 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.242 -0.271 7.471 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.338 -0.476 5.983 1.00 0.00 H new ATOM 0 HG LEU A 52 4.049 -1.029 8.681 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.177 1.302 8.615 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.954 1.284 8.722 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.159 1.624 7.166 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.972 -0.515 7.420 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.939 -0.195 5.960 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.882 -1.835 6.648 1.00 0.00 H new ATOM 907 N ASN A 53 7.818 -2.437 6.017 1.00 0.00 N ATOM 908 CA ASN A 53 8.747 -2.822 4.963 1.00 0.00 C ATOM 909 C ASN A 53 9.038 -4.317 5.042 1.00 0.00 C ATOM 910 O ASN A 53 9.477 -4.924 4.064 1.00 0.00 O ATOM 911 CB ASN A 53 10.047 -2.022 5.071 1.00 0.00 C ATOM 912 CG ASN A 53 9.821 -0.592 4.594 1.00 0.00 C ATOM 913 OD1 ASN A 53 8.761 -0.277 4.055 1.00 0.00 O ATOM 914 ND2 ASN A 53 10.762 0.298 4.760 1.00 0.00 N ATOM 0 H ASN A 53 8.237 -1.928 6.795 1.00 0.00 H new ATOM 0 HA ASN A 53 8.288 -2.602 3.999 1.00 0.00 H new ATOM 0 HB2 ASN A 53 10.397 -2.019 6.103 1.00 0.00 H new ATOM 0 HB3 ASN A 53 10.825 -2.495 4.472 1.00 0.00 H new ATOM 0 HD21 ASN A 53 10.619 1.257 4.443 1.00 0.00 H new ATOM 0 HD22 ASN A 53 11.640 0.034 5.207 1.00 0.00 H new ATOM 921 N ASP A 54 8.772 -4.915 6.202 1.00 0.00 N ATOM 922 CA ASP A 54 8.993 -6.346 6.373 1.00 0.00 C ATOM 923 C ASP A 54 7.998 -7.111 5.511 1.00 0.00 C ATOM 924 O ASP A 54 8.237 -8.248 5.104 1.00 0.00 O ATOM 925 CB ASP A 54 8.796 -6.742 7.837 1.00 0.00 C ATOM 926 CG ASP A 54 9.241 -8.185 8.049 1.00 0.00 C ATOM 927 OD1 ASP A 54 8.537 -9.073 7.598 1.00 0.00 O ATOM 928 OD2 ASP A 54 10.279 -8.381 8.660 1.00 0.00 O ATOM 0 H ASP A 54 8.408 -4.437 7.026 1.00 0.00 H new ATOM 0 HA ASP A 54 10.013 -6.586 6.074 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.369 -6.077 8.483 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.748 -6.631 8.115 1.00 0.00 H new ATOM 933 N ASN A 55 6.872 -6.451 5.246 1.00 0.00 N ATOM 934 CA ASN A 55 5.806 -7.028 4.436 1.00 0.00 C ATOM 935 C ASN A 55 4.777 -5.951 4.095 1.00 0.00 C ATOM 936 O ASN A 55 4.020 -5.510 4.959 1.00 0.00 O ATOM 937 CB ASN A 55 5.125 -8.168 5.200 1.00 0.00 C ATOM 938 CG ASN A 55 5.921 -9.460 5.039 1.00 0.00 C ATOM 939 OD1 ASN A 55 6.164 -9.903 3.916 1.00 0.00 O ATOM 940 ND2 ASN A 55 6.343 -10.092 6.099 1.00 0.00 N ATOM 0 H ASN A 55 6.676 -5.509 5.584 1.00 0.00 H new ATOM 0 HA ASN A 55 6.235 -7.423 3.515 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.045 -7.911 6.256 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.110 -8.309 4.829 1.00 0.00 H new ATOM 0 HD21 ASN A 55 6.876 -10.956 5.999 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.140 -9.722 7.028 1.00 0.00 H new ATOM 947 N SER A 56 4.760 -5.528 2.835 1.00 0.00 N ATOM 948 CA SER A 56 3.821 -4.496 2.400 1.00 0.00 C ATOM 949 C SER A 56 3.541 -4.619 0.908 1.00 0.00 C ATOM 950 O SER A 56 4.137 -3.915 0.092 1.00 0.00 O ATOM 951 CB SER A 56 4.394 -3.110 2.699 1.00 0.00 C ATOM 952 OG SER A 56 3.830 -2.166 1.798 1.00 0.00 O ATOM 0 H SER A 56 5.378 -5.878 2.103 1.00 0.00 H new ATOM 0 HA SER A 56 2.887 -4.630 2.945 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.172 -2.826 3.728 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.479 -3.123 2.599 1.00 0.00 H new ATOM 0 HG SER A 56 4.185 -2.321 0.898 1.00 0.00 H new ATOM 958 N GLU A 57 2.628 -5.518 0.559 1.00 0.00 N ATOM 959 CA GLU A 57 2.268 -5.732 -0.839 1.00 0.00 C ATOM 960 C GLU A 57 1.099 -4.838 -1.236 1.00 0.00 C ATOM 961 O GLU A 57 0.116 -5.309 -1.800 1.00 0.00 O ATOM 962 CB GLU A 57 1.888 -7.198 -1.057 1.00 0.00 C ATOM 963 CG GLU A 57 3.050 -8.099 -0.629 1.00 0.00 C ATOM 964 CD GLU A 57 4.284 -7.798 -1.473 1.00 0.00 C ATOM 965 OE1 GLU A 57 4.232 -8.033 -2.669 1.00 0.00 O ATOM 966 OE2 GLU A 57 5.263 -7.336 -0.910 1.00 0.00 O ATOM 0 H GLU A 57 2.125 -6.109 1.221 1.00 0.00 H new ATOM 0 HA GLU A 57 3.128 -5.480 -1.460 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.995 -7.442 -0.482 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.649 -7.370 -2.106 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.274 -7.941 0.426 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.769 -9.146 -0.742 1.00 0.00 H new ATOM 973 N ILE A 58 1.214 -3.547 -0.943 1.00 0.00 N ATOM 974 CA ILE A 58 0.153 -2.605 -1.284 1.00 0.00 C ATOM 975 C ILE A 58 -0.045 -2.555 -2.799 1.00 0.00 C ATOM 976 O ILE A 58 -1.061 -2.060 -3.286 1.00 0.00 O ATOM 977 CB ILE A 58 0.493 -1.209 -0.752 1.00 0.00 C ATOM 978 CG1 ILE A 58 0.444 -1.212 0.786 1.00 0.00 C ATOM 979 CG2 ILE A 58 -0.508 -0.188 -1.305 1.00 0.00 C ATOM 980 CD1 ILE A 58 -0.982 -0.936 1.275 1.00 0.00 C ATOM 0 H ILE A 58 2.020 -3.132 -0.476 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.774 -2.942 -0.820 1.00 0.00 H new ATOM 0 HB ILE A 58 1.497 -0.935 -1.075 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.785 -2.175 1.165 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.123 -0.456 1.179 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.264 0.804 -0.925 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.457 -0.182 -2.394 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.516 -0.459 -0.990 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.000 -0.941 2.365 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.309 0.038 0.911 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.652 -1.708 0.897 1.00 0.00 H new ATOM 992 N ILE A 59 0.927 -3.086 -3.535 1.00 0.00 N ATOM 993 CA ILE A 59 0.841 -3.113 -4.993 1.00 0.00 C ATOM 994 C ILE A 59 -0.177 -4.170 -5.421 1.00 0.00 C ATOM 995 O ILE A 59 -0.391 -4.409 -6.607 1.00 0.00 O ATOM 996 CB ILE A 59 2.223 -3.422 -5.578 1.00 0.00 C ATOM 997 CG1 ILE A 59 2.101 -3.791 -7.062 1.00 0.00 C ATOM 998 CG2 ILE A 59 2.841 -4.590 -4.809 1.00 0.00 C ATOM 999 CD1 ILE A 59 3.456 -3.603 -7.751 1.00 0.00 C ATOM 0 H ILE A 59 1.776 -3.500 -3.151 1.00 0.00 H new ATOM 0 HA ILE A 59 0.514 -2.143 -5.366 1.00 0.00 H new ATOM 0 HB ILE A 59 2.857 -2.540 -5.487 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.770 -4.824 -7.164 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.348 -3.166 -7.542 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.825 -4.816 -5.220 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.940 -4.322 -3.757 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.199 -5.466 -4.901 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.368 -3.866 -8.805 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.769 -2.563 -7.661 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.197 -4.247 -7.278 1.00 0.00 H new ATOM 1011 N HIS A 60 -0.801 -4.781 -4.421 1.00 0.00 N ATOM 1012 CA HIS A 60 -1.821 -5.811 -4.626 1.00 0.00 C ATOM 1013 C HIS A 60 -3.176 -5.195 -4.980 1.00 0.00 C ATOM 1014 O HIS A 60 -3.853 -5.664 -5.895 1.00 0.00 O ATOM 1015 CB HIS A 60 -1.969 -6.633 -3.339 1.00 0.00 C ATOM 1016 CG HIS A 60 -0.958 -7.749 -3.331 1.00 0.00 C ATOM 1017 ND1 HIS A 60 0.090 -7.803 -4.238 1.00 0.00 N ATOM 1018 CD2 HIS A 60 -0.828 -8.865 -2.542 1.00 0.00 C ATOM 1019 CE1 HIS A 60 0.796 -8.917 -3.975 1.00 0.00 C ATOM 1020 NE2 HIS A 60 0.280 -9.601 -2.951 1.00 0.00 N ATOM 0 H HIS A 60 -0.615 -4.577 -3.439 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.504 -6.444 -5.455 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.825 -5.993 -2.469 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.977 -7.042 -3.271 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.486 -9.131 -1.728 1.00 0.00 H new ATOM 0 HE1 HIS A 60 1.674 -9.221 -4.525 1.00 0.00 H new ATOM 0 HE2 HIS A 60 0.624 -10.475 -2.554 1.00 0.00 H new ATOM 1029 N LEU A 61 -3.578 -4.158 -4.253 1.00 0.00 N ATOM 1030 CA LEU A 61 -4.868 -3.514 -4.508 1.00 0.00 C ATOM 1031 C LEU A 61 -4.692 -2.279 -5.385 1.00 0.00 C ATOM 1032 O LEU A 61 -5.537 -1.973 -6.226 1.00 0.00 O ATOM 1033 CB LEU A 61 -5.530 -3.110 -3.179 1.00 0.00 C ATOM 1034 CG LEU A 61 -4.851 -3.838 -2.013 1.00 0.00 C ATOM 1035 CD1 LEU A 61 -3.525 -3.143 -1.664 1.00 0.00 C ATOM 1036 CD2 LEU A 61 -5.779 -3.813 -0.794 1.00 0.00 C ATOM 0 H LEU A 61 -3.039 -3.747 -3.491 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.506 -4.227 -5.030 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.455 -2.032 -3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.592 -3.355 -3.203 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.648 -4.870 -2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.048 -3.665 -0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.866 -3.161 -2.532 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.720 -2.110 -1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.301 -4.330 0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.981 -2.780 -0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.716 -4.312 -1.040 1.00 0.00 H new ATOM 1048 N ALA A 62 -3.598 -1.569 -5.167 1.00 0.00 N ATOM 1049 CA ALA A 62 -3.312 -0.356 -5.921 1.00 0.00 C ATOM 1050 C ALA A 62 -3.213 -0.631 -7.422 1.00 0.00 C ATOM 1051 O ALA A 62 -3.592 0.210 -8.238 1.00 0.00 O ATOM 1052 CB ALA A 62 -1.994 0.244 -5.429 1.00 0.00 C ATOM 0 H ALA A 62 -2.891 -1.811 -4.473 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.134 0.342 -5.761 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.776 1.152 -5.991 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.077 0.484 -4.369 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.189 -0.476 -5.576 1.00 0.00 H new ATOM 1058 N GLU A 63 -2.670 -1.789 -7.781 1.00 0.00 N ATOM 1059 CA GLU A 63 -2.488 -2.133 -9.187 1.00 0.00 C ATOM 1060 C GLU A 63 -3.818 -2.316 -9.912 1.00 0.00 C ATOM 1061 O GLU A 63 -3.924 -3.153 -10.809 1.00 0.00 O ATOM 1062 CB GLU A 63 -1.682 -3.424 -9.291 1.00 0.00 C ATOM 1063 CG GLU A 63 -2.394 -4.517 -8.491 1.00 0.00 C ATOM 1064 CD GLU A 63 -1.691 -5.855 -8.690 1.00 0.00 C ATOM 1065 OE1 GLU A 63 -1.742 -6.371 -9.795 1.00 0.00 O ATOM 1066 OE2 GLU A 63 -1.113 -6.347 -7.735 1.00 0.00 O ATOM 0 H GLU A 63 -2.350 -2.501 -7.124 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.959 -1.307 -9.662 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.583 -3.724 -10.334 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.674 -3.271 -8.906 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.403 -4.256 -7.433 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.434 -4.593 -8.810 1.00 0.00 H new ATOM 1073 N SER A 64 -4.832 -1.543 -9.531 1.00 0.00 N ATOM 1074 CA SER A 64 -6.141 -1.657 -10.175 1.00 0.00 C ATOM 1075 C SER A 64 -6.575 -0.323 -10.775 1.00 0.00 C ATOM 1076 O SER A 64 -7.329 -0.290 -11.748 1.00 0.00 O ATOM 1077 CB SER A 64 -7.185 -2.130 -9.164 1.00 0.00 C ATOM 1078 OG SER A 64 -8.412 -2.378 -9.837 1.00 0.00 O ATOM 0 H SER A 64 -4.777 -0.842 -8.792 1.00 0.00 H new ATOM 0 HA SER A 64 -6.058 -2.387 -10.980 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.841 -3.036 -8.665 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.327 -1.375 -8.391 1.00 0.00 H new ATOM 0 HG SER A 64 -9.083 -2.683 -9.191 1.00 0.00 H new ATOM 1084 N LEU A 65 -6.099 0.774 -10.198 1.00 0.00 N ATOM 1085 CA LEU A 65 -6.455 2.096 -10.700 1.00 0.00 C ATOM 1086 C LEU A 65 -5.474 2.542 -11.785 1.00 0.00 C ATOM 1087 O LEU A 65 -5.854 3.232 -12.731 1.00 0.00 O ATOM 1088 CB LEU A 65 -6.468 3.107 -9.551 1.00 0.00 C ATOM 1089 CG LEU A 65 -7.178 4.388 -10.003 1.00 0.00 C ATOM 1090 CD1 LEU A 65 -8.682 4.125 -10.184 1.00 0.00 C ATOM 1091 CD2 LEU A 65 -6.977 5.477 -8.949 1.00 0.00 C ATOM 0 H LEU A 65 -5.473 0.776 -9.392 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.452 2.044 -11.138 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.977 2.683 -8.685 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.448 3.334 -9.241 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.757 4.711 -10.955 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.176 5.042 -10.505 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.828 3.351 -10.938 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.110 3.795 -9.238 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.481 6.389 -9.268 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.395 5.145 -7.999 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.912 5.674 -8.828 1.00 0.00 H new ATOM 1103 N TYR A 66 -4.218 2.121 -11.656 1.00 0.00 N ATOM 1104 CA TYR A 66 -3.200 2.462 -12.648 1.00 0.00 C ATOM 1105 C TYR A 66 -1.951 1.610 -12.449 1.00 0.00 C ATOM 1106 O TYR A 66 -1.195 1.805 -11.499 1.00 0.00 O ATOM 1107 CB TYR A 66 -2.839 3.954 -12.583 1.00 0.00 C ATOM 1108 CG TYR A 66 -2.455 4.357 -11.176 1.00 0.00 C ATOM 1109 CD1 TYR A 66 -1.111 4.326 -10.777 1.00 0.00 C ATOM 1110 CD2 TYR A 66 -3.440 4.780 -10.278 1.00 0.00 C ATOM 1111 CE1 TYR A 66 -0.758 4.717 -9.478 1.00 0.00 C ATOM 1112 CE2 TYR A 66 -3.087 5.167 -8.978 1.00 0.00 C ATOM 1113 CZ TYR A 66 -1.746 5.135 -8.580 1.00 0.00 C ATOM 1114 OH TYR A 66 -1.398 5.521 -7.301 1.00 0.00 O ATOM 0 H TYR A 66 -3.882 1.548 -10.882 1.00 0.00 H new ATOM 0 HA TYR A 66 -3.614 2.254 -13.635 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -2.013 4.162 -13.263 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.686 4.552 -12.918 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.349 4.001 -11.470 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -4.475 4.809 -10.587 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.277 4.696 -9.170 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.849 5.490 -8.284 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.203 5.783 -6.808 1.00 0.00 H new ATOM 1124 N GLU A 67 -1.748 0.658 -13.356 1.00 0.00 N ATOM 1125 CA GLU A 67 -0.596 -0.237 -13.283 1.00 0.00 C ATOM 1126 C GLU A 67 0.688 0.542 -13.020 1.00 0.00 C ATOM 1127 O GLU A 67 1.727 -0.045 -12.714 1.00 0.00 O ATOM 1128 CB GLU A 67 -0.460 -1.015 -14.594 1.00 0.00 C ATOM 1129 CG GLU A 67 -1.730 -1.831 -14.841 1.00 0.00 C ATOM 1130 CD GLU A 67 -1.693 -2.445 -16.236 1.00 0.00 C ATOM 1131 OE1 GLU A 67 -1.088 -1.847 -17.109 1.00 0.00 O ATOM 1132 OE2 GLU A 67 -2.271 -3.506 -16.410 1.00 0.00 O ATOM 0 H GLU A 67 -2.365 0.486 -14.150 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.756 -0.930 -12.457 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.292 -0.326 -15.422 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.406 -1.676 -14.548 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.819 -2.617 -14.091 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.608 -1.193 -14.739 1.00 0.00 H new ATOM 1139 N GLY A 68 0.614 1.862 -13.140 1.00 0.00 N ATOM 1140 CA GLY A 68 1.782 2.705 -12.913 1.00 0.00 C ATOM 1141 C GLY A 68 2.430 2.399 -11.566 1.00 0.00 C ATOM 1142 O GLY A 68 3.473 2.959 -11.228 1.00 0.00 O ATOM 0 H GLY A 68 -0.235 2.369 -13.391 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.507 2.549 -13.712 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.489 3.754 -12.949 1.00 0.00 H new ATOM 1146 N ILE A 69 1.805 1.513 -10.796 1.00 0.00 N ATOM 1147 CA ILE A 69 2.333 1.150 -9.485 1.00 0.00 C ATOM 1148 C ILE A 69 3.527 0.210 -9.614 1.00 0.00 C ATOM 1149 O ILE A 69 3.364 -0.986 -9.858 1.00 0.00 O ATOM 1150 CB ILE A 69 1.251 0.464 -8.650 1.00 0.00 C ATOM 1151 CG1 ILE A 69 0.010 1.369 -8.549 1.00 0.00 C ATOM 1152 CG2 ILE A 69 1.805 0.170 -7.253 1.00 0.00 C ATOM 1153 CD1 ILE A 69 0.168 2.377 -7.405 1.00 0.00 C ATOM 0 H ILE A 69 0.940 1.037 -11.054 1.00 0.00 H new ATOM 0 HA ILE A 69 2.655 2.068 -8.993 1.00 0.00 H new ATOM 0 HB ILE A 69 0.960 -0.471 -9.128 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.138 1.899 -9.490 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.878 0.760 -8.384 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.038 -0.319 -6.653 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.673 -0.484 -7.336 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.099 1.104 -6.774 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.720 3.007 -7.350 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.292 1.842 -6.463 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.044 2.999 -7.587 1.00 0.00 H new ATOM 1165 N LYS A 70 4.724 0.754 -9.432 1.00 0.00 N ATOM 1166 CA LYS A 70 5.939 -0.050 -9.508 1.00 0.00 C ATOM 1167 C LYS A 70 6.188 -0.736 -8.172 1.00 0.00 C ATOM 1168 O LYS A 70 6.719 -1.845 -8.117 1.00 0.00 O ATOM 1169 CB LYS A 70 7.135 0.843 -9.843 1.00 0.00 C ATOM 1170 CG LYS A 70 7.081 1.261 -11.319 1.00 0.00 C ATOM 1171 CD LYS A 70 7.806 0.221 -12.178 1.00 0.00 C ATOM 1172 CE LYS A 70 7.613 0.556 -13.658 1.00 0.00 C ATOM 1173 NZ LYS A 70 8.535 -0.279 -14.479 1.00 0.00 N ATOM 0 H LYS A 70 4.880 1.742 -9.232 1.00 0.00 H new ATOM 0 HA LYS A 70 5.815 -0.801 -10.288 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.129 1.727 -9.206 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.065 0.311 -9.641 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.044 1.355 -11.642 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.545 2.239 -11.447 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.868 0.208 -11.933 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.418 -0.775 -11.966 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.580 0.373 -13.952 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.811 1.614 -13.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.405 -0.052 -15.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.519 -0.083 -14.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.326 -1.285 -14.321 1.00 0.00 H new ATOM 1187 N SER A 71 5.795 -0.058 -7.098 1.00 0.00 N ATOM 1188 CA SER A 71 5.966 -0.586 -5.750 1.00 0.00 C ATOM 1189 C SER A 71 5.484 0.437 -4.726 1.00 0.00 C ATOM 1190 O SER A 71 4.929 1.473 -5.088 1.00 0.00 O ATOM 1191 CB SER A 71 7.438 -0.914 -5.496 1.00 0.00 C ATOM 1192 OG SER A 71 7.639 -1.127 -4.105 1.00 0.00 O ATOM 0 H SER A 71 5.355 0.861 -7.136 1.00 0.00 H new ATOM 0 HA SER A 71 5.376 -1.498 -5.653 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.726 -1.803 -6.057 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.070 -0.098 -5.846 1.00 0.00 H new ATOM 0 HG SER A 71 8.581 -1.339 -3.939 1.00 0.00 H new ATOM 1198 N VAL A 72 5.710 0.147 -3.450 1.00 0.00 N ATOM 1199 CA VAL A 72 5.302 1.055 -2.381 1.00 0.00 C ATOM 1200 C VAL A 72 6.281 0.975 -1.214 1.00 0.00 C ATOM 1201 O VAL A 72 6.848 -0.082 -0.942 1.00 0.00 O ATOM 1202 CB VAL A 72 3.894 0.702 -1.903 1.00 0.00 C ATOM 1203 CG1 VAL A 72 3.377 1.804 -0.976 1.00 0.00 C ATOM 1204 CG2 VAL A 72 2.964 0.577 -3.112 1.00 0.00 C ATOM 0 H VAL A 72 6.171 -0.705 -3.130 1.00 0.00 H new ATOM 0 HA VAL A 72 5.302 2.073 -2.770 1.00 0.00 H new ATOM 0 HB VAL A 72 3.920 -0.244 -1.362 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.373 1.552 -0.635 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.040 1.896 -0.115 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.350 2.751 -1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.959 0.325 -2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.939 1.524 -3.651 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.331 -0.207 -3.774 1.00 0.00 H new ATOM 1214 N ASN A 73 6.486 2.102 -0.534 1.00 0.00 N ATOM 1215 CA ASN A 73 7.414 2.137 0.591 1.00 0.00 C ATOM 1216 C ASN A 73 7.255 3.411 1.418 1.00 0.00 C ATOM 1217 O ASN A 73 6.777 4.440 0.934 1.00 0.00 O ATOM 1218 CB ASN A 73 8.851 2.042 0.076 1.00 0.00 C ATOM 1219 CG ASN A 73 9.791 1.657 1.214 1.00 0.00 C ATOM 1220 OD1 ASN A 73 10.018 2.451 2.128 1.00 0.00 O ATOM 1221 ND2 ASN A 73 10.354 0.481 1.212 1.00 0.00 N ATOM 0 H ASN A 73 6.029 2.990 -0.739 1.00 0.00 H new ATOM 0 HA ASN A 73 7.188 1.287 1.235 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.911 1.302 -0.722 1.00 0.00 H new ATOM 0 HB3 ASN A 73 9.156 2.997 -0.351 1.00 0.00 H new ATOM 0 HD21 ASN A 73 10.985 0.216 1.969 1.00 0.00 H new ATOM 0 HD22 ASN A 73 10.164 -0.174 0.454 1.00 0.00 H new ATOM 1228 N PHE A 74 7.672 3.316 2.678 1.00 0.00 N ATOM 1229 CA PHE A 74 7.597 4.435 3.610 1.00 0.00 C ATOM 1230 C PHE A 74 8.990 4.726 4.166 1.00 0.00 C ATOM 1231 O PHE A 74 9.762 3.804 4.429 1.00 0.00 O ATOM 1232 CB PHE A 74 6.638 4.100 4.767 1.00 0.00 C ATOM 1233 CG PHE A 74 5.686 2.997 4.355 1.00 0.00 C ATOM 1234 CD1 PHE A 74 6.175 1.713 4.078 1.00 0.00 C ATOM 1235 CD2 PHE A 74 4.313 3.257 4.248 1.00 0.00 C ATOM 1236 CE1 PHE A 74 5.295 0.694 3.696 1.00 0.00 C ATOM 1237 CE2 PHE A 74 3.434 2.237 3.866 1.00 0.00 C ATOM 1238 CZ PHE A 74 3.924 0.956 3.589 1.00 0.00 C ATOM 0 H PHE A 74 8.069 2.466 3.079 1.00 0.00 H new ATOM 0 HA PHE A 74 7.221 5.313 3.084 1.00 0.00 H new ATOM 0 HB2 PHE A 74 7.208 3.790 5.643 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.075 4.989 5.051 1.00 0.00 H new ATOM 0 HD1 PHE A 74 7.233 1.510 4.159 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.933 4.245 4.460 1.00 0.00 H new ATOM 0 HE1 PHE A 74 5.674 -0.295 3.484 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.376 2.439 3.785 1.00 0.00 H new ATOM 0 HZ PHE A 74 3.245 0.170 3.293 1.00 0.00 H new ATOM 1248 N VAL A 75 9.313 6.005 4.342 1.00 0.00 N ATOM 1249 CA VAL A 75 10.625 6.379 4.865 1.00 0.00 C ATOM 1250 C VAL A 75 10.564 7.737 5.559 1.00 0.00 C ATOM 1251 O VAL A 75 9.493 8.323 5.712 1.00 0.00 O ATOM 1252 CB VAL A 75 11.657 6.430 3.726 1.00 0.00 C ATOM 1253 CG1 VAL A 75 12.528 5.172 3.751 1.00 0.00 C ATOM 1254 CG2 VAL A 75 10.937 6.517 2.379 1.00 0.00 C ATOM 0 H VAL A 75 8.695 6.789 4.134 1.00 0.00 H new ATOM 0 HA VAL A 75 10.927 5.625 5.593 1.00 0.00 H new ATOM 0 HB VAL A 75 12.287 7.309 3.862 1.00 0.00 H new ATOM 0 HG11 VAL A 75 13.256 5.217 2.941 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.051 5.110 4.705 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.899 4.291 3.625 1.00 0.00 H new ATOM 0 HG21 VAL A 75 11.672 6.553 1.575 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.300 5.642 2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.325 7.418 2.351 1.00 0.00 H new ATOM 1264 N ASN A 76 11.729 8.226 5.978 1.00 0.00 N ATOM 1265 CA ASN A 76 11.809 9.515 6.657 1.00 0.00 C ATOM 1266 C ASN A 76 11.766 10.655 5.642 1.00 0.00 C ATOM 1267 O ASN A 76 12.078 10.466 4.466 1.00 0.00 O ATOM 1268 CB ASN A 76 13.102 9.597 7.481 1.00 0.00 C ATOM 1269 CG ASN A 76 13.610 8.196 7.801 1.00 0.00 C ATOM 1270 OD1 ASN A 76 13.034 7.501 8.638 1.00 0.00 O ATOM 1271 ND2 ASN A 76 14.662 7.736 7.179 1.00 0.00 N ATOM 0 H ASN A 76 12.624 7.752 5.860 1.00 0.00 H new ATOM 0 HA ASN A 76 10.953 9.609 7.326 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.861 10.149 6.927 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.919 10.146 8.405 1.00 0.00 H new ATOM 0 HD21 ASN A 76 15.008 6.799 7.386 1.00 0.00 H new ATOM 0 HD22 ASN A 76 15.138 8.314 6.486 1.00 0.00 H new ATOM 1278 N GLU A 77 11.364 11.831 6.105 1.00 0.00 N ATOM 1279 CA GLU A 77 11.266 12.998 5.235 1.00 0.00 C ATOM 1280 C GLU A 77 12.577 13.265 4.501 1.00 0.00 C ATOM 1281 O GLU A 77 12.571 13.779 3.384 1.00 0.00 O ATOM 1282 CB GLU A 77 10.890 14.229 6.062 1.00 0.00 C ATOM 1283 CG GLU A 77 12.060 14.611 6.972 1.00 0.00 C ATOM 1284 CD GLU A 77 11.596 15.607 8.030 1.00 0.00 C ATOM 1285 OE1 GLU A 77 10.790 15.225 8.861 1.00 0.00 O ATOM 1286 OE2 GLU A 77 12.053 16.737 7.992 1.00 0.00 O ATOM 0 H GLU A 77 11.101 12.003 7.075 1.00 0.00 H new ATOM 0 HA GLU A 77 10.495 12.794 4.492 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.642 15.061 5.403 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.003 14.021 6.660 1.00 0.00 H new ATOM 0 HG2 GLU A 77 12.464 13.720 7.452 1.00 0.00 H new ATOM 0 HG3 GLU A 77 12.865 15.046 6.380 1.00 0.00 H new ATOM 1293 N GLN A 78 13.698 12.928 5.129 1.00 0.00 N ATOM 1294 CA GLN A 78 14.997 13.161 4.505 1.00 0.00 C ATOM 1295 C GLN A 78 15.226 12.201 3.339 1.00 0.00 C ATOM 1296 O GLN A 78 15.541 12.630 2.230 1.00 0.00 O ATOM 1297 CB GLN A 78 16.117 13.004 5.535 1.00 0.00 C ATOM 1298 CG GLN A 78 17.444 13.447 4.918 1.00 0.00 C ATOM 1299 CD GLN A 78 18.547 13.410 5.970 1.00 0.00 C ATOM 1300 OE1 GLN A 78 18.763 12.379 6.608 1.00 0.00 O ATOM 1301 NE2 GLN A 78 19.262 14.479 6.191 1.00 0.00 N ATOM 0 H GLN A 78 13.736 12.500 6.054 1.00 0.00 H new ATOM 0 HA GLN A 78 15.006 14.180 4.119 1.00 0.00 H new ATOM 0 HB2 GLN A 78 15.898 13.602 6.420 1.00 0.00 H new ATOM 0 HB3 GLN A 78 16.184 11.966 5.860 1.00 0.00 H new ATOM 0 HG2 GLN A 78 17.703 12.794 4.085 1.00 0.00 H new ATOM 0 HG3 GLN A 78 17.348 14.455 4.515 1.00 0.00 H new ATOM 0 HE21 GLN A 78 19.081 15.332 5.661 1.00 0.00 H new ATOM 0 HE22 GLN A 78 20.002 14.462 6.893 1.00 0.00 H new ATOM 1310 N ASP A 79 15.070 10.908 3.592 1.00 0.00 N ATOM 1311 CA ASP A 79 15.270 9.915 2.541 1.00 0.00 C ATOM 1312 C ASP A 79 14.258 10.115 1.415 1.00 0.00 C ATOM 1313 O ASP A 79 14.628 10.174 0.241 1.00 0.00 O ATOM 1314 CB ASP A 79 15.139 8.506 3.115 1.00 0.00 C ATOM 1315 CG ASP A 79 15.305 7.474 2.005 1.00 0.00 C ATOM 1316 OD1 ASP A 79 15.217 6.293 2.301 1.00 0.00 O ATOM 1317 OD2 ASP A 79 15.520 7.879 0.874 1.00 0.00 O ATOM 0 H ASP A 79 14.810 10.525 4.501 1.00 0.00 H new ATOM 0 HA ASP A 79 16.274 10.041 2.135 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.892 8.347 3.886 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.166 8.387 3.591 1.00 0.00 H new ATOM 1322 N PHE A 80 12.980 10.236 1.772 1.00 0.00 N ATOM 1323 CA PHE A 80 11.937 10.445 0.772 1.00 0.00 C ATOM 1324 C PHE A 80 12.307 11.629 -0.118 1.00 0.00 C ATOM 1325 O PHE A 80 12.053 11.619 -1.322 1.00 0.00 O ATOM 1326 CB PHE A 80 10.594 10.708 1.475 1.00 0.00 C ATOM 1327 CG PHE A 80 9.771 11.724 0.704 1.00 0.00 C ATOM 1328 CD1 PHE A 80 9.364 12.912 1.328 1.00 0.00 C ATOM 1329 CD2 PHE A 80 9.403 11.476 -0.625 1.00 0.00 C ATOM 1330 CE1 PHE A 80 8.595 13.846 0.626 1.00 0.00 C ATOM 1331 CE2 PHE A 80 8.635 12.413 -1.328 1.00 0.00 C ATOM 1332 CZ PHE A 80 8.230 13.597 -0.701 1.00 0.00 C ATOM 0 H PHE A 80 12.646 10.193 2.735 1.00 0.00 H new ATOM 0 HA PHE A 80 11.844 9.554 0.152 1.00 0.00 H new ATOM 0 HB2 PHE A 80 10.037 9.775 1.565 1.00 0.00 H new ATOM 0 HB3 PHE A 80 10.773 11.071 2.487 1.00 0.00 H new ATOM 0 HD1 PHE A 80 9.645 13.106 2.353 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.712 10.561 -1.108 1.00 0.00 H new ATOM 0 HE1 PHE A 80 8.283 14.760 1.109 1.00 0.00 H new ATOM 0 HE2 PHE A 80 8.355 12.222 -2.354 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.636 14.318 -1.242 1.00 0.00 H new ATOM 1342 N PHE A 81 12.915 12.647 0.488 1.00 0.00 N ATOM 1343 CA PHE A 81 13.318 13.833 -0.258 1.00 0.00 C ATOM 1344 C PHE A 81 14.355 13.481 -1.317 1.00 0.00 C ATOM 1345 O PHE A 81 14.224 13.866 -2.477 1.00 0.00 O ATOM 1346 CB PHE A 81 13.909 14.882 0.687 1.00 0.00 C ATOM 1347 CG PHE A 81 13.907 16.222 -0.010 1.00 0.00 C ATOM 1348 CD1 PHE A 81 15.088 16.727 -0.565 1.00 0.00 C ATOM 1349 CD2 PHE A 81 12.717 16.952 -0.115 1.00 0.00 C ATOM 1350 CE1 PHE A 81 15.080 17.963 -1.223 1.00 0.00 C ATOM 1351 CE2 PHE A 81 12.708 18.188 -0.770 1.00 0.00 C ATOM 1352 CZ PHE A 81 13.890 18.694 -1.326 1.00 0.00 C ATOM 0 H PHE A 81 13.137 12.673 1.483 1.00 0.00 H new ATOM 0 HA PHE A 81 12.430 14.236 -0.745 1.00 0.00 H new ATOM 0 HB2 PHE A 81 13.325 14.934 1.606 1.00 0.00 H new ATOM 0 HB3 PHE A 81 14.925 14.605 0.970 1.00 0.00 H new ATOM 0 HD1 PHE A 81 16.006 16.163 -0.486 1.00 0.00 H new ATOM 0 HD2 PHE A 81 11.805 16.560 0.310 1.00 0.00 H new ATOM 0 HE1 PHE A 81 15.992 18.353 -1.651 1.00 0.00 H new ATOM 0 HE2 PHE A 81 11.790 18.752 -0.847 1.00 0.00 H new ATOM 0 HZ PHE A 81 13.884 19.647 -1.834 1.00 0.00 H new ATOM 1362 N PHE A 82 15.388 12.747 -0.910 1.00 0.00 N ATOM 1363 CA PHE A 82 16.443 12.352 -1.834 1.00 0.00 C ATOM 1364 C PHE A 82 15.855 11.621 -3.032 1.00 0.00 C ATOM 1365 O PHE A 82 16.408 11.661 -4.130 1.00 0.00 O ATOM 1366 CB PHE A 82 17.451 11.446 -1.124 1.00 0.00 C ATOM 1367 CG PHE A 82 18.692 11.309 -1.975 1.00 0.00 C ATOM 1368 CD1 PHE A 82 18.853 10.191 -2.802 1.00 0.00 C ATOM 1369 CD2 PHE A 82 19.681 12.299 -1.935 1.00 0.00 C ATOM 1370 CE1 PHE A 82 20.004 10.065 -3.590 1.00 0.00 C ATOM 1371 CE2 PHE A 82 20.831 12.171 -2.721 1.00 0.00 C ATOM 1372 CZ PHE A 82 20.993 11.055 -3.550 1.00 0.00 C ATOM 0 H PHE A 82 15.515 12.417 0.047 1.00 0.00 H new ATOM 0 HA PHE A 82 16.950 13.252 -2.183 1.00 0.00 H new ATOM 0 HB2 PHE A 82 17.709 11.864 -0.151 1.00 0.00 H new ATOM 0 HB3 PHE A 82 17.011 10.465 -0.944 1.00 0.00 H new ATOM 0 HD1 PHE A 82 18.091 9.427 -2.832 1.00 0.00 H new ATOM 0 HD2 PHE A 82 19.556 13.162 -1.297 1.00 0.00 H new ATOM 0 HE1 PHE A 82 20.129 9.203 -4.229 1.00 0.00 H new ATOM 0 HE2 PHE A 82 21.595 12.934 -2.688 1.00 0.00 H new ATOM 0 HZ PHE A 82 21.880 10.958 -4.158 1.00 0.00 H new ATOM 1382 N ASN A 83 14.722 10.961 -2.817 1.00 0.00 N ATOM 1383 CA ASN A 83 14.064 10.234 -3.893 1.00 0.00 C ATOM 1384 C ASN A 83 13.310 11.211 -4.789 1.00 0.00 C ATOM 1385 O ASN A 83 13.410 11.152 -6.013 1.00 0.00 O ATOM 1386 CB ASN A 83 13.093 9.195 -3.307 1.00 0.00 C ATOM 1387 CG ASN A 83 13.576 7.781 -3.622 1.00 0.00 C ATOM 1388 OD1 ASN A 83 13.740 7.425 -4.788 1.00 0.00 O ATOM 1389 ND2 ASN A 83 13.815 6.950 -2.643 1.00 0.00 N ATOM 0 H ASN A 83 14.245 10.915 -1.916 1.00 0.00 H new ATOM 0 HA ASN A 83 14.816 9.715 -4.488 1.00 0.00 H new ATOM 0 HB2 ASN A 83 13.015 9.328 -2.228 1.00 0.00 H new ATOM 0 HB3 ASN A 83 12.095 9.346 -3.720 1.00 0.00 H new ATOM 0 HD21 ASN A 83 14.138 6.004 -2.845 1.00 0.00 H new ATOM 0 HD22 ASN A 83 13.678 7.247 -1.677 1.00 0.00 H new ATOM 1396 N LEU A 84 12.546 12.104 -4.168 1.00 0.00 N ATOM 1397 CA LEU A 84 11.769 13.086 -4.911 1.00 0.00 C ATOM 1398 C LEU A 84 12.641 14.291 -5.272 1.00 0.00 C ATOM 1399 O LEU A 84 12.205 15.189 -5.991 1.00 0.00 O ATOM 1400 CB LEU A 84 10.553 13.508 -4.058 1.00 0.00 C ATOM 1401 CG LEU A 84 10.151 14.970 -4.315 1.00 0.00 C ATOM 1402 CD1 LEU A 84 9.619 15.122 -5.744 1.00 0.00 C ATOM 1403 CD2 LEU A 84 9.052 15.365 -3.327 1.00 0.00 C ATOM 0 H LEU A 84 12.449 12.167 -3.155 1.00 0.00 H new ATOM 0 HA LEU A 84 11.412 12.650 -5.844 1.00 0.00 H new ATOM 0 HB2 LEU A 84 9.709 12.855 -4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 84 10.787 13.376 -3.002 1.00 0.00 H new ATOM 0 HG LEU A 84 11.022 15.612 -4.186 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.336 16.160 -5.918 1.00 0.00 H new ATOM 0 HD12 LEU A 84 10.394 14.833 -6.454 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.747 14.481 -5.878 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.761 16.401 -3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.187 14.716 -3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.424 15.260 -2.308 1.00 0.00 H new ATOM 1415 N ALA A 85 13.877 14.302 -4.782 1.00 0.00 N ATOM 1416 CA ALA A 85 14.792 15.402 -5.070 1.00 0.00 C ATOM 1417 C ALA A 85 15.861 14.974 -6.072 1.00 0.00 C ATOM 1418 O ALA A 85 16.862 15.667 -6.255 1.00 0.00 O ATOM 1419 CB ALA A 85 15.464 15.868 -3.777 1.00 0.00 C ATOM 0 H ALA A 85 14.266 13.569 -4.189 1.00 0.00 H new ATOM 0 HA ALA A 85 14.217 16.220 -5.503 1.00 0.00 H new ATOM 0 HB1 ALA A 85 16.146 16.689 -3.997 1.00 0.00 H new ATOM 0 HB2 ALA A 85 14.704 16.207 -3.073 1.00 0.00 H new ATOM 0 HB3 ALA A 85 16.022 15.041 -3.338 1.00 0.00 H new ATOM 1425 N LYS A 86 15.642 13.832 -6.722 1.00 0.00 N ATOM 1426 CA LYS A 86 16.593 13.323 -7.707 1.00 0.00 C ATOM 1427 C LYS A 86 15.940 13.234 -9.085 1.00 0.00 C ATOM 1428 O LYS A 86 16.608 12.971 -10.083 1.00 0.00 O ATOM 1429 CB LYS A 86 17.096 11.938 -7.279 1.00 0.00 C ATOM 1430 CG LYS A 86 15.979 10.894 -7.453 1.00 0.00 C ATOM 1431 CD LYS A 86 16.232 10.058 -8.715 1.00 0.00 C ATOM 1432 CE LYS A 86 17.299 8.995 -8.434 1.00 0.00 C ATOM 1433 NZ LYS A 86 17.212 7.922 -9.464 1.00 0.00 N ATOM 0 H LYS A 86 14.819 13.245 -6.585 1.00 0.00 H new ATOM 0 HA LYS A 86 17.436 14.011 -7.764 1.00 0.00 H new ATOM 0 HB2 LYS A 86 17.964 11.657 -7.876 1.00 0.00 H new ATOM 0 HB3 LYS A 86 17.420 11.966 -6.239 1.00 0.00 H new ATOM 0 HG2 LYS A 86 15.938 10.244 -6.579 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.012 11.392 -7.525 1.00 0.00 H new ATOM 0 HD2 LYS A 86 15.307 9.580 -9.036 1.00 0.00 H new ATOM 0 HD3 LYS A 86 16.557 10.704 -9.530 1.00 0.00 H new ATOM 0 HE2 LYS A 86 18.291 9.447 -8.447 1.00 0.00 H new ATOM 0 HE3 LYS A 86 17.154 8.572 -7.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 17.936 7.200 -9.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 16.269 7.485 -9.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 17.370 8.332 -10.407 1.00 0.00 H new ATOM 1447 N LEU A 87 14.628 13.450 -9.125 1.00 0.00 N ATOM 1448 CA LEU A 87 13.885 13.389 -10.382 1.00 0.00 C ATOM 1449 C LEU A 87 14.693 14.005 -11.525 1.00 0.00 C ATOM 1450 O LEU A 87 14.613 15.207 -11.780 1.00 0.00 O ATOM 1451 CB LEU A 87 12.535 14.116 -10.247 1.00 0.00 C ATOM 1452 CG LEU A 87 12.602 15.171 -9.135 1.00 0.00 C ATOM 1453 CD1 LEU A 87 13.638 16.238 -9.491 1.00 0.00 C ATOM 1454 CD2 LEU A 87 11.229 15.831 -8.986 1.00 0.00 C ATOM 0 H LEU A 87 14.059 13.668 -8.307 1.00 0.00 H new ATOM 0 HA LEU A 87 13.702 12.339 -10.611 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.275 14.592 -11.193 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.748 13.395 -10.026 1.00 0.00 H new ATOM 0 HG LEU A 87 12.888 14.691 -8.199 1.00 0.00 H new ATOM 0 HD11 LEU A 87 13.680 16.984 -8.697 1.00 0.00 H new ATOM 0 HD12 LEU A 87 14.617 15.772 -9.603 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.357 16.720 -10.427 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.270 16.582 -8.197 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.950 16.307 -9.926 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.488 15.075 -8.729 1.00 0.00 H new ATOM 1466 N GLU A 88 15.464 13.170 -12.213 1.00 0.00 N ATOM 1467 CA GLU A 88 16.278 13.636 -13.331 1.00 0.00 C ATOM 1468 C GLU A 88 16.949 14.966 -12.996 1.00 0.00 C ATOM 1469 O GLU A 88 17.260 15.241 -11.838 1.00 0.00 O ATOM 1470 CB GLU A 88 15.406 13.804 -14.577 1.00 0.00 C ATOM 1471 CG GLU A 88 14.545 12.554 -14.771 1.00 0.00 C ATOM 1472 CD GLU A 88 13.705 12.691 -16.037 1.00 0.00 C ATOM 1473 OE1 GLU A 88 12.545 13.050 -15.918 1.00 0.00 O ATOM 1474 OE2 GLU A 88 14.233 12.434 -17.105 1.00 0.00 O ATOM 0 H GLU A 88 15.543 12.172 -12.018 1.00 0.00 H new ATOM 0 HA GLU A 88 17.052 12.893 -13.523 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.771 14.683 -14.473 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.033 13.966 -15.454 1.00 0.00 H new ATOM 0 HG2 GLU A 88 15.181 11.671 -14.840 1.00 0.00 H new ATOM 0 HG3 GLU A 88 13.896 12.412 -13.907 1.00 0.00 H new ATOM 1481 N GLU A 89 17.172 15.783 -14.023 1.00 0.00 N ATOM 1482 CA GLU A 89 17.810 17.083 -13.830 1.00 0.00 C ATOM 1483 C GLU A 89 17.157 18.140 -14.716 1.00 0.00 C ATOM 1484 O GLU A 89 17.615 19.280 -14.777 1.00 0.00 O ATOM 1485 CB GLU A 89 19.301 16.983 -14.166 1.00 0.00 C ATOM 1486 CG GLU A 89 19.470 16.381 -15.563 1.00 0.00 C ATOM 1487 CD GLU A 89 20.945 16.372 -15.952 1.00 0.00 C ATOM 1488 OE1 GLU A 89 21.647 15.475 -15.515 1.00 0.00 O ATOM 1489 OE2 GLU A 89 21.351 17.263 -16.680 1.00 0.00 O ATOM 0 H GLU A 89 16.923 15.571 -14.989 1.00 0.00 H new ATOM 0 HA GLU A 89 17.688 17.377 -12.787 1.00 0.00 H new ATOM 0 HB2 GLU A 89 19.761 17.970 -14.126 1.00 0.00 H new ATOM 0 HB3 GLU A 89 19.810 16.364 -13.428 1.00 0.00 H new ATOM 0 HG2 GLU A 89 19.075 15.365 -15.581 1.00 0.00 H new ATOM 0 HG3 GLU A 89 18.897 16.959 -16.289 1.00 0.00 H new ATOM 1496 N ASN A 90 16.083 17.755 -15.399 1.00 0.00 N ATOM 1497 CA ASN A 90 15.376 18.682 -16.276 1.00 0.00 C ATOM 1498 C ASN A 90 14.573 19.686 -15.455 1.00 0.00 C ATOM 1499 O ASN A 90 13.850 19.310 -14.533 1.00 0.00 O ATOM 1500 CB ASN A 90 14.435 17.908 -17.203 1.00 0.00 C ATOM 1501 CG ASN A 90 13.934 18.820 -18.318 1.00 0.00 C ATOM 1502 OD1 ASN A 90 14.011 20.043 -18.202 1.00 0.00 O ATOM 1503 ND2 ASN A 90 13.424 18.295 -19.398 1.00 0.00 N ATOM 0 H ASN A 90 15.686 16.816 -15.363 1.00 0.00 H new ATOM 0 HA ASN A 90 16.110 19.222 -16.873 1.00 0.00 H new ATOM 0 HB2 ASN A 90 14.956 17.051 -17.630 1.00 0.00 H new ATOM 0 HB3 ASN A 90 13.591 17.518 -16.634 1.00 0.00 H new ATOM 0 HD21 ASN A 90 13.088 18.898 -20.149 1.00 0.00 H new ATOM 0 HD22 ASN A 90 13.361 17.281 -19.492 1.00 0.00 H new ATOM 1510 N SER A 91 14.705 20.965 -15.795 1.00 0.00 N ATOM 1511 CA SER A 91 13.987 22.013 -15.078 1.00 0.00 C ATOM 1512 C SER A 91 13.925 23.291 -15.909 1.00 0.00 C ATOM 1513 O SER A 91 14.090 24.393 -15.384 1.00 0.00 O ATOM 1514 CB SER A 91 14.677 22.300 -13.745 1.00 0.00 C ATOM 1515 OG SER A 91 13.999 23.360 -13.085 1.00 0.00 O ATOM 0 H SER A 91 15.297 21.298 -16.556 1.00 0.00 H new ATOM 0 HA SER A 91 12.970 21.667 -14.893 1.00 0.00 H new ATOM 0 HB2 SER A 91 14.674 21.406 -13.121 1.00 0.00 H new ATOM 0 HB3 SER A 91 15.720 22.568 -13.912 1.00 0.00 H new ATOM 0 HG SER A 91 14.056 24.173 -13.629 1.00 0.00 H new ATOM 1521 N ARG A 92 13.684 23.137 -17.207 1.00 0.00 N ATOM 1522 CA ARG A 92 13.601 24.288 -18.100 1.00 0.00 C ATOM 1523 C ARG A 92 12.261 24.998 -17.923 1.00 0.00 C ATOM 1524 O ARG A 92 11.253 24.369 -17.599 1.00 0.00 O ATOM 1525 CB ARG A 92 13.758 23.830 -19.554 1.00 0.00 C ATOM 1526 CG ARG A 92 13.726 25.041 -20.494 1.00 0.00 C ATOM 1527 CD ARG A 92 14.887 25.988 -20.172 1.00 0.00 C ATOM 1528 NE ARG A 92 16.051 25.233 -19.719 1.00 0.00 N ATOM 1529 CZ ARG A 92 16.863 24.635 -20.585 1.00 0.00 C ATOM 1530 NH1 ARG A 92 16.620 24.708 -21.865 1.00 0.00 N ATOM 1531 NH2 ARG A 92 17.902 23.972 -20.155 1.00 0.00 N ATOM 0 H ARG A 92 13.544 22.235 -17.661 1.00 0.00 H new ATOM 0 HA ARG A 92 14.403 24.983 -17.853 1.00 0.00 H new ATOM 0 HB2 ARG A 92 14.698 23.291 -19.674 1.00 0.00 H new ATOM 0 HB3 ARG A 92 12.958 23.137 -19.814 1.00 0.00 H new ATOM 0 HG2 ARG A 92 13.794 24.709 -21.530 1.00 0.00 H new ATOM 0 HG3 ARG A 92 12.777 25.567 -20.389 1.00 0.00 H new ATOM 0 HD2 ARG A 92 15.145 26.570 -21.057 1.00 0.00 H new ATOM 0 HD3 ARG A 92 14.583 26.697 -19.401 1.00 0.00 H new ATOM 0 HE ARG A 92 16.245 25.163 -18.720 1.00 0.00 H new ATOM 0 HH11 ARG A 92 15.807 25.224 -22.201 1.00 0.00 H new ATOM 0 HH12 ARG A 92 17.243 24.249 -22.529 1.00 0.00 H new ATOM 0 HH21 ARG A 92 18.091 23.913 -19.154 1.00 0.00 H new ATOM 0 HH22 ARG A 92 18.525 23.513 -20.820 1.00 0.00 H new ATOM 1545 N ASP A 93 12.256 26.311 -18.139 1.00 0.00 N ATOM 1546 CA ASP A 93 11.031 27.094 -17.999 1.00 0.00 C ATOM 1547 C ASP A 93 11.045 28.288 -18.948 1.00 0.00 C ATOM 1548 O ASP A 93 10.246 29.213 -18.802 1.00 0.00 O ATOM 1549 CB ASP A 93 10.890 27.590 -16.560 1.00 0.00 C ATOM 1550 CG ASP A 93 10.846 26.405 -15.601 1.00 0.00 C ATOM 1551 OD1 ASP A 93 11.887 26.060 -15.068 1.00 0.00 O ATOM 1552 OD2 ASP A 93 9.770 25.859 -15.413 1.00 0.00 O ATOM 0 H ASP A 93 13.078 26.851 -18.409 1.00 0.00 H new ATOM 0 HA ASP A 93 10.185 26.454 -18.249 1.00 0.00 H new ATOM 0 HB2 ASP A 93 11.727 28.241 -16.308 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.982 28.184 -16.459 1.00 0.00 H new ATOM 1557 N THR A 94 11.962 28.250 -19.915 1.00 0.00 N ATOM 1558 CA THR A 94 12.106 29.321 -20.910 1.00 0.00 C ATOM 1559 C THR A 94 11.126 30.468 -20.665 1.00 0.00 C ATOM 1560 O THR A 94 9.914 30.305 -20.807 1.00 0.00 O ATOM 1561 CB THR A 94 11.885 28.753 -22.315 1.00 0.00 C ATOM 1562 OG1 THR A 94 12.000 29.801 -23.268 1.00 0.00 O ATOM 1563 CG2 THR A 94 10.490 28.125 -22.412 1.00 0.00 C ATOM 0 H THR A 94 12.624 27.483 -20.033 1.00 0.00 H new ATOM 0 HA THR A 94 13.116 29.721 -20.819 1.00 0.00 H new ATOM 0 HB THR A 94 12.635 27.988 -22.516 1.00 0.00 H new ATOM 0 HG1 THR A 94 11.861 29.441 -24.169 1.00 0.00 H new ATOM 0 HG21 THR A 94 10.341 27.723 -23.414 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.402 27.321 -21.682 1.00 0.00 H new ATOM 0 HG23 THR A 94 9.734 28.884 -22.209 1.00 0.00 H new ATOM 1571 N LEU A 95 11.663 31.628 -20.300 1.00 0.00 N ATOM 1572 CA LEU A 95 10.830 32.799 -20.041 1.00 0.00 C ATOM 1573 C LEU A 95 9.922 33.082 -21.236 1.00 0.00 C ATOM 1574 O LEU A 95 9.777 32.247 -22.129 1.00 0.00 O ATOM 1575 CB LEU A 95 11.717 34.017 -19.766 1.00 0.00 C ATOM 1576 CG LEU A 95 12.276 33.938 -18.343 1.00 0.00 C ATOM 1577 CD1 LEU A 95 13.155 32.693 -18.201 1.00 0.00 C ATOM 1578 CD2 LEU A 95 13.112 35.189 -18.057 1.00 0.00 C ATOM 0 H LEU A 95 12.664 31.783 -20.177 1.00 0.00 H new ATOM 0 HA LEU A 95 10.209 32.599 -19.168 1.00 0.00 H new ATOM 0 HB2 LEU A 95 12.534 34.054 -20.486 1.00 0.00 H new ATOM 0 HB3 LEU A 95 11.141 34.934 -19.890 1.00 0.00 H new ATOM 0 HG LEU A 95 11.451 33.878 -17.633 1.00 0.00 H new ATOM 0 HD11 LEU A 95 13.551 32.641 -17.187 1.00 0.00 H new ATOM 0 HD12 LEU A 95 12.560 31.803 -18.405 1.00 0.00 H new ATOM 0 HD13 LEU A 95 13.981 32.748 -18.910 1.00 0.00 H new ATOM 0 HD21 LEU A 95 13.512 35.136 -17.044 1.00 0.00 H new ATOM 0 HD22 LEU A 95 13.935 35.247 -18.769 1.00 0.00 H new ATOM 0 HD23 LEU A 95 12.485 36.075 -18.154 1.00 0.00 H new ATOM 1590 N TYR A 96 9.315 34.266 -21.247 1.00 0.00 N ATOM 1591 CA TYR A 96 8.423 34.652 -22.336 1.00 0.00 C ATOM 1592 C TYR A 96 8.974 34.177 -23.679 1.00 0.00 C ATOM 1593 O TYR A 96 10.187 34.143 -23.885 1.00 0.00 O ATOM 1594 CB TYR A 96 8.257 36.173 -22.359 1.00 0.00 C ATOM 1595 CG TYR A 96 7.410 36.573 -23.543 1.00 0.00 C ATOM 1596 CD1 TYR A 96 6.015 36.605 -23.428 1.00 0.00 C ATOM 1597 CD2 TYR A 96 8.021 36.912 -24.757 1.00 0.00 C ATOM 1598 CE1 TYR A 96 5.231 36.976 -24.527 1.00 0.00 C ATOM 1599 CE2 TYR A 96 7.236 37.284 -25.855 1.00 0.00 C ATOM 1600 CZ TYR A 96 5.841 37.316 -25.740 1.00 0.00 C ATOM 1601 OH TYR A 96 5.067 37.682 -26.823 1.00 0.00 O ATOM 0 H TYR A 96 9.424 34.971 -20.518 1.00 0.00 H new ATOM 0 HA TYR A 96 7.454 34.182 -22.170 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.790 36.512 -21.434 1.00 0.00 H new ATOM 0 HB3 TYR A 96 9.233 36.654 -22.418 1.00 0.00 H new ATOM 0 HD1 TYR A 96 5.544 36.344 -22.492 1.00 0.00 H new ATOM 0 HD2 TYR A 96 9.097 36.886 -24.846 1.00 0.00 H new ATOM 0 HE1 TYR A 96 4.155 37.000 -24.439 1.00 0.00 H new ATOM 0 HE2 TYR A 96 7.707 37.546 -26.791 1.00 0.00 H new ATOM 0 HH TYR A 96 5.647 37.887 -27.585 1.00 0.00 H new ATOM 1611 N GLN A 97 8.074 33.810 -24.586 1.00 0.00 N ATOM 1612 CA GLN A 97 8.477 33.337 -25.907 1.00 0.00 C ATOM 1613 C GLN A 97 7.476 33.796 -26.965 1.00 0.00 C ATOM 1614 O GLN A 97 6.942 34.902 -26.885 1.00 0.00 O ATOM 1615 CB GLN A 97 8.577 31.805 -25.904 1.00 0.00 C ATOM 1616 CG GLN A 97 7.255 31.192 -25.417 1.00 0.00 C ATOM 1617 CD GLN A 97 7.274 31.030 -23.899 1.00 0.00 C ATOM 1618 OE1 GLN A 97 7.543 31.987 -23.173 1.00 0.00 O ATOM 1619 NE2 GLN A 97 7.002 29.868 -23.373 1.00 0.00 N ATOM 0 H GLN A 97 7.066 33.831 -24.432 1.00 0.00 H new ATOM 0 HA GLN A 97 9.453 33.758 -26.148 1.00 0.00 H new ATOM 0 HB2 GLN A 97 8.806 31.446 -26.907 1.00 0.00 H new ATOM 0 HB3 GLN A 97 9.395 31.487 -25.257 1.00 0.00 H new ATOM 0 HG2 GLN A 97 6.421 31.829 -25.711 1.00 0.00 H new ATOM 0 HG3 GLN A 97 7.099 30.223 -25.891 1.00 0.00 H new ATOM 0 HE21 GLN A 97 6.779 29.075 -23.975 1.00 0.00 H new ATOM 0 HE22 GLN A 97 7.012 29.752 -22.360 1.00 0.00 H new ATOM 1628 N ASN A 98 7.224 32.945 -27.956 1.00 0.00 N ATOM 1629 CA ASN A 98 6.284 33.286 -29.019 1.00 0.00 C ATOM 1630 C ASN A 98 5.630 32.029 -29.581 1.00 0.00 C ATOM 1631 O ASN A 98 6.314 31.078 -29.962 1.00 0.00 O ATOM 1632 CB ASN A 98 7.011 34.031 -30.141 1.00 0.00 C ATOM 1633 CG ASN A 98 8.166 33.186 -30.666 1.00 0.00 C ATOM 1634 OD1 ASN A 98 9.221 33.115 -30.037 1.00 0.00 O ATOM 1635 ND2 ASN A 98 8.028 32.537 -31.791 1.00 0.00 N ATOM 0 H ASN A 98 7.653 32.024 -28.045 1.00 0.00 H new ATOM 0 HA ASN A 98 5.509 33.928 -28.600 1.00 0.00 H new ATOM 0 HB2 ASN A 98 6.316 34.254 -30.950 1.00 0.00 H new ATOM 0 HB3 ASN A 98 7.387 34.985 -29.771 1.00 0.00 H new ATOM 0 HD21 ASN A 98 8.796 31.970 -32.150 1.00 0.00 H new ATOM 0 HD22 ASN A 98 7.152 32.597 -32.311 1.00 0.00 H new ATOM 1642 N SER A 99 4.302 32.032 -29.631 1.00 0.00 N ATOM 1643 CA SER A 99 3.564 30.888 -30.149 1.00 0.00 C ATOM 1644 C SER A 99 2.139 31.290 -30.515 1.00 0.00 C ATOM 1645 O SER A 99 1.430 30.552 -31.201 1.00 0.00 O ATOM 1646 CB SER A 99 3.529 29.771 -29.105 1.00 0.00 C ATOM 1647 OG SER A 99 3.153 28.552 -29.733 1.00 0.00 O ATOM 0 H SER A 99 3.719 32.809 -29.321 1.00 0.00 H new ATOM 0 HA SER A 99 4.070 30.530 -31.046 1.00 0.00 H new ATOM 0 HB2 SER A 99 4.507 29.665 -28.636 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.821 30.019 -28.314 1.00 0.00 H new ATOM 0 HG SER A 99 2.432 28.723 -30.374 1.00 0.00 H new ATOM 1653 N GLY A 100 1.725 32.467 -30.055 1.00 0.00 N ATOM 1654 CA GLY A 100 0.382 32.961 -30.340 1.00 0.00 C ATOM 1655 C GLY A 100 0.344 33.700 -31.674 1.00 0.00 C ATOM 1656 O GLY A 100 -0.065 34.849 -31.682 1.00 0.00 O ATOM 1657 OXT GLY A 100 0.726 33.104 -32.668 1.00 0.00 O ATOM 0 H GLY A 100 2.296 33.093 -29.487 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.319 32.127 -30.362 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.059 33.628 -29.541 1.00 0.00 H new TER 1661 GLY A 100