USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 219 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 112 THR OG1 : rot -50:sc= 0.557 USER MOD Set 1.2: A 115 THR OG1 : rot -160:sc= 0.768 USER MOD Set 2.1: A 56 SER OG : rot -15:sc= -0.634 USER MOD Set 2.2: A 60 MET CE :methyl -171:sc= -2.25! (180deg=-2.61!) USER MOD Set 3.1: A 7 LYS NZ :NH3+ -131:sc= -0.42 (180deg=-0.0076) USER MOD Set 3.2: A 32 ASN : amide:sc= 0.225 K(o=-0.2,f=-0.87) USER MOD Set 4.1: A 17 MET CE :methyl 160:sc=-0.00169 (180deg=-0.518) USER MOD Set 4.2: A 109 LYS NZ :NH3+ -162:sc= 0.144 (180deg=-0.276) USER MOD Single : A 1 ARG N :NH3+ -167:sc= 0 (180deg=-0.127) USER MOD Single : A 2 SER OG : rot 49:sc= 0.411 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0217 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0523 USER MOD Single : A 23 ASN : amide:sc= 0.104 K(o=0.1,f=-5.8!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.863 K(o=-0.86,f=-0.24) USER MOD Single : A 44 ASN : amide:sc= -0.422 X(o=-0.42,f=-0.89) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.0899 USER MOD Single : A 59 ASN : amide:sc=-0.00778 X(o=-0.0078,f=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl 180:sc=-0.00323 (180deg=-0.00323) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 26:sc= 0.75 USER MOD Single : A 78 MET CE :methyl -113:sc=-0.00999 (180deg=-0.87) USER MOD Single : A 79 SER OG : rot 80:sc= 1.06 USER MOD Single : A 85 MET CE :methyl -161:sc= -1.43 (180deg=-2.38) USER MOD Single : A 87 THR OG1 : rot 19:sc= 0.128! USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 154:sc= 0.596 (180deg=0.256) USER MOD Single : A 94 ASN : amide:sc= 0.487 K(o=0.49,f=-5.7!) USER MOD Single : A 100 GLN : amide:sc= -0.457 K(o=-0.46,f=-1.9) USER MOD Single : A 104 SER OG : rot -110:sc= 0.555 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 169:sc= 0.0284 (180deg=0.0143) USER MOD Single : A 121 ASN : amide:sc= 0.783 K(o=0.78,f=-0.27) USER MOD Single : A 122 LYS NZ :NH3+ -159:sc= -0.061 (180deg=-0.522) USER MOD Single : A 126 LYS NZ :NH3+ -175:sc= 0.323 (180deg=0.311) USER MOD Single : A 129 MET CE :methyl -150:sc= 0 (180deg=-0.0335) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -14.678 1.613 -13.728 1.00 0.00 N ATOM 2 CA ARG A 1 -13.287 1.600 -13.210 1.00 0.00 C ATOM 3 C ARG A 1 -13.106 1.214 -11.719 1.00 0.00 C ATOM 4 O ARG A 1 -12.168 0.502 -11.369 1.00 0.00 O ATOM 5 CB ARG A 1 -12.623 2.957 -13.456 1.00 0.00 C ATOM 6 CG ARG A 1 -12.344 3.251 -14.927 1.00 0.00 C ATOM 7 CD ARG A 1 -11.278 2.315 -15.516 1.00 0.00 C ATOM 8 NE ARG A 1 -11.089 2.640 -16.937 1.00 0.00 N ATOM 9 CZ ARG A 1 -10.644 1.805 -17.885 1.00 0.00 C ATOM 10 NH1 ARG A 1 -10.237 0.575 -17.622 1.00 0.00 N ATOM 11 NH2 ARG A 1 -10.534 2.241 -19.137 1.00 0.00 N ATOM 0 H1 ARG A 1 -14.661 1.665 -14.767 1.00 0.00 H new ATOM 0 H2 ARG A 1 -15.166 0.743 -13.433 1.00 0.00 H new ATOM 0 H3 ARG A 1 -15.182 2.439 -13.348 1.00 0.00 H new ATOM 0 HA ARG A 1 -12.807 0.798 -13.771 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -13.263 3.742 -13.054 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -11.684 2.997 -12.903 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -13.268 3.150 -15.497 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -12.015 4.285 -15.033 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -10.338 2.428 -14.976 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -11.587 1.276 -15.405 1.00 0.00 H new ATOM 0 HE ARG A 1 -11.318 3.590 -17.228 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -10.254 0.226 -16.664 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -9.906 -0.025 -18.377 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -10.787 3.202 -19.366 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -10.196 1.614 -19.867 1.00 0.00 H new ATOM 20 N SER A 2 -14.033 1.680 -10.889 1.00 0.00 N ATOM 21 CA SER A 2 -14.042 1.435 -9.429 1.00 0.00 C ATOM 22 C SER A 2 -14.396 -0.023 -9.073 1.00 0.00 C ATOM 23 O SER A 2 -15.557 -0.378 -8.860 1.00 0.00 O ATOM 24 CB SER A 2 -14.997 2.420 -8.760 1.00 0.00 C ATOM 25 OG SER A 2 -16.299 2.273 -9.338 1.00 0.00 O ATOM 0 H SER A 2 -14.818 2.250 -11.205 1.00 0.00 H new ATOM 0 HA SER A 2 -13.032 1.595 -9.052 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.038 2.234 -7.687 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.639 3.441 -8.893 1.00 0.00 H new ATOM 0 HG SER A 2 -16.541 1.324 -9.362 1.00 0.00 H new ATOM 28 N ASP A 3 -13.369 -0.867 -9.162 1.00 0.00 N ATOM 29 CA ASP A 3 -13.483 -2.305 -8.837 1.00 0.00 C ATOM 30 C ASP A 3 -13.591 -2.500 -7.316 1.00 0.00 C ATOM 31 O ASP A 3 -12.621 -2.821 -6.637 1.00 0.00 O ATOM 32 CB ASP A 3 -12.297 -3.071 -9.446 1.00 0.00 C ATOM 33 CG ASP A 3 -12.472 -4.600 -9.391 1.00 0.00 C ATOM 34 OD1 ASP A 3 -13.112 -5.095 -8.428 1.00 0.00 O ATOM 35 OD2 ASP A 3 -12.025 -5.245 -10.360 1.00 0.00 O ATOM 0 H ASP A 3 -12.435 -0.584 -9.459 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.395 -2.712 -9.275 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -12.168 -2.763 -10.484 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.385 -2.797 -8.916 1.00 0.00 H new ATOM 37 N LYS A 4 -14.830 -2.424 -6.855 1.00 0.00 N ATOM 38 CA LYS A 4 -15.209 -2.568 -5.433 1.00 0.00 C ATOM 39 C LYS A 4 -14.712 -3.837 -4.730 1.00 0.00 C ATOM 40 O LYS A 4 -14.220 -3.775 -3.611 1.00 0.00 O ATOM 41 CB LYS A 4 -16.738 -2.492 -5.311 1.00 0.00 C ATOM 42 CG LYS A 4 -17.275 -1.173 -5.865 1.00 0.00 C ATOM 43 CD LYS A 4 -18.805 -1.137 -5.852 1.00 0.00 C ATOM 44 CE LYS A 4 -19.302 0.031 -6.696 1.00 0.00 C ATOM 45 NZ LYS A 4 -20.772 0.056 -6.683 1.00 0.00 N ATOM 0 H LYS A 4 -15.630 -2.256 -7.465 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.708 -1.746 -4.921 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.190 -3.325 -5.849 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.027 -2.594 -4.265 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.886 -0.344 -5.273 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.916 -1.033 -6.885 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -19.203 -2.074 -6.241 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -19.167 -1.038 -4.829 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.908 0.969 -6.305 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.939 -0.065 -7.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -21.111 0.853 -7.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -21.138 -0.835 -7.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -21.109 0.168 -5.705 1.00 0.00 H new ATOM 50 N GLU A 5 -14.627 -4.930 -5.496 1.00 0.00 N ATOM 51 CA GLU A 5 -14.190 -6.260 -5.023 1.00 0.00 C ATOM 52 C GLU A 5 -12.660 -6.384 -4.785 1.00 0.00 C ATOM 53 O GLU A 5 -12.213 -7.394 -4.232 1.00 0.00 O ATOM 54 CB GLU A 5 -14.675 -7.262 -6.079 1.00 0.00 C ATOM 55 CG GLU A 5 -15.049 -8.649 -5.523 1.00 0.00 C ATOM 56 CD GLU A 5 -13.862 -9.552 -5.162 1.00 0.00 C ATOM 57 OE1 GLU A 5 -12.953 -9.678 -6.003 1.00 0.00 O ATOM 58 OE2 GLU A 5 -13.962 -10.158 -4.070 1.00 0.00 O ATOM 0 H GLU A 5 -14.865 -4.920 -6.488 1.00 0.00 H new ATOM 0 HA GLU A 5 -14.619 -6.452 -4.040 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -15.543 -6.843 -6.587 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.895 -7.385 -6.830 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.664 -8.512 -4.634 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.665 -9.164 -6.260 1.00 0.00 H new ATOM 60 N LEU A 6 -11.947 -5.267 -4.920 1.00 0.00 N ATOM 61 CA LEU A 6 -10.476 -5.172 -4.792 1.00 0.00 C ATOM 62 C LEU A 6 -9.975 -5.459 -3.362 1.00 0.00 C ATOM 63 O LEU A 6 -10.502 -4.944 -2.383 1.00 0.00 O ATOM 64 CB LEU A 6 -10.072 -3.754 -5.218 1.00 0.00 C ATOM 65 CG LEU A 6 -8.753 -3.721 -6.000 1.00 0.00 C ATOM 66 CD1 LEU A 6 -8.700 -2.434 -6.834 1.00 0.00 C ATOM 67 CD2 LEU A 6 -7.542 -3.822 -5.081 1.00 0.00 C ATOM 0 H LEU A 6 -12.382 -4.368 -5.128 1.00 0.00 H new ATOM 0 HA LEU A 6 -10.018 -5.931 -5.427 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -10.864 -3.325 -5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.980 -3.126 -4.332 1.00 0.00 H new ATOM 0 HG LEU A 6 -8.718 -4.589 -6.658 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -7.765 -2.401 -7.394 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -9.540 -2.416 -7.529 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -8.757 -1.569 -6.173 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.630 -3.795 -5.677 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.544 -2.985 -4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.584 -4.759 -4.525 1.00 0.00 H new ATOM 69 N LYS A 7 -9.028 -6.402 -3.320 1.00 0.00 N ATOM 70 CA LYS A 7 -8.328 -6.840 -2.100 1.00 0.00 C ATOM 71 C LYS A 7 -7.134 -5.933 -1.755 1.00 0.00 C ATOM 72 O LYS A 7 -6.155 -5.869 -2.507 1.00 0.00 O ATOM 73 CB LYS A 7 -7.813 -8.282 -2.236 1.00 0.00 C ATOM 74 CG LYS A 7 -8.806 -9.428 -2.021 1.00 0.00 C ATOM 75 CD LYS A 7 -9.878 -9.538 -3.109 1.00 0.00 C ATOM 76 CE LYS A 7 -10.683 -10.845 -3.033 1.00 0.00 C ATOM 77 NZ LYS A 7 -11.331 -11.039 -1.721 1.00 0.00 N ATOM 0 H LYS A 7 -8.716 -6.898 -4.155 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.064 -6.781 -1.298 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.389 -8.391 -3.234 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.996 -8.412 -1.527 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.255 -10.367 -1.972 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.295 -9.295 -1.056 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.561 -8.692 -3.025 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.403 -9.468 -4.087 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.444 -10.844 -3.813 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.021 -11.687 -3.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.129 -11.998 -1.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.962 -10.340 -1.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.359 -10.915 -1.820 1.00 0.00 H new ATOM 82 N PHE A 8 -7.310 -5.159 -0.687 1.00 0.00 N ATOM 83 CA PHE A 8 -6.276 -4.240 -0.172 1.00 0.00 C ATOM 84 C PHE A 8 -5.546 -4.859 1.019 1.00 0.00 C ATOM 85 O PHE A 8 -6.176 -5.344 1.961 1.00 0.00 O ATOM 86 CB PHE A 8 -6.881 -2.927 0.345 1.00 0.00 C ATOM 87 CG PHE A 8 -7.309 -1.959 -0.748 1.00 0.00 C ATOM 88 CD1 PHE A 8 -8.511 -2.227 -1.445 1.00 0.00 C ATOM 89 CD2 PHE A 8 -6.516 -0.832 -1.063 1.00 0.00 C ATOM 90 CE1 PHE A 8 -8.920 -1.369 -2.477 1.00 0.00 C ATOM 91 CE2 PHE A 8 -6.935 0.035 -2.105 1.00 0.00 C ATOM 92 CZ PHE A 8 -8.127 -0.243 -2.812 1.00 0.00 C ATOM 0 H PHE A 8 -8.175 -5.145 -0.146 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.603 -4.052 -1.009 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.746 -3.159 0.967 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.151 -2.432 0.986 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -9.110 -3.087 -1.184 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.605 -0.634 -0.519 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.836 -1.566 -3.014 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.345 0.904 -2.357 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.437 0.409 -3.615 1.00 0.00 H new ATOM 94 N LEU A 9 -4.226 -4.873 0.937 1.00 0.00 N ATOM 95 CA LEU A 9 -3.416 -5.392 2.047 1.00 0.00 C ATOM 96 C LEU A 9 -2.741 -4.202 2.732 1.00 0.00 C ATOM 97 O LEU A 9 -1.860 -3.547 2.169 1.00 0.00 O ATOM 98 CB LEU A 9 -2.471 -6.497 1.569 1.00 0.00 C ATOM 99 CG LEU A 9 -1.922 -7.385 2.712 1.00 0.00 C ATOM 100 CD1 LEU A 9 -0.629 -6.778 3.217 1.00 0.00 C ATOM 101 CD2 LEU A 9 -2.891 -7.778 3.824 1.00 0.00 C ATOM 0 H LEU A 9 -3.693 -4.540 0.134 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.030 -5.888 2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.997 -7.127 0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.633 -6.043 1.040 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.736 -8.364 2.270 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.229 -7.393 4.023 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.094 -6.733 2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.820 -5.771 3.589 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.373 -8.398 4.555 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.268 -6.879 4.312 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.725 -8.337 3.399 1.00 0.00 H new ATOM 103 N VAL A 10 -3.438 -3.797 3.782 1.00 0.00 N ATOM 104 CA VAL A 10 -3.043 -2.655 4.638 1.00 0.00 C ATOM 105 C VAL A 10 -1.953 -3.115 5.607 1.00 0.00 C ATOM 106 O VAL A 10 -2.214 -3.761 6.620 1.00 0.00 O ATOM 107 CB VAL A 10 -4.250 -2.029 5.367 1.00 0.00 C ATOM 108 CG1 VAL A 10 -3.824 -0.797 6.173 1.00 0.00 C ATOM 109 CG2 VAL A 10 -5.350 -1.608 4.398 1.00 0.00 C ATOM 0 H VAL A 10 -4.304 -4.246 4.079 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.642 -1.861 4.008 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.638 -2.800 6.033 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.693 -0.374 6.677 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.079 -1.087 6.914 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.397 -0.053 5.501 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -6.179 -1.173 4.956 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.956 -0.870 3.699 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.702 -2.480 3.846 1.00 0.00 H new ATOM 111 N VAL A 11 -0.742 -2.691 5.284 1.00 0.00 N ATOM 112 CA VAL A 11 0.448 -3.012 6.083 1.00 0.00 C ATOM 113 C VAL A 11 0.834 -1.760 6.878 1.00 0.00 C ATOM 114 O VAL A 11 1.746 -1.005 6.554 1.00 0.00 O ATOM 115 CB VAL A 11 1.665 -3.499 5.273 1.00 0.00 C ATOM 116 CG1 VAL A 11 2.383 -4.538 6.135 1.00 0.00 C ATOM 117 CG2 VAL A 11 1.371 -4.062 3.885 1.00 0.00 C ATOM 0 H VAL A 11 -0.548 -2.116 4.464 1.00 0.00 H new ATOM 0 HA VAL A 11 0.178 -3.851 6.725 1.00 0.00 H new ATOM 0 HB VAL A 11 2.278 -2.624 5.058 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.256 -4.914 5.601 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.700 -4.078 7.071 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.705 -5.364 6.349 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.303 -4.371 3.413 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.707 -4.922 3.974 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.892 -3.296 3.275 1.00 0.00 H new ATOM 119 N ASP A 12 -0.004 -1.504 7.879 1.00 0.00 N ATOM 120 CA ASP A 12 0.161 -0.332 8.755 1.00 0.00 C ATOM 121 C ASP A 12 0.122 -0.747 10.226 1.00 0.00 C ATOM 122 O ASP A 12 -0.846 -0.471 10.927 1.00 0.00 O ATOM 123 CB ASP A 12 -0.896 0.720 8.403 1.00 0.00 C ATOM 124 CG ASP A 12 -0.606 1.395 7.050 1.00 0.00 C ATOM 125 OD1 ASP A 12 -0.969 0.793 6.013 1.00 0.00 O ATOM 126 OD2 ASP A 12 -0.002 2.483 7.086 1.00 0.00 O ATOM 0 H ASP A 12 -0.807 -2.089 8.109 1.00 0.00 H new ATOM 0 HA ASP A 12 1.140 0.119 8.592 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.879 0.250 8.371 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.930 1.477 9.187 1.00 0.00 H new ATOM 128 N ASP A 13 1.291 -1.249 10.656 1.00 0.00 N ATOM 129 CA ASP A 13 1.672 -1.796 11.977 1.00 0.00 C ATOM 130 C ASP A 13 0.834 -1.639 13.258 1.00 0.00 C ATOM 131 O ASP A 13 0.873 -2.506 14.131 1.00 0.00 O ATOM 132 CB ASP A 13 3.133 -1.460 12.284 1.00 0.00 C ATOM 133 CG ASP A 13 3.418 0.039 12.308 1.00 0.00 C ATOM 134 OD1 ASP A 13 3.658 0.575 11.206 1.00 0.00 O ATOM 135 OD2 ASP A 13 3.332 0.623 13.407 1.00 0.00 O ATOM 0 H ASP A 13 2.085 -1.287 10.017 1.00 0.00 H new ATOM 0 HA ASP A 13 1.441 -2.840 11.765 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.402 -1.889 13.249 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.771 -1.932 11.537 1.00 0.00 H new ATOM 137 N PHE A 14 0.098 -0.536 13.366 1.00 0.00 N ATOM 138 CA PHE A 14 -0.729 -0.240 14.536 1.00 0.00 C ATOM 139 C PHE A 14 -2.181 -0.586 14.169 1.00 0.00 C ATOM 140 O PHE A 14 -2.721 -0.108 13.169 1.00 0.00 O ATOM 141 CB PHE A 14 -0.594 1.251 14.841 1.00 0.00 C ATOM 142 CG PHE A 14 -0.571 1.506 16.340 1.00 0.00 C ATOM 143 CD1 PHE A 14 0.650 1.344 17.038 1.00 0.00 C ATOM 144 CD2 PHE A 14 -1.748 1.882 17.010 1.00 0.00 C ATOM 145 CE1 PHE A 14 0.683 1.559 18.438 1.00 0.00 C ATOM 146 CE2 PHE A 14 -1.725 2.097 18.410 1.00 0.00 C ATOM 147 CZ PHE A 14 -0.505 1.935 19.108 1.00 0.00 C ATOM 0 H PHE A 14 0.057 0.182 12.642 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.425 -0.813 15.412 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.321 1.636 14.390 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.425 1.794 14.390 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.547 1.059 16.509 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.668 2.007 16.459 1.00 0.00 H new ATOM 0 HE1 PHE A 14 1.605 1.437 18.988 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.625 2.380 18.936 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.480 2.102 20.175 1.00 0.00 H new ATOM 149 N SER A 15 -2.773 -1.461 14.993 1.00 0.00 N ATOM 150 CA SER A 15 -4.174 -1.927 14.837 1.00 0.00 C ATOM 151 C SER A 15 -5.151 -0.805 14.465 1.00 0.00 C ATOM 152 O SER A 15 -5.873 -0.916 13.476 1.00 0.00 O ATOM 153 CB SER A 15 -4.635 -2.611 16.130 1.00 0.00 C ATOM 154 OG SER A 15 -3.647 -3.563 16.532 1.00 0.00 O ATOM 0 H SER A 15 -2.297 -1.873 15.795 1.00 0.00 H new ATOM 0 HA SER A 15 -4.181 -2.633 14.006 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.785 -1.870 16.915 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.593 -3.107 15.973 1.00 0.00 H new ATOM 0 HG SER A 15 -3.934 -4.003 17.359 1.00 0.00 H new ATOM 157 N THR A 16 -4.996 0.337 15.141 1.00 0.00 N ATOM 158 CA THR A 16 -5.793 1.559 14.928 1.00 0.00 C ATOM 159 C THR A 16 -5.673 2.043 13.476 1.00 0.00 C ATOM 160 O THR A 16 -6.665 2.014 12.758 1.00 0.00 O ATOM 161 CB THR A 16 -5.327 2.660 15.884 1.00 0.00 C ATOM 162 OG1 THR A 16 -4.997 2.063 17.145 1.00 0.00 O ATOM 163 CG2 THR A 16 -6.394 3.734 16.072 1.00 0.00 C ATOM 0 H THR A 16 -4.294 0.445 15.873 1.00 0.00 H new ATOM 0 HA THR A 16 -6.839 1.326 15.128 1.00 0.00 H new ATOM 0 HB THR A 16 -4.452 3.148 15.456 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.695 2.758 17.767 1.00 0.00 H new ATOM 0 HG21 THR A 16 -6.025 4.497 16.757 1.00 0.00 H new ATOM 0 HG22 THR A 16 -6.624 4.191 15.109 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.296 3.282 16.484 1.00 0.00 H new ATOM 166 N MET A 17 -4.443 2.278 13.003 1.00 0.00 N ATOM 167 CA MET A 17 -4.194 2.752 11.621 1.00 0.00 C ATOM 168 C MET A 17 -4.719 1.780 10.556 1.00 0.00 C ATOM 169 O MET A 17 -5.339 2.209 9.585 1.00 0.00 O ATOM 170 CB MET A 17 -2.723 3.066 11.368 1.00 0.00 C ATOM 171 CG MET A 17 -2.559 4.534 10.943 1.00 0.00 C ATOM 172 SD MET A 17 -3.490 5.033 9.443 1.00 0.00 S ATOM 173 CE MET A 17 -2.404 4.455 8.163 1.00 0.00 C ATOM 0 H MET A 17 -3.595 2.149 13.555 1.00 0.00 H new ATOM 0 HA MET A 17 -4.758 3.680 11.531 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.142 2.874 12.270 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.332 2.409 10.591 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.871 5.170 11.771 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.500 4.728 10.773 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.961 4.355 7.231 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.591 5.168 8.026 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.992 3.486 8.445 1.00 0.00 H new ATOM 175 N ARG A 18 -4.493 0.480 10.779 1.00 0.00 N ATOM 176 CA ARG A 18 -4.988 -0.591 9.894 1.00 0.00 C ATOM 177 C ARG A 18 -6.518 -0.506 9.716 1.00 0.00 C ATOM 178 O ARG A 18 -7.009 -0.359 8.596 1.00 0.00 O ATOM 179 CB ARG A 18 -4.552 -1.961 10.438 1.00 0.00 C ATOM 180 CG ARG A 18 -3.174 -2.327 9.897 1.00 0.00 C ATOM 181 CD ARG A 18 -2.405 -3.287 10.809 1.00 0.00 C ATOM 182 NE ARG A 18 -2.850 -4.686 10.684 1.00 0.00 N ATOM 183 CZ ARG A 18 -3.341 -5.441 11.667 1.00 0.00 C ATOM 184 NH1 ARG A 18 -3.688 -4.936 12.846 1.00 0.00 N ATOM 185 NH2 ARG A 18 -3.626 -6.720 11.452 1.00 0.00 N ATOM 0 H ARG A 18 -3.961 0.136 11.579 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.549 -0.461 8.905 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.529 -1.937 11.527 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.278 -2.722 10.151 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.286 -2.782 8.913 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.590 -1.417 9.763 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.342 -3.228 10.575 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.521 -2.966 11.844 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.776 -5.116 9.762 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.582 -3.937 13.024 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.060 -5.547 13.573 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.469 -7.130 10.531 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.001 -7.293 12.208 1.00 0.00 H new ATOM 192 N ARG A 19 -7.206 -0.360 10.847 1.00 0.00 N ATOM 193 CA ARG A 19 -8.675 -0.205 10.898 1.00 0.00 C ATOM 194 C ARG A 19 -9.141 1.134 10.275 1.00 0.00 C ATOM 195 O ARG A 19 -10.162 1.165 9.596 1.00 0.00 O ATOM 196 CB ARG A 19 -9.173 -0.279 12.339 1.00 0.00 C ATOM 197 CG ARG A 19 -10.644 -0.694 12.363 1.00 0.00 C ATOM 198 CD ARG A 19 -11.381 -0.147 13.583 1.00 0.00 C ATOM 199 NE ARG A 19 -11.726 1.273 13.368 1.00 0.00 N ATOM 200 CZ ARG A 19 -12.382 2.058 14.217 1.00 0.00 C ATOM 201 NH1 ARG A 19 -12.812 1.634 15.399 1.00 0.00 N ATOM 202 NH2 ARG A 19 -12.649 3.308 13.873 1.00 0.00 N ATOM 0 H ARG A 19 -6.764 -0.345 11.766 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.097 -1.023 10.314 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.575 -0.995 12.903 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.052 0.689 12.825 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -11.134 -0.339 11.456 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.712 -1.782 12.358 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -12.286 -0.727 13.762 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.757 -0.248 14.471 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.433 1.691 12.485 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.643 0.670 15.688 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.311 2.272 16.019 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -12.352 3.661 12.963 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.152 3.918 14.518 1.00 0.00 H new ATOM 209 N ILE A 20 -8.397 2.213 10.530 1.00 0.00 N ATOM 210 CA ILE A 20 -8.714 3.552 9.966 1.00 0.00 C ATOM 211 C ILE A 20 -8.777 3.477 8.426 1.00 0.00 C ATOM 212 O ILE A 20 -9.776 3.878 7.837 1.00 0.00 O ATOM 213 CB ILE A 20 -7.729 4.640 10.471 1.00 0.00 C ATOM 214 CG1 ILE A 20 -7.756 4.805 12.000 1.00 0.00 C ATOM 215 CG2 ILE A 20 -7.886 5.998 9.766 1.00 0.00 C ATOM 216 CD1 ILE A 20 -9.135 5.062 12.642 1.00 0.00 C ATOM 0 H ILE A 20 -7.567 2.198 11.123 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.698 3.854 10.324 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.744 4.262 10.196 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.334 3.905 12.447 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.097 5.632 12.265 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.164 6.705 10.173 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.711 5.875 8.697 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.895 6.377 9.927 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -9.021 5.160 13.722 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.559 5.981 12.237 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -9.800 4.227 12.422 1.00 0.00 H new ATOM 218 N VAL A 21 -7.770 2.851 7.817 1.00 0.00 N ATOM 219 CA VAL A 21 -7.723 2.666 6.347 1.00 0.00 C ATOM 220 C VAL A 21 -8.946 1.839 5.892 1.00 0.00 C ATOM 221 O VAL A 21 -9.606 2.218 4.932 1.00 0.00 O ATOM 222 CB VAL A 21 -6.405 2.010 5.877 1.00 0.00 C ATOM 223 CG1 VAL A 21 -6.318 2.055 4.347 1.00 0.00 C ATOM 224 CG2 VAL A 21 -5.162 2.708 6.433 1.00 0.00 C ATOM 0 H VAL A 21 -6.969 2.459 8.311 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.758 3.652 5.883 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.423 0.986 6.249 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.387 1.591 4.022 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.162 1.514 3.919 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.343 3.092 4.011 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.267 2.203 6.069 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.151 3.747 6.105 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.181 2.672 7.522 1.00 0.00 H new ATOM 226 N ARG A 22 -9.278 0.793 6.656 1.00 0.00 N ATOM 227 CA ARG A 22 -10.462 -0.054 6.411 1.00 0.00 C ATOM 228 C ARG A 22 -11.729 0.820 6.310 1.00 0.00 C ATOM 229 O ARG A 22 -12.370 0.838 5.261 1.00 0.00 O ATOM 230 CB ARG A 22 -10.583 -1.070 7.544 1.00 0.00 C ATOM 231 CG ARG A 22 -11.806 -1.976 7.429 1.00 0.00 C ATOM 232 CD ARG A 22 -11.898 -2.942 8.613 1.00 0.00 C ATOM 233 NE ARG A 22 -12.812 -4.030 8.228 1.00 0.00 N ATOM 234 CZ ARG A 22 -12.467 -5.292 7.971 1.00 0.00 C ATOM 235 NH1 ARG A 22 -11.208 -5.716 8.101 1.00 0.00 N ATOM 236 NH2 ARG A 22 -13.380 -6.171 7.596 1.00 0.00 N ATOM 0 H ARG A 22 -8.733 0.504 7.468 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.351 -0.586 5.466 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.685 -1.688 7.563 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.624 -0.538 8.494 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -12.709 -1.367 7.383 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -11.756 -2.542 6.499 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -10.914 -3.338 8.861 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.267 -2.427 9.500 1.00 0.00 H new ATOM 0 HE ARG A 22 -13.802 -3.796 8.151 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.481 -5.068 8.404 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.973 -6.688 7.897 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -14.355 -5.885 7.502 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.110 -7.135 7.401 1.00 0.00 H new ATOM 243 N ASN A 23 -11.944 1.664 7.317 1.00 0.00 N ATOM 244 CA ASN A 23 -13.081 2.608 7.386 1.00 0.00 C ATOM 245 C ASN A 23 -13.180 3.494 6.133 1.00 0.00 C ATOM 246 O ASN A 23 -14.251 3.615 5.525 1.00 0.00 O ATOM 247 CB ASN A 23 -12.966 3.502 8.633 1.00 0.00 C ATOM 248 CG ASN A 23 -12.947 2.726 9.955 1.00 0.00 C ATOM 249 OD1 ASN A 23 -12.105 2.936 10.813 1.00 0.00 O ATOM 250 ND2 ASN A 23 -13.859 1.799 10.130 1.00 0.00 N ATOM 0 H ASN A 23 -11.327 1.720 8.128 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.987 2.004 7.445 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.055 4.096 8.559 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.803 4.201 8.645 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -13.868 1.248 10.988 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -14.559 1.630 9.408 1.00 0.00 H new ATOM 254 N LEU A 24 -12.029 4.009 5.700 1.00 0.00 N ATOM 255 CA LEU A 24 -11.878 4.844 4.497 1.00 0.00 C ATOM 256 C LEU A 24 -12.273 4.091 3.220 1.00 0.00 C ATOM 257 O LEU A 24 -13.042 4.591 2.409 1.00 0.00 O ATOM 258 CB LEU A 24 -10.407 5.289 4.383 1.00 0.00 C ATOM 259 CG LEU A 24 -9.972 6.211 5.519 1.00 0.00 C ATOM 260 CD1 LEU A 24 -8.501 6.596 5.345 1.00 0.00 C ATOM 261 CD2 LEU A 24 -10.807 7.494 5.646 1.00 0.00 C ATOM 0 H LEU A 24 -11.147 3.855 6.188 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.542 5.703 4.597 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.766 4.407 4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.261 5.800 3.432 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.129 5.641 6.435 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.198 7.254 6.160 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.886 5.696 5.357 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.370 7.112 4.394 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.432 8.092 6.477 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.733 8.069 4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.849 7.233 5.829 1.00 0.00 H new ATOM 263 N LEU A 25 -11.697 2.899 3.063 1.00 0.00 N ATOM 264 CA LEU A 25 -11.992 1.986 1.936 1.00 0.00 C ATOM 265 C LEU A 25 -13.493 1.671 1.860 1.00 0.00 C ATOM 266 O LEU A 25 -14.104 1.769 0.800 1.00 0.00 O ATOM 267 CB LEU A 25 -11.206 0.684 2.049 1.00 0.00 C ATOM 268 CG LEU A 25 -9.715 0.968 1.906 1.00 0.00 C ATOM 269 CD1 LEU A 25 -8.858 -0.213 2.369 1.00 0.00 C ATOM 270 CD2 LEU A 25 -9.326 1.352 0.474 1.00 0.00 C ATOM 0 H LEU A 25 -11.006 2.528 3.715 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.687 2.499 1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -11.405 0.210 3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.528 -0.015 1.277 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.517 1.821 2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.803 0.034 2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.065 -0.423 3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.095 -1.092 1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.254 1.544 0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.579 0.536 -0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.868 2.250 0.178 1.00 0.00 H new ATOM 272 N LYS A 26 -14.062 1.396 3.032 1.00 0.00 N ATOM 273 CA LYS A 26 -15.503 1.142 3.215 1.00 0.00 C ATOM 274 C LYS A 26 -16.319 2.353 2.712 1.00 0.00 C ATOM 275 O LYS A 26 -17.151 2.203 1.814 1.00 0.00 O ATOM 276 CB LYS A 26 -15.821 0.868 4.686 1.00 0.00 C ATOM 277 CG LYS A 26 -15.245 -0.462 5.200 1.00 0.00 C ATOM 278 CD LYS A 26 -16.060 -1.681 4.755 1.00 0.00 C ATOM 279 CE LYS A 26 -17.329 -1.844 5.608 1.00 0.00 C ATOM 280 NZ LYS A 26 -18.153 -2.933 5.063 1.00 0.00 N ATOM 0 H LYS A 26 -13.531 1.341 3.901 1.00 0.00 H new ATOM 0 HA LYS A 26 -15.776 0.261 2.635 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -15.428 1.684 5.293 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -16.903 0.863 4.821 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -14.220 -0.568 4.845 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -15.205 -0.437 6.289 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.335 -1.574 3.706 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -15.448 -2.579 4.834 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -17.059 -2.061 6.642 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -17.897 -0.913 5.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -19.011 -3.042 5.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -18.422 -2.708 4.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -17.610 -3.820 5.078 1.00 0.00 H new ATOM 285 N GLU A 27 -15.905 3.553 3.127 1.00 0.00 N ATOM 286 CA GLU A 27 -16.501 4.844 2.724 1.00 0.00 C ATOM 287 C GLU A 27 -16.463 5.038 1.193 1.00 0.00 C ATOM 288 O GLU A 27 -17.352 5.679 0.633 1.00 0.00 O ATOM 289 CB GLU A 27 -15.716 5.963 3.419 1.00 0.00 C ATOM 290 CG GLU A 27 -16.432 7.316 3.356 1.00 0.00 C ATOM 291 CD GLU A 27 -15.547 8.514 3.740 1.00 0.00 C ATOM 292 OE1 GLU A 27 -14.696 8.364 4.649 1.00 0.00 O ATOM 293 OE2 GLU A 27 -15.735 9.572 3.107 1.00 0.00 O ATOM 0 H GLU A 27 -15.123 3.664 3.772 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.550 4.864 3.021 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.552 5.692 4.462 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.734 6.054 2.955 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -16.811 7.467 2.345 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -17.296 7.289 4.020 1.00 0.00 H new ATOM 295 N LEU A 28 -15.355 4.613 0.583 1.00 0.00 N ATOM 296 CA LEU A 28 -15.127 4.667 -0.878 1.00 0.00 C ATOM 297 C LEU A 28 -15.932 3.637 -1.693 1.00 0.00 C ATOM 298 O LEU A 28 -16.123 3.814 -2.893 1.00 0.00 O ATOM 299 CB LEU A 28 -13.639 4.431 -1.189 1.00 0.00 C ATOM 300 CG LEU A 28 -12.714 5.550 -0.714 1.00 0.00 C ATOM 301 CD1 LEU A 28 -11.266 5.084 -0.815 1.00 0.00 C ATOM 302 CD2 LEU A 28 -12.921 6.838 -1.518 1.00 0.00 C ATOM 0 H LEU A 28 -14.569 4.212 1.094 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.463 5.661 -1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.327 3.495 -0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.519 4.309 -2.265 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.955 5.778 0.324 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.603 5.880 -0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.123 4.203 -0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.035 4.835 -1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.245 7.609 -1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.714 6.647 -2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.951 7.175 -1.406 1.00 0.00 H new ATOM 304 N GLY A 29 -16.265 2.520 -1.039 1.00 0.00 N ATOM 305 CA GLY A 29 -16.999 1.391 -1.634 1.00 0.00 C ATOM 306 C GLY A 29 -16.144 0.137 -1.881 1.00 0.00 C ATOM 307 O GLY A 29 -16.538 -0.724 -2.667 1.00 0.00 O ATOM 0 H GLY A 29 -16.028 2.369 -0.059 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.829 1.127 -0.978 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.431 1.713 -2.581 1.00 0.00 H new ATOM 309 N PHE A 30 -15.013 0.006 -1.182 1.00 0.00 N ATOM 310 CA PHE A 30 -14.117 -1.148 -1.320 1.00 0.00 C ATOM 311 C PHE A 30 -14.420 -2.254 -0.306 1.00 0.00 C ATOM 312 O PHE A 30 -14.237 -2.110 0.904 1.00 0.00 O ATOM 313 CB PHE A 30 -12.636 -0.753 -1.314 1.00 0.00 C ATOM 314 CG PHE A 30 -12.236 -0.059 -2.616 1.00 0.00 C ATOM 315 CD1 PHE A 30 -12.320 -0.772 -3.834 1.00 0.00 C ATOM 316 CD2 PHE A 30 -11.821 1.290 -2.592 1.00 0.00 C ATOM 317 CE1 PHE A 30 -11.990 -0.127 -5.047 1.00 0.00 C ATOM 318 CE2 PHE A 30 -11.471 1.935 -3.794 1.00 0.00 C ATOM 319 CZ PHE A 30 -11.565 1.221 -5.012 1.00 0.00 C ATOM 0 H PHE A 30 -14.692 0.697 -0.504 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.322 -1.565 -2.306 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -12.439 -0.090 -0.472 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.022 -1.642 -1.171 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -12.635 -1.805 -3.837 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.772 1.825 -1.655 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -12.061 -0.655 -5.986 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.135 2.961 -3.786 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.306 1.717 -5.936 1.00 0.00 H new ATOM 321 N ASN A 31 -14.814 -3.374 -0.911 1.00 0.00 N ATOM 322 CA ASN A 31 -15.227 -4.621 -0.247 1.00 0.00 C ATOM 323 C ASN A 31 -14.129 -5.382 0.504 1.00 0.00 C ATOM 324 O ASN A 31 -14.368 -5.767 1.656 1.00 0.00 O ATOM 325 CB ASN A 31 -15.892 -5.492 -1.333 1.00 0.00 C ATOM 326 CG ASN A 31 -16.366 -6.919 -0.987 1.00 0.00 C ATOM 327 OD1 ASN A 31 -16.780 -7.661 -1.874 1.00 0.00 O ATOM 328 ND2 ASN A 31 -16.246 -7.386 0.234 1.00 0.00 N ATOM 0 H ASN A 31 -14.858 -3.445 -1.928 1.00 0.00 H new ATOM 0 HA ASN A 31 -15.913 -4.362 0.559 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -16.757 -4.943 -1.705 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -15.187 -5.575 -2.160 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.495 -8.354 0.437 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.903 -6.781 0.980 1.00 0.00 H new ATOM 332 N ASN A 32 -12.970 -5.608 -0.097 1.00 0.00 N ATOM 333 CA ASN A 32 -11.952 -6.439 0.584 1.00 0.00 C ATOM 334 C ASN A 32 -10.679 -5.741 1.060 1.00 0.00 C ATOM 335 O ASN A 32 -9.918 -5.137 0.317 1.00 0.00 O ATOM 336 CB ASN A 32 -11.608 -7.683 -0.222 1.00 0.00 C ATOM 337 CG ASN A 32 -12.841 -8.559 -0.417 1.00 0.00 C ATOM 338 OD1 ASN A 32 -13.292 -9.285 0.456 1.00 0.00 O ATOM 339 ND2 ASN A 32 -13.353 -8.552 -1.626 1.00 0.00 N ATOM 0 H ASN A 32 -12.705 -5.251 -1.015 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.459 -6.713 1.509 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -11.205 -7.393 -1.192 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.830 -8.250 0.290 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.141 -9.160 -1.850 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -12.963 -7.939 -2.342 1.00 0.00 H new ATOM 343 N VAL A 33 -10.507 -5.898 2.360 1.00 0.00 N ATOM 344 CA VAL A 33 -9.345 -5.369 3.077 1.00 0.00 C ATOM 345 C VAL A 33 -8.826 -6.388 4.099 1.00 0.00 C ATOM 346 O VAL A 33 -9.547 -6.862 4.972 1.00 0.00 O ATOM 347 CB VAL A 33 -9.689 -3.996 3.673 1.00 0.00 C ATOM 348 CG1 VAL A 33 -10.868 -4.019 4.655 1.00 0.00 C ATOM 349 CG2 VAL A 33 -8.466 -3.338 4.318 1.00 0.00 C ATOM 0 H VAL A 33 -11.167 -6.397 2.956 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.516 -5.208 2.388 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.010 -3.392 2.824 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.048 -3.012 5.031 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.760 -4.380 4.144 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.634 -4.682 5.488 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.749 -2.369 4.729 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.090 -3.975 5.118 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.688 -3.201 3.567 1.00 0.00 H new ATOM 351 N GLU A 34 -7.628 -6.863 3.789 1.00 0.00 N ATOM 352 CA GLU A 34 -6.930 -7.812 4.661 1.00 0.00 C ATOM 353 C GLU A 34 -5.786 -6.964 5.226 1.00 0.00 C ATOM 354 O GLU A 34 -5.304 -6.028 4.592 1.00 0.00 O ATOM 355 CB GLU A 34 -6.496 -9.036 3.854 1.00 0.00 C ATOM 356 CG GLU A 34 -7.729 -9.873 3.479 1.00 0.00 C ATOM 357 CD GLU A 34 -7.474 -10.948 2.422 1.00 0.00 C ATOM 358 OE1 GLU A 34 -7.675 -10.621 1.231 1.00 0.00 O ATOM 359 OE2 GLU A 34 -7.207 -12.097 2.836 1.00 0.00 O ATOM 0 H GLU A 34 -7.116 -6.611 2.944 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.524 -8.241 5.468 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.970 -8.721 2.953 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.799 -9.639 4.436 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.114 -10.352 4.379 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.509 -9.204 3.116 1.00 0.00 H new ATOM 361 N GLU A 35 -5.515 -7.181 6.507 1.00 0.00 N ATOM 362 CA GLU A 35 -4.511 -6.332 7.172 1.00 0.00 C ATOM 363 C GLU A 35 -3.333 -7.043 7.823 1.00 0.00 C ATOM 364 O GLU A 35 -3.484 -7.910 8.676 1.00 0.00 O ATOM 365 CB GLU A 35 -5.237 -5.416 8.190 1.00 0.00 C ATOM 366 CG GLU A 35 -6.154 -4.405 7.488 1.00 0.00 C ATOM 367 CD GLU A 35 -7.261 -3.779 8.348 1.00 0.00 C ATOM 368 OE1 GLU A 35 -7.058 -3.625 9.567 1.00 0.00 O ATOM 369 OE2 GLU A 35 -8.311 -3.467 7.749 1.00 0.00 O ATOM 0 H GLU A 35 -5.947 -7.898 7.090 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.037 -5.761 6.373 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.825 -6.027 8.875 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.500 -4.883 8.791 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.535 -3.601 7.089 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.621 -4.900 6.637 1.00 0.00 H new ATOM 371 N ALA A 36 -2.181 -6.488 7.479 1.00 0.00 N ATOM 372 CA ALA A 36 -0.862 -6.961 7.928 1.00 0.00 C ATOM 373 C ALA A 36 -0.167 -5.881 8.764 1.00 0.00 C ATOM 374 O ALA A 36 -0.443 -4.690 8.630 1.00 0.00 O ATOM 375 CB ALA A 36 0.005 -7.308 6.718 1.00 0.00 C ATOM 0 H ALA A 36 -2.126 -5.675 6.865 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.000 -7.851 8.542 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.980 -7.657 7.057 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.479 -8.092 6.136 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.133 -6.422 6.096 1.00 0.00 H new ATOM 377 N GLU A 37 0.763 -6.331 9.594 1.00 0.00 N ATOM 378 CA GLU A 37 1.507 -5.411 10.470 1.00 0.00 C ATOM 379 C GLU A 37 2.828 -4.877 9.896 1.00 0.00 C ATOM 380 O GLU A 37 2.992 -3.678 9.681 1.00 0.00 O ATOM 381 CB GLU A 37 1.707 -6.007 11.861 1.00 0.00 C ATOM 382 CG GLU A 37 0.409 -5.950 12.683 1.00 0.00 C ATOM 383 CD GLU A 37 0.599 -6.436 14.124 1.00 0.00 C ATOM 384 OE1 GLU A 37 1.632 -6.077 14.732 1.00 0.00 O ATOM 385 OE2 GLU A 37 -0.292 -7.181 14.588 1.00 0.00 O ATOM 0 H GLU A 37 1.025 -7.313 9.686 1.00 0.00 H new ATOM 0 HA GLU A 37 0.867 -4.532 10.546 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.039 -7.041 11.772 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.495 -5.463 12.382 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.037 -4.926 12.696 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.352 -6.560 12.196 1.00 0.00 H new ATOM 387 N ASP A 38 3.704 -5.801 9.507 1.00 0.00 N ATOM 388 CA ASP A 38 5.035 -5.428 8.994 1.00 0.00 C ATOM 389 C ASP A 38 5.350 -6.133 7.666 1.00 0.00 C ATOM 390 O ASP A 38 4.696 -7.122 7.320 1.00 0.00 O ATOM 391 CB ASP A 38 6.095 -5.737 10.063 1.00 0.00 C ATOM 392 CG ASP A 38 6.471 -7.218 10.248 1.00 0.00 C ATOM 393 OD1 ASP A 38 5.637 -8.087 9.902 1.00 0.00 O ATOM 394 OD2 ASP A 38 7.650 -7.451 10.577 1.00 0.00 O ATOM 0 H ASP A 38 3.526 -6.805 9.534 1.00 0.00 H new ATOM 0 HA ASP A 38 5.044 -4.358 8.784 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.001 -5.183 9.816 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.738 -5.354 11.019 1.00 0.00 H new ATOM 396 N GLY A 39 6.481 -5.719 7.083 1.00 0.00 N ATOM 397 CA GLY A 39 7.017 -6.245 5.814 1.00 0.00 C ATOM 398 C GLY A 39 6.902 -7.765 5.629 1.00 0.00 C ATOM 399 O GLY A 39 6.219 -8.236 4.721 1.00 0.00 O ATOM 0 H GLY A 39 7.067 -4.989 7.489 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.498 -5.756 4.990 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.068 -5.966 5.740 1.00 0.00 H new ATOM 401 N VAL A 40 7.431 -8.504 6.600 1.00 0.00 N ATOM 402 CA VAL A 40 7.416 -9.983 6.615 1.00 0.00 C ATOM 403 C VAL A 40 5.984 -10.549 6.530 1.00 0.00 C ATOM 404 O VAL A 40 5.640 -11.201 5.542 1.00 0.00 O ATOM 405 CB VAL A 40 8.166 -10.522 7.856 1.00 0.00 C ATOM 406 CG1 VAL A 40 8.231 -12.052 7.811 1.00 0.00 C ATOM 407 CG2 VAL A 40 9.598 -9.986 7.942 1.00 0.00 C ATOM 0 H VAL A 40 7.891 -8.097 7.414 1.00 0.00 H new ATOM 0 HA VAL A 40 7.940 -10.327 5.724 1.00 0.00 H new ATOM 0 HB VAL A 40 7.610 -10.183 8.730 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.761 -12.420 8.690 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.220 -12.459 7.801 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.758 -12.367 6.911 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.086 -10.391 8.829 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.153 -10.287 7.053 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.576 -8.898 8.005 1.00 0.00 H new ATOM 409 N ASP A 41 5.127 -10.143 7.480 1.00 0.00 N ATOM 410 CA ASP A 41 3.715 -10.578 7.543 1.00 0.00 C ATOM 411 C ASP A 41 2.964 -10.250 6.243 1.00 0.00 C ATOM 412 O ASP A 41 2.151 -11.039 5.767 1.00 0.00 O ATOM 413 CB ASP A 41 3.079 -9.892 8.762 1.00 0.00 C ATOM 414 CG ASP A 41 1.628 -10.296 9.056 1.00 0.00 C ATOM 415 OD1 ASP A 41 1.314 -11.495 8.970 1.00 0.00 O ATOM 416 OD2 ASP A 41 0.892 -9.352 9.424 1.00 0.00 O ATOM 0 H ASP A 41 5.390 -9.503 8.229 1.00 0.00 H new ATOM 0 HA ASP A 41 3.656 -11.661 7.651 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.686 -10.112 9.640 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.116 -8.813 8.612 1.00 0.00 H new ATOM 418 N ALA A 42 3.307 -9.103 5.669 1.00 0.00 N ATOM 419 CA ALA A 42 2.747 -8.615 4.388 1.00 0.00 C ATOM 420 C ALA A 42 3.122 -9.540 3.241 1.00 0.00 C ATOM 421 O ALA A 42 2.219 -10.079 2.604 1.00 0.00 O ATOM 422 CB ALA A 42 3.271 -7.198 4.123 1.00 0.00 C ATOM 0 H ALA A 42 3.992 -8.467 6.077 1.00 0.00 H new ATOM 0 HA ALA A 42 1.659 -8.599 4.458 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.864 -6.830 3.181 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.963 -6.538 4.934 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.359 -7.217 4.065 1.00 0.00 H new ATOM 424 N LEU A 43 4.411 -9.855 3.110 1.00 0.00 N ATOM 425 CA LEU A 43 4.926 -10.780 2.072 1.00 0.00 C ATOM 426 C LEU A 43 4.191 -12.118 2.128 1.00 0.00 C ATOM 427 O LEU A 43 3.499 -12.459 1.170 1.00 0.00 O ATOM 428 CB LEU A 43 6.435 -11.035 2.200 1.00 0.00 C ATOM 429 CG LEU A 43 7.308 -9.859 1.755 1.00 0.00 C ATOM 430 CD1 LEU A 43 8.768 -10.163 2.084 1.00 0.00 C ATOM 431 CD2 LEU A 43 7.187 -9.574 0.254 1.00 0.00 C ATOM 0 H LEU A 43 5.139 -9.480 3.718 1.00 0.00 H new ATOM 0 HA LEU A 43 4.746 -10.292 1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.666 -11.272 3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.696 -11.912 1.607 1.00 0.00 H new ATOM 0 HG LEU A 43 6.961 -8.975 2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.394 -9.328 1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.876 -10.311 3.158 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.078 -11.067 1.560 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.826 -8.731 -0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.497 -10.454 -0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.152 -9.334 0.012 1.00 0.00 H new ATOM 433 N ASN A 44 4.101 -12.673 3.340 1.00 0.00 N ATOM 434 CA ASN A 44 3.398 -13.940 3.625 1.00 0.00 C ATOM 435 C ASN A 44 1.957 -13.927 3.077 1.00 0.00 C ATOM 436 O ASN A 44 1.603 -14.719 2.210 1.00 0.00 O ATOM 437 CB ASN A 44 3.409 -14.155 5.146 1.00 0.00 C ATOM 438 CG ASN A 44 4.820 -14.358 5.734 1.00 0.00 C ATOM 439 OD1 ASN A 44 5.163 -13.855 6.792 1.00 0.00 O ATOM 440 ND2 ASN A 44 5.706 -15.003 5.005 1.00 0.00 N ATOM 0 H ASN A 44 4.520 -12.252 4.169 1.00 0.00 H new ATOM 0 HA ASN A 44 3.909 -14.763 3.125 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.944 -13.295 5.629 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.797 -15.025 5.385 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.671 -15.080 5.325 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.427 -15.426 4.120 1.00 0.00 H new ATOM 444 N LYS A 45 1.221 -12.903 3.515 1.00 0.00 N ATOM 445 CA LYS A 45 -0.169 -12.640 3.086 1.00 0.00 C ATOM 446 C LYS A 45 -0.291 -12.455 1.566 1.00 0.00 C ATOM 447 O LYS A 45 -0.964 -13.245 0.910 1.00 0.00 O ATOM 448 CB LYS A 45 -0.673 -11.406 3.853 1.00 0.00 C ATOM 449 CG LYS A 45 -1.213 -11.819 5.225 1.00 0.00 C ATOM 450 CD LYS A 45 -1.427 -10.586 6.101 1.00 0.00 C ATOM 451 CE LYS A 45 -1.986 -10.929 7.483 1.00 0.00 C ATOM 452 NZ LYS A 45 -3.427 -11.175 7.407 1.00 0.00 N ATOM 0 H LYS A 45 1.571 -12.220 4.187 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.789 -13.506 3.319 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.138 -10.688 3.975 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.456 -10.908 3.281 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.153 -12.358 5.107 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.514 -12.501 5.709 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.479 -10.060 6.218 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.111 -9.903 5.597 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.481 -11.811 7.877 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.787 -10.111 8.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.790 -11.406 8.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.906 -10.323 7.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.610 -11.970 6.762 1.00 0.00 H new ATOM 457 N LEU A 46 0.522 -11.549 1.011 1.00 0.00 N ATOM 458 CA LEU A 46 0.580 -11.234 -0.430 1.00 0.00 C ATOM 459 C LEU A 46 0.865 -12.448 -1.326 1.00 0.00 C ATOM 460 O LEU A 46 0.193 -12.629 -2.344 1.00 0.00 O ATOM 461 CB LEU A 46 1.634 -10.149 -0.705 1.00 0.00 C ATOM 462 CG LEU A 46 1.209 -8.775 -0.189 1.00 0.00 C ATOM 463 CD1 LEU A 46 2.412 -7.839 -0.154 1.00 0.00 C ATOM 464 CD2 LEU A 46 0.070 -8.184 -1.029 1.00 0.00 C ATOM 0 H LEU A 46 1.178 -10.997 1.563 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.417 -10.876 -0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.575 -10.434 -0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.818 -10.090 -1.778 1.00 0.00 H new ATOM 0 HG LEU A 46 0.827 -8.893 0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.102 -6.861 0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.174 -8.251 0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.821 -7.735 -1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.205 -7.207 -0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.398 -8.077 -2.063 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.793 -8.848 -0.990 1.00 0.00 H new ATOM 466 N GLN A 47 1.753 -13.319 -0.855 1.00 0.00 N ATOM 467 CA GLN A 47 2.167 -14.553 -1.551 1.00 0.00 C ATOM 468 C GLN A 47 1.024 -15.530 -1.856 1.00 0.00 C ATOM 469 O GLN A 47 1.100 -16.284 -2.824 1.00 0.00 O ATOM 470 CB GLN A 47 3.326 -15.205 -0.791 1.00 0.00 C ATOM 471 CG GLN A 47 4.599 -14.380 -1.036 1.00 0.00 C ATOM 472 CD GLN A 47 5.779 -14.690 -0.106 1.00 0.00 C ATOM 473 OE1 GLN A 47 5.681 -14.826 1.104 1.00 0.00 O ATOM 474 NE2 GLN A 47 6.969 -14.626 -0.669 1.00 0.00 N ATOM 0 H GLN A 47 2.221 -13.191 0.042 1.00 0.00 H new ATOM 0 HA GLN A 47 2.514 -14.261 -2.542 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.103 -15.248 0.275 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.470 -16.231 -1.128 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.920 -14.538 -2.066 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.350 -13.323 -0.938 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.050 -14.512 -1.679 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.809 -14.690 -0.094 1.00 0.00 H new ATOM 478 N ALA A 48 -0.055 -15.434 -1.075 1.00 0.00 N ATOM 479 CA ALA A 48 -1.278 -16.251 -1.270 1.00 0.00 C ATOM 480 C ALA A 48 -2.098 -15.852 -2.510 1.00 0.00 C ATOM 481 O ALA A 48 -2.922 -16.631 -2.996 1.00 0.00 O ATOM 482 CB ALA A 48 -2.145 -16.154 -0.009 1.00 0.00 C ATOM 0 H ALA A 48 -0.116 -14.790 -0.286 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.956 -17.278 -1.444 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.047 -16.751 -0.141 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.584 -16.528 0.848 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.420 -15.114 0.164 1.00 0.00 H new ATOM 484 N GLY A 49 -1.865 -14.635 -3.004 1.00 0.00 N ATOM 485 CA GLY A 49 -2.545 -14.056 -4.185 1.00 0.00 C ATOM 486 C GLY A 49 -3.792 -13.251 -3.796 1.00 0.00 C ATOM 487 O GLY A 49 -3.908 -12.767 -2.667 1.00 0.00 O ATOM 0 H GLY A 49 -1.182 -14.001 -2.590 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.850 -13.410 -4.722 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.829 -14.857 -4.868 1.00 0.00 H new ATOM 489 N GLY A 50 -4.612 -12.961 -4.806 1.00 0.00 N ATOM 490 CA GLY A 50 -5.880 -12.207 -4.666 1.00 0.00 C ATOM 491 C GLY A 50 -5.744 -10.677 -4.511 1.00 0.00 C ATOM 492 O GLY A 50 -6.593 -9.925 -4.983 1.00 0.00 O ATOM 0 H GLY A 50 -4.419 -13.244 -5.767 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.499 -12.410 -5.540 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.416 -12.594 -3.799 1.00 0.00 H new ATOM 494 N TYR A 51 -4.682 -10.248 -3.825 1.00 0.00 N ATOM 495 CA TYR A 51 -4.397 -8.828 -3.580 1.00 0.00 C ATOM 496 C TYR A 51 -4.056 -8.043 -4.853 1.00 0.00 C ATOM 497 O TYR A 51 -3.108 -8.359 -5.563 1.00 0.00 O ATOM 498 CB TYR A 51 -3.274 -8.628 -2.572 1.00 0.00 C ATOM 499 CG TYR A 51 -3.594 -9.283 -1.230 1.00 0.00 C ATOM 500 CD1 TYR A 51 -4.531 -8.687 -0.370 1.00 0.00 C ATOM 501 CD2 TYR A 51 -2.968 -10.514 -0.926 1.00 0.00 C ATOM 502 CE1 TYR A 51 -4.851 -9.342 0.833 1.00 0.00 C ATOM 503 CE2 TYR A 51 -3.298 -11.169 0.266 1.00 0.00 C ATOM 504 CZ TYR A 51 -4.235 -10.573 1.136 1.00 0.00 C ATOM 505 OH TYR A 51 -4.475 -11.158 2.338 1.00 0.00 O ATOM 0 H TYR A 51 -3.990 -10.878 -3.420 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.329 -8.434 -3.173 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.350 -9.047 -2.970 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.103 -7.562 -2.425 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.996 -7.746 -0.627 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.245 -10.943 -1.604 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.562 -8.906 1.518 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.842 -12.116 0.516 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.979 -12.001 2.396 1.00 0.00 H new ATOM 508 N GLY A 52 -4.913 -7.071 -5.095 1.00 0.00 N ATOM 509 CA GLY A 52 -4.772 -6.136 -6.228 1.00 0.00 C ATOM 510 C GLY A 52 -4.197 -4.786 -5.784 1.00 0.00 C ATOM 511 O GLY A 52 -4.235 -3.828 -6.557 1.00 0.00 O ATOM 0 H GLY A 52 -5.735 -6.895 -4.517 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.122 -6.577 -6.984 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.745 -5.981 -6.695 1.00 0.00 H new ATOM 513 N PHE A 53 -3.774 -4.703 -4.515 1.00 0.00 N ATOM 514 CA PHE A 53 -3.199 -3.483 -3.909 1.00 0.00 C ATOM 515 C PHE A 53 -2.438 -3.721 -2.590 1.00 0.00 C ATOM 516 O PHE A 53 -2.899 -4.437 -1.697 1.00 0.00 O ATOM 517 CB PHE A 53 -4.346 -2.508 -3.631 1.00 0.00 C ATOM 518 CG PHE A 53 -3.891 -1.070 -3.826 1.00 0.00 C ATOM 519 CD1 PHE A 53 -3.991 -0.494 -5.108 1.00 0.00 C ATOM 520 CD2 PHE A 53 -3.347 -0.359 -2.740 1.00 0.00 C ATOM 521 CE1 PHE A 53 -3.517 0.813 -5.313 1.00 0.00 C ATOM 522 CE2 PHE A 53 -2.873 0.949 -2.935 1.00 0.00 C ATOM 523 CZ PHE A 53 -2.963 1.525 -4.227 1.00 0.00 C ATOM 0 H PHE A 53 -3.820 -5.490 -3.867 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.469 -3.095 -4.620 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -5.182 -2.723 -4.297 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.707 -2.645 -2.612 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.427 -1.051 -5.924 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.294 -0.816 -1.763 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.576 1.268 -6.291 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.447 1.507 -2.114 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.600 2.530 -4.384 1.00 0.00 H new ATOM 525 N VAL A 54 -1.306 -3.035 -2.494 1.00 0.00 N ATOM 526 CA VAL A 54 -0.414 -3.054 -1.305 1.00 0.00 C ATOM 527 C VAL A 54 -0.288 -1.602 -0.830 1.00 0.00 C ATOM 528 O VAL A 54 0.254 -0.727 -1.524 1.00 0.00 O ATOM 529 CB VAL A 54 1.004 -3.589 -1.596 1.00 0.00 C ATOM 530 CG1 VAL A 54 1.816 -3.748 -0.297 1.00 0.00 C ATOM 531 CG2 VAL A 54 0.978 -4.922 -2.331 1.00 0.00 C ATOM 0 H VAL A 54 -0.962 -2.435 -3.244 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.852 -3.723 -0.564 1.00 0.00 H new ATOM 0 HB VAL A 54 1.482 -2.850 -2.238 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.810 -4.126 -0.534 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.904 -2.781 0.198 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.309 -4.450 0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.999 -5.257 -2.513 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.456 -5.662 -1.724 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.460 -4.803 -3.283 1.00 0.00 H new ATOM 533 N ILE A 55 -0.875 -1.357 0.320 1.00 0.00 N ATOM 534 CA ILE A 55 -0.870 -0.044 0.995 1.00 0.00 C ATOM 535 C ILE A 55 -0.079 -0.243 2.305 1.00 0.00 C ATOM 536 O ILE A 55 -0.549 -0.838 3.268 1.00 0.00 O ATOM 537 CB ILE A 55 -2.308 0.501 1.106 1.00 0.00 C ATOM 538 CG1 ILE A 55 -2.362 1.833 1.862 1.00 0.00 C ATOM 539 CG2 ILE A 55 -3.301 -0.514 1.661 1.00 0.00 C ATOM 540 CD1 ILE A 55 -3.720 2.548 1.911 1.00 0.00 C ATOM 0 H ILE A 55 -1.386 -2.072 0.838 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.365 0.748 0.442 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.629 0.697 0.083 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.035 1.655 2.886 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.638 2.510 1.409 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.292 -0.063 1.712 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.332 -1.387 1.009 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.990 -0.819 2.660 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.622 3.476 2.474 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.050 2.772 0.897 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.453 1.904 2.397 1.00 0.00 H new ATOM 542 N SER A 56 1.183 0.143 2.202 1.00 0.00 N ATOM 543 CA SER A 56 2.184 -0.067 3.271 1.00 0.00 C ATOM 544 C SER A 56 2.839 1.163 3.895 1.00 0.00 C ATOM 545 O SER A 56 3.420 1.999 3.212 1.00 0.00 O ATOM 546 CB SER A 56 3.290 -0.983 2.732 1.00 0.00 C ATOM 547 OG SER A 56 3.979 -1.631 3.813 1.00 0.00 O ATOM 0 H SER A 56 1.557 0.613 1.378 1.00 0.00 H new ATOM 0 HA SER A 56 1.603 -0.497 4.087 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.858 -1.732 2.068 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.996 -0.401 2.140 1.00 0.00 H new ATOM 0 HG SER A 56 3.766 -1.178 4.655 1.00 0.00 H new ATOM 550 N ASP A 57 2.921 1.097 5.226 1.00 0.00 N ATOM 551 CA ASP A 57 3.525 2.138 6.091 1.00 0.00 C ATOM 552 C ASP A 57 5.055 2.152 5.939 1.00 0.00 C ATOM 553 O ASP A 57 5.702 1.110 5.991 1.00 0.00 O ATOM 554 CB ASP A 57 3.147 1.824 7.543 1.00 0.00 C ATOM 555 CG ASP A 57 3.452 2.887 8.609 1.00 0.00 C ATOM 556 OD1 ASP A 57 4.265 3.803 8.334 1.00 0.00 O ATOM 557 OD2 ASP A 57 2.823 2.782 9.680 1.00 0.00 O ATOM 0 H ASP A 57 2.563 0.302 5.755 1.00 0.00 H new ATOM 0 HA ASP A 57 3.152 3.120 5.801 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.077 1.617 7.573 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.658 0.905 7.831 1.00 0.00 H new ATOM 559 N TRP A 58 5.599 3.360 5.764 1.00 0.00 N ATOM 560 CA TRP A 58 7.060 3.595 5.651 1.00 0.00 C ATOM 561 C TRP A 58 7.790 3.036 6.891 1.00 0.00 C ATOM 562 O TRP A 58 8.697 2.213 6.783 1.00 0.00 O ATOM 563 CB TRP A 58 7.314 5.093 5.485 1.00 0.00 C ATOM 564 CG TRP A 58 8.724 5.377 4.942 1.00 0.00 C ATOM 565 CD1 TRP A 58 9.856 5.405 5.640 1.00 0.00 C ATOM 566 CD2 TRP A 58 9.062 5.421 3.601 1.00 0.00 C ATOM 567 NE1 TRP A 58 10.904 5.429 4.808 1.00 0.00 N ATOM 568 CE2 TRP A 58 10.472 5.426 3.549 1.00 0.00 C ATOM 569 CE3 TRP A 58 8.291 5.420 2.423 1.00 0.00 C ATOM 570 CZ2 TRP A 58 11.130 5.390 2.298 1.00 0.00 C ATOM 571 CZ3 TRP A 58 8.958 5.363 1.182 1.00 0.00 C ATOM 572 CH2 TRP A 58 10.368 5.339 1.130 1.00 0.00 C ATOM 0 H TRP A 58 5.044 4.213 5.695 1.00 0.00 H new ATOM 0 HA TRP A 58 7.451 3.074 4.777 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.572 5.514 4.807 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.187 5.592 6.446 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.920 5.408 6.718 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.883 5.447 5.094 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.213 5.462 2.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.209 5.402 2.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.386 5.338 0.266 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.864 5.280 0.173 1.00 0.00 H new ATOM 575 N ASN A 59 7.223 3.362 8.051 1.00 0.00 N ATOM 576 CA ASN A 59 7.713 2.935 9.372 1.00 0.00 C ATOM 577 C ASN A 59 6.970 1.649 9.757 1.00 0.00 C ATOM 578 O ASN A 59 5.750 1.663 9.909 1.00 0.00 O ATOM 579 CB ASN A 59 7.419 4.069 10.369 1.00 0.00 C ATOM 580 CG ASN A 59 7.690 3.673 11.819 1.00 0.00 C ATOM 581 OD1 ASN A 59 8.820 3.631 12.288 1.00 0.00 O ATOM 582 ND2 ASN A 59 6.669 3.229 12.513 1.00 0.00 N ATOM 0 H ASN A 59 6.388 3.945 8.106 1.00 0.00 H new ATOM 0 HA ASN A 59 8.784 2.734 9.370 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.029 4.936 10.115 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.377 4.372 10.269 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.815 2.847 13.447 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.729 3.266 12.118 1.00 0.00 H new ATOM 586 N MET A 60 7.696 0.536 9.660 1.00 0.00 N ATOM 587 CA MET A 60 7.202 -0.811 9.995 1.00 0.00 C ATOM 588 C MET A 60 8.290 -1.623 10.716 1.00 0.00 C ATOM 589 O MET A 60 9.450 -1.588 10.284 1.00 0.00 O ATOM 590 CB MET A 60 6.747 -1.554 8.728 1.00 0.00 C ATOM 591 CG MET A 60 5.398 -1.061 8.209 1.00 0.00 C ATOM 592 SD MET A 60 4.662 -2.123 6.924 1.00 0.00 S ATOM 593 CE MET A 60 6.030 -2.501 5.853 1.00 0.00 C ATOM 0 H MET A 60 8.665 0.539 9.340 1.00 0.00 H new ATOM 0 HA MET A 60 6.347 -0.700 10.662 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.499 -1.430 7.949 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.682 -2.621 8.941 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.704 -0.987 9.046 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.521 -0.055 7.807 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.663 -3.004 4.958 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.535 -1.578 5.569 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.731 -3.153 6.374 1.00 0.00 H new ATOM 595 N PRO A 61 7.940 -2.318 11.819 1.00 0.00 N ATOM 596 CA PRO A 61 8.888 -3.138 12.610 1.00 0.00 C ATOM 597 C PRO A 61 9.533 -4.223 11.743 1.00 0.00 C ATOM 598 O PRO A 61 8.890 -4.764 10.856 1.00 0.00 O ATOM 599 CB PRO A 61 8.028 -3.782 13.704 1.00 0.00 C ATOM 600 CG PRO A 61 6.881 -2.797 13.882 1.00 0.00 C ATOM 601 CD PRO A 61 6.611 -2.311 12.461 1.00 0.00 C ATOM 0 HA PRO A 61 9.703 -2.537 13.014 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.669 -4.766 13.404 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.589 -3.916 14.629 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.004 -3.276 14.317 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.156 -1.975 14.543 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.914 -2.968 11.941 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.172 -1.313 12.458 1.00 0.00 H new ATOM 602 N ASN A 62 10.823 -4.457 12.012 1.00 0.00 N ATOM 603 CA ASN A 62 11.688 -5.442 11.323 1.00 0.00 C ATOM 604 C ASN A 62 11.917 -5.148 9.822 1.00 0.00 C ATOM 605 O ASN A 62 13.018 -4.753 9.449 1.00 0.00 O ATOM 606 CB ASN A 62 11.244 -6.890 11.579 1.00 0.00 C ATOM 607 CG ASN A 62 11.455 -7.255 13.050 1.00 0.00 C ATOM 608 OD1 ASN A 62 10.667 -6.940 13.930 1.00 0.00 O ATOM 609 ND2 ASN A 62 12.594 -7.838 13.350 1.00 0.00 N ATOM 0 H ASN A 62 11.320 -3.949 12.744 1.00 0.00 H new ATOM 0 HA ASN A 62 12.670 -5.324 11.781 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.193 -7.008 11.315 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.811 -7.570 10.943 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.827 -8.031 14.324 1.00 0.00 H new ATOM 0 HD22 ASN A 62 13.245 -8.097 12.609 1.00 0.00 H new ATOM 613 N MET A 63 10.865 -5.257 9.014 1.00 0.00 N ATOM 614 CA MET A 63 10.934 -4.982 7.573 1.00 0.00 C ATOM 615 C MET A 63 10.038 -3.770 7.260 1.00 0.00 C ATOM 616 O MET A 63 8.817 -3.835 7.393 1.00 0.00 O ATOM 617 CB MET A 63 10.529 -6.233 6.778 1.00 0.00 C ATOM 618 CG MET A 63 10.747 -6.029 5.277 1.00 0.00 C ATOM 619 SD MET A 63 10.170 -7.421 4.222 1.00 0.00 S ATOM 620 CE MET A 63 11.397 -8.654 4.585 1.00 0.00 C ATOM 0 H MET A 63 9.939 -5.538 9.336 1.00 0.00 H new ATOM 0 HA MET A 63 11.954 -4.737 7.275 1.00 0.00 H new ATOM 0 HB2 MET A 63 11.111 -7.089 7.120 1.00 0.00 H new ATOM 0 HB3 MET A 63 9.481 -6.464 6.968 1.00 0.00 H new ATOM 0 HG2 MET A 63 10.232 -5.119 4.969 1.00 0.00 H new ATOM 0 HG3 MET A 63 11.810 -5.870 5.096 1.00 0.00 H new ATOM 0 HE1 MET A 63 11.182 -9.560 4.018 1.00 0.00 H new ATOM 0 HE2 MET A 63 12.383 -8.279 4.309 1.00 0.00 H new ATOM 0 HE3 MET A 63 11.381 -8.881 5.651 1.00 0.00 H new ATOM 622 N ASP A 64 10.731 -2.643 7.186 1.00 0.00 N ATOM 623 CA ASP A 64 10.155 -1.312 6.892 1.00 0.00 C ATOM 624 C ASP A 64 9.473 -1.254 5.503 1.00 0.00 C ATOM 625 O ASP A 64 9.849 -2.018 4.615 1.00 0.00 O ATOM 626 CB ASP A 64 11.249 -0.235 7.007 1.00 0.00 C ATOM 627 CG ASP A 64 12.377 -0.432 5.996 1.00 0.00 C ATOM 628 OD1 ASP A 64 12.186 0.045 4.854 1.00 0.00 O ATOM 629 OD2 ASP A 64 13.325 -1.174 6.327 1.00 0.00 O ATOM 0 H ASP A 64 11.740 -2.614 7.331 1.00 0.00 H new ATOM 0 HA ASP A 64 9.375 -1.120 7.629 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.802 0.748 6.860 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.663 -0.250 8.015 1.00 0.00 H new ATOM 631 N GLY A 65 8.686 -0.202 5.291 1.00 0.00 N ATOM 632 CA GLY A 65 7.925 0.046 4.041 1.00 0.00 C ATOM 633 C GLY A 65 8.753 -0.081 2.760 1.00 0.00 C ATOM 634 O GLY A 65 8.469 -0.933 1.913 1.00 0.00 O ATOM 0 H GLY A 65 8.548 0.526 5.992 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.092 -0.656 3.992 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.496 1.047 4.084 1.00 0.00 H new ATOM 636 N LEU A 66 9.835 0.686 2.696 1.00 0.00 N ATOM 637 CA LEU A 66 10.753 0.689 1.544 1.00 0.00 C ATOM 638 C LEU A 66 11.328 -0.704 1.248 1.00 0.00 C ATOM 639 O LEU A 66 11.285 -1.178 0.110 1.00 0.00 O ATOM 640 CB LEU A 66 11.827 1.736 1.859 1.00 0.00 C ATOM 641 CG LEU A 66 12.766 1.969 0.687 1.00 0.00 C ATOM 642 CD1 LEU A 66 12.056 2.537 -0.554 1.00 0.00 C ATOM 643 CD2 LEU A 66 13.870 2.957 1.072 1.00 0.00 C ATOM 0 H LEU A 66 10.109 1.328 3.440 1.00 0.00 H new ATOM 0 HA LEU A 66 10.230 0.950 0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.346 2.676 2.129 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.404 1.412 2.725 1.00 0.00 H new ATOM 0 HG LEU A 66 13.174 0.988 0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.782 2.680 -1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.285 1.840 -0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.597 3.494 -0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.533 3.112 0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.423 3.908 1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.442 2.556 1.909 1.00 0.00 H new ATOM 645 N GLU A 67 11.728 -1.422 2.300 1.00 0.00 N ATOM 646 CA GLU A 67 12.263 -2.794 2.204 1.00 0.00 C ATOM 647 C GLU A 67 11.189 -3.782 1.709 1.00 0.00 C ATOM 648 O GLU A 67 11.465 -4.586 0.821 1.00 0.00 O ATOM 649 CB GLU A 67 12.854 -3.182 3.554 1.00 0.00 C ATOM 650 CG GLU A 67 13.739 -4.425 3.467 1.00 0.00 C ATOM 651 CD GLU A 67 14.491 -4.653 4.776 1.00 0.00 C ATOM 652 OE1 GLU A 67 13.812 -4.777 5.818 1.00 0.00 O ATOM 653 OE2 GLU A 67 15.741 -4.638 4.714 1.00 0.00 O ATOM 0 H GLU A 67 11.692 -1.068 3.256 1.00 0.00 H new ATOM 0 HA GLU A 67 13.058 -2.834 1.459 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.439 -2.349 3.944 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.046 -3.364 4.263 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.126 -5.297 3.239 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.451 -4.313 2.649 1.00 0.00 H new ATOM 655 N LEU A 68 9.960 -3.637 2.220 1.00 0.00 N ATOM 656 CA LEU A 68 8.787 -4.444 1.815 1.00 0.00 C ATOM 657 C LEU A 68 8.545 -4.308 0.305 1.00 0.00 C ATOM 658 O LEU A 68 8.470 -5.300 -0.422 1.00 0.00 O ATOM 659 CB LEU A 68 7.579 -4.047 2.685 1.00 0.00 C ATOM 660 CG LEU A 68 6.187 -4.624 2.329 1.00 0.00 C ATOM 661 CD1 LEU A 68 5.458 -3.704 1.348 1.00 0.00 C ATOM 662 CD2 LEU A 68 6.201 -6.105 1.964 1.00 0.00 C ATOM 0 H LEU A 68 9.742 -2.946 2.938 1.00 0.00 H new ATOM 0 HA LEU A 68 8.965 -5.505 1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.803 -4.333 3.713 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.501 -2.960 2.667 1.00 0.00 H new ATOM 0 HG LEU A 68 5.584 -4.628 3.237 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.482 -4.126 1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.327 -2.721 1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.045 -3.608 0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.188 -6.431 1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.843 -6.260 1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.582 -6.684 2.806 1.00 0.00 H new ATOM 664 N LEU A 69 8.588 -3.060 -0.160 1.00 0.00 N ATOM 665 CA LEU A 69 8.467 -2.674 -1.571 1.00 0.00 C ATOM 666 C LEU A 69 9.513 -3.411 -2.430 1.00 0.00 C ATOM 667 O LEU A 69 9.129 -4.192 -3.307 1.00 0.00 O ATOM 668 CB LEU A 69 8.602 -1.145 -1.566 1.00 0.00 C ATOM 669 CG LEU A 69 8.902 -0.480 -2.909 1.00 0.00 C ATOM 670 CD1 LEU A 69 7.810 -0.720 -3.946 1.00 0.00 C ATOM 671 CD2 LEU A 69 9.098 1.020 -2.674 1.00 0.00 C ATOM 0 H LEU A 69 8.713 -2.257 0.457 1.00 0.00 H new ATOM 0 HA LEU A 69 7.518 -2.959 -2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.676 -0.723 -1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.394 -0.875 -0.868 1.00 0.00 H new ATOM 0 HG LEU A 69 9.809 -0.928 -3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.079 -0.224 -4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.704 -1.791 -4.122 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.866 -0.317 -3.580 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.313 1.512 -3.623 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.190 1.443 -2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.931 1.175 -1.988 1.00 0.00 H new ATOM 673 N LYS A 70 10.764 -3.403 -1.972 1.00 0.00 N ATOM 674 CA LYS A 70 11.881 -4.099 -2.651 1.00 0.00 C ATOM 675 C LYS A 70 11.635 -5.619 -2.766 1.00 0.00 C ATOM 676 O LYS A 70 11.712 -6.173 -3.854 1.00 0.00 O ATOM 677 CB LYS A 70 13.213 -3.891 -1.924 1.00 0.00 C ATOM 678 CG LYS A 70 13.618 -2.422 -1.810 1.00 0.00 C ATOM 679 CD LYS A 70 14.929 -2.314 -1.042 1.00 0.00 C ATOM 680 CE LYS A 70 15.205 -0.864 -0.637 1.00 0.00 C ATOM 681 NZ LYS A 70 16.506 -0.796 0.050 1.00 0.00 N ATOM 0 H LYS A 70 11.043 -2.916 -1.120 1.00 0.00 H new ATOM 0 HA LYS A 70 11.932 -3.660 -3.647 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.144 -4.320 -0.924 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.996 -4.436 -2.451 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.729 -1.986 -2.803 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.838 -1.857 -1.300 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.887 -2.943 -0.153 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.748 -2.686 -1.658 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.211 -0.222 -1.518 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.414 -0.499 0.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.701 0.187 0.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.483 -1.398 0.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.255 -1.129 -0.591 1.00 0.00 H new ATOM 686 N THR A 71 11.225 -6.224 -1.643 1.00 0.00 N ATOM 687 CA THR A 71 10.900 -7.682 -1.548 1.00 0.00 C ATOM 688 C THR A 71 9.807 -8.112 -2.545 1.00 0.00 C ATOM 689 O THR A 71 9.853 -9.234 -3.051 1.00 0.00 O ATOM 690 CB THR A 71 10.701 -8.137 -0.116 1.00 0.00 C ATOM 691 OG1 THR A 71 9.865 -7.272 0.652 1.00 0.00 O ATOM 692 CG2 THR A 71 12.052 -8.319 0.572 1.00 0.00 C ATOM 0 H THR A 71 11.104 -5.726 -0.761 1.00 0.00 H new ATOM 0 HA THR A 71 11.778 -8.238 -1.878 1.00 0.00 H new ATOM 0 HB THR A 71 10.179 -9.092 -0.169 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.256 -6.790 0.054 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.896 -8.646 1.600 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.635 -9.069 0.037 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.592 -7.372 0.571 1.00 0.00 H new ATOM 695 N ILE A 72 8.910 -7.180 -2.886 1.00 0.00 N ATOM 696 CA ILE A 72 7.828 -7.390 -3.874 1.00 0.00 C ATOM 697 C ILE A 72 8.406 -7.206 -5.296 1.00 0.00 C ATOM 698 O ILE A 72 8.492 -8.169 -6.052 1.00 0.00 O ATOM 699 CB ILE A 72 6.651 -6.415 -3.615 1.00 0.00 C ATOM 700 CG1 ILE A 72 6.083 -6.588 -2.204 1.00 0.00 C ATOM 701 CG2 ILE A 72 5.539 -6.595 -4.663 1.00 0.00 C ATOM 702 CD1 ILE A 72 5.288 -5.374 -1.727 1.00 0.00 C ATOM 0 H ILE A 72 8.909 -6.243 -2.482 1.00 0.00 H new ATOM 0 HA ILE A 72 7.435 -8.402 -3.777 1.00 0.00 H new ATOM 0 HB ILE A 72 7.045 -5.403 -3.702 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.440 -7.468 -2.183 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.902 -6.775 -1.509 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.727 -5.898 -4.455 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.941 -6.399 -5.657 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.160 -7.616 -4.620 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.912 -5.558 -0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.934 -4.496 -1.718 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.450 -5.200 -2.402 1.00 0.00 H new ATOM 704 N ARG A 73 8.970 -6.019 -5.540 1.00 0.00 N ATOM 705 CA ARG A 73 9.599 -5.586 -6.813 1.00 0.00 C ATOM 706 C ARG A 73 10.585 -6.631 -7.381 1.00 0.00 C ATOM 707 O ARG A 73 10.482 -7.004 -8.550 1.00 0.00 O ATOM 708 CB ARG A 73 10.244 -4.207 -6.678 1.00 0.00 C ATOM 709 CG ARG A 73 9.178 -3.113 -6.530 1.00 0.00 C ATOM 710 CD ARG A 73 8.266 -3.014 -7.759 1.00 0.00 C ATOM 711 NE ARG A 73 7.170 -2.070 -7.501 1.00 0.00 N ATOM 712 CZ ARG A 73 5.980 -2.344 -6.968 1.00 0.00 C ATOM 713 NH1 ARG A 73 5.576 -3.572 -6.693 1.00 0.00 N ATOM 714 NH2 ARG A 73 5.113 -1.350 -6.820 1.00 0.00 N ATOM 0 H ARG A 73 9.007 -5.291 -4.827 1.00 0.00 H new ATOM 0 HA ARG A 73 8.795 -5.503 -7.544 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.906 -4.194 -5.812 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.861 -4.003 -7.553 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.572 -3.317 -5.647 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.667 -2.153 -6.366 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.843 -2.686 -8.624 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.861 -3.997 -8.001 1.00 0.00 H new ATOM 0 HE ARG A 73 7.339 -1.098 -7.758 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.186 -4.366 -6.889 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.654 -3.726 -6.285 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.365 -0.406 -7.111 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.194 -1.531 -6.415 1.00 0.00 H new ATOM 721 N ALA A 74 11.465 -7.131 -6.511 1.00 0.00 N ATOM 722 CA ALA A 74 12.491 -8.145 -6.839 1.00 0.00 C ATOM 723 C ALA A 74 11.945 -9.574 -7.083 1.00 0.00 C ATOM 724 O ALA A 74 12.552 -10.369 -7.802 1.00 0.00 O ATOM 725 CB ALA A 74 13.532 -8.175 -5.721 1.00 0.00 C ATOM 0 H ALA A 74 11.491 -6.841 -5.534 1.00 0.00 H new ATOM 0 HA ALA A 74 12.927 -7.838 -7.790 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.294 -8.920 -5.953 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.999 -7.194 -5.632 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.047 -8.433 -4.779 1.00 0.00 H new ATOM 727 N ASP A 75 10.785 -9.868 -6.500 1.00 0.00 N ATOM 728 CA ASP A 75 10.141 -11.187 -6.625 1.00 0.00 C ATOM 729 C ASP A 75 9.319 -11.238 -7.924 1.00 0.00 C ATOM 730 O ASP A 75 8.180 -10.775 -7.943 1.00 0.00 O ATOM 731 CB ASP A 75 9.272 -11.420 -5.373 1.00 0.00 C ATOM 732 CG ASP A 75 8.528 -12.767 -5.317 1.00 0.00 C ATOM 733 OD1 ASP A 75 7.974 -13.179 -6.365 1.00 0.00 O ATOM 734 OD2 ASP A 75 8.527 -13.373 -4.225 1.00 0.00 O ATOM 0 H ASP A 75 10.261 -9.206 -5.928 1.00 0.00 H new ATOM 0 HA ASP A 75 10.882 -11.984 -6.684 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.909 -11.341 -4.492 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.537 -10.617 -5.309 1.00 0.00 H new ATOM 736 N GLY A 76 9.935 -11.794 -8.963 1.00 0.00 N ATOM 737 CA GLY A 76 9.362 -11.996 -10.321 1.00 0.00 C ATOM 738 C GLY A 76 7.832 -11.922 -10.439 1.00 0.00 C ATOM 739 O GLY A 76 7.285 -10.932 -10.921 1.00 0.00 O ATOM 0 H GLY A 76 10.893 -12.137 -8.894 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.792 -11.248 -10.987 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.685 -12.971 -10.686 1.00 0.00 H new ATOM 741 N ALA A 77 7.160 -12.928 -9.875 1.00 0.00 N ATOM 742 CA ALA A 77 5.679 -13.033 -9.892 1.00 0.00 C ATOM 743 C ALA A 77 4.934 -11.868 -9.215 1.00 0.00 C ATOM 744 O ALA A 77 4.045 -11.267 -9.805 1.00 0.00 O ATOM 745 CB ALA A 77 5.276 -14.369 -9.257 1.00 0.00 C ATOM 0 H ALA A 77 7.618 -13.700 -9.390 1.00 0.00 H new ATOM 0 HA ALA A 77 5.376 -12.980 -10.938 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.190 -14.461 -9.262 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.712 -15.189 -9.827 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.639 -14.408 -8.230 1.00 0.00 H new ATOM 747 N MET A 78 5.428 -11.476 -8.037 1.00 0.00 N ATOM 748 CA MET A 78 4.882 -10.381 -7.199 1.00 0.00 C ATOM 749 C MET A 78 5.187 -8.944 -7.685 1.00 0.00 C ATOM 750 O MET A 78 4.480 -8.010 -7.317 1.00 0.00 O ATOM 751 CB MET A 78 5.424 -10.508 -5.780 1.00 0.00 C ATOM 752 CG MET A 78 4.931 -11.744 -5.035 1.00 0.00 C ATOM 753 SD MET A 78 5.683 -11.891 -3.376 1.00 0.00 S ATOM 754 CE MET A 78 4.899 -10.536 -2.529 1.00 0.00 C ATOM 0 H MET A 78 6.245 -11.920 -7.618 1.00 0.00 H new ATOM 0 HA MET A 78 3.801 -10.507 -7.260 1.00 0.00 H new ATOM 0 HB2 MET A 78 6.513 -10.530 -5.819 1.00 0.00 H new ATOM 0 HB3 MET A 78 5.143 -9.620 -5.214 1.00 0.00 H new ATOM 0 HG2 MET A 78 3.846 -11.700 -4.938 1.00 0.00 H new ATOM 0 HG3 MET A 78 5.163 -12.635 -5.618 1.00 0.00 H new ATOM 0 HE1 MET A 78 5.644 -9.777 -2.289 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.131 -10.102 -3.170 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.441 -10.898 -1.609 1.00 0.00 H new ATOM 756 N SER A 79 6.246 -8.800 -8.487 1.00 0.00 N ATOM 757 CA SER A 79 6.759 -7.523 -9.042 1.00 0.00 C ATOM 758 C SER A 79 5.722 -6.471 -9.474 1.00 0.00 C ATOM 759 O SER A 79 5.866 -5.301 -9.138 1.00 0.00 O ATOM 760 CB SER A 79 7.696 -7.841 -10.212 1.00 0.00 C ATOM 761 OG SER A 79 8.530 -6.724 -10.517 1.00 0.00 O ATOM 0 H SER A 79 6.801 -9.601 -8.787 1.00 0.00 H new ATOM 0 HA SER A 79 7.268 -7.043 -8.206 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.314 -8.704 -9.964 1.00 0.00 H new ATOM 0 HB3 SER A 79 7.109 -8.112 -11.090 1.00 0.00 H new ATOM 0 HG SER A 79 9.280 -6.694 -9.887 1.00 0.00 H new ATOM 764 N ALA A 80 4.600 -6.940 -10.020 1.00 0.00 N ATOM 765 CA ALA A 80 3.492 -6.077 -10.512 1.00 0.00 C ATOM 766 C ALA A 80 2.475 -5.561 -9.462 1.00 0.00 C ATOM 767 O ALA A 80 1.597 -4.769 -9.813 1.00 0.00 O ATOM 768 CB ALA A 80 2.767 -6.829 -11.628 1.00 0.00 C ATOM 0 H ALA A 80 4.420 -7.937 -10.141 1.00 0.00 H new ATOM 0 HA ALA A 80 3.971 -5.160 -10.857 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.948 -6.217 -12.007 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.466 -7.042 -12.437 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.369 -7.765 -11.237 1.00 0.00 H new ATOM 770 N LEU A 81 2.626 -5.947 -8.191 1.00 0.00 N ATOM 771 CA LEU A 81 1.699 -5.520 -7.111 1.00 0.00 C ATOM 772 C LEU A 81 1.814 -4.019 -6.766 1.00 0.00 C ATOM 773 O LEU A 81 2.777 -3.630 -6.099 1.00 0.00 O ATOM 774 CB LEU A 81 1.878 -6.377 -5.848 1.00 0.00 C ATOM 775 CG LEU A 81 1.393 -7.816 -6.032 1.00 0.00 C ATOM 776 CD1 LEU A 81 1.832 -8.673 -4.840 1.00 0.00 C ATOM 777 CD2 LEU A 81 -0.128 -7.881 -6.210 1.00 0.00 C ATOM 0 H LEU A 81 3.380 -6.556 -7.873 1.00 0.00 H new ATOM 0 HA LEU A 81 0.694 -5.676 -7.504 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.931 -6.387 -5.568 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.333 -5.918 -5.023 1.00 0.00 H new ATOM 0 HG LEU A 81 1.845 -8.210 -6.942 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.483 -9.696 -4.979 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.920 -8.668 -4.769 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.406 -8.266 -3.923 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.435 -8.919 -6.338 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.616 -7.464 -5.329 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.416 -7.306 -7.090 1.00 0.00 H new ATOM 779 N PRO A 82 0.797 -3.217 -7.097 1.00 0.00 N ATOM 780 CA PRO A 82 0.792 -1.756 -6.842 1.00 0.00 C ATOM 781 C PRO A 82 1.045 -1.392 -5.373 1.00 0.00 C ATOM 782 O PRO A 82 0.305 -1.797 -4.481 1.00 0.00 O ATOM 783 CB PRO A 82 -0.567 -1.273 -7.331 1.00 0.00 C ATOM 784 CG PRO A 82 -1.461 -2.500 -7.276 1.00 0.00 C ATOM 785 CD PRO A 82 -0.516 -3.654 -7.623 1.00 0.00 C ATOM 0 HA PRO A 82 1.612 -1.268 -7.368 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -0.953 -0.474 -6.698 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.504 -0.875 -8.344 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.904 -2.629 -6.288 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.284 -2.428 -7.988 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.840 -4.587 -7.161 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.477 -3.827 -8.698 1.00 0.00 H new ATOM 786 N VAL A 83 2.068 -0.565 -5.188 1.00 0.00 N ATOM 787 CA VAL A 83 2.512 -0.132 -3.850 1.00 0.00 C ATOM 788 C VAL A 83 2.288 1.370 -3.554 1.00 0.00 C ATOM 789 O VAL A 83 2.950 2.256 -4.098 1.00 0.00 O ATOM 790 CB VAL A 83 3.971 -0.546 -3.591 1.00 0.00 C ATOM 791 CG1 VAL A 83 4.495 -0.103 -2.213 1.00 0.00 C ATOM 792 CG2 VAL A 83 4.146 -2.067 -3.646 1.00 0.00 C ATOM 0 H VAL A 83 2.617 -0.172 -5.952 1.00 0.00 H new ATOM 0 HA VAL A 83 1.866 -0.657 -3.146 1.00 0.00 H new ATOM 0 HB VAL A 83 4.535 -0.048 -4.380 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.529 -0.427 -2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.444 0.983 -2.136 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.883 -0.551 -1.430 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.189 -2.320 -3.458 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.517 -2.533 -2.887 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.856 -2.431 -4.632 1.00 0.00 H new ATOM 794 N LEU A 84 1.480 1.556 -2.514 1.00 0.00 N ATOM 795 CA LEU A 84 1.135 2.869 -1.948 1.00 0.00 C ATOM 796 C LEU A 84 1.828 2.991 -0.589 1.00 0.00 C ATOM 797 O LEU A 84 1.497 2.296 0.374 1.00 0.00 O ATOM 798 CB LEU A 84 -0.384 2.995 -1.806 1.00 0.00 C ATOM 799 CG LEU A 84 -0.879 4.298 -1.159 1.00 0.00 C ATOM 800 CD1 LEU A 84 -0.526 5.524 -2.004 1.00 0.00 C ATOM 801 CD2 LEU A 84 -2.399 4.254 -1.007 1.00 0.00 C ATOM 0 H LEU A 84 1.032 0.781 -2.024 1.00 0.00 H new ATOM 0 HA LEU A 84 1.470 3.673 -2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.833 2.907 -2.795 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.748 2.155 -1.215 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.389 4.382 -0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.894 6.424 -1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.556 5.589 -2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.989 5.434 -2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.746 5.180 -0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.860 4.141 -1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.677 3.410 -0.376 1.00 0.00 H new ATOM 803 N MET A 85 2.930 3.728 -0.623 1.00 0.00 N ATOM 804 CA MET A 85 3.763 3.979 0.565 1.00 0.00 C ATOM 805 C MET A 85 3.118 5.014 1.492 1.00 0.00 C ATOM 806 O MET A 85 3.001 6.193 1.168 1.00 0.00 O ATOM 807 CB MET A 85 5.164 4.433 0.131 1.00 0.00 C ATOM 808 CG MET A 85 6.049 3.298 -0.387 1.00 0.00 C ATOM 809 SD MET A 85 6.868 2.340 0.945 1.00 0.00 S ATOM 810 CE MET A 85 5.883 0.853 0.942 1.00 0.00 C ATOM 0 H MET A 85 3.279 4.173 -1.472 1.00 0.00 H new ATOM 0 HA MET A 85 3.849 3.049 1.127 1.00 0.00 H new ATOM 0 HB2 MET A 85 5.065 5.189 -0.648 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.659 4.910 0.977 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.443 2.622 -0.989 1.00 0.00 H new ATOM 0 HG3 MET A 85 6.812 3.714 -1.045 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.020 0.324 1.885 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.831 1.113 0.821 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.195 0.212 0.118 1.00 0.00 H new ATOM 812 N VAL A 86 2.558 4.520 2.595 1.00 0.00 N ATOM 813 CA VAL A 86 1.912 5.395 3.593 1.00 0.00 C ATOM 814 C VAL A 86 3.035 5.904 4.499 1.00 0.00 C ATOM 815 O VAL A 86 3.555 5.215 5.381 1.00 0.00 O ATOM 816 CB VAL A 86 0.821 4.741 4.447 1.00 0.00 C ATOM 817 CG1 VAL A 86 -0.114 5.846 4.935 1.00 0.00 C ATOM 818 CG2 VAL A 86 -0.023 3.702 3.702 1.00 0.00 C ATOM 0 H VAL A 86 2.534 3.527 2.826 1.00 0.00 H new ATOM 0 HA VAL A 86 1.386 6.181 3.051 1.00 0.00 H new ATOM 0 HB VAL A 86 1.325 4.213 5.257 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.904 5.410 5.547 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.451 6.565 5.529 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.558 6.352 4.078 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.771 3.288 4.378 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.521 4.176 2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.622 2.901 3.340 1.00 0.00 H new ATOM 820 N THR A 87 3.449 7.112 4.175 1.00 0.00 N ATOM 821 CA THR A 87 4.572 7.780 4.851 1.00 0.00 C ATOM 822 C THR A 87 4.117 8.616 6.049 1.00 0.00 C ATOM 823 O THR A 87 3.230 9.468 5.937 1.00 0.00 O ATOM 824 CB THR A 87 5.374 8.664 3.876 1.00 0.00 C ATOM 825 OG1 THR A 87 4.597 9.826 3.554 1.00 0.00 O ATOM 826 CG2 THR A 87 5.729 7.949 2.568 1.00 0.00 C ATOM 0 H THR A 87 3.023 7.670 3.435 1.00 0.00 H new ATOM 0 HA THR A 87 5.218 6.984 5.221 1.00 0.00 H new ATOM 0 HB THR A 87 6.307 8.923 4.377 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.895 9.947 4.227 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.293 8.625 1.925 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.333 7.068 2.787 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.814 7.644 2.060 1.00 0.00 H new ATOM 829 N ALA A 88 4.828 8.417 7.158 1.00 0.00 N ATOM 830 CA ALA A 88 4.583 9.152 8.426 1.00 0.00 C ATOM 831 C ALA A 88 4.737 10.671 8.221 1.00 0.00 C ATOM 832 O ALA A 88 3.860 11.445 8.590 1.00 0.00 O ATOM 833 CB ALA A 88 5.543 8.633 9.506 1.00 0.00 C ATOM 0 H ALA A 88 5.593 7.745 7.216 1.00 0.00 H new ATOM 0 HA ALA A 88 3.558 8.975 8.752 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.367 9.170 10.438 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.373 7.568 9.663 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.572 8.792 9.185 1.00 0.00 H new ATOM 835 N GLU A 89 5.817 11.035 7.538 1.00 0.00 N ATOM 836 CA GLU A 89 6.162 12.423 7.183 1.00 0.00 C ATOM 837 C GLU A 89 6.879 12.376 5.832 1.00 0.00 C ATOM 838 O GLU A 89 7.887 11.682 5.682 1.00 0.00 O ATOM 839 CB GLU A 89 7.065 13.043 8.259 1.00 0.00 C ATOM 840 CG GLU A 89 7.160 14.563 8.094 1.00 0.00 C ATOM 841 CD GLU A 89 8.024 15.203 9.180 1.00 0.00 C ATOM 842 OE1 GLU A 89 7.487 15.439 10.281 1.00 0.00 O ATOM 843 OE2 GLU A 89 9.214 15.458 8.888 1.00 0.00 O ATOM 0 H GLU A 89 6.502 10.358 7.202 1.00 0.00 H new ATOM 0 HA GLU A 89 5.267 13.042 7.119 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.672 12.806 9.248 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.061 12.605 8.198 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.577 14.796 7.114 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.160 14.994 8.125 1.00 0.00 H new ATOM 845 N ALA A 90 6.240 12.975 4.831 1.00 0.00 N ATOM 846 CA ALA A 90 6.768 13.018 3.460 1.00 0.00 C ATOM 847 C ALA A 90 7.881 14.074 3.284 1.00 0.00 C ATOM 848 O ALA A 90 7.635 15.275 3.231 1.00 0.00 O ATOM 849 CB ALA A 90 5.627 13.239 2.461 1.00 0.00 C ATOM 0 H ALA A 90 5.342 13.446 4.942 1.00 0.00 H new ATOM 0 HA ALA A 90 7.231 12.052 3.258 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.030 13.269 1.449 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.910 12.422 2.542 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.128 14.183 2.681 1.00 0.00 H new ATOM 851 N LYS A 91 9.099 13.560 3.344 1.00 0.00 N ATOM 852 CA LYS A 91 10.342 14.346 3.190 1.00 0.00 C ATOM 853 C LYS A 91 11.058 13.889 1.910 1.00 0.00 C ATOM 854 O LYS A 91 11.124 12.688 1.634 1.00 0.00 O ATOM 855 CB LYS A 91 11.283 14.126 4.379 1.00 0.00 C ATOM 856 CG LYS A 91 10.717 14.653 5.698 1.00 0.00 C ATOM 857 CD LYS A 91 11.728 14.593 6.847 1.00 0.00 C ATOM 858 CE LYS A 91 12.842 15.639 6.711 1.00 0.00 C ATOM 859 NZ LYS A 91 13.693 15.630 7.910 1.00 0.00 N ATOM 0 H LYS A 91 9.269 12.567 3.504 1.00 0.00 H new ATOM 0 HA LYS A 91 10.082 15.403 3.139 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.489 13.060 4.479 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.235 14.617 4.177 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.391 15.684 5.561 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.834 14.072 5.967 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.207 14.744 7.792 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.172 13.598 6.883 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.444 15.428 5.827 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.407 16.629 6.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.444 16.342 7.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.117 15.853 8.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.121 14.689 8.025 1.00 0.00 H new ATOM 864 N LYS A 92 11.650 14.845 1.206 1.00 0.00 N ATOM 865 CA LYS A 92 12.397 14.598 -0.055 1.00 0.00 C ATOM 866 C LYS A 92 13.243 13.315 -0.112 1.00 0.00 C ATOM 867 O LYS A 92 12.999 12.483 -0.978 1.00 0.00 O ATOM 868 CB LYS A 92 13.181 15.824 -0.570 1.00 0.00 C ATOM 869 CG LYS A 92 13.786 16.775 0.466 1.00 0.00 C ATOM 870 CD LYS A 92 14.855 16.155 1.376 1.00 0.00 C ATOM 871 CE LYS A 92 15.450 17.226 2.292 1.00 0.00 C ATOM 872 NZ LYS A 92 16.269 16.576 3.323 1.00 0.00 N ATOM 0 H LYS A 92 11.635 15.827 1.483 1.00 0.00 H new ATOM 0 HA LYS A 92 11.583 14.413 -0.755 1.00 0.00 H new ATOM 0 HB2 LYS A 92 13.990 15.461 -1.204 1.00 0.00 H new ATOM 0 HB3 LYS A 92 12.513 16.404 -1.207 1.00 0.00 H new ATOM 0 HG2 LYS A 92 14.225 17.625 -0.057 1.00 0.00 H new ATOM 0 HG3 LYS A 92 12.982 17.166 1.090 1.00 0.00 H new ATOM 0 HD2 LYS A 92 14.416 15.357 1.974 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.642 15.704 0.771 1.00 0.00 H new ATOM 0 HE2 LYS A 92 16.057 17.921 1.712 1.00 0.00 H new ATOM 0 HE3 LYS A 92 14.654 17.808 2.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 16.999 17.238 3.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 15.665 16.298 4.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 16.724 15.731 2.923 1.00 0.00 H new ATOM 877 N GLU A 93 13.994 13.046 0.958 1.00 0.00 N ATOM 878 CA GLU A 93 14.840 11.844 1.081 1.00 0.00 C ATOM 879 C GLU A 93 14.055 10.535 0.886 1.00 0.00 C ATOM 880 O GLU A 93 14.331 9.791 -0.052 1.00 0.00 O ATOM 881 CB GLU A 93 15.562 11.846 2.430 1.00 0.00 C ATOM 882 CG GLU A 93 17.082 11.760 2.267 1.00 0.00 C ATOM 883 CD GLU A 93 17.665 13.006 1.582 1.00 0.00 C ATOM 884 OE1 GLU A 93 17.549 14.088 2.199 1.00 0.00 O ATOM 885 OE2 GLU A 93 18.142 12.860 0.442 1.00 0.00 O ATOM 0 H GLU A 93 14.037 13.658 1.773 1.00 0.00 H new ATOM 0 HA GLU A 93 15.574 11.885 0.276 1.00 0.00 H new ATOM 0 HB2 GLU A 93 15.307 12.754 2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 93 15.213 11.005 3.029 1.00 0.00 H new ATOM 0 HG2 GLU A 93 17.544 11.637 3.246 1.00 0.00 H new ATOM 0 HG3 GLU A 93 17.333 10.875 1.682 1.00 0.00 H new ATOM 887 N ASN A 94 12.966 10.372 1.649 1.00 0.00 N ATOM 888 CA ASN A 94 12.132 9.154 1.544 1.00 0.00 C ATOM 889 C ASN A 94 11.419 9.072 0.185 1.00 0.00 C ATOM 890 O ASN A 94 11.255 7.981 -0.351 1.00 0.00 O ATOM 891 CB ASN A 94 11.163 9.001 2.736 1.00 0.00 C ATOM 892 CG ASN A 94 9.846 9.785 2.666 1.00 0.00 C ATOM 893 OD1 ASN A 94 9.700 10.868 3.202 1.00 0.00 O ATOM 894 ND2 ASN A 94 8.853 9.207 2.019 1.00 0.00 N ATOM 0 H ASN A 94 12.641 11.052 2.336 1.00 0.00 H new ATOM 0 HA ASN A 94 12.806 8.299 1.597 1.00 0.00 H new ATOM 0 HB2 ASN A 94 10.923 7.943 2.844 1.00 0.00 H new ATOM 0 HB3 ASN A 94 11.689 9.302 3.642 1.00 0.00 H new ATOM 0 HD21 ASN A 94 7.945 9.668 1.962 1.00 0.00 H new ATOM 0 HD22 ASN A 94 8.993 8.299 1.576 1.00 0.00 H new ATOM 898 N ILE A 95 10.972 10.222 -0.328 1.00 0.00 N ATOM 899 CA ILE A 95 10.301 10.330 -1.637 1.00 0.00 C ATOM 900 C ILE A 95 11.217 9.793 -2.757 1.00 0.00 C ATOM 901 O ILE A 95 10.843 8.842 -3.443 1.00 0.00 O ATOM 902 CB ILE A 95 9.835 11.790 -1.851 1.00 0.00 C ATOM 903 CG1 ILE A 95 8.798 12.168 -0.771 1.00 0.00 C ATOM 904 CG2 ILE A 95 9.264 12.018 -3.261 1.00 0.00 C ATOM 905 CD1 ILE A 95 8.553 13.669 -0.625 1.00 0.00 C ATOM 0 H ILE A 95 11.064 11.116 0.155 1.00 0.00 H new ATOM 0 HA ILE A 95 9.408 9.706 -1.665 1.00 0.00 H new ATOM 0 HB ILE A 95 10.707 12.437 -1.758 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.852 11.680 -1.007 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.131 11.772 0.188 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.951 13.057 -3.363 1.00 0.00 H new ATOM 0 HG22 ILE A 95 10.030 11.795 -4.004 1.00 0.00 H new ATOM 0 HG23 ILE A 95 8.406 11.363 -3.416 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.811 13.842 0.155 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.485 14.165 -0.356 1.00 0.00 H new ATOM 0 HD13 ILE A 95 8.187 14.072 -1.570 1.00 0.00 H new ATOM 907 N ILE A 96 12.459 10.289 -2.790 1.00 0.00 N ATOM 908 CA ILE A 96 13.486 9.862 -3.781 1.00 0.00 C ATOM 909 C ILE A 96 13.701 8.341 -3.666 1.00 0.00 C ATOM 910 O ILE A 96 13.467 7.609 -4.633 1.00 0.00 O ATOM 911 CB ILE A 96 14.799 10.648 -3.575 1.00 0.00 C ATOM 912 CG1 ILE A 96 14.564 12.159 -3.690 1.00 0.00 C ATOM 913 CG2 ILE A 96 15.856 10.221 -4.615 1.00 0.00 C ATOM 914 CD1 ILE A 96 15.627 13.007 -2.984 1.00 0.00 C ATOM 0 H ILE A 96 12.792 10.998 -2.136 1.00 0.00 H new ATOM 0 HA ILE A 96 13.139 10.084 -4.790 1.00 0.00 H new ATOM 0 HB ILE A 96 15.161 10.421 -2.572 1.00 0.00 H new ATOM 0 HG12 ILE A 96 14.536 12.433 -4.745 1.00 0.00 H new ATOM 0 HG13 ILE A 96 13.586 12.398 -3.272 1.00 0.00 H new ATOM 0 HG21 ILE A 96 16.774 10.786 -4.454 1.00 0.00 H new ATOM 0 HG22 ILE A 96 16.062 9.156 -4.508 1.00 0.00 H new ATOM 0 HG23 ILE A 96 15.480 10.419 -5.619 1.00 0.00 H new ATOM 0 HD11 ILE A 96 15.392 14.064 -3.110 1.00 0.00 H new ATOM 0 HD12 ILE A 96 15.641 12.763 -1.922 1.00 0.00 H new ATOM 0 HD13 ILE A 96 16.605 12.799 -3.417 1.00 0.00 H new ATOM 916 N ALA A 97 13.951 7.885 -2.435 1.00 0.00 N ATOM 917 CA ALA A 97 14.167 6.465 -2.110 1.00 0.00 C ATOM 918 C ALA A 97 13.013 5.547 -2.575 1.00 0.00 C ATOM 919 O ALA A 97 13.249 4.544 -3.242 1.00 0.00 O ATOM 920 CB ALA A 97 14.389 6.329 -0.600 1.00 0.00 C ATOM 0 H ALA A 97 14.011 8.498 -1.622 1.00 0.00 H new ATOM 0 HA ALA A 97 15.049 6.133 -2.657 1.00 0.00 H new ATOM 0 HB1 ALA A 97 14.550 5.281 -0.349 1.00 0.00 H new ATOM 0 HB2 ALA A 97 15.263 6.911 -0.307 1.00 0.00 H new ATOM 0 HB3 ALA A 97 13.512 6.699 -0.069 1.00 0.00 H new ATOM 922 N ALA A 98 11.775 5.992 -2.325 1.00 0.00 N ATOM 923 CA ALA A 98 10.542 5.275 -2.711 1.00 0.00 C ATOM 924 C ALA A 98 10.459 5.030 -4.230 1.00 0.00 C ATOM 925 O ALA A 98 10.284 3.889 -4.676 1.00 0.00 O ATOM 926 CB ALA A 98 9.335 6.061 -2.211 1.00 0.00 C ATOM 0 H ALA A 98 11.594 6.872 -1.842 1.00 0.00 H new ATOM 0 HA ALA A 98 10.555 4.289 -2.246 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.420 5.540 -2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.384 6.151 -1.126 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.338 7.055 -2.658 1.00 0.00 H new ATOM 928 N ALA A 99 10.721 6.097 -4.994 1.00 0.00 N ATOM 929 CA ALA A 99 10.729 6.062 -6.473 1.00 0.00 C ATOM 930 C ALA A 99 11.805 5.097 -6.992 1.00 0.00 C ATOM 931 O ALA A 99 11.490 4.175 -7.748 1.00 0.00 O ATOM 932 CB ALA A 99 10.963 7.479 -7.009 1.00 0.00 C ATOM 0 H ALA A 99 10.935 7.017 -4.608 1.00 0.00 H new ATOM 0 HA ALA A 99 9.765 5.698 -6.828 1.00 0.00 H new ATOM 0 HB1 ALA A 99 10.970 7.459 -8.099 1.00 0.00 H new ATOM 0 HB2 ALA A 99 10.165 8.135 -6.663 1.00 0.00 H new ATOM 0 HB3 ALA A 99 11.921 7.851 -6.647 1.00 0.00 H new ATOM 934 N GLN A 100 12.996 5.185 -6.394 1.00 0.00 N ATOM 935 CA GLN A 100 14.163 4.340 -6.723 1.00 0.00 C ATOM 936 C GLN A 100 13.928 2.831 -6.548 1.00 0.00 C ATOM 937 O GLN A 100 14.514 2.027 -7.266 1.00 0.00 O ATOM 938 CB GLN A 100 15.365 4.739 -5.856 1.00 0.00 C ATOM 939 CG GLN A 100 15.909 6.136 -6.162 1.00 0.00 C ATOM 940 CD GLN A 100 17.102 6.465 -5.265 1.00 0.00 C ATOM 941 OE1 GLN A 100 16.976 7.019 -4.177 1.00 0.00 O ATOM 942 NE2 GLN A 100 18.290 6.139 -5.716 1.00 0.00 N ATOM 0 H GLN A 100 13.187 5.857 -5.651 1.00 0.00 H new ATOM 0 HA GLN A 100 14.350 4.516 -7.782 1.00 0.00 H new ATOM 0 HB2 GLN A 100 15.075 4.694 -4.806 1.00 0.00 H new ATOM 0 HB3 GLN A 100 16.162 4.009 -5.998 1.00 0.00 H new ATOM 0 HG2 GLN A 100 16.209 6.193 -7.208 1.00 0.00 H new ATOM 0 HG3 GLN A 100 15.123 6.877 -6.015 1.00 0.00 H new ATOM 0 HE21 GLN A 100 18.383 5.679 -6.622 1.00 0.00 H new ATOM 0 HE22 GLN A 100 19.121 6.346 -5.161 1.00 0.00 H new ATOM 946 N ALA A 101 13.078 2.477 -5.585 1.00 0.00 N ATOM 947 CA ALA A 101 12.734 1.079 -5.260 1.00 0.00 C ATOM 948 C ALA A 101 11.491 0.461 -5.936 1.00 0.00 C ATOM 949 O ALA A 101 11.217 -0.717 -5.712 1.00 0.00 O ATOM 950 CB ALA A 101 12.656 0.945 -3.739 1.00 0.00 C ATOM 0 H ALA A 101 12.598 3.157 -4.996 1.00 0.00 H new ATOM 0 HA ALA A 101 13.538 0.486 -5.695 1.00 0.00 H new ATOM 0 HB1 ALA A 101 12.403 -0.082 -3.477 1.00 0.00 H new ATOM 0 HB2 ALA A 101 13.620 1.204 -3.301 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.890 1.618 -3.353 1.00 0.00 H new ATOM 952 N GLY A 102 10.722 1.251 -6.687 1.00 0.00 N ATOM 953 CA GLY A 102 9.519 0.763 -7.404 1.00 0.00 C ATOM 954 C GLY A 102 8.142 1.239 -6.923 1.00 0.00 C ATOM 955 O GLY A 102 7.140 0.840 -7.510 1.00 0.00 O ATOM 0 H GLY A 102 10.906 2.245 -6.822 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.620 1.044 -8.452 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.527 -0.326 -7.364 1.00 0.00 H new ATOM 957 N ALA A 103 8.076 2.143 -5.936 1.00 0.00 N ATOM 958 CA ALA A 103 6.789 2.659 -5.396 1.00 0.00 C ATOM 959 C ALA A 103 5.859 3.298 -6.427 1.00 0.00 C ATOM 960 O ALA A 103 6.162 4.315 -7.060 1.00 0.00 O ATOM 961 CB ALA A 103 7.024 3.642 -4.239 1.00 0.00 C ATOM 0 H ALA A 103 8.900 2.541 -5.486 1.00 0.00 H new ATOM 0 HA ALA A 103 6.275 1.766 -5.039 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.065 4.001 -3.866 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.559 3.137 -3.435 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.615 4.487 -4.594 1.00 0.00 H new ATOM 963 N SER A 104 4.667 2.702 -6.503 1.00 0.00 N ATOM 964 CA SER A 104 3.577 3.133 -7.412 1.00 0.00 C ATOM 965 C SER A 104 2.993 4.516 -7.056 1.00 0.00 C ATOM 966 O SER A 104 2.433 5.195 -7.907 1.00 0.00 O ATOM 967 CB SER A 104 2.444 2.107 -7.387 1.00 0.00 C ATOM 968 OG SER A 104 2.949 0.784 -7.584 1.00 0.00 O ATOM 0 H SER A 104 4.418 1.895 -5.931 1.00 0.00 H new ATOM 0 HA SER A 104 4.021 3.208 -8.405 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.919 2.162 -6.433 1.00 0.00 H new ATOM 0 HB3 SER A 104 1.717 2.343 -8.165 1.00 0.00 H new ATOM 0 HG SER A 104 2.670 0.455 -8.464 1.00 0.00 H new ATOM 971 N GLY A 105 3.026 4.830 -5.757 1.00 0.00 N ATOM 972 CA GLY A 105 2.531 6.104 -5.191 1.00 0.00 C ATOM 973 C GLY A 105 2.793 6.168 -3.681 1.00 0.00 C ATOM 974 O GLY A 105 3.201 5.178 -3.069 1.00 0.00 O ATOM 0 H GLY A 105 3.403 4.199 -5.050 1.00 0.00 H new ATOM 0 HA2 GLY A 105 3.022 6.942 -5.686 1.00 0.00 H new ATOM 0 HA3 GLY A 105 1.463 6.202 -5.384 1.00 0.00 H new ATOM 976 N TYR A 106 2.628 7.360 -3.125 1.00 0.00 N ATOM 977 CA TYR A 106 2.821 7.584 -1.676 1.00 0.00 C ATOM 978 C TYR A 106 1.796 8.570 -1.098 1.00 0.00 C ATOM 979 O TYR A 106 1.508 9.599 -1.711 1.00 0.00 O ATOM 980 CB TYR A 106 4.263 7.991 -1.330 1.00 0.00 C ATOM 981 CG TYR A 106 4.648 9.438 -1.655 1.00 0.00 C ATOM 982 CD1 TYR A 106 5.177 9.752 -2.927 1.00 0.00 C ATOM 983 CD2 TYR A 106 4.462 10.422 -0.658 1.00 0.00 C ATOM 984 CE1 TYR A 106 5.541 11.090 -3.202 1.00 0.00 C ATOM 985 CE2 TYR A 106 4.826 11.750 -0.933 1.00 0.00 C ATOM 986 CZ TYR A 106 5.355 12.064 -2.205 1.00 0.00 C ATOM 987 OH TYR A 106 5.719 13.352 -2.450 1.00 0.00 O ATOM 0 H TYR A 106 2.361 8.196 -3.645 1.00 0.00 H new ATOM 0 HA TYR A 106 2.643 6.622 -1.194 1.00 0.00 H new ATOM 0 HB2 TYR A 106 4.421 7.824 -0.264 1.00 0.00 H new ATOM 0 HB3 TYR A 106 4.945 7.326 -1.861 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.301 8.984 -3.676 1.00 0.00 H new ATOM 0 HD2 TYR A 106 4.046 10.156 0.302 1.00 0.00 H new ATOM 0 HE1 TYR A 106 5.955 11.360 -4.162 1.00 0.00 H new ATOM 0 HE2 TYR A 106 4.704 12.519 -0.184 1.00 0.00 H new ATOM 0 HH TYR A 106 5.525 13.902 -1.662 1.00 0.00 H new ATOM 990 N VAL A 107 1.286 8.225 0.084 1.00 0.00 N ATOM 991 CA VAL A 107 0.310 9.061 0.813 1.00 0.00 C ATOM 992 C VAL A 107 0.773 9.354 2.241 1.00 0.00 C ATOM 993 O VAL A 107 1.272 8.475 2.944 1.00 0.00 O ATOM 994 CB VAL A 107 -1.112 8.485 0.687 1.00 0.00 C ATOM 995 CG1 VAL A 107 -1.444 7.330 1.642 1.00 0.00 C ATOM 996 CG2 VAL A 107 -2.138 9.610 0.885 1.00 0.00 C ATOM 0 H VAL A 107 1.532 7.362 0.569 1.00 0.00 H new ATOM 0 HA VAL A 107 0.258 10.043 0.343 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.159 8.059 -0.315 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.468 6.999 1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -0.760 6.501 1.462 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.340 7.669 2.673 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.145 9.203 0.796 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.010 10.049 1.874 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.988 10.377 0.125 1.00 0.00 H new ATOM 998 N VAL A 108 0.798 10.635 2.567 1.00 0.00 N ATOM 999 CA VAL A 108 1.182 11.099 3.915 1.00 0.00 C ATOM 1000 C VAL A 108 -0.046 11.166 4.837 1.00 0.00 C ATOM 1001 O VAL A 108 -1.136 11.558 4.417 1.00 0.00 O ATOM 1002 CB VAL A 108 1.986 12.416 3.829 1.00 0.00 C ATOM 1003 CG1 VAL A 108 1.179 13.607 3.307 1.00 0.00 C ATOM 1004 CG2 VAL A 108 2.629 12.758 5.177 1.00 0.00 C ATOM 0 H VAL A 108 0.557 11.387 1.921 1.00 0.00 H new ATOM 0 HA VAL A 108 1.854 10.374 4.375 1.00 0.00 H new ATOM 0 HB VAL A 108 2.766 12.231 3.091 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.815 14.492 3.277 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.814 13.388 2.303 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.332 13.791 3.968 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.188 13.689 5.087 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.852 12.873 5.932 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.305 11.955 5.472 1.00 0.00 H new ATOM 1006 N LYS A 109 0.144 10.669 6.048 1.00 0.00 N ATOM 1007 CA LYS A 109 -0.915 10.666 7.070 1.00 0.00 C ATOM 1008 C LYS A 109 -0.859 11.909 7.976 1.00 0.00 C ATOM 1009 O LYS A 109 0.253 12.346 8.282 1.00 0.00 O ATOM 1010 CB LYS A 109 -0.928 9.319 7.814 1.00 0.00 C ATOM 1011 CG LYS A 109 0.392 8.866 8.434 1.00 0.00 C ATOM 1012 CD LYS A 109 0.297 7.347 8.529 1.00 0.00 C ATOM 1013 CE LYS A 109 1.496 6.705 9.209 1.00 0.00 C ATOM 1014 NZ LYS A 109 1.360 5.265 9.014 1.00 0.00 N ATOM 0 H LYS A 109 1.024 10.258 6.358 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.885 10.751 6.580 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.675 9.375 8.606 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.259 8.549 7.118 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.239 9.169 7.818 1.00 0.00 H new ATOM 0 HG3 LYS A 109 0.537 9.312 9.418 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -0.607 7.081 9.077 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.194 6.934 7.526 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.428 7.069 8.777 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.519 6.952 10.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 1.963 4.764 9.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 0.368 4.987 9.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 1.652 5.016 8.047 1.00 0.00 H new ATOM 1019 N PRO A 110 -2.016 12.464 8.376 1.00 0.00 N ATOM 1020 CA PRO A 110 -3.389 12.008 8.059 1.00 0.00 C ATOM 1021 C PRO A 110 -3.880 12.255 6.629 1.00 0.00 C ATOM 1022 O PRO A 110 -3.857 13.363 6.096 1.00 0.00 O ATOM 1023 CB PRO A 110 -4.275 12.704 9.088 1.00 0.00 C ATOM 1024 CG PRO A 110 -3.540 14.023 9.343 1.00 0.00 C ATOM 1025 CD PRO A 110 -2.061 13.627 9.282 1.00 0.00 C ATOM 0 HA PRO A 110 -3.419 10.920 8.112 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.282 12.871 8.706 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.374 12.115 10.000 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -3.786 14.772 8.590 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -3.802 14.447 10.312 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -1.448 14.446 8.905 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.679 13.373 10.271 1.00 0.00 H new ATOM 1026 N PHE A 111 -4.395 11.164 6.064 1.00 0.00 N ATOM 1027 CA PHE A 111 -4.967 11.112 4.715 1.00 0.00 C ATOM 1028 C PHE A 111 -6.438 10.667 4.839 1.00 0.00 C ATOM 1029 O PHE A 111 -6.750 9.761 5.602 1.00 0.00 O ATOM 1030 CB PHE A 111 -4.151 10.196 3.797 1.00 0.00 C ATOM 1031 CG PHE A 111 -4.206 8.697 4.112 1.00 0.00 C ATOM 1032 CD1 PHE A 111 -3.426 8.168 5.162 1.00 0.00 C ATOM 1033 CD2 PHE A 111 -5.040 7.867 3.326 1.00 0.00 C ATOM 1034 CE1 PHE A 111 -3.520 6.789 5.467 1.00 0.00 C ATOM 1035 CE2 PHE A 111 -5.114 6.489 3.610 1.00 0.00 C ATOM 1036 CZ PHE A 111 -4.364 5.970 4.691 1.00 0.00 C ATOM 0 H PHE A 111 -4.428 10.265 6.544 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.931 12.097 4.250 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.495 10.343 2.773 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -3.109 10.515 3.833 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -2.765 8.808 5.727 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -5.616 8.287 2.514 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.952 6.370 6.284 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.734 5.839 3.011 1.00 0.00 H new ATOM 0 HZ PHE A 111 -4.440 4.919 4.928 1.00 0.00 H new ATOM 1038 N THR A 112 -7.307 11.297 4.048 1.00 0.00 N ATOM 1039 CA THR A 112 -8.758 11.012 4.071 1.00 0.00 C ATOM 1040 C THR A 112 -9.143 10.040 2.945 1.00 0.00 C ATOM 1041 O THR A 112 -8.316 9.724 2.085 1.00 0.00 O ATOM 1042 CB THR A 112 -9.604 12.285 3.898 1.00 0.00 C ATOM 1043 OG1 THR A 112 -9.435 12.810 2.576 1.00 0.00 O ATOM 1044 CG2 THR A 112 -9.319 13.337 4.974 1.00 0.00 C ATOM 0 H THR A 112 -7.037 12.015 3.376 1.00 0.00 H new ATOM 0 HA THR A 112 -8.963 10.572 5.047 1.00 0.00 H new ATOM 0 HB THR A 112 -10.650 12.008 4.030 1.00 0.00 H new ATOM 0 HG1 THR A 112 -8.479 12.882 2.372 1.00 0.00 H new ATOM 0 HG21 THR A 112 -9.944 14.213 4.801 1.00 0.00 H new ATOM 0 HG22 THR A 112 -9.540 12.921 5.957 1.00 0.00 H new ATOM 0 HG23 THR A 112 -8.269 13.627 4.931 1.00 0.00 H new ATOM 1047 N ALA A 113 -10.415 9.624 2.928 1.00 0.00 N ATOM 1048 CA ALA A 113 -10.949 8.762 1.852 1.00 0.00 C ATOM 1049 C ALA A 113 -10.739 9.397 0.470 1.00 0.00 C ATOM 1050 O ALA A 113 -10.273 8.722 -0.449 1.00 0.00 O ATOM 1051 CB ALA A 113 -12.440 8.498 2.095 1.00 0.00 C ATOM 0 H ALA A 113 -11.099 9.867 3.645 1.00 0.00 H new ATOM 0 HA ALA A 113 -10.406 7.817 1.868 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -12.831 7.862 1.301 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -12.569 7.999 3.056 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -12.981 9.444 2.102 1.00 0.00 H new ATOM 1053 N ALA A 114 -10.865 10.727 0.415 1.00 0.00 N ATOM 1054 CA ALA A 114 -10.654 11.532 -0.808 1.00 0.00 C ATOM 1055 C ALA A 114 -9.185 11.506 -1.250 1.00 0.00 C ATOM 1056 O ALA A 114 -8.888 11.151 -2.389 1.00 0.00 O ATOM 1057 CB ALA A 114 -11.119 12.965 -0.552 1.00 0.00 C ATOM 0 H ALA A 114 -11.120 11.289 1.227 1.00 0.00 H new ATOM 0 HA ALA A 114 -11.240 11.100 -1.619 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -10.966 13.563 -1.450 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -12.178 12.963 -0.293 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -10.545 13.392 0.271 1.00 0.00 H new ATOM 1059 N THR A 115 -8.273 11.726 -0.292 1.00 0.00 N ATOM 1060 CA THR A 115 -6.813 11.680 -0.534 1.00 0.00 C ATOM 1061 C THR A 115 -6.419 10.287 -1.050 1.00 0.00 C ATOM 1062 O THR A 115 -5.811 10.172 -2.111 1.00 0.00 O ATOM 1063 CB THR A 115 -6.020 11.982 0.754 1.00 0.00 C ATOM 1064 OG1 THR A 115 -6.676 12.997 1.531 1.00 0.00 O ATOM 1065 CG2 THR A 115 -4.609 12.466 0.410 1.00 0.00 C ATOM 0 H THR A 115 -8.521 11.941 0.674 1.00 0.00 H new ATOM 0 HA THR A 115 -6.572 12.441 -1.276 1.00 0.00 H new ATOM 0 HB THR A 115 -5.965 11.060 1.333 1.00 0.00 H new ATOM 0 HG1 THR A 115 -6.034 13.399 2.153 1.00 0.00 H new ATOM 0 HG21 THR A 115 -4.062 12.675 1.329 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.087 11.694 -0.155 1.00 0.00 H new ATOM 0 HG23 THR A 115 -4.672 13.374 -0.189 1.00 0.00 H new ATOM 1068 N LEU A 116 -6.951 9.261 -0.376 1.00 0.00 N ATOM 1069 CA LEU A 116 -6.756 7.840 -0.722 1.00 0.00 C ATOM 1070 C LEU A 116 -7.210 7.576 -2.170 1.00 0.00 C ATOM 1071 O LEU A 116 -6.392 7.211 -3.000 1.00 0.00 O ATOM 1072 CB LEU A 116 -7.508 6.986 0.313 1.00 0.00 C ATOM 1073 CG LEU A 116 -7.323 5.474 0.157 1.00 0.00 C ATOM 1074 CD1 LEU A 116 -5.854 5.050 0.216 1.00 0.00 C ATOM 1075 CD2 LEU A 116 -8.104 4.771 1.271 1.00 0.00 C ATOM 0 H LEU A 116 -7.543 9.394 0.444 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.701 7.568 -0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.179 7.277 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.572 7.216 0.249 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.696 5.189 -0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.783 3.969 0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.302 5.538 -0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.430 5.341 1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -7.983 3.692 1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.725 5.094 2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -9.161 5.026 1.191 1.00 0.00 H new ATOM 1077 N GLU A 117 -8.439 7.999 -2.489 1.00 0.00 N ATOM 1078 CA GLU A 117 -9.051 7.877 -3.838 1.00 0.00 C ATOM 1079 C GLU A 117 -8.161 8.500 -4.932 1.00 0.00 C ATOM 1080 O GLU A 117 -7.875 7.856 -5.940 1.00 0.00 O ATOM 1081 CB GLU A 117 -10.449 8.522 -3.788 1.00 0.00 C ATOM 1082 CG GLU A 117 -11.271 8.450 -5.086 1.00 0.00 C ATOM 1083 CD GLU A 117 -10.919 9.536 -6.121 1.00 0.00 C ATOM 1084 OE1 GLU A 117 -10.455 10.625 -5.715 1.00 0.00 O ATOM 1085 OE2 GLU A 117 -11.182 9.282 -7.319 1.00 0.00 O ATOM 0 H GLU A 117 -9.056 8.446 -1.811 1.00 0.00 H new ATOM 0 HA GLU A 117 -9.146 6.825 -4.106 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -11.020 8.043 -2.993 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -10.334 9.570 -3.512 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -11.125 7.470 -5.541 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -12.329 8.531 -4.837 1.00 0.00 H new ATOM 1087 N GLU A 118 -7.676 9.710 -4.656 1.00 0.00 N ATOM 1088 CA GLU A 118 -6.795 10.454 -5.580 1.00 0.00 C ATOM 1089 C GLU A 118 -5.498 9.688 -5.910 1.00 0.00 C ATOM 1090 O GLU A 118 -5.161 9.513 -7.080 1.00 0.00 O ATOM 1091 CB GLU A 118 -6.500 11.845 -4.995 1.00 0.00 C ATOM 1092 CG GLU A 118 -7.757 12.709 -4.996 1.00 0.00 C ATOM 1093 CD GLU A 118 -7.581 13.991 -4.191 1.00 0.00 C ATOM 1094 OE1 GLU A 118 -7.870 13.946 -2.970 1.00 0.00 O ATOM 1095 OE2 GLU A 118 -7.169 14.997 -4.805 1.00 0.00 O ATOM 0 H GLU A 118 -7.877 10.209 -3.789 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.319 10.569 -6.529 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -6.123 11.744 -3.977 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -5.718 12.332 -5.578 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -8.020 12.961 -6.023 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -8.589 12.136 -4.585 1.00 0.00 H new ATOM 1097 N LYS A 119 -4.899 9.110 -4.869 1.00 0.00 N ATOM 1098 CA LYS A 119 -3.672 8.295 -4.988 1.00 0.00 C ATOM 1099 C LYS A 119 -3.917 7.003 -5.793 1.00 0.00 C ATOM 1100 O LYS A 119 -3.150 6.698 -6.703 1.00 0.00 O ATOM 1101 CB LYS A 119 -3.121 7.958 -3.598 1.00 0.00 C ATOM 1102 CG LYS A 119 -2.715 9.219 -2.823 1.00 0.00 C ATOM 1103 CD LYS A 119 -1.524 9.943 -3.447 1.00 0.00 C ATOM 1104 CE LYS A 119 -1.298 11.285 -2.762 1.00 0.00 C ATOM 1105 NZ LYS A 119 -0.087 11.899 -3.306 1.00 0.00 N ATOM 0 H LYS A 119 -5.246 9.189 -3.913 1.00 0.00 H new ATOM 0 HA LYS A 119 -2.936 8.887 -5.532 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.874 7.410 -3.032 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -2.258 7.300 -3.699 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.565 9.900 -2.777 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.470 8.945 -1.797 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -0.629 9.327 -3.358 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -1.701 10.096 -4.512 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -2.156 11.938 -2.922 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -1.199 11.146 -1.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -0.025 12.887 -2.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 0.747 11.374 -2.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -0.121 11.873 -4.345 1.00 0.00 H new ATOM 1110 N LEU A 120 -5.059 6.358 -5.519 1.00 0.00 N ATOM 1111 CA LEU A 120 -5.494 5.127 -6.215 1.00 0.00 C ATOM 1112 C LEU A 120 -5.506 5.322 -7.745 1.00 0.00 C ATOM 1113 O LEU A 120 -4.850 4.577 -8.474 1.00 0.00 O ATOM 1114 CB LEU A 120 -6.895 4.713 -5.751 1.00 0.00 C ATOM 1115 CG LEU A 120 -6.954 4.298 -4.269 1.00 0.00 C ATOM 1116 CD1 LEU A 120 -8.414 4.135 -3.837 1.00 0.00 C ATOM 1117 CD2 LEU A 120 -6.188 2.997 -4.006 1.00 0.00 C ATOM 0 H LEU A 120 -5.715 6.673 -4.805 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.779 4.343 -5.966 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -7.583 5.542 -5.916 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -7.242 3.883 -6.367 1.00 0.00 H new ATOM 0 HG LEU A 120 -6.477 5.085 -3.685 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -8.452 3.841 -2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -8.940 5.081 -3.969 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.890 3.367 -4.446 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -6.256 2.742 -2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -6.621 2.193 -4.602 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -5.141 3.129 -4.281 1.00 0.00 H new ATOM 1119 N ASN A 121 -6.103 6.433 -8.168 1.00 0.00 N ATOM 1120 CA ASN A 121 -6.214 6.868 -9.579 1.00 0.00 C ATOM 1121 C ASN A 121 -4.845 6.891 -10.281 1.00 0.00 C ATOM 1122 O ASN A 121 -4.609 6.197 -11.270 1.00 0.00 O ATOM 1123 CB ASN A 121 -6.819 8.270 -9.633 1.00 0.00 C ATOM 1124 CG ASN A 121 -8.278 8.357 -9.151 1.00 0.00 C ATOM 1125 OD1 ASN A 121 -9.001 7.379 -9.006 1.00 0.00 O ATOM 1126 ND2 ASN A 121 -8.703 9.539 -8.784 1.00 0.00 N ATOM 0 H ASN A 121 -6.543 7.088 -7.522 1.00 0.00 H new ATOM 0 HA ASN A 121 -6.852 6.152 -10.096 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -6.209 8.938 -9.025 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -6.767 8.635 -10.659 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -9.633 9.643 -8.379 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -8.104 10.356 -8.903 1.00 0.00 H new ATOM 1130 N LYS A 122 -3.931 7.630 -9.655 1.00 0.00 N ATOM 1131 CA LYS A 122 -2.531 7.804 -10.088 1.00 0.00 C ATOM 1132 C LYS A 122 -1.816 6.461 -10.325 1.00 0.00 C ATOM 1133 O LYS A 122 -1.329 6.186 -11.425 1.00 0.00 O ATOM 1134 CB LYS A 122 -1.837 8.596 -8.982 1.00 0.00 C ATOM 1135 CG LYS A 122 -1.483 10.003 -9.437 1.00 0.00 C ATOM 1136 CD LYS A 122 -0.649 10.704 -8.361 1.00 0.00 C ATOM 1137 CE LYS A 122 -0.075 12.030 -8.856 1.00 0.00 C ATOM 1138 NZ LYS A 122 0.842 11.803 -9.987 1.00 0.00 N ATOM 0 H LYS A 122 -4.145 8.146 -8.801 1.00 0.00 H new ATOM 0 HA LYS A 122 -2.498 8.326 -11.044 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -2.487 8.648 -8.109 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -0.931 8.074 -8.674 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -0.925 9.963 -10.373 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -2.393 10.571 -9.632 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -1.268 10.883 -7.482 1.00 0.00 H new ATOM 0 HD3 LYS A 122 0.166 10.050 -8.050 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -0.885 12.692 -9.163 1.00 0.00 H new ATOM 0 HE3 LYS A 122 0.455 12.530 -8.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 1.482 12.617 -10.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 1.400 10.943 -9.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 0.292 11.688 -10.862 1.00 0.00 H new ATOM 1143 N ILE A 123 -1.937 5.595 -9.332 1.00 0.00 N ATOM 1144 CA ILE A 123 -1.352 4.233 -9.328 1.00 0.00 C ATOM 1145 C ILE A 123 -1.907 3.391 -10.504 1.00 0.00 C ATOM 1146 O ILE A 123 -1.130 2.786 -11.254 1.00 0.00 O ATOM 1147 CB ILE A 123 -1.622 3.618 -7.946 1.00 0.00 C ATOM 1148 CG1 ILE A 123 -0.798 4.419 -6.910 1.00 0.00 C ATOM 1149 CG2 ILE A 123 -1.247 2.137 -7.871 1.00 0.00 C ATOM 1150 CD1 ILE A 123 -1.296 4.315 -5.468 1.00 0.00 C ATOM 0 H ILE A 123 -2.454 5.809 -8.479 1.00 0.00 H new ATOM 0 HA ILE A 123 -0.274 4.262 -9.488 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.691 3.674 -7.743 1.00 0.00 H new ATOM 0 HG12 ILE A 123 0.236 4.076 -6.947 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -0.796 5.469 -7.203 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -1.460 1.758 -6.871 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -1.829 1.577 -8.603 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -0.185 2.019 -8.085 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.655 4.910 -4.818 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -2.319 4.688 -5.408 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -1.270 3.273 -5.148 1.00 0.00 H new ATOM 1152 N PHE A 124 -3.217 3.444 -10.703 1.00 0.00 N ATOM 1153 CA PHE A 124 -3.901 2.713 -11.799 1.00 0.00 C ATOM 1154 C PHE A 124 -3.442 3.147 -13.191 1.00 0.00 C ATOM 1155 O PHE A 124 -3.266 2.313 -14.079 1.00 0.00 O ATOM 1156 CB PHE A 124 -5.431 2.769 -11.647 1.00 0.00 C ATOM 1157 CG PHE A 124 -5.951 2.115 -10.354 1.00 0.00 C ATOM 1158 CD1 PHE A 124 -5.223 1.084 -9.702 1.00 0.00 C ATOM 1159 CD2 PHE A 124 -7.078 2.691 -9.734 1.00 0.00 C ATOM 1160 CE1 PHE A 124 -5.582 0.680 -8.400 1.00 0.00 C ATOM 1161 CE2 PHE A 124 -7.457 2.286 -8.432 1.00 0.00 C ATOM 1162 CZ PHE A 124 -6.679 1.296 -7.770 1.00 0.00 C ATOM 0 H PHE A 124 -3.849 3.990 -10.118 1.00 0.00 H new ATOM 0 HA PHE A 124 -3.601 1.669 -11.705 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -5.751 3.811 -11.671 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -5.890 2.275 -12.503 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -4.393 0.609 -10.204 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -7.653 3.443 -10.253 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -5.022 -0.092 -7.893 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.320 2.720 -7.950 1.00 0.00 H new ATOM 0 HZ PHE A 124 -6.936 1.011 -6.761 1.00 0.00 H new ATOM 1164 N GLU A 125 -3.118 4.435 -13.316 1.00 0.00 N ATOM 1165 CA GLU A 125 -2.588 5.009 -14.579 1.00 0.00 C ATOM 1166 C GLU A 125 -1.261 4.334 -14.959 1.00 0.00 C ATOM 1167 O GLU A 125 -1.144 3.790 -16.057 1.00 0.00 O ATOM 1168 CB GLU A 125 -2.392 6.529 -14.464 1.00 0.00 C ATOM 1169 CG GLU A 125 -3.730 7.264 -14.385 1.00 0.00 C ATOM 1170 CD GLU A 125 -3.515 8.774 -14.220 1.00 0.00 C ATOM 1171 OE1 GLU A 125 -3.244 9.419 -15.252 1.00 0.00 O ATOM 1172 OE2 GLU A 125 -3.621 9.248 -13.071 1.00 0.00 O ATOM 0 H GLU A 125 -3.210 5.113 -12.560 1.00 0.00 H new ATOM 0 HA GLU A 125 -3.321 4.820 -15.363 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -1.800 6.754 -13.577 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -1.828 6.890 -15.324 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -4.309 7.071 -15.288 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -4.311 6.881 -13.546 1.00 0.00 H new ATOM 1174 N LYS A 126 -0.389 4.184 -13.960 1.00 0.00 N ATOM 1175 CA LYS A 126 0.928 3.519 -14.099 1.00 0.00 C ATOM 1176 C LYS A 126 0.792 2.038 -14.524 1.00 0.00 C ATOM 1177 O LYS A 126 1.610 1.523 -15.274 1.00 0.00 O ATOM 1178 CB LYS A 126 1.710 3.601 -12.791 1.00 0.00 C ATOM 1179 CG LYS A 126 2.166 5.031 -12.486 1.00 0.00 C ATOM 1180 CD LYS A 126 3.038 5.032 -11.228 1.00 0.00 C ATOM 1181 CE LYS A 126 3.683 6.400 -11.013 1.00 0.00 C ATOM 1182 NZ LYS A 126 4.564 6.311 -9.835 1.00 0.00 N ATOM 0 H LYS A 126 -0.571 4.522 -13.015 1.00 0.00 H new ATOM 0 HA LYS A 126 1.468 4.048 -14.885 1.00 0.00 H new ATOM 0 HB2 LYS A 126 1.089 3.236 -11.973 1.00 0.00 H new ATOM 0 HB3 LYS A 126 2.580 2.947 -12.847 1.00 0.00 H new ATOM 0 HG2 LYS A 126 2.726 5.433 -13.330 1.00 0.00 H new ATOM 0 HG3 LYS A 126 1.300 5.677 -12.342 1.00 0.00 H new ATOM 0 HD2 LYS A 126 2.432 4.771 -10.360 1.00 0.00 H new ATOM 0 HD3 LYS A 126 3.813 4.270 -11.317 1.00 0.00 H new ATOM 0 HE2 LYS A 126 4.254 6.694 -11.894 1.00 0.00 H new ATOM 0 HE3 LYS A 126 2.918 7.161 -10.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 4.949 7.252 -9.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 4.020 5.963 -9.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 5.346 5.655 -10.035 1.00 0.00 H new ATOM 1187 N LEU A 127 -0.279 1.403 -14.040 1.00 0.00 N ATOM 1188 CA LEU A 127 -0.634 0.004 -14.345 1.00 0.00 C ATOM 1189 C LEU A 127 -1.287 -0.199 -15.734 1.00 0.00 C ATOM 1190 O LEU A 127 -1.751 -1.298 -16.049 1.00 0.00 O ATOM 1191 CB LEU A 127 -1.564 -0.530 -13.252 1.00 0.00 C ATOM 1192 CG LEU A 127 -0.882 -0.597 -11.873 1.00 0.00 C ATOM 1193 CD1 LEU A 127 -1.951 -0.710 -10.791 1.00 0.00 C ATOM 1194 CD2 LEU A 127 0.124 -1.750 -11.781 1.00 0.00 C ATOM 0 H LEU A 127 -0.942 1.853 -13.410 1.00 0.00 H new ATOM 0 HA LEU A 127 0.303 -0.553 -14.373 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -2.445 0.108 -13.186 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -1.911 -1.525 -13.530 1.00 0.00 H new ATOM 0 HG LEU A 127 -0.311 0.320 -11.725 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -1.474 -0.758 -9.812 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -2.605 0.161 -10.834 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -2.539 -1.614 -10.953 1.00 0.00 H new ATOM 0 HD21 LEU A 127 0.580 -1.757 -10.791 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -0.390 -2.696 -11.951 1.00 0.00 H new ATOM 0 HD23 LEU A 127 0.899 -1.618 -12.536 1.00 0.00 H new ATOM 1196 N GLY A 128 -1.345 0.869 -16.527 1.00 0.00 N ATOM 1197 CA GLY A 128 -1.927 0.876 -17.886 1.00 0.00 C ATOM 1198 C GLY A 128 -3.436 1.181 -17.965 1.00 0.00 C ATOM 1199 O GLY A 128 -4.028 1.049 -19.033 1.00 0.00 O ATOM 0 H GLY A 128 -0.983 1.780 -16.244 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -1.394 1.614 -18.486 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -1.747 -0.097 -18.343 1.00 0.00 H new ATOM 1201 N MET A 129 -4.033 1.637 -16.855 1.00 0.00 N ATOM 1202 CA MET A 129 -5.481 1.972 -16.814 1.00 0.00 C ATOM 1203 C MET A 129 -5.776 3.482 -16.859 1.00 0.00 C ATOM 1204 O MET A 129 -5.563 4.155 -15.821 1.00 0.00 O ATOM 1205 CB MET A 129 -6.162 1.318 -15.601 1.00 0.00 C ATOM 1206 CG MET A 129 -6.317 -0.192 -15.766 1.00 0.00 C ATOM 1207 SD MET A 129 -7.198 -0.995 -14.381 1.00 0.00 S ATOM 1208 CE MET A 129 -5.936 -0.985 -13.124 1.00 0.00 C ATOM 1209 OXT MET A 129 -6.137 3.950 -17.960 1.00 0.00 O ATOM 0 H MET A 129 -3.546 1.785 -15.971 1.00 0.00 H new ATOM 0 HA MET A 129 -5.905 1.559 -17.729 1.00 0.00 H new ATOM 0 HB2 MET A 129 -5.578 1.525 -14.704 1.00 0.00 H new ATOM 0 HB3 MET A 129 -7.144 1.767 -15.453 1.00 0.00 H new ATOM 0 HG2 MET A 129 -6.854 -0.394 -16.693 1.00 0.00 H new ATOM 0 HG3 MET A 129 -5.329 -0.641 -15.866 1.00 0.00 H new ATOM 0 HE1 MET A 129 -6.073 -1.841 -12.464 1.00 0.00 H new ATOM 0 HE2 MET A 129 -4.954 -1.043 -13.594 1.00 0.00 H new ATOM 0 HE3 MET A 129 -6.007 -0.065 -12.544 1.00 0.00 H new TER 1211 MET A 129