USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 847 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 23 TYR OH : rot 30:sc= 0.822 USER MOD Set 1.2: A 65 SER OG : rot 150:sc= 1.15 USER MOD Single : A 1 MET CE :methyl -168:sc= -0.0463 (180deg=-0.295) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.024) USER MOD Single : A 7 GLN : amide:sc= -0.441 X(o=-0.44,f=-0.12) USER MOD Single : A 13 HIS : no HD1:sc= -1.5 X(o=-1.5,f=-1.9!) USER MOD Single : A 14 GLN : amide:sc= -0.623 X(o=-0.62,f=-0.28) USER MOD Single : A 17 LYS NZ :NH3+ -141:sc= -0.365 (180deg=-1.35!) USER MOD Single : A 19 LYS NZ :NH3+ -175:sc=-0.00213 (180deg=-0.0599) USER MOD Single : A 21 SER OG : rot 63:sc= -0.248 USER MOD Single : A 22 THR OG1 : rot -70:sc= 0.0303 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 164:sc= -1.68 (180deg=-2.16!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 171:sc= -0.01 (180deg=-0.117) USER MOD Single : A 45 ASN : amide:sc= -0.166 X(o=-0.17,f=-0.059) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -1.41! C(o=-1.4!,f=-8.2!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.209 K(o=-0.21,f=-2) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.0472 K(o=-0.047,f=-1.5) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 77 LYS NZ :NH3+ -125:sc= 0.87 (180deg=-0.432) USER MOD Single : A 86 SER OG : rot 180:sc= -0.0754 USER MOD Single : A 90 LYS NZ :NH3+ -171:sc=-0.00126 (180deg=-0.135) USER MOD Single : A 95 LYS NZ :NH3+ 162:sc= 0.786 (180deg=0.304) USER MOD Single : A 96 TYR OH : rot 110:sc= -0.242 USER MOD Single : A 97 LYS NZ :NH3+ -147:sc= 1.15 (180deg=-0.884) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.544 -2.885 13.492 1.00 51.11 N ATOM 2 CA MET A 1 -15.574 -2.934 12.366 1.00 23.33 C ATOM 3 C MET A 1 -15.949 -4.041 11.369 1.00 54.24 C ATOM 4 O MET A 1 -16.004 -5.214 11.729 1.00 24.22 O ATOM 5 CB MET A 1 -14.155 -3.160 12.905 1.00 61.02 C ATOM 6 CG MET A 1 -13.069 -3.100 11.842 1.00 2.52 C ATOM 7 SD MET A 1 -11.420 -3.326 12.533 1.00 55.54 S ATOM 8 CE MET A 1 -10.410 -3.148 11.065 1.00 52.12 C ATOM 0 H1 MET A 1 -16.271 -2.130 14.153 1.00 51.11 H new ATOM 0 H2 MET A 1 -17.497 -2.693 13.121 1.00 51.11 H new ATOM 0 H3 MET A 1 -16.544 -3.798 13.990 1.00 51.11 H new ATOM 0 HA MET A 1 -15.606 -1.979 11.841 1.00 23.33 H new ATOM 0 HB2 MET A 1 -13.944 -2.410 13.667 1.00 61.02 H new ATOM 0 HB3 MET A 1 -14.115 -4.133 13.395 1.00 61.02 H new ATOM 0 HG2 MET A 1 -13.255 -3.869 11.093 1.00 2.52 H new ATOM 0 HG3 MET A 1 -13.117 -2.139 11.331 1.00 2.52 H new ATOM 0 HE1 MET A 1 -9.392 -3.470 11.283 1.00 52.12 H new ATOM 0 HE2 MET A 1 -10.821 -3.762 10.264 1.00 52.12 H new ATOM 0 HE3 MET A 1 -10.402 -2.103 10.754 1.00 52.12 H new ATOM 20 N ASP A 2 -16.196 -3.659 10.117 1.00 25.01 N ATOM 21 CA ASP A 2 -16.666 -4.598 9.085 1.00 44.24 C ATOM 22 C ASP A 2 -15.630 -5.700 8.763 1.00 43.22 C ATOM 23 O ASP A 2 -14.424 -5.442 8.702 1.00 10.01 O ATOM 24 CB ASP A 2 -17.026 -3.817 7.814 1.00 31.53 C ATOM 25 CG ASP A 2 -17.709 -4.679 6.767 1.00 24.32 C ATOM 26 OD1 ASP A 2 -18.949 -4.819 6.819 1.00 24.10 O ATOM 27 OD2 ASP A 2 -17.014 -5.212 5.883 1.00 34.42 O ATOM 0 H ASP A 2 -16.079 -2.701 9.786 1.00 25.01 H new ATOM 0 HA ASP A 2 -17.548 -5.105 9.477 1.00 44.24 H new ATOM 0 HB2 ASP A 2 -17.680 -2.986 8.077 1.00 31.53 H new ATOM 0 HB3 ASP A 2 -16.119 -3.387 7.389 1.00 31.53 H new ATOM 32 N GLN A 3 -16.124 -6.926 8.543 1.00 33.03 N ATOM 33 CA GLN A 3 -15.276 -8.088 8.219 1.00 45.33 C ATOM 34 C GLN A 3 -14.331 -7.821 7.033 1.00 2.44 C ATOM 35 O GLN A 3 -13.176 -8.254 7.042 1.00 12.44 O ATOM 36 CB GLN A 3 -16.151 -9.317 7.910 1.00 23.24 C ATOM 37 CG GLN A 3 -16.744 -9.997 9.141 1.00 74.50 C ATOM 38 CD GLN A 3 -15.693 -10.703 9.990 1.00 61.41 C ATOM 39 OE1 GLN A 3 -15.372 -11.867 9.763 1.00 70.22 O ATOM 40 NE2 GLN A 3 -15.157 -10.018 10.978 1.00 71.24 N ATOM 0 H GLN A 3 -17.120 -7.143 8.584 1.00 33.03 H new ATOM 0 HA GLN A 3 -14.658 -8.279 9.096 1.00 45.33 H new ATOM 0 HB2 GLN A 3 -16.964 -9.012 7.252 1.00 23.24 H new ATOM 0 HB3 GLN A 3 -15.553 -10.045 7.361 1.00 23.24 H new ATOM 0 HG2 GLN A 3 -17.256 -9.252 9.750 1.00 74.50 H new ATOM 0 HG3 GLN A 3 -17.495 -10.721 8.824 1.00 74.50 H new ATOM 0 HE21 GLN A 3 -15.443 -9.053 11.143 1.00 71.24 H new ATOM 0 HE22 GLN A 3 -14.456 -10.452 11.578 1.00 71.24 H new ATOM 49 N PHE A 4 -14.824 -7.119 6.009 1.00 2.41 N ATOM 50 CA PHE A 4 -13.997 -6.769 4.847 1.00 51.23 C ATOM 51 C PHE A 4 -12.762 -5.969 5.280 1.00 31.13 C ATOM 52 O PHE A 4 -11.636 -6.287 4.896 1.00 41.42 O ATOM 53 CB PHE A 4 -14.822 -5.969 3.825 1.00 64.13 C ATOM 54 CG PHE A 4 -14.007 -5.387 2.697 1.00 63.41 C ATOM 55 CD1 PHE A 4 -13.574 -6.185 1.648 1.00 44.50 C ATOM 56 CD2 PHE A 4 -13.671 -4.040 2.689 1.00 53.11 C ATOM 57 CE1 PHE A 4 -12.824 -5.652 0.618 1.00 62.12 C ATOM 58 CE2 PHE A 4 -12.924 -3.504 1.662 1.00 24.44 C ATOM 59 CZ PHE A 4 -12.499 -4.311 0.625 1.00 24.33 C ATOM 0 H PHE A 4 -15.786 -6.783 5.959 1.00 2.41 H new ATOM 0 HA PHE A 4 -13.659 -7.692 4.377 1.00 51.23 H new ATOM 0 HB2 PHE A 4 -15.591 -6.619 3.406 1.00 64.13 H new ATOM 0 HB3 PHE A 4 -15.336 -5.159 4.343 1.00 64.13 H new ATOM 0 HD1 PHE A 4 -13.826 -7.235 1.637 1.00 44.50 H new ATOM 0 HD2 PHE A 4 -13.999 -3.404 3.498 1.00 53.11 H new ATOM 0 HE1 PHE A 4 -12.492 -6.284 -0.192 1.00 62.12 H new ATOM 0 HE2 PHE A 4 -12.671 -2.454 1.668 1.00 24.44 H new ATOM 0 HZ PHE A 4 -11.913 -3.893 -0.180 1.00 24.33 H new ATOM 69 N LEU A 5 -12.987 -4.946 6.098 1.00 22.42 N ATOM 70 CA LEU A 5 -11.903 -4.106 6.611 1.00 30.43 C ATOM 71 C LEU A 5 -10.910 -4.927 7.446 1.00 24.12 C ATOM 72 O LEU A 5 -9.697 -4.822 7.266 1.00 11.54 O ATOM 73 CB LEU A 5 -12.482 -2.964 7.457 1.00 30.12 C ATOM 74 CG LEU A 5 -13.502 -2.070 6.734 1.00 54.33 C ATOM 75 CD1 LEU A 5 -14.037 -0.996 7.670 1.00 33.41 C ATOM 76 CD2 LEU A 5 -12.884 -1.442 5.485 1.00 52.45 C ATOM 0 H LEU A 5 -13.915 -4.675 6.423 1.00 22.42 H new ATOM 0 HA LEU A 5 -11.365 -3.690 5.760 1.00 30.43 H new ATOM 0 HB2 LEU A 5 -12.958 -3.391 8.340 1.00 30.12 H new ATOM 0 HB3 LEU A 5 -11.660 -2.340 7.809 1.00 30.12 H new ATOM 0 HG LEU A 5 -14.339 -2.695 6.421 1.00 54.33 H new ATOM 0 HD11 LEU A 5 -14.757 -0.375 7.137 1.00 33.41 H new ATOM 0 HD12 LEU A 5 -14.525 -1.467 8.523 1.00 33.41 H new ATOM 0 HD13 LEU A 5 -13.212 -0.376 8.021 1.00 33.41 H new ATOM 0 HD21 LEU A 5 -13.624 -0.814 4.990 1.00 52.45 H new ATOM 0 HD22 LEU A 5 -12.025 -0.835 5.770 1.00 52.45 H new ATOM 0 HD23 LEU A 5 -12.562 -2.229 4.803 1.00 52.45 H new ATOM 88 N VAL A 6 -11.439 -5.755 8.346 1.00 72.12 N ATOM 89 CA VAL A 6 -10.610 -6.593 9.220 1.00 3.54 C ATOM 90 C VAL A 6 -9.660 -7.492 8.409 1.00 72.33 C ATOM 91 O VAL A 6 -8.450 -7.499 8.635 1.00 50.34 O ATOM 92 CB VAL A 6 -11.486 -7.485 10.141 1.00 12.32 C ATOM 93 CG1 VAL A 6 -10.612 -8.363 11.033 1.00 22.32 C ATOM 94 CG2 VAL A 6 -12.436 -6.634 10.985 1.00 31.34 C ATOM 0 H VAL A 6 -12.443 -5.866 8.491 1.00 72.12 H new ATOM 0 HA VAL A 6 -10.018 -5.913 9.833 1.00 3.54 H new ATOM 0 HB VAL A 6 -12.089 -8.135 9.506 1.00 12.32 H new ATOM 0 HG11 VAL A 6 -11.246 -8.980 11.670 1.00 22.32 H new ATOM 0 HG12 VAL A 6 -9.988 -9.005 10.412 1.00 22.32 H new ATOM 0 HG13 VAL A 6 -9.977 -7.732 11.655 1.00 22.32 H new ATOM 0 HG21 VAL A 6 -13.038 -7.283 11.621 1.00 31.34 H new ATOM 0 HG22 VAL A 6 -11.857 -5.951 11.607 1.00 31.34 H new ATOM 0 HG23 VAL A 6 -13.091 -6.060 10.329 1.00 31.34 H new ATOM 104 N GLN A 7 -10.218 -8.234 7.455 1.00 30.31 N ATOM 105 CA GLN A 7 -9.442 -9.195 6.663 1.00 53.31 C ATOM 106 C GLN A 7 -8.359 -8.525 5.800 1.00 5.52 C ATOM 107 O GLN A 7 -7.199 -8.940 5.827 1.00 12.31 O ATOM 108 CB GLN A 7 -10.379 -10.036 5.785 1.00 30.33 C ATOM 109 CG GLN A 7 -11.285 -10.966 6.586 1.00 24.14 C ATOM 110 CD GLN A 7 -10.505 -12.029 7.344 1.00 50.11 C ATOM 111 OE1 GLN A 7 -10.268 -13.122 6.841 1.00 10.11 O ATOM 112 NE2 GLN A 7 -10.094 -11.718 8.557 1.00 31.03 N ATOM 0 H GLN A 7 -11.207 -8.190 7.209 1.00 30.31 H new ATOM 0 HA GLN A 7 -8.923 -9.842 7.370 1.00 53.31 H new ATOM 0 HB2 GLN A 7 -10.996 -9.370 5.182 1.00 30.33 H new ATOM 0 HB3 GLN A 7 -9.781 -10.630 5.093 1.00 30.33 H new ATOM 0 HG2 GLN A 7 -11.871 -10.378 7.292 1.00 24.14 H new ATOM 0 HG3 GLN A 7 -11.991 -11.450 5.911 1.00 24.14 H new ATOM 0 HE21 GLN A 7 -10.307 -10.800 8.948 1.00 31.03 H new ATOM 0 HE22 GLN A 7 -9.563 -12.395 9.105 1.00 31.03 H new ATOM 121 N ILE A 8 -8.725 -7.491 5.040 1.00 21.43 N ATOM 122 CA ILE A 8 -7.755 -6.812 4.167 1.00 44.30 C ATOM 123 C ILE A 8 -6.596 -6.207 4.979 1.00 3.11 C ATOM 124 O ILE A 8 -5.432 -6.316 4.591 1.00 55.45 O ATOM 125 CB ILE A 8 -8.419 -5.714 3.292 1.00 11.21 C ATOM 126 CG1 ILE A 8 -9.063 -4.623 4.163 1.00 65.25 C ATOM 127 CG2 ILE A 8 -9.452 -6.337 2.349 1.00 1.50 C ATOM 128 CD1 ILE A 8 -9.672 -3.482 3.373 1.00 54.21 C ATOM 0 H ILE A 8 -9.670 -7.107 5.008 1.00 21.43 H new ATOM 0 HA ILE A 8 -7.356 -7.576 3.500 1.00 44.30 H new ATOM 0 HB ILE A 8 -7.641 -5.242 2.692 1.00 11.21 H new ATOM 0 HG12 ILE A 8 -9.837 -5.077 4.782 1.00 65.25 H new ATOM 0 HG13 ILE A 8 -8.309 -4.221 4.840 1.00 65.25 H new ATOM 0 HG21 ILE A 8 -9.909 -5.555 1.742 1.00 1.50 H new ATOM 0 HG22 ILE A 8 -8.961 -7.061 1.699 1.00 1.50 H new ATOM 0 HG23 ILE A 8 -10.223 -6.839 2.934 1.00 1.50 H new ATOM 0 HD11 ILE A 8 -10.105 -2.755 4.060 1.00 54.21 H new ATOM 0 HD12 ILE A 8 -8.899 -3.000 2.775 1.00 54.21 H new ATOM 0 HD13 ILE A 8 -10.451 -3.869 2.716 1.00 54.21 H new ATOM 140 N PHE A 9 -6.914 -5.597 6.121 1.00 72.12 N ATOM 141 CA PHE A 9 -5.889 -5.025 7.002 1.00 14.30 C ATOM 142 C PHE A 9 -4.999 -6.125 7.597 1.00 20.54 C ATOM 143 O PHE A 9 -3.777 -5.977 7.669 1.00 11.24 O ATOM 144 CB PHE A 9 -6.539 -4.202 8.125 1.00 4.24 C ATOM 145 CG PHE A 9 -7.309 -2.988 7.646 1.00 74.52 C ATOM 146 CD1 PHE A 9 -7.134 -2.483 6.360 1.00 33.23 C ATOM 147 CD2 PHE A 9 -8.205 -2.345 8.490 1.00 43.41 C ATOM 148 CE1 PHE A 9 -7.838 -1.370 5.934 1.00 0.34 C ATOM 149 CE2 PHE A 9 -8.910 -1.235 8.066 1.00 4.03 C ATOM 150 CZ PHE A 9 -8.726 -0.746 6.787 1.00 54.41 C ATOM 0 H PHE A 9 -7.870 -5.485 6.459 1.00 72.12 H new ATOM 0 HA PHE A 9 -5.262 -4.365 6.402 1.00 14.30 H new ATOM 0 HB2 PHE A 9 -7.214 -4.847 8.687 1.00 4.24 H new ATOM 0 HB3 PHE A 9 -5.762 -3.875 8.816 1.00 4.24 H new ATOM 0 HD1 PHE A 9 -6.441 -2.966 5.687 1.00 33.23 H new ATOM 0 HD2 PHE A 9 -8.353 -2.718 9.493 1.00 43.41 H new ATOM 0 HE1 PHE A 9 -7.692 -0.990 4.934 1.00 0.34 H new ATOM 0 HE2 PHE A 9 -9.605 -0.749 8.735 1.00 4.03 H new ATOM 0 HZ PHE A 9 -9.276 0.122 6.455 1.00 54.41 H new ATOM 160 N ALA A 10 -5.619 -7.233 8.006 1.00 44.03 N ATOM 161 CA ALA A 10 -4.883 -8.380 8.544 1.00 35.42 C ATOM 162 C ALA A 10 -3.820 -8.885 7.554 1.00 61.44 C ATOM 163 O ALA A 10 -2.722 -9.277 7.948 1.00 11.33 O ATOM 164 CB ALA A 10 -5.849 -9.505 8.901 1.00 32.12 C ATOM 0 H ALA A 10 -6.630 -7.361 7.975 1.00 44.03 H new ATOM 0 HA ALA A 10 -4.367 -8.051 9.446 1.00 35.42 H new ATOM 0 HB1 ALA A 10 -5.290 -10.352 9.300 1.00 32.12 H new ATOM 0 HB2 ALA A 10 -6.557 -9.152 9.651 1.00 32.12 H new ATOM 0 HB3 ALA A 10 -6.391 -9.816 8.008 1.00 32.12 H new ATOM 170 N VAL A 11 -4.150 -8.867 6.263 1.00 50.44 N ATOM 171 CA VAL A 11 -3.199 -9.267 5.221 1.00 14.45 C ATOM 172 C VAL A 11 -2.030 -8.276 5.134 1.00 40.30 C ATOM 173 O VAL A 11 -0.870 -8.672 5.008 1.00 13.11 O ATOM 174 CB VAL A 11 -3.885 -9.373 3.837 1.00 63.21 C ATOM 175 CG1 VAL A 11 -2.876 -9.748 2.753 1.00 12.11 C ATOM 176 CG2 VAL A 11 -5.033 -10.380 3.881 1.00 73.13 C ATOM 0 H VAL A 11 -5.064 -8.581 5.912 1.00 50.44 H new ATOM 0 HA VAL A 11 -2.817 -10.250 5.498 1.00 14.45 H new ATOM 0 HB VAL A 11 -4.297 -8.395 3.588 1.00 63.21 H new ATOM 0 HG11 VAL A 11 -3.384 -9.816 1.791 1.00 12.11 H new ATOM 0 HG12 VAL A 11 -2.099 -8.986 2.700 1.00 12.11 H new ATOM 0 HG13 VAL A 11 -2.424 -10.710 2.994 1.00 12.11 H new ATOM 0 HG21 VAL A 11 -5.502 -10.440 2.899 1.00 73.13 H new ATOM 0 HG22 VAL A 11 -4.646 -11.361 4.159 1.00 73.13 H new ATOM 0 HG23 VAL A 11 -5.771 -10.059 4.616 1.00 73.13 H new ATOM 186 N ILE A 12 -2.347 -6.987 5.224 1.00 61.33 N ATOM 187 CA ILE A 12 -1.334 -5.927 5.173 1.00 64.43 C ATOM 188 C ILE A 12 -0.341 -6.027 6.348 1.00 75.12 C ATOM 189 O ILE A 12 0.855 -5.785 6.183 1.00 14.12 O ATOM 190 CB ILE A 12 -2.002 -4.531 5.169 1.00 2.43 C ATOM 191 CG1 ILE A 12 -2.976 -4.411 3.986 1.00 25.45 C ATOM 192 CG2 ILE A 12 -0.948 -3.426 5.110 1.00 31.05 C ATOM 193 CD1 ILE A 12 -3.831 -3.163 4.023 1.00 3.12 C ATOM 0 H ILE A 12 -3.302 -6.646 5.333 1.00 61.33 H new ATOM 0 HA ILE A 12 -0.776 -6.061 4.246 1.00 64.43 H new ATOM 0 HB ILE A 12 -2.563 -4.415 6.096 1.00 2.43 H new ATOM 0 HG12 ILE A 12 -2.407 -4.423 3.056 1.00 25.45 H new ATOM 0 HG13 ILE A 12 -3.626 -5.286 3.973 1.00 25.45 H new ATOM 0 HG21 ILE A 12 -1.440 -2.453 5.108 1.00 31.05 H new ATOM 0 HG22 ILE A 12 -0.294 -3.500 5.979 1.00 31.05 H new ATOM 0 HG23 ILE A 12 -0.357 -3.535 4.201 1.00 31.05 H new ATOM 0 HD11 ILE A 12 -4.492 -3.149 3.156 1.00 3.12 H new ATOM 0 HD12 ILE A 12 -4.428 -3.158 4.935 1.00 3.12 H new ATOM 0 HD13 ILE A 12 -3.190 -2.282 4.004 1.00 3.12 H new ATOM 205 N HIS A 13 -0.835 -6.401 7.532 1.00 64.24 N ATOM 206 CA HIS A 13 0.040 -6.641 8.693 1.00 63.42 C ATOM 207 C HIS A 13 1.108 -7.712 8.391 1.00 51.43 C ATOM 208 O HIS A 13 2.144 -7.774 9.056 1.00 64.42 O ATOM 209 CB HIS A 13 -0.782 -7.074 9.916 1.00 61.11 C ATOM 210 CG HIS A 13 -1.547 -5.960 10.569 1.00 70.02 C ATOM 211 ND1 HIS A 13 -0.903 -4.973 11.277 1.00 3.24 N ATOM 212 CD2 HIS A 13 -2.882 -5.732 10.612 1.00 55.44 C ATOM 213 CE1 HIS A 13 -1.851 -4.173 11.731 1.00 54.04 C ATOM 214 NE2 HIS A 13 -3.066 -4.593 11.355 1.00 4.44 N ATOM 0 H HIS A 13 -1.828 -6.544 7.716 1.00 64.24 H new ATOM 0 HA HIS A 13 0.545 -5.700 8.910 1.00 63.42 H new ATOM 0 HB2 HIS A 13 -1.483 -7.851 9.612 1.00 61.11 H new ATOM 0 HB3 HIS A 13 -0.112 -7.519 10.651 1.00 61.11 H new ATOM 0 HD2 HIS A 13 -3.653 -6.331 10.150 1.00 55.44 H new ATOM 0 HE1 HIS A 13 -1.670 -3.292 12.329 1.00 54.04 H new ATOM 0 HE2 HIS A 13 -3.958 -4.151 11.578 1.00 4.44 H new ATOM 222 N GLN A 14 0.850 -8.547 7.383 1.00 34.33 N ATOM 223 CA GLN A 14 1.762 -9.641 7.018 1.00 74.21 C ATOM 224 C GLN A 14 2.852 -9.192 6.022 1.00 23.23 C ATOM 225 O GLN A 14 3.747 -9.973 5.687 1.00 62.41 O ATOM 226 CB GLN A 14 0.959 -10.831 6.448 1.00 13.23 C ATOM 227 CG GLN A 14 0.847 -12.018 7.407 1.00 12.41 C ATOM 228 CD GLN A 14 0.244 -11.665 8.762 1.00 25.45 C ATOM 229 OE1 GLN A 14 0.603 -12.249 9.779 1.00 72.21 O ATOM 230 NE2 GLN A 14 -0.692 -10.736 8.792 1.00 4.31 N ATOM 0 H GLN A 14 0.015 -8.489 6.801 1.00 34.33 H new ATOM 0 HA GLN A 14 2.276 -9.955 7.926 1.00 74.21 H new ATOM 0 HB2 GLN A 14 -0.043 -10.490 6.189 1.00 13.23 H new ATOM 0 HB3 GLN A 14 1.431 -11.166 5.524 1.00 13.23 H new ATOM 0 HG2 GLN A 14 0.238 -12.793 6.941 1.00 12.41 H new ATOM 0 HG3 GLN A 14 1.839 -12.442 7.562 1.00 12.41 H new ATOM 0 HE21 GLN A 14 -0.972 -10.266 7.931 1.00 4.31 H new ATOM 0 HE22 GLN A 14 -1.136 -10.488 9.676 1.00 4.31 H new ATOM 239 N ILE A 15 2.787 -7.940 5.562 1.00 11.41 N ATOM 240 CA ILE A 15 3.806 -7.395 4.653 1.00 52.11 C ATOM 241 C ILE A 15 5.096 -7.047 5.423 1.00 41.15 C ATOM 242 O ILE A 15 5.061 -6.272 6.381 1.00 23.43 O ATOM 243 CB ILE A 15 3.300 -6.122 3.916 1.00 61.03 C ATOM 244 CG1 ILE A 15 1.978 -6.409 3.189 1.00 62.11 C ATOM 245 CG2 ILE A 15 4.356 -5.613 2.928 1.00 42.34 C ATOM 246 CD1 ILE A 15 1.370 -5.185 2.534 1.00 64.32 C ATOM 0 H ILE A 15 2.043 -7.284 5.801 1.00 11.41 H new ATOM 0 HA ILE A 15 4.015 -8.168 3.914 1.00 52.11 H new ATOM 0 HB ILE A 15 3.123 -5.345 4.659 1.00 61.03 H new ATOM 0 HG12 ILE A 15 2.149 -7.171 2.429 1.00 62.11 H new ATOM 0 HG13 ILE A 15 1.264 -6.823 3.901 1.00 62.11 H new ATOM 0 HG21 ILE A 15 3.982 -4.722 2.423 1.00 42.34 H new ATOM 0 HG22 ILE A 15 5.271 -5.368 3.468 1.00 42.34 H new ATOM 0 HG23 ILE A 15 4.567 -6.387 2.190 1.00 42.34 H new ATOM 0 HD11 ILE A 15 0.439 -5.462 2.040 1.00 64.32 H new ATOM 0 HD12 ILE A 15 1.167 -4.429 3.293 1.00 64.32 H new ATOM 0 HD13 ILE A 15 2.066 -4.783 1.798 1.00 64.32 H new ATOM 258 N PRO A 16 6.247 -7.635 5.035 1.00 61.25 N ATOM 259 CA PRO A 16 7.543 -7.340 5.672 1.00 51.11 C ATOM 260 C PRO A 16 8.034 -5.910 5.389 1.00 11.04 C ATOM 261 O PRO A 16 7.486 -5.203 4.540 1.00 52.23 O ATOM 262 CB PRO A 16 8.492 -8.375 5.048 1.00 63.40 C ATOM 263 CG PRO A 16 7.866 -8.716 3.738 1.00 74.50 C ATOM 264 CD PRO A 16 6.378 -8.636 3.962 1.00 4.11 C ATOM 0 HA PRO A 16 7.482 -7.399 6.759 1.00 51.11 H new ATOM 0 HB2 PRO A 16 9.493 -7.965 4.914 1.00 63.40 H new ATOM 0 HB3 PRO A 16 8.590 -9.256 5.682 1.00 63.40 H new ATOM 0 HG2 PRO A 16 8.182 -8.021 2.960 1.00 74.50 H new ATOM 0 HG3 PRO A 16 8.159 -9.714 3.412 1.00 74.50 H new ATOM 0 HD2 PRO A 16 5.852 -8.328 3.059 1.00 4.11 H new ATOM 0 HD3 PRO A 16 5.964 -9.600 4.259 1.00 4.11 H new ATOM 272 N LYS A 17 9.080 -5.494 6.098 1.00 24.01 N ATOM 273 CA LYS A 17 9.606 -4.134 5.966 1.00 65.41 C ATOM 274 C LYS A 17 10.235 -3.890 4.581 1.00 2.32 C ATOM 275 O LYS A 17 10.752 -4.810 3.948 1.00 40.13 O ATOM 276 CB LYS A 17 10.637 -3.855 7.066 1.00 13.12 C ATOM 277 CG LYS A 17 11.201 -2.444 7.006 1.00 32.13 C ATOM 278 CD LYS A 17 12.154 -2.153 8.150 1.00 73.44 C ATOM 279 CE LYS A 17 12.669 -0.719 8.088 1.00 13.40 C ATOM 280 NZ LYS A 17 11.599 0.272 8.381 1.00 21.42 N ATOM 0 H LYS A 17 9.581 -6.076 6.769 1.00 24.01 H new ATOM 0 HA LYS A 17 8.765 -3.448 6.073 1.00 65.41 H new ATOM 0 HB2 LYS A 17 10.174 -4.014 8.040 1.00 13.12 H new ATOM 0 HB3 LYS A 17 11.454 -4.571 6.981 1.00 13.12 H new ATOM 0 HG2 LYS A 17 11.721 -2.304 6.059 1.00 32.13 H new ATOM 0 HG3 LYS A 17 10.381 -1.726 7.029 1.00 32.13 H new ATOM 0 HD2 LYS A 17 11.647 -2.319 9.100 1.00 73.44 H new ATOM 0 HD3 LYS A 17 12.995 -2.846 8.112 1.00 73.44 H new ATOM 0 HE2 LYS A 17 13.483 -0.595 8.802 1.00 13.40 H new ATOM 0 HE3 LYS A 17 13.082 -0.525 7.098 1.00 13.40 H new ATOM 0 HZ1 LYS A 17 11.708 1.095 7.755 1.00 21.42 H new ATOM 0 HZ2 LYS A 17 10.669 -0.164 8.221 1.00 21.42 H new ATOM 0 HZ3 LYS A 17 11.672 0.579 9.372 1.00 21.42 H new ATOM 294 N GLY A 18 10.169 -2.644 4.110 1.00 1.42 N ATOM 295 CA GLY A 18 10.751 -2.288 2.816 1.00 50.51 C ATOM 296 C GLY A 18 9.898 -2.708 1.618 1.00 34.50 C ATOM 297 O GLY A 18 9.887 -2.029 0.592 1.00 52.30 O ATOM 0 H GLY A 18 9.722 -1.870 4.601 1.00 1.42 H new ATOM 0 HA2 GLY A 18 10.903 -1.209 2.781 1.00 50.51 H new ATOM 0 HA3 GLY A 18 11.734 -2.751 2.730 1.00 50.51 H new ATOM 301 N LYS A 19 9.187 -3.825 1.747 1.00 53.34 N ATOM 302 CA LYS A 19 8.371 -4.361 0.654 1.00 42.14 C ATOM 303 C LYS A 19 7.042 -3.605 0.484 1.00 63.43 C ATOM 304 O LYS A 19 6.565 -2.927 1.399 1.00 11.31 O ATOM 305 CB LYS A 19 8.092 -5.853 0.886 1.00 71.50 C ATOM 306 CG LYS A 19 9.344 -6.730 0.873 1.00 21.32 C ATOM 307 CD LYS A 19 10.098 -6.624 -0.452 1.00 11.34 C ATOM 308 CE LYS A 19 11.254 -7.614 -0.535 1.00 61.23 C ATOM 309 NZ LYS A 19 12.237 -7.429 0.565 1.00 31.44 N ATOM 0 H LYS A 19 9.158 -4.381 2.601 1.00 53.34 H new ATOM 0 HA LYS A 19 8.942 -4.227 -0.265 1.00 42.14 H new ATOM 0 HB2 LYS A 19 7.587 -5.973 1.845 1.00 71.50 H new ATOM 0 HB3 LYS A 19 7.405 -6.207 0.118 1.00 71.50 H new ATOM 0 HG2 LYS A 19 10.002 -6.436 1.690 1.00 21.32 H new ATOM 0 HG3 LYS A 19 9.062 -7.768 1.049 1.00 21.32 H new ATOM 0 HD2 LYS A 19 9.408 -6.803 -1.277 1.00 11.34 H new ATOM 0 HD3 LYS A 19 10.480 -5.610 -0.571 1.00 11.34 H new ATOM 0 HE2 LYS A 19 10.862 -8.630 -0.501 1.00 61.23 H new ATOM 0 HE3 LYS A 19 11.759 -7.499 -1.494 1.00 61.23 H new ATOM 0 HZ1 LYS A 19 13.046 -8.066 0.419 1.00 31.44 H new ATOM 0 HZ2 LYS A 19 12.570 -6.444 0.571 1.00 31.44 H new ATOM 0 HZ3 LYS A 19 11.784 -7.647 1.475 1.00 31.44 H new ATOM 323 N VAL A 20 6.452 -3.740 -0.703 1.00 4.11 N ATOM 324 CA VAL A 20 5.160 -3.130 -1.025 1.00 1.42 C ATOM 325 C VAL A 20 4.211 -4.168 -1.647 1.00 23.12 C ATOM 326 O VAL A 20 4.655 -5.179 -2.192 1.00 54.33 O ATOM 327 CB VAL A 20 5.316 -1.935 -2.009 1.00 54.04 C ATOM 328 CG1 VAL A 20 6.214 -0.848 -1.415 1.00 54.42 C ATOM 329 CG2 VAL A 20 5.851 -2.403 -3.367 1.00 13.24 C ATOM 0 H VAL A 20 6.856 -4.276 -1.471 1.00 4.11 H new ATOM 0 HA VAL A 20 4.742 -2.760 -0.089 1.00 1.42 H new ATOM 0 HB VAL A 20 4.327 -1.505 -2.168 1.00 54.04 H new ATOM 0 HG11 VAL A 20 6.306 -0.025 -2.123 1.00 54.42 H new ATOM 0 HG12 VAL A 20 5.776 -0.481 -0.487 1.00 54.42 H new ATOM 0 HG13 VAL A 20 7.201 -1.263 -1.211 1.00 54.42 H new ATOM 0 HG21 VAL A 20 5.950 -1.547 -4.034 1.00 13.24 H new ATOM 0 HG22 VAL A 20 6.826 -2.872 -3.232 1.00 13.24 H new ATOM 0 HG23 VAL A 20 5.159 -3.124 -3.802 1.00 13.24 H new ATOM 339 N SER A 21 2.907 -3.928 -1.547 1.00 35.24 N ATOM 340 CA SER A 21 1.903 -4.810 -2.170 1.00 73.04 C ATOM 341 C SER A 21 0.843 -4.007 -2.931 1.00 55.22 C ATOM 342 O SER A 21 0.609 -2.831 -2.645 1.00 43.33 O ATOM 343 CB SER A 21 1.215 -5.677 -1.109 1.00 1.11 C ATOM 344 OG SER A 21 2.154 -6.469 -0.403 1.00 24.12 O ATOM 0 H SER A 21 2.513 -3.134 -1.043 1.00 35.24 H new ATOM 0 HA SER A 21 2.430 -5.449 -2.879 1.00 73.04 H new ATOM 0 HB2 SER A 21 0.675 -5.039 -0.409 1.00 1.11 H new ATOM 0 HB3 SER A 21 0.477 -6.322 -1.586 1.00 1.11 H new ATOM 0 HG SER A 21 2.775 -5.886 0.082 1.00 24.12 H new ATOM 350 N THR A 22 0.207 -4.648 -3.907 1.00 72.22 N ATOM 351 CA THR A 22 -0.889 -4.025 -4.657 1.00 31.01 C ATOM 352 C THR A 22 -2.252 -4.385 -4.053 1.00 54.05 C ATOM 353 O THR A 22 -2.404 -5.422 -3.400 1.00 4.52 O ATOM 354 CB THR A 22 -0.885 -4.445 -6.149 1.00 51.22 C ATOM 355 OG1 THR A 22 -1.123 -5.857 -6.269 1.00 31.21 O ATOM 356 CG2 THR A 22 0.442 -4.090 -6.815 1.00 34.11 C ATOM 0 H THR A 22 0.429 -5.599 -4.200 1.00 72.22 H new ATOM 0 HA THR A 22 -0.728 -2.949 -4.591 1.00 31.01 H new ATOM 0 HB THR A 22 -1.683 -3.900 -6.653 1.00 51.22 H new ATOM 0 HG1 THR A 22 -0.339 -6.349 -5.946 1.00 31.21 H new ATOM 0 HG21 THR A 22 0.417 -4.396 -7.861 1.00 34.11 H new ATOM 0 HG22 THR A 22 0.603 -3.014 -6.755 1.00 34.11 H new ATOM 0 HG23 THR A 22 1.255 -4.607 -6.305 1.00 34.11 H new ATOM 364 N TYR A 23 -3.245 -3.526 -4.282 1.00 22.23 N ATOM 365 CA TYR A 23 -4.605 -3.743 -3.767 1.00 71.43 C ATOM 366 C TYR A 23 -5.176 -5.102 -4.213 1.00 43.12 C ATOM 367 O TYR A 23 -5.927 -5.740 -3.475 1.00 74.53 O ATOM 368 CB TYR A 23 -5.532 -2.608 -4.227 1.00 21.22 C ATOM 369 CG TYR A 23 -5.069 -1.234 -3.780 1.00 75.24 C ATOM 370 CD1 TYR A 23 -5.380 -0.752 -2.515 1.00 34.32 C ATOM 371 CD2 TYR A 23 -4.312 -0.424 -4.621 1.00 4.35 C ATOM 372 CE1 TYR A 23 -4.951 0.493 -2.100 1.00 10.44 C ATOM 373 CE2 TYR A 23 -3.876 0.821 -4.210 1.00 71.23 C ATOM 374 CZ TYR A 23 -4.200 1.275 -2.950 1.00 30.43 C ATOM 375 OH TYR A 23 -3.764 2.516 -2.536 1.00 63.53 O ATOM 0 H TYR A 23 -3.136 -2.668 -4.823 1.00 22.23 H new ATOM 0 HA TYR A 23 -4.548 -3.748 -2.679 1.00 71.43 H new ATOM 0 HB2 TYR A 23 -5.602 -2.624 -5.315 1.00 21.22 H new ATOM 0 HB3 TYR A 23 -6.535 -2.789 -3.841 1.00 21.22 H new ATOM 0 HD1 TYR A 23 -5.968 -1.362 -1.844 1.00 34.32 H new ATOM 0 HD2 TYR A 23 -4.061 -0.774 -5.611 1.00 4.35 H new ATOM 0 HE1 TYR A 23 -5.203 0.852 -1.113 1.00 10.44 H new ATOM 0 HE2 TYR A 23 -3.284 1.435 -4.873 1.00 71.23 H new ATOM 0 HH TYR A 23 -3.633 2.509 -1.565 1.00 63.53 H new ATOM 385 N GLY A 24 -4.810 -5.536 -5.420 1.00 31.21 N ATOM 386 CA GLY A 24 -5.266 -6.830 -5.931 1.00 75.03 C ATOM 387 C GLY A 24 -4.751 -8.006 -5.108 1.00 14.24 C ATOM 388 O GLY A 24 -5.500 -8.940 -4.806 1.00 11.11 O ATOM 0 H GLY A 24 -4.205 -5.017 -6.057 1.00 31.21 H new ATOM 0 HA2 GLY A 24 -6.356 -6.848 -5.940 1.00 75.03 H new ATOM 0 HA3 GLY A 24 -4.937 -6.944 -6.964 1.00 75.03 H new ATOM 392 N GLU A 25 -3.470 -7.957 -4.744 1.00 62.51 N ATOM 393 CA GLU A 25 -2.855 -8.991 -3.903 1.00 65.23 C ATOM 394 C GLU A 25 -3.523 -9.050 -2.522 1.00 44.10 C ATOM 395 O GLU A 25 -3.994 -10.106 -2.090 1.00 73.32 O ATOM 396 CB GLU A 25 -1.350 -8.713 -3.745 1.00 22.41 C ATOM 397 CG GLU A 25 -0.569 -8.794 -5.051 1.00 51.23 C ATOM 398 CD GLU A 25 0.888 -8.374 -4.901 1.00 65.02 C ATOM 399 OE1 GLU A 25 1.178 -7.170 -5.050 1.00 41.05 O ATOM 400 OE2 GLU A 25 1.745 -9.247 -4.638 1.00 55.42 O ATOM 0 H GLU A 25 -2.833 -7.209 -5.019 1.00 62.51 H new ATOM 0 HA GLU A 25 -2.996 -9.955 -4.392 1.00 65.23 H new ATOM 0 HB2 GLU A 25 -1.217 -7.721 -3.314 1.00 22.41 H new ATOM 0 HB3 GLU A 25 -0.930 -9.427 -3.037 1.00 22.41 H new ATOM 0 HG2 GLU A 25 -0.610 -9.815 -5.429 1.00 51.23 H new ATOM 0 HG3 GLU A 25 -1.050 -8.159 -5.795 1.00 51.23 H new ATOM 407 N ILE A 26 -3.566 -7.905 -1.839 1.00 50.02 N ATOM 408 CA ILE A 26 -4.178 -7.812 -0.508 1.00 42.34 C ATOM 409 C ILE A 26 -5.626 -8.325 -0.518 1.00 35.14 C ATOM 410 O ILE A 26 -6.006 -9.155 0.313 1.00 11.31 O ATOM 411 CB ILE A 26 -4.155 -6.353 0.017 1.00 45.32 C ATOM 412 CG1 ILE A 26 -2.710 -5.828 0.086 1.00 15.33 C ATOM 413 CG2 ILE A 26 -4.835 -6.250 1.383 1.00 71.32 C ATOM 414 CD1 ILE A 26 -1.804 -6.632 0.997 1.00 51.54 C ATOM 0 H ILE A 26 -3.184 -7.025 -2.185 1.00 50.02 H new ATOM 0 HA ILE A 26 -3.587 -8.441 0.157 1.00 42.34 H new ATOM 0 HB ILE A 26 -4.714 -5.732 -0.682 1.00 45.32 H new ATOM 0 HG12 ILE A 26 -2.287 -5.825 -0.919 1.00 15.33 H new ATOM 0 HG13 ILE A 26 -2.726 -4.793 0.428 1.00 15.33 H new ATOM 0 HG21 ILE A 26 -4.805 -5.216 1.728 1.00 71.32 H new ATOM 0 HG22 ILE A 26 -5.872 -6.574 1.298 1.00 71.32 H new ATOM 0 HG23 ILE A 26 -4.313 -6.886 2.098 1.00 71.32 H new ATOM 0 HD11 ILE A 26 -0.804 -6.198 0.991 1.00 51.54 H new ATOM 0 HD12 ILE A 26 -2.201 -6.615 2.012 1.00 51.54 H new ATOM 0 HD13 ILE A 26 -1.755 -7.662 0.644 1.00 51.54 H new ATOM 426 N ALA A 27 -6.422 -7.838 -1.470 1.00 3.30 N ATOM 427 CA ALA A 27 -7.813 -8.271 -1.614 1.00 5.12 C ATOM 428 C ALA A 27 -7.915 -9.793 -1.804 1.00 14.42 C ATOM 429 O ALA A 27 -8.758 -10.448 -1.189 1.00 25.12 O ATOM 430 CB ALA A 27 -8.471 -7.542 -2.781 1.00 45.30 C ATOM 0 H ALA A 27 -6.127 -7.142 -2.155 1.00 3.30 H new ATOM 0 HA ALA A 27 -8.340 -8.019 -0.694 1.00 5.12 H new ATOM 0 HB1 ALA A 27 -9.505 -7.872 -2.879 1.00 45.30 H new ATOM 0 HB2 ALA A 27 -8.448 -6.468 -2.598 1.00 45.30 H new ATOM 0 HB3 ALA A 27 -7.930 -7.765 -3.701 1.00 45.30 H new ATOM 436 N LYS A 28 -7.041 -10.353 -2.642 1.00 24.20 N ATOM 437 CA LYS A 28 -7.047 -11.794 -2.911 1.00 71.41 C ATOM 438 C LYS A 28 -6.765 -12.614 -1.637 1.00 61.53 C ATOM 439 O LYS A 28 -7.567 -13.468 -1.254 1.00 31.21 O ATOM 440 CB LYS A 28 -6.026 -12.144 -4.003 1.00 23.45 C ATOM 441 CG LYS A 28 -5.996 -13.633 -4.341 1.00 43.41 C ATOM 442 CD LYS A 28 -5.022 -13.954 -5.471 1.00 43.01 C ATOM 443 CE LYS A 28 -5.019 -15.445 -5.791 1.00 34.35 C ATOM 444 NZ LYS A 28 -4.130 -15.773 -6.935 1.00 21.24 N ATOM 0 H LYS A 28 -6.322 -9.834 -3.145 1.00 24.20 H new ATOM 0 HA LYS A 28 -8.046 -12.055 -3.261 1.00 71.41 H new ATOM 0 HB2 LYS A 28 -6.259 -11.578 -4.905 1.00 23.45 H new ATOM 0 HB3 LYS A 28 -5.034 -11.831 -3.678 1.00 23.45 H new ATOM 0 HG2 LYS A 28 -5.716 -14.199 -3.452 1.00 43.41 H new ATOM 0 HG3 LYS A 28 -6.997 -13.959 -4.624 1.00 43.41 H new ATOM 0 HD2 LYS A 28 -5.296 -13.389 -6.362 1.00 43.01 H new ATOM 0 HD3 LYS A 28 -4.018 -13.638 -5.189 1.00 43.01 H new ATOM 0 HE2 LYS A 28 -4.697 -16.003 -4.912 1.00 34.35 H new ATOM 0 HE3 LYS A 28 -6.035 -15.768 -6.019 1.00 34.35 H new ATOM 0 HZ1 LYS A 28 -4.160 -16.797 -7.116 1.00 21.24 H new ATOM 0 HZ2 LYS A 28 -4.451 -15.262 -7.782 1.00 21.24 H new ATOM 0 HZ3 LYS A 28 -3.155 -15.490 -6.709 1.00 21.24 H new ATOM 458 N MET A 29 -5.635 -12.345 -0.977 1.00 33.12 N ATOM 459 CA MET A 29 -5.277 -13.061 0.259 1.00 31.40 C ATOM 460 C MET A 29 -6.311 -12.839 1.379 1.00 4.14 C ATOM 461 O MET A 29 -6.448 -13.672 2.282 1.00 14.42 O ATOM 462 CB MET A 29 -3.871 -12.662 0.746 1.00 54.51 C ATOM 463 CG MET A 29 -2.743 -13.465 0.103 1.00 42.42 C ATOM 464 SD MET A 29 -2.346 -12.925 -1.570 1.00 24.53 S ATOM 465 CE MET A 29 -1.366 -11.464 -1.226 1.00 65.11 C ATOM 0 H MET A 29 -4.955 -11.644 -1.271 1.00 33.12 H new ATOM 0 HA MET A 29 -5.275 -14.123 0.015 1.00 31.40 H new ATOM 0 HB2 MET A 29 -3.713 -11.603 0.541 1.00 54.51 H new ATOM 0 HB3 MET A 29 -3.823 -12.788 1.828 1.00 54.51 H new ATOM 0 HG2 MET A 29 -1.851 -13.386 0.724 1.00 42.42 H new ATOM 0 HG3 MET A 29 -3.023 -14.518 0.080 1.00 42.42 H new ATOM 0 HE1 MET A 29 -0.813 -11.178 -2.121 1.00 65.11 H new ATOM 0 HE2 MET A 29 -2.023 -10.647 -0.928 1.00 65.11 H new ATOM 0 HE3 MET A 29 -0.665 -11.678 -0.420 1.00 65.11 H new ATOM 475 N ALA A 30 -7.026 -11.715 1.324 1.00 24.32 N ATOM 476 CA ALA A 30 -8.084 -11.417 2.300 1.00 50.43 C ATOM 477 C ALA A 30 -9.373 -12.204 2.012 1.00 23.21 C ATOM 478 O ALA A 30 -10.210 -12.389 2.896 1.00 23.12 O ATOM 479 CB ALA A 30 -8.381 -9.922 2.318 1.00 74.43 C ATOM 0 H ALA A 30 -6.895 -10.993 0.615 1.00 24.32 H new ATOM 0 HA ALA A 30 -7.718 -11.727 3.279 1.00 50.43 H new ATOM 0 HB1 ALA A 30 -9.166 -9.716 3.045 1.00 74.43 H new ATOM 0 HB2 ALA A 30 -7.479 -9.375 2.593 1.00 74.43 H new ATOM 0 HB3 ALA A 30 -8.710 -9.605 1.329 1.00 74.43 H new ATOM 485 N GLY A 31 -9.526 -12.659 0.772 1.00 11.32 N ATOM 486 CA GLY A 31 -10.724 -13.400 0.378 1.00 63.03 C ATOM 487 C GLY A 31 -11.774 -12.525 -0.307 1.00 11.13 C ATOM 488 O GLY A 31 -12.956 -12.879 -0.354 1.00 11.10 O ATOM 0 H GLY A 31 -8.842 -12.530 0.026 1.00 11.32 H new ATOM 0 HA2 GLY A 31 -10.439 -14.208 -0.295 1.00 63.03 H new ATOM 0 HA3 GLY A 31 -11.165 -13.862 1.261 1.00 63.03 H new ATOM 492 N TYR A 32 -11.342 -11.384 -0.847 1.00 52.10 N ATOM 493 CA TYR A 32 -12.239 -10.451 -1.550 1.00 65.02 C ATOM 494 C TYR A 32 -11.626 -9.962 -2.884 1.00 51.00 C ATOM 495 O TYR A 32 -11.536 -8.753 -3.126 1.00 15.33 O ATOM 496 CB TYR A 32 -12.537 -9.238 -0.651 1.00 71.33 C ATOM 497 CG TYR A 32 -13.126 -9.592 0.704 1.00 11.32 C ATOM 498 CD1 TYR A 32 -12.302 -9.844 1.798 1.00 35.13 C ATOM 499 CD2 TYR A 32 -14.502 -9.669 0.891 1.00 21.54 C ATOM 500 CE1 TYR A 32 -12.831 -10.157 3.033 1.00 73.54 C ATOM 501 CE2 TYR A 32 -15.037 -9.979 2.127 1.00 44.33 C ATOM 502 CZ TYR A 32 -14.197 -10.225 3.192 1.00 33.55 C ATOM 503 OH TYR A 32 -14.725 -10.537 4.427 1.00 25.11 O ATOM 0 H TYR A 32 -10.370 -11.078 -0.813 1.00 52.10 H new ATOM 0 HA TYR A 32 -13.161 -10.986 -1.777 1.00 65.02 H new ATOM 0 HB2 TYR A 32 -11.614 -8.679 -0.498 1.00 71.33 H new ATOM 0 HB3 TYR A 32 -13.228 -8.576 -1.172 1.00 71.33 H new ATOM 0 HD1 TYR A 32 -11.230 -9.794 1.677 1.00 35.13 H new ATOM 0 HD2 TYR A 32 -15.163 -9.484 0.057 1.00 21.54 H new ATOM 0 HE1 TYR A 32 -12.177 -10.348 3.871 1.00 73.54 H new ATOM 0 HE2 TYR A 32 -16.108 -10.028 2.258 1.00 44.33 H new ATOM 0 HH TYR A 32 -15.703 -10.543 4.372 1.00 25.11 H new ATOM 513 N PRO A 33 -11.210 -10.881 -3.785 1.00 2.03 N ATOM 514 CA PRO A 33 -10.603 -10.494 -5.072 1.00 20.42 C ATOM 515 C PRO A 33 -11.575 -9.692 -5.957 1.00 45.32 C ATOM 516 O PRO A 33 -12.731 -10.078 -6.141 1.00 50.05 O ATOM 517 CB PRO A 33 -10.241 -11.842 -5.722 1.00 52.55 C ATOM 518 CG PRO A 33 -11.123 -12.843 -5.053 1.00 44.33 C ATOM 519 CD PRO A 33 -11.307 -12.348 -3.644 1.00 33.13 C ATOM 0 HA PRO A 33 -9.743 -9.837 -4.940 1.00 20.42 H new ATOM 0 HB2 PRO A 33 -10.414 -11.820 -6.798 1.00 52.55 H new ATOM 0 HB3 PRO A 33 -9.188 -12.082 -5.573 1.00 52.55 H new ATOM 0 HG2 PRO A 33 -12.081 -12.926 -5.567 1.00 44.33 H new ATOM 0 HG3 PRO A 33 -10.669 -13.834 -5.064 1.00 44.33 H new ATOM 0 HD2 PRO A 33 -12.271 -12.650 -3.234 1.00 33.13 H new ATOM 0 HD3 PRO A 33 -10.540 -12.740 -2.976 1.00 33.13 H new ATOM 527 N GLY A 34 -11.097 -8.578 -6.507 1.00 35.25 N ATOM 528 CA GLY A 34 -11.950 -7.706 -7.311 1.00 43.42 C ATOM 529 C GLY A 34 -12.384 -6.444 -6.567 1.00 40.31 C ATOM 530 O GLY A 34 -12.616 -5.401 -7.180 1.00 43.30 O ATOM 0 H GLY A 34 -10.133 -8.260 -6.412 1.00 35.25 H new ATOM 0 HA2 GLY A 34 -11.417 -7.421 -8.218 1.00 43.42 H new ATOM 0 HA3 GLY A 34 -12.835 -8.260 -7.623 1.00 43.42 H new ATOM 534 N TYR A 35 -12.475 -6.529 -5.240 1.00 11.31 N ATOM 535 CA TYR A 35 -12.885 -5.386 -4.409 1.00 24.42 C ATOM 536 C TYR A 35 -11.707 -4.436 -4.112 1.00 23.23 C ATOM 537 O TYR A 35 -11.711 -3.718 -3.111 1.00 31.11 O ATOM 538 CB TYR A 35 -13.498 -5.889 -3.091 1.00 11.21 C ATOM 539 CG TYR A 35 -14.799 -6.653 -3.273 1.00 3.43 C ATOM 540 CD1 TYR A 35 -14.797 -8.022 -3.529 1.00 72.30 C ATOM 541 CD2 TYR A 35 -16.028 -6.006 -3.187 1.00 60.43 C ATOM 542 CE1 TYR A 35 -15.978 -8.718 -3.701 1.00 55.43 C ATOM 543 CE2 TYR A 35 -17.213 -6.698 -3.355 1.00 64.51 C ATOM 544 CZ TYR A 35 -17.182 -8.052 -3.610 1.00 32.43 C ATOM 545 OH TYR A 35 -18.360 -8.745 -3.782 1.00 14.51 O ATOM 0 H TYR A 35 -12.271 -7.377 -4.712 1.00 11.31 H new ATOM 0 HA TYR A 35 -13.630 -4.822 -4.970 1.00 24.42 H new ATOM 0 HB2 TYR A 35 -12.777 -6.533 -2.588 1.00 11.21 H new ATOM 0 HB3 TYR A 35 -13.676 -5.037 -2.435 1.00 11.21 H new ATOM 0 HD1 TYR A 35 -13.856 -8.548 -3.594 1.00 72.30 H new ATOM 0 HD2 TYR A 35 -16.057 -4.945 -2.986 1.00 60.43 H new ATOM 0 HE1 TYR A 35 -15.958 -9.778 -3.906 1.00 55.43 H new ATOM 0 HE2 TYR A 35 -18.158 -6.180 -3.287 1.00 64.51 H new ATOM 0 HH TYR A 35 -19.118 -8.131 -3.686 1.00 14.51 H new ATOM 555 N ALA A 36 -10.727 -4.404 -5.015 1.00 25.01 N ATOM 556 CA ALA A 36 -9.520 -3.584 -4.845 1.00 41.41 C ATOM 557 C ALA A 36 -9.847 -2.091 -4.652 1.00 72.00 C ATOM 558 O ALA A 36 -9.218 -1.409 -3.840 1.00 74.35 O ATOM 559 CB ALA A 36 -8.592 -3.773 -6.039 1.00 52.11 C ATOM 0 H ALA A 36 -10.744 -4.941 -5.882 1.00 25.01 H new ATOM 0 HA ALA A 36 -9.021 -3.921 -3.936 1.00 41.41 H new ATOM 0 HB1 ALA A 36 -7.699 -3.162 -5.906 1.00 52.11 H new ATOM 0 HB2 ALA A 36 -8.306 -4.822 -6.115 1.00 52.11 H new ATOM 0 HB3 ALA A 36 -9.106 -3.470 -6.951 1.00 52.11 H new ATOM 565 N ARG A 37 -10.831 -1.590 -5.401 1.00 22.04 N ATOM 566 CA ARG A 37 -11.248 -0.184 -5.294 1.00 54.00 C ATOM 567 C ARG A 37 -11.744 0.141 -3.871 1.00 64.42 C ATOM 568 O ARG A 37 -11.571 1.261 -3.378 1.00 23.44 O ATOM 569 CB ARG A 37 -12.340 0.134 -6.332 1.00 3.03 C ATOM 570 CG ARG A 37 -13.702 -0.490 -6.027 1.00 21.53 C ATOM 571 CD ARG A 37 -14.705 -0.262 -7.156 1.00 20.11 C ATOM 572 NE ARG A 37 -14.398 -1.073 -8.335 1.00 15.50 N ATOM 573 CZ ARG A 37 -14.839 -0.819 -9.538 1.00 52.33 C ATOM 574 NH1 ARG A 37 -15.518 0.257 -9.783 1.00 22.22 N ATOM 575 NH2 ARG A 37 -14.579 -1.638 -10.504 1.00 41.12 N ATOM 0 H ARG A 37 -11.355 -2.133 -6.088 1.00 22.04 H new ATOM 0 HA ARG A 37 -10.380 0.442 -5.499 1.00 54.00 H new ATOM 0 HB2 ARG A 37 -12.456 1.216 -6.399 1.00 3.03 H new ATOM 0 HB3 ARG A 37 -12.006 -0.212 -7.310 1.00 3.03 H new ATOM 0 HG2 ARG A 37 -13.581 -1.560 -5.861 1.00 21.53 H new ATOM 0 HG3 ARG A 37 -14.095 -0.067 -5.103 1.00 21.53 H new ATOM 0 HD2 ARG A 37 -15.708 -0.501 -6.803 1.00 20.11 H new ATOM 0 HD3 ARG A 37 -14.707 0.793 -7.432 1.00 20.11 H new ATOM 0 HE ARG A 37 -13.801 -1.890 -8.209 1.00 15.50 H new ATOM 0 HH11 ARG A 37 -15.714 0.918 -9.032 1.00 22.22 H new ATOM 0 HH12 ARG A 37 -15.856 0.443 -10.727 1.00 22.22 H new ATOM 0 HH21 ARG A 37 -14.031 -2.480 -10.326 1.00 41.12 H new ATOM 0 HH22 ARG A 37 -14.922 -1.443 -11.445 1.00 41.12 H new ATOM 589 N HIS A 38 -12.342 -0.854 -3.211 1.00 33.11 N ATOM 590 CA HIS A 38 -12.824 -0.700 -1.834 1.00 11.20 C ATOM 591 C HIS A 38 -11.652 -0.703 -0.843 1.00 3.31 C ATOM 592 O HIS A 38 -11.629 0.079 0.107 1.00 70.33 O ATOM 593 CB HIS A 38 -13.812 -1.821 -1.482 1.00 24.34 C ATOM 594 CG HIS A 38 -15.058 -1.808 -2.313 1.00 30.24 C ATOM 595 ND1 HIS A 38 -16.198 -1.177 -1.884 1.00 52.43 N ATOM 596 CD2 HIS A 38 -15.288 -2.353 -3.531 1.00 1.02 C ATOM 597 CE1 HIS A 38 -17.089 -1.346 -2.842 1.00 33.42 C ATOM 598 NE2 HIS A 38 -16.585 -2.055 -3.861 1.00 13.13 N ATOM 0 H HIS A 38 -12.505 -1.779 -3.609 1.00 33.11 H new ATOM 0 HA HIS A 38 -13.338 0.259 -1.761 1.00 11.20 H new ATOM 0 HB2 HIS A 38 -13.315 -2.783 -1.604 1.00 24.34 H new ATOM 0 HB3 HIS A 38 -14.086 -1.735 -0.431 1.00 24.34 H new ATOM 0 HD2 HIS A 38 -14.585 -2.915 -4.128 1.00 1.02 H new ATOM 0 HE1 HIS A 38 -18.098 -0.961 -2.809 1.00 33.42 H new ATOM 0 HE2 HIS A 38 -17.072 -2.322 -4.717 1.00 13.13 H new ATOM 606 N VAL A 39 -10.679 -1.586 -1.077 1.00 44.13 N ATOM 607 CA VAL A 39 -9.455 -1.627 -0.266 1.00 63.32 C ATOM 608 C VAL A 39 -8.753 -0.258 -0.274 1.00 53.11 C ATOM 609 O VAL A 39 -8.282 0.222 0.760 1.00 22.22 O ATOM 610 CB VAL A 39 -8.470 -2.716 -0.772 1.00 62.21 C ATOM 611 CG1 VAL A 39 -7.237 -2.798 0.129 1.00 55.33 C ATOM 612 CG2 VAL A 39 -9.164 -4.077 -0.866 1.00 51.00 C ATOM 0 H VAL A 39 -10.713 -2.283 -1.821 1.00 44.13 H new ATOM 0 HA VAL A 39 -9.752 -1.877 0.753 1.00 63.32 H new ATOM 0 HB VAL A 39 -8.140 -2.433 -1.772 1.00 62.21 H new ATOM 0 HG11 VAL A 39 -6.563 -3.568 -0.246 1.00 55.33 H new ATOM 0 HG12 VAL A 39 -6.724 -1.836 0.132 1.00 55.33 H new ATOM 0 HG13 VAL A 39 -7.544 -3.049 1.144 1.00 55.33 H new ATOM 0 HG21 VAL A 39 -8.454 -4.823 -1.223 1.00 51.00 H new ATOM 0 HG22 VAL A 39 -9.532 -4.367 0.118 1.00 51.00 H new ATOM 0 HG23 VAL A 39 -10.001 -4.011 -1.561 1.00 51.00 H new ATOM 622 N GLY A 40 -8.701 0.367 -1.451 1.00 13.44 N ATOM 623 CA GLY A 40 -8.153 1.716 -1.571 1.00 34.20 C ATOM 624 C GLY A 40 -8.916 2.740 -0.732 1.00 52.01 C ATOM 625 O GLY A 40 -8.314 3.559 -0.034 1.00 34.14 O ATOM 0 H GLY A 40 -9.029 -0.037 -2.328 1.00 13.44 H new ATOM 0 HA2 GLY A 40 -7.107 1.707 -1.264 1.00 34.20 H new ATOM 0 HA3 GLY A 40 -8.175 2.021 -2.617 1.00 34.20 H new ATOM 629 N LYS A 41 -10.248 2.688 -0.792 1.00 24.31 N ATOM 630 CA LYS A 41 -11.097 3.580 0.011 1.00 64.43 C ATOM 631 C LYS A 41 -10.926 3.312 1.518 1.00 34.44 C ATOM 632 O LYS A 41 -11.015 4.228 2.339 1.00 23.41 O ATOM 633 CB LYS A 41 -12.571 3.416 -0.390 1.00 2.04 C ATOM 634 CG LYS A 41 -12.864 3.804 -1.838 1.00 44.30 C ATOM 635 CD LYS A 41 -14.336 3.604 -2.199 1.00 63.23 C ATOM 636 CE LYS A 41 -15.255 4.485 -1.356 1.00 44.04 C ATOM 637 NZ LYS A 41 -14.997 5.937 -1.566 1.00 25.33 N ATOM 0 H LYS A 41 -10.765 2.040 -1.386 1.00 24.31 H new ATOM 0 HA LYS A 41 -10.784 4.605 -0.187 1.00 64.43 H new ATOM 0 HB2 LYS A 41 -12.866 2.378 -0.235 1.00 2.04 H new ATOM 0 HB3 LYS A 41 -13.187 4.025 0.271 1.00 2.04 H new ATOM 0 HG2 LYS A 41 -12.591 4.847 -1.996 1.00 44.30 H new ATOM 0 HG3 LYS A 41 -12.243 3.207 -2.506 1.00 44.30 H new ATOM 0 HD2 LYS A 41 -14.485 3.830 -3.255 1.00 63.23 H new ATOM 0 HD3 LYS A 41 -14.606 2.558 -2.056 1.00 63.23 H new ATOM 0 HE2 LYS A 41 -16.293 4.264 -1.603 1.00 44.04 H new ATOM 0 HE3 LYS A 41 -15.119 4.243 -0.302 1.00 44.04 H new ATOM 0 HZ1 LYS A 41 -15.739 6.493 -1.095 1.00 25.33 H new ATOM 0 HZ2 LYS A 41 -14.070 6.186 -1.166 1.00 25.33 H new ATOM 0 HZ3 LYS A 41 -15.002 6.147 -2.585 1.00 25.33 H new ATOM 651 N ALA A 42 -10.684 2.051 1.869 1.00 43.54 N ATOM 652 CA ALA A 42 -10.452 1.657 3.264 1.00 5.51 C ATOM 653 C ALA A 42 -9.144 2.256 3.807 1.00 1.44 C ATOM 654 O ALA A 42 -9.115 2.830 4.902 1.00 20.43 O ATOM 655 CB ALA A 42 -10.429 0.137 3.380 1.00 71.20 C ATOM 0 H ALA A 42 -10.643 1.278 1.205 1.00 43.54 H new ATOM 0 HA ALA A 42 -11.271 2.049 3.867 1.00 5.51 H new ATOM 0 HB1 ALA A 42 -10.256 -0.146 4.418 1.00 71.20 H new ATOM 0 HB2 ALA A 42 -11.385 -0.268 3.048 1.00 71.20 H new ATOM 0 HB3 ALA A 42 -9.629 -0.263 2.757 1.00 71.20 H new ATOM 661 N LEU A 43 -8.066 2.119 3.035 1.00 25.04 N ATOM 662 CA LEU A 43 -6.764 2.685 3.412 1.00 15.15 C ATOM 663 C LEU A 43 -6.796 4.220 3.393 1.00 73.13 C ATOM 664 O LEU A 43 -6.223 4.876 4.263 1.00 32.35 O ATOM 665 CB LEU A 43 -5.664 2.166 2.477 1.00 75.35 C ATOM 666 CG LEU A 43 -5.469 0.639 2.486 1.00 55.14 C ATOM 667 CD1 LEU A 43 -4.340 0.227 1.549 1.00 73.42 C ATOM 668 CD2 LEU A 43 -5.206 0.135 3.905 1.00 62.43 C ATOM 0 H LEU A 43 -8.065 1.622 2.144 1.00 25.04 H new ATOM 0 HA LEU A 43 -6.544 2.365 4.430 1.00 15.15 H new ATOM 0 HB2 LEU A 43 -5.894 2.482 1.459 1.00 75.35 H new ATOM 0 HB3 LEU A 43 -4.721 2.639 2.752 1.00 75.35 H new ATOM 0 HG LEU A 43 -6.390 0.180 2.126 1.00 55.14 H new ATOM 0 HD11 LEU A 43 -4.223 -0.856 1.574 1.00 73.42 H new ATOM 0 HD12 LEU A 43 -4.577 0.543 0.533 1.00 73.42 H new ATOM 0 HD13 LEU A 43 -3.411 0.700 1.869 1.00 73.42 H new ATOM 0 HD21 LEU A 43 -5.071 -0.946 3.888 1.00 62.43 H new ATOM 0 HD22 LEU A 43 -4.305 0.607 4.298 1.00 62.43 H new ATOM 0 HD23 LEU A 43 -6.054 0.385 4.543 1.00 62.43 H new ATOM 680 N GLY A 44 -7.488 4.790 2.406 1.00 51.32 N ATOM 681 CA GLY A 44 -7.645 6.241 2.333 1.00 35.31 C ATOM 682 C GLY A 44 -8.422 6.822 3.516 1.00 24.02 C ATOM 683 O GLY A 44 -8.439 8.033 3.723 1.00 2.44 O ATOM 0 H GLY A 44 -7.944 4.274 1.653 1.00 51.32 H new ATOM 0 HA2 GLY A 44 -6.660 6.705 2.290 1.00 35.31 H new ATOM 0 HA3 GLY A 44 -8.159 6.499 1.407 1.00 35.31 H new ATOM 687 N ASN A 45 -9.074 5.952 4.286 1.00 72.14 N ATOM 688 CA ASN A 45 -9.827 6.366 5.477 1.00 13.21 C ATOM 689 C ASN A 45 -8.959 6.259 6.752 1.00 34.31 C ATOM 690 O ASN A 45 -9.353 6.715 7.829 1.00 13.24 O ATOM 691 CB ASN A 45 -11.093 5.500 5.601 1.00 65.04 C ATOM 692 CG ASN A 45 -12.009 5.946 6.728 1.00 73.23 C ATOM 693 OD1 ASN A 45 -12.871 6.798 6.544 1.00 42.21 O ATOM 694 ND2 ASN A 45 -11.846 5.359 7.897 1.00 42.13 N ATOM 0 H ASN A 45 -9.098 4.948 4.107 1.00 72.14 H new ATOM 0 HA ASN A 45 -10.115 7.412 5.369 1.00 13.21 H new ATOM 0 HB2 ASN A 45 -11.642 5.532 4.660 1.00 65.04 H new ATOM 0 HB3 ASN A 45 -10.802 4.462 5.766 1.00 65.04 H new ATOM 0 HD21 ASN A 45 -12.447 5.610 8.682 1.00 42.13 H new ATOM 0 HD22 ASN A 45 -11.119 4.654 8.017 1.00 42.13 H new ATOM 701 N LEU A 46 -7.768 5.673 6.620 1.00 20.34 N ATOM 702 CA LEU A 46 -6.866 5.459 7.763 1.00 71.22 C ATOM 703 C LEU A 46 -6.040 6.709 8.108 1.00 14.52 C ATOM 704 O LEU A 46 -5.642 7.475 7.225 1.00 35.21 O ATOM 705 CB LEU A 46 -5.917 4.285 7.478 1.00 22.55 C ATOM 706 CG LEU A 46 -6.560 2.891 7.534 1.00 33.25 C ATOM 707 CD1 LEU A 46 -5.568 1.826 7.085 1.00 13.00 C ATOM 708 CD2 LEU A 46 -7.062 2.591 8.947 1.00 41.21 C ATOM 0 H LEU A 46 -7.400 5.335 5.730 1.00 20.34 H new ATOM 0 HA LEU A 46 -7.497 5.233 8.622 1.00 71.22 H new ATOM 0 HB2 LEU A 46 -5.479 4.425 6.490 1.00 22.55 H new ATOM 0 HB3 LEU A 46 -5.099 4.318 8.197 1.00 22.55 H new ATOM 0 HG LEU A 46 -7.411 2.877 6.854 1.00 33.25 H new ATOM 0 HD11 LEU A 46 -6.041 0.845 7.131 1.00 13.00 H new ATOM 0 HD12 LEU A 46 -5.254 2.030 6.061 1.00 13.00 H new ATOM 0 HD13 LEU A 46 -4.697 1.840 7.741 1.00 13.00 H new ATOM 0 HD21 LEU A 46 -7.515 1.600 8.969 1.00 41.21 H new ATOM 0 HD22 LEU A 46 -6.225 2.624 9.645 1.00 41.21 H new ATOM 0 HD23 LEU A 46 -7.804 3.335 9.235 1.00 41.21 H new ATOM 720 N PRO A 47 -5.775 6.934 9.411 1.00 40.21 N ATOM 721 CA PRO A 47 -4.873 8.002 9.859 1.00 21.23 C ATOM 722 C PRO A 47 -3.400 7.662 9.571 1.00 51.13 C ATOM 723 O PRO A 47 -2.990 6.503 9.663 1.00 63.13 O ATOM 724 CB PRO A 47 -5.136 8.076 11.368 1.00 52.35 C ATOM 725 CG PRO A 47 -5.580 6.701 11.740 1.00 41.14 C ATOM 726 CD PRO A 47 -6.340 6.175 10.549 1.00 32.31 C ATOM 0 HA PRO A 47 -5.052 8.946 9.344 1.00 21.23 H new ATOM 0 HB2 PRO A 47 -4.237 8.364 11.913 1.00 52.35 H new ATOM 0 HB3 PRO A 47 -5.901 8.816 11.601 1.00 52.35 H new ATOM 0 HG2 PRO A 47 -4.726 6.064 11.971 1.00 41.14 H new ATOM 0 HG3 PRO A 47 -6.212 6.722 12.628 1.00 41.14 H new ATOM 0 HD2 PRO A 47 -6.197 5.102 10.425 1.00 32.31 H new ATOM 0 HD3 PRO A 47 -7.412 6.344 10.651 1.00 32.31 H new ATOM 734 N GLU A 48 -2.602 8.669 9.225 1.00 13.22 N ATOM 735 CA GLU A 48 -1.204 8.437 8.850 1.00 12.42 C ATOM 736 C GLU A 48 -0.373 7.898 10.028 1.00 54.11 C ATOM 737 O GLU A 48 0.619 7.201 9.824 1.00 55.23 O ATOM 738 CB GLU A 48 -0.576 9.717 8.278 1.00 5.32 C ATOM 739 CG GLU A 48 -0.412 10.851 9.283 1.00 5.05 C ATOM 740 CD GLU A 48 0.150 12.114 8.647 1.00 12.31 C ATOM 741 OE1 GLU A 48 1.296 12.079 8.147 1.00 11.34 O ATOM 742 OE2 GLU A 48 -0.547 13.148 8.642 1.00 13.30 O ATOM 0 H GLU A 48 -2.893 9.646 9.195 1.00 13.22 H new ATOM 0 HA GLU A 48 -1.198 7.671 8.075 1.00 12.42 H new ATOM 0 HB2 GLU A 48 0.402 9.472 7.865 1.00 5.32 H new ATOM 0 HB3 GLU A 48 -1.192 10.069 7.451 1.00 5.32 H new ATOM 0 HG2 GLU A 48 -1.378 11.074 9.735 1.00 5.05 H new ATOM 0 HG3 GLU A 48 0.249 10.527 10.087 1.00 5.05 H new ATOM 749 N GLY A 49 -0.790 8.212 11.255 1.00 13.43 N ATOM 750 CA GLY A 49 -0.100 7.703 12.440 1.00 34.42 C ATOM 751 C GLY A 49 -0.617 6.345 12.922 1.00 44.24 C ATOM 752 O GLY A 49 -0.422 5.978 14.084 1.00 52.45 O ATOM 0 H GLY A 49 -1.593 8.809 11.453 1.00 13.43 H new ATOM 0 HA2 GLY A 49 0.964 7.619 12.221 1.00 34.42 H new ATOM 0 HA3 GLY A 49 -0.203 8.428 13.248 1.00 34.42 H new ATOM 756 N SER A 50 -1.277 5.597 12.036 1.00 30.41 N ATOM 757 CA SER A 50 -1.814 4.266 12.375 1.00 23.24 C ATOM 758 C SER A 50 -0.706 3.209 12.503 1.00 35.55 C ATOM 759 O SER A 50 0.331 3.297 11.844 1.00 63.33 O ATOM 760 CB SER A 50 -2.819 3.819 11.303 1.00 13.32 C ATOM 761 OG SER A 50 -3.265 2.489 11.524 1.00 35.04 O ATOM 0 H SER A 50 -1.456 5.886 11.074 1.00 30.41 H new ATOM 0 HA SER A 50 -2.308 4.354 13.343 1.00 23.24 H new ATOM 0 HB2 SER A 50 -3.675 4.494 11.302 1.00 13.32 H new ATOM 0 HB3 SER A 50 -2.356 3.889 10.319 1.00 13.32 H new ATOM 0 HG SER A 50 -3.904 2.238 10.825 1.00 35.04 H new ATOM 767 N LYS A 51 -0.940 2.206 13.352 1.00 4.14 N ATOM 768 CA LYS A 51 -0.007 1.080 13.509 1.00 4.15 C ATOM 769 C LYS A 51 0.089 0.268 12.211 1.00 31.10 C ATOM 770 O LYS A 51 1.179 -0.097 11.763 1.00 51.22 O ATOM 771 CB LYS A 51 -0.470 0.166 14.653 1.00 24.02 C ATOM 772 CG LYS A 51 0.404 -1.073 14.845 1.00 4.33 C ATOM 773 CD LYS A 51 -0.196 -2.046 15.856 1.00 2.51 C ATOM 774 CE LYS A 51 -0.358 -1.416 17.235 1.00 72.34 C ATOM 775 NZ LYS A 51 -1.022 -2.340 18.190 1.00 4.13 N ATOM 0 H LYS A 51 -1.769 2.148 13.944 1.00 4.14 H new ATOM 0 HA LYS A 51 0.978 1.485 13.743 1.00 4.15 H new ATOM 0 HB2 LYS A 51 -0.482 0.738 15.581 1.00 24.02 H new ATOM 0 HB3 LYS A 51 -1.495 -0.150 14.461 1.00 24.02 H new ATOM 0 HG2 LYS A 51 0.532 -1.578 13.888 1.00 4.33 H new ATOM 0 HG3 LYS A 51 1.396 -0.769 15.180 1.00 4.33 H new ATOM 0 HD2 LYS A 51 -1.167 -2.387 15.498 1.00 2.51 H new ATOM 0 HD3 LYS A 51 0.442 -2.926 15.933 1.00 2.51 H new ATOM 0 HE2 LYS A 51 0.621 -1.134 17.623 1.00 72.34 H new ATOM 0 HE3 LYS A 51 -0.943 -0.500 17.150 1.00 72.34 H new ATOM 0 HZ1 LYS A 51 -1.114 -1.875 19.116 1.00 4.13 H new ATOM 0 HZ2 LYS A 51 -1.966 -2.589 17.832 1.00 4.13 H new ATOM 0 HZ3 LYS A 51 -0.451 -3.204 18.291 1.00 4.13 H new ATOM 789 N LEU A 52 -1.071 -0.028 11.631 1.00 43.03 N ATOM 790 CA LEU A 52 -1.154 -0.718 10.342 1.00 22.12 C ATOM 791 C LEU A 52 -0.420 0.062 9.241 1.00 61.43 C ATOM 792 O LEU A 52 -0.807 1.188 8.915 1.00 12.13 O ATOM 793 CB LEU A 52 -2.626 -0.888 9.944 1.00 61.34 C ATOM 794 CG LEU A 52 -2.867 -1.474 8.544 1.00 15.44 C ATOM 795 CD1 LEU A 52 -2.393 -2.922 8.471 1.00 5.14 C ATOM 796 CD2 LEU A 52 -4.336 -1.365 8.164 1.00 61.24 C ATOM 0 H LEU A 52 -1.978 0.202 12.037 1.00 43.03 H new ATOM 0 HA LEU A 52 -0.677 -1.692 10.450 1.00 22.12 H new ATOM 0 HB2 LEU A 52 -3.111 -1.532 10.677 1.00 61.34 H new ATOM 0 HB3 LEU A 52 -3.115 0.085 10.001 1.00 61.34 H new ATOM 0 HG LEU A 52 -2.285 -0.894 7.827 1.00 15.44 H new ATOM 0 HD11 LEU A 52 -2.574 -3.314 7.470 1.00 5.14 H new ATOM 0 HD12 LEU A 52 -1.326 -2.967 8.691 1.00 5.14 H new ATOM 0 HD13 LEU A 52 -2.939 -3.521 9.200 1.00 5.14 H new ATOM 0 HD21 LEU A 52 -4.487 -1.785 7.170 1.00 61.24 H new ATOM 0 HD22 LEU A 52 -4.940 -1.915 8.886 1.00 61.24 H new ATOM 0 HD23 LEU A 52 -4.635 -0.317 8.164 1.00 61.24 H new ATOM 808 N PRO A 53 0.642 -0.514 8.642 1.00 62.35 N ATOM 809 CA PRO A 53 1.365 0.156 7.557 1.00 63.10 C ATOM 810 C PRO A 53 0.554 0.174 6.249 1.00 21.34 C ATOM 811 O PRO A 53 0.594 -0.765 5.457 1.00 42.44 O ATOM 812 CB PRO A 53 2.638 -0.694 7.406 1.00 41.41 C ATOM 813 CG PRO A 53 2.243 -2.053 7.886 1.00 12.40 C ATOM 814 CD PRO A 53 1.217 -1.834 8.971 1.00 35.54 C ATOM 0 HA PRO A 53 1.567 1.205 7.775 1.00 63.10 H new ATOM 0 HB2 PRO A 53 2.975 -0.722 6.370 1.00 41.41 H new ATOM 0 HB3 PRO A 53 3.458 -0.288 7.997 1.00 41.41 H new ATOM 0 HG2 PRO A 53 1.828 -2.648 7.072 1.00 12.40 H new ATOM 0 HG3 PRO A 53 3.106 -2.596 8.270 1.00 12.40 H new ATOM 0 HD2 PRO A 53 0.457 -2.615 8.968 1.00 35.54 H new ATOM 0 HD3 PRO A 53 1.673 -1.837 9.961 1.00 35.54 H new ATOM 822 N TRP A 54 -0.170 1.264 6.027 1.00 14.23 N ATOM 823 CA TRP A 54 -0.978 1.430 4.812 1.00 44.31 C ATOM 824 C TRP A 54 -0.117 1.934 3.644 1.00 21.10 C ATOM 825 O TRP A 54 -0.407 1.675 2.475 1.00 73.44 O ATOM 826 CB TRP A 54 -2.132 2.408 5.085 1.00 52.51 C ATOM 827 CG TRP A 54 -1.669 3.754 5.577 1.00 64.13 C ATOM 828 CD1 TRP A 54 -1.444 4.121 6.874 1.00 35.15 C ATOM 829 CD2 TRP A 54 -1.369 4.905 4.777 1.00 64.12 C ATOM 830 NE1 TRP A 54 -1.016 5.424 6.928 1.00 14.03 N ATOM 831 CE2 TRP A 54 -0.964 5.929 5.654 1.00 42.23 C ATOM 832 CE3 TRP A 54 -1.404 5.166 3.404 1.00 72.14 C ATOM 833 CZ2 TRP A 54 -0.595 7.194 5.199 1.00 34.30 C ATOM 834 CZ3 TRP A 54 -1.035 6.419 2.956 1.00 31.30 C ATOM 835 CH2 TRP A 54 -0.636 7.419 3.849 1.00 42.23 C ATOM 0 H TRP A 54 -0.218 2.053 6.672 1.00 14.23 H new ATOM 0 HA TRP A 54 -1.388 0.459 4.533 1.00 44.31 H new ATOM 0 HB2 TRP A 54 -2.709 2.542 4.170 1.00 52.51 H new ATOM 0 HB3 TRP A 54 -2.803 1.970 5.824 1.00 52.51 H new ATOM 0 HD1 TRP A 54 -1.583 3.479 7.732 1.00 35.15 H new ATOM 0 HE1 TRP A 54 -0.776 5.934 7.778 1.00 14.03 H new ATOM 0 HE3 TRP A 54 -1.714 4.402 2.707 1.00 72.14 H new ATOM 0 HZ2 TRP A 54 -0.288 7.968 5.886 1.00 34.30 H new ATOM 0 HZ3 TRP A 54 -1.055 6.631 1.897 1.00 31.30 H new ATOM 0 HH2 TRP A 54 -0.354 8.389 3.466 1.00 42.23 H new ATOM 846 N PHE A 55 0.958 2.638 3.987 1.00 44.52 N ATOM 847 CA PHE A 55 1.842 3.261 3.000 1.00 34.34 C ATOM 848 C PHE A 55 2.521 2.237 2.073 1.00 41.03 C ATOM 849 O PHE A 55 2.962 2.586 0.979 1.00 3.05 O ATOM 850 CB PHE A 55 2.892 4.136 3.709 1.00 73.52 C ATOM 851 CG PHE A 55 3.626 3.450 4.842 1.00 5.14 C ATOM 852 CD1 PHE A 55 4.799 2.748 4.606 1.00 12.12 C ATOM 853 CD2 PHE A 55 3.147 3.522 6.144 1.00 73.23 C ATOM 854 CE1 PHE A 55 5.475 2.131 5.641 1.00 3.24 C ATOM 855 CE2 PHE A 55 3.820 2.904 7.183 1.00 53.14 C ATOM 856 CZ PHE A 55 4.987 2.209 6.930 1.00 41.32 C ATOM 0 H PHE A 55 1.243 2.794 4.954 1.00 44.52 H new ATOM 0 HA PHE A 55 1.219 3.888 2.362 1.00 34.34 H new ATOM 0 HB2 PHE A 55 3.622 4.473 2.973 1.00 73.52 H new ATOM 0 HB3 PHE A 55 2.399 5.026 4.100 1.00 73.52 H new ATOM 0 HD1 PHE A 55 5.189 2.683 3.601 1.00 12.12 H new ATOM 0 HD2 PHE A 55 2.237 4.067 6.348 1.00 73.23 H new ATOM 0 HE1 PHE A 55 6.386 1.587 5.441 1.00 3.24 H new ATOM 0 HE2 PHE A 55 3.434 2.965 8.190 1.00 53.14 H new ATOM 0 HZ PHE A 55 5.516 1.728 7.739 1.00 41.32 H new ATOM 866 N ARG A 56 2.588 0.974 2.495 1.00 54.34 N ATOM 867 CA ARG A 56 3.241 -0.068 1.686 1.00 70.12 C ATOM 868 C ARG A 56 2.337 -0.580 0.547 1.00 33.43 C ATOM 869 O ARG A 56 2.726 -1.476 -0.198 1.00 54.04 O ATOM 870 CB ARG A 56 3.680 -1.258 2.561 1.00 22.40 C ATOM 871 CG ARG A 56 4.662 -0.898 3.674 1.00 64.22 C ATOM 872 CD ARG A 56 5.311 -2.146 4.281 1.00 34.21 C ATOM 873 NE ARG A 56 6.075 -1.851 5.494 1.00 22.15 N ATOM 874 CZ ARG A 56 7.221 -1.235 5.529 1.00 2.05 C ATOM 875 NH1 ARG A 56 7.804 -0.829 4.445 1.00 52.14 N ATOM 876 NH2 ARG A 56 7.790 -1.039 6.668 1.00 31.21 N ATOM 0 H ARG A 56 2.204 0.645 3.381 1.00 54.34 H new ATOM 0 HA ARG A 56 4.119 0.399 1.240 1.00 70.12 H new ATOM 0 HB2 ARG A 56 2.795 -1.710 3.007 1.00 22.40 H new ATOM 0 HB3 ARG A 56 4.136 -2.014 1.922 1.00 22.40 H new ATOM 0 HG2 ARG A 56 5.436 -0.241 3.278 1.00 64.22 H new ATOM 0 HG3 ARG A 56 4.141 -0.343 4.454 1.00 64.22 H new ATOM 0 HD2 ARG A 56 4.537 -2.877 4.513 1.00 34.21 H new ATOM 0 HD3 ARG A 56 5.970 -2.603 3.543 1.00 34.21 H new ATOM 0 HE ARG A 56 5.677 -2.152 6.384 1.00 22.15 H new ATOM 0 HH11 ARG A 56 7.365 -0.990 3.539 1.00 52.14 H new ATOM 0 HH12 ARG A 56 8.702 -0.348 4.498 1.00 52.14 H new ATOM 0 HH21 ARG A 56 7.342 -1.365 7.525 1.00 31.21 H new ATOM 0 HH22 ARG A 56 8.688 -0.558 6.713 1.00 31.21 H new ATOM 890 N VAL A 57 1.136 -0.021 0.408 1.00 45.43 N ATOM 891 CA VAL A 57 0.201 -0.465 -0.632 1.00 73.44 C ATOM 892 C VAL A 57 0.035 0.589 -1.743 1.00 23.52 C ATOM 893 O VAL A 57 -0.304 1.745 -1.478 1.00 22.32 O ATOM 894 CB VAL A 57 -1.187 -0.806 -0.034 1.00 44.22 C ATOM 895 CG1 VAL A 57 -2.102 -1.403 -1.101 1.00 75.42 C ATOM 896 CG2 VAL A 57 -1.045 -1.758 1.156 1.00 54.22 C ATOM 0 H VAL A 57 0.786 0.735 0.996 1.00 45.43 H new ATOM 0 HA VAL A 57 0.631 -1.365 -1.071 1.00 73.44 H new ATOM 0 HB VAL A 57 -1.641 0.118 0.324 1.00 44.22 H new ATOM 0 HG11 VAL A 57 -3.071 -1.635 -0.660 1.00 75.42 H new ATOM 0 HG12 VAL A 57 -2.234 -0.685 -1.910 1.00 75.42 H new ATOM 0 HG13 VAL A 57 -1.654 -2.315 -1.495 1.00 75.42 H new ATOM 0 HG21 VAL A 57 -2.031 -1.984 1.561 1.00 54.22 H new ATOM 0 HG22 VAL A 57 -0.567 -2.681 0.828 1.00 54.22 H new ATOM 0 HG23 VAL A 57 -0.436 -1.288 1.928 1.00 54.22 H new ATOM 906 N ILE A 58 0.276 0.180 -2.990 1.00 70.43 N ATOM 907 CA ILE A 58 0.146 1.072 -4.154 1.00 71.42 C ATOM 908 C ILE A 58 -0.647 0.403 -5.295 1.00 54.42 C ATOM 909 O ILE A 58 -1.051 -0.760 -5.187 1.00 32.33 O ATOM 910 CB ILE A 58 1.535 1.538 -4.672 1.00 21.33 C ATOM 911 CG1 ILE A 58 2.455 0.332 -4.929 1.00 50.31 C ATOM 912 CG2 ILE A 58 2.179 2.513 -3.684 1.00 20.31 C ATOM 913 CD1 ILE A 58 3.844 0.714 -5.397 1.00 55.13 C ATOM 0 H ILE A 58 0.565 -0.770 -3.225 1.00 70.43 H new ATOM 0 HA ILE A 58 -0.408 1.949 -3.819 1.00 71.42 H new ATOM 0 HB ILE A 58 1.389 2.059 -5.618 1.00 21.33 H new ATOM 0 HG12 ILE A 58 2.538 -0.252 -4.012 1.00 50.31 H new ATOM 0 HG13 ILE A 58 1.994 -0.313 -5.677 1.00 50.31 H new ATOM 0 HG21 ILE A 58 3.151 2.828 -4.065 1.00 20.31 H new ATOM 0 HG22 ILE A 58 1.537 3.385 -3.563 1.00 20.31 H new ATOM 0 HG23 ILE A 58 2.309 2.021 -2.720 1.00 20.31 H new ATOM 0 HD11 ILE A 58 4.435 -0.188 -5.557 1.00 55.13 H new ATOM 0 HD12 ILE A 58 3.773 1.272 -6.331 1.00 55.13 H new ATOM 0 HD13 ILE A 58 4.325 1.333 -4.640 1.00 55.13 H new ATOM 925 N ASN A 59 -0.882 1.141 -6.383 1.00 34.42 N ATOM 926 CA ASN A 59 -1.723 0.646 -7.486 1.00 44.44 C ATOM 927 C ASN A 59 -0.964 -0.303 -8.436 1.00 61.53 C ATOM 928 O ASN A 59 0.236 -0.536 -8.285 1.00 62.12 O ATOM 929 CB ASN A 59 -2.323 1.822 -8.275 1.00 3.34 C ATOM 930 CG ASN A 59 -1.274 2.725 -8.909 1.00 73.42 C ATOM 931 OD1 ASN A 59 -0.177 2.297 -9.240 1.00 32.14 O ATOM 932 ND2 ASN A 59 -1.618 3.978 -9.107 1.00 53.34 N ATOM 0 H ASN A 59 -0.506 2.078 -6.527 1.00 34.42 H new ATOM 0 HA ASN A 59 -2.527 0.066 -7.032 1.00 44.44 H new ATOM 0 HB2 ASN A 59 -2.974 1.430 -9.056 1.00 3.34 H new ATOM 0 HB3 ASN A 59 -2.947 2.416 -7.608 1.00 3.34 H new ATOM 0 HD21 ASN A 59 -0.963 4.623 -9.548 1.00 53.34 H new ATOM 0 HD22 ASN A 59 -2.540 4.305 -8.820 1.00 53.34 H new ATOM 939 N SER A 60 -1.681 -0.826 -9.434 1.00 12.34 N ATOM 940 CA SER A 60 -1.117 -1.796 -10.390 1.00 32.35 C ATOM 941 C SER A 60 -0.040 -1.173 -11.294 1.00 53.04 C ATOM 942 O SER A 60 0.747 -1.889 -11.916 1.00 61.52 O ATOM 943 CB SER A 60 -2.233 -2.395 -11.260 1.00 32.34 C ATOM 944 OG SER A 60 -2.937 -1.386 -11.973 1.00 64.12 O ATOM 0 H SER A 60 -2.660 -0.595 -9.606 1.00 12.34 H new ATOM 0 HA SER A 60 -0.641 -2.580 -9.801 1.00 32.35 H new ATOM 0 HB2 SER A 60 -1.804 -3.107 -11.965 1.00 32.34 H new ATOM 0 HB3 SER A 60 -2.929 -2.949 -10.630 1.00 32.34 H new ATOM 0 HG SER A 60 -3.639 -1.800 -12.518 1.00 64.12 H new ATOM 950 N GLN A 61 -0.010 0.156 -11.372 1.00 43.02 N ATOM 951 CA GLN A 61 1.003 0.864 -12.166 1.00 72.32 C ATOM 952 C GLN A 61 2.307 1.038 -11.372 1.00 61.12 C ATOM 953 O GLN A 61 3.340 1.429 -11.922 1.00 70.33 O ATOM 954 CB GLN A 61 0.487 2.249 -12.579 1.00 42.41 C ATOM 955 CG GLN A 61 -0.804 2.226 -13.391 1.00 5.44 C ATOM 956 CD GLN A 61 -1.272 3.622 -13.780 1.00 31.44 C ATOM 957 OE1 GLN A 61 -1.027 4.595 -13.073 1.00 12.44 O ATOM 958 NE2 GLN A 61 -1.949 3.735 -14.903 1.00 52.02 N ATOM 0 H GLN A 61 -0.674 0.768 -10.897 1.00 43.02 H new ATOM 0 HA GLN A 61 1.203 0.263 -13.053 1.00 72.32 H new ATOM 0 HB2 GLN A 61 0.326 2.846 -11.681 1.00 42.41 H new ATOM 0 HB3 GLN A 61 1.259 2.752 -13.162 1.00 42.41 H new ATOM 0 HG2 GLN A 61 -0.652 1.633 -14.293 1.00 5.44 H new ATOM 0 HG3 GLN A 61 -1.585 1.732 -12.812 1.00 5.44 H new ATOM 0 HE21 GLN A 61 -2.138 2.908 -15.470 1.00 52.02 H new ATOM 0 HE22 GLN A 61 -2.285 4.649 -15.206 1.00 52.02 H new ATOM 967 N GLY A 62 2.251 0.744 -10.077 1.00 12.32 N ATOM 968 CA GLY A 62 3.376 1.019 -9.201 1.00 34.53 C ATOM 969 C GLY A 62 3.512 2.505 -8.912 1.00 73.40 C ATOM 970 O GLY A 62 4.584 3.084 -9.070 1.00 11.03 O ATOM 0 H GLY A 62 1.445 0.319 -9.618 1.00 12.32 H new ATOM 0 HA2 GLY A 62 3.249 0.476 -8.264 1.00 34.53 H new ATOM 0 HA3 GLY A 62 4.294 0.652 -9.661 1.00 34.53 H new ATOM 974 N LYS A 63 2.404 3.128 -8.524 1.00 4.41 N ATOM 975 CA LYS A 63 2.376 4.560 -8.206 1.00 63.24 C ATOM 976 C LYS A 63 1.595 4.821 -6.911 1.00 22.15 C ATOM 977 O LYS A 63 0.765 4.006 -6.495 1.00 4.04 O ATOM 978 CB LYS A 63 1.732 5.357 -9.351 1.00 12.11 C ATOM 979 CG LYS A 63 2.449 5.244 -10.694 1.00 4.35 C ATOM 980 CD LYS A 63 1.739 6.060 -11.774 1.00 55.22 C ATOM 981 CE LYS A 63 2.392 5.895 -13.141 1.00 21.50 C ATOM 982 NZ LYS A 63 1.696 6.690 -14.187 1.00 34.13 N ATOM 0 H LYS A 63 1.503 2.662 -8.420 1.00 4.41 H new ATOM 0 HA LYS A 63 3.407 4.886 -8.072 1.00 63.24 H new ATOM 0 HB2 LYS A 63 0.703 5.020 -9.475 1.00 12.11 H new ATOM 0 HB3 LYS A 63 1.691 6.408 -9.065 1.00 12.11 H new ATOM 0 HG2 LYS A 63 3.477 5.591 -10.590 1.00 4.35 H new ATOM 0 HG3 LYS A 63 2.495 4.198 -10.997 1.00 4.35 H new ATOM 0 HD2 LYS A 63 0.695 5.752 -11.832 1.00 55.22 H new ATOM 0 HD3 LYS A 63 1.746 7.114 -11.495 1.00 55.22 H new ATOM 0 HE2 LYS A 63 3.436 6.204 -13.085 1.00 21.50 H new ATOM 0 HE3 LYS A 63 2.386 4.842 -13.421 1.00 21.50 H new ATOM 0 HZ1 LYS A 63 2.170 6.551 -15.102 1.00 34.13 H new ATOM 0 HZ2 LYS A 63 0.706 6.378 -14.259 1.00 34.13 H new ATOM 0 HZ3 LYS A 63 1.724 7.698 -13.933 1.00 34.13 H new ATOM 996 N ILE A 64 1.858 5.962 -6.282 1.00 41.44 N ATOM 997 CA ILE A 64 1.149 6.359 -5.063 1.00 5.12 C ATOM 998 C ILE A 64 -0.296 6.782 -5.381 1.00 63.53 C ATOM 999 O ILE A 64 -0.525 7.723 -6.143 1.00 20.23 O ATOM 1000 CB ILE A 64 1.888 7.520 -4.350 1.00 52.25 C ATOM 1001 CG1 ILE A 64 3.328 7.101 -4.011 1.00 65.32 C ATOM 1002 CG2 ILE A 64 1.135 7.947 -3.088 1.00 1.32 C ATOM 1003 CD1 ILE A 64 4.151 8.199 -3.370 1.00 31.42 C ATOM 0 H ILE A 64 2.559 6.633 -6.595 1.00 41.44 H new ATOM 0 HA ILE A 64 1.124 5.495 -4.399 1.00 5.12 H new ATOM 0 HB ILE A 64 1.925 8.376 -5.024 1.00 52.25 H new ATOM 0 HG12 ILE A 64 3.298 6.243 -3.339 1.00 65.32 H new ATOM 0 HG13 ILE A 64 3.825 6.773 -4.924 1.00 65.32 H new ATOM 0 HG21 ILE A 64 1.671 8.763 -2.603 1.00 1.32 H new ATOM 0 HG22 ILE A 64 0.133 8.281 -3.358 1.00 1.32 H new ATOM 0 HG23 ILE A 64 1.064 7.102 -2.403 1.00 1.32 H new ATOM 0 HD11 ILE A 64 5.154 7.827 -3.161 1.00 31.42 H new ATOM 0 HD12 ILE A 64 4.214 9.050 -4.048 1.00 31.42 H new ATOM 0 HD13 ILE A 64 3.678 8.512 -2.439 1.00 31.42 H new ATOM 1015 N SER A 65 -1.264 6.073 -4.801 1.00 70.34 N ATOM 1016 CA SER A 65 -2.689 6.344 -5.052 1.00 53.10 C ATOM 1017 C SER A 65 -3.111 7.719 -4.522 1.00 34.24 C ATOM 1018 O SER A 65 -3.827 8.463 -5.196 1.00 53.52 O ATOM 1019 CB SER A 65 -3.561 5.255 -4.413 1.00 51.21 C ATOM 1020 OG SER A 65 -3.187 3.964 -4.869 1.00 3.33 O ATOM 0 H SER A 65 -1.092 5.305 -4.153 1.00 70.34 H new ATOM 0 HA SER A 65 -2.833 6.340 -6.132 1.00 53.10 H new ATOM 0 HB2 SER A 65 -3.468 5.301 -3.328 1.00 51.21 H new ATOM 0 HB3 SER A 65 -4.609 5.438 -4.651 1.00 51.21 H new ATOM 0 HG SER A 65 -3.372 3.303 -4.169 1.00 3.33 H new ATOM 1026 N LEU A 66 -2.673 8.051 -3.309 1.00 71.23 N ATOM 1027 CA LEU A 66 -2.979 9.353 -2.708 1.00 63.12 C ATOM 1028 C LEU A 66 -2.135 10.464 -3.349 1.00 33.54 C ATOM 1029 O LEU A 66 -0.910 10.451 -3.265 1.00 11.24 O ATOM 1030 CB LEU A 66 -2.738 9.314 -1.191 1.00 4.01 C ATOM 1031 CG LEU A 66 -3.598 8.304 -0.409 1.00 22.31 C ATOM 1032 CD1 LEU A 66 -3.291 8.376 1.084 1.00 62.30 C ATOM 1033 CD2 LEU A 66 -5.087 8.542 -0.668 1.00 53.14 C ATOM 0 H LEU A 66 -2.106 7.439 -2.722 1.00 71.23 H new ATOM 0 HA LEU A 66 -4.031 9.571 -2.892 1.00 63.12 H new ATOM 0 HB2 LEU A 66 -1.687 9.084 -1.013 1.00 4.01 H new ATOM 0 HB3 LEU A 66 -2.920 10.310 -0.786 1.00 4.01 H new ATOM 0 HG LEU A 66 -3.349 7.303 -0.760 1.00 22.31 H new ATOM 0 HD11 LEU A 66 -3.909 7.654 1.618 1.00 62.30 H new ATOM 0 HD12 LEU A 66 -2.239 8.146 1.251 1.00 62.30 H new ATOM 0 HD13 LEU A 66 -3.505 9.380 1.452 1.00 62.30 H new ATOM 0 HD21 LEU A 66 -5.675 7.817 -0.105 1.00 53.14 H new ATOM 0 HD22 LEU A 66 -5.355 9.550 -0.351 1.00 53.14 H new ATOM 0 HD23 LEU A 66 -5.294 8.429 -1.732 1.00 53.14 H new ATOM 1045 N LYS A 67 -2.799 11.419 -3.994 1.00 31.34 N ATOM 1046 CA LYS A 67 -2.109 12.504 -4.702 1.00 61.22 C ATOM 1047 C LYS A 67 -2.267 13.850 -3.973 1.00 24.22 C ATOM 1048 O LYS A 67 -3.066 13.975 -3.043 1.00 64.23 O ATOM 1049 CB LYS A 67 -2.637 12.593 -6.139 1.00 13.41 C ATOM 1050 CG LYS A 67 -2.441 11.297 -6.923 1.00 63.04 C ATOM 1051 CD LYS A 67 -3.082 11.353 -8.306 1.00 34.00 C ATOM 1052 CE LYS A 67 -2.893 10.041 -9.060 1.00 14.22 C ATOM 1053 NZ LYS A 67 -3.524 10.067 -10.409 1.00 41.41 N ATOM 0 H LYS A 67 -3.817 11.467 -4.044 1.00 31.34 H new ATOM 0 HA LYS A 67 -1.043 12.279 -4.724 1.00 61.22 H new ATOM 0 HB2 LYS A 67 -3.698 12.842 -6.117 1.00 13.41 H new ATOM 0 HB3 LYS A 67 -2.130 13.406 -6.658 1.00 13.41 H new ATOM 0 HG2 LYS A 67 -1.375 11.096 -7.027 1.00 63.04 H new ATOM 0 HG3 LYS A 67 -2.868 10.467 -6.361 1.00 63.04 H new ATOM 0 HD2 LYS A 67 -4.146 11.568 -8.207 1.00 34.00 H new ATOM 0 HD3 LYS A 67 -2.644 12.170 -8.879 1.00 34.00 H new ATOM 0 HE2 LYS A 67 -1.828 9.835 -9.164 1.00 14.22 H new ATOM 0 HE3 LYS A 67 -3.320 9.225 -8.477 1.00 14.22 H new ATOM 0 HZ1 LYS A 67 -3.369 9.154 -10.882 1.00 41.41 H new ATOM 0 HZ2 LYS A 67 -4.545 10.237 -10.311 1.00 41.41 H new ATOM 0 HZ3 LYS A 67 -3.099 10.828 -10.976 1.00 41.41 H new ATOM 1067 N GLY A 68 -1.512 14.856 -4.412 1.00 14.50 N ATOM 1068 CA GLY A 68 -1.470 16.134 -3.706 1.00 41.11 C ATOM 1069 C GLY A 68 -0.422 16.136 -2.599 1.00 35.14 C ATOM 1070 O GLY A 68 0.718 15.721 -2.816 1.00 31.22 O ATOM 0 H GLY A 68 -0.926 14.811 -5.246 1.00 14.50 H new ATOM 0 HA2 GLY A 68 -1.252 16.933 -4.414 1.00 41.11 H new ATOM 0 HA3 GLY A 68 -2.450 16.345 -3.279 1.00 41.11 H new ATOM 1074 N ARG A 69 -0.796 16.588 -1.406 1.00 13.41 N ATOM 1075 CA ARG A 69 0.109 16.527 -0.251 1.00 42.14 C ATOM 1076 C ARG A 69 0.089 15.132 0.388 1.00 54.31 C ATOM 1077 O ARG A 69 1.068 14.704 1.011 1.00 31.44 O ATOM 1078 CB ARG A 69 -0.249 17.591 0.794 1.00 15.24 C ATOM 1079 CG ARG A 69 0.049 19.019 0.349 1.00 24.24 C ATOM 1080 CD ARG A 69 -0.099 20.006 1.501 1.00 21.45 C ATOM 1081 NE ARG A 69 0.815 19.698 2.600 1.00 44.21 N ATOM 1082 CZ ARG A 69 0.491 19.740 3.865 1.00 3.45 C ATOM 1083 NH1 ARG A 69 -0.700 20.084 4.236 1.00 13.51 N ATOM 1084 NH2 ARG A 69 1.364 19.442 4.762 1.00 72.32 N ATOM 0 H ARG A 69 -1.709 16.998 -1.209 1.00 13.41 H new ATOM 0 HA ARG A 69 1.116 16.730 -0.615 1.00 42.14 H new ATOM 0 HB2 ARG A 69 -1.309 17.509 1.033 1.00 15.24 H new ATOM 0 HB3 ARG A 69 0.302 17.384 1.712 1.00 15.24 H new ATOM 0 HG2 ARG A 69 1.062 19.073 -0.050 1.00 24.24 H new ATOM 0 HG3 ARG A 69 -0.627 19.298 -0.459 1.00 24.24 H new ATOM 0 HD2 ARG A 69 0.093 21.017 1.141 1.00 21.45 H new ATOM 0 HD3 ARG A 69 -1.126 19.987 1.866 1.00 21.45 H new ATOM 0 HE ARG A 69 1.771 19.432 2.363 1.00 44.21 H new ATOM 0 HH11 ARG A 69 -1.402 20.327 3.537 1.00 13.51 H new ATOM 0 HH12 ARG A 69 -0.937 20.112 5.228 1.00 13.51 H new ATOM 0 HH21 ARG A 69 2.308 19.173 4.485 1.00 72.32 H new ATOM 0 HH22 ARG A 69 1.112 19.475 5.750 1.00 72.32 H new ATOM 1098 N ASP A 70 -1.027 14.419 0.224 1.00 53.45 N ATOM 1099 CA ASP A 70 -1.129 13.031 0.680 1.00 10.21 C ATOM 1100 C ASP A 70 -0.143 12.132 -0.083 1.00 31.52 C ATOM 1101 O ASP A 70 0.169 11.018 0.351 1.00 2.52 O ATOM 1102 CB ASP A 70 -2.562 12.517 0.523 1.00 21.21 C ATOM 1103 CG ASP A 70 -3.521 13.201 1.481 1.00 41.14 C ATOM 1104 OD1 ASP A 70 -3.566 12.805 2.666 1.00 71.44 O ATOM 1105 OD2 ASP A 70 -4.230 14.139 1.059 1.00 23.25 O ATOM 0 H ASP A 70 -1.872 14.779 -0.220 1.00 53.45 H new ATOM 0 HA ASP A 70 -0.867 13.000 1.738 1.00 10.21 H new ATOM 0 HB2 ASP A 70 -2.895 12.681 -0.502 1.00 21.21 H new ATOM 0 HB3 ASP A 70 -2.582 11.441 0.697 1.00 21.21 H new ATOM 1110 N LEU A 71 0.347 12.630 -1.216 1.00 61.51 N ATOM 1111 CA LEU A 71 1.392 11.943 -1.973 1.00 1.14 C ATOM 1112 C LEU A 71 2.688 11.896 -1.152 1.00 50.11 C ATOM 1113 O LEU A 71 3.257 10.830 -0.954 1.00 71.14 O ATOM 1114 CB LEU A 71 1.611 12.638 -3.333 1.00 72.13 C ATOM 1115 CG LEU A 71 2.476 11.868 -4.359 1.00 62.41 C ATOM 1116 CD1 LEU A 71 2.176 12.344 -5.779 1.00 0.30 C ATOM 1117 CD2 LEU A 71 3.968 12.024 -4.064 1.00 35.44 C ATOM 0 H LEU A 71 0.037 13.509 -1.631 1.00 61.51 H new ATOM 0 HA LEU A 71 1.079 10.918 -2.170 1.00 1.14 H new ATOM 0 HB2 LEU A 71 0.636 12.830 -3.781 1.00 72.13 H new ATOM 0 HB3 LEU A 71 2.075 13.608 -3.152 1.00 72.13 H new ATOM 0 HG LEU A 71 2.221 10.812 -4.274 1.00 62.41 H new ATOM 0 HD11 LEU A 71 2.794 11.791 -6.486 1.00 0.30 H new ATOM 0 HD12 LEU A 71 1.124 12.173 -6.005 1.00 0.30 H new ATOM 0 HD13 LEU A 71 2.396 13.408 -5.860 1.00 0.30 H new ATOM 0 HD21 LEU A 71 4.545 11.470 -4.804 1.00 35.44 H new ATOM 0 HD22 LEU A 71 4.239 13.079 -4.108 1.00 35.44 H new ATOM 0 HD23 LEU A 71 4.185 11.634 -3.069 1.00 35.44 H new ATOM 1129 N ASP A 72 3.136 13.058 -0.662 1.00 51.21 N ATOM 1130 CA ASP A 72 4.328 13.133 0.198 1.00 1.24 C ATOM 1131 C ASP A 72 4.113 12.376 1.522 1.00 54.12 C ATOM 1132 O ASP A 72 5.052 11.830 2.099 1.00 44.14 O ATOM 1133 CB ASP A 72 4.688 14.591 0.483 1.00 12.00 C ATOM 1134 CG ASP A 72 5.028 15.352 -0.784 1.00 34.03 C ATOM 1135 OD1 ASP A 72 6.175 15.241 -1.262 1.00 64.04 O ATOM 1136 OD2 ASP A 72 4.148 16.068 -1.307 1.00 12.34 O ATOM 0 H ASP A 72 2.694 13.959 -0.845 1.00 51.21 H new ATOM 0 HA ASP A 72 5.152 12.658 -0.335 1.00 1.24 H new ATOM 0 HB2 ASP A 72 3.853 15.079 0.985 1.00 12.00 H new ATOM 0 HB3 ASP A 72 5.536 14.628 1.166 1.00 12.00 H new ATOM 1141 N ARG A 73 2.872 12.366 1.992 1.00 74.03 N ATOM 1142 CA ARG A 73 2.471 11.584 3.168 1.00 71.44 C ATOM 1143 C ARG A 73 2.926 10.112 3.033 1.00 62.35 C ATOM 1144 O ARG A 73 3.777 9.629 3.796 1.00 23.54 O ATOM 1145 CB ARG A 73 0.942 11.695 3.301 1.00 33.12 C ATOM 1146 CG ARG A 73 0.290 10.874 4.410 1.00 51.13 C ATOM 1147 CD ARG A 73 -1.230 11.074 4.386 1.00 12.21 C ATOM 1148 NE ARG A 73 -1.950 10.149 5.261 1.00 15.35 N ATOM 1149 CZ ARG A 73 -3.252 9.982 5.235 1.00 44.45 C ATOM 1150 NH1 ARG A 73 -3.991 10.665 4.417 1.00 1.21 N ATOM 1151 NH2 ARG A 73 -3.813 9.131 6.034 1.00 73.43 N ATOM 0 H ARG A 73 2.110 12.898 1.572 1.00 74.03 H new ATOM 0 HA ARG A 73 2.949 11.973 4.067 1.00 71.44 H new ATOM 0 HB2 ARG A 73 0.689 12.743 3.460 1.00 33.12 H new ATOM 0 HB3 ARG A 73 0.495 11.400 2.351 1.00 33.12 H new ATOM 0 HG2 ARG A 73 0.528 9.818 4.280 1.00 51.13 H new ATOM 0 HG3 ARG A 73 0.689 11.174 5.379 1.00 51.13 H new ATOM 0 HD2 ARG A 73 -1.459 12.097 4.683 1.00 12.21 H new ATOM 0 HD3 ARG A 73 -1.589 10.951 3.364 1.00 12.21 H new ATOM 0 HE ARG A 73 -1.409 9.602 5.930 1.00 15.35 H new ATOM 0 HH11 ARG A 73 -3.562 11.341 3.785 1.00 1.21 H new ATOM 0 HH12 ARG A 73 -5.002 10.527 4.406 1.00 1.21 H new ATOM 0 HH21 ARG A 73 -3.243 8.590 6.684 1.00 73.43 H new ATOM 0 HH22 ARG A 73 -4.825 9.002 6.013 1.00 73.43 H new ATOM 1165 N GLN A 74 2.384 9.417 2.034 1.00 64.23 N ATOM 1166 CA GLN A 74 2.747 8.020 1.772 1.00 32.34 C ATOM 1167 C GLN A 74 4.204 7.912 1.283 1.00 65.42 C ATOM 1168 O GLN A 74 4.963 7.047 1.728 1.00 72.42 O ATOM 1169 CB GLN A 74 1.788 7.420 0.731 1.00 62.54 C ATOM 1170 CG GLN A 74 1.881 5.901 0.621 1.00 65.10 C ATOM 1171 CD GLN A 74 0.923 5.303 -0.399 1.00 23.23 C ATOM 1172 OE1 GLN A 74 -0.128 5.863 -0.692 1.00 72.53 O ATOM 1173 NE2 GLN A 74 1.266 4.144 -0.922 1.00 73.32 N ATOM 0 H GLN A 74 1.690 9.797 1.390 1.00 64.23 H new ATOM 0 HA GLN A 74 2.662 7.459 2.703 1.00 32.34 H new ATOM 0 HB2 GLN A 74 0.766 7.696 0.989 1.00 62.54 H new ATOM 0 HB3 GLN A 74 2.000 7.860 -0.243 1.00 62.54 H new ATOM 0 HG2 GLN A 74 2.901 5.627 0.353 1.00 65.10 H new ATOM 0 HG3 GLN A 74 1.679 5.462 1.598 1.00 65.10 H new ATOM 0 HE21 GLN A 74 2.148 3.706 -0.656 1.00 73.32 H new ATOM 0 HE22 GLN A 74 0.650 3.685 -1.593 1.00 73.32 H new ATOM 1182 N LYS A 75 4.578 8.815 0.376 1.00 73.13 N ATOM 1183 CA LYS A 75 5.936 8.882 -0.187 1.00 20.44 C ATOM 1184 C LYS A 75 7.015 8.847 0.901 1.00 73.20 C ATOM 1185 O LYS A 75 7.836 7.936 0.939 1.00 11.22 O ATOM 1186 CB LYS A 75 6.079 10.172 -1.010 1.00 54.34 C ATOM 1187 CG LYS A 75 7.482 10.444 -1.549 1.00 62.01 C ATOM 1188 CD LYS A 75 7.555 11.806 -2.241 1.00 31.43 C ATOM 1189 CE LYS A 75 8.964 12.127 -2.725 1.00 51.05 C ATOM 1190 NZ LYS A 75 9.041 13.473 -3.352 1.00 22.24 N ATOM 0 H LYS A 75 3.947 9.526 0.006 1.00 73.13 H new ATOM 0 HA LYS A 75 6.079 8.006 -0.820 1.00 20.44 H new ATOM 0 HB2 LYS A 75 5.386 10.127 -1.850 1.00 54.34 H new ATOM 0 HB3 LYS A 75 5.775 11.016 -0.390 1.00 54.34 H new ATOM 0 HG2 LYS A 75 8.201 10.410 -0.731 1.00 62.01 H new ATOM 0 HG3 LYS A 75 7.762 9.660 -2.253 1.00 62.01 H new ATOM 0 HD2 LYS A 75 6.869 11.819 -3.088 1.00 31.43 H new ATOM 0 HD3 LYS A 75 7.224 12.582 -1.550 1.00 31.43 H new ATOM 0 HE2 LYS A 75 9.657 12.078 -1.885 1.00 51.05 H new ATOM 0 HE3 LYS A 75 9.282 11.372 -3.445 1.00 51.05 H new ATOM 0 HZ1 LYS A 75 10.015 13.654 -3.668 1.00 22.24 H new ATOM 0 HZ2 LYS A 75 8.399 13.513 -4.169 1.00 22.24 H new ATOM 0 HZ3 LYS A 75 8.763 14.196 -2.658 1.00 22.24 H new ATOM 1204 N GLN A 76 6.997 9.838 1.789 1.00 52.33 N ATOM 1205 CA GLN A 76 8.024 9.967 2.826 1.00 52.21 C ATOM 1206 C GLN A 76 7.991 8.801 3.822 1.00 51.02 C ATOM 1207 O GLN A 76 9.036 8.379 4.323 1.00 53.43 O ATOM 1208 CB GLN A 76 7.874 11.305 3.553 1.00 63.40 C ATOM 1209 CG GLN A 76 8.090 12.513 2.645 1.00 34.42 C ATOM 1210 CD GLN A 76 7.971 13.833 3.378 1.00 1.15 C ATOM 1211 OE1 GLN A 76 7.232 13.953 4.349 1.00 42.02 O ATOM 1212 NE2 GLN A 76 8.700 14.834 2.923 1.00 14.11 N ATOM 0 H GLN A 76 6.283 10.566 1.813 1.00 52.33 H new ATOM 0 HA GLN A 76 8.995 9.936 2.333 1.00 52.21 H new ATOM 0 HB2 GLN A 76 6.878 11.363 3.992 1.00 63.40 H new ATOM 0 HB3 GLN A 76 8.588 11.346 4.376 1.00 63.40 H new ATOM 0 HG2 GLN A 76 9.077 12.445 2.188 1.00 34.42 H new ATOM 0 HG3 GLN A 76 7.361 12.487 1.835 1.00 34.42 H new ATOM 0 HE21 GLN A 76 9.304 14.698 2.112 1.00 14.11 H new ATOM 0 HE22 GLN A 76 8.660 15.744 3.382 1.00 14.11 H new ATOM 1221 N LYS A 77 6.800 8.274 4.119 1.00 2.35 N ATOM 1222 CA LYS A 77 6.703 7.060 4.943 1.00 1.21 C ATOM 1223 C LYS A 77 7.431 5.874 4.283 1.00 22.22 C ATOM 1224 O LYS A 77 7.938 4.982 4.966 1.00 14.14 O ATOM 1225 CB LYS A 77 5.244 6.707 5.217 1.00 3.25 C ATOM 1226 CG LYS A 77 4.599 7.616 6.253 1.00 4.23 C ATOM 1227 CD LYS A 77 3.152 7.233 6.505 1.00 30.12 C ATOM 1228 CE LYS A 77 2.519 8.088 7.597 1.00 74.31 C ATOM 1229 NZ LYS A 77 3.166 7.884 8.922 1.00 72.31 N ATOM 0 H LYS A 77 5.906 8.656 3.811 1.00 2.35 H new ATOM 0 HA LYS A 77 7.194 7.267 5.894 1.00 1.21 H new ATOM 0 HB2 LYS A 77 4.680 6.768 4.286 1.00 3.25 H new ATOM 0 HB3 LYS A 77 5.184 5.674 5.560 1.00 3.25 H new ATOM 0 HG2 LYS A 77 5.159 7.560 7.186 1.00 4.23 H new ATOM 0 HG3 LYS A 77 4.649 8.650 5.913 1.00 4.23 H new ATOM 0 HD2 LYS A 77 2.582 7.342 5.582 1.00 30.12 H new ATOM 0 HD3 LYS A 77 3.099 6.182 6.790 1.00 30.12 H new ATOM 0 HE2 LYS A 77 2.590 9.139 7.319 1.00 74.31 H new ATOM 0 HE3 LYS A 77 1.458 7.849 7.673 1.00 74.31 H new ATOM 0 HZ1 LYS A 77 2.445 7.618 9.623 1.00 72.31 H new ATOM 0 HZ2 LYS A 77 3.875 7.126 8.849 1.00 72.31 H new ATOM 0 HZ3 LYS A 77 3.631 8.765 9.221 1.00 72.31 H new ATOM 1243 N LEU A 78 7.476 5.878 2.952 1.00 73.43 N ATOM 1244 CA LEU A 78 8.207 4.863 2.187 1.00 51.33 C ATOM 1245 C LEU A 78 9.688 5.246 2.010 1.00 5.24 C ATOM 1246 O LEU A 78 10.570 4.383 2.006 1.00 43.03 O ATOM 1247 CB LEU A 78 7.538 4.670 0.821 1.00 62.20 C ATOM 1248 CG LEU A 78 6.113 4.097 0.876 1.00 52.41 C ATOM 1249 CD1 LEU A 78 5.430 4.205 -0.482 1.00 52.34 C ATOM 1250 CD2 LEU A 78 6.139 2.645 1.348 1.00 22.32 C ATOM 0 H LEU A 78 7.011 6.579 2.374 1.00 73.43 H new ATOM 0 HA LEU A 78 8.176 3.926 2.743 1.00 51.33 H new ATOM 0 HB2 LEU A 78 7.508 5.631 0.308 1.00 62.20 H new ATOM 0 HB3 LEU A 78 8.158 4.006 0.219 1.00 62.20 H new ATOM 0 HG LEU A 78 5.538 4.685 1.592 1.00 52.41 H new ATOM 0 HD11 LEU A 78 4.423 3.793 -0.417 1.00 52.34 H new ATOM 0 HD12 LEU A 78 5.375 5.252 -0.779 1.00 52.34 H new ATOM 0 HD13 LEU A 78 6.003 3.647 -1.223 1.00 52.34 H new ATOM 0 HD21 LEU A 78 5.122 2.255 1.381 1.00 22.32 H new ATOM 0 HD22 LEU A 78 6.734 2.048 0.657 1.00 22.32 H new ATOM 0 HD23 LEU A 78 6.580 2.594 2.344 1.00 22.32 H new ATOM 1262 N GLU A 79 9.963 6.542 1.877 1.00 45.14 N ATOM 1263 CA GLU A 79 11.341 7.024 1.734 1.00 73.11 C ATOM 1264 C GLU A 79 12.152 6.775 3.010 1.00 73.24 C ATOM 1265 O GLU A 79 13.361 6.544 2.947 1.00 4.24 O ATOM 1266 CB GLU A 79 11.374 8.513 1.381 1.00 11.42 C ATOM 1267 CG GLU A 79 10.740 8.844 0.037 1.00 74.01 C ATOM 1268 CD GLU A 79 11.086 10.244 -0.437 1.00 12.44 C ATOM 1269 OE1 GLU A 79 10.471 11.214 0.046 1.00 71.00 O ATOM 1270 OE2 GLU A 79 11.990 10.378 -1.292 1.00 15.21 O ATOM 0 H GLU A 79 9.256 7.277 1.865 1.00 45.14 H new ATOM 0 HA GLU A 79 11.794 6.462 0.918 1.00 73.11 H new ATOM 0 HB2 GLU A 79 10.859 9.073 2.162 1.00 11.42 H new ATOM 0 HB3 GLU A 79 12.410 8.852 1.376 1.00 11.42 H new ATOM 0 HG2 GLU A 79 11.072 8.119 -0.706 1.00 74.01 H new ATOM 0 HG3 GLU A 79 9.657 8.747 0.115 1.00 74.01 H new ATOM 1277 N ALA A 80 11.480 6.821 4.163 1.00 73.24 N ATOM 1278 CA ALA A 80 12.109 6.479 5.446 1.00 4.13 C ATOM 1279 C ALA A 80 12.665 5.043 5.428 1.00 64.23 C ATOM 1280 O ALA A 80 13.598 4.710 6.161 1.00 42.52 O ATOM 1281 CB ALA A 80 11.104 6.643 6.581 1.00 13.25 C ATOM 0 H ALA A 80 10.499 7.092 4.237 1.00 73.24 H new ATOM 0 HA ALA A 80 12.944 7.160 5.608 1.00 4.13 H new ATOM 0 HB1 ALA A 80 11.580 6.387 7.528 1.00 13.25 H new ATOM 0 HB2 ALA A 80 10.760 7.677 6.615 1.00 13.25 H new ATOM 0 HB3 ALA A 80 10.253 5.983 6.412 1.00 13.25 H new ATOM 1287 N GLU A 81 12.074 4.200 4.584 1.00 15.42 N ATOM 1288 CA GLU A 81 12.535 2.820 4.394 1.00 53.35 C ATOM 1289 C GLU A 81 13.751 2.768 3.455 1.00 64.12 C ATOM 1290 O GLU A 81 14.579 1.858 3.528 1.00 52.33 O ATOM 1291 CB GLU A 81 11.401 1.979 3.792 1.00 4.15 C ATOM 1292 CG GLU A 81 10.090 2.056 4.564 1.00 32.13 C ATOM 1293 CD GLU A 81 10.175 1.399 5.922 1.00 12.42 C ATOM 1294 OE1 GLU A 81 10.063 0.163 5.983 1.00 25.21 O ATOM 1295 OE2 GLU A 81 10.360 2.108 6.932 1.00 52.42 O ATOM 0 H GLU A 81 11.266 4.449 4.014 1.00 15.42 H new ATOM 0 HA GLU A 81 12.826 2.421 5.366 1.00 53.35 H new ATOM 0 HB2 GLU A 81 11.226 2.306 2.767 1.00 4.15 H new ATOM 0 HB3 GLU A 81 11.721 0.938 3.744 1.00 4.15 H new ATOM 0 HG2 GLU A 81 9.806 3.101 4.687 1.00 32.13 H new ATOM 0 HG3 GLU A 81 9.302 1.578 3.982 1.00 32.13 H new ATOM 1302 N GLY A 82 13.854 3.764 2.584 1.00 13.44 N ATOM 1303 CA GLY A 82 14.858 3.749 1.526 1.00 34.31 C ATOM 1304 C GLY A 82 14.278 3.313 0.184 1.00 63.12 C ATOM 1305 O GLY A 82 15.001 2.838 -0.693 1.00 32.33 O ATOM 0 H GLY A 82 13.257 4.591 2.589 1.00 13.44 H new ATOM 0 HA2 GLY A 82 15.292 4.744 1.426 1.00 34.31 H new ATOM 0 HA3 GLY A 82 15.667 3.075 1.806 1.00 34.31 H new ATOM 1309 N ILE A 83 12.962 3.470 0.033 1.00 51.05 N ATOM 1310 CA ILE A 83 12.264 3.101 -1.201 1.00 34.13 C ATOM 1311 C ILE A 83 12.348 4.229 -2.246 1.00 4.22 C ATOM 1312 O ILE A 83 11.994 5.380 -1.970 1.00 65.32 O ATOM 1313 CB ILE A 83 10.777 2.760 -0.909 1.00 52.43 C ATOM 1314 CG1 ILE A 83 10.695 1.561 0.058 1.00 51.40 C ATOM 1315 CG2 ILE A 83 10.014 2.470 -2.203 1.00 41.12 C ATOM 1316 CD1 ILE A 83 9.283 1.175 0.453 1.00 44.22 C ATOM 0 H ILE A 83 12.353 3.853 0.756 1.00 51.05 H new ATOM 0 HA ILE A 83 12.756 2.218 -1.607 1.00 34.13 H new ATOM 0 HB ILE A 83 10.308 3.624 -0.438 1.00 52.43 H new ATOM 0 HG12 ILE A 83 11.178 0.701 -0.406 1.00 51.40 H new ATOM 0 HG13 ILE A 83 11.261 1.797 0.959 1.00 51.40 H new ATOM 0 HG21 ILE A 83 8.976 2.234 -1.968 1.00 41.12 H new ATOM 0 HG22 ILE A 83 10.050 3.346 -2.851 1.00 41.12 H new ATOM 0 HG23 ILE A 83 10.472 1.623 -2.713 1.00 41.12 H new ATOM 0 HD11 ILE A 83 9.315 0.324 1.134 1.00 44.22 H new ATOM 0 HD12 ILE A 83 8.800 2.018 0.948 1.00 44.22 H new ATOM 0 HD13 ILE A 83 8.717 0.905 -0.438 1.00 44.22 H new ATOM 1328 N GLU A 84 12.829 3.888 -3.441 1.00 4.02 N ATOM 1329 CA GLU A 84 13.014 4.868 -4.519 1.00 53.42 C ATOM 1330 C GLU A 84 11.673 5.326 -5.124 1.00 11.30 C ATOM 1331 O GLU A 84 11.072 4.641 -5.959 1.00 4.11 O ATOM 1332 CB GLU A 84 13.938 4.288 -5.607 1.00 1.30 C ATOM 1333 CG GLU A 84 13.451 2.978 -6.213 1.00 15.21 C ATOM 1334 CD GLU A 84 14.469 2.348 -7.147 1.00 75.14 C ATOM 1335 OE1 GLU A 84 14.540 2.756 -8.324 1.00 12.21 O ATOM 1336 OE2 GLU A 84 15.211 1.441 -6.709 1.00 73.12 O ATOM 0 H GLU A 84 13.100 2.937 -3.691 1.00 4.02 H new ATOM 0 HA GLU A 84 13.484 5.752 -4.087 1.00 53.42 H new ATOM 0 HB2 GLU A 84 14.048 5.024 -6.403 1.00 1.30 H new ATOM 0 HB3 GLU A 84 14.928 4.131 -5.180 1.00 1.30 H new ATOM 0 HG2 GLU A 84 13.217 2.277 -5.412 1.00 15.21 H new ATOM 0 HG3 GLU A 84 12.525 3.158 -6.760 1.00 15.21 H new ATOM 1343 N VAL A 85 11.202 6.490 -4.684 1.00 33.45 N ATOM 1344 CA VAL A 85 9.955 7.071 -5.189 1.00 5.42 C ATOM 1345 C VAL A 85 10.242 8.160 -6.233 1.00 74.12 C ATOM 1346 O VAL A 85 10.767 9.227 -5.905 1.00 64.33 O ATOM 1347 CB VAL A 85 9.107 7.679 -4.044 1.00 43.33 C ATOM 1348 CG1 VAL A 85 7.767 8.198 -4.571 1.00 13.33 C ATOM 1349 CG2 VAL A 85 8.898 6.660 -2.923 1.00 73.41 C ATOM 0 H VAL A 85 11.667 7.055 -3.974 1.00 33.45 H new ATOM 0 HA VAL A 85 9.392 6.261 -5.653 1.00 5.42 H new ATOM 0 HB VAL A 85 9.654 8.527 -3.631 1.00 43.33 H new ATOM 0 HG11 VAL A 85 7.191 8.620 -3.747 1.00 13.33 H new ATOM 0 HG12 VAL A 85 7.945 8.968 -5.321 1.00 13.33 H new ATOM 0 HG13 VAL A 85 7.210 7.376 -5.020 1.00 13.33 H new ATOM 0 HG21 VAL A 85 8.300 7.109 -2.130 1.00 73.41 H new ATOM 0 HG22 VAL A 85 8.380 5.786 -3.318 1.00 73.41 H new ATOM 0 HG23 VAL A 85 9.865 6.358 -2.521 1.00 73.41 H new ATOM 1359 N SER A 86 9.899 7.878 -7.489 1.00 40.21 N ATOM 1360 CA SER A 86 10.095 8.833 -8.590 1.00 61.14 C ATOM 1361 C SER A 86 9.187 10.063 -8.441 1.00 21.14 C ATOM 1362 O SER A 86 8.135 9.994 -7.799 1.00 24.25 O ATOM 1363 CB SER A 86 9.834 8.162 -9.946 1.00 44.33 C ATOM 1364 OG SER A 86 9.947 9.091 -11.014 1.00 33.35 O ATOM 0 H SER A 86 9.482 6.992 -7.775 1.00 40.21 H new ATOM 0 HA SER A 86 11.132 9.164 -8.546 1.00 61.14 H new ATOM 0 HB2 SER A 86 10.544 7.348 -10.093 1.00 44.33 H new ATOM 0 HB3 SER A 86 8.837 7.721 -9.949 1.00 44.33 H new ATOM 0 HG SER A 86 9.777 8.634 -11.864 1.00 33.35 H new ATOM 1370 N GLU A 87 9.590 11.158 -9.095 1.00 41.20 N ATOM 1371 CA GLU A 87 8.984 12.495 -8.923 1.00 4.14 C ATOM 1372 C GLU A 87 7.438 12.492 -8.882 1.00 12.35 C ATOM 1373 O GLU A 87 6.839 13.011 -7.938 1.00 43.03 O ATOM 1374 CB GLU A 87 9.481 13.433 -10.039 1.00 3.11 C ATOM 1375 CG GLU A 87 9.244 12.900 -11.450 1.00 50.44 C ATOM 1376 CD GLU A 87 9.786 13.820 -12.532 1.00 55.55 C ATOM 1377 OE1 GLU A 87 10.966 13.664 -12.918 1.00 24.03 O ATOM 1378 OE2 GLU A 87 9.036 14.699 -13.006 1.00 71.24 O ATOM 0 H GLU A 87 10.356 11.147 -9.769 1.00 41.20 H new ATOM 0 HA GLU A 87 9.305 12.852 -7.945 1.00 4.14 H new ATOM 0 HB2 GLU A 87 8.983 14.397 -9.938 1.00 3.11 H new ATOM 0 HB3 GLU A 87 10.548 13.609 -9.903 1.00 3.11 H new ATOM 0 HG2 GLU A 87 9.712 11.920 -11.546 1.00 50.44 H new ATOM 0 HG3 GLU A 87 8.174 12.758 -11.604 1.00 50.44 H new ATOM 1385 N ILE A 88 6.795 11.901 -9.890 1.00 14.51 N ATOM 1386 CA ILE A 88 5.323 11.910 -9.983 1.00 12.24 C ATOM 1387 C ILE A 88 4.666 10.857 -9.065 1.00 65.30 C ATOM 1388 O ILE A 88 3.468 10.581 -9.175 1.00 64.20 O ATOM 1389 CB ILE A 88 4.852 11.719 -11.457 1.00 75.22 C ATOM 1390 CG1 ILE A 88 5.443 10.440 -12.096 1.00 40.42 C ATOM 1391 CG2 ILE A 88 5.218 12.947 -12.291 1.00 44.32 C ATOM 1392 CD1 ILE A 88 4.709 9.158 -11.749 1.00 2.23 C ATOM 0 H ILE A 88 7.262 11.411 -10.653 1.00 14.51 H new ATOM 0 HA ILE A 88 4.996 12.890 -9.635 1.00 12.24 H new ATOM 0 HB ILE A 88 3.768 11.603 -11.442 1.00 75.22 H new ATOM 0 HG12 ILE A 88 5.445 10.559 -13.179 1.00 40.42 H new ATOM 0 HG13 ILE A 88 6.483 10.342 -11.785 1.00 40.42 H new ATOM 0 HG21 ILE A 88 4.884 12.802 -13.318 1.00 44.32 H new ATOM 0 HG22 ILE A 88 4.732 13.829 -11.873 1.00 44.32 H new ATOM 0 HG23 ILE A 88 6.299 13.087 -12.277 1.00 44.32 H new ATOM 0 HD11 ILE A 88 5.195 8.316 -12.242 1.00 2.23 H new ATOM 0 HD12 ILE A 88 4.729 9.008 -10.670 1.00 2.23 H new ATOM 0 HD13 ILE A 88 3.675 9.228 -12.086 1.00 2.23 H new ATOM 1404 N GLY A 89 5.455 10.296 -8.148 1.00 64.21 N ATOM 1405 CA GLY A 89 4.958 9.274 -7.234 1.00 13.12 C ATOM 1406 C GLY A 89 4.969 7.877 -7.841 1.00 41.42 C ATOM 1407 O GLY A 89 3.975 7.156 -7.767 1.00 53.45 O ATOM 0 H GLY A 89 6.439 10.533 -8.021 1.00 64.21 H new ATOM 0 HA2 GLY A 89 5.567 9.276 -6.330 1.00 13.12 H new ATOM 0 HA3 GLY A 89 3.941 9.526 -6.934 1.00 13.12 H new ATOM 1411 N LYS A 90 6.097 7.485 -8.436 1.00 52.44 N ATOM 1412 CA LYS A 90 6.207 6.169 -9.094 1.00 1.42 C ATOM 1413 C LYS A 90 7.248 5.267 -8.406 1.00 21.22 C ATOM 1414 O LYS A 90 8.416 5.634 -8.273 1.00 52.13 O ATOM 1415 CB LYS A 90 6.563 6.338 -10.578 1.00 73.03 C ATOM 1416 CG LYS A 90 6.606 5.025 -11.360 1.00 32.52 C ATOM 1417 CD LYS A 90 7.048 5.239 -12.807 1.00 1.20 C ATOM 1418 CE LYS A 90 7.041 3.940 -13.610 1.00 74.11 C ATOM 1419 NZ LYS A 90 7.914 2.895 -13.009 1.00 15.22 N ATOM 0 H LYS A 90 6.945 8.050 -8.479 1.00 52.44 H new ATOM 0 HA LYS A 90 5.235 5.684 -9.008 1.00 1.42 H new ATOM 0 HB2 LYS A 90 5.834 7.002 -11.043 1.00 73.03 H new ATOM 0 HB3 LYS A 90 7.534 6.827 -10.655 1.00 73.03 H new ATOM 0 HG2 LYS A 90 7.290 4.333 -10.870 1.00 32.52 H new ATOM 0 HG3 LYS A 90 5.620 4.562 -11.346 1.00 32.52 H new ATOM 0 HD2 LYS A 90 6.387 5.963 -13.284 1.00 1.20 H new ATOM 0 HD3 LYS A 90 8.051 5.667 -12.820 1.00 1.20 H new ATOM 0 HE2 LYS A 90 6.021 3.563 -13.676 1.00 74.11 H new ATOM 0 HE3 LYS A 90 7.372 4.144 -14.628 1.00 74.11 H new ATOM 0 HZ1 LYS A 90 7.996 2.092 -13.665 1.00 15.22 H new ATOM 0 HZ2 LYS A 90 8.858 3.293 -12.829 1.00 15.22 H new ATOM 0 HZ3 LYS A 90 7.499 2.569 -12.113 1.00 15.22 H new ATOM 1433 N ILE A 91 6.812 4.085 -7.977 1.00 1.51 N ATOM 1434 CA ILE A 91 7.687 3.106 -7.319 1.00 13.31 C ATOM 1435 C ILE A 91 7.810 1.815 -8.152 1.00 24.35 C ATOM 1436 O ILE A 91 6.845 1.367 -8.775 1.00 63.20 O ATOM 1437 CB ILE A 91 7.146 2.751 -5.912 1.00 35.53 C ATOM 1438 CG1 ILE A 91 6.976 4.030 -5.076 1.00 3.32 C ATOM 1439 CG2 ILE A 91 8.072 1.756 -5.203 1.00 34.04 C ATOM 1440 CD1 ILE A 91 6.338 3.796 -3.726 1.00 42.42 C ATOM 0 H ILE A 91 5.845 3.775 -8.073 1.00 1.51 H new ATOM 0 HA ILE A 91 8.673 3.562 -7.228 1.00 13.31 H new ATOM 0 HB ILE A 91 6.172 2.275 -6.025 1.00 35.53 H new ATOM 0 HG12 ILE A 91 7.953 4.490 -4.931 1.00 3.32 H new ATOM 0 HG13 ILE A 91 6.369 4.741 -5.636 1.00 3.32 H new ATOM 0 HG21 ILE A 91 7.669 1.523 -4.217 1.00 34.04 H new ATOM 0 HG22 ILE A 91 8.142 0.841 -5.792 1.00 34.04 H new ATOM 0 HG23 ILE A 91 9.064 2.195 -5.095 1.00 34.04 H new ATOM 0 HD11 ILE A 91 6.252 4.744 -3.195 1.00 42.42 H new ATOM 0 HD12 ILE A 91 5.346 3.365 -3.862 1.00 42.42 H new ATOM 0 HD13 ILE A 91 6.955 3.110 -3.146 1.00 42.42 H new ATOM 1452 N ALA A 92 9.002 1.223 -8.160 1.00 3.52 N ATOM 1453 CA ALA A 92 9.243 -0.029 -8.886 1.00 1.53 C ATOM 1454 C ALA A 92 8.662 -1.245 -8.142 1.00 32.34 C ATOM 1455 O ALA A 92 9.249 -1.731 -7.173 1.00 25.51 O ATOM 1456 CB ALA A 92 10.738 -0.218 -9.114 1.00 44.30 C ATOM 0 H ALA A 92 9.820 1.588 -7.672 1.00 3.52 H new ATOM 0 HA ALA A 92 8.733 0.041 -9.847 1.00 1.53 H new ATOM 0 HB1 ALA A 92 10.909 -1.150 -9.653 1.00 44.30 H new ATOM 0 HB2 ALA A 92 11.125 0.616 -9.699 1.00 44.30 H new ATOM 0 HB3 ALA A 92 11.251 -0.256 -8.153 1.00 44.30 H new ATOM 1462 N LEU A 93 7.505 -1.731 -8.599 1.00 43.22 N ATOM 1463 CA LEU A 93 6.851 -2.898 -7.984 1.00 44.34 C ATOM 1464 C LEU A 93 7.786 -4.114 -7.911 1.00 22.32 C ATOM 1465 O LEU A 93 8.123 -4.571 -6.826 1.00 32.51 O ATOM 1466 CB LEU A 93 5.580 -3.280 -8.759 1.00 5.54 C ATOM 1467 CG LEU A 93 4.375 -2.348 -8.552 1.00 54.14 C ATOM 1468 CD1 LEU A 93 3.208 -2.768 -9.441 1.00 24.21 C ATOM 1469 CD2 LEU A 93 3.951 -2.332 -7.084 1.00 53.22 C ATOM 0 H LEU A 93 6.999 -1.337 -9.392 1.00 43.22 H new ATOM 0 HA LEU A 93 6.588 -2.610 -6.966 1.00 44.34 H new ATOM 0 HB2 LEU A 93 5.818 -3.307 -9.822 1.00 5.54 H new ATOM 0 HB3 LEU A 93 5.290 -4.290 -8.471 1.00 5.54 H new ATOM 0 HG LEU A 93 4.674 -1.339 -8.834 1.00 54.14 H new ATOM 0 HD11 LEU A 93 2.366 -2.095 -9.278 1.00 24.21 H new ATOM 0 HD12 LEU A 93 3.512 -2.722 -10.487 1.00 24.21 H new ATOM 0 HD13 LEU A 93 2.911 -3.787 -9.194 1.00 24.21 H new ATOM 0 HD21 LEU A 93 3.097 -1.666 -6.959 1.00 53.22 H new ATOM 0 HD22 LEU A 93 3.674 -3.340 -6.774 1.00 53.22 H new ATOM 0 HD23 LEU A 93 4.779 -1.978 -6.470 1.00 53.22 H new ATOM 1481 N ARG A 94 8.219 -4.614 -9.067 1.00 4.20 N ATOM 1482 CA ARG A 94 9.055 -5.829 -9.133 1.00 52.10 C ATOM 1483 C ARG A 94 10.259 -5.764 -8.172 1.00 71.33 C ATOM 1484 O ARG A 94 10.727 -6.791 -7.669 1.00 53.25 O ATOM 1485 CB ARG A 94 9.572 -6.032 -10.560 1.00 2.53 C ATOM 1486 CG ARG A 94 8.481 -6.080 -11.625 1.00 55.24 C ATOM 1487 CD ARG A 94 9.079 -6.168 -13.026 1.00 42.25 C ATOM 1488 NE ARG A 94 10.061 -5.108 -13.273 1.00 21.41 N ATOM 1489 CZ ARG A 94 10.398 -4.674 -14.458 1.00 32.53 C ATOM 1490 NH1 ARG A 94 9.832 -5.141 -15.527 1.00 20.24 N ATOM 1491 NH2 ARG A 94 11.306 -3.763 -14.569 1.00 42.21 N ATOM 0 H ARG A 94 8.009 -4.202 -9.976 1.00 4.20 H new ATOM 0 HA ARG A 94 8.424 -6.665 -8.832 1.00 52.10 H new ATOM 0 HB2 ARG A 94 10.263 -5.224 -10.801 1.00 2.53 H new ATOM 0 HB3 ARG A 94 10.141 -6.961 -10.598 1.00 2.53 H new ATOM 0 HG2 ARG A 94 7.835 -6.940 -11.448 1.00 55.24 H new ATOM 0 HG3 ARG A 94 7.856 -5.190 -11.549 1.00 55.24 H new ATOM 0 HD2 ARG A 94 9.555 -7.140 -13.156 1.00 42.25 H new ATOM 0 HD3 ARG A 94 8.281 -6.102 -13.765 1.00 42.25 H new ATOM 0 HE ARG A 94 10.512 -4.680 -12.464 1.00 21.41 H new ATOM 0 HH11 ARG A 94 9.111 -5.859 -15.450 1.00 20.24 H new ATOM 0 HH12 ARG A 94 10.107 -4.791 -16.444 1.00 20.24 H new ATOM 0 HH21 ARG A 94 11.756 -3.387 -13.734 1.00 42.21 H new ATOM 0 HH22 ARG A 94 11.574 -3.420 -15.491 1.00 42.21 H new ATOM 1505 N LYS A 95 10.742 -4.552 -7.922 1.00 43.04 N ATOM 1506 CA LYS A 95 11.933 -4.335 -7.095 1.00 51.50 C ATOM 1507 C LYS A 95 11.601 -4.411 -5.592 1.00 5.44 C ATOM 1508 O LYS A 95 12.402 -4.900 -4.796 1.00 4.24 O ATOM 1509 CB LYS A 95 12.555 -2.970 -7.458 1.00 61.33 C ATOM 1510 CG LYS A 95 14.034 -2.812 -7.101 1.00 52.21 C ATOM 1511 CD LYS A 95 14.263 -2.507 -5.623 1.00 52.34 C ATOM 1512 CE LYS A 95 15.731 -2.223 -5.335 1.00 42.43 C ATOM 1513 NZ LYS A 95 16.244 -1.081 -6.143 1.00 73.42 N ATOM 0 H LYS A 95 10.325 -3.694 -8.283 1.00 43.04 H new ATOM 0 HA LYS A 95 12.653 -5.127 -7.298 1.00 51.50 H new ATOM 0 HB2 LYS A 95 12.437 -2.809 -8.530 1.00 61.33 H new ATOM 0 HB3 LYS A 95 11.990 -2.186 -6.954 1.00 61.33 H new ATOM 0 HG2 LYS A 95 14.565 -3.727 -7.364 1.00 52.21 H new ATOM 0 HG3 LYS A 95 14.463 -2.011 -7.702 1.00 52.21 H new ATOM 0 HD2 LYS A 95 13.660 -1.647 -5.330 1.00 52.34 H new ATOM 0 HD3 LYS A 95 13.929 -3.351 -5.020 1.00 52.34 H new ATOM 0 HE2 LYS A 95 15.857 -2.003 -4.275 1.00 42.43 H new ATOM 0 HE3 LYS A 95 16.322 -3.114 -5.549 1.00 42.43 H new ATOM 0 HZ1 LYS A 95 17.123 -0.722 -5.718 1.00 73.42 H new ATOM 0 HZ2 LYS A 95 16.434 -1.401 -7.114 1.00 73.42 H new ATOM 0 HZ3 LYS A 95 15.533 -0.322 -6.161 1.00 73.42 H new ATOM 1527 N TYR A 96 10.413 -3.940 -5.209 1.00 74.41 N ATOM 1528 CA TYR A 96 10.009 -3.919 -3.792 1.00 11.15 C ATOM 1529 C TYR A 96 8.803 -4.831 -3.516 1.00 2.13 C ATOM 1530 O TYR A 96 8.281 -4.847 -2.407 1.00 12.13 O ATOM 1531 CB TYR A 96 9.660 -2.489 -3.356 1.00 53.00 C ATOM 1532 CG TYR A 96 10.816 -1.509 -3.422 1.00 51.40 C ATOM 1533 CD1 TYR A 96 11.757 -1.445 -2.397 1.00 63.22 C ATOM 1534 CD2 TYR A 96 10.961 -0.642 -4.499 1.00 23.41 C ATOM 1535 CE1 TYR A 96 12.803 -0.543 -2.443 1.00 33.42 C ATOM 1536 CE2 TYR A 96 12.008 0.258 -4.554 1.00 20.04 C ATOM 1537 CZ TYR A 96 12.926 0.303 -3.525 1.00 24.11 C ATOM 1538 OH TYR A 96 13.962 1.211 -3.575 1.00 60.11 O ATOM 0 H TYR A 96 9.714 -3.569 -5.852 1.00 74.41 H new ATOM 0 HA TYR A 96 10.858 -4.292 -3.219 1.00 11.15 H new ATOM 0 HB2 TYR A 96 8.851 -2.119 -3.985 1.00 53.00 H new ATOM 0 HB3 TYR A 96 9.282 -2.517 -2.334 1.00 53.00 H new ATOM 0 HD1 TYR A 96 11.668 -2.112 -1.552 1.00 63.22 H new ATOM 0 HD2 TYR A 96 10.244 -0.672 -5.306 1.00 23.41 H new ATOM 0 HE1 TYR A 96 13.520 -0.501 -1.636 1.00 33.42 H new ATOM 0 HE2 TYR A 96 12.107 0.923 -5.399 1.00 20.04 H new ATOM 0 HH TYR A 96 14.600 0.942 -4.269 1.00 60.11 H new ATOM 1548 N LYS A 97 8.367 -5.593 -4.516 1.00 23.13 N ATOM 1549 CA LYS A 97 7.152 -6.403 -4.402 1.00 34.13 C ATOM 1550 C LYS A 97 7.244 -7.418 -3.254 1.00 65.53 C ATOM 1551 O LYS A 97 8.255 -8.108 -3.093 1.00 51.31 O ATOM 1552 CB LYS A 97 6.888 -7.132 -5.723 1.00 15.51 C ATOM 1553 CG LYS A 97 5.516 -7.782 -5.812 1.00 33.52 C ATOM 1554 CD LYS A 97 5.361 -8.555 -7.115 1.00 34.21 C ATOM 1555 CE LYS A 97 3.998 -9.233 -7.231 1.00 32.22 C ATOM 1556 NZ LYS A 97 3.714 -10.146 -6.091 1.00 33.00 N ATOM 0 H LYS A 97 8.837 -5.668 -5.418 1.00 23.13 H new ATOM 0 HA LYS A 97 6.325 -5.729 -4.180 1.00 34.13 H new ATOM 0 HB2 LYS A 97 6.996 -6.423 -6.544 1.00 15.51 H new ATOM 0 HB3 LYS A 97 7.651 -7.898 -5.861 1.00 15.51 H new ATOM 0 HG2 LYS A 97 5.373 -8.455 -4.967 1.00 33.52 H new ATOM 0 HG3 LYS A 97 4.742 -7.017 -5.745 1.00 33.52 H new ATOM 0 HD2 LYS A 97 5.498 -7.875 -7.956 1.00 34.21 H new ATOM 0 HD3 LYS A 97 6.146 -9.309 -7.183 1.00 34.21 H new ATOM 0 HE2 LYS A 97 3.221 -8.471 -7.284 1.00 32.22 H new ATOM 0 HE3 LYS A 97 3.955 -9.797 -8.163 1.00 32.22 H new ATOM 0 HZ1 LYS A 97 3.142 -10.948 -6.423 1.00 33.00 H new ATOM 0 HZ2 LYS A 97 4.610 -10.499 -5.697 1.00 33.00 H new ATOM 0 HZ3 LYS A 97 3.192 -9.630 -5.355 1.00 33.00 H new ATOM 1570 N TRP A 98 6.180 -7.495 -2.456 1.00 64.11 N ATOM 1571 CA TRP A 98 6.099 -8.439 -1.341 1.00 25.22 C ATOM 1572 C TRP A 98 6.335 -9.883 -1.808 1.00 5.45 C ATOM 1573 O TRP A 98 5.548 -10.442 -2.570 1.00 34.53 O ATOM 1574 CB TRP A 98 4.727 -8.308 -0.655 1.00 52.33 C ATOM 1575 CG TRP A 98 4.472 -9.298 0.452 1.00 2.11 C ATOM 1576 CD1 TRP A 98 5.399 -9.990 1.177 1.00 54.41 C ATOM 1577 CD2 TRP A 98 3.192 -9.692 0.966 1.00 43.32 C ATOM 1578 NE1 TRP A 98 4.776 -10.790 2.101 1.00 2.51 N ATOM 1579 CE2 TRP A 98 3.422 -10.626 1.991 1.00 2.35 C ATOM 1580 CE3 TRP A 98 1.875 -9.346 0.655 1.00 54.44 C ATOM 1581 CZ2 TRP A 98 2.384 -11.217 2.709 1.00 51.22 C ATOM 1582 CZ3 TRP A 98 0.846 -9.933 1.365 1.00 30.31 C ATOM 1583 CH2 TRP A 98 1.105 -10.860 2.381 1.00 1.44 C ATOM 0 H TRP A 98 5.353 -6.908 -2.563 1.00 64.11 H new ATOM 0 HA TRP A 98 6.885 -8.197 -0.626 1.00 25.22 H new ATOM 0 HB2 TRP A 98 4.635 -7.300 -0.249 1.00 52.33 H new ATOM 0 HB3 TRP A 98 3.948 -8.420 -1.409 1.00 52.33 H new ATOM 0 HD1 TRP A 98 6.468 -9.918 1.043 1.00 54.41 H new ATOM 0 HE1 TRP A 98 5.246 -11.407 2.763 1.00 2.51 H new ATOM 0 HE3 TRP A 98 1.665 -8.632 -0.127 1.00 54.44 H new ATOM 0 HZ2 TRP A 98 2.582 -11.930 3.495 1.00 51.22 H new ATOM 0 HZ3 TRP A 98 -0.176 -9.672 1.132 1.00 30.31 H new ATOM 0 HH2 TRP A 98 0.278 -11.302 2.917 1.00 1.44 H new ATOM 1594 N GLN A 99 7.432 -10.475 -1.349 1.00 41.34 N ATOM 1595 CA GLN A 99 7.739 -11.877 -1.635 1.00 34.32 C ATOM 1596 C GLN A 99 7.585 -12.731 -0.364 1.00 22.30 C ATOM 1597 O GLN A 99 8.524 -12.858 0.421 1.00 60.44 O ATOM 1598 CB GLN A 99 9.168 -12.011 -2.193 1.00 15.44 C ATOM 1599 CG GLN A 99 9.559 -13.441 -2.567 1.00 42.22 C ATOM 1600 CD GLN A 99 11.007 -13.559 -3.022 1.00 14.01 C ATOM 1601 OE1 GLN A 99 11.908 -13.787 -2.221 1.00 52.12 O ATOM 1602 NE2 GLN A 99 11.244 -13.405 -4.310 1.00 21.23 N ATOM 0 H GLN A 99 8.130 -10.004 -0.773 1.00 41.34 H new ATOM 0 HA GLN A 99 7.035 -12.237 -2.385 1.00 34.32 H new ATOM 0 HB2 GLN A 99 9.264 -11.377 -3.074 1.00 15.44 H new ATOM 0 HB3 GLN A 99 9.873 -11.635 -1.452 1.00 15.44 H new ATOM 0 HG2 GLN A 99 9.399 -14.093 -1.708 1.00 42.22 H new ATOM 0 HG3 GLN A 99 8.903 -13.795 -3.362 1.00 42.22 H new ATOM 0 HE21 GLN A 99 10.474 -13.216 -4.951 1.00 21.23 H new ATOM 0 HE22 GLN A 99 12.198 -13.475 -4.665 1.00 21.23 H new ATOM 1611 N PRO A 100 6.388 -13.309 -0.130 1.00 3.33 N ATOM 1612 CA PRO A 100 6.151 -14.179 1.032 1.00 24.21 C ATOM 1613 C PRO A 100 6.737 -15.585 0.830 1.00 73.31 C ATOM 1614 O PRO A 100 6.784 -16.395 1.756 1.00 74.22 O ATOM 1615 CB PRO A 100 4.622 -14.230 1.113 1.00 54.50 C ATOM 1616 CG PRO A 100 4.167 -14.064 -0.299 1.00 52.35 C ATOM 1617 CD PRO A 100 5.177 -13.160 -0.965 1.00 75.43 C ATOM 0 HA PRO A 100 6.627 -13.806 1.939 1.00 24.21 H new ATOM 0 HB2 PRO A 100 4.278 -15.176 1.532 1.00 54.50 H new ATOM 0 HB3 PRO A 100 4.232 -13.438 1.752 1.00 54.50 H new ATOM 0 HG2 PRO A 100 4.113 -15.027 -0.806 1.00 52.35 H new ATOM 0 HG3 PRO A 100 3.169 -13.627 -0.337 1.00 52.35 H new ATOM 0 HD2 PRO A 100 5.363 -13.459 -1.996 1.00 75.43 H new ATOM 0 HD3 PRO A 100 4.833 -12.126 -0.990 1.00 75.43 H new ATOM 1625 N LEU A 101 7.178 -15.860 -0.396 1.00 30.02 N ATOM 1626 CA LEU A 101 7.747 -17.158 -0.753 1.00 2.05 C ATOM 1627 C LEU A 101 9.264 -17.171 -0.522 1.00 43.13 C ATOM 1628 O LEU A 101 10.038 -16.663 -1.337 1.00 53.15 O ATOM 1629 CB LEU A 101 7.421 -17.473 -2.218 1.00 65.20 C ATOM 1630 CG LEU A 101 5.922 -17.439 -2.564 1.00 30.04 C ATOM 1631 CD1 LEU A 101 5.706 -17.690 -4.049 1.00 41.22 C ATOM 1632 CD2 LEU A 101 5.146 -18.454 -1.725 1.00 13.14 C ATOM 0 H LEU A 101 7.151 -15.193 -1.167 1.00 30.02 H new ATOM 0 HA LEU A 101 7.307 -17.925 -0.115 1.00 2.05 H new ATOM 0 HB2 LEU A 101 7.943 -16.758 -2.854 1.00 65.20 H new ATOM 0 HB3 LEU A 101 7.814 -18.461 -2.459 1.00 65.20 H new ATOM 0 HG LEU A 101 5.543 -16.445 -2.328 1.00 30.04 H new ATOM 0 HD11 LEU A 101 4.639 -17.662 -4.271 1.00 41.22 H new ATOM 0 HD12 LEU A 101 6.218 -16.920 -4.626 1.00 41.22 H new ATOM 0 HD13 LEU A 101 6.106 -18.669 -4.315 1.00 41.22 H new ATOM 0 HD21 LEU A 101 4.089 -18.411 -1.988 1.00 13.14 H new ATOM 0 HD22 LEU A 101 5.528 -19.456 -1.921 1.00 13.14 H new ATOM 0 HD23 LEU A 101 5.267 -18.220 -0.667 1.00 13.14 H new ATOM 1644 N GLU A 102 9.674 -17.733 0.610 1.00 62.32 N ATOM 1645 CA GLU A 102 11.091 -17.811 0.981 1.00 52.43 C ATOM 1646 C GLU A 102 11.867 -18.851 0.133 1.00 14.30 C ATOM 1647 O GLU A 102 11.703 -20.076 0.357 1.00 37.46 O ATOM 1648 CB GLU A 102 11.216 -18.111 2.484 1.00 72.33 C ATOM 1649 CG GLU A 102 10.356 -19.280 2.967 1.00 0.20 C ATOM 1650 CD GLU A 102 10.489 -19.531 4.460 1.00 61.45 C ATOM 1651 OE1 GLU A 102 11.582 -19.950 4.896 1.00 61.13 O ATOM 1652 OE2 GLU A 102 9.502 -19.326 5.200 1.00 11.03 O ATOM 0 H GLU A 102 9.042 -18.146 1.295 1.00 62.32 H new ATOM 0 HA GLU A 102 11.548 -16.844 0.770 1.00 52.43 H new ATOM 0 HB2 GLU A 102 12.260 -18.324 2.714 1.00 72.33 H new ATOM 0 HB3 GLU A 102 10.942 -17.218 3.045 1.00 72.33 H new ATOM 0 HG2 GLU A 102 9.311 -19.080 2.728 1.00 0.20 H new ATOM 0 HG3 GLU A 102 10.639 -20.182 2.425 1.00 0.20 H new TER 1659 GLU A 102