USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 949 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 71 THR OG1 : rot -150:sc= 0.73 USER MOD Set 1.2: A 78 LYS NZ :NH3+ -110:sc= 0.381 (180deg=-1.87!) USER MOD Set 2.1: A 60 ASN : amide:sc= 0.154 K(o=-5.6,f=-7.5!) USER MOD Set 2.2: A 101 ASN : amide:sc= -5.76! C(o=-5.6!,f=-4.5!) USER MOD Single : A 5 MET CE :methyl -161:sc= -0.141 (180deg=-0.612) USER MOD Single : A 7 MET CE :methyl -173:sc= -0.597 (180deg=-0.765) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -163:sc= -0.0989 (180deg=-0.487) USER MOD Single : A 19 LYS NZ :NH3+ 142:sc= 0.479 (180deg=-1.46!) USER MOD Single : A 21 ASN : amide:sc= 0.676 K(o=0.68,f=-7.4!) USER MOD Single : A 22 ASN : amide:sc= -0.201 K(o=-0.2,f=-2.1) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0156 USER MOD Single : A 24 THR OG1 : rot 180:sc=-0.000478 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 67:sc= 0.993 USER MOD Single : A 41 ASN : amide:sc= -0.135 K(o=-0.13,f=-4.3!) USER MOD Single : A 44 TYR OH : rot 0:sc= 0.0312 USER MOD Single : A 45 THR OG1 : rot 41:sc= 0.253 USER MOD Single : A 48 GLN : amide:sc= -0.786 K(o=-0.79,f=0) USER MOD Single : A 49 SER OG : rot 147:sc= 1.14 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -132:sc= 1.24 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= -0.237 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 87 SER OG : rot 75:sc= 0.64 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 TYR OH : rot 100:sc= -0.146 USER MOD Single : A 93 LYS NZ :NH3+ 145:sc= 1.18 (180deg=0.0315) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 98 HIS : no HD1:sc= -1.31 X(o=-1.3,f=-1.6) USER MOD Single : A 99 CYS SG : rot 74:sc= -5.68! USER MOD Single : A 104 SER OG : rot -170:sc= -0.4 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot -20:sc= 0.0619 USER MOD Single : A 116 CYS SG : rot -130:sc= -0.102 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 4 5.161 10.551 -7.031 1.00 0.61 N ATOM 2 CA ALA A 4 4.369 9.364 -6.776 1.00 0.53 C ATOM 3 C ALA A 4 4.575 8.302 -7.844 1.00 0.44 C ATOM 4 O ALA A 4 4.168 8.464 -8.996 1.00 0.54 O ATOM 5 CB ALA A 4 2.900 9.736 -6.676 1.00 0.64 C ATOM 0 HA ALA A 4 4.702 8.938 -5.829 1.00 0.53 H new ATOM 0 HB1 ALA A 4 2.310 8.840 -6.484 1.00 0.64 H new ATOM 0 HB2 ALA A 4 2.759 10.445 -5.860 1.00 0.64 H new ATOM 0 HB3 ALA A 4 2.575 10.191 -7.612 1.00 0.64 H new ATOM 11 N MET A 5 5.221 7.222 -7.450 1.00 0.39 N ATOM 12 CA MET A 5 5.374 6.053 -8.297 1.00 0.37 C ATOM 13 C MET A 5 4.382 4.991 -7.866 1.00 0.30 C ATOM 14 O MET A 5 4.372 4.595 -6.709 1.00 0.29 O ATOM 15 CB MET A 5 6.796 5.511 -8.191 1.00 0.43 C ATOM 16 CG MET A 5 7.805 6.297 -9.009 1.00 1.01 C ATOM 17 SD MET A 5 7.464 6.237 -10.782 1.00 1.80 S ATOM 18 CE MET A 5 7.642 4.484 -11.107 1.00 1.60 C ATOM 0 H MET A 5 5.656 7.129 -6.532 1.00 0.39 H new ATOM 0 HA MET A 5 5.183 6.330 -9.334 1.00 0.37 H new ATOM 0 HB2 MET A 5 7.103 5.519 -7.145 1.00 0.43 H new ATOM 0 HB3 MET A 5 6.806 4.471 -8.518 1.00 0.43 H new ATOM 0 HG2 MET A 5 7.805 7.336 -8.678 1.00 1.01 H new ATOM 0 HG3 MET A 5 8.804 5.903 -8.822 1.00 1.01 H new ATOM 0 HE1 MET A 5 7.798 4.326 -12.174 1.00 1.60 H new ATOM 0 HE2 MET A 5 8.498 4.096 -10.554 1.00 1.60 H new ATOM 0 HE3 MET A 5 6.739 3.962 -10.791 1.00 1.60 H new ATOM 28 N PRO A 6 3.540 4.509 -8.783 1.00 0.30 N ATOM 29 CA PRO A 6 2.484 3.549 -8.449 1.00 0.28 C ATOM 30 C PRO A 6 3.046 2.334 -7.721 1.00 0.27 C ATOM 31 O PRO A 6 3.974 1.687 -8.204 1.00 0.30 O ATOM 32 CB PRO A 6 1.915 3.153 -9.814 1.00 0.32 C ATOM 33 CG PRO A 6 2.256 4.289 -10.716 1.00 0.47 C ATOM 34 CD PRO A 6 3.564 4.832 -10.219 1.00 0.36 C ATOM 0 HA PRO A 6 1.734 3.968 -7.778 1.00 0.28 H new ATOM 0 HB2 PRO A 6 2.354 2.221 -10.170 1.00 0.32 H new ATOM 0 HB3 PRO A 6 0.837 2.999 -9.763 1.00 0.32 H new ATOM 0 HG2 PRO A 6 2.340 3.955 -11.750 1.00 0.47 H new ATOM 0 HG3 PRO A 6 1.480 5.054 -10.690 1.00 0.47 H new ATOM 0 HD2 PRO A 6 4.411 4.365 -10.722 1.00 0.36 H new ATOM 0 HD3 PRO A 6 3.645 5.906 -10.389 1.00 0.36 H new ATOM 42 N MET A 7 2.499 2.037 -6.545 1.00 0.24 N ATOM 43 CA MET A 7 3.018 0.948 -5.723 1.00 0.24 C ATOM 44 C MET A 7 2.794 -0.403 -6.390 1.00 0.28 C ATOM 45 O MET A 7 3.495 -1.361 -6.092 1.00 0.32 O ATOM 46 CB MET A 7 2.391 0.970 -4.331 1.00 0.22 C ATOM 47 CG MET A 7 3.178 1.810 -3.338 1.00 0.31 C ATOM 48 SD MET A 7 4.748 1.047 -2.873 1.00 0.62 S ATOM 49 CE MET A 7 4.183 -0.428 -2.032 1.00 0.63 C ATOM 0 H MET A 7 1.703 2.531 -6.142 1.00 0.24 H new ATOM 0 HA MET A 7 4.093 1.097 -5.618 1.00 0.24 H new ATOM 0 HB2 MET A 7 1.375 1.359 -4.402 1.00 0.22 H new ATOM 0 HB3 MET A 7 2.316 -0.051 -3.956 1.00 0.22 H new ATOM 0 HG2 MET A 7 3.370 2.792 -3.770 1.00 0.31 H new ATOM 0 HG3 MET A 7 2.576 1.967 -2.443 1.00 0.31 H new ATOM 0 HE1 MET A 7 5.034 -0.938 -1.580 1.00 0.63 H new ATOM 0 HE2 MET A 7 3.470 -0.153 -1.255 1.00 0.63 H new ATOM 0 HE3 MET A 7 3.701 -1.093 -2.748 1.00 0.63 H new ATOM 59 N ILE A 8 1.820 -0.477 -7.292 1.00 0.29 N ATOM 60 CA ILE A 8 1.627 -1.674 -8.106 1.00 0.33 C ATOM 61 C ILE A 8 2.799 -1.830 -9.071 1.00 0.36 C ATOM 62 O ILE A 8 3.358 -2.917 -9.227 1.00 0.39 O ATOM 63 CB ILE A 8 0.305 -1.614 -8.901 1.00 0.37 C ATOM 64 CG1 ILE A 8 -0.891 -1.595 -7.946 1.00 0.42 C ATOM 65 CG2 ILE A 8 0.196 -2.786 -9.868 1.00 0.47 C ATOM 66 CD1 ILE A 8 -1.005 -2.836 -7.080 1.00 0.51 C ATOM 0 H ILE A 8 1.155 0.273 -7.478 1.00 0.29 H new ATOM 0 HA ILE A 8 1.577 -2.533 -7.436 1.00 0.33 H new ATOM 0 HB ILE A 8 0.301 -0.693 -9.484 1.00 0.37 H new ATOM 0 HG12 ILE A 8 -0.815 -0.719 -7.301 1.00 0.42 H new ATOM 0 HG13 ILE A 8 -1.806 -1.484 -8.527 1.00 0.42 H new ATOM 0 HG21 ILE A 8 -0.744 -2.720 -10.415 1.00 0.47 H new ATOM 0 HG22 ILE A 8 1.028 -2.756 -10.571 1.00 0.47 H new ATOM 0 HG23 ILE A 8 0.226 -3.722 -9.310 1.00 0.47 H new ATOM 0 HD11 ILE A 8 -1.876 -2.748 -6.431 1.00 0.51 H new ATOM 0 HD12 ILE A 8 -1.114 -3.715 -7.716 1.00 0.51 H new ATOM 0 HD13 ILE A 8 -0.107 -2.938 -6.471 1.00 0.51 H new ATOM 78 N GLU A 9 3.170 -0.721 -9.700 1.00 0.38 N ATOM 79 CA GLU A 9 4.354 -0.665 -10.543 1.00 0.42 C ATOM 80 C GLU A 9 5.593 -1.020 -9.715 1.00 0.39 C ATOM 81 O GLU A 9 6.525 -1.666 -10.199 1.00 0.39 O ATOM 82 CB GLU A 9 4.484 0.740 -11.144 1.00 0.50 C ATOM 83 CG GLU A 9 5.642 0.905 -12.113 1.00 0.66 C ATOM 84 CD GLU A 9 5.446 0.135 -13.403 1.00 0.86 C ATOM 85 OE1 GLU A 9 5.561 -1.103 -13.382 1.00 1.72 O ATOM 86 OE2 GLU A 9 5.123 0.758 -14.431 1.00 0.83 O ATOM 0 H GLU A 9 2.660 0.160 -9.639 1.00 0.38 H new ATOM 0 HA GLU A 9 4.265 -1.386 -11.356 1.00 0.42 H new ATOM 0 HB2 GLU A 9 3.557 0.988 -11.660 1.00 0.50 H new ATOM 0 HB3 GLU A 9 4.600 1.459 -10.333 1.00 0.50 H new ATOM 0 HG2 GLU A 9 5.769 1.963 -12.343 1.00 0.66 H new ATOM 0 HG3 GLU A 9 6.562 0.571 -11.633 1.00 0.66 H new ATOM 93 N TYR A 10 5.581 -0.596 -8.455 1.00 0.41 N ATOM 94 CA TYR A 10 6.645 -0.917 -7.513 1.00 0.42 C ATOM 95 C TYR A 10 6.671 -2.421 -7.231 1.00 0.43 C ATOM 96 O TYR A 10 7.739 -3.030 -7.144 1.00 0.45 O ATOM 97 CB TYR A 10 6.442 -0.124 -6.215 1.00 0.43 C ATOM 98 CG TYR A 10 7.550 -0.282 -5.196 1.00 0.44 C ATOM 99 CD1 TYR A 10 8.686 0.516 -5.242 1.00 0.47 C ATOM 100 CD2 TYR A 10 7.464 -1.239 -4.193 1.00 0.43 C ATOM 101 CE1 TYR A 10 9.702 0.366 -4.316 1.00 0.50 C ATOM 102 CE2 TYR A 10 8.473 -1.395 -3.264 1.00 0.45 C ATOM 103 CZ TYR A 10 9.588 -0.552 -3.318 1.00 0.47 C ATOM 104 OH TYR A 10 10.599 -0.746 -2.401 1.00 0.51 O ATOM 0 H TYR A 10 4.836 -0.022 -8.060 1.00 0.41 H new ATOM 0 HA TYR A 10 7.605 -0.638 -7.948 1.00 0.42 H new ATOM 0 HB2 TYR A 10 6.343 0.933 -6.463 1.00 0.43 H new ATOM 0 HB3 TYR A 10 5.501 -0.434 -5.760 1.00 0.43 H new ATOM 0 HD1 TYR A 10 8.777 1.266 -6.014 1.00 0.47 H new ATOM 0 HD2 TYR A 10 6.591 -1.873 -4.139 1.00 0.43 H new ATOM 0 HE1 TYR A 10 10.588 0.979 -4.385 1.00 0.50 H new ATOM 0 HE2 TYR A 10 8.402 -2.159 -2.504 1.00 0.45 H new ATOM 0 HH TYR A 10 10.334 -1.442 -1.764 1.00 0.51 H new ATOM 114 N LEU A 11 5.487 -3.017 -7.102 1.00 0.43 N ATOM 115 CA LEU A 11 5.369 -4.457 -6.886 1.00 0.46 C ATOM 116 C LEU A 11 5.967 -5.213 -8.060 1.00 0.44 C ATOM 117 O LEU A 11 6.772 -6.127 -7.879 1.00 0.48 O ATOM 118 CB LEU A 11 3.900 -4.876 -6.745 1.00 0.50 C ATOM 119 CG LEU A 11 3.108 -4.190 -5.638 1.00 0.58 C ATOM 120 CD1 LEU A 11 1.650 -4.599 -5.701 1.00 0.66 C ATOM 121 CD2 LEU A 11 3.680 -4.526 -4.279 1.00 0.77 C ATOM 0 H LEU A 11 4.595 -2.524 -7.143 1.00 0.43 H new ATOM 0 HA LEU A 11 5.905 -4.695 -5.967 1.00 0.46 H new ATOM 0 HB2 LEU A 11 3.397 -4.687 -7.694 1.00 0.50 H new ATOM 0 HB3 LEU A 11 3.865 -5.952 -6.575 1.00 0.50 H new ATOM 0 HG LEU A 11 3.181 -3.113 -5.788 1.00 0.58 H new ATOM 0 HD11 LEU A 11 1.098 -4.101 -4.904 1.00 0.66 H new ATOM 0 HD12 LEU A 11 1.233 -4.312 -6.666 1.00 0.66 H new ATOM 0 HD13 LEU A 11 1.569 -5.679 -5.578 1.00 0.66 H new ATOM 0 HD21 LEU A 11 3.098 -4.025 -3.505 1.00 0.77 H new ATOM 0 HD22 LEU A 11 3.639 -5.604 -4.123 1.00 0.77 H new ATOM 0 HD23 LEU A 11 4.716 -4.192 -4.228 1.00 0.77 H new ATOM 133 N GLU A 12 5.584 -4.802 -9.259 1.00 0.40 N ATOM 134 CA GLU A 12 6.008 -5.467 -10.479 1.00 0.40 C ATOM 135 C GLU A 12 7.526 -5.407 -10.641 1.00 0.44 C ATOM 136 O GLU A 12 8.184 -6.436 -10.813 1.00 0.49 O ATOM 137 CB GLU A 12 5.305 -4.829 -11.685 1.00 0.40 C ATOM 138 CG GLU A 12 5.723 -5.422 -13.018 1.00 0.43 C ATOM 139 CD GLU A 12 4.834 -5.010 -14.170 1.00 0.47 C ATOM 140 OE1 GLU A 12 3.713 -5.546 -14.280 1.00 0.51 O ATOM 141 OE2 GLU A 12 5.259 -4.170 -14.990 1.00 0.59 O ATOM 0 H GLU A 12 4.972 -4.000 -9.412 1.00 0.40 H new ATOM 0 HA GLU A 12 5.727 -6.519 -10.419 1.00 0.40 H new ATOM 0 HB2 GLU A 12 4.227 -4.943 -11.568 1.00 0.40 H new ATOM 0 HB3 GLU A 12 5.513 -3.759 -11.692 1.00 0.40 H new ATOM 0 HG2 GLU A 12 6.748 -5.120 -13.235 1.00 0.43 H new ATOM 0 HG3 GLU A 12 5.721 -6.509 -12.939 1.00 0.43 H new ATOM 148 N ARG A 13 8.082 -4.209 -10.548 1.00 0.45 N ATOM 149 CA ARG A 13 9.506 -4.010 -10.800 1.00 0.52 C ATOM 150 C ARG A 13 10.365 -4.426 -9.611 1.00 0.58 C ATOM 151 O ARG A 13 11.301 -5.207 -9.760 1.00 0.62 O ATOM 152 CB ARG A 13 9.794 -2.545 -11.129 1.00 0.56 C ATOM 153 CG ARG A 13 8.971 -1.999 -12.279 1.00 0.54 C ATOM 154 CD ARG A 13 9.368 -0.572 -12.616 1.00 0.67 C ATOM 155 NE ARG A 13 8.420 0.044 -13.541 1.00 1.25 N ATOM 156 CZ ARG A 13 8.716 1.040 -14.374 1.00 1.51 C ATOM 157 NH1 ARG A 13 9.972 1.444 -14.513 1.00 1.38 N ATOM 158 NH2 ARG A 13 7.750 1.602 -15.095 1.00 2.48 N ATOM 0 H ARG A 13 7.573 -3.360 -10.301 1.00 0.45 H new ATOM 0 HA ARG A 13 9.764 -4.643 -11.649 1.00 0.52 H new ATOM 0 HB2 ARG A 13 9.606 -1.940 -10.242 1.00 0.56 H new ATOM 0 HB3 ARG A 13 10.852 -2.438 -11.370 1.00 0.56 H new ATOM 0 HG2 ARG A 13 9.104 -2.632 -13.156 1.00 0.54 H new ATOM 0 HG3 ARG A 13 7.913 -2.032 -12.019 1.00 0.54 H new ATOM 0 HD2 ARG A 13 9.420 0.018 -11.701 1.00 0.67 H new ATOM 0 HD3 ARG A 13 10.365 -0.565 -13.057 1.00 0.67 H new ATOM 0 HE ARG A 13 7.465 -0.314 -13.549 1.00 1.25 H new ATOM 0 HH11 ARG A 13 10.715 0.991 -13.981 1.00 1.38 H new ATOM 0 HH12 ARG A 13 10.194 2.207 -15.152 1.00 1.38 H new ATOM 0 HH21 ARG A 13 6.790 1.270 -15.008 1.00 2.48 H new ATOM 0 HH22 ARG A 13 7.970 2.365 -15.735 1.00 2.48 H new ATOM 172 N PHE A 14 10.033 -3.919 -8.432 1.00 0.60 N ATOM 173 CA PHE A 14 10.936 -4.004 -7.290 1.00 0.69 C ATOM 174 C PHE A 14 10.674 -5.229 -6.419 1.00 0.71 C ATOM 175 O PHE A 14 11.609 -5.803 -5.869 1.00 0.83 O ATOM 176 CB PHE A 14 10.832 -2.738 -6.435 1.00 0.72 C ATOM 177 CG PHE A 14 11.253 -1.483 -7.146 1.00 0.73 C ATOM 178 CD1 PHE A 14 10.357 -0.794 -7.948 1.00 0.64 C ATOM 179 CD2 PHE A 14 12.545 -0.996 -7.019 1.00 0.87 C ATOM 180 CE1 PHE A 14 10.742 0.356 -8.610 1.00 0.67 C ATOM 181 CE2 PHE A 14 12.935 0.153 -7.677 1.00 0.91 C ATOM 182 CZ PHE A 14 12.031 0.847 -8.447 1.00 0.81 C ATOM 0 H PHE A 14 9.150 -3.446 -8.240 1.00 0.60 H new ATOM 0 HA PHE A 14 11.943 -4.100 -7.696 1.00 0.69 H new ATOM 0 HB2 PHE A 14 9.802 -2.624 -6.097 1.00 0.72 H new ATOM 0 HB3 PHE A 14 11.447 -2.862 -5.544 1.00 0.72 H new ATOM 0 HD1 PHE A 14 9.347 -1.160 -8.057 1.00 0.64 H new ATOM 0 HD2 PHE A 14 13.255 -1.522 -6.398 1.00 0.87 H new ATOM 0 HE1 PHE A 14 10.043 0.871 -9.252 1.00 0.67 H new ATOM 0 HE2 PHE A 14 13.951 0.507 -7.587 1.00 0.91 H new ATOM 0 HZ PHE A 14 12.323 1.771 -8.924 1.00 0.81 H new ATOM 192 N SER A 15 9.418 -5.628 -6.274 1.00 0.63 N ATOM 193 CA SER A 15 9.095 -6.709 -5.355 1.00 0.67 C ATOM 194 C SER A 15 9.085 -8.071 -6.049 1.00 0.69 C ATOM 195 O SER A 15 9.579 -9.056 -5.502 1.00 0.78 O ATOM 196 CB SER A 15 7.737 -6.443 -4.708 1.00 0.65 C ATOM 197 OG SER A 15 7.699 -5.151 -4.125 1.00 1.36 O ATOM 0 H SER A 15 8.621 -5.229 -6.770 1.00 0.63 H new ATOM 0 HA SER A 15 9.872 -6.739 -4.591 1.00 0.67 H new ATOM 0 HB2 SER A 15 6.949 -6.532 -5.456 1.00 0.65 H new ATOM 0 HB3 SER A 15 7.539 -7.196 -3.946 1.00 0.65 H new ATOM 0 HG SER A 15 6.820 -5.001 -3.718 1.00 1.36 H new ATOM 203 N LEU A 16 8.527 -8.129 -7.247 1.00 0.63 N ATOM 204 CA LEU A 16 8.454 -9.382 -7.984 1.00 0.68 C ATOM 205 C LEU A 16 9.631 -9.549 -8.933 1.00 0.79 C ATOM 206 O LEU A 16 10.156 -10.651 -9.090 1.00 0.89 O ATOM 207 CB LEU A 16 7.140 -9.473 -8.764 1.00 0.62 C ATOM 208 CG LEU A 16 5.875 -9.525 -7.907 1.00 0.60 C ATOM 209 CD1 LEU A 16 4.648 -9.656 -8.793 1.00 1.24 C ATOM 210 CD2 LEU A 16 5.945 -10.678 -6.916 1.00 1.20 C ATOM 0 H LEU A 16 8.119 -7.328 -7.729 1.00 0.63 H new ATOM 0 HA LEU A 16 8.494 -10.189 -7.252 1.00 0.68 H new ATOM 0 HB2 LEU A 16 7.072 -8.614 -9.431 1.00 0.62 H new ATOM 0 HB3 LEU A 16 7.170 -10.363 -9.393 1.00 0.62 H new ATOM 0 HG LEU A 16 5.800 -8.596 -7.342 1.00 0.60 H new ATOM 0 HD11 LEU A 16 3.753 -9.692 -8.172 1.00 1.24 H new ATOM 0 HD12 LEU A 16 4.590 -8.799 -9.463 1.00 1.24 H new ATOM 0 HD13 LEU A 16 4.719 -10.572 -9.380 1.00 1.24 H new ATOM 0 HD21 LEU A 16 5.035 -10.698 -6.316 1.00 1.20 H new ATOM 0 HD22 LEU A 16 6.042 -11.618 -7.458 1.00 1.20 H new ATOM 0 HD23 LEU A 16 6.808 -10.545 -6.263 1.00 1.20 H new ATOM 222 N LYS A 17 10.040 -8.444 -9.559 1.00 0.83 N ATOM 223 CA LYS A 17 10.981 -8.486 -10.678 1.00 0.97 C ATOM 224 C LYS A 17 10.391 -9.332 -11.801 1.00 1.01 C ATOM 225 O LYS A 17 11.100 -10.039 -12.520 1.00 1.15 O ATOM 226 CB LYS A 17 12.360 -9.029 -10.266 1.00 1.10 C ATOM 227 CG LYS A 17 13.209 -8.054 -9.463 1.00 1.13 C ATOM 228 CD LYS A 17 12.996 -8.205 -7.967 1.00 1.17 C ATOM 229 CE LYS A 17 13.947 -7.316 -7.180 1.00 1.61 C ATOM 230 NZ LYS A 17 15.372 -7.577 -7.524 1.00 2.03 N ATOM 0 H LYS A 17 9.732 -7.505 -9.308 1.00 0.83 H new ATOM 0 HA LYS A 17 11.137 -7.464 -11.023 1.00 0.97 H new ATOM 0 HB2 LYS A 17 12.218 -9.936 -9.679 1.00 1.10 H new ATOM 0 HB3 LYS A 17 12.908 -9.313 -11.165 1.00 1.10 H new ATOM 0 HG2 LYS A 17 14.262 -8.214 -9.696 1.00 1.13 H new ATOM 0 HG3 LYS A 17 12.968 -7.034 -9.761 1.00 1.13 H new ATOM 0 HD2 LYS A 17 11.966 -7.950 -7.717 1.00 1.17 H new ATOM 0 HD3 LYS A 17 13.146 -9.246 -7.680 1.00 1.17 H new ATOM 0 HE2 LYS A 17 13.712 -6.270 -7.378 1.00 1.61 H new ATOM 0 HE3 LYS A 17 13.796 -7.480 -6.113 1.00 1.61 H new ATOM 0 HZ1 LYS A 17 15.986 -7.178 -6.786 1.00 2.03 H new ATOM 0 HZ2 LYS A 17 15.531 -8.603 -7.589 1.00 2.03 H new ATOM 0 HZ3 LYS A 17 15.595 -7.133 -8.438 1.00 2.03 H new ATOM 244 N ALA A 18 9.076 -9.239 -11.941 1.00 0.95 N ATOM 245 CA ALA A 18 8.329 -10.039 -12.898 1.00 1.03 C ATOM 246 C ALA A 18 7.115 -9.256 -13.379 1.00 1.02 C ATOM 247 O ALA A 18 7.095 -8.032 -13.285 1.00 1.34 O ATOM 248 CB ALA A 18 7.908 -11.358 -12.260 1.00 1.06 C ATOM 0 H ALA A 18 8.497 -8.604 -11.392 1.00 0.95 H new ATOM 0 HA ALA A 18 8.961 -10.264 -13.757 1.00 1.03 H new ATOM 0 HB1 ALA A 18 7.349 -11.950 -12.984 1.00 1.06 H new ATOM 0 HB2 ALA A 18 8.794 -11.910 -11.946 1.00 1.06 H new ATOM 0 HB3 ALA A 18 7.279 -11.158 -11.392 1.00 1.06 H new ATOM 254 N LYS A 19 6.120 -9.950 -13.905 1.00 0.80 N ATOM 255 CA LYS A 19 4.880 -9.308 -14.317 1.00 0.77 C ATOM 256 C LYS A 19 3.852 -9.351 -13.189 1.00 0.64 C ATOM 257 O LYS A 19 3.592 -10.404 -12.605 1.00 0.74 O ATOM 258 CB LYS A 19 4.329 -9.984 -15.583 1.00 0.93 C ATOM 259 CG LYS A 19 2.949 -9.494 -16.022 1.00 1.52 C ATOM 260 CD LYS A 19 2.882 -7.977 -16.144 1.00 1.71 C ATOM 261 CE LYS A 19 3.929 -7.430 -17.097 1.00 1.93 C ATOM 262 NZ LYS A 19 3.959 -5.945 -17.077 1.00 2.69 N ATOM 0 H LYS A 19 6.145 -10.958 -14.057 1.00 0.80 H new ATOM 0 HA LYS A 19 5.087 -8.262 -14.545 1.00 0.77 H new ATOM 0 HB2 LYS A 19 5.033 -9.823 -16.400 1.00 0.93 H new ATOM 0 HB3 LYS A 19 4.280 -11.059 -15.412 1.00 0.93 H new ATOM 0 HG2 LYS A 19 2.695 -9.944 -16.982 1.00 1.52 H new ATOM 0 HG3 LYS A 19 2.202 -9.831 -15.304 1.00 1.52 H new ATOM 0 HD2 LYS A 19 1.890 -7.686 -16.491 1.00 1.71 H new ATOM 0 HD3 LYS A 19 3.020 -7.529 -15.160 1.00 1.71 H new ATOM 0 HE2 LYS A 19 4.910 -7.819 -16.824 1.00 1.93 H new ATOM 0 HE3 LYS A 19 3.719 -7.777 -18.109 1.00 1.93 H new ATOM 0 HZ1 LYS A 19 4.943 -5.617 -17.155 1.00 2.69 H new ATOM 0 HZ2 LYS A 19 3.406 -5.576 -17.877 1.00 2.69 H new ATOM 0 HZ3 LYS A 19 3.549 -5.601 -16.185 1.00 2.69 H new ATOM 276 N ILE A 20 3.283 -8.195 -12.879 1.00 0.57 N ATOM 277 CA ILE A 20 2.260 -8.103 -11.851 1.00 0.52 C ATOM 278 C ILE A 20 0.875 -8.289 -12.471 1.00 0.54 C ATOM 279 O ILE A 20 0.609 -7.811 -13.577 1.00 0.64 O ATOM 280 CB ILE A 20 2.348 -6.751 -11.086 1.00 0.56 C ATOM 281 CG1 ILE A 20 2.528 -6.996 -9.586 1.00 0.46 C ATOM 282 CG2 ILE A 20 1.131 -5.869 -11.336 1.00 0.92 C ATOM 283 CD1 ILE A 20 1.375 -7.726 -8.929 1.00 0.72 C ATOM 0 H ILE A 20 3.514 -7.308 -13.326 1.00 0.57 H new ATOM 0 HA ILE A 20 2.429 -8.900 -11.127 1.00 0.52 H new ATOM 0 HB ILE A 20 3.219 -6.219 -11.469 1.00 0.56 H new ATOM 0 HG12 ILE A 20 3.441 -7.570 -9.431 1.00 0.46 H new ATOM 0 HG13 ILE A 20 2.666 -6.037 -9.087 1.00 0.46 H new ATOM 0 HG21 ILE A 20 1.237 -4.937 -10.782 1.00 0.92 H new ATOM 0 HG22 ILE A 20 1.052 -5.651 -12.401 1.00 0.92 H new ATOM 0 HG23 ILE A 20 0.231 -6.388 -11.004 1.00 0.92 H new ATOM 0 HD11 ILE A 20 1.585 -7.858 -7.868 1.00 0.72 H new ATOM 0 HD12 ILE A 20 0.461 -7.145 -9.049 1.00 0.72 H new ATOM 0 HD13 ILE A 20 1.248 -8.702 -9.397 1.00 0.72 H new ATOM 295 N ASN A 21 0.010 -9.004 -11.761 1.00 0.58 N ATOM 296 CA ASN A 21 -1.354 -9.241 -12.214 1.00 0.72 C ATOM 297 C ASN A 21 -2.152 -9.884 -11.083 1.00 0.78 C ATOM 298 O ASN A 21 -1.597 -10.183 -10.030 1.00 0.77 O ATOM 299 CB ASN A 21 -1.357 -10.151 -13.453 1.00 0.80 C ATOM 300 CG ASN A 21 -2.582 -9.968 -14.338 1.00 1.21 C ATOM 301 OD1 ASN A 21 -3.666 -9.620 -13.870 1.00 1.78 O ATOM 302 ND2 ASN A 21 -2.415 -10.198 -15.632 1.00 1.71 N ATOM 0 H ASN A 21 0.232 -9.432 -10.862 1.00 0.58 H new ATOM 0 HA ASN A 21 -1.813 -8.292 -12.489 1.00 0.72 H new ATOM 0 HB2 ASN A 21 -0.461 -9.953 -14.041 1.00 0.80 H new ATOM 0 HB3 ASN A 21 -1.304 -11.191 -13.130 1.00 0.80 H new ATOM 0 HD21 ASN A 21 -3.199 -10.088 -16.275 1.00 1.71 H new ATOM 0 HD22 ASN A 21 -1.502 -10.485 -15.985 1.00 1.71 H new ATOM 309 N ASN A 22 -3.438 -10.112 -11.301 1.00 0.97 N ATOM 310 CA ASN A 22 -4.290 -10.744 -10.297 1.00 1.09 C ATOM 311 C ASN A 22 -3.962 -12.233 -10.187 1.00 1.03 C ATOM 312 O ASN A 22 -4.272 -12.886 -9.195 1.00 1.07 O ATOM 313 CB ASN A 22 -5.761 -10.565 -10.677 1.00 1.41 C ATOM 314 CG ASN A 22 -6.718 -10.997 -9.581 1.00 1.73 C ATOM 315 OD1 ASN A 22 -6.437 -10.846 -8.394 1.00 2.31 O ATOM 316 ND2 ASN A 22 -7.861 -11.538 -9.976 1.00 2.35 N ATOM 0 H ASN A 22 -3.919 -9.869 -12.167 1.00 0.97 H new ATOM 0 HA ASN A 22 -4.107 -10.270 -9.333 1.00 1.09 H new ATOM 0 HB2 ASN A 22 -5.943 -9.517 -10.917 1.00 1.41 H new ATOM 0 HB3 ASN A 22 -5.969 -11.140 -11.580 1.00 1.41 H new ATOM 0 HD21 ASN A 22 -8.545 -11.846 -9.285 1.00 2.35 H new ATOM 0 HD22 ASN A 22 -8.057 -11.646 -10.971 1.00 2.35 H new ATOM 323 N THR A 23 -3.307 -12.754 -11.212 1.00 1.00 N ATOM 324 CA THR A 23 -3.023 -14.177 -11.300 1.00 1.05 C ATOM 325 C THR A 23 -1.692 -14.544 -10.643 1.00 1.02 C ATOM 326 O THR A 23 -1.270 -15.700 -10.679 1.00 1.21 O ATOM 327 CB THR A 23 -3.015 -14.621 -12.767 1.00 1.19 C ATOM 328 OG1 THR A 23 -2.229 -13.703 -13.544 1.00 1.51 O ATOM 329 CG2 THR A 23 -4.430 -14.677 -13.321 1.00 1.79 C ATOM 0 H THR A 23 -2.960 -12.208 -12.000 1.00 1.00 H new ATOM 0 HA THR A 23 -3.812 -14.698 -10.758 1.00 1.05 H new ATOM 0 HB THR A 23 -2.580 -15.619 -12.825 1.00 1.19 H new ATOM 0 HG1 THR A 23 -2.223 -13.989 -14.481 1.00 1.51 H new ATOM 0 HG21 THR A 23 -4.400 -14.994 -14.363 1.00 1.79 H new ATOM 0 HG22 THR A 23 -5.020 -15.388 -12.742 1.00 1.79 H new ATOM 0 HG23 THR A 23 -4.886 -13.689 -13.255 1.00 1.79 H new ATOM 337 N THR A 24 -1.031 -13.562 -10.044 1.00 0.87 N ATOM 338 CA THR A 24 0.223 -13.812 -9.349 1.00 0.91 C ATOM 339 C THR A 24 -0.064 -14.197 -7.895 1.00 0.98 C ATOM 340 O THR A 24 -1.206 -14.103 -7.436 1.00 1.91 O ATOM 341 CB THR A 24 1.153 -12.581 -9.409 1.00 0.88 C ATOM 342 OG1 THR A 24 2.488 -12.938 -9.032 1.00 1.37 O ATOM 343 CG2 THR A 24 0.660 -11.461 -8.505 1.00 1.74 C ATOM 0 H THR A 24 -1.341 -12.590 -10.026 1.00 0.87 H new ATOM 0 HA THR A 24 0.736 -14.636 -9.846 1.00 0.91 H new ATOM 0 HB THR A 24 1.147 -12.224 -10.439 1.00 0.88 H new ATOM 0 HG1 THR A 24 3.064 -12.146 -9.078 1.00 1.37 H new ATOM 0 HG21 THR A 24 1.340 -10.612 -8.574 1.00 1.74 H new ATOM 0 HG22 THR A 24 -0.338 -11.153 -8.818 1.00 1.74 H new ATOM 0 HG23 THR A 24 0.624 -11.814 -7.474 1.00 1.74 H new ATOM 351 N ASN A 25 0.962 -14.630 -7.171 1.00 0.72 N ATOM 352 CA ASN A 25 0.800 -15.047 -5.778 1.00 0.79 C ATOM 353 C ASN A 25 0.731 -13.832 -4.854 1.00 0.73 C ATOM 354 O ASN A 25 1.442 -13.758 -3.850 1.00 0.72 O ATOM 355 CB ASN A 25 1.951 -15.969 -5.351 1.00 1.00 C ATOM 356 CG ASN A 25 1.968 -17.276 -6.122 1.00 1.96 C ATOM 357 OD1 ASN A 25 1.322 -18.249 -5.733 1.00 2.69 O ATOM 358 ND2 ASN A 25 2.715 -17.315 -7.217 1.00 2.58 N ATOM 0 H ASN A 25 1.916 -14.702 -7.523 1.00 0.72 H new ATOM 0 HA ASN A 25 -0.137 -15.598 -5.698 1.00 0.79 H new ATOM 0 HB2 ASN A 25 2.899 -15.452 -5.498 1.00 1.00 H new ATOM 0 HB3 ASN A 25 1.866 -16.181 -4.285 1.00 1.00 H new ATOM 0 HD21 ASN A 25 2.768 -18.172 -7.768 1.00 2.58 H new ATOM 0 HD22 ASN A 25 3.237 -16.488 -7.508 1.00 2.58 H new ATOM 365 N LEU A 26 -0.163 -12.901 -5.189 1.00 0.82 N ATOM 366 CA LEU A 26 -0.297 -11.637 -4.466 1.00 0.88 C ATOM 367 C LEU A 26 -0.689 -11.856 -3.007 1.00 0.83 C ATOM 368 O LEU A 26 -0.425 -11.005 -2.156 1.00 0.86 O ATOM 369 CB LEU A 26 -1.310 -10.724 -5.176 1.00 1.08 C ATOM 370 CG LEU A 26 -2.643 -11.379 -5.570 1.00 1.91 C ATOM 371 CD1 LEU A 26 -3.593 -11.464 -4.386 1.00 2.89 C ATOM 372 CD2 LEU A 26 -3.291 -10.614 -6.710 1.00 2.33 C ATOM 0 H LEU A 26 -0.813 -13.002 -5.968 1.00 0.82 H new ATOM 0 HA LEU A 26 0.677 -11.148 -4.465 1.00 0.88 H new ATOM 0 HB2 LEU A 26 -1.523 -9.875 -4.526 1.00 1.08 H new ATOM 0 HB3 LEU A 26 -0.842 -10.326 -6.077 1.00 1.08 H new ATOM 0 HG LEU A 26 -2.429 -12.395 -5.900 1.00 1.91 H new ATOM 0 HD11 LEU A 26 -4.526 -11.932 -4.701 1.00 2.89 H new ATOM 0 HD12 LEU A 26 -3.137 -12.059 -3.595 1.00 2.89 H new ATOM 0 HD13 LEU A 26 -3.799 -10.461 -4.012 1.00 2.89 H new ATOM 0 HD21 LEU A 26 -4.234 -11.090 -6.978 1.00 2.33 H new ATOM 0 HD22 LEU A 26 -3.479 -9.587 -6.398 1.00 2.33 H new ATOM 0 HD23 LEU A 26 -2.626 -10.615 -7.574 1.00 2.33 H new ATOM 384 N ASP A 27 -1.309 -12.998 -2.729 1.00 0.81 N ATOM 385 CA ASP A 27 -1.668 -13.367 -1.364 1.00 0.84 C ATOM 386 C ASP A 27 -0.413 -13.442 -0.506 1.00 0.70 C ATOM 387 O ASP A 27 -0.307 -12.789 0.533 1.00 0.67 O ATOM 388 CB ASP A 27 -2.393 -14.720 -1.364 1.00 1.02 C ATOM 389 CG ASP A 27 -2.697 -15.241 0.031 1.00 1.52 C ATOM 390 OD1 ASP A 27 -1.801 -15.839 0.657 1.00 2.28 O ATOM 391 OD2 ASP A 27 -3.843 -15.068 0.500 1.00 2.00 O ATOM 0 H ASP A 27 -1.574 -13.686 -3.433 1.00 0.81 H new ATOM 0 HA ASP A 27 -2.335 -12.611 -0.949 1.00 0.84 H new ATOM 0 HB2 ASP A 27 -3.326 -14.624 -1.919 1.00 1.02 H new ATOM 0 HB3 ASP A 27 -1.781 -15.452 -1.892 1.00 1.02 H new ATOM 396 N TYR A 28 0.561 -14.200 -0.984 1.00 0.69 N ATOM 397 CA TYR A 28 1.818 -14.369 -0.277 1.00 0.70 C ATOM 398 C TYR A 28 2.662 -13.108 -0.389 1.00 0.63 C ATOM 399 O TYR A 28 3.409 -12.765 0.528 1.00 0.68 O ATOM 400 CB TYR A 28 2.573 -15.580 -0.829 1.00 0.81 C ATOM 401 CG TYR A 28 1.776 -16.864 -0.737 1.00 1.05 C ATOM 402 CD1 TYR A 28 1.817 -17.653 0.408 1.00 1.16 C ATOM 403 CD2 TYR A 28 1.000 -17.300 -1.806 1.00 1.57 C ATOM 404 CE1 TYR A 28 1.109 -18.836 0.484 1.00 1.61 C ATOM 405 CE2 TYR A 28 0.285 -18.481 -1.733 1.00 2.15 C ATOM 406 CZ TYR A 28 0.277 -19.200 -0.553 1.00 2.13 C ATOM 407 OH TYR A 28 -0.356 -20.428 -0.512 1.00 2.73 O ATOM 0 H TYR A 28 0.503 -14.711 -1.865 1.00 0.69 H new ATOM 0 HA TYR A 28 1.609 -14.545 0.778 1.00 0.70 H new ATOM 0 HB2 TYR A 28 2.835 -15.395 -1.871 1.00 0.81 H new ATOM 0 HB3 TYR A 28 3.508 -15.699 -0.282 1.00 0.81 H new ATOM 0 HD1 TYR A 28 2.412 -17.335 1.251 1.00 1.16 H new ATOM 0 HD2 TYR A 28 0.955 -16.707 -2.707 1.00 1.57 H new ATOM 0 HE1 TYR A 28 1.207 -19.473 1.351 1.00 1.61 H new ATOM 0 HE2 TYR A 28 -0.263 -18.839 -2.592 1.00 2.15 H new ATOM 0 HH TYR A 28 -0.909 -20.538 -1.314 1.00 2.73 H new ATOM 417 N SER A 29 2.516 -12.406 -1.508 1.00 0.59 N ATOM 418 CA SER A 29 3.256 -11.175 -1.735 1.00 0.62 C ATOM 419 C SER A 29 2.892 -10.122 -0.696 1.00 0.51 C ATOM 420 O SER A 29 3.738 -9.335 -0.291 1.00 0.53 O ATOM 421 CB SER A 29 2.979 -10.620 -3.128 1.00 0.73 C ATOM 422 OG SER A 29 3.195 -11.594 -4.131 1.00 0.81 O ATOM 0 H SER A 29 1.892 -12.670 -2.270 1.00 0.59 H new ATOM 0 HA SER A 29 4.316 -11.413 -1.649 1.00 0.62 H new ATOM 0 HB2 SER A 29 1.950 -10.265 -3.181 1.00 0.73 H new ATOM 0 HB3 SER A 29 3.622 -9.759 -3.312 1.00 0.73 H new ATOM 0 HG SER A 29 2.528 -12.307 -4.044 1.00 0.81 H new ATOM 428 N ARG A 30 1.627 -10.079 -0.287 1.00 0.48 N ATOM 429 CA ARG A 30 1.218 -9.147 0.753 1.00 0.45 C ATOM 430 C ARG A 30 1.649 -9.647 2.114 1.00 0.46 C ATOM 431 O ARG A 30 2.283 -8.923 2.873 1.00 0.56 O ATOM 432 CB ARG A 30 -0.292 -8.888 0.749 1.00 0.52 C ATOM 433 CG ARG A 30 -0.789 -7.946 -0.341 1.00 0.49 C ATOM 434 CD ARG A 30 0.041 -6.665 -0.447 1.00 0.76 C ATOM 435 NE ARG A 30 1.395 -6.905 -0.956 1.00 1.55 N ATOM 436 CZ ARG A 30 1.708 -7.002 -2.249 1.00 2.24 C ATOM 437 NH1 ARG A 30 0.769 -6.857 -3.179 1.00 2.43 N ATOM 438 NH2 ARG A 30 2.963 -7.249 -2.609 1.00 3.24 N ATOM 0 H ARG A 30 0.880 -10.669 -0.654 1.00 0.48 H new ATOM 0 HA ARG A 30 1.713 -8.200 0.538 1.00 0.45 H new ATOM 0 HB2 ARG A 30 -0.807 -9.843 0.644 1.00 0.52 H new ATOM 0 HB3 ARG A 30 -0.576 -8.478 1.718 1.00 0.52 H new ATOM 0 HG2 ARG A 30 -0.770 -8.465 -1.299 1.00 0.49 H new ATOM 0 HG3 ARG A 30 -1.828 -7.684 -0.141 1.00 0.49 H new ATOM 0 HD2 ARG A 30 -0.469 -5.960 -1.104 1.00 0.76 H new ATOM 0 HD3 ARG A 30 0.105 -6.197 0.535 1.00 0.76 H new ATOM 0 HE ARG A 30 2.148 -7.004 -0.276 1.00 1.55 H new ATOM 0 HH11 ARG A 30 -0.196 -6.671 -2.905 1.00 2.43 H new ATOM 0 HH12 ARG A 30 1.013 -6.932 -4.166 1.00 2.43 H new ATOM 0 HH21 ARG A 30 3.685 -7.364 -1.897 1.00 3.24 H new ATOM 0 HH22 ARG A 30 3.205 -7.324 -3.597 1.00 3.24 H new ATOM 452 N ARG A 31 1.332 -10.897 2.402 1.00 0.45 N ATOM 453 CA ARG A 31 1.580 -11.460 3.718 1.00 0.47 C ATOM 454 C ARG A 31 3.059 -11.364 4.107 1.00 0.45 C ATOM 455 O ARG A 31 3.388 -11.061 5.256 1.00 0.50 O ATOM 456 CB ARG A 31 1.108 -12.912 3.764 1.00 0.53 C ATOM 457 CG ARG A 31 -0.402 -13.050 3.687 1.00 1.14 C ATOM 458 CD ARG A 31 -0.819 -14.439 3.237 1.00 1.21 C ATOM 459 NE ARG A 31 -0.385 -15.487 4.156 1.00 1.89 N ATOM 460 CZ ARG A 31 -0.584 -16.788 3.939 1.00 2.16 C ATOM 461 NH1 ARG A 31 -1.172 -17.203 2.821 1.00 1.87 N ATOM 462 NH2 ARG A 31 -0.177 -17.677 4.833 1.00 3.18 N ATOM 0 H ARG A 31 0.901 -11.543 1.741 1.00 0.45 H new ATOM 0 HA ARG A 31 1.014 -10.876 4.444 1.00 0.47 H new ATOM 0 HB2 ARG A 31 1.560 -13.461 2.938 1.00 0.53 H new ATOM 0 HB3 ARG A 31 1.463 -13.374 4.685 1.00 0.53 H new ATOM 0 HG2 ARG A 31 -0.837 -12.839 4.664 1.00 1.14 H new ATOM 0 HG3 ARG A 31 -0.800 -12.309 2.994 1.00 1.14 H new ATOM 0 HD2 ARG A 31 -1.904 -14.474 3.140 1.00 1.21 H new ATOM 0 HD3 ARG A 31 -0.404 -14.635 2.248 1.00 1.21 H new ATOM 0 HE ARG A 31 0.097 -15.209 5.011 1.00 1.89 H new ATOM 0 HH11 ARG A 31 -1.474 -16.525 2.122 1.00 1.87 H new ATOM 0 HH12 ARG A 31 -1.321 -18.200 2.663 1.00 1.87 H new ATOM 0 HH21 ARG A 31 0.288 -17.366 5.686 1.00 3.18 H new ATOM 0 HH22 ARG A 31 -0.329 -18.672 4.668 1.00 3.18 H new ATOM 476 N PHE A 32 3.944 -11.601 3.142 1.00 0.45 N ATOM 477 CA PHE A 32 5.383 -11.539 3.381 1.00 0.53 C ATOM 478 C PHE A 32 5.868 -10.086 3.411 1.00 0.53 C ATOM 479 O PHE A 32 6.880 -9.763 4.037 1.00 0.57 O ATOM 480 CB PHE A 32 6.116 -12.357 2.298 1.00 0.66 C ATOM 481 CG PHE A 32 7.093 -11.581 1.457 1.00 0.57 C ATOM 482 CD1 PHE A 32 6.682 -10.972 0.284 1.00 0.88 C ATOM 483 CD2 PHE A 32 8.422 -11.474 1.835 1.00 0.66 C ATOM 484 CE1 PHE A 32 7.576 -10.266 -0.495 1.00 1.10 C ATOM 485 CE2 PHE A 32 9.321 -10.771 1.060 1.00 0.93 C ATOM 486 CZ PHE A 32 8.896 -10.166 -0.107 1.00 1.08 C ATOM 0 H PHE A 32 3.688 -11.839 2.184 1.00 0.45 H new ATOM 0 HA PHE A 32 5.606 -11.972 4.356 1.00 0.53 H new ATOM 0 HB2 PHE A 32 6.649 -13.175 2.783 1.00 0.66 H new ATOM 0 HB3 PHE A 32 5.372 -12.806 1.640 1.00 0.66 H new ATOM 0 HD1 PHE A 32 5.650 -11.050 -0.025 1.00 0.88 H new ATOM 0 HD2 PHE A 32 8.758 -11.946 2.746 1.00 0.66 H new ATOM 0 HE1 PHE A 32 7.243 -9.793 -1.407 1.00 1.10 H new ATOM 0 HE2 PHE A 32 10.354 -10.694 1.365 1.00 0.93 H new ATOM 0 HZ PHE A 32 9.597 -9.615 -0.716 1.00 1.08 H new ATOM 496 N LEU A 33 5.113 -9.217 2.762 1.00 0.51 N ATOM 497 CA LEU A 33 5.488 -7.817 2.611 1.00 0.53 C ATOM 498 C LEU A 33 5.006 -6.998 3.805 1.00 0.45 C ATOM 499 O LEU A 33 5.355 -5.827 3.945 1.00 0.44 O ATOM 500 CB LEU A 33 4.917 -7.250 1.309 1.00 0.60 C ATOM 501 CG LEU A 33 5.681 -6.065 0.716 1.00 0.93 C ATOM 502 CD1 LEU A 33 7.085 -6.488 0.318 1.00 0.92 C ATOM 503 CD2 LEU A 33 4.938 -5.499 -0.484 1.00 1.70 C ATOM 0 H LEU A 33 4.224 -9.459 2.325 1.00 0.51 H new ATOM 0 HA LEU A 33 6.575 -7.755 2.570 1.00 0.53 H new ATOM 0 HB2 LEU A 33 4.887 -8.048 0.568 1.00 0.60 H new ATOM 0 HB3 LEU A 33 3.887 -6.943 1.488 1.00 0.60 H new ATOM 0 HG LEU A 33 5.754 -5.286 1.475 1.00 0.93 H new ATOM 0 HD11 LEU A 33 7.617 -5.634 -0.102 1.00 0.92 H new ATOM 0 HD12 LEU A 33 7.618 -6.851 1.197 1.00 0.92 H new ATOM 0 HD13 LEU A 33 7.028 -7.283 -0.426 1.00 0.92 H new ATOM 0 HD21 LEU A 33 5.496 -4.657 -0.893 1.00 1.70 H new ATOM 0 HD22 LEU A 33 4.836 -6.271 -1.246 1.00 1.70 H new ATOM 0 HD23 LEU A 33 3.949 -5.163 -0.174 1.00 1.70 H new ATOM 515 N GLU A 34 4.200 -7.630 4.658 1.00 0.39 N ATOM 516 CA GLU A 34 3.563 -6.948 5.786 1.00 0.35 C ATOM 517 C GLU A 34 4.590 -6.194 6.652 1.00 0.35 C ATOM 518 O GLU A 34 4.464 -4.983 6.833 1.00 0.30 O ATOM 519 CB GLU A 34 2.789 -7.953 6.648 1.00 0.39 C ATOM 520 CG GLU A 34 2.124 -7.332 7.864 1.00 0.43 C ATOM 521 CD GLU A 34 1.781 -8.358 8.922 1.00 0.78 C ATOM 522 OE1 GLU A 34 0.787 -9.089 8.742 1.00 1.17 O ATOM 523 OE2 GLU A 34 2.501 -8.440 9.938 1.00 1.26 O ATOM 0 H GLU A 34 3.971 -8.622 4.588 1.00 0.39 H new ATOM 0 HA GLU A 34 2.869 -6.214 5.375 1.00 0.35 H new ATOM 0 HB2 GLU A 34 2.027 -8.433 6.034 1.00 0.39 H new ATOM 0 HB3 GLU A 34 3.472 -8.736 6.979 1.00 0.39 H new ATOM 0 HG2 GLU A 34 2.787 -6.580 8.293 1.00 0.43 H new ATOM 0 HG3 GLU A 34 1.215 -6.816 7.554 1.00 0.43 H new ATOM 530 N PRO A 35 5.636 -6.877 7.181 1.00 0.43 N ATOM 531 CA PRO A 35 6.658 -6.217 8.003 1.00 0.48 C ATOM 532 C PRO A 35 7.514 -5.240 7.199 1.00 0.45 C ATOM 533 O PRO A 35 8.130 -4.335 7.758 1.00 0.47 O ATOM 534 CB PRO A 35 7.512 -7.373 8.531 1.00 0.63 C ATOM 535 CG PRO A 35 7.300 -8.483 7.562 1.00 0.79 C ATOM 536 CD PRO A 35 5.896 -8.327 7.048 1.00 0.50 C ATOM 0 HA PRO A 35 6.208 -5.615 8.793 1.00 0.48 H new ATOM 0 HB2 PRO A 35 8.564 -7.093 8.586 1.00 0.63 H new ATOM 0 HB3 PRO A 35 7.206 -7.663 9.536 1.00 0.63 H new ATOM 0 HG2 PRO A 35 8.021 -8.431 6.746 1.00 0.79 H new ATOM 0 HG3 PRO A 35 7.433 -9.452 8.044 1.00 0.79 H new ATOM 0 HD2 PRO A 35 5.809 -8.657 6.013 1.00 0.50 H new ATOM 0 HD3 PRO A 35 5.188 -8.916 7.631 1.00 0.50 H new ATOM 544 N PHE A 36 7.547 -5.430 5.886 1.00 0.44 N ATOM 545 CA PHE A 36 8.333 -4.572 5.010 1.00 0.49 C ATOM 546 C PHE A 36 7.657 -3.221 4.835 1.00 0.39 C ATOM 547 O PHE A 36 8.317 -2.187 4.745 1.00 0.43 O ATOM 548 CB PHE A 36 8.542 -5.251 3.651 1.00 0.62 C ATOM 549 CG PHE A 36 9.439 -4.487 2.714 1.00 0.66 C ATOM 550 CD1 PHE A 36 10.814 -4.506 2.885 1.00 0.79 C ATOM 551 CD2 PHE A 36 8.908 -3.755 1.663 1.00 1.36 C ATOM 552 CE1 PHE A 36 11.643 -3.808 2.026 1.00 1.21 C ATOM 553 CE2 PHE A 36 9.731 -3.058 0.801 1.00 2.02 C ATOM 554 CZ PHE A 36 11.100 -3.084 0.983 1.00 1.87 C ATOM 0 H PHE A 36 7.038 -6.171 5.405 1.00 0.44 H new ATOM 0 HA PHE A 36 9.308 -4.407 5.470 1.00 0.49 H new ATOM 0 HB2 PHE A 36 8.964 -6.243 3.813 1.00 0.62 H new ATOM 0 HB3 PHE A 36 7.572 -5.392 3.174 1.00 0.62 H new ATOM 0 HD1 PHE A 36 11.243 -5.072 3.698 1.00 0.79 H new ATOM 0 HD2 PHE A 36 7.838 -3.730 1.517 1.00 1.36 H new ATOM 0 HE1 PHE A 36 12.713 -3.829 2.171 1.00 1.21 H new ATOM 0 HE2 PHE A 36 9.305 -2.493 -0.015 1.00 2.02 H new ATOM 0 HZ PHE A 36 11.745 -2.539 0.310 1.00 1.87 H new ATOM 564 N LEU A 37 6.336 -3.243 4.807 1.00 0.30 N ATOM 565 CA LEU A 37 5.553 -2.034 4.606 1.00 0.29 C ATOM 566 C LEU A 37 5.257 -1.351 5.932 1.00 0.24 C ATOM 567 O LEU A 37 4.928 -0.167 5.974 1.00 0.27 O ATOM 568 CB LEU A 37 4.254 -2.388 3.893 1.00 0.31 C ATOM 569 CG LEU A 37 4.444 -3.092 2.549 1.00 0.57 C ATOM 570 CD1 LEU A 37 3.121 -3.619 2.040 1.00 0.90 C ATOM 571 CD2 LEU A 37 5.082 -2.157 1.526 1.00 1.18 C ATOM 0 H LEU A 37 5.779 -4.090 4.922 1.00 0.30 H new ATOM 0 HA LEU A 37 6.128 -1.340 3.993 1.00 0.29 H new ATOM 0 HB2 LEU A 37 3.659 -3.028 4.544 1.00 0.31 H new ATOM 0 HB3 LEU A 37 3.681 -1.475 3.733 1.00 0.31 H new ATOM 0 HG LEU A 37 5.119 -3.935 2.698 1.00 0.57 H new ATOM 0 HD11 LEU A 37 3.272 -4.118 1.083 1.00 0.90 H new ATOM 0 HD12 LEU A 37 2.712 -4.329 2.758 1.00 0.90 H new ATOM 0 HD13 LEU A 37 2.424 -2.790 1.912 1.00 0.90 H new ATOM 0 HD21 LEU A 37 5.206 -2.683 0.579 1.00 1.18 H new ATOM 0 HD22 LEU A 37 4.441 -1.288 1.377 1.00 1.18 H new ATOM 0 HD23 LEU A 37 6.056 -1.830 1.889 1.00 1.18 H new ATOM 583 N ARG A 38 5.356 -2.111 7.009 1.00 0.24 N ATOM 584 CA ARG A 38 5.143 -1.595 8.352 1.00 0.31 C ATOM 585 C ARG A 38 6.117 -0.457 8.669 1.00 0.30 C ATOM 586 O ARG A 38 7.273 -0.696 9.019 1.00 0.41 O ATOM 587 CB ARG A 38 5.313 -2.738 9.354 1.00 0.44 C ATOM 588 CG ARG A 38 5.075 -2.346 10.800 1.00 0.82 C ATOM 589 CD ARG A 38 5.228 -3.542 11.719 1.00 1.06 C ATOM 590 NE ARG A 38 4.954 -3.203 13.110 1.00 2.16 N ATOM 591 CZ ARG A 38 5.290 -3.975 14.139 1.00 2.73 C ATOM 592 NH1 ARG A 38 5.947 -5.110 13.938 1.00 2.36 N ATOM 593 NH2 ARG A 38 4.982 -3.604 15.374 1.00 3.90 N ATOM 0 H ARG A 38 5.586 -3.104 6.978 1.00 0.24 H new ATOM 0 HA ARG A 38 4.134 -1.190 8.421 1.00 0.31 H new ATOM 0 HB2 ARG A 38 4.625 -3.541 9.090 1.00 0.44 H new ATOM 0 HB3 ARG A 38 6.322 -3.139 9.261 1.00 0.44 H new ATOM 0 HG2 ARG A 38 5.780 -1.567 11.090 1.00 0.82 H new ATOM 0 HG3 ARG A 38 4.075 -1.926 10.907 1.00 0.82 H new ATOM 0 HD2 ARG A 38 4.550 -4.334 11.399 1.00 1.06 H new ATOM 0 HD3 ARG A 38 6.241 -3.936 11.635 1.00 1.06 H new ATOM 0 HE ARG A 38 4.477 -2.323 13.305 1.00 2.16 H new ATOM 0 HH11 ARG A 38 6.197 -5.394 12.991 1.00 2.36 H new ATOM 0 HH12 ARG A 38 6.202 -5.699 14.731 1.00 2.36 H new ATOM 0 HH21 ARG A 38 4.487 -2.727 15.535 1.00 3.90 H new ATOM 0 HH22 ARG A 38 5.240 -4.196 16.164 1.00 3.90 H new ATOM 607 N GLY A 39 5.646 0.775 8.529 1.00 0.28 N ATOM 608 CA GLY A 39 6.468 1.923 8.848 1.00 0.31 C ATOM 609 C GLY A 39 6.829 2.747 7.626 1.00 0.28 C ATOM 610 O GLY A 39 7.839 3.455 7.626 1.00 0.35 O ATOM 0 H GLY A 39 4.707 0.999 8.199 1.00 0.28 H new ATOM 0 HA2 GLY A 39 5.940 2.554 9.563 1.00 0.31 H new ATOM 0 HA3 GLY A 39 7.382 1.585 9.335 1.00 0.31 H new ATOM 614 N ILE A 40 6.006 2.672 6.584 1.00 0.24 N ATOM 615 CA ILE A 40 6.254 3.446 5.365 1.00 0.22 C ATOM 616 C ILE A 40 5.134 4.456 5.153 1.00 0.21 C ATOM 617 O ILE A 40 4.191 4.509 5.933 1.00 0.21 O ATOM 618 CB ILE A 40 6.389 2.563 4.096 1.00 0.21 C ATOM 619 CG1 ILE A 40 5.050 1.920 3.730 1.00 0.18 C ATOM 620 CG2 ILE A 40 7.455 1.496 4.305 1.00 0.21 C ATOM 621 CD1 ILE A 40 5.036 1.252 2.371 1.00 0.19 C ATOM 0 H ILE A 40 5.169 2.090 6.555 1.00 0.24 H new ATOM 0 HA ILE A 40 7.208 3.953 5.511 1.00 0.22 H new ATOM 0 HB ILE A 40 6.693 3.202 3.267 1.00 0.21 H new ATOM 0 HG12 ILE A 40 4.795 1.181 4.489 1.00 0.18 H new ATOM 0 HG13 ILE A 40 4.273 2.684 3.755 1.00 0.18 H new ATOM 0 HG21 ILE A 40 7.539 0.884 3.407 1.00 0.21 H new ATOM 0 HG22 ILE A 40 8.413 1.974 4.509 1.00 0.21 H new ATOM 0 HG23 ILE A 40 7.177 0.865 5.149 1.00 0.21 H new ATOM 0 HD11 ILE A 40 4.052 0.821 2.188 1.00 0.19 H new ATOM 0 HD12 ILE A 40 5.258 1.990 1.600 1.00 0.19 H new ATOM 0 HD13 ILE A 40 5.788 0.463 2.346 1.00 0.19 H new ATOM 633 N ASN A 41 5.253 5.277 4.126 1.00 0.21 N ATOM 634 CA ASN A 41 4.203 6.228 3.786 1.00 0.20 C ATOM 635 C ASN A 41 3.940 6.210 2.282 1.00 0.16 C ATOM 636 O ASN A 41 4.869 6.177 1.474 1.00 0.18 O ATOM 637 CB ASN A 41 4.565 7.645 4.258 1.00 0.29 C ATOM 638 CG ASN A 41 5.830 8.189 3.619 1.00 0.99 C ATOM 639 OD1 ASN A 41 6.757 7.443 3.308 1.00 2.00 O ATOM 640 ND2 ASN A 41 5.883 9.499 3.429 1.00 1.23 N ATOM 0 H ASN A 41 6.066 5.307 3.510 1.00 0.21 H new ATOM 0 HA ASN A 41 3.291 5.929 4.303 1.00 0.20 H new ATOM 0 HB2 ASN A 41 3.736 8.317 4.035 1.00 0.29 H new ATOM 0 HB3 ASN A 41 4.688 7.639 5.341 1.00 0.29 H new ATOM 0 HD21 ASN A 41 6.713 9.921 3.012 1.00 1.23 H new ATOM 0 HD22 ASN A 41 5.094 10.086 3.700 1.00 1.23 H new ATOM 647 N VAL A 42 2.666 6.222 1.919 1.00 0.13 N ATOM 648 CA VAL A 42 2.259 6.134 0.521 1.00 0.14 C ATOM 649 C VAL A 42 1.178 7.163 0.217 1.00 0.15 C ATOM 650 O VAL A 42 0.360 7.484 1.077 1.00 0.18 O ATOM 651 CB VAL A 42 1.728 4.724 0.158 1.00 0.16 C ATOM 652 CG1 VAL A 42 2.838 3.687 0.240 1.00 0.17 C ATOM 653 CG2 VAL A 42 0.563 4.331 1.058 1.00 0.19 C ATOM 0 H VAL A 42 1.890 6.292 2.577 1.00 0.13 H new ATOM 0 HA VAL A 42 3.146 6.333 -0.081 1.00 0.14 H new ATOM 0 HB VAL A 42 1.368 4.759 -0.870 1.00 0.16 H new ATOM 0 HG11 VAL A 42 2.439 2.706 -0.019 1.00 0.17 H new ATOM 0 HG12 VAL A 42 3.634 3.951 -0.456 1.00 0.17 H new ATOM 0 HG13 VAL A 42 3.237 3.660 1.254 1.00 0.17 H new ATOM 0 HG21 VAL A 42 0.209 3.338 0.782 1.00 0.19 H new ATOM 0 HG22 VAL A 42 0.892 4.323 2.097 1.00 0.19 H new ATOM 0 HG23 VAL A 42 -0.247 5.051 0.939 1.00 0.19 H new ATOM 663 N VAL A 43 1.186 7.687 -0.995 1.00 0.18 N ATOM 664 CA VAL A 43 0.173 8.636 -1.416 1.00 0.22 C ATOM 665 C VAL A 43 -0.982 7.917 -2.102 1.00 0.20 C ATOM 666 O VAL A 43 -0.822 7.311 -3.160 1.00 0.20 O ATOM 667 CB VAL A 43 0.747 9.728 -2.347 1.00 0.28 C ATOM 668 CG1 VAL A 43 1.554 10.732 -1.543 1.00 0.88 C ATOM 669 CG2 VAL A 43 1.609 9.124 -3.443 1.00 0.75 C ATOM 0 H VAL A 43 1.884 7.471 -1.706 1.00 0.18 H new ATOM 0 HA VAL A 43 -0.195 9.131 -0.517 1.00 0.22 H new ATOM 0 HB VAL A 43 -0.092 10.239 -2.820 1.00 0.28 H new ATOM 0 HG11 VAL A 43 1.953 11.496 -2.210 1.00 0.88 H new ATOM 0 HG12 VAL A 43 0.912 11.201 -0.797 1.00 0.88 H new ATOM 0 HG13 VAL A 43 2.377 10.221 -1.044 1.00 0.88 H new ATOM 0 HG21 VAL A 43 1.997 9.919 -4.080 1.00 0.75 H new ATOM 0 HG22 VAL A 43 2.440 8.580 -2.994 1.00 0.75 H new ATOM 0 HG23 VAL A 43 1.009 8.439 -4.042 1.00 0.75 H new ATOM 679 N TYR A 44 -2.141 7.981 -1.483 1.00 0.21 N ATOM 680 CA TYR A 44 -3.328 7.323 -1.993 1.00 0.22 C ATOM 681 C TYR A 44 -4.074 8.253 -2.938 1.00 0.22 C ATOM 682 O TYR A 44 -4.573 9.304 -2.528 1.00 0.24 O ATOM 683 CB TYR A 44 -4.227 6.905 -0.823 1.00 0.27 C ATOM 684 CG TYR A 44 -5.578 6.350 -1.226 1.00 0.32 C ATOM 685 CD1 TYR A 44 -5.731 5.003 -1.536 1.00 0.39 C ATOM 686 CD2 TYR A 44 -6.695 7.171 -1.307 1.00 0.42 C ATOM 687 CE1 TYR A 44 -6.958 4.492 -1.910 1.00 0.47 C ATOM 688 CE2 TYR A 44 -7.927 6.664 -1.682 1.00 0.50 C ATOM 689 CZ TYR A 44 -8.066 5.337 -1.948 1.00 0.50 C ATOM 690 OH TYR A 44 -9.273 4.816 -2.355 1.00 0.59 O ATOM 0 H TYR A 44 -2.289 8.490 -0.612 1.00 0.21 H new ATOM 0 HA TYR A 44 -3.038 6.431 -2.548 1.00 0.22 H new ATOM 0 HB2 TYR A 44 -3.703 6.154 -0.231 1.00 0.27 H new ATOM 0 HB3 TYR A 44 -4.383 7.769 -0.176 1.00 0.27 H new ATOM 0 HD1 TYR A 44 -4.876 4.346 -1.483 1.00 0.39 H new ATOM 0 HD2 TYR A 44 -6.601 8.221 -1.074 1.00 0.42 H new ATOM 0 HE1 TYR A 44 -7.058 3.449 -2.170 1.00 0.47 H new ATOM 0 HE2 TYR A 44 -8.779 7.323 -1.764 1.00 0.50 H new ATOM 0 HH TYR A 44 -9.163 3.867 -2.572 1.00 0.59 H new ATOM 700 N THR A 45 -4.124 7.868 -4.201 1.00 0.24 N ATOM 701 CA THR A 45 -4.824 8.639 -5.209 1.00 0.28 C ATOM 702 C THR A 45 -6.217 8.064 -5.439 1.00 0.28 C ATOM 703 O THR A 45 -6.363 6.983 -6.014 1.00 0.30 O ATOM 704 CB THR A 45 -4.040 8.657 -6.535 1.00 0.36 C ATOM 705 OG1 THR A 45 -3.639 7.325 -6.888 1.00 1.08 O ATOM 706 CG2 THR A 45 -2.814 9.554 -6.428 1.00 1.10 C ATOM 0 H THR A 45 -3.683 7.018 -4.553 1.00 0.24 H new ATOM 0 HA THR A 45 -4.913 9.664 -4.848 1.00 0.28 H new ATOM 0 HB THR A 45 -4.693 9.055 -7.312 1.00 0.36 H new ATOM 0 HG1 THR A 45 -4.373 6.702 -6.702 1.00 1.08 H new ATOM 0 HG21 THR A 45 -2.277 9.550 -7.376 1.00 1.10 H new ATOM 0 HG22 THR A 45 -3.127 10.571 -6.192 1.00 1.10 H new ATOM 0 HG23 THR A 45 -2.160 9.183 -5.639 1.00 1.10 H new ATOM 714 N PRO A 46 -7.253 8.765 -4.966 1.00 0.31 N ATOM 715 CA PRO A 46 -8.637 8.321 -5.098 1.00 0.35 C ATOM 716 C PRO A 46 -9.141 8.433 -6.533 1.00 0.38 C ATOM 717 O PRO A 46 -8.972 9.468 -7.181 1.00 0.38 O ATOM 718 CB PRO A 46 -9.420 9.274 -4.180 1.00 0.40 C ATOM 719 CG PRO A 46 -8.387 10.011 -3.394 1.00 0.47 C ATOM 720 CD PRO A 46 -7.164 10.042 -4.255 1.00 0.37 C ATOM 0 HA PRO A 46 -8.751 7.270 -4.831 1.00 0.35 H new ATOM 0 HB2 PRO A 46 -10.035 9.961 -4.761 1.00 0.40 H new ATOM 0 HB3 PRO A 46 -10.092 8.722 -3.523 1.00 0.40 H new ATOM 0 HG2 PRO A 46 -8.723 11.020 -3.156 1.00 0.47 H new ATOM 0 HG3 PRO A 46 -8.186 9.510 -2.447 1.00 0.47 H new ATOM 0 HD2 PRO A 46 -7.170 10.890 -4.940 1.00 0.37 H new ATOM 0 HD3 PRO A 46 -6.251 10.116 -3.663 1.00 0.37 H new ATOM 728 N PRO A 47 -9.748 7.348 -7.044 1.00 0.45 N ATOM 729 CA PRO A 47 -10.363 7.327 -8.373 1.00 0.56 C ATOM 730 C PRO A 47 -11.409 8.427 -8.529 1.00 0.59 C ATOM 731 O PRO A 47 -11.926 8.960 -7.544 1.00 0.56 O ATOM 732 CB PRO A 47 -11.016 5.940 -8.463 1.00 0.62 C ATOM 733 CG PRO A 47 -11.026 5.407 -7.072 1.00 0.55 C ATOM 734 CD PRO A 47 -9.868 6.051 -6.370 1.00 0.49 C ATOM 0 HA PRO A 47 -9.633 7.505 -9.162 1.00 0.56 H new ATOM 0 HB2 PRO A 47 -12.028 6.009 -8.863 1.00 0.62 H new ATOM 0 HB3 PRO A 47 -10.454 5.285 -9.129 1.00 0.62 H new ATOM 0 HG2 PRO A 47 -11.965 5.643 -6.571 1.00 0.55 H new ATOM 0 HG3 PRO A 47 -10.928 4.321 -7.070 1.00 0.55 H new ATOM 0 HD2 PRO A 47 -10.058 6.168 -5.303 1.00 0.49 H new ATOM 0 HD3 PRO A 47 -8.958 5.460 -6.469 1.00 0.49 H new ATOM 742 N GLN A 48 -11.718 8.746 -9.782 1.00 0.70 N ATOM 743 CA GLN A 48 -12.554 9.896 -10.124 1.00 0.79 C ATOM 744 C GLN A 48 -13.959 9.765 -9.547 1.00 0.77 C ATOM 745 O GLN A 48 -14.693 10.748 -9.452 1.00 0.83 O ATOM 746 CB GLN A 48 -12.640 10.047 -11.644 1.00 0.96 C ATOM 747 CG GLN A 48 -11.285 10.070 -12.338 1.00 1.50 C ATOM 748 CD GLN A 48 -10.409 11.236 -11.915 1.00 1.79 C ATOM 749 OE1 GLN A 48 -9.183 11.126 -11.899 1.00 2.22 O ATOM 750 NE2 GLN A 48 -11.020 12.367 -11.601 1.00 2.18 N ATOM 0 H GLN A 48 -11.396 8.215 -10.591 1.00 0.70 H new ATOM 0 HA GLN A 48 -12.090 10.781 -9.688 1.00 0.79 H new ATOM 0 HB2 GLN A 48 -13.231 9.225 -12.048 1.00 0.96 H new ATOM 0 HB3 GLN A 48 -13.173 10.968 -11.878 1.00 0.96 H new ATOM 0 HG2 GLN A 48 -10.762 9.137 -12.128 1.00 1.50 H new ATOM 0 HG3 GLN A 48 -11.438 10.113 -13.416 1.00 1.50 H new ATOM 0 HE21 GLN A 48 -12.038 12.420 -11.626 1.00 2.18 H new ATOM 0 HE22 GLN A 48 -10.473 13.185 -11.334 1.00 2.18 H new ATOM 759 N SER A 49 -14.324 8.550 -9.169 1.00 0.72 N ATOM 760 CA SER A 49 -15.620 8.283 -8.575 1.00 0.74 C ATOM 761 C SER A 49 -15.648 8.700 -7.104 1.00 0.71 C ATOM 762 O SER A 49 -16.696 9.062 -6.568 1.00 0.78 O ATOM 763 CB SER A 49 -15.936 6.799 -8.712 1.00 0.77 C ATOM 764 OG SER A 49 -14.831 6.010 -8.299 1.00 1.75 O ATOM 0 H SER A 49 -13.731 7.726 -9.266 1.00 0.72 H new ATOM 0 HA SER A 49 -16.376 8.869 -9.098 1.00 0.74 H new ATOM 0 HB2 SER A 49 -16.811 6.551 -8.111 1.00 0.77 H new ATOM 0 HB3 SER A 49 -16.186 6.570 -9.748 1.00 0.77 H new ATOM 0 HG SER A 49 -15.156 5.182 -7.887 1.00 1.75 H new ATOM 770 N PHE A 50 -14.488 8.663 -6.464 1.00 0.65 N ATOM 771 CA PHE A 50 -14.380 9.031 -5.059 1.00 0.64 C ATOM 772 C PHE A 50 -14.209 10.531 -4.898 1.00 0.71 C ATOM 773 O PHE A 50 -14.664 11.087 -3.899 1.00 0.77 O ATOM 774 CB PHE A 50 -13.206 8.309 -4.394 1.00 0.57 C ATOM 775 CG PHE A 50 -13.528 6.914 -3.950 1.00 0.53 C ATOM 776 CD1 PHE A 50 -13.538 5.865 -4.853 1.00 0.60 C ATOM 777 CD2 PHE A 50 -13.826 6.655 -2.623 1.00 0.59 C ATOM 778 CE1 PHE A 50 -13.837 4.582 -4.440 1.00 0.68 C ATOM 779 CE2 PHE A 50 -14.126 5.376 -2.203 1.00 0.66 C ATOM 780 CZ PHE A 50 -14.132 4.337 -3.112 1.00 0.68 C ATOM 0 H PHE A 50 -13.608 8.382 -6.895 1.00 0.65 H new ATOM 0 HA PHE A 50 -15.307 8.728 -4.571 1.00 0.64 H new ATOM 0 HB2 PHE A 50 -12.370 8.274 -5.093 1.00 0.57 H new ATOM 0 HB3 PHE A 50 -12.877 8.888 -3.531 1.00 0.57 H new ATOM 0 HD1 PHE A 50 -13.309 6.052 -5.892 1.00 0.60 H new ATOM 0 HD2 PHE A 50 -13.824 7.464 -1.908 1.00 0.59 H new ATOM 0 HE1 PHE A 50 -13.840 3.771 -5.153 1.00 0.68 H new ATOM 0 HE2 PHE A 50 -14.356 5.188 -1.165 1.00 0.66 H new ATOM 0 HZ PHE A 50 -14.367 3.334 -2.786 1.00 0.68 H new ATOM 790 N GLN A 51 -13.543 11.175 -5.870 1.00 0.72 N ATOM 791 CA GLN A 51 -13.375 12.638 -5.905 1.00 0.79 C ATOM 792 C GLN A 51 -13.014 13.215 -4.540 1.00 0.66 C ATOM 793 O GLN A 51 -13.652 14.147 -4.043 1.00 0.83 O ATOM 794 CB GLN A 51 -14.595 13.349 -6.509 1.00 1.07 C ATOM 795 CG GLN A 51 -15.924 12.981 -5.883 1.00 1.23 C ATOM 796 CD GLN A 51 -17.097 13.613 -6.603 1.00 1.98 C ATOM 797 OE1 GLN A 51 -17.043 13.851 -7.809 1.00 2.73 O ATOM 798 NE2 GLN A 51 -18.166 13.885 -5.877 1.00 2.45 N ATOM 0 H GLN A 51 -13.105 10.695 -6.656 1.00 0.72 H new ATOM 0 HA GLN A 51 -12.530 12.829 -6.566 1.00 0.79 H new ATOM 0 HB2 GLN A 51 -14.452 14.426 -6.416 1.00 1.07 H new ATOM 0 HB3 GLN A 51 -14.637 13.124 -7.575 1.00 1.07 H new ATOM 0 HG2 GLN A 51 -16.038 11.897 -5.890 1.00 1.23 H new ATOM 0 HG3 GLN A 51 -15.930 13.295 -4.839 1.00 1.23 H new ATOM 0 HE21 GLN A 51 -18.172 13.673 -4.879 1.00 2.45 H new ATOM 0 HE22 GLN A 51 -18.985 14.307 -6.314 1.00 2.45 H new ATOM 807 N SER A 52 -11.986 12.634 -3.946 1.00 0.53 N ATOM 808 CA SER A 52 -11.448 13.111 -2.690 1.00 0.50 C ATOM 809 C SER A 52 -9.977 13.458 -2.886 1.00 0.42 C ATOM 810 O SER A 52 -9.348 12.994 -3.842 1.00 0.44 O ATOM 811 CB SER A 52 -11.615 12.033 -1.611 1.00 0.55 C ATOM 812 OG SER A 52 -11.288 12.529 -0.320 1.00 1.21 O ATOM 0 H SER A 52 -11.503 11.819 -4.323 1.00 0.53 H new ATOM 0 HA SER A 52 -11.985 14.002 -2.365 1.00 0.50 H new ATOM 0 HB2 SER A 52 -12.644 11.672 -1.613 1.00 0.55 H new ATOM 0 HB3 SER A 52 -10.978 11.181 -1.846 1.00 0.55 H new ATOM 0 HG SER A 52 -11.407 11.818 0.344 1.00 1.21 H new ATOM 818 N ALA A 53 -9.439 14.280 -1.996 1.00 0.48 N ATOM 819 CA ALA A 53 -8.053 14.713 -2.088 1.00 0.52 C ATOM 820 C ALA A 53 -7.100 13.547 -1.855 1.00 0.41 C ATOM 821 O ALA A 53 -7.326 12.722 -0.969 1.00 0.44 O ATOM 822 CB ALA A 53 -7.782 15.816 -1.078 1.00 0.73 C ATOM 0 H ALA A 53 -9.946 14.662 -1.197 1.00 0.48 H new ATOM 0 HA ALA A 53 -7.883 15.098 -3.094 1.00 0.52 H new ATOM 0 HB1 ALA A 53 -6.742 16.133 -1.155 1.00 0.73 H new ATOM 0 HB2 ALA A 53 -8.436 16.664 -1.281 1.00 0.73 H new ATOM 0 HB3 ALA A 53 -7.974 15.443 -0.072 1.00 0.73 H new ATOM 828 N PRO A 54 -6.031 13.459 -2.664 1.00 0.39 N ATOM 829 CA PRO A 54 -5.002 12.428 -2.506 1.00 0.32 C ATOM 830 C PRO A 54 -4.342 12.517 -1.136 1.00 0.29 C ATOM 831 O PRO A 54 -3.699 13.518 -0.809 1.00 0.36 O ATOM 832 CB PRO A 54 -3.988 12.742 -3.614 1.00 0.39 C ATOM 833 CG PRO A 54 -4.734 13.576 -4.596 1.00 0.52 C ATOM 834 CD PRO A 54 -5.742 14.352 -3.796 1.00 0.52 C ATOM 0 HA PRO A 54 -5.411 11.420 -2.578 1.00 0.32 H new ATOM 0 HB2 PRO A 54 -3.124 13.276 -3.218 1.00 0.39 H new ATOM 0 HB3 PRO A 54 -3.613 11.829 -4.076 1.00 0.39 H new ATOM 0 HG2 PRO A 54 -4.061 14.246 -5.131 1.00 0.52 H new ATOM 0 HG3 PRO A 54 -5.225 12.953 -5.344 1.00 0.52 H new ATOM 0 HD2 PRO A 54 -5.341 15.309 -3.462 1.00 0.52 H new ATOM 0 HD3 PRO A 54 -6.638 14.568 -4.378 1.00 0.52 H new ATOM 842 N ARG A 55 -4.497 11.474 -0.342 1.00 0.26 N ATOM 843 CA ARG A 55 -4.028 11.497 1.035 1.00 0.31 C ATOM 844 C ARG A 55 -2.780 10.654 1.186 1.00 0.24 C ATOM 845 O ARG A 55 -2.724 9.531 0.696 1.00 0.20 O ATOM 846 CB ARG A 55 -5.109 10.958 1.975 1.00 0.42 C ATOM 847 CG ARG A 55 -6.435 11.689 1.870 1.00 1.13 C ATOM 848 CD ARG A 55 -6.307 13.142 2.281 1.00 1.35 C ATOM 849 NE ARG A 55 -7.530 13.892 2.002 1.00 2.05 N ATOM 850 CZ ARG A 55 -7.867 15.023 2.617 1.00 2.41 C ATOM 851 NH1 ARG A 55 -7.095 15.519 3.576 1.00 2.30 N ATOM 852 NH2 ARG A 55 -8.985 15.654 2.280 1.00 3.34 N ATOM 0 H ARG A 55 -4.943 10.601 -0.624 1.00 0.26 H new ATOM 0 HA ARG A 55 -3.800 12.531 1.295 1.00 0.31 H new ATOM 0 HB2 ARG A 55 -5.270 9.902 1.760 1.00 0.42 H new ATOM 0 HB3 ARG A 55 -4.749 11.023 3.002 1.00 0.42 H new ATOM 0 HG2 ARG A 55 -6.802 11.631 0.845 1.00 1.13 H new ATOM 0 HG3 ARG A 55 -7.174 11.196 2.502 1.00 1.13 H new ATOM 0 HD2 ARG A 55 -6.079 13.200 3.345 1.00 1.35 H new ATOM 0 HD3 ARG A 55 -5.471 13.598 1.750 1.00 1.35 H new ATOM 0 HE ARG A 55 -8.164 13.526 1.292 1.00 2.05 H new ATOM 0 HH11 ARG A 55 -6.239 15.033 3.844 1.00 2.30 H new ATOM 0 HH12 ARG A 55 -7.357 16.386 4.045 1.00 2.30 H new ATOM 0 HH21 ARG A 55 -9.586 15.272 1.550 1.00 3.34 H new ATOM 0 HH22 ARG A 55 -9.243 16.521 2.751 1.00 3.34 H new ATOM 866 N VAL A 56 -1.785 11.188 1.868 1.00 0.26 N ATOM 867 CA VAL A 56 -0.598 10.418 2.170 1.00 0.24 C ATOM 868 C VAL A 56 -0.814 9.672 3.481 1.00 0.22 C ATOM 869 O VAL A 56 -0.952 10.272 4.549 1.00 0.25 O ATOM 870 CB VAL A 56 0.684 11.295 2.221 1.00 0.29 C ATOM 871 CG1 VAL A 56 0.568 12.414 3.243 1.00 1.48 C ATOM 872 CG2 VAL A 56 1.907 10.436 2.507 1.00 1.32 C ATOM 0 H VAL A 56 -1.776 12.145 2.220 1.00 0.26 H new ATOM 0 HA VAL A 56 -0.436 9.703 1.364 1.00 0.24 H new ATOM 0 HB VAL A 56 0.799 11.760 1.242 1.00 0.29 H new ATOM 0 HG11 VAL A 56 1.486 13.002 3.245 1.00 1.48 H new ATOM 0 HG12 VAL A 56 -0.274 13.057 2.985 1.00 1.48 H new ATOM 0 HG13 VAL A 56 0.408 11.987 4.233 1.00 1.48 H new ATOM 0 HG21 VAL A 56 2.795 11.067 2.539 1.00 1.32 H new ATOM 0 HG22 VAL A 56 1.783 9.935 3.467 1.00 1.32 H new ATOM 0 HG23 VAL A 56 2.020 9.690 1.720 1.00 1.32 H new ATOM 882 N TYR A 57 -0.881 8.358 3.387 1.00 0.22 N ATOM 883 CA TYR A 57 -1.190 7.535 4.532 1.00 0.25 C ATOM 884 C TYR A 57 0.054 6.828 5.030 1.00 0.25 C ATOM 885 O TYR A 57 0.866 6.335 4.243 1.00 0.27 O ATOM 886 CB TYR A 57 -2.247 6.495 4.171 1.00 0.27 C ATOM 887 CG TYR A 57 -3.621 7.061 3.882 1.00 0.31 C ATOM 888 CD1 TYR A 57 -4.274 7.868 4.807 1.00 0.44 C ATOM 889 CD2 TYR A 57 -4.278 6.761 2.696 1.00 0.40 C ATOM 890 CE1 TYR A 57 -5.541 8.360 4.555 1.00 0.49 C ATOM 891 CE2 TYR A 57 -5.542 7.254 2.436 1.00 0.47 C ATOM 892 CZ TYR A 57 -6.169 8.051 3.369 1.00 0.46 C ATOM 893 OH TYR A 57 -7.432 8.534 3.113 1.00 0.54 O ATOM 0 H TYR A 57 -0.724 7.839 2.523 1.00 0.22 H new ATOM 0 HA TYR A 57 -1.575 8.184 5.319 1.00 0.25 H new ATOM 0 HB2 TYR A 57 -1.907 5.940 3.297 1.00 0.27 H new ATOM 0 HB3 TYR A 57 -2.329 5.781 4.990 1.00 0.27 H new ATOM 0 HD1 TYR A 57 -3.784 8.114 5.737 1.00 0.44 H new ATOM 0 HD2 TYR A 57 -3.793 6.132 1.965 1.00 0.40 H new ATOM 0 HE1 TYR A 57 -6.036 8.984 5.285 1.00 0.49 H new ATOM 0 HE2 TYR A 57 -6.036 7.016 1.506 1.00 0.47 H new ATOM 0 HH TYR A 57 -7.729 8.223 2.232 1.00 0.54 H new ATOM 903 N ARG A 58 0.199 6.791 6.340 1.00 0.27 N ATOM 904 CA ARG A 58 1.316 6.114 6.966 1.00 0.31 C ATOM 905 C ARG A 58 0.971 4.639 7.127 1.00 0.27 C ATOM 906 O ARG A 58 0.096 4.278 7.913 1.00 0.31 O ATOM 907 CB ARG A 58 1.624 6.772 8.318 1.00 0.42 C ATOM 908 CG ARG A 58 2.893 6.274 8.998 1.00 0.55 C ATOM 909 CD ARG A 58 2.656 4.991 9.777 1.00 1.11 C ATOM 910 NE ARG A 58 3.857 4.549 10.480 1.00 1.70 N ATOM 911 CZ ARG A 58 3.872 3.561 11.374 1.00 2.56 C ATOM 912 NH1 ARG A 58 2.752 2.903 11.658 1.00 3.09 N ATOM 913 NH2 ARG A 58 5.006 3.235 11.984 1.00 3.26 N ATOM 0 H ARG A 58 -0.450 7.226 6.996 1.00 0.27 H new ATOM 0 HA ARG A 58 2.208 6.195 6.345 1.00 0.31 H new ATOM 0 HB2 ARG A 58 1.706 7.849 8.171 1.00 0.42 H new ATOM 0 HB3 ARG A 58 0.780 6.605 8.988 1.00 0.42 H new ATOM 0 HG2 ARG A 58 3.664 6.105 8.247 1.00 0.55 H new ATOM 0 HG3 ARG A 58 3.269 7.043 9.672 1.00 0.55 H new ATOM 0 HD2 ARG A 58 1.852 5.147 10.496 1.00 1.11 H new ATOM 0 HD3 ARG A 58 2.326 4.208 9.094 1.00 1.11 H new ATOM 0 HE ARG A 58 4.736 5.024 10.275 1.00 1.70 H new ATOM 0 HH11 ARG A 58 1.881 3.154 11.191 1.00 3.09 H new ATOM 0 HH12 ARG A 58 2.764 2.147 12.342 1.00 3.09 H new ATOM 0 HH21 ARG A 58 5.865 3.741 11.768 1.00 3.26 H new ATOM 0 HH22 ARG A 58 5.018 2.479 12.668 1.00 3.26 H new ATOM 927 N VAL A 59 1.645 3.803 6.363 1.00 0.25 N ATOM 928 CA VAL A 59 1.403 2.374 6.379 1.00 0.25 C ATOM 929 C VAL A 59 1.912 1.754 7.671 1.00 0.25 C ATOM 930 O VAL A 59 3.120 1.749 7.942 1.00 0.26 O ATOM 931 CB VAL A 59 2.076 1.679 5.182 1.00 0.31 C ATOM 932 CG1 VAL A 59 1.871 0.173 5.244 1.00 0.45 C ATOM 933 CG2 VAL A 59 1.552 2.247 3.869 1.00 0.36 C ATOM 0 H VAL A 59 2.376 4.095 5.714 1.00 0.25 H new ATOM 0 HA VAL A 59 0.325 2.229 6.309 1.00 0.25 H new ATOM 0 HB VAL A 59 3.147 1.873 5.233 1.00 0.31 H new ATOM 0 HG11 VAL A 59 2.356 -0.296 4.388 1.00 0.45 H new ATOM 0 HG12 VAL A 59 2.306 -0.216 6.165 1.00 0.45 H new ATOM 0 HG13 VAL A 59 0.804 -0.050 5.224 1.00 0.45 H new ATOM 0 HG21 VAL A 59 2.039 1.743 3.034 1.00 0.36 H new ATOM 0 HG22 VAL A 59 0.475 2.090 3.809 1.00 0.36 H new ATOM 0 HG23 VAL A 59 1.766 3.315 3.823 1.00 0.36 H new ATOM 943 N ASN A 60 0.974 1.239 8.454 1.00 0.28 N ATOM 944 CA ASN A 60 1.277 0.585 9.715 1.00 0.32 C ATOM 945 C ASN A 60 1.524 -0.899 9.472 1.00 0.32 C ATOM 946 O ASN A 60 2.162 -1.578 10.272 1.00 0.37 O ATOM 947 CB ASN A 60 0.107 0.778 10.685 1.00 0.41 C ATOM 948 CG ASN A 60 0.403 0.280 12.088 1.00 1.12 C ATOM 949 OD1 ASN A 60 1.537 0.356 12.566 1.00 1.92 O ATOM 950 ND2 ASN A 60 -0.616 -0.239 12.754 1.00 1.68 N ATOM 0 H ASN A 60 -0.021 1.264 8.230 1.00 0.28 H new ATOM 0 HA ASN A 60 2.174 1.025 10.152 1.00 0.32 H new ATOM 0 HB2 ASN A 60 -0.149 1.837 10.729 1.00 0.41 H new ATOM 0 HB3 ASN A 60 -0.767 0.255 10.298 1.00 0.41 H new ATOM 0 HD21 ASN A 60 -0.479 -0.595 13.700 1.00 1.68 H new ATOM 0 HD22 ASN A 60 -1.539 -0.283 12.321 1.00 1.68 H new ATOM 957 N GLY A 61 1.006 -1.391 8.354 1.00 0.40 N ATOM 958 CA GLY A 61 1.202 -2.775 7.977 1.00 0.47 C ATOM 959 C GLY A 61 0.139 -3.238 7.006 1.00 0.43 C ATOM 960 O GLY A 61 -0.385 -2.438 6.228 1.00 0.43 O ATOM 0 H GLY A 61 0.447 -0.848 7.696 1.00 0.40 H new ATOM 0 HA2 GLY A 61 2.187 -2.895 7.525 1.00 0.47 H new ATOM 0 HA3 GLY A 61 1.182 -3.403 8.868 1.00 0.47 H new ATOM 964 N LEU A 62 -0.193 -4.519 7.051 1.00 0.41 N ATOM 965 CA LEU A 62 -1.213 -5.080 6.181 1.00 0.38 C ATOM 966 C LEU A 62 -2.213 -5.880 6.999 1.00 0.38 C ATOM 967 O LEU A 62 -1.894 -6.357 8.089 1.00 0.42 O ATOM 968 CB LEU A 62 -0.572 -5.982 5.124 1.00 0.39 C ATOM 969 CG LEU A 62 0.287 -5.260 4.087 1.00 0.45 C ATOM 970 CD1 LEU A 62 0.998 -6.259 3.200 1.00 0.43 C ATOM 971 CD2 LEU A 62 -0.566 -4.331 3.246 1.00 0.55 C ATOM 0 H LEU A 62 0.233 -5.194 7.686 1.00 0.41 H new ATOM 0 HA LEU A 62 -1.732 -4.262 5.681 1.00 0.38 H new ATOM 0 HB2 LEU A 62 0.045 -6.725 5.629 1.00 0.39 H new ATOM 0 HB3 LEU A 62 -1.362 -6.524 4.604 1.00 0.39 H new ATOM 0 HG LEU A 62 1.034 -4.667 4.614 1.00 0.45 H new ATOM 0 HD11 LEU A 62 1.605 -5.727 2.467 1.00 0.43 H new ATOM 0 HD12 LEU A 62 1.639 -6.895 3.810 1.00 0.43 H new ATOM 0 HD13 LEU A 62 0.262 -6.875 2.683 1.00 0.43 H new ATOM 0 HD21 LEU A 62 0.062 -3.825 2.513 1.00 0.55 H new ATOM 0 HD22 LEU A 62 -1.333 -4.909 2.730 1.00 0.55 H new ATOM 0 HD23 LEU A 62 -1.041 -3.591 3.890 1.00 0.55 H new ATOM 983 N SER A 63 -3.425 -6.013 6.485 1.00 0.36 N ATOM 984 CA SER A 63 -4.444 -6.780 7.168 1.00 0.40 C ATOM 985 C SER A 63 -4.403 -8.229 6.699 1.00 0.46 C ATOM 986 O SER A 63 -4.363 -8.504 5.499 1.00 0.62 O ATOM 987 CB SER A 63 -5.831 -6.180 6.931 1.00 0.44 C ATOM 988 OG SER A 63 -6.737 -6.588 7.946 1.00 1.45 O ATOM 0 H SER A 63 -3.723 -5.600 5.601 1.00 0.36 H new ATOM 0 HA SER A 63 -4.243 -6.747 8.239 1.00 0.40 H new ATOM 0 HB2 SER A 63 -5.763 -5.092 6.913 1.00 0.44 H new ATOM 0 HB3 SER A 63 -6.205 -6.492 5.956 1.00 0.44 H new ATOM 0 HG SER A 63 -7.569 -6.903 7.535 1.00 1.45 H new ATOM 994 N ARG A 64 -4.375 -9.133 7.671 1.00 0.73 N ATOM 995 CA ARG A 64 -4.311 -10.581 7.438 1.00 0.94 C ATOM 996 C ARG A 64 -5.397 -11.105 6.491 1.00 0.65 C ATOM 997 O ARG A 64 -5.306 -12.240 6.017 1.00 0.72 O ATOM 998 CB ARG A 64 -4.424 -11.309 8.775 1.00 1.40 C ATOM 999 CG ARG A 64 -3.380 -10.884 9.789 1.00 2.25 C ATOM 1000 CD ARG A 64 -3.651 -11.495 11.153 1.00 2.62 C ATOM 1001 NE ARG A 64 -2.771 -10.940 12.178 1.00 3.28 N ATOM 1002 CZ ARG A 64 -3.146 -9.999 13.043 1.00 3.81 C ATOM 1003 NH1 ARG A 64 -4.399 -9.557 13.045 1.00 3.76 N ATOM 1004 NH2 ARG A 64 -2.274 -9.514 13.914 1.00 4.70 N ATOM 0 H ARG A 64 -4.396 -8.883 8.660 1.00 0.73 H new ATOM 0 HA ARG A 64 -3.354 -10.775 6.955 1.00 0.94 H new ATOM 0 HB2 ARG A 64 -5.416 -11.133 9.192 1.00 1.40 H new ATOM 0 HB3 ARG A 64 -4.336 -12.382 8.603 1.00 1.40 H new ATOM 0 HG2 ARG A 64 -2.391 -11.186 9.444 1.00 2.25 H new ATOM 0 HG3 ARG A 64 -3.371 -9.797 9.871 1.00 2.25 H new ATOM 0 HD2 ARG A 64 -4.690 -11.318 11.431 1.00 2.62 H new ATOM 0 HD3 ARG A 64 -3.514 -12.575 11.102 1.00 2.62 H new ATOM 0 HE ARG A 64 -1.816 -11.293 12.235 1.00 3.28 H new ATOM 0 HH11 ARG A 64 -5.075 -9.938 12.384 1.00 3.76 H new ATOM 0 HH12 ARG A 64 -4.685 -8.836 13.708 1.00 3.76 H new ATOM 0 HH21 ARG A 64 -1.315 -9.861 13.923 1.00 4.70 H new ATOM 0 HH22 ARG A 64 -2.562 -8.793 14.576 1.00 4.70 H new ATOM 1018 N ALA A 65 -6.422 -10.307 6.230 1.00 0.45 N ATOM 1019 CA ALA A 65 -7.509 -10.729 5.359 1.00 0.32 C ATOM 1020 C ALA A 65 -7.550 -9.903 4.075 1.00 0.30 C ATOM 1021 O ALA A 65 -7.430 -8.675 4.104 1.00 0.33 O ATOM 1022 CB ALA A 65 -8.834 -10.631 6.091 1.00 0.47 C ATOM 0 H ALA A 65 -6.524 -9.365 6.608 1.00 0.45 H new ATOM 0 HA ALA A 65 -7.331 -11.768 5.080 1.00 0.32 H new ATOM 0 HB1 ALA A 65 -9.640 -10.949 5.429 1.00 0.47 H new ATOM 0 HB2 ALA A 65 -8.812 -11.274 6.971 1.00 0.47 H new ATOM 0 HB3 ALA A 65 -9.004 -9.599 6.399 1.00 0.47 H new ATOM 1028 N PRO A 66 -7.701 -10.584 2.926 1.00 0.27 N ATOM 1029 CA PRO A 66 -7.854 -9.935 1.618 1.00 0.29 C ATOM 1030 C PRO A 66 -9.133 -9.110 1.539 1.00 0.27 C ATOM 1031 O PRO A 66 -10.140 -9.439 2.164 1.00 0.26 O ATOM 1032 CB PRO A 66 -7.929 -11.110 0.634 1.00 0.32 C ATOM 1033 CG PRO A 66 -7.355 -12.271 1.369 1.00 0.30 C ATOM 1034 CD PRO A 66 -7.714 -12.051 2.807 1.00 0.27 C ATOM 0 HA PRO A 66 -7.039 -9.242 1.412 1.00 0.29 H new ATOM 0 HB2 PRO A 66 -8.958 -11.305 0.331 1.00 0.32 H new ATOM 0 HB3 PRO A 66 -7.364 -10.900 -0.274 1.00 0.32 H new ATOM 0 HG2 PRO A 66 -7.767 -13.211 1.001 1.00 0.30 H new ATOM 0 HG3 PRO A 66 -6.274 -12.323 1.238 1.00 0.30 H new ATOM 0 HD2 PRO A 66 -8.692 -12.468 3.048 1.00 0.27 H new ATOM 0 HD3 PRO A 66 -6.994 -12.518 3.479 1.00 0.27 H new ATOM 1042 N ALA A 67 -9.080 -8.047 0.740 1.00 0.29 N ATOM 1043 CA ALA A 67 -10.167 -7.075 0.627 1.00 0.28 C ATOM 1044 C ALA A 67 -11.483 -7.707 0.178 1.00 0.26 C ATOM 1045 O ALA A 67 -12.550 -7.110 0.335 1.00 0.27 O ATOM 1046 CB ALA A 67 -9.765 -5.969 -0.336 1.00 0.35 C ATOM 0 H ALA A 67 -8.277 -7.834 0.149 1.00 0.29 H new ATOM 0 HA ALA A 67 -10.338 -6.664 1.622 1.00 0.28 H new ATOM 0 HB1 ALA A 67 -10.576 -5.246 -0.419 1.00 0.35 H new ATOM 0 HB2 ALA A 67 -8.870 -5.470 0.036 1.00 0.35 H new ATOM 0 HB3 ALA A 67 -9.560 -6.398 -1.317 1.00 0.35 H new ATOM 1052 N SER A 68 -11.405 -8.906 -0.382 1.00 0.30 N ATOM 1053 CA SER A 68 -12.592 -9.607 -0.845 1.00 0.35 C ATOM 1054 C SER A 68 -13.400 -10.163 0.332 1.00 0.31 C ATOM 1055 O SER A 68 -14.621 -10.293 0.249 1.00 0.40 O ATOM 1056 CB SER A 68 -12.198 -10.733 -1.807 1.00 0.48 C ATOM 1057 OG SER A 68 -13.336 -11.317 -2.423 1.00 1.42 O ATOM 0 H SER A 68 -10.532 -9.413 -0.526 1.00 0.30 H new ATOM 0 HA SER A 68 -13.224 -8.895 -1.376 1.00 0.35 H new ATOM 0 HB2 SER A 68 -11.530 -10.340 -2.574 1.00 0.48 H new ATOM 0 HB3 SER A 68 -11.644 -11.499 -1.264 1.00 0.48 H new ATOM 0 HG SER A 68 -13.049 -12.030 -3.031 1.00 1.42 H new ATOM 1063 N SER A 69 -12.729 -10.477 1.436 1.00 0.28 N ATOM 1064 CA SER A 69 -13.407 -11.059 2.586 1.00 0.37 C ATOM 1065 C SER A 69 -13.224 -10.212 3.847 1.00 0.33 C ATOM 1066 O SER A 69 -13.862 -10.461 4.870 1.00 0.42 O ATOM 1067 CB SER A 69 -12.908 -12.489 2.819 1.00 0.50 C ATOM 1068 OG SER A 69 -11.490 -12.548 2.795 1.00 1.46 O ATOM 0 H SER A 69 -11.726 -10.339 1.557 1.00 0.28 H new ATOM 0 HA SER A 69 -14.475 -11.082 2.367 1.00 0.37 H new ATOM 0 HB2 SER A 69 -13.274 -12.853 3.779 1.00 0.50 H new ATOM 0 HB3 SER A 69 -13.315 -13.148 2.053 1.00 0.50 H new ATOM 0 HG SER A 69 -11.198 -13.471 2.948 1.00 1.46 H new ATOM 1074 N GLU A 70 -12.362 -9.206 3.770 1.00 0.28 N ATOM 1075 CA GLU A 70 -12.095 -8.346 4.914 1.00 0.35 C ATOM 1076 C GLU A 70 -13.180 -7.288 5.056 1.00 0.37 C ATOM 1077 O GLU A 70 -13.535 -6.614 4.086 1.00 0.37 O ATOM 1078 CB GLU A 70 -10.728 -7.677 4.779 1.00 0.42 C ATOM 1079 CG GLU A 70 -10.329 -6.856 5.996 1.00 0.78 C ATOM 1080 CD GLU A 70 -10.193 -7.698 7.248 1.00 0.58 C ATOM 1081 OE1 GLU A 70 -11.225 -8.201 7.743 1.00 1.03 O ATOM 1082 OE2 GLU A 70 -9.060 -7.856 7.747 1.00 1.26 O ATOM 0 H GLU A 70 -11.837 -8.966 2.929 1.00 0.28 H new ATOM 0 HA GLU A 70 -12.093 -8.968 5.809 1.00 0.35 H new ATOM 0 HB2 GLU A 70 -9.973 -8.444 4.605 1.00 0.42 H new ATOM 0 HB3 GLU A 70 -10.734 -7.031 3.901 1.00 0.42 H new ATOM 0 HG2 GLU A 70 -9.383 -6.353 5.796 1.00 0.78 H new ATOM 0 HG3 GLU A 70 -11.074 -6.078 6.165 1.00 0.78 H new ATOM 1089 N THR A 71 -13.707 -7.154 6.262 1.00 0.44 N ATOM 1090 CA THR A 71 -14.774 -6.205 6.522 1.00 0.48 C ATOM 1091 C THR A 71 -14.260 -4.960 7.234 1.00 0.58 C ATOM 1092 O THR A 71 -13.311 -5.020 8.017 1.00 0.85 O ATOM 1093 CB THR A 71 -15.906 -6.833 7.360 1.00 0.61 C ATOM 1094 OG1 THR A 71 -15.406 -7.305 8.621 1.00 0.76 O ATOM 1095 CG2 THR A 71 -16.561 -7.980 6.609 1.00 0.62 C ATOM 0 H THR A 71 -13.412 -7.692 7.077 1.00 0.44 H new ATOM 0 HA THR A 71 -15.170 -5.919 5.548 1.00 0.48 H new ATOM 0 HB THR A 71 -16.651 -6.059 7.543 1.00 0.61 H new ATOM 0 HG1 THR A 71 -15.939 -8.072 8.918 1.00 0.76 H new ATOM 0 HG21 THR A 71 -17.356 -8.408 7.220 1.00 0.62 H new ATOM 0 HG22 THR A 71 -16.981 -7.610 5.674 1.00 0.62 H new ATOM 0 HG23 THR A 71 -15.816 -8.747 6.394 1.00 0.62 H new ATOM 1103 N PHE A 72 -14.905 -3.840 6.960 1.00 0.51 N ATOM 1104 CA PHE A 72 -14.589 -2.581 7.610 1.00 0.59 C ATOM 1105 C PHE A 72 -15.866 -1.758 7.693 1.00 0.68 C ATOM 1106 O PHE A 72 -16.780 -1.948 6.885 1.00 0.64 O ATOM 1107 CB PHE A 72 -13.499 -1.820 6.843 1.00 0.58 C ATOM 1108 CG PHE A 72 -13.980 -1.154 5.586 1.00 0.54 C ATOM 1109 CD1 PHE A 72 -14.339 -1.916 4.487 1.00 0.43 C ATOM 1110 CD2 PHE A 72 -14.062 0.225 5.497 1.00 0.68 C ATOM 1111 CE1 PHE A 72 -14.773 -1.316 3.323 1.00 0.43 C ATOM 1112 CE2 PHE A 72 -14.495 0.831 4.334 1.00 0.67 C ATOM 1113 CZ PHE A 72 -14.886 0.091 3.278 1.00 0.52 C ATOM 0 H PHE A 72 -15.663 -3.778 6.280 1.00 0.51 H new ATOM 0 HA PHE A 72 -14.200 -2.771 8.611 1.00 0.59 H new ATOM 0 HB2 PHE A 72 -13.069 -1.064 7.500 1.00 0.58 H new ATOM 0 HB3 PHE A 72 -12.698 -2.514 6.589 1.00 0.58 H new ATOM 0 HD1 PHE A 72 -14.279 -2.993 4.542 1.00 0.43 H new ATOM 0 HD2 PHE A 72 -13.785 0.833 6.345 1.00 0.68 H new ATOM 0 HE1 PHE A 72 -15.023 -1.914 2.459 1.00 0.43 H new ATOM 0 HE2 PHE A 72 -14.520 1.909 4.270 1.00 0.67 H new ATOM 0 HZ PHE A 72 -15.285 0.573 2.398 1.00 0.52 H new ATOM 1123 N GLU A 73 -15.947 -0.877 8.673 1.00 0.83 N ATOM 1124 CA GLU A 73 -17.158 -0.107 8.886 1.00 0.94 C ATOM 1125 C GLU A 73 -17.131 1.188 8.084 1.00 0.99 C ATOM 1126 O GLU A 73 -16.273 2.051 8.288 1.00 1.09 O ATOM 1127 CB GLU A 73 -17.352 0.188 10.371 1.00 1.14 C ATOM 1128 CG GLU A 73 -18.740 0.704 10.711 1.00 1.27 C ATOM 1129 CD GLU A 73 -18.958 0.843 12.203 1.00 1.68 C ATOM 1130 OE1 GLU A 73 -18.251 0.162 12.978 1.00 1.96 O ATOM 1131 OE2 GLU A 73 -19.845 1.620 12.607 1.00 2.03 O ATOM 0 H GLU A 73 -15.193 -0.678 9.331 1.00 0.83 H new ATOM 0 HA GLU A 73 -18.001 -0.703 8.538 1.00 0.94 H new ATOM 0 HB2 GLU A 73 -17.161 -0.721 10.942 1.00 1.14 H new ATOM 0 HB3 GLU A 73 -16.612 0.924 10.687 1.00 1.14 H new ATOM 0 HG2 GLU A 73 -18.891 1.672 10.233 1.00 1.27 H new ATOM 0 HG3 GLU A 73 -19.487 0.025 10.300 1.00 1.27 H new ATOM 1138 N HIS A 74 -18.073 1.299 7.165 1.00 0.97 N ATOM 1139 CA HIS A 74 -18.245 2.487 6.354 1.00 1.06 C ATOM 1140 C HIS A 74 -19.732 2.802 6.268 1.00 1.17 C ATOM 1141 O HIS A 74 -20.534 1.922 5.954 1.00 1.05 O ATOM 1142 CB HIS A 74 -17.650 2.279 4.953 1.00 1.04 C ATOM 1143 CG HIS A 74 -17.682 3.505 4.086 1.00 1.19 C ATOM 1144 ND1 HIS A 74 -16.745 4.506 4.218 1.00 1.99 N ATOM 1145 CD2 HIS A 74 -18.551 3.839 3.098 1.00 1.14 C ATOM 1146 CE1 HIS A 74 -17.062 5.417 3.313 1.00 1.92 C ATOM 1147 NE2 HIS A 74 -18.146 5.057 2.614 1.00 1.28 N ATOM 0 H HIS A 74 -18.745 0.560 6.960 1.00 0.97 H new ATOM 0 HA HIS A 74 -17.718 3.325 6.811 1.00 1.06 H new ATOM 0 HB2 HIS A 74 -16.617 1.945 5.054 1.00 1.04 H new ATOM 0 HB3 HIS A 74 -18.196 1.479 4.453 1.00 1.04 H new ATOM 0 HD2 HIS A 74 -19.397 3.259 2.759 1.00 1.14 H new ATOM 0 HE1 HIS A 74 -16.515 6.335 3.157 1.00 1.92 H new ATOM 0 HE2 HIS A 74 -18.587 5.588 1.863 1.00 1.28 H new ATOM 1155 N ASP A 75 -20.093 4.043 6.585 1.00 1.43 N ATOM 1156 CA ASP A 75 -21.494 4.476 6.593 1.00 1.59 C ATOM 1157 C ASP A 75 -22.305 3.637 7.590 1.00 1.49 C ATOM 1158 O ASP A 75 -23.477 3.330 7.377 1.00 1.50 O ATOM 1159 CB ASP A 75 -22.088 4.389 5.176 1.00 1.65 C ATOM 1160 CG ASP A 75 -23.462 5.023 5.056 1.00 2.03 C ATOM 1161 OD1 ASP A 75 -23.592 6.237 5.331 1.00 2.27 O ATOM 1162 OD2 ASP A 75 -24.419 4.314 4.671 1.00 2.67 O ATOM 0 H ASP A 75 -19.430 4.775 6.842 1.00 1.43 H new ATOM 0 HA ASP A 75 -21.542 5.517 6.913 1.00 1.59 H new ATOM 0 HB2 ASP A 75 -21.409 4.876 4.476 1.00 1.65 H new ATOM 0 HB3 ASP A 75 -22.153 3.342 4.881 1.00 1.65 H new ATOM 1167 N GLY A 76 -21.656 3.256 8.686 1.00 1.43 N ATOM 1168 CA GLY A 76 -22.326 2.496 9.724 1.00 1.41 C ATOM 1169 C GLY A 76 -22.512 1.028 9.374 1.00 1.19 C ATOM 1170 O GLY A 76 -23.136 0.279 10.125 1.00 1.18 O ATOM 0 H GLY A 76 -20.675 3.461 8.873 1.00 1.43 H new ATOM 0 HA2 GLY A 76 -21.752 2.572 10.647 1.00 1.41 H new ATOM 0 HA3 GLY A 76 -23.302 2.942 9.918 1.00 1.41 H new ATOM 1174 N LYS A 77 -21.976 0.618 8.235 1.00 1.06 N ATOM 1175 CA LYS A 77 -22.090 -0.763 7.786 1.00 0.89 C ATOM 1176 C LYS A 77 -20.714 -1.391 7.679 1.00 0.77 C ATOM 1177 O LYS A 77 -19.767 -0.740 7.255 1.00 0.74 O ATOM 1178 CB LYS A 77 -22.761 -0.826 6.413 1.00 0.87 C ATOM 1179 CG LYS A 77 -24.192 -0.314 6.387 1.00 1.06 C ATOM 1180 CD LYS A 77 -25.144 -1.267 7.094 1.00 1.13 C ATOM 1181 CE LYS A 77 -26.585 -0.800 6.972 1.00 1.40 C ATOM 1182 NZ LYS A 77 -27.546 -1.779 7.544 1.00 2.19 N ATOM 0 H LYS A 77 -21.455 1.224 7.601 1.00 1.06 H new ATOM 0 HA LYS A 77 -22.693 -1.306 8.514 1.00 0.89 H new ATOM 0 HB2 LYS A 77 -22.168 -0.246 5.706 1.00 0.87 H new ATOM 0 HB3 LYS A 77 -22.752 -1.859 6.065 1.00 0.87 H new ATOM 0 HG2 LYS A 77 -24.237 0.665 6.864 1.00 1.06 H new ATOM 0 HG3 LYS A 77 -24.512 -0.180 5.354 1.00 1.06 H new ATOM 0 HD2 LYS A 77 -25.046 -2.265 6.668 1.00 1.13 H new ATOM 0 HD3 LYS A 77 -24.872 -1.342 8.147 1.00 1.13 H new ATOM 0 HE2 LYS A 77 -26.699 0.157 7.481 1.00 1.40 H new ATOM 0 HE3 LYS A 77 -26.823 -0.632 5.921 1.00 1.40 H new ATOM 0 HZ1 LYS A 77 -28.515 -1.417 7.438 1.00 2.19 H new ATOM 0 HZ2 LYS A 77 -27.458 -2.686 7.042 1.00 2.19 H new ATOM 0 HZ3 LYS A 77 -27.338 -1.920 8.553 1.00 2.19 H new ATOM 1196 N LYS A 78 -20.599 -2.650 8.055 1.00 0.76 N ATOM 1197 CA LYS A 78 -19.361 -3.372 7.843 1.00 0.71 C ATOM 1198 C LYS A 78 -19.464 -4.184 6.568 1.00 0.61 C ATOM 1199 O LYS A 78 -20.213 -5.159 6.489 1.00 0.70 O ATOM 1200 CB LYS A 78 -19.013 -4.258 9.038 1.00 0.88 C ATOM 1201 CG LYS A 78 -18.669 -3.452 10.279 1.00 1.05 C ATOM 1202 CD LYS A 78 -18.359 -4.326 11.491 1.00 1.31 C ATOM 1203 CE LYS A 78 -17.087 -5.149 11.310 1.00 1.47 C ATOM 1204 NZ LYS A 78 -17.335 -6.440 10.610 1.00 1.55 N ATOM 0 H LYS A 78 -21.339 -3.189 8.504 1.00 0.76 H new ATOM 0 HA LYS A 78 -18.550 -2.651 7.741 1.00 0.71 H new ATOM 0 HB2 LYS A 78 -19.855 -4.914 9.257 1.00 0.88 H new ATOM 0 HB3 LYS A 78 -18.169 -4.898 8.779 1.00 0.88 H new ATOM 0 HG2 LYS A 78 -17.809 -2.817 10.066 1.00 1.05 H new ATOM 0 HG3 LYS A 78 -19.502 -2.791 10.518 1.00 1.05 H new ATOM 0 HD2 LYS A 78 -18.256 -3.694 12.373 1.00 1.31 H new ATOM 0 HD3 LYS A 78 -19.198 -4.997 11.675 1.00 1.31 H new ATOM 0 HE2 LYS A 78 -16.360 -4.567 10.744 1.00 1.47 H new ATOM 0 HE3 LYS A 78 -16.646 -5.348 12.286 1.00 1.47 H new ATOM 0 HZ1 LYS A 78 -17.217 -7.227 11.280 1.00 1.55 H new ATOM 0 HZ2 LYS A 78 -18.304 -6.449 10.232 1.00 1.55 H new ATOM 0 HZ3 LYS A 78 -16.657 -6.547 9.828 1.00 1.55 H new ATOM 1218 N VAL A 79 -18.710 -3.762 5.573 1.00 0.51 N ATOM 1219 CA VAL A 79 -18.770 -4.339 4.242 1.00 0.42 C ATOM 1220 C VAL A 79 -17.382 -4.803 3.848 1.00 0.37 C ATOM 1221 O VAL A 79 -16.446 -4.681 4.638 1.00 0.38 O ATOM 1222 CB VAL A 79 -19.283 -3.318 3.197 1.00 0.35 C ATOM 1223 CG1 VAL A 79 -20.708 -2.891 3.507 1.00 0.41 C ATOM 1224 CG2 VAL A 79 -18.362 -2.104 3.125 1.00 0.34 C ATOM 0 H VAL A 79 -18.033 -3.004 5.664 1.00 0.51 H new ATOM 0 HA VAL A 79 -19.468 -5.176 4.262 1.00 0.42 H new ATOM 0 HB VAL A 79 -19.280 -3.807 2.223 1.00 0.35 H new ATOM 0 HG11 VAL A 79 -21.044 -2.174 2.758 1.00 0.41 H new ATOM 0 HG12 VAL A 79 -21.361 -3.764 3.492 1.00 0.41 H new ATOM 0 HG13 VAL A 79 -20.743 -2.429 4.493 1.00 0.41 H new ATOM 0 HG21 VAL A 79 -18.743 -1.401 2.384 1.00 0.34 H new ATOM 0 HG22 VAL A 79 -18.324 -1.618 4.100 1.00 0.34 H new ATOM 0 HG23 VAL A 79 -17.360 -2.424 2.839 1.00 0.34 H new ATOM 1234 N THR A 80 -17.234 -5.313 2.642 1.00 0.34 N ATOM 1235 CA THR A 80 -15.939 -5.765 2.181 1.00 0.30 C ATOM 1236 C THR A 80 -15.448 -4.822 1.093 1.00 0.23 C ATOM 1237 O THR A 80 -16.231 -4.351 0.267 1.00 0.21 O ATOM 1238 CB THR A 80 -16.019 -7.203 1.636 1.00 0.34 C ATOM 1239 OG1 THR A 80 -17.086 -7.312 0.684 1.00 0.67 O ATOM 1240 CG2 THR A 80 -16.244 -8.196 2.763 1.00 0.65 C ATOM 0 H THR A 80 -17.991 -5.424 1.967 1.00 0.34 H new ATOM 0 HA THR A 80 -15.242 -5.763 3.019 1.00 0.30 H new ATOM 0 HB THR A 80 -15.072 -7.433 1.149 1.00 0.34 H new ATOM 0 HG1 THR A 80 -17.127 -8.230 0.342 1.00 0.67 H new ATOM 0 HG21 THR A 80 -16.297 -9.205 2.354 1.00 0.65 H new ATOM 0 HG22 THR A 80 -15.418 -8.135 3.472 1.00 0.65 H new ATOM 0 HG23 THR A 80 -17.178 -7.962 3.273 1.00 0.65 H new ATOM 1248 N ILE A 81 -14.147 -4.562 1.098 1.00 0.24 N ATOM 1249 CA ILE A 81 -13.549 -3.538 0.248 1.00 0.23 C ATOM 1250 C ILE A 81 -13.698 -3.865 -1.240 1.00 0.20 C ATOM 1251 O ILE A 81 -13.796 -2.962 -2.069 1.00 0.22 O ATOM 1252 CB ILE A 81 -12.061 -3.337 0.612 1.00 0.28 C ATOM 1253 CG1 ILE A 81 -11.936 -2.758 2.021 1.00 0.37 C ATOM 1254 CG2 ILE A 81 -11.357 -2.437 -0.387 1.00 0.32 C ATOM 1255 CD1 ILE A 81 -10.509 -2.663 2.512 1.00 0.71 C ATOM 0 H ILE A 81 -13.477 -5.053 1.690 1.00 0.24 H new ATOM 0 HA ILE A 81 -14.089 -2.609 0.430 1.00 0.23 H new ATOM 0 HB ILE A 81 -11.577 -4.313 0.579 1.00 0.28 H new ATOM 0 HG12 ILE A 81 -12.384 -1.764 2.038 1.00 0.37 H new ATOM 0 HG13 ILE A 81 -12.509 -3.377 2.711 1.00 0.37 H new ATOM 0 HG21 ILE A 81 -10.313 -2.319 -0.098 1.00 0.32 H new ATOM 0 HG22 ILE A 81 -11.410 -2.884 -1.380 1.00 0.32 H new ATOM 0 HG23 ILE A 81 -11.842 -1.461 -0.402 1.00 0.32 H new ATOM 0 HD11 ILE A 81 -10.498 -2.244 3.518 1.00 0.71 H new ATOM 0 HD12 ILE A 81 -10.063 -3.657 2.528 1.00 0.71 H new ATOM 0 HD13 ILE A 81 -9.936 -2.019 1.844 1.00 0.71 H new ATOM 1267 N ALA A 82 -13.741 -5.149 -1.573 1.00 0.17 N ATOM 1268 CA ALA A 82 -13.881 -5.560 -2.966 1.00 0.17 C ATOM 1269 C ALA A 82 -15.213 -5.092 -3.555 1.00 0.18 C ATOM 1270 O ALA A 82 -15.246 -4.455 -4.607 1.00 0.21 O ATOM 1271 CB ALA A 82 -13.753 -7.068 -3.085 1.00 0.17 C ATOM 0 H ALA A 82 -13.682 -5.918 -0.905 1.00 0.17 H new ATOM 0 HA ALA A 82 -13.080 -5.089 -3.536 1.00 0.17 H new ATOM 0 HB1 ALA A 82 -13.859 -7.361 -4.130 1.00 0.17 H new ATOM 0 HB2 ALA A 82 -12.775 -7.380 -2.718 1.00 0.17 H new ATOM 0 HB3 ALA A 82 -14.532 -7.547 -2.493 1.00 0.17 H new ATOM 1277 N SER A 83 -16.304 -5.387 -2.860 1.00 0.18 N ATOM 1278 CA SER A 83 -17.629 -4.979 -3.312 1.00 0.20 C ATOM 1279 C SER A 83 -17.823 -3.483 -3.093 1.00 0.21 C ATOM 1280 O SER A 83 -18.550 -2.812 -3.832 1.00 0.25 O ATOM 1281 CB SER A 83 -18.694 -5.767 -2.555 1.00 0.23 C ATOM 1282 OG SER A 83 -18.437 -7.161 -2.635 1.00 1.11 O ATOM 0 H SER A 83 -16.298 -5.907 -1.982 1.00 0.18 H new ATOM 0 HA SER A 83 -17.723 -5.187 -4.378 1.00 0.20 H new ATOM 0 HB2 SER A 83 -18.711 -5.455 -1.511 1.00 0.23 H new ATOM 0 HB3 SER A 83 -19.678 -5.549 -2.969 1.00 0.23 H new ATOM 0 HG SER A 83 -19.129 -7.650 -2.143 1.00 1.11 H new ATOM 1288 N TYR A 84 -17.152 -2.977 -2.069 1.00 0.21 N ATOM 1289 CA TYR A 84 -17.200 -1.571 -1.711 1.00 0.24 C ATOM 1290 C TYR A 84 -16.658 -0.690 -2.838 1.00 0.25 C ATOM 1291 O TYR A 84 -17.309 0.274 -3.237 1.00 0.30 O ATOM 1292 CB TYR A 84 -16.418 -1.382 -0.408 1.00 0.25 C ATOM 1293 CG TYR A 84 -15.964 0.023 -0.109 1.00 0.28 C ATOM 1294 CD1 TYR A 84 -16.900 1.013 0.137 1.00 0.31 C ATOM 1295 CD2 TYR A 84 -14.620 0.370 -0.104 1.00 0.31 C ATOM 1296 CE1 TYR A 84 -16.520 2.311 0.386 1.00 0.38 C ATOM 1297 CE2 TYR A 84 -14.225 1.669 0.150 1.00 0.37 C ATOM 1298 CZ TYR A 84 -15.079 2.586 0.493 1.00 0.39 C ATOM 1299 OH TYR A 84 -14.781 3.935 0.631 1.00 0.49 O ATOM 0 H TYR A 84 -16.555 -3.536 -1.460 1.00 0.21 H new ATOM 0 HA TYR A 84 -18.234 -1.261 -1.558 1.00 0.24 H new ATOM 0 HB2 TYR A 84 -17.040 -1.726 0.419 1.00 0.25 H new ATOM 0 HB3 TYR A 84 -15.540 -2.028 -0.437 1.00 0.25 H new ATOM 0 HD1 TYR A 84 -17.950 0.761 0.133 1.00 0.31 H new ATOM 0 HD2 TYR A 84 -13.874 -0.385 -0.301 1.00 0.31 H new ATOM 0 HE1 TYR A 84 -17.251 3.098 0.499 1.00 0.38 H new ATOM 0 HE2 TYR A 84 -13.180 1.929 0.061 1.00 0.37 H new ATOM 0 HH TYR A 84 -13.810 4.050 0.698 1.00 0.49 H new ATOM 1309 N PHE A 85 -15.490 -1.035 -3.373 1.00 0.22 N ATOM 1310 CA PHE A 85 -14.928 -0.288 -4.493 1.00 0.23 C ATOM 1311 C PHE A 85 -15.676 -0.602 -5.779 1.00 0.25 C ATOM 1312 O PHE A 85 -15.839 0.265 -6.634 1.00 0.28 O ATOM 1313 CB PHE A 85 -13.435 -0.577 -4.667 1.00 0.22 C ATOM 1314 CG PHE A 85 -12.549 0.288 -3.818 1.00 0.25 C ATOM 1315 CD1 PHE A 85 -12.112 1.516 -4.284 1.00 0.48 C ATOM 1316 CD2 PHE A 85 -12.157 -0.119 -2.556 1.00 0.35 C ATOM 1317 CE1 PHE A 85 -11.299 2.319 -3.509 1.00 0.54 C ATOM 1318 CE2 PHE A 85 -11.342 0.681 -1.775 1.00 0.39 C ATOM 1319 CZ PHE A 85 -10.915 1.901 -2.252 1.00 0.39 C ATOM 0 H PHE A 85 -14.920 -1.818 -3.053 1.00 0.22 H new ATOM 0 HA PHE A 85 -15.043 0.773 -4.269 1.00 0.23 H new ATOM 0 HB2 PHE A 85 -13.246 -1.623 -4.425 1.00 0.22 H new ATOM 0 HB3 PHE A 85 -13.167 -0.439 -5.714 1.00 0.22 H new ATOM 0 HD1 PHE A 85 -12.411 1.850 -5.267 1.00 0.48 H new ATOM 0 HD2 PHE A 85 -12.491 -1.073 -2.175 1.00 0.35 H new ATOM 0 HE1 PHE A 85 -10.964 3.274 -3.887 1.00 0.54 H new ATOM 0 HE2 PHE A 85 -11.041 0.349 -0.792 1.00 0.39 H new ATOM 0 HZ PHE A 85 -10.281 2.529 -1.643 1.00 0.39 H new ATOM 1329 N HIS A 86 -16.147 -1.836 -5.903 1.00 0.24 N ATOM 1330 CA HIS A 86 -16.894 -2.259 -7.083 1.00 0.29 C ATOM 1331 C HIS A 86 -18.141 -1.394 -7.269 1.00 0.31 C ATOM 1332 O HIS A 86 -18.425 -0.922 -8.371 1.00 0.36 O ATOM 1333 CB HIS A 86 -17.275 -3.738 -6.965 1.00 0.31 C ATOM 1334 CG HIS A 86 -17.985 -4.276 -8.169 1.00 0.61 C ATOM 1335 ND1 HIS A 86 -19.196 -4.912 -8.058 1.00 1.62 N ATOM 1336 CD2 HIS A 86 -17.614 -4.251 -9.470 1.00 0.88 C ATOM 1337 CE1 HIS A 86 -19.536 -5.254 -9.290 1.00 1.76 C ATOM 1338 NE2 HIS A 86 -18.607 -4.875 -10.180 1.00 1.19 N ATOM 0 H HIS A 86 -16.025 -2.564 -5.199 1.00 0.24 H new ATOM 0 HA HIS A 86 -16.260 -2.133 -7.960 1.00 0.29 H new ATOM 0 HB2 HIS A 86 -16.372 -4.324 -6.795 1.00 0.31 H new ATOM 0 HB3 HIS A 86 -17.911 -3.871 -6.090 1.00 0.31 H new ATOM 0 HD2 HIS A 86 -16.708 -3.821 -9.872 1.00 0.88 H new ATOM 0 HE1 HIS A 86 -20.447 -5.773 -9.547 1.00 1.76 H new ATOM 0 HE2 HIS A 86 -18.634 -5.022 -11.189 1.00 1.19 H new ATOM 1346 N SER A 87 -18.867 -1.163 -6.184 1.00 0.33 N ATOM 1347 CA SER A 87 -20.051 -0.318 -6.230 1.00 0.37 C ATOM 1348 C SER A 87 -19.647 1.146 -6.394 1.00 0.36 C ATOM 1349 O SER A 87 -20.346 1.936 -7.027 1.00 0.44 O ATOM 1350 CB SER A 87 -20.865 -0.504 -4.949 1.00 0.44 C ATOM 1351 OG SER A 87 -21.164 -1.876 -4.733 1.00 1.34 O ATOM 0 H SER A 87 -18.657 -1.548 -5.263 1.00 0.33 H new ATOM 0 HA SER A 87 -20.663 -0.605 -7.085 1.00 0.37 H new ATOM 0 HB2 SER A 87 -20.307 -0.111 -4.099 1.00 0.44 H new ATOM 0 HB3 SER A 87 -21.791 0.068 -5.015 1.00 0.44 H new ATOM 0 HG SER A 87 -20.360 -2.341 -4.420 1.00 1.34 H new ATOM 1357 N ARG A 88 -18.488 1.480 -5.839 1.00 0.32 N ATOM 1358 CA ARG A 88 -17.952 2.838 -5.899 1.00 0.36 C ATOM 1359 C ARG A 88 -17.251 3.110 -7.232 1.00 0.38 C ATOM 1360 O ARG A 88 -16.469 4.054 -7.345 1.00 0.47 O ATOM 1361 CB ARG A 88 -17.006 3.101 -4.726 1.00 0.44 C ATOM 1362 CG ARG A 88 -17.678 3.752 -3.521 1.00 0.83 C ATOM 1363 CD ARG A 88 -18.837 2.923 -2.992 1.00 1.10 C ATOM 1364 NE ARG A 88 -19.485 3.542 -1.836 1.00 1.79 N ATOM 1365 CZ ARG A 88 -20.370 2.917 -1.055 1.00 2.33 C ATOM 1366 NH1 ARG A 88 -20.701 1.656 -1.309 1.00 2.20 N ATOM 1367 NH2 ARG A 88 -20.916 3.551 -0.024 1.00 3.30 N ATOM 0 H ARG A 88 -17.894 0.821 -5.336 1.00 0.32 H new ATOM 0 HA ARG A 88 -18.794 3.526 -5.824 1.00 0.36 H new ATOM 0 HB2 ARG A 88 -16.559 2.157 -4.414 1.00 0.44 H new ATOM 0 HB3 ARG A 88 -16.192 3.742 -5.065 1.00 0.44 H new ATOM 0 HG2 ARG A 88 -16.943 3.892 -2.729 1.00 0.83 H new ATOM 0 HG3 ARG A 88 -18.039 4.742 -3.799 1.00 0.83 H new ATOM 0 HD2 ARG A 88 -19.572 2.783 -3.785 1.00 1.10 H new ATOM 0 HD3 ARG A 88 -18.475 1.933 -2.715 1.00 1.10 H new ATOM 0 HE ARG A 88 -19.247 4.508 -1.613 1.00 1.79 H new ATOM 0 HH11 ARG A 88 -20.280 1.167 -2.099 1.00 2.20 H new ATOM 0 HH12 ARG A 88 -21.377 1.176 -0.714 1.00 2.20 H new ATOM 0 HH21 ARG A 88 -20.660 4.518 0.174 1.00 3.30 H new ATOM 0 HH22 ARG A 88 -21.592 3.071 0.570 1.00 3.30 H new ATOM 1381 N ASN A 89 -17.502 2.242 -8.213 1.00 0.37 N ATOM 1382 CA ASN A 89 -17.079 2.454 -9.603 1.00 0.44 C ATOM 1383 C ASN A 89 -15.590 2.222 -9.813 1.00 0.48 C ATOM 1384 O ASN A 89 -14.990 2.806 -10.716 1.00 0.66 O ATOM 1385 CB ASN A 89 -17.456 3.858 -10.101 1.00 0.51 C ATOM 1386 CG ASN A 89 -18.944 4.022 -10.324 1.00 1.01 C ATOM 1387 OD1 ASN A 89 -19.688 4.389 -9.413 1.00 1.58 O ATOM 1388 ND2 ASN A 89 -19.386 3.755 -11.541 1.00 1.87 N ATOM 0 H ASN A 89 -18.006 1.367 -8.068 1.00 0.37 H new ATOM 0 HA ASN A 89 -17.617 1.709 -10.189 1.00 0.44 H new ATOM 0 HB2 ASN A 89 -17.118 4.598 -9.376 1.00 0.51 H new ATOM 0 HB3 ASN A 89 -16.929 4.061 -11.033 1.00 0.51 H new ATOM 0 HD21 ASN A 89 -20.379 3.850 -11.755 1.00 1.87 H new ATOM 0 HD22 ASN A 89 -18.734 3.454 -12.266 1.00 1.87 H new ATOM 1395 N TYR A 90 -14.987 1.378 -8.995 1.00 0.36 N ATOM 1396 CA TYR A 90 -13.622 0.958 -9.248 1.00 0.36 C ATOM 1397 C TYR A 90 -13.472 -0.540 -9.029 1.00 0.33 C ATOM 1398 O TYR A 90 -13.274 -1.002 -7.907 1.00 0.30 O ATOM 1399 CB TYR A 90 -12.609 1.719 -8.385 1.00 0.37 C ATOM 1400 CG TYR A 90 -11.184 1.404 -8.783 1.00 0.42 C ATOM 1401 CD1 TYR A 90 -10.615 1.991 -9.907 1.00 0.57 C ATOM 1402 CD2 TYR A 90 -10.428 0.483 -8.071 1.00 0.42 C ATOM 1403 CE1 TYR A 90 -9.331 1.678 -10.302 1.00 0.66 C ATOM 1404 CE2 TYR A 90 -9.146 0.156 -8.467 1.00 0.51 C ATOM 1405 CZ TYR A 90 -8.602 0.756 -9.581 1.00 0.61 C ATOM 1406 OH TYR A 90 -7.335 0.416 -9.986 1.00 0.73 O ATOM 0 H TYR A 90 -15.414 0.975 -8.161 1.00 0.36 H new ATOM 0 HA TYR A 90 -13.407 1.193 -10.290 1.00 0.36 H new ATOM 0 HB2 TYR A 90 -12.784 2.791 -8.479 1.00 0.37 H new ATOM 0 HB3 TYR A 90 -12.759 1.462 -7.336 1.00 0.37 H new ATOM 0 HD1 TYR A 90 -11.188 2.704 -10.481 1.00 0.57 H new ATOM 0 HD2 TYR A 90 -10.849 0.015 -7.194 1.00 0.42 H new ATOM 0 HE1 TYR A 90 -8.899 2.152 -11.171 1.00 0.66 H new ATOM 0 HE2 TYR A 90 -8.573 -0.567 -7.906 1.00 0.51 H new ATOM 0 HH TYR A 90 -6.677 0.905 -9.449 1.00 0.73 H new ATOM 1416 N PRO A 91 -13.577 -1.321 -10.107 1.00 0.38 N ATOM 1417 CA PRO A 91 -13.347 -2.760 -10.052 1.00 0.38 C ATOM 1418 C PRO A 91 -11.861 -3.074 -9.879 1.00 0.36 C ATOM 1419 O PRO A 91 -11.062 -2.889 -10.801 1.00 0.45 O ATOM 1420 CB PRO A 91 -13.871 -3.251 -11.402 1.00 0.45 C ATOM 1421 CG PRO A 91 -13.737 -2.082 -12.316 1.00 0.50 C ATOM 1422 CD PRO A 91 -13.931 -0.859 -11.463 1.00 0.47 C ATOM 0 HA PRO A 91 -13.840 -3.241 -9.208 1.00 0.38 H new ATOM 0 HB2 PRO A 91 -13.294 -4.102 -11.763 1.00 0.45 H new ATOM 0 HB3 PRO A 91 -14.908 -3.577 -11.328 1.00 0.45 H new ATOM 0 HG2 PRO A 91 -12.758 -2.072 -12.794 1.00 0.50 H new ATOM 0 HG3 PRO A 91 -14.480 -2.123 -13.112 1.00 0.50 H new ATOM 0 HD2 PRO A 91 -13.290 -0.039 -11.787 1.00 0.47 H new ATOM 0 HD3 PRO A 91 -14.958 -0.498 -11.508 1.00 0.47 H new ATOM 1430 N LEU A 92 -11.500 -3.515 -8.680 1.00 0.32 N ATOM 1431 CA LEU A 92 -10.108 -3.788 -8.330 1.00 0.32 C ATOM 1432 C LEU A 92 -9.474 -4.792 -9.285 1.00 0.30 C ATOM 1433 O LEU A 92 -10.083 -5.801 -9.640 1.00 0.30 O ATOM 1434 CB LEU A 92 -10.018 -4.334 -6.905 1.00 0.34 C ATOM 1435 CG LEU A 92 -10.583 -3.423 -5.813 1.00 0.33 C ATOM 1436 CD1 LEU A 92 -10.580 -4.137 -4.469 1.00 0.39 C ATOM 1437 CD2 LEU A 92 -9.782 -2.135 -5.729 1.00 0.32 C ATOM 0 H LEU A 92 -12.161 -3.694 -7.924 1.00 0.32 H new ATOM 0 HA LEU A 92 -9.565 -2.846 -8.405 1.00 0.32 H new ATOM 0 HB2 LEU A 92 -10.544 -5.288 -6.866 1.00 0.34 H new ATOM 0 HB3 LEU A 92 -8.972 -4.538 -6.678 1.00 0.34 H new ATOM 0 HG LEU A 92 -11.613 -3.175 -6.071 1.00 0.33 H new ATOM 0 HD11 LEU A 92 -10.985 -3.474 -3.704 1.00 0.39 H new ATOM 0 HD12 LEU A 92 -11.194 -5.035 -4.533 1.00 0.39 H new ATOM 0 HD13 LEU A 92 -9.559 -4.413 -4.206 1.00 0.39 H new ATOM 0 HD21 LEU A 92 -10.197 -1.499 -4.948 1.00 0.32 H new ATOM 0 HD22 LEU A 92 -8.743 -2.367 -5.494 1.00 0.32 H new ATOM 0 HD23 LEU A 92 -9.830 -1.614 -6.685 1.00 0.32 H new ATOM 1449 N LYS A 93 -8.246 -4.494 -9.701 1.00 0.30 N ATOM 1450 CA LYS A 93 -7.482 -5.397 -10.552 1.00 0.30 C ATOM 1451 C LYS A 93 -7.077 -6.632 -9.761 1.00 0.31 C ATOM 1452 O LYS A 93 -6.884 -7.710 -10.315 1.00 0.36 O ATOM 1453 CB LYS A 93 -6.220 -4.721 -11.077 1.00 0.38 C ATOM 1454 CG LYS A 93 -6.429 -3.351 -11.688 1.00 0.53 C ATOM 1455 CD LYS A 93 -5.093 -2.745 -12.072 1.00 0.84 C ATOM 1456 CE LYS A 93 -5.183 -1.242 -12.228 1.00 1.06 C ATOM 1457 NZ LYS A 93 -3.840 -0.611 -12.174 1.00 1.55 N ATOM 0 H LYS A 93 -7.759 -3.631 -9.461 1.00 0.30 H new ATOM 0 HA LYS A 93 -8.114 -5.676 -11.395 1.00 0.30 H new ATOM 0 HB2 LYS A 93 -5.508 -4.631 -10.257 1.00 0.38 H new ATOM 0 HB3 LYS A 93 -5.764 -5.369 -11.825 1.00 0.38 H new ATOM 0 HG2 LYS A 93 -7.068 -3.430 -12.567 1.00 0.53 H new ATOM 0 HG3 LYS A 93 -6.942 -2.702 -10.978 1.00 0.53 H new ATOM 0 HD2 LYS A 93 -4.351 -2.988 -11.311 1.00 0.84 H new ATOM 0 HD3 LYS A 93 -4.748 -3.188 -13.006 1.00 0.84 H new ATOM 0 HE2 LYS A 93 -5.662 -1.001 -13.177 1.00 1.06 H new ATOM 0 HE3 LYS A 93 -5.812 -0.830 -11.439 1.00 1.06 H new ATOM 0 HZ1 LYS A 93 -3.813 0.204 -12.819 1.00 1.55 H new ATOM 0 HZ2 LYS A 93 -3.645 -0.291 -11.204 1.00 1.55 H new ATOM 0 HZ3 LYS A 93 -3.119 -1.304 -12.461 1.00 1.55 H new ATOM 1471 N PHE A 94 -6.958 -6.447 -8.454 1.00 0.35 N ATOM 1472 CA PHE A 94 -6.555 -7.504 -7.543 1.00 0.44 C ATOM 1473 C PHE A 94 -7.566 -7.582 -6.398 1.00 0.44 C ATOM 1474 O PHE A 94 -7.267 -7.173 -5.275 1.00 0.48 O ATOM 1475 CB PHE A 94 -5.170 -7.229 -6.940 1.00 0.58 C ATOM 1476 CG PHE A 94 -4.108 -6.717 -7.884 1.00 0.58 C ATOM 1477 CD1 PHE A 94 -4.166 -5.425 -8.387 1.00 0.57 C ATOM 1478 CD2 PHE A 94 -3.028 -7.513 -8.230 1.00 0.70 C ATOM 1479 CE1 PHE A 94 -3.175 -4.943 -9.220 1.00 0.61 C ATOM 1480 CE2 PHE A 94 -2.037 -7.036 -9.064 1.00 0.77 C ATOM 1481 CZ PHE A 94 -2.109 -5.750 -9.559 1.00 0.70 C ATOM 0 H PHE A 94 -7.140 -5.554 -7.995 1.00 0.35 H new ATOM 0 HA PHE A 94 -6.515 -8.438 -8.104 1.00 0.44 H new ATOM 0 HB2 PHE A 94 -5.288 -6.504 -6.135 1.00 0.58 H new ATOM 0 HB3 PHE A 94 -4.807 -8.152 -6.488 1.00 0.58 H new ATOM 0 HD1 PHE A 94 -4.997 -4.788 -8.124 1.00 0.57 H new ATOM 0 HD2 PHE A 94 -2.961 -8.519 -7.842 1.00 0.70 H new ATOM 0 HE1 PHE A 94 -3.235 -3.936 -9.605 1.00 0.61 H new ATOM 0 HE2 PHE A 94 -1.204 -7.670 -9.329 1.00 0.77 H new ATOM 0 HZ PHE A 94 -1.333 -5.376 -10.210 1.00 0.70 H new ATOM 1491 N PRO A 95 -8.787 -8.071 -6.674 1.00 0.45 N ATOM 1492 CA PRO A 95 -9.849 -8.193 -5.666 1.00 0.52 C ATOM 1493 C PRO A 95 -9.411 -8.950 -4.413 1.00 0.51 C ATOM 1494 O PRO A 95 -9.986 -8.779 -3.337 1.00 0.55 O ATOM 1495 CB PRO A 95 -10.945 -8.983 -6.384 1.00 0.66 C ATOM 1496 CG PRO A 95 -10.705 -8.764 -7.838 1.00 0.57 C ATOM 1497 CD PRO A 95 -9.231 -8.513 -8.004 1.00 0.45 C ATOM 0 HA PRO A 95 -10.159 -7.210 -5.311 1.00 0.52 H new ATOM 0 HB2 PRO A 95 -10.894 -10.042 -6.133 1.00 0.66 H new ATOM 0 HB3 PRO A 95 -11.936 -8.634 -6.093 1.00 0.66 H new ATOM 0 HG2 PRO A 95 -11.016 -9.634 -8.416 1.00 0.57 H new ATOM 0 HG3 PRO A 95 -11.285 -7.916 -8.202 1.00 0.57 H new ATOM 0 HD2 PRO A 95 -8.707 -9.415 -8.319 1.00 0.45 H new ATOM 0 HD3 PRO A 95 -9.040 -7.752 -8.761 1.00 0.45 H new ATOM 1505 N GLN A 96 -8.383 -9.774 -4.552 1.00 0.56 N ATOM 1506 CA GLN A 96 -7.942 -10.628 -3.461 1.00 0.70 C ATOM 1507 C GLN A 96 -6.683 -10.085 -2.784 1.00 0.75 C ATOM 1508 O GLN A 96 -5.979 -10.818 -2.093 1.00 0.96 O ATOM 1509 CB GLN A 96 -7.705 -12.049 -3.972 1.00 0.83 C ATOM 1510 CG GLN A 96 -8.947 -12.676 -4.585 1.00 0.93 C ATOM 1511 CD GLN A 96 -8.744 -14.122 -4.988 1.00 1.70 C ATOM 1512 OE1 GLN A 96 -7.638 -14.539 -5.324 1.00 2.40 O ATOM 1513 NE2 GLN A 96 -9.815 -14.897 -4.953 1.00 2.31 N ATOM 0 H GLN A 96 -7.839 -9.869 -5.410 1.00 0.56 H new ATOM 0 HA GLN A 96 -8.732 -10.643 -2.710 1.00 0.70 H new ATOM 0 HB2 GLN A 96 -6.908 -12.033 -4.716 1.00 0.83 H new ATOM 0 HB3 GLN A 96 -7.359 -12.673 -3.147 1.00 0.83 H new ATOM 0 HG2 GLN A 96 -9.768 -12.616 -3.870 1.00 0.93 H new ATOM 0 HG3 GLN A 96 -9.244 -12.099 -5.461 1.00 0.93 H new ATOM 0 HE21 GLN A 96 -10.715 -14.511 -4.668 1.00 2.31 H new ATOM 0 HE22 GLN A 96 -9.741 -15.881 -5.211 1.00 2.31 H new ATOM 1522 N LEU A 97 -6.403 -8.799 -2.979 1.00 0.67 N ATOM 1523 CA LEU A 97 -5.291 -8.154 -2.286 1.00 0.81 C ATOM 1524 C LEU A 97 -5.616 -7.954 -0.819 1.00 0.61 C ATOM 1525 O LEU A 97 -6.715 -7.519 -0.472 1.00 0.55 O ATOM 1526 CB LEU A 97 -4.955 -6.792 -2.901 1.00 1.09 C ATOM 1527 CG LEU A 97 -3.912 -6.805 -4.016 1.00 1.70 C ATOM 1528 CD1 LEU A 97 -3.576 -5.383 -4.439 1.00 2.43 C ATOM 1529 CD2 LEU A 97 -2.655 -7.539 -3.570 1.00 2.44 C ATOM 0 H LEU A 97 -6.926 -8.187 -3.606 1.00 0.67 H new ATOM 0 HA LEU A 97 -4.430 -8.814 -2.390 1.00 0.81 H new ATOM 0 HB2 LEU A 97 -5.873 -6.355 -3.293 1.00 1.09 H new ATOM 0 HB3 LEU A 97 -4.603 -6.133 -2.107 1.00 1.09 H new ATOM 0 HG LEU A 97 -4.330 -7.335 -4.872 1.00 1.70 H new ATOM 0 HD11 LEU A 97 -2.831 -5.406 -5.235 1.00 2.43 H new ATOM 0 HD12 LEU A 97 -4.478 -4.888 -4.800 1.00 2.43 H new ATOM 0 HD13 LEU A 97 -3.178 -4.834 -3.586 1.00 2.43 H new ATOM 0 HD21 LEU A 97 -1.925 -7.536 -4.380 1.00 2.44 H new ATOM 0 HD22 LEU A 97 -2.232 -7.039 -2.699 1.00 2.44 H new ATOM 0 HD23 LEU A 97 -2.907 -8.568 -3.312 1.00 2.44 H new ATOM 1541 N HIS A 98 -4.662 -8.288 0.035 1.00 0.58 N ATOM 1542 CA HIS A 98 -4.769 -7.991 1.452 1.00 0.51 C ATOM 1543 C HIS A 98 -4.880 -6.492 1.659 1.00 0.54 C ATOM 1544 O HIS A 98 -4.188 -5.705 1.007 1.00 0.68 O ATOM 1545 CB HIS A 98 -3.562 -8.538 2.210 1.00 0.53 C ATOM 1546 CG HIS A 98 -3.523 -10.030 2.252 1.00 0.54 C ATOM 1547 ND1 HIS A 98 -3.075 -10.761 1.181 1.00 0.71 N ATOM 1548 CD2 HIS A 98 -3.907 -10.872 3.235 1.00 0.56 C ATOM 1549 CE1 HIS A 98 -3.198 -12.025 1.534 1.00 0.74 C ATOM 1550 NE2 HIS A 98 -3.698 -12.145 2.769 1.00 0.65 N ATOM 0 H HIS A 98 -3.802 -8.767 -0.231 1.00 0.58 H new ATOM 0 HA HIS A 98 -5.666 -8.473 1.841 1.00 0.51 H new ATOM 0 HB2 HIS A 98 -2.649 -8.170 1.742 1.00 0.53 H new ATOM 0 HB3 HIS A 98 -3.575 -8.152 3.229 1.00 0.53 H new ATOM 0 HD2 HIS A 98 -4.302 -10.596 4.202 1.00 0.56 H new ATOM 0 HE1 HIS A 98 -2.929 -12.860 0.904 1.00 0.74 H new ATOM 0 HE2 HIS A 98 -3.887 -13.015 3.267 1.00 0.65 H new ATOM 1558 N CYS A 99 -5.761 -6.111 2.563 1.00 0.46 N ATOM 1559 CA CYS A 99 -6.049 -4.710 2.809 1.00 0.52 C ATOM 1560 C CYS A 99 -4.847 -4.012 3.424 1.00 0.45 C ATOM 1561 O CYS A 99 -4.314 -4.460 4.440 1.00 0.53 O ATOM 1562 CB CYS A 99 -7.253 -4.586 3.736 1.00 0.64 C ATOM 1563 SG CYS A 99 -8.678 -5.553 3.203 1.00 0.55 S ATOM 0 H CYS A 99 -6.294 -6.758 3.144 1.00 0.46 H new ATOM 0 HA CYS A 99 -6.274 -4.230 1.857 1.00 0.52 H new ATOM 0 HB2 CYS A 99 -6.964 -4.903 4.738 1.00 0.64 H new ATOM 0 HB3 CYS A 99 -7.542 -3.537 3.805 1.00 0.64 H new ATOM 0 HG CYS A 99 -8.459 -6.813 3.436 1.00 0.55 H new ATOM 1569 N LEU A 100 -4.417 -2.931 2.795 1.00 0.34 N ATOM 1570 CA LEU A 100 -3.346 -2.116 3.337 1.00 0.30 C ATOM 1571 C LEU A 100 -3.839 -1.431 4.591 1.00 0.29 C ATOM 1572 O LEU A 100 -4.919 -0.841 4.602 1.00 0.28 O ATOM 1573 CB LEU A 100 -2.874 -1.084 2.311 1.00 0.31 C ATOM 1574 CG LEU A 100 -1.862 -0.054 2.809 1.00 0.33 C ATOM 1575 CD1 LEU A 100 -0.582 -0.743 3.238 1.00 0.40 C ATOM 1576 CD2 LEU A 100 -1.581 0.975 1.724 1.00 0.40 C ATOM 0 H LEU A 100 -4.794 -2.598 1.908 1.00 0.34 H new ATOM 0 HA LEU A 100 -2.495 -2.753 3.579 1.00 0.30 H new ATOM 0 HB2 LEU A 100 -2.435 -1.616 1.467 1.00 0.31 H new ATOM 0 HB3 LEU A 100 -3.747 -0.552 1.933 1.00 0.31 H new ATOM 0 HG LEU A 100 -2.281 0.463 3.672 1.00 0.33 H new ATOM 0 HD11 LEU A 100 0.131 0.002 3.591 1.00 0.40 H new ATOM 0 HD12 LEU A 100 -0.799 -1.447 4.042 1.00 0.40 H new ATOM 0 HD13 LEU A 100 -0.156 -1.280 2.390 1.00 0.40 H new ATOM 0 HD21 LEU A 100 -0.858 1.703 2.092 1.00 0.40 H new ATOM 0 HD22 LEU A 100 -1.176 0.475 0.844 1.00 0.40 H new ATOM 0 HD23 LEU A 100 -2.507 1.485 1.458 1.00 0.40 H new ATOM 1588 N ASN A 101 -3.057 -1.522 5.647 1.00 0.30 N ATOM 1589 CA ASN A 101 -3.456 -0.971 6.921 1.00 0.32 C ATOM 1590 C ASN A 101 -2.664 0.292 7.187 1.00 0.30 C ATOM 1591 O ASN A 101 -1.481 0.243 7.531 1.00 0.35 O ATOM 1592 CB ASN A 101 -3.241 -1.992 8.045 1.00 0.38 C ATOM 1593 CG ASN A 101 -3.573 -1.442 9.420 1.00 0.44 C ATOM 1594 OD1 ASN A 101 -2.715 -0.897 10.117 1.00 1.01 O ATOM 1595 ND2 ASN A 101 -4.823 -1.588 9.824 1.00 0.89 N ATOM 0 H ASN A 101 -2.142 -1.973 5.646 1.00 0.30 H new ATOM 0 HA ASN A 101 -4.519 -0.730 6.891 1.00 0.32 H new ATOM 0 HB2 ASN A 101 -3.857 -2.870 7.853 1.00 0.38 H new ATOM 0 HB3 ASN A 101 -2.202 -2.323 8.034 1.00 0.38 H new ATOM 0 HD21 ASN A 101 -5.106 -1.244 10.742 1.00 0.89 H new ATOM 0 HD22 ASN A 101 -5.505 -2.045 9.218 1.00 0.89 H new ATOM 1602 N VAL A 102 -3.306 1.421 6.991 1.00 0.26 N ATOM 1603 CA VAL A 102 -2.640 2.698 7.150 1.00 0.25 C ATOM 1604 C VAL A 102 -3.249 3.502 8.286 1.00 0.32 C ATOM 1605 O VAL A 102 -4.347 3.205 8.752 1.00 0.36 O ATOM 1606 CB VAL A 102 -2.677 3.526 5.849 1.00 0.21 C ATOM 1607 CG1 VAL A 102 -1.802 2.892 4.786 1.00 0.21 C ATOM 1608 CG2 VAL A 102 -4.101 3.665 5.340 1.00 0.22 C ATOM 0 H VAL A 102 -4.288 1.483 6.721 1.00 0.26 H new ATOM 0 HA VAL A 102 -1.600 2.481 7.392 1.00 0.25 H new ATOM 0 HB VAL A 102 -2.290 4.520 6.071 1.00 0.21 H new ATOM 0 HG11 VAL A 102 -1.842 3.491 3.877 1.00 0.21 H new ATOM 0 HG12 VAL A 102 -0.773 2.843 5.143 1.00 0.21 H new ATOM 0 HG13 VAL A 102 -2.160 1.885 4.573 1.00 0.21 H new ATOM 0 HG21 VAL A 102 -4.103 4.252 4.422 1.00 0.22 H new ATOM 0 HG22 VAL A 102 -4.514 2.676 5.139 1.00 0.22 H new ATOM 0 HG23 VAL A 102 -4.709 4.166 6.093 1.00 0.22 H new ATOM 1618 N GLY A 103 -2.520 4.506 8.735 1.00 0.38 N ATOM 1619 CA GLY A 103 -2.992 5.344 9.810 1.00 0.50 C ATOM 1620 C GLY A 103 -2.259 5.062 11.098 1.00 0.65 C ATOM 1621 O GLY A 103 -1.041 5.231 11.177 1.00 0.90 O ATOM 0 H GLY A 103 -1.601 4.757 8.370 1.00 0.38 H new ATOM 0 HA2 GLY A 103 -2.862 6.392 9.539 1.00 0.50 H new ATOM 0 HA3 GLY A 103 -4.060 5.182 9.956 1.00 0.50 H new ATOM 1625 N SER A 104 -2.995 4.618 12.101 1.00 0.67 N ATOM 1626 CA SER A 104 -2.417 4.322 13.396 1.00 0.79 C ATOM 1627 C SER A 104 -3.181 3.202 14.091 1.00 0.79 C ATOM 1628 O SER A 104 -4.171 2.697 13.560 1.00 0.74 O ATOM 1629 CB SER A 104 -2.404 5.580 14.263 1.00 0.99 C ATOM 1630 OG SER A 104 -3.685 6.186 14.290 1.00 1.69 O ATOM 0 H SER A 104 -4.000 4.454 12.041 1.00 0.67 H new ATOM 0 HA SER A 104 -1.391 3.985 13.247 1.00 0.79 H new ATOM 0 HB2 SER A 104 -2.096 5.325 15.277 1.00 0.99 H new ATOM 0 HB3 SER A 104 -1.670 6.287 13.875 1.00 0.99 H new ATOM 0 HG SER A 104 -3.621 7.067 14.715 1.00 1.69 H new ATOM 1636 N SER A 105 -2.712 2.798 15.260 1.00 0.95 N ATOM 1637 CA SER A 105 -3.402 1.787 16.047 1.00 1.05 C ATOM 1638 C SER A 105 -4.807 2.261 16.435 1.00 1.13 C ATOM 1639 O SER A 105 -5.748 1.467 16.497 1.00 1.21 O ATOM 1640 CB SER A 105 -2.592 1.466 17.304 1.00 1.24 C ATOM 1641 OG SER A 105 -1.251 1.138 16.976 1.00 1.56 O ATOM 0 H SER A 105 -1.856 3.154 15.686 1.00 0.95 H new ATOM 0 HA SER A 105 -3.501 0.886 15.441 1.00 1.05 H new ATOM 0 HB2 SER A 105 -2.606 2.322 17.978 1.00 1.24 H new ATOM 0 HB3 SER A 105 -3.054 0.634 17.836 1.00 1.24 H new ATOM 0 HG SER A 105 -0.753 0.938 17.796 1.00 1.56 H new ATOM 1647 N ILE A 106 -4.949 3.565 16.670 1.00 1.17 N ATOM 1648 CA ILE A 106 -6.217 4.124 17.128 1.00 1.29 C ATOM 1649 C ILE A 106 -7.225 4.230 15.987 1.00 1.21 C ATOM 1650 O ILE A 106 -8.433 4.124 16.205 1.00 1.34 O ATOM 1651 CB ILE A 106 -6.035 5.503 17.798 1.00 1.42 C ATOM 1652 CG1 ILE A 106 -5.382 6.496 16.834 1.00 1.33 C ATOM 1653 CG2 ILE A 106 -5.205 5.361 19.067 1.00 1.54 C ATOM 1654 CD1 ILE A 106 -5.208 7.884 17.412 1.00 1.65 C ATOM 0 H ILE A 106 -4.203 4.251 16.551 1.00 1.17 H new ATOM 0 HA ILE A 106 -6.606 3.433 17.876 1.00 1.29 H new ATOM 0 HB ILE A 106 -7.018 5.892 18.064 1.00 1.42 H new ATOM 0 HG12 ILE A 106 -4.406 6.111 16.537 1.00 1.33 H new ATOM 0 HG13 ILE A 106 -5.987 6.562 15.930 1.00 1.33 H new ATOM 0 HG21 ILE A 106 -5.082 6.339 19.533 1.00 1.54 H new ATOM 0 HG22 ILE A 106 -5.712 4.690 19.760 1.00 1.54 H new ATOM 0 HG23 ILE A 106 -4.226 4.952 18.817 1.00 1.54 H new ATOM 0 HD11 ILE A 106 -4.739 8.531 16.670 1.00 1.65 H new ATOM 0 HD12 ILE A 106 -6.183 8.290 17.683 1.00 1.65 H new ATOM 0 HD13 ILE A 106 -4.577 7.832 18.299 1.00 1.65 H new ATOM 1666 N LYS A 107 -6.732 4.437 14.774 1.00 1.03 N ATOM 1667 CA LYS A 107 -7.589 4.432 13.599 1.00 0.98 C ATOM 1668 C LYS A 107 -6.898 3.676 12.476 1.00 0.82 C ATOM 1669 O LYS A 107 -5.948 4.171 11.867 1.00 0.77 O ATOM 1670 CB LYS A 107 -7.926 5.860 13.151 1.00 1.09 C ATOM 1671 CG LYS A 107 -9.414 6.086 12.899 1.00 1.56 C ATOM 1672 CD LYS A 107 -9.969 5.132 11.849 1.00 1.87 C ATOM 1673 CE LYS A 107 -11.482 5.270 11.718 1.00 1.81 C ATOM 1674 NZ LYS A 107 -12.061 4.282 10.767 1.00 2.29 N ATOM 0 H LYS A 107 -5.746 4.610 14.579 1.00 1.03 H new ATOM 0 HA LYS A 107 -8.526 3.936 13.852 1.00 0.98 H new ATOM 0 HB2 LYS A 107 -7.584 6.561 13.913 1.00 1.09 H new ATOM 0 HB3 LYS A 107 -7.373 6.086 12.239 1.00 1.09 H new ATOM 0 HG2 LYS A 107 -9.963 5.957 13.832 1.00 1.56 H new ATOM 0 HG3 LYS A 107 -9.574 7.114 12.575 1.00 1.56 H new ATOM 0 HD2 LYS A 107 -9.499 5.334 10.887 1.00 1.87 H new ATOM 0 HD3 LYS A 107 -9.717 4.106 12.118 1.00 1.87 H new ATOM 0 HE2 LYS A 107 -11.942 5.140 12.698 1.00 1.81 H new ATOM 0 HE3 LYS A 107 -11.725 6.278 11.383 1.00 1.81 H new ATOM 0 HZ1 LYS A 107 -13.091 4.415 10.712 1.00 2.29 H new ATOM 0 HZ2 LYS A 107 -11.643 4.421 9.825 1.00 2.29 H new ATOM 0 HZ3 LYS A 107 -11.854 3.318 11.099 1.00 2.29 H new ATOM 1688 N SER A 108 -7.382 2.479 12.206 1.00 0.80 N ATOM 1689 CA SER A 108 -6.779 1.622 11.203 1.00 0.69 C ATOM 1690 C SER A 108 -7.554 1.694 9.894 1.00 0.60 C ATOM 1691 O SER A 108 -8.647 1.140 9.774 1.00 0.74 O ATOM 1692 CB SER A 108 -6.733 0.187 11.720 1.00 0.78 C ATOM 1693 OG SER A 108 -6.033 0.118 12.951 1.00 1.43 O ATOM 0 H SER A 108 -8.196 2.076 12.670 1.00 0.80 H new ATOM 0 HA SER A 108 -5.763 1.965 11.009 1.00 0.69 H new ATOM 0 HB2 SER A 108 -7.747 -0.190 11.852 1.00 0.78 H new ATOM 0 HB3 SER A 108 -6.248 -0.454 10.984 1.00 0.78 H new ATOM 0 HG SER A 108 -5.468 0.913 13.051 1.00 1.43 H new ATOM 1699 N ILE A 109 -6.988 2.394 8.926 1.00 0.44 N ATOM 1700 CA ILE A 109 -7.599 2.527 7.615 1.00 0.39 C ATOM 1701 C ILE A 109 -7.248 1.312 6.772 1.00 0.35 C ATOM 1702 O ILE A 109 -6.082 0.923 6.701 1.00 0.34 O ATOM 1703 CB ILE A 109 -7.094 3.779 6.875 1.00 0.37 C ATOM 1704 CG1 ILE A 109 -6.900 4.948 7.838 1.00 0.41 C ATOM 1705 CG2 ILE A 109 -8.063 4.167 5.769 1.00 0.40 C ATOM 1706 CD1 ILE A 109 -6.015 6.034 7.270 1.00 0.42 C ATOM 0 H ILE A 109 -6.098 2.883 9.025 1.00 0.44 H new ATOM 0 HA ILE A 109 -8.676 2.612 7.761 1.00 0.39 H new ATOM 0 HB ILE A 109 -6.127 3.540 6.432 1.00 0.37 H new ATOM 0 HG12 ILE A 109 -7.873 5.372 8.088 1.00 0.41 H new ATOM 0 HG13 ILE A 109 -6.464 4.579 8.767 1.00 0.41 H new ATOM 0 HG21 ILE A 109 -7.692 5.054 5.255 1.00 0.40 H new ATOM 0 HG22 ILE A 109 -8.151 3.346 5.058 1.00 0.40 H new ATOM 0 HG23 ILE A 109 -9.041 4.380 6.200 1.00 0.40 H new ATOM 0 HD11 ILE A 109 -5.913 6.838 7.998 1.00 0.42 H new ATOM 0 HD12 ILE A 109 -5.031 5.621 7.045 1.00 0.42 H new ATOM 0 HD13 ILE A 109 -6.461 6.426 6.356 1.00 0.42 H new ATOM 1718 N LEU A 110 -8.242 0.710 6.146 1.00 0.36 N ATOM 1719 CA LEU A 110 -8.000 -0.428 5.281 1.00 0.31 C ATOM 1720 C LEU A 110 -8.336 -0.079 3.840 1.00 0.31 C ATOM 1721 O LEU A 110 -9.482 0.230 3.516 1.00 0.37 O ATOM 1722 CB LEU A 110 -8.819 -1.640 5.727 1.00 0.34 C ATOM 1723 CG LEU A 110 -8.479 -2.186 7.113 1.00 0.43 C ATOM 1724 CD1 LEU A 110 -9.370 -3.369 7.446 1.00 0.65 C ATOM 1725 CD2 LEU A 110 -7.013 -2.587 7.187 1.00 0.83 C ATOM 0 H LEU A 110 -9.220 0.989 6.220 1.00 0.36 H new ATOM 0 HA LEU A 110 -6.942 -0.682 5.349 1.00 0.31 H new ATOM 0 HB2 LEU A 110 -9.875 -1.370 5.710 1.00 0.34 H new ATOM 0 HB3 LEU A 110 -8.683 -2.438 4.997 1.00 0.34 H new ATOM 0 HG LEU A 110 -8.656 -1.399 7.846 1.00 0.43 H new ATOM 0 HD11 LEU A 110 -9.117 -3.748 8.436 1.00 0.65 H new ATOM 0 HD12 LEU A 110 -10.413 -3.053 7.434 1.00 0.65 H new ATOM 0 HD13 LEU A 110 -9.221 -4.156 6.707 1.00 0.65 H new ATOM 0 HD21 LEU A 110 -6.791 -2.973 8.182 1.00 0.83 H new ATOM 0 HD22 LEU A 110 -6.809 -3.358 6.444 1.00 0.83 H new ATOM 0 HD23 LEU A 110 -6.387 -1.717 6.988 1.00 0.83 H new ATOM 1737 N LEU A 111 -7.323 -0.108 2.991 1.00 0.28 N ATOM 1738 CA LEU A 111 -7.510 0.133 1.557 1.00 0.30 C ATOM 1739 C LEU A 111 -6.471 -0.632 0.743 1.00 0.30 C ATOM 1740 O LEU A 111 -5.378 -0.861 1.212 1.00 0.61 O ATOM 1741 CB LEU A 111 -7.468 1.642 1.244 1.00 0.52 C ATOM 1742 CG LEU A 111 -6.570 2.510 2.140 1.00 0.40 C ATOM 1743 CD1 LEU A 111 -5.112 2.452 1.705 1.00 0.48 C ATOM 1744 CD2 LEU A 111 -7.062 3.950 2.140 1.00 0.62 C ATOM 0 H LEU A 111 -6.358 -0.296 3.263 1.00 0.28 H new ATOM 0 HA LEU A 111 -8.495 -0.236 1.272 1.00 0.30 H new ATOM 0 HB2 LEU A 111 -7.140 1.766 0.212 1.00 0.52 H new ATOM 0 HB3 LEU A 111 -8.485 2.030 1.304 1.00 0.52 H new ATOM 0 HG LEU A 111 -6.628 2.110 3.152 1.00 0.40 H new ATOM 0 HD11 LEU A 111 -4.511 3.079 2.364 1.00 0.48 H new ATOM 0 HD12 LEU A 111 -4.757 1.423 1.759 1.00 0.48 H new ATOM 0 HD13 LEU A 111 -5.023 2.813 0.680 1.00 0.48 H new ATOM 0 HD21 LEU A 111 -6.418 4.555 2.778 1.00 0.62 H new ATOM 0 HD22 LEU A 111 -7.038 4.343 1.124 1.00 0.62 H new ATOM 0 HD23 LEU A 111 -8.084 3.985 2.518 1.00 0.62 H new ATOM 1756 N PRO A 112 -6.812 -1.072 -0.481 1.00 0.34 N ATOM 1757 CA PRO A 112 -5.889 -1.847 -1.325 1.00 0.33 C ATOM 1758 C PRO A 112 -4.731 -0.991 -1.838 1.00 0.32 C ATOM 1759 O PRO A 112 -4.919 0.168 -2.216 1.00 0.33 O ATOM 1760 CB PRO A 112 -6.773 -2.310 -2.485 1.00 0.35 C ATOM 1761 CG PRO A 112 -7.869 -1.301 -2.558 1.00 0.81 C ATOM 1762 CD PRO A 112 -8.104 -0.832 -1.148 1.00 0.64 C ATOM 0 HA PRO A 112 -5.421 -2.667 -0.781 1.00 0.33 H new ATOM 0 HB2 PRO A 112 -6.211 -2.351 -3.418 1.00 0.35 H new ATOM 0 HB3 PRO A 112 -7.168 -3.310 -2.306 1.00 0.35 H new ATOM 0 HG2 PRO A 112 -7.589 -0.468 -3.203 1.00 0.81 H new ATOM 0 HG3 PRO A 112 -8.774 -1.739 -2.978 1.00 0.81 H new ATOM 0 HD2 PRO A 112 -8.381 0.222 -1.117 1.00 0.64 H new ATOM 0 HD3 PRO A 112 -8.911 -1.388 -0.670 1.00 0.64 H new ATOM 1770 N ILE A 113 -3.538 -1.584 -1.869 1.00 0.33 N ATOM 1771 CA ILE A 113 -2.314 -0.875 -2.244 1.00 0.29 C ATOM 1772 C ILE A 113 -2.323 -0.462 -3.729 1.00 0.30 C ATOM 1773 O ILE A 113 -1.483 0.321 -4.171 1.00 0.28 O ATOM 1774 CB ILE A 113 -1.062 -1.738 -1.926 1.00 0.30 C ATOM 1775 CG1 ILE A 113 0.223 -0.951 -2.182 1.00 0.26 C ATOM 1776 CG2 ILE A 113 -1.071 -3.036 -2.724 1.00 0.33 C ATOM 1777 CD1 ILE A 113 0.487 0.121 -1.145 1.00 0.25 C ATOM 0 H ILE A 113 -3.392 -2.566 -1.636 1.00 0.33 H new ATOM 0 HA ILE A 113 -2.271 0.038 -1.650 1.00 0.29 H new ATOM 0 HB ILE A 113 -1.096 -1.996 -0.868 1.00 0.30 H new ATOM 0 HG12 ILE A 113 1.066 -1.642 -2.203 1.00 0.26 H new ATOM 0 HG13 ILE A 113 0.167 -0.488 -3.167 1.00 0.26 H new ATOM 0 HG21 ILE A 113 -0.183 -3.619 -2.481 1.00 0.33 H new ATOM 0 HG22 ILE A 113 -1.962 -3.611 -2.473 1.00 0.33 H new ATOM 0 HG23 ILE A 113 -1.074 -2.808 -3.790 1.00 0.33 H new ATOM 0 HD11 ILE A 113 1.414 0.641 -1.387 1.00 0.25 H new ATOM 0 HD12 ILE A 113 -0.338 0.833 -1.140 1.00 0.25 H new ATOM 0 HD13 ILE A 113 0.575 -0.339 -0.161 1.00 0.25 H new ATOM 1789 N GLU A 114 -3.291 -0.982 -4.485 1.00 0.36 N ATOM 1790 CA GLU A 114 -3.461 -0.635 -5.901 1.00 0.42 C ATOM 1791 C GLU A 114 -3.549 0.881 -6.094 1.00 0.33 C ATOM 1792 O GLU A 114 -2.961 1.439 -7.016 1.00 0.41 O ATOM 1793 CB GLU A 114 -4.727 -1.313 -6.452 1.00 0.57 C ATOM 1794 CG GLU A 114 -5.239 -0.737 -7.767 1.00 0.72 C ATOM 1795 CD GLU A 114 -4.286 -0.942 -8.927 1.00 1.47 C ATOM 1796 OE1 GLU A 114 -4.002 -2.102 -9.262 1.00 1.87 O ATOM 1797 OE2 GLU A 114 -3.849 0.061 -9.534 1.00 1.90 O ATOM 0 H GLU A 114 -3.977 -1.652 -4.138 1.00 0.36 H new ATOM 0 HA GLU A 114 -2.589 -0.992 -6.449 1.00 0.42 H new ATOM 0 HB2 GLU A 114 -4.522 -2.374 -6.592 1.00 0.57 H new ATOM 0 HB3 GLU A 114 -5.518 -1.236 -5.706 1.00 0.57 H new ATOM 0 HG2 GLU A 114 -6.197 -1.198 -8.008 1.00 0.72 H new ATOM 0 HG3 GLU A 114 -5.421 0.330 -7.641 1.00 0.72 H new ATOM 1804 N LEU A 115 -4.247 1.544 -5.189 1.00 0.24 N ATOM 1805 CA LEU A 115 -4.534 2.963 -5.349 1.00 0.24 C ATOM 1806 C LEU A 115 -3.553 3.819 -4.558 1.00 0.21 C ATOM 1807 O LEU A 115 -3.797 5.000 -4.310 1.00 0.29 O ATOM 1808 CB LEU A 115 -5.972 3.257 -4.922 1.00 0.30 C ATOM 1809 CG LEU A 115 -7.045 2.599 -5.789 1.00 0.39 C ATOM 1810 CD1 LEU A 115 -8.427 2.887 -5.235 1.00 0.93 C ATOM 1811 CD2 LEU A 115 -6.940 3.081 -7.228 1.00 1.03 C ATOM 0 H LEU A 115 -4.625 1.127 -4.338 1.00 0.24 H new ATOM 0 HA LEU A 115 -4.418 3.218 -6.402 1.00 0.24 H new ATOM 0 HB2 LEU A 115 -6.105 2.927 -3.892 1.00 0.30 H new ATOM 0 HB3 LEU A 115 -6.126 4.336 -4.934 1.00 0.30 H new ATOM 0 HG LEU A 115 -6.884 1.521 -5.774 1.00 0.39 H new ATOM 0 HD11 LEU A 115 -9.178 2.411 -5.865 1.00 0.93 H new ATOM 0 HD12 LEU A 115 -8.502 2.494 -4.221 1.00 0.93 H new ATOM 0 HD13 LEU A 115 -8.596 3.964 -5.220 1.00 0.93 H new ATOM 0 HD21 LEU A 115 -7.712 2.601 -7.830 1.00 1.03 H new ATOM 0 HD22 LEU A 115 -7.074 4.162 -7.260 1.00 1.03 H new ATOM 0 HD23 LEU A 115 -5.958 2.825 -7.627 1.00 1.03 H new ATOM 1823 N CYS A 116 -2.437 3.220 -4.182 1.00 0.24 N ATOM 1824 CA CYS A 116 -1.414 3.921 -3.432 1.00 0.23 C ATOM 1825 C CYS A 116 -0.142 4.017 -4.256 1.00 0.22 C ATOM 1826 O CYS A 116 0.208 3.097 -4.995 1.00 0.25 O ATOM 1827 CB CYS A 116 -1.134 3.200 -2.115 1.00 0.25 C ATOM 1828 SG CYS A 116 -2.612 2.881 -1.127 1.00 0.37 S ATOM 0 H CYS A 116 -2.217 2.245 -4.386 1.00 0.24 H new ATOM 0 HA CYS A 116 -1.769 4.927 -3.209 1.00 0.23 H new ATOM 0 HB2 CYS A 116 -0.640 2.252 -2.329 1.00 0.25 H new ATOM 0 HB3 CYS A 116 -0.437 3.797 -1.526 1.00 0.25 H new ATOM 0 HG CYS A 116 -2.414 3.285 0.093 1.00 0.37 H new ATOM 1834 N SER A 117 0.529 5.143 -4.155 1.00 0.24 N ATOM 1835 CA SER A 117 1.788 5.338 -4.837 1.00 0.24 C ATOM 1836 C SER A 117 2.886 5.619 -3.821 1.00 0.24 C ATOM 1837 O SER A 117 2.646 6.230 -2.786 1.00 0.25 O ATOM 1838 CB SER A 117 1.663 6.491 -5.833 1.00 0.29 C ATOM 1839 OG SER A 117 0.488 6.351 -6.616 1.00 0.63 O ATOM 0 H SER A 117 0.220 5.943 -3.602 1.00 0.24 H new ATOM 0 HA SER A 117 2.049 4.433 -5.386 1.00 0.24 H new ATOM 0 HB2 SER A 117 1.638 7.440 -5.297 1.00 0.29 H new ATOM 0 HB3 SER A 117 2.538 6.514 -6.482 1.00 0.29 H new ATOM 0 HG SER A 117 0.424 7.099 -7.246 1.00 0.63 H new ATOM 1845 N ILE A 118 4.075 5.145 -4.109 1.00 0.26 N ATOM 1846 CA ILE A 118 5.215 5.351 -3.244 1.00 0.28 C ATOM 1847 C ILE A 118 6.065 6.509 -3.777 1.00 0.34 C ATOM 1848 O ILE A 118 6.285 6.624 -4.984 1.00 0.36 O ATOM 1849 CB ILE A 118 6.055 4.051 -3.141 1.00 0.29 C ATOM 1850 CG1 ILE A 118 7.206 4.223 -2.163 1.00 0.29 C ATOM 1851 CG2 ILE A 118 6.589 3.635 -4.505 1.00 0.39 C ATOM 1852 CD1 ILE A 118 7.896 2.928 -1.793 1.00 0.31 C ATOM 0 H ILE A 118 4.281 4.605 -4.950 1.00 0.26 H new ATOM 0 HA ILE A 118 4.865 5.607 -2.244 1.00 0.28 H new ATOM 0 HB ILE A 118 5.398 3.264 -2.771 1.00 0.29 H new ATOM 0 HG12 ILE A 118 7.939 4.903 -2.596 1.00 0.29 H new ATOM 0 HG13 ILE A 118 6.831 4.695 -1.255 1.00 0.29 H new ATOM 0 HG21 ILE A 118 7.174 2.721 -4.403 1.00 0.39 H new ATOM 0 HG22 ILE A 118 5.755 3.458 -5.184 1.00 0.39 H new ATOM 0 HG23 ILE A 118 7.221 4.428 -4.906 1.00 0.39 H new ATOM 0 HD11 ILE A 118 8.705 3.134 -1.092 1.00 0.31 H new ATOM 0 HD12 ILE A 118 7.177 2.253 -1.329 1.00 0.31 H new ATOM 0 HD13 ILE A 118 8.303 2.463 -2.691 1.00 0.31 H new ATOM 1864 N GLU A 119 6.508 7.386 -2.887 1.00 0.41 N ATOM 1865 CA GLU A 119 7.315 8.533 -3.287 1.00 0.50 C ATOM 1866 C GLU A 119 8.702 8.082 -3.730 1.00 0.55 C ATOM 1867 O GLU A 119 9.469 7.531 -2.938 1.00 0.56 O ATOM 1868 CB GLU A 119 7.430 9.532 -2.136 1.00 0.60 C ATOM 1869 CG GLU A 119 6.144 10.288 -1.851 1.00 1.23 C ATOM 1870 CD GLU A 119 5.809 11.305 -2.926 1.00 1.69 C ATOM 1871 OE1 GLU A 119 6.454 12.376 -2.956 1.00 2.02 O ATOM 1872 OE2 GLU A 119 4.893 11.056 -3.728 1.00 2.46 O ATOM 0 H GLU A 119 6.324 7.327 -1.886 1.00 0.41 H new ATOM 0 HA GLU A 119 6.822 9.022 -4.127 1.00 0.50 H new ATOM 0 HB2 GLU A 119 7.736 9.000 -1.235 1.00 0.60 H new ATOM 0 HB3 GLU A 119 8.219 10.248 -2.366 1.00 0.60 H new ATOM 0 HG2 GLU A 119 5.322 9.577 -1.761 1.00 1.23 H new ATOM 0 HG3 GLU A 119 6.232 10.797 -0.891 1.00 1.23 H new ATOM 1879 N GLU A 120 9.018 8.331 -5.000 1.00 0.68 N ATOM 1880 CA GLU A 120 10.284 7.905 -5.583 1.00 0.84 C ATOM 1881 C GLU A 120 11.465 8.592 -4.901 1.00 0.98 C ATOM 1882 O GLU A 120 12.580 8.081 -4.908 1.00 1.08 O ATOM 1883 CB GLU A 120 10.308 8.184 -7.092 1.00 1.10 C ATOM 1884 CG GLU A 120 10.190 9.656 -7.447 1.00 1.26 C ATOM 1885 CD GLU A 120 10.184 9.904 -8.942 1.00 2.16 C ATOM 1886 OE1 GLU A 120 9.103 9.825 -9.557 1.00 2.92 O ATOM 1887 OE2 GLU A 120 11.259 10.189 -9.508 1.00 2.36 O ATOM 0 H GLU A 120 8.407 8.830 -5.647 1.00 0.68 H new ATOM 0 HA GLU A 120 10.377 6.831 -5.424 1.00 0.84 H new ATOM 0 HB2 GLU A 120 11.236 7.793 -7.509 1.00 1.10 H new ATOM 0 HB3 GLU A 120 9.491 7.639 -7.565 1.00 1.10 H new ATOM 0 HG2 GLU A 120 9.274 10.057 -7.014 1.00 1.26 H new ATOM 0 HG3 GLU A 120 11.020 10.201 -6.997 1.00 1.26 H new TER 1894 GLU A 120