USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 934 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 78 MET CE :methyl 158:sc= -0.461 (180deg=-0.898) USER MOD Set 1.2: A 88 GLN : amide:sc= -1.44 X(o=-1.9,f=-1.7) USER MOD Set 2.1: A 16 MET CE :methyl 131:sc= -0.24 (180deg=-1.15) USER MOD Set 2.2: A 34 TYR OH : rot 40:sc= 0.317 USER MOD Set 3.1: A 9 SER OG : rot 117:sc= 1.33 USER MOD Set 3.2: A 53 ASN : amide:sc= 1.06 K(o=3.6,f=0.39) USER MOD Set 3.3: A 57 THR OG1 : rot 150:sc= 1.19 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 11 ASN : amide:sc= -0.014 X(o=-0.014,f=0) USER MOD Single : A 14 LYS NZ :NH3+ -166:sc= -0.0303 (180deg=-0.227) USER MOD Single : A 18 GLN : amide:sc= -0.768 X(o=-0.77,f=-0.31) USER MOD Single : A 20 LYS NZ :NH3+ -137:sc= 0.821 (180deg=0.329) USER MOD Single : A 24 SER OG : rot -58:sc= 0.147 USER MOD Single : A 28 SER OG : rot 180:sc= 0.00734 USER MOD Single : A 35 ASN : amide:sc= 0.0175 K(o=0.017,f=-0.98) USER MOD Single : A 38 LYS NZ :NH3+ 166:sc= -0.0478 (180deg=-0.396) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -134:sc= -0.275 (180deg=-1.12) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0213 USER MOD Single : A 58 LYS NZ :NH3+ -113:sc= -0.423 (180deg=-1.07!) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.698 F(o=-2.2!,f=-0.7) USER MOD Single : A 69 HIS : no HE2:sc= -1.24! C(o=-1.2!,f=-2.6!) USER MOD Single : A 70 HIS : no HD1:sc=-0.00769 X(o=-0.0077,f=-0.017) USER MOD Single : A 72 ASN : amide:sc= 0.864 K(o=0.86,f=-0.02) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -129:sc= 0.729 (180deg=-0.124) USER MOD Single : A 80 HIS : no HD1:sc= -3.38! C(o=-3.4!,f=-3.3!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -144:sc= 0 (180deg=-0.963) USER MOD Single : A 89 GLN : amide:sc= -0.313 K(o=-0.31,f=-4.4!) USER MOD Single : A 95 HIS : no HD1:sc= -0.336 X(o=-0.34,f=0) USER MOD Single : A 99 LYS NZ :NH3+ -161:sc= -0.0846 (180deg=-0.421) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 107 LYS NZ :NH3+ 142:sc= 1.13 (180deg=0.306) USER MOD Single : A 109 MET CE :methyl -128:sc= -0.0583 (180deg=-0.413) USER MOD Single : A 110 LYS NZ :NH3+ 151:sc= -0.176 (180deg=-0.826) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl -138:sc= -0.112 (180deg=-1.61) USER MOD Single : A 119 LYS NZ :NH3+ -152:sc= 0.744 (180deg=-0.245!) USER MOD Single : A 120 LYS NZ :NH3+ -113:sc= 1.38 (180deg=-0.234) USER MOD Single : A 123 HIS :FLIP no HD1:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 124 LYS NZ :NH3+ 160:sc= 1.25 (180deg=1.08) USER MOD ----------------------------------------------------------------- ATOM 14 N PRO A 2 -7.998 -15.091 -0.038 1.00 0.00 N ATOM 15 CA PRO A 2 -8.514 -13.726 -0.146 1.00 0.00 C ATOM 16 C PRO A 2 -8.141 -12.861 1.061 1.00 0.00 C ATOM 17 O PRO A 2 -8.481 -11.677 1.115 1.00 0.00 O ATOM 18 CB PRO A 2 -10.025 -13.940 -0.209 1.00 0.00 C ATOM 19 CG PRO A 2 -10.269 -15.177 0.588 1.00 0.00 C ATOM 20 CD PRO A 2 -9.021 -16.022 0.480 1.00 0.00 C ATOM 0 HA PRO A 2 -8.103 -13.195 -1.004 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -10.563 -13.088 0.208 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -10.365 -14.059 -1.238 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -10.480 -14.931 1.629 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -11.135 -15.717 0.207 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.733 -16.432 1.448 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -9.169 -16.866 -0.193 1.00 0.00 H new ATOM 28 N GLU A 3 -7.437 -13.467 2.017 1.00 0.00 N ATOM 29 CA GLU A 3 -7.020 -12.787 3.247 1.00 0.00 C ATOM 30 C GLU A 3 -6.319 -11.465 2.953 1.00 0.00 C ATOM 31 O GLU A 3 -6.874 -10.395 3.196 1.00 0.00 O ATOM 32 CB GLU A 3 -6.080 -13.677 4.074 1.00 0.00 C ATOM 33 CG GLU A 3 -6.762 -14.839 4.781 1.00 0.00 C ATOM 34 CD GLU A 3 -7.404 -15.824 3.829 1.00 0.00 C ATOM 35 OE1 GLU A 3 -6.806 -16.119 2.777 1.00 0.00 O ATOM 36 OE2 GLU A 3 -8.509 -16.313 4.134 1.00 0.00 O ATOM 0 H GLU A 3 -7.139 -14.441 1.963 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.927 -12.584 3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.306 -14.073 3.417 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.580 -13.059 4.820 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -6.029 -15.362 5.395 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.523 -14.448 5.457 1.00 0.00 H new ATOM 43 N ILE A 4 -5.107 -11.535 2.410 1.00 0.00 N ATOM 44 CA ILE A 4 -4.353 -10.337 2.105 1.00 0.00 C ATOM 45 C ILE A 4 -4.841 -9.692 0.804 1.00 0.00 C ATOM 46 O ILE A 4 -4.452 -8.576 0.462 1.00 0.00 O ATOM 47 CB ILE A 4 -2.839 -10.642 2.028 1.00 0.00 C ATOM 48 CG1 ILE A 4 -2.019 -9.374 2.277 1.00 0.00 C ATOM 49 CG2 ILE A 4 -2.476 -11.260 0.684 1.00 0.00 C ATOM 50 CD1 ILE A 4 -2.388 -8.652 3.558 1.00 0.00 C ATOM 0 H ILE A 4 -4.633 -12.407 2.175 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.518 -9.627 2.915 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.600 -11.364 2.808 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.962 -9.636 2.310 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.153 -8.694 1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.406 -11.465 0.655 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -3.028 -12.191 0.551 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.734 -10.567 -0.117 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.766 -7.764 3.667 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.437 -8.358 3.521 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.227 -9.315 4.408 1.00 0.00 H new ATOM 62 N MET A 5 -5.700 -10.407 0.086 1.00 0.00 N ATOM 63 CA MET A 5 -6.219 -9.940 -1.190 1.00 0.00 C ATOM 64 C MET A 5 -7.198 -8.789 -0.975 1.00 0.00 C ATOM 65 O MET A 5 -7.339 -7.909 -1.826 1.00 0.00 O ATOM 66 CB MET A 5 -6.902 -11.097 -1.915 1.00 0.00 C ATOM 67 CG MET A 5 -7.230 -10.808 -3.371 1.00 0.00 C ATOM 68 SD MET A 5 -7.917 -12.242 -4.222 1.00 0.00 S ATOM 69 CE MET A 5 -8.261 -11.543 -5.834 1.00 0.00 C ATOM 0 H MET A 5 -6.053 -11.320 0.371 1.00 0.00 H new ATOM 0 HA MET A 5 -5.394 -9.574 -1.802 1.00 0.00 H new ATOM 0 HB2 MET A 5 -6.257 -11.974 -1.866 1.00 0.00 H new ATOM 0 HB3 MET A 5 -7.823 -11.349 -1.389 1.00 0.00 H new ATOM 0 HG2 MET A 5 -7.941 -9.984 -3.423 1.00 0.00 H new ATOM 0 HG3 MET A 5 -6.326 -10.482 -3.886 1.00 0.00 H new ATOM 0 HE1 MET A 5 -8.692 -12.309 -6.478 1.00 0.00 H new ATOM 0 HE2 MET A 5 -8.966 -10.718 -5.730 1.00 0.00 H new ATOM 0 HE3 MET A 5 -7.335 -11.175 -6.276 1.00 0.00 H new ATOM 79 N LYS A 6 -7.875 -8.805 0.166 1.00 0.00 N ATOM 80 CA LYS A 6 -8.775 -7.724 0.531 1.00 0.00 C ATOM 81 C LYS A 6 -8.007 -6.649 1.298 1.00 0.00 C ATOM 82 O LYS A 6 -7.679 -6.823 2.473 1.00 0.00 O ATOM 83 CB LYS A 6 -9.931 -8.255 1.386 1.00 0.00 C ATOM 84 CG LYS A 6 -11.020 -7.226 1.675 1.00 0.00 C ATOM 85 CD LYS A 6 -12.101 -7.207 0.597 1.00 0.00 C ATOM 86 CE LYS A 6 -11.575 -6.729 -0.750 1.00 0.00 C ATOM 87 NZ LYS A 6 -12.607 -6.831 -1.816 1.00 0.00 N ATOM 0 H LYS A 6 -7.816 -9.556 0.854 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.189 -7.289 -0.379 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.380 -9.110 0.880 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.531 -8.619 2.332 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.477 -7.445 2.640 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.570 -6.236 1.752 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.516 -8.209 0.486 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.916 -6.557 0.916 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.243 -5.694 -0.664 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.704 -7.321 -1.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.210 -6.496 -2.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.906 -7.822 -1.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.428 -6.246 -1.561 1.00 0.00 H new ATOM 101 N ASN A 7 -7.708 -5.547 0.628 1.00 0.00 N ATOM 102 CA ASN A 7 -6.940 -4.471 1.241 1.00 0.00 C ATOM 103 C ASN A 7 -7.871 -3.554 2.021 1.00 0.00 C ATOM 104 O ASN A 7 -8.863 -3.070 1.480 1.00 0.00 O ATOM 105 CB ASN A 7 -6.191 -3.660 0.176 1.00 0.00 C ATOM 106 CG ASN A 7 -5.493 -4.531 -0.852 1.00 0.00 C ATOM 107 OD1 ASN A 7 -6.066 -4.856 -1.891 1.00 0.00 O ATOM 108 ND2 ASN A 7 -4.257 -4.910 -0.576 1.00 0.00 N ATOM 0 H ASN A 7 -7.984 -5.373 -0.338 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.209 -4.913 1.918 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.895 -3.001 -0.332 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.454 -3.023 0.665 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.743 -5.493 -1.236 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.817 -4.619 0.297 1.00 0.00 H new ATOM 115 N LEU A 8 -7.548 -3.309 3.288 1.00 0.00 N ATOM 116 CA LEU A 8 -8.413 -2.511 4.155 1.00 0.00 C ATOM 117 C LEU A 8 -8.618 -1.099 3.619 1.00 0.00 C ATOM 118 O LEU A 8 -9.750 -0.660 3.450 1.00 0.00 O ATOM 119 CB LEU A 8 -7.864 -2.440 5.583 1.00 0.00 C ATOM 120 CG LEU A 8 -8.117 -3.679 6.443 1.00 0.00 C ATOM 121 CD1 LEU A 8 -7.156 -4.804 6.090 1.00 0.00 C ATOM 122 CD2 LEU A 8 -8.014 -3.319 7.913 1.00 0.00 C ATOM 0 H LEU A 8 -6.698 -3.649 3.737 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.379 -3.016 4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.789 -2.266 5.533 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.304 -1.576 6.081 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.126 -4.038 6.239 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.362 -5.670 6.719 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.285 -5.077 5.043 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.131 -4.472 6.255 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.196 -4.207 8.519 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.017 -2.933 8.124 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.756 -2.558 8.154 1.00 0.00 H new ATOM 134 N SER A 9 -7.527 -0.395 3.332 1.00 0.00 N ATOM 135 CA SER A 9 -7.623 0.980 2.846 1.00 0.00 C ATOM 136 C SER A 9 -8.310 1.044 1.481 1.00 0.00 C ATOM 137 O SER A 9 -8.927 2.054 1.138 1.00 0.00 O ATOM 138 CB SER A 9 -6.235 1.621 2.783 1.00 0.00 C ATOM 139 OG SER A 9 -5.689 1.770 4.085 1.00 0.00 O ATOM 0 H SER A 9 -6.575 -0.748 3.426 1.00 0.00 H new ATOM 0 HA SER A 9 -8.236 1.542 3.550 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.573 1.006 2.174 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.301 2.595 2.298 1.00 0.00 H new ATOM 0 HG SER A 9 -4.872 1.233 4.161 1.00 0.00 H new ATOM 145 N ASN A 10 -8.209 -0.042 0.721 1.00 0.00 N ATOM 146 CA ASN A 10 -8.856 -0.133 -0.585 1.00 0.00 C ATOM 147 C ASN A 10 -10.359 -0.363 -0.423 1.00 0.00 C ATOM 148 O ASN A 10 -11.163 0.124 -1.219 1.00 0.00 O ATOM 149 CB ASN A 10 -8.226 -1.263 -1.406 1.00 0.00 C ATOM 150 CG ASN A 10 -8.839 -1.412 -2.787 1.00 0.00 C ATOM 151 OD1 ASN A 10 -9.791 -2.169 -2.979 1.00 0.00 O ATOM 152 ND2 ASN A 10 -8.293 -0.697 -3.760 1.00 0.00 N ATOM 0 H ASN A 10 -7.683 -0.875 0.988 1.00 0.00 H new ATOM 0 HA ASN A 10 -8.709 0.808 -1.115 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.157 -1.077 -1.508 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.335 -2.202 -0.864 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -8.661 -0.763 -4.709 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -7.505 -0.081 -3.560 1.00 0.00 H new ATOM 159 N ASN A 11 -10.726 -1.106 0.616 1.00 0.00 N ATOM 160 CA ASN A 11 -12.130 -1.366 0.919 1.00 0.00 C ATOM 161 C ASN A 11 -12.772 -0.120 1.518 1.00 0.00 C ATOM 162 O ASN A 11 -13.791 0.360 1.026 1.00 0.00 O ATOM 163 CB ASN A 11 -12.255 -2.545 1.894 1.00 0.00 C ATOM 164 CG ASN A 11 -13.690 -3.000 2.094 1.00 0.00 C ATOM 165 OD1 ASN A 11 -14.182 -3.870 1.377 1.00 0.00 O ATOM 166 ND2 ASN A 11 -14.372 -2.427 3.078 1.00 0.00 N ATOM 0 H ASN A 11 -10.069 -1.540 1.264 1.00 0.00 H new ATOM 0 HA ASN A 11 -12.647 -1.622 -0.005 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.663 -3.381 1.522 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.833 -2.259 2.857 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -15.336 -2.705 3.259 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -13.932 -1.709 3.653 1.00 0.00 H new ATOM 173 N PHE A 12 -12.172 0.381 2.598 1.00 0.00 N ATOM 174 CA PHE A 12 -12.598 1.640 3.217 1.00 0.00 C ATOM 175 C PHE A 12 -12.731 2.786 2.200 1.00 0.00 C ATOM 176 O PHE A 12 -13.848 3.169 1.859 1.00 0.00 O ATOM 177 CB PHE A 12 -11.643 2.048 4.344 1.00 0.00 C ATOM 178 CG PHE A 12 -11.863 1.293 5.627 1.00 0.00 C ATOM 179 CD1 PHE A 12 -12.899 1.640 6.477 1.00 0.00 C ATOM 180 CD2 PHE A 12 -11.037 0.241 5.985 1.00 0.00 C ATOM 181 CE1 PHE A 12 -13.108 0.952 7.658 1.00 0.00 C ATOM 182 CE2 PHE A 12 -11.238 -0.451 7.163 1.00 0.00 C ATOM 183 CZ PHE A 12 -12.275 -0.095 8.003 1.00 0.00 C ATOM 0 H PHE A 12 -11.385 -0.068 3.066 1.00 0.00 H new ATOM 0 HA PHE A 12 -13.588 1.457 3.634 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.616 1.892 4.013 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -11.757 3.115 4.536 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -13.553 2.459 6.214 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.224 -0.042 5.333 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -13.922 1.233 8.310 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.585 -1.270 7.427 1.00 0.00 H new ATOM 0 HZ PHE A 12 -12.434 -0.633 8.926 1.00 0.00 H new ATOM 193 N GLY A 13 -11.607 3.335 1.717 1.00 0.00 N ATOM 194 CA GLY A 13 -11.666 4.475 0.817 1.00 0.00 C ATOM 195 C GLY A 13 -12.455 5.645 1.388 1.00 0.00 C ATOM 196 O GLY A 13 -13.285 6.229 0.691 1.00 0.00 O ATOM 0 H GLY A 13 -10.666 3.009 1.935 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.652 4.804 0.590 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -12.118 4.164 -0.125 1.00 0.00 H new ATOM 200 N LYS A 14 -12.206 5.976 2.657 1.00 0.00 N ATOM 201 CA LYS A 14 -12.889 7.086 3.316 1.00 0.00 C ATOM 202 C LYS A 14 -12.671 8.390 2.556 1.00 0.00 C ATOM 203 O LYS A 14 -13.624 9.019 2.096 1.00 0.00 O ATOM 204 CB LYS A 14 -12.385 7.242 4.752 1.00 0.00 C ATOM 205 CG LYS A 14 -12.667 6.040 5.637 1.00 0.00 C ATOM 206 CD LYS A 14 -12.089 6.234 7.028 1.00 0.00 C ATOM 207 CE LYS A 14 -12.456 5.087 7.959 1.00 0.00 C ATOM 208 NZ LYS A 14 -13.922 5.001 8.195 1.00 0.00 N ATOM 0 H LYS A 14 -11.534 5.488 3.249 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.956 6.862 3.328 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.310 7.422 4.732 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.848 8.124 5.195 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.743 5.881 5.707 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.241 5.144 5.185 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.004 6.316 6.962 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.455 7.172 7.446 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.103 4.148 7.533 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.943 5.217 8.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.107 4.374 9.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.297 5.949 8.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.388 4.620 7.347 1.00 0.00 H new ATOM 222 N ALA A 15 -11.416 8.789 2.429 1.00 0.00 N ATOM 223 CA ALA A 15 -11.071 10.002 1.711 1.00 0.00 C ATOM 224 C ALA A 15 -9.687 9.880 1.091 1.00 0.00 C ATOM 225 O ALA A 15 -8.677 10.149 1.741 1.00 0.00 O ATOM 226 CB ALA A 15 -11.139 11.214 2.631 1.00 0.00 C ATOM 0 H ALA A 15 -10.617 8.287 2.816 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.797 10.141 0.910 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.876 12.111 2.071 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -12.150 11.315 3.025 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -10.439 11.084 3.456 1.00 0.00 H new ATOM 232 N MET A 16 -9.649 9.458 -0.162 1.00 0.00 N ATOM 233 CA MET A 16 -8.394 9.317 -0.882 1.00 0.00 C ATOM 234 C MET A 16 -7.871 10.696 -1.255 1.00 0.00 C ATOM 235 O MET A 16 -6.664 10.927 -1.316 1.00 0.00 O ATOM 236 CB MET A 16 -8.589 8.484 -2.151 1.00 0.00 C ATOM 237 CG MET A 16 -7.296 8.212 -2.905 1.00 0.00 C ATOM 238 SD MET A 16 -7.572 7.875 -4.653 1.00 0.00 S ATOM 239 CE MET A 16 -8.211 9.462 -5.186 1.00 0.00 C ATOM 0 H MET A 16 -10.476 9.206 -0.703 1.00 0.00 H new ATOM 0 HA MET A 16 -7.676 8.807 -0.239 1.00 0.00 H new ATOM 0 HB2 MET A 16 -9.051 7.534 -1.884 1.00 0.00 H new ATOM 0 HB3 MET A 16 -9.284 9.002 -2.812 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.633 9.072 -2.805 1.00 0.00 H new ATOM 0 HG3 MET A 16 -6.787 7.362 -2.451 1.00 0.00 H new ATOM 0 HE1 MET A 16 -7.681 9.785 -6.082 1.00 0.00 H new ATOM 0 HE2 MET A 16 -9.275 9.371 -5.406 1.00 0.00 H new ATOM 0 HE3 MET A 16 -8.066 10.197 -4.394 1.00 0.00 H new ATOM 249 N ASP A 17 -8.810 11.608 -1.475 1.00 0.00 N ATOM 250 CA ASP A 17 -8.514 12.973 -1.899 1.00 0.00 C ATOM 251 C ASP A 17 -7.578 13.686 -0.934 1.00 0.00 C ATOM 252 O ASP A 17 -6.769 14.525 -1.344 1.00 0.00 O ATOM 253 CB ASP A 17 -9.814 13.767 -2.041 1.00 0.00 C ATOM 254 CG ASP A 17 -10.684 13.265 -3.178 1.00 0.00 C ATOM 255 OD1 ASP A 17 -11.358 12.228 -3.006 1.00 0.00 O ATOM 256 OD2 ASP A 17 -10.693 13.906 -4.251 1.00 0.00 O ATOM 0 H ASP A 17 -9.806 11.421 -1.364 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.007 12.912 -2.862 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.374 13.710 -1.108 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.577 14.818 -2.207 1.00 0.00 H new ATOM 261 N GLN A 18 -7.643 13.336 0.340 1.00 0.00 N ATOM 262 CA GLN A 18 -6.845 14.050 1.326 1.00 0.00 C ATOM 263 C GLN A 18 -5.459 13.427 1.464 1.00 0.00 C ATOM 264 O GLN A 18 -4.500 14.115 1.809 1.00 0.00 O ATOM 265 CB GLN A 18 -7.570 14.129 2.671 1.00 0.00 C ATOM 266 CG GLN A 18 -8.356 15.428 2.864 1.00 0.00 C ATOM 267 CD GLN A 18 -7.459 16.647 2.958 1.00 0.00 C ATOM 268 OE1 GLN A 18 -7.010 17.019 4.044 1.00 0.00 O ATOM 269 NE2 GLN A 18 -7.207 17.290 1.827 1.00 0.00 N ATOM 0 H GLN A 18 -8.223 12.583 0.710 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.708 15.072 0.973 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.253 13.284 2.757 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.840 14.032 3.475 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -9.049 15.555 2.032 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.956 15.353 3.771 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -7.598 16.949 0.949 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.622 18.126 1.835 1.00 0.00 H new ATOM 278 N CYS A 19 -5.339 12.140 1.161 1.00 0.00 N ATOM 279 CA CYS A 19 -4.024 11.520 1.067 1.00 0.00 C ATOM 280 C CYS A 19 -3.365 11.943 -0.241 1.00 0.00 C ATOM 281 O CYS A 19 -2.143 12.074 -0.324 1.00 0.00 O ATOM 282 CB CYS A 19 -4.111 9.993 1.163 1.00 0.00 C ATOM 283 SG CYS A 19 -4.858 9.389 2.711 1.00 0.00 S ATOM 0 H CYS A 19 -6.123 11.514 0.979 1.00 0.00 H new ATOM 0 HA CYS A 19 -3.418 11.857 1.908 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -4.693 9.619 0.321 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -3.109 9.576 1.068 1.00 0.00 H new ATOM 288 N LYS A 20 -4.200 12.176 -1.257 1.00 0.00 N ATOM 289 CA LYS A 20 -3.751 12.685 -2.540 1.00 0.00 C ATOM 290 C LYS A 20 -2.998 13.995 -2.355 1.00 0.00 C ATOM 291 O LYS A 20 -1.883 14.161 -2.853 1.00 0.00 O ATOM 292 CB LYS A 20 -4.964 12.894 -3.462 1.00 0.00 C ATOM 293 CG LYS A 20 -4.714 13.807 -4.656 1.00 0.00 C ATOM 294 CD LYS A 20 -3.805 13.167 -5.686 1.00 0.00 C ATOM 295 CE LYS A 20 -3.591 14.075 -6.889 1.00 0.00 C ATOM 296 NZ LYS A 20 -2.821 15.303 -6.547 1.00 0.00 N ATOM 0 H LYS A 20 -5.206 12.014 -1.206 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.075 11.961 -2.995 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.294 11.922 -3.829 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.783 13.307 -2.873 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.666 14.061 -5.122 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.269 14.740 -4.311 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.843 12.936 -5.229 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.237 12.222 -6.015 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.063 13.524 -7.667 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.559 14.360 -7.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.257 16.126 -7.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.828 15.441 -5.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.840 15.200 -6.876 1.00 0.00 H new ATOM 310 N ASP A 21 -3.611 14.912 -1.619 1.00 0.00 N ATOM 311 CA ASP A 21 -3.015 16.219 -1.385 1.00 0.00 C ATOM 312 C ASP A 21 -1.811 16.133 -0.454 1.00 0.00 C ATOM 313 O ASP A 21 -0.806 16.810 -0.666 1.00 0.00 O ATOM 314 CB ASP A 21 -4.042 17.184 -0.800 1.00 0.00 C ATOM 315 CG ASP A 21 -3.446 18.554 -0.550 1.00 0.00 C ATOM 316 OD1 ASP A 21 -3.263 19.311 -1.527 1.00 0.00 O ATOM 317 OD2 ASP A 21 -3.147 18.876 0.618 1.00 0.00 O ATOM 0 H ASP A 21 -4.519 14.775 -1.175 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.676 16.592 -2.351 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.887 17.274 -1.483 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.430 16.780 0.135 1.00 0.00 H new ATOM 322 N GLU A 22 -1.905 15.294 0.571 1.00 0.00 N ATOM 323 CA GLU A 22 -0.871 15.247 1.596 1.00 0.00 C ATOM 324 C GLU A 22 0.436 14.654 1.066 1.00 0.00 C ATOM 325 O GLU A 22 1.517 15.116 1.434 1.00 0.00 O ATOM 326 CB GLU A 22 -1.352 14.468 2.820 1.00 0.00 C ATOM 327 CG GLU A 22 -0.594 14.825 4.090 1.00 0.00 C ATOM 328 CD GLU A 22 -1.167 14.157 5.320 1.00 0.00 C ATOM 329 OE1 GLU A 22 -0.979 12.938 5.491 1.00 0.00 O ATOM 330 OE2 GLU A 22 -1.818 14.853 6.126 1.00 0.00 O ATOM 0 H GLU A 22 -2.678 14.644 0.713 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.668 16.276 1.893 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.414 14.661 2.972 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.246 13.400 2.629 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.451 14.535 3.978 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.612 15.906 4.227 1.00 0.00 H new ATOM 337 N LEU A 23 0.356 13.645 0.197 1.00 0.00 N ATOM 338 CA LEU A 23 1.573 13.050 -0.354 1.00 0.00 C ATOM 339 C LEU A 23 2.026 13.825 -1.574 1.00 0.00 C ATOM 340 O LEU A 23 3.095 13.568 -2.127 1.00 0.00 O ATOM 341 CB LEU A 23 1.356 11.587 -0.743 1.00 0.00 C ATOM 342 CG LEU A 23 0.679 10.720 0.304 1.00 0.00 C ATOM 343 CD1 LEU A 23 0.750 9.253 -0.093 1.00 0.00 C ATOM 344 CD2 LEU A 23 1.341 10.984 1.627 1.00 0.00 C ATOM 0 H LEU A 23 -0.516 13.231 -0.134 1.00 0.00 H new ATOM 0 HA LEU A 23 2.339 13.093 0.421 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.758 11.557 -1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.324 11.146 -0.982 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.380 10.967 0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.260 8.646 0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.248 9.110 -1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.793 8.950 -0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.872 10.372 2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.400 10.734 1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.232 12.038 1.884 1.00 0.00 H new ATOM 356 N SER A 24 1.194 14.777 -1.978 1.00 0.00 N ATOM 357 CA SER A 24 1.435 15.562 -3.179 1.00 0.00 C ATOM 358 C SER A 24 1.509 14.630 -4.390 1.00 0.00 C ATOM 359 O SER A 24 2.389 14.760 -5.243 1.00 0.00 O ATOM 360 CB SER A 24 2.727 16.381 -3.024 1.00 0.00 C ATOM 361 OG SER A 24 2.873 17.333 -4.065 1.00 0.00 O ATOM 0 H SER A 24 0.337 15.025 -1.484 1.00 0.00 H new ATOM 0 HA SER A 24 0.614 16.262 -3.332 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.720 16.893 -2.061 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.586 15.709 -3.022 1.00 0.00 H new ATOM 0 HG SER A 24 2.872 16.874 -4.931 1.00 0.00 H new ATOM 367 N LEU A 25 0.575 13.675 -4.439 1.00 0.00 N ATOM 368 CA LEU A 25 0.502 12.708 -5.544 1.00 0.00 C ATOM 369 C LEU A 25 0.535 13.383 -6.904 1.00 0.00 C ATOM 370 O LEU A 25 -0.294 14.248 -7.189 1.00 0.00 O ATOM 371 CB LEU A 25 -0.765 11.855 -5.486 1.00 0.00 C ATOM 372 CG LEU A 25 -0.746 10.699 -4.486 1.00 0.00 C ATOM 373 CD1 LEU A 25 -0.590 11.196 -3.077 1.00 0.00 C ATOM 374 CD2 LEU A 25 -1.997 9.867 -4.571 1.00 0.00 C ATOM 0 H LEU A 25 -0.143 13.549 -3.726 1.00 0.00 H new ATOM 0 HA LEU A 25 1.382 12.076 -5.421 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.606 12.505 -5.245 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.951 11.447 -6.480 1.00 0.00 H new ATOM 0 HG LEU A 25 0.112 10.080 -4.749 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.580 10.349 -2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.346 11.746 -2.987 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.423 11.854 -2.829 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.945 9.056 -3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.864 10.491 -4.356 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.089 9.450 -5.574 1.00 0.00 H new ATOM 386 N PRO A 26 1.479 12.987 -7.769 1.00 0.00 N ATOM 387 CA PRO A 26 1.484 13.412 -9.164 1.00 0.00 C ATOM 388 C PRO A 26 0.357 12.721 -9.926 1.00 0.00 C ATOM 389 O PRO A 26 -0.050 11.607 -9.570 1.00 0.00 O ATOM 390 CB PRO A 26 2.856 12.958 -9.692 1.00 0.00 C ATOM 391 CG PRO A 26 3.631 12.539 -8.486 1.00 0.00 C ATOM 392 CD PRO A 26 2.611 12.096 -7.480 1.00 0.00 C ATOM 0 HA PRO A 26 1.330 14.485 -9.282 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.752 12.133 -10.397 1.00 0.00 H new ATOM 0 HB3 PRO A 26 3.360 13.767 -10.220 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.321 11.730 -8.726 1.00 0.00 H new ATOM 0 HG3 PRO A 26 4.229 13.364 -8.099 1.00 0.00 H new ATOM 0 HD2 PRO A 26 2.345 11.046 -7.606 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.970 12.213 -6.458 1.00 0.00 H new ATOM 400 N ASP A 27 -0.154 13.368 -10.962 1.00 0.00 N ATOM 401 CA ASP A 27 -1.285 12.823 -11.704 1.00 0.00 C ATOM 402 C ASP A 27 -0.900 11.538 -12.433 1.00 0.00 C ATOM 403 O ASP A 27 -1.745 10.677 -12.685 1.00 0.00 O ATOM 404 CB ASP A 27 -1.863 13.840 -12.680 1.00 0.00 C ATOM 405 CG ASP A 27 -1.053 13.983 -13.956 1.00 0.00 C ATOM 406 OD1 ASP A 27 -1.324 13.244 -14.924 1.00 0.00 O ATOM 407 OD2 ASP A 27 -0.149 14.849 -14.003 1.00 0.00 O ATOM 0 H ASP A 27 0.191 14.263 -11.307 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.060 12.584 -10.976 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.881 13.548 -12.936 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.924 14.810 -12.187 1.00 0.00 H new ATOM 412 N SER A 28 0.379 11.397 -12.748 1.00 0.00 N ATOM 413 CA SER A 28 0.871 10.187 -13.382 1.00 0.00 C ATOM 414 C SER A 28 0.743 8.991 -12.437 1.00 0.00 C ATOM 415 O SER A 28 0.484 7.863 -12.868 1.00 0.00 O ATOM 416 CB SER A 28 2.326 10.383 -13.806 1.00 0.00 C ATOM 417 OG SER A 28 3.096 10.912 -12.738 1.00 0.00 O ATOM 0 H SER A 28 1.092 12.105 -12.575 1.00 0.00 H new ATOM 0 HA SER A 28 0.268 9.982 -14.267 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.747 9.430 -14.127 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.372 11.056 -14.662 1.00 0.00 H new ATOM 0 HG SER A 28 4.024 11.028 -13.030 1.00 0.00 H new ATOM 423 N VAL A 29 0.893 9.251 -11.144 1.00 0.00 N ATOM 424 CA VAL A 29 0.841 8.196 -10.148 1.00 0.00 C ATOM 425 C VAL A 29 -0.593 7.795 -9.840 1.00 0.00 C ATOM 426 O VAL A 29 -0.888 6.608 -9.740 1.00 0.00 O ATOM 427 CB VAL A 29 1.555 8.599 -8.853 1.00 0.00 C ATOM 428 CG1 VAL A 29 1.631 7.415 -7.908 1.00 0.00 C ATOM 429 CG2 VAL A 29 2.941 9.135 -9.162 1.00 0.00 C ATOM 0 H VAL A 29 1.051 10.184 -10.764 1.00 0.00 H new ATOM 0 HA VAL A 29 1.362 7.339 -10.575 1.00 0.00 H new ATOM 0 HB VAL A 29 0.985 9.390 -8.366 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.140 7.713 -6.992 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.623 7.075 -7.669 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.184 6.605 -8.383 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.437 9.418 -8.234 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.525 8.365 -9.666 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.858 10.008 -9.809 1.00 0.00 H new ATOM 439 N VAL A 30 -1.494 8.774 -9.700 1.00 0.00 N ATOM 440 CA VAL A 30 -2.909 8.458 -9.492 1.00 0.00 C ATOM 441 C VAL A 30 -3.436 7.643 -10.675 1.00 0.00 C ATOM 442 O VAL A 30 -4.340 6.822 -10.529 1.00 0.00 O ATOM 443 CB VAL A 30 -3.800 9.709 -9.279 1.00 0.00 C ATOM 444 CG1 VAL A 30 -3.368 10.470 -8.037 1.00 0.00 C ATOM 445 CG2 VAL A 30 -3.798 10.621 -10.492 1.00 0.00 C ATOM 0 H VAL A 30 -1.275 9.770 -9.726 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.965 7.878 -8.571 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.822 9.358 -9.137 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.006 11.344 -7.906 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.456 9.822 -7.165 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.332 10.790 -8.148 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.435 11.484 -10.299 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.781 10.958 -10.692 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.177 10.077 -11.357 1.00 0.00 H new ATOM 455 N ALA A 31 -2.839 7.872 -11.843 1.00 0.00 N ATOM 456 CA ALA A 31 -3.179 7.127 -13.047 1.00 0.00 C ATOM 457 C ALA A 31 -2.781 5.658 -12.930 1.00 0.00 C ATOM 458 O ALA A 31 -3.604 4.765 -13.144 1.00 0.00 O ATOM 459 CB ALA A 31 -2.474 7.745 -14.236 1.00 0.00 C ATOM 0 H ALA A 31 -2.112 8.574 -11.978 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.260 7.175 -13.180 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.727 7.189 -15.139 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.791 8.782 -14.348 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.396 7.710 -14.078 1.00 0.00 H new ATOM 465 N ASP A 32 -1.516 5.415 -12.585 1.00 0.00 N ATOM 466 CA ASP A 32 -1.005 4.049 -12.455 1.00 0.00 C ATOM 467 C ASP A 32 -1.677 3.359 -11.279 1.00 0.00 C ATOM 468 O ASP A 32 -1.960 2.160 -11.316 1.00 0.00 O ATOM 469 CB ASP A 32 0.516 4.060 -12.267 1.00 0.00 C ATOM 470 CG ASP A 32 1.118 2.665 -12.254 1.00 0.00 C ATOM 471 OD1 ASP A 32 0.835 1.881 -13.183 1.00 0.00 O ATOM 472 OD2 ASP A 32 1.913 2.358 -11.341 1.00 0.00 O ATOM 0 H ASP A 32 -0.828 6.143 -12.391 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.233 3.499 -13.368 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.972 4.640 -13.069 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.758 4.564 -11.331 1.00 0.00 H new ATOM 477 N LEU A 33 -1.920 4.145 -10.239 1.00 0.00 N ATOM 478 CA LEU A 33 -2.685 3.713 -9.077 1.00 0.00 C ATOM 479 C LEU A 33 -3.974 3.006 -9.494 1.00 0.00 C ATOM 480 O LEU A 33 -4.227 1.871 -9.094 1.00 0.00 O ATOM 481 CB LEU A 33 -3.025 4.937 -8.218 1.00 0.00 C ATOM 482 CG LEU A 33 -3.549 4.647 -6.814 1.00 0.00 C ATOM 483 CD1 LEU A 33 -2.469 3.964 -5.995 1.00 0.00 C ATOM 484 CD2 LEU A 33 -3.996 5.936 -6.141 1.00 0.00 C ATOM 0 H LEU A 33 -1.589 5.108 -10.177 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.082 3.007 -8.507 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.130 5.554 -8.130 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.771 5.531 -8.747 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.410 3.982 -6.884 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.847 3.759 -4.993 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.186 3.027 -6.475 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.597 4.615 -5.927 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.367 5.714 -5.140 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.152 6.622 -6.071 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.790 6.397 -6.729 1.00 0.00 H new ATOM 496 N TYR A 34 -4.786 3.691 -10.294 1.00 0.00 N ATOM 497 CA TYR A 34 -6.056 3.128 -10.776 1.00 0.00 C ATOM 498 C TYR A 34 -5.944 1.922 -11.739 1.00 0.00 C ATOM 499 O TYR A 34 -6.958 1.539 -12.326 1.00 0.00 O ATOM 500 CB TYR A 34 -6.908 4.224 -11.417 1.00 0.00 C ATOM 501 CG TYR A 34 -7.502 5.166 -10.400 1.00 0.00 C ATOM 502 CD1 TYR A 34 -8.162 4.667 -9.286 1.00 0.00 C ATOM 503 CD2 TYR A 34 -7.399 6.543 -10.544 1.00 0.00 C ATOM 504 CE1 TYR A 34 -8.704 5.512 -8.344 1.00 0.00 C ATOM 505 CE2 TYR A 34 -7.941 7.395 -9.604 1.00 0.00 C ATOM 506 CZ TYR A 34 -8.590 6.873 -8.506 1.00 0.00 C ATOM 507 OH TYR A 34 -9.122 7.713 -7.561 1.00 0.00 O ATOM 0 H TYR A 34 -4.593 4.636 -10.625 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.531 2.726 -9.881 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.296 4.791 -12.118 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.711 3.764 -11.994 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.252 3.599 -9.156 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.888 6.952 -11.403 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.216 5.109 -7.483 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.857 8.465 -9.728 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.958 7.346 -6.667 1.00 0.00 H new ATOM 517 N ASN A 35 -4.762 1.317 -11.935 1.00 0.00 N ATOM 518 CA ASN A 35 -4.661 0.164 -12.822 1.00 0.00 C ATOM 519 C ASN A 35 -5.442 -1.008 -12.240 1.00 0.00 C ATOM 520 O ASN A 35 -5.122 -1.509 -11.161 1.00 0.00 O ATOM 521 CB ASN A 35 -3.197 -0.233 -13.043 1.00 0.00 C ATOM 522 CG ASN A 35 -3.049 -1.440 -13.955 1.00 0.00 C ATOM 523 OD1 ASN A 35 -3.894 -1.697 -14.816 1.00 0.00 O ATOM 524 ND2 ASN A 35 -1.967 -2.179 -13.785 1.00 0.00 N ATOM 0 H ASN A 35 -3.885 1.604 -11.499 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.087 0.435 -13.788 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.657 0.611 -13.473 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.734 -0.451 -12.080 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.808 -2.994 -14.377 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.291 -1.934 -13.062 1.00 0.00 H new ATOM 531 N PHE A 36 -6.479 -1.428 -12.950 1.00 0.00 N ATOM 532 CA PHE A 36 -7.356 -2.487 -12.468 1.00 0.00 C ATOM 533 C PHE A 36 -6.725 -3.857 -12.661 1.00 0.00 C ATOM 534 O PHE A 36 -6.987 -4.782 -11.890 1.00 0.00 O ATOM 535 CB PHE A 36 -8.706 -2.434 -13.189 1.00 0.00 C ATOM 536 CG PHE A 36 -9.490 -1.181 -12.916 1.00 0.00 C ATOM 537 CD1 PHE A 36 -10.181 -1.029 -11.725 1.00 0.00 C ATOM 538 CD2 PHE A 36 -9.534 -0.160 -13.849 1.00 0.00 C ATOM 539 CE1 PHE A 36 -10.902 0.120 -11.470 1.00 0.00 C ATOM 540 CE2 PHE A 36 -10.254 0.992 -13.601 1.00 0.00 C ATOM 541 CZ PHE A 36 -10.938 1.133 -12.410 1.00 0.00 C ATOM 0 H PHE A 36 -6.735 -1.052 -13.863 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.511 -2.327 -11.401 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.538 -2.520 -14.263 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.301 -3.297 -12.890 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -10.155 -1.818 -10.988 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.999 -0.265 -14.781 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -11.437 0.227 -10.538 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -10.282 1.781 -14.338 1.00 0.00 H new ATOM 0 HZ PHE A 36 -11.501 2.034 -12.213 1.00 0.00 H new ATOM 551 N TRP A 37 -5.880 -3.979 -13.674 1.00 0.00 N ATOM 552 CA TRP A 37 -5.303 -5.267 -14.026 1.00 0.00 C ATOM 553 C TRP A 37 -4.103 -5.554 -13.136 1.00 0.00 C ATOM 554 O TRP A 37 -2.998 -5.078 -13.389 1.00 0.00 O ATOM 555 CB TRP A 37 -4.886 -5.278 -15.501 1.00 0.00 C ATOM 556 CG TRP A 37 -5.775 -4.448 -16.382 1.00 0.00 C ATOM 557 CD1 TRP A 37 -5.380 -3.461 -17.238 1.00 0.00 C ATOM 558 CD2 TRP A 37 -7.205 -4.512 -16.479 1.00 0.00 C ATOM 559 NE1 TRP A 37 -6.471 -2.913 -17.863 1.00 0.00 N ATOM 560 CE2 TRP A 37 -7.603 -3.540 -17.415 1.00 0.00 C ATOM 561 CE3 TRP A 37 -8.186 -5.296 -15.865 1.00 0.00 C ATOM 562 CZ2 TRP A 37 -8.938 -3.334 -17.753 1.00 0.00 C ATOM 563 CZ3 TRP A 37 -9.510 -5.091 -16.202 1.00 0.00 C ATOM 564 CH2 TRP A 37 -9.875 -4.117 -17.138 1.00 0.00 C ATOM 0 H TRP A 37 -5.580 -3.204 -14.265 1.00 0.00 H new ATOM 0 HA TRP A 37 -6.052 -6.044 -13.874 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.863 -4.912 -15.584 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.887 -6.306 -15.863 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -4.357 -3.156 -17.400 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -6.444 -2.160 -18.550 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -7.914 -6.049 -15.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -9.223 -2.583 -18.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -10.276 -5.692 -15.735 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -10.919 -3.981 -17.380 1.00 0.00 H new ATOM 575 N LYS A 38 -4.326 -6.337 -12.096 1.00 0.00 N ATOM 576 CA LYS A 38 -3.296 -6.588 -11.103 1.00 0.00 C ATOM 577 C LYS A 38 -2.482 -7.824 -11.462 1.00 0.00 C ATOM 578 O LYS A 38 -2.574 -8.855 -10.795 1.00 0.00 O ATOM 579 CB LYS A 38 -3.929 -6.742 -9.717 1.00 0.00 C ATOM 580 CG LYS A 38 -4.870 -5.601 -9.366 1.00 0.00 C ATOM 581 CD LYS A 38 -5.536 -5.808 -8.018 1.00 0.00 C ATOM 582 CE LYS A 38 -6.637 -4.786 -7.788 1.00 0.00 C ATOM 583 NZ LYS A 38 -7.732 -4.927 -8.787 1.00 0.00 N ATOM 0 H LYS A 38 -5.211 -6.810 -11.917 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.618 -5.735 -11.086 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.477 -7.684 -9.676 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.140 -6.799 -8.967 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.315 -4.663 -9.356 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.634 -5.511 -10.138 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.953 -6.814 -7.966 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.792 -5.730 -7.226 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.042 -4.907 -6.783 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.219 -3.781 -7.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.563 -4.389 -8.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.413 -4.560 -9.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.986 -5.931 -8.884 1.00 0.00 H new ATOM 597 N ASP A 39 -1.720 -7.726 -12.546 1.00 0.00 N ATOM 598 CA ASP A 39 -0.834 -8.817 -12.983 1.00 0.00 C ATOM 599 C ASP A 39 0.295 -9.160 -11.984 1.00 0.00 C ATOM 600 O ASP A 39 1.205 -9.906 -12.347 1.00 0.00 O ATOM 601 CB ASP A 39 -0.221 -8.493 -14.355 1.00 0.00 C ATOM 602 CG ASP A 39 0.689 -7.277 -14.345 1.00 0.00 C ATOM 603 OD1 ASP A 39 1.907 -7.434 -14.119 1.00 0.00 O ATOM 604 OD2 ASP A 39 0.189 -6.157 -14.593 1.00 0.00 O ATOM 0 H ASP A 39 -1.693 -6.901 -13.145 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.471 -9.699 -13.044 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.345 -9.357 -14.703 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.025 -8.328 -15.073 1.00 0.00 H new ATOM 609 N ASP A 40 0.231 -8.672 -10.732 1.00 0.00 N ATOM 610 CA ASP A 40 1.358 -8.768 -9.805 1.00 0.00 C ATOM 611 C ASP A 40 2.587 -8.086 -10.401 1.00 0.00 C ATOM 612 O ASP A 40 3.550 -8.732 -10.816 1.00 0.00 O ATOM 613 CB ASP A 40 1.652 -10.230 -9.438 1.00 0.00 C ATOM 614 CG ASP A 40 2.805 -10.374 -8.461 1.00 0.00 C ATOM 615 OD1 ASP A 40 2.681 -9.909 -7.310 1.00 0.00 O ATOM 616 OD2 ASP A 40 3.844 -10.954 -8.838 1.00 0.00 O ATOM 0 H ASP A 40 -0.591 -8.209 -10.345 1.00 0.00 H new ATOM 0 HA ASP A 40 1.093 -8.252 -8.882 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.757 -10.677 -9.005 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.880 -10.788 -10.346 1.00 0.00 H new ATOM 621 N TYR A 41 2.523 -6.768 -10.472 1.00 0.00 N ATOM 622 CA TYR A 41 3.580 -5.978 -11.079 1.00 0.00 C ATOM 623 C TYR A 41 4.439 -5.321 -10.008 1.00 0.00 C ATOM 624 O TYR A 41 4.097 -5.358 -8.823 1.00 0.00 O ATOM 625 CB TYR A 41 2.977 -4.918 -12.006 1.00 0.00 C ATOM 626 CG TYR A 41 1.818 -4.151 -11.404 1.00 0.00 C ATOM 627 CD1 TYR A 41 2.034 -3.035 -10.609 1.00 0.00 C ATOM 628 CD2 TYR A 41 0.507 -4.544 -11.640 1.00 0.00 C ATOM 629 CE1 TYR A 41 0.977 -2.333 -10.063 1.00 0.00 C ATOM 630 CE2 TYR A 41 -0.555 -3.848 -11.099 1.00 0.00 C ATOM 631 CZ TYR A 41 -0.315 -2.743 -10.312 1.00 0.00 C ATOM 632 OH TYR A 41 -1.371 -2.051 -9.770 1.00 0.00 O ATOM 0 H TYR A 41 1.742 -6.218 -10.113 1.00 0.00 H new ATOM 0 HA TYR A 41 4.215 -6.639 -11.668 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.758 -4.212 -12.288 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.640 -5.403 -12.922 1.00 0.00 H new ATOM 0 HD1 TYR A 41 3.045 -2.710 -10.414 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.315 -5.409 -12.257 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.162 -1.467 -9.444 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -1.568 -4.168 -11.292 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.213 -2.471 -10.045 1.00 0.00 H new ATOM 642 N VAL A 42 5.546 -4.721 -10.416 1.00 0.00 N ATOM 643 CA VAL A 42 6.430 -4.063 -9.469 1.00 0.00 C ATOM 644 C VAL A 42 6.036 -2.601 -9.310 1.00 0.00 C ATOM 645 O VAL A 42 6.143 -1.807 -10.246 1.00 0.00 O ATOM 646 CB VAL A 42 7.914 -4.144 -9.891 1.00 0.00 C ATOM 647 CG1 VAL A 42 8.817 -3.740 -8.733 1.00 0.00 C ATOM 648 CG2 VAL A 42 8.266 -5.540 -10.385 1.00 0.00 C ATOM 0 H VAL A 42 5.851 -4.676 -11.388 1.00 0.00 H new ATOM 0 HA VAL A 42 6.322 -4.589 -8.520 1.00 0.00 H new ATOM 0 HB VAL A 42 8.072 -3.448 -10.714 1.00 0.00 H new ATOM 0 HG11 VAL A 42 9.859 -3.802 -9.046 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.588 -2.717 -8.433 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.650 -4.411 -7.890 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.316 -5.569 -10.676 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.090 -6.263 -9.589 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.645 -5.789 -11.245 1.00 0.00 H new ATOM 658 N MET A 43 5.569 -2.262 -8.121 1.00 0.00 N ATOM 659 CA MET A 43 5.159 -0.905 -7.806 1.00 0.00 C ATOM 660 C MET A 43 6.387 -0.049 -7.512 1.00 0.00 C ATOM 661 O MET A 43 6.900 -0.050 -6.402 1.00 0.00 O ATOM 662 CB MET A 43 4.210 -0.940 -6.605 1.00 0.00 C ATOM 663 CG MET A 43 3.553 0.387 -6.279 1.00 0.00 C ATOM 664 SD MET A 43 2.156 0.194 -5.152 1.00 0.00 S ATOM 665 CE MET A 43 1.030 -0.762 -6.169 1.00 0.00 C ATOM 0 H MET A 43 5.463 -2.919 -7.348 1.00 0.00 H new ATOM 0 HA MET A 43 4.637 -0.463 -8.655 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.431 -1.679 -6.796 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.765 -1.280 -5.730 1.00 0.00 H new ATOM 0 HG2 MET A 43 4.289 1.055 -5.832 1.00 0.00 H new ATOM 0 HG3 MET A 43 3.212 0.859 -7.201 1.00 0.00 H new ATOM 0 HE1 MET A 43 0.029 -0.335 -6.104 1.00 0.00 H new ATOM 0 HE2 MET A 43 1.367 -0.739 -7.205 1.00 0.00 H new ATOM 0 HE3 MET A 43 1.008 -1.793 -5.817 1.00 0.00 H new ATOM 675 N THR A 44 6.867 0.659 -8.524 1.00 0.00 N ATOM 676 CA THR A 44 8.139 1.364 -8.422 1.00 0.00 C ATOM 677 C THR A 44 7.974 2.816 -7.975 1.00 0.00 C ATOM 678 O THR A 44 8.934 3.448 -7.530 1.00 0.00 O ATOM 679 CB THR A 44 8.898 1.319 -9.760 1.00 0.00 C ATOM 680 OG1 THR A 44 7.974 1.455 -10.850 1.00 0.00 O ATOM 681 CG2 THR A 44 9.673 0.019 -9.907 1.00 0.00 C ATOM 0 H THR A 44 6.397 0.761 -9.424 1.00 0.00 H new ATOM 0 HA THR A 44 8.716 0.846 -7.656 1.00 0.00 H new ATOM 0 HB THR A 44 9.608 2.146 -9.775 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.463 1.427 -11.699 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.199 0.015 -10.861 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.394 -0.068 -9.094 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.982 -0.823 -9.871 1.00 0.00 H new ATOM 689 N ASP A 45 6.768 3.352 -8.094 1.00 0.00 N ATOM 690 CA ASP A 45 6.519 4.720 -7.664 1.00 0.00 C ATOM 691 C ASP A 45 6.216 4.763 -6.188 1.00 0.00 C ATOM 692 O ASP A 45 5.411 3.986 -5.666 1.00 0.00 O ATOM 693 CB ASP A 45 5.389 5.371 -8.460 1.00 0.00 C ATOM 694 CG ASP A 45 5.403 6.878 -8.309 1.00 0.00 C ATOM 695 OD1 ASP A 45 5.140 7.379 -7.197 1.00 0.00 O ATOM 696 OD2 ASP A 45 5.719 7.569 -9.295 1.00 0.00 O ATOM 0 H ASP A 45 5.957 2.869 -8.479 1.00 0.00 H new ATOM 0 HA ASP A 45 7.427 5.292 -7.856 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.486 5.109 -9.513 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.430 4.979 -8.121 1.00 0.00 H new ATOM 701 N ARG A 46 6.864 5.706 -5.533 1.00 0.00 N ATOM 702 CA ARG A 46 6.815 5.825 -4.087 1.00 0.00 C ATOM 703 C ARG A 46 5.422 6.261 -3.653 1.00 0.00 C ATOM 704 O ARG A 46 4.933 5.889 -2.583 1.00 0.00 O ATOM 705 CB ARG A 46 7.841 6.852 -3.589 1.00 0.00 C ATOM 706 CG ARG A 46 9.312 6.488 -3.775 1.00 0.00 C ATOM 707 CD ARG A 46 9.716 6.435 -5.236 1.00 0.00 C ATOM 708 NE ARG A 46 11.150 6.223 -5.386 1.00 0.00 N ATOM 709 CZ ARG A 46 11.761 6.018 -6.544 1.00 0.00 C ATOM 710 NH1 ARG A 46 11.069 6.035 -7.675 1.00 0.00 N ATOM 711 NH2 ARG A 46 13.072 5.803 -6.565 1.00 0.00 N ATOM 0 H ARG A 46 7.441 6.413 -5.988 1.00 0.00 H new ATOM 0 HA ARG A 46 7.052 4.852 -3.656 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.655 7.796 -4.101 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.664 7.025 -2.528 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.932 7.219 -3.256 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.505 5.520 -3.312 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.174 5.632 -5.736 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.431 7.365 -5.727 1.00 0.00 H new ATOM 0 HE ARG A 46 11.723 6.233 -4.542 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.064 6.206 -7.655 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.542 5.877 -8.565 1.00 0.00 H new ATOM 0 HH21 ARG A 46 13.602 5.796 -5.693 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.549 5.644 -7.453 1.00 0.00 H new ATOM 725 N LEU A 47 4.783 7.037 -4.512 1.00 0.00 N ATOM 726 CA LEU A 47 3.482 7.602 -4.221 1.00 0.00 C ATOM 727 C LEU A 47 2.390 6.553 -4.333 1.00 0.00 C ATOM 728 O LEU A 47 1.283 6.751 -3.839 1.00 0.00 O ATOM 729 CB LEU A 47 3.183 8.788 -5.149 1.00 0.00 C ATOM 730 CG LEU A 47 3.788 10.118 -4.718 1.00 0.00 C ATOM 731 CD1 LEU A 47 3.280 10.474 -3.335 1.00 0.00 C ATOM 732 CD2 LEU A 47 5.307 10.066 -4.758 1.00 0.00 C ATOM 0 H LEU A 47 5.153 7.291 -5.428 1.00 0.00 H new ATOM 0 HA LEU A 47 3.500 7.963 -3.193 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.548 8.548 -6.148 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.102 8.906 -5.224 1.00 0.00 H new ATOM 0 HG LEU A 47 3.479 10.896 -5.416 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.711 11.425 -3.023 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.193 10.557 -3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.570 9.696 -2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.712 11.028 -4.446 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.662 9.287 -4.084 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.637 9.846 -5.773 1.00 0.00 H new ATOM 744 N ALA A 48 2.706 5.423 -4.950 1.00 0.00 N ATOM 745 CA ALA A 48 1.727 4.375 -5.116 1.00 0.00 C ATOM 746 C ALA A 48 1.707 3.518 -3.868 1.00 0.00 C ATOM 747 O ALA A 48 0.669 3.360 -3.224 1.00 0.00 O ATOM 748 CB ALA A 48 2.038 3.557 -6.352 1.00 0.00 C ATOM 0 H ALA A 48 3.626 5.216 -5.338 1.00 0.00 H new ATOM 0 HA ALA A 48 0.736 4.808 -5.256 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.292 2.770 -6.465 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.020 4.203 -7.230 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.026 3.108 -6.252 1.00 0.00 H new ATOM 754 N GLY A 49 2.873 2.955 -3.555 1.00 0.00 N ATOM 755 CA GLY A 49 3.100 2.334 -2.253 1.00 0.00 C ATOM 756 C GLY A 49 2.467 3.078 -1.070 1.00 0.00 C ATOM 757 O GLY A 49 1.866 2.444 -0.206 1.00 0.00 O ATOM 0 H GLY A 49 3.674 2.917 -4.185 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.708 1.317 -2.277 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.174 2.258 -2.084 1.00 0.00 H new ATOM 761 N CYS A 50 2.600 4.408 -1.008 1.00 0.00 N ATOM 762 CA CYS A 50 2.031 5.167 0.103 1.00 0.00 C ATOM 763 C CYS A 50 0.512 5.333 -0.025 1.00 0.00 C ATOM 764 O CYS A 50 -0.228 5.118 0.936 1.00 0.00 O ATOM 765 CB CYS A 50 2.699 6.547 0.202 1.00 0.00 C ATOM 766 SG CYS A 50 4.227 6.584 1.200 1.00 0.00 S ATOM 0 H CYS A 50 3.089 4.971 -1.704 1.00 0.00 H new ATOM 0 HA CYS A 50 2.225 4.599 1.013 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.930 6.897 -0.804 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.985 7.252 0.629 1.00 0.00 H new ATOM 771 N ALA A 51 0.041 5.675 -1.221 1.00 0.00 N ATOM 772 CA ALA A 51 -1.376 5.974 -1.424 1.00 0.00 C ATOM 773 C ALA A 51 -2.259 4.736 -1.298 1.00 0.00 C ATOM 774 O ALA A 51 -3.446 4.850 -0.991 1.00 0.00 O ATOM 775 CB ALA A 51 -1.592 6.626 -2.779 1.00 0.00 C ATOM 0 H ALA A 51 0.615 5.752 -2.061 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.668 6.665 -0.634 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.652 6.842 -2.914 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.023 7.554 -2.831 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.256 5.950 -3.566 1.00 0.00 H new ATOM 781 N ILE A 52 -1.685 3.558 -1.517 1.00 0.00 N ATOM 782 CA ILE A 52 -2.457 2.321 -1.466 1.00 0.00 C ATOM 783 C ILE A 52 -2.846 1.977 -0.024 1.00 0.00 C ATOM 784 O ILE A 52 -3.790 1.219 0.214 1.00 0.00 O ATOM 785 CB ILE A 52 -1.690 1.137 -2.111 1.00 0.00 C ATOM 786 CG1 ILE A 52 -2.624 -0.064 -2.310 1.00 0.00 C ATOM 787 CG2 ILE A 52 -0.490 0.739 -1.262 1.00 0.00 C ATOM 788 CD1 ILE A 52 -1.972 -1.236 -3.014 1.00 0.00 C ATOM 0 H ILE A 52 -0.695 3.433 -1.730 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.366 2.486 -2.045 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.326 1.461 -3.086 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.989 -0.394 -1.337 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.493 0.255 -2.885 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.031 -0.093 -1.736 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.188 1.587 -1.171 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.829 0.438 -0.271 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.694 -2.046 -3.118 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.632 -0.924 -4.002 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.120 -1.583 -2.430 1.00 0.00 H new ATOM 800 N ASN A 53 -2.133 2.549 0.940 1.00 0.00 N ATOM 801 CA ASN A 53 -2.434 2.305 2.343 1.00 0.00 C ATOM 802 C ASN A 53 -2.199 3.568 3.159 1.00 0.00 C ATOM 803 O ASN A 53 -1.120 3.775 3.712 1.00 0.00 O ATOM 804 CB ASN A 53 -1.591 1.154 2.896 1.00 0.00 C ATOM 805 CG ASN A 53 -2.061 0.709 4.268 1.00 0.00 C ATOM 806 OD1 ASN A 53 -3.254 0.756 4.574 1.00 0.00 O ATOM 807 ND2 ASN A 53 -1.131 0.274 5.101 1.00 0.00 N ATOM 0 H ASN A 53 -1.349 3.180 0.776 1.00 0.00 H new ATOM 0 HA ASN A 53 -3.484 2.023 2.419 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -1.634 0.310 2.207 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -0.548 1.465 2.954 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.390 -0.039 6.037 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.154 0.251 4.808 1.00 0.00 H new ATOM 814 N CYS A 54 -3.205 4.426 3.205 1.00 0.00 N ATOM 815 CA CYS A 54 -3.085 5.696 3.904 1.00 0.00 C ATOM 816 C CYS A 54 -4.139 5.835 4.999 1.00 0.00 C ATOM 817 O CYS A 54 -3.824 6.223 6.123 1.00 0.00 O ATOM 818 CB CYS A 54 -3.205 6.851 2.906 1.00 0.00 C ATOM 819 SG CYS A 54 -3.304 8.503 3.673 1.00 0.00 S ATOM 0 H CYS A 54 -4.113 4.267 2.768 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.106 5.728 4.381 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.346 6.826 2.235 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.093 6.695 2.293 1.00 0.00 H new ATOM 824 N LEU A 55 -5.381 5.488 4.675 1.00 0.00 N ATOM 825 CA LEU A 55 -6.505 5.688 5.591 1.00 0.00 C ATOM 826 C LEU A 55 -6.285 4.960 6.914 1.00 0.00 C ATOM 827 O LEU A 55 -6.403 5.550 7.990 1.00 0.00 O ATOM 828 CB LEU A 55 -7.825 5.211 4.959 1.00 0.00 C ATOM 829 CG LEU A 55 -8.363 6.051 3.789 1.00 0.00 C ATOM 830 CD1 LEU A 55 -8.388 7.528 4.149 1.00 0.00 C ATOM 831 CD2 LEU A 55 -7.554 5.815 2.519 1.00 0.00 C ATOM 0 H LEU A 55 -5.637 5.065 3.783 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.568 6.758 5.787 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.687 4.188 4.610 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.587 5.182 5.738 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.387 5.731 3.594 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.772 8.102 3.306 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.032 7.681 5.015 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.378 7.862 4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.960 6.423 1.711 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.514 6.091 2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.609 4.762 2.243 1.00 0.00 H new ATOM 843 N ALA A 56 -5.917 3.693 6.834 1.00 0.00 N ATOM 844 CA ALA A 56 -5.794 2.877 8.028 1.00 0.00 C ATOM 845 C ALA A 56 -4.449 3.100 8.702 1.00 0.00 C ATOM 846 O ALA A 56 -4.262 2.760 9.869 1.00 0.00 O ATOM 847 CB ALA A 56 -5.979 1.411 7.679 1.00 0.00 C ATOM 0 H ALA A 56 -5.700 3.211 5.962 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.574 3.173 8.729 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.885 0.807 8.582 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.968 1.262 7.245 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.218 1.109 6.960 1.00 0.00 H new ATOM 853 N THR A 57 -3.522 3.701 7.973 1.00 0.00 N ATOM 854 CA THR A 57 -2.222 4.012 8.529 1.00 0.00 C ATOM 855 C THR A 57 -2.273 5.332 9.296 1.00 0.00 C ATOM 856 O THR A 57 -1.593 5.505 10.306 1.00 0.00 O ATOM 857 CB THR A 57 -1.144 4.083 7.435 1.00 0.00 C ATOM 858 OG1 THR A 57 -1.523 3.243 6.336 1.00 0.00 O ATOM 859 CG2 THR A 57 0.189 3.617 7.990 1.00 0.00 C ATOM 0 H THR A 57 -3.648 3.981 7.000 1.00 0.00 H new ATOM 0 HA THR A 57 -1.956 3.208 9.215 1.00 0.00 H new ATOM 0 HB THR A 57 -1.049 5.114 7.094 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.166 3.614 5.502 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.947 3.670 7.209 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.480 4.257 8.823 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.099 2.588 8.338 1.00 0.00 H new ATOM 867 N LYS A 58 -3.077 6.269 8.816 1.00 0.00 N ATOM 868 CA LYS A 58 -3.260 7.524 9.525 1.00 0.00 C ATOM 869 C LYS A 58 -4.300 7.385 10.634 1.00 0.00 C ATOM 870 O LYS A 58 -4.430 8.267 11.483 1.00 0.00 O ATOM 871 CB LYS A 58 -3.644 8.644 8.564 1.00 0.00 C ATOM 872 CG LYS A 58 -2.540 8.986 7.579 1.00 0.00 C ATOM 873 CD LYS A 58 -2.805 10.312 6.890 1.00 0.00 C ATOM 874 CE LYS A 58 -2.851 11.448 7.898 1.00 0.00 C ATOM 875 NZ LYS A 58 -3.118 12.756 7.254 1.00 0.00 N ATOM 0 H LYS A 58 -3.607 6.185 7.949 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.308 7.784 9.987 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.537 8.351 8.012 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.901 9.535 9.137 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.585 9.030 8.102 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.459 8.196 6.832 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.025 10.506 6.153 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.750 10.263 6.349 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.625 11.244 8.638 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.903 11.495 8.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.278 13.363 7.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.338 12.609 6.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.926 13.215 7.721 1.00 0.00 H new ATOM 889 N LEU A 59 -5.048 6.284 10.616 1.00 0.00 N ATOM 890 CA LEU A 59 -5.985 5.986 11.670 1.00 0.00 C ATOM 891 C LEU A 59 -5.256 5.737 12.995 1.00 0.00 C ATOM 892 O LEU A 59 -5.410 6.508 13.944 1.00 0.00 O ATOM 893 CB LEU A 59 -6.820 4.775 11.269 1.00 0.00 C ATOM 894 CG LEU A 59 -7.674 4.188 12.377 1.00 0.00 C ATOM 895 CD1 LEU A 59 -8.623 5.235 12.948 1.00 0.00 C ATOM 896 CD2 LEU A 59 -8.447 2.995 11.858 1.00 0.00 C ATOM 0 H LEU A 59 -5.015 5.586 9.873 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.644 6.841 11.818 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.470 5.059 10.442 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.151 3.999 10.897 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.017 3.859 13.182 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.224 4.788 13.740 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.046 6.066 13.354 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.279 5.601 12.158 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.057 2.580 12.660 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.091 3.308 11.037 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.750 2.236 11.503 1.00 0.00 H new ATOM 908 N ASP A 60 -4.444 4.680 13.049 1.00 0.00 N ATOM 909 CA ASP A 60 -3.753 4.304 14.282 1.00 0.00 C ATOM 910 C ASP A 60 -2.807 3.142 14.022 1.00 0.00 C ATOM 911 O ASP A 60 -3.254 2.025 13.751 1.00 0.00 O ATOM 912 CB ASP A 60 -4.767 3.915 15.366 1.00 0.00 C ATOM 913 CG ASP A 60 -4.118 3.660 16.710 1.00 0.00 C ATOM 914 OD1 ASP A 60 -3.639 4.631 17.337 1.00 0.00 O ATOM 915 OD2 ASP A 60 -4.102 2.493 17.160 1.00 0.00 O ATOM 0 H ASP A 60 -4.249 4.071 12.255 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.177 5.162 14.629 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.505 4.710 15.469 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.304 3.020 15.051 1.00 0.00 H new ATOM 920 N VAL A 61 -1.504 3.398 14.105 1.00 0.00 N ATOM 921 CA VAL A 61 -0.513 2.381 13.770 1.00 0.00 C ATOM 922 C VAL A 61 0.922 2.880 14.038 1.00 0.00 C ATOM 923 O VAL A 61 1.877 2.481 13.364 1.00 0.00 O ATOM 924 CB VAL A 61 -0.676 1.979 12.277 1.00 0.00 C ATOM 925 CG1 VAL A 61 -0.235 3.104 11.362 1.00 0.00 C ATOM 926 CG2 VAL A 61 0.069 0.699 11.944 1.00 0.00 C ATOM 0 H VAL A 61 -1.113 4.293 14.399 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.680 1.511 14.406 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.737 1.790 12.113 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.359 2.798 10.323 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.842 3.989 11.554 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.813 3.336 11.549 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.074 0.458 10.891 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.132 0.834 12.144 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.315 -0.116 12.558 1.00 0.00 H new ATOM 936 N VAL A 62 1.097 3.720 15.054 1.00 0.00 N ATOM 937 CA VAL A 62 2.425 4.253 15.347 1.00 0.00 C ATOM 938 C VAL A 62 2.995 3.670 16.646 1.00 0.00 C ATOM 939 O VAL A 62 2.418 3.825 17.722 1.00 0.00 O ATOM 940 CB VAL A 62 2.447 5.808 15.382 1.00 0.00 C ATOM 941 CG1 VAL A 62 1.984 6.377 14.050 1.00 0.00 C ATOM 942 CG2 VAL A 62 1.604 6.368 16.522 1.00 0.00 C ATOM 0 H VAL A 62 0.355 4.041 15.676 1.00 0.00 H new ATOM 0 HA VAL A 62 3.068 3.940 14.525 1.00 0.00 H new ATOM 0 HB VAL A 62 3.478 6.113 15.560 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.006 7.466 14.092 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.647 6.031 13.257 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.967 6.042 13.845 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.649 7.457 16.507 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.570 6.046 16.402 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.990 6.002 17.474 1.00 0.00 H new ATOM 952 N ASP A 63 4.114 2.954 16.525 1.00 0.00 N ATOM 953 CA ASP A 63 4.801 2.383 17.677 1.00 0.00 C ATOM 954 C ASP A 63 5.377 3.455 18.612 1.00 0.00 C ATOM 955 O ASP A 63 5.008 3.506 19.784 1.00 0.00 O ATOM 956 CB ASP A 63 5.913 1.429 17.214 1.00 0.00 C ATOM 957 CG ASP A 63 5.599 -0.012 17.511 1.00 0.00 C ATOM 958 OD1 ASP A 63 4.749 -0.577 16.809 1.00 0.00 O ATOM 959 OD2 ASP A 63 6.213 -0.590 18.423 1.00 0.00 O ATOM 0 H ASP A 63 4.564 2.756 15.631 1.00 0.00 H new ATOM 0 HA ASP A 63 4.058 1.827 18.248 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.067 1.550 16.142 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.848 1.702 17.703 1.00 0.00 H new ATOM 964 N PRO A 64 6.286 4.332 18.131 1.00 0.00 N ATOM 965 CA PRO A 64 7.018 5.264 18.965 1.00 0.00 C ATOM 966 C PRO A 64 6.500 6.698 18.839 1.00 0.00 C ATOM 967 O PRO A 64 5.294 6.931 18.731 1.00 0.00 O ATOM 968 CB PRO A 64 8.429 5.144 18.361 1.00 0.00 C ATOM 969 CG PRO A 64 8.228 4.578 16.977 1.00 0.00 C ATOM 970 CD PRO A 64 6.741 4.509 16.760 1.00 0.00 C ATOM 0 HA PRO A 64 6.944 5.045 20.030 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.922 6.115 18.320 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.060 4.491 18.964 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.701 5.210 16.226 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.679 3.590 16.892 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.345 5.417 16.305 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.453 3.678 16.116 1.00 0.00 H new ATOM 978 N ASP A 65 7.427 7.651 18.814 1.00 0.00 N ATOM 979 CA ASP A 65 7.097 9.075 18.748 1.00 0.00 C ATOM 980 C ASP A 65 6.567 9.480 17.375 1.00 0.00 C ATOM 981 O ASP A 65 6.220 10.640 17.148 1.00 0.00 O ATOM 982 CB ASP A 65 8.339 9.908 19.080 1.00 0.00 C ATOM 983 CG ASP A 65 8.447 10.230 20.556 1.00 0.00 C ATOM 984 OD1 ASP A 65 8.959 9.387 21.319 1.00 0.00 O ATOM 985 OD2 ASP A 65 8.028 11.336 20.960 1.00 0.00 O ATOM 0 H ASP A 65 8.429 7.460 18.839 1.00 0.00 H new ATOM 0 HA ASP A 65 6.309 9.263 19.477 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.230 9.366 18.764 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.312 10.837 18.510 1.00 0.00 H new ATOM 990 N GLY A 66 6.489 8.522 16.467 1.00 0.00 N ATOM 991 CA GLY A 66 6.052 8.811 15.117 1.00 0.00 C ATOM 992 C GLY A 66 6.722 7.913 14.100 1.00 0.00 C ATOM 993 O GLY A 66 6.126 6.958 13.597 1.00 0.00 O ATOM 0 H GLY A 66 6.722 7.544 16.641 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.971 8.689 15.052 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.270 9.852 14.880 1.00 0.00 H new ATOM 997 N ASN A 67 7.979 8.216 13.827 1.00 0.00 N ATOM 998 CA ASN A 67 8.778 7.475 12.858 1.00 0.00 C ATOM 999 C ASN A 67 9.118 6.075 13.362 1.00 0.00 C ATOM 1000 O ASN A 67 9.178 5.844 14.563 1.00 0.00 O ATOM 1001 CB ASN A 67 10.070 8.241 12.558 1.00 0.00 C ATOM 1002 CG ASN A 67 10.750 8.747 13.820 1.00 0.00 C ATOM 1003 OD1 ASN A 67 11.589 7.924 14.426 1.00 0.00 O flip ATOM 1004 ND2 ASN A 67 10.509 9.872 14.260 1.00 0.00 N flip ATOM 0 H ASN A 67 8.479 8.986 14.271 1.00 0.00 H new ATOM 0 HA ASN A 67 8.187 7.371 11.948 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.756 7.592 12.014 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.846 9.085 11.906 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.857 10.483 13.769 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.962 10.193 15.116 1.00 0.00 H new ATOM 1011 N LEU A 68 9.321 5.153 12.423 1.00 0.00 N ATOM 1012 CA LEU A 68 9.763 3.779 12.715 1.00 0.00 C ATOM 1013 C LEU A 68 8.669 2.947 13.386 1.00 0.00 C ATOM 1014 O LEU A 68 8.955 1.986 14.102 1.00 0.00 O ATOM 1015 CB LEU A 68 11.036 3.767 13.584 1.00 0.00 C ATOM 1016 CG LEU A 68 12.378 3.926 12.844 1.00 0.00 C ATOM 1017 CD1 LEU A 68 12.619 2.767 11.883 1.00 0.00 C ATOM 1018 CD2 LEU A 68 12.442 5.252 12.100 1.00 0.00 C ATOM 0 H LEU A 68 9.184 5.334 11.429 1.00 0.00 H new ATOM 0 HA LEU A 68 9.990 3.322 11.752 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.955 4.568 14.318 1.00 0.00 H new ATOM 0 HB3 LEU A 68 11.062 2.829 14.138 1.00 0.00 H new ATOM 0 HG LEU A 68 13.167 3.917 13.596 1.00 0.00 H new ATOM 0 HD11 LEU A 68 13.573 2.907 11.376 1.00 0.00 H new ATOM 0 HD12 LEU A 68 12.639 1.830 12.440 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.817 2.734 11.145 1.00 0.00 H new ATOM 0 HD21 LEU A 68 13.400 5.336 11.588 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.635 5.299 11.369 1.00 0.00 H new ATOM 0 HD23 LEU A 68 12.337 6.073 12.810 1.00 0.00 H new ATOM 1030 N HIS A 69 7.416 3.286 13.116 1.00 0.00 N ATOM 1031 CA HIS A 69 6.291 2.463 13.548 1.00 0.00 C ATOM 1032 C HIS A 69 6.169 1.198 12.688 1.00 0.00 C ATOM 1033 O HIS A 69 5.224 1.043 11.918 1.00 0.00 O ATOM 1034 CB HIS A 69 4.985 3.274 13.497 1.00 0.00 C ATOM 1035 CG HIS A 69 4.668 3.908 12.167 1.00 0.00 C ATOM 1036 ND1 HIS A 69 3.524 3.623 11.456 1.00 0.00 N ATOM 1037 CD2 HIS A 69 5.342 4.826 11.432 1.00 0.00 C ATOM 1038 CE1 HIS A 69 3.506 4.337 10.345 1.00 0.00 C ATOM 1039 NE2 HIS A 69 4.599 5.075 10.308 1.00 0.00 N ATOM 0 H HIS A 69 7.151 4.125 12.600 1.00 0.00 H new ATOM 0 HA HIS A 69 6.473 2.154 14.577 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.159 2.618 13.774 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.035 4.059 14.252 1.00 0.00 H new ATOM 0 HD1 HIS A 69 2.802 2.962 11.743 1.00 0.00 H new ATOM 0 HD2 HIS A 69 6.290 5.278 11.685 1.00 0.00 H new ATOM 0 HE1 HIS A 69 2.729 4.320 9.595 1.00 0.00 H new ATOM 1048 N HIS A 70 7.138 0.298 12.819 1.00 0.00 N ATOM 1049 CA HIS A 70 7.145 -0.930 12.028 1.00 0.00 C ATOM 1050 C HIS A 70 6.343 -2.044 12.716 1.00 0.00 C ATOM 1051 O HIS A 70 5.714 -2.874 12.051 1.00 0.00 O ATOM 1052 CB HIS A 70 8.589 -1.377 11.713 1.00 0.00 C ATOM 1053 CG HIS A 70 9.348 -1.992 12.857 1.00 0.00 C ATOM 1054 ND1 HIS A 70 9.850 -3.272 12.807 1.00 0.00 N ATOM 1055 CD2 HIS A 70 9.705 -1.501 14.071 1.00 0.00 C ATOM 1056 CE1 HIS A 70 10.475 -3.544 13.932 1.00 0.00 C ATOM 1057 NE2 HIS A 70 10.402 -2.489 14.720 1.00 0.00 N ATOM 0 H HIS A 70 7.925 0.394 13.461 1.00 0.00 H new ATOM 0 HA HIS A 70 6.652 -0.719 11.079 1.00 0.00 H new ATOM 0 HB2 HIS A 70 8.556 -2.096 10.895 1.00 0.00 H new ATOM 0 HB3 HIS A 70 9.147 -0.512 11.355 1.00 0.00 H new ATOM 0 HD2 HIS A 70 9.482 -0.516 14.455 1.00 0.00 H new ATOM 0 HE1 HIS A 70 10.966 -4.476 14.171 1.00 0.00 H new ATOM 0 HE2 HIS A 70 10.798 -2.419 15.657 1.00 0.00 H new ATOM 1066 N GLY A 71 6.339 -2.033 14.049 1.00 0.00 N ATOM 1067 CA GLY A 71 5.712 -3.102 14.804 1.00 0.00 C ATOM 1068 C GLY A 71 4.210 -3.109 14.633 1.00 0.00 C ATOM 1069 O GLY A 71 3.644 -4.056 14.092 1.00 0.00 O ATOM 0 H GLY A 71 6.761 -1.299 14.619 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.118 -4.061 14.481 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.956 -2.992 15.861 1.00 0.00 H new ATOM 1073 N ASN A 72 3.578 -2.034 15.084 1.00 0.00 N ATOM 1074 CA ASN A 72 2.136 -1.842 14.941 1.00 0.00 C ATOM 1075 C ASN A 72 1.686 -1.947 13.492 1.00 0.00 C ATOM 1076 O ASN A 72 0.538 -2.268 13.236 1.00 0.00 O ATOM 1077 CB ASN A 72 1.714 -0.477 15.504 1.00 0.00 C ATOM 1078 CG ASN A 72 1.283 -0.525 16.961 1.00 0.00 C ATOM 1079 OD1 ASN A 72 0.108 -0.737 17.260 1.00 0.00 O ATOM 1080 ND2 ASN A 72 2.220 -0.309 17.877 1.00 0.00 N ATOM 0 H ASN A 72 4.050 -1.266 15.561 1.00 0.00 H new ATOM 0 HA ASN A 72 1.654 -2.640 15.507 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.545 0.221 15.403 1.00 0.00 H new ATOM 0 HB3 ASN A 72 0.893 -0.084 14.904 1.00 0.00 H new ATOM 0 HD21 ASN A 72 1.976 -0.315 18.867 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.184 -0.137 17.590 1.00 0.00 H new ATOM 1087 N ALA A 73 2.576 -1.674 12.542 1.00 0.00 N ATOM 1088 CA ALA A 73 2.213 -1.772 11.134 1.00 0.00 C ATOM 1089 C ALA A 73 2.020 -3.232 10.738 1.00 0.00 C ATOM 1090 O ALA A 73 1.103 -3.579 9.984 1.00 0.00 O ATOM 1091 CB ALA A 73 3.275 -1.121 10.262 1.00 0.00 C ATOM 0 H ALA A 73 3.539 -1.388 12.718 1.00 0.00 H new ATOM 0 HA ALA A 73 1.272 -1.243 10.982 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.987 -1.204 9.214 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.371 -0.069 10.530 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.230 -1.623 10.416 1.00 0.00 H new ATOM 1097 N LYS A 74 2.862 -4.093 11.283 1.00 0.00 N ATOM 1098 CA LYS A 74 2.746 -5.519 11.031 1.00 0.00 C ATOM 1099 C LYS A 74 1.682 -6.116 11.937 1.00 0.00 C ATOM 1100 O LYS A 74 0.926 -6.994 11.531 1.00 0.00 O ATOM 1101 CB LYS A 74 4.089 -6.212 11.226 1.00 0.00 C ATOM 1102 CG LYS A 74 5.179 -5.629 10.343 1.00 0.00 C ATOM 1103 CD LYS A 74 4.692 -5.416 8.917 1.00 0.00 C ATOM 1104 CE LYS A 74 5.663 -4.564 8.115 1.00 0.00 C ATOM 1105 NZ LYS A 74 5.109 -4.192 6.786 1.00 0.00 N ATOM 0 H LYS A 74 3.631 -3.831 11.900 1.00 0.00 H new ATOM 0 HA LYS A 74 2.445 -5.674 9.995 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.389 -6.128 12.271 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.980 -7.275 11.010 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.515 -4.679 10.759 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.040 -6.297 10.338 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.564 -6.382 8.428 1.00 0.00 H new ATOM 0 HD3 LYS A 74 3.714 -4.935 8.934 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.900 -3.660 8.675 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.597 -5.109 7.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.802 -3.612 6.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.906 -5.054 6.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.231 -3.650 6.915 1.00 0.00 H new ATOM 1119 N ASP A 75 1.616 -5.599 13.156 1.00 0.00 N ATOM 1120 CA ASP A 75 0.577 -5.974 14.110 1.00 0.00 C ATOM 1121 C ASP A 75 -0.804 -5.631 13.554 1.00 0.00 C ATOM 1122 O ASP A 75 -1.750 -6.408 13.684 1.00 0.00 O ATOM 1123 CB ASP A 75 0.817 -5.253 15.441 1.00 0.00 C ATOM 1124 CG ASP A 75 -0.319 -5.438 16.425 1.00 0.00 C ATOM 1125 OD1 ASP A 75 -0.307 -6.441 17.171 1.00 0.00 O ATOM 1126 OD2 ASP A 75 -1.225 -4.580 16.459 1.00 0.00 O ATOM 0 H ASP A 75 2.278 -4.910 13.512 1.00 0.00 H new ATOM 0 HA ASP A 75 0.617 -7.050 14.279 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.741 -5.622 15.887 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.957 -4.189 15.252 1.00 0.00 H new ATOM 1131 N PHE A 76 -0.899 -4.468 12.913 1.00 0.00 N ATOM 1132 CA PHE A 76 -2.122 -4.042 12.246 1.00 0.00 C ATOM 1133 C PHE A 76 -2.497 -5.023 11.148 1.00 0.00 C ATOM 1134 O PHE A 76 -3.659 -5.391 11.007 1.00 0.00 O ATOM 1135 CB PHE A 76 -1.948 -2.638 11.657 1.00 0.00 C ATOM 1136 CG PHE A 76 -2.991 -2.268 10.642 1.00 0.00 C ATOM 1137 CD1 PHE A 76 -4.290 -2.001 11.032 1.00 0.00 C ATOM 1138 CD2 PHE A 76 -2.669 -2.191 9.297 1.00 0.00 C ATOM 1139 CE1 PHE A 76 -5.251 -1.666 10.100 1.00 0.00 C ATOM 1140 CE2 PHE A 76 -3.624 -1.855 8.360 1.00 0.00 C ATOM 1141 CZ PHE A 76 -4.918 -1.593 8.763 1.00 0.00 C ATOM 0 H PHE A 76 -0.133 -3.799 12.843 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.924 -4.017 12.983 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.970 -1.910 12.468 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.964 -2.569 11.193 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.556 -2.055 12.077 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.658 -2.397 8.978 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.263 -1.461 10.417 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.360 -1.797 7.314 1.00 0.00 H new ATOM 0 HZ PHE A 76 -5.669 -1.331 8.032 1.00 0.00 H new ATOM 1151 N ALA A 77 -1.502 -5.461 10.395 1.00 0.00 N ATOM 1152 CA ALA A 77 -1.740 -6.375 9.290 1.00 0.00 C ATOM 1153 C ALA A 77 -2.156 -7.758 9.789 1.00 0.00 C ATOM 1154 O ALA A 77 -2.902 -8.468 9.118 1.00 0.00 O ATOM 1155 CB ALA A 77 -0.490 -6.490 8.438 1.00 0.00 C ATOM 0 H ALA A 77 -0.525 -5.200 10.528 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.557 -5.973 8.690 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.675 -7.176 7.612 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.227 -5.509 8.043 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.332 -6.868 9.047 1.00 0.00 H new ATOM 1161 N MET A 78 -1.672 -8.132 10.966 1.00 0.00 N ATOM 1162 CA MET A 78 -1.973 -9.445 11.537 1.00 0.00 C ATOM 1163 C MET A 78 -3.398 -9.535 12.071 1.00 0.00 C ATOM 1164 O MET A 78 -4.061 -10.557 11.907 1.00 0.00 O ATOM 1165 CB MET A 78 -1.001 -9.780 12.673 1.00 0.00 C ATOM 1166 CG MET A 78 0.436 -9.972 12.228 1.00 0.00 C ATOM 1167 SD MET A 78 1.547 -10.318 13.607 1.00 0.00 S ATOM 1168 CE MET A 78 0.794 -11.792 14.291 1.00 0.00 C ATOM 0 H MET A 78 -1.070 -7.548 11.546 1.00 0.00 H new ATOM 0 HA MET A 78 -1.863 -10.163 10.724 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.036 -8.981 13.413 1.00 0.00 H new ATOM 0 HB3 MET A 78 -1.340 -10.689 13.169 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.485 -10.792 11.512 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.775 -9.075 11.709 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.534 -12.343 14.871 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.036 -11.510 14.938 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.425 -12.421 13.481 1.00 0.00 H new ATOM 1178 N LYS A 79 -3.874 -8.489 12.726 1.00 0.00 N ATOM 1179 CA LYS A 79 -5.222 -8.527 13.269 1.00 0.00 C ATOM 1180 C LYS A 79 -6.229 -7.914 12.304 1.00 0.00 C ATOM 1181 O LYS A 79 -7.438 -7.988 12.527 1.00 0.00 O ATOM 1182 CB LYS A 79 -5.280 -7.866 14.650 1.00 0.00 C ATOM 1183 CG LYS A 79 -4.705 -6.464 14.707 1.00 0.00 C ATOM 1184 CD LYS A 79 -4.428 -6.044 16.142 1.00 0.00 C ATOM 1185 CE LYS A 79 -3.351 -6.920 16.765 1.00 0.00 C ATOM 1186 NZ LYS A 79 -2.975 -6.472 18.132 1.00 0.00 N ATOM 0 H LYS A 79 -3.362 -7.623 12.892 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.500 -9.573 13.397 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.319 -7.831 14.978 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.742 -8.494 15.361 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.782 -6.422 14.128 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.402 -5.763 14.248 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.113 -5.001 16.166 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.344 -6.114 16.729 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.705 -7.950 16.808 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.467 -6.913 16.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.941 -6.377 18.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.419 -5.553 18.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.301 -7.172 18.829 1.00 0.00 H new ATOM 1200 N HIS A 80 -5.732 -7.308 11.228 1.00 0.00 N ATOM 1201 CA HIS A 80 -6.607 -6.756 10.203 1.00 0.00 C ATOM 1202 C HIS A 80 -6.036 -7.029 8.814 1.00 0.00 C ATOM 1203 O HIS A 80 -5.229 -6.251 8.308 1.00 0.00 O ATOM 1204 CB HIS A 80 -6.792 -5.241 10.378 1.00 0.00 C ATOM 1205 CG HIS A 80 -7.041 -4.799 11.785 1.00 0.00 C ATOM 1206 ND1 HIS A 80 -8.265 -4.891 12.406 1.00 0.00 N ATOM 1207 CD2 HIS A 80 -6.197 -4.267 12.694 1.00 0.00 C ATOM 1208 CE1 HIS A 80 -8.162 -4.432 13.640 1.00 0.00 C ATOM 1209 NE2 HIS A 80 -6.916 -4.050 13.839 1.00 0.00 N ATOM 0 H HIS A 80 -4.735 -7.188 11.046 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.577 -7.242 10.308 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -5.902 -4.735 10.005 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -7.627 -4.917 9.757 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -5.149 -4.052 12.546 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -8.962 -4.379 14.363 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -6.547 -3.657 14.705 1.00 0.00 H new ATOM 1218 N GLY A 81 -6.421 -8.152 8.220 1.00 0.00 N ATOM 1219 CA GLY A 81 -6.046 -8.431 6.847 1.00 0.00 C ATOM 1220 C GLY A 81 -5.433 -9.804 6.678 1.00 0.00 C ATOM 1221 O GLY A 81 -6.085 -10.733 6.200 1.00 0.00 O ATOM 0 H GLY A 81 -6.987 -8.875 8.665 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.927 -8.350 6.210 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.337 -7.676 6.508 1.00 0.00 H new ATOM 1225 N ALA A 82 -4.188 -9.939 7.094 1.00 0.00 N ATOM 1226 CA ALA A 82 -3.467 -11.190 6.950 1.00 0.00 C ATOM 1227 C ALA A 82 -3.539 -11.984 8.238 1.00 0.00 C ATOM 1228 O ALA A 82 -3.639 -11.408 9.314 1.00 0.00 O ATOM 1229 CB ALA A 82 -2.013 -10.932 6.585 1.00 0.00 C ATOM 0 H ALA A 82 -3.652 -9.193 7.537 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.932 -11.764 6.148 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.490 -11.883 6.482 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.966 -10.387 5.642 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.540 -10.341 7.369 1.00 0.00 H new ATOM 1235 N ASP A 83 -3.507 -13.298 8.141 1.00 0.00 N ATOM 1236 CA ASP A 83 -3.421 -14.116 9.337 1.00 0.00 C ATOM 1237 C ASP A 83 -1.982 -14.229 9.733 1.00 0.00 C ATOM 1238 O ASP A 83 -1.091 -13.857 8.965 1.00 0.00 O ATOM 1239 CB ASP A 83 -4.031 -15.491 9.150 1.00 0.00 C ATOM 1240 CG ASP A 83 -3.041 -16.521 8.686 1.00 0.00 C ATOM 1241 OD1 ASP A 83 -2.777 -16.596 7.473 1.00 0.00 O ATOM 1242 OD2 ASP A 83 -2.524 -17.260 9.547 1.00 0.00 O ATOM 0 H ASP A 83 -3.539 -13.817 7.263 1.00 0.00 H new ATOM 0 HA ASP A 83 -3.998 -13.632 10.125 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -4.470 -15.818 10.093 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.843 -15.425 8.426 1.00 0.00 H new ATOM 1247 N GLU A 84 -1.744 -14.753 10.910 1.00 0.00 N ATOM 1248 CA GLU A 84 -0.455 -14.680 11.479 1.00 0.00 C ATOM 1249 C GLU A 84 0.517 -15.513 10.675 1.00 0.00 C ATOM 1250 O GLU A 84 1.643 -15.114 10.442 1.00 0.00 O ATOM 1251 CB GLU A 84 -0.526 -15.122 12.936 1.00 0.00 C ATOM 1252 CG GLU A 84 -0.739 -16.611 13.144 1.00 0.00 C ATOM 1253 CD GLU A 84 0.564 -17.368 13.277 1.00 0.00 C ATOM 1254 OE1 GLU A 84 1.462 -16.889 13.997 1.00 0.00 O ATOM 1255 OE2 GLU A 84 0.702 -18.440 12.657 1.00 0.00 O ATOM 0 H GLU A 84 -2.440 -15.233 11.481 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.090 -13.653 11.455 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.398 -14.829 13.435 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.337 -14.582 13.425 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.340 -16.767 14.040 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.306 -17.015 12.305 1.00 0.00 H new ATOM 1262 N THR A 85 0.049 -16.647 10.209 1.00 0.00 N ATOM 1263 CA THR A 85 0.881 -17.545 9.443 1.00 0.00 C ATOM 1264 C THR A 85 1.348 -16.857 8.147 1.00 0.00 C ATOM 1265 O THR A 85 2.490 -17.029 7.729 1.00 0.00 O ATOM 1266 CB THR A 85 0.151 -18.881 9.162 1.00 0.00 C ATOM 1267 OG1 THR A 85 1.093 -19.961 9.080 1.00 0.00 O ATOM 1268 CG2 THR A 85 -0.665 -18.842 7.883 1.00 0.00 C ATOM 0 H THR A 85 -0.908 -16.971 10.348 1.00 0.00 H new ATOM 0 HA THR A 85 1.767 -17.790 10.029 1.00 0.00 H new ATOM 0 HB THR A 85 -0.534 -19.039 9.995 1.00 0.00 H new ATOM 0 HG1 THR A 85 0.616 -20.799 8.904 1.00 0.00 H new ATOM 0 HG21 THR A 85 -1.155 -19.804 7.735 1.00 0.00 H new ATOM 0 HG22 THR A 85 -1.419 -18.058 7.956 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.008 -18.636 7.038 1.00 0.00 H new ATOM 1276 N MET A 86 0.501 -15.990 7.575 1.00 0.00 N ATOM 1277 CA MET A 86 0.810 -15.339 6.323 1.00 0.00 C ATOM 1278 C MET A 86 1.655 -14.106 6.598 1.00 0.00 C ATOM 1279 O MET A 86 2.624 -13.815 5.889 1.00 0.00 O ATOM 1280 CB MET A 86 -0.499 -14.984 5.609 1.00 0.00 C ATOM 1281 CG MET A 86 -0.368 -13.859 4.611 1.00 0.00 C ATOM 1282 SD MET A 86 0.712 -14.264 3.224 1.00 0.00 S ATOM 1283 CE MET A 86 0.661 -12.729 2.302 1.00 0.00 C ATOM 0 H MET A 86 -0.403 -15.732 7.972 1.00 0.00 H new ATOM 0 HA MET A 86 1.382 -16.001 5.673 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.873 -15.870 5.096 1.00 0.00 H new ATOM 0 HB3 MET A 86 -1.245 -14.709 6.355 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.357 -13.602 4.231 1.00 0.00 H new ATOM 0 HG3 MET A 86 0.018 -12.975 5.118 1.00 0.00 H new ATOM 0 HE1 MET A 86 0.686 -12.945 1.234 1.00 0.00 H new ATOM 0 HE2 MET A 86 -0.256 -12.191 2.542 1.00 0.00 H new ATOM 0 HE3 MET A 86 1.522 -12.116 2.568 1.00 0.00 H new ATOM 1293 N ALA A 87 1.298 -13.406 7.661 1.00 0.00 N ATOM 1294 CA ALA A 87 2.089 -12.295 8.148 1.00 0.00 C ATOM 1295 C ALA A 87 3.500 -12.776 8.470 1.00 0.00 C ATOM 1296 O ALA A 87 4.481 -12.105 8.174 1.00 0.00 O ATOM 1297 CB ALA A 87 1.430 -11.702 9.380 1.00 0.00 C ATOM 0 H ALA A 87 0.456 -13.592 8.206 1.00 0.00 H new ATOM 0 HA ALA A 87 2.151 -11.523 7.381 1.00 0.00 H new ATOM 0 HB1 ALA A 87 2.027 -10.866 9.745 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.431 -11.350 9.124 1.00 0.00 H new ATOM 0 HB3 ALA A 87 1.359 -12.463 10.157 1.00 0.00 H new ATOM 1303 N GLN A 88 3.579 -13.975 9.033 1.00 0.00 N ATOM 1304 CA GLN A 88 4.844 -14.580 9.427 1.00 0.00 C ATOM 1305 C GLN A 88 5.653 -15.015 8.205 1.00 0.00 C ATOM 1306 O GLN A 88 6.876 -15.123 8.273 1.00 0.00 O ATOM 1307 CB GLN A 88 4.599 -15.765 10.363 1.00 0.00 C ATOM 1308 CG GLN A 88 4.736 -15.427 11.844 1.00 0.00 C ATOM 1309 CD GLN A 88 4.023 -14.146 12.250 1.00 0.00 C ATOM 1310 OE1 GLN A 88 4.599 -13.063 12.177 1.00 0.00 O ATOM 1311 NE2 GLN A 88 2.771 -14.245 12.691 1.00 0.00 N ATOM 0 H GLN A 88 2.765 -14.557 9.230 1.00 0.00 H new ATOM 0 HA GLN A 88 5.426 -13.829 9.961 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.598 -16.157 10.182 1.00 0.00 H new ATOM 0 HB3 GLN A 88 5.302 -16.561 10.116 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.341 -16.254 12.434 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.794 -15.337 12.090 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.318 -15.158 12.741 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.264 -13.408 12.979 1.00 0.00 H new ATOM 1320 N GLN A 89 4.972 -15.254 7.083 1.00 0.00 N ATOM 1321 CA GLN A 89 5.681 -15.526 5.830 1.00 0.00 C ATOM 1322 C GLN A 89 6.209 -14.212 5.255 1.00 0.00 C ATOM 1323 O GLN A 89 7.207 -14.192 4.536 1.00 0.00 O ATOM 1324 CB GLN A 89 4.782 -16.211 4.772 1.00 0.00 C ATOM 1325 CG GLN A 89 3.922 -17.356 5.285 1.00 0.00 C ATOM 1326 CD GLN A 89 4.702 -18.592 5.686 1.00 0.00 C ATOM 1327 OE1 GLN A 89 5.860 -18.522 6.090 1.00 0.00 O ATOM 1328 NE2 GLN A 89 4.046 -19.736 5.603 1.00 0.00 N ATOM 0 H GLN A 89 3.954 -15.265 7.014 1.00 0.00 H new ATOM 0 HA GLN A 89 6.497 -16.210 6.062 1.00 0.00 H new ATOM 0 HB2 GLN A 89 4.128 -15.457 4.333 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.417 -16.588 3.970 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.349 -17.008 6.144 1.00 0.00 H new ATOM 0 HG3 GLN A 89 3.203 -17.629 4.512 1.00 0.00 H new ATOM 0 HE21 GLN A 89 3.085 -19.749 5.262 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.501 -20.606 5.880 1.00 0.00 H new ATOM 1337 N LEU A 90 5.547 -13.111 5.604 1.00 0.00 N ATOM 1338 CA LEU A 90 5.880 -11.805 5.049 1.00 0.00 C ATOM 1339 C LEU A 90 6.984 -11.122 5.860 1.00 0.00 C ATOM 1340 O LEU A 90 7.934 -10.577 5.299 1.00 0.00 O ATOM 1341 CB LEU A 90 4.625 -10.919 5.020 1.00 0.00 C ATOM 1342 CG LEU A 90 4.808 -9.512 4.441 1.00 0.00 C ATOM 1343 CD1 LEU A 90 4.913 -9.547 2.923 1.00 0.00 C ATOM 1344 CD2 LEU A 90 3.660 -8.613 4.875 1.00 0.00 C ATOM 0 H LEU A 90 4.775 -13.100 6.271 1.00 0.00 H new ATOM 0 HA LEU A 90 6.249 -11.949 4.034 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.856 -11.431 4.441 1.00 0.00 H new ATOM 0 HB3 LEU A 90 4.248 -10.825 6.038 1.00 0.00 H new ATOM 0 HG LEU A 90 5.742 -9.106 4.829 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.042 -8.533 2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.769 -10.155 2.631 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.003 -9.978 2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.801 -7.616 4.458 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.718 -9.027 4.516 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.638 -8.551 5.963 1.00 0.00 H new ATOM 1356 N VAL A 91 6.850 -11.171 7.185 1.00 0.00 N ATOM 1357 CA VAL A 91 7.769 -10.491 8.103 1.00 0.00 C ATOM 1358 C VAL A 91 9.218 -10.933 7.905 1.00 0.00 C ATOM 1359 O VAL A 91 10.149 -10.130 8.032 1.00 0.00 O ATOM 1360 CB VAL A 91 7.363 -10.744 9.573 1.00 0.00 C ATOM 1361 CG1 VAL A 91 6.023 -10.098 9.893 1.00 0.00 C ATOM 1362 CG2 VAL A 91 7.325 -12.229 9.866 1.00 0.00 C ATOM 0 H VAL A 91 6.102 -11.682 7.654 1.00 0.00 H new ATOM 0 HA VAL A 91 7.701 -9.427 7.876 1.00 0.00 H new ATOM 0 HB VAL A 91 8.116 -10.284 10.213 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.764 -10.293 10.934 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.090 -9.022 9.731 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.254 -10.515 9.243 1.00 0.00 H new ATOM 0 HG21 VAL A 91 7.037 -12.388 10.905 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.599 -12.711 9.211 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.311 -12.659 9.693 1.00 0.00 H new ATOM 1372 N ASP A 92 9.398 -12.203 7.565 1.00 0.00 N ATOM 1373 CA ASP A 92 10.721 -12.777 7.390 1.00 0.00 C ATOM 1374 C ASP A 92 11.406 -12.171 6.174 1.00 0.00 C ATOM 1375 O ASP A 92 12.580 -11.793 6.232 1.00 0.00 O ATOM 1376 CB ASP A 92 10.618 -14.303 7.266 1.00 0.00 C ATOM 1377 CG ASP A 92 11.915 -14.942 6.805 1.00 0.00 C ATOM 1378 OD1 ASP A 92 12.817 -15.130 7.650 1.00 0.00 O ATOM 1379 OD2 ASP A 92 12.046 -15.249 5.601 1.00 0.00 O ATOM 0 H ASP A 92 8.634 -12.859 7.404 1.00 0.00 H new ATOM 0 HA ASP A 92 11.329 -12.545 8.265 1.00 0.00 H new ATOM 0 HB2 ASP A 92 10.333 -14.723 8.231 1.00 0.00 H new ATOM 0 HB3 ASP A 92 9.824 -14.553 6.562 1.00 0.00 H new ATOM 1384 N ILE A 93 10.660 -12.045 5.082 1.00 0.00 N ATOM 1385 CA ILE A 93 11.166 -11.388 3.889 1.00 0.00 C ATOM 1386 C ILE A 93 11.415 -9.919 4.176 1.00 0.00 C ATOM 1387 O ILE A 93 12.427 -9.363 3.757 1.00 0.00 O ATOM 1388 CB ILE A 93 10.191 -11.521 2.691 1.00 0.00 C ATOM 1389 CG1 ILE A 93 10.481 -12.780 1.878 1.00 0.00 C ATOM 1390 CG2 ILE A 93 10.271 -10.308 1.778 1.00 0.00 C ATOM 1391 CD1 ILE A 93 10.444 -14.065 2.675 1.00 0.00 C ATOM 0 H ILE A 93 9.704 -12.390 5.001 1.00 0.00 H new ATOM 0 HA ILE A 93 12.099 -11.882 3.616 1.00 0.00 H new ATOM 0 HB ILE A 93 9.186 -11.589 3.107 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.755 -12.849 1.068 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.464 -12.681 1.418 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.576 -10.431 0.948 1.00 0.00 H new ATOM 0 HG22 ILE A 93 10.010 -9.412 2.340 1.00 0.00 H new ATOM 0 HG23 ILE A 93 11.285 -10.210 1.391 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.661 -14.907 2.018 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.190 -14.022 3.469 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.454 -14.193 3.114 1.00 0.00 H new ATOM 1403 N ILE A 94 10.498 -9.304 4.914 1.00 0.00 N ATOM 1404 CA ILE A 94 10.594 -7.885 5.205 1.00 0.00 C ATOM 1405 C ILE A 94 11.930 -7.559 5.853 1.00 0.00 C ATOM 1406 O ILE A 94 12.625 -6.652 5.422 1.00 0.00 O ATOM 1407 CB ILE A 94 9.445 -7.415 6.108 1.00 0.00 C ATOM 1408 CG1 ILE A 94 8.138 -7.465 5.326 1.00 0.00 C ATOM 1409 CG2 ILE A 94 9.703 -6.007 6.636 1.00 0.00 C ATOM 1410 CD1 ILE A 94 6.931 -7.236 6.187 1.00 0.00 C ATOM 0 H ILE A 94 9.684 -9.767 5.319 1.00 0.00 H new ATOM 0 HA ILE A 94 10.519 -7.353 4.257 1.00 0.00 H new ATOM 0 HB ILE A 94 9.377 -8.080 6.969 1.00 0.00 H new ATOM 0 HG12 ILE A 94 8.163 -6.712 4.538 1.00 0.00 H new ATOM 0 HG13 ILE A 94 8.050 -8.435 4.837 1.00 0.00 H new ATOM 0 HG21 ILE A 94 8.873 -5.699 7.273 1.00 0.00 H new ATOM 0 HG22 ILE A 94 10.627 -5.999 7.215 1.00 0.00 H new ATOM 0 HG23 ILE A 94 9.793 -5.315 5.799 1.00 0.00 H new ATOM 0 HD11 ILE A 94 6.032 -7.284 5.573 1.00 0.00 H new ATOM 0 HD12 ILE A 94 6.884 -8.004 6.959 1.00 0.00 H new ATOM 0 HD13 ILE A 94 6.999 -6.254 6.655 1.00 0.00 H new ATOM 1422 N HIS A 95 12.298 -8.336 6.861 1.00 0.00 N ATOM 1423 CA HIS A 95 13.544 -8.101 7.586 1.00 0.00 C ATOM 1424 C HIS A 95 14.768 -8.479 6.753 1.00 0.00 C ATOM 1425 O HIS A 95 15.799 -7.799 6.799 1.00 0.00 O ATOM 1426 CB HIS A 95 13.550 -8.888 8.899 1.00 0.00 C ATOM 1427 CG HIS A 95 12.478 -8.470 9.854 1.00 0.00 C ATOM 1428 ND1 HIS A 95 12.309 -9.045 11.087 1.00 0.00 N ATOM 1429 CD2 HIS A 95 11.500 -7.543 9.737 1.00 0.00 C ATOM 1430 CE1 HIS A 95 11.281 -8.489 11.688 1.00 0.00 C ATOM 1431 NE2 HIS A 95 10.765 -7.574 10.893 1.00 0.00 N ATOM 0 H HIS A 95 11.756 -9.132 7.197 1.00 0.00 H new ATOM 0 HA HIS A 95 13.600 -7.033 7.799 1.00 0.00 H new ATOM 0 HB2 HIS A 95 13.434 -9.949 8.677 1.00 0.00 H new ATOM 0 HB3 HIS A 95 14.521 -8.768 9.380 1.00 0.00 H new ATOM 0 HD2 HIS A 95 11.330 -6.897 8.888 1.00 0.00 H new ATOM 0 HE1 HIS A 95 10.918 -8.741 12.673 1.00 0.00 H new ATOM 0 HE2 HIS A 95 9.956 -6.989 11.102 1.00 0.00 H new ATOM 1440 N GLY A 96 14.640 -9.526 5.950 1.00 0.00 N ATOM 1441 CA GLY A 96 15.792 -10.044 5.242 1.00 0.00 C ATOM 1442 C GLY A 96 16.066 -9.274 3.976 1.00 0.00 C ATOM 1443 O GLY A 96 17.210 -8.930 3.679 1.00 0.00 O ATOM 0 H GLY A 96 13.766 -10.022 5.777 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.667 -10.000 5.891 1.00 0.00 H new ATOM 0 HA3 GLY A 96 15.628 -11.094 5.000 1.00 0.00 H new ATOM 1447 N CYS A 97 15.015 -8.984 3.237 1.00 0.00 N ATOM 1448 CA CYS A 97 15.142 -8.239 2.013 1.00 0.00 C ATOM 1449 C CYS A 97 15.442 -6.772 2.301 1.00 0.00 C ATOM 1450 O CYS A 97 16.160 -6.131 1.541 1.00 0.00 O ATOM 1451 CB CYS A 97 13.889 -8.400 1.164 1.00 0.00 C ATOM 1452 SG CYS A 97 13.504 -10.147 0.782 1.00 0.00 S ATOM 0 H CYS A 97 14.060 -9.257 3.469 1.00 0.00 H new ATOM 0 HA CYS A 97 15.983 -8.637 1.446 1.00 0.00 H new ATOM 0 HB2 CYS A 97 13.043 -7.953 1.686 1.00 0.00 H new ATOM 0 HB3 CYS A 97 14.015 -7.849 0.232 1.00 0.00 H new ATOM 1457 N GLU A 98 14.883 -6.232 3.391 1.00 0.00 N ATOM 1458 CA GLU A 98 15.276 -4.900 3.869 1.00 0.00 C ATOM 1459 C GLU A 98 16.780 -4.847 4.150 1.00 0.00 C ATOM 1460 O GLU A 98 17.443 -3.843 3.864 1.00 0.00 O ATOM 1461 CB GLU A 98 14.497 -4.542 5.137 1.00 0.00 C ATOM 1462 CG GLU A 98 14.786 -3.156 5.686 1.00 0.00 C ATOM 1463 CD GLU A 98 13.946 -2.837 6.906 1.00 0.00 C ATOM 1464 OE1 GLU A 98 12.782 -2.420 6.737 1.00 0.00 O ATOM 1465 OE2 GLU A 98 14.444 -2.994 8.042 1.00 0.00 O ATOM 0 H GLU A 98 14.166 -6.690 3.953 1.00 0.00 H new ATOM 0 HA GLU A 98 15.042 -4.175 3.089 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.430 -4.620 4.927 1.00 0.00 H new ATOM 0 HB3 GLU A 98 14.725 -5.279 5.908 1.00 0.00 H new ATOM 0 HG2 GLU A 98 15.842 -3.083 5.945 1.00 0.00 H new ATOM 0 HG3 GLU A 98 14.595 -2.413 4.911 1.00 0.00 H new ATOM 1472 N LYS A 99 17.315 -5.936 4.696 1.00 0.00 N ATOM 1473 CA LYS A 99 18.751 -6.045 4.930 1.00 0.00 C ATOM 1474 C LYS A 99 19.527 -6.044 3.612 1.00 0.00 C ATOM 1475 O LYS A 99 20.547 -5.370 3.481 1.00 0.00 O ATOM 1476 CB LYS A 99 19.059 -7.317 5.731 1.00 0.00 C ATOM 1477 CG LYS A 99 20.544 -7.641 5.826 1.00 0.00 C ATOM 1478 CD LYS A 99 20.788 -8.910 6.626 1.00 0.00 C ATOM 1479 CE LYS A 99 22.239 -9.357 6.530 1.00 0.00 C ATOM 1480 NZ LYS A 99 22.619 -9.714 5.133 1.00 0.00 N ATOM 0 H LYS A 99 16.777 -6.753 4.984 1.00 0.00 H new ATOM 0 HA LYS A 99 19.069 -5.176 5.506 1.00 0.00 H new ATOM 0 HB2 LYS A 99 18.656 -7.207 6.738 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.542 -8.159 5.270 1.00 0.00 H new ATOM 0 HG2 LYS A 99 20.957 -7.757 4.824 1.00 0.00 H new ATOM 0 HG3 LYS A 99 21.070 -6.808 6.293 1.00 0.00 H new ATOM 0 HD2 LYS A 99 20.527 -8.739 7.670 1.00 0.00 H new ATOM 0 HD3 LYS A 99 20.136 -9.703 6.260 1.00 0.00 H new ATOM 0 HE2 LYS A 99 22.889 -8.560 6.891 1.00 0.00 H new ATOM 0 HE3 LYS A 99 22.398 -10.217 7.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 23.476 -10.303 5.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 21.842 -10.242 4.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 22.804 -8.846 4.591 1.00 0.00 H new ATOM 1494 N SER A 100 19.031 -6.783 2.630 1.00 0.00 N ATOM 1495 CA SER A 100 19.716 -6.913 1.350 1.00 0.00 C ATOM 1496 C SER A 100 19.122 -5.981 0.292 1.00 0.00 C ATOM 1497 O SER A 100 19.229 -6.238 -0.907 1.00 0.00 O ATOM 1498 CB SER A 100 19.646 -8.365 0.883 1.00 0.00 C ATOM 1499 OG SER A 100 20.160 -9.233 1.881 1.00 0.00 O ATOM 0 H SER A 100 18.156 -7.303 2.694 1.00 0.00 H new ATOM 0 HA SER A 100 20.757 -6.622 1.487 1.00 0.00 H new ATOM 0 HB2 SER A 100 18.613 -8.631 0.658 1.00 0.00 H new ATOM 0 HB3 SER A 100 20.215 -8.484 -0.039 1.00 0.00 H new ATOM 0 HG SER A 100 20.107 -10.160 1.567 1.00 0.00 H new ATOM 1505 N ALA A 101 18.507 -4.895 0.740 1.00 0.00 N ATOM 1506 CA ALA A 101 17.927 -3.917 -0.170 1.00 0.00 C ATOM 1507 C ALA A 101 19.017 -3.055 -0.797 1.00 0.00 C ATOM 1508 O ALA A 101 20.047 -2.799 -0.171 1.00 0.00 O ATOM 1509 CB ALA A 101 16.914 -3.051 0.566 1.00 0.00 C ATOM 0 H ALA A 101 18.397 -4.669 1.729 1.00 0.00 H new ATOM 0 HA ALA A 101 17.413 -4.448 -0.971 1.00 0.00 H new ATOM 0 HB1 ALA A 101 16.487 -2.324 -0.125 1.00 0.00 H new ATOM 0 HB2 ALA A 101 16.120 -3.681 0.966 1.00 0.00 H new ATOM 0 HB3 ALA A 101 17.409 -2.528 1.384 1.00 0.00 H new ATOM 1515 N PRO A 102 18.812 -2.602 -2.042 1.00 0.00 N ATOM 1516 CA PRO A 102 19.783 -1.763 -2.748 1.00 0.00 C ATOM 1517 C PRO A 102 19.971 -0.411 -2.063 1.00 0.00 C ATOM 1518 O PRO A 102 19.059 0.089 -1.403 1.00 0.00 O ATOM 1519 CB PRO A 102 19.164 -1.576 -4.142 1.00 0.00 C ATOM 1520 CG PRO A 102 18.129 -2.641 -4.256 1.00 0.00 C ATOM 1521 CD PRO A 102 17.621 -2.862 -2.863 1.00 0.00 C ATOM 0 HA PRO A 102 20.773 -2.219 -2.773 1.00 0.00 H new ATOM 0 HB2 PRO A 102 18.722 -0.585 -4.247 1.00 0.00 H new ATOM 0 HB3 PRO A 102 19.917 -1.674 -4.924 1.00 0.00 H new ATOM 0 HG2 PRO A 102 17.323 -2.334 -4.923 1.00 0.00 H new ATOM 0 HG3 PRO A 102 18.553 -3.557 -4.668 1.00 0.00 H new ATOM 0 HD2 PRO A 102 16.804 -2.184 -2.617 1.00 0.00 H new ATOM 0 HD3 PRO A 102 17.247 -3.876 -2.724 1.00 0.00 H new ATOM 1529 N PRO A 103 21.165 0.190 -2.201 1.00 0.00 N ATOM 1530 CA PRO A 103 21.486 1.495 -1.608 1.00 0.00 C ATOM 1531 C PRO A 103 20.750 2.654 -2.288 1.00 0.00 C ATOM 1532 O PRO A 103 21.368 3.573 -2.829 1.00 0.00 O ATOM 1533 CB PRO A 103 23.003 1.628 -1.812 1.00 0.00 C ATOM 1534 CG PRO A 103 23.474 0.274 -2.221 1.00 0.00 C ATOM 1535 CD PRO A 103 22.314 -0.369 -2.920 1.00 0.00 C ATOM 0 HA PRO A 103 21.179 1.543 -0.563 1.00 0.00 H new ATOM 0 HB2 PRO A 103 23.232 2.370 -2.577 1.00 0.00 H new ATOM 0 HB3 PRO A 103 23.495 1.953 -0.895 1.00 0.00 H new ATOM 0 HG2 PRO A 103 24.338 0.344 -2.881 1.00 0.00 H new ATOM 0 HG3 PRO A 103 23.781 -0.311 -1.354 1.00 0.00 H new ATOM 0 HD2 PRO A 103 22.290 -0.120 -3.981 1.00 0.00 H new ATOM 0 HD3 PRO A 103 22.348 -1.456 -2.849 1.00 0.00 H new ATOM 1543 N ASN A 104 19.430 2.590 -2.266 1.00 0.00 N ATOM 1544 CA ASN A 104 18.586 3.667 -2.764 1.00 0.00 C ATOM 1545 C ASN A 104 17.682 4.141 -1.640 1.00 0.00 C ATOM 1546 O ASN A 104 16.871 3.370 -1.120 1.00 0.00 O ATOM 1547 CB ASN A 104 17.740 3.195 -3.954 1.00 0.00 C ATOM 1548 CG ASN A 104 18.572 2.890 -5.186 1.00 0.00 C ATOM 1549 OD1 ASN A 104 19.601 3.520 -5.436 1.00 0.00 O ATOM 1550 ND2 ASN A 104 18.139 1.909 -5.960 1.00 0.00 N ATOM 0 H ASN A 104 18.911 1.791 -1.903 1.00 0.00 H new ATOM 0 HA ASN A 104 19.218 4.486 -3.106 1.00 0.00 H new ATOM 0 HB2 ASN A 104 17.184 2.302 -3.667 1.00 0.00 H new ATOM 0 HB3 ASN A 104 17.006 3.963 -4.199 1.00 0.00 H new ATOM 0 HD21 ASN A 104 18.662 1.651 -6.797 1.00 0.00 H new ATOM 0 HD22 ASN A 104 17.282 1.410 -5.720 1.00 0.00 H new ATOM 1557 N ASP A 105 17.842 5.392 -1.238 1.00 0.00 N ATOM 1558 CA ASP A 105 17.080 5.923 -0.118 1.00 0.00 C ATOM 1559 C ASP A 105 15.690 6.341 -0.549 1.00 0.00 C ATOM 1560 O ASP A 105 15.484 7.458 -1.023 1.00 0.00 O ATOM 1561 CB ASP A 105 17.781 7.115 0.534 1.00 0.00 C ATOM 1562 CG ASP A 105 16.986 7.662 1.710 1.00 0.00 C ATOM 1563 OD1 ASP A 105 17.095 7.094 2.816 1.00 0.00 O ATOM 1564 OD2 ASP A 105 16.239 8.656 1.538 1.00 0.00 O ATOM 0 H ASP A 105 18.488 6.055 -1.667 1.00 0.00 H new ATOM 0 HA ASP A 105 17.005 5.118 0.613 1.00 0.00 H new ATOM 0 HB2 ASP A 105 18.772 6.813 0.874 1.00 0.00 H new ATOM 0 HB3 ASP A 105 17.924 7.902 -0.206 1.00 0.00 H new ATOM 1569 N ASP A 106 14.741 5.438 -0.413 1.00 0.00 N ATOM 1570 CA ASP A 106 13.355 5.798 -0.595 1.00 0.00 C ATOM 1571 C ASP A 106 12.530 5.306 0.576 1.00 0.00 C ATOM 1572 O ASP A 106 12.131 4.142 0.634 1.00 0.00 O ATOM 1573 CB ASP A 106 12.817 5.223 -1.901 1.00 0.00 C ATOM 1574 CG ASP A 106 13.187 6.060 -3.106 1.00 0.00 C ATOM 1575 OD1 ASP A 106 12.570 7.130 -3.296 1.00 0.00 O ATOM 1576 OD2 ASP A 106 14.073 5.652 -3.884 1.00 0.00 O ATOM 0 H ASP A 106 14.904 4.459 -0.179 1.00 0.00 H new ATOM 0 HA ASP A 106 13.283 6.885 -0.644 1.00 0.00 H new ATOM 0 HB2 ASP A 106 13.203 4.212 -2.034 1.00 0.00 H new ATOM 0 HB3 ASP A 106 11.732 5.144 -1.838 1.00 0.00 H new ATOM 1581 N LYS A 107 12.295 6.225 1.500 1.00 0.00 N ATOM 1582 CA LYS A 107 11.454 5.995 2.681 1.00 0.00 C ATOM 1583 C LYS A 107 10.146 5.220 2.412 1.00 0.00 C ATOM 1584 O LYS A 107 9.844 4.280 3.141 1.00 0.00 O ATOM 1585 CB LYS A 107 11.152 7.314 3.423 1.00 0.00 C ATOM 1586 CG LYS A 107 10.589 8.456 2.572 1.00 0.00 C ATOM 1587 CD LYS A 107 11.683 9.246 1.856 1.00 0.00 C ATOM 1588 CE LYS A 107 12.799 9.666 2.809 1.00 0.00 C ATOM 1589 NZ LYS A 107 13.969 10.239 2.089 1.00 0.00 N ATOM 0 H LYS A 107 12.685 7.167 1.457 1.00 0.00 H new ATOM 0 HA LYS A 107 12.054 5.344 3.317 1.00 0.00 H new ATOM 0 HB2 LYS A 107 10.443 7.102 4.224 1.00 0.00 H new ATOM 0 HB3 LYS A 107 12.072 7.660 3.895 1.00 0.00 H new ATOM 0 HG2 LYS A 107 9.898 8.048 1.834 1.00 0.00 H new ATOM 0 HG3 LYS A 107 10.015 9.130 3.208 1.00 0.00 H new ATOM 0 HD2 LYS A 107 12.101 8.640 1.052 1.00 0.00 H new ATOM 0 HD3 LYS A 107 11.248 10.132 1.394 1.00 0.00 H new ATOM 0 HE2 LYS A 107 12.414 10.402 3.515 1.00 0.00 H new ATOM 0 HE3 LYS A 107 13.121 8.803 3.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 14.360 11.031 2.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 14.697 9.506 1.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 13.668 10.581 1.154 1.00 0.00 H new ATOM 1603 N CYS A 108 9.349 5.592 1.415 1.00 0.00 N ATOM 1604 CA CYS A 108 8.112 4.863 1.168 1.00 0.00 C ATOM 1605 C CYS A 108 8.335 3.626 0.287 1.00 0.00 C ATOM 1606 O CYS A 108 7.570 2.668 0.367 1.00 0.00 O ATOM 1607 CB CYS A 108 7.072 5.793 0.536 1.00 0.00 C ATOM 1608 SG CYS A 108 5.389 5.103 0.437 1.00 0.00 S ATOM 0 H CYS A 108 9.530 6.371 0.782 1.00 0.00 H new ATOM 0 HA CYS A 108 7.741 4.508 2.129 1.00 0.00 H new ATOM 0 HB2 CYS A 108 7.037 6.719 1.110 1.00 0.00 H new ATOM 0 HB3 CYS A 108 7.402 6.054 -0.469 1.00 0.00 H new ATOM 1613 N MET A 109 9.398 3.620 -0.519 1.00 0.00 N ATOM 1614 CA MET A 109 9.550 2.587 -1.547 1.00 0.00 C ATOM 1615 C MET A 109 10.206 1.286 -1.062 1.00 0.00 C ATOM 1616 O MET A 109 9.965 0.215 -1.634 1.00 0.00 O ATOM 1617 CB MET A 109 10.346 3.115 -2.731 1.00 0.00 C ATOM 1618 CG MET A 109 9.539 3.172 -4.008 1.00 0.00 C ATOM 1619 SD MET A 109 8.930 1.560 -4.537 1.00 0.00 S ATOM 1620 CE MET A 109 10.461 0.739 -4.976 1.00 0.00 C ATOM 0 H MET A 109 10.154 4.304 -0.483 1.00 0.00 H new ATOM 0 HA MET A 109 8.528 2.340 -1.836 1.00 0.00 H new ATOM 0 HB2 MET A 109 10.716 4.113 -2.497 1.00 0.00 H new ATOM 0 HB3 MET A 109 11.218 2.480 -2.887 1.00 0.00 H new ATOM 0 HG2 MET A 109 8.693 3.844 -3.865 1.00 0.00 H new ATOM 0 HG3 MET A 109 10.154 3.598 -4.800 1.00 0.00 H new ATOM 0 HE1 MET A 109 10.378 0.328 -5.982 1.00 0.00 H new ATOM 0 HE2 MET A 109 11.281 1.457 -4.944 1.00 0.00 H new ATOM 0 HE3 MET A 109 10.657 -0.068 -4.270 1.00 0.00 H new ATOM 1630 N LYS A 110 11.033 1.366 -0.025 1.00 0.00 N ATOM 1631 CA LYS A 110 11.861 0.206 0.368 1.00 0.00 C ATOM 1632 C LYS A 110 11.004 -1.012 0.651 1.00 0.00 C ATOM 1633 O LYS A 110 11.302 -2.127 0.223 1.00 0.00 O ATOM 1634 CB LYS A 110 12.753 0.470 1.593 1.00 0.00 C ATOM 1635 CG LYS A 110 12.044 0.891 2.871 1.00 0.00 C ATOM 1636 CD LYS A 110 12.135 2.382 3.096 1.00 0.00 C ATOM 1637 CE LYS A 110 12.028 2.744 4.572 1.00 0.00 C ATOM 1638 NZ LYS A 110 13.118 2.132 5.375 1.00 0.00 N ATOM 0 H LYS A 110 11.155 2.197 0.554 1.00 0.00 H new ATOM 0 HA LYS A 110 12.512 0.024 -0.487 1.00 0.00 H new ATOM 0 HB2 LYS A 110 13.323 -0.435 1.801 1.00 0.00 H new ATOM 0 HB3 LYS A 110 13.472 1.246 1.330 1.00 0.00 H new ATOM 0 HG2 LYS A 110 10.996 0.594 2.821 1.00 0.00 H new ATOM 0 HG3 LYS A 110 12.483 0.367 3.720 1.00 0.00 H new ATOM 0 HD2 LYS A 110 13.081 2.751 2.700 1.00 0.00 H new ATOM 0 HD3 LYS A 110 11.340 2.881 2.542 1.00 0.00 H new ATOM 0 HE2 LYS A 110 12.061 3.828 4.683 1.00 0.00 H new ATOM 0 HE3 LYS A 110 11.064 2.413 4.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 13.324 2.735 6.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 12.822 1.190 5.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 13.972 2.042 4.789 1.00 0.00 H new ATOM 1652 N THR A 111 9.955 -0.778 1.397 1.00 0.00 N ATOM 1653 CA THR A 111 8.986 -1.793 1.733 1.00 0.00 C ATOM 1654 C THR A 111 8.332 -2.447 0.495 1.00 0.00 C ATOM 1655 O THR A 111 7.739 -3.522 0.611 1.00 0.00 O ATOM 1656 CB THR A 111 7.950 -1.177 2.695 1.00 0.00 C ATOM 1657 OG1 THR A 111 7.931 -1.919 3.924 1.00 0.00 O ATOM 1658 CG2 THR A 111 6.536 -1.114 2.107 1.00 0.00 C ATOM 0 H THR A 111 9.745 0.137 1.795 1.00 0.00 H new ATOM 0 HA THR A 111 9.499 -2.616 2.230 1.00 0.00 H new ATOM 0 HB THR A 111 8.261 -0.147 2.873 1.00 0.00 H new ATOM 0 HG1 THR A 111 7.273 -1.525 4.534 1.00 0.00 H new ATOM 0 HG21 THR A 111 5.858 -0.670 2.836 1.00 0.00 H new ATOM 0 HG22 THR A 111 6.545 -0.506 1.203 1.00 0.00 H new ATOM 0 HG23 THR A 111 6.198 -2.121 1.864 1.00 0.00 H new ATOM 1666 N ILE A 112 8.481 -1.854 -0.698 1.00 0.00 N ATOM 1667 CA ILE A 112 7.947 -2.486 -1.897 1.00 0.00 C ATOM 1668 C ILE A 112 9.022 -3.388 -2.484 1.00 0.00 C ATOM 1669 O ILE A 112 8.731 -4.485 -2.964 1.00 0.00 O ATOM 1670 CB ILE A 112 7.449 -1.495 -2.976 1.00 0.00 C ATOM 1671 CG1 ILE A 112 6.195 -0.745 -2.513 1.00 0.00 C ATOM 1672 CG2 ILE A 112 7.160 -2.228 -4.276 1.00 0.00 C ATOM 1673 CD1 ILE A 112 6.476 0.414 -1.582 1.00 0.00 C ATOM 0 H ILE A 112 8.954 -0.963 -0.850 1.00 0.00 H new ATOM 0 HA ILE A 112 7.066 -3.050 -1.592 1.00 0.00 H new ATOM 0 HB ILE A 112 8.241 -0.765 -3.142 1.00 0.00 H new ATOM 0 HG12 ILE A 112 5.663 -0.373 -3.389 1.00 0.00 H new ATOM 0 HG13 ILE A 112 5.530 -1.447 -2.011 1.00 0.00 H new ATOM 0 HG21 ILE A 112 6.811 -1.517 -5.025 1.00 0.00 H new ATOM 0 HG22 ILE A 112 8.070 -2.711 -4.631 1.00 0.00 H new ATOM 0 HG23 ILE A 112 6.392 -2.982 -4.105 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.537 0.891 -1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.979 0.048 -0.687 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.115 1.139 -2.086 1.00 0.00 H new ATOM 1685 N ASP A 113 10.276 -2.936 -2.404 1.00 0.00 N ATOM 1686 CA ASP A 113 11.404 -3.753 -2.836 1.00 0.00 C ATOM 1687 C ASP A 113 11.466 -5.042 -2.034 1.00 0.00 C ATOM 1688 O ASP A 113 11.817 -6.096 -2.560 1.00 0.00 O ATOM 1689 CB ASP A 113 12.732 -3.005 -2.696 1.00 0.00 C ATOM 1690 CG ASP A 113 12.987 -2.036 -3.833 1.00 0.00 C ATOM 1691 OD1 ASP A 113 13.223 -2.498 -4.970 1.00 0.00 O ATOM 1692 OD2 ASP A 113 12.967 -0.811 -3.595 1.00 0.00 O ATOM 0 H ASP A 113 10.531 -2.015 -2.046 1.00 0.00 H new ATOM 0 HA ASP A 113 11.249 -3.984 -3.890 1.00 0.00 H new ATOM 0 HB2 ASP A 113 12.738 -2.459 -1.752 1.00 0.00 H new ATOM 0 HB3 ASP A 113 13.547 -3.727 -2.652 1.00 0.00 H new ATOM 1697 N VAL A 114 11.108 -4.975 -0.760 1.00 0.00 N ATOM 1698 CA VAL A 114 11.131 -6.156 0.064 1.00 0.00 C ATOM 1699 C VAL A 114 9.852 -6.975 -0.183 1.00 0.00 C ATOM 1700 O VAL A 114 9.882 -8.203 -0.221 1.00 0.00 O ATOM 1701 CB VAL A 114 11.334 -5.821 1.558 1.00 0.00 C ATOM 1702 CG1 VAL A 114 12.582 -4.979 1.757 1.00 0.00 C ATOM 1703 CG2 VAL A 114 10.138 -5.126 2.142 1.00 0.00 C ATOM 0 H VAL A 114 10.803 -4.124 -0.287 1.00 0.00 H new ATOM 0 HA VAL A 114 11.991 -6.763 -0.218 1.00 0.00 H new ATOM 0 HB VAL A 114 11.459 -6.766 2.086 1.00 0.00 H new ATOM 0 HG11 VAL A 114 12.705 -4.755 2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 114 13.453 -5.529 1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 114 12.486 -4.048 1.198 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.322 -4.908 3.194 1.00 0.00 H new ATOM 0 HG22 VAL A 114 9.960 -4.195 1.604 1.00 0.00 H new ATOM 0 HG23 VAL A 114 9.263 -5.770 2.052 1.00 0.00 H new ATOM 1713 N ALA A 115 8.741 -6.284 -0.426 1.00 0.00 N ATOM 1714 CA ALA A 115 7.485 -6.948 -0.788 1.00 0.00 C ATOM 1715 C ALA A 115 7.627 -7.760 -2.074 1.00 0.00 C ATOM 1716 O ALA A 115 7.222 -8.929 -2.144 1.00 0.00 O ATOM 1717 CB ALA A 115 6.380 -5.927 -0.950 1.00 0.00 C ATOM 0 H ALA A 115 8.682 -5.267 -0.380 1.00 0.00 H new ATOM 0 HA ALA A 115 7.232 -7.634 0.020 1.00 0.00 H new ATOM 0 HB1 ALA A 115 5.453 -6.434 -1.219 1.00 0.00 H new ATOM 0 HB2 ALA A 115 6.241 -5.389 -0.012 1.00 0.00 H new ATOM 0 HB3 ALA A 115 6.649 -5.221 -1.736 1.00 0.00 H new ATOM 1723 N MET A 116 8.211 -7.147 -3.097 1.00 0.00 N ATOM 1724 CA MET A 116 8.407 -7.851 -4.359 1.00 0.00 C ATOM 1725 C MET A 116 9.454 -8.960 -4.199 1.00 0.00 C ATOM 1726 O MET A 116 9.480 -9.927 -4.959 1.00 0.00 O ATOM 1727 CB MET A 116 8.724 -6.890 -5.532 1.00 0.00 C ATOM 1728 CG MET A 116 9.991 -6.046 -5.425 1.00 0.00 C ATOM 1729 SD MET A 116 11.506 -7.010 -5.580 1.00 0.00 S ATOM 1730 CE MET A 116 12.733 -5.708 -5.563 1.00 0.00 C ATOM 0 H MET A 116 8.551 -6.185 -3.081 1.00 0.00 H new ATOM 0 HA MET A 116 7.463 -8.327 -4.625 1.00 0.00 H new ATOM 0 HB2 MET A 116 8.790 -7.482 -6.445 1.00 0.00 H new ATOM 0 HB3 MET A 116 7.878 -6.214 -5.652 1.00 0.00 H new ATOM 0 HG2 MET A 116 9.975 -5.280 -6.200 1.00 0.00 H new ATOM 0 HG3 MET A 116 9.994 -5.529 -4.466 1.00 0.00 H new ATOM 0 HE1 MET A 116 13.496 -5.917 -6.313 1.00 0.00 H new ATOM 0 HE2 MET A 116 12.255 -4.755 -5.788 1.00 0.00 H new ATOM 0 HE3 MET A 116 13.196 -5.658 -4.578 1.00 0.00 H new ATOM 1740 N CYS A 117 10.265 -8.830 -3.162 1.00 0.00 N ATOM 1741 CA CYS A 117 11.232 -9.846 -2.761 1.00 0.00 C ATOM 1742 C CYS A 117 10.507 -11.030 -2.125 1.00 0.00 C ATOM 1743 O CYS A 117 11.000 -12.159 -2.134 1.00 0.00 O ATOM 1744 CB CYS A 117 12.234 -9.208 -1.796 1.00 0.00 C ATOM 1745 SG CYS A 117 13.591 -10.285 -1.242 1.00 0.00 S ATOM 0 H CYS A 117 10.272 -8.004 -2.564 1.00 0.00 H new ATOM 0 HA CYS A 117 11.774 -10.225 -3.627 1.00 0.00 H new ATOM 0 HB2 CYS A 117 12.665 -8.330 -2.277 1.00 0.00 H new ATOM 0 HB3 CYS A 117 11.692 -8.857 -0.918 1.00 0.00 H new ATOM 1750 N PHE A 118 9.307 -10.771 -1.618 1.00 0.00 N ATOM 1751 CA PHE A 118 8.507 -11.816 -0.991 1.00 0.00 C ATOM 1752 C PHE A 118 7.800 -12.675 -2.032 1.00 0.00 C ATOM 1753 O PHE A 118 7.829 -13.900 -1.935 1.00 0.00 O ATOM 1754 CB PHE A 118 7.500 -11.236 0.020 1.00 0.00 C ATOM 1755 CG PHE A 118 6.450 -12.216 0.497 1.00 0.00 C ATOM 1756 CD1 PHE A 118 6.805 -13.348 1.221 1.00 0.00 C ATOM 1757 CD2 PHE A 118 5.106 -12.004 0.218 1.00 0.00 C ATOM 1758 CE1 PHE A 118 5.843 -14.242 1.652 1.00 0.00 C ATOM 1759 CE2 PHE A 118 4.144 -12.898 0.648 1.00 0.00 C ATOM 1760 CZ PHE A 118 4.512 -14.018 1.364 1.00 0.00 C ATOM 0 H PHE A 118 8.868 -9.850 -1.629 1.00 0.00 H new ATOM 0 HA PHE A 118 9.195 -12.456 -0.439 1.00 0.00 H new ATOM 0 HB2 PHE A 118 8.048 -10.862 0.885 1.00 0.00 H new ATOM 0 HB3 PHE A 118 7.000 -10.381 -0.435 1.00 0.00 H new ATOM 0 HD1 PHE A 118 7.845 -13.531 1.449 1.00 0.00 H new ATOM 0 HD2 PHE A 118 4.809 -11.130 -0.342 1.00 0.00 H new ATOM 0 HE1 PHE A 118 6.133 -15.117 2.215 1.00 0.00 H new ATOM 0 HE2 PHE A 118 3.103 -12.720 0.423 1.00 0.00 H new ATOM 0 HZ PHE A 118 3.760 -14.718 1.698 1.00 0.00 H new ATOM 1770 N LYS A 119 7.163 -12.067 -3.035 1.00 0.00 N ATOM 1771 CA LYS A 119 6.528 -12.896 -4.066 1.00 0.00 C ATOM 1772 C LYS A 119 7.608 -13.589 -4.894 1.00 0.00 C ATOM 1773 O LYS A 119 7.373 -14.649 -5.472 1.00 0.00 O ATOM 1774 CB LYS A 119 5.507 -12.136 -4.949 1.00 0.00 C ATOM 1775 CG LYS A 119 5.893 -11.980 -6.422 1.00 0.00 C ATOM 1776 CD LYS A 119 6.921 -10.886 -6.644 1.00 0.00 C ATOM 1777 CE LYS A 119 6.381 -9.527 -6.246 1.00 0.00 C ATOM 1778 NZ LYS A 119 5.248 -9.090 -7.105 1.00 0.00 N ATOM 0 H LYS A 119 7.073 -11.058 -3.156 1.00 0.00 H new ATOM 0 HA LYS A 119 5.927 -13.648 -3.554 1.00 0.00 H new ATOM 0 HB2 LYS A 119 4.550 -12.656 -4.896 1.00 0.00 H new ATOM 0 HB3 LYS A 119 5.355 -11.144 -4.525 1.00 0.00 H new ATOM 0 HG2 LYS A 119 6.289 -12.926 -6.792 1.00 0.00 H new ATOM 0 HG3 LYS A 119 5.000 -11.758 -7.006 1.00 0.00 H new ATOM 0 HD2 LYS A 119 7.818 -11.106 -6.066 1.00 0.00 H new ATOM 0 HD3 LYS A 119 7.215 -10.869 -7.694 1.00 0.00 H new ATOM 0 HE2 LYS A 119 6.053 -9.560 -5.207 1.00 0.00 H new ATOM 0 HE3 LYS A 119 7.182 -8.790 -6.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 5.220 -8.051 -7.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 5.376 -9.466 -8.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 4.355 -9.447 -6.710 1.00 0.00 H new ATOM 1792 N LYS A 120 8.796 -12.981 -4.932 1.00 0.00 N ATOM 1793 CA LYS A 120 9.971 -13.636 -5.485 1.00 0.00 C ATOM 1794 C LYS A 120 10.189 -14.989 -4.806 1.00 0.00 C ATOM 1795 O LYS A 120 10.251 -16.030 -5.468 1.00 0.00 O ATOM 1796 CB LYS A 120 11.183 -12.759 -5.272 1.00 0.00 C ATOM 1797 CG LYS A 120 12.157 -12.828 -6.418 1.00 0.00 C ATOM 1798 CD LYS A 120 12.703 -11.456 -6.717 1.00 0.00 C ATOM 1799 CE LYS A 120 11.592 -10.478 -7.070 1.00 0.00 C ATOM 1800 NZ LYS A 120 12.120 -9.267 -7.754 1.00 0.00 N ATOM 0 H LYS A 120 8.964 -12.037 -4.585 1.00 0.00 H new ATOM 0 HA LYS A 120 9.820 -13.798 -6.552 1.00 0.00 H new ATOM 0 HB2 LYS A 120 10.860 -11.727 -5.136 1.00 0.00 H new ATOM 0 HB3 LYS A 120 11.687 -13.059 -4.353 1.00 0.00 H new ATOM 0 HG2 LYS A 120 12.973 -13.507 -6.171 1.00 0.00 H new ATOM 0 HG3 LYS A 120 11.663 -13.232 -7.302 1.00 0.00 H new ATOM 0 HD2 LYS A 120 13.254 -11.086 -5.852 1.00 0.00 H new ATOM 0 HD3 LYS A 120 13.411 -11.517 -7.543 1.00 0.00 H new ATOM 0 HE2 LYS A 120 10.864 -10.971 -7.714 1.00 0.00 H new ATOM 0 HE3 LYS A 120 11.066 -10.183 -6.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 11.992 -8.438 -7.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 13.132 -9.395 -7.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 11.606 -9.120 -8.646 1.00 0.00 H new ATOM 1814 N GLU A 121 10.291 -14.959 -3.477 1.00 0.00 N ATOM 1815 CA GLU A 121 10.352 -16.186 -2.678 1.00 0.00 C ATOM 1816 C GLU A 121 9.112 -17.079 -2.873 1.00 0.00 C ATOM 1817 O GLU A 121 9.247 -18.296 -2.942 1.00 0.00 O ATOM 1818 CB GLU A 121 10.523 -15.867 -1.189 1.00 0.00 C ATOM 1819 CG GLU A 121 11.900 -15.329 -0.817 1.00 0.00 C ATOM 1820 CD GLU A 121 13.023 -16.289 -1.150 1.00 0.00 C ATOM 1821 OE1 GLU A 121 13.268 -17.227 -0.358 1.00 0.00 O ATOM 1822 OE2 GLU A 121 13.670 -16.109 -2.198 1.00 0.00 O ATOM 0 H GLU A 121 10.333 -14.099 -2.930 1.00 0.00 H new ATOM 0 HA GLU A 121 11.222 -16.738 -3.033 1.00 0.00 H new ATOM 0 HB2 GLU A 121 9.769 -15.136 -0.897 1.00 0.00 H new ATOM 0 HB3 GLU A 121 10.331 -16.771 -0.611 1.00 0.00 H new ATOM 0 HG2 GLU A 121 12.069 -14.387 -1.339 1.00 0.00 H new ATOM 0 HG3 GLU A 121 11.922 -15.110 0.251 1.00 0.00 H new ATOM 1829 N ILE A 122 7.908 -16.493 -2.951 1.00 0.00 N ATOM 1830 CA ILE A 122 6.697 -17.270 -3.201 1.00 0.00 C ATOM 1831 C ILE A 122 6.805 -18.072 -4.517 1.00 0.00 C ATOM 1832 O ILE A 122 6.300 -19.190 -4.606 1.00 0.00 O ATOM 1833 CB ILE A 122 5.423 -16.362 -3.173 1.00 0.00 C ATOM 1834 CG1 ILE A 122 4.475 -16.827 -2.066 1.00 0.00 C ATOM 1835 CG2 ILE A 122 4.694 -16.339 -4.513 1.00 0.00 C ATOM 1836 CD1 ILE A 122 3.855 -18.188 -2.311 1.00 0.00 C ATOM 0 H ILE A 122 7.753 -15.490 -2.845 1.00 0.00 H new ATOM 0 HA ILE A 122 6.593 -17.994 -2.393 1.00 0.00 H new ATOM 0 HB ILE A 122 5.755 -15.344 -2.971 1.00 0.00 H new ATOM 0 HG12 ILE A 122 5.021 -16.853 -1.123 1.00 0.00 H new ATOM 0 HG13 ILE A 122 3.678 -16.092 -1.953 1.00 0.00 H new ATOM 0 HG21 ILE A 122 3.818 -15.695 -4.440 1.00 0.00 H new ATOM 0 HG22 ILE A 122 5.362 -15.956 -5.284 1.00 0.00 H new ATOM 0 HG23 ILE A 122 4.380 -17.350 -4.774 1.00 0.00 H new ATOM 0 HD11 ILE A 122 3.197 -18.443 -1.480 1.00 0.00 H new ATOM 0 HD12 ILE A 122 3.279 -18.164 -3.236 1.00 0.00 H new ATOM 0 HD13 ILE A 122 4.643 -18.937 -2.393 1.00 0.00 H new ATOM 1848 N HIS A 123 7.471 -17.506 -5.532 1.00 0.00 N ATOM 1849 CA HIS A 123 7.747 -18.240 -6.768 1.00 0.00 C ATOM 1850 C HIS A 123 8.826 -19.304 -6.549 1.00 0.00 C ATOM 1851 O HIS A 123 8.813 -20.362 -7.178 1.00 0.00 O ATOM 1852 CB HIS A 123 8.176 -17.279 -7.883 1.00 0.00 C ATOM 1853 CG HIS A 123 7.041 -16.543 -8.529 1.00 0.00 C ATOM 1854 ND1 HIS A 123 6.074 -15.752 -8.004 1.00 0.00 N flip ATOM 1855 CD2 HIS A 123 6.809 -16.570 -9.888 1.00 0.00 C flip ATOM 1856 CE1 HIS A 123 5.289 -15.324 -9.045 1.00 0.00 C flip ATOM 1857 NE2 HIS A 123 5.753 -15.831 -10.169 1.00 0.00 N flip ATOM 0 H HIS A 123 7.825 -16.550 -5.520 1.00 0.00 H new ATOM 0 HA HIS A 123 6.827 -18.741 -7.069 1.00 0.00 H new ATOM 0 HB2 HIS A 123 8.878 -16.553 -7.472 1.00 0.00 H new ATOM 0 HB3 HIS A 123 8.711 -17.843 -8.647 1.00 0.00 H new ATOM 0 HD2 HIS A 123 7.400 -17.112 -10.611 1.00 0.00 H new ATOM 0 HE1 HIS A 123 4.429 -14.676 -8.957 1.00 0.00 H new ATOM 0 HE2 HIS A 123 5.362 -15.678 -11.099 1.00 0.00 H new ATOM 1866 N LYS A 124 9.750 -19.017 -5.639 1.00 0.00 N ATOM 1867 CA LYS A 124 10.834 -19.927 -5.303 1.00 0.00 C ATOM 1868 C LYS A 124 10.302 -21.133 -4.530 1.00 0.00 C ATOM 1869 O LYS A 124 10.915 -22.201 -4.518 1.00 0.00 O ATOM 1870 CB LYS A 124 11.876 -19.151 -4.495 1.00 0.00 C ATOM 1871 CG LYS A 124 12.958 -19.990 -3.841 1.00 0.00 C ATOM 1872 CD LYS A 124 13.891 -19.097 -3.048 1.00 0.00 C ATOM 1873 CE LYS A 124 14.638 -19.852 -1.964 1.00 0.00 C ATOM 1874 NZ LYS A 124 15.321 -18.919 -1.030 1.00 0.00 N ATOM 0 H LYS A 124 9.767 -18.143 -5.113 1.00 0.00 H new ATOM 0 HA LYS A 124 11.299 -20.315 -6.209 1.00 0.00 H new ATOM 0 HB2 LYS A 124 12.353 -18.425 -5.153 1.00 0.00 H new ATOM 0 HB3 LYS A 124 11.360 -18.586 -3.718 1.00 0.00 H new ATOM 0 HG2 LYS A 124 12.507 -20.734 -3.185 1.00 0.00 H new ATOM 0 HG3 LYS A 124 13.519 -20.534 -4.601 1.00 0.00 H new ATOM 0 HD2 LYS A 124 14.609 -18.635 -3.725 1.00 0.00 H new ATOM 0 HD3 LYS A 124 13.317 -18.290 -2.594 1.00 0.00 H new ATOM 0 HE2 LYS A 124 13.941 -20.480 -1.409 1.00 0.00 H new ATOM 0 HE3 LYS A 124 15.372 -20.516 -2.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 15.529 -19.411 -0.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 16.209 -18.588 -1.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 14.704 -18.104 -0.840 1.00 0.00 H new ATOM 1888 N LEU A 125 9.139 -20.958 -3.907 1.00 0.00 N ATOM 1889 CA LEU A 125 8.463 -22.041 -3.190 1.00 0.00 C ATOM 1890 C LEU A 125 7.889 -23.088 -4.153 1.00 0.00 C ATOM 1891 O LEU A 125 7.207 -24.017 -3.717 1.00 0.00 O ATOM 1892 CB LEU A 125 7.329 -21.479 -2.325 1.00 0.00 C ATOM 1893 CG LEU A 125 7.756 -20.511 -1.219 1.00 0.00 C ATOM 1894 CD1 LEU A 125 6.539 -19.943 -0.509 1.00 0.00 C ATOM 1895 CD2 LEU A 125 8.664 -21.203 -0.219 1.00 0.00 C ATOM 0 H LEU A 125 8.640 -20.069 -3.884 1.00 0.00 H new ATOM 0 HA LEU A 125 9.208 -22.525 -2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 125 6.619 -20.968 -2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 125 6.798 -22.314 -1.867 1.00 0.00 H new ATOM 0 HG LEU A 125 8.308 -19.693 -1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 125 6.862 -19.257 0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 125 5.916 -19.408 -1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 125 5.964 -20.756 -0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 125 8.955 -20.496 0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 125 8.135 -22.042 0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 125 9.555 -21.569 -0.729 1.00 0.00 H new