USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=28 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 85 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 89 GLN : amide:sc= -0.748 X(o=-0.75,f=-0.47) USER MOD Set 2.1: A 78 MET CE :methyl -164:sc= 0 (180deg=-0.121) USER MOD Set 2.2: A 88 GLN : amide:sc= -0.0783! C(o=-0.078!,f=-11!) USER MOD Set 3.1: A 16 MET CE :methyl -160:sc=-0.00909 (180deg=-0.226) USER MOD Set 3.2: A 34 TYR OH : rot 30:sc= 0 USER MOD Set 4.1: A 7 ASN : amide:sc= 0.181 K(o=0.18,f=-7.5!) USER MOD Set 4.2: A 10 ASN : amide:sc= 0 K(o=0.18,f=-0.88) USER MOD Single : A 5 MET CE :methyl -164:sc= -0.0597 (180deg=-0.406) USER MOD Single : A 6 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0237) USER MOD Single : A 9 SER OG : rot 133:sc= 0.275 USER MOD Single : A 11 ASN : amide:sc= -1.34! K(o=-1.3!,f=-0.23) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.136 K(o=-0.14,f=-1.7!) USER MOD Single : A 20 LYS NZ :NH3+ -106:sc= 1.29 (180deg=-0.353) USER MOD Single : A 24 SER OG : rot -3:sc= 0.802 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0413 K(o=-0.041,f=-2.1!) USER MOD Single : A 38 LYS NZ :NH3+ 165:sc= -0.021 (180deg=-0.206) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -127:sc= -0.559 (180deg=-1.86) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00703 USER MOD Single : A 53 ASN : amide:sc= -3.55! K(o=-3.5!,f=-0.65) USER MOD Single : A 57 THR OG1 : rot 163:sc= 1.17 USER MOD Single : A 58 LYS NZ :NH3+ -176:sc= 1.01 (180deg=0.968) USER MOD Single : A 67 ASN : amide:sc= -3.04! K(o=-3!,f=-0.88) USER MOD Single : A 69 HIS : no HE2:sc= -1.04 K(o=-1,f=-1.7) USER MOD Single : A 70 HIS : no HE2:sc= 1.22 K(o=1.2,f=-5.2!) USER MOD Single : A 72 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 171:sc= 0.772 (180deg=0.522) USER MOD Single : A 80 HIS : no HE2:sc= -0.739 K(o=-0.74,f=-1.3) USER MOD Single : A 86 MET CE :methyl -123:sc= -3.69! (180deg=-5.33!) USER MOD Single : A 95 HIS : no HD1:sc= -0.807 K(o=-0.81,f=-0.041) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 76:sc= 0.794 USER MOD Single : A 104 ASN : amide:sc= 0.127 K(o=0.13,f=-0.98) USER MOD Single : A 107 LYS NZ :NH3+ 163:sc= -0.0213 (180deg=-0.238) USER MOD Single : A 109 MET CE :methyl 175:sc= -2.42 (180deg=-2.58) USER MOD Single : A 110 LYS NZ :NH3+ -120:sc= 0.57 (180deg=-0.41) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl -142:sc= -0.702 (180deg=-3.83!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 175:sc= 1.25 (180deg=1.2) USER MOD Single : A 123 HIS : no HD1:sc= -1.33! K(o=-1.3!,f=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 14 N PRO A 2 -7.663 -14.544 -1.029 1.00 0.00 N ATOM 15 CA PRO A 2 -8.060 -13.253 -1.588 1.00 0.00 C ATOM 16 C PRO A 2 -8.143 -12.158 -0.524 1.00 0.00 C ATOM 17 O PRO A 2 -8.421 -10.996 -0.836 1.00 0.00 O ATOM 18 CB PRO A 2 -9.443 -13.554 -2.161 1.00 0.00 C ATOM 19 CG PRO A 2 -10.007 -14.607 -1.265 1.00 0.00 C ATOM 20 CD PRO A 2 -8.837 -15.378 -0.701 1.00 0.00 C ATOM 0 HA PRO A 2 -7.345 -12.875 -2.318 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -10.071 -12.663 -2.168 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -9.377 -13.905 -3.191 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -10.595 -14.158 -0.465 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -10.674 -15.268 -1.819 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.936 -15.521 0.375 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -8.760 -16.369 -1.149 1.00 0.00 H new ATOM 28 N GLU A 3 -7.882 -12.549 0.725 1.00 0.00 N ATOM 29 CA GLU A 3 -7.962 -11.653 1.881 1.00 0.00 C ATOM 30 C GLU A 3 -7.301 -10.310 1.613 1.00 0.00 C ATOM 31 O GLU A 3 -7.982 -9.287 1.534 1.00 0.00 O ATOM 32 CB GLU A 3 -7.310 -12.296 3.111 1.00 0.00 C ATOM 33 CG GLU A 3 -8.140 -13.393 3.761 1.00 0.00 C ATOM 34 CD GLU A 3 -8.512 -14.496 2.800 1.00 0.00 C ATOM 35 OE1 GLU A 3 -7.599 -15.091 2.193 1.00 0.00 O ATOM 36 OE2 GLU A 3 -9.719 -14.765 2.636 1.00 0.00 O ATOM 0 H GLU A 3 -7.608 -13.502 0.965 1.00 0.00 H new ATOM 0 HA GLU A 3 -9.022 -11.482 2.070 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.345 -12.711 2.820 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.113 -11.520 3.850 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -7.582 -13.818 4.595 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -9.049 -12.957 4.175 1.00 0.00 H new ATOM 43 N ILE A 4 -5.982 -10.308 1.472 1.00 0.00 N ATOM 44 CA ILE A 4 -5.252 -9.074 1.288 1.00 0.00 C ATOM 45 C ILE A 4 -5.265 -8.630 -0.175 1.00 0.00 C ATOM 46 O ILE A 4 -4.852 -7.517 -0.504 1.00 0.00 O ATOM 47 CB ILE A 4 -3.809 -9.208 1.812 1.00 0.00 C ATOM 48 CG1 ILE A 4 -3.251 -7.837 2.187 1.00 0.00 C ATOM 49 CG2 ILE A 4 -2.913 -9.893 0.787 1.00 0.00 C ATOM 50 CD1 ILE A 4 -2.151 -7.899 3.223 1.00 0.00 C ATOM 0 H ILE A 4 -5.403 -11.148 1.482 1.00 0.00 H new ATOM 0 HA ILE A 4 -5.755 -8.301 1.870 1.00 0.00 H new ATOM 0 HB ILE A 4 -3.829 -9.832 2.706 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.868 -7.351 1.290 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.062 -7.214 2.565 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.901 -9.974 1.184 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -3.300 -10.890 0.574 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.896 -9.306 -0.132 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.801 -6.890 3.443 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -2.535 -8.356 4.135 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.323 -8.495 2.839 1.00 0.00 H new ATOM 62 N MET A 5 -5.746 -9.511 -1.049 1.00 0.00 N ATOM 63 CA MET A 5 -5.870 -9.207 -2.462 1.00 0.00 C ATOM 64 C MET A 5 -6.918 -8.120 -2.666 1.00 0.00 C ATOM 65 O MET A 5 -6.894 -7.388 -3.657 1.00 0.00 O ATOM 66 CB MET A 5 -6.236 -10.474 -3.230 1.00 0.00 C ATOM 67 CG MET A 5 -5.097 -11.477 -3.325 1.00 0.00 C ATOM 68 SD MET A 5 -3.661 -10.830 -4.203 1.00 0.00 S ATOM 69 CE MET A 5 -4.335 -10.613 -5.848 1.00 0.00 C ATOM 0 H MET A 5 -6.057 -10.448 -0.794 1.00 0.00 H new ATOM 0 HA MET A 5 -4.918 -8.838 -2.843 1.00 0.00 H new ATOM 0 HB2 MET A 5 -7.089 -10.950 -2.745 1.00 0.00 H new ATOM 0 HB3 MET A 5 -6.553 -10.200 -4.236 1.00 0.00 H new ATOM 0 HG2 MET A 5 -4.798 -11.775 -2.320 1.00 0.00 H new ATOM 0 HG3 MET A 5 -5.452 -12.375 -3.831 1.00 0.00 H new ATOM 0 HE1 MET A 5 -3.520 -10.495 -6.562 1.00 0.00 H new ATOM 0 HE2 MET A 5 -4.929 -11.487 -6.116 1.00 0.00 H new ATOM 0 HE3 MET A 5 -4.966 -9.725 -5.868 1.00 0.00 H new ATOM 79 N LYS A 6 -7.854 -8.039 -1.730 1.00 0.00 N ATOM 80 CA LYS A 6 -8.737 -6.888 -1.636 1.00 0.00 C ATOM 81 C LYS A 6 -8.140 -5.875 -0.666 1.00 0.00 C ATOM 82 O LYS A 6 -8.196 -6.064 0.549 1.00 0.00 O ATOM 83 CB LYS A 6 -10.137 -7.292 -1.168 1.00 0.00 C ATOM 84 CG LYS A 6 -10.996 -7.929 -2.247 1.00 0.00 C ATOM 85 CD LYS A 6 -12.404 -8.191 -1.735 1.00 0.00 C ATOM 86 CE LYS A 6 -13.343 -8.636 -2.844 1.00 0.00 C ATOM 87 NZ LYS A 6 -12.901 -9.903 -3.482 1.00 0.00 N ATOM 0 H LYS A 6 -8.020 -8.758 -1.026 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.832 -6.446 -2.628 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.042 -7.990 -0.336 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.649 -6.409 -0.786 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.037 -7.275 -3.118 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.543 -8.865 -2.573 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.371 -8.957 -0.960 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.795 -7.285 -1.271 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.346 -8.767 -2.437 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.405 -7.853 -3.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.598 -10.193 -4.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.978 -9.758 -3.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.817 -10.645 -2.758 1.00 0.00 H new ATOM 101 N ASN A 7 -7.542 -4.820 -1.207 1.00 0.00 N ATOM 102 CA ASN A 7 -6.885 -3.809 -0.385 1.00 0.00 C ATOM 103 C ASN A 7 -7.889 -3.111 0.523 1.00 0.00 C ATOM 104 O ASN A 7 -8.937 -2.647 0.071 1.00 0.00 O ATOM 105 CB ASN A 7 -6.172 -2.776 -1.259 1.00 0.00 C ATOM 106 CG ASN A 7 -5.413 -1.756 -0.429 1.00 0.00 C ATOM 107 OD1 ASN A 7 -5.967 -0.746 -0.008 1.00 0.00 O ATOM 108 ND2 ASN A 7 -4.135 -2.011 -0.191 1.00 0.00 N ATOM 0 H ASN A 7 -7.498 -4.642 -2.210 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.145 -4.316 0.234 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.480 -3.285 -1.930 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.903 -2.263 -1.884 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.578 -1.357 0.359 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.708 -2.862 -0.557 1.00 0.00 H new ATOM 115 N LEU A 8 -7.551 -3.039 1.803 1.00 0.00 N ATOM 116 CA LEU A 8 -8.437 -2.471 2.808 1.00 0.00 C ATOM 117 C LEU A 8 -8.670 -0.983 2.574 1.00 0.00 C ATOM 118 O LEU A 8 -9.806 -0.517 2.629 1.00 0.00 O ATOM 119 CB LEU A 8 -7.862 -2.698 4.206 1.00 0.00 C ATOM 120 CG LEU A 8 -7.645 -4.165 4.591 1.00 0.00 C ATOM 121 CD1 LEU A 8 -7.002 -4.264 5.965 1.00 0.00 C ATOM 122 CD2 LEU A 8 -8.961 -4.928 4.560 1.00 0.00 C ATOM 0 H LEU A 8 -6.660 -3.371 2.172 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.399 -2.977 2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.908 -2.175 4.279 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.532 -2.243 4.935 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.972 -4.616 3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.855 -5.313 6.223 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.038 -3.755 5.953 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.651 -3.796 6.705 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.785 -5.968 4.836 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.659 -4.478 5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.382 -4.886 3.556 1.00 0.00 H new ATOM 134 N SER A 9 -7.601 -0.245 2.291 1.00 0.00 N ATOM 135 CA SER A 9 -7.695 1.202 2.120 1.00 0.00 C ATOM 136 C SER A 9 -8.636 1.552 0.965 1.00 0.00 C ATOM 137 O SER A 9 -9.447 2.478 1.069 1.00 0.00 O ATOM 138 CB SER A 9 -6.305 1.791 1.857 1.00 0.00 C ATOM 139 OG SER A 9 -5.364 1.344 2.823 1.00 0.00 O ATOM 0 H SER A 9 -6.661 -0.624 2.175 1.00 0.00 H new ATOM 0 HA SER A 9 -8.099 1.630 3.037 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.969 1.506 0.860 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.359 2.879 1.876 1.00 0.00 H new ATOM 0 HG SER A 9 -4.550 1.040 2.370 1.00 0.00 H new ATOM 145 N ASN A 10 -8.542 0.781 -0.114 1.00 0.00 N ATOM 146 CA ASN A 10 -9.379 1.000 -1.288 1.00 0.00 C ATOM 147 C ASN A 10 -10.798 0.504 -1.049 1.00 0.00 C ATOM 148 O ASN A 10 -11.741 0.959 -1.699 1.00 0.00 O ATOM 149 CB ASN A 10 -8.783 0.317 -2.524 1.00 0.00 C ATOM 150 CG ASN A 10 -7.484 0.955 -2.983 1.00 0.00 C ATOM 151 OD1 ASN A 10 -6.401 0.550 -2.573 1.00 0.00 O ATOM 152 ND2 ASN A 10 -7.582 1.960 -3.840 1.00 0.00 N ATOM 0 H ASN A 10 -7.894 -0.002 -0.199 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.415 2.074 -1.469 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -8.606 -0.735 -2.302 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -9.507 0.354 -3.338 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -6.740 2.424 -4.181 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -8.500 2.270 -4.159 1.00 0.00 H new ATOM 159 N ASN A 11 -10.949 -0.441 -0.125 1.00 0.00 N ATOM 160 CA ASN A 11 -12.270 -0.932 0.253 1.00 0.00 C ATOM 161 C ASN A 11 -12.976 0.127 1.092 1.00 0.00 C ATOM 162 O ASN A 11 -14.129 0.462 0.833 1.00 0.00 O ATOM 163 CB ASN A 11 -12.161 -2.246 1.039 1.00 0.00 C ATOM 164 CG ASN A 11 -13.482 -3.007 1.158 1.00 0.00 C ATOM 165 OD1 ASN A 11 -13.485 -4.232 1.280 1.00 0.00 O ATOM 166 ND2 ASN A 11 -14.609 -2.307 1.124 1.00 0.00 N ATOM 0 H ASN A 11 -10.176 -0.881 0.374 1.00 0.00 H new ATOM 0 HA ASN A 11 -12.847 -1.129 -0.650 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.425 -2.888 0.555 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.786 -2.030 2.039 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -15.508 -2.783 1.200 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -14.576 -1.293 1.022 1.00 0.00 H new ATOM 173 N PHE A 12 -12.284 0.613 2.121 1.00 0.00 N ATOM 174 CA PHE A 12 -12.774 1.734 2.931 1.00 0.00 C ATOM 175 C PHE A 12 -13.216 2.928 2.070 1.00 0.00 C ATOM 176 O PHE A 12 -14.414 3.126 1.863 1.00 0.00 O ATOM 177 CB PHE A 12 -11.710 2.184 3.937 1.00 0.00 C ATOM 178 CG PHE A 12 -11.662 1.352 5.186 1.00 0.00 C ATOM 179 CD1 PHE A 12 -10.949 0.165 5.224 1.00 0.00 C ATOM 180 CD2 PHE A 12 -12.330 1.763 6.326 1.00 0.00 C ATOM 181 CE1 PHE A 12 -10.903 -0.596 6.374 1.00 0.00 C ATOM 182 CE2 PHE A 12 -12.289 1.006 7.480 1.00 0.00 C ATOM 183 CZ PHE A 12 -11.574 -0.175 7.504 1.00 0.00 C ATOM 0 H PHE A 12 -11.378 0.248 2.417 1.00 0.00 H new ATOM 0 HA PHE A 12 -13.650 1.372 3.469 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.733 2.154 3.455 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -11.899 3.222 4.211 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -10.422 -0.169 4.342 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -12.890 2.686 6.313 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.343 -1.519 6.390 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.816 1.337 8.363 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.540 -0.768 8.406 1.00 0.00 H new ATOM 193 N GLY A 13 -12.257 3.722 1.566 1.00 0.00 N ATOM 194 CA GLY A 13 -12.597 4.904 0.790 1.00 0.00 C ATOM 195 C GLY A 13 -13.543 5.858 1.509 1.00 0.00 C ATOM 196 O GLY A 13 -14.434 6.432 0.886 1.00 0.00 O ATOM 0 H GLY A 13 -11.257 3.562 1.685 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.681 5.437 0.537 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -13.054 4.592 -0.149 1.00 0.00 H new ATOM 200 N LYS A 14 -13.360 6.029 2.821 1.00 0.00 N ATOM 201 CA LYS A 14 -14.187 6.954 3.588 1.00 0.00 C ATOM 202 C LYS A 14 -13.897 8.394 3.180 1.00 0.00 C ATOM 203 O LYS A 14 -14.800 9.229 3.136 1.00 0.00 O ATOM 204 CB LYS A 14 -13.959 6.782 5.094 1.00 0.00 C ATOM 205 CG LYS A 14 -14.380 5.422 5.630 1.00 0.00 C ATOM 206 CD LYS A 14 -14.433 5.415 7.150 1.00 0.00 C ATOM 207 CE LYS A 14 -14.938 4.084 7.685 1.00 0.00 C ATOM 208 NZ LYS A 14 -15.159 4.132 9.152 1.00 0.00 N ATOM 0 H LYS A 14 -12.651 5.541 3.368 1.00 0.00 H new ATOM 0 HA LYS A 14 -15.230 6.726 3.370 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -12.902 6.936 5.311 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.510 7.558 5.626 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -15.359 5.159 5.229 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.680 4.661 5.286 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.439 5.616 7.550 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.084 6.218 7.496 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.870 3.820 7.185 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.218 3.300 7.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.503 3.208 9.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.264 4.359 9.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.865 4.863 9.373 1.00 0.00 H new ATOM 222 N ALA A 15 -12.635 8.679 2.892 1.00 0.00 N ATOM 223 CA ALA A 15 -12.228 10.008 2.469 1.00 0.00 C ATOM 224 C ALA A 15 -11.034 9.929 1.526 1.00 0.00 C ATOM 225 O ALA A 15 -9.898 9.733 1.964 1.00 0.00 O ATOM 226 CB ALA A 15 -11.897 10.875 3.677 1.00 0.00 C ATOM 0 H ALA A 15 -11.873 8.003 2.945 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.059 10.466 1.933 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -11.594 11.867 3.341 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -12.776 10.961 4.315 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -11.083 10.419 4.240 1.00 0.00 H new ATOM 232 N MET A 16 -11.295 10.067 0.232 1.00 0.00 N ATOM 233 CA MET A 16 -10.235 10.053 -0.768 1.00 0.00 C ATOM 234 C MET A 16 -9.402 11.321 -0.654 1.00 0.00 C ATOM 235 O MET A 16 -8.185 11.302 -0.843 1.00 0.00 O ATOM 236 CB MET A 16 -10.823 9.943 -2.180 1.00 0.00 C ATOM 237 CG MET A 16 -9.778 10.001 -3.286 1.00 0.00 C ATOM 238 SD MET A 16 -10.502 10.038 -4.938 1.00 0.00 S ATOM 239 CE MET A 16 -11.251 8.413 -5.022 1.00 0.00 C ATOM 0 H MET A 16 -12.233 10.190 -0.150 1.00 0.00 H new ATOM 0 HA MET A 16 -9.601 9.185 -0.588 1.00 0.00 H new ATOM 0 HB2 MET A 16 -11.374 9.006 -2.262 1.00 0.00 H new ATOM 0 HB3 MET A 16 -11.541 10.749 -2.329 1.00 0.00 H new ATOM 0 HG2 MET A 16 -9.158 10.887 -3.147 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.120 9.136 -3.203 1.00 0.00 H new ATOM 0 HE1 MET A 16 -11.421 8.144 -6.065 1.00 0.00 H new ATOM 0 HE2 MET A 16 -10.586 7.682 -4.562 1.00 0.00 H new ATOM 0 HE3 MET A 16 -12.202 8.423 -4.490 1.00 0.00 H new ATOM 249 N ASP A 17 -10.080 12.409 -0.303 1.00 0.00 N ATOM 250 CA ASP A 17 -9.469 13.734 -0.198 1.00 0.00 C ATOM 251 C ASP A 17 -8.245 13.734 0.701 1.00 0.00 C ATOM 252 O ASP A 17 -7.240 14.371 0.389 1.00 0.00 O ATOM 253 CB ASP A 17 -10.495 14.734 0.336 1.00 0.00 C ATOM 254 CG ASP A 17 -9.968 16.155 0.375 1.00 0.00 C ATOM 255 OD1 ASP A 17 -10.012 16.835 -0.675 1.00 0.00 O ATOM 256 OD2 ASP A 17 -9.551 16.611 1.457 1.00 0.00 O ATOM 0 H ASP A 17 -11.076 12.398 -0.081 1.00 0.00 H new ATOM 0 HA ASP A 17 -9.144 14.023 -1.197 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.388 14.700 -0.289 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.797 14.436 1.340 1.00 0.00 H new ATOM 261 N GLN A 18 -8.300 12.986 1.788 1.00 0.00 N ATOM 262 CA GLN A 18 -7.238 13.068 2.774 1.00 0.00 C ATOM 263 C GLN A 18 -6.107 12.103 2.461 1.00 0.00 C ATOM 264 O GLN A 18 -4.964 12.352 2.829 1.00 0.00 O ATOM 265 CB GLN A 18 -7.768 12.864 4.191 1.00 0.00 C ATOM 266 CG GLN A 18 -8.541 14.070 4.707 1.00 0.00 C ATOM 267 CD GLN A 18 -8.512 14.184 6.219 1.00 0.00 C ATOM 268 OE1 GLN A 18 -7.562 13.750 6.875 1.00 0.00 O ATOM 269 NE2 GLN A 18 -9.545 14.793 6.780 1.00 0.00 N ATOM 0 H GLN A 18 -9.049 12.330 2.008 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.829 14.077 2.722 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.415 11.987 4.210 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.933 12.659 4.861 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.123 14.977 4.271 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -9.576 14.003 4.372 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -10.310 15.137 6.200 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.575 14.918 7.792 1.00 0.00 H new ATOM 278 N CYS A 19 -6.404 11.018 1.756 1.00 0.00 N ATOM 279 CA CYS A 19 -5.342 10.144 1.284 1.00 0.00 C ATOM 280 C CYS A 19 -4.646 10.804 0.095 1.00 0.00 C ATOM 281 O CYS A 19 -3.427 10.722 -0.051 1.00 0.00 O ATOM 282 CB CYS A 19 -5.869 8.748 0.913 1.00 0.00 C ATOM 283 SG CYS A 19 -4.583 7.596 0.319 1.00 0.00 S ATOM 0 H CYS A 19 -7.349 10.728 1.504 1.00 0.00 H new ATOM 0 HA CYS A 19 -4.625 9.999 2.092 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -6.356 8.312 1.785 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -6.631 8.853 0.141 1.00 0.00 H new ATOM 288 N LYS A 20 -5.429 11.511 -0.718 1.00 0.00 N ATOM 289 CA LYS A 20 -4.914 12.189 -1.890 1.00 0.00 C ATOM 290 C LYS A 20 -3.907 13.261 -1.498 1.00 0.00 C ATOM 291 O LYS A 20 -2.814 13.332 -2.059 1.00 0.00 O ATOM 292 CB LYS A 20 -6.067 12.814 -2.679 1.00 0.00 C ATOM 293 CG LYS A 20 -6.042 12.471 -4.159 1.00 0.00 C ATOM 294 CD LYS A 20 -4.817 13.048 -4.850 1.00 0.00 C ATOM 295 CE LYS A 20 -4.989 14.527 -5.168 1.00 0.00 C ATOM 296 NZ LYS A 20 -3.788 15.095 -5.836 1.00 0.00 N ATOM 0 H LYS A 20 -6.433 11.625 -0.578 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.406 11.456 -2.517 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.013 12.480 -2.252 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.031 13.897 -2.564 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.052 11.388 -4.282 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.944 12.855 -4.637 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.943 12.913 -4.213 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.627 12.498 -5.772 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.859 14.661 -5.811 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.185 15.076 -4.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.266 15.692 -5.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.174 14.322 -6.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.083 15.669 -6.651 1.00 0.00 H new ATOM 310 N ASP A 21 -4.277 14.080 -0.522 1.00 0.00 N ATOM 311 CA ASP A 21 -3.448 15.213 -0.125 1.00 0.00 C ATOM 312 C ASP A 21 -2.283 14.781 0.760 1.00 0.00 C ATOM 313 O ASP A 21 -1.178 15.312 0.636 1.00 0.00 O ATOM 314 CB ASP A 21 -4.288 16.264 0.596 1.00 0.00 C ATOM 315 CG ASP A 21 -3.506 17.534 0.862 1.00 0.00 C ATOM 316 OD1 ASP A 21 -3.201 18.260 -0.107 1.00 0.00 O ATOM 317 OD2 ASP A 21 -3.211 17.825 2.038 1.00 0.00 O ATOM 0 H ASP A 21 -5.143 13.982 0.008 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.034 15.646 -1.036 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.167 16.499 -0.004 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.647 15.855 1.541 1.00 0.00 H new ATOM 322 N GLU A 22 -2.517 13.808 1.638 1.00 0.00 N ATOM 323 CA GLU A 22 -1.471 13.326 2.539 1.00 0.00 C ATOM 324 C GLU A 22 -0.294 12.738 1.751 1.00 0.00 C ATOM 325 O GLU A 22 0.866 12.973 2.096 1.00 0.00 O ATOM 326 CB GLU A 22 -2.038 12.293 3.513 1.00 0.00 C ATOM 327 CG GLU A 22 -1.029 11.758 4.515 1.00 0.00 C ATOM 328 CD GLU A 22 -0.581 12.801 5.515 1.00 0.00 C ATOM 329 OE1 GLU A 22 -1.415 13.626 5.936 1.00 0.00 O ATOM 330 OE2 GLU A 22 0.601 12.777 5.918 1.00 0.00 O ATOM 0 H GLU A 22 -3.417 13.339 1.745 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.100 14.175 3.113 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.869 12.742 4.057 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.444 11.458 2.943 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.467 10.915 5.049 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.159 11.379 3.979 1.00 0.00 H new ATOM 337 N LEU A 23 -0.580 11.978 0.691 1.00 0.00 N ATOM 338 CA LEU A 23 0.487 11.515 -0.195 1.00 0.00 C ATOM 339 C LEU A 23 0.902 12.622 -1.142 1.00 0.00 C ATOM 340 O LEU A 23 2.023 12.628 -1.647 1.00 0.00 O ATOM 341 CB LEU A 23 0.063 10.315 -1.049 1.00 0.00 C ATOM 342 CG LEU A 23 0.112 8.944 -0.386 1.00 0.00 C ATOM 343 CD1 LEU A 23 1.321 8.804 0.519 1.00 0.00 C ATOM 344 CD2 LEU A 23 -1.168 8.673 0.369 1.00 0.00 C ATOM 0 H LEU A 23 -1.519 11.677 0.430 1.00 0.00 H new ATOM 0 HA LEU A 23 1.311 11.217 0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.956 10.488 -1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.699 10.287 -1.934 1.00 0.00 H new ATOM 0 HG LEU A 23 0.210 8.196 -1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.322 7.814 0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.231 8.935 -0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.280 9.562 1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.114 7.689 0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.304 9.433 1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.011 8.701 -0.322 1.00 0.00 H new ATOM 356 N SER A 24 -0.003 13.572 -1.344 1.00 0.00 N ATOM 357 CA SER A 24 0.165 14.586 -2.369 1.00 0.00 C ATOM 358 C SER A 24 0.304 13.886 -3.719 1.00 0.00 C ATOM 359 O SER A 24 1.230 14.142 -4.490 1.00 0.00 O ATOM 360 CB SER A 24 1.367 15.477 -2.047 1.00 0.00 C ATOM 361 OG SER A 24 1.198 16.093 -0.776 1.00 0.00 O ATOM 0 H SER A 24 -0.865 13.658 -0.806 1.00 0.00 H new ATOM 0 HA SER A 24 -0.704 15.243 -2.406 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.281 14.883 -2.052 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.479 16.240 -2.817 1.00 0.00 H new ATOM 0 HG SER A 24 0.323 15.849 -0.408 1.00 0.00 H new ATOM 367 N LEU A 25 -0.647 12.986 -3.972 1.00 0.00 N ATOM 368 CA LEU A 25 -0.593 12.082 -5.120 1.00 0.00 C ATOM 369 C LEU A 25 -0.720 12.854 -6.429 1.00 0.00 C ATOM 370 O LEU A 25 -1.709 13.551 -6.647 1.00 0.00 O ATOM 371 CB LEU A 25 -1.733 11.047 -5.065 1.00 0.00 C ATOM 372 CG LEU A 25 -1.566 9.869 -4.091 1.00 0.00 C ATOM 373 CD1 LEU A 25 -2.749 8.926 -4.208 1.00 0.00 C ATOM 374 CD2 LEU A 25 -0.279 9.126 -4.373 1.00 0.00 C ATOM 0 H LEU A 25 -1.474 12.864 -3.388 1.00 0.00 H new ATOM 0 HA LEU A 25 0.371 11.575 -5.078 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.653 11.571 -4.807 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.869 10.640 -6.067 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.524 10.262 -3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.622 8.095 -3.514 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.667 9.462 -3.967 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.809 8.543 -5.227 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.178 8.296 -3.674 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.297 8.742 -5.393 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.566 9.804 -4.256 1.00 0.00 H new ATOM 386 N PRO A 26 0.273 12.747 -7.317 1.00 0.00 N ATOM 387 CA PRO A 26 0.184 13.299 -8.665 1.00 0.00 C ATOM 388 C PRO A 26 -0.754 12.464 -9.533 1.00 0.00 C ATOM 389 O PRO A 26 -0.948 11.269 -9.283 1.00 0.00 O ATOM 390 CB PRO A 26 1.628 13.226 -9.190 1.00 0.00 C ATOM 391 CG PRO A 26 2.464 12.890 -7.997 1.00 0.00 C ATOM 392 CD PRO A 26 1.567 12.107 -7.089 1.00 0.00 C ATOM 0 HA PRO A 26 -0.217 14.312 -8.679 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.727 12.467 -9.966 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.935 14.174 -9.631 1.00 0.00 H new ATOM 0 HG2 PRO A 26 3.339 12.307 -8.283 1.00 0.00 H new ATOM 0 HG3 PRO A 26 2.829 13.792 -7.506 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.550 11.048 -7.346 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.879 12.177 -6.047 1.00 0.00 H new ATOM 400 N ASP A 27 -1.325 13.086 -10.554 1.00 0.00 N ATOM 401 CA ASP A 27 -2.311 12.425 -11.407 1.00 0.00 C ATOM 402 C ASP A 27 -1.725 11.237 -12.167 1.00 0.00 C ATOM 403 O ASP A 27 -2.458 10.331 -12.562 1.00 0.00 O ATOM 404 CB ASP A 27 -2.940 13.418 -12.383 1.00 0.00 C ATOM 405 CG ASP A 27 -1.929 14.089 -13.290 1.00 0.00 C ATOM 406 OD1 ASP A 27 -1.304 15.080 -12.863 1.00 0.00 O ATOM 407 OD2 ASP A 27 -1.766 13.642 -14.441 1.00 0.00 O ATOM 0 H ASP A 27 -1.124 14.051 -10.815 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.085 12.037 -10.745 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.678 12.898 -12.994 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.475 14.182 -11.819 1.00 0.00 H new ATOM 412 N SER A 28 -0.416 11.233 -12.365 1.00 0.00 N ATOM 413 CA SER A 28 0.252 10.095 -12.984 1.00 0.00 C ATOM 414 C SER A 28 0.149 8.873 -12.071 1.00 0.00 C ATOM 415 O SER A 28 -0.086 7.747 -12.525 1.00 0.00 O ATOM 416 CB SER A 28 1.719 10.436 -13.249 1.00 0.00 C ATOM 417 OG SER A 28 1.834 11.706 -13.868 1.00 0.00 O ATOM 0 H SER A 28 0.204 12.001 -12.108 1.00 0.00 H new ATOM 0 HA SER A 28 -0.233 9.866 -13.933 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.274 10.432 -12.311 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.165 9.673 -13.887 1.00 0.00 H new ATOM 0 HG SER A 28 2.780 11.907 -14.028 1.00 0.00 H new ATOM 423 N VAL A 29 0.281 9.117 -10.775 1.00 0.00 N ATOM 424 CA VAL A 29 0.237 8.056 -9.787 1.00 0.00 C ATOM 425 C VAL A 29 -1.173 7.503 -9.663 1.00 0.00 C ATOM 426 O VAL A 29 -1.371 6.300 -9.773 1.00 0.00 O ATOM 427 CB VAL A 29 0.714 8.541 -8.407 1.00 0.00 C ATOM 428 CG1 VAL A 29 0.702 7.403 -7.392 1.00 0.00 C ATOM 429 CG2 VAL A 29 2.101 9.144 -8.520 1.00 0.00 C ATOM 0 H VAL A 29 0.420 10.049 -10.384 1.00 0.00 H new ATOM 0 HA VAL A 29 0.912 7.271 -10.129 1.00 0.00 H new ATOM 0 HB VAL A 29 0.025 9.308 -8.054 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.044 7.774 -6.426 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.311 7.014 -7.294 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.365 6.607 -7.730 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.431 9.485 -7.539 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.795 8.392 -8.895 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.075 9.989 -9.208 1.00 0.00 H new ATOM 439 N VAL A 30 -2.151 8.389 -9.460 1.00 0.00 N ATOM 440 CA VAL A 30 -3.549 7.971 -9.335 1.00 0.00 C ATOM 441 C VAL A 30 -3.999 7.203 -10.582 1.00 0.00 C ATOM 442 O VAL A 30 -4.830 6.302 -10.508 1.00 0.00 O ATOM 443 CB VAL A 30 -4.493 9.170 -9.090 1.00 0.00 C ATOM 444 CG1 VAL A 30 -4.033 9.963 -7.881 1.00 0.00 C ATOM 445 CG2 VAL A 30 -4.596 10.071 -10.310 1.00 0.00 C ATOM 0 H VAL A 30 -2.002 9.395 -9.379 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.608 7.315 -8.467 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.489 8.770 -8.897 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.707 10.805 -7.720 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.038 9.320 -7.001 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.023 10.335 -8.053 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.269 10.901 -10.094 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.609 10.460 -10.559 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.984 9.499 -11.153 1.00 0.00 H new ATOM 455 N ALA A 31 -3.412 7.551 -11.720 1.00 0.00 N ATOM 456 CA ALA A 31 -3.722 6.889 -12.984 1.00 0.00 C ATOM 457 C ALA A 31 -3.303 5.421 -12.968 1.00 0.00 C ATOM 458 O ALA A 31 -4.101 4.536 -13.276 1.00 0.00 O ATOM 459 CB ALA A 31 -3.026 7.602 -14.126 1.00 0.00 C ATOM 0 H ALA A 31 -2.715 8.292 -11.795 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.802 6.932 -13.124 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.262 7.102 -15.065 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.366 8.637 -14.170 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.948 7.581 -13.965 1.00 0.00 H new ATOM 465 N ASP A 32 -2.048 5.163 -12.613 1.00 0.00 N ATOM 466 CA ASP A 32 -1.551 3.789 -12.534 1.00 0.00 C ATOM 467 C ASP A 32 -2.109 3.082 -11.307 1.00 0.00 C ATOM 468 O ASP A 32 -2.378 1.882 -11.332 1.00 0.00 O ATOM 469 CB ASP A 32 -0.021 3.760 -12.503 1.00 0.00 C ATOM 470 CG ASP A 32 0.589 3.767 -13.891 1.00 0.00 C ATOM 471 OD1 ASP A 32 0.529 4.808 -14.571 1.00 0.00 O ATOM 472 OD2 ASP A 32 1.128 2.721 -14.310 1.00 0.00 O ATOM 0 H ASP A 32 -1.360 5.878 -12.377 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.890 3.263 -13.426 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.344 4.622 -11.945 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.311 2.870 -11.968 1.00 0.00 H new ATOM 477 N LEU A 33 -2.257 3.846 -10.237 1.00 0.00 N ATOM 478 CA LEU A 33 -2.828 3.372 -8.982 1.00 0.00 C ATOM 479 C LEU A 33 -4.160 2.659 -9.199 1.00 0.00 C ATOM 480 O LEU A 33 -4.330 1.509 -8.800 1.00 0.00 O ATOM 481 CB LEU A 33 -3.038 4.572 -8.050 1.00 0.00 C ATOM 482 CG LEU A 33 -3.283 4.255 -6.579 1.00 0.00 C ATOM 483 CD1 LEU A 33 -2.065 3.566 -5.994 1.00 0.00 C ATOM 484 CD2 LEU A 33 -3.592 5.527 -5.809 1.00 0.00 C ATOM 0 H LEU A 33 -1.981 4.828 -10.213 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.136 2.655 -8.539 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.161 5.215 -8.119 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.886 5.148 -8.421 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.141 3.588 -6.498 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.244 3.341 -4.943 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.876 2.640 -6.536 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.199 4.222 -6.082 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.765 5.285 -4.760 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.750 6.214 -5.889 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.484 5.996 -6.224 1.00 0.00 H new ATOM 496 N TYR A 34 -5.093 3.348 -9.839 1.00 0.00 N ATOM 497 CA TYR A 34 -6.445 2.830 -10.043 1.00 0.00 C ATOM 498 C TYR A 34 -6.557 1.785 -11.167 1.00 0.00 C ATOM 499 O TYR A 34 -7.669 1.458 -11.586 1.00 0.00 O ATOM 500 CB TYR A 34 -7.412 3.990 -10.275 1.00 0.00 C ATOM 501 CG TYR A 34 -7.679 4.783 -9.012 1.00 0.00 C ATOM 502 CD1 TYR A 34 -6.674 5.537 -8.426 1.00 0.00 C ATOM 503 CD2 TYR A 34 -8.924 4.762 -8.396 1.00 0.00 C ATOM 504 CE1 TYR A 34 -6.894 6.245 -7.267 1.00 0.00 C ATOM 505 CE2 TYR A 34 -9.154 5.475 -7.234 1.00 0.00 C ATOM 506 CZ TYR A 34 -8.131 6.213 -6.675 1.00 0.00 C ATOM 507 OH TYR A 34 -8.339 6.922 -5.518 1.00 0.00 O ATOM 0 H TYR A 34 -4.940 4.277 -10.231 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.714 2.297 -9.131 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.003 4.653 -11.037 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.354 3.602 -10.663 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.699 5.569 -8.889 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -9.723 4.181 -8.831 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.096 6.823 -6.825 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -10.128 5.454 -6.767 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.757 7.711 -5.509 1.00 0.00 H new ATOM 517 N ASN A 35 -5.428 1.280 -11.678 1.00 0.00 N ATOM 518 CA ASN A 35 -5.460 0.233 -12.698 1.00 0.00 C ATOM 519 C ASN A 35 -6.200 -0.992 -12.162 1.00 0.00 C ATOM 520 O ASN A 35 -5.718 -1.679 -11.264 1.00 0.00 O ATOM 521 CB ASN A 35 -4.040 -0.159 -13.120 1.00 0.00 C ATOM 522 CG ASN A 35 -4.029 -1.189 -14.236 1.00 0.00 C ATOM 523 OD1 ASN A 35 -4.937 -1.235 -15.066 1.00 0.00 O ATOM 524 ND2 ASN A 35 -2.999 -2.018 -14.268 1.00 0.00 N ATOM 0 H ASN A 35 -4.492 1.577 -11.404 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.985 0.619 -13.572 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.502 0.731 -13.446 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.505 -0.556 -12.258 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.938 -2.727 -14.999 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.266 -1.948 -13.562 1.00 0.00 H new ATOM 531 N PHE A 36 -7.371 -1.255 -12.724 1.00 0.00 N ATOM 532 CA PHE A 36 -8.273 -2.271 -12.192 1.00 0.00 C ATOM 533 C PHE A 36 -7.837 -3.678 -12.602 1.00 0.00 C ATOM 534 O PHE A 36 -8.263 -4.666 -12.009 1.00 0.00 O ATOM 535 CB PHE A 36 -9.703 -1.989 -12.674 1.00 0.00 C ATOM 536 CG PHE A 36 -10.753 -2.835 -12.011 1.00 0.00 C ATOM 537 CD1 PHE A 36 -11.066 -2.651 -10.673 1.00 0.00 C ATOM 538 CD2 PHE A 36 -11.433 -3.805 -12.727 1.00 0.00 C ATOM 539 CE1 PHE A 36 -12.039 -3.420 -10.063 1.00 0.00 C ATOM 540 CE2 PHE A 36 -12.404 -4.579 -12.123 1.00 0.00 C ATOM 541 CZ PHE A 36 -12.708 -4.386 -10.788 1.00 0.00 C ATOM 0 H PHE A 36 -7.722 -0.776 -13.554 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.241 -2.225 -11.103 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -9.934 -0.938 -12.497 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.750 -2.149 -13.751 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -10.544 -1.898 -10.101 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -11.201 -3.958 -13.771 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -12.276 -3.266 -9.021 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -12.925 -5.334 -12.693 1.00 0.00 H new ATOM 0 HZ PHE A 36 -13.467 -4.990 -10.313 1.00 0.00 H new ATOM 551 N TRP A 37 -6.989 -3.765 -13.613 1.00 0.00 N ATOM 552 CA TRP A 37 -6.522 -5.055 -14.094 1.00 0.00 C ATOM 553 C TRP A 37 -5.244 -5.469 -13.382 1.00 0.00 C ATOM 554 O TRP A 37 -4.259 -4.728 -13.378 1.00 0.00 O ATOM 555 CB TRP A 37 -6.307 -5.014 -15.607 1.00 0.00 C ATOM 556 CG TRP A 37 -7.563 -4.687 -16.350 1.00 0.00 C ATOM 557 CD1 TRP A 37 -8.610 -5.524 -16.593 1.00 0.00 C ATOM 558 CD2 TRP A 37 -7.908 -3.429 -16.939 1.00 0.00 C ATOM 559 NE1 TRP A 37 -9.588 -4.864 -17.293 1.00 0.00 N ATOM 560 CE2 TRP A 37 -9.179 -3.577 -17.522 1.00 0.00 C ATOM 561 CE3 TRP A 37 -7.262 -2.193 -17.034 1.00 0.00 C ATOM 562 CZ2 TRP A 37 -9.820 -2.533 -18.182 1.00 0.00 C ATOM 563 CZ3 TRP A 37 -7.900 -1.158 -17.691 1.00 0.00 C ATOM 564 CH2 TRP A 37 -9.166 -1.335 -18.260 1.00 0.00 C ATOM 0 H TRP A 37 -6.611 -2.962 -14.115 1.00 0.00 H new ATOM 0 HA TRP A 37 -7.287 -5.799 -13.873 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -5.544 -4.272 -15.843 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -5.929 -5.979 -15.944 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -8.662 -6.556 -16.280 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -10.476 -5.266 -17.594 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -6.283 -2.050 -16.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -10.800 -2.665 -18.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -7.413 -0.197 -17.766 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -9.636 -0.508 -18.771 1.00 0.00 H new ATOM 575 N LYS A 38 -5.265 -6.651 -12.779 1.00 0.00 N ATOM 576 CA LYS A 38 -4.105 -7.178 -12.067 1.00 0.00 C ATOM 577 C LYS A 38 -3.055 -7.690 -13.049 1.00 0.00 C ATOM 578 O LYS A 38 -2.808 -8.896 -13.142 1.00 0.00 O ATOM 579 CB LYS A 38 -4.522 -8.306 -11.121 1.00 0.00 C ATOM 580 CG LYS A 38 -5.612 -7.909 -10.140 1.00 0.00 C ATOM 581 CD LYS A 38 -5.949 -9.052 -9.197 1.00 0.00 C ATOM 582 CE LYS A 38 -7.124 -8.707 -8.299 1.00 0.00 C ATOM 583 NZ LYS A 38 -8.386 -8.547 -9.065 1.00 0.00 N ATOM 0 H LYS A 38 -6.078 -7.267 -12.769 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.672 -6.366 -11.482 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.868 -9.154 -11.712 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.648 -8.642 -10.563 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.287 -7.043 -9.564 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.506 -7.611 -10.688 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.183 -9.945 -9.776 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.079 -9.288 -8.584 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.251 -9.491 -7.552 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.909 -7.785 -7.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.194 -8.566 -8.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.372 -7.639 -9.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.477 -9.324 -9.750 1.00 0.00 H new ATOM 597 N ASP A 39 -2.496 -6.767 -13.816 1.00 0.00 N ATOM 598 CA ASP A 39 -1.448 -7.073 -14.798 1.00 0.00 C ATOM 599 C ASP A 39 -0.200 -7.811 -14.245 1.00 0.00 C ATOM 600 O ASP A 39 0.522 -8.423 -15.034 1.00 0.00 O ATOM 601 CB ASP A 39 -1.009 -5.772 -15.472 1.00 0.00 C ATOM 602 CG ASP A 39 -0.023 -5.996 -16.599 1.00 0.00 C ATOM 603 OD1 ASP A 39 -0.412 -6.597 -17.622 1.00 0.00 O ATOM 604 OD2 ASP A 39 1.135 -5.550 -16.479 1.00 0.00 O ATOM 0 H ASP A 39 -2.752 -5.780 -13.781 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.901 -7.773 -15.500 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.887 -5.256 -15.861 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.558 -5.117 -14.727 1.00 0.00 H new ATOM 609 N ASP A 40 0.057 -7.790 -12.922 1.00 0.00 N ATOM 610 CA ASP A 40 1.327 -8.276 -12.375 1.00 0.00 C ATOM 611 C ASP A 40 2.473 -7.424 -12.909 1.00 0.00 C ATOM 612 O ASP A 40 3.250 -7.847 -13.759 1.00 0.00 O ATOM 613 CB ASP A 40 1.566 -9.767 -12.679 1.00 0.00 C ATOM 614 CG ASP A 40 2.859 -10.290 -12.072 1.00 0.00 C ATOM 615 OD1 ASP A 40 2.966 -10.331 -10.829 1.00 0.00 O ATOM 616 OD2 ASP A 40 3.771 -10.688 -12.834 1.00 0.00 O ATOM 0 H ASP A 40 -0.598 -7.443 -12.221 1.00 0.00 H new ATOM 0 HA ASP A 40 1.279 -8.185 -11.290 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.728 -10.350 -12.297 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.591 -9.914 -13.759 1.00 0.00 H new ATOM 621 N TYR A 41 2.528 -6.194 -12.437 1.00 0.00 N ATOM 622 CA TYR A 41 3.546 -5.248 -12.861 1.00 0.00 C ATOM 623 C TYR A 41 4.456 -4.892 -11.696 1.00 0.00 C ATOM 624 O TYR A 41 4.130 -5.169 -10.540 1.00 0.00 O ATOM 625 CB TYR A 41 2.888 -3.982 -13.423 1.00 0.00 C ATOM 626 CG TYR A 41 1.717 -3.494 -12.595 1.00 0.00 C ATOM 627 CD1 TYR A 41 1.914 -2.845 -11.380 1.00 0.00 C ATOM 628 CD2 TYR A 41 0.414 -3.697 -13.024 1.00 0.00 C ATOM 629 CE1 TYR A 41 0.844 -2.416 -10.619 1.00 0.00 C ATOM 630 CE2 TYR A 41 -0.660 -3.273 -12.270 1.00 0.00 C ATOM 631 CZ TYR A 41 -0.443 -2.633 -11.070 1.00 0.00 C ATOM 632 OH TYR A 41 -1.519 -2.220 -10.318 1.00 0.00 O ATOM 0 H TYR A 41 1.871 -5.821 -11.751 1.00 0.00 H new ATOM 0 HA TYR A 41 4.147 -5.710 -13.644 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.635 -3.190 -13.485 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.548 -4.179 -14.440 1.00 0.00 H new ATOM 0 HD1 TYR A 41 2.920 -2.674 -11.026 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.237 -4.196 -13.965 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.013 -1.914 -9.678 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -1.668 -3.442 -12.619 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.351 -2.450 -10.783 1.00 0.00 H new ATOM 642 N VAL A 42 5.587 -4.278 -11.996 1.00 0.00 N ATOM 643 CA VAL A 42 6.512 -3.849 -10.960 1.00 0.00 C ATOM 644 C VAL A 42 6.138 -2.457 -10.468 1.00 0.00 C ATOM 645 O VAL A 42 6.147 -1.495 -11.237 1.00 0.00 O ATOM 646 CB VAL A 42 7.971 -3.841 -11.465 1.00 0.00 C ATOM 647 CG1 VAL A 42 8.931 -3.478 -10.342 1.00 0.00 C ATOM 648 CG2 VAL A 42 8.339 -5.187 -12.069 1.00 0.00 C ATOM 0 H VAL A 42 5.887 -4.065 -12.947 1.00 0.00 H new ATOM 0 HA VAL A 42 6.440 -4.563 -10.140 1.00 0.00 H new ATOM 0 HB VAL A 42 8.055 -3.082 -12.243 1.00 0.00 H new ATOM 0 HG11 VAL A 42 9.953 -3.479 -10.722 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.687 -2.487 -9.961 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.843 -4.208 -9.537 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.371 -5.159 -12.418 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.232 -5.966 -11.314 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.678 -5.402 -12.908 1.00 0.00 H new ATOM 658 N MET A 43 5.787 -2.358 -9.194 1.00 0.00 N ATOM 659 CA MET A 43 5.423 -1.081 -8.596 1.00 0.00 C ATOM 660 C MET A 43 6.669 -0.234 -8.353 1.00 0.00 C ATOM 661 O MET A 43 7.419 -0.475 -7.409 1.00 0.00 O ATOM 662 CB MET A 43 4.660 -1.312 -7.289 1.00 0.00 C ATOM 663 CG MET A 43 4.236 -0.034 -6.587 1.00 0.00 C ATOM 664 SD MET A 43 3.155 -0.349 -5.179 1.00 0.00 S ATOM 665 CE MET A 43 1.737 -1.076 -6.000 1.00 0.00 C ATOM 0 H MET A 43 5.746 -3.150 -8.552 1.00 0.00 H new ATOM 0 HA MET A 43 4.774 -0.541 -9.285 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.773 -1.910 -7.499 1.00 0.00 H new ATOM 0 HB3 MET A 43 5.286 -1.895 -6.613 1.00 0.00 H new ATOM 0 HG2 MET A 43 5.122 0.502 -6.248 1.00 0.00 H new ATOM 0 HG3 MET A 43 3.723 0.614 -7.297 1.00 0.00 H new ATOM 0 HE1 MET A 43 0.834 -0.540 -5.709 1.00 0.00 H new ATOM 0 HE2 MET A 43 1.867 -1.007 -7.080 1.00 0.00 H new ATOM 0 HE3 MET A 43 1.647 -2.123 -5.711 1.00 0.00 H new ATOM 675 N THR A 44 6.898 0.738 -9.225 1.00 0.00 N ATOM 676 CA THR A 44 8.092 1.562 -9.145 1.00 0.00 C ATOM 677 C THR A 44 7.790 2.976 -8.657 1.00 0.00 C ATOM 678 O THR A 44 8.695 3.702 -8.248 1.00 0.00 O ATOM 679 CB THR A 44 8.796 1.629 -10.509 1.00 0.00 C ATOM 680 OG1 THR A 44 7.821 1.791 -11.549 1.00 0.00 O ATOM 681 CG2 THR A 44 9.611 0.370 -10.760 1.00 0.00 C ATOM 0 H THR A 44 6.272 0.974 -9.995 1.00 0.00 H new ATOM 0 HA THR A 44 8.750 1.090 -8.415 1.00 0.00 H new ATOM 0 HB THR A 44 9.473 2.483 -10.507 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.273 1.835 -12.417 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.100 0.441 -11.732 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.366 0.264 -9.981 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.952 -0.498 -10.748 1.00 0.00 H new ATOM 689 N ASP A 45 6.528 3.377 -8.701 1.00 0.00 N ATOM 690 CA ASP A 45 6.154 4.702 -8.229 1.00 0.00 C ATOM 691 C ASP A 45 6.094 4.723 -6.711 1.00 0.00 C ATOM 692 O ASP A 45 5.452 3.873 -6.086 1.00 0.00 O ATOM 693 CB ASP A 45 4.821 5.153 -8.810 1.00 0.00 C ATOM 694 CG ASP A 45 4.540 6.599 -8.471 1.00 0.00 C ATOM 695 OD1 ASP A 45 4.024 6.860 -7.373 1.00 0.00 O ATOM 696 OD2 ASP A 45 4.875 7.480 -9.290 1.00 0.00 O ATOM 0 H ASP A 45 5.755 2.813 -9.054 1.00 0.00 H new ATOM 0 HA ASP A 45 6.919 5.400 -8.570 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.831 5.026 -9.892 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.020 4.523 -8.422 1.00 0.00 H new ATOM 701 N ARG A 46 6.741 5.724 -6.130 1.00 0.00 N ATOM 702 CA ARG A 46 6.925 5.783 -4.684 1.00 0.00 C ATOM 703 C ARG A 46 5.590 6.060 -3.990 1.00 0.00 C ATOM 704 O ARG A 46 5.359 5.627 -2.850 1.00 0.00 O ATOM 705 CB ARG A 46 7.977 6.854 -4.284 1.00 0.00 C ATOM 706 CG ARG A 46 9.405 6.599 -4.768 1.00 0.00 C ATOM 707 CD ARG A 46 9.532 6.631 -6.282 1.00 0.00 C ATOM 708 NE ARG A 46 10.912 6.855 -6.708 1.00 0.00 N ATOM 709 CZ ARG A 46 11.531 6.155 -7.656 1.00 0.00 C ATOM 710 NH1 ARG A 46 10.931 5.126 -8.235 1.00 0.00 N ATOM 711 NH2 ARG A 46 12.764 6.480 -8.017 1.00 0.00 N ATOM 0 H ARG A 46 7.149 6.509 -6.638 1.00 0.00 H new ATOM 0 HA ARG A 46 7.301 4.814 -4.357 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.650 7.819 -4.670 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.991 6.934 -3.197 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.068 7.349 -4.337 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.740 5.629 -4.401 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.172 5.689 -6.697 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.896 7.420 -6.683 1.00 0.00 H new ATOM 0 HE ARG A 46 11.437 7.599 -6.247 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.986 4.863 -7.955 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.414 4.596 -8.960 1.00 0.00 H new ATOM 0 HH21 ARG A 46 13.237 7.265 -7.569 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.241 5.945 -8.743 1.00 0.00 H new ATOM 725 N LEU A 47 4.685 6.726 -4.703 1.00 0.00 N ATOM 726 CA LEU A 47 3.442 7.166 -4.118 1.00 0.00 C ATOM 727 C LEU A 47 2.456 6.017 -4.068 1.00 0.00 C ATOM 728 O LEU A 47 1.472 6.066 -3.333 1.00 0.00 O ATOM 729 CB LEU A 47 2.854 8.355 -4.893 1.00 0.00 C ATOM 730 CG LEU A 47 3.458 9.722 -4.577 1.00 0.00 C ATOM 731 CD1 LEU A 47 3.444 9.962 -3.080 1.00 0.00 C ATOM 732 CD2 LEU A 47 4.867 9.833 -5.141 1.00 0.00 C ATOM 0 H LEU A 47 4.799 6.968 -5.687 1.00 0.00 H new ATOM 0 HA LEU A 47 3.641 7.502 -3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.974 8.164 -5.959 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.783 8.398 -4.696 1.00 0.00 H new ATOM 0 HG LEU A 47 2.852 10.493 -5.053 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.877 10.939 -2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.417 9.931 -2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.028 9.188 -2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.277 10.815 -4.904 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.497 9.060 -4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.837 9.704 -6.223 1.00 0.00 H new ATOM 744 N ALA A 48 2.742 4.962 -4.822 1.00 0.00 N ATOM 745 CA ALA A 48 1.849 3.828 -4.885 1.00 0.00 C ATOM 746 C ALA A 48 2.091 2.948 -3.680 1.00 0.00 C ATOM 747 O ALA A 48 1.192 2.723 -2.866 1.00 0.00 O ATOM 748 CB ALA A 48 2.060 3.055 -6.174 1.00 0.00 C ATOM 0 H ALA A 48 3.583 4.875 -5.393 1.00 0.00 H new ATOM 0 HA ALA A 48 0.815 4.174 -4.875 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.379 2.205 -6.204 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.864 3.707 -7.025 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.089 2.698 -6.220 1.00 0.00 H new ATOM 754 N GLY A 49 3.322 2.447 -3.591 1.00 0.00 N ATOM 755 CA GLY A 49 3.798 1.795 -2.381 1.00 0.00 C ATOM 756 C GLY A 49 3.315 2.452 -1.087 1.00 0.00 C ATOM 757 O GLY A 49 2.839 1.753 -0.188 1.00 0.00 O ATOM 0 H GLY A 49 4.006 2.482 -4.347 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.474 0.754 -2.390 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.888 1.790 -2.388 1.00 0.00 H new ATOM 761 N CYS A 50 3.420 3.781 -0.969 1.00 0.00 N ATOM 762 CA CYS A 50 2.962 4.458 0.241 1.00 0.00 C ATOM 763 C CYS A 50 1.429 4.458 0.357 1.00 0.00 C ATOM 764 O CYS A 50 0.885 4.199 1.433 1.00 0.00 O ATOM 765 CB CYS A 50 3.508 5.888 0.297 1.00 0.00 C ATOM 766 SG CYS A 50 5.217 6.033 0.929 1.00 0.00 S ATOM 0 H CYS A 50 3.811 4.395 -1.683 1.00 0.00 H new ATOM 0 HA CYS A 50 3.351 3.900 1.093 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.469 6.316 -0.705 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.851 6.488 0.926 1.00 0.00 H new ATOM 771 N ALA A 51 0.732 4.714 -0.750 1.00 0.00 N ATOM 772 CA ALA A 51 -0.735 4.803 -0.745 1.00 0.00 C ATOM 773 C ALA A 51 -1.408 3.448 -0.549 1.00 0.00 C ATOM 774 O ALA A 51 -2.630 3.375 -0.417 1.00 0.00 O ATOM 775 CB ALA A 51 -1.235 5.453 -2.025 1.00 0.00 C ATOM 0 H ALA A 51 1.157 4.864 -1.665 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.007 5.424 0.109 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.323 5.510 -2.003 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.820 6.458 -2.109 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.920 4.858 -2.882 1.00 0.00 H new ATOM 781 N ILE A 52 -0.624 2.376 -0.540 1.00 0.00 N ATOM 782 CA ILE A 52 -1.151 1.056 -0.196 1.00 0.00 C ATOM 783 C ILE A 52 -1.793 1.090 1.195 1.00 0.00 C ATOM 784 O ILE A 52 -2.756 0.370 1.471 1.00 0.00 O ATOM 785 CB ILE A 52 -0.040 -0.026 -0.234 1.00 0.00 C ATOM 786 CG1 ILE A 52 0.532 -0.159 -1.651 1.00 0.00 C ATOM 787 CG2 ILE A 52 -0.563 -1.371 0.256 1.00 0.00 C ATOM 788 CD1 ILE A 52 -0.497 -0.547 -2.697 1.00 0.00 C ATOM 0 H ILE A 52 0.371 2.391 -0.765 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.905 0.795 -0.939 1.00 0.00 H new ATOM 0 HB ILE A 52 0.758 0.290 0.438 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.988 0.788 -1.938 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.326 -0.905 -1.643 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.238 -2.109 0.218 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.916 -1.272 1.282 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.386 -1.696 -0.381 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.015 -0.621 -3.672 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.936 -1.510 -2.436 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.280 0.210 -2.736 1.00 0.00 H new ATOM 800 N ASN A 53 -1.270 1.958 2.055 1.00 0.00 N ATOM 801 CA ASN A 53 -1.764 2.089 3.420 1.00 0.00 C ATOM 802 C ASN A 53 -1.673 3.546 3.876 1.00 0.00 C ATOM 803 O ASN A 53 -0.679 3.971 4.458 1.00 0.00 O ATOM 804 CB ASN A 53 -1.017 1.149 4.398 1.00 0.00 C ATOM 805 CG ASN A 53 0.488 1.396 4.517 1.00 0.00 C ATOM 806 OD1 ASN A 53 1.059 1.276 5.602 1.00 0.00 O ATOM 807 ND2 ASN A 53 1.153 1.704 3.413 1.00 0.00 N ATOM 0 H ASN A 53 -0.498 2.585 1.828 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.811 1.785 3.428 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -1.465 1.249 5.387 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -1.176 0.119 4.079 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.162 1.848 3.449 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.656 1.797 2.527 1.00 0.00 H new ATOM 814 N CYS A 54 -2.699 4.330 3.568 1.00 0.00 N ATOM 815 CA CYS A 54 -2.680 5.749 3.908 1.00 0.00 C ATOM 816 C CYS A 54 -3.720 6.111 4.975 1.00 0.00 C ATOM 817 O CYS A 54 -3.393 6.754 5.973 1.00 0.00 O ATOM 818 CB CYS A 54 -2.920 6.587 2.650 1.00 0.00 C ATOM 819 SG CYS A 54 -4.463 6.178 1.767 1.00 0.00 S ATOM 0 H CYS A 54 -3.543 4.014 3.091 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.697 5.968 4.324 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.941 7.641 2.927 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.078 6.452 1.971 1.00 0.00 H new ATOM 824 N LEU A 55 -4.956 5.652 4.789 1.00 0.00 N ATOM 825 CA LEU A 55 -6.078 6.095 5.619 1.00 0.00 C ATOM 826 C LEU A 55 -5.912 5.677 7.081 1.00 0.00 C ATOM 827 O LEU A 55 -5.900 6.516 7.986 1.00 0.00 O ATOM 828 CB LEU A 55 -7.394 5.545 5.062 1.00 0.00 C ATOM 829 CG LEU A 55 -8.658 6.008 5.793 1.00 0.00 C ATOM 830 CD1 LEU A 55 -8.803 7.520 5.706 1.00 0.00 C ATOM 831 CD2 LEU A 55 -9.888 5.321 5.219 1.00 0.00 C ATOM 0 H LEU A 55 -5.208 4.973 4.071 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.096 7.184 5.590 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.474 5.833 4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.355 4.456 5.092 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.567 5.732 6.843 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.707 7.830 6.231 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.936 7.996 6.164 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.870 7.819 4.660 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.776 5.662 5.750 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.981 5.566 4.161 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.789 4.242 5.334 1.00 0.00 H new ATOM 843 N ALA A 56 -5.730 4.388 7.307 1.00 0.00 N ATOM 844 CA ALA A 56 -5.696 3.870 8.666 1.00 0.00 C ATOM 845 C ALA A 56 -4.323 4.086 9.277 1.00 0.00 C ATOM 846 O ALA A 56 -4.149 3.993 10.491 1.00 0.00 O ATOM 847 CB ALA A 56 -6.067 2.395 8.677 1.00 0.00 C ATOM 0 H ALA A 56 -5.605 3.686 6.577 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.427 4.411 9.268 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.038 2.020 9.700 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.072 2.270 8.273 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.358 1.837 8.066 1.00 0.00 H new ATOM 853 N THR A 57 -3.362 4.415 8.429 1.00 0.00 N ATOM 854 CA THR A 57 -2.023 4.711 8.887 1.00 0.00 C ATOM 855 C THR A 57 -1.976 6.085 9.547 1.00 0.00 C ATOM 856 O THR A 57 -1.245 6.297 10.515 1.00 0.00 O ATOM 857 CB THR A 57 -1.015 4.645 7.728 1.00 0.00 C ATOM 858 OG1 THR A 57 -1.139 3.389 7.052 1.00 0.00 O ATOM 859 CG2 THR A 57 0.400 4.820 8.235 1.00 0.00 C ATOM 0 H THR A 57 -3.489 4.483 7.419 1.00 0.00 H new ATOM 0 HA THR A 57 -1.746 3.957 9.624 1.00 0.00 H new ATOM 0 HB THR A 57 -1.232 5.456 7.032 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.716 3.449 6.170 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.096 4.770 7.397 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.493 5.788 8.726 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.632 4.028 8.947 1.00 0.00 H new ATOM 867 N LYS A 58 -2.767 7.019 9.033 1.00 0.00 N ATOM 868 CA LYS A 58 -2.850 8.336 9.641 1.00 0.00 C ATOM 869 C LYS A 58 -3.795 8.306 10.835 1.00 0.00 C ATOM 870 O LYS A 58 -3.678 9.127 11.744 1.00 0.00 O ATOM 871 CB LYS A 58 -3.312 9.385 8.623 1.00 0.00 C ATOM 872 CG LYS A 58 -2.510 9.418 7.319 1.00 0.00 C ATOM 873 CD LYS A 58 -1.073 9.920 7.490 1.00 0.00 C ATOM 874 CE LYS A 58 -0.986 11.092 8.456 1.00 0.00 C ATOM 875 NZ LYS A 58 0.391 11.650 8.534 1.00 0.00 N ATOM 0 H LYS A 58 -3.352 6.890 8.208 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.854 8.615 9.985 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.359 9.200 8.383 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.260 10.369 9.089 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.486 8.415 6.892 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.026 10.057 6.602 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.446 9.105 7.852 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.677 10.220 6.520 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.677 11.874 8.140 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.303 10.769 9.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.421 12.401 9.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.057 10.895 8.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.659 12.044 7.610 1.00 0.00 H new ATOM 889 N LEU A 59 -4.726 7.357 10.833 1.00 0.00 N ATOM 890 CA LEU A 59 -5.607 7.166 11.972 1.00 0.00 C ATOM 891 C LEU A 59 -4.823 6.724 13.207 1.00 0.00 C ATOM 892 O LEU A 59 -4.784 7.447 14.205 1.00 0.00 O ATOM 893 CB LEU A 59 -6.700 6.159 11.643 1.00 0.00 C ATOM 894 CG LEU A 59 -7.710 6.644 10.602 1.00 0.00 C ATOM 895 CD1 LEU A 59 -8.772 5.593 10.384 1.00 0.00 C ATOM 896 CD2 LEU A 59 -8.337 7.963 11.033 1.00 0.00 C ATOM 0 H LEU A 59 -4.887 6.713 10.058 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.076 8.124 12.197 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.236 5.241 11.282 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.233 5.907 12.560 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.187 6.813 9.660 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.487 5.947 9.641 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.306 4.673 10.030 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.290 5.399 11.323 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.052 8.290 10.278 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.850 7.828 11.985 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.558 8.717 11.145 1.00 0.00 H new ATOM 908 N ASP A 60 -4.169 5.564 13.134 1.00 0.00 N ATOM 909 CA ASP A 60 -3.425 5.036 14.280 1.00 0.00 C ATOM 910 C ASP A 60 -2.676 3.769 13.900 1.00 0.00 C ATOM 911 O ASP A 60 -3.290 2.741 13.615 1.00 0.00 O ATOM 912 CB ASP A 60 -4.363 4.737 15.456 1.00 0.00 C ATOM 913 CG ASP A 60 -3.612 4.291 16.699 1.00 0.00 C ATOM 914 OD1 ASP A 60 -3.152 5.167 17.465 1.00 0.00 O ATOM 915 OD2 ASP A 60 -3.487 3.067 16.924 1.00 0.00 O ATOM 0 H ASP A 60 -4.139 4.976 12.301 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.709 5.799 14.584 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.946 5.628 15.688 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.070 3.961 15.164 1.00 0.00 H new ATOM 920 N VAL A 61 -1.352 3.845 13.893 1.00 0.00 N ATOM 921 CA VAL A 61 -0.529 2.693 13.548 1.00 0.00 C ATOM 922 C VAL A 61 0.948 2.989 13.853 1.00 0.00 C ATOM 923 O VAL A 61 1.865 2.464 13.215 1.00 0.00 O ATOM 924 CB VAL A 61 -0.718 2.348 12.049 1.00 0.00 C ATOM 925 CG1 VAL A 61 -0.067 3.400 11.174 1.00 0.00 C ATOM 926 CG2 VAL A 61 -0.183 0.968 11.718 1.00 0.00 C ATOM 0 H VAL A 61 -0.826 4.689 14.121 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.838 1.836 14.147 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.789 2.340 11.846 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.210 3.140 10.125 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.521 4.371 11.373 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.000 3.447 11.394 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.334 0.764 10.658 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.882 0.926 11.947 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.712 0.221 12.310 1.00 0.00 H new ATOM 936 N VAL A 62 1.182 3.788 14.880 1.00 0.00 N ATOM 937 CA VAL A 62 2.534 4.220 15.197 1.00 0.00 C ATOM 938 C VAL A 62 3.071 3.480 16.429 1.00 0.00 C ATOM 939 O VAL A 62 2.464 3.505 17.498 1.00 0.00 O ATOM 940 CB VAL A 62 2.611 5.762 15.398 1.00 0.00 C ATOM 941 CG1 VAL A 62 2.083 6.503 14.174 1.00 0.00 C ATOM 942 CG2 VAL A 62 1.849 6.208 16.638 1.00 0.00 C ATOM 0 H VAL A 62 0.461 4.149 15.504 1.00 0.00 H new ATOM 0 HA VAL A 62 3.166 3.968 14.345 1.00 0.00 H new ATOM 0 HB VAL A 62 3.663 6.010 15.535 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.149 7.578 14.343 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.679 6.235 13.302 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.043 6.226 14.002 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.927 7.290 16.743 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.800 5.927 16.541 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.274 5.726 17.519 1.00 0.00 H new ATOM 952 N ASP A 63 4.178 2.760 16.255 1.00 0.00 N ATOM 953 CA ASP A 63 4.830 2.083 17.374 1.00 0.00 C ATOM 954 C ASP A 63 5.598 3.070 18.264 1.00 0.00 C ATOM 955 O ASP A 63 5.350 3.133 19.466 1.00 0.00 O ATOM 956 CB ASP A 63 5.782 0.992 16.870 1.00 0.00 C ATOM 957 CG ASP A 63 5.826 -0.209 17.788 1.00 0.00 C ATOM 958 OD1 ASP A 63 6.108 -0.038 18.990 1.00 0.00 O ATOM 959 OD2 ASP A 63 5.593 -1.331 17.300 1.00 0.00 O ATOM 0 H ASP A 63 4.640 2.631 15.355 1.00 0.00 H new ATOM 0 HA ASP A 63 4.044 1.623 17.973 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.470 0.673 15.875 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.785 1.407 16.772 1.00 0.00 H new ATOM 964 N PRO A 64 6.539 3.868 17.698 1.00 0.00 N ATOM 965 CA PRO A 64 7.434 4.715 18.473 1.00 0.00 C ATOM 966 C PRO A 64 6.952 6.165 18.572 1.00 0.00 C ATOM 967 O PRO A 64 5.750 6.434 18.634 1.00 0.00 O ATOM 968 CB PRO A 64 8.734 4.638 17.650 1.00 0.00 C ATOM 969 CG PRO A 64 8.348 4.061 16.314 1.00 0.00 C ATOM 970 CD PRO A 64 6.847 4.034 16.282 1.00 0.00 C ATOM 0 HA PRO A 64 7.523 4.389 19.509 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.181 5.625 17.534 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.473 4.010 18.147 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.743 4.669 15.500 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.757 3.058 16.191 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.427 4.953 15.874 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.463 3.212 15.678 1.00 0.00 H new ATOM 978 N ASP A 65 7.910 7.091 18.545 1.00 0.00 N ATOM 979 CA ASP A 65 7.643 8.521 18.731 1.00 0.00 C ATOM 980 C ASP A 65 6.943 9.126 17.513 1.00 0.00 C ATOM 981 O ASP A 65 6.607 10.310 17.497 1.00 0.00 O ATOM 982 CB ASP A 65 8.966 9.261 18.974 1.00 0.00 C ATOM 983 CG ASP A 65 8.774 10.613 19.636 1.00 0.00 C ATOM 984 OD1 ASP A 65 8.686 10.660 20.882 1.00 0.00 O ATOM 985 OD2 ASP A 65 8.720 11.637 18.919 1.00 0.00 O ATOM 0 H ASP A 65 8.895 6.873 18.394 1.00 0.00 H new ATOM 0 HA ASP A 65 6.983 8.631 19.592 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.612 8.644 19.599 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.480 9.398 18.023 1.00 0.00 H new ATOM 990 N GLY A 66 6.716 8.308 16.499 1.00 0.00 N ATOM 991 CA GLY A 66 6.146 8.795 15.262 1.00 0.00 C ATOM 992 C GLY A 66 6.730 8.074 14.072 1.00 0.00 C ATOM 993 O GLY A 66 6.061 7.273 13.417 1.00 0.00 O ATOM 0 H GLY A 66 6.918 7.308 16.511 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.065 8.659 15.278 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.331 9.865 15.169 1.00 0.00 H new ATOM 997 N ASN A 67 7.999 8.341 13.829 1.00 0.00 N ATOM 998 CA ASN A 67 8.722 7.751 12.713 1.00 0.00 C ATOM 999 C ASN A 67 9.075 6.294 12.993 1.00 0.00 C ATOM 1000 O ASN A 67 9.243 5.902 14.145 1.00 0.00 O ATOM 1001 CB ASN A 67 10.003 8.551 12.450 1.00 0.00 C ATOM 1002 CG ASN A 67 10.834 8.742 13.711 1.00 0.00 C ATOM 1003 OD1 ASN A 67 10.644 9.708 14.448 1.00 0.00 O ATOM 1004 ND2 ASN A 67 11.760 7.831 13.966 1.00 0.00 N ATOM 0 H ASN A 67 8.560 8.974 14.399 1.00 0.00 H new ATOM 0 HA ASN A 67 8.079 7.783 11.834 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.601 8.037 11.698 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.742 9.526 12.039 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.345 7.917 14.797 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.889 7.043 13.331 1.00 0.00 H new ATOM 1011 N LEU A 68 9.146 5.497 11.927 1.00 0.00 N ATOM 1012 CA LEU A 68 9.636 4.118 11.995 1.00 0.00 C ATOM 1013 C LEU A 68 8.672 3.204 12.751 1.00 0.00 C ATOM 1014 O LEU A 68 9.097 2.297 13.467 1.00 0.00 O ATOM 1015 CB LEU A 68 11.038 4.051 12.632 1.00 0.00 C ATOM 1016 CG LEU A 68 12.232 4.357 11.707 1.00 0.00 C ATOM 1017 CD1 LEU A 68 12.350 3.319 10.599 1.00 0.00 C ATOM 1018 CD2 LEU A 68 12.130 5.755 11.115 1.00 0.00 C ATOM 0 H LEU A 68 8.865 5.788 10.991 1.00 0.00 H new ATOM 0 HA LEU A 68 9.702 3.760 10.967 1.00 0.00 H new ATOM 0 HB2 LEU A 68 11.066 4.751 13.467 1.00 0.00 H new ATOM 0 HB3 LEU A 68 11.176 3.053 13.047 1.00 0.00 H new ATOM 0 HG LEU A 68 13.134 4.311 12.317 1.00 0.00 H new ATOM 0 HD11 LEU A 68 13.201 3.561 9.963 1.00 0.00 H new ATOM 0 HD12 LEU A 68 12.495 2.332 11.039 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.438 3.319 10.001 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.987 5.939 10.468 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.212 5.838 10.534 1.00 0.00 H new ATOM 0 HD23 LEU A 68 12.118 6.491 11.919 1.00 0.00 H new ATOM 1030 N HIS A 69 7.373 3.417 12.570 1.00 0.00 N ATOM 1031 CA HIS A 69 6.373 2.527 13.151 1.00 0.00 C ATOM 1032 C HIS A 69 6.333 1.183 12.420 1.00 0.00 C ATOM 1033 O HIS A 69 5.501 0.960 11.548 1.00 0.00 O ATOM 1034 CB HIS A 69 4.984 3.178 13.153 1.00 0.00 C ATOM 1035 CG HIS A 69 4.600 3.886 11.875 1.00 0.00 C ATOM 1036 ND1 HIS A 69 4.163 3.231 10.741 1.00 0.00 N ATOM 1037 CD2 HIS A 69 4.578 5.206 11.568 1.00 0.00 C ATOM 1038 CE1 HIS A 69 3.890 4.116 9.800 1.00 0.00 C ATOM 1039 NE2 HIS A 69 4.132 5.321 10.277 1.00 0.00 N ATOM 0 H HIS A 69 6.989 4.192 12.030 1.00 0.00 H new ATOM 0 HA HIS A 69 6.664 2.342 14.185 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.241 2.408 13.360 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.938 3.894 13.973 1.00 0.00 H new ATOM 0 HD1 HIS A 69 4.066 2.220 10.645 1.00 0.00 H new ATOM 0 HD2 HIS A 69 4.860 6.019 12.221 1.00 0.00 H new ATOM 0 HE1 HIS A 69 3.529 3.891 8.807 1.00 0.00 H new ATOM 1048 N HIS A 70 7.270 0.311 12.767 1.00 0.00 N ATOM 1049 CA HIS A 70 7.399 -0.987 12.112 1.00 0.00 C ATOM 1050 C HIS A 70 6.522 -2.072 12.756 1.00 0.00 C ATOM 1051 O HIS A 70 5.638 -2.624 12.105 1.00 0.00 O ATOM 1052 CB HIS A 70 8.879 -1.426 12.052 1.00 0.00 C ATOM 1053 CG HIS A 70 9.634 -1.347 13.356 1.00 0.00 C ATOM 1054 ND1 HIS A 70 10.112 -0.165 13.886 1.00 0.00 N ATOM 1055 CD2 HIS A 70 10.013 -2.315 14.224 1.00 0.00 C ATOM 1056 CE1 HIS A 70 10.748 -0.416 15.014 1.00 0.00 C ATOM 1057 NE2 HIS A 70 10.704 -1.712 15.244 1.00 0.00 N ATOM 0 H HIS A 70 7.956 0.479 13.503 1.00 0.00 H new ATOM 0 HA HIS A 70 7.032 -0.863 11.093 1.00 0.00 H new ATOM 0 HB2 HIS A 70 8.921 -2.453 11.690 1.00 0.00 H new ATOM 0 HB3 HIS A 70 9.394 -0.808 11.316 1.00 0.00 H new ATOM 0 HD1 HIS A 70 9.992 0.759 13.470 1.00 0.00 H new ATOM 0 HD2 HIS A 70 9.808 -3.371 14.130 1.00 0.00 H new ATOM 0 HE1 HIS A 70 11.226 0.319 15.644 1.00 0.00 H new ATOM 1066 N GLY A 71 6.743 -2.346 14.041 1.00 0.00 N ATOM 1067 CA GLY A 71 6.117 -3.499 14.685 1.00 0.00 C ATOM 1068 C GLY A 71 4.608 -3.419 14.718 1.00 0.00 C ATOM 1069 O GLY A 71 3.922 -4.246 14.116 1.00 0.00 O ATOM 0 H GLY A 71 7.344 -1.792 14.651 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.414 -4.406 14.159 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.492 -3.585 15.705 1.00 0.00 H new ATOM 1073 N ASN A 72 4.101 -2.421 15.420 1.00 0.00 N ATOM 1074 CA ASN A 72 2.658 -2.237 15.585 1.00 0.00 C ATOM 1075 C ASN A 72 1.937 -2.106 14.237 1.00 0.00 C ATOM 1076 O ASN A 72 0.754 -2.414 14.135 1.00 0.00 O ATOM 1077 CB ASN A 72 2.377 -1.016 16.478 1.00 0.00 C ATOM 1078 CG ASN A 72 0.920 -0.907 16.900 1.00 0.00 C ATOM 1079 OD1 ASN A 72 0.206 -1.906 16.981 1.00 0.00 O ATOM 1080 ND2 ASN A 72 0.481 0.306 17.205 1.00 0.00 N ATOM 0 H ASN A 72 4.668 -1.716 15.891 1.00 0.00 H new ATOM 0 HA ASN A 72 2.264 -3.129 16.072 1.00 0.00 H new ATOM 0 HB2 ASN A 72 3.003 -1.073 17.368 1.00 0.00 H new ATOM 0 HB3 ASN A 72 2.663 -0.110 15.944 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.480 0.436 17.520 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.105 1.109 17.125 1.00 0.00 H new ATOM 1087 N ALA A 73 2.653 -1.673 13.197 1.00 0.00 N ATOM 1088 CA ALA A 73 2.061 -1.551 11.868 1.00 0.00 C ATOM 1089 C ALA A 73 1.872 -2.920 11.222 1.00 0.00 C ATOM 1090 O ALA A 73 0.881 -3.175 10.533 1.00 0.00 O ATOM 1091 CB ALA A 73 2.920 -0.664 10.982 1.00 0.00 C ATOM 0 H ALA A 73 3.635 -1.404 13.251 1.00 0.00 H new ATOM 0 HA ALA A 73 1.079 -1.090 11.979 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.464 -0.584 9.995 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.998 0.328 11.427 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.915 -1.099 10.887 1.00 0.00 H new ATOM 1097 N LYS A 74 2.809 -3.817 11.474 1.00 0.00 N ATOM 1098 CA LYS A 74 2.727 -5.150 10.904 1.00 0.00 C ATOM 1099 C LYS A 74 1.752 -5.985 11.716 1.00 0.00 C ATOM 1100 O LYS A 74 1.040 -6.827 11.173 1.00 0.00 O ATOM 1101 CB LYS A 74 4.098 -5.814 10.851 1.00 0.00 C ATOM 1102 CG LYS A 74 5.153 -4.963 10.164 1.00 0.00 C ATOM 1103 CD LYS A 74 4.637 -4.303 8.892 1.00 0.00 C ATOM 1104 CE LYS A 74 4.548 -5.278 7.730 1.00 0.00 C ATOM 1105 NZ LYS A 74 4.049 -4.614 6.496 1.00 0.00 N ATOM 0 H LYS A 74 3.626 -3.650 12.062 1.00 0.00 H new ATOM 0 HA LYS A 74 2.366 -5.073 9.878 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.426 -6.036 11.867 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.013 -6.766 10.328 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.499 -4.193 10.854 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.015 -5.585 9.922 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.652 -3.876 9.081 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.295 -3.478 8.621 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.531 -5.709 7.540 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.884 -6.101 7.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.001 -5.308 5.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.101 -4.224 6.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.696 -3.844 6.230 1.00 0.00 H new ATOM 1119 N ASP A 75 1.711 -5.725 13.020 1.00 0.00 N ATOM 1120 CA ASP A 75 0.709 -6.324 13.895 1.00 0.00 C ATOM 1121 C ASP A 75 -0.678 -5.830 13.497 1.00 0.00 C ATOM 1122 O ASP A 75 -1.655 -6.577 13.529 1.00 0.00 O ATOM 1123 CB ASP A 75 0.996 -5.970 15.355 1.00 0.00 C ATOM 1124 CG ASP A 75 0.002 -6.598 16.314 1.00 0.00 C ATOM 1125 OD1 ASP A 75 0.246 -7.731 16.768 1.00 0.00 O ATOM 1126 OD2 ASP A 75 -1.025 -5.957 16.626 1.00 0.00 O ATOM 0 H ASP A 75 2.363 -5.101 13.495 1.00 0.00 H new ATOM 0 HA ASP A 75 0.748 -7.408 13.790 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.002 -6.299 15.614 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.975 -4.887 15.473 1.00 0.00 H new ATOM 1131 N PHE A 76 -0.735 -4.561 13.103 1.00 0.00 N ATOM 1132 CA PHE A 76 -1.954 -3.948 12.586 1.00 0.00 C ATOM 1133 C PHE A 76 -2.469 -4.727 11.377 1.00 0.00 C ATOM 1134 O PHE A 76 -3.674 -4.897 11.201 1.00 0.00 O ATOM 1135 CB PHE A 76 -1.666 -2.490 12.210 1.00 0.00 C ATOM 1136 CG PHE A 76 -2.837 -1.740 11.643 1.00 0.00 C ATOM 1137 CD1 PHE A 76 -3.791 -1.181 12.479 1.00 0.00 C ATOM 1138 CD2 PHE A 76 -2.981 -1.586 10.273 1.00 0.00 C ATOM 1139 CE1 PHE A 76 -4.864 -0.485 11.958 1.00 0.00 C ATOM 1140 CE2 PHE A 76 -4.053 -0.892 9.748 1.00 0.00 C ATOM 1141 CZ PHE A 76 -4.996 -0.343 10.592 1.00 0.00 C ATOM 0 H PHE A 76 0.064 -3.928 13.133 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.727 -3.972 13.354 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.312 -1.965 13.097 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.854 -2.471 11.483 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.694 -1.291 13.549 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.246 -2.014 9.608 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -5.600 -0.052 12.620 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.153 -0.779 8.679 1.00 0.00 H new ATOM 0 HZ PHE A 76 -5.837 0.198 10.184 1.00 0.00 H new ATOM 1151 N ALA A 77 -1.543 -5.216 10.558 1.00 0.00 N ATOM 1152 CA ALA A 77 -1.897 -6.064 9.422 1.00 0.00 C ATOM 1153 C ALA A 77 -2.386 -7.426 9.894 1.00 0.00 C ATOM 1154 O ALA A 77 -3.313 -7.998 9.325 1.00 0.00 O ATOM 1155 CB ALA A 77 -0.695 -6.247 8.508 1.00 0.00 C ATOM 0 H ALA A 77 -0.543 -5.041 10.658 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.700 -5.573 8.872 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.972 -6.881 7.665 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.367 -5.275 8.139 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.117 -6.716 9.064 1.00 0.00 H new ATOM 1161 N MET A 78 -1.772 -7.923 10.953 1.00 0.00 N ATOM 1162 CA MET A 78 -2.066 -9.257 11.472 1.00 0.00 C ATOM 1163 C MET A 78 -3.470 -9.347 12.038 1.00 0.00 C ATOM 1164 O MET A 78 -4.130 -10.379 11.921 1.00 0.00 O ATOM 1165 CB MET A 78 -1.068 -9.629 12.572 1.00 0.00 C ATOM 1166 CG MET A 78 0.381 -9.599 12.129 1.00 0.00 C ATOM 1167 SD MET A 78 1.529 -9.950 13.472 1.00 0.00 S ATOM 1168 CE MET A 78 3.062 -9.385 12.740 1.00 0.00 C ATOM 0 H MET A 78 -1.058 -7.420 11.479 1.00 0.00 H new ATOM 0 HA MET A 78 -1.983 -9.951 10.635 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.195 -8.943 13.410 1.00 0.00 H new ATOM 0 HB3 MET A 78 -1.304 -10.628 12.939 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.528 -10.328 11.332 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.608 -8.619 11.710 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.904 -9.782 13.307 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.123 -9.733 11.709 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.094 -8.296 12.757 1.00 0.00 H new ATOM 1178 N LYS A 79 -3.928 -8.280 12.664 1.00 0.00 N ATOM 1179 CA LYS A 79 -5.231 -8.301 13.290 1.00 0.00 C ATOM 1180 C LYS A 79 -6.302 -7.905 12.283 1.00 0.00 C ATOM 1181 O LYS A 79 -7.488 -8.135 12.510 1.00 0.00 O ATOM 1182 CB LYS A 79 -5.254 -7.373 14.515 1.00 0.00 C ATOM 1183 CG LYS A 79 -4.062 -7.566 15.439 1.00 0.00 C ATOM 1184 CD LYS A 79 -4.076 -8.930 16.109 1.00 0.00 C ATOM 1185 CE LYS A 79 -2.779 -9.198 16.859 1.00 0.00 C ATOM 1186 NZ LYS A 79 -2.407 -8.071 17.756 1.00 0.00 N ATOM 0 H LYS A 79 -3.422 -7.398 12.751 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.442 -9.314 13.633 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.279 -6.337 14.177 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.172 -7.547 15.077 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.140 -7.451 14.870 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.065 -6.787 16.202 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.916 -8.988 16.801 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.229 -9.704 15.357 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.883 -10.110 17.447 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.976 -9.371 16.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.607 -8.355 18.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.134 -7.247 17.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.219 -7.822 18.356 1.00 0.00 H new ATOM 1200 N HIS A 80 -5.887 -7.327 11.155 1.00 0.00 N ATOM 1201 CA HIS A 80 -6.842 -6.822 10.173 1.00 0.00 C ATOM 1202 C HIS A 80 -6.418 -7.194 8.756 1.00 0.00 C ATOM 1203 O HIS A 80 -5.667 -6.460 8.119 1.00 0.00 O ATOM 1204 CB HIS A 80 -6.976 -5.294 10.265 1.00 0.00 C ATOM 1205 CG HIS A 80 -6.965 -4.760 11.662 1.00 0.00 C ATOM 1206 ND1 HIS A 80 -6.066 -3.812 12.093 1.00 0.00 N ATOM 1207 CD2 HIS A 80 -7.729 -5.062 12.731 1.00 0.00 C ATOM 1208 CE1 HIS A 80 -6.278 -3.557 13.368 1.00 0.00 C ATOM 1209 NE2 HIS A 80 -7.281 -4.301 13.780 1.00 0.00 N ATOM 0 H HIS A 80 -4.907 -7.199 10.902 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.804 -7.283 10.397 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -6.161 -4.835 9.706 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -7.904 -4.992 9.780 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -5.348 -3.375 11.516 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -8.543 -5.772 12.756 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -5.722 -2.856 13.973 1.00 0.00 H new ATOM 1218 N GLY A 81 -6.858 -8.351 8.280 1.00 0.00 N ATOM 1219 CA GLY A 81 -6.648 -8.690 6.888 1.00 0.00 C ATOM 1220 C GLY A 81 -5.666 -9.819 6.715 1.00 0.00 C ATOM 1221 O GLY A 81 -6.009 -10.885 6.198 1.00 0.00 O ATOM 0 H GLY A 81 -7.352 -9.055 8.828 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.600 -8.968 6.437 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.286 -7.812 6.353 1.00 0.00 H new ATOM 1225 N ALA A 82 -4.447 -9.587 7.151 1.00 0.00 N ATOM 1226 CA ALA A 82 -3.391 -10.552 7.000 1.00 0.00 C ATOM 1227 C ALA A 82 -3.487 -11.627 8.064 1.00 0.00 C ATOM 1228 O ALA A 82 -3.644 -11.337 9.248 1.00 0.00 O ATOM 1229 CB ALA A 82 -2.049 -9.850 7.061 1.00 0.00 C ATOM 0 H ALA A 82 -4.165 -8.725 7.618 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.492 -11.038 6.030 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.250 -10.582 6.946 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.986 -9.115 6.258 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.945 -9.347 8.022 1.00 0.00 H new ATOM 1235 N ASP A 83 -3.391 -12.872 7.629 1.00 0.00 N ATOM 1236 CA ASP A 83 -3.356 -13.994 8.545 1.00 0.00 C ATOM 1237 C ASP A 83 -2.015 -14.054 9.186 1.00 0.00 C ATOM 1238 O ASP A 83 -1.005 -13.656 8.603 1.00 0.00 O ATOM 1239 CB ASP A 83 -3.673 -15.308 7.828 1.00 0.00 C ATOM 1240 CG ASP A 83 -5.124 -15.413 7.404 1.00 0.00 C ATOM 1241 OD1 ASP A 83 -5.978 -14.736 8.012 1.00 0.00 O ATOM 1242 OD2 ASP A 83 -5.417 -16.192 6.473 1.00 0.00 O ATOM 0 H ASP A 83 -3.336 -13.129 6.644 1.00 0.00 H new ATOM 0 HA ASP A 83 -4.120 -13.852 9.309 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.035 -15.399 6.949 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -3.431 -16.143 8.486 1.00 0.00 H new ATOM 1247 N GLU A 84 -2.029 -14.544 10.398 1.00 0.00 N ATOM 1248 CA GLU A 84 -0.869 -14.590 11.229 1.00 0.00 C ATOM 1249 C GLU A 84 0.274 -15.341 10.532 1.00 0.00 C ATOM 1250 O GLU A 84 1.437 -14.971 10.671 1.00 0.00 O ATOM 1251 CB GLU A 84 -1.295 -15.201 12.567 1.00 0.00 C ATOM 1252 CG GLU A 84 -0.277 -16.084 13.220 1.00 0.00 C ATOM 1253 CD GLU A 84 0.805 -15.312 13.942 1.00 0.00 C ATOM 1254 OE1 GLU A 84 0.469 -14.480 14.813 1.00 0.00 O ATOM 1255 OE2 GLU A 84 1.992 -15.531 13.648 1.00 0.00 O ATOM 0 H GLU A 84 -2.866 -14.928 10.837 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.467 -13.595 11.418 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.545 -14.392 13.254 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.206 -15.779 12.410 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.778 -16.743 13.928 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.182 -16.720 12.463 1.00 0.00 H new ATOM 1262 N THR A 85 -0.062 -16.352 9.730 1.00 0.00 N ATOM 1263 CA THR A 85 0.943 -17.084 8.985 1.00 0.00 C ATOM 1264 C THR A 85 1.462 -16.252 7.796 1.00 0.00 C ATOM 1265 O THR A 85 2.602 -16.406 7.380 1.00 0.00 O ATOM 1266 CB THR A 85 0.404 -18.458 8.504 1.00 0.00 C ATOM 1267 OG1 THR A 85 1.442 -19.440 8.566 1.00 0.00 O ATOM 1268 CG2 THR A 85 -0.126 -18.396 7.079 1.00 0.00 C ATOM 0 H THR A 85 -1.018 -16.675 9.585 1.00 0.00 H new ATOM 0 HA THR A 85 1.779 -17.274 9.659 1.00 0.00 H new ATOM 0 HB THR A 85 -0.418 -18.730 9.166 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.093 -20.304 8.262 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.493 -19.379 6.784 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.940 -17.674 7.025 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.675 -18.091 6.406 1.00 0.00 H new ATOM 1276 N MET A 86 0.650 -15.327 7.276 1.00 0.00 N ATOM 1277 CA MET A 86 1.046 -14.600 6.074 1.00 0.00 C ATOM 1278 C MET A 86 1.873 -13.409 6.481 1.00 0.00 C ATOM 1279 O MET A 86 2.851 -13.056 5.832 1.00 0.00 O ATOM 1280 CB MET A 86 -0.163 -14.141 5.254 1.00 0.00 C ATOM 1281 CG MET A 86 -1.250 -15.187 5.144 1.00 0.00 C ATOM 1282 SD MET A 86 -2.511 -14.771 3.915 1.00 0.00 S ATOM 1283 CE MET A 86 -2.978 -13.110 4.400 1.00 0.00 C ATOM 0 H MET A 86 -0.260 -15.071 7.658 1.00 0.00 H new ATOM 0 HA MET A 86 1.626 -15.272 5.441 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.580 -13.242 5.708 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.170 -13.868 4.253 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.800 -16.145 4.884 1.00 0.00 H new ATOM 0 HG3 MET A 86 -1.726 -15.312 6.117 1.00 0.00 H new ATOM 0 HE1 MET A 86 -4.050 -13.075 4.594 1.00 0.00 H new ATOM 0 HE2 MET A 86 -2.437 -12.829 5.304 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.731 -12.414 3.598 1.00 0.00 H new ATOM 1293 N ALA A 87 1.464 -12.802 7.576 1.00 0.00 N ATOM 1294 CA ALA A 87 2.189 -11.700 8.154 1.00 0.00 C ATOM 1295 C ALA A 87 3.560 -12.166 8.609 1.00 0.00 C ATOM 1296 O ALA A 87 4.559 -11.506 8.353 1.00 0.00 O ATOM 1297 CB ALA A 87 1.398 -11.137 9.313 1.00 0.00 C ATOM 0 H ALA A 87 0.620 -13.062 8.087 1.00 0.00 H new ATOM 0 HA ALA A 87 2.327 -10.916 7.409 1.00 0.00 H new ATOM 0 HB1 ALA A 87 1.943 -10.302 9.754 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.428 -10.790 8.957 1.00 0.00 H new ATOM 0 HB3 ALA A 87 1.252 -11.913 10.065 1.00 0.00 H new ATOM 1303 N GLN A 88 3.604 -13.337 9.230 1.00 0.00 N ATOM 1304 CA GLN A 88 4.854 -13.851 9.788 1.00 0.00 C ATOM 1305 C GLN A 88 5.769 -14.377 8.691 1.00 0.00 C ATOM 1306 O GLN A 88 6.991 -14.397 8.842 1.00 0.00 O ATOM 1307 CB GLN A 88 4.573 -14.931 10.834 1.00 0.00 C ATOM 1308 CG GLN A 88 4.667 -14.412 12.262 1.00 0.00 C ATOM 1309 CD GLN A 88 4.006 -13.056 12.443 1.00 0.00 C ATOM 1310 OE1 GLN A 88 4.646 -12.020 12.264 1.00 0.00 O ATOM 1311 NE2 GLN A 88 2.733 -13.047 12.805 1.00 0.00 N ATOM 0 H GLN A 88 2.797 -13.947 9.361 1.00 0.00 H new ATOM 0 HA GLN A 88 5.369 -13.026 10.281 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.577 -15.341 10.667 1.00 0.00 H new ATOM 0 HB3 GLN A 88 5.281 -15.749 10.703 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.201 -15.131 12.936 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.716 -14.340 12.549 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.236 -13.927 12.944 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.249 -12.160 12.945 1.00 0.00 H new ATOM 1320 N GLN A 89 5.177 -14.784 7.579 1.00 0.00 N ATOM 1321 CA GLN A 89 5.947 -15.192 6.414 1.00 0.00 C ATOM 1322 C GLN A 89 6.448 -13.966 5.642 1.00 0.00 C ATOM 1323 O GLN A 89 7.451 -14.034 4.934 1.00 0.00 O ATOM 1324 CB GLN A 89 5.094 -16.092 5.514 1.00 0.00 C ATOM 1325 CG GLN A 89 5.317 -17.590 5.722 1.00 0.00 C ATOM 1326 CD GLN A 89 5.420 -18.002 7.183 1.00 0.00 C ATOM 1327 OE1 GLN A 89 6.500 -17.978 7.775 1.00 0.00 O ATOM 1328 NE2 GLN A 89 4.305 -18.423 7.758 1.00 0.00 N ATOM 0 H GLN A 89 4.166 -14.841 7.458 1.00 0.00 H new ATOM 0 HA GLN A 89 6.818 -15.757 6.747 1.00 0.00 H new ATOM 0 HB2 GLN A 89 4.042 -15.866 5.688 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.304 -15.847 4.473 1.00 0.00 H new ATOM 0 HG2 GLN A 89 4.497 -18.137 5.258 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.230 -17.886 5.206 1.00 0.00 H new ATOM 0 HE21 GLN A 89 3.431 -18.427 7.233 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.320 -18.743 8.726 1.00 0.00 H new ATOM 1337 N LEU A 90 5.757 -12.842 5.804 1.00 0.00 N ATOM 1338 CA LEU A 90 6.118 -11.601 5.120 1.00 0.00 C ATOM 1339 C LEU A 90 7.160 -10.813 5.915 1.00 0.00 C ATOM 1340 O LEU A 90 8.173 -10.374 5.366 1.00 0.00 O ATOM 1341 CB LEU A 90 4.872 -10.734 4.914 1.00 0.00 C ATOM 1342 CG LEU A 90 5.121 -9.344 4.321 1.00 0.00 C ATOM 1343 CD1 LEU A 90 5.686 -9.445 2.915 1.00 0.00 C ATOM 1344 CD2 LEU A 90 3.837 -8.535 4.324 1.00 0.00 C ATOM 0 H LEU A 90 4.938 -12.763 6.407 1.00 0.00 H new ATOM 0 HA LEU A 90 6.547 -11.865 4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.183 -11.270 4.261 1.00 0.00 H new ATOM 0 HB3 LEU A 90 4.372 -10.615 5.875 1.00 0.00 H new ATOM 0 HG LEU A 90 5.857 -8.834 4.942 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.853 -8.444 2.517 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.631 -9.988 2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.980 -9.976 2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.027 -7.549 3.900 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.083 -9.047 3.727 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.478 -8.427 5.347 1.00 0.00 H new ATOM 1356 N VAL A 91 6.908 -10.650 7.210 1.00 0.00 N ATOM 1357 CA VAL A 91 7.745 -9.822 8.080 1.00 0.00 C ATOM 1358 C VAL A 91 9.201 -10.280 8.090 1.00 0.00 C ATOM 1359 O VAL A 91 10.116 -9.458 8.140 1.00 0.00 O ATOM 1360 CB VAL A 91 7.214 -9.822 9.528 1.00 0.00 C ATOM 1361 CG1 VAL A 91 5.891 -9.077 9.627 1.00 0.00 C ATOM 1362 CG2 VAL A 91 7.074 -11.240 10.032 1.00 0.00 C ATOM 0 H VAL A 91 6.120 -11.086 7.688 1.00 0.00 H new ATOM 0 HA VAL A 91 7.701 -8.813 7.671 1.00 0.00 H new ATOM 0 HB VAL A 91 7.934 -9.299 10.158 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.541 -9.093 10.659 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.030 -8.044 9.307 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.153 -9.559 8.986 1.00 0.00 H new ATOM 0 HG21 VAL A 91 6.698 -11.227 11.055 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.376 -11.785 9.396 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.046 -11.732 10.009 1.00 0.00 H new ATOM 1372 N ASP A 92 9.413 -11.587 8.023 1.00 0.00 N ATOM 1373 CA ASP A 92 10.757 -12.136 8.070 1.00 0.00 C ATOM 1374 C ASP A 92 11.552 -11.677 6.856 1.00 0.00 C ATOM 1375 O ASP A 92 12.709 -11.274 6.972 1.00 0.00 O ATOM 1376 CB ASP A 92 10.711 -13.664 8.154 1.00 0.00 C ATOM 1377 CG ASP A 92 12.090 -14.289 8.037 1.00 0.00 C ATOM 1378 OD1 ASP A 92 12.830 -14.293 9.046 1.00 0.00 O ATOM 1379 OD2 ASP A 92 12.441 -14.783 6.946 1.00 0.00 O ATOM 0 H ASP A 92 8.673 -12.283 7.936 1.00 0.00 H new ATOM 0 HA ASP A 92 11.257 -11.768 8.966 1.00 0.00 H new ATOM 0 HB2 ASP A 92 10.259 -13.960 9.101 1.00 0.00 H new ATOM 0 HB3 ASP A 92 10.071 -14.050 7.361 1.00 0.00 H new ATOM 1384 N ILE A 93 10.906 -11.689 5.698 1.00 0.00 N ATOM 1385 CA ILE A 93 11.520 -11.192 4.484 1.00 0.00 C ATOM 1386 C ILE A 93 11.767 -9.696 4.575 1.00 0.00 C ATOM 1387 O ILE A 93 12.821 -9.213 4.180 1.00 0.00 O ATOM 1388 CB ILE A 93 10.659 -11.504 3.248 1.00 0.00 C ATOM 1389 CG1 ILE A 93 10.921 -12.930 2.783 1.00 0.00 C ATOM 1390 CG2 ILE A 93 10.907 -10.513 2.123 1.00 0.00 C ATOM 1391 CD1 ILE A 93 12.390 -13.307 2.772 1.00 0.00 C ATOM 0 H ILE A 93 9.955 -12.039 5.578 1.00 0.00 H new ATOM 0 HA ILE A 93 12.476 -11.703 4.374 1.00 0.00 H new ATOM 0 HB ILE A 93 9.611 -11.408 3.532 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.383 -13.620 3.433 1.00 0.00 H new ATOM 0 HG13 ILE A 93 10.515 -13.056 1.779 1.00 0.00 H new ATOM 0 HG21 ILE A 93 10.280 -10.768 1.269 1.00 0.00 H new ATOM 0 HG22 ILE A 93 10.664 -9.507 2.464 1.00 0.00 H new ATOM 0 HG23 ILE A 93 11.956 -10.552 1.828 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.499 -14.336 2.430 1.00 0.00 H new ATOM 0 HD12 ILE A 93 12.931 -12.642 2.099 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.797 -13.214 3.779 1.00 0.00 H new ATOM 1403 N ILE A 94 10.798 -8.968 5.107 1.00 0.00 N ATOM 1404 CA ILE A 94 10.922 -7.518 5.221 1.00 0.00 C ATOM 1405 C ILE A 94 12.190 -7.136 5.983 1.00 0.00 C ATOM 1406 O ILE A 94 12.964 -6.297 5.530 1.00 0.00 O ATOM 1407 CB ILE A 94 9.701 -6.883 5.894 1.00 0.00 C ATOM 1408 CG1 ILE A 94 8.442 -7.265 5.124 1.00 0.00 C ATOM 1409 CG2 ILE A 94 9.843 -5.363 5.948 1.00 0.00 C ATOM 1410 CD1 ILE A 94 7.196 -6.704 5.738 1.00 0.00 C ATOM 0 H ILE A 94 9.923 -9.350 5.465 1.00 0.00 H new ATOM 0 HA ILE A 94 10.984 -7.129 4.205 1.00 0.00 H new ATOM 0 HB ILE A 94 9.629 -7.254 6.916 1.00 0.00 H new ATOM 0 HG12 ILE A 94 8.528 -6.910 4.097 1.00 0.00 H new ATOM 0 HG13 ILE A 94 8.363 -8.351 5.080 1.00 0.00 H new ATOM 0 HG21 ILE A 94 8.965 -4.932 6.430 1.00 0.00 H new ATOM 0 HG22 ILE A 94 10.735 -5.101 6.518 1.00 0.00 H new ATOM 0 HG23 ILE A 94 9.931 -4.970 4.935 1.00 0.00 H new ATOM 0 HD11 ILE A 94 6.331 -7.008 5.148 1.00 0.00 H new ATOM 0 HD12 ILE A 94 7.091 -7.079 6.756 1.00 0.00 H new ATOM 0 HD13 ILE A 94 7.258 -5.616 5.757 1.00 0.00 H new ATOM 1422 N HIS A 95 12.427 -7.782 7.119 1.00 0.00 N ATOM 1423 CA HIS A 95 13.619 -7.491 7.911 1.00 0.00 C ATOM 1424 C HIS A 95 14.885 -7.983 7.215 1.00 0.00 C ATOM 1425 O HIS A 95 15.937 -7.344 7.297 1.00 0.00 O ATOM 1426 CB HIS A 95 13.535 -8.142 9.292 1.00 0.00 C ATOM 1427 CG HIS A 95 12.415 -7.653 10.148 1.00 0.00 C ATOM 1428 ND1 HIS A 95 12.531 -7.505 11.504 1.00 0.00 N ATOM 1429 CD2 HIS A 95 11.135 -7.335 9.848 1.00 0.00 C ATOM 1430 CE1 HIS A 95 11.376 -7.123 11.998 1.00 0.00 C ATOM 1431 NE2 HIS A 95 10.505 -7.011 11.019 1.00 0.00 N ATOM 0 H HIS A 95 11.819 -8.502 7.510 1.00 0.00 H new ATOM 0 HA HIS A 95 13.667 -6.407 8.020 1.00 0.00 H new ATOM 0 HB2 HIS A 95 13.432 -9.220 9.164 1.00 0.00 H new ATOM 0 HB3 HIS A 95 14.475 -7.971 9.816 1.00 0.00 H new ATOM 0 HD2 HIS A 95 10.691 -7.336 8.864 1.00 0.00 H new ATOM 0 HE1 HIS A 95 11.174 -6.931 13.041 1.00 0.00 H new ATOM 0 HE2 HIS A 95 9.529 -6.731 11.116 1.00 0.00 H new ATOM 1440 N GLY A 96 14.775 -9.097 6.507 1.00 0.00 N ATOM 1441 CA GLY A 96 15.946 -9.727 5.938 1.00 0.00 C ATOM 1442 C GLY A 96 16.342 -9.113 4.617 1.00 0.00 C ATOM 1443 O GLY A 96 17.520 -8.851 4.375 1.00 0.00 O ATOM 0 H GLY A 96 13.895 -9.576 6.317 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.777 -9.644 6.638 1.00 0.00 H new ATOM 0 HA3 GLY A 96 15.752 -10.790 5.798 1.00 0.00 H new ATOM 1447 N CYS A 97 15.364 -8.869 3.762 1.00 0.00 N ATOM 1448 CA CYS A 97 15.626 -8.282 2.470 1.00 0.00 C ATOM 1449 C CYS A 97 15.987 -6.803 2.605 1.00 0.00 C ATOM 1450 O CYS A 97 16.799 -6.314 1.839 1.00 0.00 O ATOM 1451 CB CYS A 97 14.451 -8.497 1.508 1.00 0.00 C ATOM 1452 SG CYS A 97 14.039 -10.262 1.247 1.00 0.00 S ATOM 0 H CYS A 97 14.381 -9.071 3.945 1.00 0.00 H new ATOM 0 HA CYS A 97 16.488 -8.791 2.038 1.00 0.00 H new ATOM 0 HB2 CYS A 97 13.573 -7.980 1.897 1.00 0.00 H new ATOM 0 HB3 CYS A 97 14.690 -8.041 0.547 1.00 0.00 H new ATOM 1457 N GLU A 98 15.392 -6.085 3.572 1.00 0.00 N ATOM 1458 CA GLU A 98 15.848 -4.723 3.882 1.00 0.00 C ATOM 1459 C GLU A 98 17.275 -4.732 4.423 1.00 0.00 C ATOM 1460 O GLU A 98 18.067 -3.835 4.122 1.00 0.00 O ATOM 1461 CB GLU A 98 14.925 -4.018 4.886 1.00 0.00 C ATOM 1462 CG GLU A 98 13.895 -3.106 4.237 1.00 0.00 C ATOM 1463 CD GLU A 98 13.155 -2.244 5.243 1.00 0.00 C ATOM 1464 OE1 GLU A 98 13.752 -1.275 5.755 1.00 0.00 O ATOM 1465 OE2 GLU A 98 11.972 -2.515 5.523 1.00 0.00 O ATOM 0 H GLU A 98 14.612 -6.416 4.140 1.00 0.00 H new ATOM 0 HA GLU A 98 15.820 -4.167 2.945 1.00 0.00 H new ATOM 0 HB2 GLU A 98 14.407 -4.771 5.480 1.00 0.00 H new ATOM 0 HB3 GLU A 98 15.533 -3.432 5.575 1.00 0.00 H new ATOM 0 HG2 GLU A 98 14.392 -2.463 3.511 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.176 -3.712 3.686 1.00 0.00 H new ATOM 1472 N LYS A 99 17.608 -5.740 5.225 1.00 0.00 N ATOM 1473 CA LYS A 99 18.961 -5.870 5.747 1.00 0.00 C ATOM 1474 C LYS A 99 19.942 -6.186 4.619 1.00 0.00 C ATOM 1475 O LYS A 99 21.034 -5.621 4.556 1.00 0.00 O ATOM 1476 CB LYS A 99 19.020 -6.958 6.827 1.00 0.00 C ATOM 1477 CG LYS A 99 20.431 -7.258 7.307 1.00 0.00 C ATOM 1478 CD LYS A 99 21.091 -6.031 7.915 1.00 0.00 C ATOM 1479 CE LYS A 99 22.595 -6.214 8.042 1.00 0.00 C ATOM 1480 NZ LYS A 99 22.955 -7.333 8.953 1.00 0.00 N ATOM 0 H LYS A 99 16.964 -6.472 5.524 1.00 0.00 H new ATOM 0 HA LYS A 99 19.247 -4.920 6.198 1.00 0.00 H new ATOM 0 HB2 LYS A 99 18.413 -6.648 7.678 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.576 -7.873 6.435 1.00 0.00 H new ATOM 0 HG2 LYS A 99 20.401 -8.059 8.046 1.00 0.00 H new ATOM 0 HG3 LYS A 99 21.031 -7.617 6.471 1.00 0.00 H new ATOM 0 HD2 LYS A 99 20.880 -5.159 7.296 1.00 0.00 H new ATOM 0 HD3 LYS A 99 20.663 -5.835 8.898 1.00 0.00 H new ATOM 0 HE2 LYS A 99 23.020 -6.401 7.056 1.00 0.00 H new ATOM 0 HE3 LYS A 99 23.041 -5.290 8.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 23.990 -7.418 9.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 22.573 -7.145 9.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 22.554 -8.220 8.588 1.00 0.00 H new ATOM 1494 N SER A 100 19.536 -7.066 3.718 1.00 0.00 N ATOM 1495 CA SER A 100 20.393 -7.493 2.624 1.00 0.00 C ATOM 1496 C SER A 100 20.127 -6.664 1.366 1.00 0.00 C ATOM 1497 O SER A 100 20.554 -7.027 0.269 1.00 0.00 O ATOM 1498 CB SER A 100 20.163 -8.979 2.342 1.00 0.00 C ATOM 1499 OG SER A 100 20.111 -9.720 3.553 1.00 0.00 O ATOM 0 H SER A 100 18.613 -7.500 3.723 1.00 0.00 H new ATOM 0 HA SER A 100 21.433 -7.339 2.913 1.00 0.00 H new ATOM 0 HB2 SER A 100 19.232 -9.109 1.790 1.00 0.00 H new ATOM 0 HB3 SER A 100 20.964 -9.362 1.710 1.00 0.00 H new ATOM 0 HG SER A 100 19.246 -9.573 3.990 1.00 0.00 H new ATOM 1505 N ALA A 101 19.427 -5.549 1.532 1.00 0.00 N ATOM 1506 CA ALA A 101 19.140 -4.656 0.420 1.00 0.00 C ATOM 1507 C ALA A 101 20.343 -3.768 0.143 1.00 0.00 C ATOM 1508 O ALA A 101 21.110 -3.454 1.059 1.00 0.00 O ATOM 1509 CB ALA A 101 17.906 -3.805 0.708 1.00 0.00 C ATOM 0 H ALA A 101 19.048 -5.242 2.428 1.00 0.00 H new ATOM 0 HA ALA A 101 18.934 -5.261 -0.463 1.00 0.00 H new ATOM 0 HB1 ALA A 101 17.713 -3.146 -0.139 1.00 0.00 H new ATOM 0 HB2 ALA A 101 17.045 -4.454 0.866 1.00 0.00 H new ATOM 0 HB3 ALA A 101 18.078 -3.206 1.602 1.00 0.00 H new ATOM 1515 N PRO A 102 20.526 -3.352 -1.115 1.00 0.00 N ATOM 1516 CA PRO A 102 21.642 -2.492 -1.506 1.00 0.00 C ATOM 1517 C PRO A 102 21.450 -1.081 -0.956 1.00 0.00 C ATOM 1518 O PRO A 102 20.331 -0.711 -0.595 1.00 0.00 O ATOM 1519 CB PRO A 102 21.587 -2.495 -3.047 1.00 0.00 C ATOM 1520 CG PRO A 102 20.589 -3.545 -3.417 1.00 0.00 C ATOM 1521 CD PRO A 102 19.652 -3.655 -2.254 1.00 0.00 C ATOM 0 HA PRO A 102 22.601 -2.839 -1.121 1.00 0.00 H new ATOM 0 HB2 PRO A 102 21.288 -1.519 -3.429 1.00 0.00 H new ATOM 0 HB3 PRO A 102 22.565 -2.718 -3.473 1.00 0.00 H new ATOM 0 HG2 PRO A 102 20.053 -3.270 -4.325 1.00 0.00 H new ATOM 0 HG3 PRO A 102 21.080 -4.498 -3.613 1.00 0.00 H new ATOM 0 HD2 PRO A 102 18.825 -2.949 -2.330 1.00 0.00 H new ATOM 0 HD3 PRO A 102 19.215 -4.651 -2.177 1.00 0.00 H new ATOM 1529 N PRO A 103 22.527 -0.281 -0.855 1.00 0.00 N ATOM 1530 CA PRO A 103 22.434 1.103 -0.381 1.00 0.00 C ATOM 1531 C PRO A 103 21.602 1.958 -1.332 1.00 0.00 C ATOM 1532 O PRO A 103 22.128 2.596 -2.247 1.00 0.00 O ATOM 1533 CB PRO A 103 23.890 1.586 -0.344 1.00 0.00 C ATOM 1534 CG PRO A 103 24.713 0.345 -0.389 1.00 0.00 C ATOM 1535 CD PRO A 103 23.913 -0.650 -1.178 1.00 0.00 C ATOM 0 HA PRO A 103 21.943 1.176 0.589 1.00 0.00 H new ATOM 0 HB2 PRO A 103 24.111 2.236 -1.190 1.00 0.00 H new ATOM 0 HB3 PRO A 103 24.092 2.160 0.560 1.00 0.00 H new ATOM 0 HG2 PRO A 103 25.678 0.533 -0.861 1.00 0.00 H new ATOM 0 HG3 PRO A 103 24.916 -0.026 0.616 1.00 0.00 H new ATOM 0 HD2 PRO A 103 24.113 -0.574 -2.247 1.00 0.00 H new ATOM 0 HD3 PRO A 103 24.138 -1.675 -0.883 1.00 0.00 H new ATOM 1543 N ASN A 104 20.297 1.916 -1.141 1.00 0.00 N ATOM 1544 CA ASN A 104 19.366 2.613 -2.007 1.00 0.00 C ATOM 1545 C ASN A 104 18.452 3.508 -1.177 1.00 0.00 C ATOM 1546 O ASN A 104 17.601 3.029 -0.428 1.00 0.00 O ATOM 1547 CB ASN A 104 18.568 1.596 -2.818 1.00 0.00 C ATOM 1548 CG ASN A 104 17.691 2.247 -3.858 1.00 0.00 C ATOM 1549 OD1 ASN A 104 17.984 3.342 -4.343 1.00 0.00 O ATOM 1550 ND2 ASN A 104 16.624 1.564 -4.224 1.00 0.00 N ATOM 0 H ASN A 104 19.853 1.398 -0.382 1.00 0.00 H new ATOM 0 HA ASN A 104 19.913 3.251 -2.702 1.00 0.00 H new ATOM 0 HB2 ASN A 104 19.256 0.906 -3.307 1.00 0.00 H new ATOM 0 HB3 ASN A 104 17.949 1.004 -2.144 1.00 0.00 H new ATOM 0 HD21 ASN A 104 15.999 1.938 -4.938 1.00 0.00 H new ATOM 0 HD22 ASN A 104 16.424 0.661 -3.793 1.00 0.00 H new ATOM 1557 N ASP A 105 18.667 4.809 -1.294 1.00 0.00 N ATOM 1558 CA ASP A 105 18.039 5.792 -0.416 1.00 0.00 C ATOM 1559 C ASP A 105 16.620 6.196 -0.835 1.00 0.00 C ATOM 1560 O ASP A 105 16.178 7.291 -0.489 1.00 0.00 O ATOM 1561 CB ASP A 105 18.921 7.044 -0.341 1.00 0.00 C ATOM 1562 CG ASP A 105 19.030 7.765 -1.671 1.00 0.00 C ATOM 1563 OD1 ASP A 105 19.609 7.190 -2.617 1.00 0.00 O ATOM 1564 OD2 ASP A 105 18.551 8.918 -1.775 1.00 0.00 O ATOM 0 H ASP A 105 19.281 5.216 -1.999 1.00 0.00 H new ATOM 0 HA ASP A 105 17.944 5.312 0.558 1.00 0.00 H new ATOM 0 HB2 ASP A 105 18.513 7.726 0.405 1.00 0.00 H new ATOM 0 HB3 ASP A 105 19.918 6.761 -0.003 1.00 0.00 H new ATOM 1569 N ASP A 106 15.874 5.344 -1.533 1.00 0.00 N ATOM 1570 CA ASP A 106 14.522 5.734 -1.920 1.00 0.00 C ATOM 1571 C ASP A 106 13.497 5.342 -0.858 1.00 0.00 C ATOM 1572 O ASP A 106 13.135 4.171 -0.684 1.00 0.00 O ATOM 1573 CB ASP A 106 14.117 5.252 -3.327 1.00 0.00 C ATOM 1574 CG ASP A 106 14.560 3.853 -3.682 1.00 0.00 C ATOM 1575 OD1 ASP A 106 14.541 2.965 -2.812 1.00 0.00 O ATOM 1576 OD2 ASP A 106 14.922 3.640 -4.863 1.00 0.00 O ATOM 0 H ASP A 106 16.167 4.414 -1.833 1.00 0.00 H new ATOM 0 HA ASP A 106 14.532 6.822 -1.982 1.00 0.00 H new ATOM 0 HB2 ASP A 106 13.032 5.304 -3.413 1.00 0.00 H new ATOM 0 HB3 ASP A 106 14.529 5.943 -4.062 1.00 0.00 H new ATOM 1581 N LYS A 107 13.068 6.391 -0.152 1.00 0.00 N ATOM 1582 CA LYS A 107 12.142 6.341 0.987 1.00 0.00 C ATOM 1583 C LYS A 107 11.138 5.181 0.946 1.00 0.00 C ATOM 1584 O LYS A 107 11.295 4.199 1.670 1.00 0.00 O ATOM 1585 CB LYS A 107 11.386 7.672 1.033 1.00 0.00 C ATOM 1586 CG LYS A 107 10.439 7.837 2.208 1.00 0.00 C ATOM 1587 CD LYS A 107 9.483 8.993 1.965 1.00 0.00 C ATOM 1588 CE LYS A 107 8.735 9.386 3.225 1.00 0.00 C ATOM 1589 NZ LYS A 107 9.637 10.008 4.227 1.00 0.00 N ATOM 0 H LYS A 107 13.369 7.342 -0.367 1.00 0.00 H new ATOM 0 HA LYS A 107 12.741 6.170 1.881 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.113 8.484 1.056 1.00 0.00 H new ATOM 0 HB3 LYS A 107 10.817 7.780 0.110 1.00 0.00 H new ATOM 0 HG2 LYS A 107 9.875 6.917 2.359 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.009 8.015 3.120 1.00 0.00 H new ATOM 0 HD2 LYS A 107 10.040 9.852 1.591 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.768 8.716 1.190 1.00 0.00 H new ATOM 0 HE2 LYS A 107 7.936 10.083 2.972 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.263 8.504 3.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 9.071 10.517 4.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.196 9.268 4.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 10.277 10.675 3.751 1.00 0.00 H new ATOM 1603 N CYS A 108 10.110 5.292 0.113 1.00 0.00 N ATOM 1604 CA CYS A 108 9.014 4.332 0.125 1.00 0.00 C ATOM 1605 C CYS A 108 9.337 3.101 -0.723 1.00 0.00 C ATOM 1606 O CYS A 108 8.630 2.095 -0.664 1.00 0.00 O ATOM 1607 CB CYS A 108 7.740 5.013 -0.392 1.00 0.00 C ATOM 1608 SG CYS A 108 6.181 4.360 0.292 1.00 0.00 S ATOM 0 H CYS A 108 10.013 6.036 -0.578 1.00 0.00 H new ATOM 0 HA CYS A 108 8.862 3.993 1.150 1.00 0.00 H new ATOM 0 HB2 CYS A 108 7.799 6.078 -0.167 1.00 0.00 H new ATOM 0 HB3 CYS A 108 7.711 4.917 -1.477 1.00 0.00 H new ATOM 1613 N MET A 109 10.424 3.165 -1.487 1.00 0.00 N ATOM 1614 CA MET A 109 10.726 2.116 -2.449 1.00 0.00 C ATOM 1615 C MET A 109 11.477 0.953 -1.813 1.00 0.00 C ATOM 1616 O MET A 109 11.472 -0.159 -2.341 1.00 0.00 O ATOM 1617 CB MET A 109 11.526 2.664 -3.623 1.00 0.00 C ATOM 1618 CG MET A 109 10.733 3.588 -4.520 1.00 0.00 C ATOM 1619 SD MET A 109 9.256 2.803 -5.192 1.00 0.00 S ATOM 1620 CE MET A 109 9.985 1.422 -6.068 1.00 0.00 C ATOM 0 H MET A 109 11.103 3.926 -1.458 1.00 0.00 H new ATOM 0 HA MET A 109 9.769 1.741 -2.812 1.00 0.00 H new ATOM 0 HB2 MET A 109 12.395 3.200 -3.241 1.00 0.00 H new ATOM 0 HB3 MET A 109 11.902 1.830 -4.216 1.00 0.00 H new ATOM 0 HG2 MET A 109 10.444 4.475 -3.957 1.00 0.00 H new ATOM 0 HG3 MET A 109 11.367 3.924 -5.341 1.00 0.00 H new ATOM 0 HE1 MET A 109 9.195 0.786 -6.466 1.00 0.00 H new ATOM 0 HE2 MET A 109 10.599 1.795 -6.888 1.00 0.00 H new ATOM 0 HE3 MET A 109 10.606 0.844 -5.384 1.00 0.00 H new ATOM 1630 N LYS A 110 12.122 1.203 -0.680 1.00 0.00 N ATOM 1631 CA LYS A 110 12.830 0.134 0.034 1.00 0.00 C ATOM 1632 C LYS A 110 11.862 -0.994 0.376 1.00 0.00 C ATOM 1633 O LYS A 110 12.149 -2.182 0.197 1.00 0.00 O ATOM 1634 CB LYS A 110 13.514 0.660 1.309 1.00 0.00 C ATOM 1635 CG LYS A 110 12.616 1.383 2.306 1.00 0.00 C ATOM 1636 CD LYS A 110 12.087 0.413 3.355 1.00 0.00 C ATOM 1637 CE LYS A 110 11.439 1.119 4.531 1.00 0.00 C ATOM 1638 NZ LYS A 110 10.943 0.144 5.541 1.00 0.00 N ATOM 0 H LYS A 110 12.173 2.120 -0.237 1.00 0.00 H new ATOM 0 HA LYS A 110 13.611 -0.250 -0.623 1.00 0.00 H new ATOM 0 HB2 LYS A 110 13.983 -0.182 1.818 1.00 0.00 H new ATOM 0 HB3 LYS A 110 14.314 1.339 1.013 1.00 0.00 H new ATOM 0 HG2 LYS A 110 13.174 2.183 2.792 1.00 0.00 H new ATOM 0 HG3 LYS A 110 11.782 1.849 1.781 1.00 0.00 H new ATOM 0 HD2 LYS A 110 11.361 -0.255 2.893 1.00 0.00 H new ATOM 0 HD3 LYS A 110 12.907 -0.208 3.716 1.00 0.00 H new ATOM 0 HE2 LYS A 110 12.159 1.792 4.996 1.00 0.00 H new ATOM 0 HE3 LYS A 110 10.611 1.733 4.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 9.916 0.258 5.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 11.150 -0.823 5.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 11.417 0.316 6.451 1.00 0.00 H new ATOM 1652 N THR A 111 10.712 -0.588 0.873 1.00 0.00 N ATOM 1653 CA THR A 111 9.606 -1.477 1.153 1.00 0.00 C ATOM 1654 C THR A 111 9.141 -2.240 -0.098 1.00 0.00 C ATOM 1655 O THR A 111 8.417 -3.235 0.004 1.00 0.00 O ATOM 1656 CB THR A 111 8.462 -0.660 1.794 1.00 0.00 C ATOM 1657 OG1 THR A 111 8.142 -1.210 3.079 1.00 0.00 O ATOM 1658 CG2 THR A 111 7.191 -0.600 0.935 1.00 0.00 C ATOM 0 H THR A 111 10.517 0.388 1.098 1.00 0.00 H new ATOM 0 HA THR A 111 9.935 -2.243 1.855 1.00 0.00 H new ATOM 0 HB THR A 111 8.826 0.363 1.886 1.00 0.00 H new ATOM 0 HG1 THR A 111 7.418 -0.690 3.486 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.432 -0.010 1.449 1.00 0.00 H new ATOM 0 HG22 THR A 111 7.422 -0.137 -0.025 1.00 0.00 H new ATOM 0 HG23 THR A 111 6.815 -1.610 0.770 1.00 0.00 H new ATOM 1666 N ILE A 112 9.605 -1.819 -1.270 1.00 0.00 N ATOM 1667 CA ILE A 112 9.230 -2.474 -2.504 1.00 0.00 C ATOM 1668 C ILE A 112 10.224 -3.589 -2.786 1.00 0.00 C ATOM 1669 O ILE A 112 9.841 -4.680 -3.213 1.00 0.00 O ATOM 1670 CB ILE A 112 9.153 -1.473 -3.681 1.00 0.00 C ATOM 1671 CG1 ILE A 112 7.698 -1.069 -3.946 1.00 0.00 C ATOM 1672 CG2 ILE A 112 9.794 -2.028 -4.951 1.00 0.00 C ATOM 1673 CD1 ILE A 112 7.041 -0.352 -2.787 1.00 0.00 C ATOM 0 H ILE A 112 10.239 -1.029 -1.384 1.00 0.00 H new ATOM 0 HA ILE A 112 8.232 -2.898 -2.396 1.00 0.00 H new ATOM 0 HB ILE A 112 9.721 -0.588 -3.392 1.00 0.00 H new ATOM 0 HG12 ILE A 112 7.664 -0.425 -4.825 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.120 -1.963 -4.183 1.00 0.00 H new ATOM 0 HG21 ILE A 112 9.716 -1.291 -5.750 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.845 -2.249 -4.762 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.279 -2.942 -5.249 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.014 -0.099 -3.051 1.00 0.00 H new ATOM 0 HD12 ILE A 112 7.041 -1.000 -1.911 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.594 0.561 -2.563 1.00 0.00 H new ATOM 1685 N ASP A 113 11.499 -3.319 -2.497 1.00 0.00 N ATOM 1686 CA ASP A 113 12.543 -4.326 -2.629 1.00 0.00 C ATOM 1687 C ASP A 113 12.264 -5.516 -1.719 1.00 0.00 C ATOM 1688 O ASP A 113 12.507 -6.657 -2.101 1.00 0.00 O ATOM 1689 CB ASP A 113 13.934 -3.740 -2.335 1.00 0.00 C ATOM 1690 CG ASP A 113 14.385 -2.749 -3.389 1.00 0.00 C ATOM 1691 OD1 ASP A 113 14.930 -3.186 -4.426 1.00 0.00 O ATOM 1692 OD2 ASP A 113 14.200 -1.533 -3.187 1.00 0.00 O ATOM 0 H ASP A 113 11.829 -2.411 -2.171 1.00 0.00 H new ATOM 0 HA ASP A 113 12.537 -4.669 -3.664 1.00 0.00 H new ATOM 0 HB2 ASP A 113 13.918 -3.248 -1.362 1.00 0.00 H new ATOM 0 HB3 ASP A 113 14.659 -4.551 -2.270 1.00 0.00 H new ATOM 1697 N VAL A 114 11.729 -5.268 -0.524 1.00 0.00 N ATOM 1698 CA VAL A 114 11.375 -6.366 0.370 1.00 0.00 C ATOM 1699 C VAL A 114 10.079 -7.036 -0.077 1.00 0.00 C ATOM 1700 O VAL A 114 9.943 -8.255 -0.011 1.00 0.00 O ATOM 1701 CB VAL A 114 11.242 -5.940 1.843 1.00 0.00 C ATOM 1702 CG1 VAL A 114 12.600 -5.652 2.435 1.00 0.00 C ATOM 1703 CG2 VAL A 114 10.356 -4.738 1.987 1.00 0.00 C ATOM 0 H VAL A 114 11.535 -4.336 -0.159 1.00 0.00 H new ATOM 0 HA VAL A 114 12.204 -7.071 0.308 1.00 0.00 H new ATOM 0 HB VAL A 114 10.784 -6.767 2.385 1.00 0.00 H new ATOM 0 HG11 VAL A 114 12.487 -5.352 3.477 1.00 0.00 H new ATOM 0 HG12 VAL A 114 13.218 -6.548 2.380 1.00 0.00 H new ATOM 0 HG13 VAL A 114 13.077 -4.847 1.876 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.283 -4.463 3.039 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.777 -3.906 1.423 1.00 0.00 H new ATOM 0 HG23 VAL A 114 9.363 -4.970 1.603 1.00 0.00 H new ATOM 1713 N ALA A 115 9.129 -6.234 -0.549 1.00 0.00 N ATOM 1714 CA ALA A 115 7.854 -6.757 -1.020 1.00 0.00 C ATOM 1715 C ALA A 115 8.038 -7.694 -2.212 1.00 0.00 C ATOM 1716 O ALA A 115 7.524 -8.830 -2.232 1.00 0.00 O ATOM 1717 CB ALA A 115 6.936 -5.608 -1.375 1.00 0.00 C ATOM 0 H ALA A 115 9.220 -5.220 -0.615 1.00 0.00 H new ATOM 0 HA ALA A 115 7.403 -7.342 -0.219 1.00 0.00 H new ATOM 0 HB1 ALA A 115 5.982 -6.000 -1.727 1.00 0.00 H new ATOM 0 HB2 ALA A 115 6.770 -4.989 -0.493 1.00 0.00 H new ATOM 0 HB3 ALA A 115 7.393 -5.006 -2.160 1.00 0.00 H new ATOM 1723 N MET A 116 8.802 -7.242 -3.202 1.00 0.00 N ATOM 1724 CA MET A 116 9.046 -8.075 -4.361 1.00 0.00 C ATOM 1725 C MET A 116 9.929 -9.261 -3.969 1.00 0.00 C ATOM 1726 O MET A 116 9.855 -10.327 -4.575 1.00 0.00 O ATOM 1727 CB MET A 116 9.598 -7.274 -5.568 1.00 0.00 C ATOM 1728 CG MET A 116 10.927 -6.547 -5.380 1.00 0.00 C ATOM 1729 SD MET A 116 12.341 -7.659 -5.224 1.00 0.00 S ATOM 1730 CE MET A 116 13.684 -6.475 -5.161 1.00 0.00 C ATOM 0 H MET A 116 9.250 -6.326 -3.222 1.00 0.00 H new ATOM 0 HA MET A 116 8.091 -8.470 -4.708 1.00 0.00 H new ATOM 0 HB2 MET A 116 9.706 -7.961 -6.407 1.00 0.00 H new ATOM 0 HB3 MET A 116 8.848 -6.536 -5.854 1.00 0.00 H new ATOM 0 HG2 MET A 116 11.091 -5.881 -6.227 1.00 0.00 H new ATOM 0 HG3 MET A 116 10.867 -5.921 -4.489 1.00 0.00 H new ATOM 0 HE1 MET A 116 14.539 -6.865 -5.713 1.00 0.00 H new ATOM 0 HE2 MET A 116 13.362 -5.535 -5.609 1.00 0.00 H new ATOM 0 HE3 MET A 116 13.969 -6.303 -4.123 1.00 0.00 H new ATOM 1740 N CYS A 117 10.684 -9.088 -2.886 1.00 0.00 N ATOM 1741 CA CYS A 117 11.534 -10.135 -2.324 1.00 0.00 C ATOM 1742 C CYS A 117 10.664 -11.225 -1.717 1.00 0.00 C ATOM 1743 O CYS A 117 11.052 -12.394 -1.669 1.00 0.00 O ATOM 1744 CB CYS A 117 12.456 -9.511 -1.263 1.00 0.00 C ATOM 1745 SG CYS A 117 13.898 -10.515 -0.771 1.00 0.00 S ATOM 0 H CYS A 117 10.723 -8.209 -2.370 1.00 0.00 H new ATOM 0 HA CYS A 117 12.148 -10.585 -3.104 1.00 0.00 H new ATOM 0 HB2 CYS A 117 12.816 -8.554 -1.640 1.00 0.00 H new ATOM 0 HB3 CYS A 117 11.863 -9.301 -0.373 1.00 0.00 H new ATOM 1750 N PHE A 118 9.463 -10.840 -1.299 1.00 0.00 N ATOM 1751 CA PHE A 118 8.535 -11.777 -0.705 1.00 0.00 C ATOM 1752 C PHE A 118 7.904 -12.669 -1.758 1.00 0.00 C ATOM 1753 O PHE A 118 7.850 -13.882 -1.575 1.00 0.00 O ATOM 1754 CB PHE A 118 7.463 -11.059 0.124 1.00 0.00 C ATOM 1755 CG PHE A 118 6.373 -11.972 0.621 1.00 0.00 C ATOM 1756 CD1 PHE A 118 6.625 -12.881 1.639 1.00 0.00 C ATOM 1757 CD2 PHE A 118 5.101 -11.922 0.070 1.00 0.00 C ATOM 1758 CE1 PHE A 118 5.629 -13.722 2.097 1.00 0.00 C ATOM 1759 CE2 PHE A 118 4.102 -12.762 0.526 1.00 0.00 C ATOM 1760 CZ PHE A 118 4.366 -13.663 1.540 1.00 0.00 C ATOM 0 H PHE A 118 9.115 -9.883 -1.364 1.00 0.00 H new ATOM 0 HA PHE A 118 9.104 -12.412 -0.026 1.00 0.00 H new ATOM 0 HB2 PHE A 118 7.939 -10.576 0.978 1.00 0.00 H new ATOM 0 HB3 PHE A 118 7.017 -10.269 -0.480 1.00 0.00 H new ATOM 0 HD1 PHE A 118 7.610 -12.932 2.078 1.00 0.00 H new ATOM 0 HD2 PHE A 118 4.889 -11.220 -0.723 1.00 0.00 H new ATOM 0 HE1 PHE A 118 5.838 -14.425 2.890 1.00 0.00 H new ATOM 0 HE2 PHE A 118 3.115 -12.714 0.090 1.00 0.00 H new ATOM 0 HZ PHE A 118 3.586 -14.320 1.896 1.00 0.00 H new ATOM 1770 N LYS A 119 7.426 -12.104 -2.868 1.00 0.00 N ATOM 1771 CA LYS A 119 6.846 -12.974 -3.899 1.00 0.00 C ATOM 1772 C LYS A 119 7.926 -13.839 -4.566 1.00 0.00 C ATOM 1773 O LYS A 119 7.621 -14.922 -5.071 1.00 0.00 O ATOM 1774 CB LYS A 119 5.952 -12.228 -4.923 1.00 0.00 C ATOM 1775 CG LYS A 119 6.245 -12.524 -6.394 1.00 0.00 C ATOM 1776 CD LYS A 119 7.403 -11.702 -6.952 1.00 0.00 C ATOM 1777 CE LYS A 119 7.092 -10.213 -6.955 1.00 0.00 C ATOM 1778 NZ LYS A 119 7.890 -9.479 -7.974 1.00 0.00 N ATOM 0 H LYS A 119 7.425 -11.105 -3.074 1.00 0.00 H new ATOM 0 HA LYS A 119 6.160 -13.645 -3.383 1.00 0.00 H new ATOM 0 HB2 LYS A 119 4.911 -12.480 -4.721 1.00 0.00 H new ATOM 0 HB3 LYS A 119 6.059 -11.156 -4.758 1.00 0.00 H new ATOM 0 HG2 LYS A 119 6.473 -13.584 -6.507 1.00 0.00 H new ATOM 0 HG3 LYS A 119 5.350 -12.326 -6.983 1.00 0.00 H new ATOM 0 HD2 LYS A 119 8.298 -11.885 -6.357 1.00 0.00 H new ATOM 0 HD3 LYS A 119 7.624 -12.029 -7.968 1.00 0.00 H new ATOM 0 HE2 LYS A 119 6.030 -10.065 -7.151 1.00 0.00 H new ATOM 0 HE3 LYS A 119 7.295 -9.798 -5.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 7.648 -8.468 -7.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 8.903 -9.598 -7.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 7.677 -9.857 -8.919 1.00 0.00 H new ATOM 1792 N LYS A 120 9.185 -13.378 -4.563 1.00 0.00 N ATOM 1793 CA LYS A 120 10.297 -14.239 -4.956 1.00 0.00 C ATOM 1794 C LYS A 120 10.296 -15.507 -4.108 1.00 0.00 C ATOM 1795 O LYS A 120 10.221 -16.624 -4.630 1.00 0.00 O ATOM 1796 CB LYS A 120 11.629 -13.511 -4.770 1.00 0.00 C ATOM 1797 CG LYS A 120 12.433 -13.388 -6.049 1.00 0.00 C ATOM 1798 CD LYS A 120 11.711 -12.523 -7.060 1.00 0.00 C ATOM 1799 CE LYS A 120 11.666 -11.070 -6.622 1.00 0.00 C ATOM 1800 NZ LYS A 120 13.011 -10.438 -6.622 1.00 0.00 N ATOM 0 H LYS A 120 9.451 -12.430 -4.297 1.00 0.00 H new ATOM 0 HA LYS A 120 10.176 -14.499 -6.008 1.00 0.00 H new ATOM 0 HB2 LYS A 120 11.437 -12.514 -4.373 1.00 0.00 H new ATOM 0 HB3 LYS A 120 12.223 -14.041 -4.026 1.00 0.00 H new ATOM 0 HG2 LYS A 120 13.410 -12.958 -5.829 1.00 0.00 H new ATOM 0 HG3 LYS A 120 12.607 -14.378 -6.470 1.00 0.00 H new ATOM 0 HD2 LYS A 120 12.211 -12.597 -8.026 1.00 0.00 H new ATOM 0 HD3 LYS A 120 10.695 -12.894 -7.197 1.00 0.00 H new ATOM 0 HE2 LYS A 120 11.006 -10.513 -7.287 1.00 0.00 H new ATOM 0 HE3 LYS A 120 11.238 -11.008 -5.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 12.919 -9.426 -6.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 13.610 -10.898 -5.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 13.446 -10.547 -7.560 1.00 0.00 H new ATOM 1814 N GLU A 121 10.347 -15.318 -2.796 1.00 0.00 N ATOM 1815 CA GLU A 121 10.270 -16.435 -1.857 1.00 0.00 C ATOM 1816 C GLU A 121 8.960 -17.228 -1.992 1.00 0.00 C ATOM 1817 O GLU A 121 8.985 -18.455 -1.955 1.00 0.00 O ATOM 1818 CB GLU A 121 10.452 -15.954 -0.415 1.00 0.00 C ATOM 1819 CG GLU A 121 11.828 -15.370 -0.134 1.00 0.00 C ATOM 1820 CD GLU A 121 12.945 -16.179 -0.759 1.00 0.00 C ATOM 1821 OE1 GLU A 121 13.277 -17.259 -0.230 1.00 0.00 O ATOM 1822 OE2 GLU A 121 13.494 -15.736 -1.790 1.00 0.00 O ATOM 0 H GLU A 121 10.441 -14.403 -2.356 1.00 0.00 H new ATOM 0 HA GLU A 121 11.087 -17.110 -2.111 1.00 0.00 H new ATOM 0 HB2 GLU A 121 9.696 -15.201 -0.194 1.00 0.00 H new ATOM 0 HB3 GLU A 121 10.277 -16.790 0.262 1.00 0.00 H new ATOM 0 HG2 GLU A 121 11.869 -14.349 -0.513 1.00 0.00 H new ATOM 0 HG3 GLU A 121 11.982 -15.317 0.944 1.00 0.00 H new ATOM 1829 N ILE A 122 7.819 -16.542 -2.141 1.00 0.00 N ATOM 1830 CA ILE A 122 6.543 -17.217 -2.335 1.00 0.00 C ATOM 1831 C ILE A 122 6.585 -18.158 -3.559 1.00 0.00 C ATOM 1832 O ILE A 122 5.963 -19.220 -3.544 1.00 0.00 O ATOM 1833 CB ILE A 122 5.367 -16.192 -2.422 1.00 0.00 C ATOM 1834 CG1 ILE A 122 4.359 -16.468 -1.305 1.00 0.00 C ATOM 1835 CG2 ILE A 122 4.675 -16.211 -3.782 1.00 0.00 C ATOM 1836 CD1 ILE A 122 3.645 -17.801 -1.428 1.00 0.00 C ATOM 0 H ILE A 122 7.760 -15.524 -2.130 1.00 0.00 H new ATOM 0 HA ILE A 122 6.359 -17.841 -1.460 1.00 0.00 H new ATOM 0 HB ILE A 122 5.790 -15.195 -2.298 1.00 0.00 H new ATOM 0 HG12 ILE A 122 4.877 -16.433 -0.347 1.00 0.00 H new ATOM 0 HG13 ILE A 122 3.616 -15.670 -1.296 1.00 0.00 H new ATOM 0 HG21 ILE A 122 3.866 -15.481 -3.789 1.00 0.00 H new ATOM 0 HG22 ILE A 122 5.396 -15.961 -4.561 1.00 0.00 H new ATOM 0 HG23 ILE A 122 4.268 -17.205 -3.969 1.00 0.00 H new ATOM 0 HD11 ILE A 122 2.949 -17.919 -0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 122 3.096 -17.834 -2.369 1.00 0.00 H new ATOM 0 HD13 ILE A 122 4.376 -18.609 -1.406 1.00 0.00 H new ATOM 1848 N HIS A 123 7.331 -17.784 -4.609 1.00 0.00 N ATOM 1849 CA HIS A 123 7.518 -18.666 -5.764 1.00 0.00 C ATOM 1850 C HIS A 123 8.438 -19.843 -5.425 1.00 0.00 C ATOM 1851 O HIS A 123 8.272 -20.936 -5.962 1.00 0.00 O ATOM 1852 CB HIS A 123 8.077 -17.891 -6.964 1.00 0.00 C ATOM 1853 CG HIS A 123 7.049 -17.071 -7.693 1.00 0.00 C ATOM 1854 ND1 HIS A 123 7.113 -16.817 -9.048 1.00 0.00 N ATOM 1855 CD2 HIS A 123 5.930 -16.445 -7.251 1.00 0.00 C ATOM 1856 CE1 HIS A 123 6.083 -16.073 -9.404 1.00 0.00 C ATOM 1857 NE2 HIS A 123 5.351 -15.834 -8.334 1.00 0.00 N ATOM 0 H HIS A 123 7.809 -16.886 -4.680 1.00 0.00 H new ATOM 0 HA HIS A 123 6.538 -19.063 -6.030 1.00 0.00 H new ATOM 0 HB2 HIS A 123 8.874 -17.233 -6.619 1.00 0.00 H new ATOM 0 HB3 HIS A 123 8.526 -18.597 -7.663 1.00 0.00 H new ATOM 0 HD2 HIS A 123 5.563 -16.430 -6.235 1.00 0.00 H new ATOM 0 HE1 HIS A 123 5.875 -15.720 -10.403 1.00 0.00 H new ATOM 0 HE2 HIS A 123 4.493 -15.284 -8.315 1.00 0.00 H new ATOM 1866 N LYS A 124 9.398 -19.619 -4.528 1.00 0.00 N ATOM 1867 CA LYS A 124 10.292 -20.671 -4.074 1.00 0.00 C ATOM 1868 C LYS A 124 9.532 -21.684 -3.217 1.00 0.00 C ATOM 1869 O LYS A 124 9.846 -22.873 -3.205 1.00 0.00 O ATOM 1870 CB LYS A 124 11.426 -20.032 -3.274 1.00 0.00 C ATOM 1871 CG LYS A 124 12.310 -21.013 -2.535 1.00 0.00 C ATOM 1872 CD LYS A 124 13.231 -20.279 -1.583 1.00 0.00 C ATOM 1873 CE LYS A 124 14.003 -21.234 -0.688 1.00 0.00 C ATOM 1874 NZ LYS A 124 14.835 -20.514 0.314 1.00 0.00 N ATOM 0 H LYS A 124 9.573 -18.709 -4.102 1.00 0.00 H new ATOM 0 HA LYS A 124 10.703 -21.204 -4.931 1.00 0.00 H new ATOM 0 HB2 LYS A 124 12.045 -19.446 -3.953 1.00 0.00 H new ATOM 0 HB3 LYS A 124 10.997 -19.336 -2.553 1.00 0.00 H new ATOM 0 HG2 LYS A 124 11.694 -21.722 -1.981 1.00 0.00 H new ATOM 0 HG3 LYS A 124 12.899 -21.591 -3.248 1.00 0.00 H new ATOM 0 HD2 LYS A 124 13.932 -19.670 -2.154 1.00 0.00 H new ATOM 0 HD3 LYS A 124 12.646 -19.597 -0.966 1.00 0.00 H new ATOM 0 HE2 LYS A 124 13.304 -21.892 -0.172 1.00 0.00 H new ATOM 0 HE3 LYS A 124 14.643 -21.868 -1.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 15.344 -21.204 0.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 15.521 -19.905 -0.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 14.223 -19.929 0.918 1.00 0.00 H new ATOM 1888 N LEU A 125 8.509 -21.196 -2.527 1.00 0.00 N ATOM 1889 CA LEU A 125 7.671 -22.025 -1.660 1.00 0.00 C ATOM 1890 C LEU A 125 6.747 -22.950 -2.460 1.00 0.00 C ATOM 1891 O LEU A 125 5.833 -23.555 -1.895 1.00 0.00 O ATOM 1892 CB LEU A 125 6.835 -21.132 -0.740 1.00 0.00 C ATOM 1893 CG LEU A 125 7.637 -20.253 0.223 1.00 0.00 C ATOM 1894 CD1 LEU A 125 6.711 -19.354 1.027 1.00 0.00 C ATOM 1895 CD2 LEU A 125 8.476 -21.115 1.152 1.00 0.00 C ATOM 0 H LEU A 125 8.234 -20.214 -2.550 1.00 0.00 H new ATOM 0 HA LEU A 125 8.335 -22.655 -1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 125 6.208 -20.488 -1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 125 6.166 -21.765 -0.157 1.00 0.00 H new ATOM 0 HG LEU A 125 8.304 -19.621 -0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 125 7.301 -18.738 1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 125 6.149 -18.712 0.349 1.00 0.00 H new ATOM 0 HD13 LEU A 125 6.019 -19.967 1.604 1.00 0.00 H new ATOM 0 HD21 LEU A 125 9.041 -20.476 1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 125 7.823 -21.770 1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 125 9.167 -21.719 0.563 1.00 0.00 H new