USER MOD reduce.3.24.130724 H: found=0, std=0, add=1088, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1091 hydrogens (11 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 NoAdj-H: B 502 BB9 HN2 : B 502 BB9 N : B 501 SER C :(H bumps) USER MOD NoAdj-H: B 507 BB9 HN2 : B 507 BB9 N : B 506 ALA C :(H bumps) USER MOD NoAdj-H: B 510 NAKHAE1 : B 510 NAK CAE : B 501 SER CB :(H bumps) USER MOD NoAdj-H: B 510 NAKHAB2 : B 510 NAK NAB : B 509 MOZ C :(H bumps) USER MOD Set 1.1: A 196 HIS : no HD1:sc= -0.278 X(o=-9.3,f=-9.3) USER MOD Set 1.2: A 212 HIS : no HD1:sc= -8.86! C(o=-9.3!,f=-12!) USER MOD Set 1.3: A 240 MET CE :methyl -147:sc= -0.127 (180deg=-0.647) USER MOD Set 2.1: A 205 TYR OH : rot 15:sc= -0.391 USER MOD Set 2.2: A 211 MET CE :methyl 154:sc= -7.88! (180deg=-10.5!) USER MOD Set 3.1: A 148 SER OG : rot 20:sc= -0.879 USER MOD Set 3.2: A 203 ASN : amide:sc= -4.62! C(o=-12!,f=-9!) USER MOD Set 3.3: A 204 HIS : no HD1:sc= -6.59! C(o=-12!,f=-9!) USER MOD Single : A 113 ASN : amide:sc= -1.35 K(o=-1.4,f=-6.2!) USER MOD Single : A 115 THR OG1 : rot -143:sc= -2.24 USER MOD Single : A 119 LYS NZ :NH3+ -131:sc= -1.75 (180deg=-3.67!) USER MOD Single : A 130 GLN : amide:sc= -5.48! C(o=-5.5!,f=-6.5!) USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 ASN : amide:sc= -2.3! C(o=-2.3!,f=-0.89!) USER MOD Single : A 142 THR OG1 : rot -104:sc= -6.03! USER MOD Single : A 145 TYR OH : rot 30:sc= -0.044 USER MOD Single : A 147 GLN : amide:sc= -11.8! C(o=-12!,f=-3.3!) USER MOD Single : A 149 LYS NZ :NH3+ 139:sc= -4.28! (180deg=-6.93!) USER MOD Single : A 151 LYS NZ :NH3+ 137:sc= -3.77! (180deg=-9.2!) USER MOD Single : A 152 THR OG1 : rot -81:sc= 0.932 USER MOD Single : A 154 SER OG : rot -50:sc= 1.27 USER MOD Single : A 155 TYR OH : rot 133:sc= -1.05 USER MOD Single : A 156 THR OG1 : rot 180:sc= -1.59! USER MOD Single : A 157 LYS NZ :NH3+ -152:sc= -0.809 (180deg=-3.39!) USER MOD Single : A 161 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 164 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.15) USER MOD Single : A 171 THR OG1 : rot 28:sc= -0.153! USER MOD Single : A 178 MET CE :methyl 155:sc= -1.29 (180deg=-3.76!) USER MOD Single : A 186 SER OG : rot 180:sc= -0.0549 USER MOD Single : A 190 MET CE :methyl -110:sc= -2.3 (180deg=-2.89) USER MOD Single : A 198 GLN : amide:sc= -3.17! K(o=-3.2!,f=-0.5) USER MOD Single : A 207 CYS SG : rot 85:sc= -1.99! USER MOD Single : A 209 TYR OH : rot 180:sc= 0 USER MOD Single : A 213 THR OG1 : rot -24:sc= 0.542 USER MOD Single : A 218 MET CE :methyl 159:sc= -0.54 (180deg=-1.51) USER MOD Single : A 219 TYR OH : rot 120:sc= -6.39! USER MOD Single : A 221 SER OG : rot -160:sc= -0.428 USER MOD Single : A 226 THR OG1 : rot 180:sc= 0.00959 USER MOD Single : A 228 ASN : amide:sc= -1.36 K(o=-1.4,f=-3.5!) USER MOD Single : A 233 LYS NZ :NH3+ 164:sc= -7.59! (180deg=-8.02!) USER MOD Single : A 239 TYR OH : rot 39:sc= 0.579 USER MOD Single : A 247 ASN : amide:sc= -6.22! C(o=-6.2!,f=-2.5!) USER MOD Single : A 251 HIS : no HE2:sc= -3.81! C(o=-3.8!,f=-10!) USER MOD Single : A 252 THR OG1 : rot 69:sc= 0.801 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 111 125.839 -1.508 7.189 1.00 0.00 N ATOM 2 CA GLY A 111 126.642 -2.758 7.289 1.00 0.00 C ATOM 3 C GLY A 111 125.816 -3.941 7.755 1.00 0.00 C ATOM 4 O GLY A 111 125.550 -4.090 8.947 1.00 0.00 O ATOM 0 HA2 GLY A 111 127.079 -2.984 6.316 1.00 0.00 H new ATOM 0 HA3 GLY A 111 127.469 -2.601 7.981 1.00 0.00 H new ATOM 8 N ILE A 112 125.412 -4.785 6.811 1.00 0.00 N ATOM 9 CA ILE A 112 124.612 -5.963 7.130 1.00 0.00 C ATOM 10 C ILE A 112 125.495 -7.073 7.683 1.00 0.00 C ATOM 11 O ILE A 112 125.136 -7.740 8.652 1.00 0.00 O ATOM 12 CB ILE A 112 123.863 -6.498 5.885 1.00 0.00 C ATOM 13 CG1 ILE A 112 123.717 -5.393 4.843 1.00 0.00 C ATOM 14 CG2 ILE A 112 122.499 -7.058 6.264 1.00 0.00 C ATOM 15 CD1 ILE A 112 122.871 -5.793 3.653 1.00 0.00 C ATOM 0 H ILE A 112 125.625 -4.676 5.820 1.00 0.00 H new ATOM 0 HA ILE A 112 123.880 -5.659 7.879 1.00 0.00 H new ATOM 0 HB ILE A 112 124.451 -7.310 5.457 1.00 0.00 H new ATOM 0 HG12 ILE A 112 123.274 -4.516 5.315 1.00 0.00 H new ATOM 0 HG13 ILE A 112 124.707 -5.101 4.493 1.00 0.00 H new ATOM 0 HG21 ILE A 112 121.996 -7.426 5.370 1.00 0.00 H new ATOM 0 HG22 ILE A 112 122.626 -7.877 6.972 1.00 0.00 H new ATOM 0 HG23 ILE A 112 121.897 -6.272 6.721 1.00 0.00 H new ATOM 0 HD11 ILE A 112 122.810 -4.960 2.953 1.00 0.00 H new ATOM 0 HD12 ILE A 112 123.324 -6.651 3.157 1.00 0.00 H new ATOM 0 HD13 ILE A 112 121.869 -6.057 3.991 1.00 0.00 H new ATOM 27 N ASN A 113 126.653 -7.258 7.063 1.00 0.00 N ATOM 28 CA ASN A 113 127.591 -8.275 7.478 1.00 0.00 C ATOM 29 C ASN A 113 126.856 -9.518 7.970 1.00 0.00 C ATOM 30 O ASN A 113 126.791 -9.781 9.171 1.00 0.00 O ATOM 31 CB ASN A 113 128.495 -7.720 8.566 1.00 0.00 C ATOM 32 CG ASN A 113 129.014 -6.335 8.233 1.00 0.00 C ATOM 33 OD1 ASN A 113 128.240 -5.394 8.055 1.00 0.00 O ATOM 34 ND2 ASN A 113 130.333 -6.203 8.145 1.00 0.00 N ATOM 0 H ASN A 113 126.961 -6.706 6.262 1.00 0.00 H new ATOM 0 HA ASN A 113 128.202 -8.565 6.623 1.00 0.00 H new ATOM 0 HB2 ASN A 113 127.946 -7.683 9.507 1.00 0.00 H new ATOM 0 HB3 ASN A 113 129.338 -8.395 8.714 1.00 0.00 H new ATOM 0 HD21 ASN A 113 130.741 -5.295 7.922 1.00 0.00 H new ATOM 0 HD22 ASN A 113 130.938 -7.010 8.300 1.00 0.00 H new ATOM 41 N LEU A 114 126.299 -10.274 7.028 1.00 0.00 N ATOM 42 CA LEU A 114 125.556 -11.494 7.350 1.00 0.00 C ATOM 43 C LEU A 114 126.078 -12.690 6.558 1.00 0.00 C ATOM 44 O LEU A 114 126.796 -12.531 5.572 1.00 0.00 O ATOM 45 CB LEU A 114 124.069 -11.304 7.028 1.00 0.00 C ATOM 46 CG LEU A 114 123.317 -10.313 7.914 1.00 0.00 C ATOM 47 CD1 LEU A 114 121.885 -10.152 7.428 1.00 0.00 C ATOM 48 CD2 LEU A 114 123.335 -10.771 9.363 1.00 0.00 C ATOM 0 H LEU A 114 126.347 -10.064 6.031 1.00 0.00 H new ATOM 0 HA LEU A 114 125.691 -11.689 8.414 1.00 0.00 H new ATOM 0 HB2 LEU A 114 123.980 -10.976 5.992 1.00 0.00 H new ATOM 0 HB3 LEU A 114 123.575 -12.273 7.099 1.00 0.00 H new ATOM 0 HG LEU A 114 123.818 -9.347 7.852 1.00 0.00 H new ATOM 0 HD11 LEU A 114 121.361 -9.443 8.069 1.00 0.00 H new ATOM 0 HD12 LEU A 114 121.888 -9.781 6.403 1.00 0.00 H new ATOM 0 HD13 LEU A 114 121.378 -11.116 7.463 1.00 0.00 H new ATOM 0 HD21 LEU A 114 122.794 -10.052 9.979 1.00 0.00 H new ATOM 0 HD22 LEU A 114 122.858 -11.748 9.442 1.00 0.00 H new ATOM 0 HD23 LEU A 114 124.366 -10.842 9.709 1.00 0.00 H new ATOM 60 N THR A 115 125.704 -13.887 6.996 1.00 0.00 N ATOM 61 CA THR A 115 126.110 -15.117 6.322 1.00 0.00 C ATOM 62 C THR A 115 125.099 -15.456 5.225 1.00 0.00 C ATOM 63 O THR A 115 123.933 -15.075 5.319 1.00 0.00 O ATOM 64 CB THR A 115 126.197 -16.264 7.333 1.00 0.00 C ATOM 65 OG1 THR A 115 124.946 -16.471 7.959 1.00 0.00 O ATOM 66 CG2 THR A 115 127.221 -16.025 8.421 1.00 0.00 C ATOM 0 H THR A 115 125.118 -14.033 7.818 1.00 0.00 H new ATOM 0 HA THR A 115 127.092 -14.974 5.871 1.00 0.00 H new ATOM 0 HB THR A 115 126.501 -17.138 6.757 1.00 0.00 H new ATOM 0 HG1 THR A 115 125.086 -16.704 8.901 1.00 0.00 H new ATOM 0 HG21 THR A 115 127.232 -16.875 9.103 1.00 0.00 H new ATOM 0 HG22 THR A 115 128.207 -15.907 7.973 1.00 0.00 H new ATOM 0 HG23 THR A 115 126.962 -15.121 8.972 1.00 0.00 H new ATOM 74 N PRO A 116 125.516 -16.164 4.162 1.00 0.00 N ATOM 75 CA PRO A 116 124.614 -16.523 3.064 1.00 0.00 C ATOM 76 C PRO A 116 123.311 -17.149 3.567 1.00 0.00 C ATOM 77 O PRO A 116 122.221 -16.748 3.158 1.00 0.00 O ATOM 78 CB PRO A 116 125.431 -17.526 2.225 1.00 0.00 C ATOM 79 CG PRO A 116 126.628 -17.863 3.057 1.00 0.00 C ATOM 80 CD PRO A 116 126.876 -16.667 3.929 1.00 0.00 C ATOM 0 HA PRO A 116 124.299 -15.650 2.492 1.00 0.00 H new ATOM 0 HB2 PRO A 116 124.846 -18.418 2.000 1.00 0.00 H new ATOM 0 HB3 PRO A 116 125.727 -17.090 1.271 1.00 0.00 H new ATOM 0 HG2 PRO A 116 126.447 -18.754 3.659 1.00 0.00 H new ATOM 0 HG3 PRO A 116 127.493 -18.074 2.428 1.00 0.00 H new ATOM 0 HD2 PRO A 116 127.375 -16.938 4.860 1.00 0.00 H new ATOM 0 HD3 PRO A 116 127.505 -15.926 3.435 1.00 0.00 H new ATOM 88 N GLU A 117 123.431 -18.121 4.465 1.00 0.00 N ATOM 89 CA GLU A 117 122.268 -18.791 5.038 1.00 0.00 C ATOM 90 C GLU A 117 121.409 -17.798 5.808 1.00 0.00 C ATOM 91 O GLU A 117 120.183 -17.895 5.806 1.00 0.00 O ATOM 92 CB GLU A 117 122.697 -19.931 5.968 1.00 0.00 C ATOM 93 CG GLU A 117 123.282 -21.139 5.251 1.00 0.00 C ATOM 94 CD GLU A 117 124.549 -20.817 4.485 1.00 0.00 C ATOM 95 OE1 GLU A 117 124.474 -20.027 3.523 1.00 0.00 O ATOM 96 OE2 GLU A 117 125.615 -21.355 4.848 1.00 0.00 O ATOM 0 H GLU A 117 124.326 -18.464 4.813 1.00 0.00 H new ATOM 0 HA GLU A 117 121.684 -19.210 4.218 1.00 0.00 H new ATOM 0 HB2 GLU A 117 123.435 -19.550 6.674 1.00 0.00 H new ATOM 0 HB3 GLU A 117 121.834 -20.252 6.551 1.00 0.00 H new ATOM 0 HG2 GLU A 117 123.494 -21.920 5.981 1.00 0.00 H new ATOM 0 HG3 GLU A 117 122.539 -21.540 4.561 1.00 0.00 H new ATOM 103 N GLU A 118 122.058 -16.836 6.457 1.00 0.00 N ATOM 104 CA GLU A 118 121.345 -15.820 7.218 1.00 0.00 C ATOM 105 C GLU A 118 120.522 -14.943 6.283 1.00 0.00 C ATOM 106 O GLU A 118 119.344 -14.694 6.527 1.00 0.00 O ATOM 107 CB GLU A 118 122.324 -14.994 8.050 1.00 0.00 C ATOM 108 CG GLU A 118 122.733 -15.699 9.334 1.00 0.00 C ATOM 109 CD GLU A 118 123.910 -15.040 10.029 1.00 0.00 C ATOM 110 OE1 GLU A 118 123.786 -13.864 10.425 1.00 0.00 O ATOM 111 OE2 GLU A 118 124.956 -15.704 10.181 1.00 0.00 O ATOM 0 H GLU A 118 123.073 -16.740 6.470 1.00 0.00 H new ATOM 0 HA GLU A 118 120.657 -16.308 7.908 1.00 0.00 H new ATOM 0 HB2 GLU A 118 123.213 -14.783 7.456 1.00 0.00 H new ATOM 0 HB3 GLU A 118 121.869 -14.034 8.295 1.00 0.00 H new ATOM 0 HG2 GLU A 118 121.883 -15.721 10.016 1.00 0.00 H new ATOM 0 HG3 GLU A 118 122.987 -16.735 9.107 1.00 0.00 H new ATOM 118 N LYS A 119 121.130 -14.531 5.178 1.00 0.00 N ATOM 119 CA LYS A 119 120.418 -13.742 4.181 1.00 0.00 C ATOM 120 C LYS A 119 119.179 -14.491 3.717 1.00 0.00 C ATOM 121 O LYS A 119 118.156 -13.885 3.398 1.00 0.00 O ATOM 122 CB LYS A 119 121.290 -13.456 2.956 1.00 0.00 C ATOM 123 CG LYS A 119 122.269 -12.308 3.131 1.00 0.00 C ATOM 124 CD LYS A 119 123.564 -12.742 3.791 1.00 0.00 C ATOM 125 CE LYS A 119 124.663 -11.732 3.523 1.00 0.00 C ATOM 126 NZ LYS A 119 125.047 -11.702 2.086 1.00 0.00 N ATOM 0 H LYS A 119 122.105 -14.727 4.951 1.00 0.00 H new ATOM 0 HA LYS A 119 120.147 -12.797 4.651 1.00 0.00 H new ATOM 0 HB2 LYS A 119 121.849 -14.358 2.706 1.00 0.00 H new ATOM 0 HB3 LYS A 119 120.641 -13.237 2.108 1.00 0.00 H new ATOM 0 HG2 LYS A 119 122.490 -11.872 2.157 1.00 0.00 H new ATOM 0 HG3 LYS A 119 121.803 -11.527 3.732 1.00 0.00 H new ATOM 0 HD2 LYS A 119 123.414 -12.848 4.865 1.00 0.00 H new ATOM 0 HD3 LYS A 119 123.861 -13.720 3.413 1.00 0.00 H new ATOM 0 HE2 LYS A 119 124.329 -10.741 3.831 1.00 0.00 H new ATOM 0 HE3 LYS A 119 125.536 -11.976 4.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 126.082 -11.760 2.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 124.614 -12.509 1.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 124.714 -10.815 1.656 1.00 0.00 H new ATOM 140 N PHE A 120 119.283 -15.809 3.660 1.00 0.00 N ATOM 141 CA PHE A 120 118.172 -16.635 3.210 1.00 0.00 C ATOM 142 C PHE A 120 117.025 -16.627 4.215 1.00 0.00 C ATOM 143 O PHE A 120 115.868 -16.456 3.836 1.00 0.00 O ATOM 144 CB PHE A 120 118.641 -18.061 2.923 1.00 0.00 C ATOM 145 CG PHE A 120 117.507 -19.023 2.711 1.00 0.00 C ATOM 146 CD1 PHE A 120 116.617 -18.829 1.672 1.00 0.00 C ATOM 147 CD2 PHE A 120 117.317 -20.106 3.557 1.00 0.00 C ATOM 148 CE1 PHE A 120 115.558 -19.691 1.472 1.00 0.00 C ATOM 149 CE2 PHE A 120 116.261 -20.977 3.362 1.00 0.00 C ATOM 150 CZ PHE A 120 115.379 -20.768 2.317 1.00 0.00 C ATOM 0 H PHE A 120 120.122 -16.329 3.918 1.00 0.00 H new ATOM 0 HA PHE A 120 117.794 -16.206 2.282 1.00 0.00 H new ATOM 0 HB2 PHE A 120 119.276 -18.057 2.037 1.00 0.00 H new ATOM 0 HB3 PHE A 120 119.255 -18.409 3.754 1.00 0.00 H new ATOM 0 HD1 PHE A 120 116.752 -17.990 1.006 1.00 0.00 H new ATOM 0 HD2 PHE A 120 118.001 -20.270 4.376 1.00 0.00 H new ATOM 0 HE1 PHE A 120 114.871 -19.523 0.656 1.00 0.00 H new ATOM 0 HE2 PHE A 120 116.125 -21.819 4.024 1.00 0.00 H new ATOM 0 HZ PHE A 120 114.552 -21.446 2.163 1.00 0.00 H new ATOM 160 N GLU A 121 117.332 -16.803 5.483 1.00 0.00 N ATOM 161 CA GLU A 121 116.296 -16.801 6.511 1.00 0.00 C ATOM 162 C GLU A 121 115.805 -15.378 6.784 1.00 0.00 C ATOM 163 O GLU A 121 114.719 -15.183 7.332 1.00 0.00 O ATOM 164 CB GLU A 121 116.799 -17.469 7.797 1.00 0.00 C ATOM 165 CG GLU A 121 118.140 -16.957 8.267 1.00 0.00 C ATOM 166 CD GLU A 121 118.683 -17.738 9.448 1.00 0.00 C ATOM 167 OE1 GLU A 121 118.884 -18.963 9.307 1.00 0.00 O ATOM 168 OE2 GLU A 121 118.906 -17.126 10.514 1.00 0.00 O ATOM 0 H GLU A 121 118.280 -16.949 5.831 1.00 0.00 H new ATOM 0 HA GLU A 121 115.451 -17.383 6.143 1.00 0.00 H new ATOM 0 HB2 GLU A 121 116.064 -17.314 8.587 1.00 0.00 H new ATOM 0 HB3 GLU A 121 116.868 -18.544 7.633 1.00 0.00 H new ATOM 0 HG2 GLU A 121 118.853 -17.008 7.444 1.00 0.00 H new ATOM 0 HG3 GLU A 121 118.047 -15.907 8.543 1.00 0.00 H new ATOM 175 N VAL A 122 116.616 -14.389 6.416 1.00 0.00 N ATOM 176 CA VAL A 122 116.269 -12.983 6.639 1.00 0.00 C ATOM 177 C VAL A 122 115.640 -12.311 5.411 1.00 0.00 C ATOM 178 O VAL A 122 114.519 -11.810 5.492 1.00 0.00 O ATOM 179 CB VAL A 122 117.501 -12.176 7.080 1.00 0.00 C ATOM 180 CG1 VAL A 122 117.127 -10.730 7.357 1.00 0.00 C ATOM 181 CG2 VAL A 122 118.136 -12.815 8.301 1.00 0.00 C ATOM 0 H VAL A 122 117.518 -14.533 5.962 1.00 0.00 H new ATOM 0 HA VAL A 122 115.521 -12.987 7.432 1.00 0.00 H new ATOM 0 HB VAL A 122 118.229 -12.183 6.269 1.00 0.00 H new ATOM 0 HG11 VAL A 122 118.014 -10.178 7.668 1.00 0.00 H new ATOM 0 HG12 VAL A 122 116.718 -10.280 6.452 1.00 0.00 H new ATOM 0 HG13 VAL A 122 116.380 -10.693 8.150 1.00 0.00 H new ATOM 0 HG21 VAL A 122 119.007 -12.234 8.604 1.00 0.00 H new ATOM 0 HG22 VAL A 122 117.414 -12.838 9.117 1.00 0.00 H new ATOM 0 HG23 VAL A 122 118.444 -13.833 8.061 1.00 0.00 H new ATOM 191 N PHE A 123 116.354 -12.271 4.286 1.00 0.00 N ATOM 192 CA PHE A 123 115.828 -11.619 3.077 1.00 0.00 C ATOM 193 C PHE A 123 115.200 -12.612 2.099 1.00 0.00 C ATOM 194 O PHE A 123 114.803 -12.230 0.999 1.00 0.00 O ATOM 195 CB PHE A 123 116.923 -10.838 2.346 1.00 0.00 C ATOM 196 CG PHE A 123 117.570 -9.757 3.164 1.00 0.00 C ATOM 197 CD1 PHE A 123 118.459 -10.077 4.172 1.00 0.00 C ATOM 198 CD2 PHE A 123 117.293 -8.420 2.920 1.00 0.00 C ATOM 199 CE1 PHE A 123 119.063 -9.090 4.925 1.00 0.00 C ATOM 200 CE2 PHE A 123 117.892 -7.426 3.669 1.00 0.00 C ATOM 201 CZ PHE A 123 118.779 -7.761 4.674 1.00 0.00 C ATOM 0 H PHE A 123 117.285 -12.675 4.182 1.00 0.00 H new ATOM 0 HA PHE A 123 115.052 -10.936 3.423 1.00 0.00 H new ATOM 0 HB2 PHE A 123 117.692 -11.537 2.017 1.00 0.00 H new ATOM 0 HB3 PHE A 123 116.495 -10.390 1.449 1.00 0.00 H new ATOM 0 HD1 PHE A 123 118.685 -11.114 4.374 1.00 0.00 H new ATOM 0 HD2 PHE A 123 116.601 -8.153 2.135 1.00 0.00 H new ATOM 0 HE1 PHE A 123 119.756 -9.356 5.709 1.00 0.00 H new ATOM 0 HE2 PHE A 123 117.667 -6.389 3.469 1.00 0.00 H new ATOM 0 HZ PHE A 123 119.249 -6.986 5.262 1.00 0.00 H new ATOM 211 N GLY A 124 115.120 -13.879 2.481 1.00 0.00 N ATOM 212 CA GLY A 124 114.546 -14.871 1.587 1.00 0.00 C ATOM 213 C GLY A 124 115.308 -14.956 0.279 1.00 0.00 C ATOM 214 O GLY A 124 115.348 -13.996 -0.491 1.00 0.00 O ATOM 0 H GLY A 124 115.437 -14.237 3.382 1.00 0.00 H new ATOM 0 HA2 GLY A 124 114.550 -15.846 2.075 1.00 0.00 H new ATOM 0 HA3 GLY A 124 113.505 -14.620 1.386 1.00 0.00 H new ATOM 218 N ASP A 125 115.924 -16.107 0.049 1.00 0.00 N ATOM 219 CA ASP A 125 116.725 -16.366 -1.149 1.00 0.00 C ATOM 220 C ASP A 125 117.086 -15.087 -1.905 1.00 0.00 C ATOM 221 O ASP A 125 116.815 -14.968 -3.100 1.00 0.00 O ATOM 222 CB ASP A 125 115.975 -17.316 -2.082 1.00 0.00 C ATOM 223 CG ASP A 125 114.642 -16.752 -2.533 1.00 0.00 C ATOM 224 OD1 ASP A 125 114.305 -15.623 -2.120 1.00 0.00 O ATOM 225 OD2 ASP A 125 113.935 -17.440 -3.300 1.00 0.00 O ATOM 0 H ASP A 125 115.884 -16.898 0.692 1.00 0.00 H new ATOM 0 HA ASP A 125 117.657 -16.822 -0.815 1.00 0.00 H new ATOM 0 HB2 ASP A 125 116.592 -17.525 -2.956 1.00 0.00 H new ATOM 0 HB3 ASP A 125 115.811 -18.266 -1.573 1.00 0.00 H new ATOM 230 N PHE A 126 117.701 -14.138 -1.205 1.00 0.00 N ATOM 231 CA PHE A 126 118.108 -12.868 -1.802 1.00 0.00 C ATOM 232 C PHE A 126 119.549 -12.567 -1.405 1.00 0.00 C ATOM 233 O PHE A 126 119.840 -12.346 -0.230 1.00 0.00 O ATOM 234 CB PHE A 126 117.180 -11.751 -1.318 1.00 0.00 C ATOM 235 CG PHE A 126 117.467 -10.394 -1.908 1.00 0.00 C ATOM 236 CD1 PHE A 126 117.311 -10.167 -3.266 1.00 0.00 C ATOM 237 CD2 PHE A 126 117.879 -9.342 -1.101 1.00 0.00 C ATOM 238 CE1 PHE A 126 117.557 -8.918 -3.808 1.00 0.00 C ATOM 239 CE2 PHE A 126 118.129 -8.093 -1.638 1.00 0.00 C ATOM 240 CZ PHE A 126 117.967 -7.879 -2.993 1.00 0.00 C ATOM 0 H PHE A 126 117.930 -14.225 -0.215 1.00 0.00 H new ATOM 0 HA PHE A 126 118.042 -12.932 -2.888 1.00 0.00 H new ATOM 0 HB2 PHE A 126 116.151 -12.024 -1.553 1.00 0.00 H new ATOM 0 HB3 PHE A 126 117.251 -11.683 -0.232 1.00 0.00 H new ATOM 0 HD1 PHE A 126 116.994 -10.975 -3.909 1.00 0.00 H new ATOM 0 HD2 PHE A 126 118.006 -9.502 -0.040 1.00 0.00 H new ATOM 0 HE1 PHE A 126 117.429 -8.755 -4.868 1.00 0.00 H new ATOM 0 HE2 PHE A 126 118.451 -7.285 -0.998 1.00 0.00 H new ATOM 0 HZ PHE A 126 118.160 -6.903 -3.414 1.00 0.00 H new ATOM 250 N ASP A 127 120.457 -12.589 -2.379 1.00 0.00 N ATOM 251 CA ASP A 127 121.873 -12.346 -2.105 1.00 0.00 C ATOM 252 C ASP A 127 122.317 -10.950 -2.545 1.00 0.00 C ATOM 253 O ASP A 127 122.816 -10.778 -3.657 1.00 0.00 O ATOM 254 CB ASP A 127 122.720 -13.398 -2.822 1.00 0.00 C ATOM 255 CG ASP A 127 124.206 -13.168 -2.632 1.00 0.00 C ATOM 256 OD1 ASP A 127 124.696 -12.096 -3.043 1.00 0.00 O ATOM 257 OD2 ASP A 127 124.879 -14.060 -2.073 1.00 0.00 O ATOM 0 H ASP A 127 120.240 -12.771 -3.359 1.00 0.00 H new ATOM 0 HA ASP A 127 122.015 -12.413 -1.026 1.00 0.00 H new ATOM 0 HB2 ASP A 127 122.457 -14.388 -2.449 1.00 0.00 H new ATOM 0 HB3 ASP A 127 122.486 -13.386 -3.887 1.00 0.00 H new ATOM 262 N PRO A 128 122.171 -9.933 -1.672 1.00 0.00 N ATOM 263 CA PRO A 128 122.594 -8.565 -1.984 1.00 0.00 C ATOM 264 C PRO A 128 124.114 -8.445 -2.057 1.00 0.00 C ATOM 265 O PRO A 128 124.650 -7.642 -2.821 1.00 0.00 O ATOM 266 CB PRO A 128 122.038 -7.743 -0.815 1.00 0.00 C ATOM 267 CG PRO A 128 121.954 -8.709 0.312 1.00 0.00 C ATOM 268 CD PRO A 128 121.612 -10.037 -0.309 1.00 0.00 C ATOM 0 HA PRO A 128 122.233 -8.231 -2.957 1.00 0.00 H new ATOM 0 HB2 PRO A 128 122.692 -6.906 -0.572 1.00 0.00 H new ATOM 0 HB3 PRO A 128 121.060 -7.325 -1.053 1.00 0.00 H new ATOM 0 HG2 PRO A 128 122.899 -8.762 0.852 1.00 0.00 H new ATOM 0 HG3 PRO A 128 121.193 -8.406 1.031 1.00 0.00 H new ATOM 0 HD2 PRO A 128 122.055 -10.865 0.245 1.00 0.00 H new ATOM 0 HD3 PRO A 128 120.535 -10.206 -0.328 1.00 0.00 H new ATOM 276 N ASP A 129 124.800 -9.249 -1.245 1.00 0.00 N ATOM 277 CA ASP A 129 126.259 -9.238 -1.202 1.00 0.00 C ATOM 278 C ASP A 129 126.847 -9.251 -2.607 1.00 0.00 C ATOM 279 O ASP A 129 127.872 -8.623 -2.864 1.00 0.00 O ATOM 280 CB ASP A 129 126.780 -10.435 -0.407 1.00 0.00 C ATOM 281 CG ASP A 129 126.419 -11.760 -1.048 1.00 0.00 C ATOM 282 OD1 ASP A 129 126.865 -12.009 -2.187 1.00 0.00 O ATOM 283 OD2 ASP A 129 125.688 -12.549 -0.411 1.00 0.00 O ATOM 0 H ASP A 129 124.366 -9.917 -0.608 1.00 0.00 H new ATOM 0 HA ASP A 129 126.572 -8.319 -0.706 1.00 0.00 H new ATOM 0 HB2 ASP A 129 127.864 -10.363 -0.316 1.00 0.00 H new ATOM 0 HB3 ASP A 129 126.372 -10.401 0.603 1.00 0.00 H new ATOM 288 N GLN A 130 126.190 -9.965 -3.513 1.00 0.00 N ATOM 289 CA GLN A 130 126.651 -10.046 -4.893 1.00 0.00 C ATOM 290 C GLN A 130 126.361 -8.732 -5.607 1.00 0.00 C ATOM 291 O GLN A 130 127.244 -8.143 -6.231 1.00 0.00 O ATOM 292 CB GLN A 130 125.971 -11.220 -5.609 1.00 0.00 C ATOM 293 CG GLN A 130 126.533 -11.530 -6.992 1.00 0.00 C ATOM 294 CD GLN A 130 126.122 -10.524 -8.051 1.00 0.00 C ATOM 295 OE1 GLN A 130 126.524 -9.362 -8.019 1.00 0.00 O ATOM 296 NE2 GLN A 130 125.310 -10.970 -9.004 1.00 0.00 N ATOM 0 H GLN A 130 125.340 -10.494 -3.318 1.00 0.00 H new ATOM 0 HA GLN A 130 127.727 -10.219 -4.906 1.00 0.00 H new ATOM 0 HB2 GLN A 130 126.061 -12.110 -4.986 1.00 0.00 H new ATOM 0 HB3 GLN A 130 124.907 -11.004 -5.703 1.00 0.00 H new ATOM 0 HG2 GLN A 130 127.621 -11.562 -6.935 1.00 0.00 H new ATOM 0 HG3 GLN A 130 126.201 -12.523 -7.296 1.00 0.00 H new ATOM 0 HE21 GLN A 130 124.999 -11.941 -8.995 1.00 0.00 H new ATOM 0 HE22 GLN A 130 124.998 -10.341 -9.744 1.00 0.00 H new ATOM 305 N TYR A 131 125.121 -8.267 -5.493 1.00 0.00 N ATOM 306 CA TYR A 131 124.713 -7.010 -6.111 1.00 0.00 C ATOM 307 C TYR A 131 125.145 -5.828 -5.248 1.00 0.00 C ATOM 308 O TYR A 131 124.598 -4.732 -5.354 1.00 0.00 O ATOM 309 CB TYR A 131 123.197 -6.981 -6.313 1.00 0.00 C ATOM 310 CG TYR A 131 122.671 -8.112 -7.170 1.00 0.00 C ATOM 311 CD1 TYR A 131 122.702 -9.423 -6.714 1.00 0.00 C ATOM 312 CD2 TYR A 131 122.150 -7.872 -8.436 1.00 0.00 C ATOM 313 CE1 TYR A 131 122.228 -10.463 -7.492 1.00 0.00 C ATOM 314 CE2 TYR A 131 121.673 -8.904 -9.220 1.00 0.00 C ATOM 315 CZ TYR A 131 121.715 -10.198 -8.744 1.00 0.00 C ATOM 316 OH TYR A 131 121.242 -11.229 -9.522 1.00 0.00 O ATOM 0 H TYR A 131 124.380 -8.742 -4.978 1.00 0.00 H new ATOM 0 HA TYR A 131 125.199 -6.933 -7.084 1.00 0.00 H new ATOM 0 HB2 TYR A 131 122.710 -7.019 -5.339 1.00 0.00 H new ATOM 0 HB3 TYR A 131 122.919 -6.032 -6.771 1.00 0.00 H new ATOM 0 HD1 TYR A 131 123.104 -9.634 -5.734 1.00 0.00 H new ATOM 0 HD2 TYR A 131 122.118 -6.861 -8.813 1.00 0.00 H new ATOM 0 HE1 TYR A 131 122.259 -11.477 -7.121 1.00 0.00 H new ATOM 0 HE2 TYR A 131 121.269 -8.699 -10.201 1.00 0.00 H new ATOM 0 HH TYR A 131 120.914 -10.872 -10.374 1.00 0.00 H new ATOM 326 N GLU A 132 126.123 -6.066 -4.384 1.00 0.00 N ATOM 327 CA GLU A 132 126.630 -5.035 -3.492 1.00 0.00 C ATOM 328 C GLU A 132 127.340 -3.928 -4.268 1.00 0.00 C ATOM 329 O GLU A 132 127.405 -2.785 -3.818 1.00 0.00 O ATOM 330 CB GLU A 132 127.601 -5.653 -2.489 1.00 0.00 C ATOM 331 CG GLU A 132 128.906 -6.117 -3.114 1.00 0.00 C ATOM 332 CD GLU A 132 129.804 -6.836 -2.126 1.00 0.00 C ATOM 333 OE1 GLU A 132 129.403 -6.972 -0.951 1.00 0.00 O ATOM 334 OE2 GLU A 132 130.906 -7.263 -2.526 1.00 0.00 O ATOM 0 H GLU A 132 126.583 -6.971 -4.283 1.00 0.00 H new ATOM 0 HA GLU A 132 125.781 -4.596 -2.968 1.00 0.00 H new ATOM 0 HB2 GLU A 132 127.820 -4.922 -1.710 1.00 0.00 H new ATOM 0 HB3 GLU A 132 127.118 -6.501 -2.004 1.00 0.00 H new ATOM 0 HG2 GLU A 132 128.688 -6.781 -3.950 1.00 0.00 H new ATOM 0 HG3 GLU A 132 129.436 -5.256 -3.521 1.00 0.00 H new ATOM 341 N GLU A 133 127.901 -4.288 -5.419 1.00 0.00 N ATOM 342 CA GLU A 133 128.645 -3.336 -6.241 1.00 0.00 C ATOM 343 C GLU A 133 127.735 -2.425 -7.064 1.00 0.00 C ATOM 344 O GLU A 133 127.950 -1.216 -7.113 1.00 0.00 O ATOM 345 CB GLU A 133 129.599 -4.085 -7.171 1.00 0.00 C ATOM 346 CG GLU A 133 130.624 -4.932 -6.435 1.00 0.00 C ATOM 347 CD GLU A 133 131.564 -5.660 -7.378 1.00 0.00 C ATOM 348 OE1 GLU A 133 131.075 -6.463 -8.199 1.00 0.00 O ATOM 349 OE2 GLU A 133 132.787 -5.425 -7.295 1.00 0.00 O ATOM 0 H GLU A 133 127.855 -5.231 -5.804 1.00 0.00 H new ATOM 0 HA GLU A 133 129.206 -2.699 -5.558 1.00 0.00 H new ATOM 0 HB2 GLU A 133 129.018 -4.726 -7.834 1.00 0.00 H new ATOM 0 HB3 GLU A 133 130.120 -3.364 -7.801 1.00 0.00 H new ATOM 0 HG2 GLU A 133 131.205 -4.295 -5.769 1.00 0.00 H new ATOM 0 HG3 GLU A 133 130.107 -5.660 -5.810 1.00 0.00 H new ATOM 356 N GLU A 134 126.735 -3.000 -7.731 1.00 0.00 N ATOM 357 CA GLU A 134 125.839 -2.201 -8.565 1.00 0.00 C ATOM 358 C GLU A 134 125.244 -1.037 -7.781 1.00 0.00 C ATOM 359 O GLU A 134 125.006 0.031 -8.337 1.00 0.00 O ATOM 360 CB GLU A 134 124.719 -3.060 -9.159 1.00 0.00 C ATOM 361 CG GLU A 134 123.723 -3.578 -8.136 1.00 0.00 C ATOM 362 CD GLU A 134 122.549 -4.288 -8.781 1.00 0.00 C ATOM 363 OE1 GLU A 134 122.563 -4.453 -10.018 1.00 0.00 O ATOM 364 OE2 GLU A 134 121.615 -4.681 -8.049 1.00 0.00 O ATOM 0 H GLU A 134 126.527 -3.998 -7.712 1.00 0.00 H new ATOM 0 HA GLU A 134 126.436 -1.797 -9.383 1.00 0.00 H new ATOM 0 HB2 GLU A 134 124.184 -2.474 -9.906 1.00 0.00 H new ATOM 0 HB3 GLU A 134 125.164 -3.909 -9.679 1.00 0.00 H new ATOM 0 HG2 GLU A 134 124.229 -4.263 -7.455 1.00 0.00 H new ATOM 0 HG3 GLU A 134 123.356 -2.745 -7.536 1.00 0.00 H new ATOM 371 N VAL A 135 125.011 -1.242 -6.490 1.00 0.00 N ATOM 372 CA VAL A 135 124.448 -0.204 -5.643 1.00 0.00 C ATOM 373 C VAL A 135 125.305 1.053 -5.705 1.00 0.00 C ATOM 374 O VAL A 135 124.815 2.169 -5.537 1.00 0.00 O ATOM 375 CB VAL A 135 124.348 -0.671 -4.179 1.00 0.00 C ATOM 376 CG1 VAL A 135 123.327 0.167 -3.434 1.00 0.00 C ATOM 377 CG2 VAL A 135 124.018 -2.162 -4.098 1.00 0.00 C ATOM 0 H VAL A 135 125.205 -2.120 -6.009 1.00 0.00 H new ATOM 0 HA VAL A 135 123.446 0.013 -6.013 1.00 0.00 H new ATOM 0 HB VAL A 135 125.317 -0.531 -3.701 1.00 0.00 H new ATOM 0 HG11 VAL A 135 123.264 -0.171 -2.400 1.00 0.00 H new ATOM 0 HG12 VAL A 135 123.630 1.214 -3.456 1.00 0.00 H new ATOM 0 HG13 VAL A 135 122.352 0.061 -3.910 1.00 0.00 H new ATOM 0 HG21 VAL A 135 123.954 -2.464 -3.053 1.00 0.00 H new ATOM 0 HG22 VAL A 135 123.064 -2.351 -4.590 1.00 0.00 H new ATOM 0 HG23 VAL A 135 124.801 -2.735 -4.594 1.00 0.00 H new ATOM 387 N ARG A 136 126.580 0.853 -6.008 1.00 0.00 N ATOM 388 CA ARG A 136 127.510 1.960 -6.165 1.00 0.00 C ATOM 389 C ARG A 136 127.290 2.627 -7.525 1.00 0.00 C ATOM 390 O ARG A 136 127.281 3.850 -7.642 1.00 0.00 O ATOM 391 CB ARG A 136 128.956 1.484 -6.015 1.00 0.00 C ATOM 392 CG ARG A 136 129.206 0.664 -4.757 1.00 0.00 C ATOM 393 CD ARG A 136 129.027 1.498 -3.496 1.00 0.00 C ATOM 394 NE ARG A 136 129.354 0.743 -2.289 1.00 0.00 N ATOM 395 CZ ARG A 136 128.678 -0.326 -1.881 1.00 0.00 C ATOM 396 NH1 ARG A 136 127.626 -0.749 -2.567 1.00 0.00 N ATOM 397 NH2 ARG A 136 129.050 -0.968 -0.781 1.00 0.00 N ATOM 0 H ARG A 136 126.994 -0.068 -6.150 1.00 0.00 H new ATOM 0 HA ARG A 136 127.324 2.693 -5.380 1.00 0.00 H new ATOM 0 HB2 ARG A 136 129.224 0.886 -6.886 1.00 0.00 H new ATOM 0 HB3 ARG A 136 129.615 2.352 -6.009 1.00 0.00 H new ATOM 0 HG2 ARG A 136 128.521 -0.183 -4.733 1.00 0.00 H new ATOM 0 HG3 ARG A 136 130.217 0.256 -4.783 1.00 0.00 H new ATOM 0 HD2 ARG A 136 129.662 2.382 -3.553 1.00 0.00 H new ATOM 0 HD3 ARG A 136 127.997 1.848 -3.436 1.00 0.00 H new ATOM 0 HE ARG A 136 130.146 1.054 -1.727 1.00 0.00 H new ATOM 0 HH11 ARG A 136 127.334 -0.254 -3.410 1.00 0.00 H new ATOM 0 HH12 ARG A 136 127.108 -1.570 -2.252 1.00 0.00 H new ATOM 0 HH21 ARG A 136 129.856 -0.641 -0.248 1.00 0.00 H new ATOM 0 HH22 ARG A 136 128.530 -1.788 -0.469 1.00 0.00 H new ATOM 411 N GLU A 137 127.109 1.792 -8.552 1.00 0.00 N ATOM 412 CA GLU A 137 126.883 2.259 -9.916 1.00 0.00 C ATOM 413 C GLU A 137 125.471 2.815 -10.108 1.00 0.00 C ATOM 414 O GLU A 137 125.266 3.725 -10.912 1.00 0.00 O ATOM 415 CB GLU A 137 127.135 1.128 -10.919 1.00 0.00 C ATOM 416 CG GLU A 137 128.609 0.827 -11.152 1.00 0.00 C ATOM 417 CD GLU A 137 129.296 0.245 -9.934 1.00 0.00 C ATOM 418 OE1 GLU A 137 128.607 0.003 -8.924 1.00 0.00 O ATOM 419 OE2 GLU A 137 130.523 0.022 -9.995 1.00 0.00 O ATOM 0 H GLU A 137 127.116 0.776 -8.458 1.00 0.00 H new ATOM 0 HA GLU A 137 127.588 3.070 -10.097 1.00 0.00 H new ATOM 0 HB2 GLU A 137 126.641 0.224 -10.563 1.00 0.00 H new ATOM 0 HB3 GLU A 137 126.673 1.390 -11.871 1.00 0.00 H new ATOM 0 HG2 GLU A 137 128.704 0.129 -11.984 1.00 0.00 H new ATOM 0 HG3 GLU A 137 129.119 1.744 -11.446 1.00 0.00 H new ATOM 426 N ARG A 138 124.499 2.276 -9.377 1.00 0.00 N ATOM 427 CA ARG A 138 123.123 2.748 -9.501 1.00 0.00 C ATOM 428 C ARG A 138 123.075 4.256 -9.309 1.00 0.00 C ATOM 429 O ARG A 138 122.645 4.992 -10.196 1.00 0.00 O ATOM 430 CB ARG A 138 122.214 2.058 -8.478 1.00 0.00 C ATOM 431 CG ARG A 138 121.945 0.588 -8.768 1.00 0.00 C ATOM 432 CD ARG A 138 121.000 0.405 -9.948 1.00 0.00 C ATOM 433 NE ARG A 138 119.732 1.100 -9.746 1.00 0.00 N ATOM 434 CZ ARG A 138 118.870 0.800 -8.779 1.00 0.00 C ATOM 435 NH1 ARG A 138 119.128 -0.196 -7.942 1.00 0.00 N ATOM 436 NH2 ARG A 138 117.746 1.491 -8.653 1.00 0.00 N ATOM 0 H ARG A 138 124.635 1.523 -8.702 1.00 0.00 H new ATOM 0 HA ARG A 138 122.762 2.500 -10.499 1.00 0.00 H new ATOM 0 HB2 ARG A 138 122.667 2.144 -7.491 1.00 0.00 H new ATOM 0 HB3 ARG A 138 121.263 2.588 -8.439 1.00 0.00 H new ATOM 0 HG2 ARG A 138 122.887 0.081 -8.976 1.00 0.00 H new ATOM 0 HG3 ARG A 138 121.517 0.116 -7.884 1.00 0.00 H new ATOM 0 HD2 ARG A 138 121.477 0.777 -10.855 1.00 0.00 H new ATOM 0 HD3 ARG A 138 120.811 -0.658 -10.100 1.00 0.00 H new ATOM 0 HE ARG A 138 119.494 1.860 -10.384 1.00 0.00 H new ATOM 0 HH11 ARG A 138 119.989 -0.734 -8.039 1.00 0.00 H new ATOM 0 HH12 ARG A 138 118.465 -0.424 -7.201 1.00 0.00 H new ATOM 0 HH21 ARG A 138 117.541 2.254 -9.298 1.00 0.00 H new ATOM 0 HH22 ARG A 138 117.086 1.260 -7.911 1.00 0.00 H new ATOM 450 N TRP A 139 123.544 4.713 -8.155 1.00 0.00 N ATOM 451 CA TRP A 139 123.580 6.137 -7.857 1.00 0.00 C ATOM 452 C TRP A 139 124.893 6.495 -7.176 1.00 0.00 C ATOM 453 O TRP A 139 125.559 7.459 -7.554 1.00 0.00 O ATOM 454 CB TRP A 139 122.398 6.512 -6.962 1.00 0.00 C ATOM 455 CG TRP A 139 122.349 5.735 -5.678 1.00 0.00 C ATOM 456 CD1 TRP A 139 123.185 5.854 -4.603 1.00 0.00 C ATOM 457 CD2 TRP A 139 121.418 4.700 -5.344 1.00 0.00 C ATOM 458 NE1 TRP A 139 122.821 4.966 -3.620 1.00 0.00 N ATOM 459 CE2 TRP A 139 121.741 4.245 -4.052 1.00 0.00 C ATOM 460 CE3 TRP A 139 120.339 4.118 -6.012 1.00 0.00 C ATOM 461 CZ2 TRP A 139 121.023 3.236 -3.417 1.00 0.00 C ATOM 462 CZ3 TRP A 139 119.629 3.116 -5.381 1.00 0.00 C ATOM 463 CH2 TRP A 139 119.972 2.684 -4.095 1.00 0.00 C ATOM 0 H TRP A 139 123.905 4.117 -7.410 1.00 0.00 H new ATOM 0 HA TRP A 139 123.507 6.698 -8.789 1.00 0.00 H new ATOM 0 HB2 TRP A 139 122.450 7.576 -6.732 1.00 0.00 H new ATOM 0 HB3 TRP A 139 121.471 6.350 -7.511 1.00 0.00 H new ATOM 0 HD1 TRP A 139 124.012 6.546 -4.536 1.00 0.00 H new ATOM 0 HE1 TRP A 139 123.281 4.861 -2.716 1.00 0.00 H new ATOM 0 HE3 TRP A 139 120.065 4.446 -7.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 121.287 2.901 -2.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 118.794 2.657 -5.889 1.00 0.00 H new ATOM 0 HH2 TRP A 139 119.395 1.899 -3.629 1.00 0.00 H new ATOM 474 N GLY A 140 125.269 5.686 -6.191 1.00 0.00 N ATOM 475 CA GLY A 140 126.513 5.892 -5.473 1.00 0.00 C ATOM 476 C GLY A 140 126.899 7.351 -5.334 1.00 0.00 C ATOM 477 O GLY A 140 128.074 7.655 -5.122 1.00 0.00 O ATOM 0 H GLY A 140 124.727 4.882 -5.875 1.00 0.00 H new ATOM 0 HA2 GLY A 140 126.427 5.451 -4.480 1.00 0.00 H new ATOM 0 HA3 GLY A 140 127.313 5.361 -5.989 1.00 0.00 H new ATOM 481 N ASN A 141 125.937 8.266 -5.466 1.00 0.00 N ATOM 482 CA ASN A 141 126.245 9.689 -5.364 1.00 0.00 C ATOM 483 C ASN A 141 125.300 10.381 -4.396 1.00 0.00 C ATOM 484 O ASN A 141 125.293 11.605 -4.280 1.00 0.00 O ATOM 485 CB ASN A 141 126.158 10.340 -6.742 1.00 0.00 C ATOM 486 CG ASN A 141 126.729 11.743 -6.766 1.00 0.00 C ATOM 487 OD1 ASN A 141 126.222 12.648 -6.102 1.00 0.00 O ATOM 488 ND2 ASN A 141 127.795 11.927 -7.532 1.00 0.00 N ATOM 0 H ASN A 141 124.955 8.051 -5.641 1.00 0.00 H new ATOM 0 HA ASN A 141 127.260 9.795 -4.981 1.00 0.00 H new ATOM 0 HB2 ASN A 141 126.692 9.723 -7.465 1.00 0.00 H new ATOM 0 HB3 ASN A 141 125.115 10.372 -7.059 1.00 0.00 H new ATOM 0 HD21 ASN A 141 128.229 12.848 -7.589 1.00 0.00 H new ATOM 0 HD22 ASN A 141 128.181 11.147 -8.065 1.00 0.00 H new ATOM 495 N THR A 142 124.466 9.590 -3.740 1.00 0.00 N ATOM 496 CA THR A 142 123.474 10.122 -2.827 1.00 0.00 C ATOM 497 C THR A 142 124.069 10.400 -1.452 1.00 0.00 C ATOM 498 O THR A 142 124.960 9.691 -0.985 1.00 0.00 O ATOM 499 CB THR A 142 122.337 9.118 -2.691 1.00 0.00 C ATOM 500 OG1 THR A 142 122.735 8.027 -1.881 1.00 0.00 O ATOM 501 CG2 THR A 142 121.877 8.544 -4.016 1.00 0.00 C ATOM 0 H THR A 142 124.459 8.574 -3.825 1.00 0.00 H new ATOM 0 HA THR A 142 123.107 11.065 -3.231 1.00 0.00 H new ATOM 0 HB THR A 142 121.513 9.676 -2.246 1.00 0.00 H new ATOM 0 HG1 THR A 142 122.926 7.251 -2.448 1.00 0.00 H new ATOM 0 HG21 THR A 142 121.066 7.837 -3.844 1.00 0.00 H new ATOM 0 HG22 THR A 142 121.525 9.350 -4.659 1.00 0.00 H new ATOM 0 HG23 THR A 142 122.709 8.031 -4.499 1.00 0.00 H new ATOM 509 N ASP A 143 123.563 11.453 -0.816 1.00 0.00 N ATOM 510 CA ASP A 143 124.028 11.857 0.505 1.00 0.00 C ATOM 511 C ASP A 143 123.432 10.973 1.593 1.00 0.00 C ATOM 512 O ASP A 143 124.099 10.653 2.579 1.00 0.00 O ATOM 513 CB ASP A 143 123.668 13.320 0.767 1.00 0.00 C ATOM 514 CG ASP A 143 122.176 13.577 0.677 1.00 0.00 C ATOM 515 OD1 ASP A 143 121.426 12.620 0.394 1.00 0.00 O ATOM 516 OD2 ASP A 143 121.759 14.734 0.889 1.00 0.00 O ATOM 0 H ASP A 143 122.826 12.045 -1.199 1.00 0.00 H new ATOM 0 HA ASP A 143 125.112 11.743 0.529 1.00 0.00 H new ATOM 0 HB2 ASP A 143 124.024 13.606 1.757 1.00 0.00 H new ATOM 0 HB3 ASP A 143 124.186 13.953 0.047 1.00 0.00 H new ATOM 521 N ALA A 144 122.178 10.573 1.423 1.00 0.00 N ATOM 522 CA ALA A 144 121.546 9.729 2.417 1.00 0.00 C ATOM 523 C ALA A 144 122.411 8.498 2.664 1.00 0.00 C ATOM 524 O ALA A 144 122.690 8.140 3.808 1.00 0.00 O ATOM 525 CB ALA A 144 120.135 9.336 1.987 1.00 0.00 C ATOM 0 H ALA A 144 121.593 10.815 0.623 1.00 0.00 H new ATOM 0 HA ALA A 144 121.454 10.287 3.349 1.00 0.00 H new ATOM 0 HB1 ALA A 144 119.685 8.703 2.752 1.00 0.00 H new ATOM 0 HB2 ALA A 144 119.531 10.234 1.857 1.00 0.00 H new ATOM 0 HB3 ALA A 144 120.181 8.790 1.045 1.00 0.00 H new ATOM 531 N TYR A 145 122.835 7.846 1.565 1.00 0.00 N ATOM 532 CA TYR A 145 123.673 6.642 1.650 1.00 0.00 C ATOM 533 C TYR A 145 124.855 6.845 2.586 1.00 0.00 C ATOM 534 O TYR A 145 125.333 5.894 3.205 1.00 0.00 O ATOM 535 CB TYR A 145 124.163 6.269 0.245 1.00 0.00 C ATOM 536 CG TYR A 145 124.842 4.916 0.147 1.00 0.00 C ATOM 537 CD1 TYR A 145 124.183 3.755 0.536 1.00 0.00 C ATOM 538 CD2 TYR A 145 126.138 4.802 -0.351 1.00 0.00 C ATOM 539 CE1 TYR A 145 124.797 2.520 0.434 1.00 0.00 C ATOM 540 CE2 TYR A 145 126.756 3.569 -0.455 1.00 0.00 C ATOM 541 CZ TYR A 145 126.082 2.432 -0.062 1.00 0.00 C ATOM 542 OH TYR A 145 126.693 1.205 -0.164 1.00 0.00 O ATOM 0 H TYR A 145 122.610 8.134 0.613 1.00 0.00 H new ATOM 0 HA TYR A 145 123.072 5.831 2.060 1.00 0.00 H new ATOM 0 HB2 TYR A 145 123.313 6.283 -0.437 1.00 0.00 H new ATOM 0 HB3 TYR A 145 124.859 7.035 -0.097 1.00 0.00 H new ATOM 0 HD1 TYR A 145 123.177 3.819 0.923 1.00 0.00 H new ATOM 0 HD2 TYR A 145 126.668 5.690 -0.661 1.00 0.00 H new ATOM 0 HE1 TYR A 145 124.273 1.627 0.741 1.00 0.00 H new ATOM 0 HE2 TYR A 145 127.762 3.497 -0.842 1.00 0.00 H new ATOM 0 HH TYR A 145 126.015 0.514 -0.317 1.00 0.00 H new ATOM 552 N ARG A 146 125.315 8.080 2.706 1.00 0.00 N ATOM 553 CA ARG A 146 126.430 8.380 3.591 1.00 0.00 C ATOM 554 C ARG A 146 126.012 8.181 5.046 1.00 0.00 C ATOM 555 O ARG A 146 126.731 7.565 5.835 1.00 0.00 O ATOM 556 CB ARG A 146 126.915 9.813 3.375 1.00 0.00 C ATOM 557 CG ARG A 146 128.042 10.215 4.304 1.00 0.00 C ATOM 558 CD ARG A 146 128.481 11.651 4.061 1.00 0.00 C ATOM 559 NE ARG A 146 128.924 11.865 2.685 1.00 0.00 N ATOM 560 CZ ARG A 146 129.981 11.264 2.147 1.00 0.00 C ATOM 561 NH1 ARG A 146 130.718 10.436 2.873 1.00 0.00 N ATOM 562 NH2 ARG A 146 130.305 11.498 0.883 1.00 0.00 N ATOM 0 H ARG A 146 124.938 8.885 2.206 1.00 0.00 H new ATOM 0 HA ARG A 146 127.249 7.699 3.361 1.00 0.00 H new ATOM 0 HB2 ARG A 146 127.248 9.924 2.343 1.00 0.00 H new ATOM 0 HB3 ARG A 146 126.078 10.497 3.515 1.00 0.00 H new ATOM 0 HG2 ARG A 146 127.719 10.103 5.339 1.00 0.00 H new ATOM 0 HG3 ARG A 146 128.890 9.545 4.160 1.00 0.00 H new ATOM 0 HD2 ARG A 146 127.654 12.325 4.284 1.00 0.00 H new ATOM 0 HD3 ARG A 146 129.291 11.903 4.745 1.00 0.00 H new ATOM 0 HE ARG A 146 128.392 12.513 2.104 1.00 0.00 H new ATOM 0 HH11 ARG A 146 130.475 10.258 3.848 1.00 0.00 H new ATOM 0 HH12 ARG A 146 131.528 9.977 2.457 1.00 0.00 H new ATOM 0 HH21 ARG A 146 129.743 12.139 0.323 1.00 0.00 H new ATOM 0 HH22 ARG A 146 131.116 11.037 0.471 1.00 0.00 H new ATOM 576 N GLN A 147 124.839 8.707 5.387 1.00 0.00 N ATOM 577 CA GLN A 147 124.304 8.597 6.744 1.00 0.00 C ATOM 578 C GLN A 147 123.869 7.172 7.078 1.00 0.00 C ATOM 579 O GLN A 147 123.889 6.765 8.238 1.00 0.00 O ATOM 580 CB GLN A 147 123.105 9.539 6.926 1.00 0.00 C ATOM 581 CG GLN A 147 123.488 10.970 7.257 1.00 0.00 C ATOM 582 CD GLN A 147 124.233 11.663 6.133 1.00 0.00 C ATOM 583 OE1 GLN A 147 124.757 12.765 6.307 1.00 0.00 O ATOM 584 NE2 GLN A 147 124.265 11.035 4.966 1.00 0.00 N ATOM 0 H GLN A 147 124.237 9.216 4.740 1.00 0.00 H new ATOM 0 HA GLN A 147 125.109 8.878 7.423 1.00 0.00 H new ATOM 0 HB2 GLN A 147 122.511 9.535 6.012 1.00 0.00 H new ATOM 0 HB3 GLN A 147 122.469 9.151 7.721 1.00 0.00 H new ATOM 0 HG2 GLN A 147 122.586 11.536 7.490 1.00 0.00 H new ATOM 0 HG3 GLN A 147 124.108 10.975 8.153 1.00 0.00 H new ATOM 0 HE21 GLN A 147 123.818 10.124 4.865 1.00 0.00 H new ATOM 0 HE22 GLN A 147 124.736 11.463 4.169 1.00 0.00 H new ATOM 593 N SER A 148 123.442 6.432 6.065 1.00 0.00 N ATOM 594 CA SER A 148 122.959 5.067 6.269 1.00 0.00 C ATOM 595 C SER A 148 124.086 4.072 6.519 1.00 0.00 C ATOM 596 O SER A 148 124.048 3.310 7.483 1.00 0.00 O ATOM 597 CB SER A 148 122.157 4.616 5.054 1.00 0.00 C ATOM 598 OG SER A 148 121.584 3.339 5.269 1.00 0.00 O ATOM 0 H SER A 148 123.419 6.749 5.096 1.00 0.00 H new ATOM 0 HA SER A 148 122.332 5.085 7.160 1.00 0.00 H new ATOM 0 HB2 SER A 148 121.370 5.341 4.844 1.00 0.00 H new ATOM 0 HB3 SER A 148 122.804 4.585 4.178 1.00 0.00 H new ATOM 0 HG SER A 148 121.549 3.154 6.231 1.00 0.00 H new ATOM 604 N LYS A 149 125.072 4.062 5.635 1.00 0.00 N ATOM 605 CA LYS A 149 126.192 3.135 5.750 1.00 0.00 C ATOM 606 C LYS A 149 126.909 3.275 7.090 1.00 0.00 C ATOM 607 O LYS A 149 127.206 2.279 7.750 1.00 0.00 O ATOM 608 CB LYS A 149 127.174 3.364 4.603 1.00 0.00 C ATOM 609 CG LYS A 149 127.778 4.756 4.602 1.00 0.00 C ATOM 610 CD LYS A 149 128.443 5.088 3.273 1.00 0.00 C ATOM 611 CE LYS A 149 129.481 4.048 2.877 1.00 0.00 C ATOM 612 NZ LYS A 149 128.862 2.736 2.541 1.00 0.00 N ATOM 0 H LYS A 149 125.121 4.685 4.829 1.00 0.00 H new ATOM 0 HA LYS A 149 125.794 2.122 5.694 1.00 0.00 H new ATOM 0 HB2 LYS A 149 127.975 2.627 4.667 1.00 0.00 H new ATOM 0 HB3 LYS A 149 126.662 3.197 3.656 1.00 0.00 H new ATOM 0 HG2 LYS A 149 126.999 5.489 4.811 1.00 0.00 H new ATOM 0 HG3 LYS A 149 128.512 4.833 5.404 1.00 0.00 H new ATOM 0 HD2 LYS A 149 127.683 5.156 2.495 1.00 0.00 H new ATOM 0 HD3 LYS A 149 128.918 6.067 3.340 1.00 0.00 H new ATOM 0 HE2 LYS A 149 130.048 4.411 2.019 1.00 0.00 H new ATOM 0 HE3 LYS A 149 130.190 3.915 3.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 129.336 2.332 1.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 128.965 2.087 3.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 127.852 2.872 2.333 1.00 0.00 H new ATOM 626 N GLU A 150 127.198 4.510 7.484 1.00 0.00 N ATOM 627 CA GLU A 150 127.897 4.765 8.741 1.00 0.00 C ATOM 628 C GLU A 150 127.066 4.334 9.949 1.00 0.00 C ATOM 629 O GLU A 150 127.610 3.890 10.959 1.00 0.00 O ATOM 630 CB GLU A 150 128.246 6.249 8.861 1.00 0.00 C ATOM 631 CG GLU A 150 127.029 7.155 8.942 1.00 0.00 C ATOM 632 CD GLU A 150 127.400 8.623 9.028 1.00 0.00 C ATOM 633 OE1 GLU A 150 128.060 9.125 8.094 1.00 0.00 O ATOM 634 OE2 GLU A 150 127.030 9.271 10.030 1.00 0.00 O ATOM 0 H GLU A 150 126.961 5.349 6.954 1.00 0.00 H new ATOM 0 HA GLU A 150 128.812 4.173 8.731 1.00 0.00 H new ATOM 0 HB2 GLU A 150 128.860 6.399 9.749 1.00 0.00 H new ATOM 0 HB3 GLU A 150 128.850 6.542 8.003 1.00 0.00 H new ATOM 0 HG2 GLU A 150 126.401 6.993 8.066 1.00 0.00 H new ATOM 0 HG3 GLU A 150 126.435 6.882 9.814 1.00 0.00 H new ATOM 641 N LYS A 151 125.751 4.491 9.849 1.00 0.00 N ATOM 642 CA LYS A 151 124.847 4.154 10.916 1.00 0.00 C ATOM 643 C LYS A 151 124.496 2.665 10.930 1.00 0.00 C ATOM 644 O LYS A 151 124.351 2.064 11.993 1.00 0.00 O ATOM 645 CB LYS A 151 123.604 5.012 10.726 1.00 0.00 C ATOM 646 CG LYS A 151 122.380 4.509 11.442 1.00 0.00 C ATOM 647 CD LYS A 151 121.688 3.396 10.672 1.00 0.00 C ATOM 648 CE LYS A 151 120.261 3.199 11.153 1.00 0.00 C ATOM 649 NZ LYS A 151 119.444 4.434 10.992 1.00 0.00 N ATOM 0 H LYS A 151 125.290 4.858 9.016 1.00 0.00 H new ATOM 0 HA LYS A 151 125.316 4.351 11.880 1.00 0.00 H new ATOM 0 HB2 LYS A 151 123.820 6.023 11.071 1.00 0.00 H new ATOM 0 HB3 LYS A 151 123.384 5.079 9.661 1.00 0.00 H new ATOM 0 HG2 LYS A 151 122.662 4.146 12.430 1.00 0.00 H new ATOM 0 HG3 LYS A 151 121.683 5.334 11.592 1.00 0.00 H new ATOM 0 HD2 LYS A 151 121.686 3.633 9.608 1.00 0.00 H new ATOM 0 HD3 LYS A 151 122.246 2.467 10.791 1.00 0.00 H new ATOM 0 HE2 LYS A 151 119.800 2.384 10.596 1.00 0.00 H new ATOM 0 HE3 LYS A 151 120.269 2.904 12.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 151 118.507 4.184 10.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 151 119.335 4.901 11.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 151 119.919 5.081 10.331 1.00 0.00 H new ATOM 663 N THR A 152 124.341 2.083 9.743 1.00 0.00 N ATOM 664 CA THR A 152 123.983 0.673 9.617 1.00 0.00 C ATOM 665 C THR A 152 125.212 -0.203 9.749 1.00 0.00 C ATOM 666 O THR A 152 125.155 -1.419 9.563 1.00 0.00 O ATOM 667 CB THR A 152 123.296 0.411 8.276 1.00 0.00 C ATOM 668 OG1 THR A 152 124.109 0.848 7.201 1.00 0.00 O ATOM 669 CG2 THR A 152 121.950 1.094 8.145 1.00 0.00 C ATOM 0 H THR A 152 124.458 2.568 8.853 1.00 0.00 H new ATOM 0 HA THR A 152 123.289 0.426 10.421 1.00 0.00 H new ATOM 0 HB THR A 152 123.140 -0.667 8.239 1.00 0.00 H new ATOM 0 HG1 THR A 152 124.009 1.816 7.088 1.00 0.00 H new ATOM 0 HG21 THR A 152 121.519 0.865 7.170 1.00 0.00 H new ATOM 0 HG22 THR A 152 121.283 0.737 8.929 1.00 0.00 H new ATOM 0 HG23 THR A 152 122.078 2.172 8.241 1.00 0.00 H new ATOM 677 N ALA A 153 126.330 0.436 10.038 1.00 0.00 N ATOM 678 CA ALA A 153 127.596 -0.253 10.162 1.00 0.00 C ATOM 679 C ALA A 153 127.561 -1.423 11.154 1.00 0.00 C ATOM 680 O ALA A 153 128.305 -2.389 10.987 1.00 0.00 O ATOM 681 CB ALA A 153 128.685 0.732 10.558 1.00 0.00 C ATOM 0 H ALA A 153 126.384 1.443 10.192 1.00 0.00 H new ATOM 0 HA ALA A 153 127.813 -0.683 9.184 1.00 0.00 H new ATOM 0 HB1 ALA A 153 129.635 0.206 10.650 1.00 0.00 H new ATOM 0 HB2 ALA A 153 128.770 1.506 9.795 1.00 0.00 H new ATOM 0 HB3 ALA A 153 128.431 1.191 11.513 1.00 0.00 H new ATOM 687 N SER A 154 126.743 -1.326 12.209 1.00 0.00 N ATOM 688 CA SER A 154 126.695 -2.383 13.232 1.00 0.00 C ATOM 689 C SER A 154 125.360 -3.135 13.297 1.00 0.00 C ATOM 690 O SER A 154 125.116 -3.869 14.255 1.00 0.00 O ATOM 691 CB SER A 154 127.006 -1.786 14.605 1.00 0.00 C ATOM 692 OG SER A 154 126.968 -2.781 15.615 1.00 0.00 O ATOM 0 H SER A 154 126.114 -0.541 12.378 1.00 0.00 H new ATOM 0 HA SER A 154 127.447 -3.116 12.941 1.00 0.00 H new ATOM 0 HB2 SER A 154 127.991 -1.319 14.587 1.00 0.00 H new ATOM 0 HB3 SER A 154 126.285 -1.002 14.836 1.00 0.00 H new ATOM 0 HG SER A 154 126.136 -3.293 15.539 1.00 0.00 H new ATOM 698 N TYR A 155 124.503 -2.980 12.294 1.00 0.00 N ATOM 699 CA TYR A 155 123.217 -3.685 12.293 1.00 0.00 C ATOM 700 C TYR A 155 123.388 -5.199 12.314 1.00 0.00 C ATOM 701 O TYR A 155 124.217 -5.762 11.599 1.00 0.00 O ATOM 702 CB TYR A 155 122.364 -3.277 11.094 1.00 0.00 C ATOM 703 CG TYR A 155 121.444 -2.110 11.387 1.00 0.00 C ATOM 704 CD1 TYR A 155 121.923 -0.954 11.986 1.00 0.00 C ATOM 705 CD2 TYR A 155 120.091 -2.172 11.069 1.00 0.00 C ATOM 706 CE1 TYR A 155 121.081 0.107 12.264 1.00 0.00 C ATOM 707 CE2 TYR A 155 119.245 -1.116 11.341 1.00 0.00 C ATOM 708 CZ TYR A 155 119.743 0.020 11.939 1.00 0.00 C ATOM 709 OH TYR A 155 118.900 1.071 12.217 1.00 0.00 O ATOM 0 H TYR A 155 124.666 -2.384 11.482 1.00 0.00 H new ATOM 0 HA TYR A 155 122.705 -3.393 13.210 1.00 0.00 H new ATOM 0 HB2 TYR A 155 123.019 -3.016 10.263 1.00 0.00 H new ATOM 0 HB3 TYR A 155 121.767 -4.131 10.774 1.00 0.00 H new ATOM 0 HD1 TYR A 155 122.970 -0.882 12.239 1.00 0.00 H new ATOM 0 HD2 TYR A 155 119.696 -3.062 10.601 1.00 0.00 H new ATOM 0 HE1 TYR A 155 121.469 0.999 12.733 1.00 0.00 H new ATOM 0 HE2 TYR A 155 118.197 -1.180 11.086 1.00 0.00 H new ATOM 0 HH TYR A 155 118.351 1.267 11.429 1.00 0.00 H new ATOM 719 N THR A 156 122.587 -5.837 13.155 1.00 0.00 N ATOM 720 CA THR A 156 122.598 -7.287 13.326 1.00 0.00 C ATOM 721 C THR A 156 121.322 -7.919 12.787 1.00 0.00 C ATOM 722 O THR A 156 120.470 -7.242 12.211 1.00 0.00 O ATOM 723 CB THR A 156 122.746 -7.637 14.807 1.00 0.00 C ATOM 724 OG1 THR A 156 121.915 -6.812 15.602 1.00 0.00 O ATOM 725 CG2 THR A 156 124.163 -7.496 15.319 1.00 0.00 C ATOM 0 H THR A 156 121.904 -5.361 13.744 1.00 0.00 H new ATOM 0 HA THR A 156 123.444 -7.682 12.764 1.00 0.00 H new ATOM 0 HB THR A 156 122.454 -8.684 14.886 1.00 0.00 H new ATOM 0 HG1 THR A 156 122.022 -7.052 16.546 1.00 0.00 H new ATOM 0 HG21 THR A 156 124.196 -7.760 16.376 1.00 0.00 H new ATOM 0 HG22 THR A 156 124.820 -8.161 14.759 1.00 0.00 H new ATOM 0 HG23 THR A 156 124.495 -6.466 15.192 1.00 0.00 H new ATOM 733 N LYS A 157 121.203 -9.226 12.985 1.00 0.00 N ATOM 734 CA LYS A 157 120.038 -9.971 12.528 1.00 0.00 C ATOM 735 C LYS A 157 118.764 -9.465 13.183 1.00 0.00 C ATOM 736 O LYS A 157 117.721 -9.394 12.542 1.00 0.00 O ATOM 737 CB LYS A 157 120.206 -11.452 12.838 1.00 0.00 C ATOM 738 CG LYS A 157 121.336 -12.114 12.082 1.00 0.00 C ATOM 739 CD LYS A 157 120.903 -12.560 10.693 1.00 0.00 C ATOM 740 CE LYS A 157 119.943 -13.742 10.751 1.00 0.00 C ATOM 741 NZ LYS A 157 120.428 -14.804 11.675 1.00 0.00 N ATOM 0 H LYS A 157 121.903 -9.794 13.462 1.00 0.00 H new ATOM 0 HA LYS A 157 119.957 -9.825 11.451 1.00 0.00 H new ATOM 0 HB2 LYS A 157 120.379 -11.572 13.908 1.00 0.00 H new ATOM 0 HB3 LYS A 157 119.275 -11.969 12.606 1.00 0.00 H new ATOM 0 HG2 LYS A 157 122.172 -11.420 11.996 1.00 0.00 H new ATOM 0 HG3 LYS A 157 121.694 -12.976 12.645 1.00 0.00 H new ATOM 0 HD2 LYS A 157 120.424 -11.728 10.177 1.00 0.00 H new ATOM 0 HD3 LYS A 157 121.782 -12.834 10.109 1.00 0.00 H new ATOM 0 HE2 LYS A 157 118.962 -13.397 11.077 1.00 0.00 H new ATOM 0 HE3 LYS A 157 119.819 -14.159 9.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 120.066 -15.728 11.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 121.468 -14.820 11.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 120.089 -14.607 12.638 1.00 0.00 H new ATOM 755 N GLU A 158 118.840 -9.123 14.453 1.00 0.00 N ATOM 756 CA GLU A 158 117.671 -8.633 15.163 1.00 0.00 C ATOM 757 C GLU A 158 117.123 -7.385 14.499 1.00 0.00 C ATOM 758 O GLU A 158 115.938 -7.305 14.176 1.00 0.00 O ATOM 759 CB GLU A 158 118.052 -8.326 16.593 1.00 0.00 C ATOM 760 CG GLU A 158 119.264 -7.415 16.704 1.00 0.00 C ATOM 761 CD GLU A 158 118.899 -5.944 16.661 1.00 0.00 C ATOM 762 OE1 GLU A 158 117.694 -5.637 16.554 1.00 0.00 O ATOM 763 OE2 GLU A 158 119.818 -5.102 16.737 1.00 0.00 O ATOM 0 H GLU A 158 119.691 -9.174 15.013 1.00 0.00 H new ATOM 0 HA GLU A 158 116.897 -9.400 15.141 1.00 0.00 H new ATOM 0 HB2 GLU A 158 117.206 -7.858 17.096 1.00 0.00 H new ATOM 0 HB3 GLU A 158 118.257 -9.260 17.117 1.00 0.00 H new ATOM 0 HG2 GLU A 158 119.788 -7.627 17.636 1.00 0.00 H new ATOM 0 HG3 GLU A 158 119.955 -7.637 15.891 1.00 0.00 H new ATOM 770 N ASP A 159 117.998 -6.426 14.279 1.00 0.00 N ATOM 771 CA ASP A 159 117.609 -5.185 13.625 1.00 0.00 C ATOM 772 C ASP A 159 117.050 -5.489 12.240 1.00 0.00 C ATOM 773 O ASP A 159 116.119 -4.836 11.764 1.00 0.00 O ATOM 774 CB ASP A 159 118.811 -4.245 13.514 1.00 0.00 C ATOM 775 CG ASP A 159 119.103 -3.506 14.805 1.00 0.00 C ATOM 776 OD1 ASP A 159 118.284 -3.600 15.742 1.00 0.00 O ATOM 777 OD2 ASP A 159 120.141 -2.815 14.872 1.00 0.00 O ATOM 0 H ASP A 159 118.982 -6.478 14.541 1.00 0.00 H new ATOM 0 HA ASP A 159 116.840 -4.694 14.221 1.00 0.00 H new ATOM 0 HB2 ASP A 159 119.690 -4.820 13.224 1.00 0.00 H new ATOM 0 HB3 ASP A 159 118.628 -3.521 12.720 1.00 0.00 H new ATOM 782 N TRP A 160 117.636 -6.491 11.601 1.00 0.00 N ATOM 783 CA TRP A 160 117.212 -6.892 10.259 1.00 0.00 C ATOM 784 C TRP A 160 115.937 -7.727 10.302 1.00 0.00 C ATOM 785 O TRP A 160 114.954 -7.413 9.630 1.00 0.00 O ATOM 786 CB TRP A 160 118.319 -7.672 9.543 1.00 0.00 C ATOM 787 CG TRP A 160 119.542 -6.859 9.228 1.00 0.00 C ATOM 788 CD1 TRP A 160 120.832 -7.168 9.555 1.00 0.00 C ATOM 789 CD2 TRP A 160 119.598 -5.619 8.506 1.00 0.00 C ATOM 790 NE1 TRP A 160 121.685 -6.195 9.092 1.00 0.00 N ATOM 791 CE2 TRP A 160 120.953 -5.232 8.447 1.00 0.00 C ATOM 792 CE3 TRP A 160 118.638 -4.792 7.906 1.00 0.00 C ATOM 793 CZ2 TRP A 160 121.367 -4.062 7.815 1.00 0.00 C ATOM 794 CZ3 TRP A 160 119.054 -3.633 7.280 1.00 0.00 C ATOM 795 CH2 TRP A 160 120.406 -3.276 7.239 1.00 0.00 C ATOM 0 H TRP A 160 118.404 -7.042 11.985 1.00 0.00 H new ATOM 0 HA TRP A 160 117.006 -5.978 9.701 1.00 0.00 H new ATOM 0 HB2 TRP A 160 118.610 -8.520 10.164 1.00 0.00 H new ATOM 0 HB3 TRP A 160 117.919 -8.079 8.615 1.00 0.00 H new ATOM 0 HD1 TRP A 160 121.137 -8.050 10.099 1.00 0.00 H new ATOM 0 HE1 TRP A 160 122.698 -6.190 9.209 1.00 0.00 H new ATOM 0 HE3 TRP A 160 117.591 -5.057 7.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 160 122.410 -3.785 7.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 160 118.322 -2.991 6.814 1.00 0.00 H new ATOM 0 HH2 TRP A 160 120.697 -2.362 6.743 1.00 0.00 H new ATOM 806 N GLN A 161 115.961 -8.787 11.094 1.00 0.00 N ATOM 807 CA GLN A 161 114.810 -9.671 11.227 1.00 0.00 C ATOM 808 C GLN A 161 113.569 -8.887 11.631 1.00 0.00 C ATOM 809 O GLN A 161 112.457 -9.215 11.221 1.00 0.00 O ATOM 810 CB GLN A 161 115.098 -10.763 12.260 1.00 0.00 C ATOM 811 CG GLN A 161 113.942 -11.730 12.462 1.00 0.00 C ATOM 812 CD GLN A 161 114.250 -12.800 13.491 1.00 0.00 C ATOM 813 OE1 GLN A 161 115.192 -13.576 13.334 1.00 0.00 O ATOM 814 NE2 GLN A 161 113.455 -12.845 14.554 1.00 0.00 N ATOM 0 H GLN A 161 116.767 -9.058 11.657 1.00 0.00 H new ATOM 0 HA GLN A 161 114.624 -10.136 10.259 1.00 0.00 H new ATOM 0 HB2 GLN A 161 115.979 -11.323 11.948 1.00 0.00 H new ATOM 0 HB3 GLN A 161 115.340 -10.294 13.214 1.00 0.00 H new ATOM 0 HG2 GLN A 161 113.058 -11.174 12.775 1.00 0.00 H new ATOM 0 HG3 GLN A 161 113.700 -12.205 11.511 1.00 0.00 H new ATOM 0 HE21 GLN A 161 112.685 -12.182 14.644 1.00 0.00 H new ATOM 0 HE22 GLN A 161 113.614 -13.543 15.281 1.00 0.00 H new ATOM 823 N ARG A 162 113.768 -7.851 12.439 1.00 0.00 N ATOM 824 CA ARG A 162 112.669 -7.017 12.904 1.00 0.00 C ATOM 825 C ARG A 162 112.096 -6.179 11.764 1.00 0.00 C ATOM 826 O ARG A 162 110.888 -5.956 11.693 1.00 0.00 O ATOM 827 CB ARG A 162 113.153 -6.109 14.034 1.00 0.00 C ATOM 828 CG ARG A 162 112.107 -5.129 14.537 1.00 0.00 C ATOM 829 CD ARG A 162 110.893 -5.840 15.116 1.00 0.00 C ATOM 830 NE ARG A 162 109.939 -4.905 15.707 1.00 0.00 N ATOM 831 CZ ARG A 162 110.207 -4.142 16.762 1.00 0.00 C ATOM 832 NH1 ARG A 162 111.391 -4.217 17.355 1.00 0.00 N ATOM 833 NH2 ARG A 162 109.290 -3.308 17.229 1.00 0.00 N ATOM 0 H ARG A 162 114.685 -7.569 12.786 1.00 0.00 H new ATOM 0 HA ARG A 162 111.876 -7.666 13.276 1.00 0.00 H new ATOM 0 HB2 ARG A 162 113.484 -6.729 14.867 1.00 0.00 H new ATOM 0 HB3 ARG A 162 114.022 -5.550 13.688 1.00 0.00 H new ATOM 0 HG2 ARG A 162 112.549 -4.486 15.299 1.00 0.00 H new ATOM 0 HG3 ARG A 162 111.792 -4.482 13.718 1.00 0.00 H new ATOM 0 HD2 ARG A 162 110.400 -6.412 14.330 1.00 0.00 H new ATOM 0 HD3 ARG A 162 111.218 -6.553 15.874 1.00 0.00 H new ATOM 0 HE ARG A 162 109.013 -4.833 15.285 1.00 0.00 H new ATOM 0 HH11 ARG A 162 112.098 -4.861 17.002 1.00 0.00 H new ATOM 0 HH12 ARG A 162 111.594 -3.630 18.164 1.00 0.00 H new ATOM 0 HH21 ARG A 162 108.376 -3.251 16.779 1.00 0.00 H new ATOM 0 HH22 ARG A 162 109.497 -2.723 18.039 1.00 0.00 H new ATOM 847 N ILE A 163 112.967 -5.711 10.874 1.00 0.00 N ATOM 848 CA ILE A 163 112.529 -4.898 9.744 1.00 0.00 C ATOM 849 C ILE A 163 111.828 -5.744 8.681 1.00 0.00 C ATOM 850 O ILE A 163 110.919 -5.265 8.003 1.00 0.00 O ATOM 851 CB ILE A 163 113.708 -4.122 9.104 1.00 0.00 C ATOM 852 CG1 ILE A 163 113.912 -2.769 9.800 1.00 0.00 C ATOM 853 CG2 ILE A 163 113.485 -3.913 7.610 1.00 0.00 C ATOM 854 CD1 ILE A 163 114.276 -2.864 11.266 1.00 0.00 C ATOM 0 H ILE A 163 113.972 -5.879 10.913 1.00 0.00 H new ATOM 0 HA ILE A 163 111.815 -4.175 10.140 1.00 0.00 H new ATOM 0 HB ILE A 163 114.607 -4.723 9.236 1.00 0.00 H new ATOM 0 HG12 ILE A 163 114.697 -2.222 9.279 1.00 0.00 H new ATOM 0 HG13 ILE A 163 112.998 -2.184 9.703 1.00 0.00 H new ATOM 0 HG21 ILE A 163 114.329 -3.366 7.189 1.00 0.00 H new ATOM 0 HG22 ILE A 163 113.398 -4.881 7.116 1.00 0.00 H new ATOM 0 HG23 ILE A 163 112.569 -3.343 7.455 1.00 0.00 H new ATOM 0 HD11 ILE A 163 114.401 -1.862 11.676 1.00 0.00 H new ATOM 0 HD12 ILE A 163 113.482 -3.380 11.805 1.00 0.00 H new ATOM 0 HD13 ILE A 163 115.208 -3.419 11.374 1.00 0.00 H new ATOM 866 N GLN A 164 112.254 -6.997 8.527 1.00 0.00 N ATOM 867 CA GLN A 164 111.649 -7.877 7.529 1.00 0.00 C ATOM 868 C GLN A 164 110.211 -8.216 7.908 1.00 0.00 C ATOM 869 O GLN A 164 109.289 -7.977 7.128 1.00 0.00 O ATOM 870 CB GLN A 164 112.478 -9.150 7.345 1.00 0.00 C ATOM 871 CG GLN A 164 113.882 -8.891 6.825 1.00 0.00 C ATOM 872 CD GLN A 164 113.886 -8.219 5.465 1.00 0.00 C ATOM 873 OE1 GLN A 164 113.361 -8.761 4.492 1.00 0.00 O ATOM 874 NE2 GLN A 164 114.478 -7.033 5.391 1.00 0.00 N ATOM 0 H GLN A 164 113.005 -7.421 9.072 1.00 0.00 H new ATOM 0 HA GLN A 164 111.634 -7.346 6.577 1.00 0.00 H new ATOM 0 HB2 GLN A 164 112.544 -9.672 8.300 1.00 0.00 H new ATOM 0 HB3 GLN A 164 111.960 -9.814 6.653 1.00 0.00 H new ATOM 0 HG2 GLN A 164 114.419 -8.265 7.537 1.00 0.00 H new ATOM 0 HG3 GLN A 164 114.422 -9.836 6.761 1.00 0.00 H new ATOM 0 HE21 GLN A 164 114.900 -6.621 6.223 1.00 0.00 H new ATOM 0 HE22 GLN A 164 114.510 -6.534 4.502 1.00 0.00 H new ATOM 883 N ASP A 165 110.010 -8.746 9.110 1.00 0.00 N ATOM 884 CA ASP A 165 108.664 -9.073 9.568 1.00 0.00 C ATOM 885 C ASP A 165 107.794 -7.825 9.485 1.00 0.00 C ATOM 886 O ASP A 165 106.588 -7.894 9.244 1.00 0.00 O ATOM 887 CB ASP A 165 108.702 -9.597 11.004 1.00 0.00 C ATOM 888 CG ASP A 165 109.314 -8.599 11.960 1.00 0.00 C ATOM 889 OD1 ASP A 165 110.468 -8.197 11.728 1.00 0.00 O ATOM 890 OD2 ASP A 165 108.638 -8.221 12.940 1.00 0.00 O ATOM 0 H ASP A 165 110.752 -8.956 9.778 1.00 0.00 H new ATOM 0 HA ASP A 165 108.245 -9.853 8.933 1.00 0.00 H new ATOM 0 HB2 ASP A 165 107.689 -9.835 11.329 1.00 0.00 H new ATOM 0 HB3 ASP A 165 109.273 -10.525 11.035 1.00 0.00 H new ATOM 895 N GLU A 166 108.444 -6.682 9.670 1.00 0.00 N ATOM 896 CA GLU A 166 107.775 -5.390 9.607 1.00 0.00 C ATOM 897 C GLU A 166 107.426 -5.061 8.160 1.00 0.00 C ATOM 898 O GLU A 166 106.327 -4.590 7.866 1.00 0.00 O ATOM 899 CB GLU A 166 108.674 -4.303 10.209 1.00 0.00 C ATOM 900 CG GLU A 166 108.015 -2.932 10.332 1.00 0.00 C ATOM 901 CD GLU A 166 108.020 -2.143 9.035 1.00 0.00 C ATOM 902 OE1 GLU A 166 107.352 -2.568 8.072 1.00 0.00 O ATOM 903 OE2 GLU A 166 108.696 -1.094 8.984 1.00 0.00 O ATOM 0 H GLU A 166 109.443 -6.625 9.867 1.00 0.00 H new ATOM 0 HA GLU A 166 106.853 -5.432 10.187 1.00 0.00 H new ATOM 0 HB2 GLU A 166 109.000 -4.625 11.198 1.00 0.00 H new ATOM 0 HB3 GLU A 166 109.569 -4.208 9.594 1.00 0.00 H new ATOM 0 HG2 GLU A 166 106.986 -3.060 10.667 1.00 0.00 H new ATOM 0 HG3 GLU A 166 108.531 -2.357 11.101 1.00 0.00 H new ATOM 910 N ALA A 167 108.367 -5.328 7.260 1.00 0.00 N ATOM 911 CA ALA A 167 108.164 -5.073 5.839 1.00 0.00 C ATOM 912 C ALA A 167 107.068 -5.970 5.274 1.00 0.00 C ATOM 913 O ALA A 167 106.236 -5.524 4.486 1.00 0.00 O ATOM 914 CB ALA A 167 109.464 -5.278 5.075 1.00 0.00 C ATOM 0 H ALA A 167 109.279 -5.722 7.491 1.00 0.00 H new ATOM 0 HA ALA A 167 107.847 -4.037 5.721 1.00 0.00 H new ATOM 0 HB1 ALA A 167 109.298 -5.084 4.015 1.00 0.00 H new ATOM 0 HB2 ALA A 167 110.221 -4.592 5.455 1.00 0.00 H new ATOM 0 HB3 ALA A 167 109.805 -6.305 5.207 1.00 0.00 H new ATOM 920 N ASP A 168 107.066 -7.235 5.683 1.00 0.00 N ATOM 921 CA ASP A 168 106.058 -8.176 5.211 1.00 0.00 C ATOM 922 C ASP A 168 104.667 -7.627 5.492 1.00 0.00 C ATOM 923 O ASP A 168 103.770 -7.704 4.653 1.00 0.00 O ATOM 924 CB ASP A 168 106.232 -9.538 5.886 1.00 0.00 C ATOM 925 CG ASP A 168 105.338 -10.602 5.281 1.00 0.00 C ATOM 926 OD1 ASP A 168 104.606 -10.286 4.319 1.00 0.00 O ATOM 927 OD2 ASP A 168 105.372 -11.753 5.766 1.00 0.00 O ATOM 0 H ASP A 168 107.745 -7.629 6.334 1.00 0.00 H new ATOM 0 HA ASP A 168 106.181 -8.308 4.136 1.00 0.00 H new ATOM 0 HB2 ASP A 168 107.273 -9.851 5.802 1.00 0.00 H new ATOM 0 HB3 ASP A 168 106.012 -9.444 6.949 1.00 0.00 H new ATOM 932 N GLU A 169 104.499 -7.056 6.678 1.00 0.00 N ATOM 933 CA GLU A 169 103.224 -6.475 7.064 1.00 0.00 C ATOM 934 C GLU A 169 102.818 -5.395 6.071 1.00 0.00 C ATOM 935 O GLU A 169 101.645 -5.264 5.718 1.00 0.00 O ATOM 936 CB GLU A 169 103.312 -5.881 8.470 1.00 0.00 C ATOM 937 CG GLU A 169 102.058 -5.130 8.884 1.00 0.00 C ATOM 938 CD GLU A 169 102.147 -4.578 10.293 1.00 0.00 C ATOM 939 OE1 GLU A 169 103.192 -4.783 10.946 1.00 0.00 O ATOM 940 OE2 GLU A 169 101.173 -3.940 10.743 1.00 0.00 O ATOM 0 H GLU A 169 105.229 -6.984 7.386 1.00 0.00 H new ATOM 0 HA GLU A 169 102.470 -7.263 7.062 1.00 0.00 H new ATOM 0 HB2 GLU A 169 103.500 -6.682 9.185 1.00 0.00 H new ATOM 0 HB3 GLU A 169 104.165 -5.204 8.518 1.00 0.00 H new ATOM 0 HG2 GLU A 169 101.883 -4.310 8.187 1.00 0.00 H new ATOM 0 HG3 GLU A 169 101.199 -5.797 8.813 1.00 0.00 H new ATOM 947 N LEU A 170 103.802 -4.620 5.631 1.00 0.00 N ATOM 948 CA LEU A 170 103.582 -3.545 4.692 1.00 0.00 C ATOM 949 C LEU A 170 102.847 -4.041 3.449 1.00 0.00 C ATOM 950 O LEU A 170 101.927 -3.389 2.960 1.00 0.00 O ATOM 951 CB LEU A 170 104.941 -2.953 4.321 1.00 0.00 C ATOM 952 CG LEU A 170 104.903 -1.549 3.741 1.00 0.00 C ATOM 953 CD1 LEU A 170 106.249 -0.871 3.921 1.00 0.00 C ATOM 954 CD2 LEU A 170 104.524 -1.584 2.270 1.00 0.00 C ATOM 0 H LEU A 170 104.774 -4.726 5.920 1.00 0.00 H new ATOM 0 HA LEU A 170 102.953 -2.780 5.148 1.00 0.00 H new ATOM 0 HB2 LEU A 170 105.570 -2.943 5.211 1.00 0.00 H new ATOM 0 HB3 LEU A 170 105.421 -3.613 3.599 1.00 0.00 H new ATOM 0 HG LEU A 170 104.145 -0.977 4.276 1.00 0.00 H new ATOM 0 HD11 LEU A 170 106.209 0.134 3.501 1.00 0.00 H new ATOM 0 HD12 LEU A 170 106.487 -0.812 4.983 1.00 0.00 H new ATOM 0 HD13 LEU A 170 107.018 -1.448 3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 170 104.503 -0.568 1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 170 105.258 -2.172 1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 170 103.539 -2.037 2.159 1.00 0.00 H new ATOM 966 N THR A 171 103.254 -5.194 2.942 1.00 0.00 N ATOM 967 CA THR A 171 102.626 -5.763 1.753 1.00 0.00 C ATOM 968 C THR A 171 101.154 -6.053 1.976 1.00 0.00 C ATOM 969 O THR A 171 100.315 -5.667 1.168 1.00 0.00 O ATOM 970 CB THR A 171 103.341 -7.039 1.314 1.00 0.00 C ATOM 971 OG1 THR A 171 103.874 -7.730 2.426 1.00 0.00 O ATOM 972 CG2 THR A 171 104.459 -6.796 0.336 1.00 0.00 C ATOM 0 H THR A 171 104.013 -5.754 3.331 1.00 0.00 H new ATOM 0 HA THR A 171 102.711 -5.016 0.963 1.00 0.00 H new ATOM 0 HB THR A 171 102.576 -7.635 0.816 1.00 0.00 H new ATOM 0 HG1 THR A 171 103.334 -7.536 3.221 1.00 0.00 H new ATOM 0 HG21 THR A 171 104.921 -7.746 0.068 1.00 0.00 H new ATOM 0 HG22 THR A 171 104.061 -6.321 -0.561 1.00 0.00 H new ATOM 0 HG23 THR A 171 105.205 -6.145 0.791 1.00 0.00 H new ATOM 980 N ARG A 172 100.830 -6.746 3.043 1.00 0.00 N ATOM 981 CA ARG A 172 99.457 -7.084 3.287 1.00 0.00 C ATOM 982 C ARG A 172 98.559 -5.867 3.173 1.00 0.00 C ATOM 983 O ARG A 172 97.548 -5.904 2.478 1.00 0.00 O ATOM 984 CB ARG A 172 99.283 -7.666 4.678 1.00 0.00 C ATOM 985 CG ARG A 172 100.451 -8.495 5.160 1.00 0.00 C ATOM 986 CD ARG A 172 100.747 -9.666 4.232 1.00 0.00 C ATOM 987 NE ARG A 172 101.290 -10.816 4.953 1.00 0.00 N ATOM 988 CZ ARG A 172 102.351 -10.759 5.753 1.00 0.00 C ATOM 989 NH1 ARG A 172 102.976 -9.608 5.953 1.00 0.00 N ATOM 990 NH2 ARG A 172 102.785 -11.856 6.358 1.00 0.00 N ATOM 0 H ARG A 172 101.491 -7.080 3.744 1.00 0.00 H new ATOM 0 HA ARG A 172 99.176 -7.819 2.533 1.00 0.00 H new ATOM 0 HB2 ARG A 172 99.118 -6.850 5.382 1.00 0.00 H new ATOM 0 HB3 ARG A 172 98.385 -8.284 4.690 1.00 0.00 H new ATOM 0 HG2 ARG A 172 101.335 -7.863 5.238 1.00 0.00 H new ATOM 0 HG3 ARG A 172 100.239 -8.871 6.161 1.00 0.00 H new ATOM 0 HD2 ARG A 172 99.832 -9.960 3.717 1.00 0.00 H new ATOM 0 HD3 ARG A 172 101.456 -9.351 3.466 1.00 0.00 H new ATOM 0 HE ARG A 172 100.827 -11.717 4.835 1.00 0.00 H new ATOM 0 HH11 ARG A 172 102.644 -8.761 5.493 1.00 0.00 H new ATOM 0 HH12 ARG A 172 103.789 -9.569 6.567 1.00 0.00 H new ATOM 0 HH21 ARG A 172 102.305 -12.744 6.210 1.00 0.00 H new ATOM 0 HH22 ARG A 172 103.599 -11.812 6.971 1.00 0.00 H new ATOM 1004 N ARG A 173 98.903 -4.800 3.885 1.00 0.00 N ATOM 1005 CA ARG A 173 98.070 -3.613 3.868 1.00 0.00 C ATOM 1006 C ARG A 173 98.032 -2.950 2.491 1.00 0.00 C ATOM 1007 O ARG A 173 96.954 -2.778 1.934 1.00 0.00 O ATOM 1008 CB ARG A 173 98.515 -2.617 4.935 1.00 0.00 C ATOM 1009 CG ARG A 173 99.967 -2.204 4.837 1.00 0.00 C ATOM 1010 CD ARG A 173 100.377 -1.327 6.009 1.00 0.00 C ATOM 1011 NE ARG A 173 101.769 -0.900 5.914 1.00 0.00 N ATOM 1012 CZ ARG A 173 102.383 -0.175 6.841 1.00 0.00 C ATOM 1013 NH1 ARG A 173 101.728 0.209 7.929 1.00 0.00 N ATOM 1014 NH2 ARG A 173 103.655 0.168 6.683 1.00 0.00 N ATOM 0 H ARG A 173 99.737 -4.736 4.469 1.00 0.00 H new ATOM 0 HA ARG A 173 97.055 -3.936 4.097 1.00 0.00 H new ATOM 0 HB2 ARG A 173 97.891 -1.726 4.866 1.00 0.00 H new ATOM 0 HB3 ARG A 173 98.340 -3.054 5.918 1.00 0.00 H new ATOM 0 HG2 ARG A 173 100.598 -3.092 4.808 1.00 0.00 H new ATOM 0 HG3 ARG A 173 100.131 -1.666 3.903 1.00 0.00 H new ATOM 0 HD2 ARG A 173 99.731 -0.450 6.048 1.00 0.00 H new ATOM 0 HD3 ARG A 173 100.229 -1.874 6.940 1.00 0.00 H new ATOM 0 HE ARG A 173 102.301 -1.174 5.088 1.00 0.00 H new ATOM 0 HH11 ARG A 173 100.750 -0.053 8.055 1.00 0.00 H new ATOM 0 HH12 ARG A 173 102.202 0.766 8.640 1.00 0.00 H new ATOM 0 HH21 ARG A 173 104.162 -0.125 5.848 1.00 0.00 H new ATOM 0 HH22 ARG A 173 104.125 0.725 7.396 1.00 0.00 H new ATOM 1028 N PHE A 174 99.196 -2.612 1.921 1.00 0.00 N ATOM 1029 CA PHE A 174 99.229 -1.996 0.586 1.00 0.00 C ATOM 1030 C PHE A 174 98.487 -2.863 -0.401 1.00 0.00 C ATOM 1031 O PHE A 174 97.609 -2.400 -1.126 1.00 0.00 O ATOM 1032 CB PHE A 174 100.661 -1.817 0.063 1.00 0.00 C ATOM 1033 CG PHE A 174 101.383 -0.611 0.609 1.00 0.00 C ATOM 1034 CD1 PHE A 174 101.641 -0.488 1.961 1.00 0.00 C ATOM 1035 CD2 PHE A 174 101.799 0.405 -0.240 1.00 0.00 C ATOM 1036 CE1 PHE A 174 102.299 0.620 2.460 1.00 0.00 C ATOM 1037 CE2 PHE A 174 102.458 1.514 0.251 1.00 0.00 C ATOM 1038 CZ PHE A 174 102.708 1.622 1.603 1.00 0.00 C ATOM 0 H PHE A 174 100.110 -2.750 2.352 1.00 0.00 H new ATOM 0 HA PHE A 174 98.761 -1.016 0.683 1.00 0.00 H new ATOM 0 HB2 PHE A 174 101.237 -2.710 0.307 1.00 0.00 H new ATOM 0 HB3 PHE A 174 100.630 -1.744 -1.024 1.00 0.00 H new ATOM 0 HD1 PHE A 174 101.324 -1.268 2.637 1.00 0.00 H new ATOM 0 HD2 PHE A 174 101.604 0.327 -1.299 1.00 0.00 H new ATOM 0 HE1 PHE A 174 102.493 0.702 3.519 1.00 0.00 H new ATOM 0 HE2 PHE A 174 102.777 2.296 -0.422 1.00 0.00 H new ATOM 0 HZ PHE A 174 103.223 2.489 1.991 1.00 0.00 H new ATOM 1048 N VAL A 175 98.865 -4.121 -0.429 1.00 0.00 N ATOM 1049 CA VAL A 175 98.263 -5.071 -1.336 1.00 0.00 C ATOM 1050 C VAL A 175 96.766 -5.205 -1.052 1.00 0.00 C ATOM 1051 O VAL A 175 95.943 -5.182 -1.965 1.00 0.00 O ATOM 1052 CB VAL A 175 98.960 -6.440 -1.232 1.00 0.00 C ATOM 1053 CG1 VAL A 175 98.500 -7.337 -2.352 1.00 0.00 C ATOM 1054 CG2 VAL A 175 100.484 -6.294 -1.277 1.00 0.00 C ATOM 0 H VAL A 175 99.592 -4.512 0.171 1.00 0.00 H new ATOM 0 HA VAL A 175 98.389 -4.702 -2.354 1.00 0.00 H new ATOM 0 HB VAL A 175 98.690 -6.884 -0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 175 98.997 -8.304 -2.272 1.00 0.00 H new ATOM 0 HG12 VAL A 175 97.421 -7.478 -2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 175 98.748 -6.880 -3.310 1.00 0.00 H new ATOM 0 HG21 VAL A 175 100.946 -7.278 -1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 175 100.777 -5.827 -2.217 1.00 0.00 H new ATOM 0 HG23 VAL A 175 100.815 -5.673 -0.445 1.00 0.00 H new ATOM 1064 N ALA A 176 96.429 -5.338 0.225 1.00 0.00 N ATOM 1065 CA ALA A 176 95.039 -5.468 0.656 1.00 0.00 C ATOM 1066 C ALA A 176 94.187 -4.303 0.137 1.00 0.00 C ATOM 1067 O ALA A 176 93.021 -4.481 -0.216 1.00 0.00 O ATOM 1068 CB ALA A 176 94.977 -5.551 2.177 1.00 0.00 C ATOM 0 H ALA A 176 97.105 -5.359 0.988 1.00 0.00 H new ATOM 0 HA ALA A 176 94.628 -6.386 0.235 1.00 0.00 H new ATOM 0 HB1 ALA A 176 93.939 -5.648 2.494 1.00 0.00 H new ATOM 0 HB2 ALA A 176 95.543 -6.418 2.517 1.00 0.00 H new ATOM 0 HB3 ALA A 176 95.405 -4.646 2.609 1.00 0.00 H new ATOM 1074 N LEU A 177 94.793 -3.120 0.069 1.00 0.00 N ATOM 1075 CA LEU A 177 94.115 -1.922 -0.438 1.00 0.00 C ATOM 1076 C LEU A 177 93.799 -2.091 -1.912 1.00 0.00 C ATOM 1077 O LEU A 177 92.730 -1.704 -2.384 1.00 0.00 O ATOM 1078 CB LEU A 177 95.003 -0.686 -0.271 1.00 0.00 C ATOM 1079 CG LEU A 177 95.783 -0.632 1.026 1.00 0.00 C ATOM 1080 CD1 LEU A 177 96.519 0.693 1.158 1.00 0.00 C ATOM 1081 CD2 LEU A 177 94.868 -0.867 2.218 1.00 0.00 C ATOM 0 H LEU A 177 95.758 -2.962 0.360 1.00 0.00 H new ATOM 0 HA LEU A 177 93.196 -1.789 0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 177 95.706 -0.647 -1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 177 94.378 0.204 -0.340 1.00 0.00 H new ATOM 0 HG LEU A 177 96.525 -1.430 1.010 1.00 0.00 H new ATOM 0 HD11 LEU A 177 97.072 0.710 2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 177 97.213 0.808 0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 177 95.799 1.512 1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 177 95.451 -0.824 3.138 1.00 0.00 H new ATOM 0 HD22 LEU A 177 94.096 -0.098 2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 177 94.401 -1.848 2.130 1.00 0.00 H new ATOM 1093 N MET A 178 94.747 -2.664 -2.632 1.00 0.00 N ATOM 1094 CA MET A 178 94.589 -2.882 -4.065 1.00 0.00 C ATOM 1095 C MET A 178 93.374 -3.757 -4.362 1.00 0.00 C ATOM 1096 O MET A 178 92.576 -3.440 -5.244 1.00 0.00 O ATOM 1097 CB MET A 178 95.853 -3.529 -4.627 1.00 0.00 C ATOM 1098 CG MET A 178 97.105 -2.699 -4.405 1.00 0.00 C ATOM 1099 SD MET A 178 98.611 -3.608 -4.790 1.00 0.00 S ATOM 1100 CE MET A 178 99.853 -2.422 -4.292 1.00 0.00 C ATOM 0 H MET A 178 95.636 -2.988 -2.251 1.00 0.00 H new ATOM 0 HA MET A 178 94.429 -1.916 -4.544 1.00 0.00 H new ATOM 0 HB2 MET A 178 95.988 -4.507 -4.165 1.00 0.00 H new ATOM 0 HB3 MET A 178 95.722 -3.697 -5.696 1.00 0.00 H new ATOM 0 HG2 MET A 178 97.057 -1.803 -5.023 1.00 0.00 H new ATOM 0 HG3 MET A 178 97.139 -2.369 -3.367 1.00 0.00 H new ATOM 0 HE1 MET A 178 100.776 -2.945 -4.042 1.00 0.00 H new ATOM 0 HE2 MET A 178 100.040 -1.726 -5.110 1.00 0.00 H new ATOM 0 HE3 MET A 178 99.501 -1.871 -3.420 1.00 0.00 H new ATOM 1110 N ASP A 179 93.240 -4.860 -3.636 1.00 0.00 N ATOM 1111 CA ASP A 179 92.122 -5.775 -3.843 1.00 0.00 C ATOM 1112 C ASP A 179 90.807 -5.181 -3.348 1.00 0.00 C ATOM 1113 O ASP A 179 89.736 -5.516 -3.852 1.00 0.00 O ATOM 1114 CB ASP A 179 92.386 -7.100 -3.128 1.00 0.00 C ATOM 1115 CG ASP A 179 93.615 -7.811 -3.661 1.00 0.00 C ATOM 1116 OD1 ASP A 179 94.259 -7.271 -4.585 1.00 0.00 O ATOM 1117 OD2 ASP A 179 93.933 -8.907 -3.155 1.00 0.00 O ATOM 0 H ASP A 179 93.888 -5.143 -2.901 1.00 0.00 H new ATOM 0 HA ASP A 179 92.034 -5.947 -4.916 1.00 0.00 H new ATOM 0 HB2 ASP A 179 92.511 -6.915 -2.061 1.00 0.00 H new ATOM 0 HB3 ASP A 179 91.517 -7.749 -3.239 1.00 0.00 H new ATOM 1122 N ALA A 180 90.892 -4.306 -2.352 1.00 0.00 N ATOM 1123 CA ALA A 180 89.702 -3.679 -1.787 1.00 0.00 C ATOM 1124 C ALA A 180 89.158 -2.586 -2.704 1.00 0.00 C ATOM 1125 O ALA A 180 88.121 -1.988 -2.421 1.00 0.00 O ATOM 1126 CB ALA A 180 90.014 -3.112 -0.408 1.00 0.00 C ATOM 0 H ALA A 180 91.769 -4.015 -1.920 1.00 0.00 H new ATOM 0 HA ALA A 180 88.931 -4.443 -1.691 1.00 0.00 H new ATOM 0 HB1 ALA A 180 89.119 -2.646 0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 180 90.341 -3.916 0.251 1.00 0.00 H new ATOM 0 HB3 ALA A 180 90.805 -2.367 -0.491 1.00 0.00 H new ATOM 1132 N GLY A 181 89.864 -2.326 -3.800 1.00 0.00 N ATOM 1133 CA GLY A 181 89.434 -1.301 -4.733 1.00 0.00 C ATOM 1134 C GLY A 181 89.819 0.086 -4.261 1.00 0.00 C ATOM 1135 O GLY A 181 89.333 1.090 -4.781 1.00 0.00 O ATOM 0 H GLY A 181 90.726 -2.807 -4.058 1.00 0.00 H new ATOM 0 HA2 GLY A 181 89.879 -1.489 -5.710 1.00 0.00 H new ATOM 0 HA3 GLY A 181 88.353 -1.355 -4.859 1.00 0.00 H new ATOM 1139 N GLU A 182 90.693 0.128 -3.265 1.00 0.00 N ATOM 1140 CA GLU A 182 91.160 1.383 -2.692 1.00 0.00 C ATOM 1141 C GLU A 182 92.213 2.040 -3.585 1.00 0.00 C ATOM 1142 O GLU A 182 93.315 1.510 -3.716 1.00 0.00 O ATOM 1143 CB GLU A 182 91.791 1.115 -1.327 1.00 0.00 C ATOM 1144 CG GLU A 182 90.859 0.455 -0.326 1.00 0.00 C ATOM 1145 CD GLU A 182 89.706 1.351 0.085 1.00 0.00 C ATOM 1146 OE1 GLU A 182 89.652 2.505 -0.389 1.00 0.00 O ATOM 1147 OE2 GLU A 182 88.860 0.900 0.885 1.00 0.00 O ATOM 0 H GLU A 182 91.097 -0.703 -2.833 1.00 0.00 H new ATOM 0 HA GLU A 182 90.303 2.050 -2.600 1.00 0.00 H new ATOM 0 HB2 GLU A 182 92.667 0.481 -1.463 1.00 0.00 H new ATOM 0 HB3 GLU A 182 92.143 2.059 -0.911 1.00 0.00 H new ATOM 0 HG2 GLU A 182 90.463 -0.464 -0.757 1.00 0.00 H new ATOM 0 HG3 GLU A 182 91.427 0.172 0.560 1.00 0.00 H new ATOM 1154 N PRO A 183 91.930 3.205 -4.202 1.00 0.00 N ATOM 1155 CA PRO A 183 92.924 3.869 -5.041 1.00 0.00 C ATOM 1156 C PRO A 183 94.188 4.162 -4.241 1.00 0.00 C ATOM 1157 O PRO A 183 94.163 4.197 -3.009 1.00 0.00 O ATOM 1158 CB PRO A 183 92.240 5.155 -5.514 1.00 0.00 C ATOM 1159 CG PRO A 183 90.781 4.930 -5.280 1.00 0.00 C ATOM 1160 CD PRO A 183 90.671 3.964 -4.126 1.00 0.00 C ATOM 0 HA PRO A 183 93.241 3.254 -5.883 1.00 0.00 H new ATOM 0 HB2 PRO A 183 92.600 6.020 -4.957 1.00 0.00 H new ATOM 0 HB3 PRO A 183 92.445 5.346 -6.567 1.00 0.00 H new ATOM 0 HG2 PRO A 183 90.277 5.868 -5.049 1.00 0.00 H new ATOM 0 HG3 PRO A 183 90.304 4.523 -6.172 1.00 0.00 H new ATOM 0 HD2 PRO A 183 90.571 4.484 -3.173 1.00 0.00 H new ATOM 0 HD3 PRO A 183 89.802 3.314 -4.227 1.00 0.00 H new ATOM 1168 N ALA A 184 95.299 4.313 -4.946 1.00 0.00 N ATOM 1169 CA ALA A 184 96.588 4.536 -4.301 1.00 0.00 C ATOM 1170 C ALA A 184 96.738 5.924 -3.687 1.00 0.00 C ATOM 1171 O ALA A 184 97.639 6.131 -2.875 1.00 0.00 O ATOM 1172 CB ALA A 184 97.728 4.268 -5.279 1.00 0.00 C ATOM 0 H ALA A 184 95.336 4.285 -5.965 1.00 0.00 H new ATOM 0 HA ALA A 184 96.635 3.829 -3.473 1.00 0.00 H new ATOM 0 HB1 ALA A 184 98.682 4.439 -4.781 1.00 0.00 H new ATOM 0 HB2 ALA A 184 97.678 3.235 -5.622 1.00 0.00 H new ATOM 0 HB3 ALA A 184 97.639 4.939 -6.134 1.00 0.00 H new ATOM 1178 N ASP A 185 95.886 6.883 -4.049 1.00 0.00 N ATOM 1179 CA ASP A 185 96.000 8.228 -3.486 1.00 0.00 C ATOM 1180 C ASP A 185 94.952 8.446 -2.403 1.00 0.00 C ATOM 1181 O ASP A 185 94.708 9.575 -1.976 1.00 0.00 O ATOM 1182 CB ASP A 185 95.848 9.277 -4.589 1.00 0.00 C ATOM 1183 CG ASP A 185 96.079 10.689 -4.086 1.00 0.00 C ATOM 1184 OD1 ASP A 185 96.410 10.849 -2.894 1.00 0.00 O ATOM 1185 OD2 ASP A 185 95.935 11.636 -4.890 1.00 0.00 O ATOM 0 H ASP A 185 95.124 6.758 -4.716 1.00 0.00 H new ATOM 0 HA ASP A 185 96.987 8.331 -3.036 1.00 0.00 H new ATOM 0 HB2 ASP A 185 96.554 9.061 -5.391 1.00 0.00 H new ATOM 0 HB3 ASP A 185 94.848 9.207 -5.017 1.00 0.00 H new ATOM 1190 N SER A 186 94.339 7.357 -1.952 1.00 0.00 N ATOM 1191 CA SER A 186 93.331 7.428 -0.910 1.00 0.00 C ATOM 1192 C SER A 186 94.000 7.636 0.440 1.00 0.00 C ATOM 1193 O SER A 186 95.194 7.393 0.592 1.00 0.00 O ATOM 1194 CB SER A 186 92.491 6.149 -0.890 1.00 0.00 C ATOM 1195 OG SER A 186 91.500 6.204 0.121 1.00 0.00 O ATOM 0 H SER A 186 94.526 6.415 -2.295 1.00 0.00 H new ATOM 0 HA SER A 186 92.671 8.271 -1.116 1.00 0.00 H new ATOM 0 HB2 SER A 186 92.017 6.007 -1.861 1.00 0.00 H new ATOM 0 HB3 SER A 186 93.138 5.288 -0.722 1.00 0.00 H new ATOM 0 HG SER A 186 90.976 5.376 0.111 1.00 0.00 H new ATOM 1201 N GLU A 187 93.232 8.090 1.414 1.00 0.00 N ATOM 1202 CA GLU A 187 93.771 8.331 2.747 1.00 0.00 C ATOM 1203 C GLU A 187 94.557 7.118 3.234 1.00 0.00 C ATOM 1204 O GLU A 187 95.734 7.225 3.576 1.00 0.00 O ATOM 1205 CB GLU A 187 92.647 8.654 3.737 1.00 0.00 C ATOM 1206 CG GLU A 187 91.823 9.875 3.356 1.00 0.00 C ATOM 1207 CD GLU A 187 90.890 9.616 2.189 1.00 0.00 C ATOM 1208 OE1 GLU A 187 90.785 8.448 1.759 1.00 0.00 O ATOM 1209 OE2 GLU A 187 90.252 10.579 1.716 1.00 0.00 O ATOM 0 H GLU A 187 92.239 8.299 1.312 1.00 0.00 H new ATOM 0 HA GLU A 187 94.443 9.188 2.689 1.00 0.00 H new ATOM 0 HB2 GLU A 187 91.986 7.791 3.815 1.00 0.00 H new ATOM 0 HB3 GLU A 187 93.080 8.814 4.724 1.00 0.00 H new ATOM 0 HG2 GLU A 187 91.238 10.196 4.218 1.00 0.00 H new ATOM 0 HG3 GLU A 187 92.494 10.696 3.103 1.00 0.00 H new ATOM 1216 N GLY A 188 93.899 5.966 3.258 1.00 0.00 N ATOM 1217 CA GLY A 188 94.549 4.749 3.705 1.00 0.00 C ATOM 1218 C GLY A 188 95.788 4.408 2.898 1.00 0.00 C ATOM 1219 O GLY A 188 96.798 3.981 3.456 1.00 0.00 O ATOM 0 H GLY A 188 92.925 5.853 2.976 1.00 0.00 H new ATOM 0 HA2 GLY A 188 94.823 4.855 4.755 1.00 0.00 H new ATOM 0 HA3 GLY A 188 93.842 3.922 3.642 1.00 0.00 H new ATOM 1223 N ALA A 189 95.707 4.582 1.584 1.00 0.00 N ATOM 1224 CA ALA A 189 96.830 4.272 0.706 1.00 0.00 C ATOM 1225 C ALA A 189 97.975 5.268 0.876 1.00 0.00 C ATOM 1226 O ALA A 189 99.121 4.870 1.083 1.00 0.00 O ATOM 1227 CB ALA A 189 96.375 4.233 -0.743 1.00 0.00 C ATOM 0 H ALA A 189 94.879 4.935 1.104 1.00 0.00 H new ATOM 0 HA ALA A 189 97.205 3.288 0.988 1.00 0.00 H new ATOM 0 HB1 ALA A 189 97.225 4.001 -1.385 1.00 0.00 H new ATOM 0 HB2 ALA A 189 95.609 3.467 -0.863 1.00 0.00 H new ATOM 0 HB3 ALA A 189 95.965 5.204 -1.022 1.00 0.00 H new ATOM 1233 N MET A 190 97.668 6.558 0.789 1.00 0.00 N ATOM 1234 CA MET A 190 98.700 7.576 0.941 1.00 0.00 C ATOM 1235 C MET A 190 99.330 7.448 2.325 1.00 0.00 C ATOM 1236 O MET A 190 100.550 7.493 2.467 1.00 0.00 O ATOM 1237 CB MET A 190 98.143 8.986 0.717 1.00 0.00 C ATOM 1238 CG MET A 190 97.527 9.612 1.952 1.00 0.00 C ATOM 1239 SD MET A 190 96.836 11.248 1.636 1.00 0.00 S ATOM 1240 CE MET A 190 95.628 10.873 0.370 1.00 0.00 C ATOM 0 H MET A 190 96.730 6.919 0.617 1.00 0.00 H new ATOM 0 HA MET A 190 99.464 7.416 0.180 1.00 0.00 H new ATOM 0 HB2 MET A 190 98.946 9.630 0.359 1.00 0.00 H new ATOM 0 HB3 MET A 190 97.391 8.947 -0.071 1.00 0.00 H new ATOM 0 HG2 MET A 190 96.742 8.958 2.332 1.00 0.00 H new ATOM 0 HG3 MET A 190 98.285 9.687 2.732 1.00 0.00 H new ATOM 0 HE1 MET A 190 95.959 11.286 -0.583 1.00 0.00 H new ATOM 0 HE2 MET A 190 95.520 9.792 0.279 1.00 0.00 H new ATOM 0 HE3 MET A 190 94.668 11.312 0.642 1.00 0.00 H new ATOM 1250 N ASP A 191 98.492 7.256 3.345 1.00 0.00 N ATOM 1251 CA ASP A 191 98.994 7.086 4.702 1.00 0.00 C ATOM 1252 C ASP A 191 99.959 5.910 4.721 1.00 0.00 C ATOM 1253 O ASP A 191 101.000 5.950 5.374 1.00 0.00 O ATOM 1254 CB ASP A 191 97.850 6.855 5.694 1.00 0.00 C ATOM 1255 CG ASP A 191 96.990 8.089 5.888 1.00 0.00 C ATOM 1256 OD1 ASP A 191 97.548 9.153 6.229 1.00 0.00 O ATOM 1257 OD2 ASP A 191 95.757 7.991 5.711 1.00 0.00 O ATOM 0 H ASP A 191 97.477 7.215 3.256 1.00 0.00 H new ATOM 0 HA ASP A 191 99.510 7.996 5.008 1.00 0.00 H new ATOM 0 HB2 ASP A 191 97.227 6.034 5.340 1.00 0.00 H new ATOM 0 HB3 ASP A 191 98.263 6.550 6.655 1.00 0.00 H new ATOM 1262 N ALA A 192 99.617 4.881 3.954 1.00 0.00 N ATOM 1263 CA ALA A 192 100.470 3.707 3.834 1.00 0.00 C ATOM 1264 C ALA A 192 101.860 4.153 3.413 1.00 0.00 C ATOM 1265 O ALA A 192 102.861 3.736 3.993 1.00 0.00 O ATOM 1266 CB ALA A 192 99.881 2.724 2.827 1.00 0.00 C ATOM 0 H ALA A 192 98.757 4.837 3.408 1.00 0.00 H new ATOM 0 HA ALA A 192 100.534 3.195 4.794 1.00 0.00 H new ATOM 0 HB1 ALA A 192 100.530 1.852 2.748 1.00 0.00 H new ATOM 0 HB2 ALA A 192 98.891 2.411 3.160 1.00 0.00 H new ATOM 0 HB3 ALA A 192 99.801 3.206 1.853 1.00 0.00 H new ATOM 1272 N ALA A 193 101.915 5.024 2.415 1.00 0.00 N ATOM 1273 CA ALA A 193 103.189 5.541 1.952 1.00 0.00 C ATOM 1274 C ALA A 193 103.906 6.211 3.114 1.00 0.00 C ATOM 1275 O ALA A 193 105.108 6.029 3.298 1.00 0.00 O ATOM 1276 CB ALA A 193 102.992 6.508 0.791 1.00 0.00 C ATOM 0 H ALA A 193 101.100 5.383 1.917 1.00 0.00 H new ATOM 0 HA ALA A 193 103.802 4.718 1.584 1.00 0.00 H new ATOM 0 HB1 ALA A 193 103.961 6.882 0.461 1.00 0.00 H new ATOM 0 HB2 ALA A 193 102.503 5.991 -0.034 1.00 0.00 H new ATOM 0 HB3 ALA A 193 102.371 7.343 1.115 1.00 0.00 H new ATOM 1282 N GLU A 194 103.161 6.963 3.917 1.00 0.00 N ATOM 1283 CA GLU A 194 103.741 7.622 5.074 1.00 0.00 C ATOM 1284 C GLU A 194 104.331 6.566 6.004 1.00 0.00 C ATOM 1285 O GLU A 194 105.327 6.808 6.687 1.00 0.00 O ATOM 1286 CB GLU A 194 102.683 8.472 5.799 1.00 0.00 C ATOM 1287 CG GLU A 194 102.321 7.984 7.197 1.00 0.00 C ATOM 1288 CD GLU A 194 103.469 8.120 8.180 1.00 0.00 C ATOM 1289 OE1 GLU A 194 103.934 9.259 8.397 1.00 0.00 O ATOM 1290 OE2 GLU A 194 103.903 7.087 8.732 1.00 0.00 O ATOM 0 H GLU A 194 102.163 7.129 3.787 1.00 0.00 H new ATOM 0 HA GLU A 194 104.535 8.295 4.752 1.00 0.00 H new ATOM 0 HB2 GLU A 194 103.047 9.497 5.870 1.00 0.00 H new ATOM 0 HB3 GLU A 194 101.778 8.496 5.192 1.00 0.00 H new ATOM 0 HG2 GLU A 194 101.465 8.549 7.564 1.00 0.00 H new ATOM 0 HG3 GLU A 194 102.015 6.939 7.145 1.00 0.00 H new ATOM 1297 N ASP A 195 103.714 5.383 6.008 1.00 0.00 N ATOM 1298 CA ASP A 195 104.186 4.280 6.834 1.00 0.00 C ATOM 1299 C ASP A 195 105.461 3.691 6.239 1.00 0.00 C ATOM 1300 O ASP A 195 106.428 3.426 6.954 1.00 0.00 O ATOM 1301 CB ASP A 195 103.111 3.200 6.978 1.00 0.00 C ATOM 1302 CG ASP A 195 101.861 3.720 7.661 1.00 0.00 C ATOM 1303 OD1 ASP A 195 101.966 4.184 8.817 1.00 0.00 O ATOM 1304 OD2 ASP A 195 100.778 3.664 7.043 1.00 0.00 O ATOM 0 H ASP A 195 102.889 5.168 5.449 1.00 0.00 H new ATOM 0 HA ASP A 195 104.406 4.666 7.829 1.00 0.00 H new ATOM 0 HB2 ASP A 195 102.850 2.816 5.992 1.00 0.00 H new ATOM 0 HB3 ASP A 195 103.514 2.364 7.550 1.00 0.00 H new ATOM 1309 N HIS A 196 105.465 3.512 4.918 1.00 0.00 N ATOM 1310 CA HIS A 196 106.618 2.991 4.217 1.00 0.00 C ATOM 1311 C HIS A 196 107.788 3.933 4.415 1.00 0.00 C ATOM 1312 O HIS A 196 108.912 3.520 4.696 1.00 0.00 O ATOM 1313 CB HIS A 196 106.313 2.878 2.720 1.00 0.00 C ATOM 1314 CG HIS A 196 107.444 2.296 1.946 1.00 0.00 C ATOM 1315 ND1 HIS A 196 107.564 2.451 0.584 1.00 0.00 N ATOM 1316 CD2 HIS A 196 108.462 1.548 2.402 1.00 0.00 C ATOM 1317 CE1 HIS A 196 108.660 1.786 0.247 1.00 0.00 C ATOM 1318 NE2 HIS A 196 109.238 1.222 1.319 1.00 0.00 N ATOM 0 H HIS A 196 104.670 3.725 4.315 1.00 0.00 H new ATOM 0 HA HIS A 196 106.861 2.004 4.610 1.00 0.00 H new ATOM 0 HB2 HIS A 196 105.426 2.260 2.580 1.00 0.00 H new ATOM 0 HB3 HIS A 196 106.079 3.867 2.325 1.00 0.00 H new ATOM 0 HD2 HIS A 196 108.637 1.258 3.428 1.00 0.00 H new ATOM 0 HE1 HIS A 196 109.039 1.708 -0.761 1.00 0.00 H new ATOM 0 HE2 HIS A 196 110.089 0.660 1.327 1.00 0.00 H new ATOM 1326 N ARG A 197 107.486 5.211 4.254 1.00 0.00 N ATOM 1327 CA ARG A 197 108.457 6.281 4.390 1.00 0.00 C ATOM 1328 C ARG A 197 109.181 6.214 5.730 1.00 0.00 C ATOM 1329 O ARG A 197 110.384 5.965 5.783 1.00 0.00 O ATOM 1330 CB ARG A 197 107.729 7.614 4.256 1.00 0.00 C ATOM 1331 CG ARG A 197 108.640 8.811 4.057 1.00 0.00 C ATOM 1332 CD ARG A 197 107.826 10.057 3.751 1.00 0.00 C ATOM 1333 NE ARG A 197 106.858 10.343 4.805 1.00 0.00 N ATOM 1334 CZ ARG A 197 105.823 11.161 4.649 1.00 0.00 C ATOM 1335 NH1 ARG A 197 105.588 11.718 3.469 1.00 0.00 N ATOM 1336 NH2 ARG A 197 105.011 11.409 5.667 1.00 0.00 N ATOM 0 H ARG A 197 106.548 5.537 4.022 1.00 0.00 H new ATOM 0 HA ARG A 197 109.210 6.177 3.609 1.00 0.00 H new ATOM 0 HB2 ARG A 197 107.040 7.554 3.414 1.00 0.00 H new ATOM 0 HB3 ARG A 197 107.127 7.776 5.150 1.00 0.00 H new ATOM 0 HG2 ARG A 197 109.239 8.972 4.953 1.00 0.00 H new ATOM 0 HG3 ARG A 197 109.335 8.614 3.241 1.00 0.00 H new ATOM 0 HD2 ARG A 197 108.496 10.909 3.631 1.00 0.00 H new ATOM 0 HD3 ARG A 197 107.304 9.927 2.803 1.00 0.00 H new ATOM 0 HE ARG A 197 106.983 9.890 5.710 1.00 0.00 H new ATOM 0 HH11 ARG A 197 106.202 11.519 2.680 1.00 0.00 H new ATOM 0 HH12 ARG A 197 104.793 12.346 3.351 1.00 0.00 H new ATOM 0 HH21 ARG A 197 105.180 10.971 6.573 1.00 0.00 H new ATOM 0 HH22 ARG A 197 104.217 12.037 5.545 1.00 0.00 H new ATOM 1350 N GLN A 198 108.441 6.449 6.807 1.00 0.00 N ATOM 1351 CA GLN A 198 109.015 6.432 8.147 1.00 0.00 C ATOM 1352 C GLN A 198 109.745 5.121 8.421 1.00 0.00 C ATOM 1353 O GLN A 198 110.723 5.091 9.169 1.00 0.00 O ATOM 1354 CB GLN A 198 107.922 6.649 9.196 1.00 0.00 C ATOM 1355 CG GLN A 198 107.181 7.969 9.046 1.00 0.00 C ATOM 1356 CD GLN A 198 108.057 9.174 9.337 1.00 0.00 C ATOM 1357 OE1 GLN A 198 107.625 10.318 9.192 1.00 0.00 O ATOM 1358 NE2 GLN A 198 109.291 8.924 9.760 1.00 0.00 N ATOM 0 H GLN A 198 107.442 6.654 6.779 1.00 0.00 H new ATOM 0 HA GLN A 198 109.739 7.244 8.209 1.00 0.00 H new ATOM 0 HB2 GLN A 198 107.204 5.831 9.134 1.00 0.00 H new ATOM 0 HB3 GLN A 198 108.370 6.605 10.189 1.00 0.00 H new ATOM 0 HG2 GLN A 198 106.790 8.047 8.032 1.00 0.00 H new ATOM 0 HG3 GLN A 198 106.324 7.978 9.720 1.00 0.00 H new ATOM 0 HE21 GLN A 198 109.608 7.960 9.866 1.00 0.00 H new ATOM 0 HE22 GLN A 198 109.921 9.696 9.979 1.00 0.00 H new ATOM 1367 N GLY A 199 109.265 4.038 7.817 1.00 0.00 N ATOM 1368 CA GLY A 199 109.886 2.743 8.019 1.00 0.00 C ATOM 1369 C GLY A 199 111.285 2.665 7.437 1.00 0.00 C ATOM 1370 O GLY A 199 112.201 2.157 8.083 1.00 0.00 O ATOM 0 H GLY A 199 108.459 4.035 7.193 1.00 0.00 H new ATOM 0 HA2 GLY A 199 109.929 2.528 9.087 1.00 0.00 H new ATOM 0 HA3 GLY A 199 109.264 1.972 7.564 1.00 0.00 H new ATOM 1374 N ILE A 200 111.453 3.169 6.219 1.00 0.00 N ATOM 1375 CA ILE A 200 112.755 3.152 5.560 1.00 0.00 C ATOM 1376 C ILE A 200 113.615 4.319 6.037 1.00 0.00 C ATOM 1377 O ILE A 200 114.839 4.289 5.921 1.00 0.00 O ATOM 1378 CB ILE A 200 112.609 3.172 4.015 1.00 0.00 C ATOM 1379 CG1 ILE A 200 113.976 3.144 3.318 1.00 0.00 C ATOM 1380 CG2 ILE A 200 111.795 4.368 3.550 1.00 0.00 C ATOM 1381 CD1 ILE A 200 114.734 4.461 3.329 1.00 0.00 C ATOM 0 H ILE A 200 110.706 3.593 5.669 1.00 0.00 H new ATOM 0 HA ILE A 200 113.253 2.222 5.833 1.00 0.00 H new ATOM 0 HB ILE A 200 112.071 2.267 3.733 1.00 0.00 H new ATOM 0 HG12 ILE A 200 114.594 2.383 3.795 1.00 0.00 H new ATOM 0 HG13 ILE A 200 113.832 2.834 2.283 1.00 0.00 H new ATOM 0 HG21 ILE A 200 111.712 4.351 2.463 1.00 0.00 H new ATOM 0 HG22 ILE A 200 110.799 4.324 3.991 1.00 0.00 H new ATOM 0 HG23 ILE A 200 112.289 5.288 3.862 1.00 0.00 H new ATOM 0 HD11 ILE A 200 115.686 4.337 2.813 1.00 0.00 H new ATOM 0 HD12 ILE A 200 114.143 5.225 2.823 1.00 0.00 H new ATOM 0 HD13 ILE A 200 114.917 4.767 4.359 1.00 0.00 H new ATOM 1393 N ALA A 201 112.966 5.345 6.584 1.00 0.00 N ATOM 1394 CA ALA A 201 113.673 6.522 7.084 1.00 0.00 C ATOM 1395 C ALA A 201 114.336 6.248 8.436 1.00 0.00 C ATOM 1396 O ALA A 201 115.546 6.416 8.587 1.00 0.00 O ATOM 1397 CB ALA A 201 112.715 7.710 7.178 1.00 0.00 C ATOM 0 H ALA A 201 111.953 5.385 6.692 1.00 0.00 H new ATOM 0 HA ALA A 201 114.467 6.765 6.378 1.00 0.00 H new ATOM 0 HB1 ALA A 201 113.252 8.582 7.552 1.00 0.00 H new ATOM 0 HB2 ALA A 201 112.309 7.929 6.190 1.00 0.00 H new ATOM 0 HB3 ALA A 201 111.900 7.467 7.859 1.00 0.00 H new ATOM 1403 N ARG A 202 113.545 5.820 9.410 1.00 0.00 N ATOM 1404 CA ARG A 202 114.060 5.516 10.743 1.00 0.00 C ATOM 1405 C ARG A 202 114.965 4.290 10.705 1.00 0.00 C ATOM 1406 O ARG A 202 115.936 4.193 11.457 1.00 0.00 O ATOM 1407 CB ARG A 202 112.901 5.272 11.710 1.00 0.00 C ATOM 1408 CG ARG A 202 111.939 6.444 11.815 1.00 0.00 C ATOM 1409 CD ARG A 202 110.775 6.127 12.740 1.00 0.00 C ATOM 1410 NE ARG A 202 110.007 4.976 12.277 1.00 0.00 N ATOM 1411 CZ ARG A 202 108.943 4.496 12.913 1.00 0.00 C ATOM 1412 NH1 ARG A 202 108.525 5.067 14.036 1.00 0.00 N ATOM 1413 NH2 ARG A 202 108.295 3.446 12.429 1.00 0.00 N ATOM 0 H ARG A 202 112.541 5.674 9.304 1.00 0.00 H new ATOM 0 HA ARG A 202 114.644 6.370 11.087 1.00 0.00 H new ATOM 0 HB2 ARG A 202 112.350 4.388 11.388 1.00 0.00 H new ATOM 0 HB3 ARG A 202 113.304 5.054 12.699 1.00 0.00 H new ATOM 0 HG2 ARG A 202 112.471 7.321 12.185 1.00 0.00 H new ATOM 0 HG3 ARG A 202 111.560 6.695 10.824 1.00 0.00 H new ATOM 0 HD2 ARG A 202 111.152 5.931 13.744 1.00 0.00 H new ATOM 0 HD3 ARG A 202 110.120 6.996 12.810 1.00 0.00 H new ATOM 0 HE ARG A 202 110.303 4.514 11.417 1.00 0.00 H new ATOM 0 HH11 ARG A 202 109.020 5.875 14.412 1.00 0.00 H new ATOM 0 HH12 ARG A 202 107.708 4.697 14.523 1.00 0.00 H new ATOM 0 HH21 ARG A 202 108.612 3.004 11.566 1.00 0.00 H new ATOM 0 HH22 ARG A 202 107.479 3.080 12.919 1.00 0.00 H new ATOM 1427 N ASN A 203 114.641 3.364 9.819 1.00 0.00 N ATOM 1428 CA ASN A 203 115.413 2.139 9.656 1.00 0.00 C ATOM 1429 C ASN A 203 116.870 2.412 9.285 1.00 0.00 C ATOM 1430 O ASN A 203 117.763 1.710 9.759 1.00 0.00 O ATOM 1431 CB ASN A 203 114.769 1.262 8.581 1.00 0.00 C ATOM 1432 CG ASN A 203 115.687 0.149 8.114 1.00 0.00 C ATOM 1433 OD1 ASN A 203 116.214 -0.616 8.920 1.00 0.00 O ATOM 1434 ND2 ASN A 203 115.881 0.054 6.804 1.00 0.00 N ATOM 0 H ASN A 203 113.839 3.437 9.193 1.00 0.00 H new ATOM 0 HA ASN A 203 115.410 1.625 10.617 1.00 0.00 H new ATOM 0 HB2 ASN A 203 113.849 0.829 8.973 1.00 0.00 H new ATOM 0 HB3 ASN A 203 114.492 1.882 7.728 1.00 0.00 H new ATOM 0 HD21 ASN A 203 116.488 -0.676 6.430 1.00 0.00 H new ATOM 0 HD22 ASN A 203 115.423 0.711 6.172 1.00 0.00 H new ATOM 1441 N HIS A 204 117.113 3.395 8.421 1.00 0.00 N ATOM 1442 CA HIS A 204 118.481 3.691 7.983 1.00 0.00 C ATOM 1443 C HIS A 204 119.003 5.057 8.443 1.00 0.00 C ATOM 1444 O HIS A 204 120.177 5.174 8.793 1.00 0.00 O ATOM 1445 CB HIS A 204 118.576 3.590 6.459 1.00 0.00 C ATOM 1446 CG HIS A 204 118.529 2.181 5.948 1.00 0.00 C ATOM 1447 ND1 HIS A 204 118.686 1.897 4.612 1.00 0.00 N ATOM 1448 CD2 HIS A 204 118.366 1.018 6.628 1.00 0.00 C ATOM 1449 CE1 HIS A 204 118.621 0.581 4.512 1.00 0.00 C ATOM 1450 NE2 HIS A 204 118.426 0.007 5.706 1.00 0.00 N ATOM 0 H HIS A 204 116.395 3.994 8.014 1.00 0.00 H new ATOM 0 HA HIS A 204 119.116 2.944 8.459 1.00 0.00 H new ATOM 0 HB2 HIS A 204 117.758 4.157 6.014 1.00 0.00 H new ATOM 0 HB3 HIS A 204 119.504 4.057 6.129 1.00 0.00 H new ATOM 0 HD2 HIS A 204 118.217 0.910 7.692 1.00 0.00 H new ATOM 0 HE1 HIS A 204 118.714 0.037 3.584 1.00 0.00 H new ATOM 0 HE2 HIS A 204 118.339 -0.992 5.893 1.00 0.00 H new ATOM 1458 N TYR A 205 118.174 6.099 8.411 1.00 0.00 N ATOM 1459 CA TYR A 205 118.621 7.442 8.794 1.00 0.00 C ATOM 1460 C TYR A 205 117.429 8.394 8.888 1.00 0.00 C ATOM 1461 O TYR A 205 117.124 8.891 9.971 1.00 0.00 O ATOM 1462 CB TYR A 205 119.623 7.980 7.764 1.00 0.00 C ATOM 1463 CG TYR A 205 119.014 8.151 6.389 1.00 0.00 C ATOM 1464 CD1 TYR A 205 118.968 7.094 5.486 1.00 0.00 C ATOM 1465 CD2 TYR A 205 118.454 9.362 6.004 1.00 0.00 C ATOM 1466 CE1 TYR A 205 118.388 7.242 4.242 1.00 0.00 C ATOM 1467 CE2 TYR A 205 117.870 9.517 4.762 1.00 0.00 C ATOM 1468 CZ TYR A 205 117.839 8.454 3.885 1.00 0.00 C ATOM 1469 OH TYR A 205 117.258 8.604 2.648 1.00 0.00 O ATOM 0 H TYR A 205 117.196 6.043 8.126 1.00 0.00 H new ATOM 0 HA TYR A 205 119.104 7.378 9.769 1.00 0.00 H new ATOM 0 HB2 TYR A 205 120.010 8.939 8.107 1.00 0.00 H new ATOM 0 HB3 TYR A 205 120.471 7.299 7.699 1.00 0.00 H new ATOM 0 HD1 TYR A 205 119.394 6.141 5.763 1.00 0.00 H new ATOM 0 HD2 TYR A 205 118.476 10.198 6.688 1.00 0.00 H new ATOM 0 HE1 TYR A 205 118.365 6.412 3.552 1.00 0.00 H new ATOM 0 HE2 TYR A 205 117.440 10.466 4.479 1.00 0.00 H new ATOM 0 HH TYR A 205 117.104 7.722 2.250 1.00 0.00 H new ATOM 1479 N ASP A 206 116.761 8.641 7.766 1.00 0.00 N ATOM 1480 CA ASP A 206 115.603 9.537 7.736 1.00 0.00 C ATOM 1481 C ASP A 206 115.305 10.022 6.317 1.00 0.00 C ATOM 1482 O ASP A 206 115.409 11.213 6.024 1.00 0.00 O ATOM 1483 CB ASP A 206 115.813 10.746 8.656 1.00 0.00 C ATOM 1484 CG ASP A 206 114.718 11.786 8.508 1.00 0.00 C ATOM 1485 OD1 ASP A 206 113.778 11.553 7.719 1.00 0.00 O ATOM 1486 OD2 ASP A 206 114.799 12.832 9.184 1.00 0.00 O ATOM 0 H ASP A 206 117.000 8.234 6.862 1.00 0.00 H new ATOM 0 HA ASP A 206 114.749 8.962 8.095 1.00 0.00 H new ATOM 0 HB2 ASP A 206 115.851 10.408 9.692 1.00 0.00 H new ATOM 0 HB3 ASP A 206 116.777 11.204 8.434 1.00 0.00 H new ATOM 1491 N CYS A 207 114.912 9.096 5.451 1.00 0.00 N ATOM 1492 CA CYS A 207 114.570 9.425 4.072 1.00 0.00 C ATOM 1493 C CYS A 207 113.488 10.503 4.020 1.00 0.00 C ATOM 1494 O CYS A 207 112.341 10.267 4.399 1.00 0.00 O ATOM 1495 CB CYS A 207 114.100 8.169 3.332 1.00 0.00 C ATOM 1496 SG CYS A 207 113.331 8.498 1.730 1.00 0.00 S ATOM 0 H CYS A 207 114.822 8.106 5.681 1.00 0.00 H new ATOM 0 HA CYS A 207 115.463 9.814 3.582 1.00 0.00 H new ATOM 0 HB2 CYS A 207 114.953 7.507 3.184 1.00 0.00 H new ATOM 0 HB3 CYS A 207 113.388 7.635 3.961 1.00 0.00 H new ATOM 0 HG CYS A 207 114.253 8.601 0.819 1.00 0.00 H new ATOM 1502 N GLY A 208 113.871 11.687 3.542 1.00 0.00 N ATOM 1503 CA GLY A 208 112.935 12.794 3.440 1.00 0.00 C ATOM 1504 C GLY A 208 111.821 12.519 2.449 1.00 0.00 C ATOM 1505 O GLY A 208 111.816 11.479 1.790 1.00 0.00 O ATOM 0 H GLY A 208 114.816 11.898 3.223 1.00 0.00 H new ATOM 0 HA2 GLY A 208 112.504 12.993 4.421 1.00 0.00 H new ATOM 0 HA3 GLY A 208 113.472 13.694 3.139 1.00 0.00 H new ATOM 1509 N TYR A 209 110.871 13.445 2.345 1.00 0.00 N ATOM 1510 CA TYR A 209 109.750 13.272 1.429 1.00 0.00 C ATOM 1511 C TYR A 209 110.224 13.290 -0.021 1.00 0.00 C ATOM 1512 O TYR A 209 109.853 12.429 -0.818 1.00 0.00 O ATOM 1513 CB TYR A 209 108.689 14.353 1.649 1.00 0.00 C ATOM 1514 CG TYR A 209 108.090 14.352 3.039 1.00 0.00 C ATOM 1515 CD1 TYR A 209 108.865 14.642 4.157 1.00 0.00 C ATOM 1516 CD2 TYR A 209 106.746 14.061 3.234 1.00 0.00 C ATOM 1517 CE1 TYR A 209 108.317 14.641 5.425 1.00 0.00 C ATOM 1518 CE2 TYR A 209 106.192 14.057 4.498 1.00 0.00 C ATOM 1519 CZ TYR A 209 106.980 14.348 5.590 1.00 0.00 C ATOM 1520 OH TYR A 209 106.430 14.345 6.852 1.00 0.00 O ATOM 0 H TYR A 209 110.855 14.314 2.879 1.00 0.00 H new ATOM 0 HA TYR A 209 109.301 12.300 1.636 1.00 0.00 H new ATOM 0 HB2 TYR A 209 109.134 15.329 1.457 1.00 0.00 H new ATOM 0 HB3 TYR A 209 107.890 14.218 0.920 1.00 0.00 H new ATOM 0 HD1 TYR A 209 109.913 14.872 4.032 1.00 0.00 H new ATOM 0 HD2 TYR A 209 106.123 13.834 2.381 1.00 0.00 H new ATOM 0 HE1 TYR A 209 108.933 14.869 6.283 1.00 0.00 H new ATOM 0 HE2 TYR A 209 105.145 13.827 4.631 1.00 0.00 H new ATOM 0 HH TYR A 209 105.478 14.120 6.793 1.00 0.00 H new ATOM 1530 N GLU A 210 111.051 14.275 -0.351 1.00 0.00 N ATOM 1531 CA GLU A 210 111.584 14.405 -1.701 1.00 0.00 C ATOM 1532 C GLU A 210 112.414 13.181 -2.059 1.00 0.00 C ATOM 1533 O GLU A 210 112.444 12.744 -3.209 1.00 0.00 O ATOM 1534 CB GLU A 210 112.433 15.676 -1.816 1.00 0.00 C ATOM 1535 CG GLU A 210 113.605 15.723 -0.846 1.00 0.00 C ATOM 1536 CD GLU A 210 114.738 14.792 -1.238 1.00 0.00 C ATOM 1537 OE1 GLU A 210 114.681 14.215 -2.343 1.00 0.00 O ATOM 1538 OE2 GLU A 210 115.692 14.653 -0.442 1.00 0.00 O ATOM 0 H GLU A 210 111.367 14.995 0.298 1.00 0.00 H new ATOM 0 HA GLU A 210 110.751 14.478 -2.400 1.00 0.00 H new ATOM 0 HB2 GLU A 210 112.813 15.757 -2.834 1.00 0.00 H new ATOM 0 HB3 GLU A 210 111.796 16.544 -1.644 1.00 0.00 H new ATOM 0 HG2 GLU A 210 113.983 16.744 -0.791 1.00 0.00 H new ATOM 0 HG3 GLU A 210 113.254 15.459 0.152 1.00 0.00 H new ATOM 1545 N MET A 211 113.070 12.623 -1.049 1.00 0.00 N ATOM 1546 CA MET A 211 113.888 11.433 -1.230 1.00 0.00 C ATOM 1547 C MET A 211 113.004 10.222 -1.452 1.00 0.00 C ATOM 1548 O MET A 211 113.263 9.393 -2.324 1.00 0.00 O ATOM 1549 CB MET A 211 114.770 11.191 -0.008 1.00 0.00 C ATOM 1550 CG MET A 211 115.835 10.123 -0.231 1.00 0.00 C ATOM 1551 SD MET A 211 115.129 8.514 -0.624 1.00 0.00 S ATOM 1552 CE MET A 211 116.604 7.532 -0.842 1.00 0.00 C ATOM 0 H MET A 211 113.050 12.978 -0.093 1.00 0.00 H new ATOM 0 HA MET A 211 114.523 11.590 -2.102 1.00 0.00 H new ATOM 0 HB2 MET A 211 115.256 12.126 0.270 1.00 0.00 H new ATOM 0 HB3 MET A 211 114.141 10.896 0.832 1.00 0.00 H new ATOM 0 HG2 MET A 211 116.493 10.435 -1.042 1.00 0.00 H new ATOM 0 HG3 MET A 211 116.451 10.037 0.664 1.00 0.00 H new ATOM 0 HE1 MET A 211 116.379 6.486 -0.632 1.00 0.00 H new ATOM 0 HE2 MET A 211 116.956 7.628 -1.869 1.00 0.00 H new ATOM 0 HE3 MET A 211 117.378 7.881 -0.159 1.00 0.00 H new ATOM 1562 N HIS A 212 111.959 10.128 -0.643 1.00 0.00 N ATOM 1563 CA HIS A 212 111.030 9.012 -0.734 1.00 0.00 C ATOM 1564 C HIS A 212 110.516 8.849 -2.157 1.00 0.00 C ATOM 1565 O HIS A 212 110.287 7.733 -2.615 1.00 0.00 O ATOM 1566 CB HIS A 212 109.850 9.188 0.224 1.00 0.00 C ATOM 1567 CG HIS A 212 109.005 7.953 0.357 1.00 0.00 C ATOM 1568 ND1 HIS A 212 107.838 7.955 1.081 1.00 0.00 N ATOM 1569 CD2 HIS A 212 109.211 6.706 -0.142 1.00 0.00 C ATOM 1570 CE1 HIS A 212 107.362 6.724 1.007 1.00 0.00 C ATOM 1571 NE2 HIS A 212 108.159 5.929 0.279 1.00 0.00 N ATOM 0 H HIS A 212 111.734 10.809 0.082 1.00 0.00 H new ATOM 0 HA HIS A 212 111.576 8.113 -0.448 1.00 0.00 H new ATOM 0 HB2 HIS A 212 110.228 9.469 1.207 1.00 0.00 H new ATOM 0 HB3 HIS A 212 109.226 10.011 -0.126 1.00 0.00 H new ATOM 0 HD2 HIS A 212 110.043 6.387 -0.753 1.00 0.00 H new ATOM 0 HE1 HIS A 212 106.445 6.399 1.475 1.00 0.00 H new ATOM 0 HE2 HIS A 212 108.013 4.940 0.077 1.00 0.00 H new ATOM 1579 N THR A 213 110.327 9.955 -2.863 1.00 0.00 N ATOM 1580 CA THR A 213 109.841 9.871 -4.233 1.00 0.00 C ATOM 1581 C THR A 213 110.986 9.518 -5.179 1.00 0.00 C ATOM 1582 O THR A 213 110.815 8.748 -6.123 1.00 0.00 O ATOM 1583 CB THR A 213 109.133 11.156 -4.638 1.00 0.00 C ATOM 1584 OG1 THR A 213 110.041 12.244 -4.666 1.00 0.00 O ATOM 1585 CG2 THR A 213 108.017 11.509 -3.683 1.00 0.00 C ATOM 0 H THR A 213 110.498 10.900 -2.520 1.00 0.00 H new ATOM 0 HA THR A 213 109.103 9.071 -4.299 1.00 0.00 H new ATOM 0 HB THR A 213 108.718 10.979 -5.630 1.00 0.00 H new ATOM 0 HG1 THR A 213 110.797 12.054 -4.072 1.00 0.00 H new ATOM 0 HG21 THR A 213 107.538 12.432 -4.009 1.00 0.00 H new ATOM 0 HG22 THR A 213 107.282 10.704 -3.669 1.00 0.00 H new ATOM 0 HG23 THR A 213 108.425 11.645 -2.681 1.00 0.00 H new ATOM 1593 N CYS A 214 112.165 10.077 -4.898 1.00 0.00 N ATOM 1594 CA CYS A 214 113.354 9.810 -5.704 1.00 0.00 C ATOM 1595 C CYS A 214 113.571 8.307 -5.793 1.00 0.00 C ATOM 1596 O CYS A 214 113.703 7.745 -6.882 1.00 0.00 O ATOM 1597 CB CYS A 214 114.575 10.497 -5.077 1.00 0.00 C ATOM 1598 SG CYS A 214 116.182 10.043 -5.808 1.00 0.00 S ATOM 0 H CYS A 214 112.320 10.717 -4.119 1.00 0.00 H new ATOM 0 HA CYS A 214 113.215 10.209 -6.709 1.00 0.00 H new ATOM 0 HB2 CYS A 214 114.448 11.576 -5.161 1.00 0.00 H new ATOM 0 HB3 CYS A 214 114.598 10.261 -4.013 1.00 0.00 H new ATOM 1603 N LEU A 215 113.574 7.658 -4.637 1.00 0.00 N ATOM 1604 CA LEU A 215 113.736 6.216 -4.568 1.00 0.00 C ATOM 1605 C LEU A 215 112.595 5.509 -5.296 1.00 0.00 C ATOM 1606 O LEU A 215 112.808 4.588 -6.072 1.00 0.00 O ATOM 1607 CB LEU A 215 113.809 5.752 -3.101 1.00 0.00 C ATOM 1608 CG LEU A 215 112.582 6.013 -2.211 1.00 0.00 C ATOM 1609 CD1 LEU A 215 111.439 5.047 -2.545 1.00 0.00 C ATOM 1610 CD2 LEU A 215 112.969 5.875 -0.740 1.00 0.00 C ATOM 0 H LEU A 215 113.465 8.112 -3.730 1.00 0.00 H new ATOM 0 HA LEU A 215 114.671 5.953 -5.062 1.00 0.00 H new ATOM 0 HB2 LEU A 215 114.005 4.680 -3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 215 114.669 6.235 -2.638 1.00 0.00 H new ATOM 0 HG LEU A 215 112.233 7.028 -2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 215 110.586 5.256 -1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 215 111.146 5.176 -3.587 1.00 0.00 H new ATOM 0 HD13 LEU A 215 111.771 4.021 -2.386 1.00 0.00 H new ATOM 0 HD21 LEU A 215 112.096 6.061 -0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 215 113.340 4.867 -0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 215 113.748 6.598 -0.499 1.00 0.00 H new ATOM 1622 N GLY A 216 111.377 5.944 -5.018 1.00 0.00 N ATOM 1623 CA GLY A 216 110.198 5.343 -5.623 1.00 0.00 C ATOM 1624 C GLY A 216 110.258 5.197 -7.139 1.00 0.00 C ATOM 1625 O GLY A 216 109.672 4.266 -7.690 1.00 0.00 O ATOM 0 H GLY A 216 111.178 6.712 -4.377 1.00 0.00 H new ATOM 0 HA2 GLY A 216 110.044 4.357 -5.184 1.00 0.00 H new ATOM 0 HA3 GLY A 216 109.328 5.946 -5.365 1.00 0.00 H new ATOM 1629 N GLU A 217 110.932 6.118 -7.824 1.00 0.00 N ATOM 1630 CA GLU A 217 111.012 6.071 -9.291 1.00 0.00 C ATOM 1631 C GLU A 217 112.246 5.328 -9.806 1.00 0.00 C ATOM 1632 O GLU A 217 112.221 4.828 -10.930 1.00 0.00 O ATOM 1633 CB GLU A 217 110.934 7.474 -9.894 1.00 0.00 C ATOM 1634 CG GLU A 217 109.639 8.204 -9.572 1.00 0.00 C ATOM 1635 CD GLU A 217 109.581 9.586 -10.190 1.00 0.00 C ATOM 1636 OE1 GLU A 217 110.457 10.418 -9.871 1.00 0.00 O ATOM 1637 OE2 GLU A 217 108.660 9.839 -10.995 1.00 0.00 O ATOM 0 H GLU A 217 111.428 6.900 -7.397 1.00 0.00 H new ATOM 0 HA GLU A 217 110.146 5.498 -9.621 1.00 0.00 H new ATOM 0 HB2 GLU A 217 111.774 8.064 -9.529 1.00 0.00 H new ATOM 0 HB3 GLU A 217 111.041 7.402 -10.976 1.00 0.00 H new ATOM 0 HG2 GLU A 217 108.795 7.614 -9.930 1.00 0.00 H new ATOM 0 HG3 GLU A 217 109.533 8.289 -8.490 1.00 0.00 H new ATOM 1644 N MET A 218 113.303 5.199 -9.021 1.00 0.00 N ATOM 1645 CA MET A 218 114.459 4.443 -9.501 1.00 0.00 C ATOM 1646 C MET A 218 114.121 2.950 -9.461 1.00 0.00 C ATOM 1647 O MET A 218 114.849 2.110 -9.990 1.00 0.00 O ATOM 1648 CB MET A 218 115.722 4.745 -8.690 1.00 0.00 C ATOM 1649 CG MET A 218 115.672 4.257 -7.257 1.00 0.00 C ATOM 1650 SD MET A 218 117.155 4.696 -6.330 1.00 0.00 S ATOM 1651 CE MET A 218 117.168 6.477 -6.526 1.00 0.00 C ATOM 0 H MET A 218 113.390 5.590 -8.083 1.00 0.00 H new ATOM 0 HA MET A 218 114.675 4.745 -10.526 1.00 0.00 H new ATOM 0 HB2 MET A 218 116.577 4.288 -9.188 1.00 0.00 H new ATOM 0 HB3 MET A 218 115.891 5.822 -8.689 1.00 0.00 H new ATOM 0 HG2 MET A 218 114.798 4.681 -6.762 1.00 0.00 H new ATOM 0 HG3 MET A 218 115.549 3.174 -7.249 1.00 0.00 H new ATOM 0 HE1 MET A 218 117.771 6.925 -5.737 1.00 0.00 H new ATOM 0 HE2 MET A 218 117.592 6.733 -7.497 1.00 0.00 H new ATOM 0 HE3 MET A 218 116.148 6.857 -6.464 1.00 0.00 H new ATOM 1661 N TYR A 219 112.988 2.652 -8.823 1.00 0.00 N ATOM 1662 CA TYR A 219 112.474 1.287 -8.675 1.00 0.00 C ATOM 1663 C TYR A 219 111.920 0.744 -9.992 1.00 0.00 C ATOM 1664 O TYR A 219 112.162 -0.408 -10.352 1.00 0.00 O ATOM 1665 CB TYR A 219 111.375 1.304 -7.612 1.00 0.00 C ATOM 1666 CG TYR A 219 111.900 1.242 -6.195 1.00 0.00 C ATOM 1667 CD1 TYR A 219 112.950 2.052 -5.790 1.00 0.00 C ATOM 1668 CD2 TYR A 219 111.311 0.414 -5.250 1.00 0.00 C ATOM 1669 CE1 TYR A 219 113.409 2.029 -4.489 1.00 0.00 C ATOM 1670 CE2 TYR A 219 111.766 0.382 -3.946 1.00 0.00 C ATOM 1671 CZ TYR A 219 112.816 1.193 -3.571 1.00 0.00 C ATOM 1672 OH TYR A 219 113.268 1.173 -2.274 1.00 0.00 O ATOM 0 H TYR A 219 112.394 3.359 -8.389 1.00 0.00 H new ATOM 0 HA TYR A 219 113.291 0.631 -8.376 1.00 0.00 H new ATOM 0 HB2 TYR A 219 110.781 2.210 -7.731 1.00 0.00 H new ATOM 0 HB3 TYR A 219 110.706 0.460 -7.780 1.00 0.00 H new ATOM 0 HD1 TYR A 219 113.417 2.713 -6.506 1.00 0.00 H new ATOM 0 HD2 TYR A 219 110.483 -0.216 -5.539 1.00 0.00 H new ATOM 0 HE1 TYR A 219 114.230 2.665 -4.192 1.00 0.00 H new ATOM 0 HE2 TYR A 219 111.302 -0.274 -3.225 1.00 0.00 H new ATOM 0 HH TYR A 219 112.540 1.430 -1.670 1.00 0.00 H new ATOM 1682 N VAL A 220 111.176 1.582 -10.705 1.00 0.00 N ATOM 1683 CA VAL A 220 110.585 1.193 -11.981 1.00 0.00 C ATOM 1684 C VAL A 220 111.596 1.325 -13.114 1.00 0.00 C ATOM 1685 O VAL A 220 111.263 1.136 -14.283 1.00 0.00 O ATOM 1686 CB VAL A 220 109.352 2.057 -12.313 1.00 0.00 C ATOM 1687 CG1 VAL A 220 108.358 2.028 -11.162 1.00 0.00 C ATOM 1688 CG2 VAL A 220 109.758 3.486 -12.643 1.00 0.00 C ATOM 0 H VAL A 220 110.967 2.539 -10.420 1.00 0.00 H new ATOM 0 HA VAL A 220 110.279 0.151 -11.885 1.00 0.00 H new ATOM 0 HB VAL A 220 108.869 1.637 -13.195 1.00 0.00 H new ATOM 0 HG11 VAL A 220 107.493 2.643 -11.412 1.00 0.00 H new ATOM 0 HG12 VAL A 220 108.035 1.002 -10.986 1.00 0.00 H new ATOM 0 HG13 VAL A 220 108.832 2.418 -10.262 1.00 0.00 H new ATOM 0 HG21 VAL A 220 108.869 4.073 -12.873 1.00 0.00 H new ATOM 0 HG22 VAL A 220 110.271 3.925 -11.788 1.00 0.00 H new ATOM 0 HG23 VAL A 220 110.425 3.485 -13.505 1.00 0.00 H new ATOM 1698 N SER A 221 112.830 1.665 -12.757 1.00 0.00 N ATOM 1699 CA SER A 221 113.892 1.842 -13.741 1.00 0.00 C ATOM 1700 C SER A 221 114.397 0.504 -14.271 1.00 0.00 C ATOM 1701 O SER A 221 114.917 0.430 -15.385 1.00 0.00 O ATOM 1702 CB SER A 221 115.053 2.629 -13.132 1.00 0.00 C ATOM 1703 OG SER A 221 114.635 3.920 -12.725 1.00 0.00 O ATOM 0 H SER A 221 113.120 1.824 -11.792 1.00 0.00 H new ATOM 0 HA SER A 221 113.474 2.401 -14.578 1.00 0.00 H new ATOM 0 HB2 SER A 221 115.455 2.087 -12.276 1.00 0.00 H new ATOM 0 HB3 SER A 221 115.859 2.717 -13.861 1.00 0.00 H new ATOM 0 HG SER A 221 115.416 4.505 -12.641 1.00 0.00 H new ATOM 1709 N ASP A 222 114.255 -0.554 -13.476 1.00 0.00 N ATOM 1710 CA ASP A 222 114.715 -1.877 -13.892 1.00 0.00 C ATOM 1711 C ASP A 222 113.773 -2.979 -13.409 1.00 0.00 C ATOM 1712 O ASP A 222 113.234 -2.913 -12.303 1.00 0.00 O ATOM 1713 CB ASP A 222 116.132 -2.123 -13.374 1.00 0.00 C ATOM 1714 CG ASP A 222 116.229 -1.976 -11.867 1.00 0.00 C ATOM 1715 OD1 ASP A 222 115.921 -0.877 -11.359 1.00 0.00 O ATOM 1716 OD2 ASP A 222 116.612 -2.956 -11.197 1.00 0.00 O ATOM 0 H ASP A 222 113.830 -0.523 -12.549 1.00 0.00 H new ATOM 0 HA ASP A 222 114.720 -1.904 -14.982 1.00 0.00 H new ATOM 0 HB2 ASP A 222 116.452 -3.125 -13.660 1.00 0.00 H new ATOM 0 HB3 ASP A 222 116.817 -1.421 -13.850 1.00 0.00 H new ATOM 1721 N GLU A 223 113.574 -3.986 -14.255 1.00 0.00 N ATOM 1722 CA GLU A 223 112.692 -5.108 -13.940 1.00 0.00 C ATOM 1723 C GLU A 223 113.292 -6.057 -12.901 1.00 0.00 C ATOM 1724 O GLU A 223 112.548 -6.771 -12.230 1.00 0.00 O ATOM 1725 CB GLU A 223 112.325 -5.875 -15.211 1.00 0.00 C ATOM 1726 CG GLU A 223 111.416 -7.069 -14.963 1.00 0.00 C ATOM 1727 CD GLU A 223 110.098 -6.677 -14.323 1.00 0.00 C ATOM 1728 OE1 GLU A 223 109.362 -5.870 -14.928 1.00 0.00 O ATOM 1729 OE2 GLU A 223 109.803 -7.178 -13.219 1.00 0.00 O ATOM 0 H GLU A 223 114.016 -4.048 -15.172 1.00 0.00 H new ATOM 0 HA GLU A 223 111.789 -4.685 -13.501 1.00 0.00 H new ATOM 0 HB2 GLU A 223 111.834 -5.194 -15.907 1.00 0.00 H new ATOM 0 HB3 GLU A 223 113.239 -6.220 -15.694 1.00 0.00 H new ATOM 0 HG2 GLU A 223 111.220 -7.574 -15.909 1.00 0.00 H new ATOM 0 HG3 GLU A 223 111.929 -7.784 -14.320 1.00 0.00 H new ATOM 1736 N ARG A 224 114.611 -6.070 -12.736 1.00 0.00 N ATOM 1737 CA ARG A 224 115.203 -6.951 -11.730 1.00 0.00 C ATOM 1738 C ARG A 224 114.710 -6.528 -10.348 1.00 0.00 C ATOM 1739 O ARG A 224 114.411 -7.363 -9.493 1.00 0.00 O ATOM 1740 CB ARG A 224 116.733 -6.934 -11.803 1.00 0.00 C ATOM 1741 CG ARG A 224 117.339 -5.554 -11.643 1.00 0.00 C ATOM 1742 CD ARG A 224 118.850 -5.589 -11.810 1.00 0.00 C ATOM 1743 NE ARG A 224 119.444 -4.261 -11.688 1.00 0.00 N ATOM 1744 CZ ARG A 224 120.742 -4.019 -11.844 1.00 0.00 C ATOM 1745 NH1 ARG A 224 121.571 -5.012 -12.138 1.00 0.00 N ATOM 1746 NH2 ARG A 224 121.210 -2.787 -11.711 1.00 0.00 N ATOM 0 H ARG A 224 115.273 -5.502 -13.265 1.00 0.00 H new ATOM 0 HA ARG A 224 114.891 -7.977 -11.925 1.00 0.00 H new ATOM 0 HB2 ARG A 224 117.131 -7.588 -11.027 1.00 0.00 H new ATOM 0 HB3 ARG A 224 117.046 -7.349 -12.761 1.00 0.00 H new ATOM 0 HG2 ARG A 224 116.906 -4.877 -12.379 1.00 0.00 H new ATOM 0 HG3 ARG A 224 117.089 -5.157 -10.659 1.00 0.00 H new ATOM 0 HD2 ARG A 224 119.283 -6.250 -11.059 1.00 0.00 H new ATOM 0 HD3 ARG A 224 119.097 -6.009 -12.785 1.00 0.00 H new ATOM 0 HE ARG A 224 118.830 -3.476 -11.471 1.00 0.00 H new ATOM 0 HH11 ARG A 224 121.213 -5.961 -12.244 1.00 0.00 H new ATOM 0 HH12 ARG A 224 122.567 -4.826 -12.258 1.00 0.00 H new ATOM 0 HH21 ARG A 224 120.574 -2.021 -11.488 1.00 0.00 H new ATOM 0 HH22 ARG A 224 122.206 -2.604 -11.831 1.00 0.00 H new ATOM 1760 N PHE A 225 114.580 -5.217 -10.170 1.00 0.00 N ATOM 1761 CA PHE A 225 114.069 -4.631 -8.933 1.00 0.00 C ATOM 1762 C PHE A 225 112.580 -4.929 -8.788 1.00 0.00 C ATOM 1763 O PHE A 225 112.126 -5.426 -7.759 1.00 0.00 O ATOM 1764 CB PHE A 225 114.284 -3.109 -8.958 1.00 0.00 C ATOM 1765 CG PHE A 225 115.324 -2.626 -7.984 1.00 0.00 C ATOM 1766 CD1 PHE A 225 116.633 -3.071 -8.070 1.00 0.00 C ATOM 1767 CD2 PHE A 225 114.992 -1.724 -6.983 1.00 0.00 C ATOM 1768 CE1 PHE A 225 117.591 -2.630 -7.176 1.00 0.00 C ATOM 1769 CE2 PHE A 225 115.945 -1.279 -6.087 1.00 0.00 C ATOM 1770 CZ PHE A 225 117.246 -1.732 -6.185 1.00 0.00 C ATOM 0 H PHE A 225 114.826 -4.528 -10.881 1.00 0.00 H new ATOM 0 HA PHE A 225 114.604 -5.064 -8.088 1.00 0.00 H new ATOM 0 HB2 PHE A 225 114.576 -2.809 -9.965 1.00 0.00 H new ATOM 0 HB3 PHE A 225 113.338 -2.614 -8.740 1.00 0.00 H new ATOM 0 HD1 PHE A 225 116.909 -3.771 -8.845 1.00 0.00 H new ATOM 0 HD2 PHE A 225 113.976 -1.366 -6.903 1.00 0.00 H new ATOM 0 HE1 PHE A 225 118.607 -2.987 -7.252 1.00 0.00 H new ATOM 0 HE2 PHE A 225 115.673 -0.578 -5.311 1.00 0.00 H new ATOM 0 HZ PHE A 225 117.993 -1.384 -5.487 1.00 0.00 H new ATOM 1780 N THR A 226 111.835 -4.609 -9.836 1.00 0.00 N ATOM 1781 CA THR A 226 110.395 -4.818 -9.864 1.00 0.00 C ATOM 1782 C THR A 226 110.026 -6.261 -9.544 1.00 0.00 C ATOM 1783 O THR A 226 109.252 -6.525 -8.632 1.00 0.00 O ATOM 1784 CB THR A 226 109.873 -4.481 -11.252 1.00 0.00 C ATOM 1785 OG1 THR A 226 110.395 -3.243 -11.700 1.00 0.00 O ATOM 1786 CG2 THR A 226 108.363 -4.389 -11.323 1.00 0.00 C ATOM 0 H THR A 226 112.211 -4.198 -10.690 1.00 0.00 H new ATOM 0 HA THR A 226 109.948 -4.174 -9.107 1.00 0.00 H new ATOM 0 HB THR A 226 110.202 -5.304 -11.886 1.00 0.00 H new ATOM 0 HG1 THR A 226 110.048 -3.046 -12.595 1.00 0.00 H new ATOM 0 HG21 THR A 226 108.061 -4.146 -12.342 1.00 0.00 H new ATOM 0 HG22 THR A 226 107.926 -5.345 -11.033 1.00 0.00 H new ATOM 0 HG23 THR A 226 108.014 -3.610 -10.645 1.00 0.00 H new ATOM 1794 N ARG A 227 110.577 -7.192 -10.319 1.00 0.00 N ATOM 1795 CA ARG A 227 110.295 -8.614 -10.135 1.00 0.00 C ATOM 1796 C ARG A 227 110.584 -9.057 -8.707 1.00 0.00 C ATOM 1797 O ARG A 227 109.840 -9.853 -8.128 1.00 0.00 O ATOM 1798 CB ARG A 227 111.121 -9.447 -11.118 1.00 0.00 C ATOM 1799 CG ARG A 227 110.973 -10.951 -10.936 1.00 0.00 C ATOM 1800 CD ARG A 227 109.532 -11.405 -11.116 1.00 0.00 C ATOM 1801 NE ARG A 227 108.986 -10.994 -12.406 1.00 0.00 N ATOM 1802 CZ ARG A 227 107.747 -11.267 -12.802 1.00 0.00 C ATOM 1803 NH1 ARG A 227 106.931 -11.950 -12.011 1.00 0.00 N ATOM 1804 NH2 ARG A 227 107.323 -10.857 -13.990 1.00 0.00 N ATOM 0 H ARG A 227 111.222 -6.987 -11.082 1.00 0.00 H new ATOM 0 HA ARG A 227 109.234 -8.773 -10.330 1.00 0.00 H new ATOM 0 HB2 ARG A 227 110.829 -9.184 -12.135 1.00 0.00 H new ATOM 0 HB3 ARG A 227 112.172 -9.180 -11.009 1.00 0.00 H new ATOM 0 HG2 ARG A 227 111.609 -11.468 -11.655 1.00 0.00 H new ATOM 0 HG3 ARG A 227 111.321 -11.232 -9.942 1.00 0.00 H new ATOM 0 HD2 ARG A 227 109.480 -12.490 -11.030 1.00 0.00 H new ATOM 0 HD3 ARG A 227 108.919 -10.992 -10.315 1.00 0.00 H new ATOM 0 HE ARG A 227 109.589 -10.468 -13.039 1.00 0.00 H new ATOM 0 HH11 ARG A 227 107.254 -12.267 -11.097 1.00 0.00 H new ATOM 0 HH12 ARG A 227 105.980 -12.158 -12.317 1.00 0.00 H new ATOM 0 HH21 ARG A 227 107.948 -10.331 -14.601 1.00 0.00 H new ATOM 0 HH22 ARG A 227 106.372 -11.067 -14.293 1.00 0.00 H new ATOM 1818 N ASN A 228 111.651 -8.520 -8.135 1.00 0.00 N ATOM 1819 CA ASN A 228 112.016 -8.857 -6.769 1.00 0.00 C ATOM 1820 C ASN A 228 111.049 -8.190 -5.803 1.00 0.00 C ATOM 1821 O ASN A 228 110.672 -8.766 -4.782 1.00 0.00 O ATOM 1822 CB ASN A 228 113.454 -8.433 -6.467 1.00 0.00 C ATOM 1823 CG ASN A 228 113.869 -8.766 -5.047 1.00 0.00 C ATOM 1824 OD1 ASN A 228 113.266 -8.293 -4.084 1.00 0.00 O ATOM 1825 ND2 ASN A 228 114.905 -9.586 -4.911 1.00 0.00 N ATOM 0 H ASN A 228 112.274 -7.854 -8.592 1.00 0.00 H new ATOM 0 HA ASN A 228 111.955 -9.938 -6.647 1.00 0.00 H new ATOM 0 HB2 ASN A 228 114.130 -8.927 -7.165 1.00 0.00 H new ATOM 0 HB3 ASN A 228 113.555 -7.360 -6.630 1.00 0.00 H new ATOM 0 HD21 ASN A 228 115.230 -9.847 -3.980 1.00 0.00 H new ATOM 0 HD22 ASN A 228 115.375 -9.955 -5.737 1.00 0.00 H new ATOM 1832 N ILE A 229 110.636 -6.977 -6.148 1.00 0.00 N ATOM 1833 CA ILE A 229 109.693 -6.231 -5.330 1.00 0.00 C ATOM 1834 C ILE A 229 108.262 -6.738 -5.521 1.00 0.00 C ATOM 1835 O ILE A 229 107.520 -6.897 -4.552 1.00 0.00 O ATOM 1836 CB ILE A 229 109.768 -4.718 -5.626 1.00 0.00 C ATOM 1837 CG1 ILE A 229 111.075 -4.145 -5.069 1.00 0.00 C ATOM 1838 CG2 ILE A 229 108.568 -3.989 -5.034 1.00 0.00 C ATOM 1839 CD1 ILE A 229 111.197 -2.646 -5.218 1.00 0.00 C ATOM 0 H ILE A 229 110.941 -6.490 -6.991 1.00 0.00 H new ATOM 0 HA ILE A 229 109.975 -6.392 -4.289 1.00 0.00 H new ATOM 0 HB ILE A 229 109.748 -4.572 -6.706 1.00 0.00 H new ATOM 0 HG12 ILE A 229 111.153 -4.403 -4.013 1.00 0.00 H new ATOM 0 HG13 ILE A 229 111.914 -4.621 -5.576 1.00 0.00 H new ATOM 0 HG21 ILE A 229 108.643 -2.924 -5.256 1.00 0.00 H new ATOM 0 HG22 ILE A 229 107.651 -4.386 -5.468 1.00 0.00 H new ATOM 0 HG23 ILE A 229 108.551 -4.134 -3.954 1.00 0.00 H new ATOM 0 HD11 ILE A 229 112.148 -2.315 -4.801 1.00 0.00 H new ATOM 0 HD12 ILE A 229 111.152 -2.381 -6.274 1.00 0.00 H new ATOM 0 HD13 ILE A 229 110.379 -2.160 -4.687 1.00 0.00 H new ATOM 1851 N ASP A 230 107.872 -6.973 -6.774 1.00 0.00 N ATOM 1852 CA ASP A 230 106.519 -7.439 -7.076 1.00 0.00 C ATOM 1853 C ASP A 230 106.308 -8.883 -6.657 1.00 0.00 C ATOM 1854 O ASP A 230 105.179 -9.372 -6.684 1.00 0.00 O ATOM 1855 CB ASP A 230 106.184 -7.224 -8.563 1.00 0.00 C ATOM 1856 CG ASP A 230 105.496 -8.417 -9.205 1.00 0.00 C ATOM 1857 OD1 ASP A 230 104.390 -8.779 -8.759 1.00 0.00 O ATOM 1858 OD2 ASP A 230 106.069 -8.988 -10.156 1.00 0.00 O ATOM 0 H ASP A 230 108.470 -6.849 -7.591 1.00 0.00 H new ATOM 0 HA ASP A 230 105.826 -6.838 -6.487 1.00 0.00 H new ATOM 0 HB2 ASP A 230 105.542 -6.348 -8.660 1.00 0.00 H new ATOM 0 HB3 ASP A 230 107.103 -7.008 -9.107 1.00 0.00 H new ATOM 1863 N ALA A 231 107.364 -9.563 -6.231 1.00 0.00 N ATOM 1864 CA ALA A 231 107.209 -10.933 -5.771 1.00 0.00 C ATOM 1865 C ALA A 231 105.923 -11.047 -4.951 1.00 0.00 C ATOM 1866 O ALA A 231 105.318 -12.115 -4.861 1.00 0.00 O ATOM 1867 CB ALA A 231 108.414 -11.356 -4.943 1.00 0.00 C ATOM 0 H ALA A 231 108.316 -9.198 -6.195 1.00 0.00 H new ATOM 0 HA ALA A 231 107.144 -11.598 -6.632 1.00 0.00 H new ATOM 0 HB1 ALA A 231 108.281 -12.384 -4.607 1.00 0.00 H new ATOM 0 HB2 ALA A 231 109.316 -11.287 -5.551 1.00 0.00 H new ATOM 0 HB3 ALA A 231 108.509 -10.700 -4.077 1.00 0.00 H new ATOM 1873 N ALA A 232 105.518 -9.918 -4.357 1.00 0.00 N ATOM 1874 CA ALA A 232 104.307 -9.859 -3.541 1.00 0.00 C ATOM 1875 C ALA A 232 103.067 -9.601 -4.397 1.00 0.00 C ATOM 1876 O ALA A 232 102.002 -10.160 -4.135 1.00 0.00 O ATOM 1877 CB ALA A 232 104.450 -8.780 -2.477 1.00 0.00 C ATOM 0 H ALA A 232 106.016 -9.031 -4.429 1.00 0.00 H new ATOM 0 HA ALA A 232 104.178 -10.827 -3.056 1.00 0.00 H new ATOM 0 HB1 ALA A 232 103.543 -8.742 -1.873 1.00 0.00 H new ATOM 0 HB2 ALA A 232 105.303 -9.010 -1.838 1.00 0.00 H new ATOM 0 HB3 ALA A 232 104.607 -7.814 -2.957 1.00 0.00 H new ATOM 1883 N LYS A 233 103.216 -8.786 -5.444 1.00 0.00 N ATOM 1884 CA LYS A 233 102.109 -8.500 -6.355 1.00 0.00 C ATOM 1885 C LYS A 233 102.574 -7.590 -7.485 1.00 0.00 C ATOM 1886 O LYS A 233 103.377 -6.682 -7.266 1.00 0.00 O ATOM 1887 CB LYS A 233 100.918 -7.867 -5.614 1.00 0.00 C ATOM 1888 CG LYS A 233 101.088 -6.392 -5.257 1.00 0.00 C ATOM 1889 CD LYS A 233 100.788 -5.432 -6.416 1.00 0.00 C ATOM 1890 CE LYS A 233 99.410 -5.649 -7.029 1.00 0.00 C ATOM 1891 NZ LYS A 233 99.377 -6.819 -7.947 1.00 0.00 N ATOM 0 H LYS A 233 104.089 -8.315 -5.680 1.00 0.00 H new ATOM 0 HA LYS A 233 101.773 -9.447 -6.778 1.00 0.00 H new ATOM 0 HB2 LYS A 233 100.027 -7.975 -6.232 1.00 0.00 H new ATOM 0 HB3 LYS A 233 100.740 -8.429 -4.697 1.00 0.00 H new ATOM 0 HG2 LYS A 233 100.431 -6.153 -4.421 1.00 0.00 H new ATOM 0 HG3 LYS A 233 102.110 -6.226 -4.917 1.00 0.00 H new ATOM 0 HD2 LYS A 233 100.863 -4.405 -6.058 1.00 0.00 H new ATOM 0 HD3 LYS A 233 101.547 -5.556 -7.189 1.00 0.00 H new ATOM 0 HE2 LYS A 233 98.680 -5.794 -6.233 1.00 0.00 H new ATOM 0 HE3 LYS A 233 99.113 -4.754 -7.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 233 98.390 -7.093 -8.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 233 99.834 -6.567 -8.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 233 99.884 -7.616 -7.512 1.00 0.00 H new ATOM 1905 N PRO A 234 102.087 -7.817 -8.717 1.00 0.00 N ATOM 1906 CA PRO A 234 102.471 -7.001 -9.875 1.00 0.00 C ATOM 1907 C PRO A 234 101.828 -5.614 -9.848 1.00 0.00 C ATOM 1908 O PRO A 234 100.660 -5.471 -9.486 1.00 0.00 O ATOM 1909 CB PRO A 234 101.936 -7.814 -11.058 1.00 0.00 C ATOM 1910 CG PRO A 234 100.767 -8.547 -10.502 1.00 0.00 C ATOM 1911 CD PRO A 234 101.141 -8.890 -9.084 1.00 0.00 C ATOM 0 HA PRO A 234 103.544 -6.814 -9.911 1.00 0.00 H new ATOM 0 HB2 PRO A 234 101.643 -7.167 -11.885 1.00 0.00 H new ATOM 0 HB3 PRO A 234 102.690 -8.501 -11.442 1.00 0.00 H new ATOM 0 HG2 PRO A 234 99.868 -7.932 -10.532 1.00 0.00 H new ATOM 0 HG3 PRO A 234 100.557 -9.447 -11.081 1.00 0.00 H new ATOM 0 HD2 PRO A 234 100.270 -8.901 -8.429 1.00 0.00 H new ATOM 0 HD3 PRO A 234 101.603 -9.875 -9.016 1.00 0.00 H new ATOM 1919 N GLY A 235 102.587 -4.598 -10.254 1.00 0.00 N ATOM 1920 CA GLY A 235 102.064 -3.241 -10.292 1.00 0.00 C ATOM 1921 C GLY A 235 102.261 -2.471 -8.998 1.00 0.00 C ATOM 1922 O GLY A 235 102.062 -1.257 -8.963 1.00 0.00 O ATOM 0 H GLY A 235 103.556 -4.690 -10.558 1.00 0.00 H new ATOM 0 HA2 GLY A 235 102.548 -2.698 -11.104 1.00 0.00 H new ATOM 0 HA3 GLY A 235 100.999 -3.278 -10.523 1.00 0.00 H new ATOM 1926 N LEU A 236 102.634 -3.165 -7.929 1.00 0.00 N ATOM 1927 CA LEU A 236 102.827 -2.510 -6.638 1.00 0.00 C ATOM 1928 C LEU A 236 103.758 -1.309 -6.758 1.00 0.00 C ATOM 1929 O LEU A 236 103.526 -0.268 -6.144 1.00 0.00 O ATOM 1930 CB LEU A 236 103.402 -3.484 -5.607 1.00 0.00 C ATOM 1931 CG LEU A 236 104.930 -3.529 -5.526 1.00 0.00 C ATOM 1932 CD1 LEU A 236 105.379 -4.440 -4.384 1.00 0.00 C ATOM 1933 CD2 LEU A 236 105.530 -3.963 -6.862 1.00 0.00 C ATOM 0 H LEU A 236 102.808 -4.170 -7.928 1.00 0.00 H new ATOM 0 HA LEU A 236 101.846 -2.169 -6.306 1.00 0.00 H new ATOM 0 HB2 LEU A 236 103.011 -3.219 -4.625 1.00 0.00 H new ATOM 0 HB3 LEU A 236 103.038 -4.485 -5.836 1.00 0.00 H new ATOM 0 HG LEU A 236 105.298 -2.525 -5.313 1.00 0.00 H new ATOM 0 HD11 LEU A 236 106.468 -4.460 -4.341 1.00 0.00 H new ATOM 0 HD12 LEU A 236 104.986 -4.061 -3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 236 105.004 -5.449 -4.555 1.00 0.00 H new ATOM 0 HD21 LEU A 236 106.617 -3.988 -6.782 1.00 0.00 H new ATOM 0 HD22 LEU A 236 105.162 -4.956 -7.121 1.00 0.00 H new ATOM 0 HD23 LEU A 236 105.240 -3.255 -7.638 1.00 0.00 H new ATOM 1945 N ALA A 237 104.820 -1.471 -7.538 1.00 0.00 N ATOM 1946 CA ALA A 237 105.805 -0.416 -7.728 1.00 0.00 C ATOM 1947 C ALA A 237 105.152 0.868 -8.235 1.00 0.00 C ATOM 1948 O ALA A 237 105.411 1.954 -7.721 1.00 0.00 O ATOM 1949 CB ALA A 237 106.897 -0.895 -8.676 1.00 0.00 C ATOM 0 H ALA A 237 105.021 -2.329 -8.052 1.00 0.00 H new ATOM 0 HA ALA A 237 106.258 -0.184 -6.764 1.00 0.00 H new ATOM 0 HB1 ALA A 237 107.632 -0.102 -8.815 1.00 0.00 H new ATOM 0 HB2 ALA A 237 107.386 -1.773 -8.254 1.00 0.00 H new ATOM 0 HB3 ALA A 237 106.456 -1.153 -9.639 1.00 0.00 H new ATOM 1955 N ALA A 238 104.305 0.741 -9.242 1.00 0.00 N ATOM 1956 CA ALA A 238 103.615 1.899 -9.796 1.00 0.00 C ATOM 1957 C ALA A 238 102.598 2.470 -8.806 1.00 0.00 C ATOM 1958 O ALA A 238 102.455 3.685 -8.678 1.00 0.00 O ATOM 1959 CB ALA A 238 102.941 1.540 -11.112 1.00 0.00 C ATOM 0 H ALA A 238 104.078 -0.146 -9.692 1.00 0.00 H new ATOM 0 HA ALA A 238 104.360 2.671 -9.987 1.00 0.00 H new ATOM 0 HB1 ALA A 238 102.431 2.417 -11.511 1.00 0.00 H new ATOM 0 HB2 ALA A 238 103.693 1.202 -11.825 1.00 0.00 H new ATOM 0 HB3 ALA A 238 102.216 0.744 -10.944 1.00 0.00 H new ATOM 1965 N TYR A 239 101.877 1.573 -8.134 1.00 0.00 N ATOM 1966 CA TYR A 239 100.833 1.943 -7.173 1.00 0.00 C ATOM 1967 C TYR A 239 101.395 2.670 -5.948 1.00 0.00 C ATOM 1968 O TYR A 239 100.759 3.568 -5.395 1.00 0.00 O ATOM 1969 CB TYR A 239 100.119 0.673 -6.714 1.00 0.00 C ATOM 1970 CG TYR A 239 98.917 0.916 -5.830 1.00 0.00 C ATOM 1971 CD1 TYR A 239 97.721 1.382 -6.364 1.00 0.00 C ATOM 1972 CD2 TYR A 239 98.976 0.678 -4.462 1.00 0.00 C ATOM 1973 CE1 TYR A 239 96.619 1.601 -5.559 1.00 0.00 C ATOM 1974 CE2 TYR A 239 97.879 0.896 -3.652 1.00 0.00 C ATOM 1975 CZ TYR A 239 96.704 1.356 -4.205 1.00 0.00 C ATOM 1976 OH TYR A 239 95.610 1.574 -3.400 1.00 0.00 O ATOM 0 H TYR A 239 101.999 0.566 -8.240 1.00 0.00 H new ATOM 0 HA TYR A 239 100.147 2.627 -7.673 1.00 0.00 H new ATOM 0 HB2 TYR A 239 99.801 0.112 -7.593 1.00 0.00 H new ATOM 0 HB3 TYR A 239 100.830 0.046 -6.176 1.00 0.00 H new ATOM 0 HD1 TYR A 239 97.652 1.576 -7.424 1.00 0.00 H new ATOM 0 HD2 TYR A 239 99.895 0.317 -4.025 1.00 0.00 H new ATOM 0 HE1 TYR A 239 95.696 1.962 -5.988 1.00 0.00 H new ATOM 0 HE2 TYR A 239 97.942 0.707 -2.591 1.00 0.00 H new ATOM 0 HH TYR A 239 94.797 1.291 -3.869 1.00 0.00 H new ATOM 1986 N MET A 240 102.586 2.262 -5.529 1.00 0.00 N ATOM 1987 CA MET A 240 103.241 2.859 -4.367 1.00 0.00 C ATOM 1988 C MET A 240 103.740 4.266 -4.671 1.00 0.00 C ATOM 1989 O MET A 240 103.567 5.182 -3.869 1.00 0.00 O ATOM 1990 CB MET A 240 104.414 1.989 -3.900 1.00 0.00 C ATOM 1991 CG MET A 240 105.509 1.810 -4.927 1.00 0.00 C ATOM 1992 SD MET A 240 106.852 0.761 -4.338 1.00 0.00 S ATOM 1993 CE MET A 240 107.466 1.720 -2.955 1.00 0.00 C ATOM 0 H MET A 240 103.121 1.518 -5.977 1.00 0.00 H new ATOM 0 HA MET A 240 102.498 2.919 -3.572 1.00 0.00 H new ATOM 0 HB2 MET A 240 104.844 2.433 -3.002 1.00 0.00 H new ATOM 0 HB3 MET A 240 104.033 1.007 -3.619 1.00 0.00 H new ATOM 0 HG2 MET A 240 105.085 1.376 -5.832 1.00 0.00 H new ATOM 0 HG3 MET A 240 105.909 2.787 -5.199 1.00 0.00 H new ATOM 0 HE1 MET A 240 108.542 1.576 -2.861 1.00 0.00 H new ATOM 0 HE2 MET A 240 107.255 2.776 -3.122 1.00 0.00 H new ATOM 0 HE3 MET A 240 106.975 1.392 -2.039 1.00 0.00 H new ATOM 2003 N ARG A 241 104.380 4.429 -5.826 1.00 0.00 N ATOM 2004 CA ARG A 241 104.930 5.723 -6.217 1.00 0.00 C ATOM 2005 C ARG A 241 103.884 6.827 -6.167 1.00 0.00 C ATOM 2006 O ARG A 241 104.118 7.902 -5.617 1.00 0.00 O ATOM 2007 CB ARG A 241 105.503 5.642 -7.631 1.00 0.00 C ATOM 2008 CG ARG A 241 105.832 7.006 -8.223 1.00 0.00 C ATOM 2009 CD ARG A 241 104.707 7.546 -9.097 1.00 0.00 C ATOM 2010 NE ARG A 241 104.367 6.631 -10.183 1.00 0.00 N ATOM 2011 CZ ARG A 241 105.207 6.298 -11.159 1.00 0.00 C ATOM 2012 NH1 ARG A 241 106.425 6.824 -11.197 1.00 0.00 N ATOM 2013 NH2 ARG A 241 104.829 5.445 -12.100 1.00 0.00 N ATOM 0 H ARG A 241 104.530 3.683 -6.506 1.00 0.00 H new ATOM 0 HA ARG A 241 105.717 5.968 -5.504 1.00 0.00 H new ATOM 0 HB2 ARG A 241 106.406 5.032 -7.616 1.00 0.00 H new ATOM 0 HB3 ARG A 241 104.787 5.135 -8.278 1.00 0.00 H new ATOM 0 HG2 ARG A 241 106.032 7.711 -7.416 1.00 0.00 H new ATOM 0 HG3 ARG A 241 106.744 6.932 -8.815 1.00 0.00 H new ATOM 0 HD2 ARG A 241 103.824 7.722 -8.483 1.00 0.00 H new ATOM 0 HD3 ARG A 241 105.003 8.509 -9.514 1.00 0.00 H new ATOM 0 HE ARG A 241 103.432 6.224 -10.194 1.00 0.00 H new ATOM 0 HH11 ARG A 241 106.718 7.485 -10.477 1.00 0.00 H new ATOM 0 HH12 ARG A 241 107.068 6.568 -11.946 1.00 0.00 H new ATOM 0 HH21 ARG A 241 103.892 5.042 -12.077 1.00 0.00 H new ATOM 0 HH22 ARG A 241 105.475 5.191 -12.848 1.00 0.00 H new ATOM 2027 N ASP A 242 102.735 6.543 -6.758 1.00 0.00 N ATOM 2028 CA ASP A 242 101.636 7.501 -6.803 1.00 0.00 C ATOM 2029 C ASP A 242 101.107 7.773 -5.400 1.00 0.00 C ATOM 2030 O ASP A 242 100.804 8.915 -5.055 1.00 0.00 O ATOM 2031 CB ASP A 242 100.525 7.011 -7.739 1.00 0.00 C ATOM 2032 CG ASP A 242 100.120 5.579 -7.480 1.00 0.00 C ATOM 2033 OD1 ASP A 242 101.018 4.724 -7.371 1.00 0.00 O ATOM 2034 OD2 ASP A 242 98.904 5.310 -7.416 1.00 0.00 O ATOM 0 H ASP A 242 102.536 5.654 -7.216 1.00 0.00 H new ATOM 0 HA ASP A 242 102.011 8.442 -7.205 1.00 0.00 H new ATOM 0 HB2 ASP A 242 99.653 7.655 -7.626 1.00 0.00 H new ATOM 0 HB3 ASP A 242 100.860 7.106 -8.772 1.00 0.00 H new ATOM 2039 N ALA A 243 101.029 6.729 -4.584 1.00 0.00 N ATOM 2040 CA ALA A 243 100.572 6.882 -3.210 1.00 0.00 C ATOM 2041 C ALA A 243 101.525 7.803 -2.459 1.00 0.00 C ATOM 2042 O ALA A 243 101.106 8.668 -1.690 1.00 0.00 O ATOM 2043 CB ALA A 243 100.479 5.531 -2.519 1.00 0.00 C ATOM 0 H ALA A 243 101.274 5.775 -4.848 1.00 0.00 H new ATOM 0 HA ALA A 243 99.575 7.324 -3.214 1.00 0.00 H new ATOM 0 HB1 ALA A 243 100.136 5.670 -1.494 1.00 0.00 H new ATOM 0 HB2 ALA A 243 99.774 4.896 -3.055 1.00 0.00 H new ATOM 0 HB3 ALA A 243 101.461 5.058 -2.512 1.00 0.00 H new ATOM 2049 N ILE A 244 102.815 7.613 -2.716 1.00 0.00 N ATOM 2050 CA ILE A 244 103.861 8.422 -2.103 1.00 0.00 C ATOM 2051 C ILE A 244 103.887 9.811 -2.713 1.00 0.00 C ATOM 2052 O ILE A 244 104.067 10.807 -2.012 1.00 0.00 O ATOM 2053 CB ILE A 244 105.247 7.787 -2.315 1.00 0.00 C ATOM 2054 CG1 ILE A 244 105.327 6.411 -1.653 1.00 0.00 C ATOM 2055 CG2 ILE A 244 106.336 8.703 -1.775 1.00 0.00 C ATOM 2056 CD1 ILE A 244 106.581 5.643 -2.011 1.00 0.00 C ATOM 0 H ILE A 244 103.163 6.896 -3.353 1.00 0.00 H new ATOM 0 HA ILE A 244 103.639 8.480 -1.037 1.00 0.00 H new ATOM 0 HB ILE A 244 105.401 7.655 -3.386 1.00 0.00 H new ATOM 0 HG12 ILE A 244 105.282 6.534 -0.571 1.00 0.00 H new ATOM 0 HG13 ILE A 244 104.455 5.825 -1.944 1.00 0.00 H new ATOM 0 HG21 ILE A 244 107.311 8.241 -1.932 1.00 0.00 H new ATOM 0 HG22 ILE A 244 106.299 9.659 -2.297 1.00 0.00 H new ATOM 0 HG23 ILE A 244 106.179 8.866 -0.709 1.00 0.00 H new ATOM 0 HD11 ILE A 244 106.572 4.677 -1.507 1.00 0.00 H new ATOM 0 HD12 ILE A 244 106.618 5.489 -3.089 1.00 0.00 H new ATOM 0 HD13 ILE A 244 107.457 6.209 -1.695 1.00 0.00 H new ATOM 2068 N LEU A 245 103.721 9.870 -4.025 1.00 0.00 N ATOM 2069 CA LEU A 245 103.742 11.134 -4.729 1.00 0.00 C ATOM 2070 C LEU A 245 102.683 12.068 -4.168 1.00 0.00 C ATOM 2071 O LEU A 245 102.958 13.222 -3.844 1.00 0.00 O ATOM 2072 CB LEU A 245 103.516 10.901 -6.226 1.00 0.00 C ATOM 2073 CG LEU A 245 103.735 12.121 -7.124 1.00 0.00 C ATOM 2074 CD1 LEU A 245 102.723 13.216 -6.815 1.00 0.00 C ATOM 2075 CD2 LEU A 245 105.158 12.642 -6.967 1.00 0.00 C ATOM 0 H LEU A 245 103.571 9.055 -4.620 1.00 0.00 H new ATOM 0 HA LEU A 245 104.717 11.601 -4.591 1.00 0.00 H new ATOM 0 HB2 LEU A 245 104.182 10.104 -6.556 1.00 0.00 H new ATOM 0 HB3 LEU A 245 102.496 10.544 -6.370 1.00 0.00 H new ATOM 0 HG LEU A 245 103.588 11.815 -8.160 1.00 0.00 H new ATOM 0 HD11 LEU A 245 102.901 14.071 -7.467 1.00 0.00 H new ATOM 0 HD12 LEU A 245 101.715 12.837 -6.981 1.00 0.00 H new ATOM 0 HD13 LEU A 245 102.828 13.525 -5.775 1.00 0.00 H new ATOM 0 HD21 LEU A 245 105.301 13.510 -7.611 1.00 0.00 H new ATOM 0 HD22 LEU A 245 105.328 12.928 -5.929 1.00 0.00 H new ATOM 0 HD23 LEU A 245 105.864 11.861 -7.248 1.00 0.00 H new ATOM 2087 N ALA A 246 101.471 11.546 -4.041 1.00 0.00 N ATOM 2088 CA ALA A 246 100.358 12.318 -3.503 1.00 0.00 C ATOM 2089 C ALA A 246 100.639 12.715 -2.061 1.00 0.00 C ATOM 2090 O ALA A 246 100.442 13.864 -1.666 1.00 0.00 O ATOM 2091 CB ALA A 246 99.066 11.520 -3.593 1.00 0.00 C ATOM 0 H ALA A 246 101.233 10.590 -4.303 1.00 0.00 H new ATOM 0 HA ALA A 246 100.245 13.225 -4.097 1.00 0.00 H new ATOM 0 HB1 ALA A 246 98.245 12.111 -3.187 1.00 0.00 H new ATOM 0 HB2 ALA A 246 98.859 11.279 -4.636 1.00 0.00 H new ATOM 0 HB3 ALA A 246 99.167 10.598 -3.021 1.00 0.00 H new ATOM 2097 N ASN A 247 101.112 11.751 -1.284 1.00 0.00 N ATOM 2098 CA ASN A 247 101.439 11.976 0.114 1.00 0.00 C ATOM 2099 C ASN A 247 102.423 13.134 0.265 1.00 0.00 C ATOM 2100 O ASN A 247 102.257 13.992 1.129 1.00 0.00 O ATOM 2101 CB ASN A 247 102.030 10.697 0.704 1.00 0.00 C ATOM 2102 CG ASN A 247 102.516 10.875 2.128 1.00 0.00 C ATOM 2103 OD1 ASN A 247 101.781 11.351 2.993 1.00 0.00 O ATOM 2104 ND2 ASN A 247 103.757 10.474 2.382 1.00 0.00 N ATOM 0 H ASN A 247 101.279 10.797 -1.604 1.00 0.00 H new ATOM 0 HA ASN A 247 100.529 12.240 0.652 1.00 0.00 H new ATOM 0 HB2 ASN A 247 101.277 9.909 0.678 1.00 0.00 H new ATOM 0 HB3 ASN A 247 102.860 10.365 0.081 1.00 0.00 H new ATOM 0 HD21 ASN A 247 104.136 10.555 3.325 1.00 0.00 H new ATOM 0 HD22 ASN A 247 104.331 10.085 1.634 1.00 0.00 H new ATOM 2111 N ALA A 248 103.454 13.145 -0.573 1.00 0.00 N ATOM 2112 CA ALA A 248 104.469 14.193 -0.526 1.00 0.00 C ATOM 2113 C ALA A 248 103.893 15.554 -0.924 1.00 0.00 C ATOM 2114 O ALA A 248 104.351 16.597 -0.458 1.00 0.00 O ATOM 2115 CB ALA A 248 105.631 13.826 -1.441 1.00 0.00 C ATOM 0 H ALA A 248 103.610 12.440 -1.294 1.00 0.00 H new ATOM 0 HA ALA A 248 104.825 14.273 0.501 1.00 0.00 H new ATOM 0 HB1 ALA A 248 106.386 14.611 -1.403 1.00 0.00 H new ATOM 0 HB2 ALA A 248 106.070 12.884 -1.112 1.00 0.00 H new ATOM 0 HB3 ALA A 248 105.269 13.720 -2.464 1.00 0.00 H new ATOM 2121 N VAL A 249 102.899 15.525 -1.806 1.00 0.00 N ATOM 2122 CA VAL A 249 102.259 16.744 -2.301 1.00 0.00 C ATOM 2123 C VAL A 249 101.548 17.528 -1.198 1.00 0.00 C ATOM 2124 O VAL A 249 101.664 18.752 -1.133 1.00 0.00 O ATOM 2125 CB VAL A 249 101.247 16.433 -3.421 1.00 0.00 C ATOM 2126 CG1 VAL A 249 100.486 17.691 -3.816 1.00 0.00 C ATOM 2127 CG2 VAL A 249 101.955 15.829 -4.633 1.00 0.00 C ATOM 0 H VAL A 249 102.515 14.664 -2.197 1.00 0.00 H new ATOM 0 HA VAL A 249 103.067 17.361 -2.694 1.00 0.00 H new ATOM 0 HB VAL A 249 100.531 15.702 -3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 249 99.776 17.453 -4.608 1.00 0.00 H new ATOM 0 HG12 VAL A 249 99.948 18.078 -2.950 1.00 0.00 H new ATOM 0 HG13 VAL A 249 101.188 18.444 -4.173 1.00 0.00 H new ATOM 0 HG21 VAL A 249 101.224 15.616 -5.413 1.00 0.00 H new ATOM 0 HG22 VAL A 249 102.694 16.535 -5.012 1.00 0.00 H new ATOM 0 HG23 VAL A 249 102.453 14.904 -4.340 1.00 0.00 H new ATOM 2137 N ARG A 250 100.810 16.834 -0.336 1.00 0.00 N ATOM 2138 CA ARG A 250 100.093 17.502 0.740 1.00 0.00 C ATOM 2139 C ARG A 250 101.056 18.209 1.689 1.00 0.00 C ATOM 2140 O ARG A 250 100.647 19.052 2.488 1.00 0.00 O ATOM 2141 CB ARG A 250 99.220 16.511 1.509 1.00 0.00 C ATOM 2142 CG ARG A 250 99.948 15.247 1.923 1.00 0.00 C ATOM 2143 CD ARG A 250 99.186 14.496 3.000 1.00 0.00 C ATOM 2144 NE ARG A 250 97.816 14.198 2.597 1.00 0.00 N ATOM 2145 CZ ARG A 250 96.928 13.604 3.388 1.00 0.00 C ATOM 2146 NH1 ARG A 250 97.270 13.241 4.616 1.00 0.00 N ATOM 2147 NH2 ARG A 250 95.697 13.372 2.950 1.00 0.00 N ATOM 0 H ARG A 250 100.695 15.821 -0.362 1.00 0.00 H new ATOM 0 HA ARG A 250 99.447 18.255 0.289 1.00 0.00 H new ATOM 0 HB2 ARG A 250 98.828 17.002 2.400 1.00 0.00 H new ATOM 0 HB3 ARG A 250 98.364 16.240 0.891 1.00 0.00 H new ATOM 0 HG2 ARG A 250 100.083 14.602 1.055 1.00 0.00 H new ATOM 0 HG3 ARG A 250 100.943 15.502 2.289 1.00 0.00 H new ATOM 0 HD2 ARG A 250 99.706 13.566 3.230 1.00 0.00 H new ATOM 0 HD3 ARG A 250 99.173 15.089 3.915 1.00 0.00 H new ATOM 0 HE ARG A 250 97.523 14.460 1.656 1.00 0.00 H new ATOM 0 HH11 ARG A 250 98.216 13.417 4.955 1.00 0.00 H new ATOM 0 HH12 ARG A 250 96.588 12.785 5.222 1.00 0.00 H new ATOM 0 HH21 ARG A 250 95.431 13.650 2.005 1.00 0.00 H new ATOM 0 HH22 ARG A 250 95.017 12.916 3.558 1.00 0.00 H new ATOM 2161 N HIS A 251 102.341 17.877 1.584 1.00 0.00 N ATOM 2162 CA HIS A 251 103.362 18.505 2.422 1.00 0.00 C ATOM 2163 C HIS A 251 104.072 19.608 1.644 1.00 0.00 C ATOM 2164 O HIS A 251 104.306 20.698 2.165 1.00 0.00 O ATOM 2165 CB HIS A 251 104.384 17.478 2.918 1.00 0.00 C ATOM 2166 CG HIS A 251 103.780 16.341 3.679 1.00 0.00 C ATOM 2167 ND1 HIS A 251 103.014 15.364 3.087 1.00 0.00 N ATOM 2168 CD2 HIS A 251 103.826 16.032 4.998 1.00 0.00 C ATOM 2169 CE1 HIS A 251 102.613 14.502 4.003 1.00 0.00 C ATOM 2170 NE2 HIS A 251 103.093 14.884 5.172 1.00 0.00 N ATOM 0 H HIS A 251 102.699 17.180 0.931 1.00 0.00 H new ATOM 0 HA HIS A 251 102.864 18.936 3.291 1.00 0.00 H new ATOM 0 HB2 HIS A 251 104.930 17.080 2.062 1.00 0.00 H new ATOM 0 HB3 HIS A 251 105.112 17.982 3.554 1.00 0.00 H new ATOM 0 HD1 HIS A 251 102.790 15.313 2.093 1.00 0.00 H new ATOM 0 HD2 HIS A 251 104.343 16.585 5.768 1.00 0.00 H new ATOM 0 HE1 HIS A 251 101.997 13.633 3.826 1.00 0.00 H new ATOM 2179 N THR A 252 104.405 19.315 0.391 1.00 0.00 N ATOM 2180 CA THR A 252 105.083 20.278 -0.468 1.00 0.00 C ATOM 2181 C THR A 252 104.379 21.637 -0.418 1.00 0.00 C ATOM 2182 O THR A 252 103.284 21.790 -0.956 1.00 0.00 O ATOM 2183 CB THR A 252 105.114 19.767 -1.909 1.00 0.00 C ATOM 2184 OG1 THR A 252 105.806 18.534 -1.988 1.00 0.00 O ATOM 2185 CG2 THR A 252 105.779 20.729 -2.870 1.00 0.00 C ATOM 0 H THR A 252 104.216 18.416 -0.052 1.00 0.00 H new ATOM 0 HA THR A 252 106.104 20.399 -0.106 1.00 0.00 H new ATOM 0 HB THR A 252 104.069 19.653 -2.199 1.00 0.00 H new ATOM 0 HG1 THR A 252 105.278 17.834 -1.550 1.00 0.00 H new ATOM 0 HG21 THR A 252 105.768 20.306 -3.874 1.00 0.00 H new ATOM 0 HG22 THR A 252 105.239 21.676 -2.869 1.00 0.00 H new ATOM 0 HG23 THR A 252 106.810 20.899 -2.560 1.00 0.00 H new ATOM 2193 N PRO A 253 104.993 22.648 0.230 1.00 0.00 N ATOM 2194 CA PRO A 253 104.402 23.985 0.333 1.00 0.00 C ATOM 2195 C PRO A 253 103.831 24.472 -0.995 1.00 0.00 C ATOM 2196 O PRO A 253 104.189 23.892 -2.041 1.00 0.00 O ATOM 2197 CB PRO A 253 105.585 24.852 0.767 1.00 0.00 C ATOM 2198 CG PRO A 253 106.445 23.929 1.557 1.00 0.00 C ATOM 2199 CD PRO A 253 106.305 22.574 0.909 1.00 0.00 C ATOM 2200 OXT PRO A 253 103.030 25.430 -0.976 1.00 0.00 O ATOM 0 HA PRO A 253 103.559 24.013 1.023 1.00 0.00 H new ATOM 0 HB2 PRO A 253 106.119 25.256 -0.093 1.00 0.00 H new ATOM 0 HB3 PRO A 253 105.257 25.702 1.366 1.00 0.00 H new ATOM 0 HG2 PRO A 253 107.483 24.260 1.549 1.00 0.00 H new ATOM 0 HG3 PRO A 253 106.129 23.897 2.600 1.00 0.00 H new ATOM 0 HD2 PRO A 253 107.112 22.382 0.202 1.00 0.00 H new ATOM 0 HD3 PRO A 253 106.330 21.772 1.647 1.00 0.00 H new TER 2208 PRO A 253 ATOM 2209 CA SER B 501 120.174 5.456 0.071 1.00 0.00 C ATOM 2210 C SER B 501 120.560 4.245 0.772 1.00 0.00 C ATOM 2211 CB SER B 501 120.851 6.622 0.282 1.00 0.00 C HETATM 2213 N BB9 B 502 120.725 2.992 0.269 1.00 0.00 N HETATM 2214 CA BB9 B 502 121.214 2.093 1.233 1.00 0.00 C HETATM 2215 C BB9 B 502 121.387 0.701 0.950 1.00 0.00 C HETATM 2216 O BB9 B 502 121.830 -0.070 1.797 1.00 0.00 O HETATM 2217 CB BB9 B 502 121.408 2.674 2.437 1.00 0.00 C HETATM 2218 SG BB9 B 502 120.986 4.305 2.381 1.00 0.00 S HETATM 0 HN1 BB9 B 502 120.482 2.658 -0.663 1.00 0.00 H new HETATM 0 HB BB9 B 502 121.785 2.160 3.321 1.00 0.00 H new ATOM 2220 N VAL B 503 121.011 0.316 -0.269 1.00 0.00 N ATOM 2221 CA VAL B 503 121.076 -1.064 -0.748 1.00 0.00 C ATOM 2222 C VAL B 503 120.712 -1.074 -2.233 1.00 0.00 C ATOM 2223 O VAL B 503 120.264 -0.056 -2.759 1.00 0.00 O ATOM 2224 CB VAL B 503 120.097 -2.001 0.013 1.00 0.00 C ATOM 2225 CG1 VAL B 503 120.189 -3.425 -0.518 1.00 0.00 C ATOM 2226 CG2 VAL B 503 120.353 -2.002 1.514 1.00 0.00 C ATOM 0 H VAL B 503 120.646 0.967 -0.964 1.00 0.00 H new ATOM 0 HA VAL B 503 122.087 -1.434 -0.577 1.00 0.00 H new ATOM 0 HB VAL B 503 119.094 -1.612 -0.159 1.00 0.00 H new ATOM 0 HG11 VAL B 503 119.495 -4.063 0.029 1.00 0.00 H new ATOM 0 HG12 VAL B 503 119.933 -3.436 -1.577 1.00 0.00 H new ATOM 0 HG13 VAL B 503 121.205 -3.797 -0.387 1.00 0.00 H new ATOM 0 HG21 VAL B 503 119.645 -2.671 2.003 1.00 0.00 H new ATOM 0 HG22 VAL B 503 121.369 -2.344 1.710 1.00 0.00 H new ATOM 0 HG23 VAL B 503 120.228 -0.992 1.905 1.00 0.00 H new ATOM 2236 N GLY B 504 120.906 -2.200 -2.916 1.00 0.00 N ATOM 2237 CA GLY B 504 120.588 -2.261 -4.333 1.00 0.00 C ATOM 2238 C GLY B 504 119.716 -3.365 -4.667 1.00 0.00 C ATOM 0 H GLY B 504 121.274 -3.064 -2.518 1.00 0.00 H new ATOM 0 HA2 GLY B 504 120.115 -1.327 -4.634 1.00 0.00 H new ATOM 0 HA3 GLY B 504 121.512 -2.349 -4.904 1.00 0.00 H new HETATM 2242 N MOZ B 505 118.456 -3.391 -4.180 1.00 0.00 N HETATM 2243 OG MOZ B 505 119.939 -4.501 -5.394 1.00 0.00 O HETATM 2244 CA MOZ B 505 117.883 -4.604 -4.619 1.00 0.00 C HETATM 2245 CB MOZ B 505 118.764 -5.281 -5.357 1.00 0.00 C HETATM 2246 C MOZ B 505 116.461 -4.863 -4.134 1.00 0.00 C HETATM 2247 O MOZ B 505 115.901 -5.913 -4.454 1.00 0.00 O HETATM 2248 C6 MOZ B 505 118.689 -6.596 -6.072 1.00 0.00 C ATOM 2252 N ALA B 506 115.893 -3.907 -3.408 1.00 0.00 N ATOM 2253 CA ALA B 506 114.539 -3.997 -2.873 1.00 0.00 C ATOM 2254 C ALA B 506 114.072 -2.754 -2.086 1.00 0.00 C ATOM 2255 CB ALA B 506 114.421 -5.232 -1.992 1.00 0.00 C ATOM 0 H ALA B 506 116.367 -3.035 -3.171 1.00 0.00 H new ATOM 0 HA ALA B 506 113.881 -4.063 -3.740 1.00 0.00 H new ATOM 0 HB1 ALA B 506 113.409 -5.299 -1.593 1.00 0.00 H new ATOM 0 HB2 ALA B 506 114.637 -6.122 -2.583 1.00 0.00 H new ATOM 0 HB3 ALA B 506 115.132 -5.161 -1.169 1.00 0.00 H new HETATM 2261 N BB9 B 507 114.828 -1.789 -1.461 1.00 0.00 N HETATM 2262 CA BB9 B 507 114.018 -0.796 -0.836 1.00 0.00 C HETATM 2263 C BB9 B 507 114.470 0.370 -0.107 1.00 0.00 C HETATM 2264 O BB9 B 507 113.654 1.156 0.374 1.00 0.00 O HETATM 2265 CB BB9 B 507 112.698 -1.054 -1.011 1.00 0.00 C HETATM 2266 SG BB9 B 507 112.445 -2.456 -1.912 1.00 0.00 S HETATM 0 HN1 BB9 B 507 115.845 -1.718 -1.420 1.00 0.00 H new HETATM 0 HB BB9 B 507 111.897 -0.429 -0.616 1.00 0.00 H new ATOM 2268 N ALA B 508 115.784 0.553 0.037 1.00 0.00 N ATOM 2269 CA ALA B 508 116.324 1.701 0.762 1.00 0.00 C ATOM 2270 C ALA B 508 117.061 2.671 -0.146 1.00 0.00 C ATOM 2271 CB ALA B 508 117.227 1.259 1.906 1.00 0.00 C ATOM 0 H ALA B 508 116.491 -0.079 -0.339 1.00 0.00 H new ATOM 0 HA ALA B 508 115.466 2.231 1.177 1.00 0.00 H new ATOM 0 HB1 ALA B 508 117.612 2.136 2.425 1.00 0.00 H new ATOM 0 HB2 ALA B 508 116.657 0.646 2.604 1.00 0.00 H new ATOM 0 HB3 ALA B 508 118.059 0.678 1.509 1.00 0.00 H new HETATM 2277 N MOZ B 509 117.982 3.564 0.217 1.00 0.00 N HETATM 2278 OG MOZ B 509 116.782 2.770 -1.485 1.00 0.00 O HETATM 2279 CA MOZ B 509 118.290 4.268 -0.944 1.00 0.00 C HETATM 2280 CB MOZ B 509 117.598 3.818 -1.972 1.00 0.00 C HETATM 2281 C MOZ B 509 119.201 5.441 -0.884 1.00 0.00 C HETATM 2282 C6 MOZ B 509 117.589 4.283 -3.388 1.00 0.00 C HETATM 2286 CAF NAK B 510 119.091 8.846 -2.131 1.00 0.00 C HETATM 2287 OAD NAK B 510 119.493 9.952 -1.775 1.00 0.00 O HETATM 2288 CAG NAK B 510 119.634 7.666 -1.399 1.00 0.00 C HETATM 2289 CAE NAK B 510 120.598 7.749 -0.445 1.00 0.00 C HETATM 2290 NAB NAK B 510 118.939 6.530 -1.635 1.00 0.00 N HETATM 0 HAE3 NAK B 510 121.501 8.182 -0.876 1.00 0.00 H new HETATM 0 HAE2 NAK B 510 120.248 8.380 0.372 1.00 0.00 H new HETATM 0 HAB1 NAK B 510 118.134 6.545 -2.261 1.00 0.00 H new ATOM 2292 N ALA B 511 119.120 8.589 -3.417 1.00 0.00 N ATOM 2293 CA ALA B 511 118.586 9.519 -4.407 1.00 0.00 C ATOM 2294 C ALA B 511 119.066 10.952 -4.170 1.00 0.00 C ATOM 2295 O ALA B 511 118.320 11.908 -4.382 1.00 0.00 O ATOM 2296 CB ALA B 511 117.060 9.460 -4.325 1.00 0.00 C ATOM 0 HA ALA B 511 118.941 9.228 -5.396 1.00 0.00 H new ATOM 0 HB1 ALA B 511 116.630 10.146 -5.055 1.00 0.00 H new ATOM 0 HB2 ALA B 511 116.723 8.445 -4.538 1.00 0.00 H new ATOM 0 HB3 ALA B 511 116.738 9.747 -3.324 1.00 0.00 H new HETATM 2301 N NH2 B 512 120.309 11.104 -3.733 1.00 0.00 N TER 2304 NH2 B 512