USER MOD reduce.3.24.130724 H: found=0, std=0, add=1088, rem=0, adj=30 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 247 ASN : amide:sc= -0.078 K(o=-1.9,f=-19!) USER MOD Set 1.2: A 251 HIS : no HE2:sc= -1.86 K(o=-1.9,f=-6.4!) USER MOD Set 2.1: A 196 HIS : no HD1:sc= -0.137 K(o=-8.3,f=-9.1) USER MOD Set 2.2: A 212 HIS : no HD1:sc= -8.02! C(o=-8.3!,f=-12!) USER MOD Set 2.3: A 240 MET CE :methyl -155:sc= -0.147 (180deg=-0.736) USER MOD Set 3.1: A 205 TYR OH : rot -125:sc= -4.73! USER MOD Set 3.2: A 207 CYS SG : rot -7:sc= -5.42! USER MOD Set 4.1: A 203 ASN : amide:sc= -7.78! C(o=-14!,f=-11!) USER MOD Set 4.2: A 204 HIS : no HD1:sc= -6.54! C(o=-14!,f=-16!) USER MOD Set 5.1: A 145 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 149 LYS NZ :NH3+ -141:sc= -4.1! (180deg=-5.58!) USER MOD Single : A 113 ASN : amide:sc= -0.474 X(o=-0.47,f=-0.45) USER MOD Single : A 115 THR OG1 : rot -159:sc= -4.84! USER MOD Single : A 119 LYS NZ :NH3+ -140:sc= -8.69! (180deg=-10.8!) USER MOD Single : A 130 GLN : amide:sc= -10.1! C(o=-10!,f=-8.9!) USER MOD Single : A 131 TYR OH : rot 180:sc= -0.129 USER MOD Single : A 141 ASN : amide:sc= -0.621 X(o=-0.62,f=-0.62) USER MOD Single : A 142 THR OG1 : rot -51:sc= -5.29! USER MOD Single : A 147 GLN : amide:sc= -3.61! C(o=-3.6!,f=-13!) USER MOD Single : A 148 SER OG : rot -30:sc= -2.67! USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot 180:sc= -0.0282 USER MOD Single : A 154 SER OG : rot 180:sc= 0 USER MOD Single : A 155 TYR OH : rot 152:sc= 0.318 USER MOD Single : A 156 THR OG1 : rot -176:sc= -2.37 USER MOD Single : A 157 LYS NZ :NH3+ -160:sc= -0.145 (180deg=-0.629) USER MOD Single : A 161 GLN : amide:sc= -8.26! C(o=-8.3!,f=-4.9!) USER MOD Single : A 164 GLN : amide:sc= -11.3! C(o=-11!,f=-5.2!) USER MOD Single : A 171 THR OG1 : rot 27:sc= 0.0436! USER MOD Single : A 178 MET CE :methyl 156:sc= -2.52 (180deg=-5.16!) USER MOD Single : A 186 SER OG : rot 116:sc= 1.24 USER MOD Single : A 190 MET CE :methyl -120:sc= -2.22 (180deg=-2.5) USER MOD Single : A 198 GLN : amide:sc= -8.71! C(o=-8.7!,f=-2.1!) USER MOD Single : A 209 TYR OH : rot 150:sc= -2.24! USER MOD Single : A 211 MET CE :methyl -140:sc= -0.369 (180deg=-1.3!) USER MOD Single : A 213 THR OG1 : rot -51:sc= 0.642 USER MOD Single : A 218 MET CE :methyl -140:sc= -4.02! (180deg=-9.55!) USER MOD Single : A 219 TYR OH : rot 14:sc= -2.87! USER MOD Single : A 221 SER OG : rot 180:sc= 0 USER MOD Single : A 226 THR OG1 : rot 180:sc= 0.00798 USER MOD Single : A 228 ASN : amide:sc= -2.66! K(o=-2.7!,f=-1.6) USER MOD Single : A 233 LYS NZ :NH3+ 178:sc= -8.11! (180deg=-8.66!) USER MOD Single : A 239 TYR OH : rot -9:sc= -0.836! USER MOD Single : A 252 THR OG1 : rot 88:sc= 0.893 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 111 128.297 -3.582 6.519 1.00 0.00 N ATOM 2 CA GLY A 111 126.828 -3.339 6.514 1.00 0.00 C ATOM 3 C GLY A 111 126.056 -4.440 7.214 1.00 0.00 C ATOM 4 O GLY A 111 126.013 -4.493 8.443 1.00 0.00 O ATOM 0 HA2 GLY A 111 126.619 -2.387 7.001 1.00 0.00 H new ATOM 0 HA3 GLY A 111 126.480 -3.254 5.484 1.00 0.00 H new ATOM 8 N ILE A 112 125.446 -5.321 6.430 1.00 0.00 N ATOM 9 CA ILE A 112 124.671 -6.430 6.980 1.00 0.00 C ATOM 10 C ILE A 112 125.581 -7.428 7.676 1.00 0.00 C ATOM 11 O ILE A 112 125.277 -7.892 8.774 1.00 0.00 O ATOM 12 CB ILE A 112 123.871 -7.172 5.885 1.00 0.00 C ATOM 13 CG1 ILE A 112 123.295 -6.175 4.885 1.00 0.00 C ATOM 14 CG2 ILE A 112 122.764 -8.029 6.498 1.00 0.00 C ATOM 15 CD1 ILE A 112 122.515 -6.827 3.763 1.00 0.00 C ATOM 0 H ILE A 112 125.472 -5.290 5.411 1.00 0.00 H new ATOM 0 HA ILE A 112 123.972 -5.999 7.696 1.00 0.00 H new ATOM 0 HB ILE A 112 124.552 -7.839 5.357 1.00 0.00 H new ATOM 0 HG12 ILE A 112 122.644 -5.478 5.413 1.00 0.00 H new ATOM 0 HG13 ILE A 112 124.109 -5.589 4.458 1.00 0.00 H new ATOM 0 HG21 ILE A 112 122.218 -8.539 5.705 1.00 0.00 H new ATOM 0 HG22 ILE A 112 123.204 -8.767 7.168 1.00 0.00 H new ATOM 0 HG23 ILE A 112 122.079 -7.393 7.059 1.00 0.00 H new ATOM 0 HD11 ILE A 112 122.135 -6.059 3.090 1.00 0.00 H new ATOM 0 HD12 ILE A 112 123.168 -7.502 3.210 1.00 0.00 H new ATOM 0 HD13 ILE A 112 121.680 -7.390 4.180 1.00 0.00 H new ATOM 27 N ASN A 113 126.691 -7.758 7.041 1.00 0.00 N ATOM 28 CA ASN A 113 127.633 -8.708 7.614 1.00 0.00 C ATOM 29 C ASN A 113 126.887 -9.860 8.282 1.00 0.00 C ATOM 30 O ASN A 113 126.993 -10.065 9.490 1.00 0.00 O ATOM 31 CB ASN A 113 128.540 -8.013 8.630 1.00 0.00 C ATOM 32 CG ASN A 113 129.540 -8.963 9.259 1.00 0.00 C ATOM 33 OD1 ASN A 113 130.359 -9.567 8.567 1.00 0.00 O ATOM 34 ND2 ASN A 113 129.476 -9.101 10.577 1.00 0.00 N ATOM 0 H ASN A 113 126.964 -7.385 6.132 1.00 0.00 H new ATOM 0 HA ASN A 113 128.250 -9.108 6.809 1.00 0.00 H new ATOM 0 HB2 ASN A 113 129.075 -7.200 8.139 1.00 0.00 H new ATOM 0 HB3 ASN A 113 127.928 -7.565 9.412 1.00 0.00 H new ATOM 0 HD21 ASN A 113 130.122 -9.728 11.056 1.00 0.00 H new ATOM 0 HD22 ASN A 113 128.780 -8.580 11.111 1.00 0.00 H new ATOM 41 N LEU A 114 126.146 -10.618 7.477 1.00 0.00 N ATOM 42 CA LEU A 114 125.388 -11.771 7.971 1.00 0.00 C ATOM 43 C LEU A 114 125.819 -13.043 7.242 1.00 0.00 C ATOM 44 O LEU A 114 126.496 -12.986 6.216 1.00 0.00 O ATOM 45 CB LEU A 114 123.884 -11.559 7.765 1.00 0.00 C ATOM 46 CG LEU A 114 123.213 -10.527 8.673 1.00 0.00 C ATOM 47 CD1 LEU A 114 121.733 -10.404 8.325 1.00 0.00 C ATOM 48 CD2 LEU A 114 123.380 -10.904 10.138 1.00 0.00 C ATOM 0 H LEU A 114 126.053 -10.455 6.474 1.00 0.00 H new ATOM 0 HA LEU A 114 125.592 -11.875 9.037 1.00 0.00 H new ATOM 0 HB2 LEU A 114 123.719 -11.261 6.729 1.00 0.00 H new ATOM 0 HB3 LEU A 114 123.381 -12.516 7.905 1.00 0.00 H new ATOM 0 HG LEU A 114 123.696 -9.563 8.512 1.00 0.00 H new ATOM 0 HD11 LEU A 114 121.266 -9.667 8.978 1.00 0.00 H new ATOM 0 HD12 LEU A 114 121.628 -10.088 7.287 1.00 0.00 H new ATOM 0 HD13 LEU A 114 121.246 -11.369 8.461 1.00 0.00 H new ATOM 0 HD21 LEU A 114 122.895 -10.155 10.764 1.00 0.00 H new ATOM 0 HD22 LEU A 114 122.924 -11.878 10.317 1.00 0.00 H new ATOM 0 HD23 LEU A 114 124.441 -10.949 10.383 1.00 0.00 H new ATOM 60 N THR A 115 125.409 -14.188 7.775 1.00 0.00 N ATOM 61 CA THR A 115 125.732 -15.476 7.173 1.00 0.00 C ATOM 62 C THR A 115 124.631 -15.875 6.193 1.00 0.00 C ATOM 63 O THR A 115 123.476 -15.489 6.371 1.00 0.00 O ATOM 64 CB THR A 115 125.863 -16.544 8.260 1.00 0.00 C ATOM 65 OG1 THR A 115 124.615 -16.783 8.873 1.00 0.00 O ATOM 66 CG2 THR A 115 126.840 -16.173 9.351 1.00 0.00 C ATOM 0 H THR A 115 124.850 -14.251 8.626 1.00 0.00 H new ATOM 0 HA THR A 115 126.679 -15.392 6.640 1.00 0.00 H new ATOM 0 HB THR A 115 126.234 -17.432 7.749 1.00 0.00 H new ATOM 0 HG1 THR A 115 124.755 -17.193 9.752 1.00 0.00 H new ATOM 0 HG21 THR A 115 126.884 -16.975 10.088 1.00 0.00 H new ATOM 0 HG22 THR A 115 127.829 -16.024 8.918 1.00 0.00 H new ATOM 0 HG23 THR A 115 126.513 -15.253 9.835 1.00 0.00 H new ATOM 74 N PRO A 116 124.954 -16.656 5.148 1.00 0.00 N ATOM 75 CA PRO A 116 123.956 -17.088 4.169 1.00 0.00 C ATOM 76 C PRO A 116 122.702 -17.637 4.848 1.00 0.00 C ATOM 77 O PRO A 116 121.589 -17.479 4.347 1.00 0.00 O ATOM 78 CB PRO A 116 124.676 -18.191 3.367 1.00 0.00 C ATOM 79 CG PRO A 116 125.959 -18.451 4.094 1.00 0.00 C ATOM 80 CD PRO A 116 126.285 -17.185 4.833 1.00 0.00 C ATOM 0 HA PRO A 116 123.610 -16.266 3.543 1.00 0.00 H new ATOM 0 HB2 PRO A 116 124.068 -19.094 3.311 1.00 0.00 H new ATOM 0 HB3 PRO A 116 124.865 -17.870 2.343 1.00 0.00 H new ATOM 0 HG2 PRO A 116 125.853 -19.288 4.784 1.00 0.00 H new ATOM 0 HG3 PRO A 116 126.756 -18.711 3.397 1.00 0.00 H new ATOM 0 HD2 PRO A 116 126.869 -17.378 5.733 1.00 0.00 H new ATOM 0 HD3 PRO A 116 126.863 -16.493 4.220 1.00 0.00 H new ATOM 88 N GLU A 117 122.900 -18.281 5.994 1.00 0.00 N ATOM 89 CA GLU A 117 121.805 -18.859 6.760 1.00 0.00 C ATOM 90 C GLU A 117 120.958 -17.778 7.422 1.00 0.00 C ATOM 91 O GLU A 117 119.731 -17.857 7.419 1.00 0.00 O ATOM 92 CB GLU A 117 122.342 -19.829 7.814 1.00 0.00 C ATOM 93 CG GLU A 117 123.359 -19.210 8.755 1.00 0.00 C ATOM 94 CD GLU A 117 123.822 -20.173 9.830 1.00 0.00 C ATOM 95 OE1 GLU A 117 124.379 -21.234 9.476 1.00 0.00 O ATOM 96 OE2 GLU A 117 123.627 -19.868 11.025 1.00 0.00 O ATOM 0 H GLU A 117 123.819 -18.416 6.415 1.00 0.00 H new ATOM 0 HA GLU A 117 121.168 -19.408 6.066 1.00 0.00 H new ATOM 0 HB2 GLU A 117 121.507 -20.214 8.399 1.00 0.00 H new ATOM 0 HB3 GLU A 117 122.798 -20.681 7.311 1.00 0.00 H new ATOM 0 HG2 GLU A 117 124.221 -18.871 8.180 1.00 0.00 H new ATOM 0 HG3 GLU A 117 122.923 -18.328 9.225 1.00 0.00 H new ATOM 103 N GLU A 118 121.609 -16.758 7.978 1.00 0.00 N ATOM 104 CA GLU A 118 120.876 -15.672 8.621 1.00 0.00 C ATOM 105 C GLU A 118 120.136 -14.875 7.560 1.00 0.00 C ATOM 106 O GLU A 118 118.941 -14.619 7.680 1.00 0.00 O ATOM 107 CB GLU A 118 121.810 -14.756 9.421 1.00 0.00 C ATOM 108 CG GLU A 118 122.518 -15.437 10.587 1.00 0.00 C ATOM 109 CD GLU A 118 121.587 -16.230 11.486 1.00 0.00 C ATOM 110 OE1 GLU A 118 120.951 -17.185 10.992 1.00 0.00 O ATOM 111 OE2 GLU A 118 121.507 -15.910 12.688 1.00 0.00 O ATOM 0 H GLU A 118 122.624 -16.662 7.996 1.00 0.00 H new ATOM 0 HA GLU A 118 120.164 -16.103 9.325 1.00 0.00 H new ATOM 0 HB2 GLU A 118 122.561 -14.346 8.746 1.00 0.00 H new ATOM 0 HB3 GLU A 118 121.232 -13.915 9.804 1.00 0.00 H new ATOM 0 HG2 GLU A 118 123.286 -16.104 10.195 1.00 0.00 H new ATOM 0 HG3 GLU A 118 123.028 -14.680 11.183 1.00 0.00 H new ATOM 118 N LYS A 119 120.851 -14.514 6.505 1.00 0.00 N ATOM 119 CA LYS A 119 120.260 -13.775 5.401 1.00 0.00 C ATOM 120 C LYS A 119 119.004 -14.481 4.915 1.00 0.00 C ATOM 121 O LYS A 119 118.050 -13.845 4.467 1.00 0.00 O ATOM 122 CB LYS A 119 121.262 -13.675 4.255 1.00 0.00 C ATOM 123 CG LYS A 119 122.467 -12.808 4.572 1.00 0.00 C ATOM 124 CD LYS A 119 123.684 -13.234 3.768 1.00 0.00 C ATOM 125 CE LYS A 119 124.692 -12.102 3.637 1.00 0.00 C ATOM 126 NZ LYS A 119 125.142 -11.596 4.958 1.00 0.00 N ATOM 0 H LYS A 119 121.843 -14.722 6.391 1.00 0.00 H new ATOM 0 HA LYS A 119 119.998 -12.774 5.745 1.00 0.00 H new ATOM 0 HB2 LYS A 119 121.604 -14.677 3.995 1.00 0.00 H new ATOM 0 HB3 LYS A 119 120.757 -13.273 3.377 1.00 0.00 H new ATOM 0 HG2 LYS A 119 122.234 -11.765 4.357 1.00 0.00 H new ATOM 0 HG3 LYS A 119 122.692 -12.871 5.637 1.00 0.00 H new ATOM 0 HD2 LYS A 119 124.157 -14.090 4.249 1.00 0.00 H new ATOM 0 HD3 LYS A 119 123.370 -13.559 2.776 1.00 0.00 H new ATOM 0 HE2 LYS A 119 125.555 -12.450 3.070 1.00 0.00 H new ATOM 0 HE3 LYS A 119 124.247 -11.285 3.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 125.221 -10.560 4.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 124.452 -11.867 5.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 126.069 -12.006 5.190 1.00 0.00 H new ATOM 140 N PHE A 120 119.015 -15.804 5.013 1.00 0.00 N ATOM 141 CA PHE A 120 117.876 -16.605 4.591 1.00 0.00 C ATOM 142 C PHE A 120 116.759 -16.526 5.620 1.00 0.00 C ATOM 143 O PHE A 120 115.594 -16.341 5.270 1.00 0.00 O ATOM 144 CB PHE A 120 118.299 -18.050 4.337 1.00 0.00 C ATOM 145 CG PHE A 120 117.153 -18.970 4.016 1.00 0.00 C ATOM 146 CD1 PHE A 120 116.352 -18.734 2.910 1.00 0.00 C ATOM 147 CD2 PHE A 120 116.877 -20.069 4.817 1.00 0.00 C ATOM 148 CE1 PHE A 120 115.298 -19.575 2.609 1.00 0.00 C ATOM 149 CE2 PHE A 120 115.824 -20.913 4.519 1.00 0.00 C ATOM 150 CZ PHE A 120 115.033 -20.666 3.414 1.00 0.00 C ATOM 0 H PHE A 120 119.799 -16.343 5.380 1.00 0.00 H new ATOM 0 HA PHE A 120 117.495 -16.202 3.653 1.00 0.00 H new ATOM 0 HB2 PHE A 120 119.011 -18.071 3.512 1.00 0.00 H new ATOM 0 HB3 PHE A 120 118.820 -18.427 5.217 1.00 0.00 H new ATOM 0 HD1 PHE A 120 116.554 -17.883 2.276 1.00 0.00 H new ATOM 0 HD2 PHE A 120 117.492 -20.267 5.683 1.00 0.00 H new ATOM 0 HE1 PHE A 120 114.681 -19.379 1.744 1.00 0.00 H new ATOM 0 HE2 PHE A 120 115.620 -21.765 5.150 1.00 0.00 H new ATOM 0 HZ PHE A 120 114.209 -21.324 3.180 1.00 0.00 H new ATOM 160 N GLU A 121 117.112 -16.641 6.885 1.00 0.00 N ATOM 161 CA GLU A 121 116.134 -16.554 7.954 1.00 0.00 C ATOM 162 C GLU A 121 115.648 -15.116 8.101 1.00 0.00 C ATOM 163 O GLU A 121 114.598 -14.856 8.688 1.00 0.00 O ATOM 164 CB GLU A 121 116.775 -17.032 9.249 1.00 0.00 C ATOM 165 CG GLU A 121 117.360 -18.430 9.139 1.00 0.00 C ATOM 166 CD GLU A 121 116.364 -19.522 9.479 1.00 0.00 C ATOM 167 OE1 GLU A 121 115.201 -19.189 9.793 1.00 0.00 O ATOM 168 OE2 GLU A 121 116.745 -20.711 9.431 1.00 0.00 O ATOM 0 H GLU A 121 118.070 -16.795 7.199 1.00 0.00 H new ATOM 0 HA GLU A 121 115.275 -17.183 7.721 1.00 0.00 H new ATOM 0 HB2 GLU A 121 117.563 -16.336 9.537 1.00 0.00 H new ATOM 0 HB3 GLU A 121 116.030 -17.017 10.044 1.00 0.00 H new ATOM 0 HG2 GLU A 121 117.727 -18.585 8.124 1.00 0.00 H new ATOM 0 HG3 GLU A 121 118.219 -18.511 9.805 1.00 0.00 H new ATOM 175 N VAL A 122 116.452 -14.186 7.589 1.00 0.00 N ATOM 176 CA VAL A 122 116.157 -12.760 7.681 1.00 0.00 C ATOM 177 C VAL A 122 115.585 -12.181 6.380 1.00 0.00 C ATOM 178 O VAL A 122 114.451 -11.701 6.360 1.00 0.00 O ATOM 179 CB VAL A 122 117.433 -11.991 8.078 1.00 0.00 C ATOM 180 CG1 VAL A 122 117.170 -10.497 8.212 1.00 0.00 C ATOM 181 CG2 VAL A 122 117.991 -12.557 9.375 1.00 0.00 C ATOM 0 H VAL A 122 117.322 -14.400 7.101 1.00 0.00 H new ATOM 0 HA VAL A 122 115.389 -12.642 8.445 1.00 0.00 H new ATOM 0 HB VAL A 122 118.169 -12.119 7.284 1.00 0.00 H new ATOM 0 HG11 VAL A 122 118.093 -9.989 8.493 1.00 0.00 H new ATOM 0 HG12 VAL A 122 116.814 -10.103 7.260 1.00 0.00 H new ATOM 0 HG13 VAL A 122 116.415 -10.328 8.979 1.00 0.00 H new ATOM 0 HG21 VAL A 122 118.893 -12.011 9.652 1.00 0.00 H new ATOM 0 HG22 VAL A 122 117.248 -12.455 10.166 1.00 0.00 H new ATOM 0 HG23 VAL A 122 118.233 -13.611 9.238 1.00 0.00 H new ATOM 191 N PHE A 123 116.368 -12.206 5.301 1.00 0.00 N ATOM 192 CA PHE A 123 115.915 -11.656 4.016 1.00 0.00 C ATOM 193 C PHE A 123 115.264 -12.714 3.127 1.00 0.00 C ATOM 194 O PHE A 123 114.923 -12.433 1.979 1.00 0.00 O ATOM 195 CB PHE A 123 117.076 -11.020 3.244 1.00 0.00 C ATOM 196 CG PHE A 123 117.680 -9.812 3.909 1.00 0.00 C ATOM 197 CD1 PHE A 123 118.475 -9.946 5.034 1.00 0.00 C ATOM 198 CD2 PHE A 123 117.450 -8.541 3.401 1.00 0.00 C ATOM 199 CE1 PHE A 123 119.033 -8.836 5.641 1.00 0.00 C ATOM 200 CE2 PHE A 123 118.003 -7.429 4.004 1.00 0.00 C ATOM 201 CZ PHE A 123 118.797 -7.576 5.126 1.00 0.00 C ATOM 0 H PHE A 123 117.310 -12.596 5.287 1.00 0.00 H new ATOM 0 HA PHE A 123 115.171 -10.898 4.262 1.00 0.00 H new ATOM 0 HB2 PHE A 123 117.855 -11.769 3.103 1.00 0.00 H new ATOM 0 HB3 PHE A 123 116.724 -10.735 2.253 1.00 0.00 H new ATOM 0 HD1 PHE A 123 118.662 -10.928 5.442 1.00 0.00 H new ATOM 0 HD2 PHE A 123 116.831 -8.421 2.524 1.00 0.00 H new ATOM 0 HE1 PHE A 123 119.653 -8.954 6.517 1.00 0.00 H new ATOM 0 HE2 PHE A 123 117.815 -6.445 3.600 1.00 0.00 H new ATOM 0 HZ PHE A 123 119.232 -6.708 5.599 1.00 0.00 H new ATOM 211 N GLY A 124 115.105 -13.926 3.640 1.00 0.00 N ATOM 212 CA GLY A 124 114.507 -14.976 2.835 1.00 0.00 C ATOM 213 C GLY A 124 115.433 -15.413 1.717 1.00 0.00 C ATOM 214 O GLY A 124 116.649 -15.424 1.887 1.00 0.00 O ATOM 0 H GLY A 124 115.374 -14.200 4.585 1.00 0.00 H new ATOM 0 HA2 GLY A 124 114.270 -15.831 3.468 1.00 0.00 H new ATOM 0 HA3 GLY A 124 113.567 -14.622 2.413 1.00 0.00 H new ATOM 218 N ASP A 125 114.874 -15.757 0.562 1.00 0.00 N ATOM 219 CA ASP A 125 115.700 -16.174 -0.566 1.00 0.00 C ATOM 220 C ASP A 125 116.166 -14.962 -1.365 1.00 0.00 C ATOM 221 O ASP A 125 115.924 -14.864 -2.568 1.00 0.00 O ATOM 222 CB ASP A 125 114.926 -17.136 -1.471 1.00 0.00 C ATOM 223 CG ASP A 125 115.746 -17.598 -2.659 1.00 0.00 C ATOM 224 OD1 ASP A 125 116.913 -17.169 -2.778 1.00 0.00 O ATOM 225 OD2 ASP A 125 115.221 -18.390 -3.470 1.00 0.00 O ATOM 0 H ASP A 125 113.870 -15.756 0.383 1.00 0.00 H new ATOM 0 HA ASP A 125 116.576 -16.691 -0.175 1.00 0.00 H new ATOM 0 HB2 ASP A 125 114.612 -18.003 -0.890 1.00 0.00 H new ATOM 0 HB3 ASP A 125 114.020 -16.646 -1.827 1.00 0.00 H new ATOM 230 N PHE A 126 116.829 -14.035 -0.677 1.00 0.00 N ATOM 231 CA PHE A 126 117.332 -12.811 -1.296 1.00 0.00 C ATOM 232 C PHE A 126 118.750 -12.520 -0.814 1.00 0.00 C ATOM 233 O PHE A 126 118.978 -12.334 0.382 1.00 0.00 O ATOM 234 CB PHE A 126 116.410 -11.643 -0.940 1.00 0.00 C ATOM 235 CG PHE A 126 116.813 -10.328 -1.551 1.00 0.00 C ATOM 236 CD1 PHE A 126 116.839 -10.170 -2.928 1.00 0.00 C ATOM 237 CD2 PHE A 126 117.159 -9.249 -0.751 1.00 0.00 C ATOM 238 CE1 PHE A 126 117.200 -8.962 -3.493 1.00 0.00 C ATOM 239 CE2 PHE A 126 117.522 -8.040 -1.311 1.00 0.00 C ATOM 240 CZ PHE A 126 117.542 -7.895 -2.685 1.00 0.00 C ATOM 0 H PHE A 126 117.032 -14.110 0.320 1.00 0.00 H new ATOM 0 HA PHE A 126 117.351 -12.940 -2.378 1.00 0.00 H new ATOM 0 HB2 PHE A 126 115.397 -11.884 -1.261 1.00 0.00 H new ATOM 0 HB3 PHE A 126 116.383 -11.534 0.144 1.00 0.00 H new ATOM 0 HD1 PHE A 126 116.574 -11.000 -3.566 1.00 0.00 H new ATOM 0 HD2 PHE A 126 117.144 -9.356 0.324 1.00 0.00 H new ATOM 0 HE1 PHE A 126 117.215 -8.852 -4.567 1.00 0.00 H new ATOM 0 HE2 PHE A 126 117.790 -7.209 -0.676 1.00 0.00 H new ATOM 0 HZ PHE A 126 117.824 -6.950 -3.126 1.00 0.00 H new ATOM 250 N ASP A 127 119.706 -12.495 -1.741 1.00 0.00 N ATOM 251 CA ASP A 127 121.098 -12.240 -1.398 1.00 0.00 C ATOM 252 C ASP A 127 121.527 -10.828 -1.801 1.00 0.00 C ATOM 253 O ASP A 127 122.060 -10.628 -2.893 1.00 0.00 O ATOM 254 CB ASP A 127 121.983 -13.264 -2.104 1.00 0.00 C ATOM 255 CG ASP A 127 121.714 -14.681 -1.639 1.00 0.00 C ATOM 256 OD1 ASP A 127 120.566 -15.149 -1.795 1.00 0.00 O ATOM 257 OD2 ASP A 127 122.651 -15.325 -1.121 1.00 0.00 O ATOM 0 H ASP A 127 119.539 -12.649 -2.735 1.00 0.00 H new ATOM 0 HA ASP A 127 121.206 -12.327 -0.317 1.00 0.00 H new ATOM 0 HB2 ASP A 127 121.819 -13.201 -3.180 1.00 0.00 H new ATOM 0 HB3 ASP A 127 123.030 -13.019 -1.926 1.00 0.00 H new ATOM 262 N PRO A 128 121.321 -9.827 -0.923 1.00 0.00 N ATOM 263 CA PRO A 128 121.711 -8.441 -1.206 1.00 0.00 C ATOM 264 C PRO A 128 123.227 -8.260 -1.222 1.00 0.00 C ATOM 265 O PRO A 128 123.770 -7.523 -2.046 1.00 0.00 O ATOM 266 CB PRO A 128 121.085 -7.651 -0.052 1.00 0.00 C ATOM 267 CG PRO A 128 120.981 -8.632 1.062 1.00 0.00 C ATOM 268 CD PRO A 128 120.708 -9.963 0.415 1.00 0.00 C ATOM 0 HA PRO A 128 121.376 -8.114 -2.190 1.00 0.00 H new ATOM 0 HB2 PRO A 128 121.705 -6.799 0.227 1.00 0.00 H new ATOM 0 HB3 PRO A 128 120.106 -7.257 -0.326 1.00 0.00 H new ATOM 0 HG2 PRO A 128 121.903 -8.662 1.643 1.00 0.00 H new ATOM 0 HG3 PRO A 128 120.180 -8.360 1.749 1.00 0.00 H new ATOM 0 HD2 PRO A 128 121.153 -10.783 0.979 1.00 0.00 H new ATOM 0 HD3 PRO A 128 119.639 -10.165 0.348 1.00 0.00 H new ATOM 276 N ASP A 129 123.899 -8.932 -0.292 1.00 0.00 N ATOM 277 CA ASP A 129 125.351 -8.849 -0.169 1.00 0.00 C ATOM 278 C ASP A 129 126.043 -8.994 -1.521 1.00 0.00 C ATOM 279 O ASP A 129 126.941 -8.221 -1.852 1.00 0.00 O ATOM 280 CB ASP A 129 125.858 -9.928 0.789 1.00 0.00 C ATOM 281 CG ASP A 129 125.564 -11.331 0.292 1.00 0.00 C ATOM 282 OD1 ASP A 129 126.125 -11.721 -0.753 1.00 0.00 O ATOM 283 OD2 ASP A 129 124.769 -12.038 0.945 1.00 0.00 O ATOM 0 H ASP A 129 123.457 -9.545 0.393 1.00 0.00 H new ATOM 0 HA ASP A 129 125.592 -7.862 0.227 1.00 0.00 H new ATOM 0 HB2 ASP A 129 126.933 -9.812 0.925 1.00 0.00 H new ATOM 0 HB3 ASP A 129 125.396 -9.788 1.766 1.00 0.00 H new ATOM 288 N GLN A 130 125.635 -9.996 -2.290 1.00 0.00 N ATOM 289 CA GLN A 130 126.233 -10.245 -3.596 1.00 0.00 C ATOM 290 C GLN A 130 126.214 -8.984 -4.458 1.00 0.00 C ATOM 291 O GLN A 130 127.123 -8.760 -5.257 1.00 0.00 O ATOM 292 CB GLN A 130 125.500 -11.388 -4.307 1.00 0.00 C ATOM 293 CG GLN A 130 126.164 -11.839 -5.600 1.00 0.00 C ATOM 294 CD GLN A 130 126.210 -10.750 -6.653 1.00 0.00 C ATOM 295 OE1 GLN A 130 125.175 -10.240 -7.082 1.00 0.00 O ATOM 296 NE2 GLN A 130 127.415 -10.386 -7.076 1.00 0.00 N ATOM 0 H GLN A 130 124.894 -10.648 -2.033 1.00 0.00 H new ATOM 0 HA GLN A 130 127.273 -10.534 -3.443 1.00 0.00 H new ATOM 0 HB2 GLN A 130 125.432 -12.239 -3.630 1.00 0.00 H new ATOM 0 HB3 GLN A 130 124.480 -11.072 -4.525 1.00 0.00 H new ATOM 0 HG2 GLN A 130 127.179 -12.171 -5.384 1.00 0.00 H new ATOM 0 HG3 GLN A 130 125.625 -12.699 -5.998 1.00 0.00 H new ATOM 0 HE21 GLN A 130 128.247 -10.835 -6.693 1.00 0.00 H new ATOM 0 HE22 GLN A 130 127.509 -9.657 -7.783 1.00 0.00 H new ATOM 305 N TYR A 131 125.179 -8.162 -4.293 1.00 0.00 N ATOM 306 CA TYR A 131 125.056 -6.926 -5.066 1.00 0.00 C ATOM 307 C TYR A 131 125.462 -5.707 -4.241 1.00 0.00 C ATOM 308 O TYR A 131 125.230 -4.570 -4.646 1.00 0.00 O ATOM 309 CB TYR A 131 123.624 -6.750 -5.578 1.00 0.00 C ATOM 310 CG TYR A 131 123.184 -7.833 -6.538 1.00 0.00 C ATOM 311 CD1 TYR A 131 122.971 -9.132 -6.096 1.00 0.00 C ATOM 312 CD2 TYR A 131 122.990 -7.560 -7.887 1.00 0.00 C ATOM 313 CE1 TYR A 131 122.578 -10.128 -6.968 1.00 0.00 C ATOM 314 CE2 TYR A 131 122.595 -8.550 -8.766 1.00 0.00 C ATOM 315 CZ TYR A 131 122.391 -9.832 -8.302 1.00 0.00 C ATOM 316 OH TYR A 131 121.999 -10.821 -9.174 1.00 0.00 O ATOM 0 H TYR A 131 124.417 -8.327 -3.635 1.00 0.00 H new ATOM 0 HA TYR A 131 125.734 -7.005 -5.916 1.00 0.00 H new ATOM 0 HB2 TYR A 131 122.943 -6.732 -4.727 1.00 0.00 H new ATOM 0 HB3 TYR A 131 123.541 -5.782 -6.073 1.00 0.00 H new ATOM 0 HD1 TYR A 131 123.115 -9.367 -5.052 1.00 0.00 H new ATOM 0 HD2 TYR A 131 123.151 -6.557 -8.254 1.00 0.00 H new ATOM 0 HE1 TYR A 131 122.418 -11.133 -6.607 1.00 0.00 H new ATOM 0 HE2 TYR A 131 122.447 -8.321 -9.811 1.00 0.00 H new ATOM 0 HH TYR A 131 121.911 -10.446 -10.075 1.00 0.00 H new ATOM 326 N GLU A 132 126.070 -5.952 -3.085 1.00 0.00 N ATOM 327 CA GLU A 132 126.510 -4.876 -2.198 1.00 0.00 C ATOM 328 C GLU A 132 127.227 -3.773 -2.972 1.00 0.00 C ATOM 329 O GLU A 132 126.756 -2.639 -3.047 1.00 0.00 O ATOM 330 CB GLU A 132 127.452 -5.439 -1.132 1.00 0.00 C ATOM 331 CG GLU A 132 127.958 -4.397 -0.145 1.00 0.00 C ATOM 332 CD GLU A 132 126.850 -3.804 0.706 1.00 0.00 C ATOM 333 OE1 GLU A 132 125.692 -4.249 0.569 1.00 0.00 O ATOM 334 OE2 GLU A 132 127.144 -2.899 1.515 1.00 0.00 O ATOM 0 H GLU A 132 126.271 -6.890 -2.738 1.00 0.00 H new ATOM 0 HA GLU A 132 125.625 -4.446 -1.728 1.00 0.00 H new ATOM 0 HB2 GLU A 132 126.934 -6.225 -0.582 1.00 0.00 H new ATOM 0 HB3 GLU A 132 128.306 -5.904 -1.625 1.00 0.00 H new ATOM 0 HG2 GLU A 132 128.705 -4.852 0.505 1.00 0.00 H new ATOM 0 HG3 GLU A 132 128.457 -3.597 -0.692 1.00 0.00 H new ATOM 341 N GLU A 133 128.380 -4.115 -3.536 1.00 0.00 N ATOM 342 CA GLU A 133 129.177 -3.160 -4.298 1.00 0.00 C ATOM 343 C GLU A 133 128.537 -2.877 -5.650 1.00 0.00 C ATOM 344 O GLU A 133 128.814 -1.857 -6.280 1.00 0.00 O ATOM 345 CB GLU A 133 130.598 -3.691 -4.494 1.00 0.00 C ATOM 346 CG GLU A 133 131.338 -3.944 -3.190 1.00 0.00 C ATOM 347 CD GLU A 133 131.481 -2.690 -2.350 1.00 0.00 C ATOM 348 OE1 GLU A 133 132.093 -1.716 -2.835 1.00 0.00 O ATOM 349 OE2 GLU A 133 130.980 -2.683 -1.205 1.00 0.00 O ATOM 0 H GLU A 133 128.785 -5.050 -3.480 1.00 0.00 H new ATOM 0 HA GLU A 133 129.220 -2.228 -3.734 1.00 0.00 H new ATOM 0 HB2 GLU A 133 130.555 -4.619 -5.064 1.00 0.00 H new ATOM 0 HB3 GLU A 133 131.165 -2.977 -5.091 1.00 0.00 H new ATOM 0 HG2 GLU A 133 130.807 -4.703 -2.616 1.00 0.00 H new ATOM 0 HG3 GLU A 133 132.327 -4.345 -3.410 1.00 0.00 H new ATOM 356 N GLU A 134 127.683 -3.788 -6.097 1.00 0.00 N ATOM 357 CA GLU A 134 127.009 -3.638 -7.379 1.00 0.00 C ATOM 358 C GLU A 134 125.981 -2.512 -7.334 1.00 0.00 C ATOM 359 O GLU A 134 125.670 -1.912 -8.360 1.00 0.00 O ATOM 360 CB GLU A 134 126.326 -4.942 -7.786 1.00 0.00 C ATOM 361 CG GLU A 134 127.264 -6.140 -7.827 1.00 0.00 C ATOM 362 CD GLU A 134 128.340 -6.008 -8.888 1.00 0.00 C ATOM 363 OE1 GLU A 134 128.321 -5.007 -9.635 1.00 0.00 O ATOM 364 OE2 GLU A 134 129.198 -6.912 -8.977 1.00 0.00 O ATOM 0 H GLU A 134 127.441 -4.639 -5.590 1.00 0.00 H new ATOM 0 HA GLU A 134 127.767 -3.386 -8.120 1.00 0.00 H new ATOM 0 HB2 GLU A 134 125.516 -5.150 -7.087 1.00 0.00 H new ATOM 0 HB3 GLU A 134 125.874 -4.813 -8.769 1.00 0.00 H new ATOM 0 HG2 GLU A 134 127.735 -6.260 -6.851 1.00 0.00 H new ATOM 0 HG3 GLU A 134 126.684 -7.044 -8.015 1.00 0.00 H new ATOM 371 N VAL A 135 125.434 -2.237 -6.152 1.00 0.00 N ATOM 372 CA VAL A 135 124.434 -1.197 -6.021 1.00 0.00 C ATOM 373 C VAL A 135 124.968 0.138 -6.536 1.00 0.00 C ATOM 374 O VAL A 135 124.397 0.728 -7.454 1.00 0.00 O ATOM 375 CB VAL A 135 124.013 -1.044 -4.549 1.00 0.00 C ATOM 376 CG1 VAL A 135 122.828 -0.112 -4.433 1.00 0.00 C ATOM 377 CG2 VAL A 135 123.702 -2.404 -3.926 1.00 0.00 C ATOM 0 H VAL A 135 125.668 -2.718 -5.283 1.00 0.00 H new ATOM 0 HA VAL A 135 123.569 -1.486 -6.618 1.00 0.00 H new ATOM 0 HB VAL A 135 124.846 -0.608 -3.998 1.00 0.00 H new ATOM 0 HG11 VAL A 135 122.543 -0.015 -3.385 1.00 0.00 H new ATOM 0 HG12 VAL A 135 123.096 0.868 -4.829 1.00 0.00 H new ATOM 0 HG13 VAL A 135 121.990 -0.516 -5.001 1.00 0.00 H new ATOM 0 HG21 VAL A 135 123.407 -2.269 -2.885 1.00 0.00 H new ATOM 0 HG22 VAL A 135 122.889 -2.878 -4.475 1.00 0.00 H new ATOM 0 HG23 VAL A 135 124.588 -3.037 -3.972 1.00 0.00 H new ATOM 387 N ARG A 136 126.054 0.618 -5.937 1.00 0.00 N ATOM 388 CA ARG A 136 126.646 1.892 -6.334 1.00 0.00 C ATOM 389 C ARG A 136 126.852 1.981 -7.845 1.00 0.00 C ATOM 390 O ARG A 136 126.857 3.074 -8.412 1.00 0.00 O ATOM 391 CB ARG A 136 127.964 2.137 -5.584 1.00 0.00 C ATOM 392 CG ARG A 136 128.895 0.934 -5.505 1.00 0.00 C ATOM 393 CD ARG A 136 129.521 0.599 -6.850 1.00 0.00 C ATOM 394 NE ARG A 136 130.620 -0.353 -6.719 1.00 0.00 N ATOM 395 CZ ARG A 136 131.331 -0.803 -7.748 1.00 0.00 C ATOM 396 NH1 ARG A 136 131.057 -0.388 -8.977 1.00 0.00 N ATOM 397 NH2 ARG A 136 132.315 -1.668 -7.548 1.00 0.00 N ATOM 0 H ARG A 136 126.541 0.145 -5.176 1.00 0.00 H new ATOM 0 HA ARG A 136 125.942 2.677 -6.059 1.00 0.00 H new ATOM 0 HB2 ARG A 136 128.494 2.956 -6.070 1.00 0.00 H new ATOM 0 HB3 ARG A 136 127.732 2.465 -4.571 1.00 0.00 H new ATOM 0 HG2 ARG A 136 129.684 1.135 -4.780 1.00 0.00 H new ATOM 0 HG3 ARG A 136 128.339 0.070 -5.140 1.00 0.00 H new ATOM 0 HD2 ARG A 136 128.760 0.185 -7.511 1.00 0.00 H new ATOM 0 HD3 ARG A 136 129.887 1.513 -7.318 1.00 0.00 H new ATOM 0 HE ARG A 136 130.855 -0.692 -5.786 1.00 0.00 H new ATOM 0 HH11 ARG A 136 130.300 0.277 -9.134 1.00 0.00 H new ATOM 0 HH12 ARG A 136 131.603 -0.734 -9.766 1.00 0.00 H new ATOM 0 HH21 ARG A 136 132.528 -1.989 -6.604 1.00 0.00 H new ATOM 0 HH22 ARG A 136 132.860 -2.012 -8.339 1.00 0.00 H new ATOM 411 N GLU A 137 127.021 0.838 -8.493 1.00 0.00 N ATOM 412 CA GLU A 137 127.225 0.807 -9.938 1.00 0.00 C ATOM 413 C GLU A 137 126.053 1.469 -10.657 1.00 0.00 C ATOM 414 O GLU A 137 126.224 2.084 -11.709 1.00 0.00 O ATOM 415 CB GLU A 137 127.379 -0.638 -10.422 1.00 0.00 C ATOM 416 CG GLU A 137 127.811 -0.756 -11.876 1.00 0.00 C ATOM 417 CD GLU A 137 126.788 -0.191 -12.841 1.00 0.00 C ATOM 418 OE1 GLU A 137 125.644 -0.692 -12.853 1.00 0.00 O ATOM 419 OE2 GLU A 137 127.131 0.751 -13.586 1.00 0.00 O ATOM 0 H GLU A 137 127.021 -0.078 -8.045 1.00 0.00 H new ATOM 0 HA GLU A 137 128.137 1.359 -10.167 1.00 0.00 H new ATOM 0 HB2 GLU A 137 128.110 -1.146 -9.793 1.00 0.00 H new ATOM 0 HB3 GLU A 137 126.430 -1.158 -10.291 1.00 0.00 H new ATOM 0 HG2 GLU A 137 128.759 -0.235 -12.012 1.00 0.00 H new ATOM 0 HG3 GLU A 137 127.987 -1.805 -12.114 1.00 0.00 H new ATOM 426 N ARG A 138 124.862 1.341 -10.076 1.00 0.00 N ATOM 427 CA ARG A 138 123.661 1.929 -10.658 1.00 0.00 C ATOM 428 C ARG A 138 123.720 3.452 -10.597 1.00 0.00 C ATOM 429 O ARG A 138 123.707 4.125 -11.627 1.00 0.00 O ATOM 430 CB ARG A 138 122.417 1.422 -9.921 1.00 0.00 C ATOM 431 CG ARG A 138 121.103 1.983 -10.447 1.00 0.00 C ATOM 432 CD ARG A 138 120.800 1.503 -11.860 1.00 0.00 C ATOM 433 NE ARG A 138 121.696 2.088 -12.854 1.00 0.00 N ATOM 434 CZ ARG A 138 121.732 3.386 -13.140 1.00 0.00 C ATOM 435 NH1 ARG A 138 120.919 4.228 -12.517 1.00 0.00 N ATOM 436 NH2 ARG A 138 122.581 3.842 -14.051 1.00 0.00 N ATOM 0 H ARG A 138 124.704 0.836 -9.204 1.00 0.00 H new ATOM 0 HA ARG A 138 123.604 1.628 -11.704 1.00 0.00 H new ATOM 0 HB2 ARG A 138 122.387 0.335 -9.989 1.00 0.00 H new ATOM 0 HB3 ARG A 138 122.508 1.673 -8.864 1.00 0.00 H new ATOM 0 HG2 ARG A 138 120.291 1.687 -9.782 1.00 0.00 H new ATOM 0 HG3 ARG A 138 121.144 3.072 -10.436 1.00 0.00 H new ATOM 0 HD2 ARG A 138 120.882 0.417 -11.897 1.00 0.00 H new ATOM 0 HD3 ARG A 138 119.770 1.754 -12.112 1.00 0.00 H new ATOM 0 HE ARG A 138 122.329 1.466 -13.357 1.00 0.00 H new ATOM 0 HH11 ARG A 138 120.264 3.880 -11.817 1.00 0.00 H new ATOM 0 HH12 ARG A 138 120.949 5.223 -12.738 1.00 0.00 H new ATOM 0 HH21 ARG A 138 123.207 3.197 -14.533 1.00 0.00 H new ATOM 0 HH22 ARG A 138 122.608 4.838 -14.270 1.00 0.00 H new ATOM 450 N TRP A 139 123.791 3.991 -9.381 1.00 0.00 N ATOM 451 CA TRP A 139 123.859 5.438 -9.183 1.00 0.00 C ATOM 452 C TRP A 139 125.091 5.810 -8.364 1.00 0.00 C ATOM 453 O TRP A 139 125.821 6.740 -8.707 1.00 0.00 O ATOM 454 CB TRP A 139 122.592 5.922 -8.467 1.00 0.00 C ATOM 455 CG TRP A 139 122.383 5.273 -7.130 1.00 0.00 C ATOM 456 CD1 TRP A 139 123.145 5.438 -6.011 1.00 0.00 C ATOM 457 CD2 TRP A 139 121.353 4.344 -6.777 1.00 0.00 C ATOM 458 NE1 TRP A 139 122.654 4.669 -4.985 1.00 0.00 N ATOM 459 CE2 TRP A 139 121.555 3.987 -5.429 1.00 0.00 C ATOM 460 CE3 TRP A 139 120.280 3.777 -7.467 1.00 0.00 C ATOM 461 CZ2 TRP A 139 120.725 3.092 -4.762 1.00 0.00 C ATOM 462 CZ3 TRP A 139 119.457 2.890 -6.802 1.00 0.00 C ATOM 463 CH2 TRP A 139 119.683 2.554 -5.462 1.00 0.00 C ATOM 0 H TRP A 139 123.803 3.447 -8.518 1.00 0.00 H new ATOM 0 HA TRP A 139 123.932 5.921 -10.157 1.00 0.00 H new ATOM 0 HB2 TRP A 139 122.648 7.002 -8.334 1.00 0.00 H new ATOM 0 HB3 TRP A 139 121.727 5.723 -9.099 1.00 0.00 H new ATOM 0 HD1 TRP A 139 124.010 6.081 -5.942 1.00 0.00 H new ATOM 0 HE1 TRP A 139 123.045 4.615 -4.045 1.00 0.00 H new ATOM 0 HE3 TRP A 139 120.097 4.027 -8.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 120.898 2.832 -3.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 118.623 2.447 -7.326 1.00 0.00 H new ATOM 0 HH2 TRP A 139 119.020 1.856 -4.972 1.00 0.00 H new ATOM 474 N GLY A 140 125.319 5.064 -7.288 1.00 0.00 N ATOM 475 CA GLY A 140 126.465 5.305 -6.432 1.00 0.00 C ATOM 476 C GLY A 140 126.855 6.770 -6.338 1.00 0.00 C ATOM 477 O GLY A 140 128.044 7.081 -6.262 1.00 0.00 O ATOM 0 H GLY A 140 124.724 4.290 -6.992 1.00 0.00 H new ATOM 0 HA2 GLY A 140 126.246 4.931 -5.432 1.00 0.00 H new ATOM 0 HA3 GLY A 140 127.315 4.735 -6.807 1.00 0.00 H new ATOM 481 N ASN A 141 125.877 7.682 -6.365 1.00 0.00 N ATOM 482 CA ASN A 141 126.191 9.110 -6.305 1.00 0.00 C ATOM 483 C ASN A 141 125.370 9.846 -5.250 1.00 0.00 C ATOM 484 O ASN A 141 125.365 11.076 -5.215 1.00 0.00 O ATOM 485 CB ASN A 141 125.956 9.745 -7.672 1.00 0.00 C ATOM 486 CG ASN A 141 126.424 11.185 -7.732 1.00 0.00 C ATOM 487 OD1 ASN A 141 127.602 11.476 -7.524 1.00 0.00 O ATOM 488 ND2 ASN A 141 125.502 12.096 -8.017 1.00 0.00 N ATOM 0 H ASN A 141 124.883 7.462 -6.427 1.00 0.00 H new ATOM 0 HA ASN A 141 127.239 9.199 -6.021 1.00 0.00 H new ATOM 0 HB2 ASN A 141 126.478 9.165 -8.433 1.00 0.00 H new ATOM 0 HB3 ASN A 141 124.893 9.702 -7.911 1.00 0.00 H new ATOM 0 HD21 ASN A 141 125.759 13.082 -8.071 1.00 0.00 H new ATOM 0 HD22 ASN A 141 124.537 11.810 -8.182 1.00 0.00 H new ATOM 495 N THR A 142 124.625 9.109 -4.436 1.00 0.00 N ATOM 496 CA THR A 142 123.754 9.731 -3.449 1.00 0.00 C ATOM 497 C THR A 142 124.495 10.140 -2.182 1.00 0.00 C ATOM 498 O THR A 142 125.563 9.619 -1.862 1.00 0.00 O ATOM 499 CB THR A 142 122.662 8.748 -3.055 1.00 0.00 C ATOM 500 OG1 THR A 142 123.072 7.979 -1.937 1.00 0.00 O ATOM 501 CG2 THR A 142 122.331 7.766 -4.150 1.00 0.00 C ATOM 0 H THR A 142 124.606 8.089 -4.439 1.00 0.00 H new ATOM 0 HA THR A 142 123.345 10.630 -3.910 1.00 0.00 H new ATOM 0 HB THR A 142 121.785 9.358 -2.836 1.00 0.00 H new ATOM 0 HG1 THR A 142 123.956 7.593 -2.112 1.00 0.00 H new ATOM 0 HG21 THR A 142 121.546 7.092 -3.809 1.00 0.00 H new ATOM 0 HG22 THR A 142 121.987 8.307 -5.032 1.00 0.00 H new ATOM 0 HG23 THR A 142 123.221 7.189 -4.402 1.00 0.00 H new ATOM 509 N ASP A 143 123.880 11.071 -1.459 1.00 0.00 N ATOM 510 CA ASP A 143 124.410 11.578 -0.202 1.00 0.00 C ATOM 511 C ASP A 143 123.791 10.820 0.962 1.00 0.00 C ATOM 512 O ASP A 143 124.451 10.531 1.959 1.00 0.00 O ATOM 513 CB ASP A 143 124.099 13.072 -0.068 1.00 0.00 C ATOM 514 CG ASP A 143 122.618 13.375 -0.189 1.00 0.00 C ATOM 515 OD1 ASP A 143 121.834 12.432 -0.420 1.00 0.00 O ATOM 516 OD2 ASP A 143 122.243 14.559 -0.058 1.00 0.00 O ATOM 0 H ASP A 143 122.994 11.496 -1.732 1.00 0.00 H new ATOM 0 HA ASP A 143 125.491 11.436 -0.190 1.00 0.00 H new ATOM 0 HB2 ASP A 143 124.461 13.429 0.896 1.00 0.00 H new ATOM 0 HB3 ASP A 143 124.642 13.622 -0.836 1.00 0.00 H new ATOM 521 N ALA A 144 122.507 10.494 0.823 1.00 0.00 N ATOM 522 CA ALA A 144 121.812 9.766 1.864 1.00 0.00 C ATOM 523 C ALA A 144 122.560 8.478 2.166 1.00 0.00 C ATOM 524 O ALA A 144 122.824 8.152 3.323 1.00 0.00 O ATOM 525 CB ALA A 144 120.373 9.480 1.451 1.00 0.00 C ATOM 0 H ALA A 144 121.939 10.723 0.007 1.00 0.00 H new ATOM 0 HA ALA A 144 121.780 10.374 2.768 1.00 0.00 H new ATOM 0 HB1 ALA A 144 119.868 8.932 2.247 1.00 0.00 H new ATOM 0 HB2 ALA A 144 119.852 10.421 1.271 1.00 0.00 H new ATOM 0 HB3 ALA A 144 120.368 8.882 0.540 1.00 0.00 H new ATOM 531 N TYR A 145 122.902 7.736 1.094 1.00 0.00 N ATOM 532 CA TYR A 145 123.623 6.472 1.250 1.00 0.00 C ATOM 533 C TYR A 145 124.815 6.628 2.186 1.00 0.00 C ATOM 534 O TYR A 145 125.209 5.675 2.859 1.00 0.00 O ATOM 535 CB TYR A 145 124.098 5.969 -0.114 1.00 0.00 C ATOM 536 CG TYR A 145 124.675 4.574 -0.074 1.00 0.00 C ATOM 537 CD1 TYR A 145 123.887 3.498 0.305 1.00 0.00 C ATOM 538 CD2 TYR A 145 126.002 4.333 -0.409 1.00 0.00 C ATOM 539 CE1 TYR A 145 124.401 2.216 0.349 1.00 0.00 C ATOM 540 CE2 TYR A 145 126.525 3.054 -0.368 1.00 0.00 C ATOM 541 CZ TYR A 145 125.721 2.000 0.012 1.00 0.00 C ATOM 542 OH TYR A 145 126.238 0.725 0.055 1.00 0.00 O ATOM 0 H TYR A 145 122.692 7.990 0.129 1.00 0.00 H new ATOM 0 HA TYR A 145 122.939 5.745 1.688 1.00 0.00 H new ATOM 0 HB2 TYR A 145 123.260 5.987 -0.811 1.00 0.00 H new ATOM 0 HB3 TYR A 145 124.851 6.654 -0.503 1.00 0.00 H new ATOM 0 HD1 TYR A 145 122.853 3.665 0.570 1.00 0.00 H new ATOM 0 HD2 TYR A 145 126.634 5.157 -0.706 1.00 0.00 H new ATOM 0 HE1 TYR A 145 123.773 1.389 0.645 1.00 0.00 H new ATOM 0 HE2 TYR A 145 127.558 2.881 -0.632 1.00 0.00 H new ATOM 0 HH TYR A 145 127.181 0.745 -0.212 1.00 0.00 H new ATOM 552 N ARG A 146 125.378 7.828 2.246 1.00 0.00 N ATOM 553 CA ARG A 146 126.510 8.078 3.128 1.00 0.00 C ATOM 554 C ARG A 146 126.060 8.048 4.585 1.00 0.00 C ATOM 555 O ARG A 146 126.706 7.434 5.434 1.00 0.00 O ATOM 556 CB ARG A 146 127.162 9.423 2.806 1.00 0.00 C ATOM 557 CG ARG A 146 128.336 9.748 3.708 1.00 0.00 C ATOM 558 CD ARG A 146 128.971 11.080 3.342 1.00 0.00 C ATOM 559 NE ARG A 146 128.026 12.187 3.452 1.00 0.00 N ATOM 560 CZ ARG A 146 128.337 13.450 3.183 1.00 0.00 C ATOM 561 NH1 ARG A 146 129.565 13.763 2.790 1.00 0.00 N ATOM 562 NH2 ARG A 146 127.422 14.401 3.306 1.00 0.00 N ATOM 0 H ARG A 146 125.074 8.635 1.701 1.00 0.00 H new ATOM 0 HA ARG A 146 127.248 7.292 2.969 1.00 0.00 H new ATOM 0 HB2 ARG A 146 127.499 9.417 1.769 1.00 0.00 H new ATOM 0 HB3 ARG A 146 126.415 10.212 2.894 1.00 0.00 H new ATOM 0 HG2 ARG A 146 128.002 9.776 4.745 1.00 0.00 H new ATOM 0 HG3 ARG A 146 129.082 8.956 3.635 1.00 0.00 H new ATOM 0 HD2 ARG A 146 129.824 11.266 3.994 1.00 0.00 H new ATOM 0 HD3 ARG A 146 129.354 11.031 2.323 1.00 0.00 H new ATOM 0 HE ARG A 146 127.074 11.979 3.752 1.00 0.00 H new ATOM 0 HH11 ARG A 146 130.271 13.033 2.694 1.00 0.00 H new ATOM 0 HH12 ARG A 146 129.803 14.733 2.584 1.00 0.00 H new ATOM 0 HH21 ARG A 146 126.477 14.164 3.608 1.00 0.00 H new ATOM 0 HH22 ARG A 146 127.663 15.370 3.099 1.00 0.00 H new ATOM 576 N GLN A 147 124.937 8.705 4.863 1.00 0.00 N ATOM 577 CA GLN A 147 124.386 8.744 6.216 1.00 0.00 C ATOM 578 C GLN A 147 123.889 7.368 6.635 1.00 0.00 C ATOM 579 O GLN A 147 123.891 7.022 7.818 1.00 0.00 O ATOM 580 CB GLN A 147 123.230 9.746 6.296 1.00 0.00 C ATOM 581 CG GLN A 147 123.671 11.198 6.271 1.00 0.00 C ATOM 582 CD GLN A 147 124.563 11.524 5.091 1.00 0.00 C ATOM 583 OE1 GLN A 147 125.662 10.986 4.960 1.00 0.00 O ATOM 584 NE2 GLN A 147 124.093 12.410 4.220 1.00 0.00 N ATOM 0 H GLN A 147 124.391 9.217 4.171 1.00 0.00 H new ATOM 0 HA GLN A 147 125.182 9.057 6.892 1.00 0.00 H new ATOM 0 HB2 GLN A 147 122.550 9.569 5.463 1.00 0.00 H new ATOM 0 HB3 GLN A 147 122.667 9.563 7.211 1.00 0.00 H new ATOM 0 HG2 GLN A 147 122.790 11.839 6.242 1.00 0.00 H new ATOM 0 HG3 GLN A 147 124.202 11.427 7.195 1.00 0.00 H new ATOM 0 HE21 GLN A 147 123.176 12.832 4.367 1.00 0.00 H new ATOM 0 HE22 GLN A 147 124.649 12.668 3.405 1.00 0.00 H new ATOM 593 N SER A 148 123.448 6.595 5.654 1.00 0.00 N ATOM 594 CA SER A 148 122.922 5.263 5.904 1.00 0.00 C ATOM 595 C SER A 148 124.028 4.284 6.261 1.00 0.00 C ATOM 596 O SER A 148 123.917 3.544 7.238 1.00 0.00 O ATOM 597 CB SER A 148 122.174 4.768 4.676 1.00 0.00 C ATOM 598 OG SER A 148 123.070 4.461 3.622 1.00 0.00 O ATOM 0 H SER A 148 123.445 6.870 4.672 1.00 0.00 H new ATOM 0 HA SER A 148 122.241 5.324 6.753 1.00 0.00 H new ATOM 0 HB2 SER A 148 121.593 3.882 4.933 1.00 0.00 H new ATOM 0 HB3 SER A 148 121.467 5.529 4.346 1.00 0.00 H new ATOM 0 HG SER A 148 123.860 5.037 3.686 1.00 0.00 H new ATOM 604 N LYS A 149 125.095 4.277 5.474 1.00 0.00 N ATOM 605 CA LYS A 149 126.207 3.377 5.732 1.00 0.00 C ATOM 606 C LYS A 149 126.667 3.526 7.173 1.00 0.00 C ATOM 607 O LYS A 149 126.960 2.542 7.853 1.00 0.00 O ATOM 608 CB LYS A 149 127.365 3.672 4.779 1.00 0.00 C ATOM 609 CG LYS A 149 128.642 2.911 5.109 1.00 0.00 C ATOM 610 CD LYS A 149 128.461 1.398 5.042 1.00 0.00 C ATOM 611 CE LYS A 149 128.111 0.920 3.639 1.00 0.00 C ATOM 612 NZ LYS A 149 126.718 1.272 3.249 1.00 0.00 N ATOM 0 H LYS A 149 125.213 4.879 4.659 1.00 0.00 H new ATOM 0 HA LYS A 149 125.875 2.352 5.566 1.00 0.00 H new ATOM 0 HB2 LYS A 149 127.059 3.425 3.763 1.00 0.00 H new ATOM 0 HB3 LYS A 149 127.575 4.741 4.798 1.00 0.00 H new ATOM 0 HG2 LYS A 149 129.427 3.210 4.415 1.00 0.00 H new ATOM 0 HG3 LYS A 149 128.977 3.189 6.108 1.00 0.00 H new ATOM 0 HD2 LYS A 149 129.378 0.910 5.372 1.00 0.00 H new ATOM 0 HD3 LYS A 149 127.673 1.097 5.733 1.00 0.00 H new ATOM 0 HE2 LYS A 149 128.807 1.359 2.925 1.00 0.00 H new ATOM 0 HE3 LYS A 149 128.238 -0.161 3.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 126.298 0.486 2.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 126.153 1.450 4.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 126.729 2.127 2.657 1.00 0.00 H new ATOM 626 N GLU A 150 126.716 4.768 7.634 1.00 0.00 N ATOM 627 CA GLU A 150 127.125 5.064 8.998 1.00 0.00 C ATOM 628 C GLU A 150 126.184 4.367 9.982 1.00 0.00 C ATOM 629 O GLU A 150 126.609 3.840 11.010 1.00 0.00 O ATOM 630 CB GLU A 150 127.105 6.582 9.221 1.00 0.00 C ATOM 631 CG GLU A 150 128.232 7.088 10.104 1.00 0.00 C ATOM 632 CD GLU A 150 128.079 8.556 10.457 1.00 0.00 C ATOM 633 OE1 GLU A 150 127.093 9.175 10.009 1.00 0.00 O ATOM 634 OE2 GLU A 150 128.949 9.085 11.181 1.00 0.00 O ATOM 0 H GLU A 150 126.476 5.590 7.080 1.00 0.00 H new ATOM 0 HA GLU A 150 128.138 4.696 9.164 1.00 0.00 H new ATOM 0 HB2 GLU A 150 127.161 7.082 8.254 1.00 0.00 H new ATOM 0 HB3 GLU A 150 126.152 6.861 9.670 1.00 0.00 H new ATOM 0 HG2 GLU A 150 128.264 6.499 11.020 1.00 0.00 H new ATOM 0 HG3 GLU A 150 129.184 6.937 9.595 1.00 0.00 H new ATOM 641 N LYS A 151 124.897 4.382 9.643 1.00 0.00 N ATOM 642 CA LYS A 151 123.856 3.773 10.458 1.00 0.00 C ATOM 643 C LYS A 151 123.790 2.255 10.297 1.00 0.00 C ATOM 644 O LYS A 151 123.523 1.541 11.262 1.00 0.00 O ATOM 645 CB LYS A 151 122.503 4.375 10.071 1.00 0.00 C ATOM 646 CG LYS A 151 122.379 5.859 10.371 1.00 0.00 C ATOM 647 CD LYS A 151 122.286 6.126 11.857 1.00 0.00 C ATOM 648 CE LYS A 151 121.024 5.515 12.459 1.00 0.00 C ATOM 649 NZ LYS A 151 120.775 6.008 13.843 1.00 0.00 N ATOM 0 H LYS A 151 124.548 4.820 8.790 1.00 0.00 H new ATOM 0 HA LYS A 151 124.097 3.980 11.501 1.00 0.00 H new ATOM 0 HB2 LYS A 151 122.337 4.215 9.006 1.00 0.00 H new ATOM 0 HB3 LYS A 151 121.714 3.841 10.600 1.00 0.00 H new ATOM 0 HG2 LYS A 151 123.240 6.386 9.960 1.00 0.00 H new ATOM 0 HG3 LYS A 151 121.495 6.258 9.874 1.00 0.00 H new ATOM 0 HD2 LYS A 151 123.164 5.716 12.357 1.00 0.00 H new ATOM 0 HD3 LYS A 151 122.291 7.201 12.035 1.00 0.00 H new ATOM 0 HE2 LYS A 151 120.168 5.755 11.828 1.00 0.00 H new ATOM 0 HE3 LYS A 151 121.116 4.429 12.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 151 119.909 5.570 14.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 151 121.581 5.757 14.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 151 120.661 7.042 13.828 1.00 0.00 H new ATOM 663 N THR A 152 124.011 1.760 9.083 1.00 0.00 N ATOM 664 CA THR A 152 123.941 0.326 8.827 1.00 0.00 C ATOM 665 C THR A 152 125.280 -0.331 9.093 1.00 0.00 C ATOM 666 O THR A 152 125.464 -1.523 8.847 1.00 0.00 O ATOM 667 CB THR A 152 123.496 0.063 7.390 1.00 0.00 C ATOM 668 OG1 THR A 152 124.507 0.441 6.472 1.00 0.00 O ATOM 669 CG2 THR A 152 122.233 0.806 7.011 1.00 0.00 C ATOM 0 H THR A 152 124.239 2.327 8.266 1.00 0.00 H new ATOM 0 HA THR A 152 123.205 -0.108 9.505 1.00 0.00 H new ATOM 0 HB THR A 152 123.300 -1.008 7.341 1.00 0.00 H new ATOM 0 HG1 THR A 152 124.202 0.263 5.558 1.00 0.00 H new ATOM 0 HG21 THR A 152 121.971 0.576 5.978 1.00 0.00 H new ATOM 0 HG22 THR A 152 121.419 0.499 7.668 1.00 0.00 H new ATOM 0 HG23 THR A 152 122.397 1.879 7.113 1.00 0.00 H new ATOM 677 N ALA A 153 126.215 0.464 9.578 1.00 0.00 N ATOM 678 CA ALA A 153 127.551 -0.016 9.862 1.00 0.00 C ATOM 679 C ALA A 153 127.556 -1.220 10.809 1.00 0.00 C ATOM 680 O ALA A 153 128.357 -2.139 10.638 1.00 0.00 O ATOM 681 CB ALA A 153 128.399 1.107 10.438 1.00 0.00 C ATOM 0 H ALA A 153 126.070 1.452 9.784 1.00 0.00 H new ATOM 0 HA ALA A 153 127.978 -0.351 8.917 1.00 0.00 H new ATOM 0 HB1 ALA A 153 129.402 0.735 10.648 1.00 0.00 H new ATOM 0 HB2 ALA A 153 128.458 1.924 9.719 1.00 0.00 H new ATOM 0 HB3 ALA A 153 127.946 1.469 11.361 1.00 0.00 H new ATOM 687 N SER A 154 126.696 -1.198 11.832 1.00 0.00 N ATOM 688 CA SER A 154 126.657 -2.282 12.822 1.00 0.00 C ATOM 689 C SER A 154 125.370 -3.114 12.780 1.00 0.00 C ATOM 690 O SER A 154 125.296 -4.158 13.428 1.00 0.00 O ATOM 691 CB SER A 154 126.834 -1.699 14.225 1.00 0.00 C ATOM 692 OG SER A 154 125.804 -0.774 14.527 1.00 0.00 O ATOM 0 H SER A 154 126.023 -0.450 11.997 1.00 0.00 H new ATOM 0 HA SER A 154 127.474 -2.958 12.569 1.00 0.00 H new ATOM 0 HB2 SER A 154 126.831 -2.504 14.960 1.00 0.00 H new ATOM 0 HB3 SER A 154 127.803 -1.205 14.297 1.00 0.00 H new ATOM 0 HG SER A 154 125.939 -0.417 15.430 1.00 0.00 H new ATOM 698 N TYR A 155 124.357 -2.666 12.041 1.00 0.00 N ATOM 699 CA TYR A 155 123.093 -3.412 11.968 1.00 0.00 C ATOM 700 C TYR A 155 123.323 -4.920 12.004 1.00 0.00 C ATOM 701 O TYR A 155 124.195 -5.453 11.318 1.00 0.00 O ATOM 702 CB TYR A 155 122.303 -3.049 10.711 1.00 0.00 C ATOM 703 CG TYR A 155 121.392 -1.851 10.876 1.00 0.00 C ATOM 704 CD1 TYR A 155 121.860 -0.668 11.430 1.00 0.00 C ATOM 705 CD2 TYR A 155 120.064 -1.898 10.457 1.00 0.00 C ATOM 706 CE1 TYR A 155 121.035 0.432 11.565 1.00 0.00 C ATOM 707 CE2 TYR A 155 119.236 -0.802 10.592 1.00 0.00 C ATOM 708 CZ TYR A 155 119.725 0.360 11.145 1.00 0.00 C ATOM 709 OH TYR A 155 118.901 1.454 11.278 1.00 0.00 O ATOM 0 H TYR A 155 124.380 -1.807 11.492 1.00 0.00 H new ATOM 0 HA TYR A 155 122.514 -3.127 12.846 1.00 0.00 H new ATOM 0 HB2 TYR A 155 123.003 -2.850 9.900 1.00 0.00 H new ATOM 0 HB3 TYR A 155 121.704 -3.909 10.411 1.00 0.00 H new ATOM 0 HD1 TYR A 155 122.886 -0.606 11.761 1.00 0.00 H new ATOM 0 HD2 TYR A 155 119.676 -2.806 10.020 1.00 0.00 H new ATOM 0 HE1 TYR A 155 121.416 1.345 11.998 1.00 0.00 H new ATOM 0 HE2 TYR A 155 118.208 -0.856 10.265 1.00 0.00 H new ATOM 0 HH TYR A 155 118.211 1.430 10.583 1.00 0.00 H new ATOM 719 N THR A 156 122.523 -5.589 12.822 1.00 0.00 N ATOM 720 CA THR A 156 122.594 -7.037 12.995 1.00 0.00 C ATOM 721 C THR A 156 121.384 -7.721 12.369 1.00 0.00 C ATOM 722 O THR A 156 120.459 -7.055 11.901 1.00 0.00 O ATOM 723 CB THR A 156 122.656 -7.375 14.484 1.00 0.00 C ATOM 724 OG1 THR A 156 121.645 -6.683 15.194 1.00 0.00 O ATOM 725 CG2 THR A 156 123.985 -7.031 15.121 1.00 0.00 C ATOM 0 H THR A 156 121.802 -5.142 13.388 1.00 0.00 H new ATOM 0 HA THR A 156 123.493 -7.398 12.496 1.00 0.00 H new ATOM 0 HB THR A 156 122.514 -8.454 14.544 1.00 0.00 H new ATOM 0 HG1 THR A 156 121.738 -6.862 16.153 1.00 0.00 H new ATOM 0 HG21 THR A 156 123.961 -7.296 16.178 1.00 0.00 H new ATOM 0 HG22 THR A 156 124.781 -7.587 14.625 1.00 0.00 H new ATOM 0 HG23 THR A 156 124.171 -5.962 15.019 1.00 0.00 H new ATOM 733 N LYS A 157 121.389 -9.052 12.366 1.00 0.00 N ATOM 734 CA LYS A 157 120.282 -9.811 11.796 1.00 0.00 C ATOM 735 C LYS A 157 118.946 -9.403 12.416 1.00 0.00 C ATOM 736 O LYS A 157 117.921 -9.400 11.738 1.00 0.00 O ATOM 737 CB LYS A 157 120.506 -11.321 11.964 1.00 0.00 C ATOM 738 CG LYS A 157 121.385 -11.691 13.148 1.00 0.00 C ATOM 739 CD LYS A 157 121.419 -13.191 13.370 1.00 0.00 C ATOM 740 CE LYS A 157 120.104 -13.717 13.928 1.00 0.00 C ATOM 741 NZ LYS A 157 119.698 -12.997 15.167 1.00 0.00 N ATOM 0 H LYS A 157 122.142 -9.623 12.749 1.00 0.00 H new ATOM 0 HA LYS A 157 120.246 -9.581 10.731 1.00 0.00 H new ATOM 0 HB2 LYS A 157 119.539 -11.810 12.077 1.00 0.00 H new ATOM 0 HB3 LYS A 157 120.958 -11.714 11.053 1.00 0.00 H new ATOM 0 HG2 LYS A 157 122.398 -11.324 12.979 1.00 0.00 H new ATOM 0 HG3 LYS A 157 121.013 -11.198 14.046 1.00 0.00 H new ATOM 0 HD2 LYS A 157 121.638 -13.692 12.427 1.00 0.00 H new ATOM 0 HD3 LYS A 157 122.228 -13.437 14.057 1.00 0.00 H new ATOM 0 HE2 LYS A 157 119.323 -13.613 13.175 1.00 0.00 H new ATOM 0 HE3 LYS A 157 120.200 -14.781 14.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 119.015 -13.575 15.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 120.536 -12.823 15.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 119.260 -12.089 14.913 1.00 0.00 H new ATOM 755 N GLU A 158 118.959 -9.059 13.702 1.00 0.00 N ATOM 756 CA GLU A 158 117.732 -8.650 14.383 1.00 0.00 C ATOM 757 C GLU A 158 117.177 -7.381 13.772 1.00 0.00 C ATOM 758 O GLU A 158 116.012 -7.309 13.387 1.00 0.00 O ATOM 759 CB GLU A 158 118.005 -8.414 15.859 1.00 0.00 C ATOM 760 CG GLU A 158 119.273 -7.627 16.138 1.00 0.00 C ATOM 761 CD GLU A 158 119.516 -7.422 17.621 1.00 0.00 C ATOM 762 OE1 GLU A 158 118.655 -6.807 18.284 1.00 0.00 O ATOM 763 OE2 GLU A 158 120.567 -7.878 18.119 1.00 0.00 O ATOM 0 H GLU A 158 119.794 -9.055 14.288 1.00 0.00 H new ATOM 0 HA GLU A 158 117.001 -9.450 14.269 1.00 0.00 H new ATOM 0 HB2 GLU A 158 117.158 -7.883 16.294 1.00 0.00 H new ATOM 0 HB3 GLU A 158 118.070 -9.378 16.364 1.00 0.00 H new ATOM 0 HG2 GLU A 158 120.124 -8.150 15.703 1.00 0.00 H new ATOM 0 HG3 GLU A 158 119.210 -6.656 15.646 1.00 0.00 H new ATOM 770 N ASP A 159 118.032 -6.394 13.662 1.00 0.00 N ATOM 771 CA ASP A 159 117.651 -5.127 13.064 1.00 0.00 C ATOM 772 C ASP A 159 117.167 -5.365 11.645 1.00 0.00 C ATOM 773 O ASP A 159 116.213 -4.742 11.182 1.00 0.00 O ATOM 774 CB ASP A 159 118.842 -4.171 13.051 1.00 0.00 C ATOM 775 CG ASP A 159 119.248 -3.729 14.442 1.00 0.00 C ATOM 776 OD1 ASP A 159 118.602 -4.167 15.417 1.00 0.00 O ATOM 777 OD2 ASP A 159 120.212 -2.943 14.559 1.00 0.00 O ATOM 0 H ASP A 159 119.001 -6.439 13.978 1.00 0.00 H new ATOM 0 HA ASP A 159 116.850 -4.680 13.653 1.00 0.00 H new ATOM 0 HB2 ASP A 159 119.689 -4.657 12.567 1.00 0.00 H new ATOM 0 HB3 ASP A 159 118.593 -3.294 12.453 1.00 0.00 H new ATOM 782 N TRP A 160 117.838 -6.276 10.965 1.00 0.00 N ATOM 783 CA TRP A 160 117.491 -6.605 9.585 1.00 0.00 C ATOM 784 C TRP A 160 116.202 -7.420 9.500 1.00 0.00 C ATOM 785 O TRP A 160 115.404 -7.228 8.582 1.00 0.00 O ATOM 786 CB TRP A 160 118.635 -7.349 8.897 1.00 0.00 C ATOM 787 CG TRP A 160 119.862 -6.508 8.701 1.00 0.00 C ATOM 788 CD1 TRP A 160 121.104 -6.739 9.215 1.00 0.00 C ATOM 789 CD2 TRP A 160 119.962 -5.298 7.937 1.00 0.00 C ATOM 790 NE1 TRP A 160 121.974 -5.754 8.811 1.00 0.00 N ATOM 791 CE2 TRP A 160 121.295 -4.856 8.030 1.00 0.00 C ATOM 792 CE3 TRP A 160 119.056 -4.547 7.182 1.00 0.00 C ATOM 793 CZ2 TRP A 160 121.743 -3.698 7.399 1.00 0.00 C ATOM 794 CZ3 TRP A 160 119.501 -3.398 6.556 1.00 0.00 C ATOM 795 CH2 TRP A 160 120.833 -2.983 6.668 1.00 0.00 C ATOM 0 H TRP A 160 118.626 -6.804 11.340 1.00 0.00 H new ATOM 0 HA TRP A 160 117.322 -5.662 9.064 1.00 0.00 H new ATOM 0 HB2 TRP A 160 118.896 -8.226 9.489 1.00 0.00 H new ATOM 0 HB3 TRP A 160 118.292 -7.710 7.927 1.00 0.00 H new ATOM 0 HD1 TRP A 160 121.366 -7.574 9.847 1.00 0.00 H new ATOM 0 HE1 TRP A 160 122.963 -5.700 9.053 1.00 0.00 H new ATOM 0 HE3 TRP A 160 118.026 -4.859 7.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 160 122.770 -3.376 7.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 160 118.809 -2.810 5.971 1.00 0.00 H new ATOM 0 HH2 TRP A 160 121.149 -2.080 6.167 1.00 0.00 H new ATOM 806 N GLN A 161 115.990 -8.325 10.452 1.00 0.00 N ATOM 807 CA GLN A 161 114.781 -9.145 10.451 1.00 0.00 C ATOM 808 C GLN A 161 113.593 -8.303 10.895 1.00 0.00 C ATOM 809 O GLN A 161 112.475 -8.485 10.417 1.00 0.00 O ATOM 810 CB GLN A 161 114.944 -10.375 11.359 1.00 0.00 C ATOM 811 CG GLN A 161 114.590 -10.133 12.819 1.00 0.00 C ATOM 812 CD GLN A 161 113.093 -10.060 13.064 1.00 0.00 C ATOM 813 OE1 GLN A 161 112.649 -9.810 14.185 1.00 0.00 O ATOM 814 NE2 GLN A 161 112.306 -10.286 12.018 1.00 0.00 N ATOM 0 H GLN A 161 116.630 -8.508 11.225 1.00 0.00 H new ATOM 0 HA GLN A 161 114.605 -9.506 9.438 1.00 0.00 H new ATOM 0 HB2 GLN A 161 114.317 -11.180 10.975 1.00 0.00 H new ATOM 0 HB3 GLN A 161 115.977 -10.719 11.301 1.00 0.00 H new ATOM 0 HG2 GLN A 161 115.013 -10.933 13.427 1.00 0.00 H new ATOM 0 HG3 GLN A 161 115.052 -9.203 13.150 1.00 0.00 H new ATOM 0 HE21 GLN A 161 112.715 -10.490 11.106 1.00 0.00 H new ATOM 0 HE22 GLN A 161 111.292 -10.256 12.127 1.00 0.00 H new ATOM 823 N ARG A 162 113.855 -7.367 11.803 1.00 0.00 N ATOM 824 CA ARG A 162 112.822 -6.477 12.305 1.00 0.00 C ATOM 825 C ARG A 162 112.190 -5.704 11.153 1.00 0.00 C ATOM 826 O ARG A 162 110.989 -5.437 11.151 1.00 0.00 O ATOM 827 CB ARG A 162 113.420 -5.510 13.327 1.00 0.00 C ATOM 828 CG ARG A 162 112.447 -4.457 13.833 1.00 0.00 C ATOM 829 CD ARG A 162 111.256 -5.080 14.546 1.00 0.00 C ATOM 830 NE ARG A 162 110.374 -4.071 15.126 1.00 0.00 N ATOM 831 CZ ARG A 162 110.740 -3.240 16.098 1.00 0.00 C ATOM 832 NH1 ARG A 162 111.960 -3.314 16.614 1.00 0.00 N ATOM 833 NH2 ARG A 162 109.883 -2.341 16.560 1.00 0.00 N ATOM 0 H ARG A 162 114.779 -7.208 12.205 1.00 0.00 H new ATOM 0 HA ARG A 162 112.048 -7.070 12.792 1.00 0.00 H new ATOM 0 HB2 ARG A 162 113.793 -6.082 14.177 1.00 0.00 H new ATOM 0 HB3 ARG A 162 114.278 -5.010 12.878 1.00 0.00 H new ATOM 0 HG2 ARG A 162 112.965 -3.782 14.514 1.00 0.00 H new ATOM 0 HG3 ARG A 162 112.094 -3.856 12.995 1.00 0.00 H new ATOM 0 HD2 ARG A 162 110.692 -5.692 13.842 1.00 0.00 H new ATOM 0 HD3 ARG A 162 111.612 -5.745 15.333 1.00 0.00 H new ATOM 0 HE ARG A 162 109.423 -3.999 14.765 1.00 0.00 H new ATOM 0 HH11 ARG A 162 112.620 -4.009 16.265 1.00 0.00 H new ATOM 0 HH12 ARG A 162 112.238 -2.676 17.359 1.00 0.00 H new ATOM 0 HH21 ARG A 162 108.942 -2.286 16.170 1.00 0.00 H new ATOM 0 HH22 ARG A 162 110.164 -1.704 17.305 1.00 0.00 H new ATOM 847 N ILE A 163 113.014 -5.344 10.173 1.00 0.00 N ATOM 848 CA ILE A 163 112.540 -4.603 9.012 1.00 0.00 C ATOM 849 C ILE A 163 111.736 -5.496 8.068 1.00 0.00 C ATOM 850 O ILE A 163 110.776 -5.043 7.446 1.00 0.00 O ATOM 851 CB ILE A 163 113.705 -3.973 8.228 1.00 0.00 C ATOM 852 CG1 ILE A 163 114.487 -3.003 9.116 1.00 0.00 C ATOM 853 CG2 ILE A 163 113.186 -3.266 6.986 1.00 0.00 C ATOM 854 CD1 ILE A 163 113.651 -1.873 9.675 1.00 0.00 C ATOM 0 H ILE A 163 114.012 -5.554 10.161 1.00 0.00 H new ATOM 0 HA ILE A 163 111.896 -3.811 9.394 1.00 0.00 H new ATOM 0 HB ILE A 163 114.382 -4.768 7.914 1.00 0.00 H new ATOM 0 HG12 ILE A 163 114.928 -3.559 9.943 1.00 0.00 H new ATOM 0 HG13 ILE A 163 115.311 -2.582 8.540 1.00 0.00 H new ATOM 0 HG21 ILE A 163 114.022 -2.826 6.442 1.00 0.00 H new ATOM 0 HG22 ILE A 163 112.674 -3.984 6.345 1.00 0.00 H new ATOM 0 HG23 ILE A 163 112.489 -2.480 7.279 1.00 0.00 H new ATOM 0 HD11 ILE A 163 114.276 -1.229 10.293 1.00 0.00 H new ATOM 0 HD12 ILE A 163 113.231 -1.291 8.855 1.00 0.00 H new ATOM 0 HD13 ILE A 163 112.843 -2.283 10.280 1.00 0.00 H new ATOM 866 N GLN A 164 112.135 -6.762 7.952 1.00 0.00 N ATOM 867 CA GLN A 164 111.437 -7.691 7.064 1.00 0.00 C ATOM 868 C GLN A 164 110.028 -7.968 7.575 1.00 0.00 C ATOM 869 O GLN A 164 109.054 -7.777 6.848 1.00 0.00 O ATOM 870 CB GLN A 164 112.226 -8.995 6.901 1.00 0.00 C ATOM 871 CG GLN A 164 111.645 -9.943 5.859 1.00 0.00 C ATOM 872 CD GLN A 164 110.391 -10.660 6.328 1.00 0.00 C ATOM 873 OE1 GLN A 164 109.729 -11.343 5.548 1.00 0.00 O ATOM 874 NE2 GLN A 164 110.069 -10.529 7.610 1.00 0.00 N ATOM 0 H GLN A 164 112.927 -7.164 8.454 1.00 0.00 H new ATOM 0 HA GLN A 164 111.358 -7.224 6.082 1.00 0.00 H new ATOM 0 HB2 GLN A 164 113.253 -8.755 6.626 1.00 0.00 H new ATOM 0 HB3 GLN A 164 112.265 -9.507 7.862 1.00 0.00 H new ATOM 0 HG2 GLN A 164 111.416 -9.380 4.954 1.00 0.00 H new ATOM 0 HG3 GLN A 164 112.399 -10.683 5.591 1.00 0.00 H new ATOM 0 HE21 GLN A 164 110.645 -9.953 8.224 1.00 0.00 H new ATOM 0 HE22 GLN A 164 109.246 -11.004 7.980 1.00 0.00 H new ATOM 883 N ASP A 165 109.910 -8.396 8.828 1.00 0.00 N ATOM 884 CA ASP A 165 108.596 -8.661 9.402 1.00 0.00 C ATOM 885 C ASP A 165 107.736 -7.408 9.276 1.00 0.00 C ATOM 886 O ASP A 165 106.517 -7.474 9.117 1.00 0.00 O ATOM 887 CB ASP A 165 108.719 -9.076 10.870 1.00 0.00 C ATOM 888 CG ASP A 165 109.403 -8.021 11.707 1.00 0.00 C ATOM 889 OD1 ASP A 165 110.550 -7.671 11.383 1.00 0.00 O ATOM 890 OD2 ASP A 165 108.790 -7.547 12.687 1.00 0.00 O ATOM 0 H ASP A 165 110.695 -8.565 9.457 1.00 0.00 H new ATOM 0 HA ASP A 165 108.128 -9.483 8.860 1.00 0.00 H new ATOM 0 HB2 ASP A 165 107.726 -9.271 11.275 1.00 0.00 H new ATOM 0 HB3 ASP A 165 109.279 -10.009 10.936 1.00 0.00 H new ATOM 895 N GLU A 166 108.411 -6.267 9.330 1.00 0.00 N ATOM 896 CA GLU A 166 107.754 -4.973 9.204 1.00 0.00 C ATOM 897 C GLU A 166 107.325 -4.749 7.757 1.00 0.00 C ATOM 898 O GLU A 166 106.230 -4.253 7.488 1.00 0.00 O ATOM 899 CB GLU A 166 108.689 -3.850 9.664 1.00 0.00 C ATOM 900 CG GLU A 166 108.043 -2.473 9.669 1.00 0.00 C ATOM 901 CD GLU A 166 107.636 -2.007 8.285 1.00 0.00 C ATOM 902 OE1 GLU A 166 108.522 -1.893 7.412 1.00 0.00 O ATOM 903 OE2 GLU A 166 106.430 -1.758 8.073 1.00 0.00 O ATOM 0 H GLU A 166 109.421 -6.212 9.461 1.00 0.00 H new ATOM 0 HA GLU A 166 106.869 -4.963 9.841 1.00 0.00 H new ATOM 0 HB2 GLU A 166 109.046 -4.077 10.669 1.00 0.00 H new ATOM 0 HB3 GLU A 166 109.563 -3.828 9.013 1.00 0.00 H new ATOM 0 HG2 GLU A 166 107.164 -2.492 10.313 1.00 0.00 H new ATOM 0 HG3 GLU A 166 108.739 -1.753 10.099 1.00 0.00 H new ATOM 910 N ALA A 167 108.200 -5.127 6.830 1.00 0.00 N ATOM 911 CA ALA A 167 107.923 -4.976 5.408 1.00 0.00 C ATOM 912 C ALA A 167 106.795 -5.902 4.964 1.00 0.00 C ATOM 913 O ALA A 167 105.939 -5.512 4.174 1.00 0.00 O ATOM 914 CB ALA A 167 109.180 -5.245 4.594 1.00 0.00 C ATOM 0 H ALA A 167 109.108 -5.541 7.040 1.00 0.00 H new ATOM 0 HA ALA A 167 107.603 -3.949 5.234 1.00 0.00 H new ATOM 0 HB1 ALA A 167 108.958 -5.129 3.533 1.00 0.00 H new ATOM 0 HB2 ALA A 167 109.958 -4.538 4.882 1.00 0.00 H new ATOM 0 HB3 ALA A 167 109.525 -6.261 4.783 1.00 0.00 H new ATOM 920 N ASP A 168 106.791 -7.130 5.476 1.00 0.00 N ATOM 921 CA ASP A 168 105.750 -8.084 5.115 1.00 0.00 C ATOM 922 C ASP A 168 104.384 -7.476 5.408 1.00 0.00 C ATOM 923 O ASP A 168 103.462 -7.545 4.592 1.00 0.00 O ATOM 924 CB ASP A 168 105.922 -9.401 5.883 1.00 0.00 C ATOM 925 CG ASP A 168 105.311 -9.361 7.273 1.00 0.00 C ATOM 926 OD1 ASP A 168 104.091 -9.115 7.378 1.00 0.00 O ATOM 927 OD2 ASP A 168 106.047 -9.587 8.252 1.00 0.00 O ATOM 0 H ASP A 168 107.487 -7.483 6.133 1.00 0.00 H new ATOM 0 HA ASP A 168 105.829 -8.305 4.051 1.00 0.00 H new ATOM 0 HB2 ASP A 168 105.464 -10.210 5.314 1.00 0.00 H new ATOM 0 HB3 ASP A 168 106.984 -9.631 5.965 1.00 0.00 H new ATOM 932 N GLU A 169 104.275 -6.861 6.582 1.00 0.00 N ATOM 933 CA GLU A 169 103.040 -6.216 6.997 1.00 0.00 C ATOM 934 C GLU A 169 102.584 -5.215 5.945 1.00 0.00 C ATOM 935 O GLU A 169 101.398 -5.113 5.629 1.00 0.00 O ATOM 936 CB GLU A 169 103.238 -5.502 8.334 1.00 0.00 C ATOM 937 CG GLU A 169 102.025 -4.703 8.775 1.00 0.00 C ATOM 938 CD GLU A 169 102.226 -4.028 10.117 1.00 0.00 C ATOM 939 OE1 GLU A 169 102.466 -4.743 11.113 1.00 0.00 O ATOM 940 OE2 GLU A 169 102.145 -2.783 10.173 1.00 0.00 O ATOM 0 H GLU A 169 105.032 -6.797 7.263 1.00 0.00 H new ATOM 0 HA GLU A 169 102.274 -6.983 7.112 1.00 0.00 H new ATOM 0 HB2 GLU A 169 103.476 -6.240 9.100 1.00 0.00 H new ATOM 0 HB3 GLU A 169 104.096 -4.834 8.257 1.00 0.00 H new ATOM 0 HG2 GLU A 169 101.800 -3.947 8.023 1.00 0.00 H new ATOM 0 HG3 GLU A 169 101.160 -5.364 8.831 1.00 0.00 H new ATOM 947 N LEU A 170 103.549 -4.481 5.410 1.00 0.00 N ATOM 948 CA LEU A 170 103.303 -3.477 4.403 1.00 0.00 C ATOM 949 C LEU A 170 102.557 -4.045 3.195 1.00 0.00 C ATOM 950 O LEU A 170 101.675 -3.394 2.639 1.00 0.00 O ATOM 951 CB LEU A 170 104.652 -2.900 3.981 1.00 0.00 C ATOM 952 CG LEU A 170 104.587 -1.563 3.266 1.00 0.00 C ATOM 953 CD1 LEU A 170 105.929 -0.855 3.344 1.00 0.00 C ATOM 954 CD2 LEU A 170 104.171 -1.750 1.816 1.00 0.00 C ATOM 0 H LEU A 170 104.531 -4.572 5.670 1.00 0.00 H new ATOM 0 HA LEU A 170 102.664 -2.699 4.819 1.00 0.00 H new ATOM 0 HB2 LEU A 170 105.276 -2.790 4.868 1.00 0.00 H new ATOM 0 HB3 LEU A 170 105.149 -3.619 3.329 1.00 0.00 H new ATOM 0 HG LEU A 170 103.838 -0.945 3.761 1.00 0.00 H new ATOM 0 HD11 LEU A 170 105.866 0.102 2.827 1.00 0.00 H new ATOM 0 HD12 LEU A 170 106.191 -0.686 4.388 1.00 0.00 H new ATOM 0 HD13 LEU A 170 106.694 -1.472 2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 170 104.130 -0.780 1.321 1.00 0.00 H new ATOM 0 HD22 LEU A 170 104.896 -2.386 1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 170 103.188 -2.219 1.777 1.00 0.00 H new ATOM 966 N THR A 171 102.923 -5.249 2.779 1.00 0.00 N ATOM 967 CA THR A 171 102.296 -5.874 1.613 1.00 0.00 C ATOM 968 C THR A 171 100.821 -6.188 1.811 1.00 0.00 C ATOM 969 O THR A 171 99.998 -5.806 0.983 1.00 0.00 O ATOM 970 CB THR A 171 103.044 -7.144 1.207 1.00 0.00 C ATOM 971 OG1 THR A 171 103.562 -7.810 2.343 1.00 0.00 O ATOM 972 CG2 THR A 171 104.183 -6.894 0.252 1.00 0.00 C ATOM 0 H THR A 171 103.646 -5.813 3.225 1.00 0.00 H new ATOM 0 HA THR A 171 102.359 -5.136 0.813 1.00 0.00 H new ATOM 0 HB THR A 171 102.303 -7.760 0.698 1.00 0.00 H new ATOM 0 HG1 THR A 171 103.015 -7.593 3.127 1.00 0.00 H new ATOM 0 HG21 THR A 171 104.667 -7.839 0.008 1.00 0.00 H new ATOM 0 HG22 THR A 171 103.799 -6.437 -0.660 1.00 0.00 H new ATOM 0 HG23 THR A 171 104.907 -6.225 0.717 1.00 0.00 H new ATOM 980 N ARG A 172 100.468 -6.905 2.858 1.00 0.00 N ATOM 981 CA ARG A 172 99.081 -7.259 3.036 1.00 0.00 C ATOM 982 C ARG A 172 98.172 -6.054 2.932 1.00 0.00 C ATOM 983 O ARG A 172 97.191 -6.079 2.191 1.00 0.00 O ATOM 984 CB ARG A 172 98.837 -7.918 4.376 1.00 0.00 C ATOM 985 CG ARG A 172 99.837 -9.008 4.726 1.00 0.00 C ATOM 986 CD ARG A 172 100.916 -8.494 5.653 1.00 0.00 C ATOM 987 NE ARG A 172 100.385 -8.173 6.977 1.00 0.00 N ATOM 988 CZ ARG A 172 99.867 -9.076 7.803 1.00 0.00 C ATOM 989 NH1 ARG A 172 99.826 -10.355 7.454 1.00 0.00 N ATOM 990 NH2 ARG A 172 99.393 -8.702 8.985 1.00 0.00 N ATOM 0 H ARG A 172 101.105 -7.245 3.579 1.00 0.00 H new ATOM 0 HA ARG A 172 98.850 -7.960 2.234 1.00 0.00 H new ATOM 0 HB2 ARG A 172 98.862 -7.155 5.154 1.00 0.00 H new ATOM 0 HB3 ARG A 172 97.834 -8.345 4.381 1.00 0.00 H new ATOM 0 HG2 ARG A 172 99.317 -9.842 5.198 1.00 0.00 H new ATOM 0 HG3 ARG A 172 100.293 -9.392 3.813 1.00 0.00 H new ATOM 0 HD2 ARG A 172 101.701 -9.244 5.748 1.00 0.00 H new ATOM 0 HD3 ARG A 172 101.375 -7.605 5.220 1.00 0.00 H new ATOM 0 HE ARG A 172 100.414 -7.201 7.284 1.00 0.00 H new ATOM 0 HH11 ARG A 172 100.193 -10.649 6.549 1.00 0.00 H new ATOM 0 HH12 ARG A 172 99.428 -11.045 8.091 1.00 0.00 H new ATOM 0 HH21 ARG A 172 99.426 -7.720 9.260 1.00 0.00 H new ATOM 0 HH22 ARG A 172 98.996 -9.396 9.618 1.00 0.00 H new ATOM 1004 N ARG A 173 98.461 -5.009 3.697 1.00 0.00 N ATOM 1005 CA ARG A 173 97.601 -3.845 3.669 1.00 0.00 C ATOM 1006 C ARG A 173 97.588 -3.187 2.291 1.00 0.00 C ATOM 1007 O ARG A 173 96.527 -3.027 1.697 1.00 0.00 O ATOM 1008 CB ARG A 173 97.994 -2.826 4.741 1.00 0.00 C ATOM 1009 CG ARG A 173 99.442 -2.907 5.170 1.00 0.00 C ATOM 1010 CD ARG A 173 99.781 -1.815 6.170 1.00 0.00 C ATOM 1011 NE ARG A 173 101.168 -1.887 6.616 1.00 0.00 N ATOM 1012 CZ ARG A 173 101.692 -1.071 7.525 1.00 0.00 C ATOM 1013 NH1 ARG A 173 100.943 -0.132 8.085 1.00 0.00 N ATOM 1014 NH2 ARG A 173 102.965 -1.196 7.876 1.00 0.00 N ATOM 0 H ARG A 173 99.262 -4.947 4.326 1.00 0.00 H new ATOM 0 HA ARG A 173 96.592 -4.195 3.888 1.00 0.00 H new ATOM 0 HB2 ARG A 173 97.794 -1.823 4.364 1.00 0.00 H new ATOM 0 HB3 ARG A 173 97.359 -2.971 5.615 1.00 0.00 H new ATOM 0 HG2 ARG A 173 99.639 -3.883 5.613 1.00 0.00 H new ATOM 0 HG3 ARG A 173 100.088 -2.817 4.297 1.00 0.00 H new ATOM 0 HD2 ARG A 173 99.597 -0.841 5.718 1.00 0.00 H new ATOM 0 HD3 ARG A 173 99.119 -1.896 7.032 1.00 0.00 H new ATOM 0 HE ARG A 173 101.769 -2.603 6.208 1.00 0.00 H new ATOM 0 HH11 ARG A 173 99.963 -0.035 7.819 1.00 0.00 H new ATOM 0 HH12 ARG A 173 101.346 0.494 8.782 1.00 0.00 H new ATOM 0 HH21 ARG A 173 103.543 -1.919 7.448 1.00 0.00 H new ATOM 0 HH22 ARG A 173 103.366 -0.569 8.574 1.00 0.00 H new ATOM 1028 N PHE A 174 98.768 -2.837 1.775 1.00 0.00 N ATOM 1029 CA PHE A 174 98.871 -2.220 0.449 1.00 0.00 C ATOM 1030 C PHE A 174 98.176 -3.083 -0.577 1.00 0.00 C ATOM 1031 O PHE A 174 97.268 -2.637 -1.277 1.00 0.00 O ATOM 1032 CB PHE A 174 100.330 -2.062 0.021 1.00 0.00 C ATOM 1033 CG PHE A 174 101.077 -0.946 0.708 1.00 0.00 C ATOM 1034 CD1 PHE A 174 101.048 -0.809 2.085 1.00 0.00 C ATOM 1035 CD2 PHE A 174 101.835 -0.049 -0.032 1.00 0.00 C ATOM 1036 CE1 PHE A 174 101.757 0.198 2.711 1.00 0.00 C ATOM 1037 CE2 PHE A 174 102.541 0.963 0.588 1.00 0.00 C ATOM 1038 CZ PHE A 174 102.503 1.086 1.961 1.00 0.00 C ATOM 0 H PHE A 174 99.661 -2.969 2.251 1.00 0.00 H new ATOM 0 HA PHE A 174 98.403 -1.238 0.510 1.00 0.00 H new ATOM 0 HB2 PHE A 174 100.852 -3.000 0.211 1.00 0.00 H new ATOM 0 HB3 PHE A 174 100.361 -1.892 -1.055 1.00 0.00 H new ATOM 0 HD1 PHE A 174 100.464 -1.498 2.677 1.00 0.00 H new ATOM 0 HD2 PHE A 174 101.873 -0.144 -1.107 1.00 0.00 H new ATOM 0 HE1 PHE A 174 101.728 0.291 3.787 1.00 0.00 H new ATOM 0 HE2 PHE A 174 103.122 1.657 -0.001 1.00 0.00 H new ATOM 0 HZ PHE A 174 103.056 1.875 2.449 1.00 0.00 H new ATOM 1048 N VAL A 175 98.621 -4.319 -0.662 1.00 0.00 N ATOM 1049 CA VAL A 175 98.060 -5.256 -1.609 1.00 0.00 C ATOM 1050 C VAL A 175 96.551 -5.370 -1.403 1.00 0.00 C ATOM 1051 O VAL A 175 95.776 -5.333 -2.357 1.00 0.00 O ATOM 1052 CB VAL A 175 98.729 -6.639 -1.480 1.00 0.00 C ATOM 1053 CG1 VAL A 175 98.284 -7.536 -2.609 1.00 0.00 C ATOM 1054 CG2 VAL A 175 100.256 -6.520 -1.466 1.00 0.00 C ATOM 0 H VAL A 175 99.372 -4.698 -0.085 1.00 0.00 H new ATOM 0 HA VAL A 175 98.251 -4.883 -2.615 1.00 0.00 H new ATOM 0 HB VAL A 175 98.420 -7.078 -0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 175 98.762 -8.511 -2.509 1.00 0.00 H new ATOM 0 HG12 VAL A 175 97.201 -7.657 -2.572 1.00 0.00 H new ATOM 0 HG13 VAL A 175 98.567 -7.089 -3.562 1.00 0.00 H new ATOM 0 HG21 VAL A 175 100.697 -7.512 -1.374 1.00 0.00 H new ATOM 0 HG22 VAL A 175 100.593 -6.057 -2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 175 100.565 -5.906 -0.621 1.00 0.00 H new ATOM 1064 N ALA A 176 96.145 -5.494 -0.146 1.00 0.00 N ATOM 1065 CA ALA A 176 94.731 -5.597 0.205 1.00 0.00 C ATOM 1066 C ALA A 176 93.946 -4.406 -0.348 1.00 0.00 C ATOM 1067 O ALA A 176 92.829 -4.562 -0.843 1.00 0.00 O ATOM 1068 CB ALA A 176 94.574 -5.692 1.716 1.00 0.00 C ATOM 0 H ALA A 176 96.778 -5.526 0.653 1.00 0.00 H new ATOM 0 HA ALA A 176 94.326 -6.503 -0.245 1.00 0.00 H new ATOM 0 HB1 ALA A 176 93.516 -5.768 1.968 1.00 0.00 H new ATOM 0 HB2 ALA A 176 95.099 -6.575 2.082 1.00 0.00 H new ATOM 0 HB3 ALA A 176 94.994 -4.801 2.182 1.00 0.00 H new ATOM 1074 N LEU A 177 94.555 -3.223 -0.289 1.00 0.00 N ATOM 1075 CA LEU A 177 93.932 -2.008 -0.815 1.00 0.00 C ATOM 1076 C LEU A 177 93.654 -2.176 -2.287 1.00 0.00 C ATOM 1077 O LEU A 177 92.590 -1.808 -2.785 1.00 0.00 O ATOM 1078 CB LEU A 177 94.848 -0.800 -0.645 1.00 0.00 C ATOM 1079 CG LEU A 177 95.493 -0.675 0.717 1.00 0.00 C ATOM 1080 CD1 LEU A 177 96.230 0.650 0.834 1.00 0.00 C ATOM 1081 CD2 LEU A 177 94.449 -0.818 1.814 1.00 0.00 C ATOM 0 H LEU A 177 95.479 -3.079 0.118 1.00 0.00 H new ATOM 0 HA LEU A 177 93.008 -1.843 -0.260 1.00 0.00 H new ATOM 0 HB2 LEU A 177 95.633 -0.849 -1.399 1.00 0.00 H new ATOM 0 HB3 LEU A 177 94.272 0.104 -0.842 1.00 0.00 H new ATOM 0 HG LEU A 177 96.220 -1.479 0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 177 96.689 0.725 1.820 1.00 0.00 H new ATOM 0 HD12 LEU A 177 97.004 0.705 0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 177 95.526 1.471 0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 177 94.930 -0.726 2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 177 93.697 -0.036 1.705 1.00 0.00 H new ATOM 0 HD23 LEU A 177 93.971 -1.795 1.736 1.00 0.00 H new ATOM 1093 N MET A 178 94.623 -2.743 -2.977 1.00 0.00 N ATOM 1094 CA MET A 178 94.492 -2.973 -4.406 1.00 0.00 C ATOM 1095 C MET A 178 93.272 -3.839 -4.682 1.00 0.00 C ATOM 1096 O MET A 178 92.472 -3.537 -5.567 1.00 0.00 O ATOM 1097 CB MET A 178 95.752 -3.648 -4.945 1.00 0.00 C ATOM 1098 CG MET A 178 97.028 -2.896 -4.617 1.00 0.00 C ATOM 1099 SD MET A 178 98.509 -3.826 -5.048 1.00 0.00 S ATOM 1100 CE MET A 178 99.768 -2.819 -4.275 1.00 0.00 C ATOM 0 H MET A 178 95.508 -3.053 -2.575 1.00 0.00 H new ATOM 0 HA MET A 178 94.365 -2.015 -4.910 1.00 0.00 H new ATOM 0 HB2 MET A 178 95.818 -4.656 -4.536 1.00 0.00 H new ATOM 0 HB3 MET A 178 95.667 -3.748 -6.027 1.00 0.00 H new ATOM 0 HG2 MET A 178 97.032 -1.945 -5.150 1.00 0.00 H new ATOM 0 HG3 MET A 178 97.046 -2.665 -3.552 1.00 0.00 H new ATOM 0 HE1 MET A 178 100.648 -3.429 -4.071 1.00 0.00 H new ATOM 0 HE2 MET A 178 100.040 -2.001 -4.942 1.00 0.00 H new ATOM 0 HE3 MET A 178 99.384 -2.411 -3.340 1.00 0.00 H new ATOM 1110 N ASP A 179 93.133 -4.919 -3.921 1.00 0.00 N ATOM 1111 CA ASP A 179 92.010 -5.828 -4.089 1.00 0.00 C ATOM 1112 C ASP A 179 90.678 -5.094 -4.002 1.00 0.00 C ATOM 1113 O ASP A 179 89.776 -5.334 -4.806 1.00 0.00 O ATOM 1114 CB ASP A 179 92.054 -6.919 -3.023 1.00 0.00 C ATOM 1115 CG ASP A 179 93.256 -7.831 -3.174 1.00 0.00 C ATOM 1116 OD1 ASP A 179 94.054 -7.611 -4.109 1.00 0.00 O ATOM 1117 OD2 ASP A 179 93.399 -8.764 -2.355 1.00 0.00 O ATOM 0 H ASP A 179 93.785 -5.185 -3.183 1.00 0.00 H new ATOM 0 HA ASP A 179 92.094 -6.274 -5.080 1.00 0.00 H new ATOM 0 HB2 ASP A 179 92.074 -6.457 -2.036 1.00 0.00 H new ATOM 0 HB3 ASP A 179 91.142 -7.513 -3.078 1.00 0.00 H new ATOM 1122 N ALA A 180 90.551 -4.204 -3.023 1.00 0.00 N ATOM 1123 CA ALA A 180 89.318 -3.450 -2.845 1.00 0.00 C ATOM 1124 C ALA A 180 89.054 -2.567 -4.053 1.00 0.00 C ATOM 1125 O ALA A 180 87.921 -2.157 -4.303 1.00 0.00 O ATOM 1126 CB ALA A 180 89.392 -2.609 -1.579 1.00 0.00 C ATOM 0 H ALA A 180 91.282 -3.989 -2.345 1.00 0.00 H new ATOM 0 HA ALA A 180 88.492 -4.155 -2.747 1.00 0.00 H new ATOM 0 HB1 ALA A 180 88.464 -2.051 -1.458 1.00 0.00 H new ATOM 0 HB2 ALA A 180 89.538 -3.260 -0.717 1.00 0.00 H new ATOM 0 HB3 ALA A 180 90.227 -1.913 -1.653 1.00 0.00 H new ATOM 1132 N GLY A 181 90.113 -2.279 -4.801 1.00 0.00 N ATOM 1133 CA GLY A 181 89.986 -1.446 -5.979 1.00 0.00 C ATOM 1134 C GLY A 181 89.960 0.035 -5.652 1.00 0.00 C ATOM 1135 O GLY A 181 89.320 0.817 -6.355 1.00 0.00 O ATOM 0 H GLY A 181 91.059 -2.609 -4.611 1.00 0.00 H new ATOM 0 HA2 GLY A 181 90.817 -1.650 -6.654 1.00 0.00 H new ATOM 0 HA3 GLY A 181 89.072 -1.712 -6.510 1.00 0.00 H new ATOM 1139 N GLU A 182 90.658 0.430 -4.586 1.00 0.00 N ATOM 1140 CA GLU A 182 90.701 1.834 -4.187 1.00 0.00 C ATOM 1141 C GLU A 182 91.980 2.493 -4.722 1.00 0.00 C ATOM 1142 O GLU A 182 93.028 1.851 -4.785 1.00 0.00 O ATOM 1143 CB GLU A 182 90.611 1.946 -2.661 1.00 0.00 C ATOM 1144 CG GLU A 182 91.855 1.470 -1.934 1.00 0.00 C ATOM 1145 CD GLU A 182 92.962 2.495 -1.990 1.00 0.00 C ATOM 1146 OE1 GLU A 182 92.708 3.596 -2.512 1.00 0.00 O ATOM 1147 OE2 GLU A 182 94.074 2.207 -1.503 1.00 0.00 O ATOM 0 H GLU A 182 91.196 -0.198 -3.989 1.00 0.00 H new ATOM 0 HA GLU A 182 89.848 2.360 -4.615 1.00 0.00 H new ATOM 0 HB2 GLU A 182 90.421 2.986 -2.394 1.00 0.00 H new ATOM 0 HB3 GLU A 182 89.755 1.367 -2.314 1.00 0.00 H new ATOM 0 HG2 GLU A 182 91.609 1.257 -0.894 1.00 0.00 H new ATOM 0 HG3 GLU A 182 92.201 0.536 -2.378 1.00 0.00 H new ATOM 1154 N PRO A 183 91.910 3.772 -5.151 1.00 0.00 N ATOM 1155 CA PRO A 183 93.070 4.475 -5.716 1.00 0.00 C ATOM 1156 C PRO A 183 94.227 4.647 -4.740 1.00 0.00 C ATOM 1157 O PRO A 183 94.053 4.707 -3.528 1.00 0.00 O ATOM 1158 CB PRO A 183 92.524 5.832 -6.165 1.00 0.00 C ATOM 1159 CG PRO A 183 91.209 5.994 -5.470 1.00 0.00 C ATOM 1160 CD PRO A 183 90.699 4.609 -5.155 1.00 0.00 C ATOM 0 HA PRO A 183 93.501 3.894 -6.531 1.00 0.00 H new ATOM 0 HB2 PRO A 183 93.209 6.637 -5.898 1.00 0.00 H new ATOM 0 HB3 PRO A 183 92.401 5.865 -7.247 1.00 0.00 H new ATOM 0 HG2 PRO A 183 91.325 6.578 -4.557 1.00 0.00 H new ATOM 0 HG3 PRO A 183 90.502 6.530 -6.104 1.00 0.00 H new ATOM 0 HD2 PRO A 183 90.192 4.581 -4.191 1.00 0.00 H new ATOM 0 HD3 PRO A 183 89.982 4.269 -5.902 1.00 0.00 H new ATOM 1168 N ALA A 184 95.420 4.698 -5.313 1.00 0.00 N ATOM 1169 CA ALA A 184 96.659 4.826 -4.551 1.00 0.00 C ATOM 1170 C ALA A 184 96.786 6.166 -3.833 1.00 0.00 C ATOM 1171 O ALA A 184 97.486 6.257 -2.826 1.00 0.00 O ATOM 1172 CB ALA A 184 97.857 4.602 -5.465 1.00 0.00 C ATOM 0 H ALA A 184 95.560 4.652 -6.322 1.00 0.00 H new ATOM 0 HA ALA A 184 96.634 4.060 -3.776 1.00 0.00 H new ATOM 0 HB1 ALA A 184 98.777 4.699 -4.889 1.00 0.00 H new ATOM 0 HB2 ALA A 184 97.803 3.603 -5.897 1.00 0.00 H new ATOM 0 HB3 ALA A 184 97.849 5.344 -6.264 1.00 0.00 H new ATOM 1178 N ASP A 185 96.118 7.207 -4.327 1.00 0.00 N ATOM 1179 CA ASP A 185 96.191 8.515 -3.683 1.00 0.00 C ATOM 1180 C ASP A 185 95.113 8.623 -2.616 1.00 0.00 C ATOM 1181 O ASP A 185 94.786 9.712 -2.142 1.00 0.00 O ATOM 1182 CB ASP A 185 96.028 9.627 -4.722 1.00 0.00 C ATOM 1183 CG ASP A 185 96.188 11.013 -4.129 1.00 0.00 C ATOM 1184 OD1 ASP A 185 96.469 11.112 -2.917 1.00 0.00 O ATOM 1185 OD2 ASP A 185 96.036 12.000 -4.879 1.00 0.00 O ATOM 0 H ASP A 185 95.529 7.171 -5.159 1.00 0.00 H new ATOM 0 HA ASP A 185 97.167 8.626 -3.211 1.00 0.00 H new ATOM 0 HB2 ASP A 185 96.764 9.489 -5.514 1.00 0.00 H new ATOM 0 HB3 ASP A 185 95.044 9.546 -5.183 1.00 0.00 H new ATOM 1190 N SER A 186 94.574 7.472 -2.239 1.00 0.00 N ATOM 1191 CA SER A 186 93.542 7.395 -1.226 1.00 0.00 C ATOM 1192 C SER A 186 94.146 7.587 0.157 1.00 0.00 C ATOM 1193 O SER A 186 95.331 7.338 0.364 1.00 0.00 O ATOM 1194 CB SER A 186 92.841 6.042 -1.308 1.00 0.00 C ATOM 1195 OG SER A 186 92.043 5.949 -2.474 1.00 0.00 O ATOM 0 H SER A 186 94.843 6.569 -2.629 1.00 0.00 H new ATOM 0 HA SER A 186 92.814 8.187 -1.401 1.00 0.00 H new ATOM 0 HB2 SER A 186 93.584 5.244 -1.308 1.00 0.00 H new ATOM 0 HB3 SER A 186 92.218 5.898 -0.425 1.00 0.00 H new ATOM 0 HG SER A 186 92.400 5.249 -3.060 1.00 0.00 H new ATOM 1201 N GLU A 187 93.329 8.028 1.099 1.00 0.00 N ATOM 1202 CA GLU A 187 93.798 8.249 2.460 1.00 0.00 C ATOM 1203 C GLU A 187 94.562 7.029 2.963 1.00 0.00 C ATOM 1204 O GLU A 187 95.717 7.130 3.374 1.00 0.00 O ATOM 1205 CB GLU A 187 92.618 8.548 3.388 1.00 0.00 C ATOM 1206 CG GLU A 187 91.828 9.782 2.988 1.00 0.00 C ATOM 1207 CD GLU A 187 90.664 10.057 3.921 1.00 0.00 C ATOM 1208 OE1 GLU A 187 89.779 9.184 4.041 1.00 0.00 O ATOM 1209 OE2 GLU A 187 90.640 11.145 4.534 1.00 0.00 O ATOM 0 H GLU A 187 92.342 8.240 0.949 1.00 0.00 H new ATOM 0 HA GLU A 187 94.470 9.107 2.458 1.00 0.00 H new ATOM 0 HB2 GLU A 187 91.949 7.687 3.401 1.00 0.00 H new ATOM 0 HB3 GLU A 187 92.990 8.678 4.404 1.00 0.00 H new ATOM 0 HG2 GLU A 187 92.492 10.646 2.977 1.00 0.00 H new ATOM 0 HG3 GLU A 187 91.453 9.655 1.972 1.00 0.00 H new ATOM 1216 N GLY A 188 93.907 5.877 2.921 1.00 0.00 N ATOM 1217 CA GLY A 188 94.537 4.651 3.374 1.00 0.00 C ATOM 1218 C GLY A 188 95.825 4.343 2.633 1.00 0.00 C ATOM 1219 O GLY A 188 96.801 3.900 3.237 1.00 0.00 O ATOM 0 H GLY A 188 92.951 5.768 2.582 1.00 0.00 H new ATOM 0 HA2 GLY A 188 94.747 4.728 4.441 1.00 0.00 H new ATOM 0 HA3 GLY A 188 93.842 3.821 3.245 1.00 0.00 H new ATOM 1223 N ALA A 189 95.826 4.562 1.320 1.00 0.00 N ATOM 1224 CA ALA A 189 97.002 4.288 0.498 1.00 0.00 C ATOM 1225 C ALA A 189 98.130 5.285 0.752 1.00 0.00 C ATOM 1226 O ALA A 189 99.267 4.887 1.003 1.00 0.00 O ATOM 1227 CB ALA A 189 96.625 4.284 -0.975 1.00 0.00 C ATOM 0 H ALA A 189 95.026 4.928 0.803 1.00 0.00 H new ATOM 0 HA ALA A 189 97.372 3.302 0.780 1.00 0.00 H new ATOM 0 HB1 ALA A 189 97.510 4.079 -1.577 1.00 0.00 H new ATOM 0 HB2 ALA A 189 95.876 3.513 -1.157 1.00 0.00 H new ATOM 0 HB3 ALA A 189 96.218 5.257 -1.249 1.00 0.00 H new ATOM 1233 N MET A 190 97.823 6.577 0.684 1.00 0.00 N ATOM 1234 CA MET A 190 98.844 7.595 0.908 1.00 0.00 C ATOM 1235 C MET A 190 99.429 7.439 2.310 1.00 0.00 C ATOM 1236 O MET A 190 100.646 7.473 2.488 1.00 0.00 O ATOM 1237 CB MET A 190 98.282 9.009 0.707 1.00 0.00 C ATOM 1238 CG MET A 190 97.560 9.559 1.920 1.00 0.00 C ATOM 1239 SD MET A 190 96.863 11.198 1.636 1.00 0.00 S ATOM 1240 CE MET A 190 95.747 10.864 0.278 1.00 0.00 C ATOM 0 H MET A 190 96.892 6.940 0.479 1.00 0.00 H new ATOM 0 HA MET A 190 99.636 7.454 0.173 1.00 0.00 H new ATOM 0 HB2 MET A 190 99.100 9.681 0.447 1.00 0.00 H new ATOM 0 HB3 MET A 190 97.595 9.000 -0.140 1.00 0.00 H new ATOM 0 HG2 MET A 190 96.761 8.874 2.203 1.00 0.00 H new ATOM 0 HG3 MET A 190 98.253 9.605 2.760 1.00 0.00 H new ATOM 0 HE1 MET A 190 96.032 11.467 -0.584 1.00 0.00 H new ATOM 0 HE2 MET A 190 95.800 9.808 0.015 1.00 0.00 H new ATOM 0 HE3 MET A 190 94.728 11.114 0.574 1.00 0.00 H new ATOM 1250 N ASP A 191 98.557 7.235 3.300 1.00 0.00 N ATOM 1251 CA ASP A 191 99.010 7.038 4.674 1.00 0.00 C ATOM 1252 C ASP A 191 99.963 5.853 4.715 1.00 0.00 C ATOM 1253 O ASP A 191 101.033 5.913 5.315 1.00 0.00 O ATOM 1254 CB ASP A 191 97.824 6.806 5.613 1.00 0.00 C ATOM 1255 CG ASP A 191 97.015 8.067 5.846 1.00 0.00 C ATOM 1256 OD1 ASP A 191 96.539 8.662 4.855 1.00 0.00 O ATOM 1257 OD2 ASP A 191 96.856 8.462 7.020 1.00 0.00 O ATOM 0 H ASP A 191 97.545 7.202 3.176 1.00 0.00 H new ATOM 0 HA ASP A 191 99.527 7.935 5.013 1.00 0.00 H new ATOM 0 HB2 ASP A 191 97.177 6.035 5.193 1.00 0.00 H new ATOM 0 HB3 ASP A 191 98.189 6.430 6.569 1.00 0.00 H new ATOM 1262 N ALA A 192 99.591 4.796 4.013 1.00 0.00 N ATOM 1263 CA ALA A 192 100.449 3.628 3.919 1.00 0.00 C ATOM 1264 C ALA A 192 101.807 4.095 3.419 1.00 0.00 C ATOM 1265 O ALA A 192 102.852 3.671 3.909 1.00 0.00 O ATOM 1266 CB ALA A 192 99.833 2.591 2.984 1.00 0.00 C ATOM 0 H ALA A 192 98.710 4.722 3.505 1.00 0.00 H new ATOM 0 HA ALA A 192 100.561 3.149 4.892 1.00 0.00 H new ATOM 0 HB1 ALA A 192 100.487 1.721 2.924 1.00 0.00 H new ATOM 0 HB2 ALA A 192 98.860 2.287 3.369 1.00 0.00 H new ATOM 0 HB3 ALA A 192 99.711 3.023 1.991 1.00 0.00 H new ATOM 1272 N ALA A 193 101.769 4.996 2.446 1.00 0.00 N ATOM 1273 CA ALA A 193 102.983 5.558 1.881 1.00 0.00 C ATOM 1274 C ALA A 193 103.748 6.337 2.945 1.00 0.00 C ATOM 1275 O ALA A 193 104.959 6.166 3.090 1.00 0.00 O ATOM 1276 CB ALA A 193 102.650 6.436 0.682 1.00 0.00 C ATOM 0 H ALA A 193 100.907 5.352 2.033 1.00 0.00 H new ATOM 0 HA ALA A 193 103.623 4.747 1.534 1.00 0.00 H new ATOM 0 HB1 ALA A 193 103.569 6.851 0.268 1.00 0.00 H new ATOM 0 HB2 ALA A 193 102.147 5.838 -0.078 1.00 0.00 H new ATOM 0 HB3 ALA A 193 101.995 7.248 0.997 1.00 0.00 H new ATOM 1282 N GLU A 194 103.050 7.181 3.703 1.00 0.00 N ATOM 1283 CA GLU A 194 103.709 7.944 4.751 1.00 0.00 C ATOM 1284 C GLU A 194 104.247 6.986 5.807 1.00 0.00 C ATOM 1285 O GLU A 194 105.237 7.274 6.480 1.00 0.00 O ATOM 1286 CB GLU A 194 102.757 8.979 5.380 1.00 0.00 C ATOM 1287 CG GLU A 194 101.979 8.478 6.589 1.00 0.00 C ATOM 1288 CD GLU A 194 101.025 9.522 7.137 1.00 0.00 C ATOM 1289 OE1 GLU A 194 101.497 10.607 7.537 1.00 0.00 O ATOM 1290 OE2 GLU A 194 99.805 9.255 7.165 1.00 0.00 O ATOM 0 H GLU A 194 102.048 7.349 3.612 1.00 0.00 H new ATOM 0 HA GLU A 194 104.538 8.500 4.312 1.00 0.00 H new ATOM 0 HB2 GLU A 194 103.337 9.853 5.676 1.00 0.00 H new ATOM 0 HB3 GLU A 194 102.048 9.309 4.620 1.00 0.00 H new ATOM 0 HG2 GLU A 194 101.417 7.586 6.312 1.00 0.00 H new ATOM 0 HG3 GLU A 194 102.679 8.183 7.371 1.00 0.00 H new ATOM 1297 N ASP A 195 103.594 5.829 5.928 1.00 0.00 N ATOM 1298 CA ASP A 195 104.013 4.809 6.881 1.00 0.00 C ATOM 1299 C ASP A 195 105.316 4.168 6.414 1.00 0.00 C ATOM 1300 O ASP A 195 106.204 3.878 7.216 1.00 0.00 O ATOM 1301 CB ASP A 195 102.929 3.741 7.047 1.00 0.00 C ATOM 1302 CG ASP A 195 103.310 2.689 8.069 1.00 0.00 C ATOM 1303 OD1 ASP A 195 104.413 2.791 8.645 1.00 0.00 O ATOM 1304 OD2 ASP A 195 102.504 1.761 8.294 1.00 0.00 O ATOM 0 H ASP A 195 102.773 5.578 5.376 1.00 0.00 H new ATOM 0 HA ASP A 195 104.174 5.284 7.849 1.00 0.00 H new ATOM 0 HB2 ASP A 195 101.996 4.217 7.349 1.00 0.00 H new ATOM 0 HB3 ASP A 195 102.745 3.261 6.086 1.00 0.00 H new ATOM 1309 N HIS A 196 105.425 3.973 5.102 1.00 0.00 N ATOM 1310 CA HIS A 196 106.608 3.401 4.498 1.00 0.00 C ATOM 1311 C HIS A 196 107.784 4.343 4.684 1.00 0.00 C ATOM 1312 O HIS A 196 108.890 3.921 5.012 1.00 0.00 O ATOM 1313 CB HIS A 196 106.375 3.175 3.000 1.00 0.00 C ATOM 1314 CG HIS A 196 107.487 2.427 2.349 1.00 0.00 C ATOM 1315 ND1 HIS A 196 107.689 2.446 0.990 1.00 0.00 N ATOM 1316 CD2 HIS A 196 108.411 1.639 2.926 1.00 0.00 C ATOM 1317 CE1 HIS A 196 108.737 1.664 0.774 1.00 0.00 C ATOM 1318 NE2 HIS A 196 109.208 1.153 1.921 1.00 0.00 N ATOM 0 H HIS A 196 104.691 4.210 4.434 1.00 0.00 H new ATOM 0 HA HIS A 196 106.823 2.446 4.978 1.00 0.00 H new ATOM 0 HB2 HIS A 196 105.444 2.626 2.861 1.00 0.00 H new ATOM 0 HB3 HIS A 196 106.254 4.139 2.506 1.00 0.00 H new ATOM 0 HD2 HIS A 196 108.507 1.429 3.981 1.00 0.00 H new ATOM 0 HE1 HIS A 196 109.158 1.464 -0.200 1.00 0.00 H new ATOM 0 HE2 HIS A 196 110.005 0.525 2.026 1.00 0.00 H new ATOM 1326 N ARG A 197 107.525 5.622 4.460 1.00 0.00 N ATOM 1327 CA ARG A 197 108.545 6.649 4.586 1.00 0.00 C ATOM 1328 C ARG A 197 109.275 6.549 5.921 1.00 0.00 C ATOM 1329 O ARG A 197 110.465 6.245 5.967 1.00 0.00 O ATOM 1330 CB ARG A 197 107.904 8.029 4.462 1.00 0.00 C ATOM 1331 CG ARG A 197 108.914 9.142 4.211 1.00 0.00 C ATOM 1332 CD ARG A 197 108.261 10.518 4.134 1.00 0.00 C ATOM 1333 NE ARG A 197 107.879 11.034 5.449 1.00 0.00 N ATOM 1334 CZ ARG A 197 106.767 10.689 6.093 1.00 0.00 C ATOM 1335 NH1 ARG A 197 105.885 9.887 5.519 1.00 0.00 N ATOM 1336 NH2 ARG A 197 106.526 11.170 7.304 1.00 0.00 N ATOM 0 H ARG A 197 106.608 5.975 4.187 1.00 0.00 H new ATOM 0 HA ARG A 197 109.271 6.500 3.787 1.00 0.00 H new ATOM 0 HB2 ARG A 197 107.180 8.014 3.647 1.00 0.00 H new ATOM 0 HB3 ARG A 197 107.351 8.249 5.375 1.00 0.00 H new ATOM 0 HG2 ARG A 197 109.657 9.140 5.008 1.00 0.00 H new ATOM 0 HG3 ARG A 197 109.445 8.943 3.280 1.00 0.00 H new ATOM 0 HD2 ARG A 197 108.950 11.217 3.660 1.00 0.00 H new ATOM 0 HD3 ARG A 197 107.377 10.461 3.499 1.00 0.00 H new ATOM 0 HE ARG A 197 108.505 11.701 5.901 1.00 0.00 H new ATOM 0 HH11 ARG A 197 106.056 9.530 4.579 1.00 0.00 H new ATOM 0 HH12 ARG A 197 105.034 9.625 6.017 1.00 0.00 H new ATOM 0 HH21 ARG A 197 107.193 11.805 7.743 1.00 0.00 H new ATOM 0 HH22 ARG A 197 105.673 10.905 7.797 1.00 0.00 H new ATOM 1350 N GLN A 198 108.552 6.822 7.000 1.00 0.00 N ATOM 1351 CA GLN A 198 109.121 6.790 8.344 1.00 0.00 C ATOM 1352 C GLN A 198 109.805 5.462 8.648 1.00 0.00 C ATOM 1353 O GLN A 198 110.770 5.418 9.411 1.00 0.00 O ATOM 1354 CB GLN A 198 108.034 7.065 9.384 1.00 0.00 C ATOM 1355 CG GLN A 198 107.409 8.444 9.260 1.00 0.00 C ATOM 1356 CD GLN A 198 108.419 9.558 9.456 1.00 0.00 C ATOM 1357 OE1 GLN A 198 109.023 9.684 10.520 1.00 0.00 O ATOM 1358 NE2 GLN A 198 108.608 10.374 8.425 1.00 0.00 N ATOM 0 H GLN A 198 107.563 7.070 6.971 1.00 0.00 H new ATOM 0 HA GLN A 198 109.881 7.570 8.392 1.00 0.00 H new ATOM 0 HB2 GLN A 198 107.253 6.311 9.289 1.00 0.00 H new ATOM 0 HB3 GLN A 198 108.461 6.957 10.381 1.00 0.00 H new ATOM 0 HG2 GLN A 198 106.949 8.544 8.277 1.00 0.00 H new ATOM 0 HG3 GLN A 198 106.612 8.546 9.997 1.00 0.00 H new ATOM 0 HE21 GLN A 198 108.085 10.233 7.560 1.00 0.00 H new ATOM 0 HE22 GLN A 198 109.276 11.142 8.498 1.00 0.00 H new ATOM 1367 N GLY A 199 109.308 4.378 8.063 1.00 0.00 N ATOM 1368 CA GLY A 199 109.898 3.076 8.310 1.00 0.00 C ATOM 1369 C GLY A 199 111.267 2.916 7.677 1.00 0.00 C ATOM 1370 O GLY A 199 112.194 2.409 8.310 1.00 0.00 O ATOM 0 H GLY A 199 108.512 4.377 7.426 1.00 0.00 H new ATOM 0 HA2 GLY A 199 109.980 2.919 9.385 1.00 0.00 H new ATOM 0 HA3 GLY A 199 109.233 2.303 7.925 1.00 0.00 H new ATOM 1374 N ILE A 200 111.397 3.338 6.423 1.00 0.00 N ATOM 1375 CA ILE A 200 112.664 3.227 5.708 1.00 0.00 C ATOM 1376 C ILE A 200 113.610 4.371 6.074 1.00 0.00 C ATOM 1377 O ILE A 200 114.823 4.263 5.898 1.00 0.00 O ATOM 1378 CB ILE A 200 112.438 3.175 4.176 1.00 0.00 C ATOM 1379 CG1 ILE A 200 113.752 2.933 3.426 1.00 0.00 C ATOM 1380 CG2 ILE A 200 111.757 4.438 3.674 1.00 0.00 C ATOM 1381 CD1 ILE A 200 114.638 4.156 3.285 1.00 0.00 C ATOM 0 H ILE A 200 110.642 3.759 5.882 1.00 0.00 H new ATOM 0 HA ILE A 200 113.132 2.292 6.015 1.00 0.00 H new ATOM 0 HB ILE A 200 111.776 2.333 3.975 1.00 0.00 H new ATOM 0 HG12 ILE A 200 114.312 2.154 3.944 1.00 0.00 H new ATOM 0 HG13 ILE A 200 113.521 2.552 2.431 1.00 0.00 H new ATOM 0 HG21 ILE A 200 111.613 4.370 2.596 1.00 0.00 H new ATOM 0 HG22 ILE A 200 110.789 4.548 4.163 1.00 0.00 H new ATOM 0 HG23 ILE A 200 112.380 5.303 3.903 1.00 0.00 H new ATOM 0 HD11 ILE A 200 115.544 3.888 2.741 1.00 0.00 H new ATOM 0 HD12 ILE A 200 114.103 4.932 2.738 1.00 0.00 H new ATOM 0 HD13 ILE A 200 114.905 4.528 4.274 1.00 0.00 H new ATOM 1393 N ALA A 201 113.050 5.464 6.589 1.00 0.00 N ATOM 1394 CA ALA A 201 113.848 6.625 6.985 1.00 0.00 C ATOM 1395 C ALA A 201 114.521 6.406 8.344 1.00 0.00 C ATOM 1396 O ALA A 201 115.736 6.562 8.476 1.00 0.00 O ATOM 1397 CB ALA A 201 112.977 7.881 6.999 1.00 0.00 C ATOM 0 H ALA A 201 112.047 5.571 6.742 1.00 0.00 H new ATOM 0 HA ALA A 201 114.642 6.760 6.250 1.00 0.00 H new ATOM 0 HB1 ALA A 201 113.581 8.739 7.295 1.00 0.00 H new ATOM 0 HB2 ALA A 201 112.568 8.051 6.003 1.00 0.00 H new ATOM 0 HB3 ALA A 201 112.160 7.750 7.709 1.00 0.00 H new ATOM 1403 N ARG A 202 113.732 6.030 9.340 1.00 0.00 N ATOM 1404 CA ARG A 202 114.245 5.769 10.686 1.00 0.00 C ATOM 1405 C ARG A 202 115.065 4.483 10.722 1.00 0.00 C ATOM 1406 O ARG A 202 115.695 4.162 11.730 1.00 0.00 O ATOM 1407 CB ARG A 202 113.083 5.662 11.674 1.00 0.00 C ATOM 1408 CG ARG A 202 112.229 6.918 11.745 1.00 0.00 C ATOM 1409 CD ARG A 202 111.017 6.743 12.654 1.00 0.00 C ATOM 1410 NE ARG A 202 111.389 6.463 14.041 1.00 0.00 N ATOM 1411 CZ ARG A 202 111.763 5.266 14.482 1.00 0.00 C ATOM 1412 NH1 ARG A 202 111.756 4.221 13.667 1.00 0.00 N ATOM 1413 NH2 ARG A 202 112.126 5.109 15.748 1.00 0.00 N ATOM 0 H ARG A 202 112.725 5.897 9.244 1.00 0.00 H new ATOM 0 HA ARG A 202 114.892 6.599 10.968 1.00 0.00 H new ATOM 0 HB2 ARG A 202 112.452 4.819 11.391 1.00 0.00 H new ATOM 0 HB3 ARG A 202 113.479 5.445 12.666 1.00 0.00 H new ATOM 0 HG2 ARG A 202 112.836 7.747 12.108 1.00 0.00 H new ATOM 0 HG3 ARG A 202 111.893 7.184 10.743 1.00 0.00 H new ATOM 0 HD2 ARG A 202 110.409 7.647 12.620 1.00 0.00 H new ATOM 0 HD3 ARG A 202 110.399 5.929 12.276 1.00 0.00 H new ATOM 0 HE ARG A 202 111.360 7.233 14.710 1.00 0.00 H new ATOM 0 HH11 ARG A 202 111.463 4.333 12.697 1.00 0.00 H new ATOM 0 HH12 ARG A 202 112.044 3.305 14.010 1.00 0.00 H new ATOM 0 HH21 ARG A 202 112.118 5.907 16.383 1.00 0.00 H new ATOM 0 HH22 ARG A 202 112.413 4.190 16.086 1.00 0.00 H new ATOM 1427 N ASN A 203 115.048 3.755 9.618 1.00 0.00 N ATOM 1428 CA ASN A 203 115.777 2.496 9.498 1.00 0.00 C ATOM 1429 C ASN A 203 117.137 2.671 8.837 1.00 0.00 C ATOM 1430 O ASN A 203 117.903 1.712 8.741 1.00 0.00 O ATOM 1431 CB ASN A 203 114.950 1.502 8.684 1.00 0.00 C ATOM 1432 CG ASN A 203 115.768 0.311 8.227 1.00 0.00 C ATOM 1433 OD1 ASN A 203 116.243 -0.484 9.037 1.00 0.00 O ATOM 1434 ND2 ASN A 203 115.957 0.202 6.919 1.00 0.00 N ATOM 0 H ASN A 203 114.530 4.016 8.779 1.00 0.00 H new ATOM 0 HA ASN A 203 115.945 2.123 10.508 1.00 0.00 H new ATOM 0 HB2 ASN A 203 114.110 1.154 9.285 1.00 0.00 H new ATOM 0 HB3 ASN A 203 114.531 2.008 7.814 1.00 0.00 H new ATOM 0 HD21 ASN A 203 116.516 -0.565 6.547 1.00 0.00 H new ATOM 0 HD22 ASN A 203 115.543 0.886 6.285 1.00 0.00 H new ATOM 1441 N HIS A 204 117.447 3.872 8.369 1.00 0.00 N ATOM 1442 CA HIS A 204 118.731 4.090 7.714 1.00 0.00 C ATOM 1443 C HIS A 204 119.335 5.462 8.013 1.00 0.00 C ATOM 1444 O HIS A 204 120.548 5.569 8.160 1.00 0.00 O ATOM 1445 CB HIS A 204 118.591 3.879 6.207 1.00 0.00 C ATOM 1446 CG HIS A 204 118.390 2.444 5.831 1.00 0.00 C ATOM 1447 ND1 HIS A 204 119.379 1.511 6.027 1.00 0.00 N ATOM 1448 CD2 HIS A 204 117.309 1.834 5.285 1.00 0.00 C ATOM 1449 CE1 HIS A 204 118.885 0.364 5.600 1.00 0.00 C ATOM 1450 NE2 HIS A 204 117.634 0.509 5.141 1.00 0.00 N ATOM 0 H HIS A 204 116.844 4.693 8.427 1.00 0.00 H new ATOM 0 HA HIS A 204 119.425 3.357 8.124 1.00 0.00 H new ATOM 0 HB2 HIS A 204 117.749 4.466 5.841 1.00 0.00 H new ATOM 0 HB3 HIS A 204 119.484 4.257 5.709 1.00 0.00 H new ATOM 0 HD2 HIS A 204 116.373 2.301 5.016 1.00 0.00 H new ATOM 0 HE1 HIS A 204 119.421 -0.573 5.618 1.00 0.00 H new ATOM 0 HE2 HIS A 204 117.038 -0.225 4.758 1.00 0.00 H new ATOM 1458 N TYR A 205 118.519 6.512 8.079 1.00 0.00 N ATOM 1459 CA TYR A 205 119.029 7.862 8.333 1.00 0.00 C ATOM 1460 C TYR A 205 117.879 8.861 8.392 1.00 0.00 C ATOM 1461 O TYR A 205 117.767 9.621 9.351 1.00 0.00 O ATOM 1462 CB TYR A 205 120.009 8.280 7.235 1.00 0.00 C ATOM 1463 CG TYR A 205 119.362 8.366 5.871 1.00 0.00 C ATOM 1464 CD1 TYR A 205 118.778 9.546 5.435 1.00 0.00 C ATOM 1465 CD2 TYR A 205 119.318 7.263 5.028 1.00 0.00 C ATOM 1466 CE1 TYR A 205 118.173 9.628 4.197 1.00 0.00 C ATOM 1467 CE2 TYR A 205 118.716 7.336 3.788 1.00 0.00 C ATOM 1468 CZ TYR A 205 118.145 8.520 3.377 1.00 0.00 C ATOM 1469 OH TYR A 205 117.548 8.598 2.141 1.00 0.00 O ATOM 0 H TYR A 205 117.507 6.457 7.961 1.00 0.00 H new ATOM 0 HA TYR A 205 119.548 7.854 9.291 1.00 0.00 H new ATOM 0 HB2 TYR A 205 120.440 9.248 7.489 1.00 0.00 H new ATOM 0 HB3 TYR A 205 120.831 7.565 7.197 1.00 0.00 H new ATOM 0 HD1 TYR A 205 118.797 10.416 6.075 1.00 0.00 H new ATOM 0 HD2 TYR A 205 119.762 6.332 5.348 1.00 0.00 H new ATOM 0 HE1 TYR A 205 117.724 10.555 3.872 1.00 0.00 H new ATOM 0 HE2 TYR A 205 118.693 6.470 3.144 1.00 0.00 H new ATOM 0 HH TYR A 205 116.865 7.900 2.063 1.00 0.00 H new ATOM 1479 N ASP A 206 117.028 8.839 7.372 1.00 0.00 N ATOM 1480 CA ASP A 206 115.864 9.727 7.294 1.00 0.00 C ATOM 1481 C ASP A 206 115.531 10.074 5.845 1.00 0.00 C ATOM 1482 O ASP A 206 115.555 11.241 5.455 1.00 0.00 O ATOM 1483 CB ASP A 206 116.067 11.019 8.098 1.00 0.00 C ATOM 1484 CG ASP A 206 117.343 11.749 7.728 1.00 0.00 C ATOM 1485 OD1 ASP A 206 117.453 12.199 6.568 1.00 0.00 O ATOM 1486 OD2 ASP A 206 118.231 11.870 8.597 1.00 0.00 O ATOM 0 H ASP A 206 117.121 8.208 6.576 1.00 0.00 H new ATOM 0 HA ASP A 206 115.029 9.181 7.733 1.00 0.00 H new ATOM 0 HB2 ASP A 206 115.216 11.680 7.935 1.00 0.00 H new ATOM 0 HB3 ASP A 206 116.086 10.780 9.161 1.00 0.00 H new ATOM 1491 N CYS A 207 115.204 9.054 5.057 1.00 0.00 N ATOM 1492 CA CYS A 207 114.848 9.253 3.659 1.00 0.00 C ATOM 1493 C CYS A 207 113.699 10.250 3.536 1.00 0.00 C ATOM 1494 O CYS A 207 112.531 9.866 3.479 1.00 0.00 O ATOM 1495 CB CYS A 207 114.465 7.917 3.010 1.00 0.00 C ATOM 1496 SG CYS A 207 115.846 6.763 2.845 1.00 0.00 S ATOM 0 H CYS A 207 115.179 8.082 5.364 1.00 0.00 H new ATOM 0 HA CYS A 207 115.715 9.658 3.137 1.00 0.00 H new ATOM 0 HB2 CYS A 207 113.680 7.447 3.603 1.00 0.00 H new ATOM 0 HB3 CYS A 207 114.046 8.110 2.023 1.00 0.00 H new ATOM 0 HG CYS A 207 116.952 7.359 3.181 1.00 0.00 H new ATOM 1502 N GLY A 208 114.044 11.535 3.506 1.00 0.00 N ATOM 1503 CA GLY A 208 113.041 12.579 3.400 1.00 0.00 C ATOM 1504 C GLY A 208 111.966 12.262 2.380 1.00 0.00 C ATOM 1505 O GLY A 208 112.049 11.260 1.672 1.00 0.00 O ATOM 0 H GLY A 208 115.006 11.872 3.554 1.00 0.00 H new ATOM 0 HA2 GLY A 208 112.577 12.730 4.375 1.00 0.00 H new ATOM 0 HA3 GLY A 208 113.527 13.516 3.129 1.00 0.00 H new ATOM 1509 N TYR A 209 110.952 13.118 2.309 1.00 0.00 N ATOM 1510 CA TYR A 209 109.851 12.930 1.371 1.00 0.00 C ATOM 1511 C TYR A 209 110.328 13.047 -0.071 1.00 0.00 C ATOM 1512 O TYR A 209 110.012 12.202 -0.907 1.00 0.00 O ATOM 1513 CB TYR A 209 108.741 13.946 1.645 1.00 0.00 C ATOM 1514 CG TYR A 209 108.179 13.852 3.047 1.00 0.00 C ATOM 1515 CD1 TYR A 209 108.912 14.296 4.141 1.00 0.00 C ATOM 1516 CD2 TYR A 209 106.923 13.304 3.278 1.00 0.00 C ATOM 1517 CE1 TYR A 209 108.408 14.198 5.425 1.00 0.00 C ATOM 1518 CE2 TYR A 209 106.413 13.206 4.559 1.00 0.00 C ATOM 1519 CZ TYR A 209 107.159 13.654 5.628 1.00 0.00 C ATOM 1520 OH TYR A 209 106.654 13.556 6.904 1.00 0.00 O ATOM 0 H TYR A 209 110.870 13.951 2.892 1.00 0.00 H new ATOM 0 HA TYR A 209 109.455 11.925 1.515 1.00 0.00 H new ATOM 0 HB2 TYR A 209 109.130 14.951 1.483 1.00 0.00 H new ATOM 0 HB3 TYR A 209 107.935 13.796 0.927 1.00 0.00 H new ATOM 0 HD1 TYR A 209 109.891 14.725 3.986 1.00 0.00 H new ATOM 0 HD2 TYR A 209 106.336 12.949 2.444 1.00 0.00 H new ATOM 0 HE1 TYR A 209 108.991 14.546 6.265 1.00 0.00 H new ATOM 0 HE2 TYR A 209 105.434 12.780 4.722 1.00 0.00 H new ATOM 0 HH TYR A 209 105.677 13.620 6.875 1.00 0.00 H new ATOM 1530 N GLU A 210 111.099 14.088 -0.353 1.00 0.00 N ATOM 1531 CA GLU A 210 111.629 14.299 -1.695 1.00 0.00 C ATOM 1532 C GLU A 210 112.530 13.135 -2.087 1.00 0.00 C ATOM 1533 O GLU A 210 112.540 12.685 -3.233 1.00 0.00 O ATOM 1534 CB GLU A 210 112.420 15.610 -1.762 1.00 0.00 C ATOM 1535 CG GLU A 210 111.581 16.851 -1.499 1.00 0.00 C ATOM 1536 CD GLU A 210 111.179 16.997 -0.042 1.00 0.00 C ATOM 1537 OE1 GLU A 210 111.658 16.201 0.790 1.00 0.00 O ATOM 1538 OE2 GLU A 210 110.395 17.919 0.266 1.00 0.00 O ATOM 0 H GLU A 210 111.371 14.798 0.326 1.00 0.00 H new ATOM 0 HA GLU A 210 110.792 14.359 -2.391 1.00 0.00 H new ATOM 0 HB2 GLU A 210 113.231 15.571 -1.035 1.00 0.00 H new ATOM 0 HB3 GLU A 210 112.879 15.696 -2.747 1.00 0.00 H new ATOM 0 HG2 GLU A 210 112.142 17.734 -1.806 1.00 0.00 H new ATOM 0 HG3 GLU A 210 110.683 16.813 -2.116 1.00 0.00 H new ATOM 1545 N MET A 211 113.275 12.651 -1.103 1.00 0.00 N ATOM 1546 CA MET A 211 114.183 11.529 -1.295 1.00 0.00 C ATOM 1547 C MET A 211 113.394 10.235 -1.451 1.00 0.00 C ATOM 1548 O MET A 211 113.664 9.426 -2.336 1.00 0.00 O ATOM 1549 CB MET A 211 115.141 11.427 -0.112 1.00 0.00 C ATOM 1550 CG MET A 211 116.402 10.630 -0.408 1.00 0.00 C ATOM 1551 SD MET A 211 117.676 10.877 0.841 1.00 0.00 S ATOM 1552 CE MET A 211 117.964 12.638 0.691 1.00 0.00 C ATOM 0 H MET A 211 113.267 13.023 -0.153 1.00 0.00 H new ATOM 0 HA MET A 211 114.763 11.693 -2.203 1.00 0.00 H new ATOM 0 HB2 MET A 211 115.423 12.432 0.202 1.00 0.00 H new ATOM 0 HB3 MET A 211 114.620 10.966 0.727 1.00 0.00 H new ATOM 0 HG2 MET A 211 116.154 9.570 -0.466 1.00 0.00 H new ATOM 0 HG3 MET A 211 116.792 10.920 -1.384 1.00 0.00 H new ATOM 0 HE1 MET A 211 119.032 12.841 0.776 1.00 0.00 H new ATOM 0 HE2 MET A 211 117.605 12.984 -0.278 1.00 0.00 H new ATOM 0 HE3 MET A 211 117.431 13.163 1.484 1.00 0.00 H new ATOM 1562 N HIS A 212 112.405 10.063 -0.581 1.00 0.00 N ATOM 1563 CA HIS A 212 111.551 8.881 -0.602 1.00 0.00 C ATOM 1564 C HIS A 212 110.951 8.684 -1.991 1.00 0.00 C ATOM 1565 O HIS A 212 110.691 7.558 -2.416 1.00 0.00 O ATOM 1566 CB HIS A 212 110.430 9.020 0.435 1.00 0.00 C ATOM 1567 CG HIS A 212 109.607 7.779 0.628 1.00 0.00 C ATOM 1568 ND1 HIS A 212 108.503 7.778 1.446 1.00 0.00 N ATOM 1569 CD2 HIS A 212 109.773 6.535 0.112 1.00 0.00 C ATOM 1570 CE1 HIS A 212 108.026 6.547 1.413 1.00 0.00 C ATOM 1571 NE2 HIS A 212 108.762 5.755 0.619 1.00 0.00 N ATOM 0 H HIS A 212 112.174 10.733 0.153 1.00 0.00 H new ATOM 0 HA HIS A 212 112.158 8.010 -0.354 1.00 0.00 H new ATOM 0 HB2 HIS A 212 110.869 9.302 1.392 1.00 0.00 H new ATOM 0 HB3 HIS A 212 109.772 9.835 0.134 1.00 0.00 H new ATOM 0 HD2 HIS A 212 110.551 6.219 -0.567 1.00 0.00 H new ATOM 0 HE1 HIS A 212 107.153 6.219 1.957 1.00 0.00 H new ATOM 0 HE2 HIS A 212 108.602 4.766 0.429 1.00 0.00 H new ATOM 1579 N THR A 213 110.724 9.791 -2.690 1.00 0.00 N ATOM 1580 CA THR A 213 110.142 9.748 -4.025 1.00 0.00 C ATOM 1581 C THR A 213 111.152 9.230 -5.037 1.00 0.00 C ATOM 1582 O THR A 213 110.821 8.436 -5.917 1.00 0.00 O ATOM 1583 CB THR A 213 109.668 11.140 -4.413 1.00 0.00 C ATOM 1584 OG1 THR A 213 110.768 12.012 -4.608 1.00 0.00 O ATOM 1585 CG2 THR A 213 108.779 11.748 -3.353 1.00 0.00 C ATOM 0 H THR A 213 110.935 10.730 -2.353 1.00 0.00 H new ATOM 0 HA THR A 213 109.292 9.065 -4.020 1.00 0.00 H new ATOM 0 HB THR A 213 109.104 11.024 -5.338 1.00 0.00 H new ATOM 0 HG1 THR A 213 111.367 11.960 -3.834 1.00 0.00 H new ATOM 0 HG21 THR A 213 108.463 12.742 -3.670 1.00 0.00 H new ATOM 0 HG22 THR A 213 107.902 11.117 -3.208 1.00 0.00 H new ATOM 0 HG23 THR A 213 109.330 11.824 -2.416 1.00 0.00 H new ATOM 1593 N CYS A 214 112.389 9.704 -4.907 1.00 0.00 N ATOM 1594 CA CYS A 214 113.449 9.303 -5.818 1.00 0.00 C ATOM 1595 C CYS A 214 113.475 7.790 -5.902 1.00 0.00 C ATOM 1596 O CYS A 214 113.686 7.218 -6.970 1.00 0.00 O ATOM 1597 CB CYS A 214 114.803 9.835 -5.318 1.00 0.00 C ATOM 1598 SG CYS A 214 116.254 9.259 -6.265 1.00 0.00 S ATOM 0 H CYS A 214 112.677 10.362 -4.183 1.00 0.00 H new ATOM 0 HA CYS A 214 113.263 9.719 -6.808 1.00 0.00 H new ATOM 0 HB2 CYS A 214 114.780 10.924 -5.343 1.00 0.00 H new ATOM 0 HB3 CYS A 214 114.929 9.543 -4.275 1.00 0.00 H new ATOM 1603 N LEU A 215 113.253 7.148 -4.764 1.00 0.00 N ATOM 1604 CA LEU A 215 113.244 5.697 -4.695 1.00 0.00 C ATOM 1605 C LEU A 215 112.036 5.128 -5.451 1.00 0.00 C ATOM 1606 O LEU A 215 112.140 4.122 -6.145 1.00 0.00 O ATOM 1607 CB LEU A 215 113.212 5.254 -3.227 1.00 0.00 C ATOM 1608 CG LEU A 215 113.679 6.313 -2.221 1.00 0.00 C ATOM 1609 CD1 LEU A 215 113.619 5.755 -0.806 1.00 0.00 C ATOM 1610 CD2 LEU A 215 115.096 6.782 -2.539 1.00 0.00 C ATOM 0 H LEU A 215 113.076 7.613 -3.873 1.00 0.00 H new ATOM 0 HA LEU A 215 114.149 5.314 -5.166 1.00 0.00 H new ATOM 0 HB2 LEU A 215 112.194 4.958 -2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 215 113.838 4.368 -3.116 1.00 0.00 H new ATOM 0 HG LEU A 215 113.010 7.171 -2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 215 113.953 6.516 -0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 215 112.594 5.467 -0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 215 114.267 4.882 -0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 215 115.403 7.533 -1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 215 115.779 5.933 -2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 215 115.120 7.215 -3.539 1.00 0.00 H new ATOM 1622 N GLY A 216 110.889 5.778 -5.293 1.00 0.00 N ATOM 1623 CA GLY A 216 109.669 5.324 -5.944 1.00 0.00 C ATOM 1624 C GLY A 216 109.835 4.998 -7.424 1.00 0.00 C ATOM 1625 O GLY A 216 109.541 3.883 -7.852 1.00 0.00 O ATOM 0 H GLY A 216 110.780 6.617 -4.723 1.00 0.00 H new ATOM 0 HA2 GLY A 216 109.303 4.437 -5.427 1.00 0.00 H new ATOM 0 HA3 GLY A 216 108.905 6.094 -5.836 1.00 0.00 H new ATOM 1629 N GLU A 217 110.276 5.977 -8.208 1.00 0.00 N ATOM 1630 CA GLU A 217 110.446 5.793 -9.653 1.00 0.00 C ATOM 1631 C GLU A 217 111.734 5.053 -10.014 1.00 0.00 C ATOM 1632 O GLU A 217 111.695 4.119 -10.812 1.00 0.00 O ATOM 1633 CB GLU A 217 110.396 7.141 -10.375 1.00 0.00 C ATOM 1634 CG GLU A 217 109.082 7.883 -10.189 1.00 0.00 C ATOM 1635 CD GLU A 217 109.069 9.228 -10.890 1.00 0.00 C ATOM 1636 OE1 GLU A 217 110.088 9.578 -11.521 1.00 0.00 O ATOM 1637 OE2 GLU A 217 108.039 9.929 -10.808 1.00 0.00 O ATOM 0 H GLU A 217 110.523 6.907 -7.871 1.00 0.00 H new ATOM 0 HA GLU A 217 109.616 5.168 -9.984 1.00 0.00 H new ATOM 0 HB2 GLU A 217 111.212 7.768 -10.014 1.00 0.00 H new ATOM 0 HB3 GLU A 217 110.565 6.980 -11.440 1.00 0.00 H new ATOM 0 HG2 GLU A 217 108.265 7.270 -10.571 1.00 0.00 H new ATOM 0 HG3 GLU A 217 108.899 8.030 -9.125 1.00 0.00 H new ATOM 1644 N MET A 218 112.868 5.444 -9.456 1.00 0.00 N ATOM 1645 CA MET A 218 114.115 4.759 -9.786 1.00 0.00 C ATOM 1646 C MET A 218 113.968 3.256 -9.540 1.00 0.00 C ATOM 1647 O MET A 218 114.819 2.461 -9.940 1.00 0.00 O ATOM 1648 CB MET A 218 115.281 5.329 -8.978 1.00 0.00 C ATOM 1649 CG MET A 218 115.265 4.918 -7.522 1.00 0.00 C ATOM 1650 SD MET A 218 116.348 5.938 -6.503 1.00 0.00 S ATOM 1651 CE MET A 218 117.925 5.661 -7.302 1.00 0.00 C ATOM 0 H MET A 218 112.956 6.211 -8.789 1.00 0.00 H new ATOM 0 HA MET A 218 114.331 4.921 -10.842 1.00 0.00 H new ATOM 0 HB2 MET A 218 116.218 5.003 -9.429 1.00 0.00 H new ATOM 0 HB3 MET A 218 115.258 6.417 -9.040 1.00 0.00 H new ATOM 0 HG2 MET A 218 114.246 4.983 -7.141 1.00 0.00 H new ATOM 0 HG3 MET A 218 115.570 3.875 -7.439 1.00 0.00 H new ATOM 0 HE1 MET A 218 118.704 5.566 -6.546 1.00 0.00 H new ATOM 0 HE2 MET A 218 117.878 4.746 -7.892 1.00 0.00 H new ATOM 0 HE3 MET A 218 118.154 6.502 -7.956 1.00 0.00 H new ATOM 1661 N TYR A 219 112.869 2.881 -8.883 1.00 0.00 N ATOM 1662 CA TYR A 219 112.573 1.480 -8.576 1.00 0.00 C ATOM 1663 C TYR A 219 111.880 0.784 -9.746 1.00 0.00 C ATOM 1664 O TYR A 219 112.006 -0.429 -9.918 1.00 0.00 O ATOM 1665 CB TYR A 219 111.709 1.400 -7.314 1.00 0.00 C ATOM 1666 CG TYR A 219 112.511 1.239 -6.037 1.00 0.00 C ATOM 1667 CD1 TYR A 219 113.597 2.061 -5.766 1.00 0.00 C ATOM 1668 CD2 TYR A 219 112.169 0.277 -5.098 1.00 0.00 C ATOM 1669 CE1 TYR A 219 114.321 1.923 -4.597 1.00 0.00 C ATOM 1670 CE2 TYR A 219 112.890 0.133 -3.929 1.00 0.00 C ATOM 1671 CZ TYR A 219 113.965 0.958 -3.683 1.00 0.00 C ATOM 1672 OH TYR A 219 114.683 0.818 -2.518 1.00 0.00 O ATOM 0 H TYR A 219 112.162 3.536 -8.550 1.00 0.00 H new ATOM 0 HA TYR A 219 113.516 0.961 -8.401 1.00 0.00 H new ATOM 0 HB2 TYR A 219 111.103 2.303 -7.241 1.00 0.00 H new ATOM 0 HB3 TYR A 219 111.020 0.561 -7.408 1.00 0.00 H new ATOM 0 HD1 TYR A 219 113.880 2.820 -6.480 1.00 0.00 H new ATOM 0 HD2 TYR A 219 111.325 -0.370 -5.284 1.00 0.00 H new ATOM 0 HE1 TYR A 219 115.163 2.570 -4.402 1.00 0.00 H new ATOM 0 HE2 TYR A 219 112.612 -0.624 -3.210 1.00 0.00 H new ATOM 0 HH TYR A 219 115.256 1.603 -2.390 1.00 0.00 H new ATOM 1682 N VAL A 220 111.153 1.552 -10.549 1.00 0.00 N ATOM 1683 CA VAL A 220 110.449 0.998 -11.701 1.00 0.00 C ATOM 1684 C VAL A 220 111.398 0.781 -12.876 1.00 0.00 C ATOM 1685 O VAL A 220 111.112 -0.001 -13.783 1.00 0.00 O ATOM 1686 CB VAL A 220 109.291 1.913 -12.153 1.00 0.00 C ATOM 1687 CG1 VAL A 220 108.315 2.134 -11.005 1.00 0.00 C ATOM 1688 CG2 VAL A 220 109.809 3.247 -12.699 1.00 0.00 C ATOM 0 H VAL A 220 111.035 2.558 -10.425 1.00 0.00 H new ATOM 0 HA VAL A 220 110.040 0.038 -11.385 1.00 0.00 H new ATOM 0 HB VAL A 220 108.764 1.414 -12.966 1.00 0.00 H new ATOM 0 HG11 VAL A 220 107.503 2.781 -11.337 1.00 0.00 H new ATOM 0 HG12 VAL A 220 107.907 1.175 -10.685 1.00 0.00 H new ATOM 0 HG13 VAL A 220 108.835 2.604 -10.170 1.00 0.00 H new ATOM 0 HG21 VAL A 220 108.966 3.866 -13.008 1.00 0.00 H new ATOM 0 HG22 VAL A 220 110.373 3.764 -11.922 1.00 0.00 H new ATOM 0 HG23 VAL A 220 110.457 3.062 -13.556 1.00 0.00 H new ATOM 1698 N SER A 221 112.525 1.489 -12.857 1.00 0.00 N ATOM 1699 CA SER A 221 113.515 1.385 -13.924 1.00 0.00 C ATOM 1700 C SER A 221 114.141 -0.005 -13.966 1.00 0.00 C ATOM 1701 O SER A 221 114.060 -0.700 -14.979 1.00 0.00 O ATOM 1702 CB SER A 221 114.606 2.440 -13.738 1.00 0.00 C ATOM 1703 OG SER A 221 115.578 2.357 -14.766 1.00 0.00 O ATOM 0 H SER A 221 112.775 2.141 -12.113 1.00 0.00 H new ATOM 0 HA SER A 221 113.004 1.557 -14.871 1.00 0.00 H new ATOM 0 HB2 SER A 221 114.158 3.434 -13.736 1.00 0.00 H new ATOM 0 HB3 SER A 221 115.085 2.305 -12.768 1.00 0.00 H new ATOM 0 HG SER A 221 116.263 3.043 -14.625 1.00 0.00 H new ATOM 1709 N ASP A 222 114.765 -0.408 -12.863 1.00 0.00 N ATOM 1710 CA ASP A 222 115.403 -1.719 -12.785 1.00 0.00 C ATOM 1711 C ASP A 222 114.382 -2.791 -12.422 1.00 0.00 C ATOM 1712 O ASP A 222 113.852 -2.809 -11.312 1.00 0.00 O ATOM 1713 CB ASP A 222 116.538 -1.703 -11.761 1.00 0.00 C ATOM 1714 CG ASP A 222 117.615 -0.694 -12.106 1.00 0.00 C ATOM 1715 OD1 ASP A 222 117.295 0.511 -12.190 1.00 0.00 O ATOM 1716 OD2 ASP A 222 118.778 -1.107 -12.294 1.00 0.00 O ATOM 0 H ASP A 222 114.843 0.152 -12.014 1.00 0.00 H new ATOM 0 HA ASP A 222 115.820 -1.954 -13.764 1.00 0.00 H new ATOM 0 HB2 ASP A 222 116.131 -1.474 -10.776 1.00 0.00 H new ATOM 0 HB3 ASP A 222 116.982 -2.697 -11.699 1.00 0.00 H new ATOM 1721 N GLU A 223 114.107 -3.679 -13.371 1.00 0.00 N ATOM 1722 CA GLU A 223 113.144 -4.752 -13.160 1.00 0.00 C ATOM 1723 C GLU A 223 113.657 -5.784 -12.161 1.00 0.00 C ATOM 1724 O GLU A 223 112.889 -6.630 -11.702 1.00 0.00 O ATOM 1725 CB GLU A 223 112.781 -5.424 -14.485 1.00 0.00 C ATOM 1726 CG GLU A 223 113.970 -6.041 -15.201 1.00 0.00 C ATOM 1727 CD GLU A 223 113.585 -6.700 -16.511 1.00 0.00 C ATOM 1728 OE1 GLU A 223 112.385 -6.674 -16.858 1.00 0.00 O ATOM 1729 OE2 GLU A 223 114.482 -7.242 -17.190 1.00 0.00 O ATOM 0 H GLU A 223 114.539 -3.676 -14.295 1.00 0.00 H new ATOM 0 HA GLU A 223 112.245 -4.303 -12.739 1.00 0.00 H new ATOM 0 HB2 GLU A 223 112.038 -6.199 -14.298 1.00 0.00 H new ATOM 0 HB3 GLU A 223 112.315 -4.688 -15.140 1.00 0.00 H new ATOM 0 HG2 GLU A 223 114.715 -5.269 -15.392 1.00 0.00 H new ATOM 0 HG3 GLU A 223 114.437 -6.780 -14.550 1.00 0.00 H new ATOM 1736 N ARG A 224 114.931 -5.708 -11.784 1.00 0.00 N ATOM 1737 CA ARG A 224 115.451 -6.647 -10.798 1.00 0.00 C ATOM 1738 C ARG A 224 114.769 -6.365 -9.464 1.00 0.00 C ATOM 1739 O ARG A 224 114.269 -7.270 -8.796 1.00 0.00 O ATOM 1740 CB ARG A 224 116.970 -6.540 -10.659 1.00 0.00 C ATOM 1741 CG ARG A 224 117.535 -7.459 -9.588 1.00 0.00 C ATOM 1742 CD ARG A 224 119.049 -7.369 -9.507 1.00 0.00 C ATOM 1743 NE ARG A 224 119.585 -8.211 -8.439 1.00 0.00 N ATOM 1744 CZ ARG A 224 119.463 -9.535 -8.411 1.00 0.00 C ATOM 1745 NH1 ARG A 224 118.872 -10.172 -9.413 1.00 0.00 N ATOM 1746 NH2 ARG A 224 119.941 -10.225 -7.384 1.00 0.00 N ATOM 0 H ARG A 224 115.604 -5.027 -12.135 1.00 0.00 H new ATOM 0 HA ARG A 224 115.237 -7.664 -11.125 1.00 0.00 H new ATOM 0 HB2 ARG A 224 117.434 -6.778 -11.616 1.00 0.00 H new ATOM 0 HB3 ARG A 224 117.236 -5.510 -10.423 1.00 0.00 H new ATOM 0 HG2 ARG A 224 117.103 -7.199 -8.621 1.00 0.00 H new ATOM 0 HG3 ARG A 224 117.243 -8.487 -9.801 1.00 0.00 H new ATOM 0 HD2 ARG A 224 119.483 -7.671 -10.460 1.00 0.00 H new ATOM 0 HD3 ARG A 224 119.343 -6.333 -9.336 1.00 0.00 H new ATOM 0 HE ARG A 224 120.081 -7.757 -7.672 1.00 0.00 H new ATOM 0 HH11 ARG A 224 118.509 -9.646 -10.208 1.00 0.00 H new ATOM 0 HH12 ARG A 224 118.780 -11.188 -9.388 1.00 0.00 H new ATOM 0 HH21 ARG A 224 120.403 -9.740 -6.615 1.00 0.00 H new ATOM 0 HH22 ARG A 224 119.847 -11.240 -7.364 1.00 0.00 H new ATOM 1760 N PHE A 225 114.710 -5.081 -9.123 1.00 0.00 N ATOM 1761 CA PHE A 225 114.045 -4.622 -7.912 1.00 0.00 C ATOM 1762 C PHE A 225 112.574 -5.004 -7.944 1.00 0.00 C ATOM 1763 O PHE A 225 112.051 -5.608 -7.012 1.00 0.00 O ATOM 1764 CB PHE A 225 114.153 -3.096 -7.810 1.00 0.00 C ATOM 1765 CG PHE A 225 115.535 -2.603 -7.476 1.00 0.00 C ATOM 1766 CD1 PHE A 225 116.601 -2.854 -8.325 1.00 0.00 C ATOM 1767 CD2 PHE A 225 115.766 -1.886 -6.311 1.00 0.00 C ATOM 1768 CE1 PHE A 225 117.870 -2.399 -8.019 1.00 0.00 C ATOM 1769 CE2 PHE A 225 117.032 -1.430 -6.000 1.00 0.00 C ATOM 1770 CZ PHE A 225 118.084 -1.685 -6.855 1.00 0.00 C ATOM 0 H PHE A 225 115.122 -4.332 -9.679 1.00 0.00 H new ATOM 0 HA PHE A 225 114.526 -5.090 -7.053 1.00 0.00 H new ATOM 0 HB2 PHE A 225 113.840 -2.655 -8.757 1.00 0.00 H new ATOM 0 HB3 PHE A 225 113.458 -2.743 -7.048 1.00 0.00 H new ATOM 0 HD1 PHE A 225 116.439 -3.411 -9.236 1.00 0.00 H new ATOM 0 HD2 PHE A 225 114.946 -1.682 -5.639 1.00 0.00 H new ATOM 0 HE1 PHE A 225 118.693 -2.601 -8.688 1.00 0.00 H new ATOM 0 HE2 PHE A 225 117.198 -0.875 -5.089 1.00 0.00 H new ATOM 0 HZ PHE A 225 119.074 -1.327 -6.615 1.00 0.00 H new ATOM 1780 N THR A 226 111.917 -4.637 -9.035 1.00 0.00 N ATOM 1781 CA THR A 226 110.501 -4.916 -9.225 1.00 0.00 C ATOM 1782 C THR A 226 110.185 -6.394 -9.021 1.00 0.00 C ATOM 1783 O THR A 226 109.323 -6.746 -8.225 1.00 0.00 O ATOM 1784 CB THR A 226 110.094 -4.507 -10.632 1.00 0.00 C ATOM 1785 OG1 THR A 226 110.538 -3.192 -10.922 1.00 0.00 O ATOM 1786 CG2 THR A 226 108.601 -4.543 -10.863 1.00 0.00 C ATOM 0 H THR A 226 112.350 -4.138 -9.812 1.00 0.00 H new ATOM 0 HA THR A 226 109.942 -4.345 -8.483 1.00 0.00 H new ATOM 0 HB THR A 226 110.564 -5.240 -11.288 1.00 0.00 H new ATOM 0 HG1 THR A 226 110.268 -2.949 -11.832 1.00 0.00 H new ATOM 0 HG21 THR A 226 108.384 -4.240 -11.887 1.00 0.00 H new ATOM 0 HG22 THR A 226 108.232 -5.555 -10.698 1.00 0.00 H new ATOM 0 HG23 THR A 226 108.109 -3.860 -10.170 1.00 0.00 H new ATOM 1794 N ARG A 227 110.877 -7.257 -9.758 1.00 0.00 N ATOM 1795 CA ARG A 227 110.652 -8.696 -9.659 1.00 0.00 C ATOM 1796 C ARG A 227 110.829 -9.182 -8.224 1.00 0.00 C ATOM 1797 O ARG A 227 110.068 -10.023 -7.738 1.00 0.00 O ATOM 1798 CB ARG A 227 111.612 -9.447 -10.583 1.00 0.00 C ATOM 1799 CG ARG A 227 111.442 -10.957 -10.542 1.00 0.00 C ATOM 1800 CD ARG A 227 112.425 -11.654 -11.469 1.00 0.00 C ATOM 1801 NE ARG A 227 113.813 -11.369 -11.113 1.00 0.00 N ATOM 1802 CZ ARG A 227 114.370 -11.735 -9.962 1.00 0.00 C ATOM 1803 NH1 ARG A 227 113.670 -12.419 -9.069 1.00 0.00 N ATOM 1804 NH2 ARG A 227 115.634 -11.422 -9.708 1.00 0.00 N ATOM 0 H ARG A 227 111.596 -6.987 -10.429 1.00 0.00 H new ATOM 0 HA ARG A 227 109.626 -8.897 -9.966 1.00 0.00 H new ATOM 0 HB2 ARG A 227 111.463 -9.101 -11.606 1.00 0.00 H new ATOM 0 HB3 ARG A 227 112.637 -9.198 -10.308 1.00 0.00 H new ATOM 0 HG2 ARG A 227 111.587 -11.313 -9.522 1.00 0.00 H new ATOM 0 HG3 ARG A 227 110.423 -11.217 -10.828 1.00 0.00 H new ATOM 0 HD2 ARG A 227 112.256 -12.730 -11.433 1.00 0.00 H new ATOM 0 HD3 ARG A 227 112.242 -11.337 -12.496 1.00 0.00 H new ATOM 0 HE ARG A 227 114.387 -10.861 -11.785 1.00 0.00 H new ATOM 0 HH11 ARG A 227 112.700 -12.667 -9.263 1.00 0.00 H new ATOM 0 HH12 ARG A 227 114.101 -12.698 -8.188 1.00 0.00 H new ATOM 0 HH21 ARG A 227 116.178 -10.901 -10.395 1.00 0.00 H new ATOM 0 HH22 ARG A 227 116.061 -11.703 -8.825 1.00 0.00 H new ATOM 1818 N ASN A 228 111.819 -8.624 -7.539 1.00 0.00 N ATOM 1819 CA ASN A 228 112.077 -8.988 -6.154 1.00 0.00 C ATOM 1820 C ASN A 228 111.039 -8.348 -5.247 1.00 0.00 C ATOM 1821 O ASN A 228 110.595 -8.949 -4.268 1.00 0.00 O ATOM 1822 CB ASN A 228 113.485 -8.566 -5.730 1.00 0.00 C ATOM 1823 CG ASN A 228 114.567 -9.297 -6.500 1.00 0.00 C ATOM 1824 OD1 ASN A 228 114.616 -10.527 -6.508 1.00 0.00 O ATOM 1825 ND2 ASN A 228 115.447 -8.542 -7.147 1.00 0.00 N ATOM 0 H ASN A 228 112.453 -7.921 -7.919 1.00 0.00 H new ATOM 0 HA ASN A 228 112.008 -10.072 -6.065 1.00 0.00 H new ATOM 0 HB2 ASN A 228 113.599 -7.492 -5.880 1.00 0.00 H new ATOM 0 HB3 ASN A 228 113.612 -8.755 -4.664 1.00 0.00 H new ATOM 0 HD21 ASN A 228 116.201 -8.978 -7.677 1.00 0.00 H new ATOM 0 HD22 ASN A 228 115.369 -7.526 -7.114 1.00 0.00 H new ATOM 1832 N ILE A 229 110.641 -7.130 -5.592 1.00 0.00 N ATOM 1833 CA ILE A 229 109.637 -6.411 -4.824 1.00 0.00 C ATOM 1834 C ILE A 229 108.235 -6.929 -5.130 1.00 0.00 C ATOM 1835 O ILE A 229 107.437 -7.146 -4.220 1.00 0.00 O ATOM 1836 CB ILE A 229 109.709 -4.886 -5.089 1.00 0.00 C ATOM 1837 CG1 ILE A 229 111.009 -4.321 -4.502 1.00 0.00 C ATOM 1838 CG2 ILE A 229 108.497 -4.155 -4.498 1.00 0.00 C ATOM 1839 CD1 ILE A 229 111.167 -2.831 -4.705 1.00 0.00 C ATOM 0 H ILE A 229 110.999 -6.620 -6.400 1.00 0.00 H new ATOM 0 HA ILE A 229 109.850 -6.587 -3.770 1.00 0.00 H new ATOM 0 HB ILE A 229 109.697 -4.726 -6.167 1.00 0.00 H new ATOM 0 HG12 ILE A 229 111.041 -4.539 -3.435 1.00 0.00 H new ATOM 0 HG13 ILE A 229 111.856 -4.833 -4.958 1.00 0.00 H new ATOM 0 HG21 ILE A 229 108.581 -3.088 -4.703 1.00 0.00 H new ATOM 0 HG22 ILE A 229 107.583 -4.541 -4.950 1.00 0.00 H new ATOM 0 HG23 ILE A 229 108.465 -4.316 -3.421 1.00 0.00 H new ATOM 0 HD11 ILE A 229 112.108 -2.502 -4.265 1.00 0.00 H new ATOM 0 HD12 ILE A 229 111.167 -2.607 -5.772 1.00 0.00 H new ATOM 0 HD13 ILE A 229 110.339 -2.309 -4.225 1.00 0.00 H new ATOM 1851 N ASP A 230 107.929 -7.105 -6.415 1.00 0.00 N ATOM 1852 CA ASP A 230 106.605 -7.568 -6.819 1.00 0.00 C ATOM 1853 C ASP A 230 106.382 -9.031 -6.475 1.00 0.00 C ATOM 1854 O ASP A 230 105.261 -9.521 -6.593 1.00 0.00 O ATOM 1855 CB ASP A 230 106.353 -7.333 -8.308 1.00 0.00 C ATOM 1856 CG ASP A 230 106.692 -5.927 -8.757 1.00 0.00 C ATOM 1857 OD1 ASP A 230 107.415 -5.223 -8.023 1.00 0.00 O ATOM 1858 OD2 ASP A 230 106.256 -5.538 -9.862 1.00 0.00 O ATOM 0 H ASP A 230 108.574 -6.935 -7.187 1.00 0.00 H new ATOM 0 HA ASP A 230 105.888 -6.975 -6.251 1.00 0.00 H new ATOM 0 HB2 ASP A 230 106.943 -8.044 -8.886 1.00 0.00 H new ATOM 0 HB3 ASP A 230 105.305 -7.535 -8.529 1.00 0.00 H new ATOM 1863 N ALA A 231 107.418 -9.731 -6.029 1.00 0.00 N ATOM 1864 CA ALA A 231 107.243 -11.126 -5.652 1.00 0.00 C ATOM 1865 C ALA A 231 105.916 -11.289 -4.906 1.00 0.00 C ATOM 1866 O ALA A 231 105.326 -12.369 -4.883 1.00 0.00 O ATOM 1867 CB ALA A 231 108.404 -11.597 -4.791 1.00 0.00 C ATOM 0 H ALA A 231 108.365 -9.367 -5.922 1.00 0.00 H new ATOM 0 HA ALA A 231 107.224 -11.740 -6.552 1.00 0.00 H new ATOM 0 HB1 ALA A 231 108.255 -12.642 -4.519 1.00 0.00 H new ATOM 0 HB2 ALA A 231 109.335 -11.496 -5.349 1.00 0.00 H new ATOM 0 HB3 ALA A 231 108.456 -10.991 -3.887 1.00 0.00 H new ATOM 1873 N ALA A 232 105.456 -10.187 -4.301 1.00 0.00 N ATOM 1874 CA ALA A 232 104.199 -10.173 -3.555 1.00 0.00 C ATOM 1875 C ALA A 232 103.009 -9.898 -4.475 1.00 0.00 C ATOM 1876 O ALA A 232 101.934 -10.468 -4.293 1.00 0.00 O ATOM 1877 CB ALA A 232 104.263 -9.131 -2.446 1.00 0.00 C ATOM 0 H ALA A 232 105.942 -9.290 -4.316 1.00 0.00 H new ATOM 0 HA ALA A 232 104.056 -11.159 -3.112 1.00 0.00 H new ATOM 0 HB1 ALA A 232 103.322 -9.127 -1.895 1.00 0.00 H new ATOM 0 HB2 ALA A 232 105.080 -9.373 -1.766 1.00 0.00 H new ATOM 0 HB3 ALA A 232 104.432 -8.146 -2.881 1.00 0.00 H new ATOM 1883 N LYS A 233 103.224 -9.056 -5.488 1.00 0.00 N ATOM 1884 CA LYS A 233 102.180 -8.744 -6.465 1.00 0.00 C ATOM 1885 C LYS A 233 102.706 -7.784 -7.528 1.00 0.00 C ATOM 1886 O LYS A 233 103.494 -6.887 -7.225 1.00 0.00 O ATOM 1887 CB LYS A 233 100.925 -8.159 -5.790 1.00 0.00 C ATOM 1888 CG LYS A 233 101.044 -6.702 -5.344 1.00 0.00 C ATOM 1889 CD LYS A 233 100.836 -5.685 -6.475 1.00 0.00 C ATOM 1890 CE LYS A 233 99.508 -5.863 -7.198 1.00 0.00 C ATOM 1891 NZ LYS A 233 99.536 -6.992 -8.167 1.00 0.00 N ATOM 0 H LYS A 233 104.110 -8.579 -5.653 1.00 0.00 H new ATOM 0 HA LYS A 233 101.894 -9.679 -6.946 1.00 0.00 H new ATOM 0 HB2 LYS A 233 100.087 -8.243 -6.482 1.00 0.00 H new ATOM 0 HB3 LYS A 233 100.682 -8.770 -4.920 1.00 0.00 H new ATOM 0 HG2 LYS A 233 100.312 -6.512 -4.559 1.00 0.00 H new ATOM 0 HG3 LYS A 233 102.030 -6.546 -4.905 1.00 0.00 H new ATOM 0 HD2 LYS A 233 100.887 -4.677 -6.064 1.00 0.00 H new ATOM 0 HD3 LYS A 233 101.650 -5.778 -7.194 1.00 0.00 H new ATOM 0 HE2 LYS A 233 98.719 -6.036 -6.466 1.00 0.00 H new ATOM 0 HE3 LYS A 233 99.258 -4.942 -7.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 233 98.600 -7.094 -8.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 233 100.247 -6.801 -8.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 233 99.781 -7.871 -7.669 1.00 0.00 H new ATOM 1905 N PRO A 234 102.281 -7.957 -8.793 1.00 0.00 N ATOM 1906 CA PRO A 234 102.715 -7.090 -9.899 1.00 0.00 C ATOM 1907 C PRO A 234 102.102 -5.692 -9.821 1.00 0.00 C ATOM 1908 O PRO A 234 100.920 -5.540 -9.512 1.00 0.00 O ATOM 1909 CB PRO A 234 102.204 -7.831 -11.139 1.00 0.00 C ATOM 1910 CG PRO A 234 101.016 -8.586 -10.654 1.00 0.00 C ATOM 1911 CD PRO A 234 101.352 -9.009 -9.250 1.00 0.00 C ATOM 0 HA PRO A 234 103.792 -6.924 -9.892 1.00 0.00 H new ATOM 0 HB2 PRO A 234 101.936 -7.136 -11.935 1.00 0.00 H new ATOM 0 HB3 PRO A 234 102.963 -8.501 -11.543 1.00 0.00 H new ATOM 0 HG2 PRO A 234 100.121 -7.963 -10.672 1.00 0.00 H new ATOM 0 HG3 PRO A 234 100.816 -9.451 -11.287 1.00 0.00 H new ATOM 0 HD2 PRO A 234 100.463 -9.061 -8.622 1.00 0.00 H new ATOM 0 HD3 PRO A 234 101.817 -9.995 -9.227 1.00 0.00 H new ATOM 1919 N GLY A 235 102.904 -4.675 -10.131 1.00 0.00 N ATOM 1920 CA GLY A 235 102.419 -3.304 -10.121 1.00 0.00 C ATOM 1921 C GLY A 235 102.510 -2.623 -8.765 1.00 0.00 C ATOM 1922 O GLY A 235 102.249 -1.424 -8.660 1.00 0.00 O ATOM 0 H GLY A 235 103.885 -4.777 -10.390 1.00 0.00 H new ATOM 0 HA2 GLY A 235 102.989 -2.723 -10.846 1.00 0.00 H new ATOM 0 HA3 GLY A 235 101.380 -3.295 -10.451 1.00 0.00 H new ATOM 1926 N LEU A 236 102.849 -3.373 -7.722 1.00 0.00 N ATOM 1927 CA LEU A 236 102.925 -2.791 -6.384 1.00 0.00 C ATOM 1928 C LEU A 236 103.832 -1.567 -6.361 1.00 0.00 C ATOM 1929 O LEU A 236 103.527 -0.572 -5.705 1.00 0.00 O ATOM 1930 CB LEU A 236 103.404 -3.816 -5.348 1.00 0.00 C ATOM 1931 CG LEU A 236 104.918 -3.907 -5.117 1.00 0.00 C ATOM 1932 CD1 LEU A 236 105.212 -4.780 -3.896 1.00 0.00 C ATOM 1933 CD2 LEU A 236 105.628 -4.452 -6.352 1.00 0.00 C ATOM 0 H LEU A 236 103.072 -4.367 -7.772 1.00 0.00 H new ATOM 0 HA LEU A 236 101.915 -2.480 -6.118 1.00 0.00 H new ATOM 0 HB2 LEU A 236 102.928 -3.585 -4.395 1.00 0.00 H new ATOM 0 HB3 LEU A 236 103.047 -4.800 -5.652 1.00 0.00 H new ATOM 0 HG LEU A 236 105.298 -2.903 -4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 236 106.289 -4.838 -3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 236 104.742 -4.344 -3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 236 104.815 -5.782 -4.061 1.00 0.00 H new ATOM 0 HD21 LEU A 236 106.700 -4.506 -6.161 1.00 0.00 H new ATOM 0 HD22 LEU A 236 105.249 -5.448 -6.580 1.00 0.00 H new ATOM 0 HD23 LEU A 236 105.443 -3.791 -7.199 1.00 0.00 H new ATOM 1945 N ALA A 237 104.947 -1.648 -7.075 1.00 0.00 N ATOM 1946 CA ALA A 237 105.901 -0.550 -7.130 1.00 0.00 C ATOM 1947 C ALA A 237 105.232 0.734 -7.615 1.00 0.00 C ATOM 1948 O ALA A 237 105.471 1.811 -7.069 1.00 0.00 O ATOM 1949 CB ALA A 237 107.085 -0.928 -8.007 1.00 0.00 C ATOM 0 H ALA A 237 105.213 -2.465 -7.625 1.00 0.00 H new ATOM 0 HA ALA A 237 106.272 -0.360 -6.123 1.00 0.00 H new ATOM 0 HB1 ALA A 237 107.792 -0.099 -8.041 1.00 0.00 H new ATOM 0 HB2 ALA A 237 107.577 -1.808 -7.594 1.00 0.00 H new ATOM 0 HB3 ALA A 237 106.735 -1.148 -9.016 1.00 0.00 H new ATOM 1955 N ALA A 238 104.383 0.622 -8.626 1.00 0.00 N ATOM 1956 CA ALA A 238 103.677 1.788 -9.143 1.00 0.00 C ATOM 1957 C ALA A 238 102.662 2.312 -8.122 1.00 0.00 C ATOM 1958 O ALA A 238 102.492 3.520 -7.958 1.00 0.00 O ATOM 1959 CB ALA A 238 102.995 1.463 -10.463 1.00 0.00 C ATOM 0 H ALA A 238 104.167 -0.254 -9.101 1.00 0.00 H new ATOM 0 HA ALA A 238 104.411 2.574 -9.322 1.00 0.00 H new ATOM 0 HB1 ALA A 238 102.474 2.347 -10.831 1.00 0.00 H new ATOM 0 HB2 ALA A 238 103.743 1.153 -11.192 1.00 0.00 H new ATOM 0 HB3 ALA A 238 102.278 0.656 -10.313 1.00 0.00 H new ATOM 1965 N TYR A 239 101.980 1.382 -7.456 1.00 0.00 N ATOM 1966 CA TYR A 239 100.955 1.710 -6.461 1.00 0.00 C ATOM 1967 C TYR A 239 101.528 2.478 -5.271 1.00 0.00 C ATOM 1968 O TYR A 239 100.870 3.350 -4.703 1.00 0.00 O ATOM 1969 CB TYR A 239 100.310 0.423 -5.957 1.00 0.00 C ATOM 1970 CG TYR A 239 99.190 0.648 -4.965 1.00 0.00 C ATOM 1971 CD1 TYR A 239 98.016 1.280 -5.351 1.00 0.00 C ATOM 1972 CD2 TYR A 239 99.308 0.235 -3.642 1.00 0.00 C ATOM 1973 CE1 TYR A 239 96.990 1.493 -4.451 1.00 0.00 C ATOM 1974 CE2 TYR A 239 98.286 0.442 -2.736 1.00 0.00 C ATOM 1975 CZ TYR A 239 97.130 1.072 -3.145 1.00 0.00 C ATOM 1976 OH TYR A 239 96.110 1.281 -2.245 1.00 0.00 O ATOM 0 H TYR A 239 102.120 0.381 -7.589 1.00 0.00 H new ATOM 0 HA TYR A 239 100.218 2.349 -6.948 1.00 0.00 H new ATOM 0 HB2 TYR A 239 99.921 -0.135 -6.809 1.00 0.00 H new ATOM 0 HB3 TYR A 239 101.076 -0.198 -5.492 1.00 0.00 H new ATOM 0 HD1 TYR A 239 97.903 1.611 -6.373 1.00 0.00 H new ATOM 0 HD2 TYR A 239 100.214 -0.256 -3.318 1.00 0.00 H new ATOM 0 HE1 TYR A 239 96.083 1.986 -4.768 1.00 0.00 H new ATOM 0 HE2 TYR A 239 98.392 0.112 -1.713 1.00 0.00 H new ATOM 0 HH TYR A 239 95.432 1.863 -2.648 1.00 0.00 H new ATOM 1986 N MET A 240 102.751 2.136 -4.891 1.00 0.00 N ATOM 1987 CA MET A 240 103.415 2.783 -3.767 1.00 0.00 C ATOM 1988 C MET A 240 103.940 4.161 -4.149 1.00 0.00 C ATOM 1989 O MET A 240 103.777 5.123 -3.402 1.00 0.00 O ATOM 1990 CB MET A 240 104.571 1.917 -3.258 1.00 0.00 C ATOM 1991 CG MET A 240 105.575 1.541 -4.323 1.00 0.00 C ATOM 1992 SD MET A 240 106.900 0.493 -3.689 1.00 0.00 S ATOM 1993 CE MET A 240 107.615 1.558 -2.438 1.00 0.00 C ATOM 0 H MET A 240 103.306 1.411 -5.346 1.00 0.00 H new ATOM 0 HA MET A 240 102.676 2.903 -2.975 1.00 0.00 H new ATOM 0 HB2 MET A 240 105.087 2.451 -2.460 1.00 0.00 H new ATOM 0 HB3 MET A 240 104.163 1.006 -2.820 1.00 0.00 H new ATOM 0 HG2 MET A 240 105.063 1.022 -5.133 1.00 0.00 H new ATOM 0 HG3 MET A 240 106.006 2.448 -4.747 1.00 0.00 H new ATOM 0 HE1 MET A 240 108.656 1.279 -2.274 1.00 0.00 H new ATOM 0 HE2 MET A 240 107.565 2.595 -2.771 1.00 0.00 H new ATOM 0 HE3 MET A 240 107.059 1.449 -1.507 1.00 0.00 H new ATOM 2003 N ARG A 241 104.589 4.249 -5.307 1.00 0.00 N ATOM 2004 CA ARG A 241 105.161 5.511 -5.764 1.00 0.00 C ATOM 2005 C ARG A 241 104.138 6.633 -5.751 1.00 0.00 C ATOM 2006 O ARG A 241 104.391 7.717 -5.230 1.00 0.00 O ATOM 2007 CB ARG A 241 105.711 5.353 -7.179 1.00 0.00 C ATOM 2008 CG ARG A 241 106.057 6.680 -7.839 1.00 0.00 C ATOM 2009 CD ARG A 241 104.897 7.258 -8.643 1.00 0.00 C ATOM 2010 NE ARG A 241 104.304 6.275 -9.547 1.00 0.00 N ATOM 2011 CZ ARG A 241 104.961 5.702 -10.550 1.00 0.00 C ATOM 2012 NH1 ARG A 241 106.223 6.031 -10.791 1.00 0.00 N ATOM 2013 NH2 ARG A 241 104.356 4.807 -11.316 1.00 0.00 N ATOM 0 H ARG A 241 104.731 3.465 -5.943 1.00 0.00 H new ATOM 0 HA ARG A 241 105.964 5.772 -5.075 1.00 0.00 H new ATOM 0 HB2 ARG A 241 106.603 4.727 -7.148 1.00 0.00 H new ATOM 0 HB3 ARG A 241 104.976 4.831 -7.791 1.00 0.00 H new ATOM 0 HG2 ARG A 241 106.355 7.396 -7.072 1.00 0.00 H new ATOM 0 HG3 ARG A 241 106.916 6.541 -8.496 1.00 0.00 H new ATOM 0 HD2 ARG A 241 104.132 7.627 -7.959 1.00 0.00 H new ATOM 0 HD3 ARG A 241 105.248 8.113 -9.220 1.00 0.00 H new ATOM 0 HE ARG A 241 103.329 6.013 -9.400 1.00 0.00 H new ATOM 0 HH11 ARG A 241 106.690 6.724 -10.206 1.00 0.00 H new ATOM 0 HH12 ARG A 241 106.727 5.591 -11.561 1.00 0.00 H new ATOM 0 HH21 ARG A 241 103.384 4.556 -11.137 1.00 0.00 H new ATOM 0 HH22 ARG A 241 104.862 4.369 -12.085 1.00 0.00 H new ATOM 2027 N ASP A 242 102.981 6.356 -6.328 1.00 0.00 N ATOM 2028 CA ASP A 242 101.902 7.333 -6.388 1.00 0.00 C ATOM 2029 C ASP A 242 101.402 7.641 -4.986 1.00 0.00 C ATOM 2030 O ASP A 242 101.098 8.788 -4.660 1.00 0.00 O ATOM 2031 CB ASP A 242 100.765 6.834 -7.285 1.00 0.00 C ATOM 2032 CG ASP A 242 100.489 5.360 -7.099 1.00 0.00 C ATOM 2033 OD1 ASP A 242 101.248 4.711 -6.358 1.00 0.00 O ATOM 2034 OD2 ASP A 242 99.522 4.853 -7.706 1.00 0.00 O ATOM 0 H ASP A 242 102.762 5.460 -6.764 1.00 0.00 H new ATOM 0 HA ASP A 242 102.286 8.254 -6.827 1.00 0.00 H new ATOM 0 HB2 ASP A 242 99.859 7.401 -7.068 1.00 0.00 H new ATOM 0 HB3 ASP A 242 101.018 7.025 -8.328 1.00 0.00 H new ATOM 2039 N ALA A 243 101.348 6.613 -4.148 1.00 0.00 N ATOM 2040 CA ALA A 243 100.919 6.786 -2.769 1.00 0.00 C ATOM 2041 C ALA A 243 101.905 7.692 -2.043 1.00 0.00 C ATOM 2042 O ALA A 243 101.514 8.585 -1.291 1.00 0.00 O ATOM 2043 CB ALA A 243 100.802 5.439 -2.072 1.00 0.00 C ATOM 0 H ALA A 243 101.595 5.656 -4.399 1.00 0.00 H new ATOM 0 HA ALA A 243 99.934 7.252 -2.754 1.00 0.00 H new ATOM 0 HB1 ALA A 243 100.480 5.589 -1.042 1.00 0.00 H new ATOM 0 HB2 ALA A 243 100.071 4.821 -2.594 1.00 0.00 H new ATOM 0 HB3 ALA A 243 101.771 4.940 -2.080 1.00 0.00 H new ATOM 2049 N ILE A 244 103.190 7.463 -2.298 1.00 0.00 N ATOM 2050 CA ILE A 244 104.255 8.256 -1.700 1.00 0.00 C ATOM 2051 C ILE A 244 104.305 9.640 -2.321 1.00 0.00 C ATOM 2052 O ILE A 244 104.500 10.638 -1.628 1.00 0.00 O ATOM 2053 CB ILE A 244 105.632 7.597 -1.910 1.00 0.00 C ATOM 2054 CG1 ILE A 244 105.699 6.229 -1.226 1.00 0.00 C ATOM 2055 CG2 ILE A 244 106.735 8.510 -1.392 1.00 0.00 C ATOM 2056 CD1 ILE A 244 106.971 5.466 -1.527 1.00 0.00 C ATOM 0 H ILE A 244 103.519 6.726 -2.922 1.00 0.00 H new ATOM 0 HA ILE A 244 104.037 8.323 -0.634 1.00 0.00 H new ATOM 0 HB ILE A 244 105.777 7.442 -2.979 1.00 0.00 H new ATOM 0 HG12 ILE A 244 105.613 6.366 -0.148 1.00 0.00 H new ATOM 0 HG13 ILE A 244 104.843 5.632 -1.541 1.00 0.00 H new ATOM 0 HG21 ILE A 244 107.703 8.034 -1.546 1.00 0.00 H new ATOM 0 HG22 ILE A 244 106.707 9.457 -1.931 1.00 0.00 H new ATOM 0 HG23 ILE A 244 106.586 8.694 -0.328 1.00 0.00 H new ATOM 0 HD11 ILE A 244 106.951 4.507 -1.010 1.00 0.00 H new ATOM 0 HD12 ILE A 244 107.049 5.298 -2.601 1.00 0.00 H new ATOM 0 HD13 ILE A 244 107.831 6.043 -1.187 1.00 0.00 H new ATOM 2068 N LEU A 245 104.146 9.692 -3.636 1.00 0.00 N ATOM 2069 CA LEU A 245 104.194 10.951 -4.347 1.00 0.00 C ATOM 2070 C LEU A 245 103.096 11.878 -3.854 1.00 0.00 C ATOM 2071 O LEU A 245 103.339 13.035 -3.515 1.00 0.00 O ATOM 2072 CB LEU A 245 104.056 10.707 -5.851 1.00 0.00 C ATOM 2073 CG LEU A 245 104.285 11.935 -6.737 1.00 0.00 C ATOM 2074 CD1 LEU A 245 103.202 12.981 -6.511 1.00 0.00 C ATOM 2075 CD2 LEU A 245 105.666 12.521 -6.473 1.00 0.00 C ATOM 0 H LEU A 245 103.983 8.876 -4.226 1.00 0.00 H new ATOM 0 HA LEU A 245 105.156 11.428 -4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 245 104.764 9.932 -6.143 1.00 0.00 H new ATOM 0 HB3 LEU A 245 103.057 10.318 -6.049 1.00 0.00 H new ATOM 0 HG LEU A 245 104.232 11.622 -7.780 1.00 0.00 H new ATOM 0 HD11 LEU A 245 103.389 13.842 -7.152 1.00 0.00 H new ATOM 0 HD12 LEU A 245 102.228 12.554 -6.751 1.00 0.00 H new ATOM 0 HD13 LEU A 245 103.213 13.296 -5.468 1.00 0.00 H new ATOM 0 HD21 LEU A 245 105.818 13.394 -7.108 1.00 0.00 H new ATOM 0 HD22 LEU A 245 105.742 12.816 -5.426 1.00 0.00 H new ATOM 0 HD23 LEU A 245 106.427 11.773 -6.695 1.00 0.00 H new ATOM 2087 N ALA A 246 101.884 11.341 -3.802 1.00 0.00 N ATOM 2088 CA ALA A 246 100.726 12.095 -3.338 1.00 0.00 C ATOM 2089 C ALA A 246 100.927 12.536 -1.896 1.00 0.00 C ATOM 2090 O ALA A 246 100.701 13.695 -1.548 1.00 0.00 O ATOM 2091 CB ALA A 246 99.463 11.257 -3.466 1.00 0.00 C ATOM 0 H ALA A 246 101.676 10.381 -4.077 1.00 0.00 H new ATOM 0 HA ALA A 246 100.616 12.983 -3.960 1.00 0.00 H new ATOM 0 HB1 ALA A 246 98.607 11.833 -3.116 1.00 0.00 H new ATOM 0 HB2 ALA A 246 99.313 10.982 -4.510 1.00 0.00 H new ATOM 0 HB3 ALA A 246 99.563 10.354 -2.864 1.00 0.00 H new ATOM 2097 N ASN A 247 101.370 11.600 -1.068 1.00 0.00 N ATOM 2098 CA ASN A 247 101.627 11.875 0.335 1.00 0.00 C ATOM 2099 C ASN A 247 102.582 13.056 0.484 1.00 0.00 C ATOM 2100 O ASN A 247 102.398 13.915 1.346 1.00 0.00 O ATOM 2101 CB ASN A 247 102.216 10.630 0.996 1.00 0.00 C ATOM 2102 CG ASN A 247 102.686 10.884 2.414 1.00 0.00 C ATOM 2103 OD1 ASN A 247 101.952 11.431 3.235 1.00 0.00 O ATOM 2104 ND2 ASN A 247 103.911 10.466 2.712 1.00 0.00 N ATOM 0 H ASN A 247 101.559 10.638 -1.348 1.00 0.00 H new ATOM 0 HA ASN A 247 100.688 12.134 0.825 1.00 0.00 H new ATOM 0 HB2 ASN A 247 101.466 9.839 1.003 1.00 0.00 H new ATOM 0 HB3 ASN A 247 103.054 10.270 0.399 1.00 0.00 H new ATOM 0 HD21 ASN A 247 104.278 10.594 3.655 1.00 0.00 H new ATOM 0 HD22 ASN A 247 104.484 10.017 1.998 1.00 0.00 H new ATOM 2111 N ALA A 248 103.605 13.085 -0.366 1.00 0.00 N ATOM 2112 CA ALA A 248 104.600 14.151 -0.339 1.00 0.00 C ATOM 2113 C ALA A 248 103.996 15.496 -0.744 1.00 0.00 C ATOM 2114 O ALA A 248 104.449 16.549 -0.298 1.00 0.00 O ATOM 2115 CB ALA A 248 105.762 13.798 -1.257 1.00 0.00 C ATOM 0 H ALA A 248 103.766 12.379 -1.084 1.00 0.00 H new ATOM 0 HA ALA A 248 104.963 14.247 0.684 1.00 0.00 H new ATOM 0 HB1 ALA A 248 106.501 14.598 -1.232 1.00 0.00 H new ATOM 0 HB2 ALA A 248 106.222 12.869 -0.921 1.00 0.00 H new ATOM 0 HB3 ALA A 248 105.396 13.674 -2.276 1.00 0.00 H new ATOM 2121 N VAL A 249 102.980 15.452 -1.603 1.00 0.00 N ATOM 2122 CA VAL A 249 102.313 16.658 -2.090 1.00 0.00 C ATOM 2123 C VAL A 249 101.478 17.344 -1.011 1.00 0.00 C ATOM 2124 O VAL A 249 101.549 18.563 -0.847 1.00 0.00 O ATOM 2125 CB VAL A 249 101.396 16.333 -3.285 1.00 0.00 C ATOM 2126 CG1 VAL A 249 100.617 17.569 -3.714 1.00 0.00 C ATOM 2127 CG2 VAL A 249 102.208 15.778 -4.450 1.00 0.00 C ATOM 0 H VAL A 249 102.597 14.585 -1.980 1.00 0.00 H new ATOM 0 HA VAL A 249 103.108 17.338 -2.396 1.00 0.00 H new ATOM 0 HB VAL A 249 100.683 15.570 -2.972 1.00 0.00 H new ATOM 0 HG11 VAL A 249 99.975 17.319 -4.559 1.00 0.00 H new ATOM 0 HG12 VAL A 249 100.004 17.919 -2.884 1.00 0.00 H new ATOM 0 HG13 VAL A 249 101.314 18.355 -4.007 1.00 0.00 H new ATOM 0 HG21 VAL A 249 101.542 15.555 -5.284 1.00 0.00 H new ATOM 0 HG22 VAL A 249 102.947 16.516 -4.763 1.00 0.00 H new ATOM 0 HG23 VAL A 249 102.716 14.866 -4.137 1.00 0.00 H new ATOM 2137 N ARG A 250 100.687 16.567 -0.280 1.00 0.00 N ATOM 2138 CA ARG A 250 99.848 17.122 0.772 1.00 0.00 C ATOM 2139 C ARG A 250 100.705 17.739 1.869 1.00 0.00 C ATOM 2140 O ARG A 250 100.235 18.559 2.658 1.00 0.00 O ATOM 2141 CB ARG A 250 98.947 16.042 1.356 1.00 0.00 C ATOM 2142 CG ARG A 250 99.703 14.820 1.840 1.00 0.00 C ATOM 2143 CD ARG A 250 98.809 13.916 2.667 1.00 0.00 C ATOM 2144 NE ARG A 250 99.510 12.731 3.151 1.00 0.00 N ATOM 2145 CZ ARG A 250 98.950 11.816 3.936 1.00 0.00 C ATOM 2146 NH1 ARG A 250 97.688 11.954 4.320 1.00 0.00 N ATOM 2147 NH2 ARG A 250 99.648 10.763 4.338 1.00 0.00 N ATOM 0 H ARG A 250 100.610 15.557 -0.396 1.00 0.00 H new ATOM 0 HA ARG A 250 99.224 17.903 0.338 1.00 0.00 H new ATOM 0 HB2 ARG A 250 98.381 16.462 2.188 1.00 0.00 H new ATOM 0 HB3 ARG A 250 98.223 15.736 0.601 1.00 0.00 H new ATOM 0 HG2 ARG A 250 100.093 14.268 0.985 1.00 0.00 H new ATOM 0 HG3 ARG A 250 100.561 15.132 2.436 1.00 0.00 H new ATOM 0 HD2 ARG A 250 98.418 14.475 3.517 1.00 0.00 H new ATOM 0 HD3 ARG A 250 97.953 13.608 2.066 1.00 0.00 H new ATOM 0 HE ARG A 250 100.482 12.598 2.872 1.00 0.00 H new ATOM 0 HH11 ARG A 250 97.147 12.762 4.013 1.00 0.00 H new ATOM 0 HH12 ARG A 250 97.258 11.252 4.922 1.00 0.00 H new ATOM 0 HH21 ARG A 250 100.619 10.653 4.045 1.00 0.00 H new ATOM 0 HH22 ARG A 250 99.214 10.063 4.940 1.00 0.00 H new ATOM 2161 N HIS A 251 101.973 17.348 1.895 1.00 0.00 N ATOM 2162 CA HIS A 251 102.918 17.870 2.877 1.00 0.00 C ATOM 2163 C HIS A 251 103.698 19.034 2.272 1.00 0.00 C ATOM 2164 O HIS A 251 103.838 20.090 2.889 1.00 0.00 O ATOM 2165 CB HIS A 251 103.875 16.771 3.339 1.00 0.00 C ATOM 2166 CG HIS A 251 103.185 15.602 3.970 1.00 0.00 C ATOM 2167 ND1 HIS A 251 103.785 14.371 4.125 1.00 0.00 N ATOM 2168 CD2 HIS A 251 101.941 15.481 4.492 1.00 0.00 C ATOM 2169 CE1 HIS A 251 102.940 13.541 4.709 1.00 0.00 C ATOM 2170 NE2 HIS A 251 101.815 14.190 4.945 1.00 0.00 N ATOM 0 H HIS A 251 102.372 16.670 1.246 1.00 0.00 H new ATOM 0 HA HIS A 251 102.364 18.225 3.746 1.00 0.00 H new ATOM 0 HB2 HIS A 251 104.454 16.422 2.484 1.00 0.00 H new ATOM 0 HB3 HIS A 251 104.583 17.193 4.053 1.00 0.00 H new ATOM 0 HD1 HIS A 251 104.734 14.137 3.834 1.00 0.00 H new ATOM 0 HD2 HIS A 251 101.189 16.254 4.543 1.00 0.00 H new ATOM 0 HE1 HIS A 251 103.136 12.507 4.952 1.00 0.00 H new ATOM 2179 N THR A 252 104.193 18.832 1.056 1.00 0.00 N ATOM 2180 CA THR A 252 104.948 19.865 0.355 1.00 0.00 C ATOM 2181 C THR A 252 104.219 21.206 0.446 1.00 0.00 C ATOM 2182 O THR A 252 103.001 21.264 0.283 1.00 0.00 O ATOM 2183 CB THR A 252 105.144 19.467 -1.112 1.00 0.00 C ATOM 2184 OG1 THR A 252 105.826 18.229 -1.207 1.00 0.00 O ATOM 2185 CG2 THR A 252 105.929 20.480 -1.920 1.00 0.00 C ATOM 0 H THR A 252 104.085 17.962 0.535 1.00 0.00 H new ATOM 0 HA THR A 252 105.926 19.967 0.826 1.00 0.00 H new ATOM 0 HB THR A 252 104.137 19.404 -1.524 1.00 0.00 H new ATOM 0 HG1 THR A 252 105.177 17.495 -1.187 1.00 0.00 H new ATOM 0 HG21 THR A 252 106.027 20.129 -2.947 1.00 0.00 H new ATOM 0 HG22 THR A 252 105.406 21.436 -1.911 1.00 0.00 H new ATOM 0 HG23 THR A 252 106.920 20.604 -1.483 1.00 0.00 H new ATOM 2193 N PRO A 253 104.947 22.308 0.714 1.00 0.00 N ATOM 2194 CA PRO A 253 104.339 23.638 0.828 1.00 0.00 C ATOM 2195 C PRO A 253 103.863 24.174 -0.520 1.00 0.00 C ATOM 2196 O PRO A 253 104.700 24.725 -1.265 1.00 0.00 O ATOM 2197 CB PRO A 253 105.476 24.501 1.385 1.00 0.00 C ATOM 2198 CG PRO A 253 106.720 23.821 0.931 1.00 0.00 C ATOM 2199 CD PRO A 253 106.407 22.348 0.932 1.00 0.00 C ATOM 2200 OXT PRO A 253 102.658 24.037 -0.817 1.00 0.00 O ATOM 0 HA PRO A 253 103.449 23.630 1.457 1.00 0.00 H new ATOM 0 HB2 PRO A 253 105.421 25.522 1.006 1.00 0.00 H new ATOM 0 HB3 PRO A 253 105.432 24.562 2.472 1.00 0.00 H new ATOM 0 HG2 PRO A 253 107.009 24.159 -0.064 1.00 0.00 H new ATOM 0 HG3 PRO A 253 107.553 24.044 1.598 1.00 0.00 H new ATOM 0 HD2 PRO A 253 106.946 21.822 0.143 1.00 0.00 H new ATOM 0 HD3 PRO A 253 106.685 21.879 1.876 1.00 0.00 H new TER 2208 PRO A 253 ATOM 2209 CA SER B 501 119.987 5.408 -0.221 1.00 0.00 C ATOM 2210 C SER B 501 120.333 4.251 0.583 1.00 0.00 C ATOM 2211 CB SER B 501 120.692 6.570 -0.104 1.00 0.00 C HETATM 2213 N BB9 B 502 120.475 2.962 0.177 1.00 0.00 N HETATM 2214 CA BB9 B 502 120.934 2.129 1.209 1.00 0.00 C HETATM 2215 C BB9 B 502 121.093 0.723 1.005 1.00 0.00 C HETATM 2216 O BB9 B 502 121.508 -0.009 1.898 1.00 0.00 O HETATM 2217 CB BB9 B 502 121.129 2.788 2.370 1.00 0.00 C HETATM 2218 SG BB9 B 502 120.743 4.421 2.187 1.00 0.00 S HETATM 0 HN1 BB9 B 502 120.249 2.566 -0.736 1.00 0.00 H new HETATM 0 HB BB9 B 502 121.485 2.331 3.294 1.00 0.00 H new ATOM 2220 N VAL B 503 120.739 0.289 -0.204 1.00 0.00 N ATOM 2221 CA VAL B 503 120.789 -1.108 -0.631 1.00 0.00 C ATOM 2222 C VAL B 503 120.408 -1.167 -2.110 1.00 0.00 C ATOM 2223 O VAL B 503 119.942 -0.168 -2.659 1.00 0.00 O ATOM 2224 CB VAL B 503 119.818 -2.015 0.176 1.00 0.00 C ATOM 2225 CG1 VAL B 503 119.901 -3.456 -0.310 1.00 0.00 C ATOM 2226 CG2 VAL B 503 120.096 -1.968 1.673 1.00 0.00 C ATOM 0 H VAL B 503 120.400 0.917 -0.933 1.00 0.00 H new ATOM 0 HA VAL B 503 121.799 -1.479 -0.457 1.00 0.00 H new ATOM 0 HB VAL B 503 118.813 -1.628 0.007 1.00 0.00 H new ATOM 0 HG11 VAL B 503 119.214 -4.075 0.267 1.00 0.00 H new ATOM 0 HG12 VAL B 503 119.630 -3.500 -1.365 1.00 0.00 H new ATOM 0 HG13 VAL B 503 120.918 -3.826 -0.181 1.00 0.00 H new ATOM 0 HG21 VAL B 503 119.393 -2.617 2.194 1.00 0.00 H new ATOM 0 HG22 VAL B 503 121.114 -2.308 1.865 1.00 0.00 H new ATOM 0 HG23 VAL B 503 119.981 -0.945 2.033 1.00 0.00 H new ATOM 2236 N GLY B 504 120.609 -2.308 -2.766 1.00 0.00 N ATOM 2237 CA GLY B 504 120.278 -2.403 -4.180 1.00 0.00 C ATOM 2238 C GLY B 504 119.388 -3.502 -4.487 1.00 0.00 C ATOM 0 H GLY B 504 120.990 -3.158 -2.351 1.00 0.00 H new ATOM 0 HA2 GLY B 504 119.816 -1.470 -4.501 1.00 0.00 H new ATOM 0 HA3 GLY B 504 121.197 -2.518 -4.754 1.00 0.00 H new HETATM 2242 N MOZ B 505 118.137 -3.517 -3.973 1.00 0.00 N HETATM 2243 OG MOZ B 505 119.581 -4.637 -5.225 1.00 0.00 O HETATM 2244 CA MOZ B 505 117.541 -4.720 -4.409 1.00 0.00 C HETATM 2245 CB MOZ B 505 118.399 -5.403 -5.170 1.00 0.00 C HETATM 2246 C MOZ B 505 116.126 -4.965 -3.894 1.00 0.00 C HETATM 2247 O MOZ B 505 115.545 -6.006 -4.204 1.00 0.00 O HETATM 2248 C6 MOZ B 505 118.293 -6.707 -5.899 1.00 0.00 C ATOM 2252 N ALA B 506 115.591 -4.005 -3.151 1.00 0.00 N ATOM 2253 CA ALA B 506 114.247 -4.072 -2.579 1.00 0.00 C ATOM 2254 C ALA B 506 113.795 -2.819 -1.796 1.00 0.00 C ATOM 2255 CB ALA B 506 114.146 -5.292 -1.675 1.00 0.00 C ATOM 0 H ALA B 506 116.085 -3.142 -2.923 1.00 0.00 H new ATOM 0 HA ALA B 506 113.573 -4.138 -3.433 1.00 0.00 H new ATOM 0 HB1 ALA B 506 113.145 -5.345 -1.246 1.00 0.00 H new ATOM 0 HB2 ALA B 506 114.340 -6.193 -2.257 1.00 0.00 H new ATOM 0 HB3 ALA B 506 114.880 -5.213 -0.873 1.00 0.00 H new HETATM 2261 N BB9 B 507 114.555 -1.801 -1.271 1.00 0.00 N HETATM 2262 CA BB9 B 507 113.757 -0.819 -0.613 1.00 0.00 C HETATM 2263 C BB9 B 507 114.224 0.382 0.049 1.00 0.00 C HETATM 2264 O BB9 B 507 113.424 1.158 0.570 1.00 0.00 O HETATM 2265 CB BB9 B 507 112.440 -1.135 -0.665 1.00 0.00 C HETATM 2266 SG BB9 B 507 112.175 -2.582 -1.492 1.00 0.00 S HETATM 0 HN1 BB9 B 507 115.569 -1.693 -1.308 1.00 0.00 H new HETATM 0 HB BB9 B 507 111.648 -0.528 -0.226 1.00 0.00 H new ATOM 2268 N ALA B 508 115.540 0.601 0.089 1.00 0.00 N ATOM 2269 CA ALA B 508 116.109 1.776 0.738 1.00 0.00 C ATOM 2270 C ALA B 508 116.850 2.669 -0.245 1.00 0.00 C ATOM 2271 CB ALA B 508 117.034 1.376 1.882 1.00 0.00 C ATOM 0 H ALA B 508 116.231 -0.025 -0.323 1.00 0.00 H new ATOM 0 HA ALA B 508 115.274 2.347 1.143 1.00 0.00 H new ATOM 0 HB1 ALA B 508 117.444 2.272 2.348 1.00 0.00 H new ATOM 0 HB2 ALA B 508 116.472 0.807 2.622 1.00 0.00 H new ATOM 0 HB3 ALA B 508 117.848 0.763 1.495 1.00 0.00 H new HETATM 2277 N MOZ B 509 117.805 3.555 0.039 1.00 0.00 N HETATM 2278 OG MOZ B 509 116.546 2.689 -1.584 1.00 0.00 O HETATM 2279 CA MOZ B 509 118.109 4.169 -1.174 1.00 0.00 C HETATM 2280 CB MOZ B 509 117.383 3.676 -2.156 1.00 0.00 C HETATM 2281 C MOZ B 509 119.056 5.314 -1.211 1.00 0.00 C HETATM 2282 C6 MOZ B 509 117.364 4.059 -3.598 1.00 0.00 C HETATM 2286 CAF NAK B 510 119.170 8.514 -2.929 1.00 0.00 C HETATM 2287 OAD NAK B 510 119.640 9.636 -2.751 1.00 0.00 O HETATM 2288 CAG NAK B 510 119.587 7.447 -1.963 1.00 0.00 C HETATM 2289 CAE NAK B 510 120.508 7.619 -0.970 1.00 0.00 C HETATM 2290 NAB NAK B 510 118.863 6.314 -2.095 1.00 0.00 N HETATM 0 HAE3 NAK B 510 121.466 7.902 -1.407 1.00 0.00 H new HETATM 0 HAE2 NAK B 510 120.171 8.405 -0.294 1.00 0.00 H new HETATM 0 HAB1 NAK B 510 118.126 6.259 -2.798 1.00 0.00 H new ATOM 2292 N ALA B 511 119.261 8.013 -4.146 1.00 0.00 N ATOM 2293 CA ALA B 511 118.881 8.752 -5.361 1.00 0.00 C ATOM 2294 C ALA B 511 120.020 9.621 -5.895 1.00 0.00 C ATOM 2295 O ALA B 511 120.087 9.904 -7.091 1.00 0.00 O ATOM 2296 CB ALA B 511 117.623 9.610 -5.109 1.00 0.00 C ATOM 0 HA ALA B 511 118.656 8.008 -6.125 1.00 0.00 H new ATOM 0 HB1 ALA B 511 117.360 10.147 -6.020 1.00 0.00 H new ATOM 0 HB2 ALA B 511 116.795 8.964 -4.817 1.00 0.00 H new ATOM 0 HB3 ALA B 511 117.824 10.325 -4.311 1.00 0.00 H new HETATM 2301 N NH2 B 512 120.914 10.043 -5.017 1.00 0.00 N TER 2304 NH2 B 512