USER MOD reduce.3.24.130724 H: found=0, std=0, add=1088, rem=0, adj=29 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= -4.32! C(o=-23!,f=-34!) USER MOD Set 1.2: A 251 HIS : no HD1:sc= -18.5! C(o=-23!,f=-39!) USER MOD Set 2.1: A 203 ASN : amide:sc= -14.1! C(o=-17!,f=-8.3!) USER MOD Set 2.2: A 204 HIS : no HD1:sc= -2.87! C(o=-17!,f=-8.8!) USER MOD Set 3.1: A 196 HIS : no HD1:sc= -1.46 X(o=-11,f=-11) USER MOD Set 3.2: A 212 HIS : no HD1:sc= -9.27! C(o=-11!,f=-18!) USER MOD Set 4.1: A 151 LYS NZ :NH3+ 139:sc= -3.27! (180deg=-5.99!) USER MOD Set 4.2: A 155 TYR OH : rot 180:sc= -0.341 USER MOD Single : A 113 ASN : amide:sc= -2.22! K(o=-2.2!,f=-0.35) USER MOD Single : A 115 THR OG1 : rot -145:sc= -2.08 USER MOD Single : A 119 LYS NZ :NH3+ 171:sc= -1.58 (180deg=-1.82) USER MOD Single : A 130 GLN : amide:sc= -2.76! C(o=-2.8!,f=-2!) USER MOD Single : A 131 TYR OH : rot 136:sc= 0.756 USER MOD Single : A 141 ASN : amide:sc= -0.523 X(o=-0.52,f=-0.52) USER MOD Single : A 142 THR OG1 : rot -140:sc= -5.36! USER MOD Single : A 145 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 GLN : amide:sc= -8.61! K(o=-8.6!,f=-1.4) USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot 89:sc= -0.536 USER MOD Single : A 154 SER OG : rot -19:sc= 1.23 USER MOD Single : A 156 THR OG1 : rot -177:sc= -2.1! USER MOD Single : A 157 LYS NZ :NH3+ -105:sc= -4.73! (180deg=-10.1!) USER MOD Single : A 161 GLN : amide:sc= -0.0834 X(o=-0.083,f=-0.027) USER MOD Single : A 164 GLN : amide:sc= -2.71! C(o=-2.7!,f=-3!) USER MOD Single : A 171 THR OG1 : rot 30:sc= 0.237 USER MOD Single : A 178 MET CE :methyl 160:sc= -2.53! (180deg=-3.63) USER MOD Single : A 186 SER OG : rot 180:sc= -0.0762 USER MOD Single : A 190 MET CE :methyl 156:sc= -0.574 (180deg=-1.64!) USER MOD Single : A 198 GLN : amide:sc= -8.49! C(o=-8.5!,f=-12!) USER MOD Single : A 205 TYR OH : rot 169:sc= -10.5! USER MOD Single : A 207 CYS SG : rot -49:sc= -6.13! USER MOD Single : A 209 TYR OH : rot 180:sc= 0 USER MOD Single : A 211 MET CE :methyl -166:sc= -2.06 (180deg=-2.46) USER MOD Single : A 213 THR OG1 : rot -56:sc= 0.751 USER MOD Single : A 218 MET CE :methyl -126:sc= 0 (180deg=-2.55) USER MOD Single : A 219 TYR OH : rot 21:sc= -2.19 USER MOD Single : A 221 SER OG : rot 92:sc= 0.605 USER MOD Single : A 226 THR OG1 : rot 180:sc= 0.0224 USER MOD Single : A 228 ASN : amide:sc= -0.716 K(o=-0.72,f=-3!) USER MOD Single : A 233 LYS NZ :NH3+ -168:sc= -6.49! (180deg=-6.89!) USER MOD Single : A 239 TYR OH : rot 37:sc= 0.757 USER MOD Single : A 240 MET CE :methyl -157:sc= -0.207 (180deg=-0.876) USER MOD Single : A 252 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 111 127.308 -2.146 8.004 1.00 0.00 N ATOM 2 CA GLY A 111 126.532 -2.848 6.946 1.00 0.00 C ATOM 3 C GLY A 111 126.104 -4.240 7.366 1.00 0.00 C ATOM 4 O GLY A 111 126.467 -4.710 8.445 1.00 0.00 O ATOM 0 HA2 GLY A 111 125.649 -2.260 6.697 1.00 0.00 H new ATOM 0 HA3 GLY A 111 127.136 -2.915 6.041 1.00 0.00 H new ATOM 8 N ILE A 112 125.333 -4.901 6.507 1.00 0.00 N ATOM 9 CA ILE A 112 124.852 -6.250 6.782 1.00 0.00 C ATOM 10 C ILE A 112 125.877 -7.076 7.543 1.00 0.00 C ATOM 11 O ILE A 112 125.671 -7.403 8.712 1.00 0.00 O ATOM 12 CB ILE A 112 124.478 -6.982 5.480 1.00 0.00 C ATOM 13 CG1 ILE A 112 123.355 -6.236 4.775 1.00 0.00 C ATOM 14 CG2 ILE A 112 124.070 -8.420 5.762 1.00 0.00 C ATOM 15 CD1 ILE A 112 122.947 -6.858 3.462 1.00 0.00 C ATOM 0 H ILE A 112 125.027 -4.522 5.611 1.00 0.00 H new ATOM 0 HA ILE A 112 123.964 -6.141 7.405 1.00 0.00 H new ATOM 0 HB ILE A 112 125.353 -7.005 4.830 1.00 0.00 H new ATOM 0 HG12 ILE A 112 122.487 -6.196 5.434 1.00 0.00 H new ATOM 0 HG13 ILE A 112 123.669 -5.207 4.598 1.00 0.00 H new ATOM 0 HG21 ILE A 112 123.811 -8.915 4.826 1.00 0.00 H new ATOM 0 HG22 ILE A 112 124.899 -8.948 6.234 1.00 0.00 H new ATOM 0 HG23 ILE A 112 123.208 -8.429 6.428 1.00 0.00 H new ATOM 0 HD11 ILE A 112 122.142 -6.273 3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 112 123.802 -6.873 2.786 1.00 0.00 H new ATOM 0 HD13 ILE A 112 122.602 -7.878 3.634 1.00 0.00 H new ATOM 27 N ASN A 113 126.966 -7.432 6.885 1.00 0.00 N ATOM 28 CA ASN A 113 127.987 -8.243 7.526 1.00 0.00 C ATOM 29 C ASN A 113 127.327 -9.434 8.215 1.00 0.00 C ATOM 30 O ASN A 113 127.462 -9.627 9.424 1.00 0.00 O ATOM 31 CB ASN A 113 128.775 -7.409 8.538 1.00 0.00 C ATOM 32 CG ASN A 113 129.912 -8.185 9.175 1.00 0.00 C ATOM 33 OD1 ASN A 113 129.697 -9.206 9.827 1.00 0.00 O ATOM 34 ND2 ASN A 113 131.135 -7.702 8.987 1.00 0.00 N ATOM 0 H ASN A 113 127.166 -7.176 5.918 1.00 0.00 H new ATOM 0 HA ASN A 113 128.684 -8.606 6.771 1.00 0.00 H new ATOM 0 HB2 ASN A 113 129.177 -6.526 8.041 1.00 0.00 H new ATOM 0 HB3 ASN A 113 128.099 -7.057 9.317 1.00 0.00 H new ATOM 0 HD21 ASN A 113 131.940 -8.181 9.390 1.00 0.00 H new ATOM 0 HD22 ASN A 113 131.269 -6.852 8.439 1.00 0.00 H new ATOM 41 N LEU A 114 126.608 -10.229 7.425 1.00 0.00 N ATOM 42 CA LEU A 114 125.912 -11.413 7.926 1.00 0.00 C ATOM 43 C LEU A 114 126.376 -12.659 7.174 1.00 0.00 C ATOM 44 O LEU A 114 127.074 -12.566 6.164 1.00 0.00 O ATOM 45 CB LEU A 114 124.402 -11.253 7.745 1.00 0.00 C ATOM 46 CG LEU A 114 123.736 -10.162 8.582 1.00 0.00 C ATOM 47 CD1 LEU A 114 122.258 -10.042 8.218 1.00 0.00 C ATOM 48 CD2 LEU A 114 123.896 -10.458 10.063 1.00 0.00 C ATOM 0 H LEU A 114 126.492 -10.072 6.424 1.00 0.00 H new ATOM 0 HA LEU A 114 126.143 -11.523 8.986 1.00 0.00 H new ATOM 0 HB2 LEU A 114 124.202 -11.048 6.693 1.00 0.00 H new ATOM 0 HB3 LEU A 114 123.926 -12.205 7.980 1.00 0.00 H new ATOM 0 HG LEU A 114 124.224 -9.212 8.366 1.00 0.00 H new ATOM 0 HD11 LEU A 114 121.797 -9.261 8.822 1.00 0.00 H new ATOM 0 HD12 LEU A 114 122.163 -9.788 7.162 1.00 0.00 H new ATOM 0 HD13 LEU A 114 121.758 -10.991 8.409 1.00 0.00 H new ATOM 0 HD21 LEU A 114 123.416 -9.671 10.645 1.00 0.00 H new ATOM 0 HD22 LEU A 114 123.431 -11.416 10.295 1.00 0.00 H new ATOM 0 HD23 LEU A 114 124.956 -10.499 10.313 1.00 0.00 H new ATOM 60 N THR A 115 125.976 -13.824 7.675 1.00 0.00 N ATOM 61 CA THR A 115 126.337 -15.098 7.059 1.00 0.00 C ATOM 62 C THR A 115 125.313 -15.493 5.996 1.00 0.00 C ATOM 63 O THR A 115 124.139 -15.148 6.110 1.00 0.00 O ATOM 64 CB THR A 115 126.401 -16.190 8.124 1.00 0.00 C ATOM 65 OG1 THR A 115 125.184 -16.259 8.842 1.00 0.00 O ATOM 66 CG2 THR A 115 127.512 -15.998 9.129 1.00 0.00 C ATOM 0 H THR A 115 125.398 -13.913 8.511 1.00 0.00 H new ATOM 0 HA THR A 115 127.313 -14.985 6.587 1.00 0.00 H new ATOM 0 HB THR A 115 126.594 -17.110 7.573 1.00 0.00 H new ATOM 0 HG1 THR A 115 125.368 -16.490 9.777 1.00 0.00 H new ATOM 0 HG21 THR A 115 127.493 -16.813 9.853 1.00 0.00 H new ATOM 0 HG22 THR A 115 128.472 -15.993 8.613 1.00 0.00 H new ATOM 0 HG23 THR A 115 127.374 -15.049 9.647 1.00 0.00 H new ATOM 74 N PRO A 116 125.727 -16.239 4.953 1.00 0.00 N ATOM 75 CA PRO A 116 124.804 -16.676 3.902 1.00 0.00 C ATOM 76 C PRO A 116 123.531 -17.272 4.493 1.00 0.00 C ATOM 77 O PRO A 116 122.435 -17.068 3.971 1.00 0.00 O ATOM 78 CB PRO A 116 125.606 -17.735 3.140 1.00 0.00 C ATOM 79 CG PRO A 116 127.031 -17.352 3.352 1.00 0.00 C ATOM 80 CD PRO A 116 127.102 -16.725 4.723 1.00 0.00 C ATOM 0 HA PRO A 116 124.471 -15.855 3.267 1.00 0.00 H new ATOM 0 HB2 PRO A 116 125.404 -18.736 3.521 1.00 0.00 H new ATOM 0 HB3 PRO A 116 125.350 -17.740 2.080 1.00 0.00 H new ATOM 0 HG2 PRO A 116 127.681 -18.224 3.289 1.00 0.00 H new ATOM 0 HG3 PRO A 116 127.363 -16.651 2.586 1.00 0.00 H new ATOM 0 HD2 PRO A 116 127.403 -17.449 5.480 1.00 0.00 H new ATOM 0 HD3 PRO A 116 127.826 -15.911 4.755 1.00 0.00 H new ATOM 88 N GLU A 117 123.687 -17.994 5.596 1.00 0.00 N ATOM 89 CA GLU A 117 122.558 -18.604 6.278 1.00 0.00 C ATOM 90 C GLU A 117 121.719 -17.539 6.974 1.00 0.00 C ATOM 91 O GLU A 117 120.494 -17.592 6.945 1.00 0.00 O ATOM 92 CB GLU A 117 123.027 -19.659 7.288 1.00 0.00 C ATOM 93 CG GLU A 117 124.188 -19.214 8.166 1.00 0.00 C ATOM 94 CD GLU A 117 125.540 -19.468 7.525 1.00 0.00 C ATOM 95 OE1 GLU A 117 125.781 -18.956 6.411 1.00 0.00 O ATOM 96 OE2 GLU A 117 126.361 -20.179 8.139 1.00 0.00 O ATOM 0 H GLU A 117 124.590 -18.170 6.037 1.00 0.00 H new ATOM 0 HA GLU A 117 121.942 -19.103 5.530 1.00 0.00 H new ATOM 0 HB2 GLU A 117 122.187 -19.932 7.927 1.00 0.00 H new ATOM 0 HB3 GLU A 117 123.320 -20.558 6.746 1.00 0.00 H new ATOM 0 HG2 GLU A 117 124.087 -18.150 8.382 1.00 0.00 H new ATOM 0 HG3 GLU A 117 124.139 -19.739 9.120 1.00 0.00 H new ATOM 103 N GLU A 118 122.386 -16.557 7.574 1.00 0.00 N ATOM 104 CA GLU A 118 121.689 -15.467 8.250 1.00 0.00 C ATOM 105 C GLU A 118 120.959 -14.610 7.228 1.00 0.00 C ATOM 106 O GLU A 118 119.763 -14.347 7.348 1.00 0.00 O ATOM 107 CB GLU A 118 122.684 -14.612 9.046 1.00 0.00 C ATOM 108 CG GLU A 118 123.099 -15.231 10.372 1.00 0.00 C ATOM 109 CD GLU A 118 124.383 -14.638 10.926 1.00 0.00 C ATOM 110 OE1 GLU A 118 124.431 -13.410 11.140 1.00 0.00 O ATOM 111 OE2 GLU A 118 125.343 -15.406 11.146 1.00 0.00 O ATOM 0 H GLU A 118 123.404 -16.493 7.606 1.00 0.00 H new ATOM 0 HA GLU A 118 120.962 -15.888 8.944 1.00 0.00 H new ATOM 0 HB2 GLU A 118 123.574 -14.446 8.439 1.00 0.00 H new ATOM 0 HB3 GLU A 118 122.240 -13.635 9.235 1.00 0.00 H new ATOM 0 HG2 GLU A 118 122.298 -15.092 11.098 1.00 0.00 H new ATOM 0 HG3 GLU A 118 123.228 -16.305 10.241 1.00 0.00 H new ATOM 118 N LYS A 119 121.697 -14.192 6.214 1.00 0.00 N ATOM 119 CA LYS A 119 121.158 -13.374 5.140 1.00 0.00 C ATOM 120 C LYS A 119 119.951 -14.041 4.496 1.00 0.00 C ATOM 121 O LYS A 119 119.046 -13.368 4.007 1.00 0.00 O ATOM 122 CB LYS A 119 122.250 -13.138 4.104 1.00 0.00 C ATOM 123 CG LYS A 119 123.460 -12.438 4.693 1.00 0.00 C ATOM 124 CD LYS A 119 124.723 -12.719 3.903 1.00 0.00 C ATOM 125 CE LYS A 119 124.544 -12.394 2.434 1.00 0.00 C ATOM 126 NZ LYS A 119 124.012 -11.019 2.230 1.00 0.00 N ATOM 0 H LYS A 119 122.688 -14.410 6.112 1.00 0.00 H new ATOM 0 HA LYS A 119 120.826 -12.420 5.551 1.00 0.00 H new ATOM 0 HB2 LYS A 119 122.557 -14.093 3.679 1.00 0.00 H new ATOM 0 HB3 LYS A 119 121.849 -12.539 3.286 1.00 0.00 H new ATOM 0 HG2 LYS A 119 123.280 -11.363 4.718 1.00 0.00 H new ATOM 0 HG3 LYS A 119 123.599 -12.762 5.725 1.00 0.00 H new ATOM 0 HD2 LYS A 119 125.546 -12.131 4.309 1.00 0.00 H new ATOM 0 HD3 LYS A 119 124.997 -13.768 4.014 1.00 0.00 H new ATOM 0 HE2 LYS A 119 125.501 -12.493 1.921 1.00 0.00 H new ATOM 0 HE3 LYS A 119 123.864 -13.117 1.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 124.047 -10.780 1.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 123.028 -10.975 2.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 124.589 -10.340 2.766 1.00 0.00 H new ATOM 140 N PHE A 120 119.941 -15.367 4.508 1.00 0.00 N ATOM 141 CA PHE A 120 118.834 -16.118 3.932 1.00 0.00 C ATOM 142 C PHE A 120 117.632 -16.087 4.865 1.00 0.00 C ATOM 143 O PHE A 120 116.504 -15.867 4.427 1.00 0.00 O ATOM 144 CB PHE A 120 119.258 -17.550 3.613 1.00 0.00 C ATOM 145 CG PHE A 120 118.136 -18.422 3.122 1.00 0.00 C ATOM 146 CD1 PHE A 120 117.458 -18.106 1.956 1.00 0.00 C ATOM 147 CD2 PHE A 120 117.757 -19.557 3.826 1.00 0.00 C ATOM 148 CE1 PHE A 120 116.425 -18.903 1.500 1.00 0.00 C ATOM 149 CE2 PHE A 120 116.725 -20.357 3.374 1.00 0.00 C ATOM 150 CZ PHE A 120 116.058 -20.030 2.210 1.00 0.00 C ATOM 0 H PHE A 120 120.682 -15.942 4.908 1.00 0.00 H new ATOM 0 HA PHE A 120 118.543 -15.646 2.993 1.00 0.00 H new ATOM 0 HB2 PHE A 120 120.044 -17.526 2.858 1.00 0.00 H new ATOM 0 HB3 PHE A 120 119.689 -17.999 4.508 1.00 0.00 H new ATOM 0 HD1 PHE A 120 117.740 -17.226 1.397 1.00 0.00 H new ATOM 0 HD2 PHE A 120 118.275 -19.818 4.737 1.00 0.00 H new ATOM 0 HE1 PHE A 120 115.905 -18.645 0.589 1.00 0.00 H new ATOM 0 HE2 PHE A 120 116.440 -21.238 3.931 1.00 0.00 H new ATOM 0 HZ PHE A 120 115.251 -20.654 1.855 1.00 0.00 H new ATOM 160 N GLU A 121 117.872 -16.275 6.148 1.00 0.00 N ATOM 161 CA GLU A 121 116.799 -16.230 7.124 1.00 0.00 C ATOM 162 C GLU A 121 116.303 -14.801 7.288 1.00 0.00 C ATOM 163 O GLU A 121 115.206 -14.569 7.796 1.00 0.00 O ATOM 164 CB GLU A 121 117.261 -16.782 8.472 1.00 0.00 C ATOM 165 CG GLU A 121 117.800 -18.198 8.389 1.00 0.00 C ATOM 166 CD GLU A 121 117.870 -18.877 9.743 1.00 0.00 C ATOM 167 OE1 GLU A 121 118.581 -18.361 10.630 1.00 0.00 O ATOM 168 OE2 GLU A 121 117.213 -19.925 9.915 1.00 0.00 O ATOM 0 H GLU A 121 118.796 -16.460 6.538 1.00 0.00 H new ATOM 0 HA GLU A 121 115.982 -16.854 6.762 1.00 0.00 H new ATOM 0 HB2 GLU A 121 118.034 -16.130 8.878 1.00 0.00 H new ATOM 0 HB3 GLU A 121 116.425 -16.759 9.172 1.00 0.00 H new ATOM 0 HG2 GLU A 121 117.166 -18.785 7.725 1.00 0.00 H new ATOM 0 HG3 GLU A 121 118.795 -18.178 7.945 1.00 0.00 H new ATOM 175 N VAL A 122 117.134 -13.839 6.881 1.00 0.00 N ATOM 176 CA VAL A 122 116.791 -12.428 7.015 1.00 0.00 C ATOM 177 C VAL A 122 116.359 -11.781 5.697 1.00 0.00 C ATOM 178 O VAL A 122 115.231 -11.312 5.575 1.00 0.00 O ATOM 179 CB VAL A 122 117.978 -11.651 7.601 1.00 0.00 C ATOM 180 CG1 VAL A 122 117.646 -10.171 7.729 1.00 0.00 C ATOM 181 CG2 VAL A 122 118.347 -12.250 8.945 1.00 0.00 C ATOM 0 H VAL A 122 118.045 -14.014 6.458 1.00 0.00 H new ATOM 0 HA VAL A 122 115.935 -12.382 7.688 1.00 0.00 H new ATOM 0 HB VAL A 122 118.832 -11.732 6.929 1.00 0.00 H new ATOM 0 HG11 VAL A 122 118.502 -9.641 8.146 1.00 0.00 H new ATOM 0 HG12 VAL A 122 117.412 -9.764 6.745 1.00 0.00 H new ATOM 0 HG13 VAL A 122 116.786 -10.047 8.387 1.00 0.00 H new ATOM 0 HG21 VAL A 122 119.190 -11.703 9.368 1.00 0.00 H new ATOM 0 HG22 VAL A 122 117.494 -12.181 9.620 1.00 0.00 H new ATOM 0 HG23 VAL A 122 118.622 -13.296 8.814 1.00 0.00 H new ATOM 191 N PHE A 123 117.264 -11.742 4.716 1.00 0.00 N ATOM 192 CA PHE A 123 116.957 -11.130 3.418 1.00 0.00 C ATOM 193 C PHE A 123 116.432 -12.155 2.414 1.00 0.00 C ATOM 194 O PHE A 123 115.663 -11.813 1.515 1.00 0.00 O ATOM 195 CB PHE A 123 118.193 -10.450 2.820 1.00 0.00 C ATOM 196 CG PHE A 123 118.753 -9.325 3.647 1.00 0.00 C ATOM 197 CD1 PHE A 123 119.492 -9.586 4.788 1.00 0.00 C ATOM 198 CD2 PHE A 123 118.545 -8.004 3.277 1.00 0.00 C ATOM 199 CE1 PHE A 123 120.015 -8.554 5.545 1.00 0.00 C ATOM 200 CE2 PHE A 123 119.064 -6.969 4.031 1.00 0.00 C ATOM 201 CZ PHE A 123 119.800 -7.244 5.165 1.00 0.00 C ATOM 0 H PHE A 123 118.207 -12.123 4.793 1.00 0.00 H new ATOM 0 HA PHE A 123 116.182 -10.387 3.606 1.00 0.00 H new ATOM 0 HB2 PHE A 123 118.971 -11.200 2.678 1.00 0.00 H new ATOM 0 HB3 PHE A 123 117.937 -10.065 1.833 1.00 0.00 H new ATOM 0 HD1 PHE A 123 119.662 -10.609 5.091 1.00 0.00 H new ATOM 0 HD2 PHE A 123 117.971 -7.782 2.390 1.00 0.00 H new ATOM 0 HE1 PHE A 123 120.591 -8.772 6.432 1.00 0.00 H new ATOM 0 HE2 PHE A 123 118.894 -5.945 3.733 1.00 0.00 H new ATOM 0 HZ PHE A 123 120.207 -6.436 5.755 1.00 0.00 H new ATOM 211 N GLY A 124 116.856 -13.406 2.560 1.00 0.00 N ATOM 212 CA GLY A 124 116.422 -14.449 1.644 1.00 0.00 C ATOM 213 C GLY A 124 117.471 -14.769 0.594 1.00 0.00 C ATOM 214 O GLY A 124 118.664 -14.818 0.894 1.00 0.00 O ATOM 0 H GLY A 124 117.491 -13.718 3.295 1.00 0.00 H new ATOM 0 HA2 GLY A 124 116.190 -15.352 2.209 1.00 0.00 H new ATOM 0 HA3 GLY A 124 115.502 -14.136 1.151 1.00 0.00 H new ATOM 218 N ASP A 125 117.029 -14.989 -0.641 1.00 0.00 N ATOM 219 CA ASP A 125 117.942 -15.308 -1.737 1.00 0.00 C ATOM 220 C ASP A 125 118.412 -14.040 -2.442 1.00 0.00 C ATOM 221 O ASP A 125 118.216 -13.881 -3.647 1.00 0.00 O ATOM 222 CB ASP A 125 117.245 -16.229 -2.741 1.00 0.00 C ATOM 223 CG ASP A 125 118.186 -16.742 -3.814 1.00 0.00 C ATOM 224 OD1 ASP A 125 118.750 -15.914 -4.558 1.00 0.00 O ATOM 225 OD2 ASP A 125 118.361 -17.976 -3.909 1.00 0.00 O ATOM 0 H ASP A 125 116.045 -14.953 -0.909 1.00 0.00 H new ATOM 0 HA ASP A 125 118.813 -15.814 -1.321 1.00 0.00 H new ATOM 0 HB2 ASP A 125 116.810 -17.076 -2.210 1.00 0.00 H new ATOM 0 HB3 ASP A 125 116.422 -15.691 -3.212 1.00 0.00 H new ATOM 230 N PHE A 126 119.014 -13.126 -1.684 1.00 0.00 N ATOM 231 CA PHE A 126 119.491 -11.857 -2.236 1.00 0.00 C ATOM 232 C PHE A 126 120.979 -11.664 -1.927 1.00 0.00 C ATOM 233 O PHE A 126 121.337 -11.195 -0.847 1.00 0.00 O ATOM 234 CB PHE A 126 118.676 -10.709 -1.630 1.00 0.00 C ATOM 235 CG PHE A 126 118.508 -9.509 -2.528 1.00 0.00 C ATOM 236 CD1 PHE A 126 119.593 -8.946 -3.183 1.00 0.00 C ATOM 237 CD2 PHE A 126 117.254 -8.940 -2.709 1.00 0.00 C ATOM 238 CE1 PHE A 126 119.429 -7.840 -3.998 1.00 0.00 C ATOM 239 CE2 PHE A 126 117.087 -7.835 -3.520 1.00 0.00 C ATOM 240 CZ PHE A 126 118.175 -7.284 -4.165 1.00 0.00 C ATOM 0 H PHE A 126 119.184 -13.239 -0.685 1.00 0.00 H new ATOM 0 HA PHE A 126 119.365 -11.866 -3.319 1.00 0.00 H new ATOM 0 HB2 PHE A 126 117.689 -11.085 -1.362 1.00 0.00 H new ATOM 0 HB3 PHE A 126 119.157 -10.389 -0.706 1.00 0.00 H new ATOM 0 HD1 PHE A 126 120.576 -9.375 -3.056 1.00 0.00 H new ATOM 0 HD2 PHE A 126 116.398 -9.368 -2.209 1.00 0.00 H new ATOM 0 HE1 PHE A 126 120.281 -7.411 -4.504 1.00 0.00 H new ATOM 0 HE2 PHE A 126 116.106 -7.403 -3.649 1.00 0.00 H new ATOM 0 HZ PHE A 126 118.047 -6.419 -4.799 1.00 0.00 H new ATOM 250 N ASP A 127 121.842 -12.025 -2.874 1.00 0.00 N ATOM 251 CA ASP A 127 123.281 -11.883 -2.685 1.00 0.00 C ATOM 252 C ASP A 127 123.612 -10.511 -2.095 1.00 0.00 C ATOM 253 O ASP A 127 122.923 -9.534 -2.371 1.00 0.00 O ATOM 254 CB ASP A 127 124.005 -12.084 -4.013 1.00 0.00 C ATOM 255 CG ASP A 127 123.881 -13.505 -4.528 1.00 0.00 C ATOM 256 OD1 ASP A 127 124.319 -14.434 -3.818 1.00 0.00 O ATOM 257 OD2 ASP A 127 123.347 -13.689 -5.641 1.00 0.00 O ATOM 0 H ASP A 127 121.570 -12.416 -3.776 1.00 0.00 H new ATOM 0 HA ASP A 127 123.619 -12.646 -1.983 1.00 0.00 H new ATOM 0 HB2 ASP A 127 123.599 -11.395 -4.753 1.00 0.00 H new ATOM 0 HB3 ASP A 127 125.059 -11.835 -3.891 1.00 0.00 H new ATOM 262 N PRO A 128 124.666 -10.425 -1.264 1.00 0.00 N ATOM 263 CA PRO A 128 125.070 -9.166 -0.617 1.00 0.00 C ATOM 264 C PRO A 128 125.607 -8.125 -1.597 1.00 0.00 C ATOM 265 O PRO A 128 125.243 -6.951 -1.529 1.00 0.00 O ATOM 266 CB PRO A 128 126.175 -9.602 0.354 1.00 0.00 C ATOM 267 CG PRO A 128 126.707 -10.870 -0.219 1.00 0.00 C ATOM 268 CD PRO A 128 125.537 -11.549 -0.878 1.00 0.00 C ATOM 0 HA PRO A 128 124.220 -8.678 -0.139 1.00 0.00 H new ATOM 0 HB2 PRO A 128 126.955 -8.845 0.431 1.00 0.00 H new ATOM 0 HB3 PRO A 128 125.781 -9.757 1.358 1.00 0.00 H new ATOM 0 HG2 PRO A 128 127.499 -10.670 -0.940 1.00 0.00 H new ATOM 0 HG3 PRO A 128 127.136 -11.500 0.560 1.00 0.00 H new ATOM 0 HD2 PRO A 128 125.847 -12.134 -1.744 1.00 0.00 H new ATOM 0 HD3 PRO A 128 125.032 -12.233 -0.196 1.00 0.00 H new ATOM 276 N ASP A 129 126.479 -8.558 -2.497 1.00 0.00 N ATOM 277 CA ASP A 129 127.071 -7.657 -3.478 1.00 0.00 C ATOM 278 C ASP A 129 126.010 -7.087 -4.408 1.00 0.00 C ATOM 279 O ASP A 129 126.074 -5.917 -4.784 1.00 0.00 O ATOM 280 CB ASP A 129 128.150 -8.390 -4.278 1.00 0.00 C ATOM 281 CG ASP A 129 128.852 -7.489 -5.272 1.00 0.00 C ATOM 282 OD1 ASP A 129 128.173 -6.968 -6.178 1.00 0.00 O ATOM 283 OD2 ASP A 129 130.080 -7.305 -5.143 1.00 0.00 O ATOM 0 H ASP A 129 126.792 -9.526 -2.569 1.00 0.00 H new ATOM 0 HA ASP A 129 127.530 -6.824 -2.946 1.00 0.00 H new ATOM 0 HB2 ASP A 129 128.885 -8.809 -3.591 1.00 0.00 H new ATOM 0 HB3 ASP A 129 127.697 -9.227 -4.809 1.00 0.00 H new ATOM 288 N GLN A 130 125.024 -7.903 -4.770 1.00 0.00 N ATOM 289 CA GLN A 130 123.960 -7.438 -5.643 1.00 0.00 C ATOM 290 C GLN A 130 123.418 -6.103 -5.150 1.00 0.00 C ATOM 291 O GLN A 130 122.871 -5.323 -5.927 1.00 0.00 O ATOM 292 CB GLN A 130 122.841 -8.476 -5.746 1.00 0.00 C ATOM 293 CG GLN A 130 123.119 -9.562 -6.773 1.00 0.00 C ATOM 294 CD GLN A 130 121.979 -10.555 -6.894 1.00 0.00 C ATOM 295 OE1 GLN A 130 120.841 -10.179 -7.177 1.00 0.00 O ATOM 296 NE2 GLN A 130 122.279 -11.831 -6.686 1.00 0.00 N ATOM 0 H GLN A 130 124.943 -8.876 -4.475 1.00 0.00 H new ATOM 0 HA GLN A 130 124.373 -7.296 -6.641 1.00 0.00 H new ATOM 0 HB2 GLN A 130 122.693 -8.938 -4.770 1.00 0.00 H new ATOM 0 HB3 GLN A 130 121.910 -7.972 -6.004 1.00 0.00 H new ATOM 0 HG2 GLN A 130 123.299 -9.101 -7.744 1.00 0.00 H new ATOM 0 HG3 GLN A 130 124.031 -10.093 -6.498 1.00 0.00 H new ATOM 0 HE21 GLN A 130 123.235 -12.099 -6.454 1.00 0.00 H new ATOM 0 HE22 GLN A 130 121.553 -12.544 -6.759 1.00 0.00 H new ATOM 305 N TYR A 131 123.597 -5.827 -3.860 1.00 0.00 N ATOM 306 CA TYR A 131 123.144 -4.561 -3.301 1.00 0.00 C ATOM 307 C TYR A 131 124.108 -3.459 -3.708 1.00 0.00 C ATOM 308 O TYR A 131 123.707 -2.382 -4.148 1.00 0.00 O ATOM 309 CB TYR A 131 123.135 -4.596 -1.763 1.00 0.00 C ATOM 310 CG TYR A 131 122.184 -5.581 -1.108 1.00 0.00 C ATOM 311 CD1 TYR A 131 122.180 -6.928 -1.445 1.00 0.00 C ATOM 312 CD2 TYR A 131 121.306 -5.156 -0.113 1.00 0.00 C ATOM 313 CE1 TYR A 131 121.326 -7.819 -0.813 1.00 0.00 C ATOM 314 CE2 TYR A 131 120.452 -6.039 0.515 1.00 0.00 C ATOM 315 CZ TYR A 131 120.466 -7.368 0.162 1.00 0.00 C ATOM 316 OH TYR A 131 119.618 -8.252 0.789 1.00 0.00 O ATOM 0 H TYR A 131 124.046 -6.454 -3.193 1.00 0.00 H new ATOM 0 HA TYR A 131 122.136 -4.382 -3.674 1.00 0.00 H new ATOM 0 HB2 TYR A 131 124.146 -4.821 -1.422 1.00 0.00 H new ATOM 0 HB3 TYR A 131 122.892 -3.597 -1.402 1.00 0.00 H new ATOM 0 HD1 TYR A 131 122.852 -7.287 -2.211 1.00 0.00 H new ATOM 0 HD2 TYR A 131 121.294 -4.114 0.172 1.00 0.00 H new ATOM 0 HE1 TYR A 131 121.336 -8.864 -1.085 1.00 0.00 H new ATOM 0 HE2 TYR A 131 119.776 -5.688 1.280 1.00 0.00 H new ATOM 0 HH TYR A 131 119.615 -8.075 1.753 1.00 0.00 H new ATOM 326 N GLU A 132 125.392 -3.743 -3.514 1.00 0.00 N ATOM 327 CA GLU A 132 126.454 -2.793 -3.808 1.00 0.00 C ATOM 328 C GLU A 132 126.677 -2.529 -5.301 1.00 0.00 C ATOM 329 O GLU A 132 126.476 -1.413 -5.779 1.00 0.00 O ATOM 330 CB GLU A 132 127.759 -3.254 -3.153 1.00 0.00 C ATOM 331 CG GLU A 132 129.007 -2.656 -3.778 1.00 0.00 C ATOM 332 CD GLU A 132 130.254 -2.920 -2.959 1.00 0.00 C ATOM 333 OE1 GLU A 132 130.593 -4.105 -2.759 1.00 0.00 O ATOM 334 OE2 GLU A 132 130.893 -1.942 -2.517 1.00 0.00 O ATOM 0 H GLU A 132 125.723 -4.636 -3.149 1.00 0.00 H new ATOM 0 HA GLU A 132 126.128 -1.841 -3.389 1.00 0.00 H new ATOM 0 HB2 GLU A 132 127.734 -2.994 -2.095 1.00 0.00 H new ATOM 0 HB3 GLU A 132 127.820 -4.341 -3.213 1.00 0.00 H new ATOM 0 HG2 GLU A 132 129.140 -3.067 -4.779 1.00 0.00 H new ATOM 0 HG3 GLU A 132 128.872 -1.580 -3.891 1.00 0.00 H new ATOM 341 N GLU A 133 127.145 -3.545 -6.015 1.00 0.00 N ATOM 342 CA GLU A 133 127.461 -3.407 -7.438 1.00 0.00 C ATOM 343 C GLU A 133 126.292 -2.857 -8.241 1.00 0.00 C ATOM 344 O GLU A 133 126.481 -2.331 -9.336 1.00 0.00 O ATOM 345 CB GLU A 133 127.885 -4.754 -8.024 1.00 0.00 C ATOM 346 CG GLU A 133 126.760 -5.774 -8.083 1.00 0.00 C ATOM 347 CD GLU A 133 127.216 -7.119 -8.617 1.00 0.00 C ATOM 348 OE1 GLU A 133 127.718 -7.164 -9.760 1.00 0.00 O ATOM 349 OE2 GLU A 133 127.070 -8.126 -7.894 1.00 0.00 O ATOM 0 H GLU A 133 127.316 -4.476 -5.635 1.00 0.00 H new ATOM 0 HA GLU A 133 128.282 -2.694 -7.509 1.00 0.00 H new ATOM 0 HB2 GLU A 133 128.274 -4.597 -9.030 1.00 0.00 H new ATOM 0 HB3 GLU A 133 128.701 -5.160 -7.426 1.00 0.00 H new ATOM 0 HG2 GLU A 133 126.343 -5.907 -7.085 1.00 0.00 H new ATOM 0 HG3 GLU A 133 125.959 -5.389 -8.715 1.00 0.00 H new ATOM 356 N GLU A 134 125.086 -2.984 -7.711 1.00 0.00 N ATOM 357 CA GLU A 134 123.906 -2.497 -8.410 1.00 0.00 C ATOM 358 C GLU A 134 123.738 -0.990 -8.216 1.00 0.00 C ATOM 359 O GLU A 134 123.494 -0.262 -9.175 1.00 0.00 O ATOM 360 CB GLU A 134 122.668 -3.259 -7.931 1.00 0.00 C ATOM 361 CG GLU A 134 121.400 -2.977 -8.731 1.00 0.00 C ATOM 362 CD GLU A 134 120.737 -1.661 -8.371 1.00 0.00 C ATOM 363 OE1 GLU A 134 121.324 -0.596 -8.646 1.00 0.00 O ATOM 364 OE2 GLU A 134 119.621 -1.698 -7.814 1.00 0.00 O ATOM 0 H GLU A 134 124.898 -3.416 -6.806 1.00 0.00 H new ATOM 0 HA GLU A 134 124.031 -2.675 -9.478 1.00 0.00 H new ATOM 0 HB2 GLU A 134 122.877 -4.328 -7.971 1.00 0.00 H new ATOM 0 HB3 GLU A 134 122.486 -3.009 -6.886 1.00 0.00 H new ATOM 0 HG2 GLU A 134 121.644 -2.973 -9.793 1.00 0.00 H new ATOM 0 HG3 GLU A 134 120.690 -3.788 -8.570 1.00 0.00 H new ATOM 371 N VAL A 135 123.869 -0.526 -6.973 1.00 0.00 N ATOM 372 CA VAL A 135 123.725 0.889 -6.665 1.00 0.00 C ATOM 373 C VAL A 135 124.999 1.678 -6.958 1.00 0.00 C ATOM 374 O VAL A 135 124.949 2.746 -7.569 1.00 0.00 O ATOM 375 CB VAL A 135 123.359 1.093 -5.187 1.00 0.00 C ATOM 376 CG1 VAL A 135 123.260 2.572 -4.872 1.00 0.00 C ATOM 377 CG2 VAL A 135 122.062 0.375 -4.848 1.00 0.00 C ATOM 0 H VAL A 135 124.075 -1.114 -6.165 1.00 0.00 H new ATOM 0 HA VAL A 135 122.926 1.260 -7.307 1.00 0.00 H new ATOM 0 HB VAL A 135 124.148 0.662 -4.570 1.00 0.00 H new ATOM 0 HG11 VAL A 135 123.000 2.704 -3.822 1.00 0.00 H new ATOM 0 HG12 VAL A 135 124.218 3.051 -5.072 1.00 0.00 H new ATOM 0 HG13 VAL A 135 122.490 3.026 -5.496 1.00 0.00 H new ATOM 0 HG21 VAL A 135 121.823 0.533 -3.796 1.00 0.00 H new ATOM 0 HG22 VAL A 135 121.256 0.769 -5.467 1.00 0.00 H new ATOM 0 HG23 VAL A 135 122.177 -0.692 -5.037 1.00 0.00 H new ATOM 387 N ARG A 136 126.135 1.164 -6.499 1.00 0.00 N ATOM 388 CA ARG A 136 127.413 1.837 -6.692 1.00 0.00 C ATOM 389 C ARG A 136 127.755 2.015 -8.170 1.00 0.00 C ATOM 390 O ARG A 136 128.198 3.086 -8.584 1.00 0.00 O ATOM 391 CB ARG A 136 128.519 1.058 -5.981 1.00 0.00 C ATOM 392 CG ARG A 136 129.910 1.611 -6.228 1.00 0.00 C ATOM 393 CD ARG A 136 130.953 0.843 -5.437 1.00 0.00 C ATOM 394 NE ARG A 136 130.800 1.039 -3.998 1.00 0.00 N ATOM 395 CZ ARG A 136 131.606 0.496 -3.092 1.00 0.00 C ATOM 396 NH1 ARG A 136 132.619 -0.270 -3.475 1.00 0.00 N ATOM 397 NH2 ARG A 136 131.403 0.722 -1.801 1.00 0.00 N ATOM 0 H ARG A 136 126.196 0.282 -5.990 1.00 0.00 H new ATOM 0 HA ARG A 136 127.331 2.835 -6.260 1.00 0.00 H new ATOM 0 HB2 ARG A 136 128.322 1.061 -4.909 1.00 0.00 H new ATOM 0 HB3 ARG A 136 128.487 0.019 -6.308 1.00 0.00 H new ATOM 0 HG2 ARG A 136 130.143 1.556 -7.291 1.00 0.00 H new ATOM 0 HG3 ARG A 136 129.941 2.664 -5.949 1.00 0.00 H new ATOM 0 HD2 ARG A 136 130.875 -0.219 -5.669 1.00 0.00 H new ATOM 0 HD3 ARG A 136 131.949 1.163 -5.743 1.00 0.00 H new ATOM 0 HE ARG A 136 130.032 1.625 -3.670 1.00 0.00 H new ATOM 0 HH11 ARG A 136 132.781 -0.443 -4.467 1.00 0.00 H new ATOM 0 HH12 ARG A 136 133.236 -0.686 -2.777 1.00 0.00 H new ATOM 0 HH21 ARG A 136 130.627 1.313 -1.503 1.00 0.00 H new ATOM 0 HH22 ARG A 136 132.023 0.304 -1.107 1.00 0.00 H new ATOM 411 N GLU A 137 127.565 0.965 -8.958 1.00 0.00 N ATOM 412 CA GLU A 137 127.873 1.020 -10.385 1.00 0.00 C ATOM 413 C GLU A 137 126.838 1.842 -11.148 1.00 0.00 C ATOM 414 O GLU A 137 127.168 2.516 -12.124 1.00 0.00 O ATOM 415 CB GLU A 137 127.948 -0.393 -10.967 1.00 0.00 C ATOM 416 CG GLU A 137 128.466 -0.442 -12.397 1.00 0.00 C ATOM 417 CD GLU A 137 127.550 0.261 -13.380 1.00 0.00 C ATOM 418 OE1 GLU A 137 126.376 -0.150 -13.497 1.00 0.00 O ATOM 419 OE2 GLU A 137 128.006 1.223 -14.033 1.00 0.00 O ATOM 0 H GLU A 137 127.201 0.068 -8.637 1.00 0.00 H new ATOM 0 HA GLU A 137 128.842 1.507 -10.496 1.00 0.00 H new ATOM 0 HB2 GLU A 137 128.595 -1.002 -10.335 1.00 0.00 H new ATOM 0 HB3 GLU A 137 126.955 -0.842 -10.934 1.00 0.00 H new ATOM 0 HG2 GLU A 137 129.454 0.017 -12.436 1.00 0.00 H new ATOM 0 HG3 GLU A 137 128.586 -1.482 -12.699 1.00 0.00 H new ATOM 426 N ARG A 138 125.583 1.771 -10.714 1.00 0.00 N ATOM 427 CA ARG A 138 124.508 2.500 -11.379 1.00 0.00 C ATOM 428 C ARG A 138 124.589 4.005 -11.123 1.00 0.00 C ATOM 429 O ARG A 138 124.737 4.784 -12.066 1.00 0.00 O ATOM 430 CB ARG A 138 123.145 1.953 -10.951 1.00 0.00 C ATOM 431 CG ARG A 138 121.971 2.809 -11.404 1.00 0.00 C ATOM 432 CD ARG A 138 121.995 3.045 -12.907 1.00 0.00 C ATOM 433 NE ARG A 138 122.010 1.795 -13.660 1.00 0.00 N ATOM 434 CZ ARG A 138 121.017 0.912 -13.645 1.00 0.00 C ATOM 435 NH1 ARG A 138 119.922 1.155 -12.938 1.00 0.00 N ATOM 436 NH2 ARG A 138 121.114 -0.210 -14.344 1.00 0.00 N ATOM 0 H ARG A 138 125.286 1.219 -9.909 1.00 0.00 H new ATOM 0 HA ARG A 138 124.628 2.349 -12.452 1.00 0.00 H new ATOM 0 HB2 ARG A 138 123.025 0.947 -11.352 1.00 0.00 H new ATOM 0 HB3 ARG A 138 123.123 1.868 -9.865 1.00 0.00 H new ATOM 0 HG2 ARG A 138 121.036 2.321 -11.127 1.00 0.00 H new ATOM 0 HG3 ARG A 138 121.997 3.767 -10.885 1.00 0.00 H new ATOM 0 HD2 ARG A 138 121.122 3.631 -13.195 1.00 0.00 H new ATOM 0 HD3 ARG A 138 122.874 3.634 -13.167 1.00 0.00 H new ATOM 0 HE ARG A 138 122.830 1.587 -14.230 1.00 0.00 H new ATOM 0 HH11 ARG A 138 119.841 2.021 -12.405 1.00 0.00 H new ATOM 0 HH12 ARG A 138 119.161 0.476 -12.927 1.00 0.00 H new ATOM 0 HH21 ARG A 138 121.952 -0.397 -14.895 1.00 0.00 H new ATOM 0 HH22 ARG A 138 120.351 -0.886 -14.331 1.00 0.00 H new ATOM 450 N TRP A 139 124.493 4.424 -9.858 1.00 0.00 N ATOM 451 CA TRP A 139 124.561 5.850 -9.535 1.00 0.00 C ATOM 452 C TRP A 139 125.408 6.123 -8.297 1.00 0.00 C ATOM 453 O TRP A 139 126.283 6.989 -8.326 1.00 0.00 O ATOM 454 CB TRP A 139 123.144 6.415 -9.346 1.00 0.00 C ATOM 455 CG TRP A 139 122.276 5.643 -8.383 1.00 0.00 C ATOM 456 CD1 TRP A 139 122.234 4.290 -8.207 1.00 0.00 C ATOM 457 CD2 TRP A 139 121.285 6.181 -7.499 1.00 0.00 C ATOM 458 NE1 TRP A 139 121.289 3.958 -7.271 1.00 0.00 N ATOM 459 CE2 TRP A 139 120.693 5.099 -6.822 1.00 0.00 C ATOM 460 CE3 TRP A 139 120.846 7.471 -7.214 1.00 0.00 C ATOM 461 CZ2 TRP A 139 119.682 5.268 -5.882 1.00 0.00 C ATOM 462 CZ3 TRP A 139 119.842 7.643 -6.279 1.00 0.00 C ATOM 463 CH2 TRP A 139 119.268 6.545 -5.624 1.00 0.00 C ATOM 0 H TRP A 139 124.370 3.808 -9.054 1.00 0.00 H new ATOM 0 HA TRP A 139 125.045 6.352 -10.373 1.00 0.00 H new ATOM 0 HB2 TRP A 139 123.223 7.444 -8.997 1.00 0.00 H new ATOM 0 HB3 TRP A 139 122.648 6.445 -10.316 1.00 0.00 H new ATOM 0 HD1 TRP A 139 122.857 3.581 -8.731 1.00 0.00 H new ATOM 0 HE1 TRP A 139 121.068 3.012 -6.961 1.00 0.00 H new ATOM 0 HE3 TRP A 139 121.282 8.323 -7.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 119.241 4.423 -5.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 119.495 8.640 -6.050 1.00 0.00 H new ATOM 0 HH2 TRP A 139 118.483 6.711 -4.901 1.00 0.00 H new ATOM 474 N GLY A 140 125.176 5.373 -7.224 1.00 0.00 N ATOM 475 CA GLY A 140 125.965 5.555 -6.016 1.00 0.00 C ATOM 476 C GLY A 140 126.415 6.992 -5.820 1.00 0.00 C ATOM 477 O GLY A 140 127.613 7.251 -5.702 1.00 0.00 O ATOM 0 H GLY A 140 124.462 4.647 -7.168 1.00 0.00 H new ATOM 0 HA2 GLY A 140 125.378 5.242 -5.153 1.00 0.00 H new ATOM 0 HA3 GLY A 140 126.841 4.907 -6.058 1.00 0.00 H new ATOM 481 N ASN A 141 125.476 7.935 -5.805 1.00 0.00 N ATOM 482 CA ASN A 141 125.826 9.344 -5.644 1.00 0.00 C ATOM 483 C ASN A 141 124.992 9.968 -4.547 1.00 0.00 C ATOM 484 O ASN A 141 124.962 11.187 -4.383 1.00 0.00 O ATOM 485 CB ASN A 141 125.598 10.089 -6.956 1.00 0.00 C ATOM 486 CG ASN A 141 126.094 11.521 -6.904 1.00 0.00 C ATOM 487 OD1 ASN A 141 127.278 11.773 -6.684 1.00 0.00 O ATOM 488 ND2 ASN A 141 125.187 12.468 -7.109 1.00 0.00 N ATOM 0 H ASN A 141 124.477 7.752 -5.901 1.00 0.00 H new ATOM 0 HA ASN A 141 126.879 9.415 -5.370 1.00 0.00 H new ATOM 0 HB2 ASN A 141 126.106 9.561 -7.763 1.00 0.00 H new ATOM 0 HB3 ASN A 141 124.534 10.085 -7.192 1.00 0.00 H new ATOM 0 HD21 ASN A 141 125.461 13.450 -7.088 1.00 0.00 H new ATOM 0 HD22 ASN A 141 124.216 12.214 -7.288 1.00 0.00 H new ATOM 495 N THR A 142 124.271 9.120 -3.841 1.00 0.00 N ATOM 496 CA THR A 142 123.374 9.562 -2.801 1.00 0.00 C ATOM 497 C THR A 142 124.085 9.795 -1.467 1.00 0.00 C ATOM 498 O THR A 142 125.124 9.199 -1.184 1.00 0.00 O ATOM 499 CB THR A 142 122.286 8.515 -2.644 1.00 0.00 C ATOM 500 OG1 THR A 142 122.770 7.401 -1.914 1.00 0.00 O ATOM 501 CG2 THR A 142 121.764 7.991 -3.969 1.00 0.00 C ATOM 0 H THR A 142 124.293 8.109 -3.974 1.00 0.00 H new ATOM 0 HA THR A 142 122.952 10.524 -3.092 1.00 0.00 H new ATOM 0 HB THR A 142 121.474 9.017 -2.119 1.00 0.00 H new ATOM 0 HG1 THR A 142 122.422 6.575 -2.309 1.00 0.00 H new ATOM 0 HG21 THR A 142 120.989 7.246 -3.786 1.00 0.00 H new ATOM 0 HG22 THR A 142 121.346 8.815 -4.547 1.00 0.00 H new ATOM 0 HG23 THR A 142 122.581 7.534 -4.527 1.00 0.00 H new ATOM 509 N ASP A 143 123.507 10.692 -0.662 1.00 0.00 N ATOM 510 CA ASP A 143 124.059 11.055 0.644 1.00 0.00 C ATOM 511 C ASP A 143 123.475 10.206 1.768 1.00 0.00 C ATOM 512 O ASP A 143 124.158 9.916 2.752 1.00 0.00 O ATOM 513 CB ASP A 143 123.784 12.533 0.929 1.00 0.00 C ATOM 514 CG ASP A 143 122.302 12.852 0.945 1.00 0.00 C ATOM 515 OD1 ASP A 143 121.577 12.264 1.774 1.00 0.00 O ATOM 516 OD2 ASP A 143 121.866 13.691 0.128 1.00 0.00 O ATOM 0 H ASP A 143 122.646 11.185 -0.898 1.00 0.00 H new ATOM 0 HA ASP A 143 125.133 10.871 0.609 1.00 0.00 H new ATOM 0 HB2 ASP A 143 124.221 12.802 1.890 1.00 0.00 H new ATOM 0 HB3 ASP A 143 124.276 13.144 0.172 1.00 0.00 H new ATOM 521 N ALA A 144 122.213 9.799 1.636 1.00 0.00 N ATOM 522 CA ALA A 144 121.605 8.987 2.678 1.00 0.00 C ATOM 523 C ALA A 144 122.502 7.796 2.949 1.00 0.00 C ATOM 524 O ALA A 144 122.720 7.415 4.099 1.00 0.00 O ATOM 525 CB ALA A 144 120.195 8.542 2.294 1.00 0.00 C ATOM 0 H ALA A 144 121.610 10.012 0.841 1.00 0.00 H new ATOM 0 HA ALA A 144 121.505 9.583 3.585 1.00 0.00 H new ATOM 0 HB1 ALA A 144 119.773 7.937 3.097 1.00 0.00 H new ATOM 0 HB2 ALA A 144 119.568 9.419 2.132 1.00 0.00 H new ATOM 0 HB3 ALA A 144 120.236 7.952 1.379 1.00 0.00 H new ATOM 531 N TYR A 145 123.037 7.214 1.869 1.00 0.00 N ATOM 532 CA TYR A 145 123.934 6.061 2.004 1.00 0.00 C ATOM 533 C TYR A 145 125.001 6.353 3.050 1.00 0.00 C ATOM 534 O TYR A 145 125.499 5.444 3.714 1.00 0.00 O ATOM 535 CB TYR A 145 124.602 5.730 0.661 1.00 0.00 C ATOM 536 CG TYR A 145 125.139 4.314 0.583 1.00 0.00 C ATOM 537 CD1 TYR A 145 124.280 3.222 0.627 1.00 0.00 C ATOM 538 CD2 TYR A 145 126.501 4.069 0.470 1.00 0.00 C ATOM 539 CE1 TYR A 145 124.763 1.930 0.562 1.00 0.00 C ATOM 540 CE2 TYR A 145 126.990 2.778 0.403 1.00 0.00 C ATOM 541 CZ TYR A 145 126.117 1.713 0.450 1.00 0.00 C ATOM 542 OH TYR A 145 126.602 0.427 0.384 1.00 0.00 O ATOM 0 H TYR A 145 122.869 7.515 0.909 1.00 0.00 H new ATOM 0 HA TYR A 145 123.343 5.201 2.319 1.00 0.00 H new ATOM 0 HB2 TYR A 145 123.880 5.881 -0.141 1.00 0.00 H new ATOM 0 HB3 TYR A 145 125.420 6.430 0.489 1.00 0.00 H new ATOM 0 HD1 TYR A 145 123.216 3.387 0.714 1.00 0.00 H new ATOM 0 HD2 TYR A 145 127.189 4.900 0.434 1.00 0.00 H new ATOM 0 HE1 TYR A 145 124.081 1.093 0.599 1.00 0.00 H new ATOM 0 HE2 TYR A 145 128.052 2.605 0.314 1.00 0.00 H new ATOM 0 HH TYR A 145 127.579 0.449 0.306 1.00 0.00 H new ATOM 552 N ARG A 146 125.340 7.629 3.203 1.00 0.00 N ATOM 553 CA ARG A 146 126.336 8.035 4.183 1.00 0.00 C ATOM 554 C ARG A 146 125.793 7.825 5.590 1.00 0.00 C ATOM 555 O ARG A 146 126.402 7.133 6.405 1.00 0.00 O ATOM 556 CB ARG A 146 126.722 9.501 3.991 1.00 0.00 C ATOM 557 CG ARG A 146 127.890 9.929 4.860 1.00 0.00 C ATOM 558 CD ARG A 146 128.192 11.410 4.701 1.00 0.00 C ATOM 559 NE ARG A 146 128.536 11.755 3.324 1.00 0.00 N ATOM 560 CZ ARG A 146 128.844 12.985 2.927 1.00 0.00 C ATOM 561 NH1 ARG A 146 128.854 13.982 3.801 1.00 0.00 N ATOM 562 NH2 ARG A 146 129.145 13.219 1.657 1.00 0.00 N ATOM 0 H ARG A 146 124.940 8.396 2.662 1.00 0.00 H new ATOM 0 HA ARG A 146 127.226 7.422 4.042 1.00 0.00 H new ATOM 0 HB2 ARG A 146 126.975 9.670 2.944 1.00 0.00 H new ATOM 0 HB3 ARG A 146 125.860 10.130 4.216 1.00 0.00 H new ATOM 0 HG2 ARG A 146 127.666 9.713 5.905 1.00 0.00 H new ATOM 0 HG3 ARG A 146 128.773 9.347 4.597 1.00 0.00 H new ATOM 0 HD2 ARG A 146 127.325 11.992 5.015 1.00 0.00 H new ATOM 0 HD3 ARG A 146 129.016 11.685 5.360 1.00 0.00 H new ATOM 0 HE ARG A 146 128.540 11.010 2.628 1.00 0.00 H new ATOM 0 HH11 ARG A 146 128.625 13.805 4.779 1.00 0.00 H new ATOM 0 HH12 ARG A 146 129.091 14.926 3.495 1.00 0.00 H new ATOM 0 HH21 ARG A 146 129.140 12.454 0.982 1.00 0.00 H new ATOM 0 HH22 ARG A 146 129.381 14.164 1.355 1.00 0.00 H new ATOM 576 N GLN A 147 124.629 8.411 5.860 1.00 0.00 N ATOM 577 CA GLN A 147 123.993 8.266 7.166 1.00 0.00 C ATOM 578 C GLN A 147 123.840 6.791 7.511 1.00 0.00 C ATOM 579 O GLN A 147 123.832 6.413 8.679 1.00 0.00 O ATOM 580 CB GLN A 147 122.615 8.952 7.200 1.00 0.00 C ATOM 581 CG GLN A 147 122.683 10.468 7.319 1.00 0.00 C ATOM 582 CD GLN A 147 123.200 11.148 6.066 1.00 0.00 C ATOM 583 OE1 GLN A 147 123.442 12.356 6.059 1.00 0.00 O ATOM 584 NE2 GLN A 147 123.354 10.384 4.993 1.00 0.00 N ATOM 0 H GLN A 147 124.110 8.987 5.197 1.00 0.00 H new ATOM 0 HA GLN A 147 124.633 8.750 7.904 1.00 0.00 H new ATOM 0 HB2 GLN A 147 122.069 8.693 6.293 1.00 0.00 H new ATOM 0 HB3 GLN A 147 122.044 8.557 8.040 1.00 0.00 H new ATOM 0 HG2 GLN A 147 121.689 10.852 7.548 1.00 0.00 H new ATOM 0 HG3 GLN A 147 123.327 10.731 8.158 1.00 0.00 H new ATOM 0 HE21 GLN A 147 123.142 9.387 5.042 1.00 0.00 H new ATOM 0 HE22 GLN A 147 123.684 10.793 4.119 1.00 0.00 H new ATOM 593 N SER A 148 123.699 5.972 6.474 1.00 0.00 N ATOM 594 CA SER A 148 123.521 4.533 6.636 1.00 0.00 C ATOM 595 C SER A 148 124.797 3.847 7.121 1.00 0.00 C ATOM 596 O SER A 148 124.775 3.098 8.095 1.00 0.00 O ATOM 597 CB SER A 148 123.092 3.924 5.300 1.00 0.00 C ATOM 598 OG SER A 148 122.667 2.582 5.459 1.00 0.00 O ATOM 0 H SER A 148 123.705 6.284 5.503 1.00 0.00 H new ATOM 0 HA SER A 148 122.753 4.375 7.393 1.00 0.00 H new ATOM 0 HB2 SER A 148 122.283 4.516 4.871 1.00 0.00 H new ATOM 0 HB3 SER A 148 123.923 3.963 4.596 1.00 0.00 H new ATOM 0 HG SER A 148 122.397 2.219 4.590 1.00 0.00 H new ATOM 604 N LYS A 149 125.903 4.094 6.430 1.00 0.00 N ATOM 605 CA LYS A 149 127.182 3.482 6.789 1.00 0.00 C ATOM 606 C LYS A 149 127.583 3.792 8.219 1.00 0.00 C ATOM 607 O LYS A 149 127.995 2.907 8.968 1.00 0.00 O ATOM 608 CB LYS A 149 128.291 3.975 5.871 1.00 0.00 C ATOM 609 CG LYS A 149 128.240 3.415 4.480 1.00 0.00 C ATOM 610 CD LYS A 149 129.536 3.739 3.757 1.00 0.00 C ATOM 611 CE LYS A 149 129.485 3.352 2.297 1.00 0.00 C ATOM 612 NZ LYS A 149 130.802 3.543 1.626 1.00 0.00 N ATOM 0 H LYS A 149 125.943 4.712 5.619 1.00 0.00 H new ATOM 0 HA LYS A 149 127.047 2.406 6.682 1.00 0.00 H new ATOM 0 HB2 LYS A 149 128.242 5.062 5.814 1.00 0.00 H new ATOM 0 HB3 LYS A 149 129.253 3.722 6.316 1.00 0.00 H new ATOM 0 HG2 LYS A 149 128.091 2.336 4.516 1.00 0.00 H new ATOM 0 HG3 LYS A 149 127.393 3.836 3.938 1.00 0.00 H new ATOM 0 HD2 LYS A 149 129.741 4.806 3.842 1.00 0.00 H new ATOM 0 HD3 LYS A 149 130.361 3.217 4.241 1.00 0.00 H new ATOM 0 HE2 LYS A 149 129.180 2.309 2.208 1.00 0.00 H new ATOM 0 HE3 LYS A 149 128.728 3.950 1.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 130.726 3.267 0.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 131.082 4.543 1.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 131.519 2.953 2.094 1.00 0.00 H new ATOM 626 N GLU A 150 127.477 5.056 8.583 1.00 0.00 N ATOM 627 CA GLU A 150 127.846 5.501 9.914 1.00 0.00 C ATOM 628 C GLU A 150 127.097 4.715 10.986 1.00 0.00 C ATOM 629 O GLU A 150 127.679 4.294 11.985 1.00 0.00 O ATOM 630 CB GLU A 150 127.545 6.995 10.050 1.00 0.00 C ATOM 631 CG GLU A 150 128.297 7.674 11.179 1.00 0.00 C ATOM 632 CD GLU A 150 127.852 9.108 11.397 1.00 0.00 C ATOM 633 OE1 GLU A 150 127.973 9.916 10.453 1.00 0.00 O ATOM 634 OE2 GLU A 150 127.382 9.420 12.511 1.00 0.00 O ATOM 0 H GLU A 150 127.136 5.797 7.971 1.00 0.00 H new ATOM 0 HA GLU A 150 128.912 5.326 10.056 1.00 0.00 H new ATOM 0 HB2 GLU A 150 127.792 7.492 9.112 1.00 0.00 H new ATOM 0 HB3 GLU A 150 126.475 7.127 10.209 1.00 0.00 H new ATOM 0 HG2 GLU A 150 128.151 7.108 12.099 1.00 0.00 H new ATOM 0 HG3 GLU A 150 129.365 7.658 10.961 1.00 0.00 H new ATOM 641 N LYS A 151 125.797 4.548 10.779 1.00 0.00 N ATOM 642 CA LYS A 151 124.947 3.841 11.732 1.00 0.00 C ATOM 643 C LYS A 151 124.922 2.324 11.521 1.00 0.00 C ATOM 644 O LYS A 151 124.654 1.575 12.460 1.00 0.00 O ATOM 645 CB LYS A 151 123.522 4.385 11.660 1.00 0.00 C ATOM 646 CG LYS A 151 122.857 4.201 10.313 1.00 0.00 C ATOM 647 CD LYS A 151 121.630 5.088 10.173 1.00 0.00 C ATOM 648 CE LYS A 151 120.511 4.674 11.125 1.00 0.00 C ATOM 649 NZ LYS A 151 120.891 4.854 12.553 1.00 0.00 N ATOM 0 H LYS A 151 125.305 4.894 9.955 1.00 0.00 H new ATOM 0 HA LYS A 151 125.379 4.017 12.717 1.00 0.00 H new ATOM 0 HB2 LYS A 151 122.918 3.892 12.422 1.00 0.00 H new ATOM 0 HB3 LYS A 151 123.538 5.447 11.903 1.00 0.00 H new ATOM 0 HG2 LYS A 151 123.568 4.433 9.520 1.00 0.00 H new ATOM 0 HG3 LYS A 151 122.569 3.157 10.187 1.00 0.00 H new ATOM 0 HD2 LYS A 151 121.908 6.124 10.369 1.00 0.00 H new ATOM 0 HD3 LYS A 151 121.267 5.044 9.146 1.00 0.00 H new ATOM 0 HE2 LYS A 151 119.619 5.262 10.912 1.00 0.00 H new ATOM 0 HE3 LYS A 151 120.254 3.630 10.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 151 120.083 5.242 13.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 151 121.161 3.935 12.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 151 121.695 5.511 12.618 1.00 0.00 H new ATOM 663 N THR A 152 125.165 1.863 10.289 1.00 0.00 N ATOM 664 CA THR A 152 125.121 0.434 10.003 1.00 0.00 C ATOM 665 C THR A 152 126.406 -0.239 10.426 1.00 0.00 C ATOM 666 O THR A 152 126.614 -1.429 10.188 1.00 0.00 O ATOM 667 CB THR A 152 124.852 0.179 8.520 1.00 0.00 C ATOM 668 OG1 THR A 152 125.904 0.693 7.723 1.00 0.00 O ATOM 669 CG2 THR A 152 123.556 0.791 8.025 1.00 0.00 C ATOM 0 H THR A 152 125.391 2.453 9.488 1.00 0.00 H new ATOM 0 HA THR A 152 124.300 0.006 10.578 1.00 0.00 H new ATOM 0 HB THR A 152 124.778 -0.904 8.426 1.00 0.00 H new ATOM 0 HG1 THR A 152 126.595 0.007 7.611 1.00 0.00 H new ATOM 0 HG21 THR A 152 123.431 0.570 6.965 1.00 0.00 H new ATOM 0 HG22 THR A 152 122.719 0.373 8.584 1.00 0.00 H new ATOM 0 HG23 THR A 152 123.585 1.871 8.169 1.00 0.00 H new ATOM 677 N ALA A 153 127.276 0.539 11.040 1.00 0.00 N ATOM 678 CA ALA A 153 128.558 0.042 11.481 1.00 0.00 C ATOM 679 C ALA A 153 128.438 -1.251 12.297 1.00 0.00 C ATOM 680 O ALA A 153 129.227 -2.177 12.109 1.00 0.00 O ATOM 681 CB ALA A 153 129.282 1.107 12.290 1.00 0.00 C ATOM 0 H ALA A 153 127.113 1.525 11.244 1.00 0.00 H new ATOM 0 HA ALA A 153 129.135 -0.195 10.587 1.00 0.00 H new ATOM 0 HB1 ALA A 153 130.248 0.721 12.617 1.00 0.00 H new ATOM 0 HB2 ALA A 153 129.435 1.992 11.672 1.00 0.00 H new ATOM 0 HB3 ALA A 153 128.683 1.372 13.161 1.00 0.00 H new ATOM 687 N SER A 154 127.480 -1.297 13.229 1.00 0.00 N ATOM 688 CA SER A 154 127.308 -2.470 14.098 1.00 0.00 C ATOM 689 C SER A 154 125.972 -3.198 13.904 1.00 0.00 C ATOM 690 O SER A 154 125.603 -4.030 14.734 1.00 0.00 O ATOM 691 CB SER A 154 127.439 -2.044 15.561 1.00 0.00 C ATOM 692 OG SER A 154 127.280 -3.152 16.431 1.00 0.00 O ATOM 0 H SER A 154 126.816 -0.543 13.402 1.00 0.00 H new ATOM 0 HA SER A 154 128.091 -3.175 13.818 1.00 0.00 H new ATOM 0 HB2 SER A 154 128.415 -1.587 15.724 1.00 0.00 H new ATOM 0 HB3 SER A 154 126.690 -1.287 15.791 1.00 0.00 H new ATOM 0 HG SER A 154 126.822 -3.877 15.957 1.00 0.00 H new ATOM 698 N TYR A 155 125.244 -2.904 12.832 1.00 0.00 N ATOM 699 CA TYR A 155 123.959 -3.571 12.598 1.00 0.00 C ATOM 700 C TYR A 155 124.122 -5.083 12.504 1.00 0.00 C ATOM 701 O TYR A 155 125.019 -5.593 11.830 1.00 0.00 O ATOM 702 CB TYR A 155 123.290 -3.049 11.330 1.00 0.00 C ATOM 703 CG TYR A 155 122.416 -1.834 11.544 1.00 0.00 C ATOM 704 CD1 TYR A 155 122.875 -0.737 12.261 1.00 0.00 C ATOM 705 CD2 TYR A 155 121.141 -1.772 10.997 1.00 0.00 C ATOM 706 CE1 TYR A 155 122.085 0.384 12.429 1.00 0.00 C ATOM 707 CE2 TYR A 155 120.346 -0.656 11.164 1.00 0.00 C ATOM 708 CZ TYR A 155 120.822 0.419 11.880 1.00 0.00 C ATOM 709 OH TYR A 155 120.034 1.534 12.047 1.00 0.00 O ATOM 0 H TYR A 155 125.511 -2.223 12.121 1.00 0.00 H new ATOM 0 HA TYR A 155 123.323 -3.343 13.454 1.00 0.00 H new ATOM 0 HB2 TYR A 155 124.062 -2.803 10.601 1.00 0.00 H new ATOM 0 HB3 TYR A 155 122.685 -3.846 10.898 1.00 0.00 H new ATOM 0 HD1 TYR A 155 123.864 -0.760 12.694 1.00 0.00 H new ATOM 0 HD2 TYR A 155 120.765 -2.612 10.431 1.00 0.00 H new ATOM 0 HE1 TYR A 155 122.456 1.230 12.989 1.00 0.00 H new ATOM 0 HE2 TYR A 155 119.355 -0.626 10.735 1.00 0.00 H new ATOM 0 HH TYR A 155 119.174 1.397 11.597 1.00 0.00 H new ATOM 719 N THR A 156 123.240 -5.782 13.201 1.00 0.00 N ATOM 720 CA THR A 156 123.234 -7.240 13.246 1.00 0.00 C ATOM 721 C THR A 156 122.022 -7.806 12.508 1.00 0.00 C ATOM 722 O THR A 156 121.193 -7.057 11.994 1.00 0.00 O ATOM 723 CB THR A 156 123.219 -7.700 14.703 1.00 0.00 C ATOM 724 OG1 THR A 156 122.231 -7.001 15.438 1.00 0.00 O ATOM 725 CG2 THR A 156 124.542 -7.499 15.409 1.00 0.00 C ATOM 0 H THR A 156 122.501 -5.352 13.757 1.00 0.00 H new ATOM 0 HA THR A 156 124.133 -7.609 12.752 1.00 0.00 H new ATOM 0 HB THR A 156 123.004 -8.768 14.666 1.00 0.00 H new ATOM 0 HG1 THR A 156 122.267 -7.275 16.378 1.00 0.00 H new ATOM 0 HG21 THR A 156 124.461 -7.846 16.439 1.00 0.00 H new ATOM 0 HG22 THR A 156 125.319 -8.065 14.895 1.00 0.00 H new ATOM 0 HG23 THR A 156 124.801 -6.440 15.403 1.00 0.00 H new ATOM 733 N LYS A 157 121.926 -9.133 12.462 1.00 0.00 N ATOM 734 CA LYS A 157 120.816 -9.798 11.783 1.00 0.00 C ATOM 735 C LYS A 157 119.463 -9.382 12.361 1.00 0.00 C ATOM 736 O LYS A 157 118.473 -9.304 11.635 1.00 0.00 O ATOM 737 CB LYS A 157 120.976 -11.326 11.842 1.00 0.00 C ATOM 738 CG LYS A 157 121.505 -11.850 13.166 1.00 0.00 C ATOM 739 CD LYS A 157 121.788 -13.340 13.120 1.00 0.00 C ATOM 740 CE LYS A 157 120.562 -14.147 12.716 1.00 0.00 C ATOM 741 NZ LYS A 157 120.209 -13.958 11.282 1.00 0.00 N ATOM 0 H LYS A 157 122.602 -9.768 12.886 1.00 0.00 H new ATOM 0 HA LYS A 157 120.841 -9.482 10.740 1.00 0.00 H new ATOM 0 HB2 LYS A 157 120.009 -11.788 11.642 1.00 0.00 H new ATOM 0 HB3 LYS A 157 121.650 -11.640 11.045 1.00 0.00 H new ATOM 0 HG2 LYS A 157 122.419 -11.316 13.427 1.00 0.00 H new ATOM 0 HG3 LYS A 157 120.779 -11.644 13.953 1.00 0.00 H new ATOM 0 HD2 LYS A 157 122.596 -13.533 12.414 1.00 0.00 H new ATOM 0 HD3 LYS A 157 122.133 -13.673 14.099 1.00 0.00 H new ATOM 0 HE2 LYS A 157 120.747 -15.204 12.906 1.00 0.00 H new ATOM 0 HE3 LYS A 157 119.716 -13.854 13.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 119.374 -13.343 11.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 121.008 -13.518 10.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 119.998 -14.881 10.852 1.00 0.00 H new ATOM 755 N GLU A 158 119.419 -9.123 13.667 1.00 0.00 N ATOM 756 CA GLU A 158 118.173 -8.722 14.323 1.00 0.00 C ATOM 757 C GLU A 158 117.644 -7.419 13.757 1.00 0.00 C ATOM 758 O GLU A 158 116.485 -7.322 13.353 1.00 0.00 O ATOM 759 CB GLU A 158 118.401 -8.552 15.816 1.00 0.00 C ATOM 760 CG GLU A 158 119.657 -7.773 16.167 1.00 0.00 C ATOM 761 CD GLU A 158 119.865 -7.651 17.663 1.00 0.00 C ATOM 762 OE1 GLU A 158 118.985 -7.080 18.340 1.00 0.00 O ATOM 763 OE2 GLU A 158 120.909 -8.125 18.158 1.00 0.00 O ATOM 0 H GLU A 158 120.225 -9.183 14.289 1.00 0.00 H new ATOM 0 HA GLU A 158 117.439 -9.507 14.142 1.00 0.00 H new ATOM 0 HB2 GLU A 158 117.539 -8.045 16.249 1.00 0.00 H new ATOM 0 HB3 GLU A 158 118.456 -9.537 16.279 1.00 0.00 H new ATOM 0 HG2 GLU A 158 120.522 -8.265 15.722 1.00 0.00 H new ATOM 0 HG3 GLU A 158 119.597 -6.777 15.729 1.00 0.00 H new ATOM 770 N ASP A 159 118.512 -6.432 13.713 1.00 0.00 N ATOM 771 CA ASP A 159 118.158 -5.128 13.175 1.00 0.00 C ATOM 772 C ASP A 159 117.672 -5.303 11.754 1.00 0.00 C ATOM 773 O ASP A 159 116.708 -4.672 11.326 1.00 0.00 O ATOM 774 CB ASP A 159 119.376 -4.209 13.185 1.00 0.00 C ATOM 775 CG ASP A 159 119.011 -2.760 12.931 1.00 0.00 C ATOM 776 OD1 ASP A 159 118.441 -2.469 11.860 1.00 0.00 O ATOM 777 OD2 ASP A 159 119.297 -1.914 13.806 1.00 0.00 O ATOM 0 H ASP A 159 119.474 -6.504 14.044 1.00 0.00 H new ATOM 0 HA ASP A 159 117.375 -4.682 13.788 1.00 0.00 H new ATOM 0 HB2 ASP A 159 119.880 -4.290 14.148 1.00 0.00 H new ATOM 0 HB3 ASP A 159 120.084 -4.541 12.425 1.00 0.00 H new ATOM 782 N TRP A 160 118.341 -6.180 11.040 1.00 0.00 N ATOM 783 CA TRP A 160 117.977 -6.465 9.656 1.00 0.00 C ATOM 784 C TRP A 160 116.675 -7.260 9.590 1.00 0.00 C ATOM 785 O TRP A 160 115.834 -7.032 8.714 1.00 0.00 O ATOM 786 CB TRP A 160 119.111 -7.203 8.944 1.00 0.00 C ATOM 787 CG TRP A 160 120.322 -6.346 8.733 1.00 0.00 C ATOM 788 CD1 TRP A 160 121.578 -6.566 9.221 1.00 0.00 C ATOM 789 CD2 TRP A 160 120.390 -5.124 7.986 1.00 0.00 C ATOM 790 NE1 TRP A 160 122.423 -5.562 8.817 1.00 0.00 N ATOM 791 CE2 TRP A 160 121.718 -4.665 8.060 1.00 0.00 C ATOM 792 CE3 TRP A 160 119.459 -4.376 7.259 1.00 0.00 C ATOM 793 CZ2 TRP A 160 122.138 -3.492 7.437 1.00 0.00 C ATOM 794 CZ3 TRP A 160 119.876 -3.211 6.642 1.00 0.00 C ATOM 795 CH2 TRP A 160 121.205 -2.780 6.735 1.00 0.00 C ATOM 0 H TRP A 160 119.140 -6.711 11.387 1.00 0.00 H new ATOM 0 HA TRP A 160 117.815 -5.518 9.141 1.00 0.00 H new ATOM 0 HB2 TRP A 160 119.390 -8.080 9.528 1.00 0.00 H new ATOM 0 HB3 TRP A 160 118.754 -7.563 7.979 1.00 0.00 H new ATOM 0 HD1 TRP A 160 121.865 -7.407 9.835 1.00 0.00 H new ATOM 0 HE1 TRP A 160 123.415 -5.495 9.044 1.00 0.00 H new ATOM 0 HE3 TRP A 160 118.432 -4.702 7.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 160 123.163 -3.157 7.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 160 119.165 -2.624 6.079 1.00 0.00 H new ATOM 0 HH2 TRP A 160 121.500 -1.866 6.242 1.00 0.00 H new ATOM 806 N GLN A 161 116.500 -8.175 10.536 1.00 0.00 N ATOM 807 CA GLN A 161 115.288 -8.980 10.597 1.00 0.00 C ATOM 808 C GLN A 161 114.084 -8.081 10.840 1.00 0.00 C ATOM 809 O GLN A 161 112.971 -8.377 10.403 1.00 0.00 O ATOM 810 CB GLN A 161 115.395 -10.028 11.707 1.00 0.00 C ATOM 811 CG GLN A 161 114.162 -10.906 11.834 1.00 0.00 C ATOM 812 CD GLN A 161 113.864 -11.681 10.565 1.00 0.00 C ATOM 813 OE1 GLN A 161 114.682 -12.474 10.101 1.00 0.00 O ATOM 814 NE2 GLN A 161 112.685 -11.453 9.997 1.00 0.00 N ATOM 0 H GLN A 161 117.180 -8.377 11.269 1.00 0.00 H new ATOM 0 HA GLN A 161 115.163 -9.497 9.646 1.00 0.00 H new ATOM 0 HB2 GLN A 161 116.263 -10.660 11.517 1.00 0.00 H new ATOM 0 HB3 GLN A 161 115.571 -9.523 12.657 1.00 0.00 H new ATOM 0 HG2 GLN A 161 114.302 -11.606 12.658 1.00 0.00 H new ATOM 0 HG3 GLN A 161 113.303 -10.285 12.086 1.00 0.00 H new ATOM 0 HE21 GLN A 161 112.037 -10.786 10.417 1.00 0.00 H new ATOM 0 HE22 GLN A 161 112.428 -11.945 9.141 1.00 0.00 H new ATOM 823 N ARG A 162 114.325 -6.975 11.534 1.00 0.00 N ATOM 824 CA ARG A 162 113.282 -6.013 11.839 1.00 0.00 C ATOM 825 C ARG A 162 112.842 -5.274 10.580 1.00 0.00 C ATOM 826 O ARG A 162 111.666 -4.960 10.412 1.00 0.00 O ATOM 827 CB ARG A 162 113.787 -5.019 12.886 1.00 0.00 C ATOM 828 CG ARG A 162 112.829 -3.876 13.173 1.00 0.00 C ATOM 829 CD ARG A 162 111.493 -4.376 13.695 1.00 0.00 C ATOM 830 NE ARG A 162 111.645 -5.193 14.896 1.00 0.00 N ATOM 831 CZ ARG A 162 110.625 -5.744 15.546 1.00 0.00 C ATOM 832 NH1 ARG A 162 109.385 -5.566 15.109 1.00 0.00 N ATOM 833 NH2 ARG A 162 110.844 -6.474 16.630 1.00 0.00 N ATOM 0 H ARG A 162 115.244 -6.724 11.898 1.00 0.00 H new ATOM 0 HA ARG A 162 112.420 -6.548 12.237 1.00 0.00 H new ATOM 0 HB2 ARG A 162 113.984 -5.555 13.814 1.00 0.00 H new ATOM 0 HB3 ARG A 162 114.738 -4.605 12.549 1.00 0.00 H new ATOM 0 HG2 ARG A 162 113.276 -3.203 13.904 1.00 0.00 H new ATOM 0 HG3 ARG A 162 112.670 -3.298 12.263 1.00 0.00 H new ATOM 0 HD2 ARG A 162 110.848 -3.525 13.915 1.00 0.00 H new ATOM 0 HD3 ARG A 162 110.997 -4.960 12.920 1.00 0.00 H new ATOM 0 HE ARG A 162 112.586 -5.349 15.256 1.00 0.00 H new ATOM 0 HH11 ARG A 162 109.214 -5.006 14.274 1.00 0.00 H new ATOM 0 HH12 ARG A 162 108.603 -5.989 15.608 1.00 0.00 H new ATOM 0 HH21 ARG A 162 111.797 -6.614 16.967 1.00 0.00 H new ATOM 0 HH22 ARG A 162 110.060 -6.896 17.128 1.00 0.00 H new ATOM 847 N ILE A 163 113.793 -4.993 9.696 1.00 0.00 N ATOM 848 CA ILE A 163 113.487 -4.283 8.460 1.00 0.00 C ATOM 849 C ILE A 163 112.468 -5.043 7.613 1.00 0.00 C ATOM 850 O ILE A 163 111.596 -4.433 6.992 1.00 0.00 O ATOM 851 CB ILE A 163 114.757 -4.017 7.608 1.00 0.00 C ATOM 852 CG1 ILE A 163 115.492 -2.759 8.087 1.00 0.00 C ATOM 853 CG2 ILE A 163 114.398 -3.875 6.134 1.00 0.00 C ATOM 854 CD1 ILE A 163 116.014 -2.841 9.503 1.00 0.00 C ATOM 0 H ILE A 163 114.775 -5.244 9.811 1.00 0.00 H new ATOM 0 HA ILE A 163 113.062 -3.325 8.761 1.00 0.00 H new ATOM 0 HB ILE A 163 115.420 -4.873 7.731 1.00 0.00 H new ATOM 0 HG12 ILE A 163 116.328 -2.564 7.415 1.00 0.00 H new ATOM 0 HG13 ILE A 163 114.816 -1.907 8.011 1.00 0.00 H new ATOM 0 HG21 ILE A 163 115.303 -3.689 5.555 1.00 0.00 H new ATOM 0 HG22 ILE A 163 113.926 -4.793 5.784 1.00 0.00 H new ATOM 0 HG23 ILE A 163 113.708 -3.041 6.006 1.00 0.00 H new ATOM 0 HD11 ILE A 163 116.519 -1.910 9.759 1.00 0.00 H new ATOM 0 HD12 ILE A 163 115.182 -3.003 10.189 1.00 0.00 H new ATOM 0 HD13 ILE A 163 116.717 -3.670 9.584 1.00 0.00 H new ATOM 866 N GLN A 164 112.591 -6.370 7.557 1.00 0.00 N ATOM 867 CA GLN A 164 111.677 -7.168 6.737 1.00 0.00 C ATOM 868 C GLN A 164 110.269 -7.241 7.332 1.00 0.00 C ATOM 869 O GLN A 164 109.289 -7.068 6.610 1.00 0.00 O ATOM 870 CB GLN A 164 112.211 -8.582 6.503 1.00 0.00 C ATOM 871 CG GLN A 164 111.498 -9.302 5.369 1.00 0.00 C ATOM 872 CD GLN A 164 111.868 -10.768 5.272 1.00 0.00 C ATOM 873 OE1 GLN A 164 113.029 -11.116 5.071 1.00 0.00 O ATOM 874 NE2 GLN A 164 110.873 -11.635 5.411 1.00 0.00 N ATOM 0 H GLN A 164 113.299 -6.907 8.058 1.00 0.00 H new ATOM 0 HA GLN A 164 111.613 -6.653 5.778 1.00 0.00 H new ATOM 0 HB2 GLN A 164 113.277 -8.531 6.281 1.00 0.00 H new ATOM 0 HB3 GLN A 164 112.104 -9.162 7.420 1.00 0.00 H new ATOM 0 HG2 GLN A 164 110.421 -9.214 5.511 1.00 0.00 H new ATOM 0 HG3 GLN A 164 111.737 -8.810 4.426 1.00 0.00 H new ATOM 0 HE21 GLN A 164 109.924 -11.300 5.577 1.00 0.00 H new ATOM 0 HE22 GLN A 164 111.057 -12.636 5.352 1.00 0.00 H new ATOM 883 N ASP A 165 110.150 -7.503 8.631 1.00 0.00 N ATOM 884 CA ASP A 165 108.826 -7.593 9.245 1.00 0.00 C ATOM 885 C ASP A 165 108.033 -6.318 8.964 1.00 0.00 C ATOM 886 O ASP A 165 106.804 -6.336 8.892 1.00 0.00 O ATOM 887 CB ASP A 165 108.923 -7.859 10.753 1.00 0.00 C ATOM 888 CG ASP A 165 109.419 -6.664 11.539 1.00 0.00 C ATOM 889 OD1 ASP A 165 109.599 -5.591 10.936 1.00 0.00 O ATOM 890 OD2 ASP A 165 109.613 -6.802 12.765 1.00 0.00 O ATOM 0 H ASP A 165 110.933 -7.654 9.267 1.00 0.00 H new ATOM 0 HA ASP A 165 108.300 -8.439 8.802 1.00 0.00 H new ATOM 0 HB2 ASP A 165 107.942 -8.150 11.128 1.00 0.00 H new ATOM 0 HB3 ASP A 165 109.593 -8.702 10.924 1.00 0.00 H new ATOM 895 N GLU A 166 108.756 -5.217 8.781 1.00 0.00 N ATOM 896 CA GLU A 166 108.133 -3.931 8.476 1.00 0.00 C ATOM 897 C GLU A 166 107.604 -3.930 7.044 1.00 0.00 C ATOM 898 O GLU A 166 106.528 -3.398 6.766 1.00 0.00 O ATOM 899 CB GLU A 166 109.128 -2.779 8.660 1.00 0.00 C ATOM 900 CG GLU A 166 109.520 -2.520 10.106 1.00 0.00 C ATOM 901 CD GLU A 166 108.351 -2.068 10.961 1.00 0.00 C ATOM 902 OE1 GLU A 166 107.245 -1.889 10.411 1.00 0.00 O ATOM 903 OE2 GLU A 166 108.546 -1.883 12.181 1.00 0.00 O ATOM 0 H GLU A 166 109.774 -5.189 8.838 1.00 0.00 H new ATOM 0 HA GLU A 166 107.304 -3.785 9.169 1.00 0.00 H new ATOM 0 HB2 GLU A 166 110.028 -2.995 8.084 1.00 0.00 H new ATOM 0 HB3 GLU A 166 108.695 -1.869 8.244 1.00 0.00 H new ATOM 0 HG2 GLU A 166 109.944 -3.430 10.531 1.00 0.00 H new ATOM 0 HG3 GLU A 166 110.301 -1.760 10.135 1.00 0.00 H new ATOM 910 N ALA A 167 108.368 -4.535 6.139 1.00 0.00 N ATOM 911 CA ALA A 167 107.984 -4.612 4.734 1.00 0.00 C ATOM 912 C ALA A 167 106.912 -5.673 4.514 1.00 0.00 C ATOM 913 O ALA A 167 106.030 -5.515 3.671 1.00 0.00 O ATOM 914 CB ALA A 167 109.202 -4.909 3.873 1.00 0.00 C ATOM 0 H ALA A 167 109.260 -4.980 6.355 1.00 0.00 H new ATOM 0 HA ALA A 167 107.569 -3.647 4.443 1.00 0.00 H new ATOM 0 HB1 ALA A 167 108.903 -4.964 2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 167 109.939 -4.115 3.999 1.00 0.00 H new ATOM 0 HB3 ALA A 167 109.639 -5.861 4.176 1.00 0.00 H new ATOM 920 N ASP A 168 106.998 -6.756 5.278 1.00 0.00 N ATOM 921 CA ASP A 168 106.039 -7.849 5.170 1.00 0.00 C ATOM 922 C ASP A 168 104.610 -7.343 5.349 1.00 0.00 C ATOM 923 O ASP A 168 103.743 -7.585 4.507 1.00 0.00 O ATOM 924 CB ASP A 168 106.358 -8.933 6.203 1.00 0.00 C ATOM 925 CG ASP A 168 107.660 -9.649 5.909 1.00 0.00 C ATOM 926 OD1 ASP A 168 107.788 -10.219 4.805 1.00 0.00 O ATOM 927 OD2 ASP A 168 108.550 -9.645 6.785 1.00 0.00 O ATOM 0 H ASP A 168 107.724 -6.901 5.980 1.00 0.00 H new ATOM 0 HA ASP A 168 106.120 -8.279 4.172 1.00 0.00 H new ATOM 0 HB2 ASP A 168 106.411 -8.482 7.194 1.00 0.00 H new ATOM 0 HB3 ASP A 168 105.545 -9.659 6.226 1.00 0.00 H new ATOM 932 N GLU A 169 104.374 -6.633 6.443 1.00 0.00 N ATOM 933 CA GLU A 169 103.052 -6.083 6.729 1.00 0.00 C ATOM 934 C GLU A 169 102.668 -5.025 5.705 1.00 0.00 C ATOM 935 O GLU A 169 101.498 -4.886 5.346 1.00 0.00 O ATOM 936 CB GLU A 169 103.018 -5.460 8.123 1.00 0.00 C ATOM 937 CG GLU A 169 101.742 -4.679 8.404 1.00 0.00 C ATOM 938 CD GLU A 169 100.514 -5.567 8.467 1.00 0.00 C ATOM 939 OE1 GLU A 169 100.662 -6.797 8.309 1.00 0.00 O ATOM 940 OE2 GLU A 169 99.405 -5.033 8.676 1.00 0.00 O ATOM 0 H GLU A 169 105.080 -6.423 7.149 1.00 0.00 H new ATOM 0 HA GLU A 169 102.338 -6.905 6.679 1.00 0.00 H new ATOM 0 HB2 GLU A 169 103.124 -6.248 8.868 1.00 0.00 H new ATOM 0 HB3 GLU A 169 103.875 -4.796 8.237 1.00 0.00 H new ATOM 0 HG2 GLU A 169 101.848 -4.145 9.348 1.00 0.00 H new ATOM 0 HG3 GLU A 169 101.602 -3.927 7.627 1.00 0.00 H new ATOM 947 N LEU A 170 103.659 -4.276 5.247 1.00 0.00 N ATOM 948 CA LEU A 170 103.438 -3.233 4.283 1.00 0.00 C ATOM 949 C LEU A 170 102.784 -3.789 3.025 1.00 0.00 C ATOM 950 O LEU A 170 101.885 -3.173 2.456 1.00 0.00 O ATOM 951 CB LEU A 170 104.771 -2.572 3.964 1.00 0.00 C ATOM 952 CG LEU A 170 104.659 -1.210 3.303 1.00 0.00 C ATOM 953 CD1 LEU A 170 105.910 -0.386 3.566 1.00 0.00 C ATOM 954 CD2 LEU A 170 104.421 -1.358 1.805 1.00 0.00 C ATOM 0 H LEU A 170 104.631 -4.381 5.537 1.00 0.00 H new ATOM 0 HA LEU A 170 102.757 -2.489 4.697 1.00 0.00 H new ATOM 0 HB2 LEU A 170 105.340 -2.467 4.888 1.00 0.00 H new ATOM 0 HB3 LEU A 170 105.342 -3.232 3.311 1.00 0.00 H new ATOM 0 HG LEU A 170 103.805 -0.688 3.735 1.00 0.00 H new ATOM 0 HD11 LEU A 170 105.812 0.587 3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 170 106.036 -0.249 4.640 1.00 0.00 H new ATOM 0 HD13 LEU A 170 106.779 -0.905 3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 170 104.344 -0.371 1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 170 105.253 -1.900 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 170 103.496 -1.909 1.636 1.00 0.00 H new ATOM 966 N THR A 171 103.229 -4.961 2.600 1.00 0.00 N ATOM 967 CA THR A 171 102.670 -5.591 1.409 1.00 0.00 C ATOM 968 C THR A 171 101.211 -5.945 1.613 1.00 0.00 C ATOM 969 O THR A 171 100.360 -5.568 0.814 1.00 0.00 O ATOM 970 CB THR A 171 103.458 -6.843 1.025 1.00 0.00 C ATOM 971 OG1 THR A 171 103.966 -7.492 2.176 1.00 0.00 O ATOM 972 CG2 THR A 171 104.610 -6.567 0.095 1.00 0.00 C ATOM 0 H THR A 171 103.970 -5.494 3.056 1.00 0.00 H new ATOM 0 HA THR A 171 102.745 -4.869 0.596 1.00 0.00 H new ATOM 0 HB THR A 171 102.745 -7.480 0.502 1.00 0.00 H new ATOM 0 HG1 THR A 171 103.362 -7.337 2.932 1.00 0.00 H new ATOM 0 HG21 THR A 171 105.124 -7.500 -0.135 1.00 0.00 H new ATOM 0 HG22 THR A 171 104.235 -6.123 -0.827 1.00 0.00 H new ATOM 0 HG23 THR A 171 105.306 -5.878 0.573 1.00 0.00 H new ATOM 980 N ARG A 172 100.911 -6.670 2.667 1.00 0.00 N ATOM 981 CA ARG A 172 99.549 -7.055 2.904 1.00 0.00 C ATOM 982 C ARG A 172 98.639 -5.851 2.815 1.00 0.00 C ATOM 983 O ARG A 172 97.641 -5.872 2.105 1.00 0.00 O ATOM 984 CB ARG A 172 99.397 -7.668 4.282 1.00 0.00 C ATOM 985 CG ARG A 172 100.585 -8.492 4.720 1.00 0.00 C ATOM 986 CD ARG A 172 100.865 -9.630 3.751 1.00 0.00 C ATOM 987 NE ARG A 172 99.731 -10.544 3.634 1.00 0.00 N ATOM 988 CZ ARG A 172 99.271 -11.282 4.639 1.00 0.00 C ATOM 989 NH1 ARG A 172 99.858 -11.231 5.827 1.00 0.00 N ATOM 990 NH2 ARG A 172 98.225 -12.076 4.456 1.00 0.00 N ATOM 0 H ARG A 172 101.583 -6.998 3.360 1.00 0.00 H new ATOM 0 HA ARG A 172 99.275 -7.787 2.144 1.00 0.00 H new ATOM 0 HB2 ARG A 172 99.233 -6.871 5.007 1.00 0.00 H new ATOM 0 HB3 ARG A 172 98.507 -8.297 4.293 1.00 0.00 H new ATOM 0 HG2 ARG A 172 101.464 -7.852 4.795 1.00 0.00 H new ATOM 0 HG3 ARG A 172 100.400 -8.898 5.715 1.00 0.00 H new ATOM 0 HD2 ARG A 172 101.102 -9.220 2.769 1.00 0.00 H new ATOM 0 HD3 ARG A 172 101.743 -10.183 4.086 1.00 0.00 H new ATOM 0 HE ARG A 172 99.266 -10.620 2.729 1.00 0.00 H new ATOM 0 HH11 ARG A 172 100.665 -10.624 5.971 1.00 0.00 H new ATOM 0 HH12 ARG A 172 99.503 -11.799 6.596 1.00 0.00 H new ATOM 0 HH21 ARG A 172 97.772 -12.121 3.543 1.00 0.00 H new ATOM 0 HH22 ARG A 172 97.873 -12.642 5.228 1.00 0.00 H new ATOM 1004 N ARG A 173 98.980 -4.806 3.557 1.00 0.00 N ATOM 1005 CA ARG A 173 98.176 -3.603 3.581 1.00 0.00 C ATOM 1006 C ARG A 173 98.083 -2.949 2.208 1.00 0.00 C ATOM 1007 O ARG A 173 96.988 -2.750 1.690 1.00 0.00 O ATOM 1008 CB ARG A 173 98.792 -2.624 4.574 1.00 0.00 C ATOM 1009 CG ARG A 173 98.272 -1.205 4.465 1.00 0.00 C ATOM 1010 CD ARG A 173 98.960 -0.288 5.465 1.00 0.00 C ATOM 1011 NE ARG A 173 100.412 -0.296 5.310 1.00 0.00 N ATOM 1012 CZ ARG A 173 101.234 0.422 6.068 1.00 0.00 C ATOM 1013 NH1 ARG A 173 100.747 1.204 7.022 1.00 0.00 N ATOM 1014 NH2 ARG A 173 102.544 0.357 5.875 1.00 0.00 N ATOM 0 H ARG A 173 99.810 -4.772 4.149 1.00 0.00 H new ATOM 0 HA ARG A 173 97.164 -3.874 3.881 1.00 0.00 H new ATOM 0 HB2 ARG A 173 98.608 -2.988 5.585 1.00 0.00 H new ATOM 0 HB3 ARG A 173 99.873 -2.613 4.431 1.00 0.00 H new ATOM 0 HG2 ARG A 173 98.435 -0.832 3.454 1.00 0.00 H new ATOM 0 HG3 ARG A 173 97.196 -1.195 4.639 1.00 0.00 H new ATOM 0 HD2 ARG A 173 98.588 0.729 5.339 1.00 0.00 H new ATOM 0 HD3 ARG A 173 98.702 -0.598 6.478 1.00 0.00 H new ATOM 0 HE ARG A 173 100.817 -0.884 4.581 1.00 0.00 H new ATOM 0 HH11 ARG A 173 99.740 1.255 7.175 1.00 0.00 H new ATOM 0 HH12 ARG A 173 101.380 1.754 7.603 1.00 0.00 H new ATOM 0 HH21 ARG A 173 102.923 -0.245 5.144 1.00 0.00 H new ATOM 0 HH22 ARG A 173 103.173 0.909 6.458 1.00 0.00 H new ATOM 1028 N PHE A 174 99.236 -2.634 1.618 1.00 0.00 N ATOM 1029 CA PHE A 174 99.276 -2.011 0.296 1.00 0.00 C ATOM 1030 C PHE A 174 98.547 -2.867 -0.707 1.00 0.00 C ATOM 1031 O PHE A 174 97.594 -2.425 -1.348 1.00 0.00 O ATOM 1032 CB PHE A 174 100.717 -1.815 -0.167 1.00 0.00 C ATOM 1033 CG PHE A 174 101.400 -0.644 0.489 1.00 0.00 C ATOM 1034 CD1 PHE A 174 101.369 -0.480 1.865 1.00 0.00 C ATOM 1035 CD2 PHE A 174 102.075 0.296 -0.277 1.00 0.00 C ATOM 1036 CE1 PHE A 174 101.994 0.595 2.462 1.00 0.00 C ATOM 1037 CE2 PHE A 174 102.701 1.373 0.316 1.00 0.00 C ATOM 1038 CZ PHE A 174 102.660 1.522 1.687 1.00 0.00 C ATOM 0 H PHE A 174 100.153 -2.800 2.034 1.00 0.00 H new ATOM 0 HA PHE A 174 98.790 -1.038 0.369 1.00 0.00 H new ATOM 0 HB2 PHE A 174 101.285 -2.722 0.042 1.00 0.00 H new ATOM 0 HB3 PHE A 174 100.728 -1.674 -1.248 1.00 0.00 H new ATOM 0 HD1 PHE A 174 100.849 -1.202 2.477 1.00 0.00 H new ATOM 0 HD2 PHE A 174 102.111 0.183 -1.350 1.00 0.00 H new ATOM 0 HE1 PHE A 174 101.962 0.711 3.535 1.00 0.00 H new ATOM 0 HE2 PHE A 174 103.222 2.098 -0.292 1.00 0.00 H new ATOM 0 HZ PHE A 174 103.149 2.364 2.154 1.00 0.00 H new ATOM 1048 N VAL A 175 98.996 -4.097 -0.831 1.00 0.00 N ATOM 1049 CA VAL A 175 98.388 -5.024 -1.752 1.00 0.00 C ATOM 1050 C VAL A 175 96.895 -5.140 -1.443 1.00 0.00 C ATOM 1051 O VAL A 175 96.058 -5.108 -2.342 1.00 0.00 O ATOM 1052 CB VAL A 175 99.071 -6.405 -1.685 1.00 0.00 C ATOM 1053 CG1 VAL A 175 98.713 -7.198 -2.914 1.00 0.00 C ATOM 1054 CG2 VAL A 175 100.596 -6.278 -1.593 1.00 0.00 C ATOM 0 H VAL A 175 99.782 -4.476 -0.303 1.00 0.00 H new ATOM 0 HA VAL A 175 98.516 -4.647 -2.767 1.00 0.00 H new ATOM 0 HB VAL A 175 98.718 -6.912 -0.787 1.00 0.00 H new ATOM 0 HG11 VAL A 175 99.194 -8.175 -2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 175 97.632 -7.328 -2.961 1.00 0.00 H new ATOM 0 HG13 VAL A 175 99.053 -6.666 -3.802 1.00 0.00 H new ATOM 0 HG21 VAL A 175 101.042 -7.272 -1.548 1.00 0.00 H new ATOM 0 HG22 VAL A 175 100.971 -5.752 -2.471 1.00 0.00 H new ATOM 0 HG23 VAL A 175 100.861 -5.720 -0.695 1.00 0.00 H new ATOM 1064 N ALA A 176 96.575 -5.251 -0.155 1.00 0.00 N ATOM 1065 CA ALA A 176 95.185 -5.341 0.294 1.00 0.00 C ATOM 1066 C ALA A 176 94.383 -4.143 -0.224 1.00 0.00 C ATOM 1067 O ALA A 176 93.273 -4.296 -0.733 1.00 0.00 O ATOM 1068 CB ALA A 176 95.127 -5.425 1.816 1.00 0.00 C ATOM 0 H ALA A 176 97.261 -5.281 0.599 1.00 0.00 H new ATOM 0 HA ALA A 176 94.738 -6.248 -0.112 1.00 0.00 H new ATOM 0 HB1 ALA A 176 94.088 -5.492 2.137 1.00 0.00 H new ATOM 0 HB2 ALA A 176 95.668 -6.309 2.152 1.00 0.00 H new ATOM 0 HB3 ALA A 176 95.584 -4.534 2.247 1.00 0.00 H new ATOM 1074 N LEU A 177 94.984 -2.958 -0.134 1.00 0.00 N ATOM 1075 CA LEU A 177 94.352 -1.734 -0.646 1.00 0.00 C ATOM 1076 C LEU A 177 93.987 -1.913 -2.100 1.00 0.00 C ATOM 1077 O LEU A 177 92.899 -1.535 -2.535 1.00 0.00 O ATOM 1078 CB LEU A 177 95.298 -0.545 -0.550 1.00 0.00 C ATOM 1079 CG LEU A 177 95.998 -0.409 0.779 1.00 0.00 C ATOM 1080 CD1 LEU A 177 96.695 0.938 0.883 1.00 0.00 C ATOM 1081 CD2 LEU A 177 95.016 -0.610 1.924 1.00 0.00 C ATOM 0 H LEU A 177 95.903 -2.815 0.285 1.00 0.00 H new ATOM 0 HA LEU A 177 93.465 -1.547 -0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 177 96.049 -0.630 -1.335 1.00 0.00 H new ATOM 0 HB3 LEU A 177 94.735 0.368 -0.745 1.00 0.00 H new ATOM 0 HG LEU A 177 96.760 -1.186 0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 177 97.194 1.016 1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 177 97.432 1.029 0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 177 95.959 1.737 0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 177 95.540 -0.508 2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 177 94.227 0.139 1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 177 94.577 -1.605 1.856 1.00 0.00 H new ATOM 1093 N MET A 178 94.902 -2.495 -2.848 1.00 0.00 N ATOM 1094 CA MET A 178 94.674 -2.730 -4.266 1.00 0.00 C ATOM 1095 C MET A 178 93.413 -3.558 -4.470 1.00 0.00 C ATOM 1096 O MET A 178 92.587 -3.248 -5.329 1.00 0.00 O ATOM 1097 CB MET A 178 95.872 -3.444 -4.887 1.00 0.00 C ATOM 1098 CG MET A 178 97.189 -2.745 -4.622 1.00 0.00 C ATOM 1099 SD MET A 178 98.603 -3.682 -5.224 1.00 0.00 S ATOM 1100 CE MET A 178 99.926 -2.870 -4.337 1.00 0.00 C ATOM 0 H MET A 178 95.807 -2.814 -2.503 1.00 0.00 H new ATOM 0 HA MET A 178 94.546 -1.766 -4.758 1.00 0.00 H new ATOM 0 HB2 MET A 178 95.923 -4.460 -4.496 1.00 0.00 H new ATOM 0 HB3 MET A 178 95.721 -3.523 -5.964 1.00 0.00 H new ATOM 0 HG2 MET A 178 97.178 -1.765 -5.098 1.00 0.00 H new ATOM 0 HG3 MET A 178 97.298 -2.578 -3.550 1.00 0.00 H new ATOM 0 HE1 MET A 178 100.798 -3.523 -4.307 1.00 0.00 H new ATOM 0 HE2 MET A 178 100.186 -1.940 -4.843 1.00 0.00 H new ATOM 0 HE3 MET A 178 99.601 -2.651 -3.320 1.00 0.00 H new ATOM 1110 N ASP A 179 93.275 -4.621 -3.685 1.00 0.00 N ATOM 1111 CA ASP A 179 92.121 -5.501 -3.792 1.00 0.00 C ATOM 1112 C ASP A 179 90.811 -4.732 -3.679 1.00 0.00 C ATOM 1113 O ASP A 179 89.879 -4.966 -4.449 1.00 0.00 O ATOM 1114 CB ASP A 179 92.169 -6.570 -2.706 1.00 0.00 C ATOM 1115 CG ASP A 179 93.340 -7.520 -2.876 1.00 0.00 C ATOM 1116 OD1 ASP A 179 93.413 -8.188 -3.929 1.00 0.00 O ATOM 1117 OD2 ASP A 179 94.181 -7.596 -1.957 1.00 0.00 O ATOM 0 H ASP A 179 93.948 -4.893 -2.969 1.00 0.00 H new ATOM 0 HA ASP A 179 92.162 -5.968 -4.776 1.00 0.00 H new ATOM 0 HB2 ASP A 179 92.234 -6.089 -1.730 1.00 0.00 H new ATOM 0 HB3 ASP A 179 91.239 -7.139 -2.719 1.00 0.00 H new ATOM 1122 N ALA A 180 90.736 -3.817 -2.716 1.00 0.00 N ATOM 1123 CA ALA A 180 89.524 -3.033 -2.524 1.00 0.00 C ATOM 1124 C ALA A 180 89.275 -2.145 -3.731 1.00 0.00 C ATOM 1125 O ALA A 180 88.149 -1.712 -3.979 1.00 0.00 O ATOM 1126 CB ALA A 180 89.625 -2.197 -1.256 1.00 0.00 C ATOM 0 H ALA A 180 91.491 -3.603 -2.065 1.00 0.00 H new ATOM 0 HA ALA A 180 88.681 -3.716 -2.417 1.00 0.00 H new ATOM 0 HB1 ALA A 180 88.711 -1.618 -1.128 1.00 0.00 H new ATOM 0 HB2 ALA A 180 89.761 -2.854 -0.397 1.00 0.00 H new ATOM 0 HB3 ALA A 180 90.476 -1.520 -1.333 1.00 0.00 H new ATOM 1132 N GLY A 181 90.336 -1.883 -4.484 1.00 0.00 N ATOM 1133 CA GLY A 181 90.223 -1.054 -5.667 1.00 0.00 C ATOM 1134 C GLY A 181 90.260 0.431 -5.361 1.00 0.00 C ATOM 1135 O GLY A 181 89.611 1.220 -6.047 1.00 0.00 O ATOM 0 H GLY A 181 91.276 -2.232 -4.295 1.00 0.00 H new ATOM 0 HA2 GLY A 181 91.035 -1.298 -6.352 1.00 0.00 H new ATOM 0 HA3 GLY A 181 89.291 -1.290 -6.180 1.00 0.00 H new ATOM 1139 N GLU A 182 91.024 0.826 -4.339 1.00 0.00 N ATOM 1140 CA GLU A 182 91.128 2.238 -3.982 1.00 0.00 C ATOM 1141 C GLU A 182 92.394 2.850 -4.589 1.00 0.00 C ATOM 1142 O GLU A 182 93.474 2.273 -4.476 1.00 0.00 O ATOM 1143 CB GLU A 182 91.131 2.416 -2.459 1.00 0.00 C ATOM 1144 CG GLU A 182 92.326 1.795 -1.756 1.00 0.00 C ATOM 1145 CD GLU A 182 92.295 2.039 -0.260 1.00 0.00 C ATOM 1146 OE1 GLU A 182 91.319 2.653 0.221 1.00 0.00 O ATOM 1147 OE2 GLU A 182 93.245 1.619 0.432 1.00 0.00 O ATOM 0 H GLU A 182 91.572 0.196 -3.753 1.00 0.00 H new ATOM 0 HA GLU A 182 90.259 2.756 -4.387 1.00 0.00 H new ATOM 0 HB2 GLU A 182 91.104 3.481 -2.230 1.00 0.00 H new ATOM 0 HB3 GLU A 182 90.219 1.979 -2.053 1.00 0.00 H new ATOM 0 HG2 GLU A 182 92.342 0.722 -1.948 1.00 0.00 H new ATOM 0 HG3 GLU A 182 93.246 2.207 -2.172 1.00 0.00 H new ATOM 1154 N PRO A 183 92.292 4.024 -5.253 1.00 0.00 N ATOM 1155 CA PRO A 183 93.458 4.666 -5.867 1.00 0.00 C ATOM 1156 C PRO A 183 94.617 4.813 -4.890 1.00 0.00 C ATOM 1157 O PRO A 183 94.429 4.810 -3.673 1.00 0.00 O ATOM 1158 CB PRO A 183 92.947 6.037 -6.308 1.00 0.00 C ATOM 1159 CG PRO A 183 91.467 5.885 -6.430 1.00 0.00 C ATOM 1160 CD PRO A 183 91.056 4.803 -5.462 1.00 0.00 C ATOM 0 HA PRO A 183 93.852 4.072 -6.692 1.00 0.00 H new ATOM 0 HB2 PRO A 183 93.205 6.806 -5.580 1.00 0.00 H new ATOM 0 HB3 PRO A 183 93.391 6.336 -7.257 1.00 0.00 H new ATOM 0 HG2 PRO A 183 90.962 6.823 -6.198 1.00 0.00 H new ATOM 0 HG3 PRO A 183 91.189 5.617 -7.449 1.00 0.00 H new ATOM 0 HD2 PRO A 183 90.686 5.223 -4.527 1.00 0.00 H new ATOM 0 HD3 PRO A 183 90.258 4.183 -5.871 1.00 0.00 H new ATOM 1168 N ALA A 184 95.820 4.907 -5.442 1.00 0.00 N ATOM 1169 CA ALA A 184 97.032 5.014 -4.639 1.00 0.00 C ATOM 1170 C ALA A 184 97.106 6.320 -3.847 1.00 0.00 C ATOM 1171 O ALA A 184 97.873 6.412 -2.892 1.00 0.00 O ATOM 1172 CB ALA A 184 98.269 4.841 -5.523 1.00 0.00 C ATOM 0 H ALA A 184 95.983 4.911 -6.449 1.00 0.00 H new ATOM 0 HA ALA A 184 97.001 4.210 -3.904 1.00 0.00 H new ATOM 0 HB1 ALA A 184 99.168 4.923 -4.911 1.00 0.00 H new ATOM 0 HB2 ALA A 184 98.242 3.861 -5.999 1.00 0.00 H new ATOM 0 HB3 ALA A 184 98.280 5.616 -6.289 1.00 0.00 H new ATOM 1178 N ASP A 185 96.321 7.329 -4.224 1.00 0.00 N ATOM 1179 CA ASP A 185 96.341 8.606 -3.508 1.00 0.00 C ATOM 1180 C ASP A 185 95.156 8.724 -2.555 1.00 0.00 C ATOM 1181 O ASP A 185 94.862 9.805 -2.044 1.00 0.00 O ATOM 1182 CB ASP A 185 96.334 9.773 -4.498 1.00 0.00 C ATOM 1183 CG ASP A 185 96.193 11.116 -3.811 1.00 0.00 C ATOM 1184 OD1 ASP A 185 97.022 11.423 -2.929 1.00 0.00 O ATOM 1185 OD2 ASP A 185 95.252 11.863 -4.153 1.00 0.00 O ATOM 0 H ASP A 185 95.672 7.290 -5.010 1.00 0.00 H new ATOM 0 HA ASP A 185 97.257 8.643 -2.919 1.00 0.00 H new ATOM 0 HB2 ASP A 185 97.258 9.760 -5.077 1.00 0.00 H new ATOM 0 HB3 ASP A 185 95.514 9.642 -5.204 1.00 0.00 H new ATOM 1190 N SER A 186 94.487 7.605 -2.304 1.00 0.00 N ATOM 1191 CA SER A 186 93.352 7.589 -1.399 1.00 0.00 C ATOM 1192 C SER A 186 93.841 7.651 0.038 1.00 0.00 C ATOM 1193 O SER A 186 95.015 7.406 0.311 1.00 0.00 O ATOM 1194 CB SER A 186 92.511 6.328 -1.615 1.00 0.00 C ATOM 1195 OG SER A 186 91.399 6.300 -0.740 1.00 0.00 O ATOM 0 H SER A 186 94.713 6.700 -2.716 1.00 0.00 H new ATOM 0 HA SER A 186 92.727 8.459 -1.603 1.00 0.00 H new ATOM 0 HB2 SER A 186 92.166 6.290 -2.648 1.00 0.00 H new ATOM 0 HB3 SER A 186 93.128 5.444 -1.453 1.00 0.00 H new ATOM 0 HG SER A 186 90.878 5.486 -0.900 1.00 0.00 H new ATOM 1201 N GLU A 187 92.950 7.991 0.954 1.00 0.00 N ATOM 1202 CA GLU A 187 93.321 8.094 2.359 1.00 0.00 C ATOM 1203 C GLU A 187 94.091 6.852 2.793 1.00 0.00 C ATOM 1204 O GLU A 187 95.203 6.944 3.312 1.00 0.00 O ATOM 1205 CB GLU A 187 92.072 8.264 3.227 1.00 0.00 C ATOM 1206 CG GLU A 187 91.261 9.505 2.891 1.00 0.00 C ATOM 1207 CD GLU A 187 90.032 9.653 3.766 1.00 0.00 C ATOM 1208 OE1 GLU A 187 89.175 8.745 3.743 1.00 0.00 O ATOM 1209 OE2 GLU A 187 89.926 10.676 4.473 1.00 0.00 O ATOM 0 H GLU A 187 91.972 8.199 0.755 1.00 0.00 H new ATOM 0 HA GLU A 187 93.960 8.968 2.486 1.00 0.00 H new ATOM 0 HB2 GLU A 187 91.438 7.384 3.113 1.00 0.00 H new ATOM 0 HB3 GLU A 187 92.371 8.308 4.274 1.00 0.00 H new ATOM 0 HG2 GLU A 187 91.891 10.387 3.003 1.00 0.00 H new ATOM 0 HG3 GLU A 187 90.955 9.463 1.846 1.00 0.00 H new ATOM 1216 N GLY A 188 93.481 5.695 2.570 1.00 0.00 N ATOM 1217 CA GLY A 188 94.105 4.437 2.934 1.00 0.00 C ATOM 1218 C GLY A 188 95.460 4.243 2.279 1.00 0.00 C ATOM 1219 O GLY A 188 96.389 3.733 2.900 1.00 0.00 O ATOM 0 H GLY A 188 92.560 5.605 2.141 1.00 0.00 H new ATOM 0 HA2 GLY A 188 94.220 4.394 4.017 1.00 0.00 H new ATOM 0 HA3 GLY A 188 93.448 3.615 2.650 1.00 0.00 H new ATOM 1223 N ALA A 189 95.566 4.623 1.011 1.00 0.00 N ATOM 1224 CA ALA A 189 96.812 4.465 0.269 1.00 0.00 C ATOM 1225 C ALA A 189 97.883 5.443 0.724 1.00 0.00 C ATOM 1226 O ALA A 189 99.011 5.047 1.016 1.00 0.00 O ATOM 1227 CB ALA A 189 96.562 4.646 -1.214 1.00 0.00 C ATOM 0 H ALA A 189 94.806 5.042 0.476 1.00 0.00 H new ATOM 0 HA ALA A 189 97.176 3.457 0.467 1.00 0.00 H new ATOM 0 HB1 ALA A 189 97.499 4.526 -1.758 1.00 0.00 H new ATOM 0 HB2 ALA A 189 95.845 3.899 -1.556 1.00 0.00 H new ATOM 0 HB3 ALA A 189 96.162 5.643 -1.396 1.00 0.00 H new ATOM 1233 N MET A 190 97.539 6.720 0.764 1.00 0.00 N ATOM 1234 CA MET A 190 98.475 7.746 1.158 1.00 0.00 C ATOM 1235 C MET A 190 99.026 7.498 2.562 1.00 0.00 C ATOM 1236 O MET A 190 100.240 7.527 2.764 1.00 0.00 O ATOM 1237 CB MET A 190 97.785 9.104 1.049 1.00 0.00 C ATOM 1238 CG MET A 190 98.295 10.139 2.017 1.00 0.00 C ATOM 1239 SD MET A 190 97.353 11.673 1.941 1.00 0.00 S ATOM 1240 CE MET A 190 95.710 11.066 2.319 1.00 0.00 C ATOM 0 H MET A 190 96.610 7.067 0.525 1.00 0.00 H new ATOM 0 HA MET A 190 99.336 7.727 0.490 1.00 0.00 H new ATOM 0 HB2 MET A 190 97.909 9.481 0.034 1.00 0.00 H new ATOM 0 HB3 MET A 190 96.715 8.969 1.210 1.00 0.00 H new ATOM 0 HG2 MET A 190 98.251 9.738 3.030 1.00 0.00 H new ATOM 0 HG3 MET A 190 99.343 10.348 1.802 1.00 0.00 H new ATOM 0 HE1 MET A 190 95.107 11.878 2.726 1.00 0.00 H new ATOM 0 HE2 MET A 190 95.243 10.688 1.409 1.00 0.00 H new ATOM 0 HE3 MET A 190 95.779 10.262 3.052 1.00 0.00 H new ATOM 1250 N ASP A 191 98.150 7.239 3.533 1.00 0.00 N ATOM 1251 CA ASP A 191 98.619 6.976 4.889 1.00 0.00 C ATOM 1252 C ASP A 191 99.565 5.786 4.857 1.00 0.00 C ATOM 1253 O ASP A 191 100.628 5.805 5.475 1.00 0.00 O ATOM 1254 CB ASP A 191 97.460 6.719 5.856 1.00 0.00 C ATOM 1255 CG ASP A 191 96.761 5.407 5.588 1.00 0.00 C ATOM 1256 OD1 ASP A 191 96.224 5.245 4.480 1.00 0.00 O ATOM 1257 OD2 ASP A 191 96.750 4.542 6.489 1.00 0.00 O ATOM 0 H ASP A 191 97.138 7.206 3.410 1.00 0.00 H new ATOM 0 HA ASP A 191 99.142 7.859 5.255 1.00 0.00 H new ATOM 0 HB2 ASP A 191 97.837 6.723 6.879 1.00 0.00 H new ATOM 0 HB3 ASP A 191 96.739 7.533 5.778 1.00 0.00 H new ATOM 1262 N ALA A 192 99.189 4.763 4.092 1.00 0.00 N ATOM 1263 CA ALA A 192 100.036 3.587 3.944 1.00 0.00 C ATOM 1264 C ALA A 192 101.411 4.022 3.461 1.00 0.00 C ATOM 1265 O ALA A 192 102.433 3.604 4.002 1.00 0.00 O ATOM 1266 CB ALA A 192 99.409 2.591 2.977 1.00 0.00 C ATOM 0 H ALA A 192 98.313 4.726 3.571 1.00 0.00 H new ATOM 0 HA ALA A 192 100.137 3.089 4.908 1.00 0.00 H new ATOM 0 HB1 ALA A 192 100.057 1.720 2.881 1.00 0.00 H new ATOM 0 HB2 ALA A 192 98.436 2.279 3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 192 99.284 3.060 2.001 1.00 0.00 H new ATOM 1272 N ALA A 193 101.431 4.893 2.457 1.00 0.00 N ATOM 1273 CA ALA A 193 102.688 5.405 1.937 1.00 0.00 C ATOM 1274 C ALA A 193 103.438 6.111 3.058 1.00 0.00 C ATOM 1275 O ALA A 193 104.636 5.902 3.243 1.00 0.00 O ATOM 1276 CB ALA A 193 102.450 6.338 0.756 1.00 0.00 C ATOM 0 H ALA A 193 100.598 5.255 1.993 1.00 0.00 H new ATOM 0 HA ALA A 193 103.293 4.576 1.571 1.00 0.00 H new ATOM 0 HB1 ALA A 193 103.406 6.707 0.386 1.00 0.00 H new ATOM 0 HB2 ALA A 193 101.938 5.796 -0.039 1.00 0.00 H new ATOM 0 HB3 ALA A 193 101.835 7.180 1.075 1.00 0.00 H new ATOM 1282 N GLU A 194 102.720 6.930 3.820 1.00 0.00 N ATOM 1283 CA GLU A 194 103.323 7.636 4.938 1.00 0.00 C ATOM 1284 C GLU A 194 103.899 6.623 5.920 1.00 0.00 C ATOM 1285 O GLU A 194 104.973 6.827 6.482 1.00 0.00 O ATOM 1286 CB GLU A 194 102.286 8.545 5.623 1.00 0.00 C ATOM 1287 CG GLU A 194 101.937 8.150 7.053 1.00 0.00 C ATOM 1288 CD GLU A 194 103.101 8.324 8.010 1.00 0.00 C ATOM 1289 OE1 GLU A 194 103.583 9.467 8.157 1.00 0.00 O ATOM 1290 OE2 GLU A 194 103.528 7.318 8.615 1.00 0.00 O ATOM 0 H GLU A 194 101.727 7.118 3.683 1.00 0.00 H new ATOM 0 HA GLU A 194 104.130 8.272 4.575 1.00 0.00 H new ATOM 0 HB2 GLU A 194 102.664 9.567 5.625 1.00 0.00 H new ATOM 0 HB3 GLU A 194 101.373 8.544 5.027 1.00 0.00 H new ATOM 0 HG2 GLU A 194 101.096 8.752 7.397 1.00 0.00 H new ATOM 0 HG3 GLU A 194 101.611 7.110 7.069 1.00 0.00 H new ATOM 1297 N ASP A 195 103.183 5.516 6.104 1.00 0.00 N ATOM 1298 CA ASP A 195 103.638 4.467 6.999 1.00 0.00 C ATOM 1299 C ASP A 195 104.960 3.893 6.504 1.00 0.00 C ATOM 1300 O ASP A 195 105.829 3.533 7.300 1.00 0.00 O ATOM 1301 CB ASP A 195 102.587 3.361 7.126 1.00 0.00 C ATOM 1302 CG ASP A 195 101.306 3.856 7.767 1.00 0.00 C ATOM 1303 OD1 ASP A 195 101.364 4.331 8.920 1.00 0.00 O ATOM 1304 OD2 ASP A 195 100.243 3.770 7.116 1.00 0.00 O ATOM 0 H ASP A 195 102.291 5.327 5.646 1.00 0.00 H new ATOM 0 HA ASP A 195 103.790 4.901 7.987 1.00 0.00 H new ATOM 0 HB2 ASP A 195 102.364 2.959 6.138 1.00 0.00 H new ATOM 0 HB3 ASP A 195 102.994 2.542 7.719 1.00 0.00 H new ATOM 1309 N HIS A 196 105.110 3.815 5.182 1.00 0.00 N ATOM 1310 CA HIS A 196 106.314 3.298 4.578 1.00 0.00 C ATOM 1311 C HIS A 196 107.455 4.271 4.805 1.00 0.00 C ATOM 1312 O HIS A 196 108.533 3.893 5.255 1.00 0.00 O ATOM 1313 CB HIS A 196 106.096 3.100 3.074 1.00 0.00 C ATOM 1314 CG HIS A 196 107.267 2.486 2.393 1.00 0.00 C ATOM 1315 ND1 HIS A 196 107.366 2.416 1.025 1.00 0.00 N ATOM 1316 CD2 HIS A 196 108.345 1.913 2.950 1.00 0.00 C ATOM 1317 CE1 HIS A 196 108.511 1.799 0.783 1.00 0.00 C ATOM 1318 NE2 HIS A 196 109.142 1.474 1.923 1.00 0.00 N ATOM 0 H HIS A 196 104.399 4.109 4.513 1.00 0.00 H new ATOM 0 HA HIS A 196 106.561 2.339 5.033 1.00 0.00 H new ATOM 0 HB2 HIS A 196 105.221 2.469 2.919 1.00 0.00 H new ATOM 0 HB3 HIS A 196 105.879 4.064 2.614 1.00 0.00 H new ATOM 0 HD2 HIS A 196 108.547 1.816 4.006 1.00 0.00 H new ATOM 0 HE1 HIS A 196 108.890 1.584 -0.205 1.00 0.00 H new ATOM 0 HE2 HIS A 196 110.038 0.995 2.009 1.00 0.00 H new ATOM 1326 N ARG A 197 107.191 5.531 4.485 1.00 0.00 N ATOM 1327 CA ARG A 197 108.170 6.596 4.637 1.00 0.00 C ATOM 1328 C ARG A 197 108.815 6.565 6.017 1.00 0.00 C ATOM 1329 O ARG A 197 110.008 6.292 6.152 1.00 0.00 O ATOM 1330 CB ARG A 197 107.491 7.946 4.418 1.00 0.00 C ATOM 1331 CG ARG A 197 108.476 9.103 4.327 1.00 0.00 C ATOM 1332 CD ARG A 197 107.791 10.442 4.079 1.00 0.00 C ATOM 1333 NE ARG A 197 107.317 10.585 2.703 1.00 0.00 N ATOM 1334 CZ ARG A 197 106.166 10.096 2.256 1.00 0.00 C ATOM 1335 NH1 ARG A 197 105.336 9.484 3.084 1.00 0.00 N ATOM 1336 NH2 ARG A 197 105.834 10.240 0.981 1.00 0.00 N ATOM 0 H ARG A 197 106.293 5.842 4.113 1.00 0.00 H new ATOM 0 HA ARG A 197 108.954 6.447 3.894 1.00 0.00 H new ATOM 0 HB2 ARG A 197 106.902 7.905 3.502 1.00 0.00 H new ATOM 0 HB3 ARG A 197 106.795 8.133 5.236 1.00 0.00 H new ATOM 0 HG2 ARG A 197 109.050 9.159 5.252 1.00 0.00 H new ATOM 0 HG3 ARG A 197 109.185 8.908 3.523 1.00 0.00 H new ATOM 0 HD2 ARG A 197 106.948 10.547 4.762 1.00 0.00 H new ATOM 0 HD3 ARG A 197 108.487 11.250 4.305 1.00 0.00 H new ATOM 0 HE ARG A 197 107.908 11.093 2.045 1.00 0.00 H new ATOM 0 HH11 ARG A 197 105.579 9.386 4.070 1.00 0.00 H new ATOM 0 HH12 ARG A 197 104.453 9.110 2.737 1.00 0.00 H new ATOM 0 HH21 ARG A 197 106.463 10.727 0.342 1.00 0.00 H new ATOM 0 HH22 ARG A 197 104.950 9.864 0.639 1.00 0.00 H new ATOM 1350 N GLN A 198 108.018 6.852 7.037 1.00 0.00 N ATOM 1351 CA GLN A 198 108.506 6.863 8.409 1.00 0.00 C ATOM 1352 C GLN A 198 109.079 5.509 8.802 1.00 0.00 C ATOM 1353 O GLN A 198 110.005 5.428 9.607 1.00 0.00 O ATOM 1354 CB GLN A 198 107.380 7.254 9.365 1.00 0.00 C ATOM 1355 CG GLN A 198 107.041 8.732 9.326 1.00 0.00 C ATOM 1356 CD GLN A 198 106.682 9.222 7.938 1.00 0.00 C ATOM 1357 OE1 GLN A 198 105.697 8.785 7.347 1.00 0.00 O ATOM 1358 NE2 GLN A 198 107.486 10.137 7.408 1.00 0.00 N ATOM 0 H GLN A 198 107.029 7.081 6.940 1.00 0.00 H new ATOM 0 HA GLN A 198 109.306 7.601 8.476 1.00 0.00 H new ATOM 0 HB2 GLN A 198 106.488 6.678 9.119 1.00 0.00 H new ATOM 0 HB3 GLN A 198 107.665 6.981 10.381 1.00 0.00 H new ATOM 0 HG2 GLN A 198 106.207 8.925 10.000 1.00 0.00 H new ATOM 0 HG3 GLN A 198 107.891 9.304 9.698 1.00 0.00 H new ATOM 0 HE21 GLN A 198 108.293 10.472 7.934 1.00 0.00 H new ATOM 0 HE22 GLN A 198 107.296 10.504 6.476 1.00 0.00 H new ATOM 1367 N GLY A 199 108.527 4.446 8.233 1.00 0.00 N ATOM 1368 CA GLY A 199 109.001 3.109 8.543 1.00 0.00 C ATOM 1369 C GLY A 199 110.386 2.830 7.990 1.00 0.00 C ATOM 1370 O GLY A 199 111.238 2.282 8.690 1.00 0.00 O ATOM 0 H GLY A 199 107.760 4.484 7.562 1.00 0.00 H new ATOM 0 HA2 GLY A 199 109.014 2.975 9.625 1.00 0.00 H new ATOM 0 HA3 GLY A 199 108.300 2.378 8.140 1.00 0.00 H new ATOM 1374 N ILE A 200 110.618 3.206 6.735 1.00 0.00 N ATOM 1375 CA ILE A 200 111.915 2.988 6.106 1.00 0.00 C ATOM 1376 C ILE A 200 112.941 3.984 6.634 1.00 0.00 C ATOM 1377 O ILE A 200 114.142 3.774 6.519 1.00 0.00 O ATOM 1378 CB ILE A 200 111.833 3.051 4.554 1.00 0.00 C ATOM 1379 CG1 ILE A 200 113.186 2.715 3.914 1.00 0.00 C ATOM 1380 CG2 ILE A 200 111.340 4.402 4.067 1.00 0.00 C ATOM 1381 CD1 ILE A 200 114.191 3.851 3.926 1.00 0.00 C ATOM 0 H ILE A 200 109.928 3.661 6.137 1.00 0.00 H new ATOM 0 HA ILE A 200 112.237 1.980 6.369 1.00 0.00 H new ATOM 0 HB ILE A 200 111.106 2.300 4.244 1.00 0.00 H new ATOM 0 HG12 ILE A 200 113.617 1.861 4.436 1.00 0.00 H new ATOM 0 HG13 ILE A 200 113.018 2.407 2.882 1.00 0.00 H new ATOM 0 HG21 ILE A 200 111.298 4.403 2.978 1.00 0.00 H new ATOM 0 HG22 ILE A 200 110.345 4.593 4.469 1.00 0.00 H new ATOM 0 HG23 ILE A 200 112.023 5.182 4.404 1.00 0.00 H new ATOM 0 HD11 ILE A 200 115.117 3.523 3.454 1.00 0.00 H new ATOM 0 HD12 ILE A 200 113.785 4.701 3.378 1.00 0.00 H new ATOM 0 HD13 ILE A 200 114.394 4.146 4.955 1.00 0.00 H new ATOM 1393 N ALA A 201 112.456 5.076 7.214 1.00 0.00 N ATOM 1394 CA ALA A 201 113.329 6.114 7.758 1.00 0.00 C ATOM 1395 C ALA A 201 113.927 5.726 9.117 1.00 0.00 C ATOM 1396 O ALA A 201 115.126 5.892 9.338 1.00 0.00 O ATOM 1397 CB ALA A 201 112.567 7.427 7.861 1.00 0.00 C ATOM 0 H ALA A 201 111.460 5.267 7.321 1.00 0.00 H new ATOM 0 HA ALA A 201 114.167 6.233 7.071 1.00 0.00 H new ATOM 0 HB1 ALA A 201 113.223 8.197 8.267 1.00 0.00 H new ATOM 0 HB2 ALA A 201 112.224 7.727 6.871 1.00 0.00 H new ATOM 0 HB3 ALA A 201 111.708 7.298 8.519 1.00 0.00 H new ATOM 1403 N ARG A 202 113.098 5.217 10.024 1.00 0.00 N ATOM 1404 CA ARG A 202 113.565 4.821 11.355 1.00 0.00 C ATOM 1405 C ARG A 202 114.388 3.540 11.303 1.00 0.00 C ATOM 1406 O ARG A 202 115.174 3.257 12.207 1.00 0.00 O ATOM 1407 CB ARG A 202 112.379 4.614 12.300 1.00 0.00 C ATOM 1408 CG ARG A 202 111.536 5.860 12.513 1.00 0.00 C ATOM 1409 CD ARG A 202 110.552 5.672 13.659 1.00 0.00 C ATOM 1410 NE ARG A 202 109.731 4.475 13.492 1.00 0.00 N ATOM 1411 CZ ARG A 202 108.868 4.304 12.497 1.00 0.00 C ATOM 1412 NH1 ARG A 202 108.694 5.259 11.595 1.00 0.00 N ATOM 1413 NH2 ARG A 202 108.173 3.178 12.407 1.00 0.00 N ATOM 0 H ARG A 202 112.101 5.068 9.865 1.00 0.00 H new ATOM 0 HA ARG A 202 114.197 5.627 11.727 1.00 0.00 H new ATOM 0 HB2 ARG A 202 111.745 3.822 11.903 1.00 0.00 H new ATOM 0 HB3 ARG A 202 112.752 4.270 13.265 1.00 0.00 H new ATOM 0 HG2 ARG A 202 112.186 6.710 12.724 1.00 0.00 H new ATOM 0 HG3 ARG A 202 110.992 6.094 11.598 1.00 0.00 H new ATOM 0 HD2 ARG A 202 111.100 5.606 14.599 1.00 0.00 H new ATOM 0 HD3 ARG A 202 109.906 6.547 13.728 1.00 0.00 H new ATOM 0 HE ARG A 202 109.826 3.727 14.179 1.00 0.00 H new ATOM 0 HH11 ARG A 202 109.224 6.128 11.664 1.00 0.00 H new ATOM 0 HH12 ARG A 202 108.031 5.125 10.832 1.00 0.00 H new ATOM 0 HH21 ARG A 202 108.301 2.443 13.102 1.00 0.00 H new ATOM 0 HH22 ARG A 202 107.510 3.047 11.643 1.00 0.00 H new ATOM 1427 N ASN A 203 114.186 2.759 10.255 1.00 0.00 N ATOM 1428 CA ASN A 203 114.887 1.492 10.091 1.00 0.00 C ATOM 1429 C ASN A 203 116.120 1.620 9.201 1.00 0.00 C ATOM 1430 O ASN A 203 116.735 0.615 8.843 1.00 0.00 O ATOM 1431 CB ASN A 203 113.924 0.453 9.512 1.00 0.00 C ATOM 1432 CG ASN A 203 113.710 0.604 8.017 1.00 0.00 C ATOM 1433 OD1 ASN A 203 113.037 -0.216 7.392 1.00 0.00 O ATOM 1434 ND2 ASN A 203 114.269 1.656 7.435 1.00 0.00 N ATOM 0 H ASN A 203 113.538 2.980 9.499 1.00 0.00 H new ATOM 0 HA ASN A 203 115.237 1.174 11.073 1.00 0.00 H new ATOM 0 HB2 ASN A 203 114.310 -0.545 9.718 1.00 0.00 H new ATOM 0 HB3 ASN A 203 112.963 0.535 10.020 1.00 0.00 H new ATOM 0 HD21 ASN A 203 114.149 1.809 6.434 1.00 0.00 H new ATOM 0 HD22 ASN A 203 114.819 2.312 7.989 1.00 0.00 H new ATOM 1441 N HIS A 204 116.478 2.845 8.829 1.00 0.00 N ATOM 1442 CA HIS A 204 117.636 3.055 7.965 1.00 0.00 C ATOM 1443 C HIS A 204 118.384 4.350 8.283 1.00 0.00 C ATOM 1444 O HIS A 204 119.462 4.307 8.859 1.00 0.00 O ATOM 1445 CB HIS A 204 117.199 3.022 6.499 1.00 0.00 C ATOM 1446 CG HIS A 204 117.386 1.683 5.852 1.00 0.00 C ATOM 1447 ND1 HIS A 204 118.640 1.164 5.638 1.00 0.00 N ATOM 1448 CD2 HIS A 204 116.461 0.801 5.405 1.00 0.00 C ATOM 1449 CE1 HIS A 204 118.454 -0.013 5.070 1.00 0.00 C ATOM 1450 NE2 HIS A 204 117.148 -0.277 4.908 1.00 0.00 N ATOM 0 H HIS A 204 115.991 3.697 9.107 1.00 0.00 H new ATOM 0 HA HIS A 204 118.338 2.243 8.154 1.00 0.00 H new ATOM 0 HB2 HIS A 204 116.148 3.305 6.434 1.00 0.00 H new ATOM 0 HB3 HIS A 204 117.765 3.769 5.942 1.00 0.00 H new ATOM 0 HD2 HIS A 204 115.388 0.923 5.434 1.00 0.00 H new ATOM 0 HE1 HIS A 204 119.251 -0.679 4.773 1.00 0.00 H new ATOM 0 HE2 HIS A 204 116.744 -1.118 4.495 1.00 0.00 H new ATOM 1458 N TYR A 205 117.832 5.494 7.884 1.00 0.00 N ATOM 1459 CA TYR A 205 118.490 6.781 8.118 1.00 0.00 C ATOM 1460 C TYR A 205 117.506 7.927 7.957 1.00 0.00 C ATOM 1461 O TYR A 205 117.435 8.554 6.901 1.00 0.00 O ATOM 1462 CB TYR A 205 119.657 6.933 7.141 1.00 0.00 C ATOM 1463 CG TYR A 205 119.425 6.170 5.864 1.00 0.00 C ATOM 1464 CD1 TYR A 205 118.632 6.686 4.848 1.00 0.00 C ATOM 1465 CD2 TYR A 205 119.965 4.905 5.698 1.00 0.00 C ATOM 1466 CE1 TYR A 205 118.387 5.960 3.701 1.00 0.00 C ATOM 1467 CE2 TYR A 205 119.731 4.176 4.553 1.00 0.00 C ATOM 1468 CZ TYR A 205 118.939 4.707 3.559 1.00 0.00 C ATOM 1469 OH TYR A 205 118.691 3.979 2.424 1.00 0.00 O ATOM 0 H TYR A 205 116.936 5.558 7.400 1.00 0.00 H new ATOM 0 HA TYR A 205 118.868 6.809 9.140 1.00 0.00 H new ATOM 0 HB2 TYR A 205 119.803 7.989 6.911 1.00 0.00 H new ATOM 0 HB3 TYR A 205 120.574 6.580 7.613 1.00 0.00 H new ATOM 0 HD1 TYR A 205 118.201 7.670 4.957 1.00 0.00 H new ATOM 0 HD2 TYR A 205 120.580 4.483 6.479 1.00 0.00 H new ATOM 0 HE1 TYR A 205 117.766 6.372 2.919 1.00 0.00 H new ATOM 0 HE2 TYR A 205 120.166 3.194 4.435 1.00 0.00 H new ATOM 0 HH TYR A 205 119.282 3.198 2.401 1.00 0.00 H new ATOM 1479 N ASP A 206 116.746 8.181 9.010 1.00 0.00 N ATOM 1480 CA ASP A 206 115.735 9.237 9.014 1.00 0.00 C ATOM 1481 C ASP A 206 115.403 9.689 7.590 1.00 0.00 C ATOM 1482 O ASP A 206 115.473 10.876 7.271 1.00 0.00 O ATOM 1483 CB ASP A 206 116.217 10.419 9.848 1.00 0.00 C ATOM 1484 CG ASP A 206 115.206 11.547 9.897 1.00 0.00 C ATOM 1485 OD1 ASP A 206 114.129 11.407 9.279 1.00 0.00 O ATOM 1486 OD2 ASP A 206 115.490 12.572 10.552 1.00 0.00 O ATOM 0 H ASP A 206 116.809 7.664 9.887 1.00 0.00 H new ATOM 0 HA ASP A 206 114.824 8.836 9.459 1.00 0.00 H new ATOM 0 HB2 ASP A 206 116.429 10.081 10.862 1.00 0.00 H new ATOM 0 HB3 ASP A 206 117.154 10.793 9.435 1.00 0.00 H new ATOM 1491 N CYS A 207 115.065 8.726 6.736 1.00 0.00 N ATOM 1492 CA CYS A 207 114.747 9.004 5.339 1.00 0.00 C ATOM 1493 C CYS A 207 113.640 10.045 5.205 1.00 0.00 C ATOM 1494 O CYS A 207 112.520 9.845 5.677 1.00 0.00 O ATOM 1495 CB CYS A 207 114.347 7.710 4.621 1.00 0.00 C ATOM 1496 SG CYS A 207 115.658 6.467 4.582 1.00 0.00 S ATOM 0 H CYS A 207 115.004 7.740 6.990 1.00 0.00 H new ATOM 0 HA CYS A 207 115.642 9.414 4.872 1.00 0.00 H new ATOM 0 HB2 CYS A 207 113.472 7.287 5.114 1.00 0.00 H new ATOM 0 HB3 CYS A 207 114.053 7.948 3.599 1.00 0.00 H new ATOM 0 HG CYS A 207 116.763 7.015 4.172 1.00 0.00 H new ATOM 1502 N GLY A 208 113.967 11.156 4.548 1.00 0.00 N ATOM 1503 CA GLY A 208 112.999 12.219 4.346 1.00 0.00 C ATOM 1504 C GLY A 208 112.057 11.922 3.196 1.00 0.00 C ATOM 1505 O GLY A 208 112.184 10.890 2.537 1.00 0.00 O ATOM 0 H GLY A 208 114.889 11.338 4.151 1.00 0.00 H new ATOM 0 HA2 GLY A 208 112.422 12.361 5.259 1.00 0.00 H new ATOM 0 HA3 GLY A 208 113.524 13.154 4.152 1.00 0.00 H new ATOM 1509 N TYR A 209 111.105 12.818 2.957 1.00 0.00 N ATOM 1510 CA TYR A 209 110.142 12.624 1.880 1.00 0.00 C ATOM 1511 C TYR A 209 110.824 12.668 0.518 1.00 0.00 C ATOM 1512 O TYR A 209 110.595 11.804 -0.328 1.00 0.00 O ATOM 1513 CB TYR A 209 109.027 13.668 1.953 1.00 0.00 C ATOM 1514 CG TYR A 209 108.281 13.662 3.270 1.00 0.00 C ATOM 1515 CD1 TYR A 209 108.886 14.121 4.435 1.00 0.00 C ATOM 1516 CD2 TYR A 209 106.979 13.189 3.351 1.00 0.00 C ATOM 1517 CE1 TYR A 209 108.211 14.109 5.641 1.00 0.00 C ATOM 1518 CE2 TYR A 209 106.299 13.175 4.552 1.00 0.00 C ATOM 1519 CZ TYR A 209 106.918 13.635 5.694 1.00 0.00 C ATOM 1520 OH TYR A 209 106.243 13.622 6.893 1.00 0.00 O ATOM 0 H TYR A 209 110.980 13.679 3.490 1.00 0.00 H new ATOM 0 HA TYR A 209 109.699 11.636 2.005 1.00 0.00 H new ATOM 0 HB2 TYR A 209 109.455 14.657 1.791 1.00 0.00 H new ATOM 0 HB3 TYR A 209 108.320 13.490 1.143 1.00 0.00 H new ATOM 0 HD1 TYR A 209 109.899 14.493 4.397 1.00 0.00 H new ATOM 0 HD2 TYR A 209 106.490 12.826 2.459 1.00 0.00 H new ATOM 0 HE1 TYR A 209 108.694 14.469 6.537 1.00 0.00 H new ATOM 0 HE2 TYR A 209 105.285 12.805 4.597 1.00 0.00 H new ATOM 0 HH TYR A 209 105.343 13.259 6.758 1.00 0.00 H new ATOM 1530 N GLU A 210 111.667 13.673 0.310 1.00 0.00 N ATOM 1531 CA GLU A 210 112.383 13.811 -0.953 1.00 0.00 C ATOM 1532 C GLU A 210 113.166 12.538 -1.247 1.00 0.00 C ATOM 1533 O GLU A 210 113.245 12.089 -2.392 1.00 0.00 O ATOM 1534 CB GLU A 210 113.313 15.030 -0.913 1.00 0.00 C ATOM 1535 CG GLU A 210 114.421 14.941 0.133 1.00 0.00 C ATOM 1536 CD GLU A 210 115.687 14.287 -0.396 1.00 0.00 C ATOM 1537 OE1 GLU A 210 115.623 13.122 -0.833 1.00 0.00 O ATOM 1538 OE2 GLU A 210 116.746 14.949 -0.370 1.00 0.00 O ATOM 0 H GLU A 210 111.871 14.401 0.995 1.00 0.00 H new ATOM 0 HA GLU A 210 111.661 13.967 -1.755 1.00 0.00 H new ATOM 0 HB2 GLU A 210 113.767 15.159 -1.896 1.00 0.00 H new ATOM 0 HB3 GLU A 210 112.716 15.921 -0.718 1.00 0.00 H new ATOM 0 HG2 GLU A 210 114.658 15.944 0.489 1.00 0.00 H new ATOM 0 HG3 GLU A 210 114.058 14.376 0.991 1.00 0.00 H new ATOM 1545 N MET A 211 113.723 11.950 -0.196 1.00 0.00 N ATOM 1546 CA MET A 211 114.481 10.714 -0.322 1.00 0.00 C ATOM 1547 C MET A 211 113.537 9.580 -0.684 1.00 0.00 C ATOM 1548 O MET A 211 113.816 8.767 -1.565 1.00 0.00 O ATOM 1549 CB MET A 211 115.182 10.400 1.001 1.00 0.00 C ATOM 1550 CG MET A 211 116.263 9.329 0.910 1.00 0.00 C ATOM 1551 SD MET A 211 116.903 8.869 2.531 1.00 0.00 S ATOM 1552 CE MET A 211 117.416 10.466 3.163 1.00 0.00 C ATOM 0 H MET A 211 113.663 12.311 0.756 1.00 0.00 H new ATOM 0 HA MET A 211 115.231 10.826 -1.104 1.00 0.00 H new ATOM 0 HB2 MET A 211 115.629 11.316 1.386 1.00 0.00 H new ATOM 0 HB3 MET A 211 114.434 10.081 1.726 1.00 0.00 H new ATOM 0 HG2 MET A 211 115.856 8.446 0.418 1.00 0.00 H new ATOM 0 HG3 MET A 211 117.081 9.693 0.288 1.00 0.00 H new ATOM 0 HE1 MET A 211 118.051 10.324 4.038 1.00 0.00 H new ATOM 0 HE2 MET A 211 117.973 11.000 2.393 1.00 0.00 H new ATOM 0 HE3 MET A 211 116.537 11.046 3.443 1.00 0.00 H new ATOM 1562 N HIS A 212 112.412 9.548 0.016 1.00 0.00 N ATOM 1563 CA HIS A 212 111.393 8.530 -0.200 1.00 0.00 C ATOM 1564 C HIS A 212 111.017 8.435 -1.675 1.00 0.00 C ATOM 1565 O HIS A 212 110.724 7.355 -2.188 1.00 0.00 O ATOM 1566 CB HIS A 212 110.154 8.840 0.638 1.00 0.00 C ATOM 1567 CG HIS A 212 109.196 7.696 0.737 1.00 0.00 C ATOM 1568 ND1 HIS A 212 108.014 7.808 1.426 1.00 0.00 N ATOM 1569 CD2 HIS A 212 109.299 6.441 0.237 1.00 0.00 C ATOM 1570 CE1 HIS A 212 107.428 6.628 1.334 1.00 0.00 C ATOM 1571 NE2 HIS A 212 108.169 5.767 0.623 1.00 0.00 N ATOM 0 H HIS A 212 112.180 10.222 0.745 1.00 0.00 H new ATOM 0 HA HIS A 212 111.803 7.569 0.109 1.00 0.00 H new ATOM 0 HB2 HIS A 212 110.467 9.128 1.641 1.00 0.00 H new ATOM 0 HB3 HIS A 212 109.639 9.698 0.206 1.00 0.00 H new ATOM 0 HD2 HIS A 212 110.114 6.047 -0.352 1.00 0.00 H new ATOM 0 HE1 HIS A 212 106.472 6.387 1.776 1.00 0.00 H new ATOM 0 HE2 HIS A 212 107.937 4.797 0.410 1.00 0.00 H new ATOM 1579 N THR A 213 111.001 9.569 -2.354 1.00 0.00 N ATOM 1580 CA THR A 213 110.644 9.604 -3.763 1.00 0.00 C ATOM 1581 C THR A 213 111.724 8.957 -4.614 1.00 0.00 C ATOM 1582 O THR A 213 111.432 8.270 -5.593 1.00 0.00 O ATOM 1583 CB THR A 213 110.419 11.045 -4.182 1.00 0.00 C ATOM 1584 OG1 THR A 213 111.612 11.802 -4.065 1.00 0.00 O ATOM 1585 CG2 THR A 213 109.364 11.702 -3.332 1.00 0.00 C ATOM 0 H THR A 213 111.231 10.478 -1.953 1.00 0.00 H new ATOM 0 HA THR A 213 109.726 9.036 -3.914 1.00 0.00 H new ATOM 0 HB THR A 213 110.093 11.022 -5.222 1.00 0.00 H new ATOM 0 HG1 THR A 213 111.947 11.745 -3.146 1.00 0.00 H new ATOM 0 HG21 THR A 213 109.226 12.733 -3.656 1.00 0.00 H new ATOM 0 HG22 THR A 213 108.424 11.160 -3.435 1.00 0.00 H new ATOM 0 HG23 THR A 213 109.678 11.689 -2.288 1.00 0.00 H new ATOM 1593 N CYS A 214 112.979 9.194 -4.241 1.00 0.00 N ATOM 1594 CA CYS A 214 114.094 8.637 -4.994 1.00 0.00 C ATOM 1595 C CYS A 214 113.868 7.146 -5.174 1.00 0.00 C ATOM 1596 O CYS A 214 114.043 6.611 -6.267 1.00 0.00 O ATOM 1597 CB CYS A 214 115.429 8.867 -4.273 1.00 0.00 C ATOM 1598 SG CYS A 214 115.921 10.612 -4.095 1.00 0.00 S ATOM 0 H CYS A 214 113.245 9.759 -3.435 1.00 0.00 H new ATOM 0 HA CYS A 214 114.144 9.137 -5.961 1.00 0.00 H new ATOM 0 HB2 CYS A 214 115.370 8.419 -3.281 1.00 0.00 H new ATOM 0 HB3 CYS A 214 116.213 8.338 -4.815 1.00 0.00 H new ATOM 1603 N LEU A 215 113.456 6.483 -4.102 1.00 0.00 N ATOM 1604 CA LEU A 215 113.184 5.054 -4.153 1.00 0.00 C ATOM 1605 C LEU A 215 111.887 4.765 -4.913 1.00 0.00 C ATOM 1606 O LEU A 215 111.681 3.660 -5.407 1.00 0.00 O ATOM 1607 CB LEU A 215 113.107 4.456 -2.738 1.00 0.00 C ATOM 1608 CG LEU A 215 112.981 5.461 -1.585 1.00 0.00 C ATOM 1609 CD1 LEU A 215 112.462 4.756 -0.338 1.00 0.00 C ATOM 1610 CD2 LEU A 215 114.329 6.102 -1.286 1.00 0.00 C ATOM 0 H LEU A 215 113.303 6.911 -3.189 1.00 0.00 H new ATOM 0 HA LEU A 215 114.010 4.584 -4.686 1.00 0.00 H new ATOM 0 HB2 LEU A 215 112.253 3.779 -2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 215 114.000 3.853 -2.571 1.00 0.00 H new ATOM 0 HG LEU A 215 112.279 6.241 -1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 215 112.375 5.475 0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 215 111.484 4.323 -0.546 1.00 0.00 H new ATOM 0 HD13 LEU A 215 113.156 3.965 -0.052 1.00 0.00 H new ATOM 0 HD21 LEU A 215 114.220 6.812 -0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 215 115.045 5.330 -1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 215 114.688 6.624 -2.173 1.00 0.00 H new ATOM 1622 N GLY A 216 111.006 5.755 -4.994 1.00 0.00 N ATOM 1623 CA GLY A 216 109.741 5.564 -5.686 1.00 0.00 C ATOM 1624 C GLY A 216 109.903 5.232 -7.162 1.00 0.00 C ATOM 1625 O GLY A 216 109.428 4.195 -7.626 1.00 0.00 O ATOM 0 H GLY A 216 111.142 6.684 -4.595 1.00 0.00 H new ATOM 0 HA2 GLY A 216 109.187 4.761 -5.199 1.00 0.00 H new ATOM 0 HA3 GLY A 216 109.142 6.469 -5.589 1.00 0.00 H new ATOM 1629 N GLU A 217 110.560 6.120 -7.904 1.00 0.00 N ATOM 1630 CA GLU A 217 110.771 5.929 -9.341 1.00 0.00 C ATOM 1631 C GLU A 217 112.067 5.176 -9.637 1.00 0.00 C ATOM 1632 O GLU A 217 112.193 4.559 -10.695 1.00 0.00 O ATOM 1633 CB GLU A 217 110.763 7.275 -10.068 1.00 0.00 C ATOM 1634 CG GLU A 217 110.885 7.152 -11.578 1.00 0.00 C ATOM 1635 CD GLU A 217 110.894 8.499 -12.273 1.00 0.00 C ATOM 1636 OE1 GLU A 217 109.903 9.247 -12.133 1.00 0.00 O ATOM 1637 OE2 GLU A 217 111.893 8.807 -12.958 1.00 0.00 O ATOM 0 H GLU A 217 110.958 6.983 -7.534 1.00 0.00 H new ATOM 0 HA GLU A 217 109.946 5.319 -9.709 1.00 0.00 H new ATOM 0 HB2 GLU A 217 109.840 7.802 -9.828 1.00 0.00 H new ATOM 0 HB3 GLU A 217 111.585 7.885 -9.694 1.00 0.00 H new ATOM 0 HG2 GLU A 217 111.802 6.615 -11.822 1.00 0.00 H new ATOM 0 HG3 GLU A 217 110.055 6.556 -11.959 1.00 0.00 H new ATOM 1644 N MET A 218 113.015 5.190 -8.713 1.00 0.00 N ATOM 1645 CA MET A 218 114.263 4.463 -8.921 1.00 0.00 C ATOM 1646 C MET A 218 114.002 2.962 -8.827 1.00 0.00 C ATOM 1647 O MET A 218 114.862 2.141 -9.146 1.00 0.00 O ATOM 1648 CB MET A 218 115.314 4.882 -7.890 1.00 0.00 C ATOM 1649 CG MET A 218 116.664 4.209 -8.082 1.00 0.00 C ATOM 1650 SD MET A 218 117.364 4.510 -9.717 1.00 0.00 S ATOM 1651 CE MET A 218 118.898 3.595 -9.603 1.00 0.00 C ATOM 0 H MET A 218 112.950 5.687 -7.825 1.00 0.00 H new ATOM 0 HA MET A 218 114.647 4.702 -9.913 1.00 0.00 H new ATOM 0 HB2 MET A 218 115.447 5.963 -7.939 1.00 0.00 H new ATOM 0 HB3 MET A 218 114.942 4.652 -6.892 1.00 0.00 H new ATOM 0 HG2 MET A 218 117.357 4.570 -7.322 1.00 0.00 H new ATOM 0 HG3 MET A 218 116.555 3.135 -7.930 1.00 0.00 H new ATOM 0 HE1 MET A 218 119.732 4.250 -9.856 1.00 0.00 H new ATOM 0 HE2 MET A 218 119.025 3.222 -8.587 1.00 0.00 H new ATOM 0 HE3 MET A 218 118.873 2.755 -10.297 1.00 0.00 H new ATOM 1661 N TYR A 219 112.801 2.624 -8.367 1.00 0.00 N ATOM 1662 CA TYR A 219 112.383 1.234 -8.191 1.00 0.00 C ATOM 1663 C TYR A 219 111.578 0.712 -9.378 1.00 0.00 C ATOM 1664 O TYR A 219 111.782 -0.419 -9.819 1.00 0.00 O ATOM 1665 CB TYR A 219 111.574 1.126 -6.901 1.00 0.00 C ATOM 1666 CG TYR A 219 112.440 1.059 -5.663 1.00 0.00 C ATOM 1667 CD1 TYR A 219 113.480 1.962 -5.461 1.00 0.00 C ATOM 1668 CD2 TYR A 219 112.213 0.099 -4.690 1.00 0.00 C ATOM 1669 CE1 TYR A 219 114.267 1.901 -4.327 1.00 0.00 C ATOM 1670 CE2 TYR A 219 112.995 0.033 -3.556 1.00 0.00 C ATOM 1671 CZ TYR A 219 114.021 0.934 -3.378 1.00 0.00 C ATOM 1672 OH TYR A 219 114.803 0.869 -2.248 1.00 0.00 O ATOM 0 H TYR A 219 112.089 3.305 -8.105 1.00 0.00 H new ATOM 0 HA TYR A 219 113.276 0.612 -8.130 1.00 0.00 H new ATOM 0 HB2 TYR A 219 110.907 1.984 -6.825 1.00 0.00 H new ATOM 0 HB3 TYR A 219 110.946 0.237 -6.946 1.00 0.00 H new ATOM 0 HD1 TYR A 219 113.675 2.723 -6.203 1.00 0.00 H new ATOM 0 HD2 TYR A 219 111.409 -0.610 -4.822 1.00 0.00 H new ATOM 0 HE1 TYR A 219 115.071 2.608 -4.186 1.00 0.00 H new ATOM 0 HE2 TYR A 219 112.803 -0.723 -2.809 1.00 0.00 H new ATOM 0 HH TYR A 219 115.236 1.736 -2.099 1.00 0.00 H new ATOM 1682 N VAL A 220 110.665 1.525 -9.896 1.00 0.00 N ATOM 1683 CA VAL A 220 109.849 1.106 -11.029 1.00 0.00 C ATOM 1684 C VAL A 220 110.700 0.953 -12.286 1.00 0.00 C ATOM 1685 O VAL A 220 110.436 0.090 -13.123 1.00 0.00 O ATOM 1686 CB VAL A 220 108.704 2.096 -11.310 1.00 0.00 C ATOM 1687 CG1 VAL A 220 107.904 2.362 -10.044 1.00 0.00 C ATOM 1688 CG2 VAL A 220 109.243 3.392 -11.900 1.00 0.00 C ATOM 0 H VAL A 220 110.472 2.467 -9.555 1.00 0.00 H new ATOM 0 HA VAL A 220 109.415 0.142 -10.763 1.00 0.00 H new ATOM 0 HB VAL A 220 108.035 1.648 -12.044 1.00 0.00 H new ATOM 0 HG11 VAL A 220 107.099 3.064 -10.263 1.00 0.00 H new ATOM 0 HG12 VAL A 220 107.480 1.427 -9.678 1.00 0.00 H new ATOM 0 HG13 VAL A 220 108.558 2.786 -9.282 1.00 0.00 H new ATOM 0 HG21 VAL A 220 108.416 4.077 -12.091 1.00 0.00 H new ATOM 0 HG22 VAL A 220 109.939 3.850 -11.197 1.00 0.00 H new ATOM 0 HG23 VAL A 220 109.760 3.179 -12.835 1.00 0.00 H new ATOM 1698 N SER A 221 111.726 1.791 -12.409 1.00 0.00 N ATOM 1699 CA SER A 221 112.618 1.739 -13.561 1.00 0.00 C ATOM 1700 C SER A 221 113.304 0.380 -13.639 1.00 0.00 C ATOM 1701 O SER A 221 113.163 -0.343 -14.626 1.00 0.00 O ATOM 1702 CB SER A 221 113.667 2.850 -13.474 1.00 0.00 C ATOM 1703 OG SER A 221 114.452 2.720 -12.302 1.00 0.00 O ATOM 0 H SER A 221 111.959 2.512 -11.726 1.00 0.00 H new ATOM 0 HA SER A 221 112.024 1.886 -14.463 1.00 0.00 H new ATOM 0 HB2 SER A 221 114.311 2.816 -14.353 1.00 0.00 H new ATOM 0 HB3 SER A 221 113.173 3.822 -13.479 1.00 0.00 H new ATOM 0 HG SER A 221 115.247 2.181 -12.499 1.00 0.00 H new ATOM 1709 N ASP A 222 114.034 0.031 -12.584 1.00 0.00 N ATOM 1710 CA ASP A 222 114.727 -1.249 -12.522 1.00 0.00 C ATOM 1711 C ASP A 222 113.748 -2.357 -12.149 1.00 0.00 C ATOM 1712 O ASP A 222 113.253 -2.406 -11.023 1.00 0.00 O ATOM 1713 CB ASP A 222 115.865 -1.189 -11.502 1.00 0.00 C ATOM 1714 CG ASP A 222 116.947 -0.205 -11.901 1.00 0.00 C ATOM 1715 OD1 ASP A 222 116.633 0.994 -12.053 1.00 0.00 O ATOM 1716 OD2 ASP A 222 118.110 -0.633 -12.059 1.00 0.00 O ATOM 0 H ASP A 222 114.160 0.619 -11.760 1.00 0.00 H new ATOM 0 HA ASP A 222 115.149 -1.465 -13.504 1.00 0.00 H new ATOM 0 HB2 ASP A 222 115.463 -0.908 -10.529 1.00 0.00 H new ATOM 0 HB3 ASP A 222 116.303 -2.181 -11.391 1.00 0.00 H new ATOM 1721 N GLU A 223 113.455 -3.230 -13.105 1.00 0.00 N ATOM 1722 CA GLU A 223 112.514 -4.319 -12.874 1.00 0.00 C ATOM 1723 C GLU A 223 113.056 -5.352 -11.894 1.00 0.00 C ATOM 1724 O GLU A 223 112.317 -6.234 -11.459 1.00 0.00 O ATOM 1725 CB GLU A 223 112.119 -4.988 -14.196 1.00 0.00 C ATOM 1726 CG GLU A 223 113.285 -5.547 -15.002 1.00 0.00 C ATOM 1727 CD GLU A 223 113.900 -6.796 -14.396 1.00 0.00 C ATOM 1728 OE1 GLU A 223 114.558 -6.690 -13.343 1.00 0.00 O ATOM 1729 OE2 GLU A 223 113.720 -7.885 -14.980 1.00 0.00 O ATOM 0 H GLU A 223 113.853 -3.206 -14.044 1.00 0.00 H new ATOM 0 HA GLU A 223 111.624 -3.880 -12.423 1.00 0.00 H new ATOM 0 HB2 GLU A 223 111.421 -5.798 -13.983 1.00 0.00 H new ATOM 0 HB3 GLU A 223 111.586 -4.262 -14.810 1.00 0.00 H new ATOM 0 HG2 GLU A 223 112.942 -5.774 -16.011 1.00 0.00 H new ATOM 0 HG3 GLU A 223 114.054 -4.780 -15.092 1.00 0.00 H new ATOM 1736 N ARG A 224 114.333 -5.252 -11.529 1.00 0.00 N ATOM 1737 CA ARG A 224 114.893 -6.210 -10.584 1.00 0.00 C ATOM 1738 C ARG A 224 114.227 -6.005 -9.225 1.00 0.00 C ATOM 1739 O ARG A 224 113.969 -6.956 -8.486 1.00 0.00 O ATOM 1740 CB ARG A 224 116.414 -6.078 -10.487 1.00 0.00 C ATOM 1741 CG ARG A 224 117.128 -6.302 -11.809 1.00 0.00 C ATOM 1742 CD ARG A 224 118.635 -6.158 -11.660 1.00 0.00 C ATOM 1743 NE ARG A 224 119.332 -6.371 -12.924 1.00 0.00 N ATOM 1744 CZ ARG A 224 120.653 -6.299 -13.058 1.00 0.00 C ATOM 1745 NH1 ARG A 224 121.413 -6.020 -12.007 1.00 0.00 N ATOM 1746 NH2 ARG A 224 121.214 -6.504 -14.241 1.00 0.00 N ATOM 0 H ARG A 224 114.981 -4.539 -11.863 1.00 0.00 H new ATOM 0 HA ARG A 224 114.692 -7.222 -10.936 1.00 0.00 H new ATOM 0 HB2 ARG A 224 116.661 -5.084 -10.114 1.00 0.00 H new ATOM 0 HB3 ARG A 224 116.787 -6.795 -9.756 1.00 0.00 H new ATOM 0 HG2 ARG A 224 116.892 -7.297 -12.187 1.00 0.00 H new ATOM 0 HG3 ARG A 224 116.764 -5.586 -12.546 1.00 0.00 H new ATOM 0 HD2 ARG A 224 118.868 -5.163 -11.280 1.00 0.00 H new ATOM 0 HD3 ARG A 224 118.996 -6.874 -10.922 1.00 0.00 H new ATOM 0 HE ARG A 224 118.775 -6.587 -13.751 1.00 0.00 H new ATOM 0 HH11 ARG A 224 120.984 -5.861 -11.095 1.00 0.00 H new ATOM 0 HH12 ARG A 224 122.426 -5.965 -12.111 1.00 0.00 H new ATOM 0 HH21 ARG A 224 120.632 -6.718 -15.051 1.00 0.00 H new ATOM 0 HH22 ARG A 224 122.228 -6.448 -14.341 1.00 0.00 H new ATOM 1760 N PHE A 225 113.915 -4.745 -8.938 1.00 0.00 N ATOM 1761 CA PHE A 225 113.228 -4.368 -7.709 1.00 0.00 C ATOM 1762 C PHE A 225 111.792 -4.868 -7.748 1.00 0.00 C ATOM 1763 O PHE A 225 111.301 -5.488 -6.808 1.00 0.00 O ATOM 1764 CB PHE A 225 113.196 -2.845 -7.564 1.00 0.00 C ATOM 1765 CG PHE A 225 114.540 -2.201 -7.362 1.00 0.00 C ATOM 1766 CD1 PHE A 225 115.513 -2.264 -8.346 1.00 0.00 C ATOM 1767 CD2 PHE A 225 114.823 -1.514 -6.190 1.00 0.00 C ATOM 1768 CE1 PHE A 225 116.740 -1.651 -8.167 1.00 0.00 C ATOM 1769 CE2 PHE A 225 116.047 -0.904 -6.004 1.00 0.00 C ATOM 1770 CZ PHE A 225 117.006 -0.970 -6.993 1.00 0.00 C ATOM 0 H PHE A 225 114.131 -3.958 -9.550 1.00 0.00 H new ATOM 0 HA PHE A 225 113.764 -4.811 -6.869 1.00 0.00 H new ATOM 0 HB2 PHE A 225 112.735 -2.419 -8.455 1.00 0.00 H new ATOM 0 HB3 PHE A 225 112.555 -2.588 -6.720 1.00 0.00 H new ATOM 0 HD1 PHE A 225 115.311 -2.798 -9.263 1.00 0.00 H new ATOM 0 HD2 PHE A 225 114.075 -1.456 -5.413 1.00 0.00 H new ATOM 0 HE1 PHE A 225 117.489 -1.704 -8.943 1.00 0.00 H new ATOM 0 HE2 PHE A 225 116.254 -0.376 -5.085 1.00 0.00 H new ATOM 0 HZ PHE A 225 117.963 -0.491 -6.851 1.00 0.00 H new ATOM 1780 N THR A 226 111.130 -4.562 -8.857 1.00 0.00 N ATOM 1781 CA THR A 226 109.739 -4.930 -9.079 1.00 0.00 C ATOM 1782 C THR A 226 109.515 -6.436 -8.963 1.00 0.00 C ATOM 1783 O THR A 226 108.679 -6.889 -8.193 1.00 0.00 O ATOM 1784 CB THR A 226 109.331 -4.479 -10.474 1.00 0.00 C ATOM 1785 OG1 THR A 226 109.760 -3.152 -10.717 1.00 0.00 O ATOM 1786 CG2 THR A 226 107.839 -4.523 -10.714 1.00 0.00 C ATOM 0 H THR A 226 111.547 -4.048 -9.633 1.00 0.00 H new ATOM 0 HA THR A 226 109.137 -4.443 -8.312 1.00 0.00 H new ATOM 0 HB THR A 226 109.811 -5.186 -11.151 1.00 0.00 H new ATOM 0 HG1 THR A 226 109.490 -2.881 -11.619 1.00 0.00 H new ATOM 0 HG21 THR A 226 107.624 -4.188 -11.729 1.00 0.00 H new ATOM 0 HG22 THR A 226 107.480 -5.544 -10.585 1.00 0.00 H new ATOM 0 HG23 THR A 226 107.336 -3.869 -10.002 1.00 0.00 H new ATOM 1794 N ARG A 227 110.253 -7.210 -9.746 1.00 0.00 N ATOM 1795 CA ARG A 227 110.104 -8.659 -9.725 1.00 0.00 C ATOM 1796 C ARG A 227 110.215 -9.192 -8.299 1.00 0.00 C ATOM 1797 O ARG A 227 109.457 -10.075 -7.891 1.00 0.00 O ATOM 1798 CB ARG A 227 111.157 -9.317 -10.618 1.00 0.00 C ATOM 1799 CG ARG A 227 112.578 -9.118 -10.125 1.00 0.00 C ATOM 1800 CD ARG A 227 113.590 -9.751 -11.066 1.00 0.00 C ATOM 1801 NE ARG A 227 114.961 -9.563 -10.601 1.00 0.00 N ATOM 1802 CZ ARG A 227 116.027 -10.024 -11.247 1.00 0.00 C ATOM 1803 NH1 ARG A 227 115.879 -10.695 -12.381 1.00 0.00 N ATOM 1804 NH2 ARG A 227 117.242 -9.813 -10.760 1.00 0.00 N ATOM 0 H ARG A 227 110.956 -6.863 -10.399 1.00 0.00 H new ATOM 0 HA ARG A 227 109.115 -8.906 -10.110 1.00 0.00 H new ATOM 0 HB2 ARG A 227 110.950 -10.385 -10.684 1.00 0.00 H new ATOM 0 HB3 ARG A 227 111.071 -8.913 -11.627 1.00 0.00 H new ATOM 0 HG2 ARG A 227 112.785 -8.052 -10.031 1.00 0.00 H new ATOM 0 HG3 ARG A 227 112.683 -9.552 -9.131 1.00 0.00 H new ATOM 0 HD2 ARG A 227 113.382 -10.817 -11.159 1.00 0.00 H new ATOM 0 HD3 ARG A 227 113.482 -9.317 -12.060 1.00 0.00 H new ATOM 0 HE ARG A 227 115.109 -9.049 -9.732 1.00 0.00 H new ATOM 0 HH11 ARG A 227 114.946 -10.858 -12.759 1.00 0.00 H new ATOM 0 HH12 ARG A 227 116.698 -11.048 -12.875 1.00 0.00 H new ATOM 0 HH21 ARG A 227 117.359 -9.296 -9.888 1.00 0.00 H new ATOM 0 HH22 ARG A 227 118.059 -10.167 -11.257 1.00 0.00 H new ATOM 1818 N ASN A 228 111.147 -8.629 -7.538 1.00 0.00 N ATOM 1819 CA ASN A 228 111.347 -9.035 -6.153 1.00 0.00 C ATOM 1820 C ASN A 228 110.290 -8.407 -5.251 1.00 0.00 C ATOM 1821 O ASN A 228 109.771 -9.051 -4.339 1.00 0.00 O ATOM 1822 CB ASN A 228 112.746 -8.644 -5.677 1.00 0.00 C ATOM 1823 CG ASN A 228 112.999 -9.043 -4.236 1.00 0.00 C ATOM 1824 OD1 ASN A 228 112.297 -8.604 -3.325 1.00 0.00 O ATOM 1825 ND2 ASN A 228 114.008 -9.881 -4.022 1.00 0.00 N ATOM 0 H ASN A 228 111.775 -7.891 -7.857 1.00 0.00 H new ATOM 0 HA ASN A 228 111.250 -10.119 -6.098 1.00 0.00 H new ATOM 0 HB2 ASN A 228 113.490 -9.117 -6.318 1.00 0.00 H new ATOM 0 HB3 ASN A 228 112.874 -7.567 -5.781 1.00 0.00 H new ATOM 0 HD21 ASN A 228 114.226 -10.185 -3.073 1.00 0.00 H new ATOM 0 HD22 ASN A 228 114.564 -10.220 -4.807 1.00 0.00 H new ATOM 1832 N ILE A 229 109.971 -7.147 -5.521 1.00 0.00 N ATOM 1833 CA ILE A 229 108.967 -6.426 -4.748 1.00 0.00 C ATOM 1834 C ILE A 229 107.556 -6.842 -5.147 1.00 0.00 C ATOM 1835 O ILE A 229 106.753 -7.246 -4.307 1.00 0.00 O ATOM 1836 CB ILE A 229 109.126 -4.901 -4.932 1.00 0.00 C ATOM 1837 CG1 ILE A 229 110.381 -4.422 -4.197 1.00 0.00 C ATOM 1838 CG2 ILE A 229 107.888 -4.162 -4.434 1.00 0.00 C ATOM 1839 CD1 ILE A 229 110.695 -2.960 -4.413 1.00 0.00 C ATOM 0 H ILE A 229 110.395 -6.602 -6.272 1.00 0.00 H new ATOM 0 HA ILE A 229 109.121 -6.679 -3.699 1.00 0.00 H new ATOM 0 HB ILE A 229 109.235 -4.683 -5.994 1.00 0.00 H new ATOM 0 HG12 ILE A 229 110.257 -4.603 -3.129 1.00 0.00 H new ATOM 0 HG13 ILE A 229 111.232 -5.019 -4.524 1.00 0.00 H new ATOM 0 HG21 ILE A 229 108.024 -3.090 -4.574 1.00 0.00 H new ATOM 0 HG22 ILE A 229 107.015 -4.494 -4.996 1.00 0.00 H new ATOM 0 HG23 ILE A 229 107.739 -4.374 -3.375 1.00 0.00 H new ATOM 0 HD11 ILE A 229 111.597 -2.696 -3.861 1.00 0.00 H new ATOM 0 HD12 ILE A 229 110.853 -2.775 -5.476 1.00 0.00 H new ATOM 0 HD13 ILE A 229 109.862 -2.353 -4.059 1.00 0.00 H new ATOM 1851 N ASP A 230 107.269 -6.730 -6.436 1.00 0.00 N ATOM 1852 CA ASP A 230 105.959 -7.075 -6.970 1.00 0.00 C ATOM 1853 C ASP A 230 105.679 -8.571 -6.851 1.00 0.00 C ATOM 1854 O ASP A 230 104.543 -9.008 -7.023 1.00 0.00 O ATOM 1855 CB ASP A 230 105.848 -6.619 -8.424 1.00 0.00 C ATOM 1856 CG ASP A 230 104.456 -6.804 -8.984 1.00 0.00 C ATOM 1857 OD1 ASP A 230 103.991 -7.960 -9.051 1.00 0.00 O ATOM 1858 OD2 ASP A 230 103.828 -5.788 -9.351 1.00 0.00 O ATOM 0 H ASP A 230 107.932 -6.400 -7.137 1.00 0.00 H new ATOM 0 HA ASP A 230 105.206 -6.555 -6.377 1.00 0.00 H new ATOM 0 HB2 ASP A 230 106.128 -5.568 -8.494 1.00 0.00 H new ATOM 0 HB3 ASP A 230 106.558 -7.179 -9.032 1.00 0.00 H new ATOM 1863 N ALA A 231 106.708 -9.355 -6.538 1.00 0.00 N ATOM 1864 CA ALA A 231 106.536 -10.794 -6.373 1.00 0.00 C ATOM 1865 C ALA A 231 105.219 -11.104 -5.657 1.00 0.00 C ATOM 1866 O ALA A 231 104.681 -12.205 -5.761 1.00 0.00 O ATOM 1867 CB ALA A 231 107.703 -11.368 -5.581 1.00 0.00 C ATOM 0 H ALA A 231 107.661 -9.021 -6.395 1.00 0.00 H new ATOM 0 HA ALA A 231 106.509 -11.254 -7.361 1.00 0.00 H new ATOM 0 HB1 ALA A 231 107.568 -12.443 -5.462 1.00 0.00 H new ATOM 0 HB2 ALA A 231 108.634 -11.176 -6.114 1.00 0.00 H new ATOM 0 HB3 ALA A 231 107.744 -10.896 -4.599 1.00 0.00 H new ATOM 1873 N ALA A 232 104.725 -10.116 -4.909 1.00 0.00 N ATOM 1874 CA ALA A 232 103.489 -10.252 -4.139 1.00 0.00 C ATOM 1875 C ALA A 232 102.244 -9.868 -4.930 1.00 0.00 C ATOM 1876 O ALA A 232 101.161 -10.380 -4.645 1.00 0.00 O ATOM 1877 CB ALA A 232 103.577 -9.427 -2.863 1.00 0.00 C ATOM 0 H ALA A 232 105.169 -9.202 -4.820 1.00 0.00 H new ATOM 0 HA ALA A 232 103.386 -11.309 -3.892 1.00 0.00 H new ATOM 0 HB1 ALA A 232 102.652 -9.534 -2.296 1.00 0.00 H new ATOM 0 HB2 ALA A 232 104.415 -9.777 -2.260 1.00 0.00 H new ATOM 0 HB3 ALA A 232 103.727 -8.378 -3.118 1.00 0.00 H new ATOM 1883 N LYS A 233 102.366 -8.997 -5.926 1.00 0.00 N ATOM 1884 CA LYS A 233 101.188 -8.633 -6.707 1.00 0.00 C ATOM 1885 C LYS A 233 101.540 -7.698 -7.870 1.00 0.00 C ATOM 1886 O LYS A 233 102.252 -6.714 -7.675 1.00 0.00 O ATOM 1887 CB LYS A 233 100.150 -7.974 -5.783 1.00 0.00 C ATOM 1888 CG LYS A 233 98.714 -8.462 -5.989 1.00 0.00 C ATOM 1889 CD LYS A 233 97.734 -7.322 -6.272 1.00 0.00 C ATOM 1890 CE LYS A 233 98.085 -6.554 -7.542 1.00 0.00 C ATOM 1891 NZ LYS A 233 99.280 -5.684 -7.369 1.00 0.00 N ATOM 0 H LYS A 233 103.236 -8.543 -6.206 1.00 0.00 H new ATOM 0 HA LYS A 233 100.771 -9.542 -7.142 1.00 0.00 H new ATOM 0 HB2 LYS A 233 100.437 -8.156 -4.747 1.00 0.00 H new ATOM 0 HB3 LYS A 233 100.179 -6.895 -5.937 1.00 0.00 H new ATOM 0 HG2 LYS A 233 98.691 -9.169 -6.819 1.00 0.00 H new ATOM 0 HG3 LYS A 233 98.388 -9.003 -5.100 1.00 0.00 H new ATOM 0 HD2 LYS A 233 96.726 -7.727 -6.363 1.00 0.00 H new ATOM 0 HD3 LYS A 233 97.726 -6.635 -5.426 1.00 0.00 H new ATOM 0 HE2 LYS A 233 98.268 -7.261 -8.351 1.00 0.00 H new ATOM 0 HE3 LYS A 233 97.234 -5.942 -7.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 233 99.359 -5.037 -8.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 233 99.183 -5.132 -6.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 233 100.134 -6.275 -7.313 1.00 0.00 H new ATOM 1905 N PRO A 234 101.044 -7.975 -9.099 1.00 0.00 N ATOM 1906 CA PRO A 234 101.329 -7.124 -10.262 1.00 0.00 C ATOM 1907 C PRO A 234 100.792 -5.707 -10.073 1.00 0.00 C ATOM 1908 O PRO A 234 99.626 -5.519 -9.727 1.00 0.00 O ATOM 1909 CB PRO A 234 100.608 -7.830 -11.421 1.00 0.00 C ATOM 1910 CG PRO A 234 99.585 -8.693 -10.770 1.00 0.00 C ATOM 1911 CD PRO A 234 100.177 -9.115 -9.455 1.00 0.00 C ATOM 0 HA PRO A 234 102.399 -7.007 -10.432 1.00 0.00 H new ATOM 0 HB2 PRO A 234 100.145 -7.109 -12.095 1.00 0.00 H new ATOM 0 HB3 PRO A 234 101.303 -8.422 -12.016 1.00 0.00 H new ATOM 0 HG2 PRO A 234 98.652 -8.149 -10.622 1.00 0.00 H new ATOM 0 HG3 PRO A 234 99.353 -9.559 -11.390 1.00 0.00 H new ATOM 0 HD2 PRO A 234 99.407 -9.287 -8.703 1.00 0.00 H new ATOM 0 HD3 PRO A 234 100.745 -10.041 -9.547 1.00 0.00 H new ATOM 1919 N GLY A 235 101.641 -4.710 -10.307 1.00 0.00 N ATOM 1920 CA GLY A 235 101.222 -3.325 -10.159 1.00 0.00 C ATOM 1921 C GLY A 235 101.433 -2.794 -8.753 1.00 0.00 C ATOM 1922 O GLY A 235 100.772 -1.843 -8.338 1.00 0.00 O ATOM 0 H GLY A 235 102.611 -4.835 -10.596 1.00 0.00 H new ATOM 0 HA2 GLY A 235 101.776 -2.705 -10.864 1.00 0.00 H new ATOM 0 HA3 GLY A 235 100.167 -3.239 -10.420 1.00 0.00 H new ATOM 1926 N LEU A 236 102.354 -3.410 -8.018 1.00 0.00 N ATOM 1927 CA LEU A 236 102.649 -2.997 -6.657 1.00 0.00 C ATOM 1928 C LEU A 236 103.670 -1.869 -6.621 1.00 0.00 C ATOM 1929 O LEU A 236 103.445 -0.830 -6.000 1.00 0.00 O ATOM 1930 CB LEU A 236 103.167 -4.189 -5.855 1.00 0.00 C ATOM 1931 CG LEU A 236 104.046 -3.844 -4.650 1.00 0.00 C ATOM 1932 CD1 LEU A 236 103.306 -2.936 -3.679 1.00 0.00 C ATOM 1933 CD2 LEU A 236 104.506 -5.116 -3.957 1.00 0.00 C ATOM 0 H LEU A 236 102.909 -4.200 -8.347 1.00 0.00 H new ATOM 0 HA LEU A 236 101.725 -2.627 -6.213 1.00 0.00 H new ATOM 0 HB2 LEU A 236 102.312 -4.767 -5.505 1.00 0.00 H new ATOM 0 HB3 LEU A 236 103.736 -4.835 -6.524 1.00 0.00 H new ATOM 0 HG LEU A 236 104.924 -3.305 -5.006 1.00 0.00 H new ATOM 0 HD11 LEU A 236 103.952 -2.706 -2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 236 103.028 -2.012 -4.185 1.00 0.00 H new ATOM 0 HD13 LEU A 236 102.407 -3.439 -3.323 1.00 0.00 H new ATOM 0 HD21 LEU A 236 105.130 -4.859 -3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 236 103.637 -5.679 -3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 236 105.081 -5.724 -4.656 1.00 0.00 H new ATOM 1945 N ALA A 237 104.792 -2.087 -7.284 1.00 0.00 N ATOM 1946 CA ALA A 237 105.855 -1.098 -7.326 1.00 0.00 C ATOM 1947 C ALA A 237 105.344 0.228 -7.885 1.00 0.00 C ATOM 1948 O ALA A 237 105.675 1.299 -7.377 1.00 0.00 O ATOM 1949 CB ALA A 237 107.012 -1.638 -8.147 1.00 0.00 C ATOM 0 H ALA A 237 104.991 -2.943 -7.802 1.00 0.00 H new ATOM 0 HA ALA A 237 106.206 -0.904 -6.313 1.00 0.00 H new ATOM 0 HB1 ALA A 237 107.811 -0.898 -8.180 1.00 0.00 H new ATOM 0 HB2 ALA A 237 107.385 -2.555 -7.691 1.00 0.00 H new ATOM 0 HB3 ALA A 237 106.671 -1.850 -9.160 1.00 0.00 H new ATOM 1955 N ALA A 238 104.533 0.149 -8.933 1.00 0.00 N ATOM 1956 CA ALA A 238 103.965 1.341 -9.557 1.00 0.00 C ATOM 1957 C ALA A 238 102.951 2.037 -8.646 1.00 0.00 C ATOM 1958 O ALA A 238 102.912 3.265 -8.567 1.00 0.00 O ATOM 1959 CB ALA A 238 103.319 0.980 -10.887 1.00 0.00 C ATOM 0 H ALA A 238 104.253 -0.729 -9.370 1.00 0.00 H new ATOM 0 HA ALA A 238 104.782 2.041 -9.731 1.00 0.00 H new ATOM 0 HB1 ALA A 238 102.899 1.877 -11.343 1.00 0.00 H new ATOM 0 HB2 ALA A 238 104.070 0.552 -11.552 1.00 0.00 H new ATOM 0 HB3 ALA A 238 102.525 0.252 -10.720 1.00 0.00 H new ATOM 1965 N TYR A 239 102.118 1.240 -7.982 1.00 0.00 N ATOM 1966 CA TYR A 239 101.078 1.758 -7.096 1.00 0.00 C ATOM 1967 C TYR A 239 101.680 2.394 -5.844 1.00 0.00 C ATOM 1968 O TYR A 239 101.419 3.555 -5.529 1.00 0.00 O ATOM 1969 CB TYR A 239 100.147 0.610 -6.700 1.00 0.00 C ATOM 1970 CG TYR A 239 98.948 1.021 -5.875 1.00 0.00 C ATOM 1971 CD1 TYR A 239 97.894 1.721 -6.447 1.00 0.00 C ATOM 1972 CD2 TYR A 239 98.866 0.699 -4.525 1.00 0.00 C ATOM 1973 CE1 TYR A 239 96.792 2.086 -5.697 1.00 0.00 C ATOM 1974 CE2 TYR A 239 97.769 1.062 -3.769 1.00 0.00 C ATOM 1975 CZ TYR A 239 96.735 1.755 -4.359 1.00 0.00 C ATOM 1976 OH TYR A 239 95.640 2.117 -3.610 1.00 0.00 O ATOM 0 H TYR A 239 102.144 0.222 -8.042 1.00 0.00 H new ATOM 0 HA TYR A 239 100.520 2.530 -7.625 1.00 0.00 H new ATOM 0 HB2 TYR A 239 99.795 0.117 -7.606 1.00 0.00 H new ATOM 0 HB3 TYR A 239 100.721 -0.127 -6.139 1.00 0.00 H new ATOM 0 HD1 TYR A 239 97.936 1.984 -7.494 1.00 0.00 H new ATOM 0 HD2 TYR A 239 99.675 0.155 -4.059 1.00 0.00 H new ATOM 0 HE1 TYR A 239 95.979 2.628 -6.157 1.00 0.00 H new ATOM 0 HE2 TYR A 239 97.722 0.804 -2.721 1.00 0.00 H new ATOM 0 HH TYR A 239 94.830 2.039 -4.156 1.00 0.00 H new ATOM 1986 N MET A 240 102.485 1.609 -5.137 1.00 0.00 N ATOM 1987 CA MET A 240 103.133 2.070 -3.915 1.00 0.00 C ATOM 1988 C MET A 240 103.763 3.446 -4.105 1.00 0.00 C ATOM 1989 O MET A 240 103.681 4.298 -3.225 1.00 0.00 O ATOM 1990 CB MET A 240 104.212 1.077 -3.464 1.00 0.00 C ATOM 1991 CG MET A 240 105.426 1.018 -4.367 1.00 0.00 C ATOM 1992 SD MET A 240 106.667 -0.152 -3.777 1.00 0.00 S ATOM 1993 CE MET A 240 107.018 0.510 -2.147 1.00 0.00 C ATOM 0 H MET A 240 102.705 0.646 -5.391 1.00 0.00 H new ATOM 0 HA MET A 240 102.362 2.140 -3.148 1.00 0.00 H new ATOM 0 HB2 MET A 240 104.536 1.343 -2.458 1.00 0.00 H new ATOM 0 HB3 MET A 240 103.771 0.082 -3.404 1.00 0.00 H new ATOM 0 HG2 MET A 240 105.114 0.736 -5.373 1.00 0.00 H new ATOM 0 HG3 MET A 240 105.871 2.010 -4.438 1.00 0.00 H new ATOM 0 HE1 MET A 240 108.006 0.181 -1.826 1.00 0.00 H new ATOM 0 HE2 MET A 240 106.993 1.599 -2.183 1.00 0.00 H new ATOM 0 HE3 MET A 240 106.269 0.153 -1.440 1.00 0.00 H new ATOM 2003 N ARG A 241 104.415 3.646 -5.249 1.00 0.00 N ATOM 2004 CA ARG A 241 105.087 4.912 -5.532 1.00 0.00 C ATOM 2005 C ARG A 241 104.115 6.079 -5.599 1.00 0.00 C ATOM 2006 O ARG A 241 104.309 7.114 -4.969 1.00 0.00 O ATOM 2007 CB ARG A 241 105.823 4.815 -6.866 1.00 0.00 C ATOM 2008 CG ARG A 241 106.232 6.174 -7.417 1.00 0.00 C ATOM 2009 CD ARG A 241 105.254 6.719 -8.444 1.00 0.00 C ATOM 2010 NE ARG A 241 104.937 5.741 -9.481 1.00 0.00 N ATOM 2011 CZ ARG A 241 104.114 5.985 -10.496 1.00 0.00 C ATOM 2012 NH1 ARG A 241 103.531 7.170 -10.611 1.00 0.00 N ATOM 2013 NH2 ARG A 241 103.875 5.043 -11.399 1.00 0.00 N ATOM 0 H ARG A 241 104.492 2.951 -5.992 1.00 0.00 H new ATOM 0 HA ARG A 241 105.784 5.095 -4.714 1.00 0.00 H new ATOM 0 HB2 ARG A 241 106.712 4.197 -6.741 1.00 0.00 H new ATOM 0 HB3 ARG A 241 105.184 4.311 -7.592 1.00 0.00 H new ATOM 0 HG2 ARG A 241 106.317 6.883 -6.593 1.00 0.00 H new ATOM 0 HG3 ARG A 241 107.219 6.093 -7.871 1.00 0.00 H new ATOM 0 HD2 ARG A 241 104.336 7.024 -7.942 1.00 0.00 H new ATOM 0 HD3 ARG A 241 105.676 7.612 -8.906 1.00 0.00 H new ATOM 0 HE ARG A 241 105.371 4.820 -9.423 1.00 0.00 H new ATOM 0 HH11 ARG A 241 103.713 7.897 -9.920 1.00 0.00 H new ATOM 0 HH12 ARG A 241 102.900 7.354 -11.391 1.00 0.00 H new ATOM 0 HH21 ARG A 241 104.323 4.130 -11.315 1.00 0.00 H new ATOM 0 HH22 ARG A 241 103.243 5.231 -12.177 1.00 0.00 H new ATOM 2027 N ASP A 242 103.068 5.889 -6.370 1.00 0.00 N ATOM 2028 CA ASP A 242 102.043 6.900 -6.546 1.00 0.00 C ATOM 2029 C ASP A 242 101.553 7.381 -5.198 1.00 0.00 C ATOM 2030 O ASP A 242 101.392 8.578 -4.962 1.00 0.00 O ATOM 2031 CB ASP A 242 100.907 6.284 -7.330 1.00 0.00 C ATOM 2032 CG ASP A 242 99.643 7.124 -7.322 1.00 0.00 C ATOM 2033 OD1 ASP A 242 99.659 8.218 -6.720 1.00 0.00 O ATOM 2034 OD2 ASP A 242 98.639 6.689 -7.923 1.00 0.00 O ATOM 0 H ASP A 242 102.901 5.030 -6.894 1.00 0.00 H new ATOM 0 HA ASP A 242 102.445 7.758 -7.085 1.00 0.00 H new ATOM 0 HB2 ASP A 242 101.227 6.133 -8.361 1.00 0.00 H new ATOM 0 HB3 ASP A 242 100.683 5.300 -6.918 1.00 0.00 H new ATOM 2039 N ALA A 243 101.343 6.427 -4.315 1.00 0.00 N ATOM 2040 CA ALA A 243 100.898 6.711 -2.972 1.00 0.00 C ATOM 2041 C ALA A 243 101.895 7.624 -2.272 1.00 0.00 C ATOM 2042 O ALA A 243 101.524 8.505 -1.499 1.00 0.00 O ATOM 2043 CB ALA A 243 100.746 5.398 -2.228 1.00 0.00 C ATOM 0 H ALA A 243 101.477 5.435 -4.510 1.00 0.00 H new ATOM 0 HA ALA A 243 99.938 7.226 -2.994 1.00 0.00 H new ATOM 0 HB1 ALA A 243 100.410 5.594 -1.210 1.00 0.00 H new ATOM 0 HB2 ALA A 243 100.013 4.773 -2.738 1.00 0.00 H new ATOM 0 HB3 ALA A 243 101.706 4.882 -2.200 1.00 0.00 H new ATOM 2049 N ILE A 244 103.171 7.392 -2.562 1.00 0.00 N ATOM 2050 CA ILE A 244 104.258 8.168 -1.985 1.00 0.00 C ATOM 2051 C ILE A 244 104.353 9.561 -2.595 1.00 0.00 C ATOM 2052 O ILE A 244 104.523 10.545 -1.877 1.00 0.00 O ATOM 2053 CB ILE A 244 105.603 7.452 -2.184 1.00 0.00 C ATOM 2054 CG1 ILE A 244 105.602 6.112 -1.447 1.00 0.00 C ATOM 2055 CG2 ILE A 244 106.749 8.332 -1.709 1.00 0.00 C ATOM 2056 CD1 ILE A 244 106.825 5.264 -1.721 1.00 0.00 C ATOM 0 H ILE A 244 103.478 6.661 -3.203 1.00 0.00 H new ATOM 0 HA ILE A 244 104.039 8.266 -0.922 1.00 0.00 H new ATOM 0 HB ILE A 244 105.744 7.258 -3.247 1.00 0.00 H new ATOM 0 HG12 ILE A 244 105.533 6.297 -0.375 1.00 0.00 H new ATOM 0 HG13 ILE A 244 104.711 5.552 -1.732 1.00 0.00 H new ATOM 0 HG21 ILE A 244 107.694 7.810 -1.857 1.00 0.00 H new ATOM 0 HG22 ILE A 244 106.755 9.261 -2.279 1.00 0.00 H new ATOM 0 HG23 ILE A 244 106.621 8.557 -0.650 1.00 0.00 H new ATOM 0 HD11 ILE A 244 106.752 4.330 -1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 244 106.886 5.047 -2.787 1.00 0.00 H new ATOM 0 HD13 ILE A 244 107.719 5.804 -1.409 1.00 0.00 H new ATOM 2068 N LEU A 245 104.246 9.651 -3.919 1.00 0.00 N ATOM 2069 CA LEU A 245 104.328 10.944 -4.584 1.00 0.00 C ATOM 2070 C LEU A 245 103.222 11.851 -4.090 1.00 0.00 C ATOM 2071 O LEU A 245 103.456 12.966 -3.626 1.00 0.00 O ATOM 2072 CB LEU A 245 104.226 10.787 -6.102 1.00 0.00 C ATOM 2073 CG LEU A 245 105.560 10.577 -6.812 1.00 0.00 C ATOM 2074 CD1 LEU A 245 106.364 9.492 -6.117 1.00 0.00 C ATOM 2075 CD2 LEU A 245 105.328 10.235 -8.276 1.00 0.00 C ATOM 0 H LEU A 245 104.105 8.856 -4.542 1.00 0.00 H new ATOM 0 HA LEU A 245 105.295 11.387 -4.347 1.00 0.00 H new ATOM 0 HB2 LEU A 245 103.575 9.941 -6.323 1.00 0.00 H new ATOM 0 HB3 LEU A 245 103.746 11.675 -6.514 1.00 0.00 H new ATOM 0 HG LEU A 245 106.134 11.502 -6.766 1.00 0.00 H new ATOM 0 HD11 LEU A 245 107.313 9.354 -6.635 1.00 0.00 H new ATOM 0 HD12 LEU A 245 106.554 9.785 -5.084 1.00 0.00 H new ATOM 0 HD13 LEU A 245 105.803 8.558 -6.132 1.00 0.00 H new ATOM 0 HD21 LEU A 245 106.288 10.088 -8.772 1.00 0.00 H new ATOM 0 HD22 LEU A 245 104.739 9.321 -8.347 1.00 0.00 H new ATOM 0 HD23 LEU A 245 104.791 11.051 -8.760 1.00 0.00 H new ATOM 2087 N ALA A 246 102.010 11.335 -4.195 1.00 0.00 N ATOM 2088 CA ALA A 246 100.822 12.059 -3.761 1.00 0.00 C ATOM 2089 C ALA A 246 100.966 12.477 -2.306 1.00 0.00 C ATOM 2090 O ALA A 246 100.742 13.633 -1.949 1.00 0.00 O ATOM 2091 CB ALA A 246 99.580 11.195 -3.959 1.00 0.00 C ATOM 0 H ALA A 246 101.819 10.410 -4.580 1.00 0.00 H new ATOM 0 HA ALA A 246 100.712 12.959 -4.366 1.00 0.00 H new ATOM 0 HB1 ALA A 246 98.698 11.745 -3.632 1.00 0.00 H new ATOM 0 HB2 ALA A 246 99.478 10.941 -5.014 1.00 0.00 H new ATOM 0 HB3 ALA A 246 99.675 10.281 -3.373 1.00 0.00 H new ATOM 2097 N ASN A 247 101.365 11.521 -1.478 1.00 0.00 N ATOM 2098 CA ASN A 247 101.574 11.761 -0.059 1.00 0.00 C ATOM 2099 C ASN A 247 102.549 12.916 0.152 1.00 0.00 C ATOM 2100 O ASN A 247 102.370 13.743 1.045 1.00 0.00 O ATOM 2101 CB ASN A 247 102.121 10.488 0.586 1.00 0.00 C ATOM 2102 CG ASN A 247 102.403 10.650 2.065 1.00 0.00 C ATOM 2103 OD1 ASN A 247 103.265 11.429 2.462 1.00 0.00 O ATOM 2104 ND2 ASN A 247 101.674 9.908 2.891 1.00 0.00 N ATOM 0 H ASN A 247 101.552 10.562 -1.771 1.00 0.00 H new ATOM 0 HA ASN A 247 100.624 12.030 0.404 1.00 0.00 H new ATOM 0 HB2 ASN A 247 101.405 9.679 0.445 1.00 0.00 H new ATOM 0 HB3 ASN A 247 103.039 10.194 0.077 1.00 0.00 H new ATOM 0 HD21 ASN A 247 101.820 9.973 3.898 1.00 0.00 H new ATOM 0 HD22 ASN A 247 100.968 9.273 2.518 1.00 0.00 H new ATOM 2111 N ALA A 248 103.591 12.956 -0.679 1.00 0.00 N ATOM 2112 CA ALA A 248 104.611 13.996 -0.592 1.00 0.00 C ATOM 2113 C ALA A 248 104.054 15.366 -0.980 1.00 0.00 C ATOM 2114 O ALA A 248 104.374 16.377 -0.355 1.00 0.00 O ATOM 2115 CB ALA A 248 105.799 13.635 -1.475 1.00 0.00 C ATOM 0 H ALA A 248 103.749 12.276 -1.423 1.00 0.00 H new ATOM 0 HA ALA A 248 104.940 14.058 0.445 1.00 0.00 H new ATOM 0 HB1 ALA A 248 106.556 14.416 -1.404 1.00 0.00 H new ATOM 0 HB2 ALA A 248 106.224 12.687 -1.144 1.00 0.00 H new ATOM 0 HB3 ALA A 248 105.469 13.543 -2.510 1.00 0.00 H new ATOM 2121 N VAL A 249 103.220 15.385 -2.014 1.00 0.00 N ATOM 2122 CA VAL A 249 102.600 16.612 -2.508 1.00 0.00 C ATOM 2123 C VAL A 249 101.639 17.234 -1.503 1.00 0.00 C ATOM 2124 O VAL A 249 101.670 18.442 -1.270 1.00 0.00 O ATOM 2125 CB VAL A 249 101.809 16.323 -3.799 1.00 0.00 C ATOM 2126 CG1 VAL A 249 101.092 17.577 -4.278 1.00 0.00 C ATOM 2127 CG2 VAL A 249 102.733 15.785 -4.884 1.00 0.00 C ATOM 0 H VAL A 249 102.954 14.550 -2.535 1.00 0.00 H new ATOM 0 HA VAL A 249 103.415 17.313 -2.690 1.00 0.00 H new ATOM 0 HB VAL A 249 101.060 15.562 -3.580 1.00 0.00 H new ATOM 0 HG11 VAL A 249 100.539 17.354 -5.190 1.00 0.00 H new ATOM 0 HG12 VAL A 249 100.400 17.917 -3.508 1.00 0.00 H new ATOM 0 HG13 VAL A 249 101.823 18.360 -4.479 1.00 0.00 H new ATOM 0 HG21 VAL A 249 102.156 15.587 -5.788 1.00 0.00 H new ATOM 0 HG22 VAL A 249 103.507 16.522 -5.101 1.00 0.00 H new ATOM 0 HG23 VAL A 249 103.198 14.861 -4.541 1.00 0.00 H new ATOM 2137 N ARG A 250 100.765 16.414 -0.931 1.00 0.00 N ATOM 2138 CA ARG A 250 99.781 16.899 0.014 1.00 0.00 C ATOM 2139 C ARG A 250 100.432 17.504 1.259 1.00 0.00 C ATOM 2140 O ARG A 250 99.744 18.073 2.105 1.00 0.00 O ATOM 2141 CB ARG A 250 98.790 15.787 0.357 1.00 0.00 C ATOM 2142 CG ARG A 250 99.426 14.511 0.880 1.00 0.00 C ATOM 2143 CD ARG A 250 99.951 14.691 2.288 1.00 0.00 C ATOM 2144 NE ARG A 250 98.986 15.384 3.129 1.00 0.00 N ATOM 2145 CZ ARG A 250 99.132 15.569 4.437 1.00 0.00 C ATOM 2146 NH1 ARG A 250 100.192 15.082 5.066 1.00 0.00 N ATOM 2147 NH2 ARG A 250 98.212 16.238 5.120 1.00 0.00 N ATOM 0 H ARG A 250 100.722 15.411 -1.109 1.00 0.00 H new ATOM 0 HA ARG A 250 99.225 17.711 -0.455 1.00 0.00 H new ATOM 0 HB2 ARG A 250 98.090 16.161 1.104 1.00 0.00 H new ATOM 0 HB3 ARG A 250 98.209 15.549 -0.534 1.00 0.00 H new ATOM 0 HG2 ARG A 250 98.693 13.705 0.864 1.00 0.00 H new ATOM 0 HG3 ARG A 250 100.242 14.213 0.221 1.00 0.00 H new ATOM 0 HD2 ARG A 250 100.179 13.717 2.720 1.00 0.00 H new ATOM 0 HD3 ARG A 250 100.884 15.254 2.261 1.00 0.00 H new ATOM 0 HE ARG A 250 98.144 15.751 2.686 1.00 0.00 H new ATOM 0 HH11 ARG A 250 100.900 14.563 4.546 1.00 0.00 H new ATOM 0 HH12 ARG A 250 100.300 15.226 6.070 1.00 0.00 H new ATOM 0 HH21 ARG A 250 97.392 16.611 4.641 1.00 0.00 H new ATOM 0 HH22 ARG A 250 98.325 16.380 6.124 1.00 0.00 H new ATOM 2161 N HIS A 251 101.768 17.437 1.342 1.00 0.00 N ATOM 2162 CA HIS A 251 102.476 18.051 2.469 1.00 0.00 C ATOM 2163 C HIS A 251 102.956 19.433 2.038 1.00 0.00 C ATOM 2164 O HIS A 251 103.005 20.368 2.837 1.00 0.00 O ATOM 2165 CB HIS A 251 103.695 17.244 2.950 1.00 0.00 C ATOM 2166 CG HIS A 251 103.501 15.770 3.097 1.00 0.00 C ATOM 2167 ND1 HIS A 251 102.401 15.187 3.684 1.00 0.00 N ATOM 2168 CD2 HIS A 251 104.323 14.757 2.754 1.00 0.00 C ATOM 2169 CE1 HIS A 251 102.558 13.871 3.689 1.00 0.00 C ATOM 2170 NE2 HIS A 251 103.716 13.589 3.129 1.00 0.00 N ATOM 0 H HIS A 251 102.367 16.975 0.658 1.00 0.00 H new ATOM 0 HA HIS A 251 101.773 18.093 3.301 1.00 0.00 H new ATOM 0 HB2 HIS A 251 104.514 17.413 2.250 1.00 0.00 H new ATOM 0 HB3 HIS A 251 104.011 17.645 3.913 1.00 0.00 H new ATOM 0 HD2 HIS A 251 105.285 14.851 2.271 1.00 0.00 H new ATOM 0 HE1 HIS A 251 101.856 13.152 4.085 1.00 0.00 H new ATOM 0 HE2 HIS A 251 104.098 12.653 2.996 1.00 0.00 H new ATOM 2179 N THR A 252 103.322 19.539 0.764 1.00 0.00 N ATOM 2180 CA THR A 252 103.817 20.789 0.204 1.00 0.00 C ATOM 2181 C THR A 252 102.994 21.977 0.706 1.00 0.00 C ATOM 2182 O THR A 252 101.813 22.098 0.378 1.00 0.00 O ATOM 2183 CB THR A 252 103.764 20.736 -1.323 1.00 0.00 C ATOM 2184 OG1 THR A 252 104.558 19.671 -1.816 1.00 0.00 O ATOM 2185 CG2 THR A 252 104.244 22.010 -1.984 1.00 0.00 C ATOM 0 H THR A 252 103.284 18.768 0.097 1.00 0.00 H new ATOM 0 HA THR A 252 104.849 20.921 0.528 1.00 0.00 H new ATOM 0 HB THR A 252 102.712 20.592 -1.570 1.00 0.00 H new ATOM 0 HG1 THR A 252 104.510 19.653 -2.795 1.00 0.00 H new ATOM 0 HG21 THR A 252 104.180 21.904 -3.067 1.00 0.00 H new ATOM 0 HG22 THR A 252 103.620 22.844 -1.663 1.00 0.00 H new ATOM 0 HG23 THR A 252 105.279 22.201 -1.699 1.00 0.00 H new ATOM 2193 N PRO A 253 103.595 22.875 1.513 1.00 0.00 N ATOM 2194 CA PRO A 253 102.889 24.040 2.047 1.00 0.00 C ATOM 2195 C PRO A 253 102.794 25.176 1.033 1.00 0.00 C ATOM 2196 O PRO A 253 103.848 25.582 0.500 1.00 0.00 O ATOM 2197 CB PRO A 253 103.757 24.446 3.237 1.00 0.00 C ATOM 2198 CG PRO A 253 105.139 24.060 2.834 1.00 0.00 C ATOM 2199 CD PRO A 253 104.999 22.826 1.972 1.00 0.00 C ATOM 2200 OXT PRO A 253 101.666 25.649 0.779 1.00 0.00 O ATOM 0 HA PRO A 253 101.855 23.816 2.309 1.00 0.00 H new ATOM 0 HB2 PRO A 253 103.685 25.515 3.436 1.00 0.00 H new ATOM 0 HB3 PRO A 253 103.450 23.931 4.147 1.00 0.00 H new ATOM 0 HG2 PRO A 253 105.623 24.866 2.283 1.00 0.00 H new ATOM 0 HG3 PRO A 253 105.757 23.856 3.709 1.00 0.00 H new ATOM 0 HD2 PRO A 253 105.695 22.843 1.133 1.00 0.00 H new ATOM 0 HD3 PRO A 253 105.204 21.917 2.538 1.00 0.00 H new TER 2208 PRO A 253 ATOM 2209 CA SER B 501 120.308 5.140 0.044 1.00 0.00 C ATOM 2210 C SER B 501 120.624 3.816 0.553 1.00 0.00 C ATOM 2211 CB SER B 501 121.171 6.169 0.256 1.00 0.00 C HETATM 2213 N BB9 B 502 120.514 2.612 -0.067 1.00 0.00 N HETATM 2214 CA BB9 B 502 120.906 1.552 0.772 1.00 0.00 C HETATM 2215 C BB9 B 502 120.830 0.195 0.337 1.00 0.00 C HETATM 2216 O BB9 B 502 121.146 -0.740 1.073 1.00 0.00 O HETATM 2217 CB BB9 B 502 121.308 1.965 1.993 1.00 0.00 C HETATM 2218 SG BB9 B 502 121.200 3.640 2.108 1.00 0.00 S HETATM 0 HN1 BB9 B 502 120.167 2.417 -1.006 1.00 0.00 H new HETATM 0 HB BB9 B 502 121.653 1.307 2.790 1.00 0.00 H new ATOM 2220 N VAL B 503 120.423 0.020 -0.912 1.00 0.00 N ATOM 2221 CA VAL B 503 120.286 -1.300 -1.506 1.00 0.00 C ATOM 2222 C VAL B 503 119.806 -1.190 -2.938 1.00 0.00 C ATOM 2223 O VAL B 503 118.915 -0.395 -3.236 1.00 0.00 O ATOM 2224 CB VAL B 503 119.283 -2.169 -0.723 1.00 0.00 C ATOM 2225 CG1 VAL B 503 117.913 -1.506 -0.709 1.00 0.00 C ATOM 2226 CG2 VAL B 503 119.184 -3.557 -1.347 1.00 0.00 C ATOM 0 H VAL B 503 120.180 0.787 -1.539 1.00 0.00 H new ATOM 0 HA VAL B 503 121.269 -1.769 -1.473 1.00 0.00 H new ATOM 0 HB VAL B 503 119.638 -2.270 0.303 1.00 0.00 H new ATOM 0 HG11 VAL B 503 117.213 -2.129 -0.153 1.00 0.00 H new ATOM 0 HG12 VAL B 503 117.987 -0.529 -0.232 1.00 0.00 H new ATOM 0 HG13 VAL B 503 117.557 -1.385 -1.732 1.00 0.00 H new ATOM 0 HG21 VAL B 503 118.472 -4.159 -0.783 1.00 0.00 H new ATOM 0 HG22 VAL B 503 118.847 -3.468 -2.380 1.00 0.00 H new ATOM 0 HG23 VAL B 503 120.163 -4.037 -1.325 1.00 0.00 H new ATOM 2236 N GLY B 504 120.384 -1.980 -3.833 1.00 0.00 N ATOM 2237 CA GLY B 504 119.966 -1.916 -5.210 1.00 0.00 C ATOM 2238 C GLY B 504 118.910 -2.840 -5.512 1.00 0.00 C ATOM 0 H GLY B 504 121.123 -2.653 -3.630 1.00 0.00 H new ATOM 0 HA2 GLY B 504 119.633 -0.903 -5.438 1.00 0.00 H new ATOM 0 HA3 GLY B 504 120.820 -2.123 -5.855 1.00 0.00 H new HETATM 2242 N MOZ B 505 117.936 -3.005 -4.599 1.00 0.00 N HETATM 2243 OG MOZ B 505 118.654 -3.620 -6.604 1.00 0.00 O HETATM 2244 CA MOZ B 505 117.032 -3.926 -5.151 1.00 0.00 C HETATM 2245 CB MOZ B 505 117.449 -4.310 -6.360 1.00 0.00 C HETATM 2246 C MOZ B 505 115.839 -4.256 -4.274 1.00 0.00 C HETATM 2247 O MOZ B 505 114.995 -5.050 -4.689 1.00 0.00 O HETATM 2248 C6 MOZ B 505 116.886 -5.258 -7.371 1.00 0.00 C ATOM 2252 N ALA B 506 115.790 -3.674 -3.078 1.00 0.00 N ATOM 2253 CA ALA B 506 114.696 -3.922 -2.127 1.00 0.00 C ATOM 2254 C ALA B 506 114.092 -2.706 -1.403 1.00 0.00 C ATOM 2255 CB ALA B 506 115.163 -4.933 -1.091 1.00 0.00 C ATOM 0 H ALA B 506 116.497 -3.023 -2.738 1.00 0.00 H new ATOM 0 HA ALA B 506 113.881 -4.286 -2.752 1.00 0.00 H new ATOM 0 HB1 ALA B 506 114.359 -5.124 -0.381 1.00 0.00 H new ATOM 0 HB2 ALA B 506 115.437 -5.864 -1.588 1.00 0.00 H new ATOM 0 HB3 ALA B 506 116.029 -4.537 -0.561 1.00 0.00 H new HETATM 2261 N BB9 B 507 114.733 -1.617 -0.890 1.00 0.00 N HETATM 2262 CA BB9 B 507 113.834 -0.723 -0.256 1.00 0.00 C HETATM 2263 C BB9 B 507 114.245 0.480 0.410 1.00 0.00 C HETATM 2264 O BB9 B 507 113.424 1.230 0.936 1.00 0.00 O HETATM 2265 CB BB9 B 507 112.553 -1.156 -0.310 1.00 0.00 C HETATM 2266 SG BB9 B 507 112.448 -2.634 -1.121 1.00 0.00 S HETATM 0 HN1 BB9 B 507 115.734 -1.420 -0.889 1.00 0.00 H new HETATM 0 HB BB9 B 507 111.702 -0.622 0.113 1.00 0.00 H new ATOM 2268 N ALA B 508 115.551 0.708 0.462 1.00 0.00 N ATOM 2269 CA ALA B 508 116.113 1.870 1.134 1.00 0.00 C ATOM 2270 C ALA B 508 116.811 2.827 0.178 1.00 0.00 C ATOM 2271 CB ALA B 508 117.105 1.416 2.198 1.00 0.00 C ATOM 0 H ALA B 508 116.248 0.094 0.041 1.00 0.00 H new ATOM 0 HA ALA B 508 115.280 2.409 1.585 1.00 0.00 H new ATOM 0 HB1 ALA B 508 117.525 2.288 2.700 1.00 0.00 H new ATOM 0 HB2 ALA B 508 116.594 0.788 2.928 1.00 0.00 H new ATOM 0 HB3 ALA B 508 117.907 0.847 1.728 1.00 0.00 H new HETATM 2277 N MOZ B 509 117.854 3.595 0.466 1.00 0.00 N HETATM 2278 OG MOZ B 509 116.380 3.045 -1.109 1.00 0.00 O HETATM 2279 CA MOZ B 509 118.098 4.344 -0.675 1.00 0.00 C HETATM 2280 CB MOZ B 509 117.242 4.043 -1.639 1.00 0.00 C HETATM 2281 C MOZ B 509 119.150 5.397 -0.644 1.00 0.00 C HETATM 2282 C6 MOZ B 509 117.115 4.602 -3.019 1.00 0.00 C HETATM 2286 CAF NAK B 510 119.278 8.979 -1.291 1.00 0.00 C HETATM 2287 OAD NAK B 510 119.925 9.936 -0.867 1.00 0.00 O HETATM 2288 CAG NAK B 510 119.766 7.625 -0.884 1.00 0.00 C HETATM 2289 CAE NAK B 510 120.918 7.433 -0.189 1.00 0.00 C HETATM 2290 NAB NAK B 510 118.881 6.631 -1.129 1.00 0.00 N HETATM 0 HAE3 NAK B 510 121.759 7.821 -0.764 1.00 0.00 H new HETATM 0 HAE2 NAK B 510 120.859 7.956 0.765 1.00 0.00 H new HETATM 0 HAB1 NAK B 510 117.979 6.845 -1.554 1.00 0.00 H new ATOM 2292 N ALA B 511 119.094 8.955 -2.590 1.00 0.00 N ATOM 2293 CA ALA B 511 118.587 10.107 -3.333 1.00 0.00 C ATOM 2294 C ALA B 511 119.553 11.285 -3.247 1.00 0.00 C ATOM 2295 O ALA B 511 119.138 12.440 -3.156 1.00 0.00 O ATOM 2296 CB ALA B 511 117.201 10.502 -2.801 1.00 0.00 C ATOM 0 HA ALA B 511 118.497 9.829 -4.383 1.00 0.00 H new ATOM 0 HB1 ALA B 511 116.828 11.361 -3.359 1.00 0.00 H new ATOM 0 HB2 ALA B 511 116.513 9.665 -2.921 1.00 0.00 H new ATOM 0 HB3 ALA B 511 117.277 10.760 -1.745 1.00 0.00 H new HETATM 2301 N NH2 B 512 120.844 10.990 -3.285 1.00 0.00 N TER 2304 NH2 B 512