USER MOD reduce.3.24.130724 H: found=0, std=0, add=1088, rem=0, adj=35 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 209 TYR OH : rot 142:sc= 0.0186 USER MOD Set 1.2: A 251 HIS : no HE2:sc= -7.2! C(o=-7.2!,f=-13!) USER MOD Set 2.1: A 205 TYR OH : rot 180:sc= -0.166 USER MOD Set 2.2: A 207 CYS SG : rot -51:sc= -0.753 USER MOD Set 3.1: A 203 ASN :FLIP amide:sc= -15.5! C(o=-40!,f=-30!) USER MOD Set 3.2: A 204 HIS : no HD1:sc= -14.3! C(o=-30!,f=-44!) USER MOD Set 4.1: A 196 HIS : no HD1:sc= -0.846 K(o=-14,f=-17!) USER MOD Set 4.2: A 212 HIS : no HE2:sc= -13.4! C(o=-14!,f=-14!) USER MOD Set 5.1: A 130 GLN :FLIP amide:sc= -1.27 F(o=-4!,f=-0.32) USER MOD Set 5.2: A 131 TYR OH : rot -41:sc= 0.951 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 THR OG1 : rot -150:sc= -2.44 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 ASN : amide:sc= -4.86! C(o=-4.9!,f=-7.2!) USER MOD Single : A 142 THR OG1 : rot 37:sc= 0.545 USER MOD Single : A 145 TYR OH : rot 102:sc= 0.636 USER MOD Single : A 147 GLN : amide:sc= -5.7! C(o=-5.7!,f=-18!) USER MOD Single : A 148 SER OG : rot -162:sc= -4.44! USER MOD Single : A 149 LYS NZ :NH3+ 169:sc= -0.0276 (180deg=-0.242) USER MOD Single : A 151 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.136) USER MOD Single : A 152 THR OG1 : rot -21:sc= -0.204 USER MOD Single : A 154 SER OG : rot -46:sc= 1.19 USER MOD Single : A 155 TYR OH : rot 180:sc= 0 USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 LYS NZ :NH3+ 150:sc= -0.039 (180deg=-0.247) USER MOD Single : A 161 GLN :FLIP amide:sc= -0.0095 F(o=-2.5!,f=-0.0095) USER MOD Single : A 164 GLN : amide:sc= -0.135 X(o=-0.13,f=-0.13) USER MOD Single : A 171 THR OG1 : rot -3:sc= -0.233 USER MOD Single : A 178 MET CE :methyl 144:sc= -1.16 (180deg=-5.2!) USER MOD Single : A 186 SER OG : rot 97:sc= 0.476 USER MOD Single : A 190 MET CE :methyl 138:sc= -1.6 (180deg=-2.8) USER MOD Single : A 198 GLN :FLIP amide:sc= -8.64! C(o=-9.7!,f=-8.6!) USER MOD Single : A 211 MET CE :methyl 135:sc= -0.367 (180deg=-1.09) USER MOD Single : A 213 THR OG1 : rot -77:sc= 0.796 USER MOD Single : A 218 MET CE :methyl -170:sc= -4.33! (180deg=-5.11!) USER MOD Single : A 219 TYR OH : rot 118:sc= -6.94! USER MOD Single : A 221 SER OG : rot -13:sc= 0.274 USER MOD Single : A 226 THR OG1 : rot 71:sc= 0.5 USER MOD Single : A 228 ASN : amide:sc= -1.85! C(o=-1.8!,f=-1.9!) USER MOD Single : A 233 LYS NZ :NH3+ 168:sc= -1.09 (180deg=-1.71!) USER MOD Single : A 239 TYR OH : rot -11:sc= -2.62! USER MOD Single : A 240 MET CE :methyl 165:sc= -0.104 (180deg=-0.542) USER MOD Single : A 247 ASN : amide:sc= -1.02 K(o=-1,f=-5.7!) USER MOD Single : A 252 THR OG1 : rot 180:sc= -0.43 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 111 127.638 -3.023 8.533 1.00 0.00 N ATOM 2 CA GLY A 111 126.654 -3.502 7.524 1.00 0.00 C ATOM 3 C GLY A 111 125.922 -4.751 7.974 1.00 0.00 C ATOM 4 O GLY A 111 125.527 -4.862 9.135 1.00 0.00 O ATOM 0 HA2 GLY A 111 125.930 -2.712 7.324 1.00 0.00 H new ATOM 0 HA3 GLY A 111 127.170 -3.706 6.586 1.00 0.00 H new ATOM 8 N ILE A 112 125.742 -5.694 7.054 1.00 0.00 N ATOM 9 CA ILE A 112 125.053 -6.942 7.359 1.00 0.00 C ATOM 10 C ILE A 112 125.984 -7.974 7.977 1.00 0.00 C ATOM 11 O ILE A 112 125.727 -8.462 9.077 1.00 0.00 O ATOM 12 CB ILE A 112 124.389 -7.565 6.108 1.00 0.00 C ATOM 13 CG1 ILE A 112 125.199 -7.241 4.853 1.00 0.00 C ATOM 14 CG2 ILE A 112 122.948 -7.109 5.949 1.00 0.00 C ATOM 15 CD1 ILE A 112 124.581 -7.788 3.588 1.00 0.00 C ATOM 0 H ILE A 112 126.065 -5.617 6.090 1.00 0.00 H new ATOM 0 HA ILE A 112 124.280 -6.677 8.080 1.00 0.00 H new ATOM 0 HB ILE A 112 124.376 -8.646 6.247 1.00 0.00 H new ATOM 0 HG12 ILE A 112 125.299 -6.159 4.762 1.00 0.00 H new ATOM 0 HG13 ILE A 112 126.205 -7.646 4.963 1.00 0.00 H new ATOM 0 HG21 ILE A 112 122.517 -7.568 5.059 1.00 0.00 H new ATOM 0 HG22 ILE A 112 122.373 -7.407 6.826 1.00 0.00 H new ATOM 0 HG23 ILE A 112 122.919 -6.024 5.848 1.00 0.00 H new ATOM 0 HD11 ILE A 112 125.205 -7.523 2.734 1.00 0.00 H new ATOM 0 HD12 ILE A 112 124.506 -8.873 3.660 1.00 0.00 H new ATOM 0 HD13 ILE A 112 123.586 -7.363 3.456 1.00 0.00 H new ATOM 27 N ASN A 113 127.051 -8.328 7.273 1.00 0.00 N ATOM 28 CA ASN A 113 127.964 -9.322 7.772 1.00 0.00 C ATOM 29 C ASN A 113 127.156 -10.481 8.346 1.00 0.00 C ATOM 30 O ASN A 113 127.146 -10.720 9.554 1.00 0.00 O ATOM 31 CB ASN A 113 128.866 -8.706 8.823 1.00 0.00 C ATOM 32 CG ASN A 113 129.466 -7.389 8.370 1.00 0.00 C ATOM 33 OD1 ASN A 113 130.178 -7.329 7.369 1.00 0.00 O ATOM 34 ND2 ASN A 113 129.180 -6.323 9.111 1.00 0.00 N ATOM 0 H ASN A 113 127.296 -7.939 6.362 1.00 0.00 H new ATOM 0 HA ASN A 113 128.597 -9.697 6.968 1.00 0.00 H new ATOM 0 HB2 ASN A 113 128.296 -8.547 9.739 1.00 0.00 H new ATOM 0 HB3 ASN A 113 129.668 -9.404 9.064 1.00 0.00 H new ATOM 0 HD21 ASN A 113 129.556 -5.409 8.857 1.00 0.00 H new ATOM 0 HD22 ASN A 113 128.585 -6.419 9.934 1.00 0.00 H new ATOM 41 N LEU A 114 126.455 -11.175 7.453 1.00 0.00 N ATOM 42 CA LEU A 114 125.599 -12.300 7.818 1.00 0.00 C ATOM 43 C LEU A 114 125.980 -13.544 7.023 1.00 0.00 C ATOM 44 O LEU A 114 126.650 -13.453 5.995 1.00 0.00 O ATOM 45 CB LEU A 114 124.138 -11.938 7.519 1.00 0.00 C ATOM 46 CG LEU A 114 123.570 -10.764 8.317 1.00 0.00 C ATOM 47 CD1 LEU A 114 122.296 -10.243 7.672 1.00 0.00 C ATOM 48 CD2 LEU A 114 123.289 -11.183 9.746 1.00 0.00 C ATOM 0 H LEU A 114 126.465 -10.972 6.453 1.00 0.00 H new ATOM 0 HA LEU A 114 125.726 -12.509 8.880 1.00 0.00 H new ATOM 0 HB2 LEU A 114 124.050 -11.708 6.457 1.00 0.00 H new ATOM 0 HB3 LEU A 114 123.519 -12.815 7.708 1.00 0.00 H new ATOM 0 HG LEU A 114 124.312 -9.966 8.321 1.00 0.00 H new ATOM 0 HD11 LEU A 114 121.908 -9.408 8.255 1.00 0.00 H new ATOM 0 HD12 LEU A 114 122.513 -9.908 6.658 1.00 0.00 H new ATOM 0 HD13 LEU A 114 121.553 -11.039 7.640 1.00 0.00 H new ATOM 0 HD21 LEU A 114 122.885 -10.336 10.301 1.00 0.00 H new ATOM 0 HD22 LEU A 114 122.565 -11.998 9.751 1.00 0.00 H new ATOM 0 HD23 LEU A 114 124.214 -11.517 10.216 1.00 0.00 H new ATOM 60 N THR A 115 125.535 -14.703 7.492 1.00 0.00 N ATOM 61 CA THR A 115 125.813 -15.956 6.802 1.00 0.00 C ATOM 62 C THR A 115 124.713 -16.224 5.778 1.00 0.00 C ATOM 63 O THR A 115 123.568 -15.820 5.981 1.00 0.00 O ATOM 64 CB THR A 115 125.890 -17.112 7.802 1.00 0.00 C ATOM 65 OG1 THR A 115 124.660 -17.264 8.484 1.00 0.00 O ATOM 66 CG2 THR A 115 126.970 -16.933 8.845 1.00 0.00 C ATOM 0 H THR A 115 124.982 -14.801 8.344 1.00 0.00 H new ATOM 0 HA THR A 115 126.774 -15.877 6.293 1.00 0.00 H new ATOM 0 HB THR A 115 126.126 -17.993 7.206 1.00 0.00 H new ATOM 0 HG1 THR A 115 124.825 -17.622 9.381 1.00 0.00 H new ATOM 0 HG21 THR A 115 126.969 -17.788 9.521 1.00 0.00 H new ATOM 0 HG22 THR A 115 127.941 -16.860 8.355 1.00 0.00 H new ATOM 0 HG23 THR A 115 126.780 -16.022 9.412 1.00 0.00 H new ATOM 74 N PRO A 116 125.024 -16.903 4.663 1.00 0.00 N ATOM 75 CA PRO A 116 124.027 -17.196 3.637 1.00 0.00 C ATOM 76 C PRO A 116 122.737 -17.734 4.253 1.00 0.00 C ATOM 77 O PRO A 116 121.640 -17.463 3.767 1.00 0.00 O ATOM 78 CB PRO A 116 124.705 -18.258 2.748 1.00 0.00 C ATOM 79 CG PRO A 116 125.985 -18.617 3.441 1.00 0.00 C ATOM 80 CD PRO A 116 126.341 -17.440 4.305 1.00 0.00 C ATOM 0 HA PRO A 116 123.733 -16.308 3.077 1.00 0.00 H new ATOM 0 HB2 PRO A 116 124.066 -19.133 2.629 1.00 0.00 H new ATOM 0 HB3 PRO A 116 124.898 -17.866 1.749 1.00 0.00 H new ATOM 0 HG2 PRO A 116 125.862 -19.518 4.042 1.00 0.00 H new ATOM 0 HG3 PRO A 116 126.775 -18.822 2.718 1.00 0.00 H new ATOM 0 HD2 PRO A 116 126.911 -17.739 5.185 1.00 0.00 H new ATOM 0 HD3 PRO A 116 126.945 -16.709 3.767 1.00 0.00 H new ATOM 88 N GLU A 117 122.887 -18.488 5.338 1.00 0.00 N ATOM 89 CA GLU A 117 121.749 -19.062 6.046 1.00 0.00 C ATOM 90 C GLU A 117 120.978 -17.981 6.796 1.00 0.00 C ATOM 91 O GLU A 117 119.757 -18.053 6.923 1.00 0.00 O ATOM 92 CB GLU A 117 122.223 -20.141 7.022 1.00 0.00 C ATOM 93 CG GLU A 117 123.231 -19.639 8.041 1.00 0.00 C ATOM 94 CD GLU A 117 123.649 -20.714 9.026 1.00 0.00 C ATOM 95 OE1 GLU A 117 124.193 -21.746 8.580 1.00 0.00 O ATOM 96 OE2 GLU A 117 123.434 -20.523 10.241 1.00 0.00 O ATOM 0 H GLU A 117 123.793 -18.716 5.748 1.00 0.00 H new ATOM 0 HA GLU A 117 121.083 -19.515 5.312 1.00 0.00 H new ATOM 0 HB2 GLU A 117 121.359 -20.548 7.548 1.00 0.00 H new ATOM 0 HB3 GLU A 117 122.667 -20.960 6.457 1.00 0.00 H new ATOM 0 HG2 GLU A 117 124.113 -19.265 7.521 1.00 0.00 H new ATOM 0 HG3 GLU A 117 122.803 -18.798 8.587 1.00 0.00 H new ATOM 103 N GLU A 118 121.695 -16.972 7.281 1.00 0.00 N ATOM 104 CA GLU A 118 121.069 -15.872 8.007 1.00 0.00 C ATOM 105 C GLU A 118 120.257 -15.019 7.044 1.00 0.00 C ATOM 106 O GLU A 118 119.077 -14.756 7.265 1.00 0.00 O ATOM 107 CB GLU A 118 122.132 -15.036 8.716 1.00 0.00 C ATOM 108 CG GLU A 118 122.593 -15.648 10.029 1.00 0.00 C ATOM 109 CD GLU A 118 123.653 -14.819 10.726 1.00 0.00 C ATOM 110 OE1 GLU A 118 124.073 -13.789 10.158 1.00 0.00 O ATOM 111 OE2 GLU A 118 124.070 -15.204 11.840 1.00 0.00 O ATOM 0 H GLU A 118 122.707 -16.893 7.185 1.00 0.00 H new ATOM 0 HA GLU A 118 120.397 -16.275 8.764 1.00 0.00 H new ATOM 0 HB2 GLU A 118 122.991 -14.916 8.056 1.00 0.00 H new ATOM 0 HB3 GLU A 118 121.735 -14.039 8.906 1.00 0.00 H new ATOM 0 HG2 GLU A 118 121.735 -15.763 10.691 1.00 0.00 H new ATOM 0 HG3 GLU A 118 122.986 -16.647 9.840 1.00 0.00 H new ATOM 118 N LYS A 119 120.898 -14.622 5.958 1.00 0.00 N ATOM 119 CA LYS A 119 120.251 -13.830 4.924 1.00 0.00 C ATOM 120 C LYS A 119 119.022 -14.553 4.387 1.00 0.00 C ATOM 121 O LYS A 119 118.067 -13.921 3.940 1.00 0.00 O ATOM 122 CB LYS A 119 121.236 -13.576 3.790 1.00 0.00 C ATOM 123 CG LYS A 119 122.488 -12.837 4.234 1.00 0.00 C ATOM 124 CD LYS A 119 123.654 -13.147 3.318 1.00 0.00 C ATOM 125 CE LYS A 119 124.868 -12.300 3.639 1.00 0.00 C ATOM 126 NZ LYS A 119 126.028 -12.636 2.769 1.00 0.00 N ATOM 0 H LYS A 119 121.877 -14.838 5.768 1.00 0.00 H new ATOM 0 HA LYS A 119 119.934 -12.880 5.354 1.00 0.00 H new ATOM 0 HB2 LYS A 119 121.523 -14.530 3.347 1.00 0.00 H new ATOM 0 HB3 LYS A 119 120.740 -12.999 3.010 1.00 0.00 H new ATOM 0 HG2 LYS A 119 122.299 -11.764 4.238 1.00 0.00 H new ATOM 0 HG3 LYS A 119 122.739 -13.120 5.256 1.00 0.00 H new ATOM 0 HD2 LYS A 119 123.914 -14.202 3.406 1.00 0.00 H new ATOM 0 HD3 LYS A 119 123.357 -12.978 2.283 1.00 0.00 H new ATOM 0 HE2 LYS A 119 124.617 -11.246 3.518 1.00 0.00 H new ATOM 0 HE3 LYS A 119 125.145 -12.444 4.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 126.837 -12.034 3.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 126.285 -13.635 2.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 125.774 -12.474 1.774 1.00 0.00 H new ATOM 140 N PHE A 120 119.051 -15.880 4.439 1.00 0.00 N ATOM 141 CA PHE A 120 117.928 -16.681 3.960 1.00 0.00 C ATOM 142 C PHE A 120 116.788 -16.652 4.969 1.00 0.00 C ATOM 143 O PHE A 120 115.629 -16.456 4.603 1.00 0.00 O ATOM 144 CB PHE A 120 118.369 -18.114 3.667 1.00 0.00 C ATOM 145 CG PHE A 120 117.244 -19.027 3.260 1.00 0.00 C ATOM 146 CD1 PHE A 120 116.526 -18.784 2.100 1.00 0.00 C ATOM 147 CD2 PHE A 120 116.903 -20.124 4.037 1.00 0.00 C ATOM 148 CE1 PHE A 120 115.490 -19.618 1.721 1.00 0.00 C ATOM 149 CE2 PHE A 120 115.868 -20.961 3.663 1.00 0.00 C ATOM 150 CZ PHE A 120 115.162 -20.708 2.505 1.00 0.00 C ATOM 0 H PHE A 120 119.834 -16.422 4.805 1.00 0.00 H new ATOM 0 HA PHE A 120 117.567 -16.248 3.027 1.00 0.00 H new ATOM 0 HB2 PHE A 120 119.117 -18.099 2.874 1.00 0.00 H new ATOM 0 HB3 PHE A 120 118.853 -18.523 4.554 1.00 0.00 H new ATOM 0 HD1 PHE A 120 116.778 -17.933 1.485 1.00 0.00 H new ATOM 0 HD2 PHE A 120 117.452 -20.327 4.945 1.00 0.00 H new ATOM 0 HE1 PHE A 120 114.938 -19.418 0.814 1.00 0.00 H new ATOM 0 HE2 PHE A 120 115.612 -21.812 4.277 1.00 0.00 H new ATOM 0 HZ PHE A 120 114.354 -21.361 2.211 1.00 0.00 H new ATOM 160 N GLU A 121 117.118 -16.818 6.234 1.00 0.00 N ATOM 161 CA GLU A 121 116.123 -16.780 7.290 1.00 0.00 C ATOM 162 C GLU A 121 115.604 -15.358 7.466 1.00 0.00 C ATOM 163 O GLU A 121 114.537 -15.137 8.040 1.00 0.00 O ATOM 164 CB GLU A 121 116.754 -17.278 8.584 1.00 0.00 C ATOM 165 CG GLU A 121 117.351 -18.670 8.451 1.00 0.00 C ATOM 166 CD GLU A 121 116.365 -19.775 8.777 1.00 0.00 C ATOM 167 OE1 GLU A 121 115.199 -19.457 9.097 1.00 0.00 O ATOM 168 OE2 GLU A 121 116.757 -20.959 8.713 1.00 0.00 O ATOM 0 H GLU A 121 118.071 -16.981 6.558 1.00 0.00 H new ATOM 0 HA GLU A 121 115.282 -17.422 7.027 1.00 0.00 H new ATOM 0 HB2 GLU A 121 117.533 -16.582 8.894 1.00 0.00 H new ATOM 0 HB3 GLU A 121 116.000 -17.285 9.371 1.00 0.00 H new ATOM 0 HG2 GLU A 121 117.716 -18.806 7.433 1.00 0.00 H new ATOM 0 HG3 GLU A 121 118.213 -18.754 9.113 1.00 0.00 H new ATOM 175 N VAL A 122 116.391 -14.397 6.991 1.00 0.00 N ATOM 176 CA VAL A 122 116.054 -12.982 7.110 1.00 0.00 C ATOM 177 C VAL A 122 115.420 -12.412 5.833 1.00 0.00 C ATOM 178 O VAL A 122 114.288 -11.929 5.870 1.00 0.00 O ATOM 179 CB VAL A 122 117.311 -12.165 7.475 1.00 0.00 C ATOM 180 CG1 VAL A 122 116.956 -10.709 7.752 1.00 0.00 C ATOM 181 CG2 VAL A 122 118.025 -12.794 8.670 1.00 0.00 C ATOM 0 H VAL A 122 117.275 -14.576 6.515 1.00 0.00 H new ATOM 0 HA VAL A 122 115.312 -12.901 7.904 1.00 0.00 H new ATOM 0 HB VAL A 122 117.991 -12.182 6.623 1.00 0.00 H new ATOM 0 HG11 VAL A 122 117.860 -10.156 8.007 1.00 0.00 H new ATOM 0 HG12 VAL A 122 116.500 -10.270 6.864 1.00 0.00 H new ATOM 0 HG13 VAL A 122 116.253 -10.658 8.583 1.00 0.00 H new ATOM 0 HG21 VAL A 122 118.910 -12.207 8.916 1.00 0.00 H new ATOM 0 HG22 VAL A 122 117.352 -12.813 9.527 1.00 0.00 H new ATOM 0 HG23 VAL A 122 118.323 -13.812 8.421 1.00 0.00 H new ATOM 191 N PHE A 123 116.142 -12.452 4.709 1.00 0.00 N ATOM 192 CA PHE A 123 115.612 -11.915 3.447 1.00 0.00 C ATOM 193 C PHE A 123 115.177 -13.025 2.493 1.00 0.00 C ATOM 194 O PHE A 123 114.297 -12.823 1.657 1.00 0.00 O ATOM 195 CB PHE A 123 116.649 -11.041 2.731 1.00 0.00 C ATOM 196 CG PHE A 123 117.222 -9.935 3.573 1.00 0.00 C ATOM 197 CD1 PHE A 123 118.170 -10.209 4.543 1.00 0.00 C ATOM 198 CD2 PHE A 123 116.815 -8.622 3.392 1.00 0.00 C ATOM 199 CE1 PHE A 123 118.705 -9.196 5.317 1.00 0.00 C ATOM 200 CE2 PHE A 123 117.344 -7.605 4.163 1.00 0.00 C ATOM 201 CZ PHE A 123 118.291 -7.892 5.126 1.00 0.00 C ATOM 0 H PHE A 123 117.081 -12.844 4.644 1.00 0.00 H new ATOM 0 HA PHE A 123 114.745 -11.312 3.716 1.00 0.00 H new ATOM 0 HB2 PHE A 123 117.464 -11.677 2.385 1.00 0.00 H new ATOM 0 HB3 PHE A 123 116.188 -10.604 1.845 1.00 0.00 H new ATOM 0 HD1 PHE A 123 118.496 -11.227 4.697 1.00 0.00 H new ATOM 0 HD2 PHE A 123 116.076 -8.392 2.639 1.00 0.00 H new ATOM 0 HE1 PHE A 123 119.445 -9.424 6.070 1.00 0.00 H new ATOM 0 HE2 PHE A 123 117.017 -6.587 4.013 1.00 0.00 H new ATOM 0 HZ PHE A 123 118.707 -7.098 5.729 1.00 0.00 H new ATOM 211 N GLY A 124 115.816 -14.185 2.601 1.00 0.00 N ATOM 212 CA GLY A 124 115.497 -15.294 1.718 1.00 0.00 C ATOM 213 C GLY A 124 116.584 -15.500 0.680 1.00 0.00 C ATOM 214 O GLY A 124 117.769 -15.514 1.012 1.00 0.00 O ATOM 0 H GLY A 124 116.549 -14.378 3.284 1.00 0.00 H new ATOM 0 HA2 GLY A 124 115.373 -16.205 2.304 1.00 0.00 H new ATOM 0 HA3 GLY A 124 114.546 -15.104 1.220 1.00 0.00 H new ATOM 218 N ASP A 125 116.198 -15.638 -0.582 1.00 0.00 N ATOM 219 CA ASP A 125 117.180 -15.821 -1.644 1.00 0.00 C ATOM 220 C ASP A 125 117.600 -14.473 -2.218 1.00 0.00 C ATOM 221 O ASP A 125 117.495 -14.241 -3.422 1.00 0.00 O ATOM 222 CB ASP A 125 116.591 -16.695 -2.754 1.00 0.00 C ATOM 223 CG ASP A 125 115.302 -16.129 -3.316 1.00 0.00 C ATOM 224 OD1 ASP A 125 115.328 -14.996 -3.842 1.00 0.00 O ATOM 225 OD2 ASP A 125 114.264 -16.819 -3.231 1.00 0.00 O ATOM 0 H ASP A 125 115.227 -15.627 -0.893 1.00 0.00 H new ATOM 0 HA ASP A 125 118.058 -16.313 -1.225 1.00 0.00 H new ATOM 0 HB2 ASP A 125 117.320 -16.796 -3.558 1.00 0.00 H new ATOM 0 HB3 ASP A 125 116.405 -17.696 -2.364 1.00 0.00 H new ATOM 230 N PHE A 126 118.052 -13.575 -1.344 1.00 0.00 N ATOM 231 CA PHE A 126 118.458 -12.235 -1.754 1.00 0.00 C ATOM 232 C PHE A 126 119.553 -11.699 -0.836 1.00 0.00 C ATOM 233 O PHE A 126 119.277 -11.239 0.271 1.00 0.00 O ATOM 234 CB PHE A 126 117.231 -11.318 -1.728 1.00 0.00 C ATOM 235 CG PHE A 126 117.533 -9.847 -1.815 1.00 0.00 C ATOM 236 CD1 PHE A 126 118.378 -9.351 -2.793 1.00 0.00 C ATOM 237 CD2 PHE A 126 116.943 -8.956 -0.929 1.00 0.00 C ATOM 238 CE1 PHE A 126 118.629 -7.994 -2.886 1.00 0.00 C ATOM 239 CE2 PHE A 126 117.193 -7.601 -1.015 1.00 0.00 C ATOM 240 CZ PHE A 126 118.035 -7.118 -1.995 1.00 0.00 C ATOM 0 H PHE A 126 118.146 -13.754 -0.344 1.00 0.00 H new ATOM 0 HA PHE A 126 118.864 -12.270 -2.765 1.00 0.00 H new ATOM 0 HB2 PHE A 126 116.577 -11.589 -2.557 1.00 0.00 H new ATOM 0 HB3 PHE A 126 116.676 -11.506 -0.809 1.00 0.00 H new ATOM 0 HD1 PHE A 126 118.846 -10.030 -3.490 1.00 0.00 H new ATOM 0 HD2 PHE A 126 116.280 -9.328 -0.162 1.00 0.00 H new ATOM 0 HE1 PHE A 126 119.289 -7.618 -3.654 1.00 0.00 H new ATOM 0 HE2 PHE A 126 116.730 -6.920 -0.316 1.00 0.00 H new ATOM 0 HZ PHE A 126 118.230 -6.058 -2.067 1.00 0.00 H new ATOM 250 N ASP A 127 120.801 -11.785 -1.298 1.00 0.00 N ATOM 251 CA ASP A 127 121.948 -11.333 -0.524 1.00 0.00 C ATOM 252 C ASP A 127 122.548 -10.046 -1.096 1.00 0.00 C ATOM 253 O ASP A 127 123.331 -10.090 -2.046 1.00 0.00 O ATOM 254 CB ASP A 127 123.010 -12.430 -0.516 1.00 0.00 C ATOM 255 CG ASP A 127 123.424 -12.844 -1.914 1.00 0.00 C ATOM 256 OD1 ASP A 127 122.551 -13.303 -2.681 1.00 0.00 O ATOM 257 OD2 ASP A 127 124.621 -12.710 -2.243 1.00 0.00 O ATOM 0 H ASP A 127 121.040 -12.168 -2.213 1.00 0.00 H new ATOM 0 HA ASP A 127 121.610 -11.121 0.490 1.00 0.00 H new ATOM 0 HB2 ASP A 127 123.886 -12.080 0.031 1.00 0.00 H new ATOM 0 HB3 ASP A 127 122.627 -13.299 0.019 1.00 0.00 H new ATOM 262 N PRO A 128 122.202 -8.880 -0.520 1.00 0.00 N ATOM 263 CA PRO A 128 122.724 -7.584 -0.975 1.00 0.00 C ATOM 264 C PRO A 128 124.242 -7.591 -1.141 1.00 0.00 C ATOM 265 O PRO A 128 124.787 -6.943 -2.034 1.00 0.00 O ATOM 266 CB PRO A 128 122.326 -6.638 0.161 1.00 0.00 C ATOM 267 CG PRO A 128 121.087 -7.239 0.722 1.00 0.00 C ATOM 268 CD PRO A 128 121.282 -8.728 0.626 1.00 0.00 C ATOM 0 HA PRO A 128 122.331 -7.305 -1.953 1.00 0.00 H new ATOM 0 HB2 PRO A 128 123.111 -6.568 0.914 1.00 0.00 H new ATOM 0 HB3 PRO A 128 122.147 -5.628 -0.207 1.00 0.00 H new ATOM 0 HG2 PRO A 128 120.934 -6.929 1.756 1.00 0.00 H new ATOM 0 HG3 PRO A 128 120.208 -6.921 0.161 1.00 0.00 H new ATOM 0 HD2 PRO A 128 121.710 -9.137 1.541 1.00 0.00 H new ATOM 0 HD3 PRO A 128 120.339 -9.247 0.455 1.00 0.00 H new ATOM 276 N ASP A 129 124.915 -8.316 -0.254 1.00 0.00 N ATOM 277 CA ASP A 129 126.372 -8.407 -0.266 1.00 0.00 C ATOM 278 C ASP A 129 126.924 -8.668 -1.668 1.00 0.00 C ATOM 279 O ASP A 129 128.138 -8.646 -1.872 1.00 0.00 O ATOM 280 CB ASP A 129 126.836 -9.514 0.682 1.00 0.00 C ATOM 281 CG ASP A 129 128.345 -9.654 0.712 1.00 0.00 C ATOM 282 OD1 ASP A 129 129.025 -8.670 1.070 1.00 0.00 O ATOM 283 OD2 ASP A 129 128.846 -10.747 0.377 1.00 0.00 O ATOM 0 H ASP A 129 124.470 -8.854 0.489 1.00 0.00 H new ATOM 0 HA ASP A 129 126.758 -7.444 0.068 1.00 0.00 H new ATOM 0 HB2 ASP A 129 126.473 -9.303 1.688 1.00 0.00 H new ATOM 0 HB3 ASP A 129 126.392 -10.461 0.375 1.00 0.00 H new ATOM 288 N GLN A 130 126.043 -8.927 -2.629 1.00 0.00 N ATOM 289 CA GLN A 130 126.480 -9.203 -3.995 1.00 0.00 C ATOM 290 C GLN A 130 126.824 -7.914 -4.745 1.00 0.00 C ATOM 291 O GLN A 130 127.707 -7.907 -5.602 1.00 0.00 O ATOM 292 CB GLN A 130 125.412 -9.999 -4.749 1.00 0.00 C ATOM 293 CG GLN A 130 125.877 -10.502 -6.107 1.00 0.00 C ATOM 294 CD GLN A 130 124.856 -11.399 -6.780 1.00 0.00 C ATOM 295 OE1 GLN A 130 124.492 -11.064 -8.011 1.00 0.00 O flip ATOM 296 NE2 GLN A 130 124.410 -12.391 -6.202 1.00 0.00 N flip ATOM 0 H GLN A 130 125.033 -8.952 -2.491 1.00 0.00 H new ATOM 0 HA GLN A 130 127.388 -9.804 -3.939 1.00 0.00 H new ATOM 0 HB2 GLN A 130 125.107 -10.850 -4.140 1.00 0.00 H new ATOM 0 HB3 GLN A 130 124.531 -9.372 -4.885 1.00 0.00 H new ATOM 0 HG2 GLN A 130 126.088 -9.650 -6.753 1.00 0.00 H new ATOM 0 HG3 GLN A 130 126.812 -11.049 -5.987 1.00 0.00 H new ATOM 0 HE21 GLN A 130 124.718 -12.611 -5.255 1.00 0.00 H new ATOM 0 HE22 GLN A 130 123.733 -12.993 -6.671 1.00 0.00 H new ATOM 305 N TYR A 131 126.139 -6.818 -4.410 1.00 0.00 N ATOM 306 CA TYR A 131 126.400 -5.524 -5.050 1.00 0.00 C ATOM 307 C TYR A 131 126.471 -4.414 -4.004 1.00 0.00 C ATOM 308 O TYR A 131 126.114 -3.269 -4.274 1.00 0.00 O ATOM 309 CB TYR A 131 125.313 -5.176 -6.072 1.00 0.00 C ATOM 310 CG TYR A 131 124.968 -6.295 -7.030 1.00 0.00 C ATOM 311 CD1 TYR A 131 124.191 -7.367 -6.618 1.00 0.00 C ATOM 312 CD2 TYR A 131 125.419 -6.275 -8.344 1.00 0.00 C ATOM 313 CE1 TYR A 131 123.867 -8.390 -7.489 1.00 0.00 C ATOM 314 CE2 TYR A 131 125.101 -7.294 -9.222 1.00 0.00 C ATOM 315 CZ TYR A 131 124.325 -8.348 -8.790 1.00 0.00 C ATOM 316 OH TYR A 131 124.004 -9.363 -9.661 1.00 0.00 O ATOM 0 H TYR A 131 125.403 -6.799 -3.704 1.00 0.00 H new ATOM 0 HA TYR A 131 127.356 -5.606 -5.567 1.00 0.00 H new ATOM 0 HB2 TYR A 131 124.410 -4.882 -5.537 1.00 0.00 H new ATOM 0 HB3 TYR A 131 125.638 -4.310 -6.648 1.00 0.00 H new ATOM 0 HD1 TYR A 131 123.833 -7.403 -5.600 1.00 0.00 H new ATOM 0 HD2 TYR A 131 126.028 -5.450 -8.685 1.00 0.00 H new ATOM 0 HE1 TYR A 131 123.259 -9.217 -7.153 1.00 0.00 H new ATOM 0 HE2 TYR A 131 125.459 -7.265 -10.241 1.00 0.00 H new ATOM 0 HH TYR A 131 124.062 -10.224 -9.196 1.00 0.00 H new ATOM 326 N GLU A 132 126.921 -4.764 -2.807 1.00 0.00 N ATOM 327 CA GLU A 132 127.023 -3.803 -1.714 1.00 0.00 C ATOM 328 C GLU A 132 127.655 -2.478 -2.155 1.00 0.00 C ATOM 329 O GLU A 132 127.001 -1.436 -2.143 1.00 0.00 O ATOM 330 CB GLU A 132 127.823 -4.417 -0.553 1.00 0.00 C ATOM 331 CG GLU A 132 128.762 -5.542 -0.971 1.00 0.00 C ATOM 332 CD GLU A 132 129.741 -5.137 -2.056 1.00 0.00 C ATOM 333 OE1 GLU A 132 129.292 -4.857 -3.188 1.00 0.00 O ATOM 334 OE2 GLU A 132 130.958 -5.098 -1.774 1.00 0.00 O ATOM 0 H GLU A 132 127.222 -5.708 -2.566 1.00 0.00 H new ATOM 0 HA GLU A 132 126.010 -3.576 -1.383 1.00 0.00 H new ATOM 0 HB2 GLU A 132 128.406 -3.631 -0.072 1.00 0.00 H new ATOM 0 HB3 GLU A 132 127.126 -4.798 0.193 1.00 0.00 H new ATOM 0 HG2 GLU A 132 129.319 -5.884 -0.098 1.00 0.00 H new ATOM 0 HG3 GLU A 132 128.170 -6.387 -1.323 1.00 0.00 H new ATOM 341 N GLU A 133 128.931 -2.523 -2.523 1.00 0.00 N ATOM 342 CA GLU A 133 129.657 -1.327 -2.944 1.00 0.00 C ATOM 343 C GLU A 133 129.332 -0.944 -4.386 1.00 0.00 C ATOM 344 O GLU A 133 129.202 0.235 -4.711 1.00 0.00 O ATOM 345 CB GLU A 133 131.163 -1.565 -2.800 1.00 0.00 C ATOM 346 CG GLU A 133 132.009 -0.343 -3.112 1.00 0.00 C ATOM 347 CD GLU A 133 131.769 0.793 -2.138 1.00 0.00 C ATOM 348 OE1 GLU A 133 132.000 0.596 -0.927 1.00 0.00 O ATOM 349 OE2 GLU A 133 131.349 1.878 -2.587 1.00 0.00 O ATOM 0 H GLU A 133 129.487 -3.378 -2.539 1.00 0.00 H new ATOM 0 HA GLU A 133 129.345 -0.502 -2.303 1.00 0.00 H new ATOM 0 HB2 GLU A 133 131.374 -1.891 -1.782 1.00 0.00 H new ATOM 0 HB3 GLU A 133 131.458 -2.378 -3.463 1.00 0.00 H new ATOM 0 HG2 GLU A 133 133.063 -0.620 -3.090 1.00 0.00 H new ATOM 0 HG3 GLU A 133 131.790 -0.002 -4.124 1.00 0.00 H new ATOM 356 N GLU A 134 129.222 -1.945 -5.247 1.00 0.00 N ATOM 357 CA GLU A 134 128.934 -1.721 -6.661 1.00 0.00 C ATOM 358 C GLU A 134 127.668 -0.889 -6.874 1.00 0.00 C ATOM 359 O GLU A 134 127.532 -0.210 -7.891 1.00 0.00 O ATOM 360 CB GLU A 134 128.796 -3.061 -7.386 1.00 0.00 C ATOM 361 CG GLU A 134 130.045 -3.926 -7.310 1.00 0.00 C ATOM 362 CD GLU A 134 129.882 -5.248 -8.033 1.00 0.00 C ATOM 363 OE1 GLU A 134 128.980 -6.025 -7.655 1.00 0.00 O ATOM 364 OE2 GLU A 134 130.657 -5.507 -8.978 1.00 0.00 O ATOM 0 H GLU A 134 129.328 -2.927 -4.992 1.00 0.00 H new ATOM 0 HA GLU A 134 129.771 -1.157 -7.073 1.00 0.00 H new ATOM 0 HB2 GLU A 134 127.957 -3.611 -6.959 1.00 0.00 H new ATOM 0 HB3 GLU A 134 128.556 -2.875 -8.433 1.00 0.00 H new ATOM 0 HG2 GLU A 134 130.886 -3.382 -7.740 1.00 0.00 H new ATOM 0 HG3 GLU A 134 130.289 -4.115 -6.265 1.00 0.00 H new ATOM 371 N VAL A 135 126.734 -0.965 -5.932 1.00 0.00 N ATOM 372 CA VAL A 135 125.476 -0.240 -6.050 1.00 0.00 C ATOM 373 C VAL A 135 125.660 1.280 -6.101 1.00 0.00 C ATOM 374 O VAL A 135 125.208 1.923 -7.048 1.00 0.00 O ATOM 375 CB VAL A 135 124.531 -0.617 -4.888 1.00 0.00 C ATOM 376 CG1 VAL A 135 123.478 0.452 -4.680 1.00 0.00 C ATOM 377 CG2 VAL A 135 123.872 -1.966 -5.153 1.00 0.00 C ATOM 0 H VAL A 135 126.825 -1.520 -5.081 1.00 0.00 H new ATOM 0 HA VAL A 135 125.034 -0.538 -7.001 1.00 0.00 H new ATOM 0 HB VAL A 135 125.126 -0.692 -3.978 1.00 0.00 H new ATOM 0 HG11 VAL A 135 122.825 0.164 -3.857 1.00 0.00 H new ATOM 0 HG12 VAL A 135 123.963 1.399 -4.444 1.00 0.00 H new ATOM 0 HG13 VAL A 135 122.888 0.563 -5.590 1.00 0.00 H new ATOM 0 HG21 VAL A 135 123.209 -2.216 -4.324 1.00 0.00 H new ATOM 0 HG22 VAL A 135 123.295 -1.914 -6.076 1.00 0.00 H new ATOM 0 HG23 VAL A 135 124.640 -2.734 -5.248 1.00 0.00 H new ATOM 387 N ARG A 136 126.289 1.864 -5.084 1.00 0.00 N ATOM 388 CA ARG A 136 126.472 3.316 -5.049 1.00 0.00 C ATOM 389 C ARG A 136 127.088 3.829 -6.349 1.00 0.00 C ATOM 390 O ARG A 136 126.678 4.865 -6.875 1.00 0.00 O ATOM 391 CB ARG A 136 127.344 3.738 -3.859 1.00 0.00 C ATOM 392 CG ARG A 136 128.836 3.511 -4.065 1.00 0.00 C ATOM 393 CD ARG A 136 129.644 4.022 -2.883 1.00 0.00 C ATOM 394 NE ARG A 136 129.411 3.238 -1.674 1.00 0.00 N ATOM 395 CZ ARG A 136 130.015 3.477 -0.515 1.00 0.00 C ATOM 396 NH1 ARG A 136 130.880 4.477 -0.410 1.00 0.00 N ATOM 397 NH2 ARG A 136 129.754 2.719 0.541 1.00 0.00 N ATOM 0 H ARG A 136 126.676 1.365 -4.283 1.00 0.00 H new ATOM 0 HA ARG A 136 125.484 3.761 -4.933 1.00 0.00 H new ATOM 0 HB2 ARG A 136 127.174 4.795 -3.655 1.00 0.00 H new ATOM 0 HB3 ARG A 136 127.023 3.187 -2.975 1.00 0.00 H new ATOM 0 HG2 ARG A 136 129.028 2.447 -4.206 1.00 0.00 H new ATOM 0 HG3 ARG A 136 129.160 4.016 -4.975 1.00 0.00 H new ATOM 0 HD2 ARG A 136 130.705 3.996 -3.132 1.00 0.00 H new ATOM 0 HD3 ARG A 136 129.387 5.064 -2.693 1.00 0.00 H new ATOM 0 HE ARG A 136 128.748 2.464 -1.722 1.00 0.00 H new ATOM 0 HH11 ARG A 136 131.082 5.064 -1.220 1.00 0.00 H new ATOM 0 HH12 ARG A 136 131.343 4.659 0.480 1.00 0.00 H new ATOM 0 HH21 ARG A 136 129.088 1.950 0.465 1.00 0.00 H new ATOM 0 HH22 ARG A 136 130.219 2.905 1.430 1.00 0.00 H new ATOM 411 N GLU A 137 128.078 3.105 -6.853 1.00 0.00 N ATOM 412 CA GLU A 137 128.762 3.486 -8.081 1.00 0.00 C ATOM 413 C GLU A 137 127.793 3.579 -9.255 1.00 0.00 C ATOM 414 O GLU A 137 127.993 4.370 -10.177 1.00 0.00 O ATOM 415 CB GLU A 137 129.859 2.470 -8.396 1.00 0.00 C ATOM 416 CG GLU A 137 130.914 2.358 -7.307 1.00 0.00 C ATOM 417 CD GLU A 137 131.992 1.345 -7.641 1.00 0.00 C ATOM 418 OE1 GLU A 137 132.673 1.522 -8.673 1.00 0.00 O ATOM 419 OE2 GLU A 137 132.155 0.375 -6.872 1.00 0.00 O ATOM 0 H GLU A 137 128.427 2.246 -6.428 1.00 0.00 H new ATOM 0 HA GLU A 137 129.203 4.471 -7.930 1.00 0.00 H new ATOM 0 HB2 GLU A 137 129.403 1.492 -8.551 1.00 0.00 H new ATOM 0 HB3 GLU A 137 130.343 2.748 -9.332 1.00 0.00 H new ATOM 0 HG2 GLU A 137 131.374 3.334 -7.150 1.00 0.00 H new ATOM 0 HG3 GLU A 137 130.435 2.077 -6.369 1.00 0.00 H new ATOM 426 N ARG A 138 126.756 2.749 -9.226 1.00 0.00 N ATOM 427 CA ARG A 138 125.768 2.717 -10.299 1.00 0.00 C ATOM 428 C ARG A 138 124.814 3.910 -10.246 1.00 0.00 C ATOM 429 O ARG A 138 124.496 4.500 -11.278 1.00 0.00 O ATOM 430 CB ARG A 138 124.967 1.414 -10.233 1.00 0.00 C ATOM 431 CG ARG A 138 125.801 0.164 -10.487 1.00 0.00 C ATOM 432 CD ARG A 138 125.908 -0.180 -11.971 1.00 0.00 C ATOM 433 NE ARG A 138 126.385 0.938 -12.785 1.00 0.00 N ATOM 434 CZ ARG A 138 125.581 1.817 -13.379 1.00 0.00 C ATOM 435 NH1 ARG A 138 124.265 1.691 -13.282 1.00 0.00 N ATOM 436 NH2 ARG A 138 126.095 2.818 -14.081 1.00 0.00 N ATOM 0 H ARG A 138 126.577 2.088 -8.470 1.00 0.00 H new ATOM 0 HA ARG A 138 126.313 2.773 -11.241 1.00 0.00 H new ATOM 0 HB2 ARG A 138 124.501 1.335 -9.251 1.00 0.00 H new ATOM 0 HB3 ARG A 138 124.161 1.457 -10.966 1.00 0.00 H new ATOM 0 HG2 ARG A 138 126.801 0.310 -10.079 1.00 0.00 H new ATOM 0 HG3 ARG A 138 125.359 -0.678 -9.954 1.00 0.00 H new ATOM 0 HD2 ARG A 138 126.584 -1.026 -12.094 1.00 0.00 H new ATOM 0 HD3 ARG A 138 124.931 -0.497 -12.336 1.00 0.00 H new ATOM 0 HE ARG A 138 127.392 1.050 -12.904 1.00 0.00 H new ATOM 0 HH11 ARG A 138 123.864 0.918 -12.750 1.00 0.00 H new ATOM 0 HH12 ARG A 138 123.653 2.367 -13.739 1.00 0.00 H new ATOM 0 HH21 ARG A 138 127.107 2.915 -14.166 1.00 0.00 H new ATOM 0 HH22 ARG A 138 125.478 3.491 -14.536 1.00 0.00 H new ATOM 450 N TRP A 139 124.337 4.251 -9.051 1.00 0.00 N ATOM 451 CA TRP A 139 123.397 5.361 -8.903 1.00 0.00 C ATOM 452 C TRP A 139 124.086 6.723 -8.916 1.00 0.00 C ATOM 453 O TRP A 139 123.602 7.658 -9.554 1.00 0.00 O ATOM 454 CB TRP A 139 122.596 5.226 -7.608 1.00 0.00 C ATOM 455 CG TRP A 139 121.651 4.064 -7.584 1.00 0.00 C ATOM 456 CD1 TRP A 139 120.862 3.620 -8.607 1.00 0.00 C ATOM 457 CD2 TRP A 139 121.359 3.226 -6.461 1.00 0.00 C ATOM 458 NE1 TRP A 139 120.114 2.546 -8.194 1.00 0.00 N ATOM 459 CE2 TRP A 139 120.398 2.287 -6.879 1.00 0.00 C ATOM 460 CE3 TRP A 139 121.823 3.173 -5.143 1.00 0.00 C ATOM 461 CZ2 TRP A 139 119.890 1.313 -6.027 1.00 0.00 C ATOM 462 CZ3 TRP A 139 121.316 2.206 -4.299 1.00 0.00 C ATOM 463 CH2 TRP A 139 120.358 1.288 -4.743 1.00 0.00 C ATOM 0 H TRP A 139 124.582 3.781 -8.180 1.00 0.00 H new ATOM 0 HA TRP A 139 122.731 5.309 -9.764 1.00 0.00 H new ATOM 0 HB2 TRP A 139 123.291 5.131 -6.773 1.00 0.00 H new ATOM 0 HB3 TRP A 139 122.029 6.143 -7.448 1.00 0.00 H new ATOM 0 HD1 TRP A 139 120.831 4.051 -9.597 1.00 0.00 H new ATOM 0 HE1 TRP A 139 119.454 2.025 -8.772 1.00 0.00 H new ATOM 0 HE3 TRP A 139 122.564 3.876 -4.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 119.152 0.602 -6.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 121.665 2.157 -3.278 1.00 0.00 H new ATOM 0 HH2 TRP A 139 119.980 0.544 -4.057 1.00 0.00 H new ATOM 474 N GLY A 140 125.195 6.849 -8.197 1.00 0.00 N ATOM 475 CA GLY A 140 125.881 8.128 -8.146 1.00 0.00 C ATOM 476 C GLY A 140 124.909 9.264 -7.876 1.00 0.00 C ATOM 477 O GLY A 140 125.188 10.424 -8.181 1.00 0.00 O ATOM 0 H GLY A 140 125.627 6.101 -7.655 1.00 0.00 H new ATOM 0 HA2 GLY A 140 126.642 8.104 -7.366 1.00 0.00 H new ATOM 0 HA3 GLY A 140 126.397 8.304 -9.090 1.00 0.00 H new ATOM 481 N ASN A 141 123.757 8.911 -7.308 1.00 0.00 N ATOM 482 CA ASN A 141 122.705 9.862 -6.987 1.00 0.00 C ATOM 483 C ASN A 141 122.350 9.767 -5.513 1.00 0.00 C ATOM 484 O ASN A 141 121.696 10.645 -4.955 1.00 0.00 O ATOM 485 CB ASN A 141 121.464 9.527 -7.816 1.00 0.00 C ATOM 486 CG ASN A 141 120.339 10.519 -7.600 1.00 0.00 C ATOM 487 OD1 ASN A 141 119.849 10.688 -6.483 1.00 0.00 O ATOM 488 ND2 ASN A 141 119.925 11.181 -8.672 1.00 0.00 N ATOM 0 H ASN A 141 123.530 7.949 -7.057 1.00 0.00 H new ATOM 0 HA ASN A 141 123.052 10.871 -7.211 1.00 0.00 H new ATOM 0 HB2 ASN A 141 121.731 9.509 -8.873 1.00 0.00 H new ATOM 0 HB3 ASN A 141 121.117 8.527 -7.557 1.00 0.00 H new ATOM 0 HD21 ASN A 141 119.171 11.863 -8.591 1.00 0.00 H new ATOM 0 HD22 ASN A 141 120.361 11.008 -9.578 1.00 0.00 H new ATOM 495 N THR A 142 122.747 8.651 -4.915 1.00 0.00 N ATOM 496 CA THR A 142 122.432 8.364 -3.523 1.00 0.00 C ATOM 497 C THR A 142 123.406 8.998 -2.535 1.00 0.00 C ATOM 498 O THR A 142 124.590 8.665 -2.492 1.00 0.00 O ATOM 499 CB THR A 142 122.409 6.851 -3.319 1.00 0.00 C ATOM 500 OG1 THR A 142 123.680 6.289 -3.593 1.00 0.00 O ATOM 501 CG2 THR A 142 121.397 6.151 -4.202 1.00 0.00 C ATOM 0 H THR A 142 123.293 7.924 -5.378 1.00 0.00 H new ATOM 0 HA THR A 142 121.456 8.804 -3.320 1.00 0.00 H new ATOM 0 HB THR A 142 122.129 6.700 -2.276 1.00 0.00 H new ATOM 0 HG1 THR A 142 124.381 6.898 -3.281 1.00 0.00 H new ATOM 0 HG21 THR A 142 121.428 5.078 -4.011 1.00 0.00 H new ATOM 0 HG22 THR A 142 120.399 6.530 -3.982 1.00 0.00 H new ATOM 0 HG23 THR A 142 121.635 6.340 -5.249 1.00 0.00 H new ATOM 509 N ASP A 143 122.858 9.889 -1.709 1.00 0.00 N ATOM 510 CA ASP A 143 123.609 10.568 -0.656 1.00 0.00 C ATOM 511 C ASP A 143 123.217 9.966 0.682 1.00 0.00 C ATOM 512 O ASP A 143 124.045 9.805 1.587 1.00 0.00 O ATOM 513 CB ASP A 143 123.314 12.070 -0.669 1.00 0.00 C ATOM 514 CG ASP A 143 124.074 12.817 0.410 1.00 0.00 C ATOM 515 OD1 ASP A 143 125.322 12.775 0.394 1.00 0.00 O ATOM 516 OD2 ASP A 143 123.421 13.445 1.270 1.00 0.00 O ATOM 0 H ASP A 143 121.876 10.161 -1.753 1.00 0.00 H new ATOM 0 HA ASP A 143 124.678 10.435 -0.824 1.00 0.00 H new ATOM 0 HB2 ASP A 143 123.575 12.481 -1.644 1.00 0.00 H new ATOM 0 HB3 ASP A 143 122.244 12.229 -0.533 1.00 0.00 H new ATOM 521 N ALA A 144 121.942 9.597 0.800 1.00 0.00 N ATOM 522 CA ALA A 144 121.474 8.980 2.017 1.00 0.00 C ATOM 523 C ALA A 144 122.372 7.796 2.302 1.00 0.00 C ATOM 524 O ALA A 144 122.755 7.535 3.437 1.00 0.00 O ATOM 525 CB ALA A 144 120.013 8.548 1.897 1.00 0.00 C ATOM 0 H ALA A 144 121.234 9.716 0.076 1.00 0.00 H new ATOM 0 HA ALA A 144 121.517 9.694 2.839 1.00 0.00 H new ATOM 0 HB1 ALA A 144 119.692 8.087 2.831 1.00 0.00 H new ATOM 0 HB2 ALA A 144 119.392 9.419 1.690 1.00 0.00 H new ATOM 0 HB3 ALA A 144 119.912 7.829 1.084 1.00 0.00 H new ATOM 531 N TYR A 145 122.712 7.078 1.224 1.00 0.00 N ATOM 532 CA TYR A 145 123.577 5.910 1.340 1.00 0.00 C ATOM 533 C TYR A 145 124.809 6.247 2.162 1.00 0.00 C ATOM 534 O TYR A 145 125.381 5.382 2.823 1.00 0.00 O ATOM 535 CB TYR A 145 123.996 5.418 -0.044 1.00 0.00 C ATOM 536 CG TYR A 145 124.598 4.035 -0.025 1.00 0.00 C ATOM 537 CD1 TYR A 145 123.805 2.922 0.222 1.00 0.00 C ATOM 538 CD2 TYR A 145 125.956 3.840 -0.240 1.00 0.00 C ATOM 539 CE1 TYR A 145 124.348 1.651 0.252 1.00 0.00 C ATOM 540 CE2 TYR A 145 126.507 2.574 -0.214 1.00 0.00 C ATOM 541 CZ TYR A 145 125.699 1.483 0.033 1.00 0.00 C ATOM 542 OH TYR A 145 126.245 0.220 0.061 1.00 0.00 O ATOM 0 H TYR A 145 122.403 7.286 0.275 1.00 0.00 H new ATOM 0 HA TYR A 145 123.021 5.118 1.842 1.00 0.00 H new ATOM 0 HB2 TYR A 145 123.127 5.420 -0.702 1.00 0.00 H new ATOM 0 HB3 TYR A 145 124.718 6.116 -0.468 1.00 0.00 H new ATOM 0 HD1 TYR A 145 122.747 3.052 0.393 1.00 0.00 H new ATOM 0 HD2 TYR A 145 126.591 4.692 -0.431 1.00 0.00 H new ATOM 0 HE1 TYR A 145 123.718 0.795 0.446 1.00 0.00 H new ATOM 0 HE2 TYR A 145 127.565 2.439 -0.386 1.00 0.00 H new ATOM 0 HH TYR A 145 126.395 -0.092 -0.856 1.00 0.00 H new ATOM 552 N ARG A 146 125.206 7.513 2.126 1.00 0.00 N ATOM 553 CA ARG A 146 126.365 7.964 2.880 1.00 0.00 C ATOM 554 C ARG A 146 126.071 7.928 4.377 1.00 0.00 C ATOM 555 O ARG A 146 126.805 7.308 5.149 1.00 0.00 O ATOM 556 CB ARG A 146 126.767 9.376 2.457 1.00 0.00 C ATOM 557 CG ARG A 146 128.030 9.864 3.136 1.00 0.00 C ATOM 558 CD ARG A 146 128.325 11.315 2.792 1.00 0.00 C ATOM 559 NE ARG A 146 128.513 11.510 1.357 1.00 0.00 N ATOM 560 CZ ARG A 146 128.787 12.687 0.804 1.00 0.00 C ATOM 561 NH1 ARG A 146 128.904 13.767 1.563 1.00 0.00 N ATOM 562 NH2 ARG A 146 128.944 12.783 -0.509 1.00 0.00 N ATOM 0 H ARG A 146 124.743 8.242 1.584 1.00 0.00 H new ATOM 0 HA ARG A 146 127.195 7.290 2.668 1.00 0.00 H new ATOM 0 HB2 ARG A 146 126.911 9.398 1.377 1.00 0.00 H new ATOM 0 HB3 ARG A 146 125.951 10.063 2.684 1.00 0.00 H new ATOM 0 HG2 ARG A 146 127.927 9.759 4.216 1.00 0.00 H new ATOM 0 HG3 ARG A 146 128.871 9.240 2.834 1.00 0.00 H new ATOM 0 HD2 ARG A 146 127.505 11.944 3.139 1.00 0.00 H new ATOM 0 HD3 ARG A 146 129.221 11.638 3.322 1.00 0.00 H new ATOM 0 HE ARG A 146 128.429 10.698 0.745 1.00 0.00 H new ATOM 0 HH11 ARG A 146 128.784 13.696 2.573 1.00 0.00 H new ATOM 0 HH12 ARG A 146 129.114 14.670 1.137 1.00 0.00 H new ATOM 0 HH21 ARG A 146 128.854 11.953 -1.095 1.00 0.00 H new ATOM 0 HH22 ARG A 146 129.154 13.687 -0.933 1.00 0.00 H new ATOM 576 N GLN A 147 124.981 8.577 4.782 1.00 0.00 N ATOM 577 CA GLN A 147 124.594 8.588 6.196 1.00 0.00 C ATOM 578 C GLN A 147 124.055 7.230 6.603 1.00 0.00 C ATOM 579 O GLN A 147 124.125 6.835 7.766 1.00 0.00 O ATOM 580 CB GLN A 147 123.535 9.666 6.506 1.00 0.00 C ATOM 581 CG GLN A 147 122.534 9.916 5.390 1.00 0.00 C ATOM 582 CD GLN A 147 123.069 10.860 4.331 1.00 0.00 C ATOM 583 OE1 GLN A 147 124.146 10.648 3.779 1.00 0.00 O ATOM 584 NE2 GLN A 147 122.309 11.907 4.035 1.00 0.00 N ATOM 0 H GLN A 147 124.357 9.095 4.164 1.00 0.00 H new ATOM 0 HA GLN A 147 125.492 8.824 6.768 1.00 0.00 H new ATOM 0 HB2 GLN A 147 122.991 9.373 7.404 1.00 0.00 H new ATOM 0 HB3 GLN A 147 124.045 10.602 6.733 1.00 0.00 H new ATOM 0 HG2 GLN A 147 122.268 8.967 4.925 1.00 0.00 H new ATOM 0 HG3 GLN A 147 121.619 10.331 5.813 1.00 0.00 H new ATOM 0 HE21 GLN A 147 121.421 12.045 4.518 1.00 0.00 H new ATOM 0 HE22 GLN A 147 122.613 12.573 3.325 1.00 0.00 H new ATOM 593 N SER A 148 123.482 6.542 5.634 1.00 0.00 N ATOM 594 CA SER A 148 122.881 5.244 5.865 1.00 0.00 C ATOM 595 C SER A 148 123.913 4.165 6.167 1.00 0.00 C ATOM 596 O SER A 148 123.808 3.475 7.181 1.00 0.00 O ATOM 597 CB SER A 148 122.079 4.855 4.640 1.00 0.00 C ATOM 598 OG SER A 148 121.309 5.946 4.175 1.00 0.00 O ATOM 0 H SER A 148 123.420 6.866 4.669 1.00 0.00 H new ATOM 0 HA SER A 148 122.239 5.323 6.743 1.00 0.00 H new ATOM 0 HB2 SER A 148 122.752 4.517 3.852 1.00 0.00 H new ATOM 0 HB3 SER A 148 121.423 4.018 4.880 1.00 0.00 H new ATOM 0 HG SER A 148 120.602 5.618 3.580 1.00 0.00 H new ATOM 604 N LYS A 149 124.914 4.013 5.305 1.00 0.00 N ATOM 605 CA LYS A 149 125.932 3.002 5.542 1.00 0.00 C ATOM 606 C LYS A 149 126.597 3.279 6.877 1.00 0.00 C ATOM 607 O LYS A 149 126.993 2.365 7.598 1.00 0.00 O ATOM 608 CB LYS A 149 126.971 2.970 4.418 1.00 0.00 C ATOM 609 CG LYS A 149 127.854 4.204 4.345 1.00 0.00 C ATOM 610 CD LYS A 149 128.913 4.053 3.263 1.00 0.00 C ATOM 611 CE LYS A 149 129.763 5.304 3.127 1.00 0.00 C ATOM 612 NZ LYS A 149 130.399 5.689 4.418 1.00 0.00 N ATOM 0 H LYS A 149 125.039 4.564 4.456 1.00 0.00 H new ATOM 0 HA LYS A 149 125.455 2.022 5.562 1.00 0.00 H new ATOM 0 HB2 LYS A 149 127.604 2.092 4.550 1.00 0.00 H new ATOM 0 HB3 LYS A 149 126.455 2.851 3.466 1.00 0.00 H new ATOM 0 HG2 LYS A 149 127.242 5.082 4.140 1.00 0.00 H new ATOM 0 HG3 LYS A 149 128.335 4.369 5.309 1.00 0.00 H new ATOM 0 HD2 LYS A 149 129.553 3.202 3.497 1.00 0.00 H new ATOM 0 HD3 LYS A 149 128.431 3.836 2.310 1.00 0.00 H new ATOM 0 HE2 LYS A 149 130.536 5.137 2.377 1.00 0.00 H new ATOM 0 HE3 LYS A 149 129.144 6.126 2.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 131.111 6.428 4.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 129.673 6.051 5.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 130.858 4.857 4.841 1.00 0.00 H new ATOM 626 N GLU A 150 126.696 4.562 7.197 1.00 0.00 N ATOM 627 CA GLU A 150 127.293 4.998 8.446 1.00 0.00 C ATOM 628 C GLU A 150 126.565 4.356 9.630 1.00 0.00 C ATOM 629 O GLU A 150 127.185 3.967 10.619 1.00 0.00 O ATOM 630 CB GLU A 150 127.218 6.526 8.542 1.00 0.00 C ATOM 631 CG GLU A 150 128.281 7.141 9.433 1.00 0.00 C ATOM 632 CD GLU A 150 128.055 8.622 9.671 1.00 0.00 C ATOM 633 OE1 GLU A 150 127.066 9.165 9.137 1.00 0.00 O ATOM 634 OE2 GLU A 150 128.869 9.238 10.391 1.00 0.00 O ATOM 0 H GLU A 150 126.367 5.322 6.602 1.00 0.00 H new ATOM 0 HA GLU A 150 128.338 4.689 8.473 1.00 0.00 H new ATOM 0 HB2 GLU A 150 127.309 6.948 7.541 1.00 0.00 H new ATOM 0 HB3 GLU A 150 126.235 6.808 8.919 1.00 0.00 H new ATOM 0 HG2 GLU A 150 128.293 6.620 10.391 1.00 0.00 H new ATOM 0 HG3 GLU A 150 129.261 6.995 8.978 1.00 0.00 H new ATOM 641 N LYS A 151 125.237 4.270 9.521 1.00 0.00 N ATOM 642 CA LYS A 151 124.403 3.697 10.578 1.00 0.00 C ATOM 643 C LYS A 151 124.325 2.171 10.510 1.00 0.00 C ATOM 644 O LYS A 151 124.178 1.512 11.538 1.00 0.00 O ATOM 645 CB LYS A 151 122.984 4.257 10.485 1.00 0.00 C ATOM 646 CG LYS A 151 122.899 5.765 10.638 1.00 0.00 C ATOM 647 CD LYS A 151 121.546 6.292 10.182 1.00 0.00 C ATOM 648 CE LYS A 151 120.393 5.612 10.912 1.00 0.00 C ATOM 649 NZ LYS A 151 120.529 5.721 12.390 1.00 0.00 N ATOM 0 H LYS A 151 124.715 4.592 8.706 1.00 0.00 H new ATOM 0 HA LYS A 151 124.871 3.971 11.524 1.00 0.00 H new ATOM 0 HB2 LYS A 151 122.557 3.976 9.522 1.00 0.00 H new ATOM 0 HB3 LYS A 151 122.370 3.790 11.255 1.00 0.00 H new ATOM 0 HG2 LYS A 151 123.065 6.037 11.680 1.00 0.00 H new ATOM 0 HG3 LYS A 151 123.690 6.237 10.056 1.00 0.00 H new ATOM 0 HD2 LYS A 151 121.499 7.368 10.353 1.00 0.00 H new ATOM 0 HD3 LYS A 151 121.439 6.135 9.109 1.00 0.00 H new ATOM 0 HE2 LYS A 151 119.450 6.062 10.600 1.00 0.00 H new ATOM 0 HE3 LYS A 151 120.354 4.560 10.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 151 119.663 5.368 12.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 151 121.342 5.155 12.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 151 120.677 6.716 12.653 1.00 0.00 H new ATOM 663 N THR A 152 124.415 1.608 9.309 1.00 0.00 N ATOM 664 CA THR A 152 124.337 0.161 9.149 1.00 0.00 C ATOM 665 C THR A 152 125.636 -0.472 9.594 1.00 0.00 C ATOM 666 O THR A 152 125.846 -1.677 9.454 1.00 0.00 O ATOM 667 CB THR A 152 124.031 -0.215 7.701 1.00 0.00 C ATOM 668 OG1 THR A 152 125.111 0.133 6.853 1.00 0.00 O ATOM 669 CG2 THR A 152 122.784 0.452 7.153 1.00 0.00 C ATOM 0 H THR A 152 124.541 2.127 8.440 1.00 0.00 H new ATOM 0 HA THR A 152 123.524 -0.213 9.771 1.00 0.00 H new ATOM 0 HB THR A 152 123.868 -1.293 7.715 1.00 0.00 H new ATOM 0 HG1 THR A 152 125.659 0.820 7.286 1.00 0.00 H new ATOM 0 HG21 THR A 152 122.628 0.139 6.120 1.00 0.00 H new ATOM 0 HG22 THR A 152 121.922 0.162 7.754 1.00 0.00 H new ATOM 0 HG23 THR A 152 122.904 1.535 7.190 1.00 0.00 H new ATOM 677 N ALA A 153 126.513 0.371 10.104 1.00 0.00 N ATOM 678 CA ALA A 153 127.819 -0.056 10.551 1.00 0.00 C ATOM 679 C ALA A 153 127.769 -1.278 11.472 1.00 0.00 C ATOM 680 O ALA A 153 128.543 -2.218 11.294 1.00 0.00 O ATOM 681 CB ALA A 153 128.533 1.093 11.246 1.00 0.00 C ATOM 0 H ALA A 153 126.338 1.369 10.219 1.00 0.00 H new ATOM 0 HA ALA A 153 128.373 -0.356 9.662 1.00 0.00 H new ATOM 0 HB1 ALA A 153 129.516 0.762 11.579 1.00 0.00 H new ATOM 0 HB2 ALA A 153 128.647 1.925 10.551 1.00 0.00 H new ATOM 0 HB3 ALA A 153 127.948 1.417 12.107 1.00 0.00 H new ATOM 687 N SER A 154 126.896 -1.250 12.488 1.00 0.00 N ATOM 688 CA SER A 154 126.820 -2.353 13.456 1.00 0.00 C ATOM 689 C SER A 154 125.495 -3.125 13.432 1.00 0.00 C ATOM 690 O SER A 154 125.251 -3.942 14.319 1.00 0.00 O ATOM 691 CB SER A 154 127.061 -1.813 14.866 1.00 0.00 C ATOM 692 OG SER A 154 126.996 -2.852 15.828 1.00 0.00 O ATOM 0 H SER A 154 126.241 -0.487 12.660 1.00 0.00 H new ATOM 0 HA SER A 154 127.594 -3.063 13.163 1.00 0.00 H new ATOM 0 HB2 SER A 154 128.037 -1.331 14.912 1.00 0.00 H new ATOM 0 HB3 SER A 154 126.318 -1.050 15.099 1.00 0.00 H new ATOM 0 HG SER A 154 126.211 -3.412 15.653 1.00 0.00 H new ATOM 698 N TYR A 155 124.645 -2.901 12.434 1.00 0.00 N ATOM 699 CA TYR A 155 123.379 -3.636 12.367 1.00 0.00 C ATOM 700 C TYR A 155 123.634 -5.133 12.409 1.00 0.00 C ATOM 701 O TYR A 155 124.496 -5.655 11.702 1.00 0.00 O ATOM 702 CB TYR A 155 122.591 -3.281 11.109 1.00 0.00 C ATOM 703 CG TYR A 155 121.772 -2.013 11.222 1.00 0.00 C ATOM 704 CD1 TYR A 155 122.331 -0.840 11.711 1.00 0.00 C ATOM 705 CD2 TYR A 155 120.443 -1.985 10.814 1.00 0.00 C ATOM 706 CE1 TYR A 155 121.589 0.323 11.793 1.00 0.00 C ATOM 707 CE2 TYR A 155 119.696 -0.826 10.895 1.00 0.00 C ATOM 708 CZ TYR A 155 120.273 0.324 11.385 1.00 0.00 C ATOM 709 OH TYR A 155 119.532 1.481 11.466 1.00 0.00 O ATOM 0 H TYR A 155 124.800 -2.235 11.677 1.00 0.00 H new ATOM 0 HA TYR A 155 122.784 -3.346 13.233 1.00 0.00 H new ATOM 0 HB2 TYR A 155 123.287 -3.177 10.276 1.00 0.00 H new ATOM 0 HB3 TYR A 155 121.925 -4.109 10.866 1.00 0.00 H new ATOM 0 HD1 TYR A 155 123.362 -0.836 12.032 1.00 0.00 H new ATOM 0 HD2 TYR A 155 119.987 -2.885 10.427 1.00 0.00 H new ATOM 0 HE1 TYR A 155 122.039 1.227 12.175 1.00 0.00 H new ATOM 0 HE2 TYR A 155 118.664 -0.822 10.576 1.00 0.00 H new ATOM 0 HH TYR A 155 118.624 1.312 11.138 1.00 0.00 H new ATOM 719 N THR A 156 122.876 -5.811 13.255 1.00 0.00 N ATOM 720 CA THR A 156 122.998 -7.253 13.428 1.00 0.00 C ATOM 721 C THR A 156 121.833 -7.976 12.771 1.00 0.00 C ATOM 722 O THR A 156 120.935 -7.349 12.211 1.00 0.00 O ATOM 723 CB THR A 156 123.042 -7.599 14.918 1.00 0.00 C ATOM 724 OG1 THR A 156 121.863 -7.163 15.570 1.00 0.00 O ATOM 725 CG2 THR A 156 124.220 -6.983 15.639 1.00 0.00 C ATOM 0 H THR A 156 122.160 -5.381 13.841 1.00 0.00 H new ATOM 0 HA THR A 156 123.923 -7.577 12.952 1.00 0.00 H new ATOM 0 HB THR A 156 123.137 -8.684 14.960 1.00 0.00 H new ATOM 0 HG1 THR A 156 121.910 -7.395 16.521 1.00 0.00 H new ATOM 0 HG21 THR A 156 124.192 -7.267 16.691 1.00 0.00 H new ATOM 0 HG22 THR A 156 125.148 -7.340 15.191 1.00 0.00 H new ATOM 0 HG23 THR A 156 124.171 -5.897 15.555 1.00 0.00 H new ATOM 733 N LYS A 157 121.856 -9.299 12.845 1.00 0.00 N ATOM 734 CA LYS A 157 120.803 -10.108 12.255 1.00 0.00 C ATOM 735 C LYS A 157 119.445 -9.779 12.858 1.00 0.00 C ATOM 736 O LYS A 157 118.424 -9.848 12.176 1.00 0.00 O ATOM 737 CB LYS A 157 121.099 -11.595 12.436 1.00 0.00 C ATOM 738 CG LYS A 157 119.934 -12.480 12.042 1.00 0.00 C ATOM 739 CD LYS A 157 120.370 -13.910 11.812 1.00 0.00 C ATOM 740 CE LYS A 157 121.013 -14.516 13.046 1.00 0.00 C ATOM 741 NZ LYS A 157 120.205 -14.275 14.273 1.00 0.00 N ATOM 0 H LYS A 157 122.592 -9.833 13.307 1.00 0.00 H new ATOM 0 HA LYS A 157 120.773 -9.876 11.190 1.00 0.00 H new ATOM 0 HB2 LYS A 157 121.970 -11.862 11.838 1.00 0.00 H new ATOM 0 HB3 LYS A 157 121.357 -11.785 13.478 1.00 0.00 H new ATOM 0 HG2 LYS A 157 119.175 -12.452 12.824 1.00 0.00 H new ATOM 0 HG3 LYS A 157 119.471 -12.090 11.135 1.00 0.00 H new ATOM 0 HD2 LYS A 157 119.507 -14.509 11.522 1.00 0.00 H new ATOM 0 HD3 LYS A 157 121.076 -13.944 10.982 1.00 0.00 H new ATOM 0 HE2 LYS A 157 121.138 -15.589 12.900 1.00 0.00 H new ATOM 0 HE3 LYS A 157 122.009 -14.094 13.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 120.348 -15.058 14.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 120.504 -13.383 14.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 119.198 -14.215 14.019 1.00 0.00 H new ATOM 755 N GLU A 158 119.432 -9.439 14.136 1.00 0.00 N ATOM 756 CA GLU A 158 118.185 -9.124 14.816 1.00 0.00 C ATOM 757 C GLU A 158 117.555 -7.856 14.283 1.00 0.00 C ATOM 758 O GLU A 158 116.394 -7.846 13.872 1.00 0.00 O ATOM 759 CB GLU A 158 118.456 -8.935 16.289 1.00 0.00 C ATOM 760 CG GLU A 158 117.219 -8.547 17.060 1.00 0.00 C ATOM 761 CD GLU A 158 117.451 -8.486 18.557 1.00 0.00 C ATOM 762 OE1 GLU A 158 117.826 -9.523 19.143 1.00 0.00 O ATOM 763 OE2 GLU A 158 117.260 -7.400 19.143 1.00 0.00 O ATOM 0 H GLU A 158 120.265 -9.374 14.721 1.00 0.00 H new ATOM 0 HA GLU A 158 117.497 -9.952 14.643 1.00 0.00 H new ATOM 0 HB2 GLU A 158 118.862 -9.858 16.702 1.00 0.00 H new ATOM 0 HB3 GLU A 158 119.217 -8.166 16.419 1.00 0.00 H new ATOM 0 HG2 GLU A 158 116.870 -7.575 16.712 1.00 0.00 H new ATOM 0 HG3 GLU A 158 116.426 -9.264 16.849 1.00 0.00 H new ATOM 770 N ASP A 159 118.335 -6.798 14.270 1.00 0.00 N ATOM 771 CA ASP A 159 117.874 -5.526 13.759 1.00 0.00 C ATOM 772 C ASP A 159 117.461 -5.710 12.318 1.00 0.00 C ATOM 773 O ASP A 159 116.601 -5.004 11.799 1.00 0.00 O ATOM 774 CB ASP A 159 118.995 -4.511 13.863 1.00 0.00 C ATOM 775 CG ASP A 159 118.500 -3.083 13.757 1.00 0.00 C ATOM 776 OD1 ASP A 159 117.677 -2.676 14.603 1.00 0.00 O ATOM 777 OD2 ASP A 159 118.934 -2.371 12.831 1.00 0.00 O ATOM 0 H ASP A 159 119.297 -6.794 14.609 1.00 0.00 H new ATOM 0 HA ASP A 159 117.022 -5.166 14.336 1.00 0.00 H new ATOM 0 HB2 ASP A 159 119.512 -4.643 14.813 1.00 0.00 H new ATOM 0 HB3 ASP A 159 119.724 -4.698 13.075 1.00 0.00 H new ATOM 782 N TRP A 160 118.090 -6.680 11.689 1.00 0.00 N ATOM 783 CA TRP A 160 117.797 -6.990 10.291 1.00 0.00 C ATOM 784 C TRP A 160 116.452 -7.707 10.149 1.00 0.00 C ATOM 785 O TRP A 160 115.644 -7.353 9.289 1.00 0.00 O ATOM 786 CB TRP A 160 118.919 -7.812 9.656 1.00 0.00 C ATOM 787 CG TRP A 160 120.111 -6.989 9.253 1.00 0.00 C ATOM 788 CD1 TRP A 160 121.418 -7.231 9.569 1.00 0.00 C ATOM 789 CD2 TRP A 160 120.109 -5.805 8.439 1.00 0.00 C ATOM 790 NE1 TRP A 160 122.224 -6.263 9.020 1.00 0.00 N ATOM 791 CE2 TRP A 160 121.447 -5.379 8.322 1.00 0.00 C ATOM 792 CE3 TRP A 160 119.111 -5.057 7.800 1.00 0.00 C ATOM 793 CZ2 TRP A 160 121.811 -4.246 7.598 1.00 0.00 C ATOM 794 CZ3 TRP A 160 119.476 -3.934 7.081 1.00 0.00 C ATOM 795 CH2 TRP A 160 120.814 -3.538 6.986 1.00 0.00 C ATOM 0 H TRP A 160 118.806 -7.270 12.114 1.00 0.00 H new ATOM 0 HA TRP A 160 117.731 -6.043 9.756 1.00 0.00 H new ATOM 0 HB2 TRP A 160 119.239 -8.580 10.360 1.00 0.00 H new ATOM 0 HB3 TRP A 160 118.529 -8.327 8.778 1.00 0.00 H new ATOM 0 HD1 TRP A 160 121.767 -8.062 10.164 1.00 0.00 H new ATOM 0 HE1 TRP A 160 123.238 -6.212 9.117 1.00 0.00 H new ATOM 0 HE3 TRP A 160 118.075 -5.353 7.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 160 122.843 -3.938 7.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 160 118.714 -3.352 6.584 1.00 0.00 H new ATOM 0 HH2 TRP A 160 121.065 -2.655 6.417 1.00 0.00 H new ATOM 806 N GLN A 161 116.205 -8.700 10.997 1.00 0.00 N ATOM 807 CA GLN A 161 114.944 -9.438 10.951 1.00 0.00 C ATOM 808 C GLN A 161 113.774 -8.535 11.315 1.00 0.00 C ATOM 809 O GLN A 161 112.681 -8.662 10.762 1.00 0.00 O ATOM 810 CB GLN A 161 114.967 -10.642 11.898 1.00 0.00 C ATOM 811 CG GLN A 161 115.879 -11.768 11.447 1.00 0.00 C ATOM 812 CD GLN A 161 115.712 -13.018 12.289 1.00 0.00 C ATOM 813 OE1 GLN A 161 116.783 -13.433 12.954 1.00 0.00 O flip ATOM 814 NE2 GLN A 161 114.630 -13.603 12.345 1.00 0.00 N flip ATOM 0 H GLN A 161 116.854 -9.012 11.719 1.00 0.00 H new ATOM 0 HA GLN A 161 114.819 -9.797 9.929 1.00 0.00 H new ATOM 0 HB2 GLN A 161 115.282 -10.307 12.886 1.00 0.00 H new ATOM 0 HB3 GLN A 161 113.953 -11.029 12.001 1.00 0.00 H new ATOM 0 HG2 GLN A 161 115.671 -12.005 10.404 1.00 0.00 H new ATOM 0 HG3 GLN A 161 116.916 -11.435 11.497 1.00 0.00 H new ATOM 0 HE21 GLN A 161 113.831 -13.250 11.818 1.00 0.00 H new ATOM 0 HE22 GLN A 161 114.532 -14.441 12.919 1.00 0.00 H new ATOM 823 N ARG A 162 114.009 -7.629 12.254 1.00 0.00 N ATOM 824 CA ARG A 162 112.978 -6.708 12.703 1.00 0.00 C ATOM 825 C ARG A 162 112.431 -5.881 11.543 1.00 0.00 C ATOM 826 O ARG A 162 111.219 -5.769 11.362 1.00 0.00 O ATOM 827 CB ARG A 162 113.547 -5.788 13.781 1.00 0.00 C ATOM 828 CG ARG A 162 112.569 -4.740 14.275 1.00 0.00 C ATOM 829 CD ARG A 162 113.208 -3.858 15.331 1.00 0.00 C ATOM 830 NE ARG A 162 113.542 -4.604 16.541 1.00 0.00 N ATOM 831 CZ ARG A 162 114.112 -4.058 17.609 1.00 0.00 C ATOM 832 NH1 ARG A 162 114.409 -2.765 17.617 1.00 0.00 N ATOM 833 NH2 ARG A 162 114.384 -4.802 18.672 1.00 0.00 N ATOM 0 H ARG A 162 114.909 -7.513 12.720 1.00 0.00 H new ATOM 0 HA ARG A 162 112.154 -7.290 13.117 1.00 0.00 H new ATOM 0 HB2 ARG A 162 113.873 -6.394 14.627 1.00 0.00 H new ATOM 0 HB3 ARG A 162 114.432 -5.288 13.388 1.00 0.00 H new ATOM 0 HG2 ARG A 162 112.233 -4.127 13.438 1.00 0.00 H new ATOM 0 HG3 ARG A 162 111.686 -5.227 14.688 1.00 0.00 H new ATOM 0 HD2 ARG A 162 114.112 -3.404 14.925 1.00 0.00 H new ATOM 0 HD3 ARG A 162 112.528 -3.044 15.583 1.00 0.00 H new ATOM 0 HE ARG A 162 113.325 -5.600 16.567 1.00 0.00 H new ATOM 0 HH11 ARG A 162 114.200 -2.189 16.802 1.00 0.00 H new ATOM 0 HH12 ARG A 162 114.847 -2.347 18.438 1.00 0.00 H new ATOM 0 HH21 ARG A 162 114.155 -5.796 18.671 1.00 0.00 H new ATOM 0 HH22 ARG A 162 114.822 -4.380 19.491 1.00 0.00 H new ATOM 847 N ILE A 163 113.335 -5.298 10.766 1.00 0.00 N ATOM 848 CA ILE A 163 112.952 -4.468 9.629 1.00 0.00 C ATOM 849 C ILE A 163 112.147 -5.243 8.593 1.00 0.00 C ATOM 850 O ILE A 163 111.260 -4.684 7.951 1.00 0.00 O ATOM 851 CB ILE A 163 114.184 -3.849 8.948 1.00 0.00 C ATOM 852 CG1 ILE A 163 114.939 -2.958 9.934 1.00 0.00 C ATOM 853 CG2 ILE A 163 113.768 -3.059 7.716 1.00 0.00 C ATOM 854 CD1 ILE A 163 114.094 -1.851 10.527 1.00 0.00 C ATOM 0 H ILE A 163 114.342 -5.385 10.902 1.00 0.00 H new ATOM 0 HA ILE A 163 112.323 -3.675 10.033 1.00 0.00 H new ATOM 0 HB ILE A 163 114.850 -4.651 8.629 1.00 0.00 H new ATOM 0 HG12 ILE A 163 115.330 -3.576 10.742 1.00 0.00 H new ATOM 0 HG13 ILE A 163 115.797 -2.516 9.427 1.00 0.00 H new ATOM 0 HG21 ILE A 163 114.651 -2.627 7.245 1.00 0.00 H new ATOM 0 HG22 ILE A 163 113.268 -3.722 7.010 1.00 0.00 H new ATOM 0 HG23 ILE A 163 113.086 -2.261 8.009 1.00 0.00 H new ATOM 0 HD11 ILE A 163 114.698 -1.262 11.217 1.00 0.00 H new ATOM 0 HD12 ILE A 163 113.724 -1.208 9.728 1.00 0.00 H new ATOM 0 HD13 ILE A 163 113.250 -2.285 11.064 1.00 0.00 H new ATOM 866 N GLN A 164 112.452 -6.522 8.413 1.00 0.00 N ATOM 867 CA GLN A 164 111.724 -7.317 7.431 1.00 0.00 C ATOM 868 C GLN A 164 110.267 -7.492 7.857 1.00 0.00 C ATOM 869 O GLN A 164 109.357 -7.287 7.054 1.00 0.00 O ATOM 870 CB GLN A 164 112.398 -8.673 7.201 1.00 0.00 C ATOM 871 CG GLN A 164 111.676 -9.546 6.186 1.00 0.00 C ATOM 872 CD GLN A 164 111.583 -8.897 4.819 1.00 0.00 C ATOM 873 OE1 GLN A 164 112.598 -8.587 4.196 1.00 0.00 O ATOM 874 NE2 GLN A 164 110.360 -8.686 4.346 1.00 0.00 N ATOM 0 H GLN A 164 113.181 -7.023 8.921 1.00 0.00 H new ATOM 0 HA GLN A 164 111.741 -6.780 6.483 1.00 0.00 H new ATOM 0 HB2 GLN A 164 113.421 -8.508 6.864 1.00 0.00 H new ATOM 0 HB3 GLN A 164 112.457 -9.206 8.150 1.00 0.00 H new ATOM 0 HG2 GLN A 164 112.197 -10.499 6.097 1.00 0.00 H new ATOM 0 HG3 GLN A 164 110.672 -9.764 6.549 1.00 0.00 H new ATOM 0 HE21 GLN A 164 109.546 -8.959 4.897 1.00 0.00 H new ATOM 0 HE22 GLN A 164 110.235 -8.251 3.432 1.00 0.00 H new ATOM 883 N ASP A 165 110.039 -7.858 9.115 1.00 0.00 N ATOM 884 CA ASP A 165 108.674 -8.034 9.604 1.00 0.00 C ATOM 885 C ASP A 165 107.863 -6.764 9.356 1.00 0.00 C ATOM 886 O ASP A 165 106.647 -6.812 9.171 1.00 0.00 O ATOM 887 CB ASP A 165 108.667 -8.368 11.097 1.00 0.00 C ATOM 888 CG ASP A 165 109.068 -7.187 11.956 1.00 0.00 C ATOM 889 OD1 ASP A 165 108.432 -6.118 11.833 1.00 0.00 O ATOM 890 OD2 ASP A 165 110.008 -7.332 12.761 1.00 0.00 O ATOM 0 H ASP A 165 110.768 -8.036 9.805 1.00 0.00 H new ATOM 0 HA ASP A 165 108.222 -8.865 9.062 1.00 0.00 H new ATOM 0 HB2 ASP A 165 107.671 -8.703 11.387 1.00 0.00 H new ATOM 0 HB3 ASP A 165 109.349 -9.198 11.284 1.00 0.00 H new ATOM 895 N GLU A 166 108.559 -5.630 9.342 1.00 0.00 N ATOM 896 CA GLU A 166 107.915 -4.341 9.103 1.00 0.00 C ATOM 897 C GLU A 166 107.444 -4.243 7.653 1.00 0.00 C ATOM 898 O GLU A 166 106.356 -3.738 7.373 1.00 0.00 O ATOM 899 CB GLU A 166 108.863 -3.184 9.438 1.00 0.00 C ATOM 900 CG GLU A 166 109.206 -3.086 10.916 1.00 0.00 C ATOM 901 CD GLU A 166 110.063 -1.878 11.237 1.00 0.00 C ATOM 902 OE1 GLU A 166 111.171 -1.767 10.674 1.00 0.00 O ATOM 903 OE2 GLU A 166 109.625 -1.041 12.055 1.00 0.00 O ATOM 0 H GLU A 166 109.566 -5.577 9.493 1.00 0.00 H new ATOM 0 HA GLU A 166 107.047 -4.268 9.758 1.00 0.00 H new ATOM 0 HB2 GLU A 166 109.784 -3.303 8.867 1.00 0.00 H new ATOM 0 HB3 GLU A 166 108.407 -2.247 9.117 1.00 0.00 H new ATOM 0 HG2 GLU A 166 108.285 -3.038 11.496 1.00 0.00 H new ATOM 0 HG3 GLU A 166 109.730 -3.991 11.224 1.00 0.00 H new ATOM 910 N ALA A 167 108.266 -4.735 6.735 1.00 0.00 N ATOM 911 CA ALA A 167 107.926 -4.710 5.318 1.00 0.00 C ATOM 912 C ALA A 167 106.860 -5.753 4.996 1.00 0.00 C ATOM 913 O ALA A 167 106.112 -5.618 4.025 1.00 0.00 O ATOM 914 CB ALA A 167 109.169 -4.944 4.473 1.00 0.00 C ATOM 0 H ALA A 167 109.171 -5.155 6.945 1.00 0.00 H new ATOM 0 HA ALA A 167 107.521 -3.726 5.081 1.00 0.00 H new ATOM 0 HB1 ALA A 167 108.900 -4.923 3.417 1.00 0.00 H new ATOM 0 HB2 ALA A 167 109.900 -4.162 4.677 1.00 0.00 H new ATOM 0 HB3 ALA A 167 109.598 -5.915 4.719 1.00 0.00 H new ATOM 920 N ASP A 168 106.792 -6.796 5.817 1.00 0.00 N ATOM 921 CA ASP A 168 105.816 -7.859 5.615 1.00 0.00 C ATOM 922 C ASP A 168 104.401 -7.338 5.847 1.00 0.00 C ATOM 923 O ASP A 168 103.538 -7.442 4.973 1.00 0.00 O ATOM 924 CB ASP A 168 106.105 -9.033 6.550 1.00 0.00 C ATOM 925 CG ASP A 168 105.275 -10.255 6.212 1.00 0.00 C ATOM 926 OD1 ASP A 168 104.033 -10.136 6.176 1.00 0.00 O ATOM 927 OD2 ASP A 168 105.867 -11.331 5.982 1.00 0.00 O ATOM 0 H ASP A 168 107.399 -6.927 6.626 1.00 0.00 H new ATOM 0 HA ASP A 168 105.894 -8.205 4.584 1.00 0.00 H new ATOM 0 HB2 ASP A 168 107.163 -9.288 6.493 1.00 0.00 H new ATOM 0 HB3 ASP A 168 105.904 -8.733 7.579 1.00 0.00 H new ATOM 932 N GLU A 169 104.172 -6.767 7.023 1.00 0.00 N ATOM 933 CA GLU A 169 102.865 -6.218 7.357 1.00 0.00 C ATOM 934 C GLU A 169 102.445 -5.198 6.305 1.00 0.00 C ATOM 935 O GLU A 169 101.264 -5.065 5.984 1.00 0.00 O ATOM 936 CB GLU A 169 102.881 -5.566 8.742 1.00 0.00 C ATOM 937 CG GLU A 169 103.824 -4.382 8.849 1.00 0.00 C ATOM 938 CD GLU A 169 103.778 -3.722 10.212 1.00 0.00 C ATOM 939 OE1 GLU A 169 103.007 -4.193 11.075 1.00 0.00 O ATOM 940 OE2 GLU A 169 104.514 -2.734 10.419 1.00 0.00 O ATOM 0 H GLU A 169 104.872 -6.672 7.759 1.00 0.00 H new ATOM 0 HA GLU A 169 102.145 -7.036 7.374 1.00 0.00 H new ATOM 0 HB2 GLU A 169 101.872 -5.239 8.991 1.00 0.00 H new ATOM 0 HB3 GLU A 169 103.166 -6.314 9.482 1.00 0.00 H new ATOM 0 HG2 GLU A 169 104.842 -4.713 8.644 1.00 0.00 H new ATOM 0 HG3 GLU A 169 103.568 -3.648 8.085 1.00 0.00 H new ATOM 947 N LEU A 170 103.430 -4.475 5.778 1.00 0.00 N ATOM 948 CA LEU A 170 103.199 -3.468 4.777 1.00 0.00 C ATOM 949 C LEU A 170 102.590 -4.053 3.500 1.00 0.00 C ATOM 950 O LEU A 170 101.803 -3.394 2.827 1.00 0.00 O ATOM 951 CB LEU A 170 104.521 -2.773 4.483 1.00 0.00 C ATOM 952 CG LEU A 170 104.428 -1.660 3.462 1.00 0.00 C ATOM 953 CD1 LEU A 170 105.624 -0.725 3.576 1.00 0.00 C ATOM 954 CD2 LEU A 170 104.308 -2.225 2.046 1.00 0.00 C ATOM 0 H LEU A 170 104.410 -4.581 6.042 1.00 0.00 H new ATOM 0 HA LEU A 170 102.474 -2.749 5.158 1.00 0.00 H new ATOM 0 HB2 LEU A 170 104.918 -2.365 5.413 1.00 0.00 H new ATOM 0 HB3 LEU A 170 105.237 -3.515 4.130 1.00 0.00 H new ATOM 0 HG LEU A 170 103.526 -1.084 3.669 1.00 0.00 H new ATOM 0 HD11 LEU A 170 105.538 0.068 2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 170 105.649 -0.287 4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 170 106.542 -1.286 3.403 1.00 0.00 H new ATOM 0 HD21 LEU A 170 104.243 -1.405 1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 170 105.184 -2.833 1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 170 103.411 -2.841 1.975 1.00 0.00 H new ATOM 966 N THR A 171 102.946 -5.287 3.159 1.00 0.00 N ATOM 967 CA THR A 171 102.400 -5.908 1.950 1.00 0.00 C ATOM 968 C THR A 171 100.940 -6.268 2.120 1.00 0.00 C ATOM 969 O THR A 171 100.102 -5.861 1.323 1.00 0.00 O ATOM 970 CB THR A 171 103.183 -7.157 1.571 1.00 0.00 C ATOM 971 OG1 THR A 171 103.482 -7.932 2.718 1.00 0.00 O ATOM 972 CG2 THR A 171 104.474 -6.866 0.859 1.00 0.00 C ATOM 0 H THR A 171 103.596 -5.869 3.687 1.00 0.00 H new ATOM 0 HA THR A 171 102.490 -5.172 1.151 1.00 0.00 H new ATOM 0 HB THR A 171 102.533 -7.703 0.887 1.00 0.00 H new ATOM 0 HG1 THR A 171 103.162 -7.467 3.519 1.00 0.00 H new ATOM 0 HG21 THR A 171 104.977 -7.803 0.620 1.00 0.00 H new ATOM 0 HG22 THR A 171 104.267 -6.321 -0.062 1.00 0.00 H new ATOM 0 HG23 THR A 171 105.116 -6.263 1.501 1.00 0.00 H new ATOM 980 N ARG A 172 100.619 -7.029 3.139 1.00 0.00 N ATOM 981 CA ARG A 172 99.255 -7.419 3.333 1.00 0.00 C ATOM 982 C ARG A 172 98.333 -6.223 3.276 1.00 0.00 C ATOM 983 O ARG A 172 97.250 -6.293 2.695 1.00 0.00 O ATOM 984 CB ARG A 172 99.076 -8.072 4.681 1.00 0.00 C ATOM 985 CG ARG A 172 99.983 -9.279 4.922 1.00 0.00 C ATOM 986 CD ARG A 172 100.851 -9.109 6.157 1.00 0.00 C ATOM 987 NE ARG A 172 101.396 -10.383 6.621 1.00 0.00 N ATOM 988 CZ ARG A 172 102.080 -10.523 7.752 1.00 0.00 C ATOM 989 NH1 ARG A 172 102.299 -9.473 8.532 1.00 0.00 N ATOM 990 NH2 ARG A 172 102.545 -11.713 8.106 1.00 0.00 N ATOM 0 H ARG A 172 101.277 -7.383 3.834 1.00 0.00 H new ATOM 0 HA ARG A 172 99.007 -8.118 2.535 1.00 0.00 H new ATOM 0 HB2 ARG A 172 99.263 -7.331 5.458 1.00 0.00 H new ATOM 0 HB3 ARG A 172 98.037 -8.387 4.784 1.00 0.00 H new ATOM 0 HG2 ARG A 172 99.371 -10.175 5.031 1.00 0.00 H new ATOM 0 HG3 ARG A 172 100.620 -9.432 4.051 1.00 0.00 H new ATOM 0 HD2 ARG A 172 101.669 -8.424 5.934 1.00 0.00 H new ATOM 0 HD3 ARG A 172 100.263 -8.654 6.954 1.00 0.00 H new ATOM 0 HE ARG A 172 101.243 -11.211 6.045 1.00 0.00 H new ATOM 0 HH11 ARG A 172 101.942 -8.556 8.264 1.00 0.00 H new ATOM 0 HH12 ARG A 172 102.824 -9.583 9.400 1.00 0.00 H new ATOM 0 HH21 ARG A 172 102.378 -12.524 7.510 1.00 0.00 H new ATOM 0 HH22 ARG A 172 103.070 -11.818 8.974 1.00 0.00 H new ATOM 1004 N ARG A 173 98.735 -5.130 3.915 1.00 0.00 N ATOM 1005 CA ARG A 173 97.891 -3.959 3.949 1.00 0.00 C ATOM 1006 C ARG A 173 97.828 -3.277 2.576 1.00 0.00 C ATOM 1007 O ARG A 173 96.741 -3.063 2.038 1.00 0.00 O ATOM 1008 CB ARG A 173 98.358 -2.980 5.027 1.00 0.00 C ATOM 1009 CG ARG A 173 99.591 -2.191 4.651 1.00 0.00 C ATOM 1010 CD ARG A 173 100.139 -1.381 5.821 1.00 0.00 C ATOM 1011 NE ARG A 173 99.217 -0.336 6.260 1.00 0.00 N ATOM 1012 CZ ARG A 173 98.151 -0.557 7.024 1.00 0.00 C ATOM 1013 NH1 ARG A 173 97.910 -1.771 7.499 1.00 0.00 N ATOM 1014 NH2 ARG A 173 97.336 0.443 7.331 1.00 0.00 N ATOM 0 H ARG A 173 99.624 -5.038 4.406 1.00 0.00 H new ATOM 0 HA ARG A 173 96.882 -4.284 4.203 1.00 0.00 H new ATOM 0 HB2 ARG A 173 97.548 -2.285 5.247 1.00 0.00 H new ATOM 0 HB3 ARG A 173 98.560 -3.534 5.943 1.00 0.00 H new ATOM 0 HG2 ARG A 173 100.361 -2.874 4.292 1.00 0.00 H new ATOM 0 HG3 ARG A 173 99.352 -1.519 3.827 1.00 0.00 H new ATOM 0 HD2 ARG A 173 100.348 -2.050 6.656 1.00 0.00 H new ATOM 0 HD3 ARG A 173 101.087 -0.927 5.532 1.00 0.00 H new ATOM 0 HE ARG A 173 99.402 0.622 5.962 1.00 0.00 H new ATOM 0 HH11 ARG A 173 98.543 -2.540 7.279 1.00 0.00 H new ATOM 0 HH12 ARG A 173 97.091 -1.936 8.085 1.00 0.00 H new ATOM 0 HH21 ARG A 173 97.527 1.382 6.981 1.00 0.00 H new ATOM 0 HH22 ARG A 173 96.519 0.273 7.917 1.00 0.00 H new ATOM 1028 N PHE A 174 98.992 -2.961 1.995 1.00 0.00 N ATOM 1029 CA PHE A 174 99.033 -2.337 0.666 1.00 0.00 C ATOM 1030 C PHE A 174 98.305 -3.203 -0.335 1.00 0.00 C ATOM 1031 O PHE A 174 97.523 -2.726 -1.144 1.00 0.00 O ATOM 1032 CB PHE A 174 100.468 -2.155 0.152 1.00 0.00 C ATOM 1033 CG PHE A 174 101.164 -0.901 0.627 1.00 0.00 C ATOM 1034 CD1 PHE A 174 101.339 -0.641 1.973 1.00 0.00 C ATOM 1035 CD2 PHE A 174 101.647 0.020 -0.294 1.00 0.00 C ATOM 1036 CE1 PHE A 174 101.981 0.508 2.396 1.00 0.00 C ATOM 1037 CE2 PHE A 174 102.288 1.170 0.122 1.00 0.00 C ATOM 1038 CZ PHE A 174 102.456 1.414 1.470 1.00 0.00 C ATOM 0 H PHE A 174 99.906 -3.124 2.417 1.00 0.00 H new ATOM 0 HA PHE A 174 98.561 -1.360 0.769 1.00 0.00 H new ATOM 0 HB2 PHE A 174 101.059 -3.018 0.458 1.00 0.00 H new ATOM 0 HB3 PHE A 174 100.449 -2.151 -0.938 1.00 0.00 H new ATOM 0 HD1 PHE A 174 100.969 -1.345 2.704 1.00 0.00 H new ATOM 0 HD2 PHE A 174 101.519 -0.166 -1.350 1.00 0.00 H new ATOM 0 HE1 PHE A 174 102.111 0.697 3.451 1.00 0.00 H new ATOM 0 HE2 PHE A 174 102.657 1.877 -0.606 1.00 0.00 H new ATOM 0 HZ PHE A 174 102.958 2.312 1.799 1.00 0.00 H new ATOM 1048 N VAL A 175 98.605 -4.479 -0.299 1.00 0.00 N ATOM 1049 CA VAL A 175 98.012 -5.411 -1.228 1.00 0.00 C ATOM 1050 C VAL A 175 96.501 -5.542 -0.999 1.00 0.00 C ATOM 1051 O VAL A 175 95.716 -5.502 -1.947 1.00 0.00 O ATOM 1052 CB VAL A 175 98.700 -6.784 -1.135 1.00 0.00 C ATOM 1053 CG1 VAL A 175 98.327 -7.622 -2.327 1.00 0.00 C ATOM 1054 CG2 VAL A 175 100.224 -6.645 -1.065 1.00 0.00 C ATOM 0 H VAL A 175 99.257 -4.896 0.365 1.00 0.00 H new ATOM 0 HA VAL A 175 98.162 -5.019 -2.234 1.00 0.00 H new ATOM 0 HB VAL A 175 98.360 -7.267 -0.219 1.00 0.00 H new ATOM 0 HG11 VAL A 175 98.817 -8.593 -2.257 1.00 0.00 H new ATOM 0 HG12 VAL A 175 97.246 -7.761 -2.350 1.00 0.00 H new ATOM 0 HG13 VAL A 175 98.647 -7.120 -3.240 1.00 0.00 H new ATOM 0 HG21 VAL A 175 100.677 -7.634 -1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 175 100.585 -6.139 -1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 175 100.496 -6.063 -0.185 1.00 0.00 H new ATOM 1064 N ALA A 176 96.105 -5.700 0.261 1.00 0.00 N ATOM 1065 CA ALA A 176 94.690 -5.839 0.623 1.00 0.00 C ATOM 1066 C ALA A 176 93.869 -4.640 0.153 1.00 0.00 C ATOM 1067 O ALA A 176 92.804 -4.792 -0.445 1.00 0.00 O ATOM 1068 CB ALA A 176 94.555 -6.003 2.128 1.00 0.00 C ATOM 0 H ALA A 176 96.745 -5.736 1.055 1.00 0.00 H new ATOM 0 HA ALA A 176 94.302 -6.726 0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 176 93.502 -6.106 2.390 1.00 0.00 H new ATOM 0 HB2 ALA A 176 95.097 -6.893 2.447 1.00 0.00 H new ATOM 0 HB3 ALA A 176 94.969 -5.128 2.628 1.00 0.00 H new ATOM 1074 N LEU A 177 94.398 -3.453 0.410 1.00 0.00 N ATOM 1075 CA LEU A 177 93.742 -2.214 -0.003 1.00 0.00 C ATOM 1076 C LEU A 177 93.594 -2.187 -1.523 1.00 0.00 C ATOM 1077 O LEU A 177 92.543 -1.803 -2.037 1.00 0.00 O ATOM 1078 CB LEU A 177 94.505 -0.982 0.518 1.00 0.00 C ATOM 1079 CG LEU A 177 95.755 -0.568 -0.251 1.00 0.00 C ATOM 1080 CD1 LEU A 177 95.388 0.065 -1.588 1.00 0.00 C ATOM 1081 CD2 LEU A 177 96.587 0.391 0.590 1.00 0.00 C ATOM 0 H LEU A 177 95.281 -3.318 0.903 1.00 0.00 H new ATOM 0 HA LEU A 177 92.745 -2.179 0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 177 93.817 -0.136 0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 177 94.791 -1.173 1.552 1.00 0.00 H new ATOM 0 HG LEU A 177 96.347 -1.459 -0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 177 96.297 0.351 -2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 177 94.829 -0.652 -2.189 1.00 0.00 H new ATOM 0 HD13 LEU A 177 94.775 0.949 -1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 177 97.478 0.683 0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 177 95.997 1.278 0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 177 96.882 -0.100 1.517 1.00 0.00 H new ATOM 1093 N MET A 178 94.628 -2.607 -2.247 1.00 0.00 N ATOM 1094 CA MET A 178 94.556 -2.630 -3.708 1.00 0.00 C ATOM 1095 C MET A 178 93.358 -3.458 -4.166 1.00 0.00 C ATOM 1096 O MET A 178 92.642 -3.071 -5.089 1.00 0.00 O ATOM 1097 CB MET A 178 95.830 -3.220 -4.319 1.00 0.00 C ATOM 1098 CG MET A 178 97.083 -2.395 -4.094 1.00 0.00 C ATOM 1099 SD MET A 178 98.572 -3.274 -4.600 1.00 0.00 S ATOM 1100 CE MET A 178 99.842 -2.164 -4.006 1.00 0.00 C ATOM 0 H MET A 178 95.512 -2.931 -1.856 1.00 0.00 H new ATOM 0 HA MET A 178 94.447 -1.600 -4.047 1.00 0.00 H new ATOM 0 HB2 MET A 178 95.988 -4.216 -3.904 1.00 0.00 H new ATOM 0 HB3 MET A 178 95.679 -3.342 -5.392 1.00 0.00 H new ATOM 0 HG2 MET A 178 97.007 -1.461 -4.651 1.00 0.00 H new ATOM 0 HG3 MET A 178 97.159 -2.132 -3.039 1.00 0.00 H new ATOM 0 HE1 MET A 178 100.693 -2.743 -3.648 1.00 0.00 H new ATOM 0 HE2 MET A 178 100.163 -1.511 -4.818 1.00 0.00 H new ATOM 0 HE3 MET A 178 99.445 -1.560 -3.190 1.00 0.00 H new ATOM 1110 N ASP A 179 93.148 -4.601 -3.520 1.00 0.00 N ATOM 1111 CA ASP A 179 92.040 -5.483 -3.870 1.00 0.00 C ATOM 1112 C ASP A 179 90.694 -4.778 -3.733 1.00 0.00 C ATOM 1113 O ASP A 179 89.770 -5.034 -4.506 1.00 0.00 O ATOM 1114 CB ASP A 179 92.055 -6.727 -2.986 1.00 0.00 C ATOM 1115 CG ASP A 179 93.305 -7.564 -3.184 1.00 0.00 C ATOM 1116 OD1 ASP A 179 93.537 -8.024 -4.321 1.00 0.00 O ATOM 1117 OD2 ASP A 179 94.051 -7.759 -2.200 1.00 0.00 O ATOM 0 H ASP A 179 93.730 -4.938 -2.753 1.00 0.00 H new ATOM 0 HA ASP A 179 92.170 -5.772 -4.913 1.00 0.00 H new ATOM 0 HB2 ASP A 179 91.984 -6.427 -1.941 1.00 0.00 H new ATOM 0 HB3 ASP A 179 91.176 -7.334 -3.204 1.00 0.00 H new ATOM 1122 N ALA A 180 90.581 -3.899 -2.744 1.00 0.00 N ATOM 1123 CA ALA A 180 89.337 -3.175 -2.511 1.00 0.00 C ATOM 1124 C ALA A 180 88.960 -2.336 -3.726 1.00 0.00 C ATOM 1125 O ALA A 180 87.806 -1.941 -3.885 1.00 0.00 O ATOM 1126 CB ALA A 180 89.449 -2.304 -1.270 1.00 0.00 C ATOM 0 H ALA A 180 91.332 -3.671 -2.093 1.00 0.00 H new ATOM 0 HA ALA A 180 88.545 -3.906 -2.347 1.00 0.00 H new ATOM 0 HB1 ALA A 180 88.511 -1.772 -1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 180 89.660 -2.931 -0.403 1.00 0.00 H new ATOM 0 HB3 ALA A 180 90.257 -1.584 -1.402 1.00 0.00 H new ATOM 1132 N GLY A 181 89.936 -2.076 -4.588 1.00 0.00 N ATOM 1133 CA GLY A 181 89.679 -1.296 -5.783 1.00 0.00 C ATOM 1134 C GLY A 181 89.662 0.194 -5.517 1.00 0.00 C ATOM 1135 O GLY A 181 88.985 0.948 -6.215 1.00 0.00 O ATOM 0 H GLY A 181 90.900 -2.391 -4.481 1.00 0.00 H new ATOM 0 HA2 GLY A 181 90.442 -1.519 -6.528 1.00 0.00 H new ATOM 0 HA3 GLY A 181 88.721 -1.596 -6.208 1.00 0.00 H new ATOM 1139 N GLU A 182 90.417 0.623 -4.511 1.00 0.00 N ATOM 1140 CA GLU A 182 90.491 2.037 -4.166 1.00 0.00 C ATOM 1141 C GLU A 182 91.727 2.672 -4.807 1.00 0.00 C ATOM 1142 O GLU A 182 92.779 2.037 -4.880 1.00 0.00 O ATOM 1143 CB GLU A 182 90.509 2.211 -2.641 1.00 0.00 C ATOM 1144 CG GLU A 182 91.646 1.480 -1.935 1.00 0.00 C ATOM 1145 CD GLU A 182 92.915 2.306 -1.834 1.00 0.00 C ATOM 1146 OE1 GLU A 182 93.466 2.686 -2.884 1.00 0.00 O ATOM 1147 OE2 GLU A 182 93.357 2.573 -0.696 1.00 0.00 O ATOM 0 H GLU A 182 90.985 0.013 -3.922 1.00 0.00 H new ATOM 0 HA GLU A 182 89.608 2.545 -4.554 1.00 0.00 H new ATOM 0 HB2 GLU A 182 90.578 3.274 -2.410 1.00 0.00 H new ATOM 0 HB3 GLU A 182 89.560 1.858 -2.236 1.00 0.00 H new ATOM 0 HG2 GLU A 182 91.322 1.199 -0.933 1.00 0.00 H new ATOM 0 HG3 GLU A 182 91.863 0.556 -2.470 1.00 0.00 H new ATOM 1154 N PRO A 183 91.629 3.925 -5.304 1.00 0.00 N ATOM 1155 CA PRO A 183 92.767 4.587 -5.945 1.00 0.00 C ATOM 1156 C PRO A 183 93.955 4.743 -5.005 1.00 0.00 C ATOM 1157 O PRO A 183 93.810 4.780 -3.786 1.00 0.00 O ATOM 1158 CB PRO A 183 92.230 5.956 -6.378 1.00 0.00 C ATOM 1159 CG PRO A 183 90.742 5.835 -6.327 1.00 0.00 C ATOM 1160 CD PRO A 183 90.426 4.776 -5.302 1.00 0.00 C ATOM 0 HA PRO A 183 93.143 3.998 -6.782 1.00 0.00 H new ATOM 0 HB2 PRO A 183 92.583 6.744 -5.713 1.00 0.00 H new ATOM 0 HB3 PRO A 183 92.569 6.211 -7.382 1.00 0.00 H new ATOM 0 HG2 PRO A 183 90.286 6.786 -6.053 1.00 0.00 H new ATOM 0 HG3 PRO A 183 90.343 5.560 -7.303 1.00 0.00 H new ATOM 0 HD2 PRO A 183 90.243 5.211 -4.319 1.00 0.00 H new ATOM 0 HD3 PRO A 183 89.534 4.210 -5.571 1.00 0.00 H new ATOM 1168 N ALA A 184 95.133 4.800 -5.607 1.00 0.00 N ATOM 1169 CA ALA A 184 96.387 4.911 -4.875 1.00 0.00 C ATOM 1170 C ALA A 184 96.525 6.242 -4.143 1.00 0.00 C ATOM 1171 O ALA A 184 97.265 6.330 -3.162 1.00 0.00 O ATOM 1172 CB ALA A 184 97.563 4.695 -5.822 1.00 0.00 C ATOM 0 H ALA A 184 95.247 4.771 -6.620 1.00 0.00 H new ATOM 0 HA ALA A 184 96.387 4.134 -4.111 1.00 0.00 H new ATOM 0 HB1 ALA A 184 98.497 4.780 -5.267 1.00 0.00 H new ATOM 0 HB2 ALA A 184 97.494 3.703 -6.267 1.00 0.00 H new ATOM 0 HB3 ALA A 184 97.539 5.448 -6.609 1.00 0.00 H new ATOM 1178 N ASP A 185 95.817 7.276 -4.591 1.00 0.00 N ATOM 1179 CA ASP A 185 95.889 8.575 -3.930 1.00 0.00 C ATOM 1180 C ASP A 185 94.822 8.667 -2.852 1.00 0.00 C ATOM 1181 O ASP A 185 94.499 9.748 -2.362 1.00 0.00 O ATOM 1182 CB ASP A 185 95.713 9.705 -4.947 1.00 0.00 C ATOM 1183 CG ASP A 185 95.654 11.070 -4.291 1.00 0.00 C ATOM 1184 OD1 ASP A 185 96.622 11.436 -3.592 1.00 0.00 O ATOM 1185 OD2 ASP A 185 94.640 11.776 -4.477 1.00 0.00 O ATOM 0 H ASP A 185 95.195 7.241 -5.398 1.00 0.00 H new ATOM 0 HA ASP A 185 96.871 8.678 -3.468 1.00 0.00 H new ATOM 0 HB2 ASP A 185 96.539 9.682 -5.658 1.00 0.00 H new ATOM 0 HB3 ASP A 185 94.798 9.539 -5.516 1.00 0.00 H new ATOM 1190 N SER A 186 94.287 7.512 -2.483 1.00 0.00 N ATOM 1191 CA SER A 186 93.266 7.428 -1.459 1.00 0.00 C ATOM 1192 C SER A 186 93.894 7.581 -0.080 1.00 0.00 C ATOM 1193 O SER A 186 95.086 7.340 0.096 1.00 0.00 O ATOM 1194 CB SER A 186 92.531 6.092 -1.570 1.00 0.00 C ATOM 1195 OG SER A 186 91.721 6.054 -2.731 1.00 0.00 O ATOM 0 H SER A 186 94.550 6.612 -2.886 1.00 0.00 H new ATOM 0 HA SER A 186 92.548 8.235 -1.601 1.00 0.00 H new ATOM 0 HB2 SER A 186 93.254 5.277 -1.599 1.00 0.00 H new ATOM 0 HB3 SER A 186 91.913 5.938 -0.686 1.00 0.00 H new ATOM 0 HG SER A 186 92.204 5.600 -3.452 1.00 0.00 H new ATOM 1201 N GLU A 187 93.093 7.992 0.888 1.00 0.00 N ATOM 1202 CA GLU A 187 93.586 8.185 2.247 1.00 0.00 C ATOM 1203 C GLU A 187 94.368 6.962 2.718 1.00 0.00 C ATOM 1204 O GLU A 187 95.528 7.065 3.111 1.00 0.00 O ATOM 1205 CB GLU A 187 92.422 8.459 3.200 1.00 0.00 C ATOM 1206 CG GLU A 187 91.620 9.699 2.840 1.00 0.00 C ATOM 1207 CD GLU A 187 90.475 9.952 3.800 1.00 0.00 C ATOM 1208 OE1 GLU A 187 90.740 10.131 5.007 1.00 0.00 O ATOM 1209 OE2 GLU A 187 89.312 9.970 3.344 1.00 0.00 O ATOM 0 H GLU A 187 92.102 8.199 0.762 1.00 0.00 H new ATOM 0 HA GLU A 187 94.255 9.045 2.247 1.00 0.00 H new ATOM 0 HB2 GLU A 187 91.757 7.595 3.206 1.00 0.00 H new ATOM 0 HB3 GLU A 187 92.810 8.569 4.212 1.00 0.00 H new ATOM 0 HG2 GLU A 187 92.281 10.565 2.833 1.00 0.00 H new ATOM 0 HG3 GLU A 187 91.225 9.591 1.830 1.00 0.00 H new ATOM 1216 N GLY A 188 93.721 5.807 2.675 1.00 0.00 N ATOM 1217 CA GLY A 188 94.365 4.580 3.102 1.00 0.00 C ATOM 1218 C GLY A 188 95.628 4.277 2.321 1.00 0.00 C ATOM 1219 O GLY A 188 96.623 3.832 2.892 1.00 0.00 O ATOM 0 H GLY A 188 92.760 5.696 2.352 1.00 0.00 H new ATOM 0 HA2 GLY A 188 94.607 4.652 4.162 1.00 0.00 H new ATOM 0 HA3 GLY A 188 93.667 3.751 2.991 1.00 0.00 H new ATOM 1223 N ALA A 189 95.585 4.497 1.011 1.00 0.00 N ATOM 1224 CA ALA A 189 96.731 4.222 0.151 1.00 0.00 C ATOM 1225 C ALA A 189 97.864 5.225 0.361 1.00 0.00 C ATOM 1226 O ALA A 189 99.010 4.832 0.580 1.00 0.00 O ATOM 1227 CB ALA A 189 96.297 4.199 -1.304 1.00 0.00 C ATOM 0 H ALA A 189 94.769 4.865 0.522 1.00 0.00 H new ATOM 0 HA ALA A 189 97.121 3.241 0.424 1.00 0.00 H new ATOM 0 HB1 ALA A 189 97.160 3.993 -1.938 1.00 0.00 H new ATOM 0 HB2 ALA A 189 95.547 3.421 -1.448 1.00 0.00 H new ATOM 0 HB3 ALA A 189 95.872 5.166 -1.572 1.00 0.00 H new ATOM 1233 N MET A 190 97.551 6.519 0.295 1.00 0.00 N ATOM 1234 CA MET A 190 98.576 7.541 0.484 1.00 0.00 C ATOM 1235 C MET A 190 99.162 7.416 1.887 1.00 0.00 C ATOM 1236 O MET A 190 100.379 7.451 2.065 1.00 0.00 O ATOM 1237 CB MET A 190 98.016 8.952 0.235 1.00 0.00 C ATOM 1238 CG MET A 190 97.599 9.691 1.494 1.00 0.00 C ATOM 1239 SD MET A 190 96.903 11.319 1.151 1.00 0.00 S ATOM 1240 CE MET A 190 95.543 10.894 0.067 1.00 0.00 C ATOM 0 H MET A 190 96.613 6.878 0.115 1.00 0.00 H new ATOM 0 HA MET A 190 99.369 7.384 -0.247 1.00 0.00 H new ATOM 0 HB2 MET A 190 98.770 9.542 -0.286 1.00 0.00 H new ATOM 0 HB3 MET A 190 97.155 8.876 -0.430 1.00 0.00 H new ATOM 0 HG2 MET A 190 96.865 9.093 2.034 1.00 0.00 H new ATOM 0 HG3 MET A 190 98.464 9.801 2.148 1.00 0.00 H new ATOM 0 HE1 MET A 190 94.666 11.484 0.335 1.00 0.00 H new ATOM 0 HE2 MET A 190 95.821 11.106 -0.966 1.00 0.00 H new ATOM 0 HE3 MET A 190 95.313 9.834 0.171 1.00 0.00 H new ATOM 1250 N ASP A 191 98.294 7.235 2.883 1.00 0.00 N ATOM 1251 CA ASP A 191 98.755 7.066 4.255 1.00 0.00 C ATOM 1252 C ASP A 191 99.707 5.880 4.309 1.00 0.00 C ATOM 1253 O ASP A 191 100.726 5.912 4.993 1.00 0.00 O ATOM 1254 CB ASP A 191 97.577 6.855 5.208 1.00 0.00 C ATOM 1255 CG ASP A 191 96.787 8.130 5.441 1.00 0.00 C ATOM 1256 OD1 ASP A 191 96.316 8.729 4.452 1.00 0.00 O ATOM 1257 OD2 ASP A 191 96.640 8.529 6.615 1.00 0.00 O ATOM 0 H ASP A 191 97.281 7.202 2.765 1.00 0.00 H new ATOM 0 HA ASP A 191 99.275 7.969 4.574 1.00 0.00 H new ATOM 0 HB2 ASP A 191 96.916 6.090 4.801 1.00 0.00 H new ATOM 0 HB3 ASP A 191 97.947 6.481 6.162 1.00 0.00 H new ATOM 1262 N ALA A 192 99.385 4.856 3.529 1.00 0.00 N ATOM 1263 CA ALA A 192 100.230 3.675 3.432 1.00 0.00 C ATOM 1264 C ALA A 192 101.641 4.108 3.079 1.00 0.00 C ATOM 1265 O ALA A 192 102.607 3.665 3.692 1.00 0.00 O ATOM 1266 CB ALA A 192 99.676 2.717 2.379 1.00 0.00 C ATOM 0 H ALA A 192 98.543 4.821 2.954 1.00 0.00 H new ATOM 0 HA ALA A 192 100.245 3.150 4.387 1.00 0.00 H new ATOM 0 HB1 ALA A 192 100.316 1.837 2.315 1.00 0.00 H new ATOM 0 HB2 ALA A 192 98.667 2.413 2.659 1.00 0.00 H new ATOM 0 HB3 ALA A 192 99.649 3.217 1.411 1.00 0.00 H new ATOM 1272 N ALA A 193 101.760 4.990 2.099 1.00 0.00 N ATOM 1273 CA ALA A 193 103.069 5.474 1.710 1.00 0.00 C ATOM 1274 C ALA A 193 103.755 6.085 2.925 1.00 0.00 C ATOM 1275 O ALA A 193 104.951 5.891 3.132 1.00 0.00 O ATOM 1276 CB ALA A 193 102.964 6.478 0.570 1.00 0.00 C ATOM 0 H ALA A 193 100.980 5.378 1.569 1.00 0.00 H new ATOM 0 HA ALA A 193 103.669 4.640 1.345 1.00 0.00 H new ATOM 0 HB1 ALA A 193 103.961 6.825 0.298 1.00 0.00 H new ATOM 0 HB2 ALA A 193 102.498 6.002 -0.292 1.00 0.00 H new ATOM 0 HB3 ALA A 193 102.358 7.327 0.887 1.00 0.00 H new ATOM 1282 N GLU A 194 102.989 6.787 3.755 1.00 0.00 N ATOM 1283 CA GLU A 194 103.551 7.372 4.961 1.00 0.00 C ATOM 1284 C GLU A 194 104.171 6.255 5.790 1.00 0.00 C ATOM 1285 O GLU A 194 105.166 6.455 6.487 1.00 0.00 O ATOM 1286 CB GLU A 194 102.472 8.118 5.766 1.00 0.00 C ATOM 1287 CG GLU A 194 102.043 7.414 7.048 1.00 0.00 C ATOM 1288 CD GLU A 194 100.897 8.122 7.744 1.00 0.00 C ATOM 1289 OE1 GLU A 194 99.820 8.257 7.126 1.00 0.00 O ATOM 1290 OE2 GLU A 194 101.077 8.540 8.907 1.00 0.00 O ATOM 0 H GLU A 194 101.994 6.961 3.616 1.00 0.00 H new ATOM 0 HA GLU A 194 104.315 8.103 4.694 1.00 0.00 H new ATOM 0 HB2 GLU A 194 102.846 9.110 6.019 1.00 0.00 H new ATOM 0 HB3 GLU A 194 101.596 8.259 5.133 1.00 0.00 H new ATOM 0 HG2 GLU A 194 101.746 6.391 6.815 1.00 0.00 H new ATOM 0 HG3 GLU A 194 102.894 7.352 7.727 1.00 0.00 H new ATOM 1297 N ASP A 195 103.579 5.062 5.682 1.00 0.00 N ATOM 1298 CA ASP A 195 104.081 3.897 6.393 1.00 0.00 C ATOM 1299 C ASP A 195 105.373 3.430 5.739 1.00 0.00 C ATOM 1300 O ASP A 195 106.365 3.164 6.412 1.00 0.00 O ATOM 1301 CB ASP A 195 103.053 2.761 6.401 1.00 0.00 C ATOM 1302 CG ASP A 195 101.722 3.186 6.990 1.00 0.00 C ATOM 1303 OD1 ASP A 195 101.100 4.119 6.441 1.00 0.00 O ATOM 1304 OD2 ASP A 195 101.301 2.586 8.001 1.00 0.00 O ATOM 0 H ASP A 195 102.754 4.884 5.109 1.00 0.00 H new ATOM 0 HA ASP A 195 104.270 4.177 7.429 1.00 0.00 H new ATOM 0 HB2 ASP A 195 102.899 2.408 5.381 1.00 0.00 H new ATOM 0 HB3 ASP A 195 103.448 1.922 6.973 1.00 0.00 H new ATOM 1309 N HIS A 196 105.358 3.353 4.414 1.00 0.00 N ATOM 1310 CA HIS A 196 106.523 2.946 3.660 1.00 0.00 C ATOM 1311 C HIS A 196 107.672 3.899 3.953 1.00 0.00 C ATOM 1312 O HIS A 196 108.842 3.528 3.914 1.00 0.00 O ATOM 1313 CB HIS A 196 106.211 2.987 2.162 1.00 0.00 C ATOM 1314 CG HIS A 196 107.277 2.366 1.324 1.00 0.00 C ATOM 1315 ND1 HIS A 196 107.418 2.654 -0.012 1.00 0.00 N ATOM 1316 CD2 HIS A 196 108.202 1.458 1.685 1.00 0.00 C ATOM 1317 CE1 HIS A 196 108.428 1.909 -0.433 1.00 0.00 C ATOM 1318 NE2 HIS A 196 108.936 1.167 0.563 1.00 0.00 N ATOM 0 H HIS A 196 104.542 3.570 3.842 1.00 0.00 H new ATOM 0 HA HIS A 196 106.799 1.931 3.947 1.00 0.00 H new ATOM 0 HB2 HIS A 196 105.268 2.472 1.979 1.00 0.00 H new ATOM 0 HB3 HIS A 196 106.073 4.023 1.854 1.00 0.00 H new ATOM 0 HD2 HIS A 196 108.340 1.038 2.670 1.00 0.00 H new ATOM 0 HE1 HIS A 196 108.796 1.900 -1.448 1.00 0.00 H new ATOM 0 HE2 HIS A 196 109.716 0.513 0.498 1.00 0.00 H new ATOM 1326 N ARG A 197 107.293 5.147 4.210 1.00 0.00 N ATOM 1327 CA ARG A 197 108.227 6.233 4.478 1.00 0.00 C ATOM 1328 C ARG A 197 108.959 6.068 5.809 1.00 0.00 C ATOM 1329 O ARG A 197 110.177 5.891 5.838 1.00 0.00 O ATOM 1330 CB ARG A 197 107.449 7.550 4.476 1.00 0.00 C ATOM 1331 CG ARG A 197 108.311 8.797 4.363 1.00 0.00 C ATOM 1332 CD ARG A 197 109.177 9.013 5.592 1.00 0.00 C ATOM 1333 NE ARG A 197 108.424 8.887 6.838 1.00 0.00 N ATOM 1334 CZ ARG A 197 108.839 9.393 7.995 1.00 0.00 C ATOM 1335 NH1 ARG A 197 110.001 10.027 8.063 1.00 0.00 N ATOM 1336 NH2 ARG A 197 108.096 9.267 9.086 1.00 0.00 N ATOM 0 H ARG A 197 106.315 5.435 4.238 1.00 0.00 H new ATOM 0 HA ARG A 197 108.989 6.224 3.699 1.00 0.00 H new ATOM 0 HB2 ARG A 197 106.742 7.537 3.647 1.00 0.00 H new ATOM 0 HB3 ARG A 197 106.863 7.612 5.393 1.00 0.00 H new ATOM 0 HG2 ARG A 197 108.948 8.717 3.482 1.00 0.00 H new ATOM 0 HG3 ARG A 197 107.670 9.666 4.215 1.00 0.00 H new ATOM 0 HD2 ARG A 197 109.992 8.289 5.589 1.00 0.00 H new ATOM 0 HD3 ARG A 197 109.630 10.003 5.544 1.00 0.00 H new ATOM 0 HE ARG A 197 107.536 8.386 6.819 1.00 0.00 H new ATOM 0 HH11 ARG A 197 110.577 10.127 7.227 1.00 0.00 H new ATOM 0 HH12 ARG A 197 110.319 10.415 8.951 1.00 0.00 H new ATOM 0 HH21 ARG A 197 107.201 8.780 9.040 1.00 0.00 H new ATOM 0 HH22 ARG A 197 108.419 9.657 9.971 1.00 0.00 H new ATOM 1350 N GLN A 198 108.224 6.164 6.909 1.00 0.00 N ATOM 1351 CA GLN A 198 108.826 6.058 8.233 1.00 0.00 C ATOM 1352 C GLN A 198 109.639 4.775 8.379 1.00 0.00 C ATOM 1353 O GLN A 198 110.616 4.738 9.123 1.00 0.00 O ATOM 1354 CB GLN A 198 107.759 6.152 9.332 1.00 0.00 C ATOM 1355 CG GLN A 198 106.705 5.064 9.268 1.00 0.00 C ATOM 1356 CD GLN A 198 107.262 3.693 9.579 1.00 0.00 C ATOM 1357 OE1 GLN A 198 107.302 2.842 8.569 1.00 0.00 O flip ATOM 1358 NE2 GLN A 198 107.665 3.410 10.707 1.00 0.00 N flip ATOM 0 H GLN A 198 107.215 6.314 6.912 1.00 0.00 H new ATOM 0 HA GLN A 198 109.510 6.899 8.347 1.00 0.00 H new ATOM 0 HB2 GLN A 198 108.250 6.110 10.304 1.00 0.00 H new ATOM 0 HB3 GLN A 198 107.268 7.123 9.264 1.00 0.00 H new ATOM 0 HG2 GLN A 198 105.906 5.296 9.973 1.00 0.00 H new ATOM 0 HG3 GLN A 198 106.259 5.054 8.273 1.00 0.00 H new ATOM 0 HE21 GLN A 198 107.613 4.101 11.455 1.00 0.00 H new ATOM 0 HE22 GLN A 198 108.051 2.484 10.893 1.00 0.00 H new ATOM 1367 N GLY A 199 109.230 3.722 7.678 1.00 0.00 N ATOM 1368 CA GLY A 199 109.934 2.454 7.764 1.00 0.00 C ATOM 1369 C GLY A 199 111.327 2.495 7.161 1.00 0.00 C ATOM 1370 O GLY A 199 112.278 1.999 7.763 1.00 0.00 O ATOM 0 H GLY A 199 108.424 3.723 7.052 1.00 0.00 H new ATOM 0 HA2 GLY A 199 110.008 2.158 8.811 1.00 0.00 H new ATOM 0 HA3 GLY A 199 109.349 1.687 7.256 1.00 0.00 H new ATOM 1374 N ILE A 200 111.452 3.086 5.975 1.00 0.00 N ATOM 1375 CA ILE A 200 112.747 3.182 5.303 1.00 0.00 C ATOM 1376 C ILE A 200 113.611 4.277 5.929 1.00 0.00 C ATOM 1377 O ILE A 200 114.829 4.295 5.766 1.00 0.00 O ATOM 1378 CB ILE A 200 112.597 3.395 3.770 1.00 0.00 C ATOM 1379 CG1 ILE A 200 113.950 3.687 3.103 1.00 0.00 C ATOM 1380 CG2 ILE A 200 111.577 4.475 3.438 1.00 0.00 C ATOM 1381 CD1 ILE A 200 114.471 5.099 3.299 1.00 0.00 C ATOM 0 H ILE A 200 110.677 3.504 5.461 1.00 0.00 H new ATOM 0 HA ILE A 200 113.253 2.227 5.445 1.00 0.00 H new ATOM 0 HB ILE A 200 112.220 2.458 3.360 1.00 0.00 H new ATOM 0 HG12 ILE A 200 114.689 2.986 3.492 1.00 0.00 H new ATOM 0 HG13 ILE A 200 113.860 3.494 2.034 1.00 0.00 H new ATOM 0 HG21 ILE A 200 111.506 4.589 2.356 1.00 0.00 H new ATOM 0 HG22 ILE A 200 110.603 4.191 3.837 1.00 0.00 H new ATOM 0 HG23 ILE A 200 111.890 5.420 3.882 1.00 0.00 H new ATOM 0 HD11 ILE A 200 115.430 5.207 2.792 1.00 0.00 H new ATOM 0 HD12 ILE A 200 113.758 5.811 2.883 1.00 0.00 H new ATOM 0 HD13 ILE A 200 114.600 5.295 4.364 1.00 0.00 H new ATOM 1393 N ALA A 201 112.959 5.190 6.643 1.00 0.00 N ATOM 1394 CA ALA A 201 113.638 6.307 7.298 1.00 0.00 C ATOM 1395 C ALA A 201 114.487 5.884 8.502 1.00 0.00 C ATOM 1396 O ALA A 201 115.693 6.128 8.543 1.00 0.00 O ATOM 1397 CB ALA A 201 112.595 7.315 7.757 1.00 0.00 C ATOM 0 H ALA A 201 111.949 5.178 6.784 1.00 0.00 H new ATOM 0 HA ALA A 201 114.320 6.739 6.566 1.00 0.00 H new ATOM 0 HB1 ALA A 201 113.090 8.153 8.247 1.00 0.00 H new ATOM 0 HB2 ALA A 201 112.036 7.678 6.895 1.00 0.00 H new ATOM 0 HB3 ALA A 201 111.911 6.837 8.458 1.00 0.00 H new ATOM 1403 N ARG A 202 113.830 5.296 9.498 1.00 0.00 N ATOM 1404 CA ARG A 202 114.479 4.879 10.740 1.00 0.00 C ATOM 1405 C ARG A 202 115.244 3.571 10.602 1.00 0.00 C ATOM 1406 O ARG A 202 115.986 3.186 11.507 1.00 0.00 O ATOM 1407 CB ARG A 202 113.417 4.721 11.828 1.00 0.00 C ATOM 1408 CG ARG A 202 112.459 3.563 11.586 1.00 0.00 C ATOM 1409 CD ARG A 202 111.461 3.389 12.726 1.00 0.00 C ATOM 1410 NE ARG A 202 110.613 4.565 12.918 1.00 0.00 N ATOM 1411 CZ ARG A 202 110.996 5.659 13.570 1.00 0.00 C ATOM 1412 NH1 ARG A 202 112.192 5.710 14.142 1.00 0.00 N ATOM 1413 NH2 ARG A 202 110.177 6.697 13.665 1.00 0.00 N ATOM 0 H ARG A 202 112.831 5.094 9.468 1.00 0.00 H new ATOM 0 HA ARG A 202 115.203 5.651 11.000 1.00 0.00 H new ATOM 0 HB2 ARG A 202 113.912 4.576 12.788 1.00 0.00 H new ATOM 0 HB3 ARG A 202 112.844 5.645 11.901 1.00 0.00 H new ATOM 0 HG2 ARG A 202 111.918 3.731 10.655 1.00 0.00 H new ATOM 0 HG3 ARG A 202 113.029 2.642 11.462 1.00 0.00 H new ATOM 0 HD2 ARG A 202 110.832 2.522 12.524 1.00 0.00 H new ATOM 0 HD3 ARG A 202 112.002 3.182 13.649 1.00 0.00 H new ATOM 0 HE ARG A 202 109.671 4.545 12.528 1.00 0.00 H new ATOM 0 HH11 ARG A 202 112.820 4.909 14.082 1.00 0.00 H new ATOM 0 HH12 ARG A 202 112.483 6.550 14.641 1.00 0.00 H new ATOM 0 HH21 ARG A 202 109.252 6.657 13.238 1.00 0.00 H new ATOM 0 HH22 ARG A 202 110.472 7.535 14.165 1.00 0.00 H new ATOM 1427 N ASN A 203 115.045 2.869 9.500 1.00 0.00 N ATOM 1428 CA ASN A 203 115.706 1.586 9.299 1.00 0.00 C ATOM 1429 C ASN A 203 116.985 1.714 8.483 1.00 0.00 C ATOM 1430 O ASN A 203 117.708 0.735 8.304 1.00 0.00 O ATOM 1431 CB ASN A 203 114.751 0.620 8.606 1.00 0.00 C ATOM 1432 CG ASN A 203 114.549 0.960 7.146 1.00 0.00 C ATOM 1433 OD1 ASN A 203 115.092 2.096 6.722 1.00 0.00 O flip ATOM 1434 ND2 ASN A 203 113.902 0.216 6.408 1.00 0.00 N flip ATOM 0 H ASN A 203 114.437 3.160 8.735 1.00 0.00 H new ATOM 0 HA ASN A 203 115.982 1.204 10.282 1.00 0.00 H new ATOM 0 HB2 ASN A 203 115.140 -0.395 8.690 1.00 0.00 H new ATOM 0 HB3 ASN A 203 113.788 0.635 9.117 1.00 0.00 H new ATOM 0 HD21 ASN A 203 113.503 -0.647 6.777 1.00 0.00 H new ATOM 0 HD22 ASN A 203 113.765 0.463 5.428 1.00 0.00 H new ATOM 1441 N HIS A 204 117.264 2.910 7.978 1.00 0.00 N ATOM 1442 CA HIS A 204 118.462 3.113 7.175 1.00 0.00 C ATOM 1443 C HIS A 204 119.046 4.513 7.335 1.00 0.00 C ATOM 1444 O HIS A 204 120.260 4.659 7.452 1.00 0.00 O ATOM 1445 CB HIS A 204 118.170 2.828 5.700 1.00 0.00 C ATOM 1446 CG HIS A 204 117.932 1.379 5.408 1.00 0.00 C ATOM 1447 ND1 HIS A 204 116.920 0.678 6.015 1.00 0.00 N ATOM 1448 CD2 HIS A 204 118.604 0.549 4.572 1.00 0.00 C ATOM 1449 CE1 HIS A 204 116.995 -0.553 5.541 1.00 0.00 C ATOM 1450 NE2 HIS A 204 118.000 -0.680 4.662 1.00 0.00 N ATOM 0 H HIS A 204 116.687 3.741 8.108 1.00 0.00 H new ATOM 0 HA HIS A 204 119.211 2.410 7.540 1.00 0.00 H new ATOM 0 HB2 HIS A 204 117.295 3.401 5.394 1.00 0.00 H new ATOM 0 HB3 HIS A 204 119.008 3.179 5.097 1.00 0.00 H new ATOM 0 HD2 HIS A 204 119.452 0.806 3.954 1.00 0.00 H new ATOM 0 HE1 HIS A 204 116.331 -1.356 5.825 1.00 0.00 H new ATOM 0 HE2 HIS A 204 118.264 -1.526 4.158 1.00 0.00 H new ATOM 1458 N TYR A 205 118.207 5.549 7.331 1.00 0.00 N ATOM 1459 CA TYR A 205 118.668 6.915 7.460 1.00 0.00 C ATOM 1460 C TYR A 205 117.439 7.799 7.518 1.00 0.00 C ATOM 1461 O TYR A 205 116.559 7.677 6.669 1.00 0.00 O ATOM 1462 CB TYR A 205 119.504 7.320 6.246 1.00 0.00 C ATOM 1463 CG TYR A 205 118.727 7.189 4.951 1.00 0.00 C ATOM 1464 CD1 TYR A 205 117.891 8.211 4.516 1.00 0.00 C ATOM 1465 CD2 TYR A 205 118.803 6.038 4.179 1.00 0.00 C ATOM 1466 CE1 TYR A 205 117.162 8.091 3.347 1.00 0.00 C ATOM 1467 CE2 TYR A 205 118.079 5.910 3.008 1.00 0.00 C ATOM 1468 CZ TYR A 205 117.262 6.940 2.596 1.00 0.00 C ATOM 1469 OH TYR A 205 116.539 6.817 1.433 1.00 0.00 O ATOM 0 H TYR A 205 117.195 5.457 7.238 1.00 0.00 H new ATOM 0 HA TYR A 205 119.284 7.016 8.353 1.00 0.00 H new ATOM 0 HB2 TYR A 205 119.840 8.350 6.365 1.00 0.00 H new ATOM 0 HB3 TYR A 205 120.397 6.697 6.197 1.00 0.00 H new ATOM 0 HD1 TYR A 205 117.809 9.115 5.101 1.00 0.00 H new ATOM 0 HD2 TYR A 205 119.440 5.227 4.499 1.00 0.00 H new ATOM 0 HE1 TYR A 205 116.518 8.895 3.024 1.00 0.00 H new ATOM 0 HE2 TYR A 205 118.154 5.007 2.419 1.00 0.00 H new ATOM 0 HH TYR A 205 116.724 5.946 1.024 1.00 0.00 H new ATOM 1479 N ASP A 206 117.360 8.674 8.497 1.00 0.00 N ATOM 1480 CA ASP A 206 116.204 9.550 8.609 1.00 0.00 C ATOM 1481 C ASP A 206 115.807 10.081 7.231 1.00 0.00 C ATOM 1482 O ASP A 206 116.253 11.148 6.807 1.00 0.00 O ATOM 1483 CB ASP A 206 116.525 10.687 9.559 1.00 0.00 C ATOM 1484 CG ASP A 206 115.371 11.657 9.725 1.00 0.00 C ATOM 1485 OD1 ASP A 206 114.949 12.255 8.713 1.00 0.00 O ATOM 1486 OD2 ASP A 206 114.890 11.819 10.866 1.00 0.00 O ATOM 0 H ASP A 206 118.069 8.801 9.219 1.00 0.00 H new ATOM 0 HA ASP A 206 115.358 8.989 9.007 1.00 0.00 H new ATOM 0 HB2 ASP A 206 116.792 10.276 10.533 1.00 0.00 H new ATOM 0 HB3 ASP A 206 117.397 11.227 9.191 1.00 0.00 H new ATOM 1491 N CYS A 207 114.988 9.300 6.527 1.00 0.00 N ATOM 1492 CA CYS A 207 114.544 9.648 5.180 1.00 0.00 C ATOM 1493 C CYS A 207 113.453 10.711 5.194 1.00 0.00 C ATOM 1494 O CYS A 207 112.597 10.735 6.080 1.00 0.00 O ATOM 1495 CB CYS A 207 114.039 8.396 4.449 1.00 0.00 C ATOM 1496 SG CYS A 207 113.527 8.695 2.741 1.00 0.00 S ATOM 0 H CYS A 207 114.617 8.415 6.872 1.00 0.00 H new ATOM 0 HA CYS A 207 115.403 10.061 4.652 1.00 0.00 H new ATOM 0 HB2 CYS A 207 114.827 7.643 4.454 1.00 0.00 H new ATOM 0 HB3 CYS A 207 113.197 7.980 5.002 1.00 0.00 H new ATOM 0 HG CYS A 207 112.701 9.698 2.705 1.00 0.00 H new ATOM 1502 N GLY A 208 113.488 11.580 4.187 1.00 0.00 N ATOM 1503 CA GLY A 208 112.499 12.637 4.064 1.00 0.00 C ATOM 1504 C GLY A 208 111.519 12.359 2.942 1.00 0.00 C ATOM 1505 O GLY A 208 111.664 11.373 2.218 1.00 0.00 O ATOM 0 H GLY A 208 114.191 11.570 3.448 1.00 0.00 H new ATOM 0 HA2 GLY A 208 111.957 12.739 5.004 1.00 0.00 H new ATOM 0 HA3 GLY A 208 113.002 13.587 3.881 1.00 0.00 H new ATOM 1509 N TYR A 209 110.516 13.215 2.796 1.00 0.00 N ATOM 1510 CA TYR A 209 109.515 13.036 1.751 1.00 0.00 C ATOM 1511 C TYR A 209 110.126 13.186 0.360 1.00 0.00 C ATOM 1512 O TYR A 209 109.814 12.418 -0.549 1.00 0.00 O ATOM 1513 CB TYR A 209 108.359 14.020 1.938 1.00 0.00 C ATOM 1514 CG TYR A 209 107.545 13.765 3.189 1.00 0.00 C ATOM 1515 CD1 TYR A 209 108.116 13.887 4.451 1.00 0.00 C ATOM 1516 CD2 TYR A 209 106.207 13.395 3.110 1.00 0.00 C ATOM 1517 CE1 TYR A 209 107.377 13.650 5.595 1.00 0.00 C ATOM 1518 CE2 TYR A 209 105.463 13.158 4.248 1.00 0.00 C ATOM 1519 CZ TYR A 209 106.051 13.287 5.488 1.00 0.00 C ATOM 1520 OH TYR A 209 105.313 13.050 6.625 1.00 0.00 O ATOM 0 H TYR A 209 110.374 14.036 3.384 1.00 0.00 H new ATOM 0 HA TYR A 209 109.126 12.021 1.836 1.00 0.00 H new ATOM 0 HB2 TYR A 209 108.758 15.034 1.974 1.00 0.00 H new ATOM 0 HB3 TYR A 209 107.702 13.966 1.070 1.00 0.00 H new ATOM 0 HD1 TYR A 209 109.154 14.172 4.539 1.00 0.00 H new ATOM 0 HD2 TYR A 209 105.742 13.291 2.141 1.00 0.00 H new ATOM 0 HE1 TYR A 209 107.836 13.749 6.568 1.00 0.00 H new ATOM 0 HE2 TYR A 209 104.425 12.873 4.167 1.00 0.00 H new ATOM 0 HH TYR A 209 104.404 13.397 6.503 1.00 0.00 H new ATOM 1530 N GLU A 210 110.999 14.176 0.198 1.00 0.00 N ATOM 1531 CA GLU A 210 111.647 14.414 -1.088 1.00 0.00 C ATOM 1532 C GLU A 210 112.527 13.232 -1.491 1.00 0.00 C ATOM 1533 O GLU A 210 112.580 12.854 -2.664 1.00 0.00 O ATOM 1534 CB GLU A 210 112.463 15.712 -1.048 1.00 0.00 C ATOM 1535 CG GLU A 210 113.323 15.869 0.197 1.00 0.00 C ATOM 1536 CD GLU A 210 114.371 14.784 0.335 1.00 0.00 C ATOM 1537 OE1 GLU A 210 115.201 14.638 -0.586 1.00 0.00 O ATOM 1538 OE2 GLU A 210 114.363 14.083 1.368 1.00 0.00 O ATOM 0 H GLU A 210 111.273 14.823 0.937 1.00 0.00 H new ATOM 0 HA GLU A 210 110.868 14.520 -1.843 1.00 0.00 H new ATOM 0 HB2 GLU A 210 113.106 15.751 -1.927 1.00 0.00 H new ATOM 0 HB3 GLU A 210 111.781 16.559 -1.114 1.00 0.00 H new ATOM 0 HG2 GLU A 210 113.816 16.841 0.171 1.00 0.00 H new ATOM 0 HG3 GLU A 210 112.681 15.861 1.078 1.00 0.00 H new ATOM 1545 N MET A 211 113.189 12.628 -0.510 1.00 0.00 N ATOM 1546 CA MET A 211 114.032 11.467 -0.772 1.00 0.00 C ATOM 1547 C MET A 211 113.149 10.271 -1.078 1.00 0.00 C ATOM 1548 O MET A 211 113.441 9.463 -1.959 1.00 0.00 O ATOM 1549 CB MET A 211 114.922 11.154 0.431 1.00 0.00 C ATOM 1550 CG MET A 211 116.084 10.220 0.107 1.00 0.00 C ATOM 1551 SD MET A 211 117.176 10.890 -1.163 1.00 0.00 S ATOM 1552 CE MET A 211 117.721 12.404 -0.377 1.00 0.00 C ATOM 0 H MET A 211 113.159 12.920 0.467 1.00 0.00 H new ATOM 0 HA MET A 211 114.675 11.686 -1.624 1.00 0.00 H new ATOM 0 HB2 MET A 211 115.318 12.087 0.831 1.00 0.00 H new ATOM 0 HB3 MET A 211 114.313 10.704 1.215 1.00 0.00 H new ATOM 0 HG2 MET A 211 116.659 10.033 1.014 1.00 0.00 H new ATOM 0 HG3 MET A 211 115.692 9.259 -0.226 1.00 0.00 H new ATOM 0 HE1 MET A 211 118.798 12.513 -0.505 1.00 0.00 H new ATOM 0 HE2 MET A 211 117.214 13.254 -0.833 1.00 0.00 H new ATOM 0 HE3 MET A 211 117.483 12.368 0.686 1.00 0.00 H new ATOM 1562 N HIS A 212 112.059 10.179 -0.326 1.00 0.00 N ATOM 1563 CA HIS A 212 111.100 9.094 -0.484 1.00 0.00 C ATOM 1564 C HIS A 212 110.625 8.993 -1.931 1.00 0.00 C ATOM 1565 O HIS A 212 110.348 7.903 -2.429 1.00 0.00 O ATOM 1566 CB HIS A 212 109.901 9.296 0.447 1.00 0.00 C ATOM 1567 CG HIS A 212 109.032 8.081 0.573 1.00 0.00 C ATOM 1568 ND1 HIS A 212 107.839 8.118 1.254 1.00 0.00 N ATOM 1569 CD2 HIS A 212 109.232 6.825 0.103 1.00 0.00 C ATOM 1570 CE1 HIS A 212 107.343 6.895 1.181 1.00 0.00 C ATOM 1571 NE2 HIS A 212 108.152 6.077 0.493 1.00 0.00 N ATOM 0 H HIS A 212 111.817 10.848 0.404 1.00 0.00 H new ATOM 0 HA HIS A 212 111.601 8.163 -0.218 1.00 0.00 H new ATOM 0 HB2 HIS A 212 110.262 9.579 1.436 1.00 0.00 H new ATOM 0 HB3 HIS A 212 109.300 10.127 0.077 1.00 0.00 H new ATOM 0 HD1 HIS A 212 107.422 8.924 1.720 1.00 0.00 H new ATOM 0 HD2 HIS A 212 110.080 6.480 -0.469 1.00 0.00 H new ATOM 0 HE1 HIS A 212 106.404 6.593 1.620 1.00 0.00 H new ATOM 1579 N THR A 213 110.495 10.134 -2.592 1.00 0.00 N ATOM 1580 CA THR A 213 110.023 10.181 -3.970 1.00 0.00 C ATOM 1581 C THR A 213 111.052 9.626 -4.948 1.00 0.00 C ATOM 1582 O THR A 213 110.735 8.789 -5.792 1.00 0.00 O ATOM 1583 CB THR A 213 109.712 11.629 -4.323 1.00 0.00 C ATOM 1584 OG1 THR A 213 110.904 12.388 -4.423 1.00 0.00 O ATOM 1585 CG2 THR A 213 108.832 12.290 -3.283 1.00 0.00 C ATOM 0 H THR A 213 110.712 11.047 -2.193 1.00 0.00 H new ATOM 0 HA THR A 213 109.132 9.559 -4.051 1.00 0.00 H new ATOM 0 HB THR A 213 109.188 11.605 -5.279 1.00 0.00 H new ATOM 0 HG1 THR A 213 111.235 12.597 -3.525 1.00 0.00 H new ATOM 0 HG21 THR A 213 108.635 13.322 -3.575 1.00 0.00 H new ATOM 0 HG22 THR A 213 107.889 11.748 -3.207 1.00 0.00 H new ATOM 0 HG23 THR A 213 109.337 12.276 -2.317 1.00 0.00 H new ATOM 1593 N CYS A 214 112.286 10.115 -4.835 1.00 0.00 N ATOM 1594 CA CYS A 214 113.364 9.684 -5.720 1.00 0.00 C ATOM 1595 C CYS A 214 113.492 8.169 -5.713 1.00 0.00 C ATOM 1596 O CYS A 214 113.568 7.536 -6.766 1.00 0.00 O ATOM 1597 CB CYS A 214 114.687 10.326 -5.292 1.00 0.00 C ATOM 1598 SG CYS A 214 116.148 9.706 -6.193 1.00 0.00 S ATOM 0 H CYS A 214 112.563 10.809 -4.140 1.00 0.00 H new ATOM 0 HA CYS A 214 113.125 10.005 -6.734 1.00 0.00 H new ATOM 0 HB2 CYS A 214 114.617 11.404 -5.435 1.00 0.00 H new ATOM 0 HB3 CYS A 214 114.832 10.154 -4.225 1.00 0.00 H new ATOM 1603 N LEU A 215 113.496 7.593 -4.523 1.00 0.00 N ATOM 1604 CA LEU A 215 113.594 6.151 -4.377 1.00 0.00 C ATOM 1605 C LEU A 215 112.373 5.456 -4.976 1.00 0.00 C ATOM 1606 O LEU A 215 112.495 4.495 -5.721 1.00 0.00 O ATOM 1607 CB LEU A 215 113.752 5.778 -2.897 1.00 0.00 C ATOM 1608 CG LEU A 215 112.579 6.100 -1.963 1.00 0.00 C ATOM 1609 CD1 LEU A 215 111.444 5.085 -2.131 1.00 0.00 C ATOM 1610 CD2 LEU A 215 113.070 6.122 -0.517 1.00 0.00 C ATOM 0 H LEU A 215 113.432 8.103 -3.642 1.00 0.00 H new ATOM 0 HA LEU A 215 114.475 5.811 -4.921 1.00 0.00 H new ATOM 0 HB2 LEU A 215 113.947 4.707 -2.838 1.00 0.00 H new ATOM 0 HB3 LEU A 215 114.638 6.285 -2.514 1.00 0.00 H new ATOM 0 HG LEU A 215 112.184 7.082 -2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 215 110.626 5.339 -1.456 1.00 0.00 H new ATOM 0 HD12 LEU A 215 111.085 5.107 -3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 215 111.812 4.086 -1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 215 112.236 6.351 0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 215 113.483 5.147 -0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 215 113.842 6.884 -0.406 1.00 0.00 H new ATOM 1622 N GLY A 216 111.197 5.951 -4.637 1.00 0.00 N ATOM 1623 CA GLY A 216 109.960 5.365 -5.134 1.00 0.00 C ATOM 1624 C GLY A 216 109.952 5.099 -6.635 1.00 0.00 C ATOM 1625 O GLY A 216 109.455 4.064 -7.078 1.00 0.00 O ATOM 0 H GLY A 216 111.069 6.755 -4.022 1.00 0.00 H new ATOM 0 HA2 GLY A 216 109.779 4.427 -4.609 1.00 0.00 H new ATOM 0 HA3 GLY A 216 109.132 6.031 -4.890 1.00 0.00 H new ATOM 1629 N GLU A 217 110.473 6.037 -7.421 1.00 0.00 N ATOM 1630 CA GLU A 217 110.494 5.898 -8.881 1.00 0.00 C ATOM 1631 C GLU A 217 111.753 5.201 -9.403 1.00 0.00 C ATOM 1632 O GLU A 217 111.723 4.640 -10.498 1.00 0.00 O ATOM 1633 CB GLU A 217 110.309 7.257 -9.563 1.00 0.00 C ATOM 1634 CG GLU A 217 111.292 8.317 -9.100 1.00 0.00 C ATOM 1635 CD GLU A 217 111.152 9.618 -9.866 1.00 0.00 C ATOM 1636 OE1 GLU A 217 111.326 9.599 -11.103 1.00 0.00 O ATOM 1637 OE2 GLU A 217 110.867 10.653 -9.231 1.00 0.00 O ATOM 0 H GLU A 217 110.887 6.903 -7.075 1.00 0.00 H new ATOM 0 HA GLU A 217 109.653 5.254 -9.137 1.00 0.00 H new ATOM 0 HB2 GLU A 217 110.410 7.128 -10.641 1.00 0.00 H new ATOM 0 HB3 GLU A 217 109.295 7.610 -9.378 1.00 0.00 H new ATOM 0 HG2 GLU A 217 111.141 8.508 -8.037 1.00 0.00 H new ATOM 0 HG3 GLU A 217 112.308 7.940 -9.215 1.00 0.00 H new ATOM 1644 N MET A 218 112.843 5.193 -8.650 1.00 0.00 N ATOM 1645 CA MET A 218 114.041 4.501 -9.126 1.00 0.00 C ATOM 1646 C MET A 218 113.787 2.990 -9.096 1.00 0.00 C ATOM 1647 O MET A 218 114.562 2.199 -9.633 1.00 0.00 O ATOM 1648 CB MET A 218 115.277 4.866 -8.295 1.00 0.00 C ATOM 1649 CG MET A 218 115.391 4.121 -6.980 1.00 0.00 C ATOM 1650 SD MET A 218 116.760 4.711 -5.969 1.00 0.00 S ATOM 1651 CE MET A 218 118.136 4.476 -7.090 1.00 0.00 C ATOM 0 H MET A 218 112.928 5.640 -7.737 1.00 0.00 H new ATOM 0 HA MET A 218 114.247 4.818 -10.148 1.00 0.00 H new ATOM 0 HB2 MET A 218 116.170 4.669 -8.889 1.00 0.00 H new ATOM 0 HB3 MET A 218 115.259 5.937 -8.091 1.00 0.00 H new ATOM 0 HG2 MET A 218 114.460 4.228 -6.423 1.00 0.00 H new ATOM 0 HG3 MET A 218 115.523 3.057 -7.179 1.00 0.00 H new ATOM 0 HE1 MET A 218 119.073 4.627 -6.553 1.00 0.00 H new ATOM 0 HE2 MET A 218 118.108 3.464 -7.494 1.00 0.00 H new ATOM 0 HE3 MET A 218 118.067 5.194 -7.907 1.00 0.00 H new ATOM 1661 N TYR A 219 112.673 2.618 -8.463 1.00 0.00 N ATOM 1662 CA TYR A 219 112.246 1.221 -8.336 1.00 0.00 C ATOM 1663 C TYR A 219 111.764 0.658 -9.671 1.00 0.00 C ATOM 1664 O TYR A 219 112.090 -0.472 -10.035 1.00 0.00 O ATOM 1665 CB TYR A 219 111.113 1.154 -7.308 1.00 0.00 C ATOM 1666 CG TYR A 219 111.586 1.089 -5.875 1.00 0.00 C ATOM 1667 CD1 TYR A 219 112.575 1.940 -5.418 1.00 0.00 C ATOM 1668 CD2 TYR A 219 111.000 0.217 -4.969 1.00 0.00 C ATOM 1669 CE1 TYR A 219 112.985 1.921 -4.101 1.00 0.00 C ATOM 1670 CE2 TYR A 219 111.405 0.186 -3.647 1.00 0.00 C ATOM 1671 CZ TYR A 219 112.398 1.041 -3.219 1.00 0.00 C ATOM 1672 OH TYR A 219 112.801 1.023 -1.905 1.00 0.00 O ATOM 0 H TYR A 219 112.037 3.281 -8.021 1.00 0.00 H new ATOM 0 HA TYR A 219 113.096 0.620 -8.014 1.00 0.00 H new ATOM 0 HB2 TYR A 219 110.474 2.029 -7.429 1.00 0.00 H new ATOM 0 HB3 TYR A 219 110.498 0.279 -7.517 1.00 0.00 H new ATOM 0 HD1 TYR A 219 113.036 2.634 -6.106 1.00 0.00 H new ATOM 0 HD2 TYR A 219 110.216 -0.447 -5.301 1.00 0.00 H new ATOM 0 HE1 TYR A 219 113.761 2.592 -3.764 1.00 0.00 H new ATOM 0 HE2 TYR A 219 110.946 -0.504 -2.954 1.00 0.00 H new ATOM 0 HH TYR A 219 112.047 1.266 -1.328 1.00 0.00 H new ATOM 1682 N VAL A 220 110.986 1.456 -10.394 1.00 0.00 N ATOM 1683 CA VAL A 220 110.454 1.043 -11.686 1.00 0.00 C ATOM 1684 C VAL A 220 111.521 1.117 -12.770 1.00 0.00 C ATOM 1685 O VAL A 220 111.443 0.422 -13.784 1.00 0.00 O ATOM 1686 CB VAL A 220 109.251 1.916 -12.101 1.00 0.00 C ATOM 1687 CG1 VAL A 220 108.116 1.762 -11.101 1.00 0.00 C ATOM 1688 CG2 VAL A 220 109.653 3.380 -12.231 1.00 0.00 C ATOM 0 H VAL A 220 110.710 2.395 -10.106 1.00 0.00 H new ATOM 0 HA VAL A 220 110.124 0.010 -11.578 1.00 0.00 H new ATOM 0 HB VAL A 220 108.906 1.575 -13.077 1.00 0.00 H new ATOM 0 HG11 VAL A 220 107.275 2.384 -11.407 1.00 0.00 H new ATOM 0 HG12 VAL A 220 107.802 0.719 -11.065 1.00 0.00 H new ATOM 0 HG13 VAL A 220 108.457 2.073 -10.113 1.00 0.00 H new ATOM 0 HG21 VAL A 220 108.785 3.971 -12.524 1.00 0.00 H new ATOM 0 HG22 VAL A 220 110.030 3.740 -11.274 1.00 0.00 H new ATOM 0 HG23 VAL A 220 110.431 3.478 -12.988 1.00 0.00 H new ATOM 1698 N SER A 221 112.514 1.970 -12.549 1.00 0.00 N ATOM 1699 CA SER A 221 113.599 2.148 -13.505 1.00 0.00 C ATOM 1700 C SER A 221 114.411 0.868 -13.665 1.00 0.00 C ATOM 1701 O SER A 221 115.372 0.829 -14.434 1.00 0.00 O ATOM 1702 CB SER A 221 114.512 3.291 -13.061 1.00 0.00 C ATOM 1703 OG SER A 221 115.081 3.026 -11.790 1.00 0.00 O ATOM 0 H SER A 221 112.590 2.550 -11.714 1.00 0.00 H new ATOM 0 HA SER A 221 113.157 2.394 -14.471 1.00 0.00 H new ATOM 0 HB2 SER A 221 115.305 3.433 -13.795 1.00 0.00 H new ATOM 0 HB3 SER A 221 113.944 4.220 -13.022 1.00 0.00 H new ATOM 0 HG SER A 221 114.612 2.274 -11.372 1.00 0.00 H new ATOM 1709 N ASP A 222 114.027 -0.180 -12.939 1.00 0.00 N ATOM 1710 CA ASP A 222 114.737 -1.454 -13.019 1.00 0.00 C ATOM 1711 C ASP A 222 113.795 -2.637 -12.817 1.00 0.00 C ATOM 1712 O ASP A 222 113.110 -2.745 -11.800 1.00 0.00 O ATOM 1713 CB ASP A 222 115.869 -1.503 -11.990 1.00 0.00 C ATOM 1714 CG ASP A 222 116.899 -0.412 -12.206 1.00 0.00 C ATOM 1715 OD1 ASP A 222 116.526 0.778 -12.137 1.00 0.00 O ATOM 1716 OD2 ASP A 222 118.078 -0.748 -12.444 1.00 0.00 O ATOM 0 H ASP A 222 113.236 -0.173 -12.295 1.00 0.00 H new ATOM 0 HA ASP A 222 115.161 -1.529 -14.020 1.00 0.00 H new ATOM 0 HB2 ASP A 222 115.449 -1.409 -10.988 1.00 0.00 H new ATOM 0 HB3 ASP A 222 116.359 -2.475 -12.040 1.00 0.00 H new ATOM 1721 N GLU A 223 113.787 -3.527 -13.803 1.00 0.00 N ATOM 1722 CA GLU A 223 112.959 -4.729 -13.778 1.00 0.00 C ATOM 1723 C GLU A 223 113.458 -5.742 -12.753 1.00 0.00 C ATOM 1724 O GLU A 223 112.652 -6.446 -12.145 1.00 0.00 O ATOM 1725 CB GLU A 223 112.906 -5.358 -15.174 1.00 0.00 C ATOM 1726 CG GLU A 223 112.437 -6.803 -15.183 1.00 0.00 C ATOM 1727 CD GLU A 223 113.505 -7.772 -14.711 1.00 0.00 C ATOM 1728 OE1 GLU A 223 114.634 -7.320 -14.428 1.00 0.00 O ATOM 1729 OE2 GLU A 223 113.215 -8.984 -14.634 1.00 0.00 O ATOM 0 H GLU A 223 114.356 -3.436 -14.645 1.00 0.00 H new ATOM 0 HA GLU A 223 111.953 -4.435 -13.478 1.00 0.00 H new ATOM 0 HB2 GLU A 223 112.240 -4.767 -15.803 1.00 0.00 H new ATOM 0 HB3 GLU A 223 113.898 -5.306 -15.623 1.00 0.00 H new ATOM 0 HG2 GLU A 223 111.559 -6.899 -14.545 1.00 0.00 H new ATOM 0 HG3 GLU A 223 112.128 -7.074 -16.193 1.00 0.00 H new ATOM 1736 N ARG A 224 114.761 -5.823 -12.540 1.00 0.00 N ATOM 1737 CA ARG A 224 115.278 -6.768 -11.560 1.00 0.00 C ATOM 1738 C ARG A 224 114.609 -6.484 -10.213 1.00 0.00 C ATOM 1739 O ARG A 224 114.067 -7.379 -9.565 1.00 0.00 O ATOM 1740 CB ARG A 224 116.799 -6.649 -11.465 1.00 0.00 C ATOM 1741 CG ARG A 224 117.485 -7.830 -10.790 1.00 0.00 C ATOM 1742 CD ARG A 224 116.918 -8.106 -9.408 1.00 0.00 C ATOM 1743 NE ARG A 224 117.765 -9.019 -8.645 1.00 0.00 N ATOM 1744 CZ ARG A 224 117.478 -9.434 -7.416 1.00 0.00 C ATOM 1745 NH1 ARG A 224 116.368 -9.024 -6.817 1.00 0.00 N ATOM 1746 NH2 ARG A 224 118.300 -10.261 -6.785 1.00 0.00 N ATOM 0 H ARG A 224 115.466 -5.262 -13.018 1.00 0.00 H new ATOM 0 HA ARG A 224 115.051 -7.790 -11.862 1.00 0.00 H new ATOM 0 HB2 ARG A 224 117.205 -6.535 -12.470 1.00 0.00 H new ATOM 0 HB3 ARG A 224 117.046 -5.740 -10.917 1.00 0.00 H new ATOM 0 HG2 ARG A 224 117.372 -8.718 -11.412 1.00 0.00 H new ATOM 0 HG3 ARG A 224 118.554 -7.631 -10.710 1.00 0.00 H new ATOM 0 HD2 ARG A 224 116.814 -7.167 -8.864 1.00 0.00 H new ATOM 0 HD3 ARG A 224 115.919 -8.532 -9.504 1.00 0.00 H new ATOM 0 HE ARG A 224 118.624 -9.356 -9.080 1.00 0.00 H new ATOM 0 HH11 ARG A 224 115.733 -8.389 -7.300 1.00 0.00 H new ATOM 0 HH12 ARG A 224 116.150 -9.344 -5.873 1.00 0.00 H new ATOM 0 HH21 ARG A 224 119.154 -10.579 -7.243 1.00 0.00 H new ATOM 0 HH22 ARG A 224 118.078 -10.579 -5.841 1.00 0.00 H new ATOM 1760 N PHE A 225 114.609 -5.209 -9.838 1.00 0.00 N ATOM 1761 CA PHE A 225 113.968 -4.745 -8.609 1.00 0.00 C ATOM 1762 C PHE A 225 112.482 -5.089 -8.589 1.00 0.00 C ATOM 1763 O PHE A 225 111.977 -5.657 -7.623 1.00 0.00 O ATOM 1764 CB PHE A 225 114.122 -3.223 -8.498 1.00 0.00 C ATOM 1765 CG PHE A 225 115.454 -2.787 -7.949 1.00 0.00 C ATOM 1766 CD1 PHE A 225 116.632 -3.121 -8.598 1.00 0.00 C ATOM 1767 CD2 PHE A 225 115.525 -2.043 -6.780 1.00 0.00 C ATOM 1768 CE1 PHE A 225 117.855 -2.722 -8.090 1.00 0.00 C ATOM 1769 CE2 PHE A 225 116.744 -1.641 -6.270 1.00 0.00 C ATOM 1770 CZ PHE A 225 117.910 -1.981 -6.925 1.00 0.00 C ATOM 0 H PHE A 225 115.054 -4.466 -10.377 1.00 0.00 H new ATOM 0 HA PHE A 225 114.452 -5.244 -7.770 1.00 0.00 H new ATOM 0 HB2 PHE A 225 113.983 -2.780 -9.484 1.00 0.00 H new ATOM 0 HB3 PHE A 225 113.330 -2.832 -7.859 1.00 0.00 H new ATOM 0 HD1 PHE A 225 116.595 -3.699 -9.510 1.00 0.00 H new ATOM 0 HD2 PHE A 225 114.616 -1.775 -6.262 1.00 0.00 H new ATOM 0 HE1 PHE A 225 118.767 -2.989 -8.604 1.00 0.00 H new ATOM 0 HE2 PHE A 225 116.785 -1.061 -5.360 1.00 0.00 H new ATOM 0 HZ PHE A 225 118.864 -1.668 -6.528 1.00 0.00 H new ATOM 1780 N THR A 226 111.785 -4.713 -9.652 1.00 0.00 N ATOM 1781 CA THR A 226 110.348 -4.940 -9.766 1.00 0.00 C ATOM 1782 C THR A 226 109.964 -6.397 -9.509 1.00 0.00 C ATOM 1783 O THR A 226 109.128 -6.680 -8.657 1.00 0.00 O ATOM 1784 CB THR A 226 109.889 -4.548 -11.161 1.00 0.00 C ATOM 1785 OG1 THR A 226 110.443 -3.301 -11.540 1.00 0.00 O ATOM 1786 CG2 THR A 226 108.385 -4.432 -11.290 1.00 0.00 C ATOM 0 H THR A 226 112.197 -4.243 -10.458 1.00 0.00 H new ATOM 0 HA THR A 226 109.860 -4.329 -9.006 1.00 0.00 H new ATOM 0 HB THR A 226 110.234 -5.352 -11.811 1.00 0.00 H new ATOM 0 HG1 THR A 226 111.402 -3.407 -11.711 1.00 0.00 H new ATOM 0 HG21 THR A 226 108.128 -4.149 -12.311 1.00 0.00 H new ATOM 0 HG22 THR A 226 107.924 -5.391 -11.052 1.00 0.00 H new ATOM 0 HG23 THR A 226 108.018 -3.672 -10.600 1.00 0.00 H new ATOM 1794 N ARG A 227 110.560 -7.317 -10.261 1.00 0.00 N ATOM 1795 CA ARG A 227 110.250 -8.738 -10.112 1.00 0.00 C ATOM 1796 C ARG A 227 110.497 -9.209 -8.684 1.00 0.00 C ATOM 1797 O ARG A 227 109.747 -10.027 -8.145 1.00 0.00 O ATOM 1798 CB ARG A 227 111.088 -9.573 -11.084 1.00 0.00 C ATOM 1799 CG ARG A 227 110.903 -9.194 -12.546 1.00 0.00 C ATOM 1800 CD ARG A 227 109.483 -9.453 -13.028 1.00 0.00 C ATOM 1801 NE ARG A 227 109.337 -9.203 -14.460 1.00 0.00 N ATOM 1802 CZ ARG A 227 109.967 -9.901 -15.402 1.00 0.00 C ATOM 1803 NH1 ARG A 227 110.769 -10.902 -15.064 1.00 0.00 N ATOM 1804 NH2 ARG A 227 109.789 -9.602 -16.681 1.00 0.00 N ATOM 0 H ARG A 227 111.257 -7.108 -10.976 1.00 0.00 H new ATOM 0 HA ARG A 227 109.193 -8.873 -10.342 1.00 0.00 H new ATOM 0 HB2 ARG A 227 112.141 -9.467 -10.823 1.00 0.00 H new ATOM 0 HB3 ARG A 227 110.832 -10.625 -10.957 1.00 0.00 H new ATOM 0 HG2 ARG A 227 111.145 -8.140 -12.680 1.00 0.00 H new ATOM 0 HG3 ARG A 227 111.603 -9.762 -13.159 1.00 0.00 H new ATOM 0 HD2 ARG A 227 109.209 -10.485 -12.810 1.00 0.00 H new ATOM 0 HD3 ARG A 227 108.791 -8.816 -12.476 1.00 0.00 H new ATOM 0 HE ARG A 227 108.716 -8.450 -14.755 1.00 0.00 H new ATOM 0 HH11 ARG A 227 110.904 -11.138 -14.081 1.00 0.00 H new ATOM 0 HH12 ARG A 227 111.251 -11.436 -15.787 1.00 0.00 H new ATOM 0 HH21 ARG A 227 109.169 -8.836 -16.944 1.00 0.00 H new ATOM 0 HH22 ARG A 227 110.272 -10.138 -17.402 1.00 0.00 H new ATOM 1818 N ASN A 228 111.535 -8.666 -8.064 1.00 0.00 N ATOM 1819 CA ASN A 228 111.859 -9.022 -6.693 1.00 0.00 C ATOM 1820 C ASN A 228 110.877 -8.356 -5.743 1.00 0.00 C ATOM 1821 O ASN A 228 110.472 -8.940 -4.737 1.00 0.00 O ATOM 1822 CB ASN A 228 113.289 -8.610 -6.346 1.00 0.00 C ATOM 1823 CG ASN A 228 113.691 -9.058 -4.954 1.00 0.00 C ATOM 1824 OD1 ASN A 228 113.741 -10.254 -4.664 1.00 0.00 O ATOM 1825 ND2 ASN A 228 113.973 -8.100 -4.081 1.00 0.00 N ATOM 0 H ASN A 228 112.163 -7.982 -8.486 1.00 0.00 H new ATOM 0 HA ASN A 228 111.783 -10.104 -6.589 1.00 0.00 H new ATOM 0 HB2 ASN A 228 113.976 -9.037 -7.076 1.00 0.00 H new ATOM 0 HB3 ASN A 228 113.381 -7.526 -6.418 1.00 0.00 H new ATOM 0 HD21 ASN A 228 114.244 -8.342 -3.128 1.00 0.00 H new ATOM 0 HD22 ASN A 228 113.919 -7.121 -4.363 1.00 0.00 H new ATOM 1832 N ILE A 229 110.488 -7.132 -6.080 1.00 0.00 N ATOM 1833 CA ILE A 229 109.538 -6.385 -5.270 1.00 0.00 C ATOM 1834 C ILE A 229 108.109 -6.870 -5.494 1.00 0.00 C ATOM 1835 O ILE A 229 107.359 -7.067 -4.539 1.00 0.00 O ATOM 1836 CB ILE A 229 109.634 -4.868 -5.548 1.00 0.00 C ATOM 1837 CG1 ILE A 229 110.980 -4.340 -5.034 1.00 0.00 C ATOM 1838 CG2 ILE A 229 108.470 -4.114 -4.894 1.00 0.00 C ATOM 1839 CD1 ILE A 229 111.184 -2.858 -5.256 1.00 0.00 C ATOM 0 H ILE A 229 110.817 -6.637 -6.909 1.00 0.00 H new ATOM 0 HA ILE A 229 109.800 -6.563 -4.227 1.00 0.00 H new ATOM 0 HB ILE A 229 109.570 -4.701 -6.623 1.00 0.00 H new ATOM 0 HG12 ILE A 229 111.058 -4.551 -3.968 1.00 0.00 H new ATOM 0 HG13 ILE A 229 111.785 -4.885 -5.527 1.00 0.00 H new ATOM 0 HG21 ILE A 229 108.562 -3.049 -5.105 1.00 0.00 H new ATOM 0 HG22 ILE A 229 107.526 -4.483 -5.295 1.00 0.00 H new ATOM 0 HG23 ILE A 229 108.493 -4.273 -3.816 1.00 0.00 H new ATOM 0 HD11 ILE A 229 112.158 -2.562 -4.866 1.00 0.00 H new ATOM 0 HD12 ILE A 229 111.140 -2.640 -6.323 1.00 0.00 H new ATOM 0 HD13 ILE A 229 110.402 -2.302 -4.739 1.00 0.00 H new ATOM 1851 N ASP A 230 107.728 -7.053 -6.758 1.00 0.00 N ATOM 1852 CA ASP A 230 106.376 -7.501 -7.081 1.00 0.00 C ATOM 1853 C ASP A 230 106.159 -8.950 -6.683 1.00 0.00 C ATOM 1854 O ASP A 230 105.027 -9.432 -6.699 1.00 0.00 O ATOM 1855 CB ASP A 230 106.058 -7.299 -8.564 1.00 0.00 C ATOM 1856 CG ASP A 230 106.170 -5.851 -8.998 1.00 0.00 C ATOM 1857 OD1 ASP A 230 107.268 -5.272 -8.860 1.00 0.00 O ATOM 1858 OD2 ASP A 230 105.159 -5.295 -9.477 1.00 0.00 O ATOM 0 H ASP A 230 108.330 -6.900 -7.567 1.00 0.00 H new ATOM 0 HA ASP A 230 105.689 -6.885 -6.501 1.00 0.00 H new ATOM 0 HB2 ASP A 230 106.737 -7.906 -9.162 1.00 0.00 H new ATOM 0 HB3 ASP A 230 105.048 -7.657 -8.766 1.00 0.00 H new ATOM 1863 N ALA A 231 107.223 -9.639 -6.287 1.00 0.00 N ATOM 1864 CA ALA A 231 107.080 -11.018 -5.847 1.00 0.00 C ATOM 1865 C ALA A 231 105.809 -11.153 -5.009 1.00 0.00 C ATOM 1866 O ALA A 231 105.198 -12.221 -4.944 1.00 0.00 O ATOM 1867 CB ALA A 231 108.298 -11.449 -5.042 1.00 0.00 C ATOM 0 H ALA A 231 108.175 -9.273 -6.262 1.00 0.00 H new ATOM 0 HA ALA A 231 107.005 -11.667 -6.719 1.00 0.00 H new ATOM 0 HB1 ALA A 231 108.174 -12.483 -4.721 1.00 0.00 H new ATOM 0 HB2 ALA A 231 109.191 -11.366 -5.661 1.00 0.00 H new ATOM 0 HB3 ALA A 231 108.402 -10.807 -4.167 1.00 0.00 H new ATOM 1873 N ALA A 232 105.420 -10.043 -4.371 1.00 0.00 N ATOM 1874 CA ALA A 232 104.222 -10.005 -3.533 1.00 0.00 C ATOM 1875 C ALA A 232 102.970 -9.713 -4.356 1.00 0.00 C ATOM 1876 O ALA A 232 101.906 -10.271 -4.085 1.00 0.00 O ATOM 1877 CB ALA A 232 104.385 -8.965 -2.434 1.00 0.00 C ATOM 0 H ALA A 232 105.922 -9.157 -4.421 1.00 0.00 H new ATOM 0 HA ALA A 232 104.099 -10.989 -3.081 1.00 0.00 H new ATOM 0 HB1 ALA A 232 103.487 -8.945 -1.816 1.00 0.00 H new ATOM 0 HB2 ALA A 232 105.246 -9.221 -1.816 1.00 0.00 H new ATOM 0 HB3 ALA A 232 104.539 -7.983 -2.882 1.00 0.00 H new ATOM 1883 N LYS A 233 103.101 -8.871 -5.383 1.00 0.00 N ATOM 1884 CA LYS A 233 101.971 -8.558 -6.253 1.00 0.00 C ATOM 1885 C LYS A 233 102.416 -7.646 -7.395 1.00 0.00 C ATOM 1886 O LYS A 233 103.297 -6.808 -7.213 1.00 0.00 O ATOM 1887 CB LYS A 233 100.822 -7.918 -5.455 1.00 0.00 C ATOM 1888 CG LYS A 233 101.036 -6.454 -5.081 1.00 0.00 C ATOM 1889 CD LYS A 233 100.620 -5.478 -6.187 1.00 0.00 C ATOM 1890 CE LYS A 233 99.182 -5.689 -6.645 1.00 0.00 C ATOM 1891 NZ LYS A 233 98.248 -5.848 -5.496 1.00 0.00 N ATOM 0 H LYS A 233 103.971 -8.399 -5.629 1.00 0.00 H new ATOM 0 HA LYS A 233 101.600 -9.489 -6.681 1.00 0.00 H new ATOM 0 HB2 LYS A 233 99.905 -7.998 -6.039 1.00 0.00 H new ATOM 0 HB3 LYS A 233 100.670 -8.493 -4.541 1.00 0.00 H new ATOM 0 HG2 LYS A 233 100.469 -6.231 -4.177 1.00 0.00 H new ATOM 0 HG3 LYS A 233 102.088 -6.297 -4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 233 100.736 -4.456 -5.827 1.00 0.00 H new ATOM 0 HD3 LYS A 233 101.289 -5.594 -7.039 1.00 0.00 H new ATOM 0 HE2 LYS A 233 98.867 -4.841 -7.253 1.00 0.00 H new ATOM 0 HE3 LYS A 233 99.130 -6.574 -7.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 233 97.267 -5.785 -5.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 233 98.402 -6.775 -5.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 233 98.422 -5.095 -4.800 1.00 0.00 H new ATOM 1905 N PRO A 234 101.821 -7.793 -8.591 1.00 0.00 N ATOM 1906 CA PRO A 234 102.176 -6.973 -9.755 1.00 0.00 C ATOM 1907 C PRO A 234 101.587 -5.565 -9.690 1.00 0.00 C ATOM 1908 O PRO A 234 100.445 -5.376 -9.272 1.00 0.00 O ATOM 1909 CB PRO A 234 101.568 -7.756 -10.919 1.00 0.00 C ATOM 1910 CG PRO A 234 100.377 -8.425 -10.326 1.00 0.00 C ATOM 1911 CD PRO A 234 100.762 -8.772 -8.910 1.00 0.00 C ATOM 0 HA PRO A 234 103.252 -6.816 -9.833 1.00 0.00 H new ATOM 0 HB2 PRO A 234 101.287 -7.096 -11.739 1.00 0.00 H new ATOM 0 HB3 PRO A 234 102.274 -8.483 -11.322 1.00 0.00 H new ATOM 0 HG2 PRO A 234 99.509 -7.766 -10.345 1.00 0.00 H new ATOM 0 HG3 PRO A 234 100.110 -9.320 -10.889 1.00 0.00 H new ATOM 0 HD2 PRO A 234 99.915 -8.682 -8.230 1.00 0.00 H new ATOM 0 HD3 PRO A 234 101.126 -9.797 -8.833 1.00 0.00 H new ATOM 1919 N GLY A 235 102.372 -4.581 -10.132 1.00 0.00 N ATOM 1920 CA GLY A 235 101.915 -3.202 -10.144 1.00 0.00 C ATOM 1921 C GLY A 235 102.143 -2.466 -8.836 1.00 0.00 C ATOM 1922 O GLY A 235 101.918 -1.258 -8.760 1.00 0.00 O ATOM 0 H GLY A 235 103.320 -4.718 -10.483 1.00 0.00 H new ATOM 0 HA2 GLY A 235 102.427 -2.667 -10.944 1.00 0.00 H new ATOM 0 HA3 GLY A 235 100.851 -3.184 -10.378 1.00 0.00 H new ATOM 1926 N LEU A 236 102.563 -3.181 -7.796 1.00 0.00 N ATOM 1927 CA LEU A 236 102.779 -2.549 -6.499 1.00 0.00 C ATOM 1928 C LEU A 236 103.723 -1.355 -6.611 1.00 0.00 C ATOM 1929 O LEU A 236 103.505 -0.320 -5.984 1.00 0.00 O ATOM 1930 CB LEU A 236 103.331 -3.554 -5.483 1.00 0.00 C ATOM 1931 CG LEU A 236 104.854 -3.722 -5.460 1.00 0.00 C ATOM 1932 CD1 LEU A 236 105.275 -4.562 -4.255 1.00 0.00 C ATOM 1933 CD2 LEU A 236 105.351 -4.347 -6.761 1.00 0.00 C ATOM 0 H LEU A 236 102.758 -4.182 -7.824 1.00 0.00 H new ATOM 0 HA LEU A 236 101.810 -2.191 -6.150 1.00 0.00 H new ATOM 0 HB2 LEU A 236 103.004 -3.251 -4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 236 102.882 -4.527 -5.684 1.00 0.00 H new ATOM 0 HG LEU A 236 105.310 -2.736 -5.369 1.00 0.00 H new ATOM 0 HD11 LEU A 236 106.359 -4.674 -4.250 1.00 0.00 H new ATOM 0 HD12 LEU A 236 104.957 -4.067 -3.337 1.00 0.00 H new ATOM 0 HD13 LEU A 236 104.809 -5.545 -4.316 1.00 0.00 H new ATOM 0 HD21 LEU A 236 106.435 -4.456 -6.721 1.00 0.00 H new ATOM 0 HD22 LEU A 236 104.892 -5.327 -6.893 1.00 0.00 H new ATOM 0 HD23 LEU A 236 105.082 -3.705 -7.599 1.00 0.00 H new ATOM 1945 N ALA A 237 104.779 -1.520 -7.398 1.00 0.00 N ATOM 1946 CA ALA A 237 105.785 -0.479 -7.588 1.00 0.00 C ATOM 1947 C ALA A 237 105.171 0.824 -8.101 1.00 0.00 C ATOM 1948 O ALA A 237 105.442 1.899 -7.567 1.00 0.00 O ATOM 1949 CB ALA A 237 106.869 -0.978 -8.526 1.00 0.00 C ATOM 0 H ALA A 237 104.963 -2.376 -7.922 1.00 0.00 H new ATOM 0 HA ALA A 237 106.229 -0.256 -6.618 1.00 0.00 H new ATOM 0 HB1 ALA A 237 107.617 -0.198 -8.665 1.00 0.00 H new ATOM 0 HB2 ALA A 237 107.342 -1.862 -8.098 1.00 0.00 H new ATOM 0 HB3 ALA A 237 106.427 -1.233 -9.489 1.00 0.00 H new ATOM 1955 N ALA A 238 104.348 0.732 -9.132 1.00 0.00 N ATOM 1956 CA ALA A 238 103.706 1.919 -9.689 1.00 0.00 C ATOM 1957 C ALA A 238 102.710 2.519 -8.695 1.00 0.00 C ATOM 1958 O ALA A 238 102.596 3.741 -8.561 1.00 0.00 O ATOM 1959 CB ALA A 238 103.015 1.582 -11.001 1.00 0.00 C ATOM 0 H ALA A 238 104.108 -0.142 -9.599 1.00 0.00 H new ATOM 0 HA ALA A 238 104.478 2.664 -9.884 1.00 0.00 H new ATOM 0 HB1 ALA A 238 102.541 2.477 -11.403 1.00 0.00 H new ATOM 0 HB2 ALA A 238 103.750 1.209 -11.714 1.00 0.00 H new ATOM 0 HB3 ALA A 238 102.258 0.818 -10.827 1.00 0.00 H new ATOM 1965 N TYR A 239 101.984 1.639 -8.015 1.00 0.00 N ATOM 1966 CA TYR A 239 100.972 2.029 -7.041 1.00 0.00 C ATOM 1967 C TYR A 239 101.576 2.770 -5.848 1.00 0.00 C ATOM 1968 O TYR A 239 100.955 3.664 -5.277 1.00 0.00 O ATOM 1969 CB TYR A 239 100.260 0.777 -6.541 1.00 0.00 C ATOM 1970 CG TYR A 239 98.981 1.054 -5.788 1.00 0.00 C ATOM 1971 CD1 TYR A 239 97.836 1.464 -6.459 1.00 0.00 C ATOM 1972 CD2 TYR A 239 98.915 0.906 -4.408 1.00 0.00 C ATOM 1973 CE1 TYR A 239 96.662 1.715 -5.778 1.00 0.00 C ATOM 1974 CE2 TYR A 239 97.745 1.157 -3.720 1.00 0.00 C ATOM 1975 CZ TYR A 239 96.621 1.561 -4.410 1.00 0.00 C ATOM 1976 OH TYR A 239 95.452 1.813 -3.732 1.00 0.00 O ATOM 0 H TYR A 239 102.082 0.630 -8.125 1.00 0.00 H new ATOM 0 HA TYR A 239 100.275 2.706 -7.534 1.00 0.00 H new ATOM 0 HB2 TYR A 239 100.036 0.135 -7.393 1.00 0.00 H new ATOM 0 HB3 TYR A 239 100.938 0.221 -5.893 1.00 0.00 H new ATOM 0 HD1 TYR A 239 97.865 1.588 -7.531 1.00 0.00 H new ATOM 0 HD2 TYR A 239 99.793 0.589 -3.865 1.00 0.00 H new ATOM 0 HE1 TYR A 239 95.780 2.031 -6.315 1.00 0.00 H new ATOM 0 HE2 TYR A 239 97.710 1.038 -2.647 1.00 0.00 H new ATOM 0 HH TYR A 239 94.814 2.253 -4.332 1.00 0.00 H new ATOM 1986 N MET A 240 102.782 2.367 -5.459 1.00 0.00 N ATOM 1987 CA MET A 240 103.459 2.970 -4.316 1.00 0.00 C ATOM 1988 C MET A 240 103.971 4.375 -4.609 1.00 0.00 C ATOM 1989 O MET A 240 103.737 5.292 -3.826 1.00 0.00 O ATOM 1990 CB MET A 240 104.624 2.100 -3.829 1.00 0.00 C ATOM 1991 CG MET A 240 105.641 1.750 -4.892 1.00 0.00 C ATOM 1992 SD MET A 240 107.120 0.975 -4.209 1.00 0.00 S ATOM 1993 CE MET A 240 106.404 -0.363 -3.256 1.00 0.00 C ATOM 0 H MET A 240 103.310 1.625 -5.919 1.00 0.00 H new ATOM 0 HA MET A 240 102.706 3.040 -3.531 1.00 0.00 H new ATOM 0 HB2 MET A 240 105.132 2.620 -3.017 1.00 0.00 H new ATOM 0 HB3 MET A 240 104.221 1.176 -3.414 1.00 0.00 H new ATOM 0 HG2 MET A 240 105.185 1.077 -5.618 1.00 0.00 H new ATOM 0 HG3 MET A 240 105.925 2.655 -5.430 1.00 0.00 H new ATOM 0 HE1 MET A 240 107.181 -1.082 -2.997 1.00 0.00 H new ATOM 0 HE2 MET A 240 105.960 0.037 -2.344 1.00 0.00 H new ATOM 0 HE3 MET A 240 105.634 -0.859 -3.847 1.00 0.00 H new ATOM 2003 N ARG A 241 104.705 4.549 -5.708 1.00 0.00 N ATOM 2004 CA ARG A 241 105.264 5.860 -6.007 1.00 0.00 C ATOM 2005 C ARG A 241 104.198 6.937 -5.985 1.00 0.00 C ATOM 2006 O ARG A 241 104.373 7.988 -5.381 1.00 0.00 O ATOM 2007 CB ARG A 241 105.936 5.903 -7.376 1.00 0.00 C ATOM 2008 CG ARG A 241 106.524 7.283 -7.664 1.00 0.00 C ATOM 2009 CD ARG A 241 106.190 7.792 -9.054 1.00 0.00 C ATOM 2010 NE ARG A 241 104.770 7.655 -9.365 1.00 0.00 N ATOM 2011 CZ ARG A 241 104.230 8.030 -10.521 1.00 0.00 C ATOM 2012 NH1 ARG A 241 104.990 8.561 -11.469 1.00 0.00 N ATOM 2013 NH2 ARG A 241 102.930 7.873 -10.730 1.00 0.00 N ATOM 0 H ARG A 241 104.920 3.819 -6.387 1.00 0.00 H new ATOM 0 HA ARG A 241 106.006 6.045 -5.230 1.00 0.00 H new ATOM 0 HB2 ARG A 241 106.726 5.153 -7.419 1.00 0.00 H new ATOM 0 HB3 ARG A 241 105.210 5.647 -8.148 1.00 0.00 H new ATOM 0 HG2 ARG A 241 106.152 7.992 -6.924 1.00 0.00 H new ATOM 0 HG3 ARG A 241 107.607 7.242 -7.549 1.00 0.00 H new ATOM 0 HD2 ARG A 241 106.478 8.840 -9.134 1.00 0.00 H new ATOM 0 HD3 ARG A 241 106.776 7.243 -9.791 1.00 0.00 H new ATOM 0 HE ARG A 241 104.158 7.249 -8.657 1.00 0.00 H new ATOM 0 HH11 ARG A 241 105.991 8.682 -11.312 1.00 0.00 H new ATOM 0 HH12 ARG A 241 104.574 8.848 -12.355 1.00 0.00 H new ATOM 0 HH21 ARG A 241 102.342 7.464 -10.003 1.00 0.00 H new ATOM 0 HH22 ARG A 241 102.518 8.161 -11.617 1.00 0.00 H new ATOM 2027 N ASP A 242 103.101 6.666 -6.673 1.00 0.00 N ATOM 2028 CA ASP A 242 102.005 7.619 -6.754 1.00 0.00 C ATOM 2029 C ASP A 242 101.490 7.936 -5.359 1.00 0.00 C ATOM 2030 O ASP A 242 101.222 9.092 -5.031 1.00 0.00 O ATOM 2031 CB ASP A 242 100.888 7.079 -7.643 1.00 0.00 C ATOM 2032 CG ASP A 242 100.442 5.701 -7.225 1.00 0.00 C ATOM 2033 OD1 ASP A 242 100.088 5.532 -6.043 1.00 0.00 O ATOM 2034 OD2 ASP A 242 100.442 4.794 -8.081 1.00 0.00 O ATOM 0 H ASP A 242 102.945 5.796 -7.183 1.00 0.00 H new ATOM 0 HA ASP A 242 102.371 8.542 -7.204 1.00 0.00 H new ATOM 0 HB2 ASP A 242 100.038 7.760 -7.609 1.00 0.00 H new ATOM 0 HB3 ASP A 242 101.231 7.050 -8.677 1.00 0.00 H new ATOM 2039 N ALA A 243 101.391 6.906 -4.529 1.00 0.00 N ATOM 2040 CA ALA A 243 100.952 7.081 -3.155 1.00 0.00 C ATOM 2041 C ALA A 243 101.945 7.976 -2.425 1.00 0.00 C ATOM 2042 O ALA A 243 101.568 8.875 -1.676 1.00 0.00 O ATOM 2043 CB ALA A 243 100.842 5.732 -2.458 1.00 0.00 C ATOM 0 H ALA A 243 101.609 5.943 -4.785 1.00 0.00 H new ATOM 0 HA ALA A 243 99.967 7.549 -3.145 1.00 0.00 H new ATOM 0 HB1 ALA A 243 100.512 5.880 -1.430 1.00 0.00 H new ATOM 0 HB2 ALA A 243 100.120 5.108 -2.985 1.00 0.00 H new ATOM 0 HB3 ALA A 243 101.815 5.241 -2.460 1.00 0.00 H new ATOM 2049 N ILE A 244 103.225 7.711 -2.675 1.00 0.00 N ATOM 2050 CA ILE A 244 104.317 8.469 -2.079 1.00 0.00 C ATOM 2051 C ILE A 244 104.447 9.845 -2.718 1.00 0.00 C ATOM 2052 O ILE A 244 104.645 10.845 -2.027 1.00 0.00 O ATOM 2053 CB ILE A 244 105.657 7.728 -2.245 1.00 0.00 C ATOM 2054 CG1 ILE A 244 105.596 6.348 -1.589 1.00 0.00 C ATOM 2055 CG2 ILE A 244 106.794 8.552 -1.659 1.00 0.00 C ATOM 2056 CD1 ILE A 244 106.823 5.501 -1.845 1.00 0.00 C ATOM 0 H ILE A 244 103.532 6.964 -3.297 1.00 0.00 H new ATOM 0 HA ILE A 244 104.084 8.580 -1.020 1.00 0.00 H new ATOM 0 HB ILE A 244 105.845 7.589 -3.310 1.00 0.00 H new ATOM 0 HG12 ILE A 244 105.468 6.471 -0.514 1.00 0.00 H new ATOM 0 HG13 ILE A 244 104.717 5.819 -1.956 1.00 0.00 H new ATOM 0 HG21 ILE A 244 107.734 8.015 -1.784 1.00 0.00 H new ATOM 0 HG22 ILE A 244 106.852 9.510 -2.175 1.00 0.00 H new ATOM 0 HG23 ILE A 244 106.611 8.721 -0.598 1.00 0.00 H new ATOM 0 HD11 ILE A 244 106.709 4.537 -1.350 1.00 0.00 H new ATOM 0 HD12 ILE A 244 106.941 5.346 -2.917 1.00 0.00 H new ATOM 0 HD13 ILE A 244 107.704 6.009 -1.453 1.00 0.00 H new ATOM 2068 N LEU A 245 104.349 9.887 -4.041 1.00 0.00 N ATOM 2069 CA LEU A 245 104.466 11.129 -4.771 1.00 0.00 C ATOM 2070 C LEU A 245 103.357 12.084 -4.344 1.00 0.00 C ATOM 2071 O LEU A 245 103.597 13.252 -4.033 1.00 0.00 O ATOM 2072 CB LEU A 245 104.400 10.842 -6.268 1.00 0.00 C ATOM 2073 CG LEU A 245 104.748 12.020 -7.175 1.00 0.00 C ATOM 2074 CD1 LEU A 245 104.930 11.537 -8.604 1.00 0.00 C ATOM 2075 CD2 LEU A 245 103.670 13.094 -7.093 1.00 0.00 C ATOM 0 H LEU A 245 104.188 9.067 -4.627 1.00 0.00 H new ATOM 0 HA LEU A 245 105.423 11.602 -4.551 1.00 0.00 H new ATOM 0 HB2 LEU A 245 105.078 10.019 -6.493 1.00 0.00 H new ATOM 0 HB3 LEU A 245 103.393 10.502 -6.512 1.00 0.00 H new ATOM 0 HG LEU A 245 105.686 12.462 -6.838 1.00 0.00 H new ATOM 0 HD11 LEU A 245 105.178 12.383 -9.245 1.00 0.00 H new ATOM 0 HD12 LEU A 245 105.737 10.805 -8.641 1.00 0.00 H new ATOM 0 HD13 LEU A 245 104.006 11.076 -8.953 1.00 0.00 H new ATOM 0 HD21 LEU A 245 103.935 13.926 -7.746 1.00 0.00 H new ATOM 0 HD22 LEU A 245 102.714 12.675 -7.408 1.00 0.00 H new ATOM 0 HD23 LEU A 245 103.589 13.450 -6.066 1.00 0.00 H new ATOM 2087 N ALA A 246 102.143 11.546 -4.303 1.00 0.00 N ATOM 2088 CA ALA A 246 100.962 12.290 -3.884 1.00 0.00 C ATOM 2089 C ALA A 246 101.075 12.695 -2.421 1.00 0.00 C ATOM 2090 O ALA A 246 100.774 13.829 -2.054 1.00 0.00 O ATOM 2091 CB ALA A 246 99.719 11.439 -4.087 1.00 0.00 C ATOM 0 H ALA A 246 101.950 10.578 -4.560 1.00 0.00 H new ATOM 0 HA ALA A 246 100.887 13.193 -4.490 1.00 0.00 H new ATOM 0 HB1 ALA A 246 98.839 12.000 -3.772 1.00 0.00 H new ATOM 0 HB2 ALA A 246 99.625 11.178 -5.141 1.00 0.00 H new ATOM 0 HB3 ALA A 246 99.801 10.528 -3.493 1.00 0.00 H new ATOM 2097 N ASN A 247 101.515 11.754 -1.593 1.00 0.00 N ATOM 2098 CA ASN A 247 101.677 11.993 -0.166 1.00 0.00 C ATOM 2099 C ASN A 247 102.551 13.217 0.084 1.00 0.00 C ATOM 2100 O ASN A 247 102.290 14.003 0.994 1.00 0.00 O ATOM 2101 CB ASN A 247 102.310 10.765 0.485 1.00 0.00 C ATOM 2102 CG ASN A 247 102.614 10.976 1.955 1.00 0.00 C ATOM 2103 OD1 ASN A 247 103.330 11.907 2.326 1.00 0.00 O ATOM 2104 ND2 ASN A 247 102.079 10.103 2.801 1.00 0.00 N ATOM 0 H ASN A 247 101.767 10.811 -1.890 1.00 0.00 H new ATOM 0 HA ASN A 247 100.696 12.178 0.271 1.00 0.00 H new ATOM 0 HB2 ASN A 247 101.639 9.913 0.375 1.00 0.00 H new ATOM 0 HB3 ASN A 247 103.231 10.514 -0.040 1.00 0.00 H new ATOM 0 HD21 ASN A 247 102.255 10.189 3.802 1.00 0.00 H new ATOM 0 HD22 ASN A 247 101.492 9.347 2.450 1.00 0.00 H new ATOM 2111 N ALA A 248 103.587 13.374 -0.733 1.00 0.00 N ATOM 2112 CA ALA A 248 104.496 14.506 -0.600 1.00 0.00 C ATOM 2113 C ALA A 248 103.776 15.818 -0.885 1.00 0.00 C ATOM 2114 O ALA A 248 103.980 16.808 -0.184 1.00 0.00 O ATOM 2115 CB ALA A 248 105.693 14.340 -1.523 1.00 0.00 C ATOM 0 H ALA A 248 103.818 12.733 -1.492 1.00 0.00 H new ATOM 0 HA ALA A 248 104.855 14.534 0.429 1.00 0.00 H new ATOM 0 HB1 ALA A 248 106.361 15.194 -1.410 1.00 0.00 H new ATOM 0 HB2 ALA A 248 106.227 13.425 -1.265 1.00 0.00 H new ATOM 0 HB3 ALA A 248 105.350 14.281 -2.556 1.00 0.00 H new ATOM 2121 N VAL A 249 102.925 15.822 -1.905 1.00 0.00 N ATOM 2122 CA VAL A 249 102.175 17.020 -2.253 1.00 0.00 C ATOM 2123 C VAL A 249 101.428 17.550 -1.034 1.00 0.00 C ATOM 2124 O VAL A 249 101.398 18.753 -0.776 1.00 0.00 O ATOM 2125 CB VAL A 249 101.166 16.747 -3.385 1.00 0.00 C ATOM 2126 CG1 VAL A 249 100.405 18.014 -3.740 1.00 0.00 C ATOM 2127 CG2 VAL A 249 101.874 16.181 -4.606 1.00 0.00 C ATOM 0 H VAL A 249 102.739 15.015 -2.501 1.00 0.00 H new ATOM 0 HA VAL A 249 102.893 17.764 -2.599 1.00 0.00 H new ATOM 0 HB VAL A 249 100.447 16.006 -3.035 1.00 0.00 H new ATOM 0 HG11 VAL A 249 99.697 17.801 -4.541 1.00 0.00 H new ATOM 0 HG12 VAL A 249 99.864 18.371 -2.864 1.00 0.00 H new ATOM 0 HG13 VAL A 249 101.107 18.780 -4.070 1.00 0.00 H new ATOM 0 HG21 VAL A 249 101.146 15.994 -5.395 1.00 0.00 H new ATOM 0 HG22 VAL A 249 102.617 16.896 -4.960 1.00 0.00 H new ATOM 0 HG23 VAL A 249 102.368 15.246 -4.340 1.00 0.00 H new ATOM 2137 N ARG A 250 100.827 16.634 -0.287 1.00 0.00 N ATOM 2138 CA ARG A 250 100.077 16.981 0.911 1.00 0.00 C ATOM 2139 C ARG A 250 100.923 17.827 1.853 1.00 0.00 C ATOM 2140 O ARG A 250 100.403 18.491 2.749 1.00 0.00 O ATOM 2141 CB ARG A 250 99.655 15.700 1.634 1.00 0.00 C ATOM 2142 CG ARG A 250 99.192 14.599 0.700 1.00 0.00 C ATOM 2143 CD ARG A 250 97.976 15.034 -0.083 1.00 0.00 C ATOM 2144 NE ARG A 250 96.870 15.345 0.810 1.00 0.00 N ATOM 2145 CZ ARG A 250 95.676 15.754 0.394 1.00 0.00 C ATOM 2146 NH1 ARG A 250 95.437 15.900 -0.902 1.00 0.00 N ATOM 2147 NH2 ARG A 250 94.719 16.014 1.274 1.00 0.00 N ATOM 0 H ARG A 250 100.845 15.635 -0.493 1.00 0.00 H new ATOM 0 HA ARG A 250 99.199 17.555 0.615 1.00 0.00 H new ATOM 0 HB2 ARG A 250 100.494 15.334 2.226 1.00 0.00 H new ATOM 0 HB3 ARG A 250 98.851 15.935 2.332 1.00 0.00 H new ATOM 0 HG2 ARG A 250 99.997 14.336 0.014 1.00 0.00 H new ATOM 0 HG3 ARG A 250 98.958 13.703 1.275 1.00 0.00 H new ATOM 0 HD2 ARG A 250 98.220 15.909 -0.685 1.00 0.00 H new ATOM 0 HD3 ARG A 250 97.681 14.244 -0.773 1.00 0.00 H new ATOM 0 HE ARG A 250 97.020 15.243 1.814 1.00 0.00 H new ATOM 0 HH11 ARG A 250 96.170 15.698 -1.582 1.00 0.00 H new ATOM 0 HH12 ARG A 250 94.520 16.214 -1.219 1.00 0.00 H new ATOM 0 HH21 ARG A 250 94.899 15.900 2.272 1.00 0.00 H new ATOM 0 HH22 ARG A 250 93.803 16.328 0.953 1.00 0.00 H new ATOM 2161 N HIS A 251 102.236 17.757 1.667 1.00 0.00 N ATOM 2162 CA HIS A 251 103.177 18.474 2.526 1.00 0.00 C ATOM 2163 C HIS A 251 103.871 19.634 1.810 1.00 0.00 C ATOM 2164 O HIS A 251 104.077 20.694 2.400 1.00 0.00 O ATOM 2165 CB HIS A 251 104.219 17.485 3.046 1.00 0.00 C ATOM 2166 CG HIS A 251 103.602 16.264 3.653 1.00 0.00 C ATOM 2167 ND1 HIS A 251 102.702 15.470 2.976 1.00 0.00 N ATOM 2168 CD2 HIS A 251 103.741 15.709 4.882 1.00 0.00 C ATOM 2169 CE1 HIS A 251 102.309 14.483 3.759 1.00 0.00 C ATOM 2170 NE2 HIS A 251 102.926 14.603 4.921 1.00 0.00 N ATOM 0 H HIS A 251 102.676 17.210 0.927 1.00 0.00 H new ATOM 0 HA HIS A 251 102.611 18.910 3.349 1.00 0.00 H new ATOM 0 HB2 HIS A 251 104.873 17.188 2.226 1.00 0.00 H new ATOM 0 HB3 HIS A 251 104.844 17.979 3.789 1.00 0.00 H new ATOM 0 HD1 HIS A 251 102.388 15.622 2.017 1.00 0.00 H new ATOM 0 HD2 HIS A 251 104.373 16.068 5.680 1.00 0.00 H new ATOM 0 HE1 HIS A 251 101.603 13.709 3.495 1.00 0.00 H new ATOM 2179 N THR A 252 104.250 19.432 0.552 1.00 0.00 N ATOM 2180 CA THR A 252 104.941 20.475 -0.204 1.00 0.00 C ATOM 2181 C THR A 252 104.212 21.814 -0.076 1.00 0.00 C ATOM 2182 O THR A 252 102.982 21.860 -0.095 1.00 0.00 O ATOM 2183 CB THR A 252 105.059 20.094 -1.682 1.00 0.00 C ATOM 2184 OG1 THR A 252 106.050 20.882 -2.320 1.00 0.00 O ATOM 2185 CG2 THR A 252 103.774 20.286 -2.457 1.00 0.00 C ATOM 0 H THR A 252 104.093 18.565 0.037 1.00 0.00 H new ATOM 0 HA THR A 252 105.942 20.575 0.215 1.00 0.00 H new ATOM 0 HB THR A 252 105.318 19.035 -1.686 1.00 0.00 H new ATOM 0 HG1 THR A 252 106.115 20.625 -3.264 1.00 0.00 H new ATOM 0 HG21 THR A 252 103.929 19.997 -3.496 1.00 0.00 H new ATOM 0 HG22 THR A 252 102.990 19.666 -2.021 1.00 0.00 H new ATOM 0 HG23 THR A 252 103.475 21.333 -2.412 1.00 0.00 H new ATOM 2193 N PRO A 253 104.960 22.925 0.050 1.00 0.00 N ATOM 2194 CA PRO A 253 104.369 24.262 0.173 1.00 0.00 C ATOM 2195 C PRO A 253 103.826 24.776 -1.157 1.00 0.00 C ATOM 2196 O PRO A 253 104.605 25.389 -1.916 1.00 0.00 O ATOM 2197 CB PRO A 253 105.548 25.118 0.641 1.00 0.00 C ATOM 2198 CG PRO A 253 106.740 24.449 0.050 1.00 0.00 C ATOM 2199 CD PRO A 253 106.437 22.973 0.077 1.00 0.00 C ATOM 2200 OXT PRO A 253 102.626 24.560 -1.427 1.00 0.00 O ATOM 0 HA PRO A 253 103.516 24.278 0.851 1.00 0.00 H new ATOM 0 HB2 PRO A 253 105.456 26.147 0.294 1.00 0.00 H new ATOM 0 HB3 PRO A 253 105.609 25.152 1.729 1.00 0.00 H new ATOM 0 HG2 PRO A 253 106.917 24.793 -0.969 1.00 0.00 H new ATOM 0 HG3 PRO A 253 107.639 24.674 0.623 1.00 0.00 H new ATOM 0 HD2 PRO A 253 106.871 22.458 -0.780 1.00 0.00 H new ATOM 0 HD3 PRO A 253 106.838 22.497 0.972 1.00 0.00 H new TER 2208 PRO A 253 ATOM 2209 CA SER B 501 119.801 4.929 0.021 1.00 0.00 C ATOM 2210 C SER B 501 120.173 3.746 0.773 1.00 0.00 C ATOM 2211 CB SER B 501 120.578 6.043 0.092 1.00 0.00 C HETATM 2213 N BB9 B 502 120.286 2.461 0.344 1.00 0.00 N HETATM 2214 CA BB9 B 502 120.813 1.616 1.340 1.00 0.00 C HETATM 2215 C BB9 B 502 120.966 0.211 1.119 1.00 0.00 C HETATM 2216 O BB9 B 502 121.438 -0.522 1.980 1.00 0.00 O HETATM 2217 CB BB9 B 502 121.082 2.266 2.492 1.00 0.00 C HETATM 2218 SG BB9 B 502 120.686 3.897 2.350 1.00 0.00 S HETATM 0 HN1 BB9 B 502 120.005 2.074 -0.557 1.00 0.00 H new HETATM 0 HB BB9 B 502 121.496 1.802 3.387 1.00 0.00 H new ATOM 2220 N VAL B 503 120.546 -0.214 -0.070 1.00 0.00 N ATOM 2221 CA VAL B 503 120.581 -1.610 -0.511 1.00 0.00 C ATOM 2222 C VAL B 503 120.109 -1.673 -1.961 1.00 0.00 C ATOM 2223 O VAL B 503 119.292 -0.852 -2.377 1.00 0.00 O ATOM 2224 CB VAL B 503 119.676 -2.541 0.342 1.00 0.00 C ATOM 2225 CG1 VAL B 503 119.751 -3.976 -0.178 1.00 0.00 C ATOM 2226 CG2 VAL B 503 120.052 -2.509 1.818 1.00 0.00 C ATOM 0 H VAL B 503 120.162 0.417 -0.773 1.00 0.00 H new ATOM 0 HA VAL B 503 121.607 -1.960 -0.399 1.00 0.00 H new ATOM 0 HB VAL B 503 118.655 -2.171 0.250 1.00 0.00 H new ATOM 0 HG11 VAL B 503 119.112 -4.617 0.429 1.00 0.00 H new ATOM 0 HG12 VAL B 503 119.415 -4.005 -1.214 1.00 0.00 H new ATOM 0 HG13 VAL B 503 120.780 -4.331 -0.120 1.00 0.00 H new ATOM 0 HG21 VAL B 503 119.393 -3.174 2.376 1.00 0.00 H new ATOM 0 HG22 VAL B 503 121.085 -2.837 1.938 1.00 0.00 H new ATOM 0 HG23 VAL B 503 119.948 -1.493 2.198 1.00 0.00 H new ATOM 2236 N GLY B 504 120.629 -2.618 -2.743 1.00 0.00 N ATOM 2237 CA GLY B 504 120.238 -2.707 -4.140 1.00 0.00 C ATOM 2238 C GLY B 504 119.332 -3.800 -4.423 1.00 0.00 C ATOM 0 H GLY B 504 121.307 -3.316 -2.438 1.00 0.00 H new ATOM 0 HA2 GLY B 504 119.766 -1.770 -4.436 1.00 0.00 H new ATOM 0 HA3 GLY B 504 121.133 -2.821 -4.752 1.00 0.00 H new HETATM 2242 N MOZ B 505 118.081 -3.796 -3.907 1.00 0.00 N HETATM 2243 OG MOZ B 505 119.509 -4.942 -5.156 1.00 0.00 O HETATM 2244 CA MOZ B 505 117.470 -4.996 -4.336 1.00 0.00 C HETATM 2245 CB MOZ B 505 118.317 -5.692 -5.093 1.00 0.00 C HETATM 2246 C MOZ B 505 116.051 -5.228 -3.827 1.00 0.00 C HETATM 2247 O MOZ B 505 115.470 -6.268 -4.134 1.00 0.00 O HETATM 2248 C6 MOZ B 505 118.183 -6.993 -5.824 1.00 0.00 C ATOM 2252 N ALA B 506 115.503 -4.259 -3.105 1.00 0.00 N ATOM 2253 CA ALA B 506 114.148 -4.332 -2.556 1.00 0.00 C ATOM 2254 C ALA B 506 113.666 -3.067 -1.816 1.00 0.00 C ATOM 2255 CB ALA B 506 114.044 -5.533 -1.629 1.00 0.00 C ATOM 0 H ALA B 506 115.988 -3.391 -2.880 1.00 0.00 H new ATOM 0 HA ALA B 506 113.489 -4.429 -3.419 1.00 0.00 H new ATOM 0 HB1 ALA B 506 113.036 -5.590 -1.219 1.00 0.00 H new ATOM 0 HB2 ALA B 506 114.260 -6.444 -2.188 1.00 0.00 H new ATOM 0 HB3 ALA B 506 114.761 -5.428 -0.815 1.00 0.00 H new HETATM 2261 N BB9 B 507 114.405 -2.136 -1.133 1.00 0.00 N HETATM 2262 CA BB9 B 507 113.593 -1.096 -0.600 1.00 0.00 C HETATM 2263 C BB9 B 507 114.063 0.052 0.133 1.00 0.00 C HETATM 2264 O BB9 B 507 113.276 0.908 0.535 1.00 0.00 O HETATM 2265 CB BB9 B 507 112.286 -1.281 -0.888 1.00 0.00 C HETATM 2266 SG BB9 B 507 112.042 -2.686 -1.795 1.00 0.00 S HETATM 0 HN1 BB9 B 507 115.417 -2.107 -1.009 1.00 0.00 H new HETATM 0 HB BB9 B 507 111.488 -0.608 -0.574 1.00 0.00 H new ATOM 2268 N ALA B 508 115.367 0.132 0.369 1.00 0.00 N ATOM 2269 CA ALA B 508 115.950 1.245 1.094 1.00 0.00 C ATOM 2270 C ALA B 508 116.602 2.229 0.135 1.00 0.00 C ATOM 2271 CB ALA B 508 116.976 0.740 2.101 1.00 0.00 C ATOM 0 H ALA B 508 116.042 -0.569 0.064 1.00 0.00 H new ATOM 0 HA ALA B 508 115.152 1.760 1.629 1.00 0.00 H new ATOM 0 HB1 ALA B 508 117.406 1.586 2.638 1.00 0.00 H new ATOM 0 HB2 ALA B 508 116.491 0.069 2.810 1.00 0.00 H new ATOM 0 HB3 ALA B 508 117.767 0.204 1.577 1.00 0.00 H new HETATM 2277 N MOZ B 509 117.501 3.166 0.427 1.00 0.00 N HETATM 2278 OG MOZ B 509 116.301 2.236 -1.205 1.00 0.00 O HETATM 2279 CA MOZ B 509 117.780 3.797 -0.785 1.00 0.00 C HETATM 2280 CB MOZ B 509 117.084 3.266 -1.776 1.00 0.00 C HETATM 2281 C MOZ B 509 118.730 4.940 -0.831 1.00 0.00 C HETATM 2282 C6 MOZ B 509 117.045 3.623 -3.228 1.00 0.00 C HETATM 2286 CAF NAK B 510 118.858 8.264 -2.328 1.00 0.00 C HETATM 2287 OAD NAK B 510 119.482 9.304 -2.130 1.00 0.00 O HETATM 2288 CAG NAK B 510 119.273 7.093 -1.507 1.00 0.00 C HETATM 2289 CAE NAK B 510 120.332 7.144 -0.664 1.00 0.00 C HETATM 2290 NAB NAK B 510 118.464 6.013 -1.612 1.00 0.00 N HETATM 0 HAE3 NAK B 510 121.235 7.376 -1.228 1.00 0.00 H new HETATM 0 HAE2 NAK B 510 120.164 7.917 0.085 1.00 0.00 H new HETATM 0 HAB1 NAK B 510 117.645 6.046 -2.219 1.00 0.00 H new ATOM 2292 N ALA B 511 118.725 7.870 -3.573 1.00 0.00 N ATOM 2293 CA ALA B 511 118.311 8.761 -4.660 1.00 0.00 C ATOM 2294 C ALA B 511 118.501 10.229 -4.288 1.00 0.00 C ATOM 2295 O ALA B 511 117.578 11.035 -4.399 1.00 0.00 O ATOM 2296 CB ALA B 511 116.848 8.493 -5.025 1.00 0.00 C ATOM 0 HA ALA B 511 118.944 8.555 -5.523 1.00 0.00 H new ATOM 0 HB1 ALA B 511 116.547 9.159 -5.834 1.00 0.00 H new ATOM 0 HB2 ALA B 511 116.737 7.458 -5.347 1.00 0.00 H new ATOM 0 HB3 ALA B 511 116.217 8.671 -4.154 1.00 0.00 H new HETATM 2301 N NH2 B 512 119.702 10.574 -3.842 1.00 0.00 N TER 2304 NH2 B 512