USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 556 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 27 HIS HE2 : B 27 HIS NE2 : B 37 ZNZN :(H bumps) USER MOD Set 1.1: A 231 TYR OH : rot -114:sc= 1.27 USER MOD Set 1.2: A 235 ASN : amide:sc= 0.875 K(o=4.2,f=0.089!) USER MOD Set 1.3: A 237 GLN : amide:sc= 2.07 K(o=4.2,f=-4) USER MOD Set 2.1: A 220 THR OG1 : rot -91:sc= 1.2 USER MOD Set 2.2: A 222 HIS : no HD1:sc= -2.02 K(o=-1.1,f=-5.2!) USER MOD Set 2.3: A 232 HIS : no HE2:sc= -0.032 K(o=-1.1,f=-7.1!) USER MOD Set 2.4: A 238 ASN : amide:sc= -0.257 K(o=-1.1,f=-10!) USER MOD Single : A 206 ASN :FLIP amide:sc= -0.0705 F(o=-1.3,f=-0.07) USER MOD Single : A 210 THR OG1 : rot -45:sc= 1.88 USER MOD Single : A 212 THR OG1 : rot -125:sc= 0.476 USER MOD Single : A 223 TYR OH : rot 180:sc= 0 USER MOD Single : A 226 ASN : amide:sc= 0.872 K(o=0.87,f=-0.012) USER MOD Single : A 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 92:sc= 0.922 USER MOD Single : B 22 SER OG : rot 80:sc= 0.148 USER MOD Single : B 23 THR OG1 : rot -79:sc=-0.00459 USER MOD Single : B 28 GLN : amide:sc= 1.22 K(o=1.2,f=-0.15) USER MOD Single : B 30 TYR OH : rot -148:sc= 1.27 USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 200 0.637 -15.090 -0.704 1.00 1.00 N ATOM 2 CA GLU A 200 -0.322 -14.076 -0.211 1.00 1.00 C ATOM 3 C GLU A 200 -1.327 -13.749 -1.306 1.00 1.00 C ATOM 4 O GLU A 200 -1.130 -14.126 -2.461 1.00 1.00 O ATOM 5 CB GLU A 200 0.419 -12.804 0.222 1.00 1.00 C ATOM 6 CG GLU A 200 0.942 -12.851 1.652 1.00 1.00 C ATOM 7 CD GLU A 200 1.581 -14.180 1.998 1.00 1.00 C ATOM 8 OE1 GLU A 200 2.508 -14.607 1.276 1.00 1.00 O ATOM 9 OE2 GLU A 200 1.142 -14.816 2.974 1.00 1.00 O ATOM 0 HA GLU A 200 -0.850 -14.479 0.654 1.00 1.00 H new ATOM 0 HB2 GLU A 200 1.256 -12.635 -0.455 1.00 1.00 H new ATOM 0 HB3 GLU A 200 -0.252 -11.951 0.119 1.00 1.00 H new ATOM 0 HG2 GLU A 200 1.672 -12.054 1.794 1.00 1.00 H new ATOM 0 HG3 GLU A 200 0.120 -12.657 2.341 1.00 1.00 H new ATOM 16 N ALA A 201 -2.400 -13.055 -0.954 1.00 1.00 N ATOM 17 CA ALA A 201 -3.417 -12.695 -1.929 1.00 1.00 C ATOM 18 C ALA A 201 -3.077 -11.367 -2.585 1.00 1.00 C ATOM 19 O ALA A 201 -3.179 -11.225 -3.803 1.00 1.00 O ATOM 20 CB ALA A 201 -4.783 -12.632 -1.268 1.00 1.00 C ATOM 0 H ALA A 201 -2.588 -12.732 -0.005 1.00 1.00 H new ATOM 0 HA ALA A 201 -3.444 -13.462 -2.703 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -5.534 -12.361 -2.010 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -5.027 -13.606 -0.843 1.00 1.00 H new ATOM 0 HB3 ALA A 201 -4.770 -11.884 -0.476 1.00 1.00 H new ATOM 26 N ARG A 202 -2.664 -10.406 -1.767 1.00 1.00 N ATOM 27 CA ARG A 202 -2.291 -9.078 -2.243 1.00 1.00 C ATOM 28 C ARG A 202 -1.800 -8.241 -1.069 1.00 1.00 C ATOM 29 O ARG A 202 -1.703 -8.744 0.052 1.00 1.00 O ATOM 30 CB ARG A 202 -3.478 -8.387 -2.924 1.00 1.00 C ATOM 31 CG ARG A 202 -3.077 -7.443 -4.047 1.00 1.00 C ATOM 32 CD ARG A 202 -3.245 -8.088 -5.414 1.00 1.00 C ATOM 33 NE ARG A 202 -2.472 -9.321 -5.550 1.00 1.00 N ATOM 34 CZ ARG A 202 -1.436 -9.463 -6.374 1.00 1.00 C ATOM 35 NH1 ARG A 202 -1.010 -8.430 -7.093 1.00 1.00 N ATOM 36 NH2 ARG A 202 -0.819 -10.637 -6.469 1.00 1.00 N ATOM 0 H ARG A 202 -2.578 -10.524 -0.758 1.00 1.00 H new ATOM 0 HA ARG A 202 -1.493 -9.180 -2.979 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -4.149 -9.148 -3.323 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -4.039 -7.828 -2.175 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -3.683 -6.538 -3.995 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -2.039 -7.140 -3.913 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -4.300 -8.304 -5.583 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -2.936 -7.383 -6.185 1.00 1.00 H new ATOM 0 HE ARG A 202 -2.743 -10.121 -4.979 1.00 1.00 H new ATOM 0 HH11 ARG A 202 -1.477 -7.527 -7.014 1.00 1.00 H new ATOM 0 HH12 ARG A 202 -0.216 -8.540 -7.724 1.00 1.00 H new ATOM 0 HH21 ARG A 202 -1.139 -11.428 -5.911 1.00 1.00 H new ATOM 0 HH22 ARG A 202 -0.025 -10.746 -7.100 1.00 1.00 H new ATOM 50 N GLU A 203 -1.489 -6.978 -1.319 1.00 1.00 N ATOM 51 CA GLU A 203 -1.008 -6.092 -0.271 1.00 1.00 C ATOM 52 C GLU A 203 -1.868 -4.835 -0.200 1.00 1.00 C ATOM 53 O GLU A 203 -2.743 -4.628 -1.043 1.00 1.00 O ATOM 54 CB GLU A 203 0.451 -5.704 -0.528 1.00 1.00 C ATOM 55 CG GLU A 203 1.225 -6.721 -1.352 1.00 1.00 C ATOM 56 CD GLU A 203 1.630 -6.185 -2.708 1.00 1.00 C ATOM 57 OE1 GLU A 203 2.727 -5.600 -2.813 1.00 1.00 O ATOM 58 OE2 GLU A 203 0.862 -6.349 -3.677 1.00 1.00 O ATOM 0 H GLU A 203 -1.561 -6.544 -2.239 1.00 1.00 H new ATOM 0 HA GLU A 203 -1.073 -6.621 0.680 1.00 1.00 H new ATOM 0 HB2 GLU A 203 0.476 -4.742 -1.040 1.00 1.00 H new ATOM 0 HB3 GLU A 203 0.954 -5.568 0.429 1.00 1.00 H new ATOM 0 HG2 GLU A 203 2.117 -7.024 -0.804 1.00 1.00 H new ATOM 0 HG3 GLU A 203 0.615 -7.614 -1.486 1.00 1.00 H new ATOM 65 N CYS A 204 -1.610 -4.002 0.804 1.00 1.00 N ATOM 66 CA CYS A 204 -2.344 -2.760 0.988 1.00 1.00 C ATOM 67 C CYS A 204 -1.371 -1.615 1.233 1.00 1.00 C ATOM 68 O CYS A 204 -0.296 -1.814 1.802 1.00 1.00 O ATOM 69 CB CYS A 204 -3.319 -2.878 2.160 1.00 1.00 C ATOM 70 SG CYS A 204 -4.216 -1.339 2.553 1.00 1.00 S ATOM 0 H CYS A 204 -0.891 -4.170 1.507 1.00 1.00 H new ATOM 0 HA CYS A 204 -2.916 -2.558 0.083 1.00 1.00 H new ATOM 0 HB2 CYS A 204 -4.045 -3.660 1.936 1.00 1.00 H new ATOM 0 HB3 CYS A 204 -2.768 -3.199 3.044 1.00 1.00 H new ATOM 75 N VAL A 205 -1.756 -0.418 0.815 1.00 1.00 N ATOM 76 CA VAL A 205 -0.913 0.760 0.986 1.00 1.00 C ATOM 77 C VAL A 205 -1.152 1.416 2.341 1.00 1.00 C ATOM 78 O VAL A 205 -0.520 2.414 2.676 1.00 1.00 O ATOM 79 CB VAL A 205 -1.139 1.814 -0.126 1.00 1.00 C ATOM 80 CG1 VAL A 205 -1.085 1.179 -1.502 1.00 1.00 C ATOM 81 CG2 VAL A 205 -2.457 2.549 0.071 1.00 1.00 C ATOM 0 H VAL A 205 -2.647 -0.235 0.354 1.00 1.00 H new ATOM 0 HA VAL A 205 0.116 0.406 0.923 1.00 1.00 H new ATOM 0 HB VAL A 205 -0.331 2.542 -0.055 1.00 1.00 H new ATOM 0 HG11 VAL A 205 -1.247 1.943 -2.262 1.00 1.00 H new ATOM 0 HG12 VAL A 205 -0.108 0.719 -1.652 1.00 1.00 H new ATOM 0 HG13 VAL A 205 -1.861 0.418 -1.582 1.00 1.00 H new ATOM 0 HG21 VAL A 205 -2.587 3.282 -0.725 1.00 1.00 H new ATOM 0 HG22 VAL A 205 -3.280 1.834 0.044 1.00 1.00 H new ATOM 0 HG23 VAL A 205 -2.449 3.058 1.035 1.00 1.00 H new ATOM 91 N ASN A 206 -2.071 0.875 3.118 1.00 1.00 N ATOM 92 CA ASN A 206 -2.360 1.445 4.428 1.00 1.00 C ATOM 93 C ASN A 206 -2.048 0.460 5.543 1.00 1.00 C ATOM 94 O ASN A 206 -1.677 0.865 6.645 1.00 1.00 O ATOM 95 CB ASN A 206 -3.815 1.901 4.513 1.00 1.00 C ATOM 96 CG ASN A 206 -3.990 3.380 4.200 1.00 1.00 C ATOM 97 OD1 ASN A 206 -3.084 3.937 3.410 1.00 1.00 O flip ATOM 98 ND2 ASN A 206 -4.930 4.021 4.675 1.00 1.00 N flip ATOM 0 H ASN A 206 -2.625 0.054 2.874 1.00 1.00 H new ATOM 0 HA ASN A 206 -1.715 2.314 4.557 1.00 1.00 H new ATOM 0 HB2 ASN A 206 -4.416 1.314 3.818 1.00 1.00 H new ATOM 0 HB3 ASN A 206 -4.196 1.699 5.514 1.00 1.00 H new ATOM 0 HD21 ASN A 206 -5.609 3.558 5.280 1.00 1.00 H new ATOM 0 HD22 ASN A 206 -5.029 5.014 4.463 1.00 1.00 H new ATOM 105 N CYS A 207 -2.192 -0.827 5.260 1.00 1.00 N ATOM 106 CA CYS A 207 -1.914 -1.851 6.253 1.00 1.00 C ATOM 107 C CYS A 207 -1.244 -3.063 5.613 1.00 1.00 C ATOM 108 O CYS A 207 -0.017 -3.178 5.605 1.00 1.00 O ATOM 109 CB CYS A 207 -3.205 -2.268 6.969 1.00 1.00 C ATOM 110 SG CYS A 207 -4.602 -2.653 5.861 1.00 1.00 S ATOM 0 H CYS A 207 -2.498 -1.184 4.355 1.00 1.00 H new ATOM 0 HA CYS A 207 -1.227 -1.433 6.989 1.00 1.00 H new ATOM 0 HB2 CYS A 207 -2.996 -3.143 7.585 1.00 1.00 H new ATOM 0 HB3 CYS A 207 -3.505 -1.467 7.644 1.00 1.00 H new ATOM 115 N GLY A 208 -2.065 -3.945 5.070 1.00 1.00 N ATOM 116 CA GLY A 208 -1.570 -5.147 4.433 1.00 1.00 C ATOM 117 C GLY A 208 -2.332 -6.373 4.889 1.00 1.00 C ATOM 118 O GLY A 208 -1.747 -7.434 5.114 1.00 1.00 O ATOM 0 H GLY A 208 -3.080 -3.848 5.059 1.00 1.00 H new ATOM 0 HA2 GLY A 208 -1.654 -5.047 3.351 1.00 1.00 H new ATOM 0 HA3 GLY A 208 -0.511 -5.270 4.660 1.00 1.00 H new ATOM 122 N ALA A 209 -3.642 -6.225 5.033 1.00 1.00 N ATOM 123 CA ALA A 209 -4.489 -7.321 5.473 1.00 1.00 C ATOM 124 C ALA A 209 -4.829 -8.250 4.311 1.00 1.00 C ATOM 125 O ALA A 209 -5.846 -8.081 3.645 1.00 1.00 O ATOM 126 CB ALA A 209 -5.760 -6.786 6.121 1.00 1.00 C ATOM 0 H ALA A 209 -4.140 -5.354 4.851 1.00 1.00 H new ATOM 0 HA ALA A 209 -3.938 -7.898 6.216 1.00 1.00 H new ATOM 0 HB1 ALA A 209 -6.382 -7.620 6.444 1.00 1.00 H new ATOM 0 HB2 ALA A 209 -5.498 -6.173 6.983 1.00 1.00 H new ATOM 0 HB3 ALA A 209 -6.310 -6.182 5.399 1.00 1.00 H new ATOM 132 N THR A 210 -3.980 -9.244 4.089 1.00 1.00 N ATOM 133 CA THR A 210 -4.181 -10.202 3.007 1.00 1.00 C ATOM 134 C THR A 210 -5.203 -11.279 3.399 1.00 1.00 C ATOM 135 O THR A 210 -5.168 -12.403 2.897 1.00 1.00 O ATOM 136 CB THR A 210 -2.841 -10.865 2.596 1.00 1.00 C ATOM 137 OG1 THR A 210 -3.044 -11.762 1.494 1.00 1.00 O ATOM 138 CG2 THR A 210 -2.223 -11.621 3.768 1.00 1.00 C ATOM 0 H THR A 210 -3.142 -9.410 4.646 1.00 1.00 H new ATOM 0 HA THR A 210 -4.574 -9.651 2.153 1.00 1.00 H new ATOM 0 HB THR A 210 -2.155 -10.074 2.293 1.00 1.00 H new ATOM 0 HG1 THR A 210 -3.837 -12.312 1.662 1.00 1.00 H new ATOM 0 HG21 THR A 210 -1.284 -12.076 3.453 1.00 1.00 H new ATOM 0 HG22 THR A 210 -2.033 -10.929 4.588 1.00 1.00 H new ATOM 0 HG23 THR A 210 -2.910 -12.399 4.102 1.00 1.00 H new ATOM 146 N ALA A 211 -6.126 -10.923 4.282 1.00 1.00 N ATOM 147 CA ALA A 211 -7.143 -11.862 4.736 1.00 1.00 C ATOM 148 C ALA A 211 -8.547 -11.403 4.353 1.00 1.00 C ATOM 149 O ALA A 211 -9.531 -12.067 4.677 1.00 1.00 O ATOM 150 CB ALA A 211 -7.042 -12.056 6.240 1.00 1.00 C ATOM 0 H ALA A 211 -6.192 -9.994 4.697 1.00 1.00 H new ATOM 0 HA ALA A 211 -6.962 -12.815 4.239 1.00 1.00 H new ATOM 0 HB1 ALA A 211 -7.807 -12.760 6.568 1.00 1.00 H new ATOM 0 HB2 ALA A 211 -6.056 -12.448 6.491 1.00 1.00 H new ATOM 0 HB3 ALA A 211 -7.190 -11.099 6.741 1.00 1.00 H new ATOM 156 N THR A 212 -8.637 -10.276 3.658 1.00 1.00 N ATOM 157 CA THR A 212 -9.928 -9.743 3.240 1.00 1.00 C ATOM 158 C THR A 212 -10.551 -10.628 2.157 1.00 1.00 C ATOM 159 O THR A 212 -9.862 -11.101 1.251 1.00 1.00 O ATOM 160 CB THR A 212 -9.800 -8.288 2.726 1.00 1.00 C ATOM 161 OG1 THR A 212 -11.039 -7.844 2.156 1.00 1.00 O ATOM 162 CG2 THR A 212 -8.693 -8.166 1.693 1.00 1.00 C ATOM 0 H THR A 212 -7.835 -9.715 3.373 1.00 1.00 H new ATOM 0 HA THR A 212 -10.580 -9.738 4.114 1.00 1.00 H new ATOM 0 HB THR A 212 -9.551 -7.658 3.580 1.00 1.00 H new ATOM 0 HG1 THR A 212 -10.883 -7.524 1.243 1.00 1.00 H new ATOM 0 HG21 THR A 212 -8.627 -7.133 1.351 1.00 1.00 H new ATOM 0 HG22 THR A 212 -7.744 -8.461 2.140 1.00 1.00 H new ATOM 0 HG23 THR A 212 -8.913 -8.816 0.846 1.00 1.00 H new ATOM 170 N PRO A 213 -11.865 -10.880 2.251 1.00 1.00 N ATOM 171 CA PRO A 213 -12.582 -11.704 1.278 1.00 1.00 C ATOM 172 C PRO A 213 -12.879 -10.949 -0.014 1.00 1.00 C ATOM 173 O PRO A 213 -13.363 -11.531 -0.985 1.00 1.00 O ATOM 174 CB PRO A 213 -13.876 -12.054 2.008 1.00 1.00 C ATOM 175 CG PRO A 213 -14.112 -10.909 2.932 1.00 1.00 C ATOM 176 CD PRO A 213 -12.753 -10.390 3.323 1.00 1.00 C ATOM 0 HA PRO A 213 -12.003 -12.573 0.967 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -14.704 -12.176 1.310 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -13.780 -12.991 2.556 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -14.699 -10.131 2.444 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -14.673 -11.228 3.810 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -12.743 -9.302 3.384 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -12.447 -10.767 4.299 1.00 1.00 H new ATOM 184 N LEU A 214 -12.586 -9.657 -0.020 1.00 1.00 N ATOM 185 CA LEU A 214 -12.822 -8.825 -1.188 1.00 1.00 C ATOM 186 C LEU A 214 -11.850 -7.655 -1.213 1.00 1.00 C ATOM 187 O LEU A 214 -11.920 -6.762 -0.365 1.00 1.00 O ATOM 188 CB LEU A 214 -14.263 -8.305 -1.194 1.00 1.00 C ATOM 189 CG LEU A 214 -14.636 -7.430 -2.394 1.00 1.00 C ATOM 190 CD1 LEU A 214 -14.580 -8.230 -3.689 1.00 1.00 C ATOM 191 CD2 LEU A 214 -16.018 -6.829 -2.198 1.00 1.00 C ATOM 0 H LEU A 214 -12.183 -9.161 0.775 1.00 1.00 H new ATOM 0 HA LEU A 214 -12.664 -9.434 -2.078 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -14.940 -9.158 -1.163 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -14.429 -7.732 -0.282 1.00 1.00 H new ATOM 0 HG LEU A 214 -13.910 -6.620 -2.466 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -14.849 -7.586 -4.526 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -13.571 -8.614 -3.836 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -15.280 -9.063 -3.632 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -16.271 -6.209 -3.058 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -16.752 -7.629 -2.099 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -16.024 -6.217 -1.296 1.00 1.00 H new ATOM 203 N TRP A 215 -10.940 -7.672 -2.175 1.00 1.00 N ATOM 204 CA TRP A 215 -9.955 -6.610 -2.319 1.00 1.00 C ATOM 205 C TRP A 215 -10.599 -5.382 -2.946 1.00 1.00 C ATOM 206 O TRP A 215 -11.271 -5.477 -3.975 1.00 1.00 O ATOM 207 CB TRP A 215 -8.772 -7.092 -3.161 1.00 1.00 C ATOM 208 CG TRP A 215 -7.962 -8.138 -2.469 1.00 1.00 C ATOM 209 CD1 TRP A 215 -8.052 -9.492 -2.630 1.00 1.00 C ATOM 210 CD2 TRP A 215 -6.946 -7.918 -1.488 1.00 1.00 C ATOM 211 NE1 TRP A 215 -7.154 -10.124 -1.807 1.00 1.00 N ATOM 212 CE2 TRP A 215 -6.465 -9.177 -1.096 1.00 1.00 C ATOM 213 CE3 TRP A 215 -6.401 -6.772 -0.903 1.00 1.00 C ATOM 214 CZ2 TRP A 215 -5.460 -9.326 -0.146 1.00 1.00 C ATOM 215 CZ3 TRP A 215 -5.402 -6.921 0.040 1.00 1.00 C ATOM 216 CH2 TRP A 215 -4.944 -8.189 0.409 1.00 1.00 C ATOM 0 H TRP A 215 -10.863 -8.414 -2.871 1.00 1.00 H new ATOM 0 HA TRP A 215 -9.581 -6.338 -1.332 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -9.142 -7.490 -4.106 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -8.132 -6.243 -3.402 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -8.730 -9.991 -3.306 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -7.021 -11.133 -1.736 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -6.753 -5.790 -1.182 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -5.101 -10.303 0.142 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -4.969 -6.045 0.499 1.00 1.00 H new ATOM 0 HH2 TRP A 215 -4.163 -8.272 1.151 1.00 1.00 H new ATOM 227 N ARG A 216 -10.389 -4.232 -2.327 1.00 1.00 N ATOM 228 CA ARG A 216 -10.977 -2.995 -2.811 1.00 1.00 C ATOM 229 C ARG A 216 -9.948 -2.117 -3.516 1.00 1.00 C ATOM 230 O ARG A 216 -9.334 -1.246 -2.905 1.00 1.00 O ATOM 231 CB ARG A 216 -11.624 -2.233 -1.648 1.00 1.00 C ATOM 232 CG ARG A 216 -12.387 -0.981 -2.062 1.00 1.00 C ATOM 233 CD ARG A 216 -13.478 -1.288 -3.071 1.00 1.00 C ATOM 234 NE ARG A 216 -13.007 -1.143 -4.448 1.00 1.00 N ATOM 235 CZ ARG A 216 -13.582 -1.728 -5.494 1.00 1.00 C ATOM 236 NH1 ARG A 216 -14.641 -2.508 -5.327 1.00 1.00 N ATOM 237 NH2 ARG A 216 -13.095 -1.531 -6.711 1.00 1.00 N ATOM 0 H ARG A 216 -9.816 -4.130 -1.489 1.00 1.00 H new ATOM 0 HA ARG A 216 -11.742 -3.252 -3.543 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -12.306 -2.903 -1.126 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -10.847 -1.952 -0.937 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -12.829 -0.517 -1.180 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -11.692 -0.257 -2.488 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -13.839 -2.305 -2.916 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -14.324 -0.621 -2.905 1.00 1.00 H new ATOM 0 HE ARG A 216 -12.188 -0.558 -4.616 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -15.019 -2.662 -4.392 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -15.078 -2.954 -6.133 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -12.281 -0.931 -6.843 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -13.535 -1.979 -7.515 1.00 1.00 H new ATOM 251 N ARG A 217 -9.763 -2.359 -4.808 1.00 1.00 N ATOM 252 CA ARG A 217 -8.836 -1.563 -5.602 1.00 1.00 C ATOM 253 C ARG A 217 -9.509 -0.249 -5.982 1.00 1.00 C ATOM 254 O ARG A 217 -10.736 -0.192 -6.107 1.00 1.00 O ATOM 255 CB ARG A 217 -8.394 -2.324 -6.854 1.00 1.00 C ATOM 256 CG ARG A 217 -7.419 -3.454 -6.558 1.00 1.00 C ATOM 257 CD ARG A 217 -7.077 -4.244 -7.811 1.00 1.00 C ATOM 258 NE ARG A 217 -6.299 -3.462 -8.773 1.00 1.00 N ATOM 259 CZ ARG A 217 -5.188 -3.905 -9.368 1.00 1.00 C ATOM 260 NH1 ARG A 217 -4.713 -5.115 -9.089 1.00 1.00 N ATOM 261 NH2 ARG A 217 -4.555 -3.142 -10.252 1.00 1.00 N ATOM 0 H ARG A 217 -10.240 -3.097 -5.326 1.00 1.00 H new ATOM 0 HA ARG A 217 -7.944 -1.358 -5.011 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -9.273 -2.733 -7.352 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -7.930 -1.626 -7.550 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -6.506 -3.043 -6.126 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -7.851 -4.122 -5.813 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -6.514 -5.135 -7.532 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -7.998 -4.584 -8.285 1.00 1.00 H new ATOM 0 HE ARG A 217 -6.624 -2.523 -9.003 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -5.197 -5.711 -8.417 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -3.864 -5.448 -9.547 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -4.917 -2.216 -10.478 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -3.707 -3.483 -10.705 1.00 1.00 H new ATOM 275 N ASP A 218 -8.723 0.798 -6.165 1.00 1.00 N ATOM 276 CA ASP A 218 -9.271 2.108 -6.494 1.00 1.00 C ATOM 277 C ASP A 218 -8.995 2.505 -7.947 1.00 1.00 C ATOM 278 O ASP A 218 -8.679 1.662 -8.786 1.00 1.00 O ATOM 279 CB ASP A 218 -8.706 3.161 -5.537 1.00 1.00 C ATOM 280 CG ASP A 218 -7.300 3.589 -5.897 1.00 1.00 C ATOM 281 OD1 ASP A 218 -6.463 2.723 -6.221 1.00 1.00 O ATOM 282 OD2 ASP A 218 -7.028 4.805 -5.865 1.00 1.00 O ATOM 0 H ASP A 218 -7.706 0.770 -6.092 1.00 1.00 H new ATOM 0 HA ASP A 218 -10.353 2.051 -6.379 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -9.358 4.034 -5.540 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -8.711 2.763 -4.522 1.00 1.00 H new ATOM 287 N ARG A 219 -9.123 3.800 -8.231 1.00 1.00 N ATOM 288 CA ARG A 219 -8.914 4.327 -9.573 1.00 1.00 C ATOM 289 C ARG A 219 -7.432 4.552 -9.885 1.00 1.00 C ATOM 290 O ARG A 219 -7.027 4.505 -11.046 1.00 1.00 O ATOM 291 CB ARG A 219 -9.690 5.636 -9.745 1.00 1.00 C ATOM 292 CG ARG A 219 -9.637 6.203 -11.154 1.00 1.00 C ATOM 293 CD ARG A 219 -10.107 5.190 -12.188 1.00 1.00 C ATOM 294 NE ARG A 219 -9.515 5.440 -13.499 1.00 1.00 N ATOM 295 CZ ARG A 219 -9.017 4.488 -14.290 1.00 1.00 C ATOM 296 NH1 ARG A 219 -9.049 3.218 -13.913 1.00 1.00 N ATOM 297 NH2 ARG A 219 -8.486 4.818 -15.458 1.00 1.00 N ATOM 0 H ARG A 219 -9.373 4.507 -7.540 1.00 1.00 H new ATOM 0 HA ARG A 219 -9.284 3.582 -10.277 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -10.731 5.468 -9.470 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -9.293 6.376 -9.051 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -10.260 7.096 -11.210 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -8.617 6.511 -11.384 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -9.846 4.185 -11.857 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -11.194 5.228 -12.266 1.00 1.00 H new ATOM 0 HE ARG A 219 -9.480 6.404 -13.831 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -9.456 2.963 -13.013 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -8.666 2.495 -14.523 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -8.459 5.795 -15.748 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -8.104 4.095 -16.067 1.00 1.00 H new ATOM 311 N THR A 220 -6.621 4.785 -8.859 1.00 1.00 N ATOM 312 CA THR A 220 -5.194 5.015 -9.072 1.00 1.00 C ATOM 313 C THR A 220 -4.465 3.699 -9.327 1.00 1.00 C ATOM 314 O THR A 220 -3.265 3.683 -9.610 1.00 1.00 O ATOM 315 CB THR A 220 -4.537 5.745 -7.878 1.00 1.00 C ATOM 316 OG1 THR A 220 -4.582 4.927 -6.702 1.00 1.00 O ATOM 317 CG2 THR A 220 -5.229 7.072 -7.603 1.00 1.00 C ATOM 0 H THR A 220 -6.920 4.820 -7.884 1.00 1.00 H new ATOM 0 HA THR A 220 -5.108 5.655 -9.950 1.00 1.00 H new ATOM 0 HB THR A 220 -3.497 5.940 -8.139 1.00 1.00 H new ATOM 0 HG1 THR A 220 -5.400 5.122 -6.199 1.00 1.00 H new ATOM 0 HG21 THR A 220 -4.748 7.565 -6.759 1.00 1.00 H new ATOM 0 HG22 THR A 220 -5.157 7.709 -8.484 1.00 1.00 H new ATOM 0 HG23 THR A 220 -6.278 6.893 -7.369 1.00 1.00 H new ATOM 325 N GLY A 221 -5.201 2.598 -9.234 1.00 1.00 N ATOM 326 CA GLY A 221 -4.612 1.295 -9.451 1.00 1.00 C ATOM 327 C GLY A 221 -3.781 0.861 -8.265 1.00 1.00 C ATOM 328 O GLY A 221 -2.807 0.118 -8.408 1.00 1.00 O ATOM 0 H GLY A 221 -6.196 2.587 -9.012 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -5.400 0.564 -9.633 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -3.988 1.320 -10.345 1.00 1.00 H new ATOM 332 N HIS A 222 -4.170 1.337 -7.093 1.00 1.00 N ATOM 333 CA HIS A 222 -3.468 1.017 -5.865 1.00 1.00 C ATOM 334 C HIS A 222 -4.021 -0.248 -5.236 1.00 1.00 C ATOM 335 O HIS A 222 -5.215 -0.535 -5.330 1.00 1.00 O ATOM 336 CB HIS A 222 -3.587 2.170 -4.871 1.00 1.00 C ATOM 337 CG HIS A 222 -2.372 3.039 -4.806 1.00 1.00 C ATOM 338 ND1 HIS A 222 -1.983 3.699 -3.664 1.00 1.00 N ATOM 339 CD2 HIS A 222 -1.456 3.352 -5.750 1.00 1.00 C ATOM 340 CE1 HIS A 222 -0.881 4.379 -3.908 1.00 1.00 C ATOM 341 NE2 HIS A 222 -0.537 4.190 -5.166 1.00 1.00 N ATOM 0 H HIS A 222 -4.975 1.951 -6.968 1.00 1.00 H new ATOM 0 HA HIS A 222 -2.419 0.856 -6.113 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -4.447 2.783 -5.141 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -3.785 1.763 -3.879 1.00 1.00 H new ATOM 0 HD2 HIS A 222 -1.448 3.007 -6.773 1.00 1.00 H new ATOM 0 HE1 HIS A 222 -0.348 4.990 -3.195 1.00 1.00 H new ATOM 0 HE2 HIS A 222 0.276 4.598 -5.629 1.00 1.00 H new ATOM 350 N TYR A 223 -3.141 -1.005 -4.610 1.00 1.00 N ATOM 351 CA TYR A 223 -3.534 -2.226 -3.937 1.00 1.00 C ATOM 352 C TYR A 223 -4.020 -1.876 -2.537 1.00 1.00 C ATOM 353 O TYR A 223 -3.279 -1.299 -1.740 1.00 1.00 O ATOM 354 CB TYR A 223 -2.362 -3.207 -3.879 1.00 1.00 C ATOM 355 CG TYR A 223 -1.817 -3.578 -5.242 1.00 1.00 C ATOM 356 CD1 TYR A 223 -2.376 -4.614 -5.975 1.00 1.00 C ATOM 357 CD2 TYR A 223 -0.743 -2.887 -5.794 1.00 1.00 C ATOM 358 CE1 TYR A 223 -1.885 -4.955 -7.220 1.00 1.00 C ATOM 359 CE2 TYR A 223 -0.245 -3.222 -7.039 1.00 1.00 C ATOM 360 CZ TYR A 223 -0.819 -4.257 -7.749 1.00 1.00 C ATOM 361 OH TYR A 223 -0.331 -4.596 -8.992 1.00 1.00 O ATOM 0 H TYR A 223 -2.145 -0.794 -4.554 1.00 1.00 H new ATOM 0 HA TYR A 223 -4.340 -2.710 -4.489 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -1.561 -2.769 -3.283 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -2.682 -4.114 -3.365 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -3.210 -5.164 -5.565 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -0.292 -2.076 -5.241 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -2.333 -5.764 -7.777 1.00 1.00 H new ATOM 0 HE2 TYR A 223 0.589 -2.676 -7.454 1.00 1.00 H new ATOM 0 HH TYR A 223 0.419 -4.008 -9.220 1.00 1.00 H new ATOM 371 N LEU A 224 -5.275 -2.188 -2.259 1.00 1.00 N ATOM 372 CA LEU A 224 -5.871 -1.887 -0.970 1.00 1.00 C ATOM 373 C LEU A 224 -6.700 -3.059 -0.479 1.00 1.00 C ATOM 374 O LEU A 224 -7.313 -3.771 -1.280 1.00 1.00 O ATOM 375 CB LEU A 224 -6.751 -0.642 -1.084 1.00 1.00 C ATOM 376 CG LEU A 224 -6.040 0.611 -1.598 1.00 1.00 C ATOM 377 CD1 LEU A 224 -6.992 1.474 -2.407 1.00 1.00 C ATOM 378 CD2 LEU A 224 -5.467 1.403 -0.437 1.00 1.00 C ATOM 0 H LEU A 224 -5.904 -2.653 -2.914 1.00 1.00 H new ATOM 0 HA LEU A 224 -5.072 -1.701 -0.252 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -7.585 -0.866 -1.749 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -7.174 -0.424 -0.103 1.00 1.00 H new ATOM 0 HG LEU A 224 -5.222 0.301 -2.248 1.00 1.00 H new ATOM 0 HD11 LEU A 224 -6.466 2.360 -2.763 1.00 1.00 H new ATOM 0 HD12 LEU A 224 -7.364 0.905 -3.259 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -7.830 1.777 -1.780 1.00 1.00 H new ATOM 0 HD21 LEU A 224 -4.964 2.292 -0.816 1.00 1.00 H new ATOM 0 HD22 LEU A 224 -6.273 1.701 0.233 1.00 1.00 H new ATOM 0 HD23 LEU A 224 -4.752 0.786 0.107 1.00 1.00 H new ATOM 390 N CYS A 225 -6.712 -3.248 0.833 1.00 1.00 N ATOM 391 CA CYS A 225 -7.458 -4.329 1.457 1.00 1.00 C ATOM 392 C CYS A 225 -8.955 -4.203 1.173 1.00 1.00 C ATOM 393 O CYS A 225 -9.505 -4.897 0.316 1.00 1.00 O ATOM 394 CB CYS A 225 -7.211 -4.307 2.964 1.00 1.00 C ATOM 395 SG CYS A 225 -7.345 -2.643 3.699 1.00 1.00 S ATOM 0 H CYS A 225 -6.206 -2.657 1.493 1.00 1.00 H new ATOM 0 HA CYS A 225 -7.115 -5.275 1.038 1.00 1.00 H new ATOM 0 HB2 CYS A 225 -7.927 -4.969 3.451 1.00 1.00 H new ATOM 0 HB3 CYS A 225 -6.217 -4.706 3.167 1.00 1.00 H new ATOM 400 N ASN A 226 -9.601 -3.306 1.900 1.00 1.00 N ATOM 401 CA ASN A 226 -11.029 -3.069 1.747 1.00 1.00 C ATOM 402 C ASN A 226 -11.422 -1.736 2.371 1.00 1.00 C ATOM 403 O ASN A 226 -11.933 -0.845 1.688 1.00 1.00 O ATOM 404 CB ASN A 226 -11.835 -4.199 2.393 1.00 1.00 C ATOM 405 CG ASN A 226 -13.303 -4.153 2.014 1.00 1.00 C ATOM 406 OD1 ASN A 226 -14.099 -3.457 2.645 1.00 1.00 O ATOM 407 ND2 ASN A 226 -13.674 -4.900 0.986 1.00 1.00 N ATOM 0 H ASN A 226 -9.155 -2.724 2.609 1.00 1.00 H new ATOM 0 HA ASN A 226 -11.253 -3.040 0.681 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -11.415 -5.159 2.092 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -11.740 -4.135 3.477 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -14.650 -4.913 0.691 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -12.984 -5.463 0.489 1.00 1.00 H new ATOM 414 N ALA A 227 -11.157 -1.596 3.667 1.00 1.00 N ATOM 415 CA ALA A 227 -11.484 -0.378 4.397 1.00 1.00 C ATOM 416 C ALA A 227 -10.717 0.810 3.832 1.00 1.00 C ATOM 417 O ALA A 227 -11.275 1.890 3.627 1.00 1.00 O ATOM 418 CB ALA A 227 -11.178 -0.546 5.878 1.00 1.00 C ATOM 0 H ALA A 227 -10.713 -2.318 4.235 1.00 1.00 H new ATOM 0 HA ALA A 227 -12.551 -0.187 4.281 1.00 1.00 H new ATOM 0 HB1 ALA A 227 -11.428 0.373 6.408 1.00 1.00 H new ATOM 0 HB2 ALA A 227 -11.769 -1.369 6.280 1.00 1.00 H new ATOM 0 HB3 ALA A 227 -10.118 -0.763 6.008 1.00 1.00 H new ATOM 424 N CYS A 228 -9.432 0.604 3.579 1.00 1.00 N ATOM 425 CA CYS A 228 -8.584 1.644 3.027 1.00 1.00 C ATOM 426 C CYS A 228 -8.931 1.895 1.562 1.00 1.00 C ATOM 427 O CYS A 228 -8.709 2.985 1.030 1.00 1.00 O ATOM 428 CB CYS A 228 -7.131 1.235 3.196 1.00 1.00 C ATOM 429 SG CYS A 228 -6.790 0.550 4.850 1.00 1.00 S ATOM 0 H CYS A 228 -8.954 -0.281 3.750 1.00 1.00 H new ATOM 0 HA CYS A 228 -8.749 2.580 3.560 1.00 1.00 H new ATOM 0 HB2 CYS A 228 -6.875 0.494 2.439 1.00 1.00 H new ATOM 0 HB3 CYS A 228 -6.491 2.100 3.025 1.00 1.00 H new ATOM 434 N GLY A 229 -9.497 0.881 0.925 1.00 1.00 N ATOM 435 CA GLY A 229 -9.906 1.011 -0.455 1.00 1.00 C ATOM 436 C GLY A 229 -11.054 1.985 -0.578 1.00 1.00 C ATOM 437 O GLY A 229 -11.125 2.771 -1.521 1.00 1.00 O ATOM 0 H GLY A 229 -9.680 -0.032 1.342 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -9.065 1.353 -1.059 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -10.204 0.038 -0.845 1.00 1.00 H new ATOM 441 N LEU A 230 -11.947 1.938 0.403 1.00 1.00 N ATOM 442 CA LEU A 230 -13.098 2.827 0.444 1.00 1.00 C ATOM 443 C LEU A 230 -12.647 4.247 0.771 1.00 1.00 C ATOM 444 O LEU A 230 -13.252 5.219 0.329 1.00 1.00 O ATOM 445 CB LEU A 230 -14.113 2.342 1.483 1.00 1.00 C ATOM 446 CG LEU A 230 -14.742 0.979 1.193 1.00 1.00 C ATOM 447 CD1 LEU A 230 -15.564 0.509 2.382 1.00 1.00 C ATOM 448 CD2 LEU A 230 -15.605 1.049 -0.058 1.00 1.00 C ATOM 0 H LEU A 230 -11.894 1.287 1.186 1.00 1.00 H new ATOM 0 HA LEU A 230 -13.578 2.823 -0.535 1.00 1.00 H new ATOM 0 HB2 LEU A 230 -13.621 2.298 2.455 1.00 1.00 H new ATOM 0 HB3 LEU A 230 -14.909 3.082 1.562 1.00 1.00 H new ATOM 0 HG LEU A 230 -13.943 0.258 1.021 1.00 1.00 H new ATOM 0 HD11 LEU A 230 -16.005 -0.463 2.158 1.00 1.00 H new ATOM 0 HD12 LEU A 230 -14.921 0.423 3.258 1.00 1.00 H new ATOM 0 HD13 LEU A 230 -16.357 1.229 2.584 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -16.046 0.071 -0.251 1.00 1.00 H new ATOM 0 HD22 LEU A 230 -16.398 1.782 0.088 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -14.990 1.344 -0.908 1.00 1.00 H new ATOM 460 N TYR A 231 -11.564 4.348 1.533 1.00 1.00 N ATOM 461 CA TYR A 231 -10.995 5.636 1.921 1.00 1.00 C ATOM 462 C TYR A 231 -10.527 6.391 0.677 1.00 1.00 C ATOM 463 O TYR A 231 -10.608 7.623 0.601 1.00 1.00 O ATOM 464 CB TYR A 231 -9.819 5.400 2.877 1.00 1.00 C ATOM 465 CG TYR A 231 -9.284 6.641 3.550 1.00 1.00 C ATOM 466 CD1 TYR A 231 -10.098 7.427 4.353 1.00 1.00 C ATOM 467 CD2 TYR A 231 -7.953 7.014 3.401 1.00 1.00 C ATOM 468 CE1 TYR A 231 -9.605 8.551 4.987 1.00 1.00 C ATOM 469 CE2 TYR A 231 -7.453 8.139 4.030 1.00 1.00 C ATOM 470 CZ TYR A 231 -8.283 8.903 4.823 1.00 1.00 C ATOM 471 OH TYR A 231 -7.788 10.021 5.456 1.00 1.00 O ATOM 0 H TYR A 231 -11.056 3.543 1.899 1.00 1.00 H new ATOM 0 HA TYR A 231 -11.752 6.236 2.426 1.00 1.00 H new ATOM 0 HB2 TYR A 231 -10.132 4.694 3.646 1.00 1.00 H new ATOM 0 HB3 TYR A 231 -9.008 4.928 2.322 1.00 1.00 H new ATOM 0 HD1 TYR A 231 -11.135 7.155 4.485 1.00 1.00 H new ATOM 0 HD2 TYR A 231 -7.299 6.415 2.784 1.00 1.00 H new ATOM 0 HE1 TYR A 231 -10.253 9.151 5.609 1.00 1.00 H new ATOM 0 HE2 TYR A 231 -6.418 8.418 3.901 1.00 1.00 H new ATOM 0 HH TYR A 231 -7.534 10.690 4.787 1.00 1.00 H new ATOM 481 N HIS A 232 -10.062 5.624 -0.304 1.00 1.00 N ATOM 482 CA HIS A 232 -9.579 6.172 -1.566 1.00 1.00 C ATOM 483 C HIS A 232 -10.731 6.708 -2.410 1.00 1.00 C ATOM 484 O HIS A 232 -10.531 7.561 -3.272 1.00 1.00 O ATOM 485 CB HIS A 232 -8.835 5.097 -2.363 1.00 1.00 C ATOM 486 CG HIS A 232 -7.348 5.147 -2.215 1.00 1.00 C ATOM 487 ND1 HIS A 232 -6.492 5.225 -3.287 1.00 1.00 N ATOM 488 CD2 HIS A 232 -6.565 5.118 -1.113 1.00 1.00 C ATOM 489 CE1 HIS A 232 -5.251 5.244 -2.854 1.00 1.00 C ATOM 490 NE2 HIS A 232 -5.263 5.180 -1.536 1.00 1.00 N ATOM 0 H HIS A 232 -10.010 4.607 -0.247 1.00 1.00 H new ATOM 0 HA HIS A 232 -8.901 6.992 -1.331 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -9.188 4.116 -2.046 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -9.088 5.202 -3.418 1.00 1.00 H new ATOM 0 HD1 HIS A 232 -6.775 5.262 -4.266 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -6.903 5.057 -0.089 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -4.368 5.302 -3.474 1.00 1.00 H new ATOM 499 N LYS A 233 -11.934 6.209 -2.153 1.00 1.00 N ATOM 500 CA LYS A 233 -13.112 6.623 -2.906 1.00 1.00 C ATOM 501 C LYS A 233 -13.924 7.675 -2.148 1.00 1.00 C ATOM 502 O LYS A 233 -14.393 8.649 -2.733 1.00 1.00 O ATOM 503 CB LYS A 233 -13.997 5.406 -3.203 1.00 1.00 C ATOM 504 CG LYS A 233 -15.219 5.732 -4.044 1.00 1.00 C ATOM 505 CD LYS A 233 -16.386 4.818 -3.704 1.00 1.00 C ATOM 506 CE LYS A 233 -17.638 5.210 -4.467 1.00 1.00 C ATOM 507 NZ LYS A 233 -18.848 4.522 -3.945 1.00 1.00 N ATOM 0 H LYS A 233 -12.120 5.516 -1.428 1.00 1.00 H new ATOM 0 HA LYS A 233 -12.770 7.068 -3.840 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -13.402 4.652 -3.719 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -14.322 4.965 -2.261 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -15.508 6.770 -3.881 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -14.972 5.632 -5.101 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -16.123 3.787 -3.939 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -16.583 4.860 -2.633 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -17.779 6.289 -4.403 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -17.510 4.968 -5.522 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -19.680 4.818 -4.494 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -18.726 3.493 -4.030 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -18.986 4.773 -2.945 1.00 1.00 H new ATOM 521 N MET A 234 -14.088 7.468 -0.846 1.00 1.00 N ATOM 522 CA MET A 234 -14.864 8.382 -0.014 1.00 1.00 C ATOM 523 C MET A 234 -14.244 9.772 0.029 1.00 1.00 C ATOM 524 O MET A 234 -14.876 10.750 -0.366 1.00 1.00 O ATOM 525 CB MET A 234 -14.998 7.833 1.406 1.00 1.00 C ATOM 526 CG MET A 234 -15.964 8.623 2.277 1.00 1.00 C ATOM 527 SD MET A 234 -17.674 8.465 1.731 1.00 1.00 S ATOM 528 CE MET A 234 -18.497 9.573 2.870 1.00 1.00 C ATOM 0 H MET A 234 -13.693 6.674 -0.342 1.00 1.00 H new ATOM 0 HA MET A 234 -15.853 8.466 -0.464 1.00 1.00 H new ATOM 0 HB2 MET A 234 -15.332 6.797 1.356 1.00 1.00 H new ATOM 0 HB3 MET A 234 -14.016 7.829 1.879 1.00 1.00 H new ATOM 0 HG2 MET A 234 -15.882 8.279 3.308 1.00 1.00 H new ATOM 0 HG3 MET A 234 -15.679 9.675 2.268 1.00 1.00 H new ATOM 0 HE1 MET A 234 -19.566 9.584 2.658 1.00 1.00 H new ATOM 0 HE2 MET A 234 -18.333 9.232 3.892 1.00 1.00 H new ATOM 0 HE3 MET A 234 -18.094 10.579 2.754 1.00 1.00 H new ATOM 538 N ASN A 235 -13.010 9.863 0.513 1.00 1.00 N ATOM 539 CA ASN A 235 -12.342 11.152 0.603 1.00 1.00 C ATOM 540 C ASN A 235 -11.541 11.428 -0.660 1.00 1.00 C ATOM 541 O ASN A 235 -11.381 12.577 -1.070 1.00 1.00 O ATOM 542 CB ASN A 235 -11.436 11.217 1.831 1.00 1.00 C ATOM 543 CG ASN A 235 -11.368 12.618 2.406 1.00 1.00 C ATOM 544 OD1 ASN A 235 -12.306 13.403 2.265 1.00 1.00 O ATOM 545 ND2 ASN A 235 -10.272 12.944 3.070 1.00 1.00 N ATOM 0 H ASN A 235 -12.460 9.070 0.844 1.00 1.00 H new ATOM 0 HA ASN A 235 -13.108 11.920 0.706 1.00 1.00 H new ATOM 0 HB2 ASN A 235 -11.805 10.529 2.592 1.00 1.00 H new ATOM 0 HB3 ASN A 235 -10.433 10.886 1.561 1.00 1.00 H new ATOM 0 HD21 ASN A 235 -10.184 13.872 3.485 1.00 1.00 H new ATOM 0 HD22 ASN A 235 -9.514 12.268 3.167 1.00 1.00 H new ATOM 552 N GLY A 236 -11.045 10.365 -1.278 1.00 1.00 N ATOM 553 CA GLY A 236 -10.279 10.513 -2.500 1.00 1.00 C ATOM 554 C GLY A 236 -8.796 10.698 -2.252 1.00 1.00 C ATOM 555 O GLY A 236 -8.064 11.144 -3.138 1.00 1.00 O ATOM 0 H GLY A 236 -11.159 9.404 -0.956 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -10.430 9.633 -3.125 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -10.658 11.369 -3.058 1.00 1.00 H new ATOM 559 N GLN A 237 -8.347 10.357 -1.051 1.00 1.00 N ATOM 560 CA GLN A 237 -6.938 10.488 -0.699 1.00 1.00 C ATOM 561 C GLN A 237 -6.156 9.265 -1.155 1.00 1.00 C ATOM 562 O GLN A 237 -6.741 8.222 -1.459 1.00 1.00 O ATOM 563 CB GLN A 237 -6.767 10.674 0.809 1.00 1.00 C ATOM 564 CG GLN A 237 -7.148 12.057 1.300 1.00 1.00 C ATOM 565 CD GLN A 237 -6.920 12.222 2.788 1.00 1.00 C ATOM 566 OE1 GLN A 237 -7.794 11.905 3.593 1.00 1.00 O ATOM 567 NE2 GLN A 237 -5.752 12.715 3.163 1.00 1.00 N ATOM 0 H GLN A 237 -8.937 9.988 -0.305 1.00 1.00 H new ATOM 0 HA GLN A 237 -6.549 11.370 -1.208 1.00 1.00 H new ATOM 0 HB2 GLN A 237 -7.375 9.933 1.329 1.00 1.00 H new ATOM 0 HB3 GLN A 237 -5.728 10.477 1.075 1.00 1.00 H new ATOM 0 HG2 GLN A 237 -6.566 12.805 0.761 1.00 1.00 H new ATOM 0 HG3 GLN A 237 -8.197 12.245 1.073 1.00 1.00 H new ATOM 0 HE21 GLN A 237 -5.055 12.965 2.461 1.00 1.00 H new ATOM 0 HE22 GLN A 237 -5.548 12.845 4.154 1.00 1.00 H new ATOM 576 N ASN A 238 -4.841 9.402 -1.196 1.00 1.00 N ATOM 577 CA ASN A 238 -3.965 8.317 -1.609 1.00 1.00 C ATOM 578 C ASN A 238 -3.461 7.575 -0.382 1.00 1.00 C ATOM 579 O ASN A 238 -3.302 8.228 0.665 1.00 1.00 O ATOM 580 CB ASN A 238 -2.784 8.856 -2.418 1.00 1.00 C ATOM 581 CG ASN A 238 -2.044 7.763 -3.164 1.00 1.00 C ATOM 582 OD1 ASN A 238 -2.639 6.781 -3.606 1.00 1.00 O ATOM 583 ND2 ASN A 238 -0.737 7.928 -3.315 1.00 1.00 N ATOM 0 H ASN A 238 -4.353 10.262 -0.946 1.00 1.00 H new ATOM 0 HA ASN A 238 -4.529 7.631 -2.241 1.00 1.00 H new ATOM 0 HB2 ASN A 238 -3.144 9.598 -3.131 1.00 1.00 H new ATOM 0 HB3 ASN A 238 -2.092 9.367 -1.748 1.00 1.00 H new ATOM 0 HD21 ASN A 238 -0.189 7.227 -3.812 1.00 1.00 H new ATOM 0 HD22 ASN A 238 -0.280 8.756 -2.934 1.00 1.00 H new TER 590 ASN A 238 ATOM 591 N GLY B 1 19.188 -1.634 -8.981 1.00 1.00 N ATOM 592 CA GLY B 1 19.321 -0.939 -7.678 1.00 1.00 C ATOM 593 C GLY B 1 20.592 -0.119 -7.599 1.00 1.00 C ATOM 594 O GLY B 1 20.722 0.890 -8.294 1.00 1.00 O ATOM 0 H1 GLY B 1 18.305 -2.183 -8.993 1.00 1.00 H new ATOM 0 H2 GLY B 1 19.170 -0.932 -9.748 1.00 1.00 H new ATOM 0 H3 GLY B 1 19.996 -2.274 -9.117 1.00 1.00 H new ATOM 0 HA2 GLY B 1 18.460 -0.289 -7.525 1.00 1.00 H new ATOM 0 HA3 GLY B 1 19.313 -1.674 -6.873 1.00 1.00 H new ATOM 600 N SER B 2 21.525 -0.560 -6.751 1.00 1.00 N ATOM 601 CA SER B 2 22.817 0.111 -6.561 1.00 1.00 C ATOM 602 C SER B 2 22.651 1.493 -5.913 1.00 1.00 C ATOM 603 O SER B 2 22.891 1.657 -4.716 1.00 1.00 O ATOM 604 CB SER B 2 23.569 0.218 -7.896 1.00 1.00 C ATOM 605 OG SER B 2 23.612 -1.039 -8.561 1.00 1.00 O ATOM 0 H SER B 2 21.407 -1.394 -6.175 1.00 1.00 H new ATOM 0 HA SER B 2 23.409 -0.497 -5.877 1.00 1.00 H new ATOM 0 HB2 SER B 2 23.080 0.954 -8.534 1.00 1.00 H new ATOM 0 HB3 SER B 2 24.584 0.574 -7.718 1.00 1.00 H new ATOM 0 HG SER B 2 24.094 -0.944 -9.409 1.00 1.00 H new ATOM 611 N LEU B 3 22.229 2.471 -6.703 1.00 1.00 N ATOM 612 CA LEU B 3 22.030 3.829 -6.219 1.00 1.00 C ATOM 613 C LEU B 3 20.940 4.511 -7.031 1.00 1.00 C ATOM 614 O LEU B 3 20.849 4.296 -8.241 1.00 1.00 O ATOM 615 CB LEU B 3 23.329 4.643 -6.303 1.00 1.00 C ATOM 616 CG LEU B 3 24.229 4.570 -5.067 1.00 1.00 C ATOM 617 CD1 LEU B 3 25.453 5.454 -5.248 1.00 1.00 C ATOM 618 CD2 LEU B 3 23.454 4.969 -3.818 1.00 1.00 C ATOM 0 H LEU B 3 22.016 2.346 -7.693 1.00 1.00 H new ATOM 0 HA LEU B 3 21.728 3.777 -5.173 1.00 1.00 H new ATOM 0 HB2 LEU B 3 23.898 4.300 -7.167 1.00 1.00 H new ATOM 0 HB3 LEU B 3 23.073 5.687 -6.484 1.00 1.00 H new ATOM 0 HG LEU B 3 24.566 3.541 -4.944 1.00 1.00 H new ATOM 0 HD11 LEU B 3 26.082 5.390 -4.360 1.00 1.00 H new ATOM 0 HD12 LEU B 3 26.018 5.119 -6.118 1.00 1.00 H new ATOM 0 HD13 LEU B 3 25.137 6.487 -5.396 1.00 1.00 H new ATOM 0 HD21 LEU B 3 24.110 4.911 -2.949 1.00 1.00 H new ATOM 0 HD22 LEU B 3 23.087 5.989 -3.928 1.00 1.00 H new ATOM 0 HD23 LEU B 3 22.610 4.292 -3.682 1.00 1.00 H new ATOM 630 N LEU B 4 20.102 5.292 -6.348 1.00 1.00 N ATOM 631 CA LEU B 4 18.995 6.034 -6.969 1.00 1.00 C ATOM 632 C LEU B 4 17.847 5.108 -7.365 1.00 1.00 C ATOM 633 O LEU B 4 16.680 5.441 -7.168 1.00 1.00 O ATOM 634 CB LEU B 4 19.462 6.862 -8.178 1.00 1.00 C ATOM 635 CG LEU B 4 19.960 8.279 -7.852 1.00 1.00 C ATOM 636 CD1 LEU B 4 18.928 9.042 -7.033 1.00 1.00 C ATOM 637 CD2 LEU B 4 21.293 8.224 -7.122 1.00 1.00 C ATOM 0 H LEU B 4 20.170 5.431 -5.340 1.00 1.00 H new ATOM 0 HA LEU B 4 18.626 6.728 -6.214 1.00 1.00 H new ATOM 0 HB2 LEU B 4 20.263 6.320 -8.681 1.00 1.00 H new ATOM 0 HB3 LEU B 4 18.636 6.939 -8.885 1.00 1.00 H new ATOM 0 HG LEU B 4 20.106 8.812 -8.792 1.00 1.00 H new ATOM 0 HD11 LEU B 4 19.303 10.042 -6.815 1.00 1.00 H new ATOM 0 HD12 LEU B 4 17.999 9.119 -7.598 1.00 1.00 H new ATOM 0 HD13 LEU B 4 18.741 8.513 -6.099 1.00 1.00 H new ATOM 0 HD21 LEU B 4 21.628 9.237 -6.900 1.00 1.00 H new ATOM 0 HD22 LEU B 4 21.176 7.669 -6.191 1.00 1.00 H new ATOM 0 HD23 LEU B 4 22.032 7.727 -7.750 1.00 1.00 H new ATOM 649 N LYS B 5 18.175 3.953 -7.921 1.00 1.00 N ATOM 650 CA LYS B 5 17.168 2.989 -8.326 1.00 1.00 C ATOM 651 C LYS B 5 16.808 2.073 -7.163 1.00 1.00 C ATOM 652 O LYS B 5 17.685 1.454 -6.559 1.00 1.00 O ATOM 653 CB LYS B 5 17.662 2.158 -9.512 1.00 1.00 C ATOM 654 CG LYS B 5 17.795 2.952 -10.800 1.00 1.00 C ATOM 655 CD LYS B 5 17.172 2.210 -11.974 1.00 1.00 C ATOM 656 CE LYS B 5 15.666 2.085 -11.812 1.00 1.00 C ATOM 657 NZ LYS B 5 15.100 0.985 -12.636 1.00 1.00 N ATOM 0 H LYS B 5 19.135 3.661 -8.102 1.00 1.00 H new ATOM 0 HA LYS B 5 16.277 3.538 -8.631 1.00 1.00 H new ATOM 0 HB2 LYS B 5 18.630 1.723 -9.262 1.00 1.00 H new ATOM 0 HB3 LYS B 5 16.973 1.329 -9.676 1.00 1.00 H new ATOM 0 HG2 LYS B 5 17.312 3.922 -10.683 1.00 1.00 H new ATOM 0 HG3 LYS B 5 18.848 3.143 -11.005 1.00 1.00 H new ATOM 0 HD2 LYS B 5 17.398 2.737 -12.901 1.00 1.00 H new ATOM 0 HD3 LYS B 5 17.615 1.217 -12.056 1.00 1.00 H new ATOM 0 HE2 LYS B 5 15.429 1.909 -10.763 1.00 1.00 H new ATOM 0 HE3 LYS B 5 15.193 3.026 -12.092 1.00 1.00 H new ATOM 0 HZ1 LYS B 5 14.071 0.938 -12.493 1.00 1.00 H new ATOM 0 HZ2 LYS B 5 15.302 1.164 -13.640 1.00 1.00 H new ATOM 0 HZ3 LYS B 5 15.530 0.082 -12.352 1.00 1.00 H new ATOM 671 N PRO B 6 15.512 1.983 -6.827 1.00 1.00 N ATOM 672 CA PRO B 6 15.038 1.136 -5.731 1.00 1.00 C ATOM 673 C PRO B 6 15.180 -0.349 -6.056 1.00 1.00 C ATOM 674 O PRO B 6 15.157 -0.743 -7.225 1.00 1.00 O ATOM 675 CB PRO B 6 13.560 1.517 -5.597 1.00 1.00 C ATOM 676 CG PRO B 6 13.178 2.036 -6.939 1.00 1.00 C ATOM 677 CD PRO B 6 14.409 2.700 -7.492 1.00 1.00 C ATOM 0 HA PRO B 6 15.611 1.288 -4.816 1.00 1.00 H new ATOM 0 HB2 PRO B 6 12.953 0.655 -5.319 1.00 1.00 H new ATOM 0 HB3 PRO B 6 13.415 2.272 -4.825 1.00 1.00 H new ATOM 0 HG2 PRO B 6 12.845 1.227 -7.590 1.00 1.00 H new ATOM 0 HG3 PRO B 6 12.353 2.744 -6.863 1.00 1.00 H new ATOM 0 HD2 PRO B 6 14.464 2.605 -8.576 1.00 1.00 H new ATOM 0 HD3 PRO B 6 14.427 3.766 -7.264 1.00 1.00 H new ATOM 685 N ALA B 7 15.330 -1.170 -5.025 1.00 1.00 N ATOM 686 CA ALA B 7 15.478 -2.608 -5.216 1.00 1.00 C ATOM 687 C ALA B 7 14.885 -3.389 -4.046 1.00 1.00 C ATOM 688 O ALA B 7 15.093 -4.598 -3.922 1.00 1.00 O ATOM 689 CB ALA B 7 16.947 -2.962 -5.399 1.00 1.00 C ATOM 0 H ALA B 7 15.352 -0.867 -4.051 1.00 1.00 H new ATOM 0 HA ALA B 7 14.928 -2.888 -6.115 1.00 1.00 H new ATOM 0 HB1 ALA B 7 17.047 -4.038 -5.541 1.00 1.00 H new ATOM 0 HB2 ALA B 7 17.340 -2.443 -6.273 1.00 1.00 H new ATOM 0 HB3 ALA B 7 17.507 -2.659 -4.514 1.00 1.00 H new ATOM 695 N ARG B 8 14.144 -2.699 -3.193 1.00 1.00 N ATOM 696 CA ARG B 8 13.534 -3.333 -2.033 1.00 1.00 C ATOM 697 C ARG B 8 12.021 -3.416 -2.194 1.00 1.00 C ATOM 698 O ARG B 8 11.423 -2.629 -2.927 1.00 1.00 O ATOM 699 CB ARG B 8 13.880 -2.564 -0.756 1.00 1.00 C ATOM 700 CG ARG B 8 15.347 -2.646 -0.368 1.00 1.00 C ATOM 701 CD ARG B 8 15.756 -4.071 -0.026 1.00 1.00 C ATOM 702 NE ARG B 8 17.166 -4.163 0.346 1.00 1.00 N ATOM 703 CZ ARG B 8 17.914 -5.252 0.179 1.00 1.00 C ATOM 704 NH1 ARG B 8 17.397 -6.345 -0.369 1.00 1.00 N ATOM 705 NH2 ARG B 8 19.191 -5.244 0.535 1.00 1.00 N ATOM 0 H ARG B 8 13.950 -1.701 -3.281 1.00 1.00 H new ATOM 0 HA ARG B 8 13.932 -4.345 -1.955 1.00 1.00 H new ATOM 0 HB2 ARG B 8 13.607 -1.517 -0.888 1.00 1.00 H new ATOM 0 HB3 ARG B 8 13.275 -2.950 0.064 1.00 1.00 H new ATOM 0 HG2 ARG B 8 15.962 -2.277 -1.189 1.00 1.00 H new ATOM 0 HG3 ARG B 8 15.535 -1.997 0.488 1.00 1.00 H new ATOM 0 HD2 ARG B 8 15.140 -4.437 0.795 1.00 1.00 H new ATOM 0 HD3 ARG B 8 15.564 -4.718 -0.882 1.00 1.00 H new ATOM 0 HE ARG B 8 17.605 -3.341 0.760 1.00 1.00 H new ATOM 0 HH11 ARG B 8 16.421 -6.354 -0.665 1.00 1.00 H new ATOM 0 HH12 ARG B 8 17.976 -7.176 -0.494 1.00 1.00 H new ATOM 0 HH21 ARG B 8 19.603 -4.402 0.938 1.00 1.00 H new ATOM 0 HH22 ARG B 8 19.762 -6.080 0.406 1.00 1.00 H new ATOM 719 N PHE B 9 11.416 -4.385 -1.519 1.00 1.00 N ATOM 720 CA PHE B 9 9.971 -4.580 -1.571 1.00 1.00 C ATOM 721 C PHE B 9 9.438 -4.950 -0.188 1.00 1.00 C ATOM 722 O PHE B 9 8.406 -5.605 -0.058 1.00 1.00 O ATOM 723 CB PHE B 9 9.600 -5.664 -2.597 1.00 1.00 C ATOM 724 CG PHE B 9 10.417 -6.925 -2.496 1.00 1.00 C ATOM 725 CD1 PHE B 9 10.081 -7.919 -1.589 1.00 1.00 C ATOM 726 CD2 PHE B 9 11.516 -7.117 -3.317 1.00 1.00 C ATOM 727 CE1 PHE B 9 10.828 -9.078 -1.503 1.00 1.00 C ATOM 728 CE2 PHE B 9 12.266 -8.274 -3.236 1.00 1.00 C ATOM 729 CZ PHE B 9 11.921 -9.256 -2.327 1.00 1.00 C ATOM 0 H PHE B 9 11.907 -5.053 -0.925 1.00 1.00 H new ATOM 0 HA PHE B 9 9.510 -3.644 -1.886 1.00 1.00 H new ATOM 0 HB2 PHE B 9 8.547 -5.918 -2.474 1.00 1.00 H new ATOM 0 HB3 PHE B 9 9.714 -5.252 -3.600 1.00 1.00 H new ATOM 0 HD1 PHE B 9 9.226 -7.786 -0.943 1.00 1.00 H new ATOM 0 HD2 PHE B 9 11.790 -6.353 -4.029 1.00 1.00 H new ATOM 0 HE1 PHE B 9 10.557 -9.844 -0.792 1.00 1.00 H new ATOM 0 HE2 PHE B 9 13.121 -8.411 -3.882 1.00 1.00 H new ATOM 0 HZ PHE B 9 12.506 -10.162 -2.261 1.00 1.00 H new ATOM 739 N MET B 10 10.152 -4.519 0.842 1.00 1.00 N ATOM 740 CA MET B 10 9.769 -4.793 2.219 1.00 1.00 C ATOM 741 C MET B 10 10.362 -3.743 3.144 1.00 1.00 C ATOM 742 O MET B 10 11.550 -3.429 3.054 1.00 1.00 O ATOM 743 CB MET B 10 10.244 -6.187 2.649 1.00 1.00 C ATOM 744 CG MET B 10 10.128 -6.427 4.147 1.00 1.00 C ATOM 745 SD MET B 10 10.872 -7.984 4.667 1.00 1.00 S ATOM 746 CE MET B 10 10.871 -7.770 6.448 1.00 1.00 C ATOM 0 H MET B 10 11.008 -3.973 0.748 1.00 1.00 H new ATOM 0 HA MET B 10 8.681 -4.760 2.284 1.00 1.00 H new ATOM 0 HB2 MET B 10 9.660 -6.941 2.121 1.00 1.00 H new ATOM 0 HB3 MET B 10 11.283 -6.319 2.346 1.00 1.00 H new ATOM 0 HG2 MET B 10 10.607 -5.605 4.680 1.00 1.00 H new ATOM 0 HG3 MET B 10 9.076 -6.420 4.431 1.00 1.00 H new ATOM 0 HE1 MET B 10 11.302 -8.652 6.921 1.00 1.00 H new ATOM 0 HE2 MET B 10 11.462 -6.893 6.709 1.00 1.00 H new ATOM 0 HE3 MET B 10 9.847 -7.635 6.798 1.00 1.00 H new ATOM 756 N CYS B 11 9.533 -3.198 4.019 1.00 1.00 N ATOM 757 CA CYS B 11 9.979 -2.196 4.967 1.00 1.00 C ATOM 758 C CYS B 11 10.678 -2.850 6.150 1.00 1.00 C ATOM 759 O CYS B 11 10.179 -3.821 6.726 1.00 1.00 O ATOM 760 CB CYS B 11 8.794 -1.369 5.450 1.00 1.00 C ATOM 761 SG CYS B 11 7.780 -0.699 4.101 1.00 1.00 S ATOM 0 H CYS B 11 8.544 -3.435 4.091 1.00 1.00 H new ATOM 0 HA CYS B 11 10.690 -1.539 4.467 1.00 1.00 H new ATOM 0 HB2 CYS B 11 8.167 -1.988 6.092 1.00 1.00 H new ATOM 0 HB3 CYS B 11 9.161 -0.545 6.061 1.00 1.00 H new ATOM 766 N LEU B 12 11.833 -2.312 6.498 1.00 1.00 N ATOM 767 CA LEU B 12 12.624 -2.826 7.607 1.00 1.00 C ATOM 768 C LEU B 12 11.948 -2.554 8.958 1.00 1.00 C ATOM 769 O LEU B 12 11.760 -3.481 9.745 1.00 1.00 O ATOM 770 CB LEU B 12 14.042 -2.234 7.588 1.00 1.00 C ATOM 771 CG LEU B 12 14.971 -2.770 6.493 1.00 1.00 C ATOM 772 CD1 LEU B 12 14.608 -2.194 5.134 1.00 1.00 C ATOM 773 CD2 LEU B 12 16.418 -2.449 6.824 1.00 1.00 C ATOM 0 H LEU B 12 12.249 -1.511 6.024 1.00 1.00 H new ATOM 0 HA LEU B 12 12.696 -3.906 7.482 1.00 1.00 H new ATOM 0 HB2 LEU B 12 13.963 -1.153 7.475 1.00 1.00 H new ATOM 0 HB3 LEU B 12 14.507 -2.420 8.556 1.00 1.00 H new ATOM 0 HG LEU B 12 14.847 -3.852 6.449 1.00 1.00 H new ATOM 0 HD11 LEU B 12 15.284 -2.592 4.378 1.00 1.00 H new ATOM 0 HD12 LEU B 12 13.583 -2.468 4.885 1.00 1.00 H new ATOM 0 HD13 LEU B 12 14.696 -1.108 5.164 1.00 1.00 H new ATOM 0 HD21 LEU B 12 17.066 -2.836 6.037 1.00 1.00 H new ATOM 0 HD22 LEU B 12 16.543 -1.369 6.899 1.00 1.00 H new ATOM 0 HD23 LEU B 12 16.685 -2.912 7.774 1.00 1.00 H new ATOM 785 N PRO B 13 11.579 -1.287 9.265 1.00 1.00 N ATOM 786 CA PRO B 13 10.928 -0.949 10.538 1.00 1.00 C ATOM 787 C PRO B 13 9.552 -1.598 10.688 1.00 1.00 C ATOM 788 O PRO B 13 9.212 -2.104 11.761 1.00 1.00 O ATOM 789 CB PRO B 13 10.790 0.577 10.490 1.00 1.00 C ATOM 790 CG PRO B 13 11.751 1.020 9.443 1.00 1.00 C ATOM 791 CD PRO B 13 11.784 -0.086 8.434 1.00 1.00 C ATOM 0 HA PRO B 13 11.509 -1.311 11.387 1.00 1.00 H new ATOM 0 HB2 PRO B 13 9.771 0.873 10.241 1.00 1.00 H new ATOM 0 HB3 PRO B 13 11.025 1.025 11.456 1.00 1.00 H new ATOM 0 HG2 PRO B 13 11.430 1.957 8.988 1.00 1.00 H new ATOM 0 HG3 PRO B 13 12.740 1.194 9.867 1.00 1.00 H new ATOM 0 HD2 PRO B 13 11.001 0.026 7.684 1.00 1.00 H new ATOM 0 HD3 PRO B 13 12.734 -0.120 7.901 1.00 1.00 H new ATOM 799 N CYS B 14 8.764 -1.578 9.617 1.00 1.00 N ATOM 800 CA CYS B 14 7.432 -2.165 9.641 1.00 1.00 C ATOM 801 C CYS B 14 7.504 -3.686 9.749 1.00 1.00 C ATOM 802 O CYS B 14 6.845 -4.294 10.593 1.00 1.00 O ATOM 803 CB CYS B 14 6.673 -1.765 8.379 1.00 1.00 C ATOM 804 SG CYS B 14 7.072 -0.093 7.780 1.00 1.00 S ATOM 0 H CYS B 14 9.026 -1.162 8.723 1.00 1.00 H new ATOM 0 HA CYS B 14 6.905 -1.789 10.518 1.00 1.00 H new ATOM 0 HB2 CYS B 14 6.893 -2.485 7.591 1.00 1.00 H new ATOM 0 HB3 CYS B 14 5.603 -1.824 8.576 1.00 1.00 H new ATOM 809 N GLY B 15 8.307 -4.290 8.882 1.00 1.00 N ATOM 810 CA GLY B 15 8.455 -5.733 8.882 1.00 1.00 C ATOM 811 C GLY B 15 7.496 -6.400 7.918 1.00 1.00 C ATOM 812 O GLY B 15 7.468 -7.625 7.799 1.00 1.00 O ATOM 0 H GLY B 15 8.860 -3.804 8.176 1.00 1.00 H new ATOM 0 HA2 GLY B 15 9.479 -5.993 8.613 1.00 1.00 H new ATOM 0 HA3 GLY B 15 8.283 -6.115 9.888 1.00 1.00 H new ATOM 816 N ILE B 16 6.717 -5.585 7.221 1.00 1.00 N ATOM 817 CA ILE B 16 5.744 -6.082 6.259 1.00 1.00 C ATOM 818 C ILE B 16 6.381 -6.224 4.881 1.00 1.00 C ATOM 819 O ILE B 16 6.960 -5.272 4.352 1.00 1.00 O ATOM 820 CB ILE B 16 4.517 -5.145 6.168 1.00 1.00 C ATOM 821 CG1 ILE B 16 3.914 -4.924 7.560 1.00 1.00 C ATOM 822 CG2 ILE B 16 3.474 -5.719 5.217 1.00 1.00 C ATOM 823 CD1 ILE B 16 2.881 -3.819 7.609 1.00 1.00 C ATOM 0 H ILE B 16 6.741 -4.569 7.305 1.00 1.00 H new ATOM 0 HA ILE B 16 5.409 -7.060 6.605 1.00 1.00 H new ATOM 0 HB ILE B 16 4.844 -4.182 5.775 1.00 1.00 H new ATOM 0 HG12 ILE B 16 3.455 -5.853 7.899 1.00 1.00 H new ATOM 0 HG13 ILE B 16 4.716 -4.691 8.260 1.00 1.00 H new ATOM 0 HG21 ILE B 16 2.618 -5.046 5.166 1.00 1.00 H new ATOM 0 HG22 ILE B 16 3.909 -5.829 4.224 1.00 1.00 H new ATOM 0 HG23 ILE B 16 3.148 -6.694 5.580 1.00 1.00 H new ATOM 0 HD11 ILE B 16 2.500 -3.722 8.626 1.00 1.00 H new ATOM 0 HD12 ILE B 16 3.339 -2.879 7.302 1.00 1.00 H new ATOM 0 HD13 ILE B 16 2.059 -4.059 6.935 1.00 1.00 H new ATOM 835 N ALA B 17 6.284 -7.418 4.315 1.00 1.00 N ATOM 836 CA ALA B 17 6.842 -7.690 3.001 1.00 1.00 C ATOM 837 C ALA B 17 5.768 -7.541 1.934 1.00 1.00 C ATOM 838 O ALA B 17 4.635 -7.997 2.115 1.00 1.00 O ATOM 839 CB ALA B 17 7.451 -9.087 2.959 1.00 1.00 C ATOM 0 H ALA B 17 5.821 -8.217 4.749 1.00 1.00 H new ATOM 0 HA ALA B 17 7.633 -6.967 2.800 1.00 1.00 H new ATOM 0 HB1 ALA B 17 7.864 -9.274 1.968 1.00 1.00 H new ATOM 0 HB2 ALA B 17 8.244 -9.161 3.703 1.00 1.00 H new ATOM 0 HB3 ALA B 17 6.680 -9.827 3.176 1.00 1.00 H new ATOM 845 N PHE B 18 6.121 -6.897 0.835 1.00 1.00 N ATOM 846 CA PHE B 18 5.191 -6.680 -0.259 1.00 1.00 C ATOM 847 C PHE B 18 5.629 -7.457 -1.490 1.00 1.00 C ATOM 848 O PHE B 18 6.634 -8.168 -1.463 1.00 1.00 O ATOM 849 CB PHE B 18 5.104 -5.190 -0.595 1.00 1.00 C ATOM 850 CG PHE B 18 4.512 -4.357 0.503 1.00 1.00 C ATOM 851 CD1 PHE B 18 5.294 -3.917 1.559 1.00 1.00 C ATOM 852 CD2 PHE B 18 3.170 -4.017 0.482 1.00 1.00 C ATOM 853 CE1 PHE B 18 4.747 -3.154 2.570 1.00 1.00 C ATOM 854 CE2 PHE B 18 2.618 -3.256 1.492 1.00 1.00 C ATOM 855 CZ PHE B 18 3.408 -2.824 2.536 1.00 1.00 C ATOM 0 H PHE B 18 7.052 -6.513 0.676 1.00 1.00 H new ATOM 0 HA PHE B 18 4.208 -7.033 0.052 1.00 1.00 H new ATOM 0 HB2 PHE B 18 6.104 -4.819 -0.822 1.00 1.00 H new ATOM 0 HB3 PHE B 18 4.505 -5.065 -1.497 1.00 1.00 H new ATOM 0 HD1 PHE B 18 6.342 -4.174 1.591 1.00 1.00 H new ATOM 0 HD2 PHE B 18 2.548 -4.351 -0.335 1.00 1.00 H new ATOM 0 HE1 PHE B 18 5.367 -2.815 3.387 1.00 1.00 H new ATOM 0 HE2 PHE B 18 1.569 -2.999 1.465 1.00 1.00 H new ATOM 0 HZ PHE B 18 2.979 -2.227 3.327 1.00 1.00 H new ATOM 865 N SER B 19 4.870 -7.318 -2.562 1.00 1.00 N ATOM 866 CA SER B 19 5.174 -7.990 -3.811 1.00 1.00 C ATOM 867 C SER B 19 5.217 -6.972 -4.943 1.00 1.00 C ATOM 868 O SER B 19 5.957 -7.128 -5.917 1.00 1.00 O ATOM 869 CB SER B 19 4.130 -9.071 -4.098 1.00 1.00 C ATOM 870 OG SER B 19 4.089 -10.023 -3.047 1.00 1.00 O ATOM 0 H SER B 19 4.030 -6.739 -2.591 1.00 1.00 H new ATOM 0 HA SER B 19 6.149 -8.470 -3.732 1.00 1.00 H new ATOM 0 HB2 SER B 19 3.148 -8.612 -4.218 1.00 1.00 H new ATOM 0 HB3 SER B 19 4.366 -9.570 -5.038 1.00 1.00 H new ATOM 0 HG SER B 19 3.414 -10.704 -3.249 1.00 1.00 H new ATOM 876 N SER B 20 4.423 -5.923 -4.799 1.00 1.00 N ATOM 877 CA SER B 20 4.348 -4.868 -5.787 1.00 1.00 C ATOM 878 C SER B 20 4.911 -3.571 -5.210 1.00 1.00 C ATOM 879 O SER B 20 4.464 -3.097 -4.168 1.00 1.00 O ATOM 880 CB SER B 20 2.890 -4.679 -6.221 1.00 1.00 C ATOM 881 OG SER B 20 2.180 -5.910 -6.156 1.00 1.00 O ATOM 0 H SER B 20 3.814 -5.782 -3.993 1.00 1.00 H new ATOM 0 HA SER B 20 4.943 -5.141 -6.659 1.00 1.00 H new ATOM 0 HB2 SER B 20 2.408 -3.941 -5.580 1.00 1.00 H new ATOM 0 HB3 SER B 20 2.856 -4.288 -7.238 1.00 1.00 H new ATOM 0 HG SER B 20 1.754 -5.996 -5.278 1.00 1.00 H new ATOM 887 N PRO B 21 5.916 -2.981 -5.871 1.00 1.00 N ATOM 888 CA PRO B 21 6.538 -1.734 -5.409 1.00 1.00 C ATOM 889 C PRO B 21 5.551 -0.566 -5.396 1.00 1.00 C ATOM 890 O PRO B 21 5.740 0.417 -4.674 1.00 1.00 O ATOM 891 CB PRO B 21 7.661 -1.489 -6.424 1.00 1.00 C ATOM 892 CG PRO B 21 7.278 -2.283 -7.625 1.00 1.00 C ATOM 893 CD PRO B 21 6.530 -3.479 -7.113 1.00 1.00 C ATOM 0 HA PRO B 21 6.895 -1.813 -4.382 1.00 1.00 H new ATOM 0 HB2 PRO B 21 7.751 -0.430 -6.664 1.00 1.00 H new ATOM 0 HB3 PRO B 21 8.625 -1.810 -6.030 1.00 1.00 H new ATOM 0 HG2 PRO B 21 6.656 -1.694 -8.299 1.00 1.00 H new ATOM 0 HG3 PRO B 21 8.160 -2.587 -8.189 1.00 1.00 H new ATOM 0 HD2 PRO B 21 5.779 -3.820 -7.825 1.00 1.00 H new ATOM 0 HD3 PRO B 21 7.196 -4.321 -6.924 1.00 1.00 H new ATOM 901 N SER B 22 4.490 -0.692 -6.185 1.00 1.00 N ATOM 902 CA SER B 22 3.465 0.334 -6.280 1.00 1.00 C ATOM 903 C SER B 22 2.665 0.440 -4.980 1.00 1.00 C ATOM 904 O SER B 22 2.083 1.486 -4.679 1.00 1.00 O ATOM 905 CB SER B 22 2.539 0.006 -7.449 1.00 1.00 C ATOM 906 OG SER B 22 2.949 -1.198 -8.088 1.00 1.00 O ATOM 0 H SER B 22 4.319 -1.507 -6.774 1.00 1.00 H new ATOM 0 HA SER B 22 3.945 1.298 -6.449 1.00 1.00 H new ATOM 0 HB2 SER B 22 1.514 -0.096 -7.091 1.00 1.00 H new ATOM 0 HB3 SER B 22 2.546 0.826 -8.167 1.00 1.00 H new ATOM 0 HG SER B 22 2.630 -1.967 -7.571 1.00 1.00 H new ATOM 912 N THR B 23 2.640 -0.636 -4.207 1.00 1.00 N ATOM 913 CA THR B 23 1.914 -0.650 -2.949 1.00 1.00 C ATOM 914 C THR B 23 2.669 0.134 -1.877 1.00 1.00 C ATOM 915 O THR B 23 2.065 0.731 -0.985 1.00 1.00 O ATOM 916 CB THR B 23 1.676 -2.090 -2.470 1.00 1.00 C ATOM 917 OG1 THR B 23 1.712 -2.984 -3.593 1.00 1.00 O ATOM 918 CG2 THR B 23 0.333 -2.201 -1.773 1.00 1.00 C ATOM 0 H THR B 23 3.115 -1.511 -4.431 1.00 1.00 H new ATOM 0 HA THR B 23 0.949 -0.173 -3.119 1.00 1.00 H new ATOM 0 HB THR B 23 2.461 -2.359 -1.763 1.00 1.00 H new ATOM 0 HG1 THR B 23 0.858 -2.942 -4.072 1.00 1.00 H new ATOM 0 HG21 THR B 23 0.180 -3.227 -1.440 1.00 1.00 H new ATOM 0 HG22 THR B 23 0.314 -1.533 -0.912 1.00 1.00 H new ATOM 0 HG23 THR B 23 -0.461 -1.922 -2.466 1.00 1.00 H new ATOM 926 N LEU B 24 3.991 0.164 -1.993 1.00 1.00 N ATOM 927 CA LEU B 24 4.828 0.876 -1.034 1.00 1.00 C ATOM 928 C LEU B 24 4.708 2.385 -1.219 1.00 1.00 C ATOM 929 O LEU B 24 5.077 3.155 -0.333 1.00 1.00 O ATOM 930 CB LEU B 24 6.294 0.457 -1.176 1.00 1.00 C ATOM 931 CG LEU B 24 6.639 -0.932 -0.632 1.00 1.00 C ATOM 932 CD1 LEU B 24 6.399 -1.996 -1.690 1.00 1.00 C ATOM 933 CD2 LEU B 24 8.083 -0.972 -0.156 1.00 1.00 C ATOM 0 H LEU B 24 4.507 -0.297 -2.742 1.00 1.00 H new ATOM 0 HA LEU B 24 4.479 0.615 -0.035 1.00 1.00 H new ATOM 0 HB2 LEU B 24 6.563 0.491 -2.232 1.00 1.00 H new ATOM 0 HB3 LEU B 24 6.915 1.193 -0.665 1.00 1.00 H new ATOM 0 HG LEU B 24 5.988 -1.140 0.217 1.00 1.00 H new ATOM 0 HD11 LEU B 24 6.650 -2.976 -1.284 1.00 1.00 H new ATOM 0 HD12 LEU B 24 5.350 -1.984 -1.987 1.00 1.00 H new ATOM 0 HD13 LEU B 24 7.024 -1.792 -2.559 1.00 1.00 H new ATOM 0 HD21 LEU B 24 8.312 -1.966 0.228 1.00 1.00 H new ATOM 0 HD22 LEU B 24 8.747 -0.743 -0.989 1.00 1.00 H new ATOM 0 HD23 LEU B 24 8.226 -0.236 0.635 1.00 1.00 H new ATOM 945 N GLU B 25 4.169 2.795 -2.367 1.00 1.00 N ATOM 946 CA GLU B 25 4.005 4.210 -2.698 1.00 1.00 C ATOM 947 C GLU B 25 3.313 4.984 -1.575 1.00 1.00 C ATOM 948 O GLU B 25 3.862 5.951 -1.049 1.00 1.00 O ATOM 949 CB GLU B 25 3.205 4.351 -3.993 1.00 1.00 C ATOM 950 CG GLU B 25 3.092 5.782 -4.491 1.00 1.00 C ATOM 951 CD GLU B 25 2.206 5.900 -5.708 1.00 1.00 C ATOM 952 OE1 GLU B 25 2.660 5.548 -6.816 1.00 1.00 O ATOM 953 OE2 GLU B 25 1.043 6.334 -5.564 1.00 1.00 O ATOM 0 H GLU B 25 3.835 2.159 -3.091 1.00 1.00 H new ATOM 0 HA GLU B 25 5.000 4.635 -2.829 1.00 1.00 H new ATOM 0 HB2 GLU B 25 3.674 3.743 -4.767 1.00 1.00 H new ATOM 0 HB3 GLU B 25 2.203 3.951 -3.836 1.00 1.00 H new ATOM 0 HG2 GLU B 25 2.695 6.411 -3.694 1.00 1.00 H new ATOM 0 HG3 GLU B 25 4.086 6.160 -4.731 1.00 1.00 H new ATOM 960 N ALA B 26 2.116 4.553 -1.205 1.00 1.00 N ATOM 961 CA ALA B 26 1.367 5.228 -0.153 1.00 1.00 C ATOM 962 C ALA B 26 1.710 4.660 1.215 1.00 1.00 C ATOM 963 O ALA B 26 1.704 5.380 2.209 1.00 1.00 O ATOM 964 CB ALA B 26 -0.125 5.132 -0.415 1.00 1.00 C ATOM 0 H ALA B 26 1.645 3.746 -1.613 1.00 1.00 H new ATOM 0 HA ALA B 26 1.651 6.280 -0.159 1.00 1.00 H new ATOM 0 HB1 ALA B 26 -0.668 5.642 0.381 1.00 1.00 H new ATOM 0 HB2 ALA B 26 -0.357 5.601 -1.371 1.00 1.00 H new ATOM 0 HB3 ALA B 26 -0.423 4.084 -0.444 1.00 1.00 H new ATOM 970 N HIS B 27 2.023 3.369 1.259 1.00 1.00 N ATOM 971 CA HIS B 27 2.374 2.707 2.515 1.00 1.00 C ATOM 972 C HIS B 27 3.512 3.436 3.232 1.00 1.00 C ATOM 973 O HIS B 27 3.479 3.601 4.454 1.00 1.00 O ATOM 974 CB HIS B 27 2.758 1.243 2.257 1.00 1.00 C ATOM 975 CG HIS B 27 3.254 0.522 3.477 1.00 1.00 C ATOM 976 ND1 HIS B 27 2.488 -0.335 4.241 1.00 1.00 N ATOM 977 CD2 HIS B 27 4.476 0.558 4.068 1.00 1.00 C ATOM 978 CE1 HIS B 27 3.259 -0.781 5.247 1.00 1.00 C ATOM 979 NE2 HIS B 27 4.472 -0.262 5.185 1.00 1.00 N ATOM 0 H HIS B 27 2.041 2.759 0.442 1.00 1.00 H new ATOM 0 HA HIS B 27 1.498 2.735 3.163 1.00 1.00 H new ATOM 0 HB2 HIS B 27 1.891 0.714 1.861 1.00 1.00 H new ATOM 0 HB3 HIS B 27 3.530 1.210 1.488 1.00 1.00 H new ATOM 0 HD1 HIS B 27 1.513 -0.585 4.073 1.00 1.00 H new ATOM 0 HD2 HIS B 27 5.320 1.136 3.721 1.00 1.00 H new ATOM 0 HE1 HIS B 27 2.930 -1.474 6.007 1.00 1.00 H new ATOM 987 N GLN B 28 4.501 3.888 2.466 1.00 1.00 N ATOM 988 CA GLN B 28 5.655 4.587 3.027 1.00 1.00 C ATOM 989 C GLN B 28 5.283 5.965 3.565 1.00 1.00 C ATOM 990 O GLN B 28 6.118 6.656 4.133 1.00 1.00 O ATOM 991 CB GLN B 28 6.753 4.718 1.973 1.00 1.00 C ATOM 992 CG GLN B 28 7.484 3.415 1.697 1.00 1.00 C ATOM 993 CD GLN B 28 8.931 3.456 2.143 1.00 1.00 C ATOM 994 OE1 GLN B 28 9.826 3.766 1.359 1.00 1.00 O ATOM 995 NE2 GLN B 28 9.169 3.148 3.407 1.00 1.00 N ATOM 0 H GLN B 28 4.527 3.783 1.452 1.00 1.00 H new ATOM 0 HA GLN B 28 6.021 3.994 3.865 1.00 1.00 H new ATOM 0 HB2 GLN B 28 6.313 5.083 1.045 1.00 1.00 H new ATOM 0 HB3 GLN B 28 7.473 5.468 2.301 1.00 1.00 H new ATOM 0 HG2 GLN B 28 6.972 2.600 2.209 1.00 1.00 H new ATOM 0 HG3 GLN B 28 7.442 3.198 0.630 1.00 1.00 H new ATOM 0 HE21 GLN B 28 8.397 2.896 4.025 1.00 1.00 H new ATOM 0 HE22 GLN B 28 10.124 3.162 3.764 1.00 1.00 H new ATOM 1004 N ALA B 29 4.037 6.367 3.369 1.00 1.00 N ATOM 1005 CA ALA B 29 3.566 7.655 3.853 1.00 1.00 C ATOM 1006 C ALA B 29 2.521 7.456 4.945 1.00 1.00 C ATOM 1007 O ALA B 29 1.922 8.415 5.439 1.00 1.00 O ATOM 1008 CB ALA B 29 2.993 8.471 2.705 1.00 1.00 C ATOM 0 H ALA B 29 3.332 5.818 2.877 1.00 1.00 H new ATOM 0 HA ALA B 29 4.408 8.202 4.277 1.00 1.00 H new ATOM 0 HB1 ALA B 29 2.644 9.433 3.081 1.00 1.00 H new ATOM 0 HB2 ALA B 29 3.765 8.634 1.953 1.00 1.00 H new ATOM 0 HB3 ALA B 29 2.158 7.932 2.257 1.00 1.00 H new ATOM 1014 N TYR B 30 2.314 6.203 5.327 1.00 1.00 N ATOM 1015 CA TYR B 30 1.337 5.871 6.352 1.00 1.00 C ATOM 1016 C TYR B 30 1.970 5.062 7.479 1.00 1.00 C ATOM 1017 O TYR B 30 1.928 5.464 8.643 1.00 1.00 O ATOM 1018 CB TYR B 30 0.170 5.093 5.744 1.00 1.00 C ATOM 1019 CG TYR B 30 -0.853 5.978 5.068 1.00 1.00 C ATOM 1020 CD1 TYR B 30 -1.868 6.578 5.801 1.00 1.00 C ATOM 1021 CD2 TYR B 30 -0.802 6.222 3.702 1.00 1.00 C ATOM 1022 CE1 TYR B 30 -2.799 7.395 5.194 1.00 1.00 C ATOM 1023 CE2 TYR B 30 -1.731 7.035 3.087 1.00 1.00 C ATOM 1024 CZ TYR B 30 -2.727 7.619 3.837 1.00 1.00 C ATOM 1025 OH TYR B 30 -3.648 8.439 3.229 1.00 1.00 O ATOM 0 H TYR B 30 2.811 5.400 4.941 1.00 1.00 H new ATOM 0 HA TYR B 30 0.964 6.806 6.771 1.00 1.00 H new ATOM 0 HB2 TYR B 30 0.558 4.378 5.018 1.00 1.00 H new ATOM 0 HB3 TYR B 30 -0.321 4.516 6.528 1.00 1.00 H new ATOM 0 HD1 TYR B 30 -1.930 6.402 6.865 1.00 1.00 H new ATOM 0 HD2 TYR B 30 -0.021 5.767 3.111 1.00 1.00 H new ATOM 0 HE1 TYR B 30 -3.580 7.857 5.780 1.00 1.00 H new ATOM 0 HE2 TYR B 30 -1.677 7.213 2.023 1.00 1.00 H new ATOM 0 HH TYR B 30 -3.809 8.128 2.314 1.00 1.00 H new ATOM 1035 N TYR B 31 2.557 3.925 7.128 1.00 1.00 N ATOM 1036 CA TYR B 31 3.190 3.059 8.112 1.00 1.00 C ATOM 1037 C TYR B 31 4.625 3.497 8.357 1.00 1.00 C ATOM 1038 O TYR B 31 5.076 3.576 9.500 1.00 1.00 O ATOM 1039 CB TYR B 31 3.158 1.604 7.646 1.00 1.00 C ATOM 1040 CG TYR B 31 2.376 0.687 8.559 1.00 1.00 C ATOM 1041 CD1 TYR B 31 2.916 0.239 9.757 1.00 1.00 C ATOM 1042 CD2 TYR B 31 1.096 0.266 8.221 1.00 1.00 C ATOM 1043 CE1 TYR B 31 2.203 -0.601 10.593 1.00 1.00 C ATOM 1044 CE2 TYR B 31 0.377 -0.573 9.050 1.00 1.00 C ATOM 1045 CZ TYR B 31 0.934 -1.004 10.234 1.00 1.00 C ATOM 1046 OH TYR B 31 0.218 -1.838 11.062 1.00 1.00 O ATOM 0 H TYR B 31 2.607 3.582 6.169 1.00 1.00 H new ATOM 0 HA TYR B 31 2.634 3.138 9.046 1.00 1.00 H new ATOM 0 HB2 TYR B 31 2.725 1.562 6.647 1.00 1.00 H new ATOM 0 HB3 TYR B 31 4.181 1.236 7.566 1.00 1.00 H new ATOM 0 HD1 TYR B 31 3.910 0.552 10.041 1.00 1.00 H new ATOM 0 HD2 TYR B 31 0.655 0.601 7.294 1.00 1.00 H new ATOM 0 HE1 TYR B 31 2.638 -0.939 11.522 1.00 1.00 H new ATOM 0 HE2 TYR B 31 -0.617 -0.890 8.771 1.00 1.00 H new ATOM 0 HH TYR B 31 -0.657 -2.024 10.662 1.00 1.00 H new ATOM 1056 N CYS B 32 5.336 3.795 7.277 1.00 1.00 N ATOM 1057 CA CYS B 32 6.717 4.233 7.365 1.00 1.00 C ATOM 1058 C CYS B 32 6.779 5.742 7.603 1.00 1.00 C ATOM 1059 O CYS B 32 7.470 6.465 6.885 1.00 1.00 O ATOM 1060 CB CYS B 32 7.451 3.872 6.076 1.00 1.00 C ATOM 1061 SG CYS B 32 6.883 2.320 5.308 1.00 1.00 S ATOM 0 H CYS B 32 4.973 3.740 6.325 1.00 1.00 H new ATOM 0 HA CYS B 32 7.199 3.731 8.204 1.00 1.00 H new ATOM 0 HB2 CYS B 32 7.329 4.685 5.361 1.00 1.00 H new ATOM 0 HB3 CYS B 32 8.517 3.791 6.288 1.00 1.00 H new ATOM 1066 N SER B 33 6.054 6.187 8.629 1.00 1.00 N ATOM 1067 CA SER B 33 5.966 7.601 9.002 1.00 1.00 C ATOM 1068 C SER B 33 5.119 8.379 7.990 1.00 1.00 C ATOM 1069 O SER B 33 5.070 8.043 6.806 1.00 1.00 O ATOM 1070 CB SER B 33 7.358 8.232 9.137 1.00 1.00 C ATOM 1071 OG SER B 33 8.205 7.425 9.939 1.00 1.00 O ATOM 0 H SER B 33 5.506 5.572 9.231 1.00 1.00 H new ATOM 0 HA SER B 33 5.478 7.655 9.975 1.00 1.00 H new ATOM 0 HB2 SER B 33 7.801 8.361 8.149 1.00 1.00 H new ATOM 0 HB3 SER B 33 7.270 9.225 9.579 1.00 1.00 H new ATOM 0 HG SER B 33 9.087 7.846 10.010 1.00 1.00 H new ATOM 1077 N HIS B 34 4.444 9.419 8.457 1.00 1.00 N ATOM 1078 CA HIS B 34 3.596 10.223 7.586 1.00 1.00 C ATOM 1079 C HIS B 34 4.425 11.248 6.827 1.00 1.00 C ATOM 1080 O HIS B 34 4.353 12.448 7.095 1.00 1.00 O ATOM 1081 CB HIS B 34 2.497 10.918 8.392 1.00 1.00 C ATOM 1082 CG HIS B 34 1.223 10.134 8.448 1.00 1.00 C ATOM 1083 ND1 HIS B 34 0.947 9.217 9.434 1.00 1.00 N ATOM 1084 CD2 HIS B 34 0.141 10.141 7.633 1.00 1.00 C ATOM 1085 CE1 HIS B 34 -0.247 8.694 9.227 1.00 1.00 C ATOM 1086 NE2 HIS B 34 -0.761 9.239 8.139 1.00 1.00 N ATOM 0 H HIS B 34 4.466 9.726 9.429 1.00 1.00 H new ATOM 0 HA HIS B 34 3.124 9.557 6.863 1.00 1.00 H new ATOM 0 HB2 HIS B 34 2.854 11.092 9.407 1.00 1.00 H new ATOM 0 HB3 HIS B 34 2.296 11.895 7.953 1.00 1.00 H new ATOM 0 HD2 HIS B 34 0.012 10.746 6.747 1.00 1.00 H new ATOM 0 HE1 HIS B 34 -0.724 7.946 9.843 1.00 1.00 H new ATOM 0 HE2 HIS B 34 -1.676 9.025 7.741 1.00 1.00 H new ATOM 1095 N ARG B 35 5.227 10.764 5.891 1.00 1.00 N ATOM 1096 CA ARG B 35 6.077 11.627 5.089 1.00 1.00 C ATOM 1097 C ARG B 35 5.348 12.073 3.835 1.00 1.00 C ATOM 1098 O ARG B 35 4.437 11.393 3.359 1.00 1.00 O ATOM 1099 CB ARG B 35 7.370 10.903 4.704 1.00 1.00 C ATOM 1100 CG ARG B 35 7.145 9.481 4.217 1.00 1.00 C ATOM 1101 CD ARG B 35 7.729 9.249 2.828 1.00 1.00 C ATOM 1102 NE ARG B 35 6.950 9.905 1.775 1.00 1.00 N ATOM 1103 CZ ARG B 35 6.437 9.268 0.720 1.00 1.00 C ATOM 1104 NH1 ARG B 35 6.603 7.956 0.581 1.00 1.00 N ATOM 1105 NH2 ARG B 35 5.756 9.943 -0.196 1.00 1.00 N ATOM 0 H ARG B 35 5.306 9.772 5.668 1.00 1.00 H new ATOM 0 HA ARG B 35 6.328 12.504 5.686 1.00 1.00 H new ATOM 0 HB2 ARG B 35 7.876 11.470 3.923 1.00 1.00 H new ATOM 0 HB3 ARG B 35 8.036 10.882 5.566 1.00 1.00 H new ATOM 0 HG2 ARG B 35 7.597 8.782 4.921 1.00 1.00 H new ATOM 0 HG3 ARG B 35 6.076 9.270 4.200 1.00 1.00 H new ATOM 0 HD2 ARG B 35 8.754 9.620 2.802 1.00 1.00 H new ATOM 0 HD3 ARG B 35 7.772 8.178 2.630 1.00 1.00 H new ATOM 0 HE ARG B 35 6.790 10.909 1.853 1.00 1.00 H new ATOM 0 HH11 ARG B 35 7.125 7.431 1.283 1.00 1.00 H new ATOM 0 HH12 ARG B 35 6.209 7.475 -0.227 1.00 1.00 H new ATOM 0 HH21 ARG B 35 5.624 10.949 -0.095 1.00 1.00 H new ATOM 0 HH22 ARG B 35 5.364 9.456 -1.002 1.00 1.00 H new ATOM 1119 N ILE B 36 5.743 13.219 3.312 1.00 1.00 N ATOM 1120 CA ILE B 36 5.142 13.747 2.102 1.00 1.00 C ATOM 1121 C ILE B 36 5.636 12.945 0.903 1.00 1.00 C ATOM 1122 O ILE B 36 4.824 12.633 0.007 1.00 1.00 O ATOM 1123 CB ILE B 36 5.461 15.253 1.917 1.00 1.00 C ATOM 1124 CG1 ILE B 36 4.794 15.801 0.652 1.00 1.00 C ATOM 1125 CG2 ILE B 36 6.964 15.499 1.883 1.00 1.00 C ATOM 1126 CD1 ILE B 36 3.290 15.915 0.759 1.00 1.00 C ATOM 1127 OXT ILE B 36 6.830 12.581 0.887 1.00 1.00 O ATOM 0 H ILE B 36 6.480 13.803 3.708 1.00 1.00 H new ATOM 0 HA ILE B 36 4.059 13.654 2.184 1.00 1.00 H new ATOM 0 HB ILE B 36 5.054 15.786 2.776 1.00 1.00 H new ATOM 0 HG12 ILE B 36 5.209 16.784 0.430 1.00 1.00 H new ATOM 0 HG13 ILE B 36 5.042 15.153 -0.189 1.00 1.00 H new ATOM 0 HG21 ILE B 36 7.155 16.564 1.752 1.00 1.00 H new ATOM 0 HG22 ILE B 36 7.409 15.163 2.819 1.00 1.00 H new ATOM 0 HG23 ILE B 36 7.404 14.947 1.053 1.00 1.00 H new ATOM 0 HD11 ILE B 36 2.888 16.310 -0.174 1.00 1.00 H new ATOM 0 HD12 ILE B 36 2.863 14.930 0.950 1.00 1.00 H new ATOM 0 HD13 ILE B 36 3.033 16.587 1.578 1.00 1.00 H new TER 1139 ILE B 36 HETATM 1140 ZN ZN A 244 -5.598 -1.298 4.342 1.00 1.00 ZN HETATM 1141 ZN ZN B 37 6.290 0.098 5.650 1.00 1.00 ZN