USER MOD reduce.3.24.130724 H: found=0, std=0, add=991, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 992 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 Set 1.1: A 27 MET CE :methyl 180:sc= -1.22 (180deg=-1.22) USER MOD Set 1.2: A 41 ASN : amide:sc= -9.19! C(o=-14!,f=-15!) USER MOD Set 1.3: A 93 TYR OH : rot 48:sc= -3.55! USER MOD Set 2.1: A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 17 GLN : amide:sc= -8.94! C(o=-14!,f=-19!) USER MOD Set 3.2: A 45 HIS : no HE2:sc= -0.84 X(o=-14,f=-14) USER MOD Set 3.3: A 79 THR OG1 : rot 56:sc= -3.92! USER MOD Set 4.1: A 57 THR OG1 : rot 180:sc= -0.784 USER MOD Set 4.2: A 73 HIS :FLIP no HD1:sc= -0.299 F(o=-1.8,f=-1.1) USER MOD Set 5.1: A 15 HIS :FLIP no HE2:sc= -9.8! C(o=-13!,f=-9.7!) USER MOD Set 5.2: A 42 THR OG1 : rot 101:sc= 0.137 USER MOD Set 6.1: A 9 GLN : amide:sc= -0.83 X(o=-1.8,f=-2.1) USER MOD Set 6.2: A 12 LYS NZ :NH3+ -171:sc= -0.956 (180deg=-1.23!) USER MOD Set 7.1: A 7 SER OG : rot -110:sc= -1.62 USER MOD Set 7.2: A 107 LYS NZ :NH3+ -158:sc= 0.399 (180deg=-1.4!) USER MOD Set 7.3: A 110 GLN : amide:sc= -0.124 K(o=-1.3,f=-5.5) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -90:sc= -2.78! USER MOD Single : A 8 SER OG : rot 12:sc= -10.1! USER MOD Single : A 14 GLN : amide:sc= -4.33! C(o=-4.3!,f=-8.6!) USER MOD Single : A 16 MET CE :methyl -174:sc= -0.291 (180deg=-0.452) USER MOD Single : A 19 SER OG : rot 64:sc= 0.82 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= -4.32! C(o=-4.3!,f=-11!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -112:sc= -1.76! (180deg=-3.63!) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 31 ASN : amide:sc= -4.3! C(o=-4.3!,f=-6.9!) USER MOD Single : A 32 LYS NZ :NH3+ 164:sc= -4.02! (180deg=-4.54!) USER MOD Single : A 33 HIS : no HD1:sc= -4.6! C(o=-4.6!,f=-5.4!) USER MOD Single : A 34 THR OG1 : rot -92:sc= 0.143 USER MOD Single : A 35 LYS NZ :NH3+ -178:sc= 0.329 (180deg=0.327) USER MOD Single : A 38 LYS NZ :NH3+ -155:sc= -1.5! (180deg=-2.01) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 170:sc= 0 USER MOD Single : A 54 THR OG1 : rot 65:sc= -0.0346 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -162:sc= -0.196 (180deg=-0.448) USER MOD Single : A 63 LYS NZ :NH3+ 161:sc= -0.147 (180deg=-0.771) USER MOD Single : A 64 ASN : amide:sc= -0.567 X(o=-0.57,f=-0.74) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.0444 K(o=-0.044,f=-3.8!) USER MOD Single : A 70 HIS : no HD1:sc= -15.1! C(o=-15!,f=-18!) USER MOD Single : A 71 GLN : amide:sc= -0.177 K(o=-0.18,f=-3.3!) USER MOD Single : A 72 SER OG : rot 91:sc= 0.116 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -58:sc= -0.224! USER MOD Single : A 85 SER OG : rot 51:sc= 0.834 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 6:sc= -0.77 USER MOD Single : A 90 ASN : amide:sc= -0.201 X(o=-0.2,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN :FLIP amide:sc= -0.577 F(o=-5.2!,f=-0.58) USER MOD Single : A 99 ASN : amide:sc= -1.14 K(o=-1.1,f=-1.7!) USER MOD Single : A 101 SER OG : rot 180:sc= -2.84! USER MOD Single : A 102 TYR OH : rot 150:sc= -1.11 USER MOD Single : A 111 LYS NZ :NH3+ -163:sc=-0.00531 (180deg=-0.131) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -0.448 K(o=-0.45,f=-1.1) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HD1:sc= -0.196 X(o=-0.2,f=-0.099) USER MOD Single : A 123 HIS : no HD1:sc= -6.04! C(o=-6!,f=-14!) USER MOD ----------------------------------------------------------------- ATOM 85 N MET A 5 102.738 5.834 13.809 1.00 0.00 N ATOM 86 CA MET A 5 102.530 5.353 12.415 1.00 0.00 C ATOM 87 C MET A 5 103.126 6.365 11.438 1.00 0.00 C ATOM 88 O MET A 5 102.421 6.978 10.661 1.00 0.00 O ATOM 89 CB MET A 5 101.031 5.211 12.134 1.00 0.00 C ATOM 90 CG MET A 5 100.355 4.490 13.299 1.00 0.00 C ATOM 91 SD MET A 5 98.653 4.074 12.845 1.00 0.00 S ATOM 92 CE MET A 5 98.029 3.809 14.523 1.00 0.00 C ATOM 0 HA MET A 5 103.017 4.385 12.292 1.00 0.00 H new ATOM 0 HB2 MET A 5 100.583 6.195 11.993 1.00 0.00 H new ATOM 0 HB3 MET A 5 100.876 4.654 11.210 1.00 0.00 H new ATOM 0 HG2 MET A 5 100.907 3.585 13.550 1.00 0.00 H new ATOM 0 HG3 MET A 5 100.362 5.124 14.186 1.00 0.00 H new ATOM 0 HE1 MET A 5 96.974 3.537 14.480 1.00 0.00 H new ATOM 0 HE2 MET A 5 98.592 3.006 14.998 1.00 0.00 H new ATOM 0 HE3 MET A 5 98.144 4.725 15.103 1.00 0.00 H new ATOM 102 N THR A 6 104.421 6.538 11.457 1.00 0.00 N ATOM 103 CA THR A 6 105.053 7.501 10.513 1.00 0.00 C ATOM 104 C THR A 6 104.470 7.261 9.115 1.00 0.00 C ATOM 105 O THR A 6 103.883 6.233 8.853 1.00 0.00 O ATOM 106 CB THR A 6 106.573 7.274 10.508 1.00 0.00 C ATOM 107 OG1 THR A 6 107.155 7.999 11.580 1.00 0.00 O ATOM 108 CG2 THR A 6 107.181 7.755 9.190 1.00 0.00 C ATOM 0 H THR A 6 105.065 6.055 12.083 1.00 0.00 H new ATOM 0 HA THR A 6 104.854 8.529 10.817 1.00 0.00 H new ATOM 0 HB THR A 6 106.772 6.208 10.621 1.00 0.00 H new ATOM 0 HG1 THR A 6 107.398 8.897 11.273 1.00 0.00 H new ATOM 0 HG21 THR A 6 108.258 7.587 9.203 1.00 0.00 H new ATOM 0 HG22 THR A 6 106.738 7.202 8.362 1.00 0.00 H new ATOM 0 HG23 THR A 6 106.981 8.819 9.064 1.00 0.00 H new ATOM 116 N SER A 7 104.614 8.192 8.217 1.00 0.00 N ATOM 117 CA SER A 7 104.051 7.983 6.853 1.00 0.00 C ATOM 118 C SER A 7 104.494 6.611 6.339 1.00 0.00 C ATOM 119 O SER A 7 103.683 5.761 6.031 1.00 0.00 O ATOM 120 CB SER A 7 104.560 9.078 5.915 1.00 0.00 C ATOM 121 OG SER A 7 103.786 10.255 6.109 1.00 0.00 O ATOM 0 H SER A 7 105.092 9.081 8.364 1.00 0.00 H new ATOM 0 HA SER A 7 102.962 8.027 6.890 1.00 0.00 H new ATOM 0 HB2 SER A 7 105.612 9.283 6.113 1.00 0.00 H new ATOM 0 HB3 SER A 7 104.489 8.748 4.879 1.00 0.00 H new ATOM 0 HG SER A 7 103.224 10.410 5.321 1.00 0.00 H new ATOM 127 N SER A 8 105.776 6.387 6.256 1.00 0.00 N ATOM 128 CA SER A 8 106.274 5.067 5.776 1.00 0.00 C ATOM 129 C SER A 8 105.733 3.958 6.668 1.00 0.00 C ATOM 130 O SER A 8 105.499 2.857 6.220 1.00 0.00 O ATOM 131 CB SER A 8 107.798 5.049 5.819 1.00 0.00 C ATOM 132 OG SER A 8 108.304 5.883 4.787 1.00 0.00 O ATOM 0 H SER A 8 106.501 7.061 6.500 1.00 0.00 H new ATOM 0 HA SER A 8 105.935 4.908 4.752 1.00 0.00 H new ATOM 0 HB2 SER A 8 108.150 5.397 6.790 1.00 0.00 H new ATOM 0 HB3 SER A 8 108.165 4.031 5.693 1.00 0.00 H new ATOM 0 HG SER A 8 107.575 6.420 4.413 1.00 0.00 H new ATOM 138 N GLN A 9 105.530 4.228 7.924 1.00 0.00 N ATOM 139 CA GLN A 9 104.998 3.165 8.816 1.00 0.00 C ATOM 140 C GLN A 9 103.577 2.819 8.371 1.00 0.00 C ATOM 141 O GLN A 9 103.252 1.678 8.131 1.00 0.00 O ATOM 142 CB GLN A 9 104.987 3.666 10.259 1.00 0.00 C ATOM 143 CG GLN A 9 106.371 3.462 10.880 1.00 0.00 C ATOM 144 CD GLN A 9 106.505 2.022 11.379 1.00 0.00 C ATOM 145 OE1 GLN A 9 107.499 1.369 11.127 1.00 0.00 O ATOM 146 NE2 GLN A 9 105.540 1.495 12.082 1.00 0.00 N ATOM 0 H GLN A 9 105.707 5.129 8.369 1.00 0.00 H new ATOM 0 HA GLN A 9 105.627 2.277 8.758 1.00 0.00 H new ATOM 0 HB2 GLN A 9 104.716 4.721 10.287 1.00 0.00 H new ATOM 0 HB3 GLN A 9 104.235 3.128 10.836 1.00 0.00 H new ATOM 0 HG2 GLN A 9 107.146 3.675 10.144 1.00 0.00 H new ATOM 0 HG3 GLN A 9 106.516 4.158 11.706 1.00 0.00 H new ATOM 0 HE21 GLN A 9 104.706 2.042 12.294 1.00 0.00 H new ATOM 0 HE22 GLN A 9 105.620 0.536 12.420 1.00 0.00 H new ATOM 155 N TRP A 10 102.733 3.798 8.234 1.00 0.00 N ATOM 156 CA TRP A 10 101.345 3.519 7.781 1.00 0.00 C ATOM 157 C TRP A 10 101.412 2.814 6.423 1.00 0.00 C ATOM 158 O TRP A 10 100.594 1.978 6.089 1.00 0.00 O ATOM 159 CB TRP A 10 100.586 4.853 7.667 1.00 0.00 C ATOM 160 CG TRP A 10 99.612 4.818 6.528 1.00 0.00 C ATOM 161 CD1 TRP A 10 99.482 5.789 5.594 1.00 0.00 C ATOM 162 CD2 TRP A 10 98.634 3.792 6.189 1.00 0.00 C ATOM 163 NE1 TRP A 10 98.489 5.424 4.705 1.00 0.00 N ATOM 164 CE2 TRP A 10 97.937 4.202 5.028 1.00 0.00 C ATOM 165 CE3 TRP A 10 98.287 2.559 6.768 1.00 0.00 C ATOM 166 CZ2 TRP A 10 96.933 3.415 4.464 1.00 0.00 C ATOM 167 CZ3 TRP A 10 97.279 1.765 6.201 1.00 0.00 C ATOM 168 CH2 TRP A 10 96.605 2.193 5.053 1.00 0.00 C ATOM 0 H TRP A 10 102.943 4.779 8.416 1.00 0.00 H new ATOM 0 HA TRP A 10 100.822 2.877 8.490 1.00 0.00 H new ATOM 0 HB2 TRP A 10 100.056 5.055 8.598 1.00 0.00 H new ATOM 0 HB3 TRP A 10 101.295 5.668 7.520 1.00 0.00 H new ATOM 0 HD1 TRP A 10 100.060 6.700 5.551 1.00 0.00 H new ATOM 0 HE1 TRP A 10 98.199 5.990 3.907 1.00 0.00 H new ATOM 0 HE3 TRP A 10 98.800 2.220 7.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 96.413 3.749 3.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 97.022 0.819 6.653 1.00 0.00 H new ATOM 0 HH2 TRP A 10 95.830 1.577 4.622 1.00 0.00 H new ATOM 179 N PHE A 11 102.388 3.148 5.637 1.00 0.00 N ATOM 180 CA PHE A 11 102.511 2.513 4.293 1.00 0.00 C ATOM 181 C PHE A 11 103.183 1.142 4.385 1.00 0.00 C ATOM 182 O PHE A 11 103.134 0.373 3.455 1.00 0.00 O ATOM 183 CB PHE A 11 103.294 3.429 3.342 1.00 0.00 C ATOM 184 CG PHE A 11 102.384 3.807 2.200 1.00 0.00 C ATOM 185 CD1 PHE A 11 101.523 4.899 2.333 1.00 0.00 C ATOM 186 CD2 PHE A 11 102.383 3.053 1.021 1.00 0.00 C ATOM 187 CE1 PHE A 11 100.659 5.241 1.291 1.00 0.00 C ATOM 188 CE2 PHE A 11 101.522 3.396 -0.024 1.00 0.00 C ATOM 189 CZ PHE A 11 100.657 4.490 0.110 1.00 0.00 C ATOM 0 H PHE A 11 103.109 3.833 5.862 1.00 0.00 H new ATOM 0 HA PHE A 11 101.506 2.367 3.897 1.00 0.00 H new ATOM 0 HB2 PHE A 11 103.635 4.321 3.868 1.00 0.00 H new ATOM 0 HB3 PHE A 11 104.182 2.920 2.968 1.00 0.00 H new ATOM 0 HD1 PHE A 11 101.526 5.480 3.244 1.00 0.00 H new ATOM 0 HD2 PHE A 11 103.047 2.207 0.919 1.00 0.00 H new ATOM 0 HE1 PHE A 11 99.993 6.084 1.396 1.00 0.00 H new ATOM 0 HE2 PHE A 11 101.523 2.817 -0.936 1.00 0.00 H new ATOM 0 HZ PHE A 11 99.989 4.753 -0.697 1.00 0.00 H new ATOM 199 N LYS A 12 103.796 0.809 5.484 1.00 0.00 N ATOM 200 CA LYS A 12 104.426 -0.538 5.577 1.00 0.00 C ATOM 201 C LYS A 12 103.353 -1.515 6.061 1.00 0.00 C ATOM 202 O LYS A 12 103.390 -2.693 5.805 1.00 0.00 O ATOM 203 CB LYS A 12 105.636 -0.505 6.533 1.00 0.00 C ATOM 204 CG LYS A 12 105.187 -0.565 8.002 1.00 0.00 C ATOM 205 CD LYS A 12 105.194 -2.010 8.513 1.00 0.00 C ATOM 206 CE LYS A 12 105.078 -2.009 10.038 1.00 0.00 C ATOM 207 NZ LYS A 12 106.238 -1.280 10.624 1.00 0.00 N ATOM 0 H LYS A 12 103.889 1.399 6.311 1.00 0.00 H new ATOM 0 HA LYS A 12 104.804 -0.857 4.606 1.00 0.00 H new ATOM 0 HB2 LYS A 12 106.296 -1.345 6.317 1.00 0.00 H new ATOM 0 HB3 LYS A 12 106.212 0.405 6.363 1.00 0.00 H new ATOM 0 HG2 LYS A 12 105.850 0.046 8.615 1.00 0.00 H new ATOM 0 HG3 LYS A 12 104.186 -0.145 8.099 1.00 0.00 H new ATOM 0 HD2 LYS A 12 104.366 -2.567 8.074 1.00 0.00 H new ATOM 0 HD3 LYS A 12 106.112 -2.511 8.207 1.00 0.00 H new ATOM 0 HE2 LYS A 12 104.145 -1.534 10.342 1.00 0.00 H new ATOM 0 HE3 LYS A 12 105.051 -3.032 10.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 106.243 -1.408 11.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 107.122 -1.655 10.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 106.160 -0.267 10.401 1.00 0.00 H new ATOM 221 N ILE A 13 102.360 -1.015 6.712 1.00 0.00 N ATOM 222 CA ILE A 13 101.251 -1.891 7.169 1.00 0.00 C ATOM 223 C ILE A 13 100.309 -2.027 5.985 1.00 0.00 C ATOM 224 O ILE A 13 99.557 -2.973 5.856 1.00 0.00 O ATOM 225 CB ILE A 13 100.528 -1.233 8.359 1.00 0.00 C ATOM 226 CG1 ILE A 13 101.210 0.091 8.693 1.00 0.00 C ATOM 227 CG2 ILE A 13 100.612 -2.143 9.576 1.00 0.00 C ATOM 228 CD1 ILE A 13 100.497 0.780 9.852 1.00 0.00 C ATOM 0 H ILE A 13 102.261 -0.029 6.953 1.00 0.00 H new ATOM 0 HA ILE A 13 101.611 -2.865 7.499 1.00 0.00 H new ATOM 0 HB ILE A 13 99.484 -1.064 8.095 1.00 0.00 H new ATOM 0 HG12 ILE A 13 102.254 -0.086 8.953 1.00 0.00 H new ATOM 0 HG13 ILE A 13 101.206 0.740 7.818 1.00 0.00 H new ATOM 0 HG21 ILE A 13 100.100 -1.675 10.416 1.00 0.00 H new ATOM 0 HG22 ILE A 13 100.139 -3.098 9.349 1.00 0.00 H new ATOM 0 HG23 ILE A 13 101.658 -2.308 9.835 1.00 0.00 H new ATOM 0 HD11 ILE A 13 100.996 1.723 10.077 1.00 0.00 H new ATOM 0 HD12 ILE A 13 99.460 0.975 9.577 1.00 0.00 H new ATOM 0 HD13 ILE A 13 100.525 0.136 10.731 1.00 0.00 H new ATOM 240 N GLN A 14 100.366 -1.057 5.121 1.00 0.00 N ATOM 241 CA GLN A 14 99.506 -1.048 3.911 1.00 0.00 C ATOM 242 C GLN A 14 100.293 -1.578 2.690 1.00 0.00 C ATOM 243 O GLN A 14 99.725 -1.813 1.642 1.00 0.00 O ATOM 244 CB GLN A 14 99.064 0.412 3.666 1.00 0.00 C ATOM 245 CG GLN A 14 99.406 0.848 2.248 1.00 0.00 C ATOM 246 CD GLN A 14 98.972 2.300 2.040 1.00 0.00 C ATOM 247 OE1 GLN A 14 99.210 3.144 2.881 1.00 0.00 O ATOM 248 NE2 GLN A 14 98.341 2.629 0.946 1.00 0.00 N ATOM 0 H GLN A 14 100.987 -0.252 5.205 1.00 0.00 H new ATOM 0 HA GLN A 14 98.639 -1.692 4.055 1.00 0.00 H new ATOM 0 HB2 GLN A 14 97.991 0.505 3.831 1.00 0.00 H new ATOM 0 HB3 GLN A 14 99.555 1.071 4.382 1.00 0.00 H new ATOM 0 HG2 GLN A 14 100.478 0.750 2.075 1.00 0.00 H new ATOM 0 HG3 GLN A 14 98.906 0.201 1.527 1.00 0.00 H new ATOM 0 HE21 GLN A 14 98.141 1.921 0.240 1.00 0.00 H new ATOM 0 HE22 GLN A 14 98.048 3.595 0.797 1.00 0.00 H new ATOM 257 N HIS A 15 101.596 -1.718 2.786 1.00 0.00 N ATOM 258 CA HIS A 15 102.382 -2.161 1.587 1.00 0.00 C ATOM 259 C HIS A 15 103.678 -2.898 1.980 1.00 0.00 C ATOM 260 O HIS A 15 104.615 -2.943 1.207 1.00 0.00 O ATOM 261 CB HIS A 15 102.767 -0.897 0.799 1.00 0.00 C ATOM 262 CG HIS A 15 102.070 -0.866 -0.533 1.00 0.00 C ATOM 263 ND1 HIS A 15 100.765 -0.619 -0.879 1.00 0.00 N flip ATOM 264 CD2 HIS A 15 102.743 -1.087 -1.725 1.00 0.00 C flip ATOM 265 CE1 HIS A 15 100.631 -0.684 -2.260 1.00 0.00 C flip ATOM 266 NE2 HIS A 15 101.848 -0.968 -2.724 1.00 0.00 N flip ATOM 0 H HIS A 15 102.143 -1.548 3.630 1.00 0.00 H new ATOM 0 HA HIS A 15 101.771 -2.849 1.003 1.00 0.00 H new ATOM 0 HB2 HIS A 15 102.502 -0.010 1.374 1.00 0.00 H new ATOM 0 HB3 HIS A 15 103.847 -0.870 0.650 1.00 0.00 H new ATOM 0 HD1 HIS A 15 100.010 -0.419 -0.223 1.00 0.00 H new ATOM 0 HD2 HIS A 15 103.794 -1.313 -1.833 1.00 0.00 H new ATOM 0 HE1 HIS A 15 99.730 -0.536 -2.837 1.00 0.00 H new ATOM 275 N MET A 16 103.760 -3.472 3.147 1.00 0.00 N ATOM 276 CA MET A 16 105.028 -4.187 3.525 1.00 0.00 C ATOM 277 C MET A 16 104.891 -5.686 3.263 1.00 0.00 C ATOM 278 O MET A 16 103.964 -6.325 3.717 1.00 0.00 O ATOM 279 CB MET A 16 105.355 -3.962 5.013 1.00 0.00 C ATOM 280 CG MET A 16 104.508 -4.887 5.900 1.00 0.00 C ATOM 281 SD MET A 16 105.305 -6.510 6.026 1.00 0.00 S ATOM 282 CE MET A 16 105.239 -6.667 7.829 1.00 0.00 C ATOM 0 H MET A 16 103.022 -3.482 3.851 1.00 0.00 H new ATOM 0 HA MET A 16 105.836 -3.784 2.915 1.00 0.00 H new ATOM 0 HB2 MET A 16 106.414 -4.149 5.190 1.00 0.00 H new ATOM 0 HB3 MET A 16 105.166 -2.922 5.279 1.00 0.00 H new ATOM 0 HG2 MET A 16 104.392 -4.450 6.892 1.00 0.00 H new ATOM 0 HG3 MET A 16 103.508 -4.994 5.480 1.00 0.00 H new ATOM 0 HE1 MET A 16 105.780 -7.562 8.136 1.00 0.00 H new ATOM 0 HE2 MET A 16 105.697 -5.791 8.288 1.00 0.00 H new ATOM 0 HE3 MET A 16 104.200 -6.743 8.150 1.00 0.00 H new ATOM 292 N GLN A 17 105.827 -6.257 2.548 1.00 0.00 N ATOM 293 CA GLN A 17 105.768 -7.718 2.281 1.00 0.00 C ATOM 294 C GLN A 17 106.828 -8.479 3.111 1.00 0.00 C ATOM 295 O GLN A 17 106.778 -9.691 3.184 1.00 0.00 O ATOM 296 CB GLN A 17 105.995 -7.994 0.793 1.00 0.00 C ATOM 297 CG GLN A 17 105.466 -9.393 0.459 1.00 0.00 C ATOM 298 CD GLN A 17 106.247 -9.974 -0.720 1.00 0.00 C ATOM 299 OE1 GLN A 17 106.483 -9.298 -1.702 1.00 0.00 O ATOM 300 NE2 GLN A 17 106.660 -11.211 -0.667 1.00 0.00 N ATOM 0 H GLN A 17 106.626 -5.772 2.140 1.00 0.00 H new ATOM 0 HA GLN A 17 104.778 -8.070 2.571 1.00 0.00 H new ATOM 0 HB2 GLN A 17 105.484 -7.244 0.189 1.00 0.00 H new ATOM 0 HB3 GLN A 17 107.057 -7.926 0.555 1.00 0.00 H new ATOM 0 HG2 GLN A 17 105.562 -10.045 1.327 1.00 0.00 H new ATOM 0 HG3 GLN A 17 104.405 -9.342 0.214 1.00 0.00 H new ATOM 0 HE21 GLN A 17 106.463 -11.780 0.156 1.00 0.00 H new ATOM 0 HE22 GLN A 17 107.180 -11.609 -1.449 1.00 0.00 H new ATOM 309 N PRO A 18 107.778 -7.813 3.747 1.00 0.00 N ATOM 310 CA PRO A 18 108.804 -8.518 4.560 1.00 0.00 C ATOM 311 C PRO A 18 108.184 -9.652 5.381 1.00 0.00 C ATOM 312 O PRO A 18 108.830 -10.633 5.687 1.00 0.00 O ATOM 313 CB PRO A 18 109.359 -7.421 5.470 1.00 0.00 C ATOM 314 CG PRO A 18 109.215 -6.161 4.681 1.00 0.00 C ATOM 315 CD PRO A 18 107.990 -6.351 3.778 1.00 0.00 C ATOM 0 HA PRO A 18 109.572 -8.991 3.947 1.00 0.00 H new ATOM 0 HB2 PRO A 18 108.805 -7.366 6.407 1.00 0.00 H new ATOM 0 HB3 PRO A 18 110.401 -7.610 5.727 1.00 0.00 H new ATOM 0 HG2 PRO A 18 109.082 -5.303 5.340 1.00 0.00 H new ATOM 0 HG3 PRO A 18 110.109 -5.971 4.087 1.00 0.00 H new ATOM 0 HD2 PRO A 18 107.118 -5.832 4.177 1.00 0.00 H new ATOM 0 HD3 PRO A 18 108.168 -5.954 2.779 1.00 0.00 H new ATOM 323 N SER A 19 106.928 -9.522 5.725 1.00 0.00 N ATOM 324 CA SER A 19 106.246 -10.589 6.515 1.00 0.00 C ATOM 325 C SER A 19 104.981 -10.020 7.171 1.00 0.00 C ATOM 326 O SER A 19 104.890 -9.929 8.380 1.00 0.00 O ATOM 327 CB SER A 19 107.195 -11.117 7.600 1.00 0.00 C ATOM 328 OG SER A 19 107.918 -12.229 7.089 1.00 0.00 O ATOM 0 H SER A 19 106.344 -8.719 5.491 1.00 0.00 H new ATOM 0 HA SER A 19 105.970 -11.406 5.849 1.00 0.00 H new ATOM 0 HB2 SER A 19 107.884 -10.332 7.910 1.00 0.00 H new ATOM 0 HB3 SER A 19 106.628 -11.411 8.483 1.00 0.00 H new ATOM 0 HG SER A 19 108.484 -11.937 6.344 1.00 0.00 H new ATOM 334 N PRO A 20 104.004 -9.651 6.382 1.00 0.00 N ATOM 335 CA PRO A 20 102.726 -9.101 6.901 1.00 0.00 C ATOM 336 C PRO A 20 101.806 -10.225 7.386 1.00 0.00 C ATOM 337 O PRO A 20 102.246 -11.330 7.632 1.00 0.00 O ATOM 338 CB PRO A 20 102.126 -8.374 5.690 1.00 0.00 C ATOM 339 CG PRO A 20 102.668 -9.087 4.494 1.00 0.00 C ATOM 340 CD PRO A 20 104.010 -9.717 4.912 1.00 0.00 C ATOM 0 HA PRO A 20 102.863 -8.443 7.759 1.00 0.00 H new ATOM 0 HB2 PRO A 20 101.037 -8.410 5.709 1.00 0.00 H new ATOM 0 HB3 PRO A 20 102.410 -7.322 5.683 1.00 0.00 H new ATOM 0 HG2 PRO A 20 101.972 -9.854 4.154 1.00 0.00 H new ATOM 0 HG3 PRO A 20 102.809 -8.395 3.664 1.00 0.00 H new ATOM 0 HD2 PRO A 20 104.092 -10.746 4.561 1.00 0.00 H new ATOM 0 HD3 PRO A 20 104.854 -9.169 4.493 1.00 0.00 H new ATOM 348 N GLN A 21 100.538 -9.961 7.515 1.00 0.00 N ATOM 349 CA GLN A 21 99.594 -11.022 7.973 1.00 0.00 C ATOM 350 C GLN A 21 98.721 -11.430 6.789 1.00 0.00 C ATOM 351 O GLN A 21 97.510 -11.354 6.839 1.00 0.00 O ATOM 352 CB GLN A 21 98.717 -10.473 9.102 1.00 0.00 C ATOM 353 CG GLN A 21 99.489 -10.527 10.423 1.00 0.00 C ATOM 354 CD GLN A 21 98.732 -9.736 11.490 1.00 0.00 C ATOM 355 OE1 GLN A 21 98.697 -8.522 11.453 1.00 0.00 O ATOM 356 NE2 GLN A 21 98.119 -10.376 12.448 1.00 0.00 N ATOM 0 H GLN A 21 100.111 -9.055 7.323 1.00 0.00 H new ATOM 0 HA GLN A 21 100.145 -11.886 8.345 1.00 0.00 H new ATOM 0 HB2 GLN A 21 98.424 -9.447 8.882 1.00 0.00 H new ATOM 0 HB3 GLN A 21 97.800 -11.057 9.181 1.00 0.00 H new ATOM 0 HG2 GLN A 21 99.613 -11.562 10.742 1.00 0.00 H new ATOM 0 HG3 GLN A 21 100.488 -10.113 10.289 1.00 0.00 H new ATOM 0 HE21 GLN A 21 98.148 -11.395 12.480 1.00 0.00 H new ATOM 0 HE22 GLN A 21 97.611 -9.857 13.165 1.00 0.00 H new ATOM 365 N ALA A 22 99.335 -11.842 5.714 1.00 0.00 N ATOM 366 CA ALA A 22 98.553 -12.232 4.509 1.00 0.00 C ATOM 367 C ALA A 22 97.909 -10.983 3.934 1.00 0.00 C ATOM 368 O ALA A 22 97.246 -10.247 4.638 1.00 0.00 O ATOM 369 CB ALA A 22 97.448 -13.222 4.884 1.00 0.00 C ATOM 0 H ALA A 22 100.347 -11.925 5.619 1.00 0.00 H new ATOM 0 HA ALA A 22 99.219 -12.701 3.784 1.00 0.00 H new ATOM 0 HB1 ALA A 22 96.887 -13.496 3.991 1.00 0.00 H new ATOM 0 HB2 ALA A 22 97.893 -14.116 5.321 1.00 0.00 H new ATOM 0 HB3 ALA A 22 96.776 -12.760 5.607 1.00 0.00 H new ATOM 375 N CYS A 23 98.077 -10.729 2.670 1.00 0.00 N ATOM 376 CA CYS A 23 97.437 -9.520 2.101 1.00 0.00 C ATOM 377 C CYS A 23 95.996 -9.483 2.561 1.00 0.00 C ATOM 378 O CYS A 23 95.416 -8.439 2.743 1.00 0.00 O ATOM 379 CB CYS A 23 97.460 -9.578 0.595 1.00 0.00 C ATOM 380 SG CYS A 23 99.165 -9.788 0.035 1.00 0.00 S ATOM 0 H CYS A 23 98.620 -11.295 2.018 1.00 0.00 H new ATOM 0 HA CYS A 23 97.977 -8.633 2.433 1.00 0.00 H new ATOM 0 HB2 CYS A 23 96.844 -10.405 0.241 1.00 0.00 H new ATOM 0 HB3 CYS A 23 97.037 -8.664 0.177 1.00 0.00 H new ATOM 385 N ASN A 24 95.410 -10.622 2.760 1.00 0.00 N ATOM 386 CA ASN A 24 94.007 -10.629 3.229 1.00 0.00 C ATOM 387 C ASN A 24 93.919 -9.760 4.488 1.00 0.00 C ATOM 388 O ASN A 24 93.125 -8.847 4.571 1.00 0.00 O ATOM 389 CB ASN A 24 93.572 -12.063 3.553 1.00 0.00 C ATOM 390 CG ASN A 24 94.214 -13.035 2.562 1.00 0.00 C ATOM 391 OD1 ASN A 24 95.397 -12.958 2.295 1.00 0.00 O ATOM 392 ND2 ASN A 24 93.479 -13.956 2.001 1.00 0.00 N ATOM 0 H ASN A 24 95.836 -11.538 2.620 1.00 0.00 H new ATOM 0 HA ASN A 24 93.349 -10.235 2.454 1.00 0.00 H new ATOM 0 HB2 ASN A 24 93.865 -12.321 4.571 1.00 0.00 H new ATOM 0 HB3 ASN A 24 92.486 -12.143 3.504 1.00 0.00 H new ATOM 0 HD21 ASN A 24 93.898 -14.610 1.340 1.00 0.00 H new ATOM 0 HD22 ASN A 24 92.486 -14.022 2.224 1.00 0.00 H new ATOM 399 N SER A 25 94.746 -10.029 5.465 1.00 0.00 N ATOM 400 CA SER A 25 94.711 -9.218 6.719 1.00 0.00 C ATOM 401 C SER A 25 95.492 -7.912 6.525 1.00 0.00 C ATOM 402 O SER A 25 95.149 -6.879 7.070 1.00 0.00 O ATOM 403 CB SER A 25 95.330 -10.026 7.863 1.00 0.00 C ATOM 404 OG SER A 25 94.578 -9.809 9.049 1.00 0.00 O ATOM 0 H SER A 25 95.443 -10.774 5.449 1.00 0.00 H new ATOM 0 HA SER A 25 93.676 -8.976 6.961 1.00 0.00 H new ATOM 0 HB2 SER A 25 95.338 -11.087 7.612 1.00 0.00 H new ATOM 0 HB3 SER A 25 96.367 -9.727 8.016 1.00 0.00 H new ATOM 0 HG SER A 25 94.970 -10.326 9.784 1.00 0.00 H new ATOM 410 N ALA A 26 96.530 -7.944 5.744 1.00 0.00 N ATOM 411 CA ALA A 26 97.315 -6.701 5.510 1.00 0.00 C ATOM 412 C ALA A 26 96.382 -5.667 4.910 1.00 0.00 C ATOM 413 O ALA A 26 96.442 -4.491 5.207 1.00 0.00 O ATOM 414 CB ALA A 26 98.442 -6.999 4.532 1.00 0.00 C ATOM 0 H ALA A 26 96.870 -8.773 5.258 1.00 0.00 H new ATOM 0 HA ALA A 26 97.741 -6.332 6.443 1.00 0.00 H new ATOM 0 HB1 ALA A 26 99.021 -6.092 4.356 1.00 0.00 H new ATOM 0 HB2 ALA A 26 99.091 -7.769 4.949 1.00 0.00 H new ATOM 0 HB3 ALA A 26 98.022 -7.350 3.589 1.00 0.00 H new ATOM 420 N MET A 27 95.512 -6.122 4.067 1.00 0.00 N ATOM 421 CA MET A 27 94.544 -5.217 3.423 1.00 0.00 C ATOM 422 C MET A 27 93.443 -4.897 4.431 1.00 0.00 C ATOM 423 O MET A 27 92.818 -3.857 4.379 1.00 0.00 O ATOM 424 CB MET A 27 93.959 -5.930 2.206 1.00 0.00 C ATOM 425 CG MET A 27 92.971 -5.028 1.456 1.00 0.00 C ATOM 426 SD MET A 27 93.411 -3.286 1.632 1.00 0.00 S ATOM 427 CE MET A 27 91.740 -2.612 1.468 1.00 0.00 C ATOM 0 H MET A 27 95.431 -7.101 3.793 1.00 0.00 H new ATOM 0 HA MET A 27 95.020 -4.290 3.103 1.00 0.00 H new ATOM 0 HB2 MET A 27 94.764 -6.229 1.535 1.00 0.00 H new ATOM 0 HB3 MET A 27 93.454 -6.842 2.524 1.00 0.00 H new ATOM 0 HG2 MET A 27 92.959 -5.297 0.400 1.00 0.00 H new ATOM 0 HG3 MET A 27 91.963 -5.191 1.838 1.00 0.00 H new ATOM 0 HE1 MET A 27 91.776 -1.526 1.548 1.00 0.00 H new ATOM 0 HE2 MET A 27 91.329 -2.891 0.498 1.00 0.00 H new ATOM 0 HE3 MET A 27 91.107 -3.013 2.259 1.00 0.00 H new ATOM 437 N LYS A 28 93.208 -5.791 5.357 1.00 0.00 N ATOM 438 CA LYS A 28 92.149 -5.536 6.377 1.00 0.00 C ATOM 439 C LYS A 28 92.493 -4.275 7.172 1.00 0.00 C ATOM 440 O LYS A 28 91.620 -3.543 7.591 1.00 0.00 O ATOM 441 CB LYS A 28 92.050 -6.721 7.343 1.00 0.00 C ATOM 442 CG LYS A 28 91.345 -7.896 6.659 1.00 0.00 C ATOM 443 CD LYS A 28 89.859 -7.570 6.418 1.00 0.00 C ATOM 444 CE LYS A 28 89.562 -7.538 4.911 1.00 0.00 C ATOM 445 NZ LYS A 28 88.107 -7.781 4.697 1.00 0.00 N ATOM 0 H LYS A 28 93.700 -6.680 5.450 1.00 0.00 H new ATOM 0 HA LYS A 28 91.196 -5.404 5.865 1.00 0.00 H new ATOM 0 HB2 LYS A 28 93.047 -7.022 7.666 1.00 0.00 H new ATOM 0 HB3 LYS A 28 91.501 -6.427 8.237 1.00 0.00 H new ATOM 0 HG2 LYS A 28 91.833 -8.117 5.710 1.00 0.00 H new ATOM 0 HG3 LYS A 28 91.431 -8.789 7.278 1.00 0.00 H new ATOM 0 HD2 LYS A 28 89.232 -8.317 6.904 1.00 0.00 H new ATOM 0 HD3 LYS A 28 89.613 -6.607 6.865 1.00 0.00 H new ATOM 0 HE2 LYS A 28 89.848 -6.574 4.491 1.00 0.00 H new ATOM 0 HE3 LYS A 28 90.150 -8.297 4.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 87.973 -8.703 4.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 87.616 -7.779 5.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 87.715 -7.031 4.093 1.00 0.00 H new ATOM 459 N ASN A 29 93.753 -4.005 7.386 1.00 0.00 N ATOM 460 CA ASN A 29 94.111 -2.779 8.158 1.00 0.00 C ATOM 461 C ASN A 29 93.777 -1.550 7.311 1.00 0.00 C ATOM 462 O ASN A 29 93.400 -0.504 7.808 1.00 0.00 O ATOM 463 CB ASN A 29 95.608 -2.791 8.476 1.00 0.00 C ATOM 464 CG ASN A 29 95.971 -1.538 9.275 1.00 0.00 C ATOM 465 OD1 ASN A 29 96.476 -0.579 8.726 1.00 0.00 O ATOM 466 ND2 ASN A 29 95.735 -1.506 10.558 1.00 0.00 N ATOM 0 H ASN A 29 94.539 -4.570 7.066 1.00 0.00 H new ATOM 0 HA ASN A 29 93.549 -2.751 9.091 1.00 0.00 H new ATOM 0 HB2 ASN A 29 95.862 -3.685 9.046 1.00 0.00 H new ATOM 0 HB3 ASN A 29 96.186 -2.826 7.553 1.00 0.00 H new ATOM 0 HD21 ASN A 29 95.974 -0.676 11.100 1.00 0.00 H new ATOM 0 HD22 ASN A 29 95.311 -2.311 11.019 1.00 0.00 H new ATOM 473 N ILE A 30 93.911 -1.681 6.029 1.00 0.00 N ATOM 474 CA ILE A 30 93.613 -0.545 5.121 1.00 0.00 C ATOM 475 C ILE A 30 92.094 -0.353 5.024 1.00 0.00 C ATOM 476 O ILE A 30 91.611 0.746 4.847 1.00 0.00 O ATOM 477 CB ILE A 30 94.199 -0.868 3.746 1.00 0.00 C ATOM 478 CG1 ILE A 30 95.572 -1.533 3.945 1.00 0.00 C ATOM 479 CG2 ILE A 30 94.344 0.412 2.900 1.00 0.00 C ATOM 480 CD1 ILE A 30 96.299 -1.649 2.604 1.00 0.00 C ATOM 0 H ILE A 30 94.218 -2.535 5.564 1.00 0.00 H new ATOM 0 HA ILE A 30 94.053 0.377 5.501 1.00 0.00 H new ATOM 0 HB ILE A 30 93.530 -1.544 3.214 1.00 0.00 H new ATOM 0 HG12 ILE A 30 96.171 -0.947 4.643 1.00 0.00 H new ATOM 0 HG13 ILE A 30 95.445 -2.522 4.386 1.00 0.00 H new ATOM 0 HG21 ILE A 30 94.763 0.159 1.926 1.00 0.00 H new ATOM 0 HG22 ILE A 30 93.365 0.872 2.766 1.00 0.00 H new ATOM 0 HG23 ILE A 30 95.007 1.112 3.409 1.00 0.00 H new ATOM 0 HD11 ILE A 30 97.270 -2.121 2.756 1.00 0.00 H new ATOM 0 HD12 ILE A 30 95.705 -2.254 1.919 1.00 0.00 H new ATOM 0 HD13 ILE A 30 96.441 -0.655 2.180 1.00 0.00 H new ATOM 492 N ASN A 31 91.337 -1.411 5.157 1.00 0.00 N ATOM 493 CA ASN A 31 89.850 -1.283 5.089 1.00 0.00 C ATOM 494 C ASN A 31 89.350 -0.700 6.409 1.00 0.00 C ATOM 495 O ASN A 31 88.236 -0.229 6.513 1.00 0.00 O ATOM 496 CB ASN A 31 89.222 -2.667 4.848 1.00 0.00 C ATOM 497 CG ASN A 31 88.724 -3.270 6.166 1.00 0.00 C ATOM 498 OD1 ASN A 31 89.381 -3.169 7.182 1.00 0.00 O ATOM 499 ND2 ASN A 31 87.581 -3.898 6.190 1.00 0.00 N ATOM 0 H ASN A 31 91.684 -2.358 5.310 1.00 0.00 H new ATOM 0 HA ASN A 31 89.567 -0.625 4.267 1.00 0.00 H new ATOM 0 HB2 ASN A 31 88.393 -2.579 4.146 1.00 0.00 H new ATOM 0 HB3 ASN A 31 89.956 -3.331 4.392 1.00 0.00 H new ATOM 0 HD21 ASN A 31 87.240 -4.304 7.062 1.00 0.00 H new ATOM 0 HD22 ASN A 31 87.028 -3.984 5.337 1.00 0.00 H new ATOM 506 N LYS A 32 90.171 -0.723 7.420 1.00 0.00 N ATOM 507 CA LYS A 32 89.740 -0.168 8.728 1.00 0.00 C ATOM 508 C LYS A 32 89.957 1.344 8.713 1.00 0.00 C ATOM 509 O LYS A 32 89.181 2.100 9.265 1.00 0.00 O ATOM 510 CB LYS A 32 90.537 -0.844 9.863 1.00 0.00 C ATOM 511 CG LYS A 32 91.854 -0.100 10.155 1.00 0.00 C ATOM 512 CD LYS A 32 91.658 0.872 11.324 1.00 0.00 C ATOM 513 CE LYS A 32 92.985 1.566 11.638 1.00 0.00 C ATOM 514 NZ LYS A 32 93.338 2.491 10.524 1.00 0.00 N ATOM 0 H LYS A 32 91.118 -1.101 7.396 1.00 0.00 H new ATOM 0 HA LYS A 32 88.682 -0.366 8.901 1.00 0.00 H new ATOM 0 HB2 LYS A 32 89.928 -0.875 10.767 1.00 0.00 H new ATOM 0 HB3 LYS A 32 90.755 -1.876 9.590 1.00 0.00 H new ATOM 0 HG2 LYS A 32 92.640 -0.816 10.394 1.00 0.00 H new ATOM 0 HG3 LYS A 32 92.178 0.445 9.268 1.00 0.00 H new ATOM 0 HD2 LYS A 32 90.899 1.612 11.072 1.00 0.00 H new ATOM 0 HD3 LYS A 32 91.300 0.334 12.202 1.00 0.00 H new ATOM 0 HE2 LYS A 32 92.906 2.120 12.573 1.00 0.00 H new ATOM 0 HE3 LYS A 32 93.773 0.824 11.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 94.075 3.153 10.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 93.692 1.941 9.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 92.494 3.025 10.236 1.00 0.00 H new ATOM 528 N HIS A 33 91.005 1.794 8.077 1.00 0.00 N ATOM 529 CA HIS A 33 91.266 3.260 8.021 1.00 0.00 C ATOM 530 C HIS A 33 90.557 3.870 6.799 1.00 0.00 C ATOM 531 O HIS A 33 90.293 5.055 6.759 1.00 0.00 O ATOM 532 CB HIS A 33 92.784 3.498 7.957 1.00 0.00 C ATOM 533 CG HIS A 33 93.165 4.162 6.663 1.00 0.00 C ATOM 534 ND1 HIS A 33 93.055 5.532 6.469 1.00 0.00 N ATOM 535 CD2 HIS A 33 93.663 3.655 5.492 1.00 0.00 C ATOM 536 CE1 HIS A 33 93.482 5.799 5.220 1.00 0.00 C ATOM 537 NE2 HIS A 33 93.863 4.690 4.585 1.00 0.00 N ATOM 0 H HIS A 33 91.690 1.211 7.595 1.00 0.00 H new ATOM 0 HA HIS A 33 90.873 3.744 8.915 1.00 0.00 H new ATOM 0 HB2 HIS A 33 93.095 4.120 8.796 1.00 0.00 H new ATOM 0 HB3 HIS A 33 93.310 2.548 8.053 1.00 0.00 H new ATOM 0 HD2 HIS A 33 93.869 2.612 5.302 1.00 0.00 H new ATOM 0 HE1 HIS A 33 93.512 6.788 4.787 1.00 0.00 H new ATOM 0 HE2 HIS A 33 94.225 4.616 3.634 1.00 0.00 H new ATOM 546 N THR A 34 90.240 3.073 5.806 1.00 0.00 N ATOM 547 CA THR A 34 89.543 3.621 4.598 1.00 0.00 C ATOM 548 C THR A 34 88.051 3.298 4.674 1.00 0.00 C ATOM 549 O THR A 34 87.268 3.761 3.869 1.00 0.00 O ATOM 550 CB THR A 34 90.106 2.980 3.324 1.00 0.00 C ATOM 551 OG1 THR A 34 89.991 1.568 3.417 1.00 0.00 O ATOM 552 CG2 THR A 34 91.574 3.362 3.144 1.00 0.00 C ATOM 0 H THR A 34 90.432 2.072 5.779 1.00 0.00 H new ATOM 0 HA THR A 34 89.699 4.699 4.571 1.00 0.00 H new ATOM 0 HB THR A 34 89.540 3.340 2.465 1.00 0.00 H new ATOM 0 HG1 THR A 34 90.812 1.198 3.804 1.00 0.00 H new ATOM 0 HG21 THR A 34 91.961 2.900 2.236 1.00 0.00 H new ATOM 0 HG22 THR A 34 91.661 4.446 3.066 1.00 0.00 H new ATOM 0 HG23 THR A 34 92.149 3.013 4.002 1.00 0.00 H new ATOM 560 N LYS A 35 87.650 2.496 5.619 1.00 0.00 N ATOM 561 CA LYS A 35 86.208 2.139 5.717 1.00 0.00 C ATOM 562 C LYS A 35 85.759 1.524 4.387 1.00 0.00 C ATOM 563 O LYS A 35 84.603 1.588 4.017 1.00 0.00 O ATOM 564 CB LYS A 35 85.385 3.398 6.005 1.00 0.00 C ATOM 565 CG LYS A 35 86.088 4.237 7.075 1.00 0.00 C ATOM 566 CD LYS A 35 86.351 3.374 8.312 1.00 0.00 C ATOM 567 CE LYS A 35 86.691 4.275 9.500 1.00 0.00 C ATOM 568 NZ LYS A 35 86.900 3.438 10.715 1.00 0.00 N ATOM 0 H LYS A 35 88.254 2.074 6.324 1.00 0.00 H new ATOM 0 HA LYS A 35 86.058 1.423 6.525 1.00 0.00 H new ATOM 0 HB2 LYS A 35 85.263 3.982 5.093 1.00 0.00 H new ATOM 0 HB3 LYS A 35 84.386 3.122 6.343 1.00 0.00 H new ATOM 0 HG2 LYS A 35 87.028 4.628 6.686 1.00 0.00 H new ATOM 0 HG3 LYS A 35 85.471 5.095 7.342 1.00 0.00 H new ATOM 0 HD2 LYS A 35 85.473 2.769 8.540 1.00 0.00 H new ATOM 0 HD3 LYS A 35 87.172 2.684 8.119 1.00 0.00 H new ATOM 0 HE2 LYS A 35 87.589 4.854 9.285 1.00 0.00 H new ATOM 0 HE3 LYS A 35 85.885 4.989 9.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 87.098 4.053 11.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 86.044 2.879 10.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 87.705 2.798 10.561 1.00 0.00 H new ATOM 582 N ARG A 36 86.674 0.935 3.663 1.00 0.00 N ATOM 583 CA ARG A 36 86.323 0.318 2.351 1.00 0.00 C ATOM 584 C ARG A 36 87.471 -0.595 1.906 1.00 0.00 C ATOM 585 O ARG A 36 88.618 -0.351 2.221 1.00 0.00 O ATOM 586 CB ARG A 36 86.109 1.428 1.319 1.00 0.00 C ATOM 587 CG ARG A 36 86.288 0.875 -0.101 1.00 0.00 C ATOM 588 CD ARG A 36 85.189 -0.141 -0.422 1.00 0.00 C ATOM 589 NE ARG A 36 84.513 0.249 -1.692 1.00 0.00 N ATOM 590 CZ ARG A 36 83.776 -0.618 -2.332 1.00 0.00 C ATOM 591 NH1 ARG A 36 83.632 -1.826 -1.860 1.00 0.00 N ATOM 592 NH2 ARG A 36 83.184 -0.277 -3.443 1.00 0.00 N ATOM 0 H ARG A 36 87.656 0.855 3.927 1.00 0.00 H new ATOM 0 HA ARG A 36 85.410 -0.270 2.443 1.00 0.00 H new ATOM 0 HB2 ARG A 36 85.110 1.849 1.430 1.00 0.00 H new ATOM 0 HB3 ARG A 36 86.817 2.238 1.493 1.00 0.00 H new ATOM 0 HG2 ARG A 36 86.259 1.692 -0.822 1.00 0.00 H new ATOM 0 HG3 ARG A 36 87.266 0.403 -0.193 1.00 0.00 H new ATOM 0 HD2 ARG A 36 85.617 -1.139 -0.516 1.00 0.00 H new ATOM 0 HD3 ARG A 36 84.465 -0.180 0.392 1.00 0.00 H new ATOM 0 HE ARG A 36 84.626 1.193 -2.061 1.00 0.00 H new ATOM 0 HH11 ARG A 36 84.095 -2.093 -0.991 1.00 0.00 H new ATOM 0 HH12 ARG A 36 83.056 -2.504 -2.360 1.00 0.00 H new ATOM 0 HH21 ARG A 36 83.297 0.667 -3.812 1.00 0.00 H new ATOM 0 HH22 ARG A 36 82.608 -0.955 -3.943 1.00 0.00 H new ATOM 606 N CYS A 37 87.184 -1.639 1.166 1.00 0.00 N ATOM 607 CA CYS A 37 88.278 -2.539 0.710 1.00 0.00 C ATOM 608 C CYS A 37 88.789 -2.072 -0.654 1.00 0.00 C ATOM 609 O CYS A 37 88.273 -2.441 -1.689 1.00 0.00 O ATOM 610 CB CYS A 37 87.750 -3.969 0.635 1.00 0.00 C ATOM 611 SG CYS A 37 87.448 -4.541 2.324 1.00 0.00 S ATOM 0 H CYS A 37 86.246 -1.902 0.863 1.00 0.00 H new ATOM 0 HA CYS A 37 89.108 -2.509 1.415 1.00 0.00 H new ATOM 0 HB2 CYS A 37 86.831 -4.006 0.050 1.00 0.00 H new ATOM 0 HB3 CYS A 37 88.472 -4.616 0.137 1.00 0.00 H new ATOM 616 N LYS A 38 89.798 -1.240 -0.629 1.00 0.00 N ATOM 617 CA LYS A 38 90.409 -0.678 -1.877 1.00 0.00 C ATOM 618 C LYS A 38 90.224 -1.604 -3.089 1.00 0.00 C ATOM 619 O LYS A 38 90.280 -1.152 -4.214 1.00 0.00 O ATOM 620 CB LYS A 38 91.911 -0.468 -1.639 1.00 0.00 C ATOM 621 CG LYS A 38 92.141 0.836 -0.863 1.00 0.00 C ATOM 622 CD LYS A 38 91.766 2.044 -1.738 1.00 0.00 C ATOM 623 CE LYS A 38 92.740 3.197 -1.476 1.00 0.00 C ATOM 624 NZ LYS A 38 92.968 3.331 -0.010 1.00 0.00 N ATOM 0 H LYS A 38 90.239 -0.915 0.232 1.00 0.00 H new ATOM 0 HA LYS A 38 89.905 0.263 -2.099 1.00 0.00 H new ATOM 0 HB2 LYS A 38 92.321 -1.310 -1.081 1.00 0.00 H new ATOM 0 HB3 LYS A 38 92.437 -0.431 -2.593 1.00 0.00 H new ATOM 0 HG2 LYS A 38 91.542 0.837 0.048 1.00 0.00 H new ATOM 0 HG3 LYS A 38 93.185 0.908 -0.558 1.00 0.00 H new ATOM 0 HD2 LYS A 38 91.794 1.764 -2.791 1.00 0.00 H new ATOM 0 HD3 LYS A 38 90.746 2.361 -1.519 1.00 0.00 H new ATOM 0 HE2 LYS A 38 93.685 3.012 -1.986 1.00 0.00 H new ATOM 0 HE3 LYS A 38 92.337 4.126 -1.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 93.253 4.307 0.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 92.090 3.104 0.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 93.720 2.676 0.286 1.00 0.00 H new ATOM 638 N ASP A 39 90.021 -2.883 -2.887 1.00 0.00 N ATOM 639 CA ASP A 39 89.848 -3.808 -4.048 1.00 0.00 C ATOM 640 C ASP A 39 91.222 -4.264 -4.545 1.00 0.00 C ATOM 641 O ASP A 39 91.363 -5.322 -5.123 1.00 0.00 O ATOM 642 CB ASP A 39 89.092 -3.111 -5.190 1.00 0.00 C ATOM 643 CG ASP A 39 88.302 -4.148 -5.993 1.00 0.00 C ATOM 644 OD1 ASP A 39 88.865 -5.185 -6.299 1.00 0.00 O ATOM 645 OD2 ASP A 39 87.147 -3.886 -6.287 1.00 0.00 O ATOM 0 H ASP A 39 89.968 -3.325 -1.969 1.00 0.00 H new ATOM 0 HA ASP A 39 89.267 -4.671 -3.724 1.00 0.00 H new ATOM 0 HB2 ASP A 39 88.416 -2.358 -4.785 1.00 0.00 H new ATOM 0 HB3 ASP A 39 89.795 -2.591 -5.841 1.00 0.00 H new ATOM 650 N LEU A 40 92.239 -3.474 -4.325 1.00 0.00 N ATOM 651 CA LEU A 40 93.603 -3.866 -4.786 1.00 0.00 C ATOM 652 C LEU A 40 94.647 -3.290 -3.822 1.00 0.00 C ATOM 653 O LEU A 40 94.533 -2.170 -3.363 1.00 0.00 O ATOM 654 CB LEU A 40 93.837 -3.315 -6.207 1.00 0.00 C ATOM 655 CG LEU A 40 94.234 -4.434 -7.186 1.00 0.00 C ATOM 656 CD1 LEU A 40 95.549 -5.099 -6.748 1.00 0.00 C ATOM 657 CD2 LEU A 40 93.115 -5.479 -7.257 1.00 0.00 C ATOM 0 H LEU A 40 92.184 -2.575 -3.846 1.00 0.00 H new ATOM 0 HA LEU A 40 93.692 -4.952 -4.804 1.00 0.00 H new ATOM 0 HB2 LEU A 40 92.931 -2.824 -6.562 1.00 0.00 H new ATOM 0 HB3 LEU A 40 94.621 -2.558 -6.181 1.00 0.00 H new ATOM 0 HG LEU A 40 94.384 -3.997 -8.173 1.00 0.00 H new ATOM 0 HD11 LEU A 40 95.811 -5.887 -7.454 1.00 0.00 H new ATOM 0 HD12 LEU A 40 96.344 -4.353 -6.725 1.00 0.00 H new ATOM 0 HD13 LEU A 40 95.426 -5.529 -5.754 1.00 0.00 H new ATOM 0 HD21 LEU A 40 93.399 -6.270 -7.951 1.00 0.00 H new ATOM 0 HD22 LEU A 40 92.952 -5.906 -6.267 1.00 0.00 H new ATOM 0 HD23 LEU A 40 92.196 -5.005 -7.603 1.00 0.00 H new ATOM 669 N ASN A 41 95.664 -4.049 -3.515 1.00 0.00 N ATOM 670 CA ASN A 41 96.719 -3.556 -2.584 1.00 0.00 C ATOM 671 C ASN A 41 98.038 -4.244 -2.918 1.00 0.00 C ATOM 672 O ASN A 41 98.137 -5.453 -2.923 1.00 0.00 O ATOM 673 CB ASN A 41 96.316 -3.871 -1.146 1.00 0.00 C ATOM 674 CG ASN A 41 94.999 -3.158 -0.837 1.00 0.00 C ATOM 675 OD1 ASN A 41 93.939 -3.734 -0.966 1.00 0.00 O ATOM 676 ND2 ASN A 41 95.021 -1.915 -0.441 1.00 0.00 N ATOM 0 H ASN A 41 95.810 -4.994 -3.871 1.00 0.00 H new ATOM 0 HA ASN A 41 96.835 -2.478 -2.692 1.00 0.00 H new ATOM 0 HB2 ASN A 41 96.203 -4.947 -1.013 1.00 0.00 H new ATOM 0 HB3 ASN A 41 97.094 -3.544 -0.456 1.00 0.00 H new ATOM 0 HD21 ASN A 41 94.147 -1.428 -0.240 1.00 0.00 H new ATOM 0 HD22 ASN A 41 95.912 -1.430 -0.332 1.00 0.00 H new ATOM 683 N THR A 42 99.050 -3.479 -3.210 1.00 0.00 N ATOM 684 CA THR A 42 100.367 -4.076 -3.561 1.00 0.00 C ATOM 685 C THR A 42 101.314 -3.964 -2.365 1.00 0.00 C ATOM 686 O THR A 42 101.196 -3.080 -1.544 1.00 0.00 O ATOM 687 CB THR A 42 100.954 -3.320 -4.764 1.00 0.00 C ATOM 688 OG1 THR A 42 100.345 -2.040 -4.851 1.00 0.00 O ATOM 689 CG2 THR A 42 100.687 -4.091 -6.062 1.00 0.00 C ATOM 0 H THR A 42 99.022 -2.459 -3.221 1.00 0.00 H new ATOM 0 HA THR A 42 100.241 -5.128 -3.817 1.00 0.00 H new ATOM 0 HB THR A 42 102.031 -3.218 -4.627 1.00 0.00 H new ATOM 0 HG1 THR A 42 100.952 -1.363 -4.484 1.00 0.00 H new ATOM 0 HG21 THR A 42 101.109 -3.543 -6.904 1.00 0.00 H new ATOM 0 HG22 THR A 42 101.150 -5.076 -6.002 1.00 0.00 H new ATOM 0 HG23 THR A 42 99.612 -4.203 -6.204 1.00 0.00 H new ATOM 697 N PHE A 43 102.253 -4.861 -2.267 1.00 0.00 N ATOM 698 CA PHE A 43 103.226 -4.822 -1.138 1.00 0.00 C ATOM 699 C PHE A 43 104.627 -5.071 -1.712 1.00 0.00 C ATOM 700 O PHE A 43 104.765 -5.638 -2.773 1.00 0.00 O ATOM 701 CB PHE A 43 102.873 -5.913 -0.115 1.00 0.00 C ATOM 702 CG PHE A 43 101.531 -5.613 0.528 1.00 0.00 C ATOM 703 CD1 PHE A 43 100.352 -5.727 -0.220 1.00 0.00 C ATOM 704 CD2 PHE A 43 101.463 -5.227 1.875 1.00 0.00 C ATOM 705 CE1 PHE A 43 99.114 -5.455 0.373 1.00 0.00 C ATOM 706 CE2 PHE A 43 100.223 -4.955 2.467 1.00 0.00 C ATOM 707 CZ PHE A 43 99.050 -5.070 1.715 1.00 0.00 C ATOM 0 H PHE A 43 102.391 -5.627 -2.926 1.00 0.00 H new ATOM 0 HA PHE A 43 103.193 -3.855 -0.637 1.00 0.00 H new ATOM 0 HB2 PHE A 43 102.840 -6.886 -0.606 1.00 0.00 H new ATOM 0 HB3 PHE A 43 103.647 -5.968 0.650 1.00 0.00 H new ATOM 0 HD1 PHE A 43 100.399 -6.026 -1.257 1.00 0.00 H new ATOM 0 HD2 PHE A 43 102.369 -5.139 2.457 1.00 0.00 H new ATOM 0 HE1 PHE A 43 98.207 -5.543 -0.207 1.00 0.00 H new ATOM 0 HE2 PHE A 43 100.173 -4.657 3.504 1.00 0.00 H new ATOM 0 HZ PHE A 43 98.094 -4.861 2.171 1.00 0.00 H new ATOM 717 N LEU A 44 105.665 -4.655 -1.031 1.00 0.00 N ATOM 718 CA LEU A 44 107.051 -4.877 -1.555 1.00 0.00 C ATOM 719 C LEU A 44 107.816 -5.738 -0.542 1.00 0.00 C ATOM 720 O LEU A 44 107.510 -5.716 0.632 1.00 0.00 O ATOM 721 CB LEU A 44 107.750 -3.522 -1.762 1.00 0.00 C ATOM 722 CG LEU A 44 106.905 -2.643 -2.697 1.00 0.00 C ATOM 723 CD1 LEU A 44 107.622 -1.314 -2.968 1.00 0.00 C ATOM 724 CD2 LEU A 44 106.696 -3.374 -4.021 1.00 0.00 C ATOM 0 H LEU A 44 105.614 -4.171 -0.135 1.00 0.00 H new ATOM 0 HA LEU A 44 107.020 -5.390 -2.516 1.00 0.00 H new ATOM 0 HB2 LEU A 44 107.888 -3.022 -0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 44 108.742 -3.674 -2.188 1.00 0.00 H new ATOM 0 HG LEU A 44 105.945 -2.442 -2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 44 107.013 -0.701 -3.632 1.00 0.00 H new ATOM 0 HD12 LEU A 44 107.778 -0.786 -2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 44 108.586 -1.510 -3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 44 106.097 -2.754 -4.688 1.00 0.00 H new ATOM 0 HD22 LEU A 44 107.663 -3.574 -4.483 1.00 0.00 H new ATOM 0 HD23 LEU A 44 106.179 -4.316 -3.839 1.00 0.00 H new ATOM 736 N HIS A 45 108.790 -6.515 -0.971 1.00 0.00 N ATOM 737 CA HIS A 45 109.524 -7.385 0.014 1.00 0.00 C ATOM 738 C HIS A 45 110.948 -6.894 0.213 1.00 0.00 C ATOM 739 O HIS A 45 111.904 -7.542 -0.165 1.00 0.00 O ATOM 740 CB HIS A 45 109.563 -8.837 -0.471 1.00 0.00 C ATOM 741 CG HIS A 45 109.788 -9.753 0.703 1.00 0.00 C ATOM 742 ND1 HIS A 45 111.050 -9.970 1.239 1.00 0.00 N ATOM 743 CD2 HIS A 45 108.925 -10.514 1.453 1.00 0.00 C ATOM 744 CE1 HIS A 45 110.912 -10.830 2.266 1.00 0.00 C ATOM 745 NE2 HIS A 45 109.639 -11.190 2.436 1.00 0.00 N ATOM 0 H HIS A 45 109.104 -6.585 -1.939 1.00 0.00 H new ATOM 0 HA HIS A 45 108.988 -7.332 0.962 1.00 0.00 H new ATOM 0 HB2 HIS A 45 108.627 -9.090 -0.969 1.00 0.00 H new ATOM 0 HB3 HIS A 45 110.359 -8.965 -1.204 1.00 0.00 H new ATOM 0 HD1 HIS A 45 111.923 -9.554 0.914 1.00 0.00 H new ATOM 0 HD2 HIS A 45 107.857 -10.577 1.303 1.00 0.00 H new ATOM 0 HE1 HIS A 45 111.730 -11.184 2.876 1.00 0.00 H new ATOM 754 N GLU A 46 111.095 -5.767 0.827 1.00 0.00 N ATOM 755 CA GLU A 46 112.452 -5.236 1.085 1.00 0.00 C ATOM 756 C GLU A 46 112.384 -4.421 2.383 1.00 0.00 C ATOM 757 O GLU A 46 111.480 -3.634 2.565 1.00 0.00 O ATOM 758 CB GLU A 46 112.871 -4.364 -0.103 1.00 0.00 C ATOM 759 CG GLU A 46 114.313 -3.890 0.078 1.00 0.00 C ATOM 760 CD GLU A 46 115.277 -5.028 -0.265 1.00 0.00 C ATOM 761 OE1 GLU A 46 114.975 -5.780 -1.177 1.00 0.00 O ATOM 762 OE2 GLU A 46 116.301 -5.128 0.391 1.00 0.00 O ATOM 0 H GLU A 46 110.329 -5.184 1.165 1.00 0.00 H new ATOM 0 HA GLU A 46 113.189 -6.031 1.196 1.00 0.00 H new ATOM 0 HB2 GLU A 46 112.779 -4.930 -1.030 1.00 0.00 H new ATOM 0 HB3 GLU A 46 112.205 -3.505 -0.187 1.00 0.00 H new ATOM 0 HG2 GLU A 46 114.507 -3.031 -0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 46 114.472 -3.563 1.105 1.00 0.00 H new ATOM 769 N PRO A 47 113.295 -4.623 3.306 1.00 0.00 N ATOM 770 CA PRO A 47 113.261 -3.888 4.599 1.00 0.00 C ATOM 771 C PRO A 47 113.240 -2.373 4.399 1.00 0.00 C ATOM 772 O PRO A 47 114.055 -1.815 3.694 1.00 0.00 O ATOM 773 CB PRO A 47 114.529 -4.323 5.345 1.00 0.00 C ATOM 774 CG PRO A 47 115.358 -5.099 4.364 1.00 0.00 C ATOM 775 CD PRO A 47 114.433 -5.550 3.231 1.00 0.00 C ATOM 0 HA PRO A 47 112.354 -4.120 5.157 1.00 0.00 H new ATOM 0 HB2 PRO A 47 115.077 -3.457 5.716 1.00 0.00 H new ATOM 0 HB3 PRO A 47 114.278 -4.936 6.211 1.00 0.00 H new ATOM 0 HG2 PRO A 47 116.168 -4.482 3.975 1.00 0.00 H new ATOM 0 HG3 PRO A 47 115.818 -5.960 4.848 1.00 0.00 H new ATOM 0 HD2 PRO A 47 114.931 -5.492 2.263 1.00 0.00 H new ATOM 0 HD3 PRO A 47 114.114 -6.584 3.364 1.00 0.00 H new ATOM 783 N PHE A 48 112.299 -1.713 5.015 1.00 0.00 N ATOM 784 CA PHE A 48 112.186 -0.232 4.882 1.00 0.00 C ATOM 785 C PHE A 48 113.568 0.403 4.922 1.00 0.00 C ATOM 786 O PHE A 48 113.751 1.506 4.483 1.00 0.00 O ATOM 787 CB PHE A 48 111.317 0.298 6.015 1.00 0.00 C ATOM 788 CG PHE A 48 110.276 -0.756 6.316 1.00 0.00 C ATOM 789 CD1 PHE A 48 109.508 -1.282 5.268 1.00 0.00 C ATOM 790 CD2 PHE A 48 110.098 -1.232 7.620 1.00 0.00 C ATOM 791 CE1 PHE A 48 108.561 -2.276 5.523 1.00 0.00 C ATOM 792 CE2 PHE A 48 109.151 -2.234 7.874 1.00 0.00 C ATOM 793 CZ PHE A 48 108.383 -2.754 6.825 1.00 0.00 C ATOM 0 H PHE A 48 111.593 -2.142 5.613 1.00 0.00 H new ATOM 0 HA PHE A 48 111.726 0.021 3.927 1.00 0.00 H new ATOM 0 HB2 PHE A 48 111.921 0.504 6.898 1.00 0.00 H new ATOM 0 HB3 PHE A 48 110.842 1.236 5.728 1.00 0.00 H new ATOM 0 HD1 PHE A 48 109.649 -0.918 4.261 1.00 0.00 H new ATOM 0 HD2 PHE A 48 110.689 -0.828 8.429 1.00 0.00 H new ATOM 0 HE1 PHE A 48 107.966 -2.675 4.715 1.00 0.00 H new ATOM 0 HE2 PHE A 48 109.014 -2.605 8.879 1.00 0.00 H new ATOM 0 HZ PHE A 48 107.653 -3.525 7.022 1.00 0.00 H new ATOM 803 N SER A 49 114.545 -0.288 5.430 1.00 0.00 N ATOM 804 CA SER A 49 115.915 0.285 5.462 1.00 0.00 C ATOM 805 C SER A 49 116.494 0.224 4.047 1.00 0.00 C ATOM 806 O SER A 49 117.180 1.127 3.601 1.00 0.00 O ATOM 807 CB SER A 49 116.792 -0.531 6.413 1.00 0.00 C ATOM 808 OG SER A 49 116.125 -0.674 7.660 1.00 0.00 O ATOM 0 H SER A 49 114.455 -1.224 5.824 1.00 0.00 H new ATOM 0 HA SER A 49 115.883 1.317 5.811 1.00 0.00 H new ATOM 0 HB2 SER A 49 117.000 -1.511 5.984 1.00 0.00 H new ATOM 0 HB3 SER A 49 117.752 -0.036 6.556 1.00 0.00 H new ATOM 0 HG SER A 49 116.683 -1.198 8.272 1.00 0.00 H new ATOM 814 N SER A 50 116.198 -0.826 3.322 1.00 0.00 N ATOM 815 CA SER A 50 116.711 -0.934 1.930 1.00 0.00 C ATOM 816 C SER A 50 115.728 -0.215 1.010 1.00 0.00 C ATOM 817 O SER A 50 116.118 0.502 0.116 1.00 0.00 O ATOM 818 CB SER A 50 116.840 -2.407 1.536 1.00 0.00 C ATOM 819 OG SER A 50 118.207 -2.791 1.608 1.00 0.00 O ATOM 0 H SER A 50 115.625 -1.609 3.636 1.00 0.00 H new ATOM 0 HA SER A 50 117.697 -0.477 1.848 1.00 0.00 H new ATOM 0 HB2 SER A 50 116.240 -3.028 2.201 1.00 0.00 H new ATOM 0 HB3 SER A 50 116.459 -2.561 0.526 1.00 0.00 H new ATOM 0 HG SER A 50 118.279 -3.764 1.516 1.00 0.00 H new ATOM 825 N VAL A 51 114.453 -0.369 1.250 1.00 0.00 N ATOM 826 CA VAL A 51 113.455 0.352 0.413 1.00 0.00 C ATOM 827 C VAL A 51 113.665 1.835 0.684 1.00 0.00 C ATOM 828 O VAL A 51 113.491 2.680 -0.171 1.00 0.00 O ATOM 829 CB VAL A 51 112.030 -0.051 0.822 1.00 0.00 C ATOM 830 CG1 VAL A 51 111.118 -0.061 -0.409 1.00 0.00 C ATOM 831 CG2 VAL A 51 112.052 -1.448 1.447 1.00 0.00 C ATOM 0 H VAL A 51 114.063 -0.959 1.985 1.00 0.00 H new ATOM 0 HA VAL A 51 113.580 0.113 -0.643 1.00 0.00 H new ATOM 0 HB VAL A 51 111.650 0.669 1.547 1.00 0.00 H new ATOM 0 HG11 VAL A 51 110.109 -0.348 -0.112 1.00 0.00 H new ATOM 0 HG12 VAL A 51 111.097 0.934 -0.854 1.00 0.00 H new ATOM 0 HG13 VAL A 51 111.499 -0.776 -1.138 1.00 0.00 H new ATOM 0 HG21 VAL A 51 111.041 -1.733 1.737 1.00 0.00 H new ATOM 0 HG22 VAL A 51 112.437 -2.165 0.722 1.00 0.00 H new ATOM 0 HG23 VAL A 51 112.694 -1.442 2.328 1.00 0.00 H new ATOM 841 N ALA A 52 114.068 2.140 1.890 1.00 0.00 N ATOM 842 CA ALA A 52 114.332 3.549 2.267 1.00 0.00 C ATOM 843 C ALA A 52 115.410 4.084 1.330 1.00 0.00 C ATOM 844 O ALA A 52 115.228 5.074 0.649 1.00 0.00 O ATOM 845 CB ALA A 52 114.838 3.607 3.711 1.00 0.00 C ATOM 0 H ALA A 52 114.226 1.461 2.634 1.00 0.00 H new ATOM 0 HA ALA A 52 113.422 4.144 2.188 1.00 0.00 H new ATOM 0 HB1 ALA A 52 115.032 4.643 3.987 1.00 0.00 H new ATOM 0 HB2 ALA A 52 114.084 3.189 4.378 1.00 0.00 H new ATOM 0 HB3 ALA A 52 115.759 3.030 3.797 1.00 0.00 H new ATOM 851 N ALA A 53 116.533 3.414 1.278 1.00 0.00 N ATOM 852 CA ALA A 53 117.623 3.860 0.369 1.00 0.00 C ATOM 853 C ALA A 53 117.129 3.741 -1.070 1.00 0.00 C ATOM 854 O ALA A 53 117.488 4.522 -1.928 1.00 0.00 O ATOM 855 CB ALA A 53 118.855 2.974 0.566 1.00 0.00 C ATOM 0 H ALA A 53 116.739 2.579 1.826 1.00 0.00 H new ATOM 0 HA ALA A 53 117.894 4.893 0.588 1.00 0.00 H new ATOM 0 HB1 ALA A 53 119.651 3.304 -0.102 1.00 0.00 H new ATOM 0 HB2 ALA A 53 119.194 3.047 1.599 1.00 0.00 H new ATOM 0 HB3 ALA A 53 118.598 1.939 0.341 1.00 0.00 H new ATOM 861 N THR A 54 116.290 2.776 -1.335 1.00 0.00 N ATOM 862 CA THR A 54 115.754 2.620 -2.711 1.00 0.00 C ATOM 863 C THR A 54 115.011 3.900 -3.064 1.00 0.00 C ATOM 864 O THR A 54 115.019 4.350 -4.193 1.00 0.00 O ATOM 865 CB THR A 54 114.785 1.426 -2.768 1.00 0.00 C ATOM 866 OG1 THR A 54 115.391 0.300 -2.151 1.00 0.00 O ATOM 867 CG2 THR A 54 114.454 1.091 -4.225 1.00 0.00 C ATOM 0 H THR A 54 115.955 2.092 -0.657 1.00 0.00 H new ATOM 0 HA THR A 54 116.565 2.437 -3.416 1.00 0.00 H new ATOM 0 HB THR A 54 113.865 1.684 -2.243 1.00 0.00 H new ATOM 0 HG1 THR A 54 115.522 0.481 -1.197 1.00 0.00 H new ATOM 0 HG21 THR A 54 113.768 0.245 -4.257 1.00 0.00 H new ATOM 0 HG22 THR A 54 113.988 1.954 -4.700 1.00 0.00 H new ATOM 0 HG23 THR A 54 115.370 0.835 -4.757 1.00 0.00 H new ATOM 875 N CYS A 55 114.376 4.508 -2.098 1.00 0.00 N ATOM 876 CA CYS A 55 113.647 5.761 -2.389 1.00 0.00 C ATOM 877 C CYS A 55 114.643 6.918 -2.445 1.00 0.00 C ATOM 878 O CYS A 55 114.303 8.060 -2.206 1.00 0.00 O ATOM 879 CB CYS A 55 112.588 6.012 -1.315 1.00 0.00 C ATOM 880 SG CYS A 55 111.204 6.915 -2.051 1.00 0.00 S ATOM 0 H CYS A 55 114.334 4.189 -1.130 1.00 0.00 H new ATOM 0 HA CYS A 55 113.142 5.678 -3.351 1.00 0.00 H new ATOM 0 HB2 CYS A 55 112.242 5.066 -0.900 1.00 0.00 H new ATOM 0 HB3 CYS A 55 113.015 6.584 -0.492 1.00 0.00 H new ATOM 885 N GLN A 56 115.876 6.621 -2.765 1.00 0.00 N ATOM 886 CA GLN A 56 116.917 7.686 -2.848 1.00 0.00 C ATOM 887 C GLN A 56 117.507 7.719 -4.262 1.00 0.00 C ATOM 888 O GLN A 56 118.236 8.625 -4.614 1.00 0.00 O ATOM 889 CB GLN A 56 118.029 7.386 -1.840 1.00 0.00 C ATOM 890 CG GLN A 56 118.902 8.630 -1.657 1.00 0.00 C ATOM 891 CD GLN A 56 119.935 8.371 -0.559 1.00 0.00 C ATOM 892 OE1 GLN A 56 121.123 8.369 -0.814 1.00 0.00 O ATOM 893 NE2 GLN A 56 119.530 8.151 0.662 1.00 0.00 N ATOM 0 H GLN A 56 116.208 5.679 -2.974 1.00 0.00 H new ATOM 0 HA GLN A 56 116.467 8.653 -2.621 1.00 0.00 H new ATOM 0 HB2 GLN A 56 117.597 7.088 -0.884 1.00 0.00 H new ATOM 0 HB3 GLN A 56 118.636 6.551 -2.190 1.00 0.00 H new ATOM 0 HG2 GLN A 56 119.404 8.876 -2.593 1.00 0.00 H new ATOM 0 HG3 GLN A 56 118.282 9.487 -1.393 1.00 0.00 H new ATOM 0 HE21 GLN A 56 118.533 8.153 0.877 1.00 0.00 H new ATOM 0 HE22 GLN A 56 120.211 7.978 1.402 1.00 0.00 H new ATOM 902 N THR A 57 117.202 6.744 -5.081 1.00 0.00 N ATOM 903 CA THR A 57 117.762 6.749 -6.469 1.00 0.00 C ATOM 904 C THR A 57 117.060 7.835 -7.291 1.00 0.00 C ATOM 905 O THR A 57 115.971 8.259 -6.964 1.00 0.00 O ATOM 906 CB THR A 57 117.541 5.380 -7.132 1.00 0.00 C ATOM 907 OG1 THR A 57 117.140 5.564 -8.483 1.00 0.00 O ATOM 908 CG2 THR A 57 116.455 4.609 -6.385 1.00 0.00 C ATOM 0 H THR A 57 116.598 5.954 -4.854 1.00 0.00 H new ATOM 0 HA THR A 57 118.832 6.952 -6.425 1.00 0.00 H new ATOM 0 HB THR A 57 118.473 4.815 -7.099 1.00 0.00 H new ATOM 0 HG1 THR A 57 117.001 4.690 -8.905 1.00 0.00 H new ATOM 0 HG21 THR A 57 116.304 3.640 -6.861 1.00 0.00 H new ATOM 0 HG22 THR A 57 116.761 4.461 -5.349 1.00 0.00 H new ATOM 0 HG23 THR A 57 115.524 5.175 -6.411 1.00 0.00 H new ATOM 916 N PRO A 58 117.679 8.281 -8.355 1.00 0.00 N ATOM 917 CA PRO A 58 117.105 9.329 -9.237 1.00 0.00 C ATOM 918 C PRO A 58 115.580 9.222 -9.334 1.00 0.00 C ATOM 919 O PRO A 58 115.047 8.255 -9.842 1.00 0.00 O ATOM 920 CB PRO A 58 117.767 9.038 -10.581 1.00 0.00 C ATOM 921 CG PRO A 58 119.112 8.470 -10.238 1.00 0.00 C ATOM 922 CD PRO A 58 118.995 7.837 -8.840 1.00 0.00 C ATOM 0 HA PRO A 58 117.288 10.339 -8.871 1.00 0.00 H new ATOM 0 HB2 PRO A 58 117.178 8.332 -11.166 1.00 0.00 H new ATOM 0 HB3 PRO A 58 117.862 9.945 -11.178 1.00 0.00 H new ATOM 0 HG2 PRO A 58 119.414 7.725 -10.974 1.00 0.00 H new ATOM 0 HG3 PRO A 58 119.873 9.251 -10.244 1.00 0.00 H new ATOM 0 HD2 PRO A 58 119.056 6.750 -8.888 1.00 0.00 H new ATOM 0 HD3 PRO A 58 119.797 8.173 -8.182 1.00 0.00 H new ATOM 930 N LYS A 59 114.874 10.199 -8.834 1.00 0.00 N ATOM 931 CA LYS A 59 113.386 10.141 -8.879 1.00 0.00 C ATOM 932 C LYS A 59 112.880 10.543 -10.265 1.00 0.00 C ATOM 933 O LYS A 59 113.597 10.490 -11.245 1.00 0.00 O ATOM 934 CB LYS A 59 112.803 11.090 -7.827 1.00 0.00 C ATOM 935 CG LYS A 59 113.481 12.462 -7.925 1.00 0.00 C ATOM 936 CD LYS A 59 114.546 12.588 -6.833 1.00 0.00 C ATOM 937 CE LYS A 59 115.509 13.724 -7.183 1.00 0.00 C ATOM 938 NZ LYS A 59 116.365 13.313 -8.332 1.00 0.00 N ATOM 0 H LYS A 59 115.263 11.034 -8.397 1.00 0.00 H new ATOM 0 HA LYS A 59 113.067 9.120 -8.669 1.00 0.00 H new ATOM 0 HB2 LYS A 59 111.728 11.195 -7.976 1.00 0.00 H new ATOM 0 HB3 LYS A 59 112.948 10.674 -6.830 1.00 0.00 H new ATOM 0 HG2 LYS A 59 113.937 12.584 -8.907 1.00 0.00 H new ATOM 0 HG3 LYS A 59 112.740 13.254 -7.817 1.00 0.00 H new ATOM 0 HD2 LYS A 59 114.073 12.783 -5.870 1.00 0.00 H new ATOM 0 HD3 LYS A 59 115.094 11.651 -6.735 1.00 0.00 H new ATOM 0 HE2 LYS A 59 114.949 14.624 -7.436 1.00 0.00 H new ATOM 0 HE3 LYS A 59 116.131 13.967 -6.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 117.202 13.929 -8.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 116.668 12.326 -8.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 115.823 13.397 -9.216 1.00 0.00 H new ATOM 952 N ILE A 60 111.637 10.932 -10.349 1.00 0.00 N ATOM 953 CA ILE A 60 111.051 11.326 -11.659 1.00 0.00 C ATOM 954 C ILE A 60 109.878 12.278 -11.412 1.00 0.00 C ATOM 955 O ILE A 60 109.204 12.190 -10.406 1.00 0.00 O ATOM 956 CB ILE A 60 110.546 10.069 -12.392 1.00 0.00 C ATOM 957 CG1 ILE A 60 110.404 8.906 -11.389 1.00 0.00 C ATOM 958 CG2 ILE A 60 111.539 9.676 -13.491 1.00 0.00 C ATOM 959 CD1 ILE A 60 109.234 8.002 -11.789 1.00 0.00 C ATOM 0 H ILE A 60 110.997 10.994 -9.557 1.00 0.00 H new ATOM 0 HA ILE A 60 111.806 11.821 -12.269 1.00 0.00 H new ATOM 0 HB ILE A 60 109.576 10.282 -12.841 1.00 0.00 H new ATOM 0 HG12 ILE A 60 111.327 8.327 -11.360 1.00 0.00 H new ATOM 0 HG13 ILE A 60 110.242 9.299 -10.385 1.00 0.00 H new ATOM 0 HG21 ILE A 60 111.178 8.786 -14.007 1.00 0.00 H new ATOM 0 HG22 ILE A 60 111.635 10.495 -14.204 1.00 0.00 H new ATOM 0 HG23 ILE A 60 112.511 9.467 -13.045 1.00 0.00 H new ATOM 0 HD11 ILE A 60 109.144 7.185 -11.073 1.00 0.00 H new ATOM 0 HD12 ILE A 60 108.311 8.582 -11.795 1.00 0.00 H new ATOM 0 HD13 ILE A 60 109.413 7.595 -12.784 1.00 0.00 H new ATOM 971 N ALA A 61 109.626 13.185 -12.319 1.00 0.00 N ATOM 972 CA ALA A 61 108.494 14.137 -12.124 1.00 0.00 C ATOM 973 C ALA A 61 107.233 13.362 -11.747 1.00 0.00 C ATOM 974 O ALA A 61 106.411 13.045 -12.584 1.00 0.00 O ATOM 975 CB ALA A 61 108.239 14.913 -13.416 1.00 0.00 C ATOM 0 H ALA A 61 110.153 13.307 -13.183 1.00 0.00 H new ATOM 0 HA ALA A 61 108.750 14.835 -11.326 1.00 0.00 H new ATOM 0 HB1 ALA A 61 107.411 15.606 -13.267 1.00 0.00 H new ATOM 0 HB2 ALA A 61 109.135 15.471 -13.688 1.00 0.00 H new ATOM 0 HB3 ALA A 61 107.989 14.216 -14.216 1.00 0.00 H new ATOM 981 N CYS A 62 107.074 13.056 -10.490 1.00 0.00 N ATOM 982 CA CYS A 62 105.868 12.305 -10.047 1.00 0.00 C ATOM 983 C CYS A 62 104.623 12.909 -10.695 1.00 0.00 C ATOM 984 O CYS A 62 104.226 12.527 -11.778 1.00 0.00 O ATOM 985 CB CYS A 62 105.748 12.410 -8.529 1.00 0.00 C ATOM 986 SG CYS A 62 107.112 11.516 -7.757 1.00 0.00 S ATOM 0 H CYS A 62 107.731 13.295 -9.747 1.00 0.00 H new ATOM 0 HA CYS A 62 105.958 11.259 -10.341 1.00 0.00 H new ATOM 0 HB2 CYS A 62 105.765 13.456 -8.223 1.00 0.00 H new ATOM 0 HB3 CYS A 62 104.795 11.997 -8.199 1.00 0.00 H new ATOM 991 N LYS A 63 104.007 13.852 -10.041 1.00 0.00 N ATOM 992 CA LYS A 63 102.790 14.484 -10.618 1.00 0.00 C ATOM 993 C LYS A 63 103.124 15.056 -11.994 1.00 0.00 C ATOM 994 O LYS A 63 102.778 14.498 -13.016 1.00 0.00 O ATOM 995 CB LYS A 63 102.318 15.612 -9.698 1.00 0.00 C ATOM 996 CG LYS A 63 101.616 15.018 -8.476 1.00 0.00 C ATOM 997 CD LYS A 63 101.174 16.146 -7.542 1.00 0.00 C ATOM 998 CE LYS A 63 100.313 15.569 -6.416 1.00 0.00 C ATOM 999 NZ LYS A 63 100.886 14.268 -5.969 1.00 0.00 N ATOM 0 H LYS A 63 104.294 14.213 -9.131 1.00 0.00 H new ATOM 0 HA LYS A 63 102.000 13.739 -10.713 1.00 0.00 H new ATOM 0 HB2 LYS A 63 103.168 16.218 -9.383 1.00 0.00 H new ATOM 0 HB3 LYS A 63 101.638 16.273 -10.235 1.00 0.00 H new ATOM 0 HG2 LYS A 63 100.752 14.431 -8.789 1.00 0.00 H new ATOM 0 HG3 LYS A 63 102.289 14.340 -7.951 1.00 0.00 H new ATOM 0 HD2 LYS A 63 102.046 16.650 -7.125 1.00 0.00 H new ATOM 0 HD3 LYS A 63 100.609 16.894 -8.099 1.00 0.00 H new ATOM 0 HE2 LYS A 63 100.273 16.267 -5.580 1.00 0.00 H new ATOM 0 HE3 LYS A 63 99.289 15.428 -6.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 100.519 14.033 -5.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 100.616 13.521 -6.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 101.923 14.340 -5.930 1.00 0.00 H new ATOM 1013 N ASN A 64 103.799 16.165 -12.017 1.00 0.00 N ATOM 1014 CA ASN A 64 104.177 16.797 -13.310 1.00 0.00 C ATOM 1015 C ASN A 64 105.455 17.595 -13.085 1.00 0.00 C ATOM 1016 O ASN A 64 105.721 18.578 -13.748 1.00 0.00 O ATOM 1017 CB ASN A 64 103.063 17.737 -13.764 1.00 0.00 C ATOM 1018 CG ASN A 64 101.921 16.923 -14.376 1.00 0.00 C ATOM 1019 OD1 ASN A 64 102.131 16.151 -15.290 1.00 0.00 O ATOM 1020 ND2 ASN A 64 100.712 17.064 -13.906 1.00 0.00 N ATOM 0 H ASN A 64 104.110 16.669 -11.186 1.00 0.00 H new ATOM 0 HA ASN A 64 104.331 16.036 -14.075 1.00 0.00 H new ATOM 0 HB2 ASN A 64 102.696 18.318 -12.918 1.00 0.00 H new ATOM 0 HB3 ASN A 64 103.449 18.448 -14.495 1.00 0.00 H new ATOM 0 HD21 ASN A 64 99.943 16.526 -14.306 1.00 0.00 H new ATOM 0 HD22 ASN A 64 100.536 17.712 -13.138 1.00 0.00 H new ATOM 1027 N GLY A 65 106.238 17.175 -12.136 1.00 0.00 N ATOM 1028 CA GLY A 65 107.503 17.892 -11.826 1.00 0.00 C ATOM 1029 C GLY A 65 107.769 17.803 -10.323 1.00 0.00 C ATOM 1030 O GLY A 65 108.647 18.460 -9.802 1.00 0.00 O ATOM 0 H GLY A 65 106.054 16.357 -11.555 1.00 0.00 H new ATOM 0 HA2 GLY A 65 108.331 17.452 -12.382 1.00 0.00 H new ATOM 0 HA3 GLY A 65 107.430 18.935 -12.135 1.00 0.00 H new ATOM 1034 N ASP A 66 107.017 16.996 -9.618 1.00 0.00 N ATOM 1035 CA ASP A 66 107.240 16.873 -8.148 1.00 0.00 C ATOM 1036 C ASP A 66 108.601 16.221 -7.899 1.00 0.00 C ATOM 1037 O ASP A 66 109.359 16.645 -7.049 1.00 0.00 O ATOM 1038 CB ASP A 66 106.135 16.004 -7.533 1.00 0.00 C ATOM 1039 CG ASP A 66 105.249 16.855 -6.618 1.00 0.00 C ATOM 1040 OD1 ASP A 66 104.856 17.931 -7.040 1.00 0.00 O ATOM 1041 OD2 ASP A 66 104.979 16.417 -5.512 1.00 0.00 O ATOM 0 H ASP A 66 106.263 16.421 -9.995 1.00 0.00 H new ATOM 0 HA ASP A 66 107.218 17.862 -7.690 1.00 0.00 H new ATOM 0 HB2 ASP A 66 105.532 15.555 -8.322 1.00 0.00 H new ATOM 0 HB3 ASP A 66 106.578 15.185 -6.966 1.00 0.00 H new ATOM 1046 N LYS A 67 108.913 15.189 -8.632 1.00 0.00 N ATOM 1047 CA LYS A 67 110.221 14.505 -8.436 1.00 0.00 C ATOM 1048 C LYS A 67 110.252 13.866 -7.044 1.00 0.00 C ATOM 1049 O LYS A 67 111.213 14.002 -6.313 1.00 0.00 O ATOM 1050 CB LYS A 67 111.364 15.528 -8.564 1.00 0.00 C ATOM 1051 CG LYS A 67 110.969 16.644 -9.544 1.00 0.00 C ATOM 1052 CD LYS A 67 112.208 17.130 -10.308 1.00 0.00 C ATOM 1053 CE LYS A 67 112.459 16.226 -11.518 1.00 0.00 C ATOM 1054 NZ LYS A 67 113.866 16.393 -11.980 1.00 0.00 N ATOM 0 H LYS A 67 108.319 14.790 -9.358 1.00 0.00 H new ATOM 0 HA LYS A 67 110.347 13.732 -9.194 1.00 0.00 H new ATOM 0 HB2 LYS A 67 111.591 15.955 -7.587 1.00 0.00 H new ATOM 0 HB3 LYS A 67 112.269 15.031 -8.913 1.00 0.00 H new ATOM 0 HG2 LYS A 67 110.220 16.276 -10.245 1.00 0.00 H new ATOM 0 HG3 LYS A 67 110.517 17.474 -9.001 1.00 0.00 H new ATOM 0 HD2 LYS A 67 112.064 18.160 -10.635 1.00 0.00 H new ATOM 0 HD3 LYS A 67 113.078 17.123 -9.651 1.00 0.00 H new ATOM 0 HE2 LYS A 67 112.273 15.185 -11.253 1.00 0.00 H new ATOM 0 HE3 LYS A 67 111.768 16.478 -12.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 114.037 15.779 -12.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 114.028 17.385 -12.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 114.517 16.132 -11.212 1.00 0.00 H new ATOM 1068 N ASN A 68 109.200 13.182 -6.660 1.00 0.00 N ATOM 1069 CA ASN A 68 109.176 12.551 -5.300 1.00 0.00 C ATOM 1070 C ASN A 68 109.037 11.023 -5.401 1.00 0.00 C ATOM 1071 O ASN A 68 108.870 10.351 -4.394 1.00 0.00 O ATOM 1072 CB ASN A 68 107.989 13.109 -4.512 1.00 0.00 C ATOM 1073 CG ASN A 68 108.263 14.569 -4.143 1.00 0.00 C ATOM 1074 OD1 ASN A 68 108.008 15.463 -4.925 1.00 0.00 O ATOM 1075 ND2 ASN A 68 108.774 14.849 -2.975 1.00 0.00 N ATOM 0 H ASN A 68 108.363 13.034 -7.224 1.00 0.00 H new ATOM 0 HA ASN A 68 110.114 12.781 -4.795 1.00 0.00 H new ATOM 0 HB2 ASN A 68 107.078 13.038 -5.107 1.00 0.00 H new ATOM 0 HB3 ASN A 68 107.828 12.519 -3.610 1.00 0.00 H new ATOM 0 HD21 ASN A 68 108.959 15.819 -2.719 1.00 0.00 H new ATOM 0 HD22 ASN A 68 108.988 14.098 -2.319 1.00 0.00 H new ATOM 1082 N CYS A 69 109.110 10.464 -6.591 1.00 0.00 N ATOM 1083 CA CYS A 69 108.980 8.989 -6.742 1.00 0.00 C ATOM 1084 C CYS A 69 110.371 8.388 -6.910 1.00 0.00 C ATOM 1085 O CYS A 69 111.323 9.084 -7.182 1.00 0.00 O ATOM 1086 CB CYS A 69 108.126 8.674 -7.970 1.00 0.00 C ATOM 1087 SG CYS A 69 106.561 9.578 -7.864 1.00 0.00 S ATOM 0 H CYS A 69 109.255 10.975 -7.462 1.00 0.00 H new ATOM 0 HA CYS A 69 108.501 8.565 -5.860 1.00 0.00 H new ATOM 0 HB2 CYS A 69 108.659 8.954 -8.879 1.00 0.00 H new ATOM 0 HB3 CYS A 69 107.936 7.602 -8.029 1.00 0.00 H new ATOM 1092 N HIS A 70 110.505 7.105 -6.747 1.00 0.00 N ATOM 1093 CA HIS A 70 111.848 6.479 -6.890 1.00 0.00 C ATOM 1094 C HIS A 70 111.676 5.056 -7.386 1.00 0.00 C ATOM 1095 O HIS A 70 111.060 4.237 -6.737 1.00 0.00 O ATOM 1096 CB HIS A 70 112.536 6.431 -5.531 1.00 0.00 C ATOM 1097 CG HIS A 70 113.176 7.753 -5.217 1.00 0.00 C ATOM 1098 ND1 HIS A 70 114.552 7.910 -5.130 1.00 0.00 N ATOM 1099 CD2 HIS A 70 112.641 8.983 -4.949 1.00 0.00 C ATOM 1100 CE1 HIS A 70 114.794 9.197 -4.819 1.00 0.00 C ATOM 1101 NE2 HIS A 70 113.662 9.891 -4.698 1.00 0.00 N ATOM 0 H HIS A 70 109.746 6.462 -6.521 1.00 0.00 H new ATOM 0 HA HIS A 70 112.446 7.061 -7.591 1.00 0.00 H new ATOM 0 HB2 HIS A 70 111.810 6.179 -4.758 1.00 0.00 H new ATOM 0 HB3 HIS A 70 113.291 5.645 -5.527 1.00 0.00 H new ATOM 0 HD2 HIS A 70 111.586 9.213 -4.935 1.00 0.00 H new ATOM 0 HE1 HIS A 70 115.781 9.615 -4.684 1.00 0.00 H new ATOM 0 HE2 HIS A 70 113.566 10.880 -4.469 1.00 0.00 H new ATOM 1110 N GLN A 71 112.221 4.752 -8.521 1.00 0.00 N ATOM 1111 CA GLN A 71 112.083 3.370 -9.059 1.00 0.00 C ATOM 1112 C GLN A 71 113.304 2.530 -8.684 1.00 0.00 C ATOM 1113 O GLN A 71 114.435 2.905 -8.920 1.00 0.00 O ATOM 1114 CB GLN A 71 111.902 3.436 -10.579 1.00 0.00 C ATOM 1115 CG GLN A 71 112.714 2.337 -11.277 1.00 0.00 C ATOM 1116 CD GLN A 71 112.344 2.296 -12.761 1.00 0.00 C ATOM 1117 OE1 GLN A 71 111.295 2.768 -13.151 1.00 0.00 O ATOM 1118 NE2 GLN A 71 113.168 1.746 -13.611 1.00 0.00 N ATOM 0 H GLN A 71 112.757 5.396 -9.103 1.00 0.00 H new ATOM 0 HA GLN A 71 111.206 2.892 -8.622 1.00 0.00 H new ATOM 0 HB2 GLN A 71 110.846 3.327 -10.828 1.00 0.00 H new ATOM 0 HB3 GLN A 71 112.217 4.414 -10.944 1.00 0.00 H new ATOM 0 HG2 GLN A 71 113.781 2.529 -11.162 1.00 0.00 H new ATOM 0 HG3 GLN A 71 112.513 1.371 -10.814 1.00 0.00 H new ATOM 0 HE21 GLN A 71 114.049 1.350 -13.284 1.00 0.00 H new ATOM 0 HE22 GLN A 71 112.931 1.713 -14.603 1.00 0.00 H new ATOM 1127 N SER A 72 113.067 1.387 -8.100 1.00 0.00 N ATOM 1128 CA SER A 72 114.191 0.496 -7.701 1.00 0.00 C ATOM 1129 C SER A 72 115.178 0.371 -8.864 1.00 0.00 C ATOM 1130 O SER A 72 114.797 0.376 -10.017 1.00 0.00 O ATOM 1131 CB SER A 72 113.639 -0.887 -7.351 1.00 0.00 C ATOM 1132 OG SER A 72 113.070 -0.851 -6.049 1.00 0.00 O ATOM 0 H SER A 72 112.137 1.031 -7.881 1.00 0.00 H new ATOM 0 HA SER A 72 114.702 0.916 -6.834 1.00 0.00 H new ATOM 0 HB2 SER A 72 112.887 -1.186 -8.081 1.00 0.00 H new ATOM 0 HB3 SER A 72 114.436 -1.630 -7.392 1.00 0.00 H new ATOM 0 HG SER A 72 112.118 -0.629 -6.114 1.00 0.00 H new ATOM 1138 N HIS A 73 116.443 0.255 -8.570 1.00 0.00 N ATOM 1139 CA HIS A 73 117.452 0.126 -9.659 1.00 0.00 C ATOM 1140 C HIS A 73 117.452 -1.315 -10.176 1.00 0.00 C ATOM 1141 O HIS A 73 118.434 -1.798 -10.704 1.00 0.00 O ATOM 1142 CB HIS A 73 118.839 0.473 -9.105 1.00 0.00 C ATOM 1143 CG HIS A 73 119.176 1.905 -9.427 1.00 0.00 C ATOM 1144 ND1 HIS A 73 119.059 2.639 -10.583 1.00 0.00 N flip ATOM 1145 CD2 HIS A 73 119.720 2.767 -8.484 1.00 0.00 C flip ATOM 1146 CE1 HIS A 73 119.522 3.931 -10.360 1.00 0.00 C flip ATOM 1147 NE2 HIS A 73 119.908 3.958 -9.084 1.00 0.00 N flip ATOM 0 H HIS A 73 116.822 0.244 -7.623 1.00 0.00 H new ATOM 0 HA HIS A 73 117.206 0.806 -10.475 1.00 0.00 H new ATOM 0 HB2 HIS A 73 118.858 0.320 -8.026 1.00 0.00 H new ATOM 0 HB3 HIS A 73 119.589 -0.192 -9.535 1.00 0.00 H new ATOM 0 HD2 HIS A 73 119.950 2.526 -7.457 1.00 0.00 H new ATOM 0 HE1 HIS A 73 119.561 4.743 -11.071 1.00 0.00 H new ATOM 0 HE2 HIS A 73 120.297 4.779 -8.620 1.00 0.00 H new ATOM 1156 N GLY A 74 116.359 -2.007 -10.027 1.00 0.00 N ATOM 1157 CA GLY A 74 116.300 -3.416 -10.507 1.00 0.00 C ATOM 1158 C GLY A 74 115.011 -4.073 -10.013 1.00 0.00 C ATOM 1159 O GLY A 74 114.173 -3.435 -9.408 1.00 0.00 O ATOM 0 H GLY A 74 115.504 -1.659 -9.594 1.00 0.00 H new ATOM 0 HA2 GLY A 74 116.339 -3.442 -11.596 1.00 0.00 H new ATOM 0 HA3 GLY A 74 117.165 -3.971 -10.144 1.00 0.00 H new ATOM 1163 N PRO A 75 114.856 -5.343 -10.274 1.00 0.00 N ATOM 1164 CA PRO A 75 113.649 -6.109 -9.858 1.00 0.00 C ATOM 1165 C PRO A 75 113.670 -6.472 -8.369 1.00 0.00 C ATOM 1166 O PRO A 75 114.577 -7.128 -7.896 1.00 0.00 O ATOM 1167 CB PRO A 75 113.714 -7.370 -10.723 1.00 0.00 C ATOM 1168 CG PRO A 75 115.168 -7.577 -11.001 1.00 0.00 C ATOM 1169 CD PRO A 75 115.819 -6.189 -10.999 1.00 0.00 C ATOM 0 HA PRO A 75 112.734 -5.532 -9.992 1.00 0.00 H new ATOM 0 HB2 PRO A 75 113.286 -8.227 -10.203 1.00 0.00 H new ATOM 0 HB3 PRO A 75 113.150 -7.244 -11.647 1.00 0.00 H new ATOM 0 HG2 PRO A 75 115.620 -8.217 -10.243 1.00 0.00 H new ATOM 0 HG3 PRO A 75 115.312 -8.071 -11.962 1.00 0.00 H new ATOM 0 HD2 PRO A 75 116.789 -6.204 -10.503 1.00 0.00 H new ATOM 0 HD3 PRO A 75 115.985 -5.825 -12.013 1.00 0.00 H new ATOM 1177 N VAL A 76 112.672 -6.058 -7.628 1.00 0.00 N ATOM 1178 CA VAL A 76 112.630 -6.386 -6.173 1.00 0.00 C ATOM 1179 C VAL A 76 111.547 -7.441 -5.948 1.00 0.00 C ATOM 1180 O VAL A 76 110.486 -7.391 -6.543 1.00 0.00 O ATOM 1181 CB VAL A 76 112.299 -5.117 -5.366 1.00 0.00 C ATOM 1182 CG1 VAL A 76 111.432 -4.184 -6.206 1.00 0.00 C ATOM 1183 CG2 VAL A 76 111.556 -5.493 -4.077 1.00 0.00 C ATOM 0 H VAL A 76 111.885 -5.507 -7.970 1.00 0.00 H new ATOM 0 HA VAL A 76 113.597 -6.768 -5.845 1.00 0.00 H new ATOM 0 HB VAL A 76 113.228 -4.609 -5.106 1.00 0.00 H new ATOM 0 HG11 VAL A 76 111.200 -3.287 -5.631 1.00 0.00 H new ATOM 0 HG12 VAL A 76 111.970 -3.905 -7.112 1.00 0.00 H new ATOM 0 HG13 VAL A 76 110.506 -4.692 -6.475 1.00 0.00 H new ATOM 0 HG21 VAL A 76 111.326 -4.589 -3.513 1.00 0.00 H new ATOM 0 HG22 VAL A 76 110.630 -6.009 -4.328 1.00 0.00 H new ATOM 0 HG23 VAL A 76 112.184 -6.148 -3.473 1.00 0.00 H new ATOM 1193 N SER A 77 111.799 -8.391 -5.090 1.00 0.00 N ATOM 1194 CA SER A 77 110.774 -9.435 -4.825 1.00 0.00 C ATOM 1195 C SER A 77 109.551 -8.762 -4.209 1.00 0.00 C ATOM 1196 O SER A 77 109.389 -8.726 -3.013 1.00 0.00 O ATOM 1197 CB SER A 77 111.336 -10.472 -3.852 1.00 0.00 C ATOM 1198 OG SER A 77 112.364 -11.212 -4.497 1.00 0.00 O ATOM 0 H SER A 77 112.667 -8.488 -4.564 1.00 0.00 H new ATOM 0 HA SER A 77 110.499 -9.936 -5.753 1.00 0.00 H new ATOM 0 HB2 SER A 77 111.730 -9.978 -2.964 1.00 0.00 H new ATOM 0 HB3 SER A 77 110.544 -11.142 -3.519 1.00 0.00 H new ATOM 0 HG SER A 77 112.728 -11.877 -3.876 1.00 0.00 H new ATOM 1204 N LEU A 78 108.694 -8.216 -5.016 1.00 0.00 N ATOM 1205 CA LEU A 78 107.490 -7.531 -4.477 1.00 0.00 C ATOM 1206 C LEU A 78 106.317 -8.508 -4.426 1.00 0.00 C ATOM 1207 O LEU A 78 106.439 -9.661 -4.786 1.00 0.00 O ATOM 1208 CB LEU A 78 107.138 -6.361 -5.384 1.00 0.00 C ATOM 1209 CG LEU A 78 106.769 -6.872 -6.779 1.00 0.00 C ATOM 1210 CD1 LEU A 78 105.318 -7.377 -6.804 1.00 0.00 C ATOM 1211 CD2 LEU A 78 106.923 -5.725 -7.770 1.00 0.00 C ATOM 0 H LEU A 78 108.774 -8.213 -6.033 1.00 0.00 H new ATOM 0 HA LEU A 78 107.696 -7.170 -3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 78 106.304 -5.800 -4.961 1.00 0.00 H new ATOM 0 HB3 LEU A 78 107.982 -5.675 -5.451 1.00 0.00 H new ATOM 0 HG LEU A 78 107.426 -7.699 -7.046 1.00 0.00 H new ATOM 0 HD11 LEU A 78 105.075 -7.736 -7.804 1.00 0.00 H new ATOM 0 HD12 LEU A 78 105.204 -8.191 -6.088 1.00 0.00 H new ATOM 0 HD13 LEU A 78 104.645 -6.562 -6.537 1.00 0.00 H new ATOM 0 HD21 LEU A 78 106.664 -6.071 -8.771 1.00 0.00 H new ATOM 0 HD22 LEU A 78 106.260 -4.907 -7.486 1.00 0.00 H new ATOM 0 HD23 LEU A 78 107.955 -5.375 -7.763 1.00 0.00 H new ATOM 1223 N THR A 79 105.180 -8.051 -3.979 1.00 0.00 N ATOM 1224 CA THR A 79 103.989 -8.942 -3.900 1.00 0.00 C ATOM 1225 C THR A 79 102.730 -8.155 -4.256 1.00 0.00 C ATOM 1226 O THR A 79 102.270 -7.325 -3.501 1.00 0.00 O ATOM 1227 CB THR A 79 103.872 -9.484 -2.478 1.00 0.00 C ATOM 1228 OG1 THR A 79 104.625 -10.683 -2.373 1.00 0.00 O ATOM 1229 CG2 THR A 79 102.414 -9.776 -2.130 1.00 0.00 C ATOM 0 H THR A 79 105.024 -7.094 -3.663 1.00 0.00 H new ATOM 0 HA THR A 79 104.100 -9.768 -4.603 1.00 0.00 H new ATOM 0 HB THR A 79 104.255 -8.735 -1.785 1.00 0.00 H new ATOM 0 HG1 THR A 79 105.551 -10.512 -2.643 1.00 0.00 H new ATOM 0 HG21 THR A 79 102.353 -10.161 -1.112 1.00 0.00 H new ATOM 0 HG22 THR A 79 101.831 -8.858 -2.206 1.00 0.00 H new ATOM 0 HG23 THR A 79 102.016 -10.517 -2.823 1.00 0.00 H new ATOM 1237 N MET A 80 102.162 -8.418 -5.396 1.00 0.00 N ATOM 1238 CA MET A 80 100.923 -7.691 -5.784 1.00 0.00 C ATOM 1239 C MET A 80 99.700 -8.439 -5.252 1.00 0.00 C ATOM 1240 O MET A 80 99.340 -9.490 -5.748 1.00 0.00 O ATOM 1241 CB MET A 80 100.827 -7.607 -7.307 1.00 0.00 C ATOM 1242 CG MET A 80 102.054 -6.883 -7.872 1.00 0.00 C ATOM 1243 SD MET A 80 102.776 -7.862 -9.215 1.00 0.00 S ATOM 1244 CE MET A 80 101.565 -7.428 -10.487 1.00 0.00 C ATOM 0 H MET A 80 102.499 -9.101 -6.074 1.00 0.00 H new ATOM 0 HA MET A 80 100.956 -6.687 -5.362 1.00 0.00 H new ATOM 0 HB2 MET A 80 100.759 -8.609 -7.731 1.00 0.00 H new ATOM 0 HB3 MET A 80 99.918 -7.077 -7.593 1.00 0.00 H new ATOM 0 HG2 MET A 80 101.769 -5.897 -8.240 1.00 0.00 H new ATOM 0 HG3 MET A 80 102.792 -6.728 -7.085 1.00 0.00 H new ATOM 0 HE1 MET A 80 101.821 -7.931 -11.419 1.00 0.00 H new ATOM 0 HE2 MET A 80 100.572 -7.742 -10.166 1.00 0.00 H new ATOM 0 HE3 MET A 80 101.572 -6.349 -10.643 1.00 0.00 H new ATOM 1254 N CYS A 81 99.049 -7.906 -4.253 1.00 0.00 N ATOM 1255 CA CYS A 81 97.841 -8.586 -3.712 1.00 0.00 C ATOM 1256 C CYS A 81 96.605 -8.005 -4.394 1.00 0.00 C ATOM 1257 O CYS A 81 96.575 -6.840 -4.732 1.00 0.00 O ATOM 1258 CB CYS A 81 97.742 -8.347 -2.209 1.00 0.00 C ATOM 1259 SG CYS A 81 99.383 -8.458 -1.467 1.00 0.00 S ATOM 0 H CYS A 81 99.302 -7.032 -3.791 1.00 0.00 H new ATOM 0 HA CYS A 81 97.909 -9.657 -3.901 1.00 0.00 H new ATOM 0 HB2 CYS A 81 97.310 -7.365 -2.015 1.00 0.00 H new ATOM 0 HB3 CYS A 81 97.077 -9.083 -1.757 1.00 0.00 H new ATOM 1264 N LYS A 82 95.586 -8.797 -4.605 1.00 0.00 N ATOM 1265 CA LYS A 82 94.369 -8.274 -5.268 1.00 0.00 C ATOM 1266 C LYS A 82 93.136 -8.702 -4.470 1.00 0.00 C ATOM 1267 O LYS A 82 93.155 -9.696 -3.771 1.00 0.00 O ATOM 1268 CB LYS A 82 94.296 -8.821 -6.700 1.00 0.00 C ATOM 1269 CG LYS A 82 93.369 -10.034 -6.740 1.00 0.00 C ATOM 1270 CD LYS A 82 93.544 -10.772 -8.069 1.00 0.00 C ATOM 1271 CE LYS A 82 92.624 -11.993 -8.100 1.00 0.00 C ATOM 1272 NZ LYS A 82 93.011 -12.878 -9.235 1.00 0.00 N ATOM 0 H LYS A 82 95.550 -9.783 -4.345 1.00 0.00 H new ATOM 0 HA LYS A 82 94.404 -7.185 -5.308 1.00 0.00 H new ATOM 0 HB2 LYS A 82 93.930 -8.049 -7.377 1.00 0.00 H new ATOM 0 HB3 LYS A 82 95.292 -9.100 -7.044 1.00 0.00 H new ATOM 0 HG2 LYS A 82 93.593 -10.703 -5.909 1.00 0.00 H new ATOM 0 HG3 LYS A 82 92.333 -9.716 -6.623 1.00 0.00 H new ATOM 0 HD2 LYS A 82 93.311 -10.106 -8.900 1.00 0.00 H new ATOM 0 HD3 LYS A 82 94.582 -11.082 -8.191 1.00 0.00 H new ATOM 0 HE2 LYS A 82 92.694 -12.539 -7.159 1.00 0.00 H new ATOM 0 HE3 LYS A 82 91.586 -11.677 -8.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 92.386 -13.709 -9.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 92.922 -12.355 -10.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 93.996 -13.189 -9.112 1.00 0.00 H new ATOM 1286 N LEU A 83 92.063 -7.967 -4.568 1.00 0.00 N ATOM 1287 CA LEU A 83 90.844 -8.352 -3.810 1.00 0.00 C ATOM 1288 C LEU A 83 90.202 -9.553 -4.483 1.00 0.00 C ATOM 1289 O LEU A 83 89.637 -9.459 -5.555 1.00 0.00 O ATOM 1290 CB LEU A 83 89.844 -7.189 -3.764 1.00 0.00 C ATOM 1291 CG LEU A 83 88.515 -7.641 -3.125 1.00 0.00 C ATOM 1292 CD1 LEU A 83 88.782 -8.549 -1.925 1.00 0.00 C ATOM 1293 CD2 LEU A 83 87.728 -6.419 -2.636 1.00 0.00 C ATOM 0 H LEU A 83 91.979 -7.124 -5.136 1.00 0.00 H new ATOM 0 HA LEU A 83 91.126 -8.603 -2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 83 90.266 -6.362 -3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 83 89.661 -6.819 -4.773 1.00 0.00 H new ATOM 0 HG LEU A 83 87.943 -8.183 -3.879 1.00 0.00 H new ATOM 0 HD11 LEU A 83 87.834 -8.859 -1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 83 89.336 -9.429 -2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 83 89.367 -8.007 -1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 83 86.791 -6.746 -2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 83 88.317 -5.879 -1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 83 87.516 -5.762 -3.479 1.00 0.00 H new ATOM 1305 N THR A 84 90.281 -10.680 -3.850 1.00 0.00 N ATOM 1306 CA THR A 84 89.673 -11.899 -4.432 1.00 0.00 C ATOM 1307 C THR A 84 88.155 -11.733 -4.431 1.00 0.00 C ATOM 1308 O THR A 84 87.504 -11.979 -5.426 1.00 0.00 O ATOM 1309 CB THR A 84 90.079 -13.124 -3.607 1.00 0.00 C ATOM 1310 OG1 THR A 84 89.383 -13.111 -2.370 1.00 0.00 O ATOM 1311 CG2 THR A 84 91.593 -13.095 -3.347 1.00 0.00 C ATOM 0 H THR A 84 90.742 -10.812 -2.950 1.00 0.00 H new ATOM 0 HA THR A 84 90.022 -12.044 -5.454 1.00 0.00 H new ATOM 0 HB THR A 84 89.827 -14.031 -4.157 1.00 0.00 H new ATOM 0 HG1 THR A 84 89.584 -12.280 -1.890 1.00 0.00 H new ATOM 0 HG21 THR A 84 91.878 -13.968 -2.760 1.00 0.00 H new ATOM 0 HG22 THR A 84 92.126 -13.107 -4.298 1.00 0.00 H new ATOM 0 HG23 THR A 84 91.851 -12.189 -2.799 1.00 0.00 H new ATOM 1319 N SER A 85 87.580 -11.290 -3.334 1.00 0.00 N ATOM 1320 CA SER A 85 86.093 -11.090 -3.315 1.00 0.00 C ATOM 1321 C SER A 85 85.566 -11.012 -1.879 1.00 0.00 C ATOM 1322 O SER A 85 86.198 -11.454 -0.942 1.00 0.00 O ATOM 1323 CB SER A 85 85.399 -12.251 -4.035 1.00 0.00 C ATOM 1324 OG SER A 85 85.209 -11.910 -5.402 1.00 0.00 O ATOM 0 H SER A 85 88.066 -11.062 -2.467 1.00 0.00 H new ATOM 0 HA SER A 85 85.876 -10.151 -3.824 1.00 0.00 H new ATOM 0 HB2 SER A 85 86.001 -13.156 -3.954 1.00 0.00 H new ATOM 0 HB3 SER A 85 84.439 -12.464 -3.565 1.00 0.00 H new ATOM 0 HG SER A 85 86.056 -11.597 -5.782 1.00 0.00 H new ATOM 1330 N GLY A 86 84.393 -10.456 -1.714 1.00 0.00 N ATOM 1331 CA GLY A 86 83.786 -10.343 -0.359 1.00 0.00 C ATOM 1332 C GLY A 86 82.939 -9.070 -0.284 1.00 0.00 C ATOM 1333 O GLY A 86 81.748 -9.129 -0.084 1.00 0.00 O ATOM 0 H GLY A 86 83.826 -10.072 -2.470 1.00 0.00 H new ATOM 0 HA2 GLY A 86 83.168 -11.217 -0.152 1.00 0.00 H new ATOM 0 HA3 GLY A 86 84.568 -10.318 0.400 1.00 0.00 H new ATOM 1337 N LYS A 87 83.576 -7.934 -0.443 1.00 0.00 N ATOM 1338 CA LYS A 87 82.895 -6.596 -0.394 1.00 0.00 C ATOM 1339 C LYS A 87 83.843 -5.626 0.307 1.00 0.00 C ATOM 1340 O LYS A 87 84.980 -5.475 -0.087 1.00 0.00 O ATOM 1341 CB LYS A 87 81.575 -6.671 0.386 1.00 0.00 C ATOM 1342 CG LYS A 87 80.455 -7.149 -0.543 1.00 0.00 C ATOM 1343 CD LYS A 87 79.558 -5.970 -0.946 1.00 0.00 C ATOM 1344 CE LYS A 87 78.552 -5.679 0.172 1.00 0.00 C ATOM 1345 NZ LYS A 87 78.012 -4.300 0.006 1.00 0.00 N ATOM 0 H LYS A 87 84.580 -7.876 -0.612 1.00 0.00 H new ATOM 0 HA LYS A 87 82.663 -6.266 -1.407 1.00 0.00 H new ATOM 0 HB2 LYS A 87 81.678 -7.354 1.229 1.00 0.00 H new ATOM 0 HB3 LYS A 87 81.328 -5.692 0.797 1.00 0.00 H new ATOM 0 HG2 LYS A 87 80.883 -7.610 -1.433 1.00 0.00 H new ATOM 0 HG3 LYS A 87 79.860 -7.913 -0.043 1.00 0.00 H new ATOM 0 HD2 LYS A 87 80.167 -5.087 -1.139 1.00 0.00 H new ATOM 0 HD3 LYS A 87 79.031 -6.202 -1.871 1.00 0.00 H new ATOM 0 HE2 LYS A 87 77.740 -6.405 0.143 1.00 0.00 H new ATOM 0 HE3 LYS A 87 79.034 -5.778 1.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 77.329 -4.101 0.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 78.792 -3.614 0.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 77.538 -4.222 -0.916 1.00 0.00 H new ATOM 1359 N TYR A 88 83.402 -4.989 1.358 1.00 0.00 N ATOM 1360 CA TYR A 88 84.305 -4.064 2.097 1.00 0.00 C ATOM 1361 C TYR A 88 84.559 -4.633 3.503 1.00 0.00 C ATOM 1362 O TYR A 88 85.672 -4.630 3.984 1.00 0.00 O ATOM 1363 CB TYR A 88 83.701 -2.655 2.197 1.00 0.00 C ATOM 1364 CG TYR A 88 84.090 -2.050 3.528 1.00 0.00 C ATOM 1365 CD1 TYR A 88 85.430 -2.072 3.945 1.00 0.00 C ATOM 1366 CD2 TYR A 88 83.110 -1.513 4.361 1.00 0.00 C ATOM 1367 CE1 TYR A 88 85.779 -1.558 5.196 1.00 0.00 C ATOM 1368 CE2 TYR A 88 83.460 -0.989 5.609 1.00 0.00 C ATOM 1369 CZ TYR A 88 84.795 -1.016 6.030 1.00 0.00 C ATOM 1370 OH TYR A 88 85.138 -0.512 7.268 1.00 0.00 O ATOM 0 H TYR A 88 82.458 -5.069 1.735 1.00 0.00 H new ATOM 0 HA TYR A 88 85.246 -3.981 1.553 1.00 0.00 H new ATOM 0 HB2 TYR A 88 84.062 -2.031 1.379 1.00 0.00 H new ATOM 0 HB3 TYR A 88 82.616 -2.703 2.107 1.00 0.00 H new ATOM 0 HD1 TYR A 88 86.190 -2.486 3.299 1.00 0.00 H new ATOM 0 HD2 TYR A 88 82.078 -1.502 4.042 1.00 0.00 H new ATOM 0 HE1 TYR A 88 86.809 -1.579 5.520 1.00 0.00 H new ATOM 0 HE2 TYR A 88 82.701 -0.563 6.248 1.00 0.00 H new ATOM 0 HH TYR A 88 86.113 -0.523 7.367 1.00 0.00 H new ATOM 1380 N PRO A 89 83.546 -5.116 4.170 1.00 0.00 N ATOM 1381 CA PRO A 89 83.700 -5.680 5.529 1.00 0.00 C ATOM 1382 C PRO A 89 84.047 -7.173 5.485 1.00 0.00 C ATOM 1383 O PRO A 89 84.243 -7.807 6.503 1.00 0.00 O ATOM 1384 CB PRO A 89 82.324 -5.452 6.148 1.00 0.00 C ATOM 1385 CG PRO A 89 81.361 -5.535 5.002 1.00 0.00 C ATOM 1386 CD PRO A 89 82.145 -5.187 3.724 1.00 0.00 C ATOM 0 HA PRO A 89 84.511 -5.219 6.093 1.00 0.00 H new ATOM 0 HB2 PRO A 89 82.102 -6.205 6.904 1.00 0.00 H new ATOM 0 HB3 PRO A 89 82.269 -4.481 6.640 1.00 0.00 H new ATOM 0 HG2 PRO A 89 80.933 -6.535 4.931 1.00 0.00 H new ATOM 0 HG3 PRO A 89 80.532 -4.843 5.145 1.00 0.00 H new ATOM 0 HD2 PRO A 89 82.010 -5.947 2.954 1.00 0.00 H new ATOM 0 HD3 PRO A 89 81.814 -4.240 3.299 1.00 0.00 H new ATOM 1394 N ASN A 90 84.121 -7.739 4.305 1.00 0.00 N ATOM 1395 CA ASN A 90 84.450 -9.190 4.186 1.00 0.00 C ATOM 1396 C ASN A 90 85.316 -9.419 2.943 1.00 0.00 C ATOM 1397 O ASN A 90 85.209 -10.433 2.287 1.00 0.00 O ATOM 1398 CB ASN A 90 83.148 -9.986 4.044 1.00 0.00 C ATOM 1399 CG ASN A 90 83.299 -11.354 4.715 1.00 0.00 C ATOM 1400 OD1 ASN A 90 82.399 -11.817 5.388 1.00 0.00 O ATOM 1401 ND2 ASN A 90 84.408 -12.025 4.559 1.00 0.00 N ATOM 0 H ASN A 90 83.967 -7.257 3.420 1.00 0.00 H new ATOM 0 HA ASN A 90 84.993 -9.516 5.073 1.00 0.00 H new ATOM 0 HB2 ASN A 90 82.324 -9.437 4.499 1.00 0.00 H new ATOM 0 HB3 ASN A 90 82.902 -10.113 2.990 1.00 0.00 H new ATOM 0 HD21 ASN A 90 84.519 -12.937 5.002 1.00 0.00 H new ATOM 0 HD22 ASN A 90 85.164 -11.637 3.994 1.00 0.00 H new ATOM 1408 N CYS A 91 86.165 -8.485 2.612 1.00 0.00 N ATOM 1409 CA CYS A 91 87.020 -8.640 1.402 1.00 0.00 C ATOM 1410 C CYS A 91 88.234 -9.515 1.722 1.00 0.00 C ATOM 1411 O CYS A 91 88.974 -9.254 2.649 1.00 0.00 O ATOM 1412 CB CYS A 91 87.508 -7.255 0.979 1.00 0.00 C ATOM 1413 SG CYS A 91 88.202 -6.406 2.413 1.00 0.00 S ATOM 0 H CYS A 91 86.304 -7.617 3.130 1.00 0.00 H new ATOM 0 HA CYS A 91 86.443 -9.109 0.605 1.00 0.00 H new ATOM 0 HB2 CYS A 91 88.260 -7.345 0.196 1.00 0.00 H new ATOM 0 HB3 CYS A 91 86.683 -6.677 0.563 1.00 0.00 H new ATOM 1418 N ARG A 92 88.454 -10.539 0.939 1.00 0.00 N ATOM 1419 CA ARG A 92 89.633 -11.428 1.163 1.00 0.00 C ATOM 1420 C ARG A 92 90.581 -11.261 -0.025 1.00 0.00 C ATOM 1421 O ARG A 92 90.154 -11.258 -1.171 1.00 0.00 O ATOM 1422 CB ARG A 92 89.176 -12.890 1.270 1.00 0.00 C ATOM 1423 CG ARG A 92 87.888 -13.089 0.469 1.00 0.00 C ATOM 1424 CD ARG A 92 87.519 -14.573 0.454 1.00 0.00 C ATOM 1425 NE ARG A 92 86.481 -14.816 -0.587 1.00 0.00 N ATOM 1426 CZ ARG A 92 85.267 -14.368 -0.416 1.00 0.00 C ATOM 1427 NH1 ARG A 92 84.962 -13.708 0.668 1.00 0.00 N ATOM 1428 NH2 ARG A 92 84.359 -14.581 -1.328 1.00 0.00 N ATOM 0 H ARG A 92 87.864 -10.799 0.149 1.00 0.00 H new ATOM 0 HA ARG A 92 90.138 -11.160 2.091 1.00 0.00 H new ATOM 0 HB2 ARG A 92 89.955 -13.553 0.894 1.00 0.00 H new ATOM 0 HB3 ARG A 92 89.010 -13.153 2.315 1.00 0.00 H new ATOM 0 HG2 ARG A 92 87.079 -12.507 0.911 1.00 0.00 H new ATOM 0 HG3 ARG A 92 88.022 -12.727 -0.550 1.00 0.00 H new ATOM 0 HD2 ARG A 92 88.403 -15.177 0.249 1.00 0.00 H new ATOM 0 HD3 ARG A 92 87.146 -14.876 1.432 1.00 0.00 H new ATOM 0 HE ARG A 92 86.719 -15.333 -1.434 1.00 0.00 H new ATOM 0 HH11 ARG A 92 85.672 -13.542 1.381 1.00 0.00 H new ATOM 0 HH12 ARG A 92 84.013 -13.358 0.802 1.00 0.00 H new ATOM 0 HH21 ARG A 92 84.598 -15.098 -2.175 1.00 0.00 H new ATOM 0 HH22 ARG A 92 83.410 -14.231 -1.195 1.00 0.00 H new ATOM 1442 N TYR A 93 91.857 -11.087 0.238 1.00 0.00 N ATOM 1443 CA TYR A 93 92.832 -10.881 -0.868 1.00 0.00 C ATOM 1444 C TYR A 93 93.778 -12.066 -0.993 1.00 0.00 C ATOM 1445 O TYR A 93 93.940 -12.862 -0.090 1.00 0.00 O ATOM 1446 CB TYR A 93 93.669 -9.638 -0.577 1.00 0.00 C ATOM 1447 CG TYR A 93 92.767 -8.439 -0.501 1.00 0.00 C ATOM 1448 CD1 TYR A 93 91.835 -8.334 0.535 1.00 0.00 C ATOM 1449 CD2 TYR A 93 92.856 -7.438 -1.471 1.00 0.00 C ATOM 1450 CE1 TYR A 93 90.992 -7.228 0.601 1.00 0.00 C ATOM 1451 CE2 TYR A 93 92.010 -6.332 -1.406 1.00 0.00 C ATOM 1452 CZ TYR A 93 91.077 -6.226 -0.372 1.00 0.00 C ATOM 1453 OH TYR A 93 90.251 -5.129 -0.311 1.00 0.00 O ATOM 0 H TYR A 93 92.260 -11.080 1.175 1.00 0.00 H new ATOM 0 HA TYR A 93 92.271 -10.769 -1.796 1.00 0.00 H new ATOM 0 HB2 TYR A 93 94.209 -9.761 0.362 1.00 0.00 H new ATOM 0 HB3 TYR A 93 94.416 -9.497 -1.359 1.00 0.00 H new ATOM 0 HD1 TYR A 93 91.769 -9.110 1.283 1.00 0.00 H new ATOM 0 HD2 TYR A 93 93.579 -7.521 -2.269 1.00 0.00 H new ATOM 0 HE1 TYR A 93 90.273 -7.143 1.402 1.00 0.00 H new ATOM 0 HE2 TYR A 93 92.076 -5.557 -2.155 1.00 0.00 H new ATOM 0 HH TYR A 93 90.260 -4.763 0.598 1.00 0.00 H new ATOM 1463 N LYS A 94 94.429 -12.143 -2.112 1.00 0.00 N ATOM 1464 CA LYS A 94 95.417 -13.217 -2.361 1.00 0.00 C ATOM 1465 C LYS A 94 96.752 -12.526 -2.609 1.00 0.00 C ATOM 1466 O LYS A 94 96.818 -11.530 -3.305 1.00 0.00 O ATOM 1467 CB LYS A 94 95.002 -14.028 -3.598 1.00 0.00 C ATOM 1468 CG LYS A 94 94.292 -15.315 -3.162 1.00 0.00 C ATOM 1469 CD LYS A 94 95.324 -16.347 -2.698 1.00 0.00 C ATOM 1470 CE LYS A 94 94.683 -17.736 -2.674 1.00 0.00 C ATOM 1471 NZ LYS A 94 95.553 -18.672 -1.907 1.00 0.00 N ATOM 0 H LYS A 94 94.314 -11.488 -2.885 1.00 0.00 H new ATOM 0 HA LYS A 94 95.482 -13.904 -1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 94 94.341 -13.433 -4.229 1.00 0.00 H new ATOM 0 HB3 LYS A 94 95.880 -14.271 -4.196 1.00 0.00 H new ATOM 0 HG2 LYS A 94 93.592 -15.099 -2.355 1.00 0.00 H new ATOM 0 HG3 LYS A 94 93.709 -15.718 -3.990 1.00 0.00 H new ATOM 0 HD2 LYS A 94 96.184 -16.343 -3.368 1.00 0.00 H new ATOM 0 HD3 LYS A 94 95.692 -16.088 -1.705 1.00 0.00 H new ATOM 0 HE2 LYS A 94 93.695 -17.684 -2.217 1.00 0.00 H new ATOM 0 HE3 LYS A 94 94.545 -18.102 -3.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 95.117 -19.616 -1.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 96.487 -18.729 -2.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 95.663 -18.325 -0.933 1.00 0.00 H new ATOM 1485 N GLU A 95 97.808 -13.017 -2.031 1.00 0.00 N ATOM 1486 CA GLU A 95 99.125 -12.353 -2.220 1.00 0.00 C ATOM 1487 C GLU A 95 99.850 -12.975 -3.416 1.00 0.00 C ATOM 1488 O GLU A 95 100.044 -14.172 -3.487 1.00 0.00 O ATOM 1489 CB GLU A 95 99.953 -12.518 -0.934 1.00 0.00 C ATOM 1490 CG GLU A 95 100.828 -13.768 -1.020 1.00 0.00 C ATOM 1491 CD GLU A 95 101.418 -14.073 0.358 1.00 0.00 C ATOM 1492 OE1 GLU A 95 101.098 -13.355 1.291 1.00 0.00 O ATOM 1493 OE2 GLU A 95 102.181 -15.021 0.457 1.00 0.00 O ATOM 0 H GLU A 95 97.818 -13.847 -1.438 1.00 0.00 H new ATOM 0 HA GLU A 95 98.985 -11.291 -2.421 1.00 0.00 H new ATOM 0 HB2 GLU A 95 100.578 -11.638 -0.781 1.00 0.00 H new ATOM 0 HB3 GLU A 95 99.289 -12.590 -0.073 1.00 0.00 H new ATOM 0 HG2 GLU A 95 100.238 -14.615 -1.370 1.00 0.00 H new ATOM 0 HG3 GLU A 95 101.628 -13.616 -1.744 1.00 0.00 H new ATOM 1500 N LYS A 96 100.253 -12.166 -4.360 1.00 0.00 N ATOM 1501 CA LYS A 96 100.968 -12.705 -5.552 1.00 0.00 C ATOM 1502 C LYS A 96 102.423 -12.239 -5.512 1.00 0.00 C ATOM 1503 O LYS A 96 102.720 -11.086 -5.738 1.00 0.00 O ATOM 1504 CB LYS A 96 100.299 -12.173 -6.821 1.00 0.00 C ATOM 1505 CG LYS A 96 100.745 -13.006 -8.024 1.00 0.00 C ATOM 1506 CD LYS A 96 100.125 -12.434 -9.301 1.00 0.00 C ATOM 1507 CE LYS A 96 100.542 -13.289 -10.499 1.00 0.00 C ATOM 1508 NZ LYS A 96 99.935 -12.733 -11.741 1.00 0.00 N ATOM 0 H LYS A 96 100.117 -11.155 -4.356 1.00 0.00 H new ATOM 0 HA LYS A 96 100.930 -13.794 -5.548 1.00 0.00 H new ATOM 0 HB2 LYS A 96 99.215 -12.216 -6.718 1.00 0.00 H new ATOM 0 HB3 LYS A 96 100.564 -11.126 -6.972 1.00 0.00 H new ATOM 0 HG2 LYS A 96 101.832 -13.000 -8.101 1.00 0.00 H new ATOM 0 HG3 LYS A 96 100.441 -14.044 -7.893 1.00 0.00 H new ATOM 0 HD2 LYS A 96 99.039 -12.416 -9.214 1.00 0.00 H new ATOM 0 HD3 LYS A 96 100.450 -11.404 -9.446 1.00 0.00 H new ATOM 0 HE2 LYS A 96 101.628 -13.305 -10.588 1.00 0.00 H new ATOM 0 HE3 LYS A 96 100.219 -14.320 -10.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 100.218 -13.314 -12.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 98.899 -12.740 -11.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 100.264 -11.756 -11.881 1.00 0.00 H new ATOM 1522 N ARG A 97 103.331 -13.128 -5.228 1.00 0.00 N ATOM 1523 CA ARG A 97 104.770 -12.737 -5.169 1.00 0.00 C ATOM 1524 C ARG A 97 105.313 -12.493 -6.579 1.00 0.00 C ATOM 1525 O ARG A 97 105.491 -13.413 -7.353 1.00 0.00 O ATOM 1526 CB ARG A 97 105.576 -13.859 -4.506 1.00 0.00 C ATOM 1527 CG ARG A 97 107.071 -13.643 -4.769 1.00 0.00 C ATOM 1528 CD ARG A 97 107.891 -14.453 -3.762 1.00 0.00 C ATOM 1529 NE ARG A 97 107.244 -15.779 -3.547 1.00 0.00 N ATOM 1530 CZ ARG A 97 107.346 -16.709 -4.456 1.00 0.00 C ATOM 1531 NH1 ARG A 97 108.014 -16.480 -5.554 1.00 0.00 N ATOM 1532 NH2 ARG A 97 106.780 -17.870 -4.268 1.00 0.00 N ATOM 0 H ARG A 97 103.141 -14.111 -5.033 1.00 0.00 H new ATOM 0 HA ARG A 97 104.862 -11.819 -4.588 1.00 0.00 H new ATOM 0 HB2 ARG A 97 105.384 -13.874 -3.433 1.00 0.00 H new ATOM 0 HB3 ARG A 97 105.263 -14.826 -4.899 1.00 0.00 H new ATOM 0 HG2 ARG A 97 107.320 -13.948 -5.785 1.00 0.00 H new ATOM 0 HG3 ARG A 97 107.316 -12.584 -4.685 1.00 0.00 H new ATOM 0 HD2 ARG A 97 108.908 -14.588 -4.130 1.00 0.00 H new ATOM 0 HD3 ARG A 97 107.963 -13.914 -2.817 1.00 0.00 H new ATOM 0 HE ARG A 97 106.722 -15.959 -2.689 1.00 0.00 H new ATOM 0 HH11 ARG A 97 108.457 -15.573 -5.702 1.00 0.00 H new ATOM 0 HH12 ARG A 97 108.093 -17.208 -6.264 1.00 0.00 H new ATOM 0 HH21 ARG A 97 106.258 -18.050 -3.410 1.00 0.00 H new ATOM 0 HH22 ARG A 97 106.860 -18.597 -4.979 1.00 0.00 H new ATOM 1546 N GLN A 98 105.600 -11.260 -6.909 1.00 0.00 N ATOM 1547 CA GLN A 98 106.160 -10.949 -8.257 1.00 0.00 C ATOM 1548 C GLN A 98 107.532 -10.294 -8.066 1.00 0.00 C ATOM 1549 O GLN A 98 107.878 -9.888 -6.980 1.00 0.00 O ATOM 1550 CB GLN A 98 105.214 -9.986 -8.991 1.00 0.00 C ATOM 1551 CG GLN A 98 105.068 -10.412 -10.455 1.00 0.00 C ATOM 1552 CD GLN A 98 104.316 -11.742 -10.528 1.00 0.00 C ATOM 1553 OE1 GLN A 98 103.959 -12.338 -9.423 1.00 0.00 O flip ATOM 1554 NE2 GLN A 98 104.051 -12.245 -11.602 1.00 0.00 N flip ATOM 0 H GLN A 98 105.470 -10.452 -6.300 1.00 0.00 H new ATOM 0 HA GLN A 98 106.263 -11.859 -8.849 1.00 0.00 H new ATOM 0 HB2 GLN A 98 104.238 -9.981 -8.506 1.00 0.00 H new ATOM 0 HB3 GLN A 98 105.602 -8.969 -8.936 1.00 0.00 H new ATOM 0 HG2 GLN A 98 104.530 -9.647 -11.015 1.00 0.00 H new ATOM 0 HG3 GLN A 98 106.051 -10.512 -10.915 1.00 0.00 H new ATOM 0 HE21 GLN A 98 104.330 -11.780 -12.466 1.00 0.00 H new ATOM 0 HE22 GLN A 98 103.550 -13.133 -11.640 1.00 0.00 H new ATOM 1563 N ASN A 99 108.313 -10.188 -9.106 1.00 0.00 N ATOM 1564 CA ASN A 99 109.660 -9.548 -8.976 1.00 0.00 C ATOM 1565 C ASN A 99 109.808 -8.491 -10.061 1.00 0.00 C ATOM 1566 O ASN A 99 109.957 -8.798 -11.227 1.00 0.00 O ATOM 1567 CB ASN A 99 110.749 -10.610 -9.143 1.00 0.00 C ATOM 1568 CG ASN A 99 110.508 -11.391 -10.436 1.00 0.00 C ATOM 1569 OD1 ASN A 99 111.037 -11.047 -11.475 1.00 0.00 O ATOM 1570 ND2 ASN A 99 109.726 -12.435 -10.417 1.00 0.00 N ATOM 0 H ASN A 99 108.079 -10.516 -10.043 1.00 0.00 H new ATOM 0 HA ASN A 99 109.758 -9.086 -7.993 1.00 0.00 H new ATOM 0 HB2 ASN A 99 111.731 -10.138 -9.169 1.00 0.00 H new ATOM 0 HB3 ASN A 99 110.744 -11.288 -8.290 1.00 0.00 H new ATOM 0 HD21 ASN A 99 109.559 -12.962 -11.274 1.00 0.00 H new ATOM 0 HD22 ASN A 99 109.282 -12.724 -9.545 1.00 0.00 H new ATOM 1577 N LYS A 100 109.777 -7.245 -9.684 1.00 0.00 N ATOM 1578 CA LYS A 100 109.919 -6.157 -10.691 1.00 0.00 C ATOM 1579 C LYS A 100 110.388 -4.888 -9.986 1.00 0.00 C ATOM 1580 O LYS A 100 110.234 -4.737 -8.791 1.00 0.00 O ATOM 1581 CB LYS A 100 108.571 -5.880 -11.383 1.00 0.00 C ATOM 1582 CG LYS A 100 107.634 -7.087 -11.256 1.00 0.00 C ATOM 1583 CD LYS A 100 106.247 -6.716 -11.801 1.00 0.00 C ATOM 1584 CE LYS A 100 105.826 -7.714 -12.885 1.00 0.00 C ATOM 1585 NZ LYS A 100 104.383 -7.521 -13.203 1.00 0.00 N ATOM 0 H LYS A 100 109.659 -6.932 -8.721 1.00 0.00 H new ATOM 0 HA LYS A 100 110.644 -6.464 -11.445 1.00 0.00 H new ATOM 0 HB2 LYS A 100 108.103 -5.002 -10.938 1.00 0.00 H new ATOM 0 HB3 LYS A 100 108.738 -5.653 -12.436 1.00 0.00 H new ATOM 0 HG2 LYS A 100 108.039 -7.935 -11.808 1.00 0.00 H new ATOM 0 HG3 LYS A 100 107.557 -7.393 -10.213 1.00 0.00 H new ATOM 0 HD2 LYS A 100 105.517 -6.716 -10.991 1.00 0.00 H new ATOM 0 HD3 LYS A 100 106.267 -5.707 -12.212 1.00 0.00 H new ATOM 0 HE2 LYS A 100 106.429 -7.570 -13.781 1.00 0.00 H new ATOM 0 HE3 LYS A 100 106.001 -8.734 -12.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 104.096 -8.198 -13.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 103.815 -7.679 -12.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 104.230 -6.551 -13.546 1.00 0.00 H new ATOM 1599 N SER A 101 110.950 -3.971 -10.718 1.00 0.00 N ATOM 1600 CA SER A 101 111.420 -2.707 -10.091 1.00 0.00 C ATOM 1601 C SER A 101 110.229 -1.760 -9.981 1.00 0.00 C ATOM 1602 O SER A 101 109.641 -1.381 -10.969 1.00 0.00 O ATOM 1603 CB SER A 101 112.511 -2.079 -10.960 1.00 0.00 C ATOM 1604 OG SER A 101 113.213 -3.108 -11.645 1.00 0.00 O ATOM 0 H SER A 101 111.105 -4.041 -11.724 1.00 0.00 H new ATOM 0 HA SER A 101 111.833 -2.903 -9.102 1.00 0.00 H new ATOM 0 HB2 SER A 101 112.069 -1.386 -11.675 1.00 0.00 H new ATOM 0 HB3 SER A 101 113.199 -1.503 -10.341 1.00 0.00 H new ATOM 0 HG SER A 101 113.913 -2.710 -12.204 1.00 0.00 H new ATOM 1610 N TYR A 102 109.848 -1.395 -8.790 1.00 0.00 N ATOM 1611 CA TYR A 102 108.669 -0.501 -8.631 1.00 0.00 C ATOM 1612 C TYR A 102 109.110 0.925 -8.380 1.00 0.00 C ATOM 1613 O TYR A 102 110.280 1.238 -8.402 1.00 0.00 O ATOM 1614 CB TYR A 102 107.873 -0.960 -7.420 1.00 0.00 C ATOM 1615 CG TYR A 102 108.827 -1.192 -6.266 1.00 0.00 C ATOM 1616 CD1 TYR A 102 109.629 -0.148 -5.769 1.00 0.00 C ATOM 1617 CD2 TYR A 102 108.900 -2.453 -5.681 1.00 0.00 C ATOM 1618 CE1 TYR A 102 110.497 -0.382 -4.697 1.00 0.00 C ATOM 1619 CE2 TYR A 102 109.760 -2.681 -4.606 1.00 0.00 C ATOM 1620 CZ TYR A 102 110.563 -1.648 -4.115 1.00 0.00 C ATOM 1621 OH TYR A 102 111.414 -1.879 -3.055 1.00 0.00 O ATOM 0 H TYR A 102 110.301 -1.677 -7.921 1.00 0.00 H new ATOM 0 HA TYR A 102 108.073 -0.543 -9.542 1.00 0.00 H new ATOM 0 HB2 TYR A 102 107.130 -0.209 -7.150 1.00 0.00 H new ATOM 0 HB3 TYR A 102 107.330 -1.877 -7.651 1.00 0.00 H new ATOM 0 HD1 TYR A 102 109.574 0.834 -6.215 1.00 0.00 H new ATOM 0 HD2 TYR A 102 108.289 -3.258 -6.061 1.00 0.00 H new ATOM 0 HE1 TYR A 102 111.116 0.418 -4.320 1.00 0.00 H new ATOM 0 HE2 TYR A 102 109.805 -3.660 -4.152 1.00 0.00 H new ATOM 0 HH TYR A 102 111.037 -2.577 -2.479 1.00 0.00 H new ATOM 1631 N VAL A 103 108.164 1.784 -8.111 1.00 0.00 N ATOM 1632 CA VAL A 103 108.490 3.205 -7.820 1.00 0.00 C ATOM 1633 C VAL A 103 107.798 3.626 -6.540 1.00 0.00 C ATOM 1634 O VAL A 103 106.593 3.761 -6.487 1.00 0.00 O ATOM 1635 CB VAL A 103 108.001 4.085 -8.954 1.00 0.00 C ATOM 1636 CG1 VAL A 103 108.918 5.307 -9.111 1.00 0.00 C ATOM 1637 CG2 VAL A 103 107.991 3.251 -10.223 1.00 0.00 C ATOM 0 H VAL A 103 107.170 1.557 -8.081 1.00 0.00 H new ATOM 0 HA VAL A 103 109.570 3.310 -7.713 1.00 0.00 H new ATOM 0 HB VAL A 103 106.996 4.452 -8.745 1.00 0.00 H new ATOM 0 HG11 VAL A 103 108.556 5.931 -9.928 1.00 0.00 H new ATOM 0 HG12 VAL A 103 108.917 5.884 -8.186 1.00 0.00 H new ATOM 0 HG13 VAL A 103 109.933 4.975 -9.330 1.00 0.00 H new ATOM 0 HG21 VAL A 103 107.642 3.861 -11.056 1.00 0.00 H new ATOM 0 HG22 VAL A 103 108.999 2.894 -10.432 1.00 0.00 H new ATOM 0 HG23 VAL A 103 107.324 2.399 -10.093 1.00 0.00 H new ATOM 1647 N VAL A 104 108.555 3.850 -5.517 1.00 0.00 N ATOM 1648 CA VAL A 104 107.949 4.286 -4.230 1.00 0.00 C ATOM 1649 C VAL A 104 108.382 5.729 -3.949 1.00 0.00 C ATOM 1650 O VAL A 104 109.474 6.136 -4.294 1.00 0.00 O ATOM 1651 CB VAL A 104 108.375 3.334 -3.087 1.00 0.00 C ATOM 1652 CG1 VAL A 104 109.338 2.272 -3.619 1.00 0.00 C ATOM 1653 CG2 VAL A 104 109.053 4.112 -1.956 1.00 0.00 C ATOM 0 H VAL A 104 109.570 3.752 -5.509 1.00 0.00 H new ATOM 0 HA VAL A 104 106.862 4.249 -4.294 1.00 0.00 H new ATOM 0 HB VAL A 104 107.479 2.852 -2.696 1.00 0.00 H new ATOM 0 HG11 VAL A 104 109.632 1.607 -2.807 1.00 0.00 H new ATOM 0 HG12 VAL A 104 108.846 1.694 -4.401 1.00 0.00 H new ATOM 0 HG13 VAL A 104 110.224 2.757 -4.029 1.00 0.00 H new ATOM 0 HG21 VAL A 104 109.344 3.422 -1.164 1.00 0.00 H new ATOM 0 HG22 VAL A 104 109.939 4.616 -2.342 1.00 0.00 H new ATOM 0 HG23 VAL A 104 108.359 4.852 -1.557 1.00 0.00 H new ATOM 1663 N ALA A 105 107.534 6.511 -3.333 1.00 0.00 N ATOM 1664 CA ALA A 105 107.900 7.923 -3.043 1.00 0.00 C ATOM 1665 C ALA A 105 108.527 7.997 -1.659 1.00 0.00 C ATOM 1666 O ALA A 105 108.481 7.048 -0.901 1.00 0.00 O ATOM 1667 CB ALA A 105 106.649 8.803 -3.095 1.00 0.00 C ATOM 0 H ALA A 105 106.605 6.230 -3.020 1.00 0.00 H new ATOM 0 HA ALA A 105 108.612 8.279 -3.787 1.00 0.00 H new ATOM 0 HB1 ALA A 105 106.922 9.837 -2.882 1.00 0.00 H new ATOM 0 HB2 ALA A 105 106.203 8.743 -4.088 1.00 0.00 H new ATOM 0 HB3 ALA A 105 105.930 8.457 -2.352 1.00 0.00 H new ATOM 1673 N CYS A 106 109.148 9.099 -1.331 1.00 0.00 N ATOM 1674 CA CYS A 106 109.807 9.194 0.011 1.00 0.00 C ATOM 1675 C CYS A 106 109.317 10.425 0.781 1.00 0.00 C ATOM 1676 O CYS A 106 108.840 11.383 0.206 1.00 0.00 O ATOM 1677 CB CYS A 106 111.328 9.272 -0.181 1.00 0.00 C ATOM 1678 SG CYS A 106 111.743 8.853 -1.891 1.00 0.00 S ATOM 0 H CYS A 106 109.229 9.927 -1.921 1.00 0.00 H new ATOM 0 HA CYS A 106 109.548 8.309 0.592 1.00 0.00 H new ATOM 0 HB2 CYS A 106 111.684 10.275 0.056 1.00 0.00 H new ATOM 0 HB3 CYS A 106 111.827 8.587 0.504 1.00 0.00 H new ATOM 1683 N LYS A 107 109.423 10.394 2.091 1.00 0.00 N ATOM 1684 CA LYS A 107 108.955 11.549 2.908 1.00 0.00 C ATOM 1685 C LYS A 107 109.827 11.682 4.161 1.00 0.00 C ATOM 1686 O LYS A 107 110.243 10.694 4.733 1.00 0.00 O ATOM 1687 CB LYS A 107 107.502 11.280 3.332 1.00 0.00 C ATOM 1688 CG LYS A 107 107.238 11.794 4.753 1.00 0.00 C ATOM 1689 CD LYS A 107 105.727 11.900 4.994 1.00 0.00 C ATOM 1690 CE LYS A 107 105.221 13.268 4.526 1.00 0.00 C ATOM 1691 NZ LYS A 107 105.921 14.342 5.285 1.00 0.00 N ATOM 0 H LYS A 107 109.814 9.617 2.624 1.00 0.00 H new ATOM 0 HA LYS A 107 109.021 12.469 2.327 1.00 0.00 H new ATOM 0 HB2 LYS A 107 106.820 11.765 2.634 1.00 0.00 H new ATOM 0 HB3 LYS A 107 107.298 10.210 3.285 1.00 0.00 H new ATOM 0 HG2 LYS A 107 107.686 11.119 5.483 1.00 0.00 H new ATOM 0 HG3 LYS A 107 107.707 12.768 4.890 1.00 0.00 H new ATOM 0 HD2 LYS A 107 105.207 11.107 4.457 1.00 0.00 H new ATOM 0 HD3 LYS A 107 105.508 11.764 6.053 1.00 0.00 H new ATOM 0 HE2 LYS A 107 105.399 13.388 3.457 1.00 0.00 H new ATOM 0 HE3 LYS A 107 104.144 13.342 4.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 105.352 15.212 5.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 106.051 14.041 6.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 106.850 14.523 4.853 1.00 0.00 H new ATOM 1705 N PRO A 108 110.071 12.887 4.616 1.00 0.00 N ATOM 1706 CA PRO A 108 110.861 13.105 5.856 1.00 0.00 C ATOM 1707 C PRO A 108 110.167 12.430 7.055 1.00 0.00 C ATOM 1708 O PRO A 108 108.974 12.571 7.237 1.00 0.00 O ATOM 1709 CB PRO A 108 110.890 14.633 6.030 1.00 0.00 C ATOM 1710 CG PRO A 108 109.804 15.163 5.149 1.00 0.00 C ATOM 1711 CD PRO A 108 109.646 14.162 4.009 1.00 0.00 C ATOM 0 HA PRO A 108 111.863 12.680 5.797 1.00 0.00 H new ATOM 0 HB2 PRO A 108 110.721 14.912 7.070 1.00 0.00 H new ATOM 0 HB3 PRO A 108 111.860 15.041 5.744 1.00 0.00 H new ATOM 0 HG2 PRO A 108 108.872 15.270 5.704 1.00 0.00 H new ATOM 0 HG3 PRO A 108 110.062 16.150 4.766 1.00 0.00 H new ATOM 0 HD2 PRO A 108 108.616 14.115 3.654 1.00 0.00 H new ATOM 0 HD3 PRO A 108 110.266 14.426 3.153 1.00 0.00 H new ATOM 1719 N PRO A 109 110.895 11.696 7.856 1.00 0.00 N ATOM 1720 CA PRO A 109 110.321 10.988 9.033 1.00 0.00 C ATOM 1721 C PRO A 109 109.367 11.883 9.831 1.00 0.00 C ATOM 1722 O PRO A 109 109.777 12.835 10.464 1.00 0.00 O ATOM 1723 CB PRO A 109 111.549 10.616 9.867 1.00 0.00 C ATOM 1724 CG PRO A 109 112.695 10.564 8.912 1.00 0.00 C ATOM 1725 CD PRO A 109 112.339 11.469 7.732 1.00 0.00 C ATOM 0 HA PRO A 109 109.723 10.124 8.742 1.00 0.00 H new ATOM 0 HB2 PRO A 109 111.727 11.353 10.650 1.00 0.00 H new ATOM 0 HB3 PRO A 109 111.409 9.654 10.361 1.00 0.00 H new ATOM 0 HG2 PRO A 109 113.613 10.902 9.393 1.00 0.00 H new ATOM 0 HG3 PRO A 109 112.869 9.542 8.575 1.00 0.00 H new ATOM 0 HD2 PRO A 109 112.892 12.408 7.772 1.00 0.00 H new ATOM 0 HD3 PRO A 109 112.585 10.995 6.782 1.00 0.00 H new ATOM 1733 N GLN A 110 108.094 11.585 9.804 1.00 0.00 N ATOM 1734 CA GLN A 110 107.118 12.420 10.559 1.00 0.00 C ATOM 1735 C GLN A 110 107.608 12.582 11.996 1.00 0.00 C ATOM 1736 O GLN A 110 108.249 13.554 12.343 1.00 0.00 O ATOM 1737 CB GLN A 110 105.746 11.734 10.569 1.00 0.00 C ATOM 1738 CG GLN A 110 105.344 11.344 9.146 1.00 0.00 C ATOM 1739 CD GLN A 110 104.808 12.572 8.409 1.00 0.00 C ATOM 1740 OE1 GLN A 110 105.562 13.449 8.036 1.00 0.00 O ATOM 1741 NE2 GLN A 110 103.527 12.674 8.181 1.00 0.00 N ATOM 0 H GLN A 110 107.690 10.801 9.292 1.00 0.00 H new ATOM 0 HA GLN A 110 107.030 13.396 10.082 1.00 0.00 H new ATOM 0 HB2 GLN A 110 105.779 10.847 11.202 1.00 0.00 H new ATOM 0 HB3 GLN A 110 104.999 12.403 10.996 1.00 0.00 H new ATOM 0 HG2 GLN A 110 106.203 10.934 8.614 1.00 0.00 H new ATOM 0 HG3 GLN A 110 104.584 10.563 9.173 1.00 0.00 H new ATOM 0 HE21 GLN A 110 102.893 11.938 8.494 1.00 0.00 H new ATOM 0 HE22 GLN A 110 103.160 13.489 7.690 1.00 0.00 H new ATOM 1750 N LYS A 111 107.316 11.625 12.830 1.00 0.00 N ATOM 1751 CA LYS A 111 107.762 11.693 14.247 1.00 0.00 C ATOM 1752 C LYS A 111 108.181 10.296 14.697 1.00 0.00 C ATOM 1753 O LYS A 111 109.097 10.134 15.479 1.00 0.00 O ATOM 1754 CB LYS A 111 106.613 12.189 15.129 1.00 0.00 C ATOM 1755 CG LYS A 111 105.277 11.630 14.613 1.00 0.00 C ATOM 1756 CD LYS A 111 104.594 12.659 13.703 1.00 0.00 C ATOM 1757 CE LYS A 111 103.798 13.654 14.553 1.00 0.00 C ATOM 1758 NZ LYS A 111 102.528 13.017 15.002 1.00 0.00 N ATOM 0 H LYS A 111 106.782 10.791 12.587 1.00 0.00 H new ATOM 0 HA LYS A 111 108.602 12.382 14.336 1.00 0.00 H new ATOM 0 HB2 LYS A 111 106.774 11.876 16.161 1.00 0.00 H new ATOM 0 HB3 LYS A 111 106.586 13.279 15.127 1.00 0.00 H new ATOM 0 HG2 LYS A 111 105.449 10.704 14.064 1.00 0.00 H new ATOM 0 HG3 LYS A 111 104.626 11.387 15.453 1.00 0.00 H new ATOM 0 HD2 LYS A 111 105.341 13.188 13.111 1.00 0.00 H new ATOM 0 HD3 LYS A 111 103.931 12.154 13.001 1.00 0.00 H new ATOM 0 HE2 LYS A 111 104.387 13.964 15.416 1.00 0.00 H new ATOM 0 HE3 LYS A 111 103.582 14.552 13.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 101.866 13.752 15.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 102.105 12.491 14.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 102.726 12.363 15.786 1.00 0.00 H new ATOM 1772 N LYS A 112 107.520 9.283 14.206 1.00 0.00 N ATOM 1773 CA LYS A 112 107.890 7.903 14.607 1.00 0.00 C ATOM 1774 C LYS A 112 109.327 7.629 14.157 1.00 0.00 C ATOM 1775 O LYS A 112 110.085 6.998 14.862 1.00 0.00 O ATOM 1776 CB LYS A 112 106.919 6.901 13.961 1.00 0.00 C ATOM 1777 CG LYS A 112 106.449 5.886 15.005 1.00 0.00 C ATOM 1778 CD LYS A 112 107.592 4.925 15.337 1.00 0.00 C ATOM 1779 CE LYS A 112 107.079 3.821 16.263 1.00 0.00 C ATOM 1780 NZ LYS A 112 108.134 2.782 16.430 1.00 0.00 N ATOM 0 H LYS A 112 106.744 9.354 13.548 1.00 0.00 H new ATOM 0 HA LYS A 112 107.826 7.794 15.690 1.00 0.00 H new ATOM 0 HB2 LYS A 112 106.062 7.429 13.543 1.00 0.00 H new ATOM 0 HB3 LYS A 112 107.410 6.386 13.135 1.00 0.00 H new ATOM 0 HG2 LYS A 112 106.121 6.402 15.907 1.00 0.00 H new ATOM 0 HG3 LYS A 112 105.591 5.330 14.626 1.00 0.00 H new ATOM 0 HD2 LYS A 112 107.992 4.489 14.422 1.00 0.00 H new ATOM 0 HD3 LYS A 112 108.408 5.466 15.816 1.00 0.00 H new ATOM 0 HE2 LYS A 112 106.810 4.241 17.232 1.00 0.00 H new ATOM 0 HE3 LYS A 112 106.176 3.374 15.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 107.785 2.031 17.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 108.370 2.374 15.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 108.984 3.214 16.844 1.00 0.00 H new ATOM 1794 N ASP A 113 109.705 8.118 12.995 1.00 0.00 N ATOM 1795 CA ASP A 113 111.105 7.911 12.490 1.00 0.00 C ATOM 1796 C ASP A 113 111.737 6.671 13.130 1.00 0.00 C ATOM 1797 O ASP A 113 112.154 6.693 14.271 1.00 0.00 O ATOM 1798 CB ASP A 113 111.948 9.140 12.838 1.00 0.00 C ATOM 1799 CG ASP A 113 113.254 9.110 12.043 1.00 0.00 C ATOM 1800 OD1 ASP A 113 113.798 8.031 11.875 1.00 0.00 O ATOM 1801 OD2 ASP A 113 113.687 10.167 11.615 1.00 0.00 O ATOM 0 H ASP A 113 109.101 8.654 12.372 1.00 0.00 H new ATOM 0 HA ASP A 113 111.070 7.766 11.410 1.00 0.00 H new ATOM 0 HB2 ASP A 113 111.393 10.050 12.610 1.00 0.00 H new ATOM 0 HB3 ASP A 113 112.162 9.156 13.907 1.00 0.00 H new ATOM 1806 N SER A 114 111.810 5.590 12.407 1.00 0.00 N ATOM 1807 CA SER A 114 112.407 4.358 12.990 1.00 0.00 C ATOM 1808 C SER A 114 113.871 4.599 13.363 1.00 0.00 C ATOM 1809 O SER A 114 114.456 3.839 14.109 1.00 0.00 O ATOM 1810 CB SER A 114 112.295 3.199 11.993 1.00 0.00 C ATOM 1811 OG SER A 114 111.492 2.173 12.561 1.00 0.00 O ATOM 0 H SER A 114 111.485 5.506 11.444 1.00 0.00 H new ATOM 0 HA SER A 114 111.859 4.098 13.896 1.00 0.00 H new ATOM 0 HB2 SER A 114 111.854 3.548 11.059 1.00 0.00 H new ATOM 0 HB3 SER A 114 113.285 2.812 11.753 1.00 0.00 H new ATOM 0 HG SER A 114 111.415 1.429 11.927 1.00 0.00 H new ATOM 1817 N GLN A 115 114.472 5.647 12.871 1.00 0.00 N ATOM 1818 CA GLN A 115 115.893 5.900 13.238 1.00 0.00 C ATOM 1819 C GLN A 115 116.338 7.285 12.761 1.00 0.00 C ATOM 1820 O GLN A 115 116.823 8.077 13.540 1.00 0.00 O ATOM 1821 CB GLN A 115 116.794 4.828 12.611 1.00 0.00 C ATOM 1822 CG GLN A 115 116.245 4.416 11.245 1.00 0.00 C ATOM 1823 CD GLN A 115 117.250 3.496 10.549 1.00 0.00 C ATOM 1824 OE1 GLN A 115 118.441 3.732 10.596 1.00 0.00 O ATOM 1825 NE2 GLN A 115 116.818 2.451 9.899 1.00 0.00 N ATOM 0 H GLN A 115 114.049 6.329 12.241 1.00 0.00 H new ATOM 0 HA GLN A 115 115.979 5.859 14.324 1.00 0.00 H new ATOM 0 HB2 GLN A 115 117.809 5.212 12.504 1.00 0.00 H new ATOM 0 HB3 GLN A 115 116.850 3.959 13.267 1.00 0.00 H new ATOM 0 HG2 GLN A 115 115.290 3.905 11.364 1.00 0.00 H new ATOM 0 HG3 GLN A 115 116.060 5.299 10.634 1.00 0.00 H new ATOM 0 HE21 GLN A 115 115.818 2.252 9.859 1.00 0.00 H new ATOM 0 HE22 GLN A 115 117.480 1.832 9.430 1.00 0.00 H new ATOM 1834 N GLN A 116 116.194 7.580 11.493 1.00 0.00 N ATOM 1835 CA GLN A 116 116.643 8.923 10.983 1.00 0.00 C ATOM 1836 C GLN A 116 116.770 8.911 9.453 1.00 0.00 C ATOM 1837 O GLN A 116 117.570 9.633 8.891 1.00 0.00 O ATOM 1838 CB GLN A 116 118.027 9.243 11.558 1.00 0.00 C ATOM 1839 CG GLN A 116 118.930 8.011 11.404 1.00 0.00 C ATOM 1840 CD GLN A 116 120.397 8.446 11.404 1.00 0.00 C ATOM 1841 OE1 GLN A 116 120.968 8.697 10.361 1.00 0.00 O ATOM 1842 NE2 GLN A 116 121.036 8.546 12.538 1.00 0.00 N ATOM 0 H GLN A 116 115.790 6.960 10.791 1.00 0.00 H new ATOM 0 HA GLN A 116 115.905 9.665 11.286 1.00 0.00 H new ATOM 0 HB2 GLN A 116 118.463 10.096 11.038 1.00 0.00 H new ATOM 0 HB3 GLN A 116 117.943 9.519 12.609 1.00 0.00 H new ATOM 0 HG2 GLN A 116 118.748 7.310 12.219 1.00 0.00 H new ATOM 0 HG3 GLN A 116 118.695 7.489 10.476 1.00 0.00 H new ATOM 0 HE21 GLN A 116 120.557 8.335 13.414 1.00 0.00 H new ATOM 0 HE22 GLN A 116 122.014 8.835 12.548 1.00 0.00 H new ATOM 1851 N PHE A 117 116.018 8.097 8.777 1.00 0.00 N ATOM 1852 CA PHE A 117 116.132 8.042 7.286 1.00 0.00 C ATOM 1853 C PHE A 117 116.214 9.448 6.689 1.00 0.00 C ATOM 1854 O PHE A 117 117.243 9.840 6.181 1.00 0.00 O ATOM 1855 CB PHE A 117 114.920 7.321 6.711 1.00 0.00 C ATOM 1856 CG PHE A 117 114.664 6.089 7.536 1.00 0.00 C ATOM 1857 CD1 PHE A 117 113.998 6.196 8.760 1.00 0.00 C ATOM 1858 CD2 PHE A 117 115.111 4.843 7.086 1.00 0.00 C ATOM 1859 CE1 PHE A 117 113.775 5.057 9.535 1.00 0.00 C ATOM 1860 CE2 PHE A 117 114.889 3.702 7.861 1.00 0.00 C ATOM 1861 CZ PHE A 117 114.221 3.807 9.084 1.00 0.00 C ATOM 0 H PHE A 117 115.328 7.466 9.185 1.00 0.00 H new ATOM 0 HA PHE A 117 117.045 7.504 7.031 1.00 0.00 H new ATOM 0 HB2 PHE A 117 114.048 7.975 6.725 1.00 0.00 H new ATOM 0 HB3 PHE A 117 115.098 7.050 5.670 1.00 0.00 H new ATOM 0 HD1 PHE A 117 113.656 7.160 9.106 1.00 0.00 H new ATOM 0 HD2 PHE A 117 115.627 4.763 6.141 1.00 0.00 H new ATOM 0 HE1 PHE A 117 113.260 5.139 10.481 1.00 0.00 H new ATOM 0 HE2 PHE A 117 115.234 2.739 7.515 1.00 0.00 H new ATOM 0 HZ PHE A 117 114.048 2.924 9.682 1.00 0.00 H new ATOM 1871 N HIS A 118 115.127 10.188 6.711 1.00 0.00 N ATOM 1872 CA HIS A 118 115.115 11.567 6.107 1.00 0.00 C ATOM 1873 C HIS A 118 114.531 11.446 4.705 1.00 0.00 C ATOM 1874 O HIS A 118 114.765 12.264 3.840 1.00 0.00 O ATOM 1875 CB HIS A 118 116.532 12.157 6.027 1.00 0.00 C ATOM 1876 CG HIS A 118 116.443 13.652 5.880 1.00 0.00 C ATOM 1877 ND1 HIS A 118 117.038 14.328 4.823 1.00 0.00 N ATOM 1878 CD2 HIS A 118 115.834 14.615 6.646 1.00 0.00 C ATOM 1879 CE1 HIS A 118 116.776 15.639 4.981 1.00 0.00 C ATOM 1880 NE2 HIS A 118 116.047 15.865 6.075 1.00 0.00 N ATOM 0 H HIS A 118 114.241 9.896 7.124 1.00 0.00 H new ATOM 0 HA HIS A 118 114.519 12.234 6.730 1.00 0.00 H new ATOM 0 HB2 HIS A 118 117.095 11.902 6.924 1.00 0.00 H new ATOM 0 HB3 HIS A 118 117.069 11.729 5.181 1.00 0.00 H new ATOM 0 HD2 HIS A 118 115.276 14.430 7.552 1.00 0.00 H new ATOM 0 HE1 HIS A 118 117.114 16.411 4.306 1.00 0.00 H new ATOM 0 HE2 HIS A 118 115.715 16.766 6.420 1.00 0.00 H new ATOM 1889 N LEU A 119 113.774 10.402 4.498 1.00 0.00 N ATOM 1890 CA LEU A 119 113.141 10.128 3.170 1.00 0.00 C ATOM 1891 C LEU A 119 112.528 8.734 3.250 1.00 0.00 C ATOM 1892 O LEU A 119 112.590 7.941 2.336 1.00 0.00 O ATOM 1893 CB LEU A 119 114.200 10.207 2.045 1.00 0.00 C ATOM 1894 CG LEU A 119 115.126 8.953 1.956 1.00 0.00 C ATOM 1895 CD1 LEU A 119 115.143 8.123 3.252 1.00 0.00 C ATOM 1896 CD2 LEU A 119 114.699 8.051 0.783 1.00 0.00 C ATOM 0 H LEU A 119 113.561 9.707 5.213 1.00 0.00 H new ATOM 0 HA LEU A 119 112.374 10.867 2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 119 113.692 10.339 1.090 1.00 0.00 H new ATOM 0 HB3 LEU A 119 114.817 11.091 2.202 1.00 0.00 H new ATOM 0 HG LEU A 119 116.135 9.331 1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 119 115.804 7.266 3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 119 115.502 8.741 4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 119 114.135 7.774 3.474 1.00 0.00 H new ATOM 0 HD21 LEU A 119 115.355 7.182 0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 119 113.671 7.722 0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 119 114.769 8.610 -0.150 1.00 0.00 H new ATOM 1908 N VAL A 120 111.967 8.439 4.379 1.00 0.00 N ATOM 1909 CA VAL A 120 111.368 7.103 4.630 1.00 0.00 C ATOM 1910 C VAL A 120 110.537 6.634 3.426 1.00 0.00 C ATOM 1911 O VAL A 120 110.043 7.436 2.662 1.00 0.00 O ATOM 1912 CB VAL A 120 110.494 7.236 5.879 1.00 0.00 C ATOM 1913 CG1 VAL A 120 111.375 7.716 7.038 1.00 0.00 C ATOM 1914 CG2 VAL A 120 109.378 8.268 5.629 1.00 0.00 C ATOM 0 H VAL A 120 111.895 9.086 5.164 1.00 0.00 H new ATOM 0 HA VAL A 120 112.147 6.355 4.780 1.00 0.00 H new ATOM 0 HB VAL A 120 110.041 6.274 6.118 1.00 0.00 H new ATOM 0 HG11 VAL A 120 110.769 7.817 7.938 1.00 0.00 H new ATOM 0 HG12 VAL A 120 112.170 6.991 7.215 1.00 0.00 H new ATOM 0 HG13 VAL A 120 111.814 8.681 6.786 1.00 0.00 H new ATOM 0 HG21 VAL A 120 108.759 8.358 6.522 1.00 0.00 H new ATOM 0 HG22 VAL A 120 109.823 9.236 5.396 1.00 0.00 H new ATOM 0 HG23 VAL A 120 108.761 7.941 4.792 1.00 0.00 H new ATOM 1924 N PRO A 121 110.371 5.336 3.264 1.00 0.00 N ATOM 1925 CA PRO A 121 109.571 4.765 2.145 1.00 0.00 C ATOM 1926 C PRO A 121 108.092 4.973 2.438 1.00 0.00 C ATOM 1927 O PRO A 121 107.479 4.233 3.180 1.00 0.00 O ATOM 1928 CB PRO A 121 109.946 3.282 2.149 1.00 0.00 C ATOM 1929 CG PRO A 121 110.318 2.986 3.561 1.00 0.00 C ATOM 1930 CD PRO A 121 110.916 4.275 4.130 1.00 0.00 C ATOM 0 HA PRO A 121 109.765 5.225 1.176 1.00 0.00 H new ATOM 0 HB2 PRO A 121 109.111 2.662 1.822 1.00 0.00 H new ATOM 0 HB3 PRO A 121 110.776 3.082 1.471 1.00 0.00 H new ATOM 0 HG2 PRO A 121 109.445 2.676 4.136 1.00 0.00 H new ATOM 0 HG3 PRO A 121 111.038 2.169 3.610 1.00 0.00 H new ATOM 0 HD2 PRO A 121 110.628 4.423 5.171 1.00 0.00 H new ATOM 0 HD3 PRO A 121 112.005 4.256 4.100 1.00 0.00 H new ATOM 1938 N VAL A 122 107.542 6.029 1.923 1.00 0.00 N ATOM 1939 CA VAL A 122 106.132 6.369 2.228 1.00 0.00 C ATOM 1940 C VAL A 122 105.153 5.784 1.207 1.00 0.00 C ATOM 1941 O VAL A 122 104.506 4.793 1.465 1.00 0.00 O ATOM 1942 CB VAL A 122 106.023 7.907 2.280 1.00 0.00 C ATOM 1943 CG1 VAL A 122 107.178 8.522 1.503 1.00 0.00 C ATOM 1944 CG2 VAL A 122 104.716 8.398 1.664 1.00 0.00 C ATOM 0 H VAL A 122 108.015 6.679 1.296 1.00 0.00 H new ATOM 0 HA VAL A 122 105.857 5.929 3.186 1.00 0.00 H new ATOM 0 HB VAL A 122 106.053 8.207 3.328 1.00 0.00 H new ATOM 0 HG11 VAL A 122 107.103 9.609 1.539 1.00 0.00 H new ATOM 0 HG12 VAL A 122 108.123 8.209 1.947 1.00 0.00 H new ATOM 0 HG13 VAL A 122 107.137 8.189 0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 122 104.674 9.486 1.718 1.00 0.00 H new ATOM 0 HG22 VAL A 122 104.665 8.085 0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 122 103.874 7.975 2.212 1.00 0.00 H new ATOM 1954 N HIS A 123 104.982 6.421 0.089 1.00 0.00 N ATOM 1955 CA HIS A 123 103.972 5.935 -0.893 1.00 0.00 C ATOM 1956 C HIS A 123 104.584 5.022 -1.946 1.00 0.00 C ATOM 1957 O HIS A 123 105.782 4.868 -2.053 1.00 0.00 O ATOM 1958 CB HIS A 123 103.345 7.146 -1.589 1.00 0.00 C ATOM 1959 CG HIS A 123 102.074 6.736 -2.283 1.00 0.00 C ATOM 1960 ND1 HIS A 123 102.077 6.085 -3.510 1.00 0.00 N ATOM 1961 CD2 HIS A 123 100.753 6.883 -1.939 1.00 0.00 C ATOM 1962 CE1 HIS A 123 100.794 5.867 -3.856 1.00 0.00 C ATOM 1963 NE2 HIS A 123 99.951 6.333 -2.933 1.00 0.00 N ATOM 0 H HIS A 123 105.495 7.257 -0.191 1.00 0.00 H new ATOM 0 HA HIS A 123 103.224 5.358 -0.349 1.00 0.00 H new ATOM 0 HB2 HIS A 123 103.135 7.928 -0.859 1.00 0.00 H new ATOM 0 HB3 HIS A 123 104.046 7.564 -2.312 1.00 0.00 H new ATOM 0 HD2 HIS A 123 100.392 7.353 -1.036 1.00 0.00 H new ATOM 0 HE1 HIS A 123 100.486 5.376 -4.767 1.00 0.00 H new ATOM 0 HE2 HIS A 123 98.932 6.294 -2.952 1.00 0.00 H new ATOM 1972 N LEU A 124 103.733 4.439 -2.741 1.00 0.00 N ATOM 1973 CA LEU A 124 104.177 3.550 -3.841 1.00 0.00 C ATOM 1974 C LEU A 124 103.625 4.144 -5.135 1.00 0.00 C ATOM 1975 O LEU A 124 102.431 4.149 -5.360 1.00 0.00 O ATOM 1976 CB LEU A 124 103.620 2.143 -3.623 1.00 0.00 C ATOM 1977 CG LEU A 124 103.906 1.278 -4.872 1.00 0.00 C ATOM 1978 CD1 LEU A 124 104.510 -0.076 -4.464 1.00 0.00 C ATOM 1979 CD2 LEU A 124 102.607 1.047 -5.658 1.00 0.00 C ATOM 0 H LEU A 124 102.721 4.547 -2.669 1.00 0.00 H new ATOM 0 HA LEU A 124 105.264 3.477 -3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 124 104.077 1.692 -2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 124 102.547 2.190 -3.437 1.00 0.00 H new ATOM 0 HG LEU A 124 104.622 1.807 -5.502 1.00 0.00 H new ATOM 0 HD11 LEU A 124 104.705 -0.671 -5.356 1.00 0.00 H new ATOM 0 HD12 LEU A 124 105.444 0.089 -3.927 1.00 0.00 H new ATOM 0 HD13 LEU A 124 103.810 -0.607 -3.819 1.00 0.00 H new ATOM 0 HD21 LEU A 124 102.817 0.437 -6.536 1.00 0.00 H new ATOM 0 HD22 LEU A 124 101.884 0.534 -5.024 1.00 0.00 H new ATOM 0 HD23 LEU A 124 102.196 2.007 -5.972 1.00 0.00 H new ATOM 1991 N ASP A 125 104.466 4.685 -5.972 1.00 0.00 N ATOM 1992 CA ASP A 125 103.949 5.316 -7.217 1.00 0.00 C ATOM 1993 C ASP A 125 103.429 4.247 -8.180 1.00 0.00 C ATOM 1994 O ASP A 125 102.349 4.370 -8.724 1.00 0.00 O ATOM 1995 CB ASP A 125 105.066 6.131 -7.880 1.00 0.00 C ATOM 1996 CG ASP A 125 104.556 7.540 -8.195 1.00 0.00 C ATOM 1997 OD1 ASP A 125 104.163 8.227 -7.267 1.00 0.00 O ATOM 1998 OD2 ASP A 125 104.567 7.906 -9.359 1.00 0.00 O ATOM 0 H ASP A 125 105.478 4.718 -5.850 1.00 0.00 H new ATOM 0 HA ASP A 125 103.122 5.980 -6.964 1.00 0.00 H new ATOM 0 HB2 ASP A 125 105.931 6.186 -7.219 1.00 0.00 H new ATOM 0 HB3 ASP A 125 105.395 5.639 -8.796 1.00 0.00 H new ATOM 2003 N ARG A 126 104.177 3.205 -8.406 1.00 0.00 N ATOM 2004 CA ARG A 126 103.695 2.155 -9.344 1.00 0.00 C ATOM 2005 C ARG A 126 104.638 0.960 -9.337 1.00 0.00 C ATOM 2006 O ARG A 126 105.623 0.935 -8.633 1.00 0.00 O ATOM 2007 CB ARG A 126 103.612 2.720 -10.763 1.00 0.00 C ATOM 2008 CG ARG A 126 104.909 3.451 -11.134 1.00 0.00 C ATOM 2009 CD ARG A 126 104.596 4.595 -12.103 1.00 0.00 C ATOM 2010 NE ARG A 126 105.868 5.224 -12.556 1.00 0.00 N ATOM 2011 CZ ARG A 126 106.571 4.667 -13.504 1.00 0.00 C ATOM 2012 NH1 ARG A 126 106.160 3.557 -14.055 1.00 0.00 N ATOM 2013 NH2 ARG A 126 107.685 5.218 -13.901 1.00 0.00 N ATOM 0 H ARG A 126 105.091 3.035 -7.987 1.00 0.00 H new ATOM 0 HA ARG A 126 102.706 1.833 -9.018 1.00 0.00 H new ATOM 0 HB2 ARG A 126 103.429 1.912 -11.471 1.00 0.00 H new ATOM 0 HB3 ARG A 126 102.768 3.406 -10.838 1.00 0.00 H new ATOM 0 HG2 ARG A 126 105.387 3.842 -10.236 1.00 0.00 H new ATOM 0 HG3 ARG A 126 105.612 2.755 -11.592 1.00 0.00 H new ATOM 0 HD2 ARG A 126 104.039 4.217 -12.960 1.00 0.00 H new ATOM 0 HD3 ARG A 126 103.965 5.337 -11.614 1.00 0.00 H new ATOM 0 HE ARG A 126 106.190 6.091 -12.125 1.00 0.00 H new ATOM 0 HH11 ARG A 126 105.290 3.125 -13.745 1.00 0.00 H new ATOM 0 HH12 ARG A 126 106.709 3.122 -14.796 1.00 0.00 H new ATOM 0 HH21 ARG A 126 108.007 6.085 -13.470 1.00 0.00 H new ATOM 0 HH22 ARG A 126 108.234 4.782 -14.642 1.00 0.00 H new ATOM 2027 N VAL A 127 104.329 -0.038 -10.118 1.00 0.00 N ATOM 2028 CA VAL A 127 105.191 -1.250 -10.174 1.00 0.00 C ATOM 2029 C VAL A 127 105.751 -1.397 -11.593 1.00 0.00 C ATOM 2030 O VAL A 127 105.051 -1.198 -12.567 1.00 0.00 O ATOM 2031 CB VAL A 127 104.353 -2.476 -9.801 1.00 0.00 C ATOM 2032 CG1 VAL A 127 105.199 -3.439 -8.969 1.00 0.00 C ATOM 2033 CG2 VAL A 127 103.150 -2.026 -8.970 1.00 0.00 C ATOM 0 H VAL A 127 103.509 -0.065 -10.724 1.00 0.00 H new ATOM 0 HA VAL A 127 106.020 -1.160 -9.472 1.00 0.00 H new ATOM 0 HB VAL A 127 104.015 -2.976 -10.709 1.00 0.00 H new ATOM 0 HG11 VAL A 127 104.602 -4.312 -8.704 1.00 0.00 H new ATOM 0 HG12 VAL A 127 106.066 -3.755 -9.549 1.00 0.00 H new ATOM 0 HG13 VAL A 127 105.533 -2.938 -8.060 1.00 0.00 H new ATOM 0 HG21 VAL A 127 102.549 -2.894 -8.701 1.00 0.00 H new ATOM 0 HG22 VAL A 127 103.499 -1.531 -8.064 1.00 0.00 H new ATOM 0 HG23 VAL A 127 102.544 -1.332 -9.553 1.00 0.00 H new ATOM 2043 N LEU A 128 107.009 -1.733 -11.717 1.00 0.00 N ATOM 2044 CA LEU A 128 107.621 -1.882 -13.073 1.00 0.00 C ATOM 2045 C LEU A 128 108.296 -3.251 -13.176 1.00 0.00 C ATOM 2046 O LEU A 128 109.339 -3.423 -12.566 1.00 0.00 O ATOM 2047 CB LEU A 128 108.665 -0.769 -13.282 1.00 0.00 C ATOM 2048 CG LEU A 128 108.467 -0.110 -14.650 1.00 0.00 C ATOM 2049 CD1 LEU A 128 109.368 1.122 -14.757 1.00 0.00 C ATOM 2050 CD2 LEU A 128 108.837 -1.106 -15.751 1.00 0.00 C ATOM 2051 OXT LEU A 128 107.760 -4.104 -13.865 1.00 0.00 O ATOM 0 H LEU A 128 107.641 -1.911 -10.936 1.00 0.00 H new ATOM 0 HA LEU A 128 106.849 -1.803 -13.839 1.00 0.00 H new ATOM 0 HB2 LEU A 128 108.574 -0.022 -12.494 1.00 0.00 H new ATOM 0 HB3 LEU A 128 109.670 -1.185 -13.212 1.00 0.00 H new ATOM 0 HG LEU A 128 107.425 0.190 -14.763 1.00 0.00 H new ATOM 0 HD11 LEU A 128 109.228 1.592 -15.730 1.00 0.00 H new ATOM 0 HD12 LEU A 128 109.109 1.831 -13.971 1.00 0.00 H new ATOM 0 HD13 LEU A 128 110.410 0.822 -14.646 1.00 0.00 H new ATOM 0 HD21 LEU A 128 108.697 -0.639 -16.726 1.00 0.00 H new ATOM 0 HD22 LEU A 128 109.880 -1.403 -15.637 1.00 0.00 H new ATOM 0 HD23 LEU A 128 108.199 -1.986 -15.675 1.00 0.00 H new