USER MOD reduce.3.24.130724 H: found=0, std=0, add=991, rem=0, adj=36 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 72 SER OG : rot 97:sc= 1.88 USER MOD Set 1.2: A 101 SER OG : rot -39:sc= -0.634! USER MOD Set 2.1: A 77 SER OG : rot -43:sc= 0.931 USER MOD Set 2.2: A 99 ASN : amide:sc= 0.157 K(o=1.1,f=-1.5) USER MOD Set 3.1: A 80 MET CE :methyl 176:sc= -0.607 (180deg=-0.684) USER MOD Set 3.2: A 98 GLN : amide:sc= -0.35 K(o=-0.96,f=-2.4!) USER MOD Set 4.1: A 27 MET CE :methyl 164:sc= -6.4! (180deg=-2.18) USER MOD Set 4.2: A 31 ASN : amide:sc= -17.4! C(o=-36!,f=-47!) USER MOD Set 4.3: A 41 ASN : amide:sc= -8.15! C(o=-36!,f=-47!) USER MOD Set 4.4: A 93 TYR OH : rot -144:sc= -4.05! USER MOD Set 5.1: A 57 THR OG1 : rot -83:sc= -3.61! USER MOD Set 5.2: A 73 HIS : no HE2:sc= -2.93! C(o=-6.5!,f=-8.5!) USER MOD Set 6.1: A 49 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 115 GLN : amide:sc= 0 X(o=0,f=0.47) USER MOD Set 7.1: A 17 GLN : amide:sc= -9.8! C(o=-13!,f=-11!) USER MOD Set 7.2: A 45 HIS : no HD1:sc= -2.99! K(o=-13!,f=-8.7) USER MOD Set 8.1: A 15 HIS : no HD1:sc= -12.5! C(o=-13!,f=-11!) USER MOD Set 8.2: A 42 THR OG1 : rot 180:sc= -0.879 USER MOD Set 9.1: A 9 GLN : amide:sc= 0.51 K(o=1.7,f=-14!) USER MOD Set 9.2: A 12 LYS NZ :NH3+ -140:sc= 1.22 (180deg=-0.88) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -70:sc= -1.62 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 17:sc= -8.56! USER MOD Single : A 14 GLN : amide:sc= -12.1! C(o=-12!,f=-7!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 102:sc= -0.109! USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= -5.44! C(o=-5.4!,f=-11!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -123:sc= -0.884! (180deg=-2.46!) USER MOD Single : A 29 ASN : amide:sc= -0.665 K(o=-0.67,f=-3!) USER MOD Single : A 32 LYS NZ :NH3+ -163:sc= -0.0983 (180deg=-0.926) USER MOD Single : A 33 HIS : no HD1:sc= -3.99! C(o=-4!,f=-5.1!) USER MOD Single : A 34 THR OG1 : rot -92:sc= 0.4 USER MOD Single : A 35 LYS NZ :NH3+ -150:sc= 0.0174 (180deg=-0.426) USER MOD Single : A 38 LYS NZ :NH3+ 164:sc=-0.00111 (180deg=-0.0897) USER MOD Single : A 50 SER OG : rot 170:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 161:sc= -0.0579 (180deg=-0.502) USER MOD Single : A 64 ASN : amide:sc= -1.77! K(o=-1.8!,f=-0.97) USER MOD Single : A 67 LYS NZ :NH3+ -162:sc= 0.812 (180deg=0.292) USER MOD Single : A 68 ASN : amide:sc= -3.23! K(o=-3.2!,f=-1.8) USER MOD Single : A 70 HIS : no HD1:sc= -17.2! C(o=-15!,f=-21!) USER MOD Single : A 71 GLN : amide:sc= -0.0207 K(o=-0.021,f=-0.68) USER MOD Single : A 79 THR OG1 : rot 23:sc= -1.08 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -88:sc= -0.213 USER MOD Single : A 85 SER OG : rot 63:sc= 0.817 USER MOD Single : A 87 LYS NZ :NH3+ -160:sc= -0.116 (180deg=-0.721) USER MOD Single : A 88 TYR OH : rot 6:sc= -0.931 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.025) 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 100 LYS NZ :NH3+ -99:sc= -4.64! (180deg=-9.75!) USER MOD Single : A 102 TYR OH : rot -30:sc= -1.39 USER MOD Single : A 107 LYS NZ :NH3+ -161:sc= -0.0386 (180deg=-0.503) USER MOD Single : A 110 GLN : amide:sc= -0.037 X(o=-0.037,f=-0.059) USER MOD Single : A 111 LYS NZ :NH3+ -147:sc= -0.269 (180deg=-1.4!) USER MOD Single : A 112 LYS NZ :NH3+ 159:sc= -0.804 (180deg=-1.24!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 118 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.39) USER MOD Single : A 123 HIS : no HD1:sc= -6.21! C(o=-6.2!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 85 N MET A 5 103.182 5.379 13.586 1.00 0.00 N ATOM 86 CA MET A 5 102.426 5.538 12.310 1.00 0.00 C ATOM 87 C MET A 5 103.130 6.556 11.412 1.00 0.00 C ATOM 88 O MET A 5 102.496 7.282 10.673 1.00 0.00 O ATOM 89 CB MET A 5 101.009 6.025 12.611 1.00 0.00 C ATOM 90 CG MET A 5 100.244 4.939 13.369 1.00 0.00 C ATOM 91 SD MET A 5 98.515 5.438 13.559 1.00 0.00 S ATOM 92 CE MET A 5 97.922 3.913 14.333 1.00 0.00 C ATOM 0 HA MET A 5 102.382 4.576 11.800 1.00 0.00 H new ATOM 0 HB2 MET A 5 101.046 6.939 13.204 1.00 0.00 H new ATOM 0 HB3 MET A 5 100.492 6.268 11.683 1.00 0.00 H new ATOM 0 HG2 MET A 5 100.303 3.994 12.829 1.00 0.00 H new ATOM 0 HG3 MET A 5 100.696 4.777 14.347 1.00 0.00 H new ATOM 0 HE1 MET A 5 96.856 4.002 14.542 1.00 0.00 H new ATOM 0 HE2 MET A 5 98.091 3.073 13.659 1.00 0.00 H new ATOM 0 HE3 MET A 5 98.461 3.744 15.265 1.00 0.00 H new ATOM 102 N THR A 6 104.436 6.606 11.453 1.00 0.00 N ATOM 103 CA THR A 6 105.171 7.568 10.581 1.00 0.00 C ATOM 104 C THR A 6 104.565 7.508 9.173 1.00 0.00 C ATOM 105 O THR A 6 103.846 6.587 8.841 1.00 0.00 O ATOM 106 CB THR A 6 106.656 7.175 10.540 1.00 0.00 C ATOM 107 OG1 THR A 6 107.308 7.699 11.686 1.00 0.00 O ATOM 108 CG2 THR A 6 107.324 7.738 9.285 1.00 0.00 C ATOM 0 H THR A 6 105.023 6.024 12.051 1.00 0.00 H new ATOM 0 HA THR A 6 105.086 8.583 10.970 1.00 0.00 H new ATOM 0 HB THR A 6 106.733 6.088 10.525 1.00 0.00 H new ATOM 0 HG1 THR A 6 107.368 8.674 11.611 1.00 0.00 H new ATOM 0 HG21 THR A 6 108.375 7.450 9.272 1.00 0.00 H new ATOM 0 HG22 THR A 6 106.828 7.341 8.399 1.00 0.00 H new ATOM 0 HG23 THR A 6 107.246 8.825 9.288 1.00 0.00 H new ATOM 116 N SER A 7 104.838 8.473 8.339 1.00 0.00 N ATOM 117 CA SER A 7 104.259 8.437 6.966 1.00 0.00 C ATOM 118 C SER A 7 104.539 7.066 6.349 1.00 0.00 C ATOM 119 O SER A 7 103.635 6.336 5.990 1.00 0.00 O ATOM 120 CB SER A 7 104.906 9.526 6.109 1.00 0.00 C ATOM 121 OG SER A 7 104.485 9.374 4.760 1.00 0.00 O ATOM 0 H SER A 7 105.431 9.277 8.545 1.00 0.00 H new ATOM 0 HA SER A 7 103.184 8.610 7.012 1.00 0.00 H new ATOM 0 HB2 SER A 7 104.626 10.512 6.481 1.00 0.00 H new ATOM 0 HB3 SER A 7 105.992 9.458 6.173 1.00 0.00 H new ATOM 0 HG SER A 7 104.897 10.071 4.208 1.00 0.00 H new ATOM 127 N SER A 8 105.786 6.708 6.237 1.00 0.00 N ATOM 128 CA SER A 8 106.135 5.383 5.659 1.00 0.00 C ATOM 129 C SER A 8 105.485 4.275 6.479 1.00 0.00 C ATOM 130 O SER A 8 105.042 3.284 5.944 1.00 0.00 O ATOM 131 CB SER A 8 107.650 5.200 5.675 1.00 0.00 C ATOM 132 OG SER A 8 108.233 6.021 4.672 1.00 0.00 O ATOM 0 H SER A 8 106.582 7.279 6.522 1.00 0.00 H new ATOM 0 HA SER A 8 105.772 5.335 4.632 1.00 0.00 H new ATOM 0 HB2 SER A 8 108.049 5.464 6.654 1.00 0.00 H new ATOM 0 HB3 SER A 8 107.903 4.155 5.498 1.00 0.00 H new ATOM 0 HG SER A 8 107.587 6.702 4.390 1.00 0.00 H new ATOM 138 N GLN A 9 105.422 4.425 7.771 1.00 0.00 N ATOM 139 CA GLN A 9 104.792 3.357 8.593 1.00 0.00 C ATOM 140 C GLN A 9 103.376 3.107 8.076 1.00 0.00 C ATOM 141 O GLN A 9 102.998 1.993 7.792 1.00 0.00 O ATOM 142 CB GLN A 9 104.744 3.794 10.057 1.00 0.00 C ATOM 143 CG GLN A 9 106.049 3.397 10.753 1.00 0.00 C ATOM 144 CD GLN A 9 105.985 1.925 11.166 1.00 0.00 C ATOM 145 OE1 GLN A 9 106.365 1.053 10.411 1.00 0.00 O ATOM 146 NE2 GLN A 9 105.519 1.611 12.344 1.00 0.00 N ATOM 0 H GLN A 9 105.775 5.230 8.289 1.00 0.00 H new ATOM 0 HA GLN A 9 105.376 2.439 8.520 1.00 0.00 H new ATOM 0 HB2 GLN A 9 104.599 4.872 10.121 1.00 0.00 H new ATOM 0 HB3 GLN A 9 103.896 3.328 10.559 1.00 0.00 H new ATOM 0 HG2 GLN A 9 106.894 3.561 10.084 1.00 0.00 H new ATOM 0 HG3 GLN A 9 106.210 4.024 11.630 1.00 0.00 H new ATOM 0 HE21 GLN A 9 105.200 2.343 12.978 1.00 0.00 H new ATOM 0 HE22 GLN A 9 105.474 0.633 12.631 1.00 0.00 H new ATOM 155 N TRP A 10 102.592 4.136 7.937 1.00 0.00 N ATOM 156 CA TRP A 10 101.210 3.944 7.424 1.00 0.00 C ATOM 157 C TRP A 10 101.278 3.216 6.076 1.00 0.00 C ATOM 158 O TRP A 10 100.440 2.399 5.740 1.00 0.00 O ATOM 159 CB TRP A 10 100.542 5.323 7.267 1.00 0.00 C ATOM 160 CG TRP A 10 99.635 5.346 6.075 1.00 0.00 C ATOM 161 CD1 TRP A 10 99.633 6.310 5.126 1.00 0.00 C ATOM 162 CD2 TRP A 10 98.602 4.391 5.688 1.00 0.00 C ATOM 163 NE1 TRP A 10 98.668 6.009 4.182 1.00 0.00 N ATOM 164 CE2 TRP A 10 98.007 4.835 4.484 1.00 0.00 C ATOM 165 CE3 TRP A 10 98.129 3.195 6.257 1.00 0.00 C ATOM 166 CZ2 TRP A 10 96.982 4.118 3.868 1.00 0.00 C ATOM 167 CZ3 TRP A 10 97.100 2.471 5.639 1.00 0.00 C ATOM 168 CH2 TRP A 10 96.529 2.932 4.449 1.00 0.00 C ATOM 0 H TRP A 10 102.847 5.099 8.156 1.00 0.00 H new ATOM 0 HA TRP A 10 100.621 3.344 8.118 1.00 0.00 H new ATOM 0 HB2 TRP A 10 99.973 5.560 8.166 1.00 0.00 H new ATOM 0 HB3 TRP A 10 101.307 6.092 7.161 1.00 0.00 H new ATOM 0 HD1 TRP A 10 100.280 7.175 5.108 1.00 0.00 H new ATOM 0 HE1 TRP A 10 98.469 6.584 3.363 1.00 0.00 H new ATOM 0 HE3 TRP A 10 98.562 2.832 7.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 96.542 4.477 2.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 96.747 1.553 6.084 1.00 0.00 H new ATOM 0 HH2 TRP A 10 95.736 2.370 3.978 1.00 0.00 H new ATOM 179 N PHE A 11 102.274 3.511 5.302 1.00 0.00 N ATOM 180 CA PHE A 11 102.396 2.857 3.967 1.00 0.00 C ATOM 181 C PHE A 11 102.986 1.453 4.093 1.00 0.00 C ATOM 182 O PHE A 11 102.937 0.680 3.164 1.00 0.00 O ATOM 183 CB PHE A 11 103.264 3.715 3.040 1.00 0.00 C ATOM 184 CG PHE A 11 102.430 4.127 1.851 1.00 0.00 C ATOM 185 CD1 PHE A 11 101.576 5.227 1.954 1.00 0.00 C ATOM 186 CD2 PHE A 11 102.498 3.399 0.657 1.00 0.00 C ATOM 187 CE1 PHE A 11 100.786 5.604 0.867 1.00 0.00 C ATOM 188 CE2 PHE A 11 101.710 3.777 -0.433 1.00 0.00 C ATOM 189 CZ PHE A 11 100.852 4.879 -0.330 1.00 0.00 C ATOM 0 H PHE A 11 103.013 4.176 5.530 1.00 0.00 H new ATOM 0 HA PHE A 11 101.397 2.766 3.540 1.00 0.00 H new ATOM 0 HB2 PHE A 11 103.629 4.595 3.570 1.00 0.00 H new ATOM 0 HB3 PHE A 11 104.139 3.153 2.713 1.00 0.00 H new ATOM 0 HD1 PHE A 11 101.527 5.787 2.876 1.00 0.00 H new ATOM 0 HD2 PHE A 11 103.158 2.548 0.579 1.00 0.00 H new ATOM 0 HE1 PHE A 11 100.124 6.454 0.948 1.00 0.00 H new ATOM 0 HE2 PHE A 11 101.763 3.219 -1.356 1.00 0.00 H new ATOM 0 HZ PHE A 11 100.242 5.170 -1.172 1.00 0.00 H new ATOM 199 N LYS A 12 103.526 1.096 5.221 1.00 0.00 N ATOM 200 CA LYS A 12 104.074 -0.281 5.353 1.00 0.00 C ATOM 201 C LYS A 12 102.927 -1.187 5.794 1.00 0.00 C ATOM 202 O LYS A 12 102.906 -2.364 5.545 1.00 0.00 O ATOM 203 CB LYS A 12 105.242 -0.305 6.360 1.00 0.00 C ATOM 204 CG LYS A 12 104.731 -0.386 7.810 1.00 0.00 C ATOM 205 CD LYS A 12 104.631 -1.846 8.272 1.00 0.00 C ATOM 206 CE LYS A 12 104.712 -1.906 9.799 1.00 0.00 C ATOM 207 NZ LYS A 12 106.101 -1.590 10.236 1.00 0.00 N ATOM 0 H LYS A 12 103.612 1.687 6.048 1.00 0.00 H new ATOM 0 HA LYS A 12 104.477 -0.633 4.404 1.00 0.00 H new ATOM 0 HB2 LYS A 12 105.887 -1.159 6.152 1.00 0.00 H new ATOM 0 HB3 LYS A 12 105.850 0.591 6.236 1.00 0.00 H new ATOM 0 HG2 LYS A 12 105.404 0.163 8.469 1.00 0.00 H new ATOM 0 HG3 LYS A 12 103.754 0.091 7.883 1.00 0.00 H new ATOM 0 HD2 LYS A 12 103.693 -2.283 7.930 1.00 0.00 H new ATOM 0 HD3 LYS A 12 105.436 -2.434 7.831 1.00 0.00 H new ATOM 0 HE2 LYS A 12 104.011 -1.197 10.239 1.00 0.00 H new ATOM 0 HE3 LYS A 12 104.426 -2.897 10.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 106.368 -2.215 11.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 106.756 -1.734 9.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 106.149 -0.600 10.549 1.00 0.00 H new ATOM 221 N ILE A 13 101.934 -0.629 6.396 1.00 0.00 N ATOM 222 CA ILE A 13 100.764 -1.453 6.795 1.00 0.00 C ATOM 223 C ILE A 13 99.841 -1.502 5.588 1.00 0.00 C ATOM 224 O ILE A 13 98.992 -2.362 5.458 1.00 0.00 O ATOM 225 CB ILE A 13 100.046 -0.826 8.001 1.00 0.00 C ATOM 226 CG1 ILE A 13 100.063 0.703 7.879 1.00 0.00 C ATOM 227 CG2 ILE A 13 100.754 -1.256 9.293 1.00 0.00 C ATOM 228 CD1 ILE A 13 99.808 1.354 9.245 1.00 0.00 C ATOM 0 H ILE A 13 101.874 0.361 6.633 1.00 0.00 H new ATOM 0 HA ILE A 13 101.073 -2.455 7.094 1.00 0.00 H new ATOM 0 HB ILE A 13 99.011 -1.166 8.025 1.00 0.00 H new ATOM 0 HG12 ILE A 13 101.025 1.032 7.487 1.00 0.00 H new ATOM 0 HG13 ILE A 13 99.302 1.025 7.168 1.00 0.00 H new ATOM 0 HG21 ILE A 13 100.247 -0.813 10.150 1.00 0.00 H new ATOM 0 HG22 ILE A 13 100.728 -2.342 9.378 1.00 0.00 H new ATOM 0 HG23 ILE A 13 101.790 -0.918 9.270 1.00 0.00 H new ATOM 0 HD11 ILE A 13 99.824 2.439 9.140 1.00 0.00 H new ATOM 0 HD12 ILE A 13 98.835 1.040 9.622 1.00 0.00 H new ATOM 0 HD13 ILE A 13 100.585 1.046 9.945 1.00 0.00 H new ATOM 240 N GLN A 14 100.028 -0.571 4.694 1.00 0.00 N ATOM 241 CA GLN A 14 99.204 -0.516 3.463 1.00 0.00 C ATOM 242 C GLN A 14 100.002 -1.113 2.281 1.00 0.00 C ATOM 243 O GLN A 14 99.463 -1.333 1.214 1.00 0.00 O ATOM 244 CB GLN A 14 98.863 0.964 3.183 1.00 0.00 C ATOM 245 CG GLN A 14 99.337 1.371 1.792 1.00 0.00 C ATOM 246 CD GLN A 14 99.012 2.846 1.550 1.00 0.00 C ATOM 247 OE1 GLN A 14 98.466 3.199 0.524 1.00 0.00 O ATOM 248 NE2 GLN A 14 99.327 3.728 2.458 1.00 0.00 N ATOM 0 H GLN A 14 100.730 0.165 4.770 1.00 0.00 H new ATOM 0 HA GLN A 14 98.287 -1.092 3.587 1.00 0.00 H new ATOM 0 HB2 GLN A 14 97.787 1.117 3.265 1.00 0.00 H new ATOM 0 HB3 GLN A 14 99.333 1.599 3.934 1.00 0.00 H new ATOM 0 HG2 GLN A 14 100.410 1.205 1.700 1.00 0.00 H new ATOM 0 HG3 GLN A 14 98.852 0.753 1.036 1.00 0.00 H new ATOM 0 HE21 GLN A 14 99.785 3.432 3.320 1.00 0.00 H new ATOM 0 HE22 GLN A 14 99.115 4.714 2.306 1.00 0.00 H new ATOM 257 N HIS A 15 101.290 -1.328 2.437 1.00 0.00 N ATOM 258 CA HIS A 15 102.099 -1.842 1.285 1.00 0.00 C ATOM 259 C HIS A 15 103.308 -2.680 1.749 1.00 0.00 C ATOM 260 O HIS A 15 104.267 -2.830 1.017 1.00 0.00 O ATOM 261 CB HIS A 15 102.621 -0.624 0.506 1.00 0.00 C ATOM 262 CG HIS A 15 102.015 -0.583 -0.869 1.00 0.00 C ATOM 263 ND1 HIS A 15 102.721 -0.962 -2.002 1.00 0.00 N ATOM 264 CD2 HIS A 15 100.775 -0.197 -1.310 1.00 0.00 C ATOM 265 CE1 HIS A 15 101.906 -0.797 -3.060 1.00 0.00 C ATOM 266 NE2 HIS A 15 100.711 -0.333 -2.691 1.00 0.00 N ATOM 0 H HIS A 15 101.809 -1.172 3.301 1.00 0.00 H new ATOM 0 HA HIS A 15 101.465 -2.485 0.674 1.00 0.00 H new ATOM 0 HB2 HIS A 15 102.378 0.292 1.045 1.00 0.00 H new ATOM 0 HB3 HIS A 15 103.707 -0.671 0.430 1.00 0.00 H new ATOM 0 HD2 HIS A 15 99.972 0.158 -0.681 1.00 0.00 H new ATOM 0 HE1 HIS A 15 102.185 -1.013 -4.081 1.00 0.00 H new ATOM 0 HE2 HIS A 15 99.917 -0.122 -3.296 1.00 0.00 H new ATOM 275 N MET A 16 103.290 -3.229 2.932 1.00 0.00 N ATOM 276 CA MET A 16 104.467 -4.047 3.383 1.00 0.00 C ATOM 277 C MET A 16 104.190 -5.537 3.175 1.00 0.00 C ATOM 278 O MET A 16 103.218 -6.076 3.662 1.00 0.00 O ATOM 279 CB MET A 16 104.769 -3.789 4.872 1.00 0.00 C ATOM 280 CG MET A 16 103.829 -4.609 5.769 1.00 0.00 C ATOM 281 SD MET A 16 104.493 -6.282 5.985 1.00 0.00 S ATOM 282 CE MET A 16 104.976 -6.124 7.723 1.00 0.00 C ATOM 0 H MET A 16 102.526 -3.153 3.603 1.00 0.00 H new ATOM 0 HA MET A 16 105.331 -3.752 2.787 1.00 0.00 H new ATOM 0 HB2 MET A 16 105.805 -4.050 5.088 1.00 0.00 H new ATOM 0 HB3 MET A 16 104.655 -2.728 5.092 1.00 0.00 H new ATOM 0 HG2 MET A 16 103.720 -4.123 6.738 1.00 0.00 H new ATOM 0 HG3 MET A 16 102.835 -4.657 5.323 1.00 0.00 H new ATOM 0 HE1 MET A 16 105.416 -7.061 8.065 1.00 0.00 H new ATOM 0 HE2 MET A 16 105.706 -5.321 7.826 1.00 0.00 H new ATOM 0 HE3 MET A 16 104.097 -5.895 8.326 1.00 0.00 H new ATOM 292 N GLN A 17 105.058 -6.212 2.470 1.00 0.00 N ATOM 293 CA GLN A 17 104.873 -7.672 2.253 1.00 0.00 C ATOM 294 C GLN A 17 105.822 -8.481 3.174 1.00 0.00 C ATOM 295 O GLN A 17 105.656 -9.673 3.316 1.00 0.00 O ATOM 296 CB GLN A 17 105.140 -8.016 0.781 1.00 0.00 C ATOM 297 CG GLN A 17 104.320 -9.247 0.362 1.00 0.00 C ATOM 298 CD GLN A 17 104.288 -10.286 1.483 1.00 0.00 C ATOM 299 OE1 GLN A 17 103.409 -10.266 2.320 1.00 0.00 O ATOM 300 NE2 GLN A 17 105.214 -11.204 1.531 1.00 0.00 N ATOM 0 H GLN A 17 105.889 -5.812 2.035 1.00 0.00 H new ATOM 0 HA GLN A 17 103.845 -7.938 2.500 1.00 0.00 H new ATOM 0 HB2 GLN A 17 104.881 -7.166 0.149 1.00 0.00 H new ATOM 0 HB3 GLN A 17 106.202 -8.211 0.633 1.00 0.00 H new ATOM 0 HG2 GLN A 17 103.303 -8.944 0.112 1.00 0.00 H new ATOM 0 HG3 GLN A 17 104.751 -9.688 -0.537 1.00 0.00 H new ATOM 0 HE21 GLN A 17 105.953 -11.221 0.828 1.00 0.00 H new ATOM 0 HE22 GLN A 17 105.199 -11.905 2.272 1.00 0.00 H new ATOM 309 N PRO A 18 106.803 -7.863 3.819 1.00 0.00 N ATOM 310 CA PRO A 18 107.724 -8.597 4.740 1.00 0.00 C ATOM 311 C PRO A 18 106.960 -9.407 5.801 1.00 0.00 C ATOM 312 O PRO A 18 107.460 -9.643 6.880 1.00 0.00 O ATOM 313 CB PRO A 18 108.552 -7.496 5.415 1.00 0.00 C ATOM 314 CG PRO A 18 108.474 -6.316 4.505 1.00 0.00 C ATOM 315 CD PRO A 18 107.152 -6.433 3.744 1.00 0.00 C ATOM 0 HA PRO A 18 108.331 -9.320 4.195 1.00 0.00 H new ATOM 0 HB2 PRO A 18 108.155 -7.257 6.401 1.00 0.00 H new ATOM 0 HB3 PRO A 18 109.585 -7.814 5.556 1.00 0.00 H new ATOM 0 HG2 PRO A 18 108.512 -5.386 5.073 1.00 0.00 H new ATOM 0 HG3 PRO A 18 109.318 -6.303 3.815 1.00 0.00 H new ATOM 0 HD2 PRO A 18 106.378 -5.812 4.196 1.00 0.00 H new ATOM 0 HD3 PRO A 18 107.260 -6.105 2.710 1.00 0.00 H new ATOM 323 N SER A 19 105.753 -9.820 5.487 1.00 0.00 N ATOM 324 CA SER A 19 104.909 -10.620 6.439 1.00 0.00 C ATOM 325 C SER A 19 103.869 -9.714 7.108 1.00 0.00 C ATOM 326 O SER A 19 103.936 -9.447 8.291 1.00 0.00 O ATOM 327 CB SER A 19 105.769 -11.289 7.516 1.00 0.00 C ATOM 328 OG SER A 19 106.942 -11.826 6.919 1.00 0.00 O ATOM 0 H SER A 19 105.306 -9.632 4.590 1.00 0.00 H new ATOM 0 HA SER A 19 104.405 -11.398 5.866 1.00 0.00 H new ATOM 0 HB2 SER A 19 106.038 -10.564 8.284 1.00 0.00 H new ATOM 0 HB3 SER A 19 105.204 -12.080 8.009 1.00 0.00 H new ATOM 0 HG SER A 19 107.701 -11.233 7.098 1.00 0.00 H new ATOM 334 N PRO A 20 102.906 -9.255 6.349 1.00 0.00 N ATOM 335 CA PRO A 20 101.815 -8.378 6.856 1.00 0.00 C ATOM 336 C PRO A 20 100.662 -9.189 7.455 1.00 0.00 C ATOM 337 O PRO A 20 99.862 -8.674 8.206 1.00 0.00 O ATOM 338 CB PRO A 20 101.349 -7.651 5.597 1.00 0.00 C ATOM 339 CG PRO A 20 101.577 -8.625 4.484 1.00 0.00 C ATOM 340 CD PRO A 20 102.751 -9.522 4.910 1.00 0.00 C ATOM 0 HA PRO A 20 102.150 -7.716 7.654 1.00 0.00 H new ATOM 0 HB2 PRO A 20 100.298 -7.371 5.668 1.00 0.00 H new ATOM 0 HB3 PRO A 20 101.913 -6.732 5.440 1.00 0.00 H new ATOM 0 HG2 PRO A 20 100.682 -9.220 4.302 1.00 0.00 H new ATOM 0 HG3 PRO A 20 101.807 -8.103 3.555 1.00 0.00 H new ATOM 0 HD2 PRO A 20 102.537 -10.574 4.721 1.00 0.00 H new ATOM 0 HD3 PRO A 20 103.659 -9.277 4.359 1.00 0.00 H new ATOM 348 N GLN A 21 100.587 -10.451 7.101 1.00 0.00 N ATOM 349 CA GLN A 21 99.504 -11.365 7.599 1.00 0.00 C ATOM 350 C GLN A 21 98.477 -11.568 6.484 1.00 0.00 C ATOM 351 O GLN A 21 97.286 -11.470 6.697 1.00 0.00 O ATOM 352 CB GLN A 21 98.800 -10.797 8.842 1.00 0.00 C ATOM 353 CG GLN A 21 99.826 -10.541 9.962 1.00 0.00 C ATOM 354 CD GLN A 21 99.651 -11.580 11.073 1.00 0.00 C ATOM 355 OE1 GLN A 21 98.830 -11.413 11.953 1.00 0.00 O ATOM 356 NE2 GLN A 21 100.395 -12.653 11.070 1.00 0.00 N ATOM 0 H GLN A 21 101.251 -10.899 6.469 1.00 0.00 H new ATOM 0 HA GLN A 21 99.962 -12.313 7.882 1.00 0.00 H new ATOM 0 HB2 GLN A 21 98.289 -9.868 8.587 1.00 0.00 H new ATOM 0 HB3 GLN A 21 98.038 -11.495 9.189 1.00 0.00 H new ATOM 0 HG2 GLN A 21 100.838 -10.592 9.560 1.00 0.00 H new ATOM 0 HG3 GLN A 21 99.694 -9.537 10.366 1.00 0.00 H new ATOM 0 HE21 GLN A 21 101.084 -12.794 10.331 1.00 0.00 H new ATOM 0 HE22 GLN A 21 100.287 -13.351 11.806 1.00 0.00 H new ATOM 365 N ALA A 22 98.939 -11.849 5.293 1.00 0.00 N ATOM 366 CA ALA A 22 98.007 -12.060 4.148 1.00 0.00 C ATOM 367 C ALA A 22 97.486 -10.717 3.662 1.00 0.00 C ATOM 368 O ALA A 22 96.994 -9.921 4.437 1.00 0.00 O ATOM 369 CB ALA A 22 96.810 -12.911 4.584 1.00 0.00 C ATOM 0 H ALA A 22 99.929 -11.942 5.064 1.00 0.00 H new ATOM 0 HA ALA A 22 98.549 -12.570 3.352 1.00 0.00 H new ATOM 0 HB1 ALA A 22 96.139 -13.056 3.737 1.00 0.00 H new ATOM 0 HB2 ALA A 22 97.162 -13.880 4.938 1.00 0.00 H new ATOM 0 HB3 ALA A 22 96.276 -12.403 5.387 1.00 0.00 H new ATOM 375 N CYS A 23 97.552 -10.461 2.388 1.00 0.00 N ATOM 376 CA CYS A 23 97.015 -9.174 1.895 1.00 0.00 C ATOM 377 C CYS A 23 95.601 -9.040 2.414 1.00 0.00 C ATOM 378 O CYS A 23 95.112 -7.964 2.651 1.00 0.00 O ATOM 379 CB CYS A 23 96.971 -9.165 0.385 1.00 0.00 C ATOM 380 SG CYS A 23 98.636 -9.422 -0.267 1.00 0.00 S ATOM 0 H CYS A 23 97.948 -11.078 1.679 1.00 0.00 H new ATOM 0 HA CYS A 23 97.649 -8.356 2.236 1.00 0.00 H new ATOM 0 HB2 CYS A 23 96.303 -9.948 0.025 1.00 0.00 H new ATOM 0 HB3 CYS A 23 96.571 -8.216 0.028 1.00 0.00 H new ATOM 385 N ASN A 24 94.936 -10.137 2.592 1.00 0.00 N ATOM 386 CA ASN A 24 93.551 -10.062 3.111 1.00 0.00 C ATOM 387 C ASN A 24 93.555 -9.175 4.361 1.00 0.00 C ATOM 388 O ASN A 24 92.795 -8.238 4.467 1.00 0.00 O ATOM 389 CB ASN A 24 93.046 -11.470 3.467 1.00 0.00 C ATOM 390 CG ASN A 24 93.909 -12.524 2.769 1.00 0.00 C ATOM 391 OD1 ASN A 24 94.433 -12.288 1.699 1.00 0.00 O ATOM 392 ND2 ASN A 24 94.079 -13.688 3.335 1.00 0.00 N ATOM 0 H ASN A 24 95.287 -11.076 2.403 1.00 0.00 H new ATOM 0 HA ASN A 24 92.889 -9.641 2.354 1.00 0.00 H new ATOM 0 HB2 ASN A 24 93.080 -11.616 4.547 1.00 0.00 H new ATOM 0 HB3 ASN A 24 92.005 -11.580 3.163 1.00 0.00 H new ATOM 0 HD21 ASN A 24 94.651 -14.398 2.879 1.00 0.00 H new ATOM 0 HD22 ASN A 24 93.639 -13.887 4.234 1.00 0.00 H new ATOM 399 N SER A 25 94.419 -9.459 5.301 1.00 0.00 N ATOM 400 CA SER A 25 94.473 -8.633 6.548 1.00 0.00 C ATOM 401 C SER A 25 95.280 -7.352 6.304 1.00 0.00 C ATOM 402 O SER A 25 94.957 -6.287 6.802 1.00 0.00 O ATOM 403 CB SER A 25 95.137 -9.443 7.661 1.00 0.00 C ATOM 404 OG SER A 25 94.921 -8.794 8.907 1.00 0.00 O ATOM 0 H SER A 25 95.090 -10.226 5.261 1.00 0.00 H new ATOM 0 HA SER A 25 93.458 -8.362 6.838 1.00 0.00 H new ATOM 0 HB2 SER A 25 94.726 -10.452 7.687 1.00 0.00 H new ATOM 0 HB3 SER A 25 96.206 -9.539 7.468 1.00 0.00 H new ATOM 0 HG SER A 25 95.344 -9.312 9.623 1.00 0.00 H new ATOM 410 N ALA A 26 96.321 -7.442 5.534 1.00 0.00 N ATOM 411 CA ALA A 26 97.145 -6.236 5.247 1.00 0.00 C ATOM 412 C ALA A 26 96.245 -5.171 4.655 1.00 0.00 C ATOM 413 O ALA A 26 96.351 -3.996 4.943 1.00 0.00 O ATOM 414 CB ALA A 26 98.214 -6.611 4.232 1.00 0.00 C ATOM 0 H ALA A 26 96.641 -8.301 5.087 1.00 0.00 H new ATOM 0 HA ALA A 26 97.613 -5.864 6.158 1.00 0.00 H new ATOM 0 HB1 ALA A 26 98.827 -5.738 4.010 1.00 0.00 H new ATOM 0 HB2 ALA A 26 98.843 -7.402 4.641 1.00 0.00 H new ATOM 0 HB3 ALA A 26 97.739 -6.963 3.316 1.00 0.00 H new ATOM 420 N MET A 27 95.359 -5.600 3.823 1.00 0.00 N ATOM 421 CA MET A 27 94.417 -4.679 3.169 1.00 0.00 C ATOM 422 C MET A 27 93.328 -4.304 4.172 1.00 0.00 C ATOM 423 O MET A 27 92.768 -3.229 4.125 1.00 0.00 O ATOM 424 CB MET A 27 93.822 -5.411 1.971 1.00 0.00 C ATOM 425 CG MET A 27 92.678 -4.615 1.352 1.00 0.00 C ATOM 426 SD MET A 27 93.018 -2.845 1.392 1.00 0.00 S ATOM 427 CE MET A 27 91.480 -2.335 0.588 1.00 0.00 C ATOM 0 H MET A 27 95.246 -6.579 3.562 1.00 0.00 H new ATOM 0 HA MET A 27 94.908 -3.765 2.834 1.00 0.00 H new ATOM 0 HB2 MET A 27 94.597 -5.581 1.223 1.00 0.00 H new ATOM 0 HB3 MET A 27 93.460 -6.391 2.283 1.00 0.00 H new ATOM 0 HG2 MET A 27 92.525 -4.935 0.321 1.00 0.00 H new ATOM 0 HG3 MET A 27 91.754 -4.823 1.891 1.00 0.00 H new ATOM 0 HE1 MET A 27 91.322 -1.269 0.748 1.00 0.00 H new ATOM 0 HE2 MET A 27 91.545 -2.536 -0.481 1.00 0.00 H new ATOM 0 HE3 MET A 27 90.645 -2.893 1.012 1.00 0.00 H new ATOM 437 N LYS A 28 93.035 -5.186 5.090 1.00 0.00 N ATOM 438 CA LYS A 28 91.989 -4.878 6.108 1.00 0.00 C ATOM 439 C LYS A 28 92.372 -3.605 6.864 1.00 0.00 C ATOM 440 O LYS A 28 91.522 -2.860 7.307 1.00 0.00 O ATOM 441 CB LYS A 28 91.873 -6.031 7.112 1.00 0.00 C ATOM 442 CG LYS A 28 91.157 -7.223 6.470 1.00 0.00 C ATOM 443 CD LYS A 28 89.674 -6.899 6.225 1.00 0.00 C ATOM 444 CE LYS A 28 89.368 -6.978 4.724 1.00 0.00 C ATOM 445 NZ LYS A 28 87.892 -7.013 4.524 1.00 0.00 N ATOM 0 H LYS A 28 93.473 -6.103 5.179 1.00 0.00 H new ATOM 0 HA LYS A 28 91.035 -4.741 5.600 1.00 0.00 H new ATOM 0 HB2 LYS A 28 92.866 -6.332 7.448 1.00 0.00 H new ATOM 0 HB3 LYS A 28 91.325 -5.701 7.994 1.00 0.00 H new ATOM 0 HG2 LYS A 28 91.639 -7.478 5.526 1.00 0.00 H new ATOM 0 HG3 LYS A 28 91.241 -8.096 7.117 1.00 0.00 H new ATOM 0 HD2 LYS A 28 89.044 -7.600 6.772 1.00 0.00 H new ATOM 0 HD3 LYS A 28 89.443 -5.902 6.601 1.00 0.00 H new ATOM 0 HE2 LYS A 28 89.796 -6.119 4.208 1.00 0.00 H new ATOM 0 HE3 LYS A 28 89.826 -7.869 4.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 87.634 -7.867 3.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 87.417 -7.027 5.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 87.593 -6.170 3.994 1.00 0.00 H new ATOM 459 N ASN A 29 93.644 -3.347 7.022 1.00 0.00 N ATOM 460 CA ASN A 29 94.054 -2.114 7.760 1.00 0.00 C ATOM 461 C ASN A 29 93.668 -0.883 6.936 1.00 0.00 C ATOM 462 O ASN A 29 93.313 0.160 7.458 1.00 0.00 O ATOM 463 CB ASN A 29 95.569 -2.132 7.975 1.00 0.00 C ATOM 464 CG ASN A 29 95.986 -0.904 8.786 1.00 0.00 C ATOM 465 OD1 ASN A 29 95.846 0.214 8.332 1.00 0.00 O ATOM 466 ND2 ASN A 29 96.494 -1.065 9.977 1.00 0.00 N ATOM 0 H ASN A 29 94.408 -3.928 6.677 1.00 0.00 H new ATOM 0 HA ASN A 29 93.552 -2.079 8.727 1.00 0.00 H new ATOM 0 HB2 ASN A 29 95.862 -3.042 8.498 1.00 0.00 H new ATOM 0 HB3 ASN A 29 96.083 -2.137 7.014 1.00 0.00 H new ATOM 0 HD21 ASN A 29 96.773 -0.252 10.526 1.00 0.00 H new ATOM 0 HD22 ASN A 29 96.612 -2.004 10.359 1.00 0.00 H new ATOM 473 N ILE A 30 93.733 -1.006 5.648 1.00 0.00 N ATOM 474 CA ILE A 30 93.381 0.132 4.759 1.00 0.00 C ATOM 475 C ILE A 30 91.861 0.290 4.721 1.00 0.00 C ATOM 476 O ILE A 30 91.337 1.373 4.566 1.00 0.00 O ATOM 477 CB ILE A 30 93.911 -0.177 3.357 1.00 0.00 C ATOM 478 CG1 ILE A 30 95.279 -0.861 3.496 1.00 0.00 C ATOM 479 CG2 ILE A 30 94.038 1.112 2.523 1.00 0.00 C ATOM 480 CD1 ILE A 30 95.933 -1.002 2.121 1.00 0.00 C ATOM 0 H ILE A 30 94.019 -1.857 5.163 1.00 0.00 H new ATOM 0 HA ILE A 30 93.822 1.059 5.127 1.00 0.00 H new ATOM 0 HB ILE A 30 93.214 -0.837 2.840 1.00 0.00 H new ATOM 0 HG12 ILE A 30 95.921 -0.278 4.156 1.00 0.00 H new ATOM 0 HG13 ILE A 30 95.159 -1.843 3.954 1.00 0.00 H new ATOM 0 HG21 ILE A 30 94.417 0.867 1.531 1.00 0.00 H new ATOM 0 HG22 ILE A 30 93.060 1.584 2.432 1.00 0.00 H new ATOM 0 HG23 ILE A 30 94.728 1.798 3.016 1.00 0.00 H new ATOM 0 HD11 ILE A 30 96.903 -1.488 2.228 1.00 0.00 H new ATOM 0 HD12 ILE A 30 95.295 -1.604 1.474 1.00 0.00 H new ATOM 0 HD13 ILE A 30 96.068 -0.015 1.680 1.00 0.00 H new ATOM 492 N ASN A 31 91.154 -0.792 4.873 1.00 0.00 N ATOM 493 CA ASN A 31 89.666 -0.740 4.858 1.00 0.00 C ATOM 494 C ASN A 31 89.177 -0.181 6.188 1.00 0.00 C ATOM 495 O ASN A 31 88.046 0.236 6.325 1.00 0.00 O ATOM 496 CB ASN A 31 89.135 -2.159 4.663 1.00 0.00 C ATOM 497 CG ASN A 31 89.973 -2.853 3.594 1.00 0.00 C ATOM 498 OD1 ASN A 31 90.940 -2.300 3.113 1.00 0.00 O ATOM 499 ND2 ASN A 31 89.643 -4.048 3.200 1.00 0.00 N ATOM 0 H ASN A 31 91.548 -1.723 5.009 1.00 0.00 H new ATOM 0 HA ASN A 31 89.312 -0.101 4.049 1.00 0.00 H new ATOM 0 HB2 ASN A 31 89.185 -2.713 5.600 1.00 0.00 H new ATOM 0 HB3 ASN A 31 88.087 -2.132 4.363 1.00 0.00 H new ATOM 0 HD21 ASN A 31 90.197 -4.521 2.486 1.00 0.00 H new ATOM 0 HD22 ASN A 31 88.830 -4.512 3.605 1.00 0.00 H new ATOM 506 N LYS A 32 90.026 -0.159 7.173 1.00 0.00 N ATOM 507 CA LYS A 32 89.605 0.380 8.489 1.00 0.00 C ATOM 508 C LYS A 32 89.813 1.896 8.495 1.00 0.00 C ATOM 509 O LYS A 32 89.040 2.636 9.072 1.00 0.00 O ATOM 510 CB LYS A 32 90.417 -0.308 9.604 1.00 0.00 C ATOM 511 CG LYS A 32 91.729 0.443 9.892 1.00 0.00 C ATOM 512 CD LYS A 32 91.522 1.433 11.044 1.00 0.00 C ATOM 513 CE LYS A 32 92.628 2.491 11.018 1.00 0.00 C ATOM 514 NZ LYS A 32 93.905 1.864 10.572 1.00 0.00 N ATOM 0 H LYS A 32 90.990 -0.490 7.123 1.00 0.00 H new ATOM 0 HA LYS A 32 88.549 0.178 8.668 1.00 0.00 H new ATOM 0 HB2 LYS A 32 89.818 -0.358 10.513 1.00 0.00 H new ATOM 0 HB3 LYS A 32 90.640 -1.334 9.312 1.00 0.00 H new ATOM 0 HG2 LYS A 32 92.516 -0.267 10.148 1.00 0.00 H new ATOM 0 HG3 LYS A 32 92.057 0.975 8.999 1.00 0.00 H new ATOM 0 HD2 LYS A 32 90.546 1.910 10.955 1.00 0.00 H new ATOM 0 HD3 LYS A 32 91.533 0.905 11.997 1.00 0.00 H new ATOM 0 HE2 LYS A 32 92.354 3.302 10.344 1.00 0.00 H new ATOM 0 HE3 LYS A 32 92.752 2.928 12.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 94.702 2.483 10.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 94.022 0.943 11.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 93.883 1.728 9.541 1.00 0.00 H new ATOM 528 N HIS A 33 90.852 2.367 7.854 1.00 0.00 N ATOM 529 CA HIS A 33 91.102 3.837 7.826 1.00 0.00 C ATOM 530 C HIS A 33 90.374 4.474 6.628 1.00 0.00 C ATOM 531 O HIS A 33 90.050 5.645 6.648 1.00 0.00 O ATOM 532 CB HIS A 33 92.619 4.089 7.747 1.00 0.00 C ATOM 533 CG HIS A 33 92.978 4.779 6.459 1.00 0.00 C ATOM 534 ND1 HIS A 33 92.823 6.147 6.282 1.00 0.00 N ATOM 535 CD2 HIS A 33 93.493 4.303 5.282 1.00 0.00 C ATOM 536 CE1 HIS A 33 93.241 6.443 5.037 1.00 0.00 C ATOM 537 NE2 HIS A 33 93.659 5.354 4.389 1.00 0.00 N ATOM 0 H HIS A 33 91.534 1.799 7.351 1.00 0.00 H new ATOM 0 HA HIS A 33 90.715 4.295 8.736 1.00 0.00 H new ATOM 0 HB2 HIS A 33 92.936 4.699 8.593 1.00 0.00 H new ATOM 0 HB3 HIS A 33 93.154 3.142 7.819 1.00 0.00 H new ATOM 0 HD2 HIS A 33 93.733 3.270 5.080 1.00 0.00 H new ATOM 0 HE1 HIS A 33 93.238 7.437 4.615 1.00 0.00 H new ATOM 0 HE2 HIS A 33 94.024 5.304 3.438 1.00 0.00 H new ATOM 546 N THR A 34 90.112 3.721 5.587 1.00 0.00 N ATOM 547 CA THR A 34 89.403 4.304 4.402 1.00 0.00 C ATOM 548 C THR A 34 87.904 4.026 4.505 1.00 0.00 C ATOM 549 O THR A 34 87.118 4.536 3.732 1.00 0.00 O ATOM 550 CB THR A 34 89.920 3.668 3.108 1.00 0.00 C ATOM 551 OG1 THR A 34 89.740 2.261 3.169 1.00 0.00 O ATOM 552 CG2 THR A 34 91.401 3.987 2.920 1.00 0.00 C ATOM 0 H THR A 34 90.356 2.734 5.505 1.00 0.00 H new ATOM 0 HA THR A 34 89.589 5.378 4.388 1.00 0.00 H new ATOM 0 HB THR A 34 89.362 4.073 2.264 1.00 0.00 H new ATOM 0 HG1 THR A 34 90.551 1.843 3.526 1.00 0.00 H new ATOM 0 HG21 THR A 34 91.757 3.530 1.997 1.00 0.00 H new ATOM 0 HG22 THR A 34 91.536 5.067 2.866 1.00 0.00 H new ATOM 0 HG23 THR A 34 91.968 3.592 3.763 1.00 0.00 H new ATOM 560 N LYS A 35 87.500 3.209 5.435 1.00 0.00 N ATOM 561 CA LYS A 35 86.050 2.893 5.557 1.00 0.00 C ATOM 562 C LYS A 35 85.562 2.303 4.231 1.00 0.00 C ATOM 563 O LYS A 35 84.401 2.390 3.886 1.00 0.00 O ATOM 564 CB LYS A 35 85.266 4.171 5.873 1.00 0.00 C ATOM 565 CG LYS A 35 86.009 4.979 6.939 1.00 0.00 C ATOM 566 CD LYS A 35 86.285 4.093 8.156 1.00 0.00 C ATOM 567 CE LYS A 35 86.671 4.969 9.350 1.00 0.00 C ATOM 568 NZ LYS A 35 87.744 5.918 8.943 1.00 0.00 N ATOM 0 H LYS A 35 88.107 2.748 6.113 1.00 0.00 H new ATOM 0 HA LYS A 35 85.894 2.175 6.362 1.00 0.00 H new ATOM 0 HB2 LYS A 35 85.144 4.768 4.969 1.00 0.00 H new ATOM 0 HB3 LYS A 35 84.266 3.918 6.225 1.00 0.00 H new ATOM 0 HG2 LYS A 35 86.947 5.359 6.533 1.00 0.00 H new ATOM 0 HG3 LYS A 35 85.415 5.844 7.234 1.00 0.00 H new ATOM 0 HD2 LYS A 35 85.401 3.502 8.396 1.00 0.00 H new ATOM 0 HD3 LYS A 35 87.088 3.390 7.933 1.00 0.00 H new ATOM 0 HE2 LYS A 35 85.801 5.519 9.708 1.00 0.00 H new ATOM 0 HE3 LYS A 35 87.016 4.346 10.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 88.345 6.135 9.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 88.323 5.487 8.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 87.314 6.796 8.587 1.00 0.00 H new ATOM 582 N ARG A 36 86.453 1.707 3.482 1.00 0.00 N ATOM 583 CA ARG A 36 86.065 1.112 2.171 1.00 0.00 C ATOM 584 C ARG A 36 87.173 0.157 1.709 1.00 0.00 C ATOM 585 O ARG A 36 88.330 0.345 2.025 1.00 0.00 O ATOM 586 CB ARG A 36 85.883 2.236 1.147 1.00 0.00 C ATOM 587 CG ARG A 36 86.018 1.686 -0.278 1.00 0.00 C ATOM 588 CD ARG A 36 84.878 0.713 -0.589 1.00 0.00 C ATOM 589 NE ARG A 36 84.185 1.147 -1.835 1.00 0.00 N ATOM 590 CZ ARG A 36 83.221 0.421 -2.332 1.00 0.00 C ATOM 591 NH1 ARG A 36 82.863 -0.684 -1.737 1.00 0.00 N ATOM 592 NH2 ARG A 36 82.614 0.801 -3.423 1.00 0.00 N ATOM 0 H ARG A 36 87.439 1.607 3.725 1.00 0.00 H new ATOM 0 HA ARG A 36 85.130 0.560 2.269 1.00 0.00 H new ATOM 0 HB2 ARG A 36 84.904 2.698 1.274 1.00 0.00 H new ATOM 0 HB3 ARG A 36 86.627 3.014 1.315 1.00 0.00 H new ATOM 0 HG2 ARG A 36 86.007 2.508 -0.994 1.00 0.00 H new ATOM 0 HG3 ARG A 36 86.977 1.179 -0.389 1.00 0.00 H new ATOM 0 HD2 ARG A 36 85.270 -0.297 -0.710 1.00 0.00 H new ATOM 0 HD3 ARG A 36 84.173 0.684 0.242 1.00 0.00 H new ATOM 0 HE ARG A 36 84.464 2.011 -2.299 1.00 0.00 H new ATOM 0 HH11 ARG A 36 83.337 -0.980 -0.884 1.00 0.00 H new ATOM 0 HH12 ARG A 36 82.110 -1.251 -2.125 1.00 0.00 H new ATOM 0 HH21 ARG A 36 82.893 1.665 -3.887 1.00 0.00 H new ATOM 0 HH22 ARG A 36 81.861 0.234 -3.811 1.00 0.00 H new ATOM 606 N CYS A 37 86.839 -0.862 0.955 1.00 0.00 N ATOM 607 CA CYS A 37 87.887 -1.805 0.481 1.00 0.00 C ATOM 608 C CYS A 37 88.408 -1.338 -0.883 1.00 0.00 C ATOM 609 O CYS A 37 87.868 -1.670 -1.919 1.00 0.00 O ATOM 610 CB CYS A 37 87.288 -3.209 0.389 1.00 0.00 C ATOM 611 SG CYS A 37 86.921 -3.775 2.068 1.00 0.00 S ATOM 0 H CYS A 37 85.889 -1.077 0.651 1.00 0.00 H new ATOM 0 HA CYS A 37 88.724 -1.828 1.179 1.00 0.00 H new ATOM 0 HB2 CYS A 37 86.381 -3.197 -0.215 1.00 0.00 H new ATOM 0 HB3 CYS A 37 87.986 -3.890 -0.098 1.00 0.00 H new ATOM 616 N LYS A 38 89.446 -0.539 -0.859 1.00 0.00 N ATOM 617 CA LYS A 38 90.055 0.019 -2.113 1.00 0.00 C ATOM 618 C LYS A 38 89.866 -0.913 -3.319 1.00 0.00 C ATOM 619 O LYS A 38 89.929 -0.469 -4.447 1.00 0.00 O ATOM 620 CB LYS A 38 91.557 0.248 -1.890 1.00 0.00 C ATOM 621 CG LYS A 38 91.772 1.508 -1.042 1.00 0.00 C ATOM 622 CD LYS A 38 91.404 2.761 -1.854 1.00 0.00 C ATOM 623 CE LYS A 38 92.288 3.934 -1.422 1.00 0.00 C ATOM 624 NZ LYS A 38 93.646 3.777 -2.015 1.00 0.00 N ATOM 0 H LYS A 38 89.910 -0.241 -0.001 1.00 0.00 H new ATOM 0 HA LYS A 38 89.546 0.957 -2.334 1.00 0.00 H new ATOM 0 HB2 LYS A 38 91.995 -0.616 -1.391 1.00 0.00 H new ATOM 0 HB3 LYS A 38 92.064 0.353 -2.849 1.00 0.00 H new ATOM 0 HG2 LYS A 38 91.162 1.457 -0.140 1.00 0.00 H new ATOM 0 HG3 LYS A 38 92.812 1.566 -0.720 1.00 0.00 H new ATOM 0 HD2 LYS A 38 91.535 2.567 -2.919 1.00 0.00 H new ATOM 0 HD3 LYS A 38 90.354 3.009 -1.702 1.00 0.00 H new ATOM 0 HE2 LYS A 38 91.845 4.876 -1.746 1.00 0.00 H new ATOM 0 HE3 LYS A 38 92.356 3.971 -0.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 94.157 4.681 -1.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 94.171 3.048 -1.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 93.559 3.493 -3.012 1.00 0.00 H new ATOM 638 N ASP A 39 89.643 -2.188 -3.110 1.00 0.00 N ATOM 639 CA ASP A 39 89.456 -3.119 -4.266 1.00 0.00 C ATOM 640 C ASP A 39 90.817 -3.614 -4.765 1.00 0.00 C ATOM 641 O ASP A 39 90.930 -4.697 -5.300 1.00 0.00 O ATOM 642 CB ASP A 39 88.715 -2.415 -5.413 1.00 0.00 C ATOM 643 CG ASP A 39 87.910 -3.443 -6.213 1.00 0.00 C ATOM 644 OD1 ASP A 39 86.801 -3.746 -5.805 1.00 0.00 O ATOM 645 OD2 ASP A 39 88.417 -3.909 -7.220 1.00 0.00 O ATOM 0 H ASP A 39 89.583 -2.624 -2.190 1.00 0.00 H new ATOM 0 HA ASP A 39 88.861 -3.968 -3.930 1.00 0.00 H new ATOM 0 HB2 ASP A 39 88.050 -1.649 -5.014 1.00 0.00 H new ATOM 0 HB3 ASP A 39 89.428 -1.910 -6.064 1.00 0.00 H new ATOM 650 N LEU A 40 91.852 -2.835 -4.598 1.00 0.00 N ATOM 651 CA LEU A 40 93.198 -3.278 -5.072 1.00 0.00 C ATOM 652 C LEU A 40 94.276 -2.708 -4.143 1.00 0.00 C ATOM 653 O LEU A 40 94.192 -1.582 -3.693 1.00 0.00 O ATOM 654 CB LEU A 40 93.424 -2.772 -6.512 1.00 0.00 C ATOM 655 CG LEU A 40 93.755 -3.931 -7.469 1.00 0.00 C ATOM 656 CD1 LEU A 40 95.056 -4.631 -7.046 1.00 0.00 C ATOM 657 CD2 LEU A 40 92.598 -4.937 -7.484 1.00 0.00 C ATOM 0 H LEU A 40 91.826 -1.916 -4.157 1.00 0.00 H new ATOM 0 HA LEU A 40 93.254 -4.367 -5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 40 92.531 -2.253 -6.861 1.00 0.00 H new ATOM 0 HB3 LEU A 40 94.238 -2.047 -6.521 1.00 0.00 H new ATOM 0 HG LEU A 40 93.894 -3.526 -8.471 1.00 0.00 H new ATOM 0 HD11 LEU A 40 95.271 -5.447 -7.736 1.00 0.00 H new ATOM 0 HD12 LEU A 40 95.877 -3.914 -7.064 1.00 0.00 H new ATOM 0 HD13 LEU A 40 94.944 -5.029 -6.037 1.00 0.00 H new ATOM 0 HD21 LEU A 40 92.837 -5.756 -8.163 1.00 0.00 H new ATOM 0 HD22 LEU A 40 92.446 -5.331 -6.479 1.00 0.00 H new ATOM 0 HD23 LEU A 40 91.688 -4.440 -7.821 1.00 0.00 H new ATOM 669 N ASN A 41 95.289 -3.481 -3.853 1.00 0.00 N ATOM 670 CA ASN A 41 96.373 -2.993 -2.953 1.00 0.00 C ATOM 671 C ASN A 41 97.664 -3.756 -3.253 1.00 0.00 C ATOM 672 O ASN A 41 97.696 -4.970 -3.240 1.00 0.00 O ATOM 673 CB ASN A 41 95.964 -3.226 -1.501 1.00 0.00 C ATOM 674 CG ASN A 41 94.689 -2.439 -1.208 1.00 0.00 C ATOM 675 OD1 ASN A 41 93.608 -2.990 -1.224 1.00 0.00 O ATOM 676 ND2 ASN A 41 94.767 -1.163 -0.947 1.00 0.00 N ATOM 0 H ASN A 41 95.412 -4.432 -4.202 1.00 0.00 H new ATOM 0 HA ASN A 41 96.537 -1.928 -3.118 1.00 0.00 H new ATOM 0 HB2 ASN A 41 95.799 -4.289 -1.323 1.00 0.00 H new ATOM 0 HB3 ASN A 41 96.763 -2.910 -0.830 1.00 0.00 H new ATOM 0 HD21 ASN A 41 93.919 -0.629 -0.756 1.00 0.00 H new ATOM 0 HD22 ASN A 41 95.676 -0.700 -0.934 1.00 0.00 H new ATOM 683 N THR A 42 98.727 -3.050 -3.529 1.00 0.00 N ATOM 684 CA THR A 42 100.021 -3.725 -3.837 1.00 0.00 C ATOM 685 C THR A 42 100.951 -3.632 -2.626 1.00 0.00 C ATOM 686 O THR A 42 100.860 -2.727 -1.823 1.00 0.00 O ATOM 687 CB THR A 42 100.680 -3.040 -5.044 1.00 0.00 C ATOM 688 OG1 THR A 42 100.221 -1.699 -5.130 1.00 0.00 O ATOM 689 CG2 THR A 42 100.324 -3.782 -6.338 1.00 0.00 C ATOM 0 H THR A 42 98.755 -2.031 -3.555 1.00 0.00 H new ATOM 0 HA THR A 42 99.836 -4.774 -4.069 1.00 0.00 H new ATOM 0 HB THR A 42 101.762 -3.056 -4.913 1.00 0.00 H new ATOM 0 HG1 THR A 42 100.641 -1.258 -5.898 1.00 0.00 H new ATOM 0 HG21 THR A 42 100.798 -3.285 -7.185 1.00 0.00 H new ATOM 0 HG22 THR A 42 100.678 -4.811 -6.277 1.00 0.00 H new ATOM 0 HG23 THR A 42 99.243 -3.778 -6.474 1.00 0.00 H new ATOM 697 N PHE A 43 101.846 -4.570 -2.497 1.00 0.00 N ATOM 698 CA PHE A 43 102.800 -4.560 -1.354 1.00 0.00 C ATOM 699 C PHE A 43 104.184 -4.925 -1.896 1.00 0.00 C ATOM 700 O PHE A 43 104.295 -5.593 -2.896 1.00 0.00 O ATOM 701 CB PHE A 43 102.364 -5.603 -0.314 1.00 0.00 C ATOM 702 CG PHE A 43 101.020 -5.220 0.274 1.00 0.00 C ATOM 703 CD1 PHE A 43 99.864 -5.292 -0.512 1.00 0.00 C ATOM 704 CD2 PHE A 43 100.930 -4.796 1.607 1.00 0.00 C ATOM 705 CE1 PHE A 43 98.624 -4.939 0.031 1.00 0.00 C ATOM 706 CE2 PHE A 43 99.688 -4.443 2.149 1.00 0.00 C ATOM 707 CZ PHE A 43 98.536 -4.514 1.360 1.00 0.00 C ATOM 0 H PHE A 43 101.958 -5.352 -3.142 1.00 0.00 H new ATOM 0 HA PHE A 43 102.822 -3.578 -0.881 1.00 0.00 H new ATOM 0 HB2 PHE A 43 102.300 -6.587 -0.779 1.00 0.00 H new ATOM 0 HB3 PHE A 43 103.110 -5.673 0.478 1.00 0.00 H new ATOM 0 HD1 PHE A 43 99.929 -5.620 -1.539 1.00 0.00 H new ATOM 0 HD2 PHE A 43 101.820 -4.741 2.217 1.00 0.00 H new ATOM 0 HE1 PHE A 43 97.733 -4.995 -0.577 1.00 0.00 H new ATOM 0 HE2 PHE A 43 99.620 -4.116 3.176 1.00 0.00 H new ATOM 0 HZ PHE A 43 97.578 -4.241 1.777 1.00 0.00 H new ATOM 717 N LEU A 44 105.240 -4.499 -1.255 1.00 0.00 N ATOM 718 CA LEU A 44 106.607 -4.845 -1.752 1.00 0.00 C ATOM 719 C LEU A 44 107.264 -5.775 -0.727 1.00 0.00 C ATOM 720 O LEU A 44 106.928 -5.739 0.440 1.00 0.00 O ATOM 721 CB LEU A 44 107.427 -3.561 -1.941 1.00 0.00 C ATOM 722 CG LEU A 44 106.677 -2.614 -2.887 1.00 0.00 C ATOM 723 CD1 LEU A 44 107.508 -1.348 -3.129 1.00 0.00 C ATOM 724 CD2 LEU A 44 106.432 -3.320 -4.222 1.00 0.00 C ATOM 0 H LEU A 44 105.217 -3.928 -0.410 1.00 0.00 H new ATOM 0 HA LEU A 44 106.554 -5.351 -2.716 1.00 0.00 H new ATOM 0 HB2 LEU A 44 107.592 -3.076 -0.979 1.00 0.00 H new ATOM 0 HB3 LEU A 44 108.409 -3.800 -2.350 1.00 0.00 H new ATOM 0 HG LEU A 44 105.725 -2.337 -2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 44 106.968 -0.681 -3.802 1.00 0.00 H new ATOM 0 HD12 LEU A 44 107.684 -0.841 -2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 44 108.463 -1.620 -3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 44 105.899 -2.649 -4.896 1.00 0.00 H new ATOM 0 HD22 LEU A 44 107.387 -3.598 -4.667 1.00 0.00 H new ATOM 0 HD23 LEU A 44 105.835 -4.216 -4.055 1.00 0.00 H new ATOM 736 N HIS A 45 108.173 -6.632 -1.139 1.00 0.00 N ATOM 737 CA HIS A 45 108.796 -7.572 -0.146 1.00 0.00 C ATOM 738 C HIS A 45 110.247 -7.195 0.107 1.00 0.00 C ATOM 739 O HIS A 45 111.163 -7.908 -0.251 1.00 0.00 O ATOM 740 CB HIS A 45 108.729 -9.012 -0.664 1.00 0.00 C ATOM 741 CG HIS A 45 108.810 -9.974 0.490 1.00 0.00 C ATOM 742 ND1 HIS A 45 109.634 -9.751 1.585 1.00 0.00 N ATOM 743 CD2 HIS A 45 108.182 -11.171 0.730 1.00 0.00 C ATOM 744 CE1 HIS A 45 109.481 -10.791 2.425 1.00 0.00 C ATOM 745 NE2 HIS A 45 108.608 -11.681 1.950 1.00 0.00 N ATOM 0 H HIS A 45 108.505 -6.721 -2.099 1.00 0.00 H new ATOM 0 HA HIS A 45 108.239 -7.497 0.788 1.00 0.00 H new ATOM 0 HB2 HIS A 45 107.801 -9.167 -1.214 1.00 0.00 H new ATOM 0 HB3 HIS A 45 109.547 -9.196 -1.361 1.00 0.00 H new ATOM 0 HD2 HIS A 45 107.467 -11.643 0.072 1.00 0.00 H new ATOM 0 HE1 HIS A 45 110.000 -10.893 3.367 1.00 0.00 H new ATOM 0 HE2 HIS A 45 108.315 -12.553 2.390 1.00 0.00 H new ATOM 754 N GLU A 46 110.461 -6.084 0.738 1.00 0.00 N ATOM 755 CA GLU A 46 111.848 -5.657 1.038 1.00 0.00 C ATOM 756 C GLU A 46 111.816 -4.818 2.325 1.00 0.00 C ATOM 757 O GLU A 46 111.003 -3.929 2.456 1.00 0.00 O ATOM 758 CB GLU A 46 112.370 -4.834 -0.143 1.00 0.00 C ATOM 759 CG GLU A 46 113.837 -4.470 0.082 1.00 0.00 C ATOM 760 CD GLU A 46 114.718 -5.684 -0.218 1.00 0.00 C ATOM 761 OE1 GLU A 46 114.426 -6.381 -1.176 1.00 0.00 O ATOM 762 OE2 GLU A 46 115.670 -5.895 0.515 1.00 0.00 O ATOM 0 H GLU A 46 109.732 -5.449 1.061 1.00 0.00 H new ATOM 0 HA GLU A 46 112.509 -6.511 1.184 1.00 0.00 H new ATOM 0 HB2 GLU A 46 112.265 -5.402 -1.067 1.00 0.00 H new ATOM 0 HB3 GLU A 46 111.775 -3.928 -0.257 1.00 0.00 H new ATOM 0 HG2 GLU A 46 114.118 -3.636 -0.561 1.00 0.00 H new ATOM 0 HG3 GLU A 46 113.988 -4.144 1.111 1.00 0.00 H new ATOM 769 N PRO A 47 112.663 -5.103 3.286 1.00 0.00 N ATOM 770 CA PRO A 47 112.674 -4.343 4.568 1.00 0.00 C ATOM 771 C PRO A 47 112.722 -2.832 4.347 1.00 0.00 C ATOM 772 O PRO A 47 113.576 -2.321 3.650 1.00 0.00 O ATOM 773 CB PRO A 47 113.941 -4.808 5.282 1.00 0.00 C ATOM 774 CG PRO A 47 114.288 -6.133 4.680 1.00 0.00 C ATOM 775 CD PRO A 47 113.686 -6.164 3.269 1.00 0.00 C ATOM 0 HA PRO A 47 111.765 -4.529 5.140 1.00 0.00 H new ATOM 0 HB2 PRO A 47 114.752 -4.092 5.145 1.00 0.00 H new ATOM 0 HB3 PRO A 47 113.774 -4.898 6.355 1.00 0.00 H new ATOM 0 HG2 PRO A 47 115.369 -6.266 4.640 1.00 0.00 H new ATOM 0 HG3 PRO A 47 113.889 -6.947 5.286 1.00 0.00 H new ATOM 0 HD2 PRO A 47 114.444 -5.974 2.509 1.00 0.00 H new ATOM 0 HD3 PRO A 47 113.247 -7.136 3.045 1.00 0.00 H new ATOM 783 N PHE A 48 111.810 -2.119 4.944 1.00 0.00 N ATOM 784 CA PHE A 48 111.778 -0.636 4.794 1.00 0.00 C ATOM 785 C PHE A 48 113.193 -0.074 4.865 1.00 0.00 C ATOM 786 O PHE A 48 113.443 1.019 4.431 1.00 0.00 O ATOM 787 CB PHE A 48 110.910 -0.046 5.898 1.00 0.00 C ATOM 788 CG PHE A 48 109.823 -1.049 6.221 1.00 0.00 C ATOM 789 CD1 PHE A 48 109.182 -1.736 5.178 1.00 0.00 C ATOM 790 CD2 PHE A 48 109.467 -1.311 7.549 1.00 0.00 C ATOM 791 CE1 PHE A 48 108.192 -2.677 5.462 1.00 0.00 C ATOM 792 CE2 PHE A 48 108.473 -2.259 7.833 1.00 0.00 C ATOM 793 CZ PHE A 48 107.836 -2.941 6.788 1.00 0.00 C ATOM 0 H PHE A 48 111.075 -2.504 5.537 1.00 0.00 H new ATOM 0 HA PHE A 48 111.356 -0.371 3.825 1.00 0.00 H new ATOM 0 HB2 PHE A 48 111.510 0.165 6.783 1.00 0.00 H new ATOM 0 HB3 PHE A 48 110.473 0.899 5.576 1.00 0.00 H new ATOM 0 HD1 PHE A 48 109.456 -1.535 4.153 1.00 0.00 H new ATOM 0 HD2 PHE A 48 109.957 -0.784 8.354 1.00 0.00 H new ATOM 0 HE1 PHE A 48 107.700 -3.202 4.657 1.00 0.00 H new ATOM 0 HE2 PHE A 48 108.199 -2.463 8.857 1.00 0.00 H new ATOM 0 HZ PHE A 48 107.070 -3.670 7.007 1.00 0.00 H new ATOM 803 N SER A 49 114.120 -0.814 5.399 1.00 0.00 N ATOM 804 CA SER A 49 115.518 -0.313 5.469 1.00 0.00 C ATOM 805 C SER A 49 116.136 -0.399 4.071 1.00 0.00 C ATOM 806 O SER A 49 116.865 0.477 3.641 1.00 0.00 O ATOM 807 CB SER A 49 116.325 -1.174 6.442 1.00 0.00 C ATOM 808 OG SER A 49 115.670 -1.196 7.703 1.00 0.00 O ATOM 0 H SER A 49 113.971 -1.744 5.790 1.00 0.00 H new ATOM 0 HA SER A 49 115.528 0.719 5.819 1.00 0.00 H new ATOM 0 HB2 SER A 49 116.424 -2.187 6.053 1.00 0.00 H new ATOM 0 HB3 SER A 49 117.333 -0.774 6.550 1.00 0.00 H new ATOM 0 HG SER A 49 116.184 -1.748 8.329 1.00 0.00 H new ATOM 814 N SER A 50 115.828 -1.440 3.341 1.00 0.00 N ATOM 815 CA SER A 50 116.380 -1.564 1.966 1.00 0.00 C ATOM 816 C SER A 50 115.481 -0.760 1.033 1.00 0.00 C ATOM 817 O SER A 50 115.946 -0.004 0.204 1.00 0.00 O ATOM 818 CB SER A 50 116.414 -3.038 1.553 1.00 0.00 C ATOM 819 OG SER A 50 117.758 -3.500 1.584 1.00 0.00 O ATOM 0 H SER A 50 115.221 -2.204 3.639 1.00 0.00 H new ATOM 0 HA SER A 50 117.400 -1.182 1.919 1.00 0.00 H new ATOM 0 HB2 SER A 50 115.797 -3.632 2.228 1.00 0.00 H new ATOM 0 HB3 SER A 50 115.998 -3.158 0.552 1.00 0.00 H new ATOM 0 HG SER A 50 117.771 -4.474 1.479 1.00 0.00 H new ATOM 825 N VAL A 51 114.191 -0.886 1.192 1.00 0.00 N ATOM 826 CA VAL A 51 113.267 -0.090 0.344 1.00 0.00 C ATOM 827 C VAL A 51 113.564 1.373 0.645 1.00 0.00 C ATOM 828 O VAL A 51 113.503 2.233 -0.211 1.00 0.00 O ATOM 829 CB VAL A 51 111.809 -0.410 0.708 1.00 0.00 C ATOM 830 CG1 VAL A 51 110.935 -0.366 -0.549 1.00 0.00 C ATOM 831 CG2 VAL A 51 111.733 -1.808 1.327 1.00 0.00 C ATOM 0 H VAL A 51 113.742 -1.503 1.869 1.00 0.00 H new ATOM 0 HA VAL A 51 113.406 -0.318 -0.713 1.00 0.00 H new ATOM 0 HB VAL A 51 111.449 0.330 1.423 1.00 0.00 H new ATOM 0 HG11 VAL A 51 109.903 -0.594 -0.283 1.00 0.00 H new ATOM 0 HG12 VAL A 51 110.984 0.629 -0.992 1.00 0.00 H new ATOM 0 HG13 VAL A 51 111.295 -1.102 -1.268 1.00 0.00 H new ATOM 0 HG21 VAL A 51 110.699 -2.036 1.586 1.00 0.00 H new ATOM 0 HG22 VAL A 51 112.098 -2.544 0.610 1.00 0.00 H new ATOM 0 HG23 VAL A 51 112.348 -1.842 2.227 1.00 0.00 H new ATOM 841 N ALA A 52 113.917 1.642 1.873 1.00 0.00 N ATOM 842 CA ALA A 52 114.261 3.027 2.271 1.00 0.00 C ATOM 843 C ALA A 52 115.384 3.495 1.353 1.00 0.00 C ATOM 844 O ALA A 52 115.332 4.558 0.768 1.00 0.00 O ATOM 845 CB ALA A 52 114.749 3.039 3.725 1.00 0.00 C ATOM 0 H ALA A 52 113.981 0.951 2.621 1.00 0.00 H new ATOM 0 HA ALA A 52 113.393 3.681 2.190 1.00 0.00 H new ATOM 0 HB1 ALA A 52 115.002 4.059 4.016 1.00 0.00 H new ATOM 0 HB2 ALA A 52 113.961 2.661 4.376 1.00 0.00 H new ATOM 0 HB3 ALA A 52 115.632 2.406 3.818 1.00 0.00 H new ATOM 851 N ALA A 53 116.402 2.685 1.218 1.00 0.00 N ATOM 852 CA ALA A 53 117.538 3.053 0.331 1.00 0.00 C ATOM 853 C ALA A 53 117.068 3.054 -1.127 1.00 0.00 C ATOM 854 O ALA A 53 117.557 3.812 -1.940 1.00 0.00 O ATOM 855 CB ALA A 53 118.670 2.038 0.502 1.00 0.00 C ATOM 0 H ALA A 53 116.493 1.783 1.686 1.00 0.00 H new ATOM 0 HA ALA A 53 117.899 4.047 0.597 1.00 0.00 H new ATOM 0 HB1 ALA A 53 119.502 2.308 -0.148 1.00 0.00 H new ATOM 0 HB2 ALA A 53 119.005 2.038 1.539 1.00 0.00 H new ATOM 0 HB3 ALA A 53 118.310 1.044 0.237 1.00 0.00 H new ATOM 861 N THR A 54 116.120 2.218 -1.471 1.00 0.00 N ATOM 862 CA THR A 54 115.640 2.205 -2.882 1.00 0.00 C ATOM 863 C THR A 54 115.087 3.583 -3.218 1.00 0.00 C ATOM 864 O THR A 54 115.246 4.077 -4.314 1.00 0.00 O ATOM 865 CB THR A 54 114.535 1.153 -3.080 1.00 0.00 C ATOM 866 OG1 THR A 54 115.125 -0.135 -3.191 1.00 0.00 O ATOM 867 CG2 THR A 54 113.745 1.466 -4.358 1.00 0.00 C ATOM 0 H THR A 54 115.665 1.554 -0.844 1.00 0.00 H new ATOM 0 HA THR A 54 116.473 1.952 -3.537 1.00 0.00 H new ATOM 0 HB THR A 54 113.859 1.173 -2.225 1.00 0.00 H new ATOM 0 HG1 THR A 54 114.423 -0.807 -3.315 1.00 0.00 H new ATOM 0 HG21 THR A 54 112.963 0.719 -4.495 1.00 0.00 H new ATOM 0 HG22 THR A 54 113.292 2.454 -4.273 1.00 0.00 H new ATOM 0 HG23 THR A 54 114.418 1.448 -5.215 1.00 0.00 H new ATOM 875 N CYS A 55 114.438 4.217 -2.285 1.00 0.00 N ATOM 876 CA CYS A 55 113.887 5.560 -2.578 1.00 0.00 C ATOM 877 C CYS A 55 115.022 6.583 -2.526 1.00 0.00 C ATOM 878 O CYS A 55 114.808 7.755 -2.285 1.00 0.00 O ATOM 879 CB CYS A 55 112.808 5.900 -1.555 1.00 0.00 C ATOM 880 SG CYS A 55 111.630 7.045 -2.301 1.00 0.00 S ATOM 0 H CYS A 55 114.268 3.866 -1.343 1.00 0.00 H new ATOM 0 HA CYS A 55 113.439 5.576 -3.572 1.00 0.00 H new ATOM 0 HB2 CYS A 55 112.298 4.993 -1.231 1.00 0.00 H new ATOM 0 HB3 CYS A 55 113.257 6.347 -0.668 1.00 0.00 H new ATOM 885 N GLN A 56 116.232 6.139 -2.756 1.00 0.00 N ATOM 886 CA GLN A 56 117.401 7.065 -2.730 1.00 0.00 C ATOM 887 C GLN A 56 118.085 7.061 -4.101 1.00 0.00 C ATOM 888 O GLN A 56 118.841 7.955 -4.427 1.00 0.00 O ATOM 889 CB GLN A 56 118.395 6.598 -1.665 1.00 0.00 C ATOM 890 CG GLN A 56 119.399 7.717 -1.377 1.00 0.00 C ATOM 891 CD GLN A 56 120.426 7.231 -0.353 1.00 0.00 C ATOM 892 OE1 GLN A 56 120.117 6.420 0.497 1.00 0.00 O ATOM 893 NE2 GLN A 56 121.644 7.697 -0.397 1.00 0.00 N ATOM 0 H GLN A 56 116.460 5.166 -2.962 1.00 0.00 H new ATOM 0 HA GLN A 56 117.062 8.074 -2.495 1.00 0.00 H new ATOM 0 HB2 GLN A 56 117.865 6.327 -0.752 1.00 0.00 H new ATOM 0 HB3 GLN A 56 118.918 5.705 -2.007 1.00 0.00 H new ATOM 0 HG2 GLN A 56 119.901 8.015 -2.297 1.00 0.00 H new ATOM 0 HG3 GLN A 56 118.880 8.597 -0.997 1.00 0.00 H new ATOM 0 HE21 GLN A 56 121.904 8.378 -1.110 1.00 0.00 H new ATOM 0 HE22 GLN A 56 122.336 7.380 0.282 1.00 0.00 H new ATOM 902 N THR A 57 117.827 6.066 -4.912 1.00 0.00 N ATOM 903 CA THR A 57 118.470 6.027 -6.261 1.00 0.00 C ATOM 904 C THR A 57 117.909 7.172 -7.109 1.00 0.00 C ATOM 905 O THR A 57 116.848 7.691 -6.830 1.00 0.00 O ATOM 906 CB THR A 57 118.172 4.682 -6.948 1.00 0.00 C ATOM 907 OG1 THR A 57 117.885 4.903 -8.321 1.00 0.00 O ATOM 908 CG2 THR A 57 116.971 4.012 -6.286 1.00 0.00 C ATOM 0 H THR A 57 117.205 5.286 -4.701 1.00 0.00 H new ATOM 0 HA THR A 57 119.549 6.136 -6.155 1.00 0.00 H new ATOM 0 HB THR A 57 119.044 4.035 -6.853 1.00 0.00 H new ATOM 0 HG1 THR A 57 116.944 5.158 -8.422 1.00 0.00 H new ATOM 0 HG21 THR A 57 116.768 3.061 -6.779 1.00 0.00 H new ATOM 0 HG22 THR A 57 117.188 3.836 -5.232 1.00 0.00 H new ATOM 0 HG23 THR A 57 116.099 4.660 -6.374 1.00 0.00 H new ATOM 916 N PRO A 58 118.614 7.564 -8.140 1.00 0.00 N ATOM 917 CA PRO A 58 118.173 8.660 -9.041 1.00 0.00 C ATOM 918 C PRO A 58 116.651 8.675 -9.215 1.00 0.00 C ATOM 919 O PRO A 58 116.082 7.821 -9.866 1.00 0.00 O ATOM 920 CB PRO A 58 118.877 8.322 -10.353 1.00 0.00 C ATOM 921 CG PRO A 58 120.150 7.641 -9.949 1.00 0.00 C ATOM 922 CD PRO A 58 119.909 7.010 -8.566 1.00 0.00 C ATOM 0 HA PRO A 58 118.419 9.651 -8.659 1.00 0.00 H new ATOM 0 HB2 PRO A 58 118.262 7.671 -10.974 1.00 0.00 H new ATOM 0 HB3 PRO A 58 119.079 9.221 -10.935 1.00 0.00 H new ATOM 0 HG2 PRO A 58 120.426 6.878 -10.677 1.00 0.00 H new ATOM 0 HG3 PRO A 58 120.972 8.355 -9.908 1.00 0.00 H new ATOM 0 HD2 PRO A 58 119.877 5.922 -8.624 1.00 0.00 H new ATOM 0 HD3 PRO A 58 120.703 7.269 -7.866 1.00 0.00 H new ATOM 930 N LYS A 59 115.987 9.627 -8.619 1.00 0.00 N ATOM 931 CA LYS A 59 114.502 9.682 -8.730 1.00 0.00 C ATOM 932 C LYS A 59 114.074 10.051 -10.152 1.00 0.00 C ATOM 933 O LYS A 59 114.810 9.890 -11.104 1.00 0.00 O ATOM 934 CB LYS A 59 113.940 10.720 -7.746 1.00 0.00 C ATOM 935 CG LYS A 59 114.923 11.882 -7.562 1.00 0.00 C ATOM 936 CD LYS A 59 115.433 12.392 -8.922 1.00 0.00 C ATOM 937 CE LYS A 59 116.399 13.565 -8.708 1.00 0.00 C ATOM 938 NZ LYS A 59 117.801 13.083 -8.855 1.00 0.00 N ATOM 0 H LYS A 59 116.408 10.369 -8.060 1.00 0.00 H new ATOM 0 HA LYS A 59 114.108 8.695 -8.489 1.00 0.00 H new ATOM 0 HB2 LYS A 59 112.987 11.099 -8.115 1.00 0.00 H new ATOM 0 HB3 LYS A 59 113.744 10.247 -6.784 1.00 0.00 H new ATOM 0 HG2 LYS A 59 114.435 12.695 -7.024 1.00 0.00 H new ATOM 0 HG3 LYS A 59 115.766 11.557 -6.952 1.00 0.00 H new ATOM 0 HD2 LYS A 59 115.937 11.587 -9.457 1.00 0.00 H new ATOM 0 HD3 LYS A 59 114.593 12.709 -9.540 1.00 0.00 H new ATOM 0 HE2 LYS A 59 116.196 14.354 -9.432 1.00 0.00 H new ATOM 0 HE3 LYS A 59 116.252 13.995 -7.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 118.458 13.876 -8.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 117.990 12.344 -8.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 117.935 12.692 -9.809 1.00 0.00 H new ATOM 952 N ILE A 60 112.869 10.537 -10.289 1.00 0.00 N ATOM 953 CA ILE A 60 112.346 10.917 -11.627 1.00 0.00 C ATOM 954 C ILE A 60 111.321 12.042 -11.457 1.00 0.00 C ATOM 955 O ILE A 60 110.806 12.262 -10.379 1.00 0.00 O ATOM 956 CB ILE A 60 111.670 9.692 -12.263 1.00 0.00 C ATOM 957 CG1 ILE A 60 111.296 8.696 -11.155 1.00 0.00 C ATOM 958 CG2 ILE A 60 112.632 9.021 -13.248 1.00 0.00 C ATOM 959 CD1 ILE A 60 110.234 7.712 -11.656 1.00 0.00 C ATOM 0 H ILE A 60 112.219 10.688 -9.518 1.00 0.00 H new ATOM 0 HA ILE A 60 113.159 11.258 -12.268 1.00 0.00 H new ATOM 0 HB ILE A 60 110.774 10.007 -12.798 1.00 0.00 H new ATOM 0 HG12 ILE A 60 112.183 8.150 -10.833 1.00 0.00 H new ATOM 0 HG13 ILE A 60 110.920 9.235 -10.285 1.00 0.00 H new ATOM 0 HG21 ILE A 60 112.148 8.153 -13.696 1.00 0.00 H new ATOM 0 HG22 ILE A 60 112.904 9.729 -14.031 1.00 0.00 H new ATOM 0 HG23 ILE A 60 113.530 8.702 -12.719 1.00 0.00 H new ATOM 0 HD11 ILE A 60 109.980 7.013 -10.859 1.00 0.00 H new ATOM 0 HD12 ILE A 60 109.341 8.261 -11.955 1.00 0.00 H new ATOM 0 HD13 ILE A 60 110.624 7.160 -12.511 1.00 0.00 H new ATOM 971 N ALA A 61 111.015 12.755 -12.508 1.00 0.00 N ATOM 972 CA ALA A 61 110.018 13.856 -12.386 1.00 0.00 C ATOM 973 C ALA A 61 108.679 13.271 -11.941 1.00 0.00 C ATOM 974 O ALA A 61 107.776 13.088 -12.733 1.00 0.00 O ATOM 975 CB ALA A 61 109.841 14.555 -13.734 1.00 0.00 C ATOM 0 H ALA A 61 111.410 12.624 -13.439 1.00 0.00 H new ATOM 0 HA ALA A 61 110.371 14.581 -11.653 1.00 0.00 H new ATOM 0 HB1 ALA A 61 109.111 15.358 -13.634 1.00 0.00 H new ATOM 0 HB2 ALA A 61 110.796 14.971 -14.056 1.00 0.00 H new ATOM 0 HB3 ALA A 61 109.490 13.835 -14.474 1.00 0.00 H new ATOM 981 N CYS A 62 108.548 12.975 -10.678 1.00 0.00 N ATOM 982 CA CYS A 62 107.273 12.399 -10.168 1.00 0.00 C ATOM 983 C CYS A 62 106.090 13.135 -10.799 1.00 0.00 C ATOM 984 O CYS A 62 105.484 12.663 -11.741 1.00 0.00 O ATOM 985 CB CYS A 62 107.231 12.564 -8.650 1.00 0.00 C ATOM 986 SG CYS A 62 108.528 11.556 -7.908 1.00 0.00 S ATOM 0 H CYS A 62 109.273 13.108 -9.973 1.00 0.00 H new ATOM 0 HA CYS A 62 107.213 11.342 -10.427 1.00 0.00 H new ATOM 0 HB2 CYS A 62 107.370 13.611 -8.382 1.00 0.00 H new ATOM 0 HB3 CYS A 62 106.256 12.263 -8.266 1.00 0.00 H new ATOM 991 N LYS A 63 105.762 14.290 -10.295 1.00 0.00 N ATOM 992 CA LYS A 63 104.627 15.057 -10.874 1.00 0.00 C ATOM 993 C LYS A 63 105.045 15.610 -12.236 1.00 0.00 C ATOM 994 O LYS A 63 104.577 15.179 -13.271 1.00 0.00 O ATOM 995 CB LYS A 63 104.271 16.218 -9.943 1.00 0.00 C ATOM 996 CG LYS A 63 103.435 15.698 -8.771 1.00 0.00 C ATOM 997 CD LYS A 63 103.145 16.845 -7.801 1.00 0.00 C ATOM 998 CE LYS A 63 102.304 16.327 -6.633 1.00 0.00 C ATOM 999 NZ LYS A 63 103.085 15.312 -5.871 1.00 0.00 N ATOM 0 H LYS A 63 106.231 14.736 -9.507 1.00 0.00 H new ATOM 0 HA LYS A 63 103.761 14.405 -10.989 1.00 0.00 H new ATOM 0 HB2 LYS A 63 105.180 16.692 -9.572 1.00 0.00 H new ATOM 0 HB3 LYS A 63 103.715 16.979 -10.490 1.00 0.00 H new ATOM 0 HG2 LYS A 63 102.501 15.273 -9.138 1.00 0.00 H new ATOM 0 HG3 LYS A 63 103.969 14.899 -8.256 1.00 0.00 H new ATOM 0 HD2 LYS A 63 104.079 17.267 -7.431 1.00 0.00 H new ATOM 0 HD3 LYS A 63 102.616 17.646 -8.317 1.00 0.00 H new ATOM 0 HE2 LYS A 63 102.024 17.152 -5.979 1.00 0.00 H new ATOM 0 HE3 LYS A 63 101.379 15.886 -7.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 102.672 15.196 -4.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 103.057 14.402 -6.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 104.072 15.628 -5.783 1.00 0.00 H new ATOM 1013 N ASN A 64 105.935 16.557 -12.230 1.00 0.00 N ATOM 1014 CA ASN A 64 106.420 17.158 -13.502 1.00 0.00 C ATOM 1015 C ASN A 64 107.839 17.657 -13.264 1.00 0.00 C ATOM 1016 O ASN A 64 108.327 18.550 -13.927 1.00 0.00 O ATOM 1017 CB ASN A 64 105.519 18.330 -13.889 1.00 0.00 C ATOM 1018 CG ASN A 64 105.726 18.672 -15.366 1.00 0.00 C ATOM 1019 OD1 ASN A 64 104.853 19.230 -16.000 1.00 0.00 O ATOM 1020 ND2 ASN A 64 106.853 18.358 -15.944 1.00 0.00 N ATOM 0 H ASN A 64 106.354 16.947 -11.386 1.00 0.00 H new ATOM 0 HA ASN A 64 106.403 16.424 -14.307 1.00 0.00 H new ATOM 0 HB2 ASN A 64 104.475 18.074 -13.708 1.00 0.00 H new ATOM 0 HB3 ASN A 64 105.747 19.197 -13.269 1.00 0.00 H new ATOM 0 HD21 ASN A 64 107.001 18.581 -16.928 1.00 0.00 H new ATOM 0 HD22 ASN A 64 107.586 17.889 -15.412 1.00 0.00 H new ATOM 1027 N GLY A 65 108.492 17.081 -12.296 1.00 0.00 N ATOM 1028 CA GLY A 65 109.880 17.497 -11.959 1.00 0.00 C ATOM 1029 C GLY A 65 110.039 17.491 -10.438 1.00 0.00 C ATOM 1030 O GLY A 65 110.970 18.056 -9.900 1.00 0.00 O ATOM 0 H GLY A 65 108.118 16.330 -11.716 1.00 0.00 H new ATOM 0 HA2 GLY A 65 110.599 16.818 -12.417 1.00 0.00 H new ATOM 0 HA3 GLY A 65 110.083 18.492 -12.356 1.00 0.00 H new ATOM 1034 N ASP A 66 109.132 16.857 -9.739 1.00 0.00 N ATOM 1035 CA ASP A 66 109.231 16.817 -8.250 1.00 0.00 C ATOM 1036 C ASP A 66 110.505 16.076 -7.846 1.00 0.00 C ATOM 1037 O ASP A 66 111.211 16.484 -6.946 1.00 0.00 O ATOM 1038 CB ASP A 66 108.014 16.078 -7.677 1.00 0.00 C ATOM 1039 CG ASP A 66 107.189 17.027 -6.804 1.00 0.00 C ATOM 1040 OD1 ASP A 66 106.782 18.061 -7.308 1.00 0.00 O ATOM 1041 OD2 ASP A 66 106.979 16.704 -5.646 1.00 0.00 O ATOM 0 H ASP A 66 108.330 16.367 -10.134 1.00 0.00 H new ATOM 0 HA ASP A 66 109.259 17.835 -7.860 1.00 0.00 H new ATOM 0 HB2 ASP A 66 107.399 15.690 -8.489 1.00 0.00 H new ATOM 0 HB3 ASP A 66 108.342 15.222 -7.088 1.00 0.00 H new ATOM 1046 N LYS A 67 110.795 14.985 -8.497 1.00 0.00 N ATOM 1047 CA LYS A 67 112.016 14.210 -8.145 1.00 0.00 C ATOM 1048 C LYS A 67 111.813 13.555 -6.775 1.00 0.00 C ATOM 1049 O LYS A 67 112.669 13.621 -5.916 1.00 0.00 O ATOM 1050 CB LYS A 67 113.229 15.151 -8.093 1.00 0.00 C ATOM 1051 CG LYS A 67 113.077 16.272 -9.135 1.00 0.00 C ATOM 1052 CD LYS A 67 114.444 16.602 -9.743 1.00 0.00 C ATOM 1053 CE LYS A 67 114.371 17.949 -10.464 1.00 0.00 C ATOM 1054 NZ LYS A 67 113.340 17.882 -11.538 1.00 0.00 N ATOM 0 H LYS A 67 110.239 14.596 -9.258 1.00 0.00 H new ATOM 0 HA LYS A 67 112.194 13.442 -8.898 1.00 0.00 H new ATOM 0 HB2 LYS A 67 113.322 15.582 -7.096 1.00 0.00 H new ATOM 0 HB3 LYS A 67 114.143 14.589 -8.284 1.00 0.00 H new ATOM 0 HG2 LYS A 67 112.385 15.962 -9.918 1.00 0.00 H new ATOM 0 HG3 LYS A 67 112.652 17.160 -8.668 1.00 0.00 H new ATOM 0 HD2 LYS A 67 115.203 16.637 -8.961 1.00 0.00 H new ATOM 0 HD3 LYS A 67 114.742 15.820 -10.441 1.00 0.00 H new ATOM 0 HE2 LYS A 67 114.123 18.740 -9.756 1.00 0.00 H new ATOM 0 HE3 LYS A 67 115.342 18.198 -10.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 113.491 18.658 -12.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 113.415 16.971 -12.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 112.393 17.970 -11.116 1.00 0.00 H new ATOM 1068 N ASN A 68 110.675 12.943 -6.556 1.00 0.00 N ATOM 1069 CA ASN A 68 110.413 12.303 -5.227 1.00 0.00 C ATOM 1070 C ASN A 68 110.186 10.789 -5.368 1.00 0.00 C ATOM 1071 O ASN A 68 109.947 10.109 -4.382 1.00 0.00 O ATOM 1072 CB ASN A 68 109.167 12.938 -4.606 1.00 0.00 C ATOM 1073 CG ASN A 68 108.890 12.295 -3.245 1.00 0.00 C ATOM 1074 OD1 ASN A 68 107.755 12.208 -2.822 1.00 0.00 O ATOM 1075 ND2 ASN A 68 109.887 11.839 -2.538 1.00 0.00 N ATOM 0 H ASN A 68 109.919 12.858 -7.236 1.00 0.00 H new ATOM 0 HA ASN A 68 111.285 12.461 -4.592 1.00 0.00 H new ATOM 0 HB2 ASN A 68 109.313 14.012 -4.490 1.00 0.00 H new ATOM 0 HB3 ASN A 68 108.310 12.802 -5.265 1.00 0.00 H new ATOM 0 HD21 ASN A 68 109.713 11.409 -1.629 1.00 0.00 H new ATOM 0 HD22 ASN A 68 110.840 11.912 -2.894 1.00 0.00 H new ATOM 1082 N CYS A 69 110.255 10.249 -6.568 1.00 0.00 N ATOM 1083 CA CYS A 69 110.038 8.786 -6.753 1.00 0.00 C ATOM 1084 C CYS A 69 111.325 8.154 -7.270 1.00 0.00 C ATOM 1085 O CYS A 69 112.101 8.785 -7.953 1.00 0.00 O ATOM 1086 CB CYS A 69 108.911 8.566 -7.764 1.00 0.00 C ATOM 1087 SG CYS A 69 107.620 9.803 -7.495 1.00 0.00 S ATOM 0 H CYS A 69 110.453 10.766 -7.424 1.00 0.00 H new ATOM 0 HA CYS A 69 109.763 8.327 -5.803 1.00 0.00 H new ATOM 0 HB2 CYS A 69 109.298 8.642 -8.780 1.00 0.00 H new ATOM 0 HB3 CYS A 69 108.499 7.563 -7.654 1.00 0.00 H new ATOM 1092 N HIS A 70 111.553 6.910 -6.951 1.00 0.00 N ATOM 1093 CA HIS A 70 112.793 6.228 -7.426 1.00 0.00 C ATOM 1094 C HIS A 70 112.496 4.745 -7.571 1.00 0.00 C ATOM 1095 O HIS A 70 111.772 4.170 -6.781 1.00 0.00 O ATOM 1096 CB HIS A 70 113.954 6.406 -6.429 1.00 0.00 C ATOM 1097 CG HIS A 70 113.746 7.624 -5.574 1.00 0.00 C ATOM 1098 ND1 HIS A 70 114.759 8.547 -5.345 1.00 0.00 N ATOM 1099 CD2 HIS A 70 112.664 8.073 -4.866 1.00 0.00 C ATOM 1100 CE1 HIS A 70 114.265 9.495 -4.527 1.00 0.00 C ATOM 1101 NE2 HIS A 70 112.994 9.252 -4.209 1.00 0.00 N ATOM 0 H HIS A 70 110.934 6.334 -6.381 1.00 0.00 H new ATOM 0 HA HIS A 70 113.091 6.669 -8.377 1.00 0.00 H new ATOM 0 HB2 HIS A 70 114.034 5.522 -5.796 1.00 0.00 H new ATOM 0 HB3 HIS A 70 114.895 6.495 -6.972 1.00 0.00 H new ATOM 0 HD2 HIS A 70 111.701 7.585 -4.824 1.00 0.00 H new ATOM 0 HE1 HIS A 70 114.828 10.346 -4.173 1.00 0.00 H new ATOM 0 HE2 HIS A 70 112.390 9.814 -3.609 1.00 0.00 H new ATOM 1110 N GLN A 71 113.035 4.123 -8.576 1.00 0.00 N ATOM 1111 CA GLN A 71 112.764 2.675 -8.776 1.00 0.00 C ATOM 1112 C GLN A 71 113.914 1.830 -8.232 1.00 0.00 C ATOM 1113 O GLN A 71 115.068 2.206 -8.281 1.00 0.00 O ATOM 1114 CB GLN A 71 112.528 2.395 -10.272 1.00 0.00 C ATOM 1115 CG GLN A 71 113.677 1.579 -10.873 1.00 0.00 C ATOM 1116 CD GLN A 71 113.533 1.543 -12.395 1.00 0.00 C ATOM 1117 OE1 GLN A 71 113.367 0.489 -12.977 1.00 0.00 O ATOM 1118 NE2 GLN A 71 113.589 2.659 -13.070 1.00 0.00 N ATOM 0 H GLN A 71 113.650 4.552 -9.267 1.00 0.00 H new ATOM 0 HA GLN A 71 111.865 2.400 -8.224 1.00 0.00 H new ATOM 0 HB2 GLN A 71 111.590 1.855 -10.400 1.00 0.00 H new ATOM 0 HB3 GLN A 71 112.429 3.338 -10.810 1.00 0.00 H new ATOM 0 HG2 GLN A 71 114.634 2.021 -10.598 1.00 0.00 H new ATOM 0 HG3 GLN A 71 113.667 0.566 -10.472 1.00 0.00 H new ATOM 0 HE21 GLN A 71 113.728 3.544 -12.582 1.00 0.00 H new ATOM 0 HE22 GLN A 71 113.493 2.646 -14.085 1.00 0.00 H new ATOM 1127 N SER A 72 113.580 0.686 -7.710 1.00 0.00 N ATOM 1128 CA SER A 72 114.614 -0.234 -7.140 1.00 0.00 C ATOM 1129 C SER A 72 115.713 -0.508 -8.172 1.00 0.00 C ATOM 1130 O SER A 72 116.592 -1.317 -7.952 1.00 0.00 O ATOM 1131 CB SER A 72 113.954 -1.558 -6.751 1.00 0.00 C ATOM 1132 OG SER A 72 113.057 -1.952 -7.779 1.00 0.00 O ATOM 0 H SER A 72 112.622 0.340 -7.651 1.00 0.00 H new ATOM 0 HA SER A 72 115.058 0.237 -6.263 1.00 0.00 H new ATOM 0 HB2 SER A 72 114.713 -2.326 -6.600 1.00 0.00 H new ATOM 0 HB3 SER A 72 113.419 -1.448 -5.808 1.00 0.00 H new ATOM 0 HG SER A 72 113.501 -2.594 -8.372 1.00 0.00 H new ATOM 1138 N HIS A 73 115.672 0.153 -9.295 1.00 0.00 N ATOM 1139 CA HIS A 73 116.715 -0.077 -10.336 1.00 0.00 C ATOM 1140 C HIS A 73 116.927 -1.582 -10.514 1.00 0.00 C ATOM 1141 O HIS A 73 117.945 -2.023 -11.011 1.00 0.00 O ATOM 1142 CB HIS A 73 118.028 0.578 -9.895 1.00 0.00 C ATOM 1143 CG HIS A 73 118.060 2.011 -10.357 1.00 0.00 C ATOM 1144 ND1 HIS A 73 116.972 2.860 -10.210 1.00 0.00 N ATOM 1145 CD2 HIS A 73 119.038 2.756 -10.970 1.00 0.00 C ATOM 1146 CE1 HIS A 73 117.319 4.056 -10.724 1.00 0.00 C ATOM 1147 NE2 HIS A 73 118.566 4.043 -11.198 1.00 0.00 N ATOM 0 H HIS A 73 114.961 0.843 -9.538 1.00 0.00 H new ATOM 0 HA HIS A 73 116.393 0.360 -11.281 1.00 0.00 H new ATOM 0 HB2 HIS A 73 118.121 0.533 -8.810 1.00 0.00 H new ATOM 0 HB3 HIS A 73 118.875 0.033 -10.311 1.00 0.00 H new ATOM 0 HD1 HIS A 73 116.074 2.622 -9.790 1.00 0.00 H new ATOM 0 HD2 HIS A 73 120.022 2.397 -11.234 1.00 0.00 H new ATOM 0 HE1 HIS A 73 116.669 4.918 -10.749 1.00 0.00 H new ATOM 1156 N GLY A 74 115.973 -2.372 -10.109 1.00 0.00 N ATOM 1157 CA GLY A 74 116.113 -3.848 -10.250 1.00 0.00 C ATOM 1158 C GLY A 74 114.813 -4.524 -9.809 1.00 0.00 C ATOM 1159 O GLY A 74 114.004 -3.938 -9.118 1.00 0.00 O ATOM 0 H GLY A 74 115.100 -2.058 -9.685 1.00 0.00 H new ATOM 0 HA2 GLY A 74 116.338 -4.106 -11.285 1.00 0.00 H new ATOM 0 HA3 GLY A 74 116.946 -4.205 -9.644 1.00 0.00 H new ATOM 1163 N PRO A 75 114.614 -5.751 -10.207 1.00 0.00 N ATOM 1164 CA PRO A 75 113.388 -6.522 -9.852 1.00 0.00 C ATOM 1165 C PRO A 75 113.342 -6.889 -8.364 1.00 0.00 C ATOM 1166 O PRO A 75 114.194 -7.596 -7.865 1.00 0.00 O ATOM 1167 CB PRO A 75 113.486 -7.785 -10.717 1.00 0.00 C ATOM 1168 CG PRO A 75 114.942 -7.948 -11.010 1.00 0.00 C ATOM 1169 CD PRO A 75 115.537 -6.539 -11.040 1.00 0.00 C ATOM 0 HA PRO A 75 112.481 -5.944 -10.030 1.00 0.00 H new ATOM 0 HB2 PRO A 75 113.091 -8.654 -10.191 1.00 0.00 H new ATOM 0 HB3 PRO A 75 112.909 -7.679 -11.636 1.00 0.00 H new ATOM 0 HG2 PRO A 75 115.426 -8.558 -10.247 1.00 0.00 H new ATOM 0 HG3 PRO A 75 115.092 -8.453 -11.964 1.00 0.00 H new ATOM 0 HD2 PRO A 75 116.550 -6.524 -10.639 1.00 0.00 H new ATOM 0 HD3 PRO A 75 115.591 -6.149 -12.056 1.00 0.00 H new ATOM 1177 N VAL A 76 112.346 -6.421 -7.654 1.00 0.00 N ATOM 1178 CA VAL A 76 112.235 -6.748 -6.206 1.00 0.00 C ATOM 1179 C VAL A 76 111.082 -7.729 -6.030 1.00 0.00 C ATOM 1180 O VAL A 76 110.043 -7.596 -6.650 1.00 0.00 O ATOM 1181 CB VAL A 76 111.949 -5.466 -5.404 1.00 0.00 C ATOM 1182 CG1 VAL A 76 111.171 -4.481 -6.274 1.00 0.00 C ATOM 1183 CG2 VAL A 76 111.134 -5.804 -4.149 1.00 0.00 C ATOM 0 H VAL A 76 111.604 -5.824 -8.020 1.00 0.00 H new ATOM 0 HA VAL A 76 113.166 -7.187 -5.846 1.00 0.00 H new ATOM 0 HB VAL A 76 112.894 -5.014 -5.102 1.00 0.00 H new ATOM 0 HG11 VAL A 76 110.969 -3.574 -5.705 1.00 0.00 H new ATOM 0 HG12 VAL A 76 111.759 -4.232 -7.157 1.00 0.00 H new ATOM 0 HG13 VAL A 76 110.228 -4.933 -6.582 1.00 0.00 H new ATOM 0 HG21 VAL A 76 110.936 -4.891 -3.587 1.00 0.00 H new ATOM 0 HG22 VAL A 76 110.189 -6.262 -4.441 1.00 0.00 H new ATOM 0 HG23 VAL A 76 111.697 -6.499 -3.526 1.00 0.00 H new ATOM 1193 N SER A 77 111.243 -8.704 -5.185 1.00 0.00 N ATOM 1194 CA SER A 77 110.140 -9.670 -4.971 1.00 0.00 C ATOM 1195 C SER A 77 108.956 -8.909 -4.384 1.00 0.00 C ATOM 1196 O SER A 77 108.776 -8.856 -3.193 1.00 0.00 O ATOM 1197 CB SER A 77 110.588 -10.759 -3.997 1.00 0.00 C ATOM 1198 OG SER A 77 111.584 -11.562 -4.617 1.00 0.00 O ATOM 0 H SER A 77 112.086 -8.872 -4.637 1.00 0.00 H new ATOM 0 HA SER A 77 109.860 -10.141 -5.913 1.00 0.00 H new ATOM 0 HB2 SER A 77 110.982 -10.309 -3.086 1.00 0.00 H new ATOM 0 HB3 SER A 77 109.737 -11.375 -3.705 1.00 0.00 H new ATOM 0 HG SER A 77 111.321 -11.754 -5.541 1.00 0.00 H new ATOM 1204 N LEU A 78 108.151 -8.306 -5.207 1.00 0.00 N ATOM 1205 CA LEU A 78 106.993 -7.542 -4.680 1.00 0.00 C ATOM 1206 C LEU A 78 105.771 -8.452 -4.619 1.00 0.00 C ATOM 1207 O LEU A 78 105.834 -9.619 -4.951 1.00 0.00 O ATOM 1208 CB LEU A 78 106.703 -6.357 -5.592 1.00 0.00 C ATOM 1209 CG LEU A 78 106.284 -6.847 -6.981 1.00 0.00 C ATOM 1210 CD1 LEU A 78 104.806 -7.267 -6.985 1.00 0.00 C ATOM 1211 CD2 LEU A 78 106.482 -5.708 -7.975 1.00 0.00 C ATOM 0 H LEU A 78 108.245 -8.309 -6.223 1.00 0.00 H new ATOM 0 HA LEU A 78 107.225 -7.177 -3.679 1.00 0.00 H new ATOM 0 HB2 LEU A 78 105.912 -5.743 -5.161 1.00 0.00 H new ATOM 0 HB3 LEU A 78 107.588 -5.726 -5.673 1.00 0.00 H new ATOM 0 HG LEU A 78 106.891 -7.710 -7.255 1.00 0.00 H new ATOM 0 HD11 LEU A 78 104.528 -7.612 -7.981 1.00 0.00 H new ATOM 0 HD12 LEU A 78 104.655 -8.073 -6.267 1.00 0.00 H new ATOM 0 HD13 LEU A 78 104.185 -6.415 -6.710 1.00 0.00 H new ATOM 0 HD21 LEU A 78 106.188 -6.039 -8.971 1.00 0.00 H new ATOM 0 HD22 LEU A 78 105.868 -4.857 -7.680 1.00 0.00 H new ATOM 0 HD23 LEU A 78 107.531 -5.413 -7.986 1.00 0.00 H new ATOM 1223 N THR A 79 104.664 -7.929 -4.183 1.00 0.00 N ATOM 1224 CA THR A 79 103.433 -8.754 -4.079 1.00 0.00 C ATOM 1225 C THR A 79 102.214 -7.915 -4.457 1.00 0.00 C ATOM 1226 O THR A 79 101.797 -7.044 -3.724 1.00 0.00 O ATOM 1227 CB THR A 79 103.300 -9.232 -2.638 1.00 0.00 C ATOM 1228 OG1 THR A 79 104.041 -10.433 -2.473 1.00 0.00 O ATOM 1229 CG2 THR A 79 101.834 -9.485 -2.288 1.00 0.00 C ATOM 0 H THR A 79 104.558 -6.957 -3.892 1.00 0.00 H new ATOM 0 HA THR A 79 103.494 -9.606 -4.756 1.00 0.00 H new ATOM 0 HB THR A 79 103.688 -8.460 -1.973 1.00 0.00 H new ATOM 0 HG1 THR A 79 104.740 -10.483 -3.158 1.00 0.00 H new ATOM 0 HG21 THR A 79 101.760 -9.826 -1.255 1.00 0.00 H new ATOM 0 HG22 THR A 79 101.267 -8.562 -2.407 1.00 0.00 H new ATOM 0 HG23 THR A 79 101.428 -10.248 -2.952 1.00 0.00 H new ATOM 1237 N MET A 80 101.632 -8.179 -5.589 1.00 0.00 N ATOM 1238 CA MET A 80 100.429 -7.400 -5.995 1.00 0.00 C ATOM 1239 C MET A 80 99.170 -8.093 -5.470 1.00 0.00 C ATOM 1240 O MET A 80 98.777 -9.136 -5.956 1.00 0.00 O ATOM 1241 CB MET A 80 100.357 -7.311 -7.521 1.00 0.00 C ATOM 1242 CG MET A 80 101.750 -7.040 -8.088 1.00 0.00 C ATOM 1243 SD MET A 80 101.598 -6.375 -9.766 1.00 0.00 S ATOM 1244 CE MET A 80 102.770 -7.495 -10.572 1.00 0.00 C ATOM 0 H MET A 80 101.933 -8.896 -6.249 1.00 0.00 H new ATOM 0 HA MET A 80 100.497 -6.395 -5.577 1.00 0.00 H new ATOM 0 HB2 MET A 80 99.962 -8.240 -7.931 1.00 0.00 H new ATOM 0 HB3 MET A 80 99.673 -6.516 -7.817 1.00 0.00 H new ATOM 0 HG2 MET A 80 102.282 -6.333 -7.452 1.00 0.00 H new ATOM 0 HG3 MET A 80 102.335 -7.960 -8.101 1.00 0.00 H new ATOM 0 HE1 MET A 80 102.778 -7.303 -11.645 1.00 0.00 H new ATOM 0 HE2 MET A 80 103.768 -7.330 -10.167 1.00 0.00 H new ATOM 0 HE3 MET A 80 102.470 -8.527 -10.391 1.00 0.00 H new ATOM 1254 N CYS A 81 98.530 -7.523 -4.483 1.00 0.00 N ATOM 1255 CA CYS A 81 97.293 -8.150 -3.942 1.00 0.00 C ATOM 1256 C CYS A 81 96.081 -7.533 -4.634 1.00 0.00 C ATOM 1257 O CYS A 81 96.091 -6.371 -4.983 1.00 0.00 O ATOM 1258 CB CYS A 81 97.199 -7.886 -2.441 1.00 0.00 C ATOM 1259 SG CYS A 81 98.841 -8.017 -1.700 1.00 0.00 S ATOM 0 H CYS A 81 98.811 -6.653 -4.031 1.00 0.00 H new ATOM 0 HA CYS A 81 97.320 -9.225 -4.121 1.00 0.00 H new ATOM 0 HB2 CYS A 81 96.786 -6.894 -2.261 1.00 0.00 H new ATOM 0 HB3 CYS A 81 96.521 -8.603 -1.977 1.00 0.00 H new ATOM 1264 N LYS A 82 95.036 -8.292 -4.838 1.00 0.00 N ATOM 1265 CA LYS A 82 93.838 -7.734 -5.505 1.00 0.00 C ATOM 1266 C LYS A 82 92.594 -8.120 -4.702 1.00 0.00 C ATOM 1267 O LYS A 82 92.585 -9.109 -3.996 1.00 0.00 O ATOM 1268 CB LYS A 82 93.747 -8.289 -6.933 1.00 0.00 C ATOM 1269 CG LYS A 82 92.778 -9.469 -6.966 1.00 0.00 C ATOM 1270 CD LYS A 82 92.924 -10.218 -8.291 1.00 0.00 C ATOM 1271 CE LYS A 82 91.895 -11.348 -8.355 1.00 0.00 C ATOM 1272 NZ LYS A 82 92.187 -12.220 -9.528 1.00 0.00 N ATOM 0 H LYS A 82 94.967 -9.273 -4.569 1.00 0.00 H new ATOM 0 HA LYS A 82 93.907 -6.647 -5.554 1.00 0.00 H new ATOM 0 HB2 LYS A 82 93.409 -7.509 -7.616 1.00 0.00 H new ATOM 0 HB3 LYS A 82 94.733 -8.606 -7.274 1.00 0.00 H new ATOM 0 HG2 LYS A 82 92.980 -10.142 -6.133 1.00 0.00 H new ATOM 0 HG3 LYS A 82 91.754 -9.115 -6.848 1.00 0.00 H new ATOM 0 HD2 LYS A 82 92.779 -9.533 -9.126 1.00 0.00 H new ATOM 0 HD3 LYS A 82 93.932 -10.624 -8.382 1.00 0.00 H new ATOM 0 HE2 LYS A 82 91.925 -11.934 -7.436 1.00 0.00 H new ATOM 0 HE3 LYS A 82 90.890 -10.935 -8.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 91.488 -12.988 -9.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 92.137 -11.656 -10.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 93.140 -12.625 -9.431 1.00 0.00 H new ATOM 1286 N LEU A 83 91.544 -7.353 -4.799 1.00 0.00 N ATOM 1287 CA LEU A 83 90.317 -7.698 -4.031 1.00 0.00 C ATOM 1288 C LEU A 83 89.621 -8.865 -4.708 1.00 0.00 C ATOM 1289 O LEU A 83 89.045 -8.737 -5.770 1.00 0.00 O ATOM 1290 CB LEU A 83 89.360 -6.501 -3.964 1.00 0.00 C ATOM 1291 CG LEU A 83 88.029 -6.912 -3.302 1.00 0.00 C ATOM 1292 CD1 LEU A 83 88.288 -7.822 -2.102 1.00 0.00 C ATOM 1293 CD2 LEU A 83 87.285 -5.665 -2.808 1.00 0.00 C ATOM 0 H LEU A 83 91.483 -6.511 -5.371 1.00 0.00 H new ATOM 0 HA LEU A 83 90.602 -7.968 -3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 83 89.820 -5.691 -3.398 1.00 0.00 H new ATOM 0 HB3 LEU A 83 89.172 -6.121 -4.968 1.00 0.00 H new ATOM 0 HG LEU A 83 87.430 -7.441 -4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 83 87.338 -8.103 -1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 83 88.811 -8.719 -2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 83 88.899 -7.294 -1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 83 86.346 -5.963 -2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 83 87.901 -5.138 -2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 83 87.078 -5.007 -3.652 1.00 0.00 H new ATOM 1305 N THR A 84 89.663 -10.000 -4.088 1.00 0.00 N ATOM 1306 CA THR A 84 88.997 -11.186 -4.672 1.00 0.00 C ATOM 1307 C THR A 84 87.487 -10.958 -4.633 1.00 0.00 C ATOM 1308 O THR A 84 86.806 -11.143 -5.622 1.00 0.00 O ATOM 1309 CB THR A 84 89.374 -12.434 -3.870 1.00 0.00 C ATOM 1310 OG1 THR A 84 88.710 -12.407 -2.616 1.00 0.00 O ATOM 1311 CG2 THR A 84 90.894 -12.464 -3.647 1.00 0.00 C ATOM 0 H THR A 84 90.132 -10.160 -3.197 1.00 0.00 H new ATOM 0 HA THR A 84 89.316 -11.334 -5.704 1.00 0.00 H new ATOM 0 HB THR A 84 89.073 -13.325 -4.422 1.00 0.00 H new ATOM 0 HG1 THR A 84 89.255 -11.914 -1.968 1.00 0.00 H new ATOM 0 HG21 THR A 84 91.160 -13.353 -3.076 1.00 0.00 H new ATOM 0 HG22 THR A 84 91.403 -12.486 -4.611 1.00 0.00 H new ATOM 0 HG23 THR A 84 91.199 -11.574 -3.096 1.00 0.00 H new ATOM 1319 N SER A 85 86.957 -10.530 -3.509 1.00 0.00 N ATOM 1320 CA SER A 85 85.478 -10.266 -3.438 1.00 0.00 C ATOM 1321 C SER A 85 84.994 -10.288 -1.985 1.00 0.00 C ATOM 1322 O SER A 85 85.651 -10.806 -1.109 1.00 0.00 O ATOM 1323 CB SER A 85 84.715 -11.335 -4.231 1.00 0.00 C ATOM 1324 OG SER A 85 84.529 -10.886 -5.567 1.00 0.00 O ATOM 0 H SER A 85 87.475 -10.354 -2.648 1.00 0.00 H new ATOM 0 HA SER A 85 85.289 -9.281 -3.865 1.00 0.00 H new ATOM 0 HB2 SER A 85 85.269 -12.274 -4.225 1.00 0.00 H new ATOM 0 HB3 SER A 85 83.750 -11.531 -3.764 1.00 0.00 H new ATOM 0 HG SER A 85 85.402 -10.767 -5.997 1.00 0.00 H new ATOM 1330 N GLY A 86 83.834 -9.736 -1.729 1.00 0.00 N ATOM 1331 CA GLY A 86 83.297 -9.738 -0.337 1.00 0.00 C ATOM 1332 C GLY A 86 82.468 -8.473 -0.077 1.00 0.00 C ATOM 1333 O GLY A 86 81.388 -8.547 0.465 1.00 0.00 O ATOM 0 H GLY A 86 83.238 -9.285 -2.423 1.00 0.00 H new ATOM 0 HA2 GLY A 86 82.680 -10.623 -0.181 1.00 0.00 H new ATOM 0 HA3 GLY A 86 84.120 -9.793 0.376 1.00 0.00 H new ATOM 1337 N LYS A 87 82.994 -7.329 -0.455 1.00 0.00 N ATOM 1338 CA LYS A 87 82.309 -5.999 -0.256 1.00 0.00 C ATOM 1339 C LYS A 87 83.289 -5.078 0.471 1.00 0.00 C ATOM 1340 O LYS A 87 84.480 -5.263 0.379 1.00 0.00 O ATOM 1341 CB LYS A 87 81.015 -6.125 0.561 1.00 0.00 C ATOM 1342 CG LYS A 87 79.900 -6.670 -0.334 1.00 0.00 C ATOM 1343 CD LYS A 87 78.799 -7.293 0.529 1.00 0.00 C ATOM 1344 CE LYS A 87 77.733 -7.916 -0.374 1.00 0.00 C ATOM 1345 NZ LYS A 87 77.271 -6.905 -1.367 1.00 0.00 N ATOM 0 H LYS A 87 83.904 -7.257 -0.911 1.00 0.00 H new ATOM 0 HA LYS A 87 82.029 -5.598 -1.230 1.00 0.00 H new ATOM 0 HB2 LYS A 87 81.172 -6.789 1.411 1.00 0.00 H new ATOM 0 HB3 LYS A 87 80.730 -5.153 0.964 1.00 0.00 H new ATOM 0 HG2 LYS A 87 79.486 -5.867 -0.944 1.00 0.00 H new ATOM 0 HG3 LYS A 87 80.303 -7.416 -1.019 1.00 0.00 H new ATOM 0 HD2 LYS A 87 79.223 -8.052 1.186 1.00 0.00 H new ATOM 0 HD3 LYS A 87 78.350 -6.533 1.169 1.00 0.00 H new ATOM 0 HE2 LYS A 87 78.140 -8.787 -0.888 1.00 0.00 H new ATOM 0 HE3 LYS A 87 76.892 -8.264 0.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 76.344 -7.188 -1.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 77.187 -5.977 -0.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 77.958 -6.843 -2.145 1.00 0.00 H new ATOM 1359 N TYR A 88 82.829 -4.093 1.200 1.00 0.00 N ATOM 1360 CA TYR A 88 83.804 -3.213 1.910 1.00 0.00 C ATOM 1361 C TYR A 88 84.087 -3.783 3.310 1.00 0.00 C ATOM 1362 O TYR A 88 85.214 -3.812 3.756 1.00 0.00 O ATOM 1363 CB TYR A 88 83.277 -1.772 2.022 1.00 0.00 C ATOM 1364 CG TYR A 88 83.712 -1.184 3.349 1.00 0.00 C ATOM 1365 CD1 TYR A 88 85.059 -1.248 3.744 1.00 0.00 C ATOM 1366 CD2 TYR A 88 82.765 -0.615 4.199 1.00 0.00 C ATOM 1367 CE1 TYR A 88 85.446 -0.738 4.986 1.00 0.00 C ATOM 1368 CE2 TYR A 88 83.151 -0.113 5.447 1.00 0.00 C ATOM 1369 CZ TYR A 88 84.492 -0.176 5.841 1.00 0.00 C ATOM 1370 OH TYR A 88 84.871 0.313 7.074 1.00 0.00 O ATOM 0 H TYR A 88 81.844 -3.864 1.333 1.00 0.00 H new ATOM 0 HA TYR A 88 84.728 -3.186 1.332 1.00 0.00 H new ATOM 0 HB2 TYR A 88 83.660 -1.167 1.200 1.00 0.00 H new ATOM 0 HB3 TYR A 88 82.190 -1.763 1.945 1.00 0.00 H new ATOM 0 HD1 TYR A 88 85.794 -1.691 3.088 1.00 0.00 H new ATOM 0 HD2 TYR A 88 81.730 -0.561 3.894 1.00 0.00 H new ATOM 0 HE1 TYR A 88 86.483 -0.778 5.286 1.00 0.00 H new ATOM 0 HE2 TYR A 88 82.414 0.323 6.106 1.00 0.00 H new ATOM 0 HH TYR A 88 85.847 0.277 7.154 1.00 0.00 H new ATOM 1380 N PRO A 89 83.083 -4.227 4.010 1.00 0.00 N ATOM 1381 CA PRO A 89 83.260 -4.786 5.368 1.00 0.00 C ATOM 1382 C PRO A 89 83.596 -6.281 5.329 1.00 0.00 C ATOM 1383 O PRO A 89 83.801 -6.907 6.350 1.00 0.00 O ATOM 1384 CB PRO A 89 81.902 -4.538 6.018 1.00 0.00 C ATOM 1385 CG PRO A 89 80.911 -4.587 4.894 1.00 0.00 C ATOM 1386 CD PRO A 89 81.673 -4.257 3.601 1.00 0.00 C ATOM 0 HA PRO A 89 84.088 -4.330 5.910 1.00 0.00 H new ATOM 0 HB2 PRO A 89 81.682 -5.296 6.770 1.00 0.00 H new ATOM 0 HB3 PRO A 89 81.878 -3.572 6.522 1.00 0.00 H new ATOM 0 HG2 PRO A 89 80.452 -5.573 4.829 1.00 0.00 H new ATOM 0 HG3 PRO A 89 80.106 -3.871 5.059 1.00 0.00 H new ATOM 0 HD2 PRO A 89 81.497 -5.010 2.832 1.00 0.00 H new ATOM 0 HD3 PRO A 89 81.358 -3.299 3.187 1.00 0.00 H new ATOM 1394 N ASN A 90 83.653 -6.859 4.154 1.00 0.00 N ATOM 1395 CA ASN A 90 83.974 -8.314 4.053 1.00 0.00 C ATOM 1396 C ASN A 90 84.833 -8.574 2.811 1.00 0.00 C ATOM 1397 O ASN A 90 84.691 -9.585 2.162 1.00 0.00 O ATOM 1398 CB ASN A 90 82.666 -9.104 3.931 1.00 0.00 C ATOM 1399 CG ASN A 90 82.816 -10.466 4.616 1.00 0.00 C ATOM 1400 OD1 ASN A 90 82.949 -10.542 5.821 1.00 0.00 O ATOM 1401 ND2 ASN A 90 82.801 -11.552 3.892 1.00 0.00 N ATOM 0 H ASN A 90 83.492 -6.387 3.264 1.00 0.00 H new ATOM 0 HA ASN A 90 84.522 -8.627 4.942 1.00 0.00 H new ATOM 0 HB2 ASN A 90 81.849 -8.545 4.388 1.00 0.00 H new ATOM 0 HB3 ASN A 90 82.410 -9.241 2.880 1.00 0.00 H new ATOM 0 HD21 ASN A 90 82.901 -12.464 4.338 1.00 0.00 H new ATOM 0 HD22 ASN A 90 82.689 -11.489 2.880 1.00 0.00 H new ATOM 1408 N CYS A 91 85.716 -7.674 2.471 1.00 0.00 N ATOM 1409 CA CYS A 91 86.559 -7.880 1.258 1.00 0.00 C ATOM 1410 C CYS A 91 87.741 -8.796 1.578 1.00 0.00 C ATOM 1411 O CYS A 91 88.505 -8.548 2.489 1.00 0.00 O ATOM 1412 CB CYS A 91 87.105 -6.525 0.799 1.00 0.00 C ATOM 1413 SG CYS A 91 87.723 -5.617 2.230 1.00 0.00 S ATOM 0 H CYS A 91 85.890 -6.807 2.979 1.00 0.00 H new ATOM 0 HA CYS A 91 85.950 -8.337 0.478 1.00 0.00 H new ATOM 0 HB2 CYS A 91 87.904 -6.669 0.072 1.00 0.00 H new ATOM 0 HB3 CYS A 91 86.321 -5.954 0.302 1.00 0.00 H new ATOM 1418 N ARG A 92 87.913 -9.836 0.804 1.00 0.00 N ATOM 1419 CA ARG A 92 89.064 -10.760 1.020 1.00 0.00 C ATOM 1420 C ARG A 92 89.995 -10.626 -0.185 1.00 0.00 C ATOM 1421 O ARG A 92 89.548 -10.618 -1.326 1.00 0.00 O ATOM 1422 CB ARG A 92 88.568 -12.206 1.145 1.00 0.00 C ATOM 1423 CG ARG A 92 87.340 -12.408 0.259 1.00 0.00 C ATOM 1424 CD ARG A 92 87.067 -13.905 0.097 1.00 0.00 C ATOM 1425 NE ARG A 92 87.251 -14.588 1.409 1.00 0.00 N ATOM 1426 CZ ARG A 92 86.381 -14.409 2.365 1.00 0.00 C ATOM 1427 NH1 ARG A 92 85.350 -13.632 2.173 1.00 0.00 N ATOM 1428 NH2 ARG A 92 86.542 -15.008 3.514 1.00 0.00 N ATOM 0 H ARG A 92 87.301 -10.086 0.027 1.00 0.00 H new ATOM 0 HA ARG A 92 89.589 -10.505 1.940 1.00 0.00 H new ATOM 0 HB2 ARG A 92 89.358 -12.898 0.852 1.00 0.00 H new ATOM 0 HB3 ARG A 92 88.320 -12.427 2.183 1.00 0.00 H new ATOM 0 HG2 ARG A 92 86.474 -11.916 0.702 1.00 0.00 H new ATOM 0 HG3 ARG A 92 87.503 -11.950 -0.716 1.00 0.00 H new ATOM 0 HD2 ARG A 92 86.052 -14.063 -0.268 1.00 0.00 H new ATOM 0 HD3 ARG A 92 87.743 -14.331 -0.645 1.00 0.00 H new ATOM 0 HE ARG A 92 88.057 -15.195 1.560 1.00 0.00 H new ATOM 0 HH11 ARG A 92 85.224 -13.164 1.275 1.00 0.00 H new ATOM 0 HH12 ARG A 92 84.670 -13.492 2.921 1.00 0.00 H new ATOM 0 HH21 ARG A 92 87.348 -15.615 3.664 1.00 0.00 H new ATOM 0 HH22 ARG A 92 85.862 -14.868 4.262 1.00 0.00 H new ATOM 1442 N TYR A 93 91.278 -10.478 0.058 1.00 0.00 N ATOM 1443 CA TYR A 93 92.242 -10.299 -1.060 1.00 0.00 C ATOM 1444 C TYR A 93 93.134 -11.522 -1.214 1.00 0.00 C ATOM 1445 O TYR A 93 93.266 -12.342 -0.328 1.00 0.00 O ATOM 1446 CB TYR A 93 93.130 -9.092 -0.765 1.00 0.00 C ATOM 1447 CG TYR A 93 92.273 -7.861 -0.685 1.00 0.00 C ATOM 1448 CD1 TYR A 93 91.368 -7.712 0.370 1.00 0.00 C ATOM 1449 CD2 TYR A 93 92.371 -6.876 -1.670 1.00 0.00 C ATOM 1450 CE1 TYR A 93 90.562 -6.578 0.441 1.00 0.00 C ATOM 1451 CE2 TYR A 93 91.561 -5.742 -1.603 1.00 0.00 C ATOM 1452 CZ TYR A 93 90.656 -5.591 -0.549 1.00 0.00 C ATOM 1453 OH TYR A 93 89.864 -4.469 -0.485 1.00 0.00 O ATOM 0 H TYR A 93 91.694 -10.475 0.989 1.00 0.00 H new ATOM 0 HA TYR A 93 91.676 -10.153 -1.980 1.00 0.00 H new ATOM 0 HB2 TYR A 93 93.666 -9.239 0.173 1.00 0.00 H new ATOM 0 HB3 TYR A 93 93.881 -8.977 -1.547 1.00 0.00 H new ATOM 0 HD1 TYR A 93 91.294 -8.476 1.130 1.00 0.00 H new ATOM 0 HD2 TYR A 93 93.073 -6.992 -2.483 1.00 0.00 H new ATOM 0 HE1 TYR A 93 89.866 -6.460 1.258 1.00 0.00 H new ATOM 0 HE2 TYR A 93 91.633 -4.981 -2.366 1.00 0.00 H new ATOM 0 HH TYR A 93 89.602 -4.201 -1.391 1.00 0.00 H new ATOM 1463 N LYS A 94 93.770 -11.609 -2.341 1.00 0.00 N ATOM 1464 CA LYS A 94 94.705 -12.723 -2.619 1.00 0.00 C ATOM 1465 C LYS A 94 96.069 -12.092 -2.868 1.00 0.00 C ATOM 1466 O LYS A 94 96.176 -11.086 -3.546 1.00 0.00 O ATOM 1467 CB LYS A 94 94.241 -13.491 -3.864 1.00 0.00 C ATOM 1468 CG LYS A 94 93.481 -14.755 -3.443 1.00 0.00 C ATOM 1469 CD LYS A 94 94.475 -15.842 -3.021 1.00 0.00 C ATOM 1470 CE LYS A 94 93.769 -17.199 -2.999 1.00 0.00 C ATOM 1471 NZ LYS A 94 94.664 -18.214 -2.376 1.00 0.00 N ATOM 0 H LYS A 94 93.678 -10.936 -3.101 1.00 0.00 H new ATOM 0 HA LYS A 94 94.746 -13.427 -1.788 1.00 0.00 H new ATOM 0 HB2 LYS A 94 93.599 -12.857 -4.475 1.00 0.00 H new ATOM 0 HB3 LYS A 94 95.101 -13.760 -4.478 1.00 0.00 H new ATOM 0 HG2 LYS A 94 92.806 -14.527 -2.618 1.00 0.00 H new ATOM 0 HG3 LYS A 94 92.866 -15.113 -4.269 1.00 0.00 H new ATOM 0 HD2 LYS A 94 95.316 -15.869 -3.714 1.00 0.00 H new ATOM 0 HD3 LYS A 94 94.881 -15.615 -2.035 1.00 0.00 H new ATOM 0 HE2 LYS A 94 92.837 -17.127 -2.438 1.00 0.00 H new ATOM 0 HE3 LYS A 94 93.508 -17.502 -4.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 94.185 -19.137 -2.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 95.542 -18.289 -2.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 94.891 -17.926 -1.403 1.00 0.00 H new ATOM 1485 N GLU A 95 97.106 -12.644 -2.310 1.00 0.00 N ATOM 1486 CA GLU A 95 98.451 -12.040 -2.499 1.00 0.00 C ATOM 1487 C GLU A 95 99.139 -12.673 -3.712 1.00 0.00 C ATOM 1488 O GLU A 95 99.283 -13.876 -3.804 1.00 0.00 O ATOM 1489 CB GLU A 95 99.283 -12.266 -1.225 1.00 0.00 C ATOM 1490 CG GLU A 95 100.098 -13.554 -1.341 1.00 0.00 C ATOM 1491 CD GLU A 95 100.692 -13.907 0.024 1.00 0.00 C ATOM 1492 OE1 GLU A 95 100.496 -13.138 0.950 1.00 0.00 O ATOM 1493 OE2 GLU A 95 101.333 -14.941 0.120 1.00 0.00 O ATOM 0 H GLU A 95 97.082 -13.485 -1.733 1.00 0.00 H new ATOM 0 HA GLU A 95 98.357 -10.969 -2.680 1.00 0.00 H new ATOM 0 HB2 GLU A 95 99.950 -11.419 -1.064 1.00 0.00 H new ATOM 0 HB3 GLU A 95 98.624 -12.322 -0.358 1.00 0.00 H new ATOM 0 HG2 GLU A 95 99.464 -14.367 -1.695 1.00 0.00 H new ATOM 0 HG3 GLU A 95 100.894 -13.428 -2.074 1.00 0.00 H new ATOM 1500 N LYS A 96 99.570 -11.865 -4.641 1.00 0.00 N ATOM 1501 CA LYS A 96 100.260 -12.408 -5.845 1.00 0.00 C ATOM 1502 C LYS A 96 101.735 -12.016 -5.776 1.00 0.00 C ATOM 1503 O LYS A 96 102.088 -10.870 -5.951 1.00 0.00 O ATOM 1504 CB LYS A 96 99.630 -11.804 -7.103 1.00 0.00 C ATOM 1505 CG LYS A 96 100.050 -12.619 -8.328 1.00 0.00 C ATOM 1506 CD LYS A 96 99.422 -12.013 -9.585 1.00 0.00 C ATOM 1507 CE LYS A 96 99.858 -12.815 -10.812 1.00 0.00 C ATOM 1508 NZ LYS A 96 99.491 -12.070 -12.049 1.00 0.00 N ATOM 0 H LYS A 96 99.474 -10.850 -4.618 1.00 0.00 H new ATOM 0 HA LYS A 96 100.163 -13.493 -5.879 1.00 0.00 H new ATOM 0 HB2 LYS A 96 98.544 -11.799 -7.012 1.00 0.00 H new ATOM 0 HB3 LYS A 96 99.945 -10.767 -7.218 1.00 0.00 H new ATOM 0 HG2 LYS A 96 101.136 -12.626 -8.418 1.00 0.00 H new ATOM 0 HG3 LYS A 96 99.733 -13.656 -8.214 1.00 0.00 H new ATOM 0 HD2 LYS A 96 98.335 -12.020 -9.501 1.00 0.00 H new ATOM 0 HD3 LYS A 96 99.727 -10.972 -9.691 1.00 0.00 H new ATOM 0 HE2 LYS A 96 100.934 -12.987 -10.784 1.00 0.00 H new ATOM 0 HE3 LYS A 96 99.379 -13.794 -10.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 99.787 -12.615 -12.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 98.461 -11.928 -12.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 99.968 -11.146 -12.052 1.00 0.00 H new ATOM 1522 N ARG A 97 102.596 -12.956 -5.515 1.00 0.00 N ATOM 1523 CA ARG A 97 104.047 -12.627 -5.421 1.00 0.00 C ATOM 1524 C ARG A 97 104.639 -12.413 -6.816 1.00 0.00 C ATOM 1525 O ARG A 97 104.811 -13.346 -7.575 1.00 0.00 O ATOM 1526 CB ARG A 97 104.787 -13.779 -4.733 1.00 0.00 C ATOM 1527 CG ARG A 97 106.295 -13.643 -4.977 1.00 0.00 C ATOM 1528 CD ARG A 97 107.059 -14.478 -3.948 1.00 0.00 C ATOM 1529 NE ARG A 97 106.483 -15.851 -3.897 1.00 0.00 N ATOM 1530 CZ ARG A 97 106.790 -16.723 -4.818 1.00 0.00 C ATOM 1531 NH1 ARG A 97 107.603 -16.392 -5.784 1.00 0.00 N ATOM 1532 NH2 ARG A 97 106.285 -17.925 -4.773 1.00 0.00 N ATOM 0 H ARG A 97 102.361 -13.937 -5.363 1.00 0.00 H new ATOM 0 HA ARG A 97 104.161 -11.710 -4.842 1.00 0.00 H new ATOM 0 HB2 ARG A 97 104.580 -13.770 -3.663 1.00 0.00 H new ATOM 0 HB3 ARG A 97 104.431 -14.734 -5.118 1.00 0.00 H new ATOM 0 HG2 ARG A 97 106.542 -13.975 -5.985 1.00 0.00 H new ATOM 0 HG3 ARG A 97 106.592 -12.597 -4.904 1.00 0.00 H new ATOM 0 HD2 ARG A 97 108.115 -14.525 -4.214 1.00 0.00 H new ATOM 0 HD3 ARG A 97 106.998 -14.010 -2.966 1.00 0.00 H new ATOM 0 HE ARG A 97 105.848 -16.110 -3.142 1.00 0.00 H new ATOM 0 HH11 ARG A 97 107.998 -15.452 -5.819 1.00 0.00 H new ATOM 0 HH12 ARG A 97 107.843 -17.073 -6.504 1.00 0.00 H new ATOM 0 HH21 ARG A 97 105.650 -18.183 -4.018 1.00 0.00 H new ATOM 0 HH22 ARG A 97 106.525 -18.606 -5.493 1.00 0.00 H new ATOM 1546 N GLN A 98 104.979 -11.193 -7.146 1.00 0.00 N ATOM 1547 CA GLN A 98 105.593 -10.919 -8.479 1.00 0.00 C ATOM 1548 C GLN A 98 106.994 -10.339 -8.256 1.00 0.00 C ATOM 1549 O GLN A 98 107.345 -9.971 -7.159 1.00 0.00 O ATOM 1550 CB GLN A 98 104.729 -9.913 -9.252 1.00 0.00 C ATOM 1551 CG GLN A 98 104.844 -10.184 -10.755 1.00 0.00 C ATOM 1552 CD GLN A 98 104.012 -11.415 -11.118 1.00 0.00 C ATOM 1553 OE1 GLN A 98 102.814 -11.322 -11.298 1.00 0.00 O ATOM 1554 NE2 GLN A 98 104.601 -12.574 -11.236 1.00 0.00 N ATOM 0 H GLN A 98 104.858 -10.375 -6.549 1.00 0.00 H new ATOM 0 HA GLN A 98 105.658 -11.840 -9.058 1.00 0.00 H new ATOM 0 HB2 GLN A 98 103.689 -9.994 -8.936 1.00 0.00 H new ATOM 0 HB3 GLN A 98 105.051 -8.896 -9.030 1.00 0.00 H new ATOM 0 HG2 GLN A 98 104.497 -9.318 -11.319 1.00 0.00 H new ATOM 0 HG3 GLN A 98 105.887 -10.344 -11.027 1.00 0.00 H new ATOM 0 HE21 GLN A 98 105.607 -12.653 -11.085 1.00 0.00 H new ATOM 0 HE22 GLN A 98 104.056 -13.401 -11.479 1.00 0.00 H new ATOM 1563 N ASN A 99 107.793 -10.253 -9.284 1.00 0.00 N ATOM 1564 CA ASN A 99 109.171 -9.687 -9.129 1.00 0.00 C ATOM 1565 C ASN A 99 109.381 -8.621 -10.195 1.00 0.00 C ATOM 1566 O ASN A 99 109.502 -8.918 -11.366 1.00 0.00 O ATOM 1567 CB ASN A 99 110.206 -10.800 -9.305 1.00 0.00 C ATOM 1568 CG ASN A 99 109.945 -11.907 -8.281 1.00 0.00 C ATOM 1569 OD1 ASN A 99 110.571 -11.947 -7.240 1.00 0.00 O ATOM 1570 ND2 ASN A 99 109.041 -12.813 -8.534 1.00 0.00 N ATOM 0 H ASN A 99 107.553 -10.550 -10.230 1.00 0.00 H new ATOM 0 HA ASN A 99 109.285 -9.250 -8.137 1.00 0.00 H new ATOM 0 HB2 ASN A 99 110.152 -11.205 -10.316 1.00 0.00 H new ATOM 0 HB3 ASN A 99 111.212 -10.400 -9.175 1.00 0.00 H new ATOM 0 HD21 ASN A 99 108.859 -13.555 -7.858 1.00 0.00 H new ATOM 0 HD22 ASN A 99 108.516 -12.779 -9.408 1.00 0.00 H new ATOM 1577 N LYS A 100 109.420 -7.380 -9.802 1.00 0.00 N ATOM 1578 CA LYS A 100 109.612 -6.289 -10.797 1.00 0.00 C ATOM 1579 C LYS A 100 110.169 -5.056 -10.088 1.00 0.00 C ATOM 1580 O LYS A 100 109.982 -4.877 -8.901 1.00 0.00 O ATOM 1581 CB LYS A 100 108.263 -5.924 -11.431 1.00 0.00 C ATOM 1582 CG LYS A 100 107.516 -7.186 -11.877 1.00 0.00 C ATOM 1583 CD LYS A 100 106.169 -6.790 -12.490 1.00 0.00 C ATOM 1584 CE LYS A 100 105.734 -7.845 -13.511 1.00 0.00 C ATOM 1585 NZ LYS A 100 106.210 -9.188 -13.073 1.00 0.00 N ATOM 0 H LYS A 100 109.327 -7.073 -8.834 1.00 0.00 H new ATOM 0 HA LYS A 100 110.303 -6.625 -11.570 1.00 0.00 H new ATOM 0 HB2 LYS A 100 107.656 -5.370 -10.714 1.00 0.00 H new ATOM 0 HB3 LYS A 100 108.423 -5.268 -12.287 1.00 0.00 H new ATOM 0 HG2 LYS A 100 108.112 -7.736 -12.605 1.00 0.00 H new ATOM 0 HG3 LYS A 100 107.360 -7.849 -11.026 1.00 0.00 H new ATOM 0 HD2 LYS A 100 105.416 -6.696 -11.707 1.00 0.00 H new ATOM 0 HD3 LYS A 100 106.251 -5.816 -12.972 1.00 0.00 H new ATOM 0 HE2 LYS A 100 104.648 -7.846 -13.608 1.00 0.00 H new ATOM 0 HE3 LYS A 100 106.142 -7.606 -14.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 107.082 -9.431 -13.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 106.401 -9.172 -12.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 105.479 -9.899 -13.278 1.00 0.00 H new ATOM 1599 N SER A 101 110.837 -4.192 -10.803 1.00 0.00 N ATOM 1600 CA SER A 101 111.382 -2.968 -10.156 1.00 0.00 C ATOM 1601 C SER A 101 110.268 -1.936 -10.086 1.00 0.00 C ATOM 1602 O SER A 101 109.756 -1.496 -11.091 1.00 0.00 O ATOM 1603 CB SER A 101 112.540 -2.408 -10.976 1.00 0.00 C ATOM 1604 OG SER A 101 113.531 -1.889 -10.099 1.00 0.00 O ATOM 0 H SER A 101 111.027 -4.281 -11.801 1.00 0.00 H new ATOM 0 HA SER A 101 111.748 -3.209 -9.158 1.00 0.00 H new ATOM 0 HB2 SER A 101 112.967 -3.190 -11.604 1.00 0.00 H new ATOM 0 HB3 SER A 101 112.182 -1.624 -11.643 1.00 0.00 H new ATOM 0 HG SER A 101 113.097 -1.439 -9.345 1.00 0.00 H new ATOM 1610 N TYR A 102 109.882 -1.560 -8.909 1.00 0.00 N ATOM 1611 CA TYR A 102 108.781 -0.571 -8.768 1.00 0.00 C ATOM 1612 C TYR A 102 109.350 0.793 -8.459 1.00 0.00 C ATOM 1613 O TYR A 102 110.544 0.989 -8.455 1.00 0.00 O ATOM 1614 CB TYR A 102 107.896 -0.982 -7.599 1.00 0.00 C ATOM 1615 CG TYR A 102 108.774 -1.303 -6.405 1.00 0.00 C ATOM 1616 CD1 TYR A 102 109.627 -0.329 -5.852 1.00 0.00 C ATOM 1617 CD2 TYR A 102 108.731 -2.577 -5.844 1.00 0.00 C ATOM 1618 CE1 TYR A 102 110.428 -0.647 -4.749 1.00 0.00 C ATOM 1619 CE2 TYR A 102 109.527 -2.887 -4.739 1.00 0.00 C ATOM 1620 CZ TYR A 102 110.378 -1.925 -4.194 1.00 0.00 C ATOM 1621 OH TYR A 102 111.165 -2.238 -3.106 1.00 0.00 O ATOM 0 H TYR A 102 110.281 -1.894 -8.031 1.00 0.00 H new ATOM 0 HA TYR A 102 108.213 -0.537 -9.698 1.00 0.00 H new ATOM 0 HB2 TYR A 102 107.202 -0.179 -7.351 1.00 0.00 H new ATOM 0 HB3 TYR A 102 107.295 -1.850 -7.869 1.00 0.00 H new ATOM 0 HD1 TYR A 102 109.663 0.663 -6.278 1.00 0.00 H new ATOM 0 HD2 TYR A 102 108.079 -3.328 -6.265 1.00 0.00 H new ATOM 0 HE1 TYR A 102 111.086 0.099 -4.327 1.00 0.00 H new ATOM 0 HE2 TYR A 102 109.484 -3.875 -4.305 1.00 0.00 H new ATOM 0 HH TYR A 102 111.988 -1.707 -3.134 1.00 0.00 H new ATOM 1631 N VAL A 103 108.495 1.728 -8.160 1.00 0.00 N ATOM 1632 CA VAL A 103 108.977 3.087 -7.801 1.00 0.00 C ATOM 1633 C VAL A 103 108.243 3.565 -6.571 1.00 0.00 C ATOM 1634 O VAL A 103 107.054 3.807 -6.597 1.00 0.00 O ATOM 1635 CB VAL A 103 108.730 4.066 -8.934 1.00 0.00 C ATOM 1636 CG1 VAL A 103 109.834 5.129 -8.942 1.00 0.00 C ATOM 1637 CG2 VAL A 103 108.738 3.302 -10.241 1.00 0.00 C ATOM 0 H VAL A 103 107.482 1.609 -8.149 1.00 0.00 H new ATOM 0 HA VAL A 103 110.049 3.035 -7.610 1.00 0.00 H new ATOM 0 HB VAL A 103 107.767 4.560 -8.802 1.00 0.00 H new ATOM 0 HG11 VAL A 103 109.656 5.832 -9.756 1.00 0.00 H new ATOM 0 HG12 VAL A 103 109.830 5.665 -7.993 1.00 0.00 H new ATOM 0 HG13 VAL A 103 110.802 4.648 -9.083 1.00 0.00 H new ATOM 0 HG21 VAL A 103 108.562 3.992 -11.067 1.00 0.00 H new ATOM 0 HG22 VAL A 103 109.705 2.817 -10.373 1.00 0.00 H new ATOM 0 HG23 VAL A 103 107.953 2.546 -10.225 1.00 0.00 H new ATOM 1647 N VAL A 104 108.947 3.715 -5.500 1.00 0.00 N ATOM 1648 CA VAL A 104 108.304 4.196 -4.255 1.00 0.00 C ATOM 1649 C VAL A 104 108.829 5.604 -3.961 1.00 0.00 C ATOM 1650 O VAL A 104 109.968 5.923 -4.253 1.00 0.00 O ATOM 1651 CB VAL A 104 108.601 3.213 -3.100 1.00 0.00 C ATOM 1652 CG1 VAL A 104 109.485 2.069 -3.601 1.00 0.00 C ATOM 1653 CG2 VAL A 104 109.302 3.932 -1.941 1.00 0.00 C ATOM 0 H VAL A 104 109.947 3.525 -5.428 1.00 0.00 H new ATOM 0 HA VAL A 104 107.221 4.242 -4.366 1.00 0.00 H new ATOM 0 HB VAL A 104 107.653 2.811 -2.741 1.00 0.00 H new ATOM 0 HG11 VAL A 104 109.689 1.381 -2.781 1.00 0.00 H new ATOM 0 HG12 VAL A 104 108.972 1.537 -4.402 1.00 0.00 H new ATOM 0 HG13 VAL A 104 110.424 2.473 -3.978 1.00 0.00 H new ATOM 0 HG21 VAL A 104 109.501 3.221 -1.139 1.00 0.00 H new ATOM 0 HG22 VAL A 104 110.243 4.357 -2.292 1.00 0.00 H new ATOM 0 HG23 VAL A 104 108.661 4.730 -1.567 1.00 0.00 H new ATOM 1663 N ALA A 105 108.008 6.455 -3.403 1.00 0.00 N ATOM 1664 CA ALA A 105 108.464 7.837 -3.105 1.00 0.00 C ATOM 1665 C ALA A 105 108.981 7.883 -1.675 1.00 0.00 C ATOM 1666 O ALA A 105 108.795 6.953 -0.917 1.00 0.00 O ATOM 1667 CB ALA A 105 107.301 8.811 -3.284 1.00 0.00 C ATOM 0 H ALA A 105 107.043 6.249 -3.143 1.00 0.00 H new ATOM 0 HA ALA A 105 109.263 8.125 -3.788 1.00 0.00 H new ATOM 0 HB1 ALA A 105 107.638 9.824 -3.065 1.00 0.00 H new ATOM 0 HB2 ALA A 105 106.941 8.763 -4.312 1.00 0.00 H new ATOM 0 HB3 ALA A 105 106.493 8.542 -2.603 1.00 0.00 H new ATOM 1673 N CYS A 106 109.669 8.932 -1.306 1.00 0.00 N ATOM 1674 CA CYS A 106 110.230 8.985 0.082 1.00 0.00 C ATOM 1675 C CYS A 106 109.790 10.248 0.823 1.00 0.00 C ATOM 1676 O CYS A 106 109.420 11.242 0.230 1.00 0.00 O ATOM 1677 CB CYS A 106 111.760 8.953 0.010 1.00 0.00 C ATOM 1678 SG CYS A 106 112.280 8.861 -1.714 1.00 0.00 S ATOM 0 H CYS A 106 109.866 9.743 -1.892 1.00 0.00 H new ATOM 0 HA CYS A 106 109.853 8.122 0.630 1.00 0.00 H new ATOM 0 HB2 CYS A 106 112.175 9.845 0.479 1.00 0.00 H new ATOM 0 HB3 CYS A 106 112.143 8.095 0.563 1.00 0.00 H new ATOM 1683 N LYS A 107 109.850 10.200 2.131 1.00 0.00 N ATOM 1684 CA LYS A 107 109.460 11.376 2.962 1.00 0.00 C ATOM 1685 C LYS A 107 110.341 11.398 4.215 1.00 0.00 C ATOM 1686 O LYS A 107 110.922 10.392 4.591 1.00 0.00 O ATOM 1687 CB LYS A 107 107.986 11.243 3.380 1.00 0.00 C ATOM 1688 CG LYS A 107 107.073 11.868 2.311 1.00 0.00 C ATOM 1689 CD LYS A 107 106.794 13.340 2.637 1.00 0.00 C ATOM 1690 CE LYS A 107 105.633 13.840 1.776 1.00 0.00 C ATOM 1691 NZ LYS A 107 105.910 13.536 0.344 1.00 0.00 N ATOM 0 H LYS A 107 110.157 9.385 2.662 1.00 0.00 H new ATOM 0 HA LYS A 107 109.590 12.296 2.392 1.00 0.00 H new ATOM 0 HB2 LYS A 107 107.732 10.192 3.516 1.00 0.00 H new ATOM 0 HB3 LYS A 107 107.826 11.736 4.339 1.00 0.00 H new ATOM 0 HG2 LYS A 107 107.544 11.789 1.331 1.00 0.00 H new ATOM 0 HG3 LYS A 107 106.134 11.317 2.259 1.00 0.00 H new ATOM 0 HD2 LYS A 107 106.551 13.450 3.694 1.00 0.00 H new ATOM 0 HD3 LYS A 107 107.684 13.940 2.450 1.00 0.00 H new ATOM 0 HE2 LYS A 107 104.704 13.363 2.087 1.00 0.00 H new ATOM 0 HE3 LYS A 107 105.501 14.913 1.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 105.313 14.136 -0.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 106.912 13.724 0.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 105.699 12.535 0.154 1.00 0.00 H new ATOM 1705 N PRO A 108 110.440 12.528 4.866 1.00 0.00 N ATOM 1706 CA PRO A 108 111.255 12.657 6.103 1.00 0.00 C ATOM 1707 C PRO A 108 110.578 11.957 7.294 1.00 0.00 C ATOM 1708 O PRO A 108 109.393 12.113 7.513 1.00 0.00 O ATOM 1709 CB PRO A 108 111.332 14.170 6.336 1.00 0.00 C ATOM 1710 CG PRO A 108 110.124 14.735 5.664 1.00 0.00 C ATOM 1711 CD PRO A 108 109.796 13.801 4.496 1.00 0.00 C ATOM 0 HA PRO A 108 112.236 12.191 6.004 1.00 0.00 H new ATOM 0 HB2 PRO A 108 111.335 14.404 7.401 1.00 0.00 H new ATOM 0 HB3 PRO A 108 112.247 14.587 5.915 1.00 0.00 H new ATOM 0 HG2 PRO A 108 109.286 14.795 6.359 1.00 0.00 H new ATOM 0 HG3 PRO A 108 110.316 15.747 5.308 1.00 0.00 H new ATOM 0 HD2 PRO A 108 108.720 13.682 4.370 1.00 0.00 H new ATOM 0 HD3 PRO A 108 110.186 14.187 3.554 1.00 0.00 H new ATOM 1719 N PRO A 109 111.320 11.197 8.059 1.00 0.00 N ATOM 1720 CA PRO A 109 110.768 10.478 9.240 1.00 0.00 C ATOM 1721 C PRO A 109 109.920 11.421 10.100 1.00 0.00 C ATOM 1722 O PRO A 109 110.436 12.264 10.806 1.00 0.00 O ATOM 1723 CB PRO A 109 112.011 9.995 9.998 1.00 0.00 C ATOM 1724 CG PRO A 109 113.135 9.999 9.014 1.00 0.00 C ATOM 1725 CD PRO A 109 112.755 10.956 7.884 1.00 0.00 C ATOM 0 HA PRO A 109 110.109 9.655 8.965 1.00 0.00 H new ATOM 0 HB2 PRO A 109 112.231 10.650 10.841 1.00 0.00 H new ATOM 0 HB3 PRO A 109 111.854 8.996 10.404 1.00 0.00 H new ATOM 0 HG2 PRO A 109 114.061 10.319 9.492 1.00 0.00 H new ATOM 0 HG3 PRO A 109 113.307 8.996 8.625 1.00 0.00 H new ATOM 0 HD2 PRO A 109 113.322 11.885 7.946 1.00 0.00 H new ATOM 0 HD3 PRO A 109 112.966 10.518 6.908 1.00 0.00 H new ATOM 1733 N GLN A 110 108.620 11.297 10.025 1.00 0.00 N ATOM 1734 CA GLN A 110 107.729 12.197 10.813 1.00 0.00 C ATOM 1735 C GLN A 110 108.274 12.379 12.228 1.00 0.00 C ATOM 1736 O GLN A 110 109.120 13.215 12.479 1.00 0.00 O ATOM 1737 CB GLN A 110 106.329 11.584 10.888 1.00 0.00 C ATOM 1738 CG GLN A 110 105.765 11.421 9.476 1.00 0.00 C ATOM 1739 CD GLN A 110 105.301 12.781 8.950 1.00 0.00 C ATOM 1740 OE1 GLN A 110 104.430 13.403 9.524 1.00 0.00 O ATOM 1741 NE2 GLN A 110 105.851 13.272 7.873 1.00 0.00 N ATOM 0 H GLN A 110 108.136 10.608 9.449 1.00 0.00 H new ATOM 0 HA GLN A 110 107.686 13.169 10.322 1.00 0.00 H new ATOM 0 HB2 GLN A 110 106.371 10.616 11.388 1.00 0.00 H new ATOM 0 HB3 GLN A 110 105.673 12.221 11.481 1.00 0.00 H new ATOM 0 HG2 GLN A 110 106.525 11.004 8.815 1.00 0.00 H new ATOM 0 HG3 GLN A 110 104.931 10.719 9.485 1.00 0.00 H new ATOM 0 HE21 GLN A 110 106.583 12.750 7.391 1.00 0.00 H new ATOM 0 HE22 GLN A 110 105.549 14.178 7.514 1.00 0.00 H new ATOM 1750 N LYS A 111 107.785 11.606 13.155 1.00 0.00 N ATOM 1751 CA LYS A 111 108.252 11.722 14.566 1.00 0.00 C ATOM 1752 C LYS A 111 108.491 10.324 15.129 1.00 0.00 C ATOM 1753 O LYS A 111 109.166 10.150 16.124 1.00 0.00 O ATOM 1754 CB LYS A 111 107.183 12.428 15.411 1.00 0.00 C ATOM 1755 CG LYS A 111 106.472 13.508 14.584 1.00 0.00 C ATOM 1756 CD LYS A 111 107.398 14.715 14.387 1.00 0.00 C ATOM 1757 CE LYS A 111 107.220 15.698 15.547 1.00 0.00 C ATOM 1758 NZ LYS A 111 105.809 16.176 15.582 1.00 0.00 N ATOM 0 H LYS A 111 107.075 10.891 12.995 1.00 0.00 H new ATOM 0 HA LYS A 111 109.176 12.300 14.595 1.00 0.00 H new ATOM 0 HB2 LYS A 111 106.456 11.700 15.771 1.00 0.00 H new ATOM 0 HB3 LYS A 111 107.645 12.879 16.289 1.00 0.00 H new ATOM 0 HG2 LYS A 111 106.180 13.102 13.616 1.00 0.00 H new ATOM 0 HG3 LYS A 111 105.557 13.820 15.088 1.00 0.00 H new ATOM 0 HD2 LYS A 111 108.435 14.385 14.334 1.00 0.00 H new ATOM 0 HD3 LYS A 111 107.172 15.208 13.442 1.00 0.00 H new ATOM 0 HE2 LYS A 111 107.475 15.214 16.490 1.00 0.00 H new ATOM 0 HE3 LYS A 111 107.898 16.543 15.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 105.784 17.159 15.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 105.403 16.129 14.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 105.254 15.574 16.224 1.00 0.00 H new ATOM 1772 N LYS A 112 107.952 9.322 14.492 1.00 0.00 N ATOM 1773 CA LYS A 112 108.159 7.939 14.981 1.00 0.00 C ATOM 1774 C LYS A 112 109.493 7.462 14.435 1.00 0.00 C ATOM 1775 O LYS A 112 110.272 6.837 15.125 1.00 0.00 O ATOM 1776 CB LYS A 112 107.032 7.027 14.479 1.00 0.00 C ATOM 1777 CG LYS A 112 105.772 7.852 14.194 1.00 0.00 C ATOM 1778 CD LYS A 112 105.324 8.567 15.472 1.00 0.00 C ATOM 1779 CE LYS A 112 103.861 8.999 15.336 1.00 0.00 C ATOM 1780 NZ LYS A 112 103.016 7.812 15.018 1.00 0.00 N ATOM 0 H LYS A 112 107.377 9.406 13.654 1.00 0.00 H new ATOM 0 HA LYS A 112 108.154 7.912 16.071 1.00 0.00 H new ATOM 0 HB2 LYS A 112 107.349 6.509 13.574 1.00 0.00 H new ATOM 0 HB3 LYS A 112 106.814 6.262 15.224 1.00 0.00 H new ATOM 0 HG2 LYS A 112 105.973 8.581 13.409 1.00 0.00 H new ATOM 0 HG3 LYS A 112 104.975 7.203 13.830 1.00 0.00 H new ATOM 0 HD2 LYS A 112 105.439 7.905 16.330 1.00 0.00 H new ATOM 0 HD3 LYS A 112 105.955 9.437 15.654 1.00 0.00 H new ATOM 0 HE2 LYS A 112 103.521 9.463 16.262 1.00 0.00 H new ATOM 0 HE3 LYS A 112 103.764 9.748 14.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 102.027 8.012 15.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 103.078 7.604 14.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 103.352 6.991 15.561 1.00 0.00 H new ATOM 1794 N ASP A 113 109.764 7.787 13.198 1.00 0.00 N ATOM 1795 CA ASP A 113 111.060 7.390 12.575 1.00 0.00 C ATOM 1796 C ASP A 113 111.536 6.044 13.133 1.00 0.00 C ATOM 1797 O ASP A 113 112.138 5.971 14.186 1.00 0.00 O ATOM 1798 CB ASP A 113 112.096 8.477 12.876 1.00 0.00 C ATOM 1799 CG ASP A 113 112.472 8.443 14.359 1.00 0.00 C ATOM 1800 OD1 ASP A 113 111.636 8.805 15.171 1.00 0.00 O ATOM 1801 OD2 ASP A 113 113.590 8.055 14.658 1.00 0.00 O ATOM 0 H ASP A 113 109.138 8.314 12.589 1.00 0.00 H new ATOM 0 HA ASP A 113 110.930 7.282 11.498 1.00 0.00 H new ATOM 0 HB2 ASP A 113 112.984 8.324 12.263 1.00 0.00 H new ATOM 0 HB3 ASP A 113 111.694 9.456 12.616 1.00 0.00 H new ATOM 1806 N SER A 114 111.274 4.976 12.435 1.00 0.00 N ATOM 1807 CA SER A 114 111.716 3.647 12.938 1.00 0.00 C ATOM 1808 C SER A 114 113.193 3.722 13.332 1.00 0.00 C ATOM 1809 O SER A 114 113.646 3.021 14.215 1.00 0.00 O ATOM 1810 CB SER A 114 111.503 2.585 11.851 1.00 0.00 C ATOM 1811 OG SER A 114 110.414 1.750 12.223 1.00 0.00 O ATOM 0 H SER A 114 110.777 4.965 11.545 1.00 0.00 H new ATOM 0 HA SER A 114 111.129 3.370 13.813 1.00 0.00 H new ATOM 0 HB2 SER A 114 111.300 3.063 10.893 1.00 0.00 H new ATOM 0 HB3 SER A 114 112.407 1.990 11.725 1.00 0.00 H new ATOM 0 HG SER A 114 110.272 1.070 11.531 1.00 0.00 H new ATOM 1817 N GLN A 115 113.941 4.578 12.693 1.00 0.00 N ATOM 1818 CA GLN A 115 115.384 4.717 13.032 1.00 0.00 C ATOM 1819 C GLN A 115 115.823 6.158 12.774 1.00 0.00 C ATOM 1820 O GLN A 115 116.374 6.808 13.637 1.00 0.00 O ATOM 1821 CB GLN A 115 116.218 3.777 12.156 1.00 0.00 C ATOM 1822 CG GLN A 115 115.553 2.403 12.091 1.00 0.00 C ATOM 1823 CD GLN A 115 116.469 1.426 11.352 1.00 0.00 C ATOM 1824 OE1 GLN A 115 116.306 1.197 10.170 1.00 0.00 O ATOM 1825 NE2 GLN A 115 117.434 0.836 12.003 1.00 0.00 N ATOM 0 H GLN A 115 113.612 5.190 11.946 1.00 0.00 H new ATOM 0 HA GLN A 115 115.533 4.461 14.081 1.00 0.00 H new ATOM 0 HB2 GLN A 115 116.316 4.192 11.153 1.00 0.00 H new ATOM 0 HB3 GLN A 115 117.225 3.685 12.562 1.00 0.00 H new ATOM 0 HG2 GLN A 115 115.351 2.037 13.098 1.00 0.00 H new ATOM 0 HG3 GLN A 115 114.593 2.476 11.579 1.00 0.00 H new ATOM 0 HE21 GLN A 115 117.571 1.028 12.995 1.00 0.00 H new ATOM 0 HE22 GLN A 115 118.051 0.183 11.519 1.00 0.00 H new ATOM 1834 N GLN A 116 115.581 6.654 11.585 1.00 0.00 N ATOM 1835 CA GLN A 116 115.984 8.058 11.240 1.00 0.00 C ATOM 1836 C GLN A 116 116.074 8.213 9.716 1.00 0.00 C ATOM 1837 O GLN A 116 116.093 9.311 9.200 1.00 0.00 O ATOM 1838 CB GLN A 116 117.365 8.371 11.831 1.00 0.00 C ATOM 1839 CG GLN A 116 118.326 7.210 11.532 1.00 0.00 C ATOM 1840 CD GLN A 116 119.758 7.740 11.431 1.00 0.00 C ATOM 1841 OE1 GLN A 116 120.211 8.470 12.291 1.00 0.00 O ATOM 1842 NE2 GLN A 116 120.496 7.402 10.409 1.00 0.00 N ATOM 0 H GLN A 116 115.118 6.145 10.832 1.00 0.00 H new ATOM 0 HA GLN A 116 115.238 8.740 11.649 1.00 0.00 H new ATOM 0 HB2 GLN A 116 117.753 9.297 11.406 1.00 0.00 H new ATOM 0 HB3 GLN A 116 117.286 8.523 12.907 1.00 0.00 H new ATOM 0 HG2 GLN A 116 118.260 6.459 12.319 1.00 0.00 H new ATOM 0 HG3 GLN A 116 118.042 6.721 10.600 1.00 0.00 H new ATOM 0 HE21 GLN A 116 120.117 6.790 9.687 1.00 0.00 H new ATOM 0 HE22 GLN A 116 121.452 7.750 10.333 1.00 0.00 H new ATOM 1851 N PHE A 117 116.149 7.114 9.008 1.00 0.00 N ATOM 1852 CA PHE A 117 116.262 7.138 7.510 1.00 0.00 C ATOM 1853 C PHE A 117 116.512 8.551 6.974 1.00 0.00 C ATOM 1854 O PHE A 117 117.608 8.869 6.565 1.00 0.00 O ATOM 1855 CB PHE A 117 114.977 6.596 6.891 1.00 0.00 C ATOM 1856 CG PHE A 117 114.531 5.379 7.658 1.00 0.00 C ATOM 1857 CD1 PHE A 117 113.887 5.528 8.889 1.00 0.00 C ATOM 1858 CD2 PHE A 117 114.761 4.102 7.137 1.00 0.00 C ATOM 1859 CE1 PHE A 117 113.472 4.401 9.601 1.00 0.00 C ATOM 1860 CE2 PHE A 117 114.346 2.973 7.849 1.00 0.00 C ATOM 1861 CZ PHE A 117 113.700 3.121 9.081 1.00 0.00 C ATOM 0 H PHE A 117 116.137 6.178 9.412 1.00 0.00 H new ATOM 0 HA PHE A 117 117.114 6.515 7.237 1.00 0.00 H new ATOM 0 HB2 PHE A 117 114.199 7.359 6.913 1.00 0.00 H new ATOM 0 HB3 PHE A 117 115.143 6.340 5.845 1.00 0.00 H new ATOM 0 HD1 PHE A 117 113.710 6.515 9.290 1.00 0.00 H new ATOM 0 HD2 PHE A 117 115.259 3.988 6.185 1.00 0.00 H new ATOM 0 HE1 PHE A 117 112.975 4.516 10.553 1.00 0.00 H new ATOM 0 HE2 PHE A 117 114.524 1.986 7.448 1.00 0.00 H new ATOM 0 HZ PHE A 117 113.377 2.249 9.630 1.00 0.00 H new ATOM 1871 N HIS A 118 115.488 9.376 6.940 1.00 0.00 N ATOM 1872 CA HIS A 118 115.622 10.772 6.392 1.00 0.00 C ATOM 1873 C HIS A 118 115.036 10.767 4.984 1.00 0.00 C ATOM 1874 O HIS A 118 115.277 11.648 4.184 1.00 0.00 O ATOM 1875 CB HIS A 118 117.089 11.221 6.337 1.00 0.00 C ATOM 1876 CG HIS A 118 117.147 12.715 6.165 1.00 0.00 C ATOM 1877 ND1 HIS A 118 117.578 13.308 4.986 1.00 0.00 N ATOM 1878 CD2 HIS A 118 116.833 13.749 7.013 1.00 0.00 C ATOM 1879 CE1 HIS A 118 117.511 14.642 5.155 1.00 0.00 C ATOM 1880 NE2 HIS A 118 117.064 14.960 6.371 1.00 0.00 N ATOM 0 H HIS A 118 114.553 9.140 7.272 1.00 0.00 H new ATOM 0 HA HIS A 118 115.095 11.470 7.043 1.00 0.00 H new ATOM 0 HB2 HIS A 118 117.605 10.929 7.251 1.00 0.00 H new ATOM 0 HB3 HIS A 118 117.601 10.728 5.511 1.00 0.00 H new ATOM 0 HD2 HIS A 118 116.464 13.638 8.022 1.00 0.00 H new ATOM 0 HE1 HIS A 118 117.785 15.364 4.400 1.00 0.00 H new ATOM 0 HE2 HIS A 118 116.922 15.896 6.750 1.00 0.00 H new ATOM 1889 N LEU A 119 114.268 9.752 4.698 1.00 0.00 N ATOM 1890 CA LEU A 119 113.630 9.597 3.354 1.00 0.00 C ATOM 1891 C LEU A 119 112.852 8.283 3.370 1.00 0.00 C ATOM 1892 O LEU A 119 112.774 7.562 2.402 1.00 0.00 O ATOM 1893 CB LEU A 119 114.718 9.591 2.253 1.00 0.00 C ATOM 1894 CG LEU A 119 115.476 8.231 2.115 1.00 0.00 C ATOM 1895 CD1 LEU A 119 115.342 7.340 3.362 1.00 0.00 C ATOM 1896 CD2 LEU A 119 114.973 7.454 0.885 1.00 0.00 C ATOM 0 H LEU A 119 114.049 9.003 5.355 1.00 0.00 H new ATOM 0 HA LEU A 119 112.955 10.425 3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 119 114.254 9.835 1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 119 115.441 10.378 2.467 1.00 0.00 H new ATOM 0 HG LEU A 119 116.530 8.482 1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 119 115.889 6.410 3.206 1.00 0.00 H new ATOM 0 HD12 LEU A 119 115.752 7.861 4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 119 114.290 7.116 3.538 1.00 0.00 H new ATOM 0 HD21 LEU A 119 115.512 6.510 0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 119 113.907 7.255 0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 119 115.143 8.046 -0.014 1.00 0.00 H new ATOM 1908 N VAL A 120 112.308 7.971 4.507 1.00 0.00 N ATOM 1909 CA VAL A 120 111.555 6.700 4.695 1.00 0.00 C ATOM 1910 C VAL A 120 110.746 6.331 3.440 1.00 0.00 C ATOM 1911 O VAL A 120 110.367 7.189 2.670 1.00 0.00 O ATOM 1912 CB VAL A 120 110.632 6.892 5.900 1.00 0.00 C ATOM 1913 CG1 VAL A 120 111.492 7.261 7.114 1.00 0.00 C ATOM 1914 CG2 VAL A 120 109.629 8.028 5.627 1.00 0.00 C ATOM 0 H VAL A 120 112.354 8.559 5.339 1.00 0.00 H new ATOM 0 HA VAL A 120 112.249 5.877 4.867 1.00 0.00 H new ATOM 0 HB VAL A 120 110.079 5.972 6.087 1.00 0.00 H new ATOM 0 HG11 VAL A 120 110.851 7.402 7.984 1.00 0.00 H new ATOM 0 HG12 VAL A 120 112.203 6.459 7.313 1.00 0.00 H new ATOM 0 HG13 VAL A 120 112.034 8.184 6.909 1.00 0.00 H new ATOM 0 HG21 VAL A 120 108.978 8.154 6.492 1.00 0.00 H new ATOM 0 HG22 VAL A 120 110.171 8.955 5.442 1.00 0.00 H new ATOM 0 HG23 VAL A 120 109.027 7.779 4.753 1.00 0.00 H new ATOM 1924 N PRO A 121 110.470 5.056 3.243 1.00 0.00 N ATOM 1925 CA PRO A 121 109.679 4.577 2.076 1.00 0.00 C ATOM 1926 C PRO A 121 108.205 4.861 2.320 1.00 0.00 C ATOM 1927 O PRO A 121 107.521 4.130 3.009 1.00 0.00 O ATOM 1928 CB PRO A 121 109.957 3.075 2.036 1.00 0.00 C ATOM 1929 CG PRO A 121 110.245 2.701 3.452 1.00 0.00 C ATOM 1930 CD PRO A 121 110.872 3.934 4.111 1.00 0.00 C ATOM 0 HA PRO A 121 109.941 5.063 1.136 1.00 0.00 H new ATOM 0 HB2 PRO A 121 109.100 2.525 1.648 1.00 0.00 H new ATOM 0 HB3 PRO A 121 110.802 2.847 1.387 1.00 0.00 H new ATOM 0 HG2 PRO A 121 109.331 2.408 3.969 1.00 0.00 H new ATOM 0 HG3 PRO A 121 110.924 1.850 3.498 1.00 0.00 H new ATOM 0 HD2 PRO A 121 110.508 4.069 5.129 1.00 0.00 H new ATOM 0 HD3 PRO A 121 111.957 3.845 4.169 1.00 0.00 H new ATOM 1938 N VAL A 122 107.735 5.959 1.819 1.00 0.00 N ATOM 1939 CA VAL A 122 106.331 6.356 2.078 1.00 0.00 C ATOM 1940 C VAL A 122 105.372 5.867 0.989 1.00 0.00 C ATOM 1941 O VAL A 122 104.652 4.912 1.180 1.00 0.00 O ATOM 1942 CB VAL A 122 106.289 7.892 2.210 1.00 0.00 C ATOM 1943 CG1 VAL A 122 107.530 8.490 1.558 1.00 0.00 C ATOM 1944 CG2 VAL A 122 105.057 8.478 1.526 1.00 0.00 C ATOM 0 H VAL A 122 108.267 6.605 1.236 1.00 0.00 H new ATOM 0 HA VAL A 122 105.992 5.885 3.001 1.00 0.00 H new ATOM 0 HB VAL A 122 106.251 8.135 3.272 1.00 0.00 H new ATOM 0 HG11 VAL A 122 107.502 9.576 1.650 1.00 0.00 H new ATOM 0 HG12 VAL A 122 108.422 8.106 2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 122 107.555 8.216 0.503 1.00 0.00 H new ATOM 0 HG21 VAL A 122 105.059 9.562 1.639 1.00 0.00 H new ATOM 0 HG22 VAL A 122 105.073 8.223 0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 122 104.157 8.068 1.984 1.00 0.00 H new ATOM 1954 N HIS A 123 105.297 6.548 -0.115 1.00 0.00 N ATOM 1955 CA HIS A 123 104.307 6.154 -1.156 1.00 0.00 C ATOM 1956 C HIS A 123 104.889 5.194 -2.184 1.00 0.00 C ATOM 1957 O HIS A 123 106.073 4.934 -2.236 1.00 0.00 O ATOM 1958 CB HIS A 123 103.820 7.414 -1.875 1.00 0.00 C ATOM 1959 CG HIS A 123 102.563 7.104 -2.641 1.00 0.00 C ATOM 1960 ND1 HIS A 123 102.588 6.529 -3.904 1.00 0.00 N ATOM 1961 CD2 HIS A 123 101.235 7.285 -2.337 1.00 0.00 C ATOM 1962 CE1 HIS A 123 101.312 6.385 -4.310 1.00 0.00 C ATOM 1963 NE2 HIS A 123 100.453 6.830 -3.392 1.00 0.00 N ATOM 0 H HIS A 123 105.874 7.357 -0.344 1.00 0.00 H new ATOM 0 HA HIS A 123 103.487 5.640 -0.654 1.00 0.00 H new ATOM 0 HB2 HIS A 123 103.631 8.207 -1.152 1.00 0.00 H new ATOM 0 HB3 HIS A 123 104.591 7.779 -2.554 1.00 0.00 H new ATOM 0 HD2 HIS A 123 100.858 7.714 -1.421 1.00 0.00 H new ATOM 0 HE1 HIS A 123 101.021 5.962 -5.260 1.00 0.00 H new ATOM 0 HE2 HIS A 123 99.435 6.835 -3.452 1.00 0.00 H new ATOM 1972 N LEU A 124 104.026 4.692 -3.020 1.00 0.00 N ATOM 1973 CA LEU A 124 104.432 3.768 -4.105 1.00 0.00 C ATOM 1974 C LEU A 124 104.051 4.447 -5.420 1.00 0.00 C ATOM 1975 O LEU A 124 102.885 4.599 -5.727 1.00 0.00 O ATOM 1976 CB LEU A 124 103.676 2.446 -3.956 1.00 0.00 C ATOM 1977 CG LEU A 124 104.036 1.506 -5.128 1.00 0.00 C ATOM 1978 CD1 LEU A 124 104.759 0.259 -4.603 1.00 0.00 C ATOM 1979 CD2 LEU A 124 102.762 1.084 -5.874 1.00 0.00 C ATOM 0 H LEU A 124 103.026 4.892 -2.992 1.00 0.00 H new ATOM 0 HA LEU A 124 105.500 3.554 -4.073 1.00 0.00 H new ATOM 0 HB2 LEU A 124 103.932 1.975 -3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 124 102.602 2.630 -3.941 1.00 0.00 H new ATOM 0 HG LEU A 124 104.695 2.040 -5.813 1.00 0.00 H new ATOM 0 HD11 LEU A 124 105.008 -0.396 -5.438 1.00 0.00 H new ATOM 0 HD12 LEU A 124 105.674 0.557 -4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 124 104.110 -0.272 -3.906 1.00 0.00 H new ATOM 0 HD21 LEU A 124 103.026 0.422 -6.698 1.00 0.00 H new ATOM 0 HD22 LEU A 124 102.095 0.562 -5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 124 102.260 1.969 -6.266 1.00 0.00 H new ATOM 1991 N ASP A 125 105.007 4.894 -6.184 1.00 0.00 N ATOM 1992 CA ASP A 125 104.657 5.599 -7.446 1.00 0.00 C ATOM 1993 C ASP A 125 104.087 4.613 -8.464 1.00 0.00 C ATOM 1994 O ASP A 125 103.071 4.868 -9.078 1.00 0.00 O ATOM 1995 CB ASP A 125 105.908 6.278 -8.016 1.00 0.00 C ATOM 1996 CG ASP A 125 105.673 7.787 -8.117 1.00 0.00 C ATOM 1997 OD1 ASP A 125 105.215 8.362 -7.143 1.00 0.00 O ATOM 1998 OD2 ASP A 125 105.954 8.342 -9.166 1.00 0.00 O ATOM 0 H ASP A 125 106.005 4.803 -5.992 1.00 0.00 H new ATOM 0 HA ASP A 125 103.900 6.354 -7.234 1.00 0.00 H new ATOM 0 HB2 ASP A 125 106.767 6.076 -7.376 1.00 0.00 H new ATOM 0 HB3 ASP A 125 106.140 5.869 -9.000 1.00 0.00 H new ATOM 2003 N ARG A 126 104.730 3.499 -8.663 1.00 0.00 N ATOM 2004 CA ARG A 126 104.206 2.530 -9.661 1.00 0.00 C ATOM 2005 C ARG A 126 105.006 1.236 -9.620 1.00 0.00 C ATOM 2006 O ARG A 126 105.937 1.088 -8.858 1.00 0.00 O ATOM 2007 CB ARG A 126 104.319 3.131 -11.059 1.00 0.00 C ATOM 2008 CG ARG A 126 105.770 3.526 -11.345 1.00 0.00 C ATOM 2009 CD ARG A 126 105.807 4.571 -12.463 1.00 0.00 C ATOM 2010 NE ARG A 126 107.186 4.652 -13.023 1.00 0.00 N ATOM 2011 CZ ARG A 126 107.484 5.580 -13.890 1.00 0.00 C ATOM 2012 NH1 ARG A 126 106.576 6.437 -14.268 1.00 0.00 N ATOM 2013 NH2 ARG A 126 108.692 5.651 -14.381 1.00 0.00 N ATOM 0 H ARG A 126 105.586 3.219 -8.184 1.00 0.00 H new ATOM 0 HA ARG A 126 103.164 2.316 -9.423 1.00 0.00 H new ATOM 0 HB2 ARG A 126 103.977 2.411 -11.802 1.00 0.00 H new ATOM 0 HB3 ARG A 126 103.673 4.005 -11.141 1.00 0.00 H new ATOM 0 HG2 ARG A 126 106.233 3.927 -10.443 1.00 0.00 H new ATOM 0 HG3 ARG A 126 106.346 2.647 -11.635 1.00 0.00 H new ATOM 0 HD2 ARG A 126 105.099 4.304 -13.248 1.00 0.00 H new ATOM 0 HD3 ARG A 126 105.502 5.544 -12.076 1.00 0.00 H new ATOM 0 HE ARG A 126 107.896 3.982 -12.728 1.00 0.00 H new ATOM 0 HH11 ARG A 126 105.632 6.382 -13.886 1.00 0.00 H new ATOM 0 HH12 ARG A 126 106.810 7.162 -14.946 1.00 0.00 H new ATOM 0 HH21 ARG A 126 109.402 4.981 -14.087 1.00 0.00 H new ATOM 0 HH22 ARG A 126 108.925 6.377 -15.059 1.00 0.00 H new ATOM 2027 N VAL A 127 104.646 0.302 -10.453 1.00 0.00 N ATOM 2028 CA VAL A 127 105.374 -0.993 -10.503 1.00 0.00 C ATOM 2029 C VAL A 127 105.959 -1.156 -11.908 1.00 0.00 C ATOM 2030 O VAL A 127 105.302 -0.891 -12.895 1.00 0.00 O ATOM 2031 CB VAL A 127 104.409 -2.140 -10.184 1.00 0.00 C ATOM 2032 CG1 VAL A 127 105.134 -3.192 -9.342 1.00 0.00 C ATOM 2033 CG2 VAL A 127 103.224 -1.589 -9.387 1.00 0.00 C ATOM 0 H VAL A 127 103.869 0.382 -11.109 1.00 0.00 H new ATOM 0 HA VAL A 127 106.177 -1.011 -9.766 1.00 0.00 H new ATOM 0 HB VAL A 127 104.055 -2.592 -11.111 1.00 0.00 H new ATOM 0 HG11 VAL A 127 104.450 -4.009 -9.113 1.00 0.00 H new ATOM 0 HG12 VAL A 127 105.988 -3.578 -9.899 1.00 0.00 H new ATOM 0 HG13 VAL A 127 105.481 -2.739 -8.413 1.00 0.00 H new ATOM 0 HG21 VAL A 127 102.533 -2.399 -9.156 1.00 0.00 H new ATOM 0 HG22 VAL A 127 103.585 -1.144 -8.459 1.00 0.00 H new ATOM 0 HG23 VAL A 127 102.710 -0.830 -9.977 1.00 0.00 H new ATOM 2043 N LEU A 128 107.195 -1.562 -12.005 1.00 0.00 N ATOM 2044 CA LEU A 128 107.837 -1.713 -13.345 1.00 0.00 C ATOM 2045 C LEU A 128 108.466 -3.103 -13.460 1.00 0.00 C ATOM 2046 O LEU A 128 109.509 -3.311 -12.862 1.00 0.00 O ATOM 2047 CB LEU A 128 108.924 -0.635 -13.495 1.00 0.00 C ATOM 2048 CG LEU A 128 108.884 -0.042 -14.905 1.00 0.00 C ATOM 2049 CD1 LEU A 128 109.876 1.118 -14.999 1.00 0.00 C ATOM 2050 CD2 LEU A 128 109.266 -1.121 -15.918 1.00 0.00 C ATOM 2051 OXT LEU A 128 107.894 -3.935 -14.145 1.00 0.00 O ATOM 0 H LEU A 128 107.792 -1.797 -11.212 1.00 0.00 H new ATOM 0 HA LEU A 128 107.091 -1.597 -14.131 1.00 0.00 H new ATOM 0 HB2 LEU A 128 108.771 0.152 -12.756 1.00 0.00 H new ATOM 0 HB3 LEU A 128 109.906 -1.068 -13.302 1.00 0.00 H new ATOM 0 HG LEU A 128 107.879 0.322 -15.119 1.00 0.00 H new ATOM 0 HD11 LEU A 128 109.848 1.541 -16.003 1.00 0.00 H new ATOM 0 HD12 LEU A 128 109.607 1.886 -14.274 1.00 0.00 H new ATOM 0 HD13 LEU A 128 110.882 0.755 -14.786 1.00 0.00 H new ATOM 0 HD21 LEU A 128 109.238 -0.702 -16.924 1.00 0.00 H new ATOM 0 HD22 LEU A 128 110.272 -1.482 -15.703 1.00 0.00 H new ATOM 0 HD23 LEU A 128 108.561 -1.949 -15.851 1.00 0.00 H new