USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 885 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 85 SER OG : rot 29:sc= -0.456 USER MOD Set 1.2: A 88 ASN : amide:sc= -1.28 K(o=-1.7,f=-6.7!) USER MOD Set 2.1: A 78 SER OG : rot 180:sc= 0.0345 USER MOD Set 2.2: A 79 ASN : amide:sc= 0.0373 X(o=0.072,f=0) USER MOD Set 3.1: A 48 HIS : no HD1:sc= 0.745 K(o=0.54,f=-6.5!) USER MOD Set 3.2: A 52 TYR OH : rot -14:sc= -0.21! USER MOD Set 4.1: A 28 TYR OH : rot 30:sc= -0.255 USER MOD Set 4.2: A 46 GLN : amide:sc= -0.274 K(o=-0.53,f=-1.8!) USER MOD Set 5.1: A 24 ASN :FLIP amide:sc= -0.267 F(o=-3.2,f=-2.1) USER MOD Set 5.2: A 117 ASN :FLIP amide:sc= -1.79 F(o=-3.2!,f=-2.1) USER MOD Set 6.1: A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 107 SER OG : rot -65:sc= 0.0427 USER MOD Single : A 1 ALA N :NH3+ -131:sc= 0.0635 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -6.54! C(o=-6.5!,f=-6.4!) USER MOD Single : A 6 ASN : amide:sc= -0.261 K(o=-0.26,f=-3.3!) USER MOD Single : A 8 MET CE :methyl -167:sc= -4.29 (180deg=-4.95!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.111 USER MOD Single : A 16 SER OG : rot -90:sc= 0.542 USER MOD Single : A 23 ASN : amide:sc= -4.4! C(o=-4.4!,f=-7.1!) USER MOD Single : A 25 TYR OH : rot 150:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -1.1! USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 91:sc= 1.19 USER MOD Single : A 50 ASN : amide:sc= -0.131 K(o=-0.13,f=-2.8!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.272 X(o=-0.27,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -122:sc= -0.147 USER MOD Single : A 62 LYS NZ :NH3+ -129:sc= -0.0241 (180deg=-0.3) USER MOD Single : A 67 ASN : amide:sc= -0.0647 X(o=-0.065,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -60:sc= 1.15 USER MOD Single : A 71 ASN : amide:sc= -2.61! C(o=-2.6!,f=-3.6!) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot 0:sc= -1.42 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 99:sc= 1.08 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN :FLIP amide:sc= -0.721 F(o=-2.2!,f=-0.72) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -1.28 K(o=-1.3,f=-14!) USER MOD Single : A 97 ASN : amide:sc= -0.0121 K(o=-0.012,f=-2.6!) USER MOD Single : A 101 ASN : amide:sc= -0.0824 K(o=-0.082,f=-3.1!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 TYR OH : rot 71:sc= -0.703 USER MOD Single : A 112 ASN : amide:sc= -0.0141 X(o=-0.014,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 HIS : no HD1:sc= -0.0341 X(o=-0.034,f=0) USER MOD Single : A 116 LYS NZ :NH3+ -168:sc= 0.0672 (180deg=0.0178) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN :FLIP amide:sc= -0.126 F(o=-1.1,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 88.524 -5.656 -5.132 1.00 0.00 N ATOM 2 CA ALA A 1 87.138 -6.078 -4.776 1.00 0.00 C ATOM 3 C ALA A 1 86.367 -4.904 -4.169 1.00 0.00 C ATOM 4 O ALA A 1 86.933 -3.883 -3.835 1.00 0.00 O ATOM 5 CB ALA A 1 87.316 -7.192 -3.745 1.00 0.00 C ATOM 0 H1 ALA A 1 88.739 -5.955 -6.105 1.00 0.00 H new ATOM 0 H2 ALA A 1 88.600 -4.621 -5.063 1.00 0.00 H new ATOM 0 H3 ALA A 1 89.200 -6.097 -4.477 1.00 0.00 H new ATOM 0 HA ALA A 1 86.573 -6.413 -5.645 1.00 0.00 H new ATOM 0 HB1 ALA A 1 86.338 -7.557 -3.432 1.00 0.00 H new ATOM 0 HB2 ALA A 1 87.884 -8.010 -4.188 1.00 0.00 H new ATOM 0 HB3 ALA A 1 87.853 -6.804 -2.879 1.00 0.00 H new ATOM 13 N LEU A 2 85.077 -5.044 -4.022 1.00 0.00 N ATOM 14 CA LEU A 2 84.271 -3.938 -3.433 1.00 0.00 C ATOM 15 C LEU A 2 83.640 -4.393 -2.116 1.00 0.00 C ATOM 16 O LEU A 2 83.074 -3.606 -1.382 1.00 0.00 O ATOM 17 CB LEU A 2 83.191 -3.635 -4.472 1.00 0.00 C ATOM 18 CG LEU A 2 83.210 -2.143 -4.804 1.00 0.00 C ATOM 19 CD1 LEU A 2 83.150 -1.955 -6.320 1.00 0.00 C ATOM 20 CD2 LEU A 2 82.001 -1.463 -4.157 1.00 0.00 C ATOM 0 H LEU A 2 84.548 -5.876 -4.284 1.00 0.00 H new ATOM 0 HA LEU A 2 84.875 -3.059 -3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 2 83.364 -4.222 -5.374 1.00 0.00 H new ATOM 0 HB3 LEU A 2 82.212 -3.921 -4.089 1.00 0.00 H new ATOM 0 HG LEU A 2 84.128 -1.697 -4.420 1.00 0.00 H new ATOM 0 HD11 LEU A 2 83.164 -0.891 -6.555 1.00 0.00 H new ATOM 0 HD12 LEU A 2 84.011 -2.440 -6.781 1.00 0.00 H new ATOM 0 HD13 LEU A 2 82.233 -2.400 -6.706 1.00 0.00 H new ATOM 0 HD21 LEU A 2 82.013 -0.399 -4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 2 81.084 -1.910 -4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 2 82.044 -1.596 -3.076 1.00 0.00 H new ATOM 32 N TRP A 3 83.740 -5.656 -1.808 1.00 0.00 N ATOM 33 CA TRP A 3 83.154 -6.165 -0.533 1.00 0.00 C ATOM 34 C TRP A 3 84.264 -6.701 0.371 1.00 0.00 C ATOM 35 O TRP A 3 84.152 -6.693 1.581 1.00 0.00 O ATOM 36 CB TRP A 3 82.179 -7.289 -0.924 1.00 0.00 C ATOM 37 CG TRP A 3 82.633 -7.969 -2.179 1.00 0.00 C ATOM 38 CD1 TRP A 3 83.780 -8.673 -2.311 1.00 0.00 C ATOM 39 CD2 TRP A 3 81.973 -8.014 -3.478 1.00 0.00 C ATOM 40 NE1 TRP A 3 83.865 -9.150 -3.607 1.00 0.00 N ATOM 41 CE2 TRP A 3 82.775 -8.772 -4.363 1.00 0.00 C ATOM 42 CE3 TRP A 3 80.768 -7.480 -3.967 1.00 0.00 C ATOM 43 CZ2 TRP A 3 82.396 -8.989 -5.688 1.00 0.00 C ATOM 44 CZ3 TRP A 3 80.384 -7.697 -5.300 1.00 0.00 C ATOM 45 CH2 TRP A 3 81.197 -8.452 -6.159 1.00 0.00 C ATOM 0 H TRP A 3 84.202 -6.360 -2.384 1.00 0.00 H new ATOM 0 HA TRP A 3 82.638 -5.378 0.017 1.00 0.00 H new ATOM 0 HB2 TRP A 3 82.110 -8.016 -0.115 1.00 0.00 H new ATOM 0 HB3 TRP A 3 81.180 -6.877 -1.068 1.00 0.00 H new ATOM 0 HD1 TRP A 3 84.510 -8.836 -1.532 1.00 0.00 H new ATOM 0 HE1 TRP A 3 84.639 -9.712 -3.960 1.00 0.00 H new ATOM 0 HE3 TRP A 3 80.134 -6.899 -3.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 83.027 -9.569 -6.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 79.457 -7.280 -5.666 1.00 0.00 H new ATOM 0 HH2 TRP A 3 80.895 -8.617 -7.183 1.00 0.00 H new ATOM 56 N GLN A 4 85.344 -7.157 -0.205 1.00 0.00 N ATOM 57 CA GLN A 4 86.465 -7.680 0.626 1.00 0.00 C ATOM 58 C GLN A 4 87.219 -6.511 1.267 1.00 0.00 C ATOM 59 O GLN A 4 87.440 -6.480 2.461 1.00 0.00 O ATOM 60 CB GLN A 4 87.371 -8.433 -0.348 1.00 0.00 C ATOM 61 CG GLN A 4 86.912 -9.888 -0.455 1.00 0.00 C ATOM 62 CD GLN A 4 86.583 -10.215 -1.913 1.00 0.00 C ATOM 63 OE1 GLN A 4 85.568 -10.817 -2.199 1.00 0.00 O ATOM 64 NE2 GLN A 4 87.404 -9.838 -2.853 1.00 0.00 N ATOM 0 H GLN A 4 85.498 -7.190 -1.213 1.00 0.00 H new ATOM 0 HA GLN A 4 86.119 -8.326 1.433 1.00 0.00 H new ATOM 0 HB2 GLN A 4 87.341 -7.959 -1.329 1.00 0.00 H new ATOM 0 HB3 GLN A 4 88.405 -8.391 -0.005 1.00 0.00 H new ATOM 0 HG2 GLN A 4 87.693 -10.554 -0.089 1.00 0.00 H new ATOM 0 HG3 GLN A 4 86.035 -10.051 0.172 1.00 0.00 H new ATOM 0 HE21 GLN A 4 88.257 -9.332 -2.613 1.00 0.00 H new ATOM 0 HE22 GLN A 4 87.194 -10.049 -3.829 1.00 0.00 H new ATOM 73 N PHE A 5 87.609 -5.546 0.479 1.00 0.00 N ATOM 74 CA PHE A 5 88.340 -4.376 1.041 1.00 0.00 C ATOM 75 C PHE A 5 87.540 -3.771 2.199 1.00 0.00 C ATOM 76 O PHE A 5 88.041 -3.611 3.295 1.00 0.00 O ATOM 77 CB PHE A 5 88.446 -3.382 -0.118 1.00 0.00 C ATOM 78 CG PHE A 5 89.162 -2.137 0.348 1.00 0.00 C ATOM 79 CD1 PHE A 5 90.179 -2.231 1.305 1.00 0.00 C ATOM 80 CD2 PHE A 5 88.808 -0.888 -0.178 1.00 0.00 C ATOM 81 CE1 PHE A 5 90.842 -1.076 1.736 1.00 0.00 C ATOM 82 CE2 PHE A 5 89.471 0.266 0.253 1.00 0.00 C ATOM 83 CZ PHE A 5 90.489 0.173 1.211 1.00 0.00 C ATOM 0 H PHE A 5 87.453 -5.518 -0.529 1.00 0.00 H new ATOM 0 HA PHE A 5 89.320 -4.645 1.434 1.00 0.00 H new ATOM 0 HB2 PHE A 5 88.985 -3.834 -0.950 1.00 0.00 H new ATOM 0 HB3 PHE A 5 87.451 -3.127 -0.484 1.00 0.00 H new ATOM 0 HD1 PHE A 5 90.452 -3.194 1.711 1.00 0.00 H new ATOM 0 HD2 PHE A 5 88.023 -0.816 -0.916 1.00 0.00 H new ATOM 0 HE1 PHE A 5 91.627 -1.148 2.474 1.00 0.00 H new ATOM 0 HE2 PHE A 5 89.198 1.229 -0.153 1.00 0.00 H new ATOM 0 HZ PHE A 5 91.001 1.064 1.544 1.00 0.00 H new ATOM 93 N ASN A 6 86.298 -3.443 1.966 1.00 0.00 N ATOM 94 CA ASN A 6 85.467 -2.857 3.056 1.00 0.00 C ATOM 95 C ASN A 6 85.558 -3.732 4.308 1.00 0.00 C ATOM 96 O ASN A 6 85.710 -3.243 5.409 1.00 0.00 O ATOM 97 CB ASN A 6 84.039 -2.853 2.508 1.00 0.00 C ATOM 98 CG ASN A 6 83.335 -1.560 2.927 1.00 0.00 C ATOM 99 OD1 ASN A 6 83.972 -0.545 3.124 1.00 0.00 O ATOM 100 ND2 ASN A 6 82.038 -1.556 3.070 1.00 0.00 N ATOM 0 H ASN A 6 85.824 -3.555 1.070 1.00 0.00 H new ATOM 0 HA ASN A 6 85.796 -1.857 3.338 1.00 0.00 H new ATOM 0 HB2 ASN A 6 84.055 -2.935 1.421 1.00 0.00 H new ATOM 0 HB3 ASN A 6 83.491 -3.717 2.885 1.00 0.00 H new ATOM 0 HD21 ASN A 6 81.558 -0.700 3.347 1.00 0.00 H new ATOM 0 HD22 ASN A 6 81.504 -2.409 2.904 1.00 0.00 H new ATOM 107 N GLY A 7 85.473 -5.024 4.144 1.00 0.00 N ATOM 108 CA GLY A 7 85.562 -5.929 5.323 1.00 0.00 C ATOM 109 C GLY A 7 86.861 -5.644 6.077 1.00 0.00 C ATOM 110 O GLY A 7 86.891 -5.603 7.291 1.00 0.00 O ATOM 0 H GLY A 7 85.346 -5.491 3.246 1.00 0.00 H new ATOM 0 HA2 GLY A 7 84.705 -5.776 5.979 1.00 0.00 H new ATOM 0 HA3 GLY A 7 85.535 -6.970 5.001 1.00 0.00 H new ATOM 114 N MET A 8 87.935 -5.437 5.364 1.00 0.00 N ATOM 115 CA MET A 8 89.232 -5.145 6.038 1.00 0.00 C ATOM 116 C MET A 8 89.094 -3.893 6.903 1.00 0.00 C ATOM 117 O MET A 8 89.412 -3.897 8.076 1.00 0.00 O ATOM 118 CB MET A 8 90.226 -4.904 4.900 1.00 0.00 C ATOM 119 CG MET A 8 90.261 -6.130 3.985 1.00 0.00 C ATOM 120 SD MET A 8 91.949 -6.385 3.386 1.00 0.00 S ATOM 121 CE MET A 8 91.962 -8.191 3.505 1.00 0.00 C ATOM 0 H MET A 8 87.970 -5.457 4.345 1.00 0.00 H new ATOM 0 HA MET A 8 89.555 -5.955 6.692 1.00 0.00 H new ATOM 0 HB2 MET A 8 89.937 -4.020 4.331 1.00 0.00 H new ATOM 0 HB3 MET A 8 91.219 -4.711 5.305 1.00 0.00 H new ATOM 0 HG2 MET A 8 89.919 -7.012 4.527 1.00 0.00 H new ATOM 0 HG3 MET A 8 89.582 -5.989 3.144 1.00 0.00 H new ATOM 0 HE1 MET A 8 92.984 -8.555 3.403 1.00 0.00 H new ATOM 0 HE2 MET A 8 91.563 -8.495 4.473 1.00 0.00 H new ATOM 0 HE3 MET A 8 91.346 -8.612 2.711 1.00 0.00 H new ATOM 131 N ILE A 9 88.614 -2.820 6.335 1.00 0.00 N ATOM 132 CA ILE A 9 88.446 -1.572 7.129 1.00 0.00 C ATOM 133 C ILE A 9 87.510 -1.835 8.310 1.00 0.00 C ATOM 134 O ILE A 9 87.564 -1.165 9.321 1.00 0.00 O ATOM 135 CB ILE A 9 87.824 -0.565 6.162 1.00 0.00 C ATOM 136 CG1 ILE A 9 88.770 -0.345 4.979 1.00 0.00 C ATOM 137 CG2 ILE A 9 87.595 0.763 6.885 1.00 0.00 C ATOM 138 CD1 ILE A 9 88.043 0.435 3.881 1.00 0.00 C ATOM 0 H ILE A 9 88.332 -2.755 5.357 1.00 0.00 H new ATOM 0 HA ILE A 9 89.388 -1.207 7.539 1.00 0.00 H new ATOM 0 HB ILE A 9 86.871 -0.950 5.800 1.00 0.00 H new ATOM 0 HG12 ILE A 9 89.654 0.203 5.304 1.00 0.00 H new ATOM 0 HG13 ILE A 9 89.114 -1.304 4.592 1.00 0.00 H new ATOM 0 HG21 ILE A 9 87.151 1.481 6.195 1.00 0.00 H new ATOM 0 HG22 ILE A 9 86.922 0.607 7.728 1.00 0.00 H new ATOM 0 HG23 ILE A 9 88.548 1.149 7.247 1.00 0.00 H new ATOM 0 HD11 ILE A 9 88.717 0.591 3.039 1.00 0.00 H new ATOM 0 HD12 ILE A 9 87.172 -0.130 3.549 1.00 0.00 H new ATOM 0 HD13 ILE A 9 87.721 1.400 4.272 1.00 0.00 H new ATOM 150 N LYS A 10 86.657 -2.816 8.188 1.00 0.00 N ATOM 151 CA LYS A 10 85.722 -3.132 9.304 1.00 0.00 C ATOM 152 C LYS A 10 86.430 -4.002 10.346 1.00 0.00 C ATOM 153 O LYS A 10 86.134 -3.942 11.522 1.00 0.00 O ATOM 154 CB LYS A 10 84.572 -3.905 8.653 1.00 0.00 C ATOM 155 CG LYS A 10 83.501 -2.924 8.168 1.00 0.00 C ATOM 156 CD LYS A 10 82.921 -2.162 9.362 1.00 0.00 C ATOM 157 CE LYS A 10 82.561 -3.149 10.475 1.00 0.00 C ATOM 158 NZ LYS A 10 81.970 -2.308 11.553 1.00 0.00 N ATOM 0 H LYS A 10 86.568 -3.411 7.365 1.00 0.00 H new ATOM 0 HA LYS A 10 85.370 -2.237 9.817 1.00 0.00 H new ATOM 0 HB2 LYS A 10 84.945 -4.494 7.815 1.00 0.00 H new ATOM 0 HB3 LYS A 10 84.141 -4.605 9.368 1.00 0.00 H new ATOM 0 HG2 LYS A 10 83.932 -2.224 7.452 1.00 0.00 H new ATOM 0 HG3 LYS A 10 82.709 -3.463 7.649 1.00 0.00 H new ATOM 0 HD2 LYS A 10 83.645 -1.434 9.728 1.00 0.00 H new ATOM 0 HD3 LYS A 10 82.036 -1.605 9.056 1.00 0.00 H new ATOM 0 HE2 LYS A 10 81.852 -3.899 10.125 1.00 0.00 H new ATOM 0 HE3 LYS A 10 83.442 -3.684 10.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 81.697 -2.912 12.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 82.670 -1.608 11.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 81.130 -1.816 11.188 1.00 0.00 H new ATOM 172 N CYS A 11 87.365 -4.810 9.921 1.00 0.00 N ATOM 173 CA CYS A 11 88.091 -5.678 10.880 1.00 0.00 C ATOM 174 C CYS A 11 88.954 -4.822 11.805 1.00 0.00 C ATOM 175 O CYS A 11 88.884 -4.925 13.012 1.00 0.00 O ATOM 176 CB CYS A 11 88.971 -6.574 10.012 1.00 0.00 C ATOM 177 SG CYS A 11 89.899 -7.710 11.071 1.00 0.00 S ATOM 0 H CYS A 11 87.654 -4.903 8.947 1.00 0.00 H new ATOM 0 HA CYS A 11 87.416 -6.256 11.511 1.00 0.00 H new ATOM 0 HB2 CYS A 11 88.356 -7.135 9.309 1.00 0.00 H new ATOM 0 HB3 CYS A 11 89.657 -5.967 9.422 1.00 0.00 H new ATOM 182 N LYS A 12 89.769 -3.981 11.237 1.00 0.00 N ATOM 183 CA LYS A 12 90.648 -3.110 12.068 1.00 0.00 C ATOM 184 C LYS A 12 89.804 -2.112 12.866 1.00 0.00 C ATOM 185 O LYS A 12 90.105 -1.799 14.001 1.00 0.00 O ATOM 186 CB LYS A 12 91.537 -2.378 11.064 1.00 0.00 C ATOM 187 CG LYS A 12 92.700 -3.283 10.657 1.00 0.00 C ATOM 188 CD LYS A 12 93.999 -2.742 11.254 1.00 0.00 C ATOM 189 CE LYS A 12 94.161 -3.261 12.684 1.00 0.00 C ATOM 190 NZ LYS A 12 95.218 -2.402 13.286 1.00 0.00 N ATOM 0 H LYS A 12 89.866 -3.857 10.229 1.00 0.00 H new ATOM 0 HA LYS A 12 91.231 -3.680 12.791 1.00 0.00 H new ATOM 0 HB2 LYS A 12 90.956 -2.097 10.185 1.00 0.00 H new ATOM 0 HB3 LYS A 12 91.917 -1.456 11.503 1.00 0.00 H new ATOM 0 HG2 LYS A 12 92.523 -4.300 11.006 1.00 0.00 H new ATOM 0 HG3 LYS A 12 92.777 -3.328 9.571 1.00 0.00 H new ATOM 0 HD2 LYS A 12 94.848 -3.053 10.645 1.00 0.00 H new ATOM 0 HD3 LYS A 12 93.986 -1.652 11.251 1.00 0.00 H new ATOM 0 HE2 LYS A 12 93.226 -3.186 13.240 1.00 0.00 H new ATOM 0 HE3 LYS A 12 94.453 -4.311 12.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 95.387 -2.697 14.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 96.098 -2.500 12.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 94.909 -1.409 13.270 1.00 0.00 H new ATOM 204 N ILE A 13 88.751 -1.607 12.283 1.00 0.00 N ATOM 205 CA ILE A 13 87.891 -0.630 13.011 1.00 0.00 C ATOM 206 C ILE A 13 86.435 -1.101 13.007 1.00 0.00 C ATOM 207 O ILE A 13 85.634 -0.646 12.214 1.00 0.00 O ATOM 208 CB ILE A 13 88.037 0.680 12.235 1.00 0.00 C ATOM 209 CG1 ILE A 13 89.503 1.122 12.251 1.00 0.00 C ATOM 210 CG2 ILE A 13 87.175 1.761 12.889 1.00 0.00 C ATOM 211 CD1 ILE A 13 89.722 2.204 11.194 1.00 0.00 C ATOM 0 H ILE A 13 88.449 -1.828 11.334 1.00 0.00 H new ATOM 0 HA ILE A 13 88.183 -0.519 14.055 1.00 0.00 H new ATOM 0 HB ILE A 13 87.712 0.529 11.206 1.00 0.00 H new ATOM 0 HG12 ILE A 13 89.768 1.503 13.237 1.00 0.00 H new ATOM 0 HG13 ILE A 13 90.153 0.269 12.054 1.00 0.00 H new ATOM 0 HG21 ILE A 13 87.280 2.694 12.335 1.00 0.00 H new ATOM 0 HG22 ILE A 13 86.131 1.449 12.880 1.00 0.00 H new ATOM 0 HG23 ILE A 13 87.499 1.912 13.919 1.00 0.00 H new ATOM 0 HD11 ILE A 13 90.766 2.518 11.206 1.00 0.00 H new ATOM 0 HD12 ILE A 13 89.474 1.807 10.210 1.00 0.00 H new ATOM 0 HD13 ILE A 13 89.083 3.060 11.412 1.00 0.00 H new ATOM 223 N PRO A 14 86.145 -2.005 13.901 1.00 0.00 N ATOM 224 CA PRO A 14 84.774 -2.557 14.013 1.00 0.00 C ATOM 225 C PRO A 14 83.848 -1.552 14.705 1.00 0.00 C ATOM 226 O PRO A 14 82.649 -1.564 14.513 1.00 0.00 O ATOM 227 CB PRO A 14 84.959 -3.803 14.874 1.00 0.00 C ATOM 228 CG PRO A 14 86.198 -3.547 15.674 1.00 0.00 C ATOM 229 CD PRO A 14 87.060 -2.594 14.883 1.00 0.00 C ATOM 0 HA PRO A 14 84.320 -2.775 13.046 1.00 0.00 H new ATOM 0 HB2 PRO A 14 84.098 -3.965 15.523 1.00 0.00 H new ATOM 0 HB3 PRO A 14 85.066 -4.695 14.257 1.00 0.00 H new ATOM 0 HG2 PRO A 14 85.946 -3.120 16.645 1.00 0.00 H new ATOM 0 HG3 PRO A 14 86.731 -4.479 15.864 1.00 0.00 H new ATOM 0 HD2 PRO A 14 87.500 -1.830 15.524 1.00 0.00 H new ATOM 0 HD3 PRO A 14 87.884 -3.115 14.396 1.00 0.00 H new ATOM 237 N SER A 15 84.397 -0.687 15.514 1.00 0.00 N ATOM 238 CA SER A 15 83.548 0.315 16.224 1.00 0.00 C ATOM 239 C SER A 15 83.019 1.362 15.241 1.00 0.00 C ATOM 240 O SER A 15 81.907 1.836 15.365 1.00 0.00 O ATOM 241 CB SER A 15 84.476 0.964 17.249 1.00 0.00 C ATOM 242 OG SER A 15 85.371 1.843 16.581 1.00 0.00 O ATOM 0 H SER A 15 85.395 -0.630 15.715 1.00 0.00 H new ATOM 0 HA SER A 15 82.677 -0.144 16.692 1.00 0.00 H new ATOM 0 HB2 SER A 15 83.893 1.513 17.988 1.00 0.00 H new ATOM 0 HB3 SER A 15 85.034 0.198 17.788 1.00 0.00 H new ATOM 0 HG SER A 15 85.967 2.263 17.236 1.00 0.00 H new ATOM 248 N SER A 16 83.806 1.733 14.268 1.00 0.00 N ATOM 249 CA SER A 16 83.342 2.755 13.284 1.00 0.00 C ATOM 250 C SER A 16 82.925 2.084 11.973 1.00 0.00 C ATOM 251 O SER A 16 83.304 0.965 11.688 1.00 0.00 O ATOM 252 CB SER A 16 84.549 3.666 13.063 1.00 0.00 C ATOM 253 OG SER A 16 84.265 4.956 13.587 1.00 0.00 O ATOM 0 H SER A 16 84.748 1.374 14.111 1.00 0.00 H new ATOM 0 HA SER A 16 82.474 3.308 13.643 1.00 0.00 H new ATOM 0 HB2 SER A 16 85.429 3.248 13.552 1.00 0.00 H new ATOM 0 HB3 SER A 16 84.777 3.735 11.999 1.00 0.00 H new ATOM 0 HG SER A 16 83.858 5.510 12.889 1.00 0.00 H new ATOM 259 N GLU A 17 82.146 2.759 11.172 1.00 0.00 N ATOM 260 CA GLU A 17 81.705 2.160 9.879 1.00 0.00 C ATOM 261 C GLU A 17 82.423 2.839 8.710 1.00 0.00 C ATOM 262 O GLU A 17 82.658 4.031 8.734 1.00 0.00 O ATOM 263 CB GLU A 17 80.201 2.429 9.810 1.00 0.00 C ATOM 264 CG GLU A 17 79.460 1.436 10.708 1.00 0.00 C ATOM 265 CD GLU A 17 78.947 0.267 9.865 1.00 0.00 C ATOM 266 OE1 GLU A 17 79.725 -0.266 9.091 1.00 0.00 O ATOM 267 OE2 GLU A 17 77.783 -0.074 10.007 1.00 0.00 O ATOM 0 H GLU A 17 81.796 3.699 11.357 1.00 0.00 H new ATOM 0 HA GLU A 17 81.933 1.096 9.819 1.00 0.00 H new ATOM 0 HB2 GLU A 17 79.989 3.450 10.127 1.00 0.00 H new ATOM 0 HB3 GLU A 17 79.851 2.336 8.782 1.00 0.00 H new ATOM 0 HG2 GLU A 17 80.126 1.070 11.489 1.00 0.00 H new ATOM 0 HG3 GLU A 17 78.627 1.932 11.206 1.00 0.00 H new ATOM 274 N PRO A 18 82.746 2.050 7.721 1.00 0.00 N ATOM 275 CA PRO A 18 83.445 2.575 6.524 1.00 0.00 C ATOM 276 C PRO A 18 82.470 3.366 5.645 1.00 0.00 C ATOM 277 O PRO A 18 82.810 4.394 5.094 1.00 0.00 O ATOM 278 CB PRO A 18 83.926 1.317 5.810 1.00 0.00 C ATOM 279 CG PRO A 18 82.996 0.234 6.254 1.00 0.00 C ATOM 280 CD PRO A 18 82.495 0.608 7.627 1.00 0.00 C ATOM 0 HA PRO A 18 84.260 3.257 6.765 1.00 0.00 H new ATOM 0 HB2 PRO A 18 83.896 1.443 4.728 1.00 0.00 H new ATOM 0 HB3 PRO A 18 84.957 1.084 6.075 1.00 0.00 H new ATOM 0 HG2 PRO A 18 82.165 0.131 5.556 1.00 0.00 H new ATOM 0 HG3 PRO A 18 83.510 -0.727 6.281 1.00 0.00 H new ATOM 0 HD2 PRO A 18 81.435 0.380 7.740 1.00 0.00 H new ATOM 0 HD3 PRO A 18 83.024 0.060 8.407 1.00 0.00 H new ATOM 288 N LEU A 19 81.261 2.894 5.514 1.00 0.00 N ATOM 289 CA LEU A 19 80.264 3.618 4.674 1.00 0.00 C ATOM 290 C LEU A 19 79.708 4.823 5.437 1.00 0.00 C ATOM 291 O LEU A 19 78.927 5.593 4.916 1.00 0.00 O ATOM 292 CB LEU A 19 79.157 2.600 4.404 1.00 0.00 C ATOM 293 CG LEU A 19 79.714 1.446 3.569 1.00 0.00 C ATOM 294 CD1 LEU A 19 78.612 0.413 3.325 1.00 0.00 C ATOM 295 CD2 LEU A 19 80.214 1.985 2.226 1.00 0.00 C ATOM 0 H LEU A 19 80.920 2.038 5.952 1.00 0.00 H new ATOM 0 HA LEU A 19 80.701 3.998 3.751 1.00 0.00 H new ATOM 0 HB2 LEU A 19 78.759 2.222 5.346 1.00 0.00 H new ATOM 0 HB3 LEU A 19 78.331 3.077 3.878 1.00 0.00 H new ATOM 0 HG LEU A 19 80.540 0.976 4.104 1.00 0.00 H new ATOM 0 HD11 LEU A 19 79.009 -0.409 2.730 1.00 0.00 H new ATOM 0 HD12 LEU A 19 78.255 0.030 4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 19 77.786 0.882 2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 19 80.611 1.164 1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 19 79.388 2.455 1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 19 80.999 2.721 2.399 1.00 0.00 H new ATOM 307 N LEU A 20 80.106 4.992 6.667 1.00 0.00 N ATOM 308 CA LEU A 20 79.600 6.149 7.459 1.00 0.00 C ATOM 309 C LEU A 20 80.749 7.101 7.798 1.00 0.00 C ATOM 310 O LEU A 20 80.536 8.223 8.210 1.00 0.00 O ATOM 311 CB LEU A 20 79.019 5.534 8.733 1.00 0.00 C ATOM 312 CG LEU A 20 78.126 4.348 8.368 1.00 0.00 C ATOM 313 CD1 LEU A 20 77.500 3.771 9.638 1.00 0.00 C ATOM 314 CD2 LEU A 20 77.016 4.819 7.426 1.00 0.00 C ATOM 0 H LEU A 20 80.758 4.381 7.158 1.00 0.00 H new ATOM 0 HA LEU A 20 78.858 6.730 6.912 1.00 0.00 H new ATOM 0 HB2 LEU A 20 79.824 5.207 9.391 1.00 0.00 H new ATOM 0 HB3 LEU A 20 78.444 6.281 9.280 1.00 0.00 H new ATOM 0 HG LEU A 20 78.724 3.581 7.875 1.00 0.00 H new ATOM 0 HD11 LEU A 20 76.863 2.925 9.378 1.00 0.00 H new ATOM 0 HD12 LEU A 20 78.288 3.438 10.313 1.00 0.00 H new ATOM 0 HD13 LEU A 20 76.902 4.538 10.130 1.00 0.00 H new ATOM 0 HD21 LEU A 20 76.378 3.975 7.165 1.00 0.00 H new ATOM 0 HD22 LEU A 20 76.419 5.585 7.921 1.00 0.00 H new ATOM 0 HD23 LEU A 20 77.459 5.233 6.520 1.00 0.00 H new ATOM 326 N ASP A 21 81.966 6.662 7.629 1.00 0.00 N ATOM 327 CA ASP A 21 83.126 7.545 7.946 1.00 0.00 C ATOM 328 C ASP A 21 84.033 7.699 6.721 1.00 0.00 C ATOM 329 O ASP A 21 84.186 8.777 6.184 1.00 0.00 O ATOM 330 CB ASP A 21 83.869 6.834 9.076 1.00 0.00 C ATOM 331 CG ASP A 21 82.874 6.432 10.168 1.00 0.00 C ATOM 332 OD1 ASP A 21 81.771 6.954 10.158 1.00 0.00 O ATOM 333 OD2 ASP A 21 83.233 5.611 10.996 1.00 0.00 O ATOM 0 H ASP A 21 82.208 5.732 7.286 1.00 0.00 H new ATOM 0 HA ASP A 21 82.811 8.548 8.232 1.00 0.00 H new ATOM 0 HB2 ASP A 21 84.379 5.951 8.691 1.00 0.00 H new ATOM 0 HB3 ASP A 21 84.635 7.489 9.491 1.00 0.00 H new ATOM 338 N PHE A 22 84.643 6.632 6.279 1.00 0.00 N ATOM 339 CA PHE A 22 85.543 6.727 5.094 1.00 0.00 C ATOM 340 C PHE A 22 84.733 6.626 3.797 1.00 0.00 C ATOM 341 O PHE A 22 85.114 5.942 2.869 1.00 0.00 O ATOM 342 CB PHE A 22 86.499 5.538 5.220 1.00 0.00 C ATOM 343 CG PHE A 22 86.992 5.429 6.644 1.00 0.00 C ATOM 344 CD1 PHE A 22 87.536 6.548 7.287 1.00 0.00 C ATOM 345 CD2 PHE A 22 86.903 4.207 7.320 1.00 0.00 C ATOM 346 CE1 PHE A 22 87.992 6.443 8.606 1.00 0.00 C ATOM 347 CE2 PHE A 22 87.358 4.102 8.640 1.00 0.00 C ATOM 348 CZ PHE A 22 87.902 5.220 9.283 1.00 0.00 C ATOM 0 H PHE A 22 84.557 5.701 6.686 1.00 0.00 H new ATOM 0 HA PHE A 22 86.075 7.678 5.062 1.00 0.00 H new ATOM 0 HB2 PHE A 22 85.991 4.618 4.930 1.00 0.00 H new ATOM 0 HB3 PHE A 22 87.343 5.664 4.542 1.00 0.00 H new ATOM 0 HD1 PHE A 22 87.604 7.491 6.765 1.00 0.00 H new ATOM 0 HD2 PHE A 22 86.483 3.345 6.823 1.00 0.00 H new ATOM 0 HE1 PHE A 22 88.413 7.305 9.102 1.00 0.00 H new ATOM 0 HE2 PHE A 22 87.289 3.159 9.162 1.00 0.00 H new ATOM 0 HZ PHE A 22 88.252 5.140 10.301 1.00 0.00 H new ATOM 358 N ASN A 23 83.620 7.305 3.725 1.00 0.00 N ATOM 359 CA ASN A 23 82.794 7.245 2.483 1.00 0.00 C ATOM 360 C ASN A 23 83.018 8.500 1.634 1.00 0.00 C ATOM 361 O ASN A 23 82.645 9.593 2.012 1.00 0.00 O ATOM 362 CB ASN A 23 81.346 7.179 2.970 1.00 0.00 C ATOM 363 CG ASN A 23 80.647 5.980 2.326 1.00 0.00 C ATOM 364 OD1 ASN A 23 81.266 5.208 1.621 1.00 0.00 O ATOM 365 ND2 ASN A 23 79.373 5.790 2.539 1.00 0.00 N ATOM 0 H ASN A 23 83.248 7.896 4.468 1.00 0.00 H new ATOM 0 HA ASN A 23 83.053 6.390 1.859 1.00 0.00 H new ATOM 0 HB2 ASN A 23 81.320 7.089 4.056 1.00 0.00 H new ATOM 0 HB3 ASN A 23 80.822 8.100 2.714 1.00 0.00 H new ATOM 0 HD21 ASN A 23 78.898 4.994 2.114 1.00 0.00 H new ATOM 0 HD22 ASN A 23 78.853 6.438 3.131 1.00 0.00 H new ATOM 372 N ASN A 24 83.625 8.350 0.489 1.00 0.00 N ATOM 373 CA ASN A 24 83.873 9.533 -0.386 1.00 0.00 C ATOM 374 C ASN A 24 84.429 10.696 0.440 1.00 0.00 C ATOM 375 O ASN A 24 83.764 11.689 0.656 1.00 0.00 O ATOM 376 CB ASN A 24 82.506 9.893 -0.967 1.00 0.00 C ATOM 377 CG ASN A 24 82.613 11.210 -1.739 1.00 0.00 C ATOM 378 OD1 ASN A 24 81.712 12.134 -1.554 1.00 0.00 O flip ATOM 379 ND2 ASN A 24 83.526 11.399 -2.518 1.00 0.00 N flip ATOM 0 H ASN A 24 83.960 7.460 0.121 1.00 0.00 H new ATOM 0 HA ASN A 24 84.603 9.321 -1.167 1.00 0.00 H new ATOM 0 HB2 ASN A 24 82.159 9.099 -1.628 1.00 0.00 H new ATOM 0 HB3 ASN A 24 81.772 9.986 -0.167 1.00 0.00 H new ATOM 0 HD21 ASN A 24 84.231 10.676 -2.663 1.00 0.00 H new ATOM 0 HD22 ASN A 24 83.588 12.281 -3.027 1.00 0.00 H new ATOM 386 N TYR A 25 85.646 10.581 0.893 1.00 0.00 N ATOM 387 CA TYR A 25 86.254 11.680 1.695 1.00 0.00 C ATOM 388 C TYR A 25 87.593 12.080 1.071 1.00 0.00 C ATOM 389 O TYR A 25 88.167 11.343 0.296 1.00 0.00 O ATOM 390 CB TYR A 25 86.452 11.083 3.095 1.00 0.00 C ATOM 391 CG TYR A 25 87.548 11.825 3.827 1.00 0.00 C ATOM 392 CD1 TYR A 25 88.890 11.572 3.517 1.00 0.00 C ATOM 393 CD2 TYR A 25 87.223 12.761 4.817 1.00 0.00 C ATOM 394 CE1 TYR A 25 89.907 12.256 4.194 1.00 0.00 C ATOM 395 CE2 TYR A 25 88.241 13.445 5.494 1.00 0.00 C ATOM 396 CZ TYR A 25 89.583 13.192 5.183 1.00 0.00 C ATOM 397 OH TYR A 25 90.585 13.866 5.850 1.00 0.00 O ATOM 0 H TYR A 25 86.248 9.771 0.742 1.00 0.00 H new ATOM 0 HA TYR A 25 85.636 12.577 1.730 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.522 11.144 3.659 1.00 0.00 H new ATOM 0 HB3 TYR A 25 86.708 10.027 3.015 1.00 0.00 H new ATOM 0 HD1 TYR A 25 89.141 10.849 2.755 1.00 0.00 H new ATOM 0 HD2 TYR A 25 86.188 12.955 5.058 1.00 0.00 H new ATOM 0 HE1 TYR A 25 90.942 12.061 3.953 1.00 0.00 H new ATOM 0 HE2 TYR A 25 87.991 14.168 6.256 1.00 0.00 H new ATOM 0 HH TYR A 25 90.262 14.752 6.117 1.00 0.00 H new ATOM 407 N GLY A 26 88.098 13.237 1.394 1.00 0.00 N ATOM 408 CA GLY A 26 89.398 13.655 0.803 1.00 0.00 C ATOM 409 C GLY A 26 89.331 13.508 -0.714 1.00 0.00 C ATOM 410 O GLY A 26 88.268 13.399 -1.293 1.00 0.00 O ATOM 0 H GLY A 26 87.672 13.906 2.036 1.00 0.00 H new ATOM 0 HA2 GLY A 26 89.617 14.689 1.071 1.00 0.00 H new ATOM 0 HA3 GLY A 26 90.207 13.044 1.204 1.00 0.00 H new ATOM 414 N CYS A 27 90.457 13.510 -1.364 1.00 0.00 N ATOM 415 CA CYS A 27 90.461 13.378 -2.849 1.00 0.00 C ATOM 416 C CYS A 27 90.610 11.910 -3.267 1.00 0.00 C ATOM 417 O CYS A 27 90.214 11.526 -4.348 1.00 0.00 O ATOM 418 CB CYS A 27 91.667 14.193 -3.315 1.00 0.00 C ATOM 419 SG CYS A 27 91.498 15.905 -2.748 1.00 0.00 S ATOM 0 H CYS A 27 91.378 13.597 -0.933 1.00 0.00 H new ATOM 0 HA CYS A 27 89.529 13.732 -3.290 1.00 0.00 H new ATOM 0 HB2 CYS A 27 92.586 13.758 -2.923 1.00 0.00 H new ATOM 0 HB3 CYS A 27 91.740 14.165 -4.402 1.00 0.00 H new ATOM 424 N TYR A 28 91.180 11.084 -2.428 1.00 0.00 N ATOM 425 CA TYR A 28 91.348 9.651 -2.803 1.00 0.00 C ATOM 426 C TYR A 28 90.292 8.781 -2.113 1.00 0.00 C ATOM 427 O TYR A 28 89.530 8.090 -2.759 1.00 0.00 O ATOM 428 CB TYR A 28 92.751 9.280 -2.322 1.00 0.00 C ATOM 429 CG TYR A 28 93.753 10.241 -2.916 1.00 0.00 C ATOM 430 CD1 TYR A 28 94.134 10.114 -4.257 1.00 0.00 C ATOM 431 CD2 TYR A 28 94.300 11.260 -2.127 1.00 0.00 C ATOM 432 CE1 TYR A 28 95.063 11.004 -4.809 1.00 0.00 C ATOM 433 CE2 TYR A 28 95.229 12.151 -2.679 1.00 0.00 C ATOM 434 CZ TYR A 28 95.610 12.023 -4.020 1.00 0.00 C ATOM 435 OH TYR A 28 96.524 12.903 -4.563 1.00 0.00 O ATOM 0 H TYR A 28 91.534 11.339 -1.506 1.00 0.00 H new ATOM 0 HA TYR A 28 91.226 9.492 -3.874 1.00 0.00 H new ATOM 0 HB2 TYR A 28 92.796 9.316 -1.234 1.00 0.00 H new ATOM 0 HB3 TYR A 28 92.991 8.258 -2.617 1.00 0.00 H new ATOM 0 HD1 TYR A 28 93.711 9.329 -4.866 1.00 0.00 H new ATOM 0 HD2 TYR A 28 94.006 11.359 -1.093 1.00 0.00 H new ATOM 0 HE1 TYR A 28 95.358 10.905 -5.843 1.00 0.00 H new ATOM 0 HE2 TYR A 28 95.651 12.937 -2.070 1.00 0.00 H new ATOM 0 HH TYR A 28 96.342 13.015 -5.519 1.00 0.00 H new ATOM 445 N CYS A 29 90.244 8.803 -0.809 1.00 0.00 N ATOM 446 CA CYS A 29 89.239 7.970 -0.085 1.00 0.00 C ATOM 447 C CYS A 29 87.881 8.039 -0.791 1.00 0.00 C ATOM 448 O CYS A 29 87.243 9.073 -0.832 1.00 0.00 O ATOM 449 CB CYS A 29 89.145 8.578 1.315 1.00 0.00 C ATOM 450 SG CYS A 29 90.768 8.513 2.113 1.00 0.00 S ATOM 0 H CYS A 29 90.856 9.361 -0.213 1.00 0.00 H new ATOM 0 HA CYS A 29 89.527 6.919 -0.053 1.00 0.00 H new ATOM 0 HB2 CYS A 29 88.800 9.610 1.252 1.00 0.00 H new ATOM 0 HB3 CYS A 29 88.413 8.033 1.911 1.00 0.00 H new ATOM 455 N GLY A 30 87.437 6.947 -1.348 1.00 0.00 N ATOM 456 CA GLY A 30 86.123 6.948 -2.051 1.00 0.00 C ATOM 457 C GLY A 30 86.345 6.699 -3.543 1.00 0.00 C ATOM 458 O GLY A 30 87.433 6.368 -3.971 1.00 0.00 O ATOM 0 H GLY A 30 87.928 6.053 -1.347 1.00 0.00 H new ATOM 0 HA2 GLY A 30 85.475 6.177 -1.635 1.00 0.00 H new ATOM 0 HA3 GLY A 30 85.619 7.903 -1.901 1.00 0.00 H new ATOM 462 N LEU A 31 85.323 6.854 -4.340 1.00 0.00 N ATOM 463 CA LEU A 31 85.482 6.624 -5.804 1.00 0.00 C ATOM 464 C LEU A 31 84.929 7.816 -6.590 1.00 0.00 C ATOM 465 O LEU A 31 83.870 7.747 -7.180 1.00 0.00 O ATOM 466 CB LEU A 31 84.671 5.362 -6.098 1.00 0.00 C ATOM 467 CG LEU A 31 84.754 5.039 -7.591 1.00 0.00 C ATOM 468 CD1 LEU A 31 86.085 4.351 -7.891 1.00 0.00 C ATOM 469 CD2 LEU A 31 83.601 4.109 -7.974 1.00 0.00 C ATOM 0 H LEU A 31 84.387 7.129 -4.042 1.00 0.00 H new ATOM 0 HA LEU A 31 86.527 6.512 -6.093 1.00 0.00 H new ATOM 0 HB2 LEU A 31 85.054 4.526 -5.512 1.00 0.00 H new ATOM 0 HB3 LEU A 31 83.632 5.508 -5.804 1.00 0.00 H new ATOM 0 HG LEU A 31 84.685 5.961 -8.168 1.00 0.00 H new ATOM 0 HD11 LEU A 31 86.144 4.121 -8.955 1.00 0.00 H new ATOM 0 HD12 LEU A 31 86.907 5.013 -7.617 1.00 0.00 H new ATOM 0 HD13 LEU A 31 86.155 3.428 -7.316 1.00 0.00 H new ATOM 0 HD21 LEU A 31 83.658 3.878 -9.038 1.00 0.00 H new ATOM 0 HD22 LEU A 31 83.671 3.187 -7.398 1.00 0.00 H new ATOM 0 HD23 LEU A 31 82.651 4.600 -7.760 1.00 0.00 H new ATOM 481 N GLY A 32 85.639 8.911 -6.601 1.00 0.00 N ATOM 482 CA GLY A 32 85.158 10.107 -7.348 1.00 0.00 C ATOM 483 C GLY A 32 86.166 11.245 -7.194 1.00 0.00 C ATOM 484 O GLY A 32 86.650 11.796 -8.163 1.00 0.00 O ATOM 0 H GLY A 32 86.533 9.029 -6.124 1.00 0.00 H new ATOM 0 HA2 GLY A 32 85.028 9.862 -8.402 1.00 0.00 H new ATOM 0 HA3 GLY A 32 84.184 10.417 -6.970 1.00 0.00 H new ATOM 488 N GLY A 33 86.489 11.600 -5.980 1.00 0.00 N ATOM 489 CA GLY A 33 87.469 12.702 -5.761 1.00 0.00 C ATOM 490 C GLY A 33 88.744 12.421 -6.558 1.00 0.00 C ATOM 491 O GLY A 33 88.907 11.366 -7.138 1.00 0.00 O ATOM 0 H GLY A 33 86.117 11.175 -5.131 1.00 0.00 H new ATOM 0 HA2 GLY A 33 87.037 13.653 -6.071 1.00 0.00 H new ATOM 0 HA3 GLY A 33 87.703 12.789 -4.700 1.00 0.00 H new ATOM 495 N SER A 34 89.651 13.359 -6.593 1.00 0.00 N ATOM 496 CA SER A 34 90.915 13.147 -7.354 1.00 0.00 C ATOM 497 C SER A 34 91.808 14.385 -7.248 1.00 0.00 C ATOM 498 O SER A 34 91.506 15.429 -7.792 1.00 0.00 O ATOM 499 CB SER A 34 90.477 12.924 -8.804 1.00 0.00 C ATOM 500 OG SER A 34 89.117 13.313 -8.952 1.00 0.00 O ATOM 0 H SER A 34 89.571 14.263 -6.127 1.00 0.00 H new ATOM 0 HA SER A 34 91.491 12.305 -6.970 1.00 0.00 H new ATOM 0 HB2 SER A 34 91.108 13.503 -9.479 1.00 0.00 H new ATOM 0 HB3 SER A 34 90.598 11.875 -9.075 1.00 0.00 H new ATOM 0 HG SER A 34 88.836 13.172 -9.880 1.00 0.00 H new ATOM 506 N GLY A 35 92.906 14.279 -6.552 1.00 0.00 N ATOM 507 CA GLY A 35 93.813 15.451 -6.412 1.00 0.00 C ATOM 508 C GLY A 35 94.600 15.336 -5.106 1.00 0.00 C ATOM 509 O GLY A 35 94.429 14.404 -4.346 1.00 0.00 O ATOM 0 H GLY A 35 93.214 13.432 -6.075 1.00 0.00 H new ATOM 0 HA2 GLY A 35 94.498 15.497 -7.259 1.00 0.00 H new ATOM 0 HA3 GLY A 35 93.234 16.375 -6.420 1.00 0.00 H new ATOM 513 N THR A 36 95.460 16.280 -4.839 1.00 0.00 N ATOM 514 CA THR A 36 96.259 16.232 -3.582 1.00 0.00 C ATOM 515 C THR A 36 95.380 15.796 -2.408 1.00 0.00 C ATOM 516 O THR A 36 94.205 16.099 -2.366 1.00 0.00 O ATOM 517 CB THR A 36 96.753 17.664 -3.374 1.00 0.00 C ATOM 518 OG1 THR A 36 97.687 17.994 -4.391 1.00 0.00 O ATOM 519 CG2 THR A 36 97.421 17.782 -2.004 1.00 0.00 C ATOM 0 H THR A 36 95.644 17.084 -5.439 1.00 0.00 H new ATOM 0 HA THR A 36 97.081 15.519 -3.644 1.00 0.00 H new ATOM 0 HB THR A 36 95.908 18.351 -3.422 1.00 0.00 H new ATOM 0 HG1 THR A 36 98.003 18.912 -4.260 1.00 0.00 H new ATOM 0 HG21 THR A 36 97.773 18.803 -1.857 1.00 0.00 H new ATOM 0 HG22 THR A 36 96.701 17.531 -1.225 1.00 0.00 H new ATOM 0 HG23 THR A 36 98.267 17.096 -1.951 1.00 0.00 H new ATOM 527 N PRO A 37 95.986 15.099 -1.486 1.00 0.00 N ATOM 528 CA PRO A 37 95.254 14.615 -0.290 1.00 0.00 C ATOM 529 C PRO A 37 94.930 15.786 0.644 1.00 0.00 C ATOM 530 O PRO A 37 95.499 16.853 0.536 1.00 0.00 O ATOM 531 CB PRO A 37 96.236 13.646 0.364 1.00 0.00 C ATOM 532 CG PRO A 37 97.585 14.088 -0.106 1.00 0.00 C ATOM 533 CD PRO A 37 97.397 14.699 -1.471 1.00 0.00 C ATOM 0 HA PRO A 37 94.300 14.145 -0.529 1.00 0.00 H new ATOM 0 HB2 PRO A 37 96.164 13.685 1.451 1.00 0.00 H new ATOM 0 HB3 PRO A 37 96.032 12.617 0.068 1.00 0.00 H new ATOM 0 HG2 PRO A 37 98.016 14.813 0.585 1.00 0.00 H new ATOM 0 HG3 PRO A 37 98.273 13.244 -0.153 1.00 0.00 H new ATOM 0 HD2 PRO A 37 98.056 15.554 -1.620 1.00 0.00 H new ATOM 0 HD3 PRO A 37 97.618 13.984 -2.263 1.00 0.00 H new ATOM 541 N VAL A 38 94.019 15.594 1.560 1.00 0.00 N ATOM 542 CA VAL A 38 93.661 16.699 2.495 1.00 0.00 C ATOM 543 C VAL A 38 94.144 16.375 3.912 1.00 0.00 C ATOM 544 O VAL A 38 94.036 17.183 4.814 1.00 0.00 O ATOM 545 CB VAL A 38 92.134 16.774 2.454 1.00 0.00 C ATOM 546 CG1 VAL A 38 91.671 17.019 1.017 1.00 0.00 C ATOM 547 CG2 VAL A 38 91.546 15.456 2.962 1.00 0.00 C ATOM 0 H VAL A 38 93.509 14.722 1.701 1.00 0.00 H new ATOM 0 HA VAL A 38 94.124 17.644 2.211 1.00 0.00 H new ATOM 0 HB VAL A 38 91.794 17.593 3.088 1.00 0.00 H new ATOM 0 HG11 VAL A 38 90.583 17.072 0.989 1.00 0.00 H new ATOM 0 HG12 VAL A 38 92.089 17.958 0.655 1.00 0.00 H new ATOM 0 HG13 VAL A 38 92.010 16.201 0.381 1.00 0.00 H new ATOM 0 HG21 VAL A 38 90.458 15.508 2.933 1.00 0.00 H new ATOM 0 HG22 VAL A 38 91.887 14.637 2.328 1.00 0.00 H new ATOM 0 HG23 VAL A 38 91.874 15.282 3.987 1.00 0.00 H new ATOM 557 N ASP A 39 94.672 15.200 4.117 1.00 0.00 N ATOM 558 CA ASP A 39 95.158 14.831 5.478 1.00 0.00 C ATOM 559 C ASP A 39 95.871 13.478 5.441 1.00 0.00 C ATOM 560 O ASP A 39 95.852 12.781 4.446 1.00 0.00 O ATOM 561 CB ASP A 39 93.897 14.749 6.337 1.00 0.00 C ATOM 562 CG ASP A 39 94.272 14.902 7.812 1.00 0.00 C ATOM 563 OD1 ASP A 39 94.394 16.030 8.260 1.00 0.00 O ATOM 564 OD2 ASP A 39 94.433 13.886 8.470 1.00 0.00 O ATOM 0 H ASP A 39 94.788 14.480 3.403 1.00 0.00 H new ATOM 0 HA ASP A 39 95.874 15.553 5.870 1.00 0.00 H new ATOM 0 HB2 ASP A 39 93.195 15.531 6.047 1.00 0.00 H new ATOM 0 HB3 ASP A 39 93.396 13.795 6.176 1.00 0.00 H new ATOM 569 N ASP A 40 96.501 13.100 6.520 1.00 0.00 N ATOM 570 CA ASP A 40 97.215 11.791 6.549 1.00 0.00 C ATOM 571 C ASP A 40 96.261 10.662 6.147 1.00 0.00 C ATOM 572 O ASP A 40 96.653 9.705 5.511 1.00 0.00 O ATOM 573 CB ASP A 40 97.674 11.622 7.997 1.00 0.00 C ATOM 574 CG ASP A 40 96.519 11.961 8.943 1.00 0.00 C ATOM 575 OD1 ASP A 40 95.494 11.307 8.853 1.00 0.00 O ATOM 576 OD2 ASP A 40 96.681 12.868 9.742 1.00 0.00 O ATOM 0 H ASP A 40 96.552 13.641 7.383 1.00 0.00 H new ATOM 0 HA ASP A 40 98.053 11.760 5.853 1.00 0.00 H new ATOM 0 HB2 ASP A 40 98.008 10.598 8.166 1.00 0.00 H new ATOM 0 HB3 ASP A 40 98.525 12.272 8.198 1.00 0.00 H new ATOM 581 N LEU A 41 95.011 10.766 6.509 1.00 0.00 N ATOM 582 CA LEU A 41 94.043 9.696 6.136 1.00 0.00 C ATOM 583 C LEU A 41 93.907 9.632 4.614 1.00 0.00 C ATOM 584 O LEU A 41 94.042 8.585 4.010 1.00 0.00 O ATOM 585 CB LEU A 41 92.717 10.107 6.776 1.00 0.00 C ATOM 586 CG LEU A 41 91.723 8.951 6.658 1.00 0.00 C ATOM 587 CD1 LEU A 41 92.043 7.894 7.713 1.00 0.00 C ATOM 588 CD2 LEU A 41 90.303 9.472 6.881 1.00 0.00 C ATOM 0 H LEU A 41 94.620 11.541 7.044 1.00 0.00 H new ATOM 0 HA LEU A 41 94.363 8.711 6.476 1.00 0.00 H new ATOM 0 HB2 LEU A 41 92.870 10.366 7.824 1.00 0.00 H new ATOM 0 HB3 LEU A 41 92.321 10.995 6.283 1.00 0.00 H new ATOM 0 HG LEU A 41 91.798 8.511 5.664 1.00 0.00 H new ATOM 0 HD11 LEU A 41 91.335 7.070 7.629 1.00 0.00 H new ATOM 0 HD12 LEU A 41 93.055 7.520 7.558 1.00 0.00 H new ATOM 0 HD13 LEU A 41 91.968 8.337 8.706 1.00 0.00 H new ATOM 0 HD21 LEU A 41 89.595 8.647 6.797 1.00 0.00 H new ATOM 0 HD22 LEU A 41 90.229 9.913 7.875 1.00 0.00 H new ATOM 0 HD23 LEU A 41 90.071 10.228 6.131 1.00 0.00 H new ATOM 600 N ASP A 42 93.653 10.749 3.987 1.00 0.00 N ATOM 601 CA ASP A 42 93.523 10.753 2.505 1.00 0.00 C ATOM 602 C ASP A 42 94.794 10.172 1.889 1.00 0.00 C ATOM 603 O ASP A 42 94.753 9.444 0.917 1.00 0.00 O ATOM 604 CB ASP A 42 93.362 12.225 2.122 1.00 0.00 C ATOM 605 CG ASP A 42 92.405 12.344 0.937 1.00 0.00 C ATOM 606 OD1 ASP A 42 91.914 11.319 0.493 1.00 0.00 O ATOM 607 OD2 ASP A 42 92.178 13.457 0.493 1.00 0.00 O ATOM 0 H ASP A 42 93.530 11.656 4.437 1.00 0.00 H new ATOM 0 HA ASP A 42 92.683 10.155 2.152 1.00 0.00 H new ATOM 0 HB2 ASP A 42 92.979 12.792 2.970 1.00 0.00 H new ATOM 0 HB3 ASP A 42 94.331 12.652 1.864 1.00 0.00 H new ATOM 612 N ARG A 43 95.925 10.480 2.463 1.00 0.00 N ATOM 613 CA ARG A 43 97.204 9.942 1.934 1.00 0.00 C ATOM 614 C ARG A 43 97.140 8.418 1.885 1.00 0.00 C ATOM 615 O ARG A 43 97.671 7.789 0.993 1.00 0.00 O ATOM 616 CB ARG A 43 98.260 10.400 2.936 1.00 0.00 C ATOM 617 CG ARG A 43 98.728 11.808 2.569 1.00 0.00 C ATOM 618 CD ARG A 43 100.195 11.771 2.136 1.00 0.00 C ATOM 619 NE ARG A 43 100.330 10.560 1.291 1.00 0.00 N ATOM 620 CZ ARG A 43 101.507 10.172 0.886 1.00 0.00 C ATOM 621 NH1 ARG A 43 102.397 9.771 1.753 1.00 0.00 N ATOM 622 NH2 ARG A 43 101.796 10.183 -0.387 1.00 0.00 N ATOM 0 H ARG A 43 96.015 11.084 3.280 1.00 0.00 H new ATOM 0 HA ARG A 43 97.422 10.288 0.924 1.00 0.00 H new ATOM 0 HB2 ARG A 43 97.848 10.393 3.945 1.00 0.00 H new ATOM 0 HB3 ARG A 43 99.105 9.711 2.932 1.00 0.00 H new ATOM 0 HG2 ARG A 43 98.112 12.207 1.764 1.00 0.00 H new ATOM 0 HG3 ARG A 43 98.608 12.475 3.423 1.00 0.00 H new ATOM 0 HD2 ARG A 43 100.462 12.669 1.579 1.00 0.00 H new ATOM 0 HD3 ARG A 43 100.858 11.722 3.000 1.00 0.00 H new ATOM 0 HE ARG A 43 99.500 10.029 1.026 1.00 0.00 H new ATOM 0 HH11 ARG A 43 102.172 9.761 2.748 1.00 0.00 H new ATOM 0 HH12 ARG A 43 103.318 9.468 1.436 1.00 0.00 H new ATOM 0 HH21 ARG A 43 101.101 10.495 -1.065 1.00 0.00 H new ATOM 0 HH22 ARG A 43 102.717 9.879 -0.704 1.00 0.00 H new ATOM 636 N CYS A 44 96.487 7.821 2.842 1.00 0.00 N ATOM 637 CA CYS A 44 96.383 6.340 2.856 1.00 0.00 C ATOM 638 C CYS A 44 95.621 5.865 1.621 1.00 0.00 C ATOM 639 O CYS A 44 96.021 4.938 0.946 1.00 0.00 O ATOM 640 CB CYS A 44 95.594 5.993 4.118 1.00 0.00 C ATOM 641 SG CYS A 44 96.285 6.863 5.549 1.00 0.00 S ATOM 0 H CYS A 44 96.021 8.297 3.615 1.00 0.00 H new ATOM 0 HA CYS A 44 97.363 5.864 2.848 1.00 0.00 H new ATOM 0 HB2 CYS A 44 94.547 6.267 3.988 1.00 0.00 H new ATOM 0 HB3 CYS A 44 95.623 4.917 4.289 1.00 0.00 H new ATOM 646 N CYS A 45 94.519 6.497 1.326 1.00 0.00 N ATOM 647 CA CYS A 45 93.718 6.090 0.138 1.00 0.00 C ATOM 648 C CYS A 45 94.546 6.274 -1.132 1.00 0.00 C ATOM 649 O CYS A 45 94.591 5.410 -1.985 1.00 0.00 O ATOM 650 CB CYS A 45 92.507 7.022 0.137 1.00 0.00 C ATOM 651 SG CYS A 45 91.497 6.699 1.604 1.00 0.00 S ATOM 0 H CYS A 45 94.138 7.280 1.858 1.00 0.00 H new ATOM 0 HA CYS A 45 93.418 5.043 0.174 1.00 0.00 H new ATOM 0 HB2 CYS A 45 92.835 8.062 0.129 1.00 0.00 H new ATOM 0 HB3 CYS A 45 91.916 6.867 -0.766 1.00 0.00 H new ATOM 656 N GLN A 46 95.213 7.388 -1.260 1.00 0.00 N ATOM 657 CA GLN A 46 96.047 7.609 -2.474 1.00 0.00 C ATOM 658 C GLN A 46 97.030 6.448 -2.625 1.00 0.00 C ATOM 659 O GLN A 46 97.297 5.981 -3.713 1.00 0.00 O ATOM 660 CB GLN A 46 96.797 8.918 -2.221 1.00 0.00 C ATOM 661 CG GLN A 46 97.622 9.275 -3.461 1.00 0.00 C ATOM 662 CD GLN A 46 98.440 10.535 -3.193 1.00 0.00 C ATOM 663 OE1 GLN A 46 98.345 11.126 -2.136 1.00 0.00 O ATOM 664 NE2 GLN A 46 99.248 10.971 -4.116 1.00 0.00 N ATOM 0 H GLN A 46 95.217 8.150 -0.582 1.00 0.00 H new ATOM 0 HA GLN A 46 95.454 7.663 -3.387 1.00 0.00 H new ATOM 0 HB2 GLN A 46 96.091 9.718 -1.997 1.00 0.00 H new ATOM 0 HB3 GLN A 46 97.449 8.816 -1.353 1.00 0.00 H new ATOM 0 HG2 GLN A 46 98.284 8.448 -3.719 1.00 0.00 H new ATOM 0 HG3 GLN A 46 96.963 9.433 -4.314 1.00 0.00 H new ATOM 0 HE21 GLN A 46 99.326 10.473 -5.003 1.00 0.00 H new ATOM 0 HE22 GLN A 46 99.803 11.811 -3.953 1.00 0.00 H new ATOM 673 N THR A 47 97.564 5.978 -1.530 1.00 0.00 N ATOM 674 CA THR A 47 98.523 4.845 -1.597 1.00 0.00 C ATOM 675 C THR A 47 97.803 3.584 -2.079 1.00 0.00 C ATOM 676 O THR A 47 98.370 2.758 -2.766 1.00 0.00 O ATOM 677 CB THR A 47 99.028 4.660 -0.165 1.00 0.00 C ATOM 678 OG1 THR A 47 99.483 5.909 0.339 1.00 0.00 O ATOM 679 CG2 THR A 47 100.181 3.654 -0.155 1.00 0.00 C ATOM 0 H THR A 47 97.375 6.332 -0.592 1.00 0.00 H new ATOM 0 HA THR A 47 99.342 5.035 -2.291 1.00 0.00 H new ATOM 0 HB THR A 47 98.218 4.287 0.462 1.00 0.00 H new ATOM 0 HG1 THR A 47 98.744 6.368 0.791 1.00 0.00 H new ATOM 0 HG21 THR A 47 100.540 3.523 0.866 1.00 0.00 H new ATOM 0 HG22 THR A 47 99.832 2.697 -0.543 1.00 0.00 H new ATOM 0 HG23 THR A 47 100.993 4.025 -0.781 1.00 0.00 H new ATOM 687 N HIS A 48 96.551 3.436 -1.734 1.00 0.00 N ATOM 688 CA HIS A 48 95.795 2.236 -2.186 1.00 0.00 C ATOM 689 C HIS A 48 95.793 2.192 -3.711 1.00 0.00 C ATOM 690 O HIS A 48 96.025 1.166 -4.319 1.00 0.00 O ATOM 691 CB HIS A 48 94.376 2.433 -1.652 1.00 0.00 C ATOM 692 CG HIS A 48 93.614 1.141 -1.771 1.00 0.00 C ATOM 693 ND1 HIS A 48 92.249 1.109 -2.010 1.00 0.00 N ATOM 694 CD2 HIS A 48 94.012 -0.169 -1.689 1.00 0.00 C ATOM 695 CE1 HIS A 48 91.878 -0.183 -2.062 1.00 0.00 C ATOM 696 NE2 HIS A 48 92.915 -1.005 -1.873 1.00 0.00 N ATOM 0 H HIS A 48 96.022 4.093 -1.160 1.00 0.00 H new ATOM 0 HA HIS A 48 96.229 1.302 -1.829 1.00 0.00 H new ATOM 0 HB2 HIS A 48 94.409 2.754 -0.611 1.00 0.00 H new ATOM 0 HB3 HIS A 48 93.870 3.219 -2.213 1.00 0.00 H new ATOM 0 HD2 HIS A 48 95.024 -0.501 -1.509 1.00 0.00 H new ATOM 0 HE1 HIS A 48 90.865 -0.516 -2.235 1.00 0.00 H new ATOM 0 HE2 HIS A 48 92.904 -2.025 -1.865 1.00 0.00 H new ATOM 704 N ASP A 49 95.541 3.311 -4.329 1.00 0.00 N ATOM 705 CA ASP A 49 95.531 3.361 -5.809 1.00 0.00 C ATOM 706 C ASP A 49 96.941 3.100 -6.341 1.00 0.00 C ATOM 707 O ASP A 49 97.144 2.307 -7.238 1.00 0.00 O ATOM 708 CB ASP A 49 95.078 4.782 -6.148 1.00 0.00 C ATOM 709 CG ASP A 49 93.551 4.833 -6.195 1.00 0.00 C ATOM 710 OD1 ASP A 49 92.945 4.832 -5.136 1.00 0.00 O ATOM 711 OD2 ASP A 49 93.013 4.871 -7.289 1.00 0.00 O ATOM 0 H ASP A 49 95.341 4.197 -3.865 1.00 0.00 H new ATOM 0 HA ASP A 49 94.877 2.611 -6.254 1.00 0.00 H new ATOM 0 HB2 ASP A 49 95.453 5.482 -5.402 1.00 0.00 H new ATOM 0 HB3 ASP A 49 95.492 5.088 -7.109 1.00 0.00 H new ATOM 716 N ASN A 50 97.918 3.762 -5.782 1.00 0.00 N ATOM 717 CA ASN A 50 99.318 3.561 -6.234 1.00 0.00 C ATOM 718 C ASN A 50 99.727 2.100 -6.043 1.00 0.00 C ATOM 719 O ASN A 50 100.488 1.551 -6.814 1.00 0.00 O ATOM 720 CB ASN A 50 100.154 4.476 -5.338 1.00 0.00 C ATOM 721 CG ASN A 50 100.271 5.857 -5.985 1.00 0.00 C ATOM 722 OD1 ASN A 50 100.082 6.001 -7.177 1.00 0.00 O ATOM 723 ND2 ASN A 50 100.578 6.887 -5.244 1.00 0.00 N ATOM 0 H ASN A 50 97.802 4.437 -5.027 1.00 0.00 H new ATOM 0 HA ASN A 50 99.452 3.792 -7.291 1.00 0.00 H new ATOM 0 HB2 ASN A 50 99.691 4.562 -4.355 1.00 0.00 H new ATOM 0 HB3 ASN A 50 101.145 4.048 -5.187 1.00 0.00 H new ATOM 0 HD21 ASN A 50 100.659 7.812 -5.665 1.00 0.00 H new ATOM 0 HD22 ASN A 50 100.737 6.766 -4.244 1.00 0.00 H new ATOM 730 N CYS A 51 99.225 1.464 -5.018 1.00 0.00 N ATOM 731 CA CYS A 51 99.584 0.037 -4.779 1.00 0.00 C ATOM 732 C CYS A 51 98.944 -0.842 -5.859 1.00 0.00 C ATOM 733 O CYS A 51 99.567 -1.739 -6.391 1.00 0.00 O ATOM 734 CB CYS A 51 99.012 -0.291 -3.399 1.00 0.00 C ATOM 735 SG CYS A 51 99.870 -1.733 -2.715 1.00 0.00 S ATOM 0 H CYS A 51 98.583 1.871 -4.337 1.00 0.00 H new ATOM 0 HA CYS A 51 100.659 -0.139 -4.818 1.00 0.00 H new ATOM 0 HB2 CYS A 51 99.128 0.564 -2.733 1.00 0.00 H new ATOM 0 HB3 CYS A 51 97.944 -0.493 -3.475 1.00 0.00 H new ATOM 740 N TYR A 52 97.708 -0.581 -6.196 1.00 0.00 N ATOM 741 CA TYR A 52 97.035 -1.394 -7.250 1.00 0.00 C ATOM 742 C TYR A 52 97.814 -1.287 -8.561 1.00 0.00 C ATOM 743 O TYR A 52 97.834 -2.201 -9.362 1.00 0.00 O ATOM 744 CB TYR A 52 95.642 -0.780 -7.402 1.00 0.00 C ATOM 745 CG TYR A 52 94.673 -1.461 -6.461 1.00 0.00 C ATOM 746 CD1 TYR A 52 95.149 -2.195 -5.367 1.00 0.00 C ATOM 747 CD2 TYR A 52 93.294 -1.356 -6.686 1.00 0.00 C ATOM 748 CE1 TYR A 52 94.248 -2.823 -4.500 1.00 0.00 C ATOM 749 CE2 TYR A 52 92.394 -1.985 -5.818 1.00 0.00 C ATOM 750 CZ TYR A 52 92.870 -2.718 -4.725 1.00 0.00 C ATOM 751 OH TYR A 52 91.982 -3.337 -3.869 1.00 0.00 O ATOM 0 H TYR A 52 97.137 0.159 -5.787 1.00 0.00 H new ATOM 0 HA TYR A 52 96.983 -2.451 -6.990 1.00 0.00 H new ATOM 0 HB2 TYR A 52 95.681 0.288 -7.188 1.00 0.00 H new ATOM 0 HB3 TYR A 52 95.299 -0.886 -8.431 1.00 0.00 H new ATOM 0 HD1 TYR A 52 96.212 -2.276 -5.193 1.00 0.00 H new ATOM 0 HD2 TYR A 52 92.926 -0.790 -7.529 1.00 0.00 H new ATOM 0 HE1 TYR A 52 94.616 -3.389 -3.657 1.00 0.00 H new ATOM 0 HE2 TYR A 52 91.331 -1.905 -5.992 1.00 0.00 H new ATOM 0 HH TYR A 52 92.464 -3.978 -3.306 1.00 0.00 H new ATOM 761 N LYS A 53 98.471 -0.181 -8.779 1.00 0.00 N ATOM 762 CA LYS A 53 99.266 -0.023 -10.031 1.00 0.00 C ATOM 763 C LYS A 53 100.521 -0.864 -9.893 1.00 0.00 C ATOM 764 O LYS A 53 100.839 -1.692 -10.725 1.00 0.00 O ATOM 765 CB LYS A 53 99.646 1.464 -10.123 1.00 0.00 C ATOM 766 CG LYS A 53 98.515 2.341 -9.590 1.00 0.00 C ATOM 767 CD LYS A 53 98.053 3.301 -10.688 1.00 0.00 C ATOM 768 CE LYS A 53 98.984 4.518 -10.724 1.00 0.00 C ATOM 769 NZ LYS A 53 99.538 4.551 -12.108 1.00 0.00 N ATOM 0 H LYS A 53 98.492 0.619 -8.146 1.00 0.00 H new ATOM 0 HA LYS A 53 98.715 -0.336 -10.918 1.00 0.00 H new ATOM 0 HB2 LYS A 53 100.556 1.648 -9.553 1.00 0.00 H new ATOM 0 HB3 LYS A 53 99.860 1.727 -11.159 1.00 0.00 H new ATOM 0 HG2 LYS A 53 97.682 1.719 -9.262 1.00 0.00 H new ATOM 0 HG3 LYS A 53 98.855 2.903 -8.720 1.00 0.00 H new ATOM 0 HD2 LYS A 53 98.059 2.796 -11.654 1.00 0.00 H new ATOM 0 HD3 LYS A 53 97.027 3.619 -10.501 1.00 0.00 H new ATOM 0 HE2 LYS A 53 98.441 5.435 -10.496 1.00 0.00 H new ATOM 0 HE3 LYS A 53 99.779 4.426 -9.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 100.184 5.360 -12.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 100.057 3.669 -12.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 98.760 4.647 -12.791 1.00 0.00 H new ATOM 783 N GLN A 54 101.223 -0.654 -8.824 1.00 0.00 N ATOM 784 CA GLN A 54 102.462 -1.431 -8.575 1.00 0.00 C ATOM 785 C GLN A 54 102.141 -2.926 -8.599 1.00 0.00 C ATOM 786 O GLN A 54 102.937 -3.740 -9.025 1.00 0.00 O ATOM 787 CB GLN A 54 102.922 -1.001 -7.184 1.00 0.00 C ATOM 788 CG GLN A 54 103.548 0.393 -7.263 1.00 0.00 C ATOM 789 CD GLN A 54 103.597 1.009 -5.865 1.00 0.00 C ATOM 790 OE1 GLN A 54 103.438 2.204 -5.708 1.00 0.00 O ATOM 791 NE2 GLN A 54 103.812 0.239 -4.835 1.00 0.00 N ATOM 0 H GLN A 54 100.990 0.029 -8.103 1.00 0.00 H new ATOM 0 HA GLN A 54 103.231 -1.253 -9.327 1.00 0.00 H new ATOM 0 HB2 GLN A 54 102.077 -0.993 -6.496 1.00 0.00 H new ATOM 0 HB3 GLN A 54 103.646 -1.715 -6.792 1.00 0.00 H new ATOM 0 HG2 GLN A 54 104.553 0.329 -7.679 1.00 0.00 H new ATOM 0 HG3 GLN A 54 102.966 1.027 -7.932 1.00 0.00 H new ATOM 0 HE21 GLN A 54 103.945 -0.764 -4.967 1.00 0.00 H new ATOM 0 HE22 GLN A 54 103.847 0.639 -3.897 1.00 0.00 H new ATOM 800 N ALA A 55 100.972 -3.289 -8.147 1.00 0.00 N ATOM 801 CA ALA A 55 100.584 -4.728 -8.145 1.00 0.00 C ATOM 802 C ALA A 55 100.549 -5.258 -9.579 1.00 0.00 C ATOM 803 O ALA A 55 100.975 -6.362 -9.853 1.00 0.00 O ATOM 804 CB ALA A 55 99.187 -4.762 -7.525 1.00 0.00 C ATOM 0 H ALA A 55 100.268 -2.650 -7.778 1.00 0.00 H new ATOM 0 HA ALA A 55 101.288 -5.349 -7.590 1.00 0.00 H new ATOM 0 HB1 ALA A 55 98.830 -5.791 -7.488 1.00 0.00 H new ATOM 0 HB2 ALA A 55 99.227 -4.356 -6.514 1.00 0.00 H new ATOM 0 HB3 ALA A 55 98.506 -4.163 -8.130 1.00 0.00 H new ATOM 810 N LYS A 56 100.049 -4.476 -10.496 1.00 0.00 N ATOM 811 CA LYS A 56 99.994 -4.932 -11.914 1.00 0.00 C ATOM 812 C LYS A 56 101.412 -5.040 -12.480 1.00 0.00 C ATOM 813 O LYS A 56 101.715 -5.918 -13.263 1.00 0.00 O ATOM 814 CB LYS A 56 99.201 -3.849 -12.650 1.00 0.00 C ATOM 815 CG LYS A 56 97.750 -3.860 -12.165 1.00 0.00 C ATOM 816 CD LYS A 56 96.810 -3.897 -13.371 1.00 0.00 C ATOM 817 CE LYS A 56 96.066 -5.233 -13.397 1.00 0.00 C ATOM 818 NZ LYS A 56 94.867 -4.988 -14.245 1.00 0.00 N ATOM 0 H LYS A 56 99.676 -3.542 -10.325 1.00 0.00 H new ATOM 0 HA LYS A 56 99.531 -5.913 -12.019 1.00 0.00 H new ATOM 0 HB2 LYS A 56 99.648 -2.871 -12.471 1.00 0.00 H new ATOM 0 HB3 LYS A 56 99.237 -4.024 -13.725 1.00 0.00 H new ATOM 0 HG2 LYS A 56 97.575 -4.726 -11.527 1.00 0.00 H new ATOM 0 HG3 LYS A 56 97.550 -2.975 -11.562 1.00 0.00 H new ATOM 0 HD2 LYS A 56 96.098 -3.073 -13.316 1.00 0.00 H new ATOM 0 HD3 LYS A 56 97.378 -3.767 -14.292 1.00 0.00 H new ATOM 0 HE2 LYS A 56 96.689 -6.024 -13.814 1.00 0.00 H new ATOM 0 HE3 LYS A 56 95.782 -5.547 -12.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 94.304 -5.860 -14.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 94.289 -4.235 -13.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 95.169 -4.698 -15.197 1.00 0.00 H new ATOM 832 N LYS A 57 102.283 -4.150 -12.086 1.00 0.00 N ATOM 833 CA LYS A 57 103.679 -4.195 -12.594 1.00 0.00 C ATOM 834 C LYS A 57 104.347 -5.513 -12.195 1.00 0.00 C ATOM 835 O LYS A 57 105.165 -6.048 -12.917 1.00 0.00 O ATOM 836 CB LYS A 57 104.382 -3.015 -11.922 1.00 0.00 C ATOM 837 CG LYS A 57 104.280 -1.780 -12.818 1.00 0.00 C ATOM 838 CD LYS A 57 105.611 -1.563 -13.542 1.00 0.00 C ATOM 839 CE LYS A 57 105.754 -2.594 -14.664 1.00 0.00 C ATOM 840 NZ LYS A 57 106.085 -1.799 -15.880 1.00 0.00 N ATOM 0 H LYS A 57 102.084 -3.393 -11.432 1.00 0.00 H new ATOM 0 HA LYS A 57 103.724 -4.133 -13.681 1.00 0.00 H new ATOM 0 HB2 LYS A 57 103.927 -2.812 -10.952 1.00 0.00 H new ATOM 0 HB3 LYS A 57 105.429 -3.258 -11.739 1.00 0.00 H new ATOM 0 HG2 LYS A 57 103.476 -1.909 -13.543 1.00 0.00 H new ATOM 0 HG3 LYS A 57 104.032 -0.903 -12.220 1.00 0.00 H new ATOM 0 HD2 LYS A 57 105.654 -0.554 -13.953 1.00 0.00 H new ATOM 0 HD3 LYS A 57 106.439 -1.657 -12.839 1.00 0.00 H new ATOM 0 HE2 LYS A 57 106.539 -3.316 -14.439 1.00 0.00 H new ATOM 0 HE3 LYS A 57 104.832 -3.159 -14.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 106.198 -2.438 -16.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 105.317 -1.125 -16.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 106.971 -1.278 -15.723 1.00 0.00 H new ATOM 854 N LEU A 58 104.008 -6.038 -11.047 1.00 0.00 N ATOM 855 CA LEU A 58 104.624 -7.315 -10.598 1.00 0.00 C ATOM 856 C LEU A 58 104.646 -8.328 -11.743 1.00 0.00 C ATOM 857 O LEU A 58 103.633 -8.621 -12.345 1.00 0.00 O ATOM 858 CB LEU A 58 103.723 -7.807 -9.467 1.00 0.00 C ATOM 859 CG LEU A 58 104.505 -7.813 -8.155 1.00 0.00 C ATOM 860 CD1 LEU A 58 104.434 -6.428 -7.509 1.00 0.00 C ATOM 861 CD2 LEU A 58 103.897 -8.847 -7.209 1.00 0.00 C ATOM 0 H LEU A 58 103.329 -5.634 -10.402 1.00 0.00 H new ATOM 0 HA LEU A 58 105.656 -7.184 -10.274 1.00 0.00 H new ATOM 0 HB2 LEU A 58 102.849 -7.162 -9.378 1.00 0.00 H new ATOM 0 HB3 LEU A 58 103.358 -8.810 -9.689 1.00 0.00 H new ATOM 0 HG LEU A 58 105.546 -8.066 -8.354 1.00 0.00 H new ATOM 0 HD11 LEU A 58 104.992 -6.434 -6.573 1.00 0.00 H new ATOM 0 HD12 LEU A 58 104.865 -5.689 -8.184 1.00 0.00 H new ATOM 0 HD13 LEU A 58 103.393 -6.173 -7.309 1.00 0.00 H new ATOM 0 HD21 LEU A 58 104.453 -8.854 -6.271 1.00 0.00 H new ATOM 0 HD22 LEU A 58 102.856 -8.592 -7.012 1.00 0.00 H new ATOM 0 HD23 LEU A 58 103.948 -9.834 -7.668 1.00 0.00 H new ATOM 873 N ASP A 59 105.794 -8.869 -12.046 1.00 0.00 N ATOM 874 CA ASP A 59 105.875 -9.867 -13.150 1.00 0.00 C ATOM 875 C ASP A 59 104.733 -10.880 -13.025 1.00 0.00 C ATOM 876 O ASP A 59 103.920 -11.027 -13.916 1.00 0.00 O ATOM 877 CB ASP A 59 107.228 -10.555 -12.960 1.00 0.00 C ATOM 878 CG ASP A 59 108.300 -9.805 -13.754 1.00 0.00 C ATOM 879 OD1 ASP A 59 108.023 -8.697 -14.185 1.00 0.00 O ATOM 880 OD2 ASP A 59 109.379 -10.351 -13.916 1.00 0.00 O ATOM 0 H ASP A 59 106.677 -8.664 -11.578 1.00 0.00 H new ATOM 0 HA ASP A 59 105.787 -9.408 -14.135 1.00 0.00 H new ATOM 0 HB2 ASP A 59 107.492 -10.576 -11.903 1.00 0.00 H new ATOM 0 HB3 ASP A 59 107.171 -11.591 -13.295 1.00 0.00 H new ATOM 885 N SER A 60 104.666 -11.578 -11.923 1.00 0.00 N ATOM 886 CA SER A 60 103.577 -12.578 -11.739 1.00 0.00 C ATOM 887 C SER A 60 102.235 -11.986 -12.172 1.00 0.00 C ATOM 888 O SER A 60 101.352 -12.686 -12.624 1.00 0.00 O ATOM 889 CB SER A 60 103.568 -12.883 -10.242 1.00 0.00 C ATOM 890 OG SER A 60 103.969 -14.231 -10.033 1.00 0.00 O ATOM 0 H SER A 60 105.318 -11.498 -11.143 1.00 0.00 H new ATOM 0 HA SER A 60 103.736 -13.475 -12.338 1.00 0.00 H new ATOM 0 HB2 SER A 60 104.242 -12.206 -9.718 1.00 0.00 H new ATOM 0 HB3 SER A 60 102.571 -12.721 -9.832 1.00 0.00 H new ATOM 0 HG SER A 60 103.263 -14.711 -9.552 1.00 0.00 H new ATOM 896 N CYS A 61 102.075 -10.698 -12.037 1.00 0.00 N ATOM 897 CA CYS A 61 100.789 -10.064 -12.441 1.00 0.00 C ATOM 898 C CYS A 61 100.863 -9.611 -13.902 1.00 0.00 C ATOM 899 O CYS A 61 99.869 -9.570 -14.599 1.00 0.00 O ATOM 900 CB CYS A 61 100.629 -8.864 -11.506 1.00 0.00 C ATOM 901 SG CYS A 61 100.840 -9.395 -9.784 1.00 0.00 S ATOM 0 H CYS A 61 102.778 -10.059 -11.665 1.00 0.00 H new ATOM 0 HA CYS A 61 99.945 -10.749 -12.366 1.00 0.00 H new ATOM 0 HB2 CYS A 61 101.364 -8.098 -11.753 1.00 0.00 H new ATOM 0 HB3 CYS A 61 99.645 -8.416 -11.640 1.00 0.00 H new ATOM 906 N LYS A 62 102.034 -9.275 -14.374 1.00 0.00 N ATOM 907 CA LYS A 62 102.164 -8.832 -15.792 1.00 0.00 C ATOM 908 C LYS A 62 101.801 -9.985 -16.733 1.00 0.00 C ATOM 909 O LYS A 62 101.453 -9.779 -17.879 1.00 0.00 O ATOM 910 CB LYS A 62 103.634 -8.445 -15.958 1.00 0.00 C ATOM 911 CG LYS A 62 103.866 -7.913 -17.374 1.00 0.00 C ATOM 912 CD LYS A 62 104.743 -6.661 -17.311 1.00 0.00 C ATOM 913 CE LYS A 62 104.673 -5.918 -18.648 1.00 0.00 C ATOM 914 NZ LYS A 62 103.384 -5.171 -18.612 1.00 0.00 N ATOM 0 H LYS A 62 102.903 -9.288 -13.841 1.00 0.00 H new ATOM 0 HA LYS A 62 101.500 -8.001 -16.030 1.00 0.00 H new ATOM 0 HB2 LYS A 62 103.906 -7.686 -15.224 1.00 0.00 H new ATOM 0 HB3 LYS A 62 104.272 -9.310 -15.774 1.00 0.00 H new ATOM 0 HG2 LYS A 62 104.346 -8.676 -17.987 1.00 0.00 H new ATOM 0 HG3 LYS A 62 102.912 -7.679 -17.847 1.00 0.00 H new ATOM 0 HD2 LYS A 62 104.408 -6.010 -16.504 1.00 0.00 H new ATOM 0 HD3 LYS A 62 105.774 -6.937 -17.090 1.00 0.00 H new ATOM 0 HE2 LYS A 62 105.518 -5.240 -18.766 1.00 0.00 H new ATOM 0 HE3 LYS A 62 104.702 -6.613 -19.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 102.844 -5.368 -19.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 102.831 -5.472 -17.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 103.576 -4.151 -18.548 1.00 0.00 H new ATOM 928 N VAL A 63 101.878 -11.196 -16.253 1.00 0.00 N ATOM 929 CA VAL A 63 101.534 -12.362 -17.114 1.00 0.00 C ATOM 930 C VAL A 63 100.084 -12.785 -16.866 1.00 0.00 C ATOM 931 O VAL A 63 99.479 -13.468 -17.668 1.00 0.00 O ATOM 932 CB VAL A 63 102.497 -13.468 -16.681 1.00 0.00 C ATOM 933 CG1 VAL A 63 102.124 -14.774 -17.385 1.00 0.00 C ATOM 934 CG2 VAL A 63 103.928 -13.074 -17.059 1.00 0.00 C ATOM 0 H VAL A 63 102.164 -11.428 -15.302 1.00 0.00 H new ATOM 0 HA VAL A 63 101.624 -12.137 -18.177 1.00 0.00 H new ATOM 0 HB VAL A 63 102.431 -13.606 -15.602 1.00 0.00 H new ATOM 0 HG11 VAL A 63 102.810 -15.563 -17.076 1.00 0.00 H new ATOM 0 HG12 VAL A 63 101.105 -15.054 -17.117 1.00 0.00 H new ATOM 0 HG13 VAL A 63 102.190 -14.637 -18.464 1.00 0.00 H new ATOM 0 HG21 VAL A 63 104.616 -13.862 -16.751 1.00 0.00 H new ATOM 0 HG22 VAL A 63 103.994 -12.936 -18.138 1.00 0.00 H new ATOM 0 HG23 VAL A 63 104.194 -12.144 -16.557 1.00 0.00 H new ATOM 944 N LEU A 64 99.523 -12.382 -15.757 1.00 0.00 N ATOM 945 CA LEU A 64 98.113 -12.758 -15.453 1.00 0.00 C ATOM 946 C LEU A 64 97.160 -11.662 -15.938 1.00 0.00 C ATOM 947 O LEU A 64 96.142 -11.933 -16.543 1.00 0.00 O ATOM 948 CB LEU A 64 98.058 -12.885 -13.929 1.00 0.00 C ATOM 949 CG LEU A 64 98.589 -14.258 -13.508 1.00 0.00 C ATOM 950 CD1 LEU A 64 97.555 -15.331 -13.852 1.00 0.00 C ATOM 951 CD2 LEU A 64 99.895 -14.555 -14.253 1.00 0.00 C ATOM 0 H LEU A 64 99.981 -11.808 -15.049 1.00 0.00 H new ATOM 0 HA LEU A 64 97.813 -13.681 -15.949 1.00 0.00 H new ATOM 0 HB2 LEU A 64 98.652 -12.097 -13.467 1.00 0.00 H new ATOM 0 HB3 LEU A 64 97.033 -12.758 -13.580 1.00 0.00 H new ATOM 0 HG LEU A 64 98.775 -14.259 -12.434 1.00 0.00 H new ATOM 0 HD11 LEU A 64 97.932 -16.309 -13.553 1.00 0.00 H new ATOM 0 HD12 LEU A 64 96.625 -15.123 -13.323 1.00 0.00 H new ATOM 0 HD13 LEU A 64 97.370 -15.327 -14.926 1.00 0.00 H new ATOM 0 HD21 LEU A 64 100.271 -15.533 -13.952 1.00 0.00 H new ATOM 0 HD22 LEU A 64 99.710 -14.552 -15.327 1.00 0.00 H new ATOM 0 HD23 LEU A 64 100.634 -13.791 -14.010 1.00 0.00 H new ATOM 963 N VAL A 65 97.494 -10.423 -15.691 1.00 0.00 N ATOM 964 CA VAL A 65 96.622 -9.306 -16.149 1.00 0.00 C ATOM 965 C VAL A 65 95.181 -9.549 -15.706 1.00 0.00 C ATOM 966 O VAL A 65 94.231 -9.010 -16.240 1.00 0.00 O ATOM 967 CB VAL A 65 96.806 -9.360 -17.658 1.00 0.00 C ATOM 968 CG1 VAL A 65 95.488 -9.118 -18.405 1.00 0.00 C ATOM 969 CG2 VAL A 65 97.832 -8.308 -18.082 1.00 0.00 C ATOM 0 H VAL A 65 98.336 -10.137 -15.190 1.00 0.00 H new ATOM 0 HA VAL A 65 96.868 -8.326 -15.740 1.00 0.00 H new ATOM 0 HB VAL A 65 97.157 -10.359 -17.916 1.00 0.00 H new ATOM 0 HG11 VAL A 65 95.665 -9.165 -19.480 1.00 0.00 H new ATOM 0 HG12 VAL A 65 94.764 -9.882 -18.122 1.00 0.00 H new ATOM 0 HG13 VAL A 65 95.097 -8.134 -18.144 1.00 0.00 H new ATOM 0 HG21 VAL A 65 97.965 -8.345 -19.163 1.00 0.00 H new ATOM 0 HG22 VAL A 65 97.479 -7.318 -17.794 1.00 0.00 H new ATOM 0 HG23 VAL A 65 98.784 -8.510 -17.592 1.00 0.00 H new ATOM 979 N ASP A 66 95.037 -10.349 -14.714 1.00 0.00 N ATOM 980 CA ASP A 66 93.685 -10.660 -14.179 1.00 0.00 C ATOM 981 C ASP A 66 92.961 -9.368 -13.788 1.00 0.00 C ATOM 982 O ASP A 66 93.547 -8.304 -13.754 1.00 0.00 O ATOM 983 CB ASP A 66 93.934 -11.533 -12.949 1.00 0.00 C ATOM 984 CG ASP A 66 94.765 -10.753 -11.929 1.00 0.00 C ATOM 985 OD1 ASP A 66 94.361 -9.657 -11.578 1.00 0.00 O ATOM 986 OD2 ASP A 66 95.790 -11.268 -11.513 1.00 0.00 O ATOM 0 H ASP A 66 95.806 -10.816 -14.233 1.00 0.00 H new ATOM 0 HA ASP A 66 93.057 -11.165 -14.913 1.00 0.00 H new ATOM 0 HB2 ASP A 66 92.985 -11.835 -12.506 1.00 0.00 H new ATOM 0 HB3 ASP A 66 94.456 -12.446 -13.237 1.00 0.00 H new ATOM 991 N ASN A 67 91.693 -9.452 -13.494 1.00 0.00 N ATOM 992 CA ASN A 67 90.934 -8.227 -13.106 1.00 0.00 C ATOM 993 C ASN A 67 91.156 -7.917 -11.621 1.00 0.00 C ATOM 994 O ASN A 67 91.059 -8.793 -10.784 1.00 0.00 O ATOM 995 CB ASN A 67 89.467 -8.569 -13.371 1.00 0.00 C ATOM 996 CG ASN A 67 89.212 -8.593 -14.879 1.00 0.00 C ATOM 997 OD1 ASN A 67 88.729 -9.573 -15.411 1.00 0.00 O ATOM 998 ND2 ASN A 67 89.519 -7.547 -15.598 1.00 0.00 N ATOM 0 H ASN A 67 91.149 -10.315 -13.505 1.00 0.00 H new ATOM 0 HA ASN A 67 91.253 -7.347 -13.665 1.00 0.00 H new ATOM 0 HB2 ASN A 67 89.224 -9.538 -12.935 1.00 0.00 H new ATOM 0 HB3 ASN A 67 88.819 -7.834 -12.894 1.00 0.00 H new ATOM 0 HD21 ASN A 67 89.353 -7.553 -16.604 1.00 0.00 H new ATOM 0 HD22 ASN A 67 89.924 -6.724 -15.153 1.00 0.00 H new ATOM 1005 N PRO A 68 91.453 -6.676 -11.346 1.00 0.00 N ATOM 1006 CA PRO A 68 91.697 -6.242 -9.950 1.00 0.00 C ATOM 1007 C PRO A 68 90.377 -6.130 -9.182 1.00 0.00 C ATOM 1008 O PRO A 68 90.348 -6.181 -7.969 1.00 0.00 O ATOM 1009 CB PRO A 68 92.352 -4.873 -10.111 1.00 0.00 C ATOM 1010 CG PRO A 68 91.887 -4.368 -11.441 1.00 0.00 C ATOM 1011 CD PRO A 68 91.588 -5.571 -12.301 1.00 0.00 C ATOM 0 HA PRO A 68 92.314 -6.942 -9.386 1.00 0.00 H new ATOM 0 HB2 PRO A 68 92.055 -4.198 -9.308 1.00 0.00 H new ATOM 0 HB3 PRO A 68 93.439 -4.950 -10.077 1.00 0.00 H new ATOM 0 HG2 PRO A 68 90.998 -3.748 -11.327 1.00 0.00 H new ATOM 0 HG3 PRO A 68 92.653 -3.746 -11.904 1.00 0.00 H new ATOM 0 HD2 PRO A 68 90.674 -5.430 -12.878 1.00 0.00 H new ATOM 0 HD3 PRO A 68 92.390 -5.758 -13.015 1.00 0.00 H new ATOM 1019 N TYR A 69 89.283 -5.976 -9.878 1.00 0.00 N ATOM 1020 CA TYR A 69 87.969 -5.861 -9.182 1.00 0.00 C ATOM 1021 C TYR A 69 87.331 -7.243 -9.023 1.00 0.00 C ATOM 1022 O TYR A 69 86.125 -7.376 -8.950 1.00 0.00 O ATOM 1023 CB TYR A 69 87.113 -4.974 -10.089 1.00 0.00 C ATOM 1024 CG TYR A 69 87.349 -3.510 -9.737 1.00 0.00 C ATOM 1025 CD1 TYR A 69 88.648 -3.048 -9.495 1.00 0.00 C ATOM 1026 CD2 TYR A 69 86.265 -2.628 -9.655 1.00 0.00 C ATOM 1027 CE1 TYR A 69 88.863 -1.703 -9.172 1.00 0.00 C ATOM 1028 CE2 TYR A 69 86.480 -1.282 -9.332 1.00 0.00 C ATOM 1029 CZ TYR A 69 87.780 -0.821 -9.090 1.00 0.00 C ATOM 1030 OH TYR A 69 87.992 0.506 -8.770 1.00 0.00 O ATOM 0 H TYR A 69 89.242 -5.925 -10.896 1.00 0.00 H new ATOM 0 HA TYR A 69 88.069 -5.441 -8.181 1.00 0.00 H new ATOM 0 HB2 TYR A 69 87.366 -5.153 -11.134 1.00 0.00 H new ATOM 0 HB3 TYR A 69 86.059 -5.223 -9.969 1.00 0.00 H new ATOM 0 HD1 TYR A 69 89.484 -3.729 -9.557 1.00 0.00 H new ATOM 0 HD2 TYR A 69 85.263 -2.985 -9.841 1.00 0.00 H new ATOM 0 HE1 TYR A 69 89.865 -1.346 -8.986 1.00 0.00 H new ATOM 0 HE2 TYR A 69 85.644 -0.601 -9.270 1.00 0.00 H new ATOM 0 HH TYR A 69 87.135 0.980 -8.756 1.00 0.00 H new ATOM 1040 N THR A 70 88.133 -8.271 -8.961 1.00 0.00 N ATOM 1041 CA THR A 70 87.583 -9.644 -8.799 1.00 0.00 C ATOM 1042 C THR A 70 88.710 -10.674 -8.896 1.00 0.00 C ATOM 1043 O THR A 70 88.623 -11.639 -9.629 1.00 0.00 O ATOM 1044 CB THR A 70 86.591 -9.823 -9.949 1.00 0.00 C ATOM 1045 OG1 THR A 70 86.257 -11.199 -10.070 1.00 0.00 O ATOM 1046 CG2 THR A 70 87.221 -9.332 -11.252 1.00 0.00 C ATOM 0 H THR A 70 89.150 -8.217 -9.016 1.00 0.00 H new ATOM 0 HA THR A 70 87.103 -9.783 -7.830 1.00 0.00 H new ATOM 0 HB THR A 70 85.690 -9.245 -9.746 1.00 0.00 H new ATOM 0 HG1 THR A 70 87.068 -11.717 -10.257 1.00 0.00 H new ATOM 0 HG21 THR A 70 86.512 -9.461 -12.070 1.00 0.00 H new ATOM 0 HG22 THR A 70 87.478 -8.277 -11.157 1.00 0.00 H new ATOM 0 HG23 THR A 70 88.123 -9.908 -11.460 1.00 0.00 H new ATOM 1054 N ASN A 71 89.772 -10.475 -8.161 1.00 0.00 N ATOM 1055 CA ASN A 71 90.906 -11.440 -8.212 1.00 0.00 C ATOM 1056 C ASN A 71 90.758 -12.495 -7.110 1.00 0.00 C ATOM 1057 O ASN A 71 91.601 -12.625 -6.245 1.00 0.00 O ATOM 1058 CB ASN A 71 92.156 -10.593 -7.979 1.00 0.00 C ATOM 1059 CG ASN A 71 93.389 -11.349 -8.482 1.00 0.00 C ATOM 1060 OD1 ASN A 71 93.961 -10.995 -9.494 1.00 0.00 O ATOM 1061 ND2 ASN A 71 93.823 -12.382 -7.814 1.00 0.00 N ATOM 0 H ASN A 71 89.902 -9.686 -7.528 1.00 0.00 H new ATOM 0 HA ASN A 71 90.947 -11.977 -9.159 1.00 0.00 H new ATOM 0 HB2 ASN A 71 92.064 -9.640 -8.499 1.00 0.00 H new ATOM 0 HB3 ASN A 71 92.263 -10.368 -6.918 1.00 0.00 H new ATOM 0 HD21 ASN A 71 94.643 -12.893 -8.141 1.00 0.00 H new ATOM 0 HD22 ASN A 71 93.342 -12.679 -6.965 1.00 0.00 H new ATOM 1068 N ASN A 72 89.694 -13.250 -7.139 1.00 0.00 N ATOM 1069 CA ASN A 72 89.492 -14.299 -6.097 1.00 0.00 C ATOM 1070 C ASN A 72 89.472 -13.672 -4.701 1.00 0.00 C ATOM 1071 O ASN A 72 88.425 -13.408 -4.143 1.00 0.00 O ATOM 1072 CB ASN A 72 90.691 -15.236 -6.241 1.00 0.00 C ATOM 1073 CG ASN A 72 90.225 -16.572 -6.819 1.00 0.00 C ATOM 1074 OD1 ASN A 72 89.712 -16.627 -7.918 1.00 0.00 O ATOM 1075 ND2 ASN A 72 90.384 -17.662 -6.118 1.00 0.00 N ATOM 0 H ASN A 72 88.955 -13.186 -7.839 1.00 0.00 H new ATOM 0 HA ASN A 72 88.544 -14.822 -6.222 1.00 0.00 H new ATOM 0 HB2 ASN A 72 91.441 -14.787 -6.892 1.00 0.00 H new ATOM 0 HB3 ASN A 72 91.163 -15.392 -5.271 1.00 0.00 H new ATOM 0 HD21 ASN A 72 90.077 -18.559 -6.494 1.00 0.00 H new ATOM 0 HD22 ASN A 72 90.815 -17.616 -5.195 1.00 0.00 H new ATOM 1082 N TYR A 73 90.622 -13.439 -4.129 1.00 0.00 N ATOM 1083 CA TYR A 73 90.671 -12.835 -2.765 1.00 0.00 C ATOM 1084 C TYR A 73 90.146 -13.834 -1.731 1.00 0.00 C ATOM 1085 O TYR A 73 89.108 -14.439 -1.906 1.00 0.00 O ATOM 1086 CB TYR A 73 89.762 -11.606 -2.835 1.00 0.00 C ATOM 1087 CG TYR A 73 90.475 -10.416 -2.238 1.00 0.00 C ATOM 1088 CD1 TYR A 73 90.792 -10.401 -0.874 1.00 0.00 C ATOM 1089 CD2 TYR A 73 90.818 -9.328 -3.049 1.00 0.00 C ATOM 1090 CE1 TYR A 73 91.453 -9.297 -0.322 1.00 0.00 C ATOM 1091 CE2 TYR A 73 91.478 -8.225 -2.496 1.00 0.00 C ATOM 1092 CZ TYR A 73 91.796 -8.209 -1.133 1.00 0.00 C ATOM 1093 OH TYR A 73 92.448 -7.120 -0.590 1.00 0.00 O ATOM 0 H TYR A 73 91.530 -13.641 -4.547 1.00 0.00 H new ATOM 0 HA TYR A 73 91.685 -12.569 -2.468 1.00 0.00 H new ATOM 0 HB2 TYR A 73 89.492 -11.399 -3.871 1.00 0.00 H new ATOM 0 HB3 TYR A 73 88.834 -11.796 -2.295 1.00 0.00 H new ATOM 0 HD1 TYR A 73 90.527 -11.240 -0.248 1.00 0.00 H new ATOM 0 HD2 TYR A 73 90.573 -9.340 -4.101 1.00 0.00 H new ATOM 0 HE1 TYR A 73 91.698 -9.285 0.730 1.00 0.00 H new ATOM 0 HE2 TYR A 73 91.742 -7.385 -3.122 1.00 0.00 H new ATOM 0 HH TYR A 73 92.593 -7.270 0.368 1.00 0.00 H new ATOM 1103 N SER A 74 90.859 -14.010 -0.654 1.00 0.00 N ATOM 1104 CA SER A 74 90.406 -14.967 0.396 1.00 0.00 C ATOM 1105 C SER A 74 91.123 -14.672 1.714 1.00 0.00 C ATOM 1106 O SER A 74 92.170 -15.220 1.998 1.00 0.00 O ATOM 1107 CB SER A 74 90.794 -16.349 -0.131 1.00 0.00 C ATOM 1108 OG SER A 74 89.625 -17.149 -0.255 1.00 0.00 O ATOM 0 H SER A 74 91.738 -13.532 -0.454 1.00 0.00 H new ATOM 0 HA SER A 74 89.336 -14.895 0.591 1.00 0.00 H new ATOM 0 HB2 SER A 74 91.290 -16.257 -1.097 1.00 0.00 H new ATOM 0 HB3 SER A 74 91.503 -16.824 0.547 1.00 0.00 H new ATOM 0 HG SER A 74 89.870 -18.035 -0.594 1.00 0.00 H new ATOM 1114 N TYR A 75 90.573 -13.804 2.518 1.00 0.00 N ATOM 1115 CA TYR A 75 91.227 -13.470 3.814 1.00 0.00 C ATOM 1116 C TYR A 75 90.211 -13.542 4.958 1.00 0.00 C ATOM 1117 O TYR A 75 89.037 -13.768 4.745 1.00 0.00 O ATOM 1118 CB TYR A 75 91.741 -12.039 3.636 1.00 0.00 C ATOM 1119 CG TYR A 75 90.576 -11.060 3.721 1.00 0.00 C ATOM 1120 CD1 TYR A 75 90.184 -10.542 4.962 1.00 0.00 C ATOM 1121 CD2 TYR A 75 89.894 -10.680 2.558 1.00 0.00 C ATOM 1122 CE1 TYR A 75 89.113 -9.645 5.039 1.00 0.00 C ATOM 1123 CE2 TYR A 75 88.823 -9.783 2.637 1.00 0.00 C ATOM 1124 CZ TYR A 75 88.432 -9.266 3.877 1.00 0.00 C ATOM 1125 OH TYR A 75 87.375 -8.381 3.953 1.00 0.00 O ATOM 0 H TYR A 75 89.699 -13.312 2.333 1.00 0.00 H new ATOM 0 HA TYR A 75 92.029 -14.164 4.065 1.00 0.00 H new ATOM 0 HB2 TYR A 75 92.479 -11.809 4.405 1.00 0.00 H new ATOM 0 HB3 TYR A 75 92.243 -11.940 2.673 1.00 0.00 H new ATOM 0 HD1 TYR A 75 90.709 -10.835 5.859 1.00 0.00 H new ATOM 0 HD2 TYR A 75 90.195 -11.079 1.601 1.00 0.00 H new ATOM 0 HE1 TYR A 75 88.812 -9.245 5.996 1.00 0.00 H new ATOM 0 HE2 TYR A 75 88.298 -9.489 1.740 1.00 0.00 H new ATOM 0 HH TYR A 75 87.684 -7.481 3.717 1.00 0.00 H new ATOM 1135 N SER A 76 90.657 -13.346 6.167 1.00 0.00 N ATOM 1136 CA SER A 76 89.723 -13.399 7.328 1.00 0.00 C ATOM 1137 C SER A 76 90.058 -12.284 8.320 1.00 0.00 C ATOM 1138 O SER A 76 90.956 -11.497 8.102 1.00 0.00 O ATOM 1139 CB SER A 76 89.956 -14.768 7.964 1.00 0.00 C ATOM 1140 OG SER A 76 88.700 -15.363 8.267 1.00 0.00 O ATOM 0 H SER A 76 91.630 -13.151 6.403 1.00 0.00 H new ATOM 0 HA SER A 76 88.684 -13.262 7.030 1.00 0.00 H new ATOM 0 HB2 SER A 76 90.520 -15.407 7.284 1.00 0.00 H new ATOM 0 HB3 SER A 76 90.551 -14.664 8.871 1.00 0.00 H new ATOM 0 HG SER A 76 88.844 -16.243 8.674 1.00 0.00 H new ATOM 1146 N CYS A 77 89.345 -12.209 9.409 1.00 0.00 N ATOM 1147 CA CYS A 77 89.632 -11.146 10.412 1.00 0.00 C ATOM 1148 C CYS A 77 89.842 -11.770 11.788 1.00 0.00 C ATOM 1149 O CYS A 77 89.538 -12.923 12.018 1.00 0.00 O ATOM 1150 CB CYS A 77 88.395 -10.249 10.414 1.00 0.00 C ATOM 1151 SG CYS A 77 88.511 -9.017 11.735 1.00 0.00 S ATOM 0 H CYS A 77 88.577 -12.837 9.648 1.00 0.00 H new ATOM 0 HA CYS A 77 90.536 -10.586 10.172 1.00 0.00 H new ATOM 0 HB2 CYS A 77 88.298 -9.750 9.450 1.00 0.00 H new ATOM 0 HB3 CYS A 77 87.499 -10.855 10.550 1.00 0.00 H new ATOM 1156 N SER A 78 90.363 -11.008 12.700 1.00 0.00 N ATOM 1157 CA SER A 78 90.602 -11.537 14.075 1.00 0.00 C ATOM 1158 C SER A 78 91.455 -10.557 14.885 1.00 0.00 C ATOM 1159 O SER A 78 92.321 -9.888 14.355 1.00 0.00 O ATOM 1160 CB SER A 78 91.352 -12.855 13.875 1.00 0.00 C ATOM 1161 OG SER A 78 92.095 -13.155 15.050 1.00 0.00 O ATOM 0 H SER A 78 90.637 -10.036 12.557 1.00 0.00 H new ATOM 0 HA SER A 78 89.671 -11.676 14.624 1.00 0.00 H new ATOM 0 HB2 SER A 78 90.648 -13.659 13.661 1.00 0.00 H new ATOM 0 HB3 SER A 78 92.020 -12.780 13.017 1.00 0.00 H new ATOM 0 HG SER A 78 92.576 -14.000 14.926 1.00 0.00 H new ATOM 1167 N ASN A 79 91.214 -10.473 16.166 1.00 0.00 N ATOM 1168 CA ASN A 79 92.003 -9.543 17.024 1.00 0.00 C ATOM 1169 C ASN A 79 92.260 -8.223 16.295 1.00 0.00 C ATOM 1170 O ASN A 79 93.377 -7.751 16.218 1.00 0.00 O ATOM 1171 CB ASN A 79 93.318 -10.273 17.298 1.00 0.00 C ATOM 1172 CG ASN A 79 93.124 -11.249 18.458 1.00 0.00 C ATOM 1173 OD1 ASN A 79 93.263 -10.880 19.608 1.00 0.00 O ATOM 1174 ND2 ASN A 79 92.806 -12.489 18.205 1.00 0.00 N ATOM 0 H ASN A 79 90.501 -11.012 16.657 1.00 0.00 H new ATOM 0 HA ASN A 79 91.477 -9.292 17.945 1.00 0.00 H new ATOM 0 HB2 ASN A 79 93.641 -10.810 16.406 1.00 0.00 H new ATOM 0 HB3 ASN A 79 94.102 -9.555 17.539 1.00 0.00 H new ATOM 0 HD21 ASN A 79 92.674 -13.148 18.972 1.00 0.00 H new ATOM 0 HD22 ASN A 79 92.689 -12.799 17.240 1.00 0.00 H new ATOM 1181 N ASN A 80 91.233 -7.625 15.765 1.00 0.00 N ATOM 1182 CA ASN A 80 91.399 -6.341 15.049 1.00 0.00 C ATOM 1183 C ASN A 80 92.561 -6.449 14.071 1.00 0.00 C ATOM 1184 O ASN A 80 93.386 -5.566 13.955 1.00 0.00 O ATOM 1185 CB ASN A 80 91.679 -5.311 16.136 1.00 0.00 C ATOM 1186 CG ASN A 80 90.782 -5.555 17.322 1.00 0.00 C ATOM 1187 OD1 ASN A 80 89.660 -6.149 17.134 1.00 0.00 O flip ATOM 1188 ND2 ASN A 80 91.107 -5.199 18.437 1.00 0.00 N flip ATOM 0 H ASN A 80 90.277 -7.978 15.800 1.00 0.00 H new ATOM 0 HA ASN A 80 90.521 -6.065 14.465 1.00 0.00 H new ATOM 0 HB2 ASN A 80 92.724 -5.368 16.442 1.00 0.00 H new ATOM 0 HB3 ASN A 80 91.515 -4.306 15.747 1.00 0.00 H new ATOM 0 HD21 ASN A 80 92.000 -4.727 18.582 1.00 0.00 H new ATOM 0 HD22 ASN A 80 90.487 -5.372 19.228 1.00 0.00 H new ATOM 1195 N GLU A 81 92.616 -7.537 13.365 1.00 0.00 N ATOM 1196 CA GLU A 81 93.705 -7.737 12.381 1.00 0.00 C ATOM 1197 C GLU A 81 93.191 -8.477 11.150 1.00 0.00 C ATOM 1198 O GLU A 81 92.200 -9.177 11.197 1.00 0.00 O ATOM 1199 CB GLU A 81 94.757 -8.571 13.104 1.00 0.00 C ATOM 1200 CG GLU A 81 95.460 -7.699 14.137 1.00 0.00 C ATOM 1201 CD GLU A 81 96.973 -7.861 13.999 1.00 0.00 C ATOM 1202 OE1 GLU A 81 97.494 -8.836 14.515 1.00 0.00 O ATOM 1203 OE2 GLU A 81 97.587 -7.007 13.380 1.00 0.00 O ATOM 0 H GLU A 81 91.946 -8.303 13.429 1.00 0.00 H new ATOM 0 HA GLU A 81 94.110 -6.788 12.030 1.00 0.00 H new ATOM 0 HB2 GLU A 81 94.289 -9.427 13.590 1.00 0.00 H new ATOM 0 HB3 GLU A 81 95.480 -8.966 12.390 1.00 0.00 H new ATOM 0 HG2 GLU A 81 95.181 -6.655 13.996 1.00 0.00 H new ATOM 0 HG3 GLU A 81 95.144 -7.981 15.141 1.00 0.00 H new ATOM 1210 N ILE A 82 93.864 -8.327 10.048 1.00 0.00 N ATOM 1211 CA ILE A 82 93.422 -9.017 8.803 1.00 0.00 C ATOM 1212 C ILE A 82 94.137 -10.364 8.657 1.00 0.00 C ATOM 1213 O ILE A 82 95.308 -10.497 8.955 1.00 0.00 O ATOM 1214 CB ILE A 82 93.803 -8.067 7.666 1.00 0.00 C ATOM 1215 CG1 ILE A 82 92.770 -6.939 7.586 1.00 0.00 C ATOM 1216 CG2 ILE A 82 93.823 -8.830 6.340 1.00 0.00 C ATOM 1217 CD1 ILE A 82 93.470 -5.589 7.742 1.00 0.00 C ATOM 0 H ILE A 82 94.704 -7.756 9.952 1.00 0.00 H new ATOM 0 HA ILE A 82 92.354 -9.233 8.806 1.00 0.00 H new ATOM 0 HB ILE A 82 94.792 -7.651 7.857 1.00 0.00 H new ATOM 0 HG12 ILE A 82 92.246 -6.980 6.631 1.00 0.00 H new ATOM 0 HG13 ILE A 82 92.020 -7.063 8.367 1.00 0.00 H new ATOM 0 HG21 ILE A 82 94.095 -8.150 5.533 1.00 0.00 H new ATOM 0 HG22 ILE A 82 94.553 -9.637 6.396 1.00 0.00 H new ATOM 0 HG23 ILE A 82 92.835 -9.247 6.145 1.00 0.00 H new ATOM 0 HD11 ILE A 82 92.733 -4.788 7.685 1.00 0.00 H new ATOM 0 HD12 ILE A 82 93.974 -5.550 8.708 1.00 0.00 H new ATOM 0 HD13 ILE A 82 94.203 -5.465 6.945 1.00 0.00 H new ATOM 1229 N THR A 83 93.432 -11.364 8.204 1.00 0.00 N ATOM 1230 CA THR A 83 94.051 -12.711 8.039 1.00 0.00 C ATOM 1231 C THR A 83 94.007 -13.134 6.565 1.00 0.00 C ATOM 1232 O THR A 83 93.043 -13.713 6.107 1.00 0.00 O ATOM 1233 CB THR A 83 93.184 -13.635 8.906 1.00 0.00 C ATOM 1234 OG1 THR A 83 93.669 -13.615 10.241 1.00 0.00 O ATOM 1235 CG2 THR A 83 93.229 -15.069 8.371 1.00 0.00 C ATOM 0 H THR A 83 92.449 -11.306 7.940 1.00 0.00 H new ATOM 0 HA THR A 83 95.099 -12.738 8.336 1.00 0.00 H new ATOM 0 HB THR A 83 92.153 -13.282 8.878 1.00 0.00 H new ATOM 0 HG1 THR A 83 93.117 -14.202 10.798 1.00 0.00 H new ATOM 0 HG21 THR A 83 92.609 -15.711 8.997 1.00 0.00 H new ATOM 0 HG22 THR A 83 92.853 -15.088 7.348 1.00 0.00 H new ATOM 0 HG23 THR A 83 94.257 -15.431 8.386 1.00 0.00 H new ATOM 1243 N CYS A 84 95.039 -12.853 5.818 1.00 0.00 N ATOM 1244 CA CYS A 84 95.042 -13.247 4.380 1.00 0.00 C ATOM 1245 C CYS A 84 95.593 -14.667 4.217 1.00 0.00 C ATOM 1246 O CYS A 84 96.526 -15.064 4.885 1.00 0.00 O ATOM 1247 CB CYS A 84 95.956 -12.232 3.690 1.00 0.00 C ATOM 1248 SG CYS A 84 95.093 -11.524 2.265 1.00 0.00 S ATOM 0 H CYS A 84 95.878 -12.369 6.139 1.00 0.00 H new ATOM 0 HA CYS A 84 94.039 -13.248 3.953 1.00 0.00 H new ATOM 0 HB2 CYS A 84 96.236 -11.444 4.389 1.00 0.00 H new ATOM 0 HB3 CYS A 84 96.878 -12.715 3.368 1.00 0.00 H new ATOM 1253 N SER A 85 95.018 -15.438 3.331 1.00 0.00 N ATOM 1254 CA SER A 85 95.504 -16.833 3.124 1.00 0.00 C ATOM 1255 C SER A 85 96.916 -16.820 2.533 1.00 0.00 C ATOM 1256 O SER A 85 97.251 -15.982 1.721 1.00 0.00 O ATOM 1257 CB SER A 85 94.519 -17.455 2.137 1.00 0.00 C ATOM 1258 OG SER A 85 94.601 -16.769 0.894 1.00 0.00 O ATOM 0 H SER A 85 94.233 -15.161 2.742 1.00 0.00 H new ATOM 0 HA SER A 85 95.555 -17.393 4.058 1.00 0.00 H new ATOM 0 HB2 SER A 85 94.745 -18.512 1.997 1.00 0.00 H new ATOM 0 HB3 SER A 85 93.505 -17.396 2.532 1.00 0.00 H new ATOM 0 HG SER A 85 95.505 -16.409 0.778 1.00 0.00 H new ATOM 1264 N SER A 86 97.746 -17.743 2.935 1.00 0.00 N ATOM 1265 CA SER A 86 99.135 -17.782 2.394 1.00 0.00 C ATOM 1266 C SER A 86 99.129 -18.305 0.957 1.00 0.00 C ATOM 1267 O SER A 86 100.104 -18.194 0.241 1.00 0.00 O ATOM 1268 CB SER A 86 99.893 -18.737 3.314 1.00 0.00 C ATOM 1269 OG SER A 86 99.494 -20.073 3.033 1.00 0.00 O ATOM 0 H SER A 86 97.523 -18.471 3.614 1.00 0.00 H new ATOM 0 HA SER A 86 99.596 -16.795 2.367 1.00 0.00 H new ATOM 0 HB2 SER A 86 100.967 -18.627 3.166 1.00 0.00 H new ATOM 0 HB3 SER A 86 99.688 -18.495 4.357 1.00 0.00 H new ATOM 0 HG SER A 86 99.979 -20.690 3.620 1.00 0.00 H new ATOM 1275 N GLU A 87 98.035 -18.869 0.527 1.00 0.00 N ATOM 1276 CA GLU A 87 97.964 -19.394 -0.867 1.00 0.00 C ATOM 1277 C GLU A 87 98.117 -18.246 -1.867 1.00 0.00 C ATOM 1278 O GLU A 87 98.504 -18.444 -3.003 1.00 0.00 O ATOM 1279 CB GLU A 87 96.575 -20.020 -0.981 1.00 0.00 C ATOM 1280 CG GLU A 87 96.635 -21.486 -0.547 1.00 0.00 C ATOM 1281 CD GLU A 87 96.653 -22.387 -1.784 1.00 0.00 C ATOM 1282 OE1 GLU A 87 97.266 -22.001 -2.766 1.00 0.00 O ATOM 1283 OE2 GLU A 87 96.056 -23.450 -1.727 1.00 0.00 O ATOM 0 H GLU A 87 97.186 -18.990 1.080 1.00 0.00 H new ATOM 0 HA GLU A 87 98.755 -20.113 -1.082 1.00 0.00 H new ATOM 0 HB2 GLU A 87 95.867 -19.474 -0.357 1.00 0.00 H new ATOM 0 HB3 GLU A 87 96.216 -19.949 -2.008 1.00 0.00 H new ATOM 0 HG2 GLU A 87 97.526 -21.661 0.056 1.00 0.00 H new ATOM 0 HG3 GLU A 87 95.775 -21.726 0.078 1.00 0.00 H new ATOM 1290 N ASN A 88 97.811 -17.046 -1.454 1.00 0.00 N ATOM 1291 CA ASN A 88 97.928 -15.882 -2.375 1.00 0.00 C ATOM 1292 C ASN A 88 99.299 -15.871 -3.059 1.00 0.00 C ATOM 1293 O ASN A 88 100.322 -15.748 -2.415 1.00 0.00 O ATOM 1294 CB ASN A 88 97.768 -14.654 -1.478 1.00 0.00 C ATOM 1295 CG ASN A 88 96.388 -14.677 -0.819 1.00 0.00 C ATOM 1296 OD1 ASN A 88 95.642 -15.623 -0.976 1.00 0.00 O ATOM 1297 ND2 ASN A 88 96.015 -13.669 -0.078 1.00 0.00 N ATOM 0 H ASN A 88 97.484 -16.822 -0.514 1.00 0.00 H new ATOM 0 HA ASN A 88 97.183 -15.912 -3.170 1.00 0.00 H new ATOM 0 HB2 ASN A 88 98.546 -14.644 -0.715 1.00 0.00 H new ATOM 0 HB3 ASN A 88 97.886 -13.744 -2.066 1.00 0.00 H new ATOM 0 HD21 ASN A 88 95.098 -13.676 0.369 1.00 0.00 H new ATOM 0 HD22 ASN A 88 96.641 -12.874 0.054 1.00 0.00 H new ATOM 1304 N ASN A 89 99.329 -15.994 -4.358 1.00 0.00 N ATOM 1305 CA ASN A 89 100.637 -15.985 -5.076 1.00 0.00 C ATOM 1306 C ASN A 89 101.223 -14.571 -5.089 1.00 0.00 C ATOM 1307 O ASN A 89 100.694 -13.661 -4.481 1.00 0.00 O ATOM 1308 CB ASN A 89 100.323 -16.449 -6.501 1.00 0.00 C ATOM 1309 CG ASN A 89 99.143 -15.649 -7.055 1.00 0.00 C ATOM 1310 OD1 ASN A 89 98.763 -14.639 -6.496 1.00 0.00 O ATOM 1311 ND2 ASN A 89 98.545 -16.058 -8.140 1.00 0.00 N ATOM 0 H ASN A 89 98.507 -16.100 -4.953 1.00 0.00 H new ATOM 0 HA ASN A 89 101.371 -16.631 -4.595 1.00 0.00 H new ATOM 0 HB2 ASN A 89 101.197 -16.315 -7.138 1.00 0.00 H new ATOM 0 HB3 ASN A 89 100.087 -17.513 -6.504 1.00 0.00 H new ATOM 0 HD21 ASN A 89 97.759 -15.530 -8.519 1.00 0.00 H new ATOM 0 HD22 ASN A 89 98.864 -16.906 -8.609 1.00 0.00 H new ATOM 1318 N ALA A 90 102.319 -14.381 -5.771 1.00 0.00 N ATOM 1319 CA ALA A 90 102.951 -13.033 -5.821 1.00 0.00 C ATOM 1320 C ALA A 90 101.900 -11.944 -6.059 1.00 0.00 C ATOM 1321 O ALA A 90 101.984 -10.861 -5.516 1.00 0.00 O ATOM 1322 CB ALA A 90 103.926 -13.099 -6.995 1.00 0.00 C ATOM 0 H ALA A 90 102.806 -15.106 -6.298 1.00 0.00 H new ATOM 0 HA ALA A 90 103.448 -12.783 -4.884 1.00 0.00 H new ATOM 0 HB1 ALA A 90 104.435 -12.141 -7.100 1.00 0.00 H new ATOM 0 HB2 ALA A 90 104.662 -13.882 -6.813 1.00 0.00 H new ATOM 0 HB3 ALA A 90 103.378 -13.321 -7.911 1.00 0.00 H new ATOM 1328 N CYS A 91 100.918 -12.214 -6.876 1.00 0.00 N ATOM 1329 CA CYS A 91 99.876 -11.181 -7.151 1.00 0.00 C ATOM 1330 C CYS A 91 98.830 -11.157 -6.033 1.00 0.00 C ATOM 1331 O CYS A 91 98.535 -10.121 -5.471 1.00 0.00 O ATOM 1332 CB CYS A 91 99.238 -11.602 -8.474 1.00 0.00 C ATOM 1333 SG CYS A 91 100.429 -11.373 -9.818 1.00 0.00 S ATOM 0 H CYS A 91 100.792 -13.101 -7.364 1.00 0.00 H new ATOM 0 HA CYS A 91 100.300 -10.178 -7.202 1.00 0.00 H new ATOM 0 HB2 CYS A 91 98.926 -12.645 -8.424 1.00 0.00 H new ATOM 0 HB3 CYS A 91 98.342 -11.010 -8.663 1.00 0.00 H new ATOM 1338 N GLU A 92 98.264 -12.286 -5.707 1.00 0.00 N ATOM 1339 CA GLU A 92 97.235 -12.317 -4.627 1.00 0.00 C ATOM 1340 C GLU A 92 97.826 -11.794 -3.318 1.00 0.00 C ATOM 1341 O GLU A 92 97.139 -11.206 -2.506 1.00 0.00 O ATOM 1342 CB GLU A 92 96.849 -13.790 -4.491 1.00 0.00 C ATOM 1343 CG GLU A 92 95.885 -14.170 -5.615 1.00 0.00 C ATOM 1344 CD GLU A 92 94.453 -14.176 -5.079 1.00 0.00 C ATOM 1345 OE1 GLU A 92 94.148 -13.335 -4.249 1.00 0.00 O ATOM 1346 OE2 GLU A 92 93.683 -15.022 -5.508 1.00 0.00 O ATOM 0 H GLU A 92 98.468 -13.187 -6.140 1.00 0.00 H new ATOM 0 HA GLU A 92 96.374 -11.690 -4.858 1.00 0.00 H new ATOM 0 HB2 GLU A 92 97.740 -14.416 -4.535 1.00 0.00 H new ATOM 0 HB3 GLU A 92 96.382 -13.967 -3.522 1.00 0.00 H new ATOM 0 HG2 GLU A 92 95.973 -13.462 -6.439 1.00 0.00 H new ATOM 0 HG3 GLU A 92 96.141 -15.153 -6.011 1.00 0.00 H new ATOM 1353 N ALA A 93 99.095 -12.005 -3.103 1.00 0.00 N ATOM 1354 CA ALA A 93 99.726 -11.520 -1.842 1.00 0.00 C ATOM 1355 C ALA A 93 99.930 -10.005 -1.902 1.00 0.00 C ATOM 1356 O ALA A 93 99.600 -9.288 -0.978 1.00 0.00 O ATOM 1357 CB ALA A 93 101.071 -12.243 -1.763 1.00 0.00 C ATOM 0 H ALA A 93 99.722 -12.491 -3.744 1.00 0.00 H new ATOM 0 HA ALA A 93 99.107 -11.722 -0.968 1.00 0.00 H new ATOM 0 HB1 ALA A 93 101.596 -11.937 -0.858 1.00 0.00 H new ATOM 0 HB2 ALA A 93 100.904 -13.320 -1.739 1.00 0.00 H new ATOM 0 HB3 ALA A 93 101.673 -11.988 -2.635 1.00 0.00 H new ATOM 1363 N PHE A 94 100.469 -9.510 -2.984 1.00 0.00 N ATOM 1364 CA PHE A 94 100.686 -8.041 -3.097 1.00 0.00 C ATOM 1365 C PHE A 94 99.342 -7.309 -3.100 1.00 0.00 C ATOM 1366 O PHE A 94 99.184 -6.278 -2.478 1.00 0.00 O ATOM 1367 CB PHE A 94 101.407 -7.843 -4.431 1.00 0.00 C ATOM 1368 CG PHE A 94 101.904 -6.420 -4.522 1.00 0.00 C ATOM 1369 CD1 PHE A 94 101.030 -5.397 -4.909 1.00 0.00 C ATOM 1370 CD2 PHE A 94 103.238 -6.123 -4.216 1.00 0.00 C ATOM 1371 CE1 PHE A 94 101.489 -4.077 -4.991 1.00 0.00 C ATOM 1372 CE2 PHE A 94 103.697 -4.803 -4.299 1.00 0.00 C ATOM 1373 CZ PHE A 94 102.821 -3.780 -4.686 1.00 0.00 C ATOM 0 H PHE A 94 100.767 -10.058 -3.791 1.00 0.00 H new ATOM 0 HA PHE A 94 101.264 -7.645 -2.262 1.00 0.00 H new ATOM 0 HB2 PHE A 94 102.242 -8.538 -4.513 1.00 0.00 H new ATOM 0 HB3 PHE A 94 100.731 -8.058 -5.259 1.00 0.00 H new ATOM 0 HD1 PHE A 94 100.001 -5.626 -5.144 1.00 0.00 H new ATOM 0 HD2 PHE A 94 103.912 -6.912 -3.916 1.00 0.00 H new ATOM 0 HE1 PHE A 94 100.815 -3.288 -5.290 1.00 0.00 H new ATOM 0 HE2 PHE A 94 104.726 -4.573 -4.065 1.00 0.00 H new ATOM 0 HZ PHE A 94 103.175 -2.762 -4.749 1.00 0.00 H new ATOM 1383 N ILE A 95 98.369 -7.836 -3.794 1.00 0.00 N ATOM 1384 CA ILE A 95 97.038 -7.169 -3.831 1.00 0.00 C ATOM 1385 C ILE A 95 96.432 -7.134 -2.425 1.00 0.00 C ATOM 1386 O ILE A 95 95.825 -6.161 -2.024 1.00 0.00 O ATOM 1387 CB ILE A 95 96.185 -8.030 -4.763 1.00 0.00 C ATOM 1388 CG1 ILE A 95 96.739 -7.935 -6.187 1.00 0.00 C ATOM 1389 CG2 ILE A 95 94.740 -7.529 -4.743 1.00 0.00 C ATOM 1390 CD1 ILE A 95 95.875 -8.775 -7.129 1.00 0.00 C ATOM 0 H ILE A 95 98.439 -8.698 -4.335 1.00 0.00 H new ATOM 0 HA ILE A 95 97.100 -6.138 -4.179 1.00 0.00 H new ATOM 0 HB ILE A 95 96.212 -9.067 -4.428 1.00 0.00 H new ATOM 0 HG12 ILE A 95 96.749 -6.896 -6.516 1.00 0.00 H new ATOM 0 HG13 ILE A 95 97.770 -8.287 -6.211 1.00 0.00 H new ATOM 0 HG21 ILE A 95 94.133 -8.143 -5.408 1.00 0.00 H new ATOM 0 HG22 ILE A 95 94.346 -7.594 -3.729 1.00 0.00 H new ATOM 0 HG23 ILE A 95 94.710 -6.492 -5.078 1.00 0.00 H new ATOM 0 HD11 ILE A 95 96.270 -8.707 -8.143 1.00 0.00 H new ATOM 0 HD12 ILE A 95 95.888 -9.815 -6.804 1.00 0.00 H new ATOM 0 HD13 ILE A 95 94.851 -8.402 -7.113 1.00 0.00 H new ATOM 1402 N CYS A 96 96.599 -8.188 -1.672 1.00 0.00 N ATOM 1403 CA CYS A 96 96.040 -8.214 -0.290 1.00 0.00 C ATOM 1404 C CYS A 96 96.805 -7.229 0.597 1.00 0.00 C ATOM 1405 O CYS A 96 96.304 -6.759 1.599 1.00 0.00 O ATOM 1406 CB CYS A 96 96.249 -9.650 0.192 1.00 0.00 C ATOM 1407 SG CYS A 96 95.987 -9.735 1.982 1.00 0.00 S ATOM 0 H CYS A 96 97.098 -9.032 -1.954 1.00 0.00 H new ATOM 0 HA CYS A 96 94.989 -7.925 -0.257 1.00 0.00 H new ATOM 0 HB2 CYS A 96 95.558 -10.320 -0.319 1.00 0.00 H new ATOM 0 HB3 CYS A 96 97.257 -9.984 -0.054 1.00 0.00 H new ATOM 1412 N ASN A 97 98.018 -6.914 0.234 1.00 0.00 N ATOM 1413 CA ASN A 97 98.818 -5.959 1.052 1.00 0.00 C ATOM 1414 C ASN A 97 98.333 -4.528 0.810 1.00 0.00 C ATOM 1415 O ASN A 97 98.362 -3.694 1.694 1.00 0.00 O ATOM 1416 CB ASN A 97 100.256 -6.133 0.560 1.00 0.00 C ATOM 1417 CG ASN A 97 100.898 -7.318 1.271 1.00 0.00 C ATOM 1418 OD1 ASN A 97 100.282 -7.953 2.103 1.00 0.00 O ATOM 1419 ND2 ASN A 97 102.124 -7.645 0.974 1.00 0.00 N ATOM 0 H ASN A 97 98.490 -7.277 -0.594 1.00 0.00 H new ATOM 0 HA ASN A 97 98.728 -6.147 2.122 1.00 0.00 H new ATOM 0 HB2 ASN A 97 100.266 -6.294 -0.518 1.00 0.00 H new ATOM 0 HB3 ASN A 97 100.829 -5.226 0.752 1.00 0.00 H new ATOM 0 HD21 ASN A 97 102.568 -8.436 1.441 1.00 0.00 H new ATOM 0 HD22 ASN A 97 102.639 -7.110 0.275 1.00 0.00 H new ATOM 1426 N CYS A 98 97.884 -4.238 -0.381 1.00 0.00 N ATOM 1427 CA CYS A 98 97.392 -2.862 -0.680 1.00 0.00 C ATOM 1428 C CYS A 98 96.105 -2.581 0.101 1.00 0.00 C ATOM 1429 O CYS A 98 95.953 -1.545 0.716 1.00 0.00 O ATOM 1430 CB CYS A 98 97.112 -2.858 -2.184 1.00 0.00 C ATOM 1431 SG CYS A 98 98.624 -3.278 -3.088 1.00 0.00 S ATOM 0 H CYS A 98 97.836 -4.894 -1.160 1.00 0.00 H new ATOM 0 HA CYS A 98 98.114 -2.096 -0.396 1.00 0.00 H new ATOM 0 HB2 CYS A 98 96.325 -3.575 -2.419 1.00 0.00 H new ATOM 0 HB3 CYS A 98 96.752 -1.877 -2.494 1.00 0.00 H new ATOM 1436 N ASP A 99 95.177 -3.499 0.077 1.00 0.00 N ATOM 1437 CA ASP A 99 93.898 -3.288 0.814 1.00 0.00 C ATOM 1438 C ASP A 99 94.145 -3.311 2.324 1.00 0.00 C ATOM 1439 O ASP A 99 93.569 -2.542 3.068 1.00 0.00 O ATOM 1440 CB ASP A 99 93.006 -4.460 0.402 1.00 0.00 C ATOM 1441 CG ASP A 99 92.512 -4.250 -1.030 1.00 0.00 C ATOM 1442 OD1 ASP A 99 93.200 -3.577 -1.780 1.00 0.00 O ATOM 1443 OD2 ASP A 99 91.455 -4.766 -1.353 1.00 0.00 O ATOM 0 H ASP A 99 95.249 -4.386 -0.421 1.00 0.00 H new ATOM 0 HA ASP A 99 93.443 -2.325 0.581 1.00 0.00 H new ATOM 0 HB2 ASP A 99 93.562 -5.395 0.472 1.00 0.00 H new ATOM 0 HB3 ASP A 99 92.158 -4.541 1.082 1.00 0.00 H new ATOM 1448 N ARG A 100 94.996 -4.186 2.784 1.00 0.00 N ATOM 1449 CA ARG A 100 95.275 -4.254 4.247 1.00 0.00 C ATOM 1450 C ARG A 100 95.981 -2.978 4.705 1.00 0.00 C ATOM 1451 O ARG A 100 95.504 -2.270 5.569 1.00 0.00 O ATOM 1452 CB ARG A 100 96.190 -5.465 4.422 1.00 0.00 C ATOM 1453 CG ARG A 100 96.476 -5.675 5.910 1.00 0.00 C ATOM 1454 CD ARG A 100 97.892 -6.227 6.082 1.00 0.00 C ATOM 1455 NE ARG A 100 97.734 -7.697 6.053 1.00 0.00 N ATOM 1456 CZ ARG A 100 98.783 -8.472 6.109 1.00 0.00 C ATOM 1457 NH1 ARG A 100 99.450 -8.745 5.022 1.00 0.00 N ATOM 1458 NH2 ARG A 100 99.164 -8.972 7.251 1.00 0.00 N ATOM 0 H ARG A 100 95.510 -4.856 2.212 1.00 0.00 H new ATOM 0 HA ARG A 100 94.364 -4.346 4.838 1.00 0.00 H new ATOM 0 HB2 ARG A 100 95.719 -6.354 4.002 1.00 0.00 H new ATOM 0 HB3 ARG A 100 97.123 -5.311 3.879 1.00 0.00 H new ATOM 0 HG2 ARG A 100 96.373 -4.733 6.448 1.00 0.00 H new ATOM 0 HG3 ARG A 100 95.750 -6.367 6.337 1.00 0.00 H new ATOM 0 HD2 ARG A 100 98.549 -5.885 5.283 1.00 0.00 H new ATOM 0 HD3 ARG A 100 98.334 -5.896 7.022 1.00 0.00 H new ATOM 0 HE ARG A 100 96.802 -8.107 5.989 1.00 0.00 H new ATOM 0 HH11 ARG A 100 99.152 -8.353 4.129 1.00 0.00 H new ATOM 0 HH12 ARG A 100 100.270 -9.350 5.065 1.00 0.00 H new ATOM 0 HH21 ARG A 100 98.642 -8.758 8.101 1.00 0.00 H new ATOM 0 HH22 ARG A 100 99.984 -9.578 7.295 1.00 0.00 H new ATOM 1472 N ASN A 101 97.110 -2.675 4.129 1.00 0.00 N ATOM 1473 CA ASN A 101 97.838 -1.440 4.530 1.00 0.00 C ATOM 1474 C ASN A 101 96.902 -0.236 4.426 1.00 0.00 C ATOM 1475 O ASN A 101 97.092 0.774 5.075 1.00 0.00 O ATOM 1476 CB ASN A 101 98.991 -1.317 3.535 1.00 0.00 C ATOM 1477 CG ASN A 101 100.214 -2.049 4.077 1.00 0.00 C ATOM 1478 OD1 ASN A 101 100.187 -2.581 5.168 1.00 0.00 O ATOM 1479 ND2 ASN A 101 101.293 -2.098 3.350 1.00 0.00 N ATOM 0 H ASN A 101 97.559 -3.228 3.399 1.00 0.00 H new ATOM 0 HA ASN A 101 98.199 -1.480 5.558 1.00 0.00 H new ATOM 0 HB2 ASN A 101 98.700 -1.737 2.572 1.00 0.00 H new ATOM 0 HB3 ASN A 101 99.228 -0.267 3.366 1.00 0.00 H new ATOM 0 HD21 ASN A 101 102.120 -2.585 3.696 1.00 0.00 H new ATOM 0 HD22 ASN A 101 101.312 -1.650 2.434 1.00 0.00 H new ATOM 1486 N ALA A 102 95.886 -0.342 3.615 1.00 0.00 N ATOM 1487 CA ALA A 102 94.924 0.786 3.464 1.00 0.00 C ATOM 1488 C ALA A 102 94.025 0.871 4.700 1.00 0.00 C ATOM 1489 O ALA A 102 93.890 1.911 5.312 1.00 0.00 O ATOM 1490 CB ALA A 102 94.100 0.438 2.225 1.00 0.00 C ATOM 0 H ALA A 102 95.680 -1.165 3.048 1.00 0.00 H new ATOM 0 HA ALA A 102 95.423 1.750 3.362 1.00 0.00 H new ATOM 0 HB1 ALA A 102 93.365 1.223 2.045 1.00 0.00 H new ATOM 0 HB2 ALA A 102 94.760 0.353 1.361 1.00 0.00 H new ATOM 0 HB3 ALA A 102 93.587 -0.510 2.384 1.00 0.00 H new ATOM 1496 N ALA A 103 93.413 -0.220 5.072 1.00 0.00 N ATOM 1497 CA ALA A 103 92.525 -0.206 6.271 1.00 0.00 C ATOM 1498 C ALA A 103 93.348 0.066 7.532 1.00 0.00 C ATOM 1499 O ALA A 103 92.864 0.633 8.491 1.00 0.00 O ATOM 1500 CB ALA A 103 91.909 -1.605 6.323 1.00 0.00 C ATOM 0 H ALA A 103 93.489 -1.120 4.598 1.00 0.00 H new ATOM 0 HA ALA A 103 91.764 0.572 6.214 1.00 0.00 H new ATOM 0 HB1 ALA A 103 91.240 -1.676 7.181 1.00 0.00 H new ATOM 0 HB2 ALA A 103 91.346 -1.789 5.408 1.00 0.00 H new ATOM 0 HB3 ALA A 103 92.701 -2.348 6.418 1.00 0.00 H new ATOM 1506 N ILE A 104 94.591 -0.334 7.538 1.00 0.00 N ATOM 1507 CA ILE A 104 95.442 -0.098 8.739 1.00 0.00 C ATOM 1508 C ILE A 104 95.751 1.395 8.884 1.00 0.00 C ATOM 1509 O ILE A 104 95.832 1.918 9.977 1.00 0.00 O ATOM 1510 CB ILE A 104 96.725 -0.888 8.479 1.00 0.00 C ATOM 1511 CG1 ILE A 104 96.395 -2.380 8.408 1.00 0.00 C ATOM 1512 CG2 ILE A 104 97.720 -0.639 9.615 1.00 0.00 C ATOM 1513 CD1 ILE A 104 97.570 -3.132 7.782 1.00 0.00 C ATOM 0 H ILE A 104 95.053 -0.813 6.765 1.00 0.00 H new ATOM 0 HA ILE A 104 94.951 -0.411 9.660 1.00 0.00 H new ATOM 0 HB ILE A 104 97.166 -0.566 7.536 1.00 0.00 H new ATOM 0 HG12 ILE A 104 96.192 -2.767 9.407 1.00 0.00 H new ATOM 0 HG13 ILE A 104 95.493 -2.536 7.817 1.00 0.00 H new ATOM 0 HG21 ILE A 104 98.634 -1.203 9.428 1.00 0.00 H new ATOM 0 HG22 ILE A 104 97.954 0.424 9.667 1.00 0.00 H new ATOM 0 HG23 ILE A 104 97.282 -0.961 10.560 1.00 0.00 H new ATOM 0 HD11 ILE A 104 97.336 -4.195 7.731 1.00 0.00 H new ATOM 0 HD12 ILE A 104 97.751 -2.752 6.777 1.00 0.00 H new ATOM 0 HD13 ILE A 104 98.462 -2.986 8.391 1.00 0.00 H new ATOM 1525 N CYS A 105 95.923 2.085 7.789 1.00 0.00 N ATOM 1526 CA CYS A 105 96.227 3.542 7.873 1.00 0.00 C ATOM 1527 C CYS A 105 95.017 4.292 8.438 1.00 0.00 C ATOM 1528 O CYS A 105 95.143 5.130 9.308 1.00 0.00 O ATOM 1529 CB CYS A 105 96.501 3.973 6.432 1.00 0.00 C ATOM 1530 SG CYS A 105 97.484 5.496 6.430 1.00 0.00 S ATOM 0 H CYS A 105 95.866 1.705 6.844 1.00 0.00 H new ATOM 0 HA CYS A 105 97.073 3.756 8.527 1.00 0.00 H new ATOM 0 HB2 CYS A 105 97.033 3.184 5.901 1.00 0.00 H new ATOM 0 HB3 CYS A 105 95.561 4.134 5.905 1.00 0.00 H new ATOM 1535 N PHE A 106 93.841 3.993 7.951 1.00 0.00 N ATOM 1536 CA PHE A 106 92.628 4.679 8.457 1.00 0.00 C ATOM 1537 C PHE A 106 92.525 4.507 9.972 1.00 0.00 C ATOM 1538 O PHE A 106 92.173 5.420 10.692 1.00 0.00 O ATOM 1539 CB PHE A 106 91.457 3.980 7.765 1.00 0.00 C ATOM 1540 CG PHE A 106 91.612 4.078 6.267 1.00 0.00 C ATOM 1541 CD1 PHE A 106 92.150 5.235 5.689 1.00 0.00 C ATOM 1542 CD2 PHE A 106 91.214 3.010 5.454 1.00 0.00 C ATOM 1543 CE1 PHE A 106 92.290 5.321 4.299 1.00 0.00 C ATOM 1544 CE2 PHE A 106 91.354 3.097 4.064 1.00 0.00 C ATOM 1545 CZ PHE A 106 91.892 4.252 3.486 1.00 0.00 C ATOM 0 H PHE A 106 93.674 3.300 7.222 1.00 0.00 H new ATOM 0 HA PHE A 106 92.643 5.749 8.252 1.00 0.00 H new ATOM 0 HB2 PHE A 106 91.417 2.934 8.067 1.00 0.00 H new ATOM 0 HB3 PHE A 106 90.516 4.437 8.073 1.00 0.00 H new ATOM 0 HD1 PHE A 106 92.456 6.060 6.315 1.00 0.00 H new ATOM 0 HD2 PHE A 106 90.799 2.118 5.900 1.00 0.00 H new ATOM 0 HE1 PHE A 106 92.705 6.213 3.853 1.00 0.00 H new ATOM 0 HE2 PHE A 106 91.047 2.273 3.438 1.00 0.00 H new ATOM 0 HZ PHE A 106 92.000 4.319 2.414 1.00 0.00 H new ATOM 1555 N SER A 107 92.825 3.334 10.454 1.00 0.00 N ATOM 1556 CA SER A 107 92.742 3.079 11.923 1.00 0.00 C ATOM 1557 C SER A 107 94.002 3.590 12.629 1.00 0.00 C ATOM 1558 O SER A 107 94.060 3.654 13.840 1.00 0.00 O ATOM 1559 CB SER A 107 92.635 1.561 12.052 1.00 0.00 C ATOM 1560 OG SER A 107 93.897 1.030 12.434 1.00 0.00 O ATOM 0 H SER A 107 93.125 2.536 9.894 1.00 0.00 H new ATOM 0 HA SER A 107 91.896 3.591 12.382 1.00 0.00 H new ATOM 0 HB2 SER A 107 91.879 1.300 12.793 1.00 0.00 H new ATOM 0 HB3 SER A 107 92.317 1.126 11.105 1.00 0.00 H new ATOM 0 HG SER A 107 94.549 1.189 11.719 1.00 0.00 H new ATOM 1566 N LYS A 108 95.008 3.955 11.883 1.00 0.00 N ATOM 1567 CA LYS A 108 96.259 4.461 12.518 1.00 0.00 C ATOM 1568 C LYS A 108 96.277 5.991 12.494 1.00 0.00 C ATOM 1569 O LYS A 108 97.170 6.620 13.026 1.00 0.00 O ATOM 1570 CB LYS A 108 97.396 3.896 11.666 1.00 0.00 C ATOM 1571 CG LYS A 108 97.494 2.384 11.881 1.00 0.00 C ATOM 1572 CD LYS A 108 98.625 2.077 12.865 1.00 0.00 C ATOM 1573 CE LYS A 108 99.477 0.928 12.320 1.00 0.00 C ATOM 1574 NZ LYS A 108 98.974 -0.292 13.014 1.00 0.00 N ATOM 0 H LYS A 108 95.019 3.925 10.863 1.00 0.00 H new ATOM 0 HA LYS A 108 96.346 4.157 13.561 1.00 0.00 H new ATOM 0 HB2 LYS A 108 97.218 4.113 10.613 1.00 0.00 H new ATOM 0 HB3 LYS A 108 98.338 4.374 11.935 1.00 0.00 H new ATOM 0 HG2 LYS A 108 96.549 1.999 12.266 1.00 0.00 H new ATOM 0 HG3 LYS A 108 97.679 1.883 10.931 1.00 0.00 H new ATOM 0 HD2 LYS A 108 99.242 2.963 13.014 1.00 0.00 H new ATOM 0 HD3 LYS A 108 98.213 1.809 13.838 1.00 0.00 H new ATOM 0 HE2 LYS A 108 99.372 0.838 11.239 1.00 0.00 H new ATOM 0 HE3 LYS A 108 100.535 1.090 12.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 99.511 -1.122 12.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 99.093 -0.181 14.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 97.966 -0.425 12.795 1.00 0.00 H new ATOM 1588 N VAL A 109 95.294 6.596 11.883 1.00 0.00 N ATOM 1589 CA VAL A 109 95.256 8.084 11.828 1.00 0.00 C ATOM 1590 C VAL A 109 93.851 8.588 12.174 1.00 0.00 C ATOM 1591 O VAL A 109 92.890 7.851 12.098 1.00 0.00 O ATOM 1592 CB VAL A 109 95.616 8.437 10.385 1.00 0.00 C ATOM 1593 CG1 VAL A 109 96.935 7.761 10.006 1.00 0.00 C ATOM 1594 CG2 VAL A 109 94.511 7.949 9.447 1.00 0.00 C ATOM 0 H VAL A 109 94.517 6.124 11.420 1.00 0.00 H new ATOM 0 HA VAL A 109 95.942 8.543 12.540 1.00 0.00 H new ATOM 0 HB VAL A 109 95.720 9.518 10.295 1.00 0.00 H new ATOM 0 HG11 VAL A 109 97.191 8.013 8.977 1.00 0.00 H new ATOM 0 HG12 VAL A 109 97.726 8.107 10.672 1.00 0.00 H new ATOM 0 HG13 VAL A 109 96.830 6.680 10.099 1.00 0.00 H new ATOM 0 HG21 VAL A 109 94.769 8.201 8.418 1.00 0.00 H new ATOM 0 HG22 VAL A 109 94.406 6.868 9.540 1.00 0.00 H new ATOM 0 HG23 VAL A 109 93.569 8.429 9.713 1.00 0.00 H new ATOM 1604 N PRO A 110 93.787 9.837 12.551 1.00 0.00 N ATOM 1605 CA PRO A 110 92.492 10.458 12.923 1.00 0.00 C ATOM 1606 C PRO A 110 91.643 10.728 11.677 1.00 0.00 C ATOM 1607 O PRO A 110 92.129 10.696 10.563 1.00 0.00 O ATOM 1608 CB PRO A 110 92.904 11.767 13.592 1.00 0.00 C ATOM 1609 CG PRO A 110 94.252 12.087 13.029 1.00 0.00 C ATOM 1610 CD PRO A 110 94.907 10.778 12.666 1.00 0.00 C ATOM 0 HA PRO A 110 91.885 9.823 13.569 1.00 0.00 H new ATOM 0 HB2 PRO A 110 92.189 12.561 13.377 1.00 0.00 H new ATOM 0 HB3 PRO A 110 92.945 11.659 14.676 1.00 0.00 H new ATOM 0 HG2 PRO A 110 94.160 12.727 12.152 1.00 0.00 H new ATOM 0 HG3 PRO A 110 94.854 12.629 13.758 1.00 0.00 H new ATOM 0 HD2 PRO A 110 95.460 10.855 11.730 1.00 0.00 H new ATOM 0 HD3 PRO A 110 95.616 10.462 13.431 1.00 0.00 H new ATOM 1618 N TYR A 111 90.378 10.996 11.858 1.00 0.00 N ATOM 1619 CA TYR A 111 89.496 11.269 10.687 1.00 0.00 C ATOM 1620 C TYR A 111 88.835 12.642 10.836 1.00 0.00 C ATOM 1621 O TYR A 111 88.206 12.933 11.833 1.00 0.00 O ATOM 1622 CB TYR A 111 88.445 10.159 10.716 1.00 0.00 C ATOM 1623 CG TYR A 111 87.281 10.540 9.830 1.00 0.00 C ATOM 1624 CD1 TYR A 111 87.482 10.746 8.460 1.00 0.00 C ATOM 1625 CD2 TYR A 111 86.002 10.688 10.379 1.00 0.00 C ATOM 1626 CE1 TYR A 111 86.406 11.099 7.639 1.00 0.00 C ATOM 1627 CE2 TYR A 111 84.924 11.041 9.557 1.00 0.00 C ATOM 1628 CZ TYR A 111 85.126 11.247 8.187 1.00 0.00 C ATOM 1629 OH TYR A 111 84.064 11.596 7.377 1.00 0.00 O ATOM 0 H TYR A 111 89.917 11.038 12.767 1.00 0.00 H new ATOM 0 HA TYR A 111 90.047 11.282 9.746 1.00 0.00 H new ATOM 0 HB2 TYR A 111 88.883 9.221 10.375 1.00 0.00 H new ATOM 0 HB3 TYR A 111 88.100 9.997 11.737 1.00 0.00 H new ATOM 0 HD1 TYR A 111 88.469 10.632 8.037 1.00 0.00 H new ATOM 0 HD2 TYR A 111 85.846 10.530 11.436 1.00 0.00 H new ATOM 0 HE1 TYR A 111 86.562 11.257 6.582 1.00 0.00 H new ATOM 0 HE2 TYR A 111 83.937 11.154 9.980 1.00 0.00 H new ATOM 0 HH TYR A 111 83.835 10.842 6.794 1.00 0.00 H new ATOM 1639 N ASN A 112 88.972 13.487 9.851 1.00 0.00 N ATOM 1640 CA ASN A 112 88.351 14.840 9.937 1.00 0.00 C ATOM 1641 C ASN A 112 86.967 14.828 9.281 1.00 0.00 C ATOM 1642 O ASN A 112 86.825 15.099 8.106 1.00 0.00 O ATOM 1643 CB ASN A 112 89.298 15.763 9.169 1.00 0.00 C ATOM 1644 CG ASN A 112 90.616 15.895 9.935 1.00 0.00 C ATOM 1645 OD1 ASN A 112 90.734 16.708 10.830 1.00 0.00 O ATOM 1646 ND2 ASN A 112 91.619 15.123 9.617 1.00 0.00 N ATOM 0 H ASN A 112 89.487 13.299 8.991 1.00 0.00 H new ATOM 0 HA ASN A 112 88.213 15.165 10.968 1.00 0.00 H new ATOM 0 HB2 ASN A 112 89.483 15.363 8.172 1.00 0.00 H new ATOM 0 HB3 ASN A 112 88.841 16.744 9.039 1.00 0.00 H new ATOM 0 HD21 ASN A 112 92.503 15.202 10.120 1.00 0.00 H new ATOM 0 HD22 ASN A 112 91.519 14.441 8.865 1.00 0.00 H new ATOM 1653 N LYS A 113 85.945 14.522 10.033 1.00 0.00 N ATOM 1654 CA LYS A 113 84.574 14.501 9.449 1.00 0.00 C ATOM 1655 C LYS A 113 84.299 15.820 8.726 1.00 0.00 C ATOM 1656 O LYS A 113 83.451 15.902 7.861 1.00 0.00 O ATOM 1657 CB LYS A 113 83.636 14.340 10.643 1.00 0.00 C ATOM 1658 CG LYS A 113 83.811 15.529 11.589 1.00 0.00 C ATOM 1659 CD LYS A 113 82.611 15.612 12.534 1.00 0.00 C ATOM 1660 CE LYS A 113 82.666 16.926 13.317 1.00 0.00 C ATOM 1661 NZ LYS A 113 81.242 17.281 13.572 1.00 0.00 N ATOM 0 H LYS A 113 86.000 14.286 11.024 1.00 0.00 H new ATOM 0 HA LYS A 113 84.443 13.700 8.721 1.00 0.00 H new ATOM 0 HB2 LYS A 113 82.602 14.281 10.302 1.00 0.00 H new ATOM 0 HB3 LYS A 113 83.853 13.409 11.167 1.00 0.00 H new ATOM 0 HG2 LYS A 113 84.731 15.418 12.162 1.00 0.00 H new ATOM 0 HG3 LYS A 113 83.901 16.452 11.017 1.00 0.00 H new ATOM 0 HD2 LYS A 113 81.683 15.554 11.966 1.00 0.00 H new ATOM 0 HD3 LYS A 113 82.617 14.766 13.222 1.00 0.00 H new ATOM 0 HE2 LYS A 113 83.217 16.807 14.250 1.00 0.00 H new ATOM 0 HE3 LYS A 113 83.171 17.705 12.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 81.197 18.172 14.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 80.745 17.394 12.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 80.789 16.524 14.123 1.00 0.00 H new ATOM 1675 N GLU A 114 85.013 16.855 9.075 1.00 0.00 N ATOM 1676 CA GLU A 114 84.801 18.166 8.413 1.00 0.00 C ATOM 1677 C GLU A 114 85.260 18.095 6.957 1.00 0.00 C ATOM 1678 O GLU A 114 84.653 18.664 6.073 1.00 0.00 O ATOM 1679 CB GLU A 114 85.664 19.150 9.203 1.00 0.00 C ATOM 1680 CG GLU A 114 84.935 20.490 9.325 1.00 0.00 C ATOM 1681 CD GLU A 114 85.950 21.597 9.617 1.00 0.00 C ATOM 1682 OE1 GLU A 114 87.132 21.350 9.442 1.00 0.00 O ATOM 1683 OE2 GLU A 114 85.528 22.672 10.012 1.00 0.00 O ATOM 0 H GLU A 114 85.737 16.845 9.794 1.00 0.00 H new ATOM 0 HA GLU A 114 83.753 18.464 8.402 1.00 0.00 H new ATOM 0 HB2 GLU A 114 85.876 18.749 10.194 1.00 0.00 H new ATOM 0 HB3 GLU A 114 86.623 19.290 8.704 1.00 0.00 H new ATOM 0 HG2 GLU A 114 84.397 20.709 8.403 1.00 0.00 H new ATOM 0 HG3 GLU A 114 84.194 20.442 10.123 1.00 0.00 H new ATOM 1690 N HIS A 115 86.330 17.394 6.706 1.00 0.00 N ATOM 1691 CA HIS A 115 86.837 17.278 5.311 1.00 0.00 C ATOM 1692 C HIS A 115 86.029 16.227 4.545 1.00 0.00 C ATOM 1693 O HIS A 115 86.316 15.919 3.405 1.00 0.00 O ATOM 1694 CB HIS A 115 88.291 16.830 5.460 1.00 0.00 C ATOM 1695 CG HIS A 115 89.148 18.014 5.817 1.00 0.00 C ATOM 1696 ND1 HIS A 115 90.532 17.939 5.853 1.00 0.00 N ATOM 1697 CD2 HIS A 115 88.835 19.306 6.157 1.00 0.00 C ATOM 1698 CE1 HIS A 115 90.995 19.153 6.203 1.00 0.00 C ATOM 1699 NE2 HIS A 115 90.002 20.024 6.400 1.00 0.00 N ATOM 0 H HIS A 115 86.876 16.895 7.408 1.00 0.00 H new ATOM 0 HA HIS A 115 86.751 18.213 4.757 1.00 0.00 H new ATOM 0 HB2 HIS A 115 88.369 16.065 6.233 1.00 0.00 H new ATOM 0 HB3 HIS A 115 88.641 16.381 4.530 1.00 0.00 H new ATOM 0 HD2 HIS A 115 87.834 19.705 6.226 1.00 0.00 H new ATOM 0 HE1 HIS A 115 92.042 19.394 6.311 1.00 0.00 H new ATOM 0 HE2 HIS A 115 90.082 21.004 6.670 1.00 0.00 H new ATOM 1707 N LYS A 116 85.020 15.673 5.162 1.00 0.00 N ATOM 1708 CA LYS A 116 84.195 14.648 4.477 1.00 0.00 C ATOM 1709 C LYS A 116 83.427 15.282 3.314 1.00 0.00 C ATOM 1710 O LYS A 116 82.996 16.415 3.389 1.00 0.00 O ATOM 1711 CB LYS A 116 83.239 14.163 5.562 1.00 0.00 C ATOM 1712 CG LYS A 116 82.111 13.364 4.928 1.00 0.00 C ATOM 1713 CD LYS A 116 81.012 13.121 5.965 1.00 0.00 C ATOM 1714 CE LYS A 116 80.593 11.651 5.931 1.00 0.00 C ATOM 1715 NZ LYS A 116 80.239 11.318 7.339 1.00 0.00 N ATOM 0 H LYS A 116 84.734 15.891 6.116 1.00 0.00 H new ATOM 0 HA LYS A 116 84.785 13.837 4.051 1.00 0.00 H new ATOM 0 HB2 LYS A 116 83.775 13.546 6.283 1.00 0.00 H new ATOM 0 HB3 LYS A 116 82.833 15.013 6.110 1.00 0.00 H new ATOM 0 HG2 LYS A 116 81.705 13.904 4.072 1.00 0.00 H new ATOM 0 HG3 LYS A 116 82.490 12.413 4.555 1.00 0.00 H new ATOM 0 HD2 LYS A 116 81.371 13.385 6.960 1.00 0.00 H new ATOM 0 HD3 LYS A 116 80.154 13.760 5.757 1.00 0.00 H new ATOM 0 HE2 LYS A 116 79.745 11.498 5.264 1.00 0.00 H new ATOM 0 HE3 LYS A 116 81.403 11.018 5.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 80.138 10.288 7.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 80.990 11.655 7.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 79.341 11.779 7.589 1.00 0.00 H new ATOM 1729 N ASN A 117 83.255 14.564 2.237 1.00 0.00 N ATOM 1730 CA ASN A 117 82.518 15.133 1.074 1.00 0.00 C ATOM 1731 C ASN A 117 82.972 16.572 0.823 1.00 0.00 C ATOM 1732 O ASN A 117 82.175 17.486 0.746 1.00 0.00 O ATOM 1733 CB ASN A 117 81.044 15.092 1.480 1.00 0.00 C ATOM 1734 CG ASN A 117 80.653 13.658 1.840 1.00 0.00 C ATOM 1735 OD1 ASN A 117 79.905 13.441 2.888 1.00 0.00 O flip ATOM 1736 ND2 ASN A 117 81.032 12.725 1.162 1.00 0.00 N flip ATOM 0 H ASN A 117 83.593 13.610 2.113 1.00 0.00 H new ATOM 0 HA ASN A 117 82.698 14.578 0.153 1.00 0.00 H new ATOM 0 HB2 ASN A 117 80.872 15.751 2.331 1.00 0.00 H new ATOM 0 HB3 ASN A 117 80.421 15.456 0.663 1.00 0.00 H new ATOM 0 HD21 ASN A 117 81.616 12.894 0.343 1.00 0.00 H new ATOM 0 HD22 ASN A 117 80.766 11.772 1.411 1.00 0.00 H new ATOM 1743 N LEU A 118 84.253 16.776 0.696 1.00 0.00 N ATOM 1744 CA LEU A 118 84.787 18.122 0.455 1.00 0.00 C ATOM 1745 C LEU A 118 84.465 18.549 -0.978 1.00 0.00 C ATOM 1746 O LEU A 118 83.959 17.781 -1.772 1.00 0.00 O ATOM 1747 CB LEU A 118 86.286 17.923 0.694 1.00 0.00 C ATOM 1748 CG LEU A 118 87.130 18.844 -0.177 1.00 0.00 C ATOM 1749 CD1 LEU A 118 87.161 20.250 0.426 1.00 0.00 C ATOM 1750 CD2 LEU A 118 88.557 18.299 -0.250 1.00 0.00 C ATOM 0 H LEU A 118 84.959 16.042 0.752 1.00 0.00 H new ATOM 0 HA LEU A 118 84.373 18.908 1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 118 86.513 18.108 1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 118 86.551 16.886 0.488 1.00 0.00 H new ATOM 0 HG LEU A 118 86.696 18.890 -1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 118 87.767 20.902 -0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 118 86.146 20.643 0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 118 87.592 20.208 1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 118 89.166 18.955 -0.873 1.00 0.00 H new ATOM 0 HD22 LEU A 118 88.981 18.254 0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 118 88.543 17.299 -0.683 1.00 0.00 H new ATOM 1762 N ASP A 119 84.757 19.766 -1.307 1.00 0.00 N ATOM 1763 CA ASP A 119 84.475 20.262 -2.685 1.00 0.00 C ATOM 1764 C ASP A 119 85.591 19.825 -3.635 1.00 0.00 C ATOM 1765 O ASP A 119 86.737 20.194 -3.475 1.00 0.00 O ATOM 1766 CB ASP A 119 84.442 21.785 -2.562 1.00 0.00 C ATOM 1767 CG ASP A 119 83.682 22.378 -3.749 1.00 0.00 C ATOM 1768 OD1 ASP A 119 82.690 21.787 -4.145 1.00 0.00 O ATOM 1769 OD2 ASP A 119 84.103 23.410 -4.241 1.00 0.00 O ATOM 0 H ASP A 119 85.182 20.450 -0.681 1.00 0.00 H new ATOM 0 HA ASP A 119 83.540 19.868 -3.084 1.00 0.00 H new ATOM 0 HB2 ASP A 119 83.961 22.074 -1.628 1.00 0.00 H new ATOM 0 HB3 ASP A 119 85.458 22.180 -2.533 1.00 0.00 H new ATOM 1774 N LYS A 120 85.263 19.038 -4.620 1.00 0.00 N ATOM 1775 CA LYS A 120 86.301 18.571 -5.579 1.00 0.00 C ATOM 1776 C LYS A 120 87.187 19.740 -6.019 1.00 0.00 C ATOM 1777 O LYS A 120 88.313 19.554 -6.438 1.00 0.00 O ATOM 1778 CB LYS A 120 85.520 18.010 -6.767 1.00 0.00 C ATOM 1779 CG LYS A 120 84.985 16.621 -6.414 1.00 0.00 C ATOM 1780 CD LYS A 120 83.480 16.704 -6.144 1.00 0.00 C ATOM 1781 CE LYS A 120 83.106 15.713 -5.039 1.00 0.00 C ATOM 1782 NZ LYS A 120 81.889 15.016 -5.543 1.00 0.00 N ATOM 0 H LYS A 120 84.319 18.697 -4.803 1.00 0.00 H new ATOM 0 HA LYS A 120 86.962 17.825 -5.138 1.00 0.00 H new ATOM 0 HB2 LYS A 120 84.695 18.676 -7.021 1.00 0.00 H new ATOM 0 HB3 LYS A 120 86.164 17.951 -7.645 1.00 0.00 H new ATOM 0 HG2 LYS A 120 85.180 15.926 -7.231 1.00 0.00 H new ATOM 0 HG3 LYS A 120 85.502 16.234 -5.536 1.00 0.00 H new ATOM 0 HD2 LYS A 120 83.208 17.717 -5.847 1.00 0.00 H new ATOM 0 HD3 LYS A 120 82.923 16.479 -7.054 1.00 0.00 H new ATOM 0 HE2 LYS A 120 83.915 15.008 -4.851 1.00 0.00 H new ATOM 0 HE3 LYS A 120 82.906 16.227 -4.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 81.572 14.319 -4.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 81.133 15.712 -5.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 82.112 14.530 -6.435 1.00 0.00 H new ATOM 1796 N LYS A 121 86.690 20.943 -5.929 1.00 0.00 N ATOM 1797 CA LYS A 121 87.508 22.119 -6.344 1.00 0.00 C ATOM 1798 C LYS A 121 88.720 22.270 -5.434 1.00 0.00 C ATOM 1799 O LYS A 121 89.667 22.967 -5.741 1.00 0.00 O ATOM 1800 CB LYS A 121 86.583 23.316 -6.188 1.00 0.00 C ATOM 1801 CG LYS A 121 86.065 23.730 -7.558 1.00 0.00 C ATOM 1802 CD LYS A 121 85.635 25.197 -7.521 1.00 0.00 C ATOM 1803 CE LYS A 121 84.107 25.281 -7.485 1.00 0.00 C ATOM 1804 NZ LYS A 121 83.714 25.777 -8.834 1.00 0.00 N ATOM 0 H LYS A 121 85.755 21.163 -5.587 1.00 0.00 H new ATOM 0 HA LYS A 121 87.884 22.017 -7.362 1.00 0.00 H new ATOM 0 HB2 LYS A 121 85.750 23.064 -5.532 1.00 0.00 H new ATOM 0 HB3 LYS A 121 87.116 24.145 -5.722 1.00 0.00 H new ATOM 0 HG2 LYS A 121 86.841 23.587 -8.310 1.00 0.00 H new ATOM 0 HG3 LYS A 121 85.223 23.101 -7.845 1.00 0.00 H new ATOM 0 HD2 LYS A 121 86.057 25.689 -6.645 1.00 0.00 H new ATOM 0 HD3 LYS A 121 86.018 25.721 -8.396 1.00 0.00 H new ATOM 0 HE2 LYS A 121 83.663 24.307 -7.278 1.00 0.00 H new ATOM 0 HE3 LYS A 121 83.768 25.959 -6.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 82.679 25.860 -8.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 84.145 26.709 -9.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 84.044 25.109 -9.559 1.00 0.00 H new ATOM 1818 N ASN A 122 88.705 21.591 -4.337 1.00 0.00 N ATOM 1819 CA ASN A 122 89.859 21.644 -3.404 1.00 0.00 C ATOM 1820 C ASN A 122 90.740 20.437 -3.675 1.00 0.00 C ATOM 1821 O ASN A 122 91.843 20.315 -3.180 1.00 0.00 O ATOM 1822 CB ASN A 122 89.247 21.548 -2.013 1.00 0.00 C ATOM 1823 CG ASN A 122 88.976 22.951 -1.471 1.00 0.00 C ATOM 1824 OD1 ASN A 122 87.776 23.454 -1.571 1.00 0.00 O flip ATOM 1825 ND2 ASN A 122 89.865 23.596 -0.951 1.00 0.00 N flip ATOM 0 H ASN A 122 87.936 20.992 -4.037 1.00 0.00 H new ATOM 0 HA ASN A 122 90.463 22.545 -3.512 1.00 0.00 H new ATOM 0 HB2 ASN A 122 88.319 20.977 -2.052 1.00 0.00 H new ATOM 0 HB3 ASN A 122 89.922 21.014 -1.344 1.00 0.00 H new ATOM 0 HD21 ASN A 122 90.803 23.202 -0.873 1.00 0.00 H new ATOM 0 HD22 ASN A 122 89.674 24.531 -0.592 1.00 0.00 H new ATOM 1832 N CYS A 123 90.232 19.544 -4.465 1.00 0.00 N ATOM 1833 CA CYS A 123 90.980 18.312 -4.808 1.00 0.00 C ATOM 1834 C CYS A 123 91.718 18.491 -6.137 1.00 0.00 C ATOM 1835 O CYS A 123 92.393 19.497 -6.287 1.00 0.00 O ATOM 1836 CB CYS A 123 89.887 17.253 -4.928 1.00 0.00 C ATOM 1837 SG CYS A 123 89.638 16.438 -3.329 1.00 0.00 S ATOM 1838 OXT CYS A 123 91.598 17.619 -6.982 1.00 0.00 O ATOM 0 H CYS A 123 89.311 19.617 -4.897 1.00 0.00 H new ATOM 0 HA CYS A 123 91.740 18.050 -4.072 1.00 0.00 H new ATOM 0 HB2 CYS A 123 88.957 17.714 -5.259 1.00 0.00 H new ATOM 0 HB3 CYS A 123 90.164 16.516 -5.682 1.00 0.00 H new TER 1843 CYS A 123