USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 819 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 35:sc= 0.447! USER MOD Set 1.2: A 88 ASN : amide:sc= -2.23 K(o=-1.8,f=-6.2!) USER MOD Set 2.1: A 8 MET CE :methyl 156:sc= 0 (180deg=-0.332) USER MOD Set 2.2: A 73 TYR OH : rot -176:sc= -0.0786 USER MOD Single : A 4 GLN : amide:sc= -0.751 K(o=-0.75,f=-2.5!) USER MOD Single : A 6 ASN : amide:sc= -0.21 K(o=-0.21,f=-2.7!) USER MOD Single : A 10 LYS NZ :NH3+ -122:sc= 0.712 (180deg=-0.0849) USER MOD Single : A 12 LYS NZ :NH3+ 156:sc= 0.732 (180deg=-0.617!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -39:sc= 0.24 USER MOD Single : A 23 ASN : amide:sc= 0.276 K(o=0.28,f=-3.4!) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0.18) USER MOD Single : A 25 TYR OH : rot -166:sc= -0.867! USER MOD Single : A 28 TYR OH : rot 159:sc= 0.844 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0496 K(o=-0.05,f=-3!) USER MOD Single : A 47 THR OG1 : rot 91:sc= 0.412 USER MOD Single : A 48 HIS : no HD1:sc= -0.329 X(o=-0.33,f=-0.82) USER MOD Single : A 50 ASN : amide:sc= -0.919 X(o=-0.92,f=-0.56) USER MOD Single : A 52 TYR OH : rot -6:sc= 0.461 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.28) 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 180:sc= 0.0138 USER MOD Single : A 62 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.297) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.93 K(o=-1.9,f=-3.5!) USER MOD Single : A 72 ASN : amide:sc= -0.0884 X(o=-0.088,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= -0.164 USER MOD Single : A 76 SER OG : rot 52:sc= 0.0309 USER MOD Single : A 78 SER OG : rot 73:sc= 0.208 USER MOD Single : A 79 ASN : amide:sc= -1.32! C(o=-1.3!,f=-7.6!) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.142 F(o=-0.87,f=-0.14) 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= -1.91! C(o=-1.9!,f=-17!) USER MOD Single : A 97 ASN : amide:sc= -0.0254 K(o=-0.025,f=-1.8!) USER MOD Single : A 101 ASN : amide:sc= -0.0746 K(o=-0.075,f=-2.1!) USER MOD Single : A 107 SER OG : rot -33:sc= -0.676 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 TYR OH : rot 124:sc= 0.0146 USER MOD Single : A 112 ASN : amide:sc= -0.508 X(o=-0.51,f=-0.27) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 HIS : no HD1:sc= -0.073 K(o=-0.073,f=-0.71) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= -2.42! C(o=-2.4!,f=-4.4!) USER MOD Single : A 120 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.0762) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= -0.0442 X(o=-0.044,f=0) USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 2 86.339 -6.186 -4.030 1.00 0.00 N ATOM 14 CA LEU A 2 85.925 -4.855 -3.499 1.00 0.00 C ATOM 15 C LEU A 2 85.290 -5.007 -2.114 1.00 0.00 C ATOM 16 O LEU A 2 85.854 -4.604 -1.115 1.00 0.00 O ATOM 17 CB LEU A 2 84.900 -4.324 -4.503 1.00 0.00 C ATOM 18 CG LEU A 2 85.262 -2.890 -4.893 1.00 0.00 C ATOM 19 CD1 LEU A 2 84.194 -2.330 -5.833 1.00 0.00 C ATOM 20 CD2 LEU A 2 85.335 -2.022 -3.634 1.00 0.00 C ATOM 0 HA LEU A 2 86.772 -4.179 -3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 2 84.880 -4.959 -5.389 1.00 0.00 H new ATOM 0 HB3 LEU A 2 83.901 -4.353 -4.068 1.00 0.00 H new ATOM 0 HG LEU A 2 86.229 -2.885 -5.397 1.00 0.00 H new ATOM 0 HD11 LEU A 2 84.453 -1.308 -6.110 1.00 0.00 H new ATOM 0 HD12 LEU A 2 84.139 -2.947 -6.730 1.00 0.00 H new ATOM 0 HD13 LEU A 2 83.227 -2.335 -5.330 1.00 0.00 H new ATOM 0 HD21 LEU A 2 85.593 -1.000 -3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 2 84.368 -2.029 -3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 2 86.096 -2.419 -2.962 1.00 0.00 H new ATOM 32 N TRP A 3 84.120 -5.581 -2.044 1.00 0.00 N ATOM 33 CA TRP A 3 83.454 -5.751 -0.720 1.00 0.00 C ATOM 34 C TRP A 3 84.459 -6.270 0.315 1.00 0.00 C ATOM 35 O TRP A 3 84.324 -6.035 1.500 1.00 0.00 O ATOM 36 CB TRP A 3 82.330 -6.767 -0.964 1.00 0.00 C ATOM 37 CG TRP A 3 82.871 -8.163 -0.910 1.00 0.00 C ATOM 38 CD1 TRP A 3 83.824 -8.662 -1.732 1.00 0.00 C ATOM 39 CD2 TRP A 3 82.506 -9.245 -0.003 1.00 0.00 C ATOM 40 NE1 TRP A 3 84.065 -9.980 -1.387 1.00 0.00 N ATOM 41 CE2 TRP A 3 83.278 -10.385 -0.328 1.00 0.00 C ATOM 42 CE3 TRP A 3 81.588 -9.347 1.057 1.00 0.00 C ATOM 43 CZ2 TRP A 3 83.146 -11.583 0.374 1.00 0.00 C ATOM 44 CZ3 TRP A 3 81.452 -10.552 1.767 1.00 0.00 C ATOM 45 CH2 TRP A 3 82.229 -11.667 1.425 1.00 0.00 C ATOM 0 H TRP A 3 83.597 -5.939 -2.843 1.00 0.00 H new ATOM 0 HA TRP A 3 83.063 -4.813 -0.327 1.00 0.00 H new ATOM 0 HB2 TRP A 3 81.549 -6.643 -0.214 1.00 0.00 H new ATOM 0 HB3 TRP A 3 81.870 -6.585 -1.935 1.00 0.00 H new ATOM 0 HD1 TRP A 3 84.315 -8.120 -2.527 1.00 0.00 H new ATOM 0 HE1 TRP A 3 84.742 -10.580 -1.858 1.00 0.00 H new ATOM 0 HE3 TRP A 3 80.984 -8.494 1.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 83.748 -12.439 0.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 80.745 -10.619 2.581 1.00 0.00 H new ATOM 0 HH2 TRP A 3 82.119 -12.591 1.974 1.00 0.00 H new ATOM 56 N GLN A 4 85.468 -6.970 -0.127 1.00 0.00 N ATOM 57 CA GLN A 4 86.483 -7.501 0.827 1.00 0.00 C ATOM 58 C GLN A 4 87.165 -6.345 1.560 1.00 0.00 C ATOM 59 O GLN A 4 87.435 -6.418 2.743 1.00 0.00 O ATOM 60 CB GLN A 4 87.488 -8.252 -0.046 1.00 0.00 C ATOM 61 CG GLN A 4 87.050 -9.711 -0.191 1.00 0.00 C ATOM 62 CD GLN A 4 88.214 -10.542 -0.732 1.00 0.00 C ATOM 63 OE1 GLN A 4 88.847 -11.273 0.004 1.00 0.00 O ATOM 64 NE2 GLN A 4 88.527 -10.459 -1.996 1.00 0.00 N ATOM 0 H GLN A 4 85.633 -7.197 -1.108 1.00 0.00 H new ATOM 0 HA GLN A 4 86.044 -8.146 1.588 1.00 0.00 H new ATOM 0 HB2 GLN A 4 87.555 -7.782 -1.027 1.00 0.00 H new ATOM 0 HB3 GLN A 4 88.481 -8.202 0.400 1.00 0.00 H new ATOM 0 HG2 GLN A 4 86.727 -10.102 0.774 1.00 0.00 H new ATOM 0 HG3 GLN A 4 86.196 -9.780 -0.865 1.00 0.00 H new ATOM 0 HE21 GLN A 4 87.996 -9.845 -2.614 1.00 0.00 H new ATOM 0 HE22 GLN A 4 89.303 -11.008 -2.366 1.00 0.00 H new ATOM 73 N PHE A 5 87.443 -5.276 0.865 1.00 0.00 N ATOM 74 CA PHE A 5 88.105 -4.113 1.521 1.00 0.00 C ATOM 75 C PHE A 5 87.222 -3.571 2.648 1.00 0.00 C ATOM 76 O PHE A 5 87.631 -3.504 3.791 1.00 0.00 O ATOM 77 CB PHE A 5 88.264 -3.071 0.411 1.00 0.00 C ATOM 78 CG PHE A 5 89.221 -1.991 0.861 1.00 0.00 C ATOM 79 CD1 PHE A 5 90.392 -2.331 1.549 1.00 0.00 C ATOM 80 CD2 PHE A 5 88.936 -0.648 0.587 1.00 0.00 C ATOM 81 CE1 PHE A 5 91.277 -1.329 1.964 1.00 0.00 C ATOM 82 CE2 PHE A 5 89.821 0.354 1.002 1.00 0.00 C ATOM 83 CZ PHE A 5 90.991 0.014 1.690 1.00 0.00 C ATOM 0 H PHE A 5 87.241 -5.158 -0.128 1.00 0.00 H new ATOM 0 HA PHE A 5 89.063 -4.379 1.969 1.00 0.00 H new ATOM 0 HB2 PHE A 5 88.637 -3.546 -0.496 1.00 0.00 H new ATOM 0 HB3 PHE A 5 87.296 -2.634 0.167 1.00 0.00 H new ATOM 0 HD1 PHE A 5 90.613 -3.367 1.760 1.00 0.00 H new ATOM 0 HD2 PHE A 5 88.033 -0.385 0.055 1.00 0.00 H new ATOM 0 HE1 PHE A 5 92.180 -1.592 2.495 1.00 0.00 H new ATOM 0 HE2 PHE A 5 89.601 1.390 0.791 1.00 0.00 H new ATOM 0 HZ PHE A 5 91.674 0.788 2.010 1.00 0.00 H new ATOM 93 N ASN A 6 86.012 -3.191 2.340 1.00 0.00 N ATOM 94 CA ASN A 6 85.109 -2.662 3.402 1.00 0.00 C ATOM 95 C ASN A 6 85.127 -3.598 4.613 1.00 0.00 C ATOM 96 O ASN A 6 84.945 -3.179 5.739 1.00 0.00 O ATOM 97 CB ASN A 6 83.718 -2.631 2.765 1.00 0.00 C ATOM 98 CG ASN A 6 83.446 -1.236 2.200 1.00 0.00 C ATOM 99 OD1 ASN A 6 84.329 -0.403 2.152 1.00 0.00 O ATOM 100 ND2 ASN A 6 82.250 -0.943 1.767 1.00 0.00 N ATOM 0 H ASN A 6 85.611 -3.224 1.403 1.00 0.00 H new ATOM 0 HA ASN A 6 85.413 -1.676 3.754 1.00 0.00 H new ATOM 0 HB2 ASN A 6 83.653 -3.375 1.971 1.00 0.00 H new ATOM 0 HB3 ASN A 6 82.961 -2.889 3.506 1.00 0.00 H new ATOM 0 HD21 ASN A 6 82.058 -0.015 1.389 1.00 0.00 H new ATOM 0 HD22 ASN A 6 81.508 -1.642 1.807 1.00 0.00 H new ATOM 107 N GLY A 7 85.355 -4.865 4.390 1.00 0.00 N ATOM 108 CA GLY A 7 85.394 -5.828 5.525 1.00 0.00 C ATOM 109 C GLY A 7 86.670 -5.597 6.337 1.00 0.00 C ATOM 110 O GLY A 7 86.644 -5.547 7.551 1.00 0.00 O ATOM 0 H GLY A 7 85.516 -5.273 3.469 1.00 0.00 H new ATOM 0 HA2 GLY A 7 84.517 -5.697 6.159 1.00 0.00 H new ATOM 0 HA3 GLY A 7 85.367 -6.851 5.150 1.00 0.00 H new ATOM 114 N MET A 8 87.786 -5.453 5.676 1.00 0.00 N ATOM 115 CA MET A 8 89.062 -5.220 6.413 1.00 0.00 C ATOM 116 C MET A 8 88.930 -3.987 7.310 1.00 0.00 C ATOM 117 O MET A 8 89.426 -3.957 8.418 1.00 0.00 O ATOM 118 CB MET A 8 90.113 -4.985 5.328 1.00 0.00 C ATOM 119 CG MET A 8 90.406 -6.300 4.604 1.00 0.00 C ATOM 120 SD MET A 8 92.093 -6.262 3.945 1.00 0.00 S ATOM 121 CE MET A 8 92.035 -7.850 3.079 1.00 0.00 C ATOM 0 H MET A 8 87.870 -5.486 4.660 1.00 0.00 H new ATOM 0 HA MET A 8 89.327 -6.058 7.058 1.00 0.00 H new ATOM 0 HB2 MET A 8 89.757 -4.239 4.618 1.00 0.00 H new ATOM 0 HB3 MET A 8 91.027 -4.591 5.772 1.00 0.00 H new ATOM 0 HG2 MET A 8 90.291 -7.139 5.290 1.00 0.00 H new ATOM 0 HG3 MET A 8 89.691 -6.449 3.795 1.00 0.00 H new ATOM 0 HE1 MET A 8 92.770 -7.852 2.274 1.00 0.00 H new ATOM 0 HE2 MET A 8 92.261 -8.655 3.779 1.00 0.00 H new ATOM 0 HE3 MET A 8 91.039 -8.001 2.662 1.00 0.00 H new ATOM 131 N ILE A 9 88.261 -2.969 6.838 1.00 0.00 N ATOM 132 CA ILE A 9 88.093 -1.741 7.665 1.00 0.00 C ATOM 133 C ILE A 9 87.216 -2.047 8.881 1.00 0.00 C ATOM 134 O ILE A 9 87.430 -1.531 9.959 1.00 0.00 O ATOM 135 CB ILE A 9 87.405 -0.731 6.745 1.00 0.00 C ATOM 136 CG1 ILE A 9 88.266 -0.505 5.500 1.00 0.00 C ATOM 137 CG2 ILE A 9 87.224 0.595 7.485 1.00 0.00 C ATOM 138 CD1 ILE A 9 87.592 0.528 4.594 1.00 0.00 C ATOM 0 H ILE A 9 87.825 -2.936 5.917 1.00 0.00 H new ATOM 0 HA ILE A 9 89.043 -1.361 8.042 1.00 0.00 H new ATOM 0 HB ILE A 9 86.430 -1.118 6.448 1.00 0.00 H new ATOM 0 HG12 ILE A 9 89.258 -0.159 5.789 1.00 0.00 H new ATOM 0 HG13 ILE A 9 88.400 -1.444 4.962 1.00 0.00 H new ATOM 0 HG21 ILE A 9 86.734 1.314 6.829 1.00 0.00 H new ATOM 0 HG22 ILE A 9 86.610 0.436 8.372 1.00 0.00 H new ATOM 0 HG23 ILE A 9 88.199 0.981 7.783 1.00 0.00 H new ATOM 0 HD11 ILE A 9 88.205 0.689 3.707 1.00 0.00 H new ATOM 0 HD12 ILE A 9 86.609 0.163 4.295 1.00 0.00 H new ATOM 0 HD13 ILE A 9 87.481 1.468 5.134 1.00 0.00 H new ATOM 150 N LYS A 10 86.230 -2.887 8.714 1.00 0.00 N ATOM 151 CA LYS A 10 85.340 -3.229 9.860 1.00 0.00 C ATOM 152 C LYS A 10 86.144 -3.933 10.955 1.00 0.00 C ATOM 153 O LYS A 10 85.920 -3.731 12.133 1.00 0.00 O ATOM 154 CB LYS A 10 84.288 -4.175 9.278 1.00 0.00 C ATOM 155 CG LYS A 10 83.232 -3.365 8.522 1.00 0.00 C ATOM 156 CD LYS A 10 81.854 -3.993 8.739 1.00 0.00 C ATOM 157 CE LYS A 10 80.816 -3.260 7.885 1.00 0.00 C ATOM 158 NZ LYS A 10 79.500 -3.628 8.477 1.00 0.00 N ATOM 0 H LYS A 10 86.003 -3.351 7.834 1.00 0.00 H new ATOM 0 HA LYS A 10 84.888 -2.346 10.311 1.00 0.00 H new ATOM 0 HB2 LYS A 10 84.761 -4.892 8.607 1.00 0.00 H new ATOM 0 HB3 LYS A 10 83.818 -4.748 10.077 1.00 0.00 H new ATOM 0 HG2 LYS A 10 83.232 -2.332 8.871 1.00 0.00 H new ATOM 0 HG3 LYS A 10 83.469 -3.342 7.458 1.00 0.00 H new ATOM 0 HD2 LYS A 10 81.879 -5.050 8.472 1.00 0.00 H new ATOM 0 HD3 LYS A 10 81.579 -3.936 9.792 1.00 0.00 H new ATOM 0 HE2 LYS A 10 80.973 -2.182 7.912 1.00 0.00 H new ATOM 0 HE3 LYS A 10 80.878 -3.565 6.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 78.907 -4.078 7.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 79.647 -4.291 9.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 79.026 -2.772 8.829 1.00 0.00 H new ATOM 172 N CYS A 11 87.081 -4.763 10.578 1.00 0.00 N ATOM 173 CA CYS A 11 87.893 -5.479 11.591 1.00 0.00 C ATOM 174 C CYS A 11 88.806 -4.498 12.327 1.00 0.00 C ATOM 175 O CYS A 11 88.826 -4.443 13.541 1.00 0.00 O ATOM 176 CB CYS A 11 88.720 -6.489 10.795 1.00 0.00 C ATOM 177 SG CYS A 11 89.550 -7.622 11.938 1.00 0.00 S ATOM 0 H CYS A 11 87.315 -4.973 9.608 1.00 0.00 H new ATOM 0 HA CYS A 11 87.275 -5.964 12.347 1.00 0.00 H new ATOM 0 HB2 CYS A 11 88.076 -7.048 10.116 1.00 0.00 H new ATOM 0 HB3 CYS A 11 89.456 -5.970 10.182 1.00 0.00 H new ATOM 182 N LYS A 12 89.558 -3.719 11.601 1.00 0.00 N ATOM 183 CA LYS A 12 90.468 -2.738 12.259 1.00 0.00 C ATOM 184 C LYS A 12 89.649 -1.606 12.885 1.00 0.00 C ATOM 185 O LYS A 12 90.065 -0.978 13.838 1.00 0.00 O ATOM 186 CB LYS A 12 91.363 -2.208 11.137 1.00 0.00 C ATOM 187 CG LYS A 12 92.584 -3.119 10.987 1.00 0.00 C ATOM 188 CD LYS A 12 93.858 -2.316 11.259 1.00 0.00 C ATOM 189 CE LYS A 12 94.023 -2.111 12.767 1.00 0.00 C ATOM 190 NZ LYS A 12 94.493 -3.427 13.285 1.00 0.00 N ATOM 0 H LYS A 12 89.583 -3.718 10.581 1.00 0.00 H new ATOM 0 HA LYS A 12 91.055 -3.186 13.061 1.00 0.00 H new ATOM 0 HB2 LYS A 12 90.807 -2.170 10.200 1.00 0.00 H new ATOM 0 HB3 LYS A 12 91.681 -1.190 11.361 1.00 0.00 H new ATOM 0 HG2 LYS A 12 92.514 -3.956 11.682 1.00 0.00 H new ATOM 0 HG3 LYS A 12 92.615 -3.541 9.982 1.00 0.00 H new ATOM 0 HD2 LYS A 12 94.724 -2.841 10.856 1.00 0.00 H new ATOM 0 HD3 LYS A 12 93.807 -1.351 10.754 1.00 0.00 H new ATOM 0 HE2 LYS A 12 94.744 -1.322 12.982 1.00 0.00 H new ATOM 0 HE3 LYS A 12 93.081 -1.817 13.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 95.005 -3.285 14.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 93.675 -4.048 13.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 95.127 -3.868 12.589 1.00 0.00 H new ATOM 204 N ILE A 13 88.481 -1.350 12.361 1.00 0.00 N ATOM 205 CA ILE A 13 87.625 -0.268 12.928 1.00 0.00 C ATOM 206 C ILE A 13 86.159 -0.709 12.924 1.00 0.00 C ATOM 207 O ILE A 13 85.391 -0.305 12.075 1.00 0.00 O ATOM 208 CB ILE A 13 87.825 0.931 12.001 1.00 0.00 C ATOM 209 CG1 ILE A 13 89.322 1.180 11.804 1.00 0.00 C ATOM 210 CG2 ILE A 13 87.181 2.170 12.624 1.00 0.00 C ATOM 211 CD1 ILE A 13 89.523 2.433 10.948 1.00 0.00 C ATOM 0 H ILE A 13 88.082 -1.844 11.563 1.00 0.00 H new ATOM 0 HA ILE A 13 87.888 -0.029 13.958 1.00 0.00 H new ATOM 0 HB ILE A 13 87.361 0.725 11.037 1.00 0.00 H new ATOM 0 HG12 ILE A 13 89.811 1.304 12.770 1.00 0.00 H new ATOM 0 HG13 ILE A 13 89.784 0.319 11.321 1.00 0.00 H new ATOM 0 HG21 ILE A 13 87.323 3.025 11.963 1.00 0.00 H new ATOM 0 HG22 ILE A 13 86.115 1.994 12.765 1.00 0.00 H new ATOM 0 HG23 ILE A 13 87.645 2.375 13.589 1.00 0.00 H new ATOM 0 HD11 ILE A 13 90.589 2.611 10.808 1.00 0.00 H new ATOM 0 HD12 ILE A 13 89.048 2.291 9.977 1.00 0.00 H new ATOM 0 HD13 ILE A 13 89.075 3.291 11.449 1.00 0.00 H new ATOM 223 N PRO A 14 85.828 -1.534 13.878 1.00 0.00 N ATOM 224 CA PRO A 14 84.444 -2.050 13.995 1.00 0.00 C ATOM 225 C PRO A 14 83.516 -0.969 14.558 1.00 0.00 C ATOM 226 O PRO A 14 82.336 -0.938 14.270 1.00 0.00 O ATOM 227 CB PRO A 14 84.578 -3.216 14.970 1.00 0.00 C ATOM 228 CG PRO A 14 85.799 -2.911 15.781 1.00 0.00 C ATOM 229 CD PRO A 14 86.705 -2.056 14.930 1.00 0.00 C ATOM 0 HA PRO A 14 84.015 -2.349 13.039 1.00 0.00 H new ATOM 0 HB2 PRO A 14 83.696 -3.303 15.604 1.00 0.00 H new ATOM 0 HB3 PRO A 14 84.684 -4.163 14.440 1.00 0.00 H new ATOM 0 HG2 PRO A 14 85.529 -2.389 16.699 1.00 0.00 H new ATOM 0 HG3 PRO A 14 86.304 -3.831 16.075 1.00 0.00 H new ATOM 0 HD2 PRO A 14 87.152 -1.250 15.511 1.00 0.00 H new ATOM 0 HD3 PRO A 14 87.525 -2.640 14.511 1.00 0.00 H new ATOM 237 N SER A 15 84.042 -0.084 15.358 1.00 0.00 N ATOM 238 CA SER A 15 83.193 0.995 15.940 1.00 0.00 C ATOM 239 C SER A 15 82.709 1.941 14.838 1.00 0.00 C ATOM 240 O SER A 15 81.774 2.695 15.021 1.00 0.00 O ATOM 241 CB SER A 15 84.109 1.735 16.913 1.00 0.00 C ATOM 242 OG SER A 15 85.231 2.246 16.205 1.00 0.00 O ATOM 0 H SER A 15 85.023 -0.060 15.635 1.00 0.00 H new ATOM 0 HA SER A 15 82.305 0.600 16.433 1.00 0.00 H new ATOM 0 HB2 SER A 15 83.566 2.549 17.394 1.00 0.00 H new ATOM 0 HB3 SER A 15 84.439 1.061 17.704 1.00 0.00 H new ATOM 0 HG SER A 15 85.820 2.723 16.826 1.00 0.00 H new ATOM 248 N SER A 16 83.340 1.909 13.696 1.00 0.00 N ATOM 249 CA SER A 16 82.915 2.809 12.585 1.00 0.00 C ATOM 250 C SER A 16 82.672 1.995 11.310 1.00 0.00 C ATOM 251 O SER A 16 83.417 1.091 10.987 1.00 0.00 O ATOM 252 CB SER A 16 84.083 3.775 12.390 1.00 0.00 C ATOM 253 OG SER A 16 83.578 5.055 12.033 1.00 0.00 O ATOM 0 H SER A 16 84.130 1.300 13.484 1.00 0.00 H new ATOM 0 HA SER A 16 81.986 3.333 12.809 1.00 0.00 H new ATOM 0 HB2 SER A 16 84.669 3.845 13.306 1.00 0.00 H new ATOM 0 HB3 SER A 16 84.751 3.405 11.612 1.00 0.00 H new ATOM 0 HG SER A 16 82.816 4.948 11.426 1.00 0.00 H new ATOM 259 N GLU A 17 81.633 2.307 10.585 1.00 0.00 N ATOM 260 CA GLU A 17 81.341 1.549 9.334 1.00 0.00 C ATOM 261 C GLU A 17 82.066 2.184 8.144 1.00 0.00 C ATOM 262 O GLU A 17 82.177 3.391 8.054 1.00 0.00 O ATOM 263 CB GLU A 17 79.827 1.653 9.153 1.00 0.00 C ATOM 264 CG GLU A 17 79.123 1.040 10.366 1.00 0.00 C ATOM 265 CD GLU A 17 78.756 -0.413 10.061 1.00 0.00 C ATOM 266 OE1 GLU A 17 79.018 -0.849 8.952 1.00 0.00 O ATOM 267 OE2 GLU A 17 78.220 -1.065 10.941 1.00 0.00 O ATOM 0 H GLU A 17 80.973 3.054 10.804 1.00 0.00 H new ATOM 0 HA GLU A 17 81.677 0.514 9.393 1.00 0.00 H new ATOM 0 HB2 GLU A 17 79.535 2.697 9.039 1.00 0.00 H new ATOM 0 HB3 GLU A 17 79.523 1.136 8.243 1.00 0.00 H new ATOM 0 HG2 GLU A 17 79.773 1.086 11.239 1.00 0.00 H new ATOM 0 HG3 GLU A 17 78.226 1.610 10.606 1.00 0.00 H new ATOM 274 N PRO A 18 82.536 1.340 7.265 1.00 0.00 N ATOM 275 CA PRO A 18 83.258 1.816 6.059 1.00 0.00 C ATOM 276 C PRO A 18 82.274 2.404 5.039 1.00 0.00 C ATOM 277 O PRO A 18 82.657 2.816 3.962 1.00 0.00 O ATOM 278 CB PRO A 18 83.912 0.551 5.512 1.00 0.00 C ATOM 279 CG PRO A 18 83.066 -0.576 6.016 1.00 0.00 C ATOM 280 CD PRO A 18 82.442 -0.123 7.312 1.00 0.00 C ATOM 0 HA PRO A 18 83.978 2.605 6.276 1.00 0.00 H new ATOM 0 HB2 PRO A 18 83.944 0.563 4.423 1.00 0.00 H new ATOM 0 HB3 PRO A 18 84.941 0.457 5.860 1.00 0.00 H new ATOM 0 HG2 PRO A 18 82.296 -0.834 5.288 1.00 0.00 H new ATOM 0 HG3 PRO A 18 83.670 -1.470 6.172 1.00 0.00 H new ATOM 0 HD2 PRO A 18 81.406 -0.453 7.392 1.00 0.00 H new ATOM 0 HD3 PRO A 18 82.973 -0.529 8.173 1.00 0.00 H new ATOM 288 N LEU A 19 81.011 2.443 5.370 1.00 0.00 N ATOM 289 CA LEU A 19 80.008 3.001 4.415 1.00 0.00 C ATOM 290 C LEU A 19 79.500 4.360 4.906 1.00 0.00 C ATOM 291 O LEU A 19 78.857 5.091 4.179 1.00 0.00 O ATOM 292 CB LEU A 19 78.870 1.981 4.399 1.00 0.00 C ATOM 293 CG LEU A 19 79.308 0.738 3.621 1.00 0.00 C ATOM 294 CD1 LEU A 19 78.340 -0.411 3.910 1.00 0.00 C ATOM 295 CD2 LEU A 19 79.298 1.045 2.122 1.00 0.00 C ATOM 0 H LEU A 19 80.631 2.114 6.257 1.00 0.00 H new ATOM 0 HA LEU A 19 80.430 3.162 3.423 1.00 0.00 H new ATOM 0 HB2 LEU A 19 78.598 1.708 5.419 1.00 0.00 H new ATOM 0 HB3 LEU A 19 77.983 2.417 3.939 1.00 0.00 H new ATOM 0 HG LEU A 19 80.314 0.453 3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 19 78.651 -1.297 3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 19 78.344 -0.630 4.978 1.00 0.00 H new ATOM 0 HD13 LEU A 19 77.334 -0.125 3.602 1.00 0.00 H new ATOM 0 HD21 LEU A 19 79.610 0.160 1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 19 78.291 1.329 1.816 1.00 0.00 H new ATOM 0 HD23 LEU A 19 79.986 1.865 1.914 1.00 0.00 H new ATOM 307 N LEU A 20 79.777 4.704 6.134 1.00 0.00 N ATOM 308 CA LEU A 20 79.301 6.016 6.662 1.00 0.00 C ATOM 309 C LEU A 20 80.484 6.858 7.147 1.00 0.00 C ATOM 310 O LEU A 20 80.315 7.959 7.632 1.00 0.00 O ATOM 311 CB LEU A 20 78.383 5.665 7.835 1.00 0.00 C ATOM 312 CG LEU A 20 77.328 4.656 7.378 1.00 0.00 C ATOM 313 CD1 LEU A 20 77.003 3.701 8.528 1.00 0.00 C ATOM 314 CD2 LEU A 20 76.057 5.402 6.962 1.00 0.00 C ATOM 0 H LEU A 20 80.310 4.137 6.793 1.00 0.00 H new ATOM 0 HA LEU A 20 78.787 6.600 5.899 1.00 0.00 H new ATOM 0 HB2 LEU A 20 78.968 5.248 8.655 1.00 0.00 H new ATOM 0 HB3 LEU A 20 77.899 6.566 8.213 1.00 0.00 H new ATOM 0 HG LEU A 20 77.712 4.088 6.531 1.00 0.00 H new ATOM 0 HD11 LEU A 20 76.251 2.982 8.202 1.00 0.00 H new ATOM 0 HD12 LEU A 20 77.907 3.171 8.827 1.00 0.00 H new ATOM 0 HD13 LEU A 20 76.619 4.269 9.375 1.00 0.00 H new ATOM 0 HD21 LEU A 20 75.304 4.684 6.636 1.00 0.00 H new ATOM 0 HD22 LEU A 20 75.674 5.970 7.810 1.00 0.00 H new ATOM 0 HD23 LEU A 20 76.287 6.084 6.143 1.00 0.00 H new ATOM 326 N ASP A 21 81.681 6.353 7.023 1.00 0.00 N ATOM 327 CA ASP A 21 82.867 7.132 7.482 1.00 0.00 C ATOM 328 C ASP A 21 83.901 7.243 6.359 1.00 0.00 C ATOM 329 O ASP A 21 84.253 8.325 5.933 1.00 0.00 O ATOM 330 CB ASP A 21 83.434 6.335 8.656 1.00 0.00 C ATOM 331 CG ASP A 21 82.884 6.898 9.968 1.00 0.00 C ATOM 332 OD1 ASP A 21 83.394 7.912 10.415 1.00 0.00 O ATOM 333 OD2 ASP A 21 81.960 6.306 10.501 1.00 0.00 O ATOM 0 H ASP A 21 81.889 5.437 6.625 1.00 0.00 H new ATOM 0 HA ASP A 21 82.604 8.150 7.768 1.00 0.00 H new ATOM 0 HB2 ASP A 21 83.166 5.283 8.559 1.00 0.00 H new ATOM 0 HB3 ASP A 21 84.523 6.388 8.653 1.00 0.00 H new ATOM 338 N PHE A 22 84.391 6.134 5.877 1.00 0.00 N ATOM 339 CA PHE A 22 85.402 6.181 4.783 1.00 0.00 C ATOM 340 C PHE A 22 84.712 6.116 3.418 1.00 0.00 C ATOM 341 O PHE A 22 85.060 5.315 2.573 1.00 0.00 O ATOM 342 CB PHE A 22 86.280 4.949 5.001 1.00 0.00 C ATOM 343 CG PHE A 22 86.821 4.962 6.412 1.00 0.00 C ATOM 344 CD1 PHE A 22 87.877 5.816 6.749 1.00 0.00 C ATOM 345 CD2 PHE A 22 86.262 4.121 7.382 1.00 0.00 C ATOM 346 CE1 PHE A 22 88.377 5.828 8.057 1.00 0.00 C ATOM 347 CE2 PHE A 22 86.762 4.134 8.690 1.00 0.00 C ATOM 348 CZ PHE A 22 87.819 4.987 9.027 1.00 0.00 C ATOM 0 H PHE A 22 84.135 5.198 6.193 1.00 0.00 H new ATOM 0 HA PHE A 22 85.983 7.103 4.799 1.00 0.00 H new ATOM 0 HB2 PHE A 22 85.701 4.041 4.830 1.00 0.00 H new ATOM 0 HB3 PHE A 22 87.102 4.943 4.285 1.00 0.00 H new ATOM 0 HD1 PHE A 22 88.306 6.466 6.001 1.00 0.00 H new ATOM 0 HD2 PHE A 22 85.446 3.463 7.122 1.00 0.00 H new ATOM 0 HE1 PHE A 22 89.193 6.486 8.317 1.00 0.00 H new ATOM 0 HE2 PHE A 22 86.332 3.486 9.439 1.00 0.00 H new ATOM 0 HZ PHE A 22 88.204 4.996 10.036 1.00 0.00 H new ATOM 358 N ASN A 23 83.736 6.953 3.197 1.00 0.00 N ATOM 359 CA ASN A 23 83.025 6.941 1.887 1.00 0.00 C ATOM 360 C ASN A 23 83.118 8.317 1.224 1.00 0.00 C ATOM 361 O ASN A 23 82.801 9.326 1.823 1.00 0.00 O ATOM 362 CB ASN A 23 81.572 6.607 2.228 1.00 0.00 C ATOM 363 CG ASN A 23 81.089 5.461 1.338 1.00 0.00 C ATOM 364 OD1 ASN A 23 81.772 5.065 0.414 1.00 0.00 O ATOM 365 ND2 ASN A 23 79.934 4.906 1.579 1.00 0.00 N ATOM 0 H ASN A 23 83.400 7.645 3.867 1.00 0.00 H new ATOM 0 HA ASN A 23 83.455 6.222 1.189 1.00 0.00 H new ATOM 0 HB2 ASN A 23 81.489 6.326 3.278 1.00 0.00 H new ATOM 0 HB3 ASN A 23 80.942 7.485 2.082 1.00 0.00 H new ATOM 0 HD21 ASN A 23 79.604 4.140 0.992 1.00 0.00 H new ATOM 0 HD22 ASN A 23 79.361 5.238 2.354 1.00 0.00 H new ATOM 372 N ASN A 24 83.549 8.368 -0.006 1.00 0.00 N ATOM 373 CA ASN A 24 83.662 9.681 -0.702 1.00 0.00 C ATOM 374 C ASN A 24 84.274 10.719 0.240 1.00 0.00 C ATOM 375 O ASN A 24 83.640 11.685 0.614 1.00 0.00 O ATOM 376 CB ASN A 24 82.227 10.062 -1.065 1.00 0.00 C ATOM 377 CG ASN A 24 82.241 11.078 -2.208 1.00 0.00 C ATOM 378 OD1 ASN A 24 82.754 12.169 -2.060 1.00 0.00 O ATOM 379 ND2 ASN A 24 81.695 10.763 -3.351 1.00 0.00 N ATOM 0 H ASN A 24 83.828 7.558 -0.559 1.00 0.00 H new ATOM 0 HA ASN A 24 84.302 9.632 -1.583 1.00 0.00 H new ATOM 0 HB2 ASN A 24 81.668 9.174 -1.361 1.00 0.00 H new ATOM 0 HB3 ASN A 24 81.721 10.483 -0.196 1.00 0.00 H new ATOM 0 HD21 ASN A 24 81.699 11.433 -4.120 1.00 0.00 H new ATOM 0 HD22 ASN A 24 81.264 9.847 -3.475 1.00 0.00 H new ATOM 386 N TYR A 25 85.503 10.521 0.631 1.00 0.00 N ATOM 387 CA TYR A 25 86.161 11.490 1.553 1.00 0.00 C ATOM 388 C TYR A 25 87.506 11.930 0.975 1.00 0.00 C ATOM 389 O TYR A 25 88.095 11.248 0.161 1.00 0.00 O ATOM 390 CB TYR A 25 86.360 10.710 2.853 1.00 0.00 C ATOM 391 CG TYR A 25 87.089 11.565 3.862 1.00 0.00 C ATOM 392 CD1 TYR A 25 88.459 11.811 3.713 1.00 0.00 C ATOM 393 CD2 TYR A 25 86.396 12.105 4.952 1.00 0.00 C ATOM 394 CE1 TYR A 25 89.136 12.598 4.654 1.00 0.00 C ATOM 395 CE2 TYR A 25 87.072 12.890 5.893 1.00 0.00 C ATOM 396 CZ TYR A 25 88.443 13.136 5.744 1.00 0.00 C ATOM 397 OH TYR A 25 89.111 13.908 6.673 1.00 0.00 O ATOM 0 H TYR A 25 86.081 9.729 0.351 1.00 0.00 H new ATOM 0 HA TYR A 25 85.572 12.394 1.705 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.394 10.403 3.254 1.00 0.00 H new ATOM 0 HB3 TYR A 25 86.927 9.800 2.658 1.00 0.00 H new ATOM 0 HD1 TYR A 25 88.994 11.394 2.873 1.00 0.00 H new ATOM 0 HD2 TYR A 25 85.339 11.916 5.067 1.00 0.00 H new ATOM 0 HE1 TYR A 25 90.193 12.789 4.538 1.00 0.00 H new ATOM 0 HE2 TYR A 25 86.537 13.306 6.734 1.00 0.00 H new ATOM 0 HH TYR A 25 88.552 14.016 7.471 1.00 0.00 H new ATOM 407 N GLY A 26 88.000 13.063 1.387 1.00 0.00 N ATOM 408 CA GLY A 26 89.309 13.533 0.853 1.00 0.00 C ATOM 409 C GLY A 26 89.326 13.375 -0.666 1.00 0.00 C ATOM 410 O GLY A 26 88.302 13.197 -1.297 1.00 0.00 O ATOM 0 H GLY A 26 87.558 13.682 2.067 1.00 0.00 H new ATOM 0 HA2 GLY A 26 89.470 14.577 1.122 1.00 0.00 H new ATOM 0 HA3 GLY A 26 90.122 12.960 1.298 1.00 0.00 H new ATOM 414 N CYS A 27 90.484 13.447 -1.259 1.00 0.00 N ATOM 415 CA CYS A 27 90.577 13.310 -2.742 1.00 0.00 C ATOM 416 C CYS A 27 90.625 11.836 -3.152 1.00 0.00 C ATOM 417 O CYS A 27 90.212 11.472 -4.235 1.00 0.00 O ATOM 418 CB CYS A 27 91.887 14.003 -3.121 1.00 0.00 C ATOM 419 SG CYS A 27 91.920 15.665 -2.410 1.00 0.00 S ATOM 0 H CYS A 27 91.373 13.595 -0.781 1.00 0.00 H new ATOM 0 HA CYS A 27 89.713 13.748 -3.242 1.00 0.00 H new ATOM 0 HB2 CYS A 27 92.735 13.424 -2.757 1.00 0.00 H new ATOM 0 HB3 CYS A 27 91.981 14.058 -4.206 1.00 0.00 H new ATOM 424 N TYR A 28 91.141 10.985 -2.307 1.00 0.00 N ATOM 425 CA TYR A 28 91.229 9.543 -2.671 1.00 0.00 C ATOM 426 C TYR A 28 90.078 8.745 -2.048 1.00 0.00 C ATOM 427 O TYR A 28 89.286 8.146 -2.746 1.00 0.00 O ATOM 428 CB TYR A 28 92.575 9.087 -2.113 1.00 0.00 C ATOM 429 CG TYR A 28 93.682 9.824 -2.828 1.00 0.00 C ATOM 430 CD1 TYR A 28 94.228 9.295 -4.004 1.00 0.00 C ATOM 431 CD2 TYR A 28 94.157 11.039 -2.321 1.00 0.00 C ATOM 432 CE1 TYR A 28 95.249 9.980 -4.672 1.00 0.00 C ATOM 433 CE2 TYR A 28 95.179 11.725 -2.990 1.00 0.00 C ATOM 434 CZ TYR A 28 95.725 11.195 -4.165 1.00 0.00 C ATOM 435 OH TYR A 28 96.732 11.870 -4.826 1.00 0.00 O ATOM 0 H TYR A 28 91.504 11.225 -1.384 1.00 0.00 H new ATOM 0 HA TYR A 28 91.153 9.386 -3.747 1.00 0.00 H new ATOM 0 HB2 TYR A 28 92.624 9.283 -1.042 1.00 0.00 H new ATOM 0 HB3 TYR A 28 92.692 8.012 -2.246 1.00 0.00 H new ATOM 0 HD1 TYR A 28 93.861 8.358 -4.396 1.00 0.00 H new ATOM 0 HD2 TYR A 28 93.736 11.448 -1.414 1.00 0.00 H new ATOM 0 HE1 TYR A 28 95.670 9.571 -5.579 1.00 0.00 H new ATOM 0 HE2 TYR A 28 95.546 12.663 -2.599 1.00 0.00 H new ATOM 0 HH TYR A 28 96.720 12.814 -4.564 1.00 0.00 H new ATOM 445 N CYS A 29 89.981 8.723 -0.746 1.00 0.00 N ATOM 446 CA CYS A 29 88.878 7.950 -0.100 1.00 0.00 C ATOM 447 C CYS A 29 87.563 8.171 -0.853 1.00 0.00 C ATOM 448 O CYS A 29 87.008 9.252 -0.850 1.00 0.00 O ATOM 449 CB CYS A 29 88.778 8.496 1.324 1.00 0.00 C ATOM 450 SG CYS A 29 90.364 8.279 2.170 1.00 0.00 S ATOM 0 H CYS A 29 90.612 9.203 -0.104 1.00 0.00 H new ATOM 0 HA CYS A 29 89.073 6.878 -0.108 1.00 0.00 H new ATOM 0 HB2 CYS A 29 88.508 9.552 1.301 1.00 0.00 H new ATOM 0 HB3 CYS A 29 87.990 7.977 1.869 1.00 0.00 H new ATOM 455 N GLY A 30 87.060 7.154 -1.499 1.00 0.00 N ATOM 456 CA GLY A 30 85.783 7.307 -2.253 1.00 0.00 C ATOM 457 C GLY A 30 85.944 6.715 -3.654 1.00 0.00 C ATOM 458 O GLY A 30 87.037 6.618 -4.176 1.00 0.00 O ATOM 0 H GLY A 30 87.478 6.224 -1.537 1.00 0.00 H new ATOM 0 HA2 GLY A 30 84.974 6.803 -1.725 1.00 0.00 H new ATOM 0 HA3 GLY A 30 85.512 8.361 -2.321 1.00 0.00 H new ATOM 506 N GLY A 35 94.076 13.372 -6.992 1.00 0.00 N ATOM 507 CA GLY A 35 94.789 14.668 -6.817 1.00 0.00 C ATOM 508 C GLY A 35 95.456 14.706 -5.441 1.00 0.00 C ATOM 509 O GLY A 35 95.281 13.817 -4.631 1.00 0.00 O ATOM 0 HA2 GLY A 35 95.538 14.791 -7.599 1.00 0.00 H new ATOM 0 HA3 GLY A 35 94.088 15.497 -6.915 1.00 0.00 H new ATOM 513 N THR A 36 96.218 15.729 -5.170 1.00 0.00 N ATOM 514 CA THR A 36 96.894 15.824 -3.844 1.00 0.00 C ATOM 515 C THR A 36 95.887 15.551 -2.724 1.00 0.00 C ATOM 516 O THR A 36 94.747 15.963 -2.801 1.00 0.00 O ATOM 517 CB THR A 36 97.409 17.263 -3.764 1.00 0.00 C ATOM 518 OG1 THR A 36 98.473 17.436 -4.689 1.00 0.00 O ATOM 519 CG2 THR A 36 97.909 17.551 -2.348 1.00 0.00 C ATOM 0 H THR A 36 96.402 16.503 -5.808 1.00 0.00 H new ATOM 0 HA THR A 36 97.700 15.098 -3.735 1.00 0.00 H new ATOM 0 HB THR A 36 96.600 17.952 -4.007 1.00 0.00 H new ATOM 0 HG1 THR A 36 98.803 18.358 -4.640 1.00 0.00 H new ATOM 0 HG21 THR A 36 98.275 18.576 -2.293 1.00 0.00 H new ATOM 0 HG22 THR A 36 97.091 17.419 -1.640 1.00 0.00 H new ATOM 0 HG23 THR A 36 98.717 16.863 -2.101 1.00 0.00 H new ATOM 527 N PRO A 37 96.348 14.862 -1.716 1.00 0.00 N ATOM 528 CA PRO A 37 95.477 14.529 -0.564 1.00 0.00 C ATOM 529 C PRO A 37 95.200 15.780 0.273 1.00 0.00 C ATOM 530 O PRO A 37 95.618 16.869 -0.066 1.00 0.00 O ATOM 531 CB PRO A 37 96.299 13.514 0.225 1.00 0.00 C ATOM 532 CG PRO A 37 97.720 13.794 -0.148 1.00 0.00 C ATOM 533 CD PRO A 37 97.707 14.334 -1.556 1.00 0.00 C ATOM 0 HA PRO A 37 94.502 14.140 -0.860 1.00 0.00 H new ATOM 0 HB2 PRO A 37 96.143 13.628 1.298 1.00 0.00 H new ATOM 0 HB3 PRO A 37 96.017 12.493 -0.032 1.00 0.00 H new ATOM 0 HG2 PRO A 37 98.164 14.516 0.538 1.00 0.00 H new ATOM 0 HG3 PRO A 37 98.321 12.886 -0.088 1.00 0.00 H new ATOM 0 HD2 PRO A 37 98.457 15.113 -1.693 1.00 0.00 H new ATOM 0 HD3 PRO A 37 97.921 13.553 -2.286 1.00 0.00 H new ATOM 541 N VAL A 38 94.496 15.635 1.363 1.00 0.00 N ATOM 542 CA VAL A 38 94.193 16.821 2.215 1.00 0.00 C ATOM 543 C VAL A 38 94.394 16.482 3.694 1.00 0.00 C ATOM 544 O VAL A 38 94.916 17.272 4.455 1.00 0.00 O ATOM 545 CB VAL A 38 92.726 17.144 1.933 1.00 0.00 C ATOM 546 CG1 VAL A 38 92.567 17.561 0.471 1.00 0.00 C ATOM 547 CG2 VAL A 38 91.873 15.902 2.202 1.00 0.00 C ATOM 0 H VAL A 38 94.118 14.749 1.700 1.00 0.00 H new ATOM 0 HA VAL A 38 94.848 17.664 1.995 1.00 0.00 H new ATOM 0 HB VAL A 38 92.402 17.959 2.581 1.00 0.00 H new ATOM 0 HG11 VAL A 38 91.521 17.791 0.270 1.00 0.00 H new ATOM 0 HG12 VAL A 38 93.177 18.443 0.276 1.00 0.00 H new ATOM 0 HG13 VAL A 38 92.890 16.746 -0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 38 90.826 16.129 2.002 1.00 0.00 H new ATOM 0 HG22 VAL A 38 92.199 15.089 1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 38 91.986 15.602 3.244 1.00 0.00 H new ATOM 557 N ASP A 39 93.982 15.316 4.110 1.00 0.00 N ATOM 558 CA ASP A 39 94.150 14.935 5.542 1.00 0.00 C ATOM 559 C ASP A 39 94.979 13.655 5.662 1.00 0.00 C ATOM 560 O ASP A 39 95.295 13.013 4.680 1.00 0.00 O ATOM 561 CB ASP A 39 92.730 14.709 6.062 1.00 0.00 C ATOM 562 CG ASP A 39 92.564 15.404 7.414 1.00 0.00 C ATOM 563 OD1 ASP A 39 92.602 16.623 7.440 1.00 0.00 O ATOM 564 OD2 ASP A 39 92.406 14.705 8.402 1.00 0.00 O ATOM 0 H ASP A 39 93.537 14.611 3.522 1.00 0.00 H new ATOM 0 HA ASP A 39 94.675 15.702 6.112 1.00 0.00 H new ATOM 0 HB2 ASP A 39 92.004 15.100 5.349 1.00 0.00 H new ATOM 0 HB3 ASP A 39 92.534 13.642 6.164 1.00 0.00 H new ATOM 569 N ASP A 40 95.335 13.279 6.861 1.00 0.00 N ATOM 570 CA ASP A 40 96.147 12.043 7.044 1.00 0.00 C ATOM 571 C ASP A 40 95.366 10.818 6.561 1.00 0.00 C ATOM 572 O ASP A 40 95.907 9.943 5.915 1.00 0.00 O ATOM 573 CB ASP A 40 96.405 11.957 8.549 1.00 0.00 C ATOM 574 CG ASP A 40 97.900 11.749 8.800 1.00 0.00 C ATOM 575 OD1 ASP A 40 98.683 12.532 8.285 1.00 0.00 O ATOM 576 OD2 ASP A 40 98.238 10.810 9.503 1.00 0.00 O ATOM 0 H ASP A 40 95.098 13.774 7.721 1.00 0.00 H new ATOM 0 HA ASP A 40 97.075 12.071 6.473 1.00 0.00 H new ATOM 0 HB2 ASP A 40 96.067 12.870 9.039 1.00 0.00 H new ATOM 0 HB3 ASP A 40 95.835 11.134 8.980 1.00 0.00 H new ATOM 581 N LEU A 41 94.098 10.743 6.864 1.00 0.00 N ATOM 582 CA LEU A 41 93.300 9.568 6.410 1.00 0.00 C ATOM 583 C LEU A 41 93.217 9.550 4.883 1.00 0.00 C ATOM 584 O LEU A 41 93.404 8.527 4.254 1.00 0.00 O ATOM 585 CB LEU A 41 91.909 9.751 7.017 1.00 0.00 C ATOM 586 CG LEU A 41 91.140 8.432 6.909 1.00 0.00 C ATOM 587 CD1 LEU A 41 91.785 7.391 7.820 1.00 0.00 C ATOM 588 CD2 LEU A 41 89.687 8.646 7.336 1.00 0.00 C ATOM 0 H LEU A 41 93.583 11.439 7.403 1.00 0.00 H new ATOM 0 HA LEU A 41 93.751 8.626 6.722 1.00 0.00 H new ATOM 0 HB2 LEU A 41 91.991 10.055 8.061 1.00 0.00 H new ATOM 0 HB3 LEU A 41 91.372 10.543 6.496 1.00 0.00 H new ATOM 0 HG LEU A 41 91.167 8.083 5.877 1.00 0.00 H new ATOM 0 HD11 LEU A 41 91.238 6.451 7.743 1.00 0.00 H new ATOM 0 HD12 LEU A 41 92.820 7.234 7.517 1.00 0.00 H new ATOM 0 HD13 LEU A 41 91.758 7.743 8.851 1.00 0.00 H new ATOM 0 HD21 LEU A 41 89.142 7.705 7.258 1.00 0.00 H new ATOM 0 HD22 LEU A 41 89.659 8.997 8.368 1.00 0.00 H new ATOM 0 HD23 LEU A 41 89.223 9.389 6.687 1.00 0.00 H new ATOM 600 N ASP A 42 92.949 10.675 4.281 1.00 0.00 N ATOM 601 CA ASP A 42 92.867 10.712 2.796 1.00 0.00 C ATOM 602 C ASP A 42 94.171 10.169 2.214 1.00 0.00 C ATOM 603 O ASP A 42 94.177 9.444 1.238 1.00 0.00 O ATOM 604 CB ASP A 42 92.684 12.189 2.440 1.00 0.00 C ATOM 605 CG ASP A 42 92.379 12.324 0.948 1.00 0.00 C ATOM 606 OD1 ASP A 42 91.947 11.346 0.361 1.00 0.00 O ATOM 607 OD2 ASP A 42 92.581 13.404 0.417 1.00 0.00 O ATOM 0 H ASP A 42 92.784 11.565 4.751 1.00 0.00 H new ATOM 0 HA ASP A 42 92.052 10.108 2.399 1.00 0.00 H new ATOM 0 HB2 ASP A 42 91.872 12.617 3.028 1.00 0.00 H new ATOM 0 HB3 ASP A 42 93.586 12.748 2.689 1.00 0.00 H new ATOM 612 N ARG A 43 95.275 10.504 2.823 1.00 0.00 N ATOM 613 CA ARG A 43 96.584 10.004 2.332 1.00 0.00 C ATOM 614 C ARG A 43 96.581 8.478 2.315 1.00 0.00 C ATOM 615 O ARG A 43 97.103 7.853 1.413 1.00 0.00 O ATOM 616 CB ARG A 43 97.593 10.519 3.353 1.00 0.00 C ATOM 617 CG ARG A 43 98.033 11.925 2.957 1.00 0.00 C ATOM 618 CD ARG A 43 99.556 11.979 2.890 1.00 0.00 C ATOM 619 NE ARG A 43 99.952 10.813 2.065 1.00 0.00 N ATOM 620 CZ ARG A 43 101.202 10.640 1.732 1.00 0.00 C ATOM 621 NH1 ARG A 43 101.685 11.237 0.678 1.00 0.00 N ATOM 622 NH2 ARG A 43 101.970 9.869 2.454 1.00 0.00 N ATOM 0 H ARG A 43 95.324 11.107 3.645 1.00 0.00 H new ATOM 0 HA ARG A 43 96.811 10.337 1.319 1.00 0.00 H new ATOM 0 HB2 ARG A 43 97.148 10.531 4.348 1.00 0.00 H new ATOM 0 HB3 ARG A 43 98.455 9.854 3.397 1.00 0.00 H new ATOM 0 HG2 ARG A 43 97.606 12.193 1.991 1.00 0.00 H new ATOM 0 HG3 ARG A 43 97.664 12.651 3.681 1.00 0.00 H new ATOM 0 HD2 ARG A 43 99.897 12.912 2.442 1.00 0.00 H new ATOM 0 HD3 ARG A 43 99.996 11.924 3.886 1.00 0.00 H new ATOM 0 HE ARG A 43 99.246 10.144 1.757 1.00 0.00 H new ATOM 0 HH11 ARG A 43 101.086 11.839 0.114 1.00 0.00 H new ATOM 0 HH12 ARG A 43 102.662 11.102 0.418 1.00 0.00 H new ATOM 0 HH21 ARG A 43 101.593 9.402 3.279 1.00 0.00 H new ATOM 0 HH22 ARG A 43 102.947 9.734 2.193 1.00 0.00 H new ATOM 636 N CYS A 44 95.997 7.874 3.310 1.00 0.00 N ATOM 637 CA CYS A 44 95.960 6.394 3.359 1.00 0.00 C ATOM 638 C CYS A 44 95.282 5.854 2.100 1.00 0.00 C ATOM 639 O CYS A 44 95.692 4.858 1.537 1.00 0.00 O ATOM 640 CB CYS A 44 95.136 6.056 4.603 1.00 0.00 C ATOM 641 SG CYS A 44 96.007 6.622 6.086 1.00 0.00 S ATOM 0 H CYS A 44 95.543 8.346 4.092 1.00 0.00 H new ATOM 0 HA CYS A 44 96.955 5.952 3.404 1.00 0.00 H new ATOM 0 HB2 CYS A 44 94.156 6.530 4.542 1.00 0.00 H new ATOM 0 HB3 CYS A 44 94.967 4.981 4.657 1.00 0.00 H new ATOM 646 N CYS A 45 94.247 6.512 1.652 1.00 0.00 N ATOM 647 CA CYS A 45 93.538 6.048 0.425 1.00 0.00 C ATOM 648 C CYS A 45 94.462 6.168 -0.787 1.00 0.00 C ATOM 649 O CYS A 45 94.565 5.265 -1.594 1.00 0.00 O ATOM 650 CB CYS A 45 92.338 6.983 0.281 1.00 0.00 C ATOM 651 SG CYS A 45 91.061 6.516 1.475 1.00 0.00 S ATOM 0 H CYS A 45 93.861 7.352 2.083 1.00 0.00 H new ATOM 0 HA CYS A 45 93.231 5.004 0.492 1.00 0.00 H new ATOM 0 HB2 CYS A 45 92.646 8.015 0.447 1.00 0.00 H new ATOM 0 HB3 CYS A 45 91.941 6.928 -0.732 1.00 0.00 H new ATOM 656 N GLN A 46 95.146 7.273 -0.917 1.00 0.00 N ATOM 657 CA GLN A 46 96.071 7.442 -2.071 1.00 0.00 C ATOM 658 C GLN A 46 97.056 6.274 -2.105 1.00 0.00 C ATOM 659 O GLN A 46 97.414 5.777 -3.153 1.00 0.00 O ATOM 660 CB GLN A 46 96.805 8.755 -1.803 1.00 0.00 C ATOM 661 CG GLN A 46 98.003 8.870 -2.747 1.00 0.00 C ATOM 662 CD GLN A 46 98.665 10.230 -2.564 1.00 0.00 C ATOM 663 OE1 GLN A 46 98.232 11.031 -1.760 1.00 0.00 O ATOM 664 NE2 GLN A 46 99.707 10.524 -3.284 1.00 0.00 N ATOM 0 H GLN A 46 95.103 8.064 -0.274 1.00 0.00 H new ATOM 0 HA GLN A 46 95.551 7.461 -3.029 1.00 0.00 H new ATOM 0 HB2 GLN A 46 96.130 9.598 -1.950 1.00 0.00 H new ATOM 0 HB3 GLN A 46 97.140 8.792 -0.766 1.00 0.00 H new ATOM 0 HG2 GLN A 46 98.719 8.074 -2.542 1.00 0.00 H new ATOM 0 HG3 GLN A 46 97.678 8.748 -3.780 1.00 0.00 H new ATOM 0 HE21 GLN A 46 100.068 9.849 -3.958 1.00 0.00 H new ATOM 0 HE22 GLN A 46 100.163 11.430 -3.175 1.00 0.00 H new ATOM 673 N THR A 47 97.490 5.833 -0.957 1.00 0.00 N ATOM 674 CA THR A 47 98.443 4.698 -0.904 1.00 0.00 C ATOM 675 C THR A 47 97.769 3.424 -1.418 1.00 0.00 C ATOM 676 O THR A 47 98.397 2.576 -2.020 1.00 0.00 O ATOM 677 CB THR A 47 98.807 4.554 0.573 1.00 0.00 C ATOM 678 OG1 THR A 47 98.913 5.843 1.162 1.00 0.00 O ATOM 679 CG2 THR A 47 100.144 3.819 0.703 1.00 0.00 C ATOM 0 H THR A 47 97.222 6.215 -0.050 1.00 0.00 H new ATOM 0 HA THR A 47 99.324 4.866 -1.524 1.00 0.00 H new ATOM 0 HB THR A 47 98.031 3.984 1.084 1.00 0.00 H new ATOM 0 HG1 THR A 47 98.045 6.106 1.532 1.00 0.00 H new ATOM 0 HG21 THR A 47 100.402 3.717 1.757 1.00 0.00 H new ATOM 0 HG22 THR A 47 100.061 2.830 0.253 1.00 0.00 H new ATOM 0 HG23 THR A 47 100.922 4.386 0.192 1.00 0.00 H new ATOM 687 N HIS A 48 96.490 3.289 -1.192 1.00 0.00 N ATOM 688 CA HIS A 48 95.772 2.076 -1.675 1.00 0.00 C ATOM 689 C HIS A 48 95.798 2.053 -3.200 1.00 0.00 C ATOM 690 O HIS A 48 96.175 1.075 -3.815 1.00 0.00 O ATOM 691 CB HIS A 48 94.340 2.229 -1.162 1.00 0.00 C ATOM 692 CG HIS A 48 93.578 0.958 -1.414 1.00 0.00 C ATOM 693 ND1 HIS A 48 92.244 0.958 -1.788 1.00 0.00 N ATOM 694 CD2 HIS A 48 93.949 -0.363 -1.352 1.00 0.00 C ATOM 695 CE1 HIS A 48 91.863 -0.324 -1.935 1.00 0.00 C ATOM 696 NE2 HIS A 48 92.865 -1.170 -1.681 1.00 0.00 N ATOM 0 H HIS A 48 95.912 3.966 -0.694 1.00 0.00 H new ATOM 0 HA HIS A 48 96.224 1.148 -1.324 1.00 0.00 H new ATOM 0 HB2 HIS A 48 94.347 2.456 -0.096 1.00 0.00 H new ATOM 0 HB3 HIS A 48 93.850 3.064 -1.663 1.00 0.00 H new ATOM 0 HD2 HIS A 48 94.933 -0.721 -1.088 1.00 0.00 H new ATOM 0 HE1 HIS A 48 90.869 -0.631 -2.223 1.00 0.00 H new ATOM 0 HE2 HIS A 48 92.840 -2.189 -1.720 1.00 0.00 H new ATOM 704 N ASP A 49 95.411 3.136 -3.815 1.00 0.00 N ATOM 705 CA ASP A 49 95.424 3.196 -5.296 1.00 0.00 C ATOM 706 C ASP A 49 96.851 2.975 -5.800 1.00 0.00 C ATOM 707 O ASP A 49 97.085 2.248 -6.743 1.00 0.00 O ATOM 708 CB ASP A 49 94.943 4.606 -5.638 1.00 0.00 C ATOM 709 CG ASP A 49 93.414 4.645 -5.613 1.00 0.00 C ATOM 710 OD1 ASP A 49 92.817 3.600 -5.411 1.00 0.00 O ATOM 711 OD2 ASP A 49 92.866 5.720 -5.797 1.00 0.00 O ATOM 0 H ASP A 49 95.086 3.984 -3.350 1.00 0.00 H new ATOM 0 HA ASP A 49 94.795 2.434 -5.756 1.00 0.00 H new ATOM 0 HB2 ASP A 49 95.347 5.323 -4.923 1.00 0.00 H new ATOM 0 HB3 ASP A 49 95.309 4.897 -6.623 1.00 0.00 H new ATOM 716 N ASN A 50 97.805 3.598 -5.164 1.00 0.00 N ATOM 717 CA ASN A 50 99.220 3.432 -5.583 1.00 0.00 C ATOM 718 C ASN A 50 99.590 1.949 -5.582 1.00 0.00 C ATOM 719 O ASN A 50 100.359 1.486 -6.402 1.00 0.00 O ATOM 720 CB ASN A 50 100.028 4.199 -4.536 1.00 0.00 C ATOM 721 CG ASN A 50 100.100 5.676 -4.928 1.00 0.00 C ATOM 722 OD1 ASN A 50 101.173 6.221 -5.092 1.00 0.00 O ATOM 723 ND2 ASN A 50 98.994 6.351 -5.085 1.00 0.00 N ATOM 0 H ASN A 50 97.661 4.218 -4.367 1.00 0.00 H new ATOM 0 HA ASN A 50 99.410 3.803 -6.590 1.00 0.00 H new ATOM 0 HB2 ASN A 50 99.564 4.094 -3.555 1.00 0.00 H new ATOM 0 HB3 ASN A 50 101.032 3.783 -4.460 1.00 0.00 H new ATOM 0 HD21 ASN A 50 99.031 7.336 -5.346 1.00 0.00 H new ATOM 0 HD22 ASN A 50 98.093 5.893 -4.947 1.00 0.00 H new ATOM 730 N CYS A 51 99.039 1.200 -4.667 1.00 0.00 N ATOM 731 CA CYS A 51 99.346 -0.257 -4.610 1.00 0.00 C ATOM 732 C CYS A 51 98.687 -0.973 -5.792 1.00 0.00 C ATOM 733 O CYS A 51 99.291 -1.802 -6.443 1.00 0.00 O ATOM 734 CB CYS A 51 98.746 -0.736 -3.288 1.00 0.00 C ATOM 735 SG CYS A 51 99.461 -2.339 -2.845 1.00 0.00 S ATOM 0 H CYS A 51 98.389 1.534 -3.956 1.00 0.00 H new ATOM 0 HA CYS A 51 100.415 -0.462 -4.667 1.00 0.00 H new ATOM 0 HB2 CYS A 51 98.944 -0.008 -2.502 1.00 0.00 H new ATOM 0 HB3 CYS A 51 97.663 -0.821 -3.378 1.00 0.00 H new ATOM 740 N TYR A 52 97.452 -0.655 -6.075 1.00 0.00 N ATOM 741 CA TYR A 52 96.758 -1.314 -7.219 1.00 0.00 C ATOM 742 C TYR A 52 97.517 -1.042 -8.518 1.00 0.00 C ATOM 743 O TYR A 52 97.467 -1.816 -9.452 1.00 0.00 O ATOM 744 CB TYR A 52 95.369 -0.675 -7.262 1.00 0.00 C ATOM 745 CG TYR A 52 94.421 -1.476 -6.403 1.00 0.00 C ATOM 746 CD1 TYR A 52 94.806 -1.873 -5.118 1.00 0.00 C ATOM 747 CD2 TYR A 52 93.155 -1.822 -6.893 1.00 0.00 C ATOM 748 CE1 TYR A 52 93.927 -2.616 -4.321 1.00 0.00 C ATOM 749 CE2 TYR A 52 92.276 -2.566 -6.097 1.00 0.00 C ATOM 750 CZ TYR A 52 92.661 -2.963 -4.811 1.00 0.00 C ATOM 751 OH TYR A 52 91.795 -3.696 -4.025 1.00 0.00 O ATOM 0 H TYR A 52 96.895 0.031 -5.565 1.00 0.00 H new ATOM 0 HA TYR A 52 96.702 -2.396 -7.103 1.00 0.00 H new ATOM 0 HB2 TYR A 52 95.419 0.354 -6.906 1.00 0.00 H new ATOM 0 HB3 TYR A 52 95.005 -0.639 -8.289 1.00 0.00 H new ATOM 0 HD1 TYR A 52 95.782 -1.606 -4.741 1.00 0.00 H new ATOM 0 HD2 TYR A 52 92.857 -1.515 -7.885 1.00 0.00 H new ATOM 0 HE1 TYR A 52 94.225 -2.922 -3.329 1.00 0.00 H new ATOM 0 HE2 TYR A 52 91.300 -2.834 -6.475 1.00 0.00 H new ATOM 0 HH TYR A 52 92.254 -3.976 -3.206 1.00 0.00 H new ATOM 761 N LYS A 53 98.233 0.048 -8.579 1.00 0.00 N ATOM 762 CA LYS A 53 99.009 0.361 -9.816 1.00 0.00 C ATOM 763 C LYS A 53 100.247 -0.520 -9.838 1.00 0.00 C ATOM 764 O LYS A 53 100.524 -1.221 -10.791 1.00 0.00 O ATOM 765 CB LYS A 53 99.434 1.834 -9.706 1.00 0.00 C ATOM 766 CG LYS A 53 98.367 2.654 -8.984 1.00 0.00 C ATOM 767 CD LYS A 53 97.942 3.828 -9.866 1.00 0.00 C ATOM 768 CE LYS A 53 99.147 4.740 -10.114 1.00 0.00 C ATOM 769 NZ LYS A 53 98.844 5.441 -11.393 1.00 0.00 N ATOM 0 H LYS A 53 98.315 0.734 -7.829 1.00 0.00 H new ATOM 0 HA LYS A 53 98.425 0.188 -10.720 1.00 0.00 H new ATOM 0 HB2 LYS A 53 100.379 1.905 -9.168 1.00 0.00 H new ATOM 0 HB3 LYS A 53 99.602 2.244 -10.702 1.00 0.00 H new ATOM 0 HG2 LYS A 53 97.505 2.027 -8.754 1.00 0.00 H new ATOM 0 HG3 LYS A 53 98.756 3.021 -8.034 1.00 0.00 H new ATOM 0 HD2 LYS A 53 97.548 3.461 -10.814 1.00 0.00 H new ATOM 0 HD3 LYS A 53 97.141 4.388 -9.384 1.00 0.00 H new ATOM 0 HE2 LYS A 53 99.280 5.449 -9.297 1.00 0.00 H new ATOM 0 HE3 LYS A 53 100.069 4.164 -10.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 99.626 6.085 -11.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 98.730 4.741 -12.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 97.965 5.987 -11.290 1.00 0.00 H new ATOM 783 N GLN A 54 100.986 -0.481 -8.772 1.00 0.00 N ATOM 784 CA GLN A 54 102.217 -1.305 -8.676 1.00 0.00 C ATOM 785 C GLN A 54 101.882 -2.773 -8.933 1.00 0.00 C ATOM 786 O GLN A 54 102.655 -3.511 -9.509 1.00 0.00 O ATOM 787 CB GLN A 54 102.708 -1.114 -7.241 1.00 0.00 C ATOM 788 CG GLN A 54 103.175 0.330 -7.045 1.00 0.00 C ATOM 789 CD GLN A 54 104.362 0.614 -7.968 1.00 0.00 C ATOM 790 OE1 GLN A 54 105.326 -0.125 -7.982 1.00 0.00 O ATOM 791 NE2 GLN A 54 104.332 1.663 -8.742 1.00 0.00 N ATOM 0 H GLN A 54 100.788 0.093 -7.953 1.00 0.00 H new ATOM 0 HA GLN A 54 102.971 -1.014 -9.407 1.00 0.00 H new ATOM 0 HB2 GLN A 54 101.908 -1.346 -6.538 1.00 0.00 H new ATOM 0 HB3 GLN A 54 103.526 -1.803 -7.031 1.00 0.00 H new ATOM 0 HG2 GLN A 54 102.359 1.020 -7.262 1.00 0.00 H new ATOM 0 HG3 GLN A 54 103.462 0.492 -6.006 1.00 0.00 H new ATOM 0 HE21 GLN A 54 103.522 2.283 -8.730 1.00 0.00 H new ATOM 0 HE22 GLN A 54 105.118 1.864 -9.360 1.00 0.00 H new ATOM 800 N ALA A 55 100.727 -3.199 -8.502 1.00 0.00 N ATOM 801 CA ALA A 55 100.324 -4.620 -8.709 1.00 0.00 C ATOM 802 C ALA A 55 100.161 -4.912 -10.203 1.00 0.00 C ATOM 803 O ALA A 55 100.594 -5.933 -10.696 1.00 0.00 O ATOM 804 CB ALA A 55 98.983 -4.759 -7.990 1.00 0.00 C ATOM 0 H ALA A 55 100.042 -2.623 -8.013 1.00 0.00 H new ATOM 0 HA ALA A 55 101.068 -5.319 -8.327 1.00 0.00 H new ATOM 0 HB1 ALA A 55 98.618 -5.780 -8.096 1.00 0.00 H new ATOM 0 HB2 ALA A 55 99.111 -4.527 -6.933 1.00 0.00 H new ATOM 0 HB3 ALA A 55 98.262 -4.069 -8.428 1.00 0.00 H new ATOM 810 N LYS A 56 99.540 -4.024 -10.926 1.00 0.00 N ATOM 811 CA LYS A 56 99.355 -4.259 -12.386 1.00 0.00 C ATOM 812 C LYS A 56 100.712 -4.246 -13.096 1.00 0.00 C ATOM 813 O LYS A 56 100.967 -5.039 -13.981 1.00 0.00 O ATOM 814 CB LYS A 56 98.479 -3.101 -12.866 1.00 0.00 C ATOM 815 CG LYS A 56 97.041 -3.321 -12.393 1.00 0.00 C ATOM 816 CD LYS A 56 96.069 -2.843 -13.472 1.00 0.00 C ATOM 817 CE LYS A 56 94.971 -1.993 -12.828 1.00 0.00 C ATOM 818 NZ LYS A 56 94.103 -1.556 -13.958 1.00 0.00 N ATOM 0 H LYS A 56 99.154 -3.149 -10.572 1.00 0.00 H new ATOM 0 HA LYS A 56 98.897 -5.225 -12.598 1.00 0.00 H new ATOM 0 HB2 LYS A 56 98.861 -2.157 -12.478 1.00 0.00 H new ATOM 0 HB3 LYS A 56 98.509 -3.034 -13.954 1.00 0.00 H new ATOM 0 HG2 LYS A 56 96.874 -4.377 -12.181 1.00 0.00 H new ATOM 0 HG3 LYS A 56 96.866 -2.778 -11.464 1.00 0.00 H new ATOM 0 HD2 LYS A 56 96.601 -2.260 -14.224 1.00 0.00 H new ATOM 0 HD3 LYS A 56 95.628 -3.698 -13.985 1.00 0.00 H new ATOM 0 HE2 LYS A 56 94.405 -2.569 -12.096 1.00 0.00 H new ATOM 0 HE3 LYS A 56 95.393 -1.137 -12.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 93.327 -0.968 -13.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 94.667 -1.003 -14.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 93.709 -2.391 -14.436 1.00 0.00 H new ATOM 832 N LYS A 57 101.582 -3.351 -12.717 1.00 0.00 N ATOM 833 CA LYS A 57 102.917 -3.283 -13.368 1.00 0.00 C ATOM 834 C LYS A 57 103.696 -4.583 -13.140 1.00 0.00 C ATOM 835 O LYS A 57 104.506 -4.983 -13.953 1.00 0.00 O ATOM 836 CB LYS A 57 103.629 -2.111 -12.690 1.00 0.00 C ATOM 837 CG LYS A 57 103.803 -0.967 -13.691 1.00 0.00 C ATOM 838 CD LYS A 57 102.434 -0.542 -14.221 1.00 0.00 C ATOM 839 CE LYS A 57 102.142 0.896 -13.786 1.00 0.00 C ATOM 840 NZ LYS A 57 100.657 0.980 -13.704 1.00 0.00 N ATOM 0 H LYS A 57 101.424 -2.662 -11.982 1.00 0.00 H new ATOM 0 HA LYS A 57 102.838 -3.149 -14.447 1.00 0.00 H new ATOM 0 HB2 LYS A 57 103.052 -1.770 -11.830 1.00 0.00 H new ATOM 0 HB3 LYS A 57 104.601 -2.431 -12.315 1.00 0.00 H new ATOM 0 HG2 LYS A 57 104.298 -0.122 -13.212 1.00 0.00 H new ATOM 0 HG3 LYS A 57 104.442 -1.285 -14.515 1.00 0.00 H new ATOM 0 HD2 LYS A 57 102.414 -0.615 -15.308 1.00 0.00 H new ATOM 0 HD3 LYS A 57 101.662 -1.212 -13.842 1.00 0.00 H new ATOM 0 HE2 LYS A 57 102.604 1.119 -12.824 1.00 0.00 H new ATOM 0 HE3 LYS A 57 102.539 1.614 -14.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 100.379 1.938 -13.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 100.245 0.770 -14.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 100.308 0.290 -13.008 1.00 0.00 H new ATOM 854 N LEU A 58 103.463 -5.240 -12.036 1.00 0.00 N ATOM 855 CA LEU A 58 104.193 -6.505 -11.748 1.00 0.00 C ATOM 856 C LEU A 58 104.061 -7.483 -12.917 1.00 0.00 C ATOM 857 O LEU A 58 103.001 -7.640 -13.492 1.00 0.00 O ATOM 858 CB LEU A 58 103.521 -7.074 -10.498 1.00 0.00 C ATOM 859 CG LEU A 58 104.348 -6.713 -9.264 1.00 0.00 C ATOM 860 CD1 LEU A 58 103.414 -6.395 -8.096 1.00 0.00 C ATOM 861 CD2 LEU A 58 105.245 -7.896 -8.889 1.00 0.00 C ATOM 0 H LEU A 58 102.796 -4.953 -11.320 1.00 0.00 H new ATOM 0 HA LEU A 58 105.260 -6.335 -11.601 1.00 0.00 H new ATOM 0 HB2 LEU A 58 102.511 -6.675 -10.402 1.00 0.00 H new ATOM 0 HB3 LEU A 58 103.429 -8.157 -10.583 1.00 0.00 H new ATOM 0 HG LEU A 58 104.964 -5.841 -9.484 1.00 0.00 H new ATOM 0 HD11 LEU A 58 104.005 -6.138 -7.217 1.00 0.00 H new ATOM 0 HD12 LEU A 58 102.773 -5.554 -8.361 1.00 0.00 H new ATOM 0 HD13 LEU A 58 102.797 -7.266 -7.876 1.00 0.00 H new ATOM 0 HD21 LEU A 58 105.836 -7.640 -8.009 1.00 0.00 H new ATOM 0 HD22 LEU A 58 104.627 -8.767 -8.671 1.00 0.00 H new ATOM 0 HD23 LEU A 58 105.912 -8.124 -9.720 1.00 0.00 H new ATOM 873 N ASP A 59 105.126 -8.150 -13.269 1.00 0.00 N ATOM 874 CA ASP A 59 105.056 -9.125 -14.394 1.00 0.00 C ATOM 875 C ASP A 59 103.988 -10.179 -14.097 1.00 0.00 C ATOM 876 O ASP A 59 103.047 -10.357 -14.847 1.00 0.00 O ATOM 877 CB ASP A 59 106.442 -9.766 -14.452 1.00 0.00 C ATOM 878 CG ASP A 59 106.572 -10.591 -15.734 1.00 0.00 C ATOM 879 OD1 ASP A 59 106.576 -9.997 -16.798 1.00 0.00 O ATOM 880 OD2 ASP A 59 106.665 -11.803 -15.629 1.00 0.00 O ATOM 0 H ASP A 59 106.041 -8.062 -12.827 1.00 0.00 H new ATOM 0 HA ASP A 59 104.790 -8.653 -15.340 1.00 0.00 H new ATOM 0 HB2 ASP A 59 107.212 -8.995 -14.424 1.00 0.00 H new ATOM 0 HB3 ASP A 59 106.596 -10.402 -13.581 1.00 0.00 H new ATOM 885 N SER A 60 104.125 -10.877 -13.002 1.00 0.00 N ATOM 886 CA SER A 60 103.121 -11.915 -12.645 1.00 0.00 C ATOM 887 C SER A 60 101.708 -11.393 -12.917 1.00 0.00 C ATOM 888 O SER A 60 100.936 -12.003 -13.629 1.00 0.00 O ATOM 889 CB SER A 60 103.322 -12.164 -11.151 1.00 0.00 C ATOM 890 OG SER A 60 104.666 -12.565 -10.917 1.00 0.00 O ATOM 0 H SER A 60 104.892 -10.771 -12.338 1.00 0.00 H new ATOM 0 HA SER A 60 103.243 -12.828 -13.229 1.00 0.00 H new ATOM 0 HB2 SER A 60 103.097 -11.259 -10.587 1.00 0.00 H new ATOM 0 HB3 SER A 60 102.635 -12.935 -10.804 1.00 0.00 H new ATOM 0 HG SER A 60 104.798 -12.724 -9.959 1.00 0.00 H new ATOM 896 N CYS A 61 101.366 -10.265 -12.358 1.00 0.00 N ATOM 897 CA CYS A 61 100.007 -9.703 -12.588 1.00 0.00 C ATOM 898 C CYS A 61 99.790 -9.471 -14.084 1.00 0.00 C ATOM 899 O CYS A 61 98.723 -9.711 -14.613 1.00 0.00 O ATOM 900 CB CYS A 61 99.994 -8.374 -11.829 1.00 0.00 C ATOM 901 SG CYS A 61 100.029 -8.697 -10.049 1.00 0.00 S ATOM 0 H CYS A 61 101.969 -9.709 -11.752 1.00 0.00 H new ATOM 0 HA CYS A 61 99.215 -10.370 -12.248 1.00 0.00 H new ATOM 0 HB2 CYS A 61 100.854 -7.770 -12.117 1.00 0.00 H new ATOM 0 HB3 CYS A 61 99.102 -7.803 -12.089 1.00 0.00 H new ATOM 906 N LYS A 62 100.800 -9.009 -14.768 1.00 0.00 N ATOM 907 CA LYS A 62 100.661 -8.763 -16.232 1.00 0.00 C ATOM 908 C LYS A 62 99.885 -9.906 -16.892 1.00 0.00 C ATOM 909 O LYS A 62 98.962 -9.684 -17.651 1.00 0.00 O ATOM 910 CB LYS A 62 102.094 -8.713 -16.763 1.00 0.00 C ATOM 911 CG LYS A 62 102.202 -7.628 -17.835 1.00 0.00 C ATOM 912 CD LYS A 62 102.576 -6.300 -17.177 1.00 0.00 C ATOM 913 CE LYS A 62 102.439 -5.167 -18.196 1.00 0.00 C ATOM 914 NZ LYS A 62 103.582 -5.352 -19.132 1.00 0.00 N ATOM 0 H LYS A 62 101.716 -8.791 -14.377 1.00 0.00 H new ATOM 0 HA LYS A 62 100.114 -7.845 -16.445 1.00 0.00 H new ATOM 0 HB2 LYS A 62 102.788 -8.505 -15.949 1.00 0.00 H new ATOM 0 HB3 LYS A 62 102.373 -9.681 -17.180 1.00 0.00 H new ATOM 0 HG2 LYS A 62 102.954 -7.905 -18.574 1.00 0.00 H new ATOM 0 HG3 LYS A 62 101.255 -7.530 -18.365 1.00 0.00 H new ATOM 0 HD2 LYS A 62 101.929 -6.112 -16.320 1.00 0.00 H new ATOM 0 HD3 LYS A 62 103.598 -6.344 -16.801 1.00 0.00 H new ATOM 0 HE2 LYS A 62 101.486 -5.222 -18.721 1.00 0.00 H new ATOM 0 HE3 LYS A 62 102.480 -4.192 -17.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 103.993 -4.426 -19.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 104.305 -5.949 -18.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 103.247 -5.811 -20.003 1.00 0.00 H new ATOM 928 N VAL A 63 100.248 -11.129 -16.610 1.00 0.00 N ATOM 929 CA VAL A 63 99.525 -12.280 -17.227 1.00 0.00 C ATOM 930 C VAL A 63 99.168 -13.324 -16.163 1.00 0.00 C ATOM 931 O VAL A 63 99.730 -14.399 -16.127 1.00 0.00 O ATOM 932 CB VAL A 63 100.508 -12.871 -18.239 1.00 0.00 C ATOM 933 CG1 VAL A 63 99.811 -13.962 -19.054 1.00 0.00 C ATOM 934 CG2 VAL A 63 101.001 -11.770 -19.182 1.00 0.00 C ATOM 0 H VAL A 63 101.011 -11.381 -15.982 1.00 0.00 H new ATOM 0 HA VAL A 63 98.590 -11.970 -17.693 1.00 0.00 H new ATOM 0 HB VAL A 63 101.357 -13.300 -17.706 1.00 0.00 H new ATOM 0 HG11 VAL A 63 100.513 -14.382 -19.775 1.00 0.00 H new ATOM 0 HG12 VAL A 63 99.463 -14.749 -18.385 1.00 0.00 H new ATOM 0 HG13 VAL A 63 98.960 -13.533 -19.584 1.00 0.00 H new ATOM 0 HG21 VAL A 63 101.701 -12.194 -19.902 1.00 0.00 H new ATOM 0 HG22 VAL A 63 100.152 -11.338 -19.712 1.00 0.00 H new ATOM 0 HG23 VAL A 63 101.501 -10.993 -18.604 1.00 0.00 H new ATOM 1019 N TYR A 69 91.263 -5.793 -9.527 1.00 0.00 N ATOM 1020 CA TYR A 69 89.813 -5.762 -9.183 1.00 0.00 C ATOM 1021 C TYR A 69 89.180 -7.132 -9.438 1.00 0.00 C ATOM 1022 O TYR A 69 88.746 -7.807 -8.525 1.00 0.00 O ATOM 1023 CB TYR A 69 89.210 -4.707 -10.110 1.00 0.00 C ATOM 1024 CG TYR A 69 88.966 -3.423 -9.327 1.00 0.00 C ATOM 1025 CD1 TYR A 69 90.051 -2.684 -8.841 1.00 0.00 C ATOM 1026 CD2 TYR A 69 87.658 -2.983 -9.096 1.00 0.00 C ATOM 1027 CE1 TYR A 69 89.826 -1.504 -8.122 1.00 0.00 C ATOM 1028 CE2 TYR A 69 87.434 -1.804 -8.376 1.00 0.00 C ATOM 1029 CZ TYR A 69 88.517 -1.064 -7.889 1.00 0.00 C ATOM 1030 OH TYR A 69 88.295 0.099 -7.181 1.00 0.00 O ATOM 0 HA TYR A 69 89.641 -5.526 -8.133 1.00 0.00 H new ATOM 0 HB2 TYR A 69 89.883 -4.514 -10.945 1.00 0.00 H new ATOM 0 HB3 TYR A 69 88.274 -5.071 -10.533 1.00 0.00 H new ATOM 0 HD1 TYR A 69 91.060 -3.024 -9.020 1.00 0.00 H new ATOM 0 HD2 TYR A 69 86.822 -3.553 -9.473 1.00 0.00 H new ATOM 0 HE1 TYR A 69 90.662 -0.933 -7.747 1.00 0.00 H new ATOM 0 HE2 TYR A 69 86.424 -1.465 -8.196 1.00 0.00 H new ATOM 0 HH TYR A 69 87.331 0.260 -7.111 1.00 0.00 H new ATOM 1040 N THR A 70 89.125 -7.550 -10.673 1.00 0.00 N ATOM 1041 CA THR A 70 88.522 -8.873 -10.985 1.00 0.00 C ATOM 1042 C THR A 70 89.184 -9.961 -10.139 1.00 0.00 C ATOM 1043 O THR A 70 88.642 -11.031 -9.945 1.00 0.00 O ATOM 1044 CB THR A 70 88.806 -9.098 -12.471 1.00 0.00 C ATOM 1045 OG1 THR A 70 88.342 -10.386 -12.851 1.00 0.00 O ATOM 1046 CG2 THR A 70 90.310 -8.998 -12.725 1.00 0.00 C ATOM 0 H THR A 70 89.472 -7.031 -11.479 1.00 0.00 H new ATOM 0 HA THR A 70 87.454 -8.905 -10.768 1.00 0.00 H new ATOM 0 HB THR A 70 88.290 -8.339 -13.059 1.00 0.00 H new ATOM 0 HG1 THR A 70 88.522 -10.531 -13.803 1.00 0.00 H new ATOM 0 HG21 THR A 70 90.512 -9.158 -13.784 1.00 0.00 H new ATOM 0 HG22 THR A 70 90.663 -8.009 -12.434 1.00 0.00 H new ATOM 0 HG23 THR A 70 90.829 -9.756 -12.138 1.00 0.00 H new ATOM 1054 N ASN A 71 90.356 -9.692 -9.632 1.00 0.00 N ATOM 1055 CA ASN A 71 91.060 -10.707 -8.796 1.00 0.00 C ATOM 1056 C ASN A 71 90.442 -10.758 -7.395 1.00 0.00 C ATOM 1057 O ASN A 71 90.765 -9.964 -6.535 1.00 0.00 O ATOM 1058 CB ASN A 71 92.510 -10.229 -8.722 1.00 0.00 C ATOM 1059 CG ASN A 71 93.345 -11.249 -7.946 1.00 0.00 C ATOM 1060 OD1 ASN A 71 92.925 -11.736 -6.915 1.00 0.00 O ATOM 1061 ND2 ASN A 71 94.519 -11.597 -8.401 1.00 0.00 N ATOM 0 H ASN A 71 90.857 -8.813 -9.760 1.00 0.00 H new ATOM 0 HA ASN A 71 90.983 -11.710 -9.216 1.00 0.00 H new ATOM 0 HB2 ASN A 71 92.914 -10.102 -9.726 1.00 0.00 H new ATOM 0 HB3 ASN A 71 92.559 -9.256 -8.233 1.00 0.00 H new ATOM 0 HD21 ASN A 71 95.083 -12.277 -7.891 1.00 0.00 H new ATOM 0 HD22 ASN A 71 94.872 -11.189 -9.266 1.00 0.00 H new ATOM 1068 N ASN A 72 89.556 -11.686 -7.162 1.00 0.00 N ATOM 1069 CA ASN A 72 88.918 -11.786 -5.818 1.00 0.00 C ATOM 1070 C ASN A 72 89.766 -12.669 -4.896 1.00 0.00 C ATOM 1071 O ASN A 72 89.651 -13.878 -4.902 1.00 0.00 O ATOM 1072 CB ASN A 72 87.554 -12.429 -6.076 1.00 0.00 C ATOM 1073 CG ASN A 72 86.798 -12.580 -4.756 1.00 0.00 C ATOM 1074 OD1 ASN A 72 86.041 -11.710 -4.373 1.00 0.00 O ATOM 1075 ND2 ASN A 72 86.968 -13.657 -4.039 1.00 0.00 N ATOM 0 H ASN A 72 89.246 -12.379 -7.843 1.00 0.00 H new ATOM 0 HA ASN A 72 88.825 -10.816 -5.329 1.00 0.00 H new ATOM 0 HB2 ASN A 72 86.977 -11.816 -6.769 1.00 0.00 H new ATOM 0 HB3 ASN A 72 87.684 -13.404 -6.546 1.00 0.00 H new ATOM 0 HD21 ASN A 72 86.466 -13.768 -3.158 1.00 0.00 H new ATOM 0 HD22 ASN A 72 87.603 -14.388 -4.359 1.00 0.00 H new ATOM 1082 N TYR A 73 90.618 -12.073 -4.104 1.00 0.00 N ATOM 1083 CA TYR A 73 91.471 -12.881 -3.185 1.00 0.00 C ATOM 1084 C TYR A 73 90.687 -13.255 -1.925 1.00 0.00 C ATOM 1085 O TYR A 73 89.491 -13.055 -1.844 1.00 0.00 O ATOM 1086 CB TYR A 73 92.653 -11.974 -2.837 1.00 0.00 C ATOM 1087 CG TYR A 73 92.165 -10.784 -2.047 1.00 0.00 C ATOM 1088 CD1 TYR A 73 91.939 -10.903 -0.671 1.00 0.00 C ATOM 1089 CD2 TYR A 73 91.942 -9.561 -2.691 1.00 0.00 C ATOM 1090 CE1 TYR A 73 91.489 -9.800 0.062 1.00 0.00 C ATOM 1091 CE2 TYR A 73 91.490 -8.456 -1.958 1.00 0.00 C ATOM 1092 CZ TYR A 73 91.264 -8.577 -0.582 1.00 0.00 C ATOM 1093 OH TYR A 73 90.820 -7.489 0.142 1.00 0.00 O ATOM 0 H TYR A 73 90.760 -11.064 -4.054 1.00 0.00 H new ATOM 0 HA TYR A 73 91.798 -13.815 -3.641 1.00 0.00 H new ATOM 0 HB2 TYR A 73 93.392 -12.529 -2.258 1.00 0.00 H new ATOM 0 HB3 TYR A 73 93.148 -11.639 -3.749 1.00 0.00 H new ATOM 0 HD1 TYR A 73 92.112 -11.847 -0.175 1.00 0.00 H new ATOM 0 HD2 TYR A 73 92.118 -9.469 -3.753 1.00 0.00 H new ATOM 0 HE1 TYR A 73 91.315 -9.891 1.124 1.00 0.00 H new ATOM 0 HE2 TYR A 73 91.316 -7.512 -2.454 1.00 0.00 H new ATOM 0 HH TYR A 73 90.655 -6.738 -0.465 1.00 0.00 H new ATOM 1103 N SER A 74 91.350 -13.800 -0.942 1.00 0.00 N ATOM 1104 CA SER A 74 90.638 -14.192 0.309 1.00 0.00 C ATOM 1105 C SER A 74 91.350 -13.607 1.532 1.00 0.00 C ATOM 1106 O SER A 74 92.497 -13.214 1.467 1.00 0.00 O ATOM 1107 CB SER A 74 90.696 -15.718 0.336 1.00 0.00 C ATOM 1108 OG SER A 74 91.031 -16.203 -0.959 1.00 0.00 O ATOM 0 H SER A 74 92.352 -13.991 -0.950 1.00 0.00 H new ATOM 0 HA SER A 74 89.613 -13.822 0.332 1.00 0.00 H new ATOM 0 HB2 SER A 74 91.436 -16.052 1.064 1.00 0.00 H new ATOM 0 HB3 SER A 74 89.734 -16.124 0.650 1.00 0.00 H new ATOM 0 HG SER A 74 91.070 -17.182 -0.942 1.00 0.00 H new ATOM 1114 N TYR A 75 90.676 -13.552 2.650 1.00 0.00 N ATOM 1115 CA TYR A 75 91.314 -12.997 3.878 1.00 0.00 C ATOM 1116 C TYR A 75 90.462 -13.324 5.111 1.00 0.00 C ATOM 1117 O TYR A 75 89.549 -14.124 5.055 1.00 0.00 O ATOM 1118 CB TYR A 75 91.384 -11.482 3.641 1.00 0.00 C ATOM 1119 CG TYR A 75 90.051 -10.832 3.998 1.00 0.00 C ATOM 1120 CD1 TYR A 75 88.949 -10.978 3.148 1.00 0.00 C ATOM 1121 CD2 TYR A 75 89.930 -10.090 5.179 1.00 0.00 C ATOM 1122 CE1 TYR A 75 87.726 -10.384 3.478 1.00 0.00 C ATOM 1123 CE2 TYR A 75 88.708 -9.494 5.509 1.00 0.00 C ATOM 1124 CZ TYR A 75 87.605 -9.641 4.660 1.00 0.00 C ATOM 1125 OH TYR A 75 86.399 -9.054 4.987 1.00 0.00 O ATOM 0 H TYR A 75 89.713 -13.867 2.765 1.00 0.00 H new ATOM 0 HA TYR A 75 92.302 -13.420 4.062 1.00 0.00 H new ATOM 0 HB2 TYR A 75 92.182 -11.048 4.244 1.00 0.00 H new ATOM 0 HB3 TYR A 75 91.628 -11.280 2.598 1.00 0.00 H new ATOM 0 HD1 TYR A 75 89.043 -11.550 2.237 1.00 0.00 H new ATOM 0 HD2 TYR A 75 90.780 -9.978 5.835 1.00 0.00 H new ATOM 0 HE1 TYR A 75 86.876 -10.498 2.822 1.00 0.00 H new ATOM 0 HE2 TYR A 75 88.616 -8.920 6.419 1.00 0.00 H new ATOM 0 HH TYR A 75 86.488 -8.577 5.839 1.00 0.00 H new ATOM 1135 N SER A 76 90.756 -12.708 6.222 1.00 0.00 N ATOM 1136 CA SER A 76 89.968 -12.978 7.459 1.00 0.00 C ATOM 1137 C SER A 76 90.188 -11.861 8.482 1.00 0.00 C ATOM 1138 O SER A 76 90.931 -10.929 8.248 1.00 0.00 O ATOM 1139 CB SER A 76 90.506 -14.306 7.988 1.00 0.00 C ATOM 1140 OG SER A 76 89.487 -15.293 7.897 1.00 0.00 O ATOM 0 H SER A 76 91.509 -12.028 6.328 1.00 0.00 H new ATOM 0 HA SER A 76 88.896 -13.021 7.265 1.00 0.00 H new ATOM 0 HB2 SER A 76 91.379 -14.613 7.412 1.00 0.00 H new ATOM 0 HB3 SER A 76 90.830 -14.195 9.023 1.00 0.00 H new ATOM 0 HG SER A 76 89.122 -15.303 6.988 1.00 0.00 H new ATOM 1146 N CYS A 77 89.549 -11.948 9.617 1.00 0.00 N ATOM 1147 CA CYS A 77 89.724 -10.892 10.657 1.00 0.00 C ATOM 1148 C CYS A 77 89.987 -11.540 12.014 1.00 0.00 C ATOM 1149 O CYS A 77 89.810 -12.727 12.198 1.00 0.00 O ATOM 1150 CB CYS A 77 88.400 -10.122 10.670 1.00 0.00 C ATOM 1151 SG CYS A 77 88.237 -9.136 12.182 1.00 0.00 S ATOM 0 H CYS A 77 88.913 -12.704 9.870 1.00 0.00 H new ATOM 0 HA CYS A 77 90.568 -10.235 10.448 1.00 0.00 H new ATOM 0 HB2 CYS A 77 88.346 -9.470 9.799 1.00 0.00 H new ATOM 0 HB3 CYS A 77 87.567 -10.822 10.596 1.00 0.00 H new ATOM 1156 N SER A 78 90.410 -10.760 12.960 1.00 0.00 N ATOM 1157 CA SER A 78 90.695 -11.304 14.322 1.00 0.00 C ATOM 1158 C SER A 78 91.452 -10.268 15.157 1.00 0.00 C ATOM 1159 O SER A 78 92.329 -9.584 14.669 1.00 0.00 O ATOM 1160 CB SER A 78 91.568 -12.538 14.094 1.00 0.00 C ATOM 1161 OG SER A 78 90.884 -13.691 14.567 1.00 0.00 O ATOM 0 H SER A 78 90.574 -9.759 12.854 1.00 0.00 H new ATOM 0 HA SER A 78 89.780 -11.548 14.861 1.00 0.00 H new ATOM 0 HB2 SER A 78 91.796 -12.646 13.034 1.00 0.00 H new ATOM 0 HB3 SER A 78 92.519 -12.426 14.615 1.00 0.00 H new ATOM 0 HG SER A 78 90.156 -13.916 13.950 1.00 0.00 H new ATOM 1167 N ASN A 79 91.122 -10.150 16.413 1.00 0.00 N ATOM 1168 CA ASN A 79 91.826 -9.161 17.280 1.00 0.00 C ATOM 1169 C ASN A 79 92.001 -7.832 16.543 1.00 0.00 C ATOM 1170 O ASN A 79 93.090 -7.304 16.441 1.00 0.00 O ATOM 1171 CB ASN A 79 93.187 -9.793 17.575 1.00 0.00 C ATOM 1172 CG ASN A 79 92.986 -11.193 18.156 1.00 0.00 C ATOM 1173 OD1 ASN A 79 91.903 -11.740 18.094 1.00 0.00 O ATOM 1174 ND2 ASN A 79 93.992 -11.800 18.724 1.00 0.00 N ATOM 0 H ASN A 79 90.396 -10.695 16.878 1.00 0.00 H new ATOM 0 HA ASN A 79 91.268 -8.944 18.191 1.00 0.00 H new ATOM 0 HB2 ASN A 79 93.779 -9.849 16.662 1.00 0.00 H new ATOM 0 HB3 ASN A 79 93.743 -9.173 18.278 1.00 0.00 H new ATOM 0 HD21 ASN A 79 93.869 -12.734 19.116 1.00 0.00 H new ATOM 0 HD22 ASN A 79 94.901 -11.341 18.776 1.00 0.00 H new ATOM 1181 N ASN A 80 90.932 -7.286 16.035 1.00 0.00 N ATOM 1182 CA ASN A 80 91.017 -5.998 15.313 1.00 0.00 C ATOM 1183 C ASN A 80 92.181 -6.026 14.333 1.00 0.00 C ATOM 1184 O ASN A 80 92.907 -5.064 14.169 1.00 0.00 O ATOM 1185 CB ASN A 80 91.222 -4.950 16.399 1.00 0.00 C ATOM 1186 CG ASN A 80 90.291 -5.219 17.556 1.00 0.00 C ATOM 1187 OD1 ASN A 80 89.124 -5.692 17.311 1.00 0.00 O flip ATOM 1188 ND2 ASN A 80 90.636 -4.997 18.699 1.00 0.00 N flip ATOM 0 H ASN A 80 89.995 -7.686 16.093 1.00 0.00 H new ATOM 0 HA ASN A 80 90.126 -5.785 14.723 1.00 0.00 H new ATOM 0 HB2 ASN A 80 92.256 -4.967 16.742 1.00 0.00 H new ATOM 0 HB3 ASN A 80 91.036 -3.955 15.995 1.00 0.00 H new ATOM 0 HD21 ASN A 80 91.565 -4.621 18.887 1.00 0.00 H new ATOM 0 HD22 ASN A 80 89.997 -5.187 19.471 1.00 0.00 H new ATOM 1195 N GLU A 81 92.344 -7.129 13.671 1.00 0.00 N ATOM 1196 CA GLU A 81 93.438 -7.257 12.679 1.00 0.00 C ATOM 1197 C GLU A 81 92.950 -8.023 11.451 1.00 0.00 C ATOM 1198 O GLU A 81 91.985 -8.757 11.504 1.00 0.00 O ATOM 1199 CB GLU A 81 94.552 -8.018 13.387 1.00 0.00 C ATOM 1200 CG GLU A 81 95.216 -7.096 14.404 1.00 0.00 C ATOM 1201 CD GLU A 81 96.734 -7.152 14.235 1.00 0.00 C ATOM 1202 OE1 GLU A 81 97.197 -6.927 13.128 1.00 0.00 O ATOM 1203 OE2 GLU A 81 97.410 -7.419 15.216 1.00 0.00 O ATOM 0 H GLU A 81 91.759 -7.958 13.776 1.00 0.00 H new ATOM 0 HA GLU A 81 93.785 -6.285 12.328 1.00 0.00 H new ATOM 0 HB2 GLU A 81 94.148 -8.899 13.885 1.00 0.00 H new ATOM 0 HB3 GLU A 81 95.286 -8.370 12.663 1.00 0.00 H new ATOM 0 HG2 GLU A 81 94.863 -6.074 14.268 1.00 0.00 H new ATOM 0 HG3 GLU A 81 94.942 -7.396 15.415 1.00 0.00 H new ATOM 1210 N ILE A 82 93.606 -7.847 10.342 1.00 0.00 N ATOM 1211 CA ILE A 82 93.170 -8.554 9.102 1.00 0.00 C ATOM 1212 C ILE A 82 94.029 -9.795 8.843 1.00 0.00 C ATOM 1213 O ILE A 82 95.228 -9.790 9.038 1.00 0.00 O ATOM 1214 CB ILE A 82 93.357 -7.533 7.982 1.00 0.00 C ATOM 1215 CG1 ILE A 82 92.323 -6.415 8.137 1.00 0.00 C ATOM 1216 CG2 ILE A 82 93.166 -8.217 6.627 1.00 0.00 C ATOM 1217 CD1 ILE A 82 92.892 -5.114 7.568 1.00 0.00 C ATOM 0 H ILE A 82 94.424 -7.247 10.237 1.00 0.00 H new ATOM 0 HA ILE A 82 92.141 -8.904 9.178 1.00 0.00 H new ATOM 0 HB ILE A 82 94.362 -7.114 8.038 1.00 0.00 H new ATOM 0 HG12 ILE A 82 91.403 -6.681 7.616 1.00 0.00 H new ATOM 0 HG13 ILE A 82 92.068 -6.284 9.189 1.00 0.00 H new ATOM 0 HG21 ILE A 82 93.300 -7.487 5.829 1.00 0.00 H new ATOM 0 HG22 ILE A 82 93.900 -9.015 6.516 1.00 0.00 H new ATOM 0 HG23 ILE A 82 92.162 -8.637 6.570 1.00 0.00 H new ATOM 0 HD11 ILE A 82 92.157 -4.317 7.678 1.00 0.00 H new ATOM 0 HD12 ILE A 82 93.800 -4.847 8.108 1.00 0.00 H new ATOM 0 HD13 ILE A 82 93.125 -5.250 6.512 1.00 0.00 H new ATOM 1229 N THR A 83 93.414 -10.855 8.395 1.00 0.00 N ATOM 1230 CA THR A 83 94.176 -12.104 8.106 1.00 0.00 C ATOM 1231 C THR A 83 94.141 -12.385 6.598 1.00 0.00 C ATOM 1232 O THR A 83 93.117 -12.257 5.960 1.00 0.00 O ATOM 1233 CB THR A 83 93.441 -13.197 8.896 1.00 0.00 C ATOM 1234 OG1 THR A 83 93.961 -13.250 10.217 1.00 0.00 O ATOM 1235 CG2 THR A 83 93.628 -14.560 8.221 1.00 0.00 C ATOM 0 H THR A 83 92.411 -10.910 8.216 1.00 0.00 H new ATOM 0 HA THR A 83 95.226 -12.045 8.391 1.00 0.00 H new ATOM 0 HB THR A 83 92.377 -12.960 8.923 1.00 0.00 H new ATOM 0 HG1 THR A 83 93.493 -13.945 10.725 1.00 0.00 H new ATOM 0 HG21 THR A 83 93.101 -15.324 8.792 1.00 0.00 H new ATOM 0 HG22 THR A 83 93.226 -14.523 7.208 1.00 0.00 H new ATOM 0 HG23 THR A 83 94.690 -14.804 8.181 1.00 0.00 H new ATOM 1243 N CYS A 84 95.249 -12.760 6.020 1.00 0.00 N ATOM 1244 CA CYS A 84 95.262 -13.040 4.555 1.00 0.00 C ATOM 1245 C CYS A 84 95.807 -14.444 4.282 1.00 0.00 C ATOM 1246 O CYS A 84 96.794 -14.861 4.855 1.00 0.00 O ATOM 1247 CB CYS A 84 96.190 -11.984 3.955 1.00 0.00 C ATOM 1248 SG CYS A 84 95.335 -11.120 2.613 1.00 0.00 S ATOM 0 H CYS A 84 96.143 -12.884 6.496 1.00 0.00 H new ATOM 0 HA CYS A 84 94.262 -12.999 4.124 1.00 0.00 H new ATOM 0 HB2 CYS A 84 96.494 -11.273 4.723 1.00 0.00 H new ATOM 0 HB3 CYS A 84 97.098 -12.455 3.578 1.00 0.00 H new ATOM 1253 N SER A 85 95.174 -15.173 3.404 1.00 0.00 N ATOM 1254 CA SER A 85 95.659 -16.547 3.088 1.00 0.00 C ATOM 1255 C SER A 85 97.057 -16.477 2.466 1.00 0.00 C ATOM 1256 O SER A 85 97.264 -15.837 1.455 1.00 0.00 O ATOM 1257 CB SER A 85 94.652 -17.103 2.082 1.00 0.00 C ATOM 1258 OG SER A 85 94.808 -16.430 0.839 1.00 0.00 O ATOM 0 H SER A 85 94.343 -14.877 2.892 1.00 0.00 H new ATOM 0 HA SER A 85 95.734 -17.175 3.976 1.00 0.00 H new ATOM 0 HB2 SER A 85 94.806 -18.174 1.950 1.00 0.00 H new ATOM 0 HB3 SER A 85 93.637 -16.970 2.455 1.00 0.00 H new ATOM 0 HG SER A 85 95.755 -16.223 0.696 1.00 0.00 H new ATOM 1264 N SER A 86 98.017 -17.127 3.063 1.00 0.00 N ATOM 1265 CA SER A 86 99.400 -17.091 2.504 1.00 0.00 C ATOM 1266 C SER A 86 99.415 -17.667 1.088 1.00 0.00 C ATOM 1267 O SER A 86 100.353 -17.476 0.340 1.00 0.00 O ATOM 1268 CB SER A 86 100.231 -17.963 3.444 1.00 0.00 C ATOM 1269 OG SER A 86 99.722 -19.289 3.425 1.00 0.00 O ATOM 0 H SER A 86 97.905 -17.681 3.912 1.00 0.00 H new ATOM 0 HA SER A 86 99.790 -16.075 2.438 1.00 0.00 H new ATOM 0 HB2 SER A 86 101.276 -17.958 3.135 1.00 0.00 H new ATOM 0 HB3 SER A 86 100.196 -17.562 4.457 1.00 0.00 H new ATOM 0 HG SER A 86 100.254 -19.852 4.026 1.00 0.00 H new ATOM 1275 N GLU A 87 98.384 -18.371 0.714 1.00 0.00 N ATOM 1276 CA GLU A 87 98.340 -18.957 -0.655 1.00 0.00 C ATOM 1277 C GLU A 87 98.519 -17.855 -1.699 1.00 0.00 C ATOM 1278 O GLU A 87 98.995 -18.091 -2.792 1.00 0.00 O ATOM 1279 CB GLU A 87 96.951 -19.579 -0.768 1.00 0.00 C ATOM 1280 CG GLU A 87 96.942 -20.939 -0.068 1.00 0.00 C ATOM 1281 CD GLU A 87 95.500 -21.434 0.066 1.00 0.00 C ATOM 1282 OE1 GLU A 87 95.037 -22.098 -0.846 1.00 0.00 O ATOM 1283 OE2 GLU A 87 94.885 -21.141 1.077 1.00 0.00 O ATOM 0 H GLU A 87 97.570 -18.566 1.297 1.00 0.00 H new ATOM 0 HA GLU A 87 99.130 -19.689 -0.823 1.00 0.00 H new ATOM 0 HB2 GLU A 87 96.209 -18.921 -0.317 1.00 0.00 H new ATOM 0 HB3 GLU A 87 96.678 -19.696 -1.817 1.00 0.00 H new ATOM 0 HG2 GLU A 87 97.533 -21.657 -0.637 1.00 0.00 H new ATOM 0 HG3 GLU A 87 97.402 -20.856 0.917 1.00 0.00 H new ATOM 1290 N ASN A 88 98.134 -16.655 -1.371 1.00 0.00 N ATOM 1291 CA ASN A 88 98.274 -15.535 -2.342 1.00 0.00 C ATOM 1292 C ASN A 88 99.671 -15.549 -2.968 1.00 0.00 C ATOM 1293 O ASN A 88 100.667 -15.684 -2.284 1.00 0.00 O ATOM 1294 CB ASN A 88 98.064 -14.265 -1.517 1.00 0.00 C ATOM 1295 CG ASN A 88 96.712 -14.337 -0.805 1.00 0.00 C ATOM 1296 OD1 ASN A 88 95.960 -15.271 -1.001 1.00 0.00 O ATOM 1297 ND2 ASN A 88 96.370 -13.384 0.019 1.00 0.00 N ATOM 0 H ASN A 88 97.728 -16.400 -0.471 1.00 0.00 H new ATOM 0 HA ASN A 88 97.560 -15.608 -3.162 1.00 0.00 H new ATOM 0 HB2 ASN A 88 98.866 -14.156 -0.787 1.00 0.00 H new ATOM 0 HB3 ASN A 88 98.100 -13.388 -2.164 1.00 0.00 H new ATOM 0 HD21 ASN A 88 95.471 -13.423 0.499 1.00 0.00 H new ATOM 0 HD22 ASN A 88 97.002 -12.600 0.183 1.00 0.00 H new ATOM 1304 N ASN A 89 99.754 -15.413 -4.262 1.00 0.00 N ATOM 1305 CA ASN A 89 101.088 -15.423 -4.929 1.00 0.00 C ATOM 1306 C ASN A 89 101.598 -13.992 -5.124 1.00 0.00 C ATOM 1307 O ASN A 89 101.036 -13.047 -4.611 1.00 0.00 O ATOM 1308 CB ASN A 89 100.848 -16.094 -6.282 1.00 0.00 C ATOM 1309 CG ASN A 89 99.832 -15.278 -7.084 1.00 0.00 C ATOM 1310 OD1 ASN A 89 99.706 -14.085 -6.890 1.00 0.00 O ATOM 1311 ND2 ASN A 89 99.097 -15.874 -7.982 1.00 0.00 N ATOM 0 H ASN A 89 98.957 -15.295 -4.887 1.00 0.00 H new ATOM 0 HA ASN A 89 101.839 -15.948 -4.339 1.00 0.00 H new ATOM 0 HB2 ASN A 89 101.785 -16.170 -6.833 1.00 0.00 H new ATOM 0 HB3 ASN A 89 100.480 -17.110 -6.136 1.00 0.00 H new ATOM 0 HD21 ASN A 89 98.417 -15.339 -8.521 1.00 0.00 H new ATOM 0 HD22 ASN A 89 99.203 -16.875 -8.145 1.00 0.00 H new ATOM 1318 N ALA A 90 102.663 -13.830 -5.858 1.00 0.00 N ATOM 1319 CA ALA A 90 103.219 -12.468 -6.085 1.00 0.00 C ATOM 1320 C ALA A 90 102.096 -11.473 -6.405 1.00 0.00 C ATOM 1321 O ALA A 90 102.070 -10.370 -5.897 1.00 0.00 O ATOM 1322 CB ALA A 90 104.159 -12.619 -7.280 1.00 0.00 C ATOM 0 H ALA A 90 103.174 -14.586 -6.312 1.00 0.00 H new ATOM 0 HA ALA A 90 103.734 -12.084 -5.204 1.00 0.00 H new ATOM 0 HB1 ALA A 90 104.611 -11.654 -7.512 1.00 0.00 H new ATOM 0 HB2 ALA A 90 104.942 -13.338 -7.039 1.00 0.00 H new ATOM 0 HB3 ALA A 90 103.596 -12.972 -8.144 1.00 0.00 H new ATOM 1328 N CYS A 91 101.173 -11.853 -7.246 1.00 0.00 N ATOM 1329 CA CYS A 91 100.061 -10.922 -7.598 1.00 0.00 C ATOM 1330 C CYS A 91 98.983 -10.939 -6.510 1.00 0.00 C ATOM 1331 O CYS A 91 98.609 -9.912 -5.977 1.00 0.00 O ATOM 1332 CB CYS A 91 99.499 -11.451 -8.917 1.00 0.00 C ATOM 1333 SG CYS A 91 98.622 -10.121 -9.775 1.00 0.00 S ATOM 0 H CYS A 91 101.140 -12.764 -7.704 1.00 0.00 H new ATOM 0 HA CYS A 91 100.404 -9.891 -7.685 1.00 0.00 H new ATOM 0 HB2 CYS A 91 100.307 -11.831 -9.542 1.00 0.00 H new ATOM 0 HB3 CYS A 91 98.823 -12.285 -8.728 1.00 0.00 H new ATOM 1338 N GLU A 92 98.479 -12.096 -6.177 1.00 0.00 N ATOM 1339 CA GLU A 92 97.427 -12.173 -5.123 1.00 0.00 C ATOM 1340 C GLU A 92 97.972 -11.644 -3.795 1.00 0.00 C ATOM 1341 O GLU A 92 97.279 -10.987 -3.046 1.00 0.00 O ATOM 1342 CB GLU A 92 97.087 -13.659 -5.011 1.00 0.00 C ATOM 1343 CG GLU A 92 95.576 -13.827 -4.848 1.00 0.00 C ATOM 1344 CD GLU A 92 95.003 -14.530 -6.079 1.00 0.00 C ATOM 1345 OE1 GLU A 92 95.443 -15.631 -6.367 1.00 0.00 O ATOM 1346 OE2 GLU A 92 94.133 -13.955 -6.714 1.00 0.00 O ATOM 0 H GLU A 92 98.749 -12.990 -6.588 1.00 0.00 H new ATOM 0 HA GLU A 92 96.551 -11.573 -5.368 1.00 0.00 H new ATOM 0 HB2 GLU A 92 97.428 -14.189 -5.900 1.00 0.00 H new ATOM 0 HB3 GLU A 92 97.606 -14.098 -4.159 1.00 0.00 H new ATOM 0 HG2 GLU A 92 95.359 -14.407 -3.951 1.00 0.00 H new ATOM 0 HG3 GLU A 92 95.103 -12.853 -4.720 1.00 0.00 H new ATOM 1353 N ALA A 93 99.212 -11.924 -3.500 1.00 0.00 N ATOM 1354 CA ALA A 93 99.804 -11.434 -2.222 1.00 0.00 C ATOM 1355 C ALA A 93 99.954 -9.911 -2.265 1.00 0.00 C ATOM 1356 O ALA A 93 99.716 -9.226 -1.290 1.00 0.00 O ATOM 1357 CB ALA A 93 101.176 -12.103 -2.136 1.00 0.00 C ATOM 0 H ALA A 93 99.841 -12.471 -4.088 1.00 0.00 H new ATOM 0 HA ALA A 93 99.181 -11.672 -1.360 1.00 0.00 H new ATOM 0 HB1 ALA A 93 101.676 -11.791 -1.219 1.00 0.00 H new ATOM 0 HB2 ALA A 93 101.053 -13.186 -2.132 1.00 0.00 H new ATOM 0 HB3 ALA A 93 101.778 -11.809 -2.996 1.00 0.00 H new ATOM 1363 N PHE A 94 100.348 -9.378 -3.389 1.00 0.00 N ATOM 1364 CA PHE A 94 100.514 -7.901 -3.497 1.00 0.00 C ATOM 1365 C PHE A 94 99.160 -7.204 -3.339 1.00 0.00 C ATOM 1366 O PHE A 94 99.053 -6.176 -2.698 1.00 0.00 O ATOM 1367 CB PHE A 94 101.078 -7.670 -4.898 1.00 0.00 C ATOM 1368 CG PHE A 94 101.617 -6.264 -4.996 1.00 0.00 C ATOM 1369 CD1 PHE A 94 100.737 -5.175 -4.980 1.00 0.00 C ATOM 1370 CD2 PHE A 94 102.996 -6.048 -5.104 1.00 0.00 C ATOM 1371 CE1 PHE A 94 101.237 -3.871 -5.070 1.00 0.00 C ATOM 1372 CE2 PHE A 94 103.496 -4.745 -5.195 1.00 0.00 C ATOM 1373 CZ PHE A 94 102.616 -3.656 -5.178 1.00 0.00 C ATOM 0 H PHE A 94 100.562 -9.902 -4.238 1.00 0.00 H new ATOM 0 HA PHE A 94 101.168 -7.499 -2.723 1.00 0.00 H new ATOM 0 HB2 PHE A 94 101.869 -8.390 -5.107 1.00 0.00 H new ATOM 0 HB3 PHE A 94 100.300 -7.826 -5.645 1.00 0.00 H new ATOM 0 HD1 PHE A 94 99.673 -5.341 -4.898 1.00 0.00 H new ATOM 0 HD2 PHE A 94 103.674 -6.888 -5.117 1.00 0.00 H new ATOM 0 HE1 PHE A 94 100.559 -3.031 -5.056 1.00 0.00 H new ATOM 0 HE2 PHE A 94 104.560 -4.579 -5.278 1.00 0.00 H new ATOM 0 HZ PHE A 94 103.001 -2.650 -5.248 1.00 0.00 H new ATOM 1383 N ILE A 95 98.125 -7.751 -3.917 1.00 0.00 N ATOM 1384 CA ILE A 95 96.782 -7.115 -3.793 1.00 0.00 C ATOM 1385 C ILE A 95 96.348 -7.085 -2.325 1.00 0.00 C ATOM 1386 O ILE A 95 95.829 -6.099 -1.843 1.00 0.00 O ATOM 1387 CB ILE A 95 95.846 -7.999 -4.617 1.00 0.00 C ATOM 1388 CG1 ILE A 95 96.160 -7.819 -6.105 1.00 0.00 C ATOM 1389 CG2 ILE A 95 94.395 -7.596 -4.351 1.00 0.00 C ATOM 1390 CD1 ILE A 95 95.286 -8.763 -6.932 1.00 0.00 C ATOM 0 H ILE A 95 98.151 -8.609 -4.468 1.00 0.00 H new ATOM 0 HA ILE A 95 96.777 -6.084 -4.145 1.00 0.00 H new ATOM 0 HB ILE A 95 95.989 -9.042 -4.336 1.00 0.00 H new ATOM 0 HG12 ILE A 95 95.980 -6.786 -6.403 1.00 0.00 H new ATOM 0 HG13 ILE A 95 97.214 -8.025 -6.292 1.00 0.00 H new ATOM 0 HG21 ILE A 95 93.729 -8.227 -4.939 1.00 0.00 H new ATOM 0 HG22 ILE A 95 94.171 -7.720 -3.291 1.00 0.00 H new ATOM 0 HG23 ILE A 95 94.250 -6.553 -4.633 1.00 0.00 H new ATOM 0 HD11 ILE A 95 95.511 -8.633 -7.991 1.00 0.00 H new ATOM 0 HD12 ILE A 95 95.488 -9.794 -6.642 1.00 0.00 H new ATOM 0 HD13 ILE A 95 94.235 -8.535 -6.754 1.00 0.00 H new ATOM 1402 N CYS A 96 96.566 -8.156 -1.610 1.00 0.00 N ATOM 1403 CA CYS A 96 96.173 -8.180 -0.171 1.00 0.00 C ATOM 1404 C CYS A 96 96.931 -7.089 0.590 1.00 0.00 C ATOM 1405 O CYS A 96 96.392 -6.439 1.464 1.00 0.00 O ATOM 1406 CB CYS A 96 96.576 -9.570 0.327 1.00 0.00 C ATOM 1407 SG CYS A 96 96.571 -9.595 2.139 1.00 0.00 S ATOM 0 H CYS A 96 96.997 -9.012 -1.958 1.00 0.00 H new ATOM 0 HA CYS A 96 95.109 -7.993 -0.023 1.00 0.00 H new ATOM 0 HB2 CYS A 96 95.885 -10.319 -0.059 1.00 0.00 H new ATOM 0 HB3 CYS A 96 97.567 -9.828 -0.047 1.00 0.00 H new ATOM 1412 N ASN A 97 98.177 -6.880 0.259 1.00 0.00 N ATOM 1413 CA ASN A 97 98.967 -5.827 0.959 1.00 0.00 C ATOM 1414 C ASN A 97 98.324 -4.457 0.731 1.00 0.00 C ATOM 1415 O ASN A 97 98.383 -3.584 1.573 1.00 0.00 O ATOM 1416 CB ASN A 97 100.356 -5.878 0.322 1.00 0.00 C ATOM 1417 CG ASN A 97 101.133 -7.067 0.877 1.00 0.00 C ATOM 1418 OD1 ASN A 97 100.638 -7.802 1.708 1.00 0.00 O ATOM 1419 ND2 ASN A 97 102.343 -7.288 0.447 1.00 0.00 N ATOM 0 H ASN A 97 98.681 -7.392 -0.465 1.00 0.00 H new ATOM 0 HA ASN A 97 99.010 -5.989 2.036 1.00 0.00 H new ATOM 0 HB2 ASN A 97 100.267 -5.963 -0.761 1.00 0.00 H new ATOM 0 HB3 ASN A 97 100.894 -4.952 0.526 1.00 0.00 H new ATOM 0 HD21 ASN A 97 102.876 -8.079 0.808 1.00 0.00 H new ATOM 0 HD22 ASN A 97 102.757 -6.670 -0.251 1.00 0.00 H new ATOM 1426 N CYS A 98 97.709 -4.267 -0.403 1.00 0.00 N ATOM 1427 CA CYS A 98 97.059 -2.955 -0.687 1.00 0.00 C ATOM 1428 C CYS A 98 95.858 -2.756 0.242 1.00 0.00 C ATOM 1429 O CYS A 98 95.706 -1.726 0.864 1.00 0.00 O ATOM 1430 CB CYS A 98 96.602 -3.046 -2.144 1.00 0.00 C ATOM 1431 SG CYS A 98 97.964 -3.656 -3.171 1.00 0.00 S ATOM 0 H CYS A 98 97.628 -4.962 -1.145 1.00 0.00 H new ATOM 0 HA CYS A 98 97.732 -2.113 -0.525 1.00 0.00 H new ATOM 0 HB2 CYS A 98 95.744 -3.714 -2.226 1.00 0.00 H new ATOM 0 HB3 CYS A 98 96.278 -2.067 -2.496 1.00 0.00 H new ATOM 1436 N ASP A 99 95.008 -3.741 0.339 1.00 0.00 N ATOM 1437 CA ASP A 99 93.818 -3.616 1.229 1.00 0.00 C ATOM 1438 C ASP A 99 94.249 -3.669 2.697 1.00 0.00 C ATOM 1439 O ASP A 99 93.671 -3.025 3.549 1.00 0.00 O ATOM 1440 CB ASP A 99 92.943 -4.821 0.886 1.00 0.00 C ATOM 1441 CG ASP A 99 92.321 -4.628 -0.498 1.00 0.00 C ATOM 1442 OD1 ASP A 99 93.066 -4.625 -1.465 1.00 0.00 O ATOM 1443 OD2 ASP A 99 91.112 -4.486 -0.568 1.00 0.00 O ATOM 0 H ASP A 99 95.086 -4.627 -0.160 1.00 0.00 H new ATOM 0 HA ASP A 99 93.291 -2.673 1.086 1.00 0.00 H new ATOM 0 HB2 ASP A 99 93.540 -5.733 0.903 1.00 0.00 H new ATOM 0 HB3 ASP A 99 92.159 -4.939 1.634 1.00 0.00 H new ATOM 1448 N ARG A 100 95.262 -4.436 2.996 1.00 0.00 N ATOM 1449 CA ARG A 100 95.734 -4.536 4.407 1.00 0.00 C ATOM 1450 C ARG A 100 96.376 -3.217 4.839 1.00 0.00 C ATOM 1451 O ARG A 100 95.930 -2.572 5.767 1.00 0.00 O ATOM 1452 CB ARG A 100 96.772 -5.659 4.400 1.00 0.00 C ATOM 1453 CG ARG A 100 97.393 -5.790 5.793 1.00 0.00 C ATOM 1454 CD ARG A 100 96.340 -6.311 6.776 1.00 0.00 C ATOM 1455 NE ARG A 100 96.705 -7.729 7.030 1.00 0.00 N ATOM 1456 CZ ARG A 100 97.904 -8.036 7.446 1.00 0.00 C ATOM 1457 NH1 ARG A 100 98.219 -7.880 8.703 1.00 0.00 N ATOM 1458 NH2 ARG A 100 98.788 -8.499 6.604 1.00 0.00 N ATOM 0 H ARG A 100 95.784 -4.998 2.324 1.00 0.00 H new ATOM 0 HA ARG A 100 94.920 -4.739 5.103 1.00 0.00 H new ATOM 0 HB2 ARG A 100 96.304 -6.599 4.109 1.00 0.00 H new ATOM 0 HB3 ARG A 100 97.547 -5.448 3.663 1.00 0.00 H new ATOM 0 HG2 ARG A 100 98.244 -6.471 5.761 1.00 0.00 H new ATOM 0 HG3 ARG A 100 97.770 -4.823 6.127 1.00 0.00 H new ATOM 0 HD2 ARG A 100 96.345 -5.733 7.700 1.00 0.00 H new ATOM 0 HD3 ARG A 100 95.337 -6.233 6.356 1.00 0.00 H new ATOM 0 HE ARG A 100 96.016 -8.466 6.879 1.00 0.00 H new ATOM 0 HH11 ARG A 100 97.528 -7.518 9.361 1.00 0.00 H new ATOM 0 HH12 ARG A 100 99.156 -8.120 9.028 1.00 0.00 H new ATOM 0 HH21 ARG A 100 98.542 -8.621 5.622 1.00 0.00 H new ATOM 0 HH22 ARG A 100 99.725 -8.739 6.929 1.00 0.00 H new ATOM 1472 N ASN A 101 97.420 -2.813 4.171 1.00 0.00 N ATOM 1473 CA ASN A 101 98.091 -1.534 4.541 1.00 0.00 C ATOM 1474 C ASN A 101 97.096 -0.375 4.457 1.00 0.00 C ATOM 1475 O ASN A 101 97.208 0.606 5.165 1.00 0.00 O ATOM 1476 CB ASN A 101 99.207 -1.359 3.512 1.00 0.00 C ATOM 1477 CG ASN A 101 100.483 -2.020 4.022 1.00 0.00 C ATOM 1478 OD1 ASN A 101 100.477 -2.682 5.041 1.00 0.00 O ATOM 1479 ND2 ASN A 101 101.587 -1.870 3.348 1.00 0.00 N ATOM 0 H ASN A 101 97.838 -3.312 3.386 1.00 0.00 H new ATOM 0 HA ASN A 101 98.477 -1.549 5.560 1.00 0.00 H new ATOM 0 HB2 ASN A 101 98.911 -1.802 2.561 1.00 0.00 H new ATOM 0 HB3 ASN A 101 99.383 -0.299 3.329 1.00 0.00 H new ATOM 0 HD21 ASN A 101 102.448 -2.308 3.675 1.00 0.00 H new ATOM 0 HD22 ASN A 101 101.591 -1.314 2.493 1.00 0.00 H new ATOM 1486 N ALA A 102 96.119 -0.483 3.597 1.00 0.00 N ATOM 1487 CA ALA A 102 95.115 0.611 3.469 1.00 0.00 C ATOM 1488 C ALA A 102 94.218 0.642 4.708 1.00 0.00 C ATOM 1489 O ALA A 102 94.061 1.663 5.348 1.00 0.00 O ATOM 1490 CB ALA A 102 94.300 0.260 2.224 1.00 0.00 C ATOM 0 H ALA A 102 95.973 -1.281 2.978 1.00 0.00 H new ATOM 0 HA ALA A 102 95.579 1.594 3.384 1.00 0.00 H new ATOM 0 HB1 ALA A 102 93.537 1.021 2.062 1.00 0.00 H new ATOM 0 HB2 ALA A 102 94.960 0.217 1.357 1.00 0.00 H new ATOM 0 HB3 ALA A 102 93.822 -0.709 2.364 1.00 0.00 H new ATOM 1496 N ALA A 103 93.632 -0.471 5.054 1.00 0.00 N ATOM 1497 CA ALA A 103 92.753 -0.503 6.257 1.00 0.00 C ATOM 1498 C ALA A 103 93.581 -0.226 7.512 1.00 0.00 C ATOM 1499 O ALA A 103 93.135 0.432 8.431 1.00 0.00 O ATOM 1500 CB ALA A 103 92.180 -1.921 6.292 1.00 0.00 C ATOM 0 H ALA A 103 93.723 -1.357 4.557 1.00 0.00 H new ATOM 0 HA ALA A 103 91.966 0.250 6.219 1.00 0.00 H new ATOM 0 HB1 ALA A 103 91.520 -2.025 7.153 1.00 0.00 H new ATOM 0 HB2 ALA A 103 91.617 -2.109 5.378 1.00 0.00 H new ATOM 0 HB3 ALA A 103 92.995 -2.641 6.370 1.00 0.00 H new ATOM 1506 N ILE A 104 94.788 -0.721 7.553 1.00 0.00 N ATOM 1507 CA ILE A 104 95.654 -0.485 8.743 1.00 0.00 C ATOM 1508 C ILE A 104 95.941 1.011 8.899 1.00 0.00 C ATOM 1509 O ILE A 104 96.069 1.517 9.995 1.00 0.00 O ATOM 1510 CB ILE A 104 96.947 -1.245 8.448 1.00 0.00 C ATOM 1511 CG1 ILE A 104 96.702 -2.749 8.593 1.00 0.00 C ATOM 1512 CG2 ILE A 104 98.032 -0.808 9.433 1.00 0.00 C ATOM 1513 CD1 ILE A 104 98.021 -3.500 8.398 1.00 0.00 C ATOM 0 H ILE A 104 95.212 -1.280 6.812 1.00 0.00 H new ATOM 0 HA ILE A 104 95.184 -0.819 9.668 1.00 0.00 H new ATOM 0 HB ILE A 104 97.271 -1.027 7.430 1.00 0.00 H new ATOM 0 HG12 ILE A 104 96.288 -2.968 9.577 1.00 0.00 H new ATOM 0 HG13 ILE A 104 95.969 -3.082 7.858 1.00 0.00 H new ATOM 0 HG21 ILE A 104 98.954 -1.350 9.223 1.00 0.00 H new ATOM 0 HG22 ILE A 104 98.208 0.263 9.329 1.00 0.00 H new ATOM 0 HG23 ILE A 104 97.708 -1.025 10.451 1.00 0.00 H new ATOM 0 HD11 ILE A 104 97.848 -4.571 8.501 1.00 0.00 H new ATOM 0 HD12 ILE A 104 98.416 -3.290 7.404 1.00 0.00 H new ATOM 0 HD13 ILE A 104 98.740 -3.174 9.150 1.00 0.00 H new ATOM 1525 N CYS A 105 96.043 1.721 7.809 1.00 0.00 N ATOM 1526 CA CYS A 105 96.322 3.183 7.900 1.00 0.00 C ATOM 1527 C CYS A 105 95.146 3.888 8.579 1.00 0.00 C ATOM 1528 O CYS A 105 95.322 4.678 9.486 1.00 0.00 O ATOM 1529 CB CYS A 105 96.476 3.651 6.453 1.00 0.00 C ATOM 1530 SG CYS A 105 97.407 5.204 6.415 1.00 0.00 S ATOM 0 H CYS A 105 95.946 1.354 6.862 1.00 0.00 H new ATOM 0 HA CYS A 105 97.213 3.405 8.487 1.00 0.00 H new ATOM 0 HB2 CYS A 105 96.992 2.891 5.867 1.00 0.00 H new ATOM 0 HB3 CYS A 105 95.495 3.792 5.999 1.00 0.00 H new ATOM 1535 N PHE A 106 93.946 3.595 8.158 1.00 0.00 N ATOM 1536 CA PHE A 106 92.760 4.230 8.788 1.00 0.00 C ATOM 1537 C PHE A 106 92.818 4.018 10.300 1.00 0.00 C ATOM 1538 O PHE A 106 92.484 4.889 11.080 1.00 0.00 O ATOM 1539 CB PHE A 106 91.555 3.494 8.202 1.00 0.00 C ATOM 1540 CG PHE A 106 91.526 3.651 6.701 1.00 0.00 C ATOM 1541 CD1 PHE A 106 92.118 4.766 6.096 1.00 0.00 C ATOM 1542 CD2 PHE A 106 90.900 2.678 5.911 1.00 0.00 C ATOM 1543 CE1 PHE A 106 92.084 4.907 4.703 1.00 0.00 C ATOM 1544 CE2 PHE A 106 90.866 2.820 4.520 1.00 0.00 C ATOM 1545 CZ PHE A 106 91.457 3.935 3.915 1.00 0.00 C ATOM 0 H PHE A 106 93.738 2.941 7.403 1.00 0.00 H new ATOM 0 HA PHE A 106 92.711 5.303 8.601 1.00 0.00 H new ATOM 0 HB2 PHE A 106 91.603 2.437 8.463 1.00 0.00 H new ATOM 0 HB3 PHE A 106 90.635 3.887 8.634 1.00 0.00 H new ATOM 0 HD1 PHE A 106 92.601 5.517 6.703 1.00 0.00 H new ATOM 0 HD2 PHE A 106 90.443 1.817 6.377 1.00 0.00 H new ATOM 0 HE1 PHE A 106 92.542 5.767 4.236 1.00 0.00 H new ATOM 0 HE2 PHE A 106 90.383 2.069 3.912 1.00 0.00 H new ATOM 0 HZ PHE A 106 91.429 4.045 2.841 1.00 0.00 H new ATOM 1555 N SER A 107 93.238 2.856 10.711 1.00 0.00 N ATOM 1556 CA SER A 107 93.322 2.553 12.168 1.00 0.00 C ATOM 1557 C SER A 107 94.600 3.150 12.765 1.00 0.00 C ATOM 1558 O SER A 107 94.779 3.180 13.965 1.00 0.00 O ATOM 1559 CB SER A 107 93.356 1.028 12.250 1.00 0.00 C ATOM 1560 OG SER A 107 94.663 0.570 11.929 1.00 0.00 O ATOM 0 H SER A 107 93.529 2.096 10.096 1.00 0.00 H new ATOM 0 HA SER A 107 92.486 2.976 12.726 1.00 0.00 H new ATOM 0 HB2 SER A 107 93.079 0.700 13.252 1.00 0.00 H new ATOM 0 HB3 SER A 107 92.628 0.599 11.561 1.00 0.00 H new ATOM 0 HG SER A 107 95.067 1.171 11.268 1.00 0.00 H new ATOM 1566 N LYS A 108 95.490 3.625 11.937 1.00 0.00 N ATOM 1567 CA LYS A 108 96.753 4.216 12.464 1.00 0.00 C ATOM 1568 C LYS A 108 96.678 5.744 12.419 1.00 0.00 C ATOM 1569 O LYS A 108 97.383 6.431 13.130 1.00 0.00 O ATOM 1570 CB LYS A 108 97.851 3.705 11.531 1.00 0.00 C ATOM 1571 CG LYS A 108 98.164 2.246 11.864 1.00 0.00 C ATOM 1572 CD LYS A 108 98.809 2.164 13.249 1.00 0.00 C ATOM 1573 CE LYS A 108 98.052 1.149 14.107 1.00 0.00 C ATOM 1574 NZ LYS A 108 98.405 1.493 15.512 1.00 0.00 N ATOM 0 H LYS A 108 95.398 3.630 10.921 1.00 0.00 H new ATOM 0 HA LYS A 108 96.939 3.937 13.501 1.00 0.00 H new ATOM 0 HB2 LYS A 108 97.530 3.792 10.493 1.00 0.00 H new ATOM 0 HB3 LYS A 108 98.748 4.315 11.639 1.00 0.00 H new ATOM 0 HG2 LYS A 108 97.250 1.653 11.842 1.00 0.00 H new ATOM 0 HG3 LYS A 108 98.834 1.827 11.114 1.00 0.00 H new ATOM 0 HD2 LYS A 108 99.855 1.870 13.158 1.00 0.00 H new ATOM 0 HD3 LYS A 108 98.794 3.143 13.727 1.00 0.00 H new ATOM 0 HE2 LYS A 108 96.977 1.217 13.942 1.00 0.00 H new ATOM 0 HE3 LYS A 108 98.348 0.128 13.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 97.923 0.839 16.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 99.434 1.413 15.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 98.105 2.468 15.717 1.00 0.00 H new ATOM 1588 N VAL A 109 95.824 6.279 11.590 1.00 0.00 N ATOM 1589 CA VAL A 109 95.702 7.762 11.502 1.00 0.00 C ATOM 1590 C VAL A 109 94.362 8.216 12.087 1.00 0.00 C ATOM 1591 O VAL A 109 93.451 7.426 12.239 1.00 0.00 O ATOM 1592 CB VAL A 109 95.769 8.079 10.008 1.00 0.00 C ATOM 1593 CG1 VAL A 109 97.004 7.416 9.397 1.00 0.00 C ATOM 1594 CG2 VAL A 109 94.510 7.549 9.318 1.00 0.00 C ATOM 0 H VAL A 109 95.206 5.754 10.971 1.00 0.00 H new ATOM 0 HA VAL A 109 96.484 8.275 12.062 1.00 0.00 H new ATOM 0 HB VAL A 109 95.833 9.158 9.869 1.00 0.00 H new ATOM 0 HG11 VAL A 109 97.050 7.643 8.332 1.00 0.00 H new ATOM 0 HG12 VAL A 109 97.901 7.795 9.888 1.00 0.00 H new ATOM 0 HG13 VAL A 109 96.943 6.337 9.535 1.00 0.00 H new ATOM 0 HG21 VAL A 109 94.557 7.775 8.253 1.00 0.00 H new ATOM 0 HG22 VAL A 109 94.445 6.470 9.458 1.00 0.00 H new ATOM 0 HG23 VAL A 109 93.630 8.025 9.751 1.00 0.00 H new ATOM 1604 N PRO A 110 94.290 9.482 12.395 1.00 0.00 N ATOM 1605 CA PRO A 110 93.051 10.058 12.972 1.00 0.00 C ATOM 1606 C PRO A 110 91.963 10.169 11.900 1.00 0.00 C ATOM 1607 O PRO A 110 92.104 9.659 10.805 1.00 0.00 O ATOM 1608 CB PRO A 110 93.489 11.439 13.454 1.00 0.00 C ATOM 1609 CG PRO A 110 94.678 11.784 12.614 1.00 0.00 C ATOM 1610 CD PRO A 110 95.346 10.487 12.236 1.00 0.00 C ATOM 0 HA PRO A 110 92.626 9.450 13.771 1.00 0.00 H new ATOM 0 HB2 PRO A 110 92.692 12.172 13.329 1.00 0.00 H new ATOM 0 HB3 PRO A 110 93.745 11.424 14.513 1.00 0.00 H new ATOM 0 HG2 PRO A 110 94.374 12.334 11.724 1.00 0.00 H new ATOM 0 HG3 PRO A 110 95.366 12.425 13.165 1.00 0.00 H new ATOM 0 HD2 PRO A 110 95.720 10.514 11.212 1.00 0.00 H new ATOM 0 HD3 PRO A 110 96.199 10.275 12.881 1.00 0.00 H new ATOM 1618 N TYR A 111 90.877 10.826 12.206 1.00 0.00 N ATOM 1619 CA TYR A 111 89.781 10.964 11.204 1.00 0.00 C ATOM 1620 C TYR A 111 89.037 12.289 11.408 1.00 0.00 C ATOM 1621 O TYR A 111 88.357 12.485 12.396 1.00 0.00 O ATOM 1622 CB TYR A 111 88.856 9.772 11.473 1.00 0.00 C ATOM 1623 CG TYR A 111 87.497 10.028 10.864 1.00 0.00 C ATOM 1624 CD1 TYR A 111 87.384 10.329 9.501 1.00 0.00 C ATOM 1625 CD2 TYR A 111 86.350 9.965 11.664 1.00 0.00 C ATOM 1626 CE1 TYR A 111 86.124 10.568 8.939 1.00 0.00 C ATOM 1627 CE2 TYR A 111 85.090 10.203 11.102 1.00 0.00 C ATOM 1628 CZ TYR A 111 84.977 10.504 9.740 1.00 0.00 C ATOM 1629 OH TYR A 111 83.735 10.739 9.186 1.00 0.00 O ATOM 0 H TYR A 111 90.701 11.273 13.106 1.00 0.00 H new ATOM 0 HA TYR A 111 90.151 10.970 10.179 1.00 0.00 H new ATOM 0 HB2 TYR A 111 89.287 8.864 11.052 1.00 0.00 H new ATOM 0 HB3 TYR A 111 88.759 9.611 12.547 1.00 0.00 H new ATOM 0 HD1 TYR A 111 88.269 10.377 8.883 1.00 0.00 H new ATOM 0 HD2 TYR A 111 86.437 9.733 12.715 1.00 0.00 H new ATOM 0 HE1 TYR A 111 86.037 10.802 7.888 1.00 0.00 H new ATOM 0 HE2 TYR A 111 84.205 10.154 11.720 1.00 0.00 H new ATOM 0 HH TYR A 111 83.149 9.973 9.361 1.00 0.00 H new ATOM 1639 N ASN A 112 89.158 13.195 10.476 1.00 0.00 N ATOM 1640 CA ASN A 112 88.454 14.504 10.611 1.00 0.00 C ATOM 1641 C ASN A 112 87.165 14.491 9.786 1.00 0.00 C ATOM 1642 O ASN A 112 87.186 14.272 8.592 1.00 0.00 O ATOM 1643 CB ASN A 112 89.433 15.542 10.061 1.00 0.00 C ATOM 1644 CG ASN A 112 90.615 15.688 11.020 1.00 0.00 C ATOM 1645 OD1 ASN A 112 90.617 16.553 11.873 1.00 0.00 O ATOM 1646 ND2 ASN A 112 91.628 14.872 10.916 1.00 0.00 N ATOM 0 H ASN A 112 89.713 13.086 9.627 1.00 0.00 H new ATOM 0 HA ASN A 112 88.173 14.720 11.642 1.00 0.00 H new ATOM 0 HB2 ASN A 112 89.786 15.238 9.076 1.00 0.00 H new ATOM 0 HB3 ASN A 112 88.931 16.501 9.938 1.00 0.00 H new ATOM 0 HD21 ASN A 112 92.421 14.960 11.551 1.00 0.00 H new ATOM 0 HD22 ASN A 112 91.626 14.146 10.200 1.00 0.00 H new ATOM 1653 N LYS A 113 86.046 14.720 10.413 1.00 0.00 N ATOM 1654 CA LYS A 113 84.758 14.716 9.660 1.00 0.00 C ATOM 1655 C LYS A 113 84.573 16.037 8.908 1.00 0.00 C ATOM 1656 O LYS A 113 83.665 16.187 8.114 1.00 0.00 O ATOM 1657 CB LYS A 113 83.674 14.543 10.727 1.00 0.00 C ATOM 1658 CG LYS A 113 83.504 15.847 11.507 1.00 0.00 C ATOM 1659 CD LYS A 113 82.303 15.726 12.447 1.00 0.00 C ATOM 1660 CE LYS A 113 81.609 17.085 12.568 1.00 0.00 C ATOM 1661 NZ LYS A 113 80.357 16.819 13.333 1.00 0.00 N ATOM 0 H LYS A 113 85.966 14.910 11.412 1.00 0.00 H new ATOM 0 HA LYS A 113 84.722 13.924 8.912 1.00 0.00 H new ATOM 0 HB2 LYS A 113 82.731 14.263 10.258 1.00 0.00 H new ATOM 0 HB3 LYS A 113 83.945 13.735 11.406 1.00 0.00 H new ATOM 0 HG2 LYS A 113 84.407 16.062 12.079 1.00 0.00 H new ATOM 0 HG3 LYS A 113 83.358 16.679 10.818 1.00 0.00 H new ATOM 0 HD2 LYS A 113 81.604 14.981 12.066 1.00 0.00 H new ATOM 0 HD3 LYS A 113 82.630 15.384 13.429 1.00 0.00 H new ATOM 0 HE2 LYS A 113 82.242 17.805 13.087 1.00 0.00 H new ATOM 0 HE3 LYS A 113 81.389 17.503 11.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 79.829 17.707 13.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 79.771 16.136 12.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 80.597 16.429 14.267 1.00 0.00 H new ATOM 1675 N GLU A 114 85.421 16.998 9.152 1.00 0.00 N ATOM 1676 CA GLU A 114 85.291 18.304 8.457 1.00 0.00 C ATOM 1677 C GLU A 114 85.684 18.170 6.984 1.00 0.00 C ATOM 1678 O GLU A 114 85.165 18.860 6.127 1.00 0.00 O ATOM 1679 CB GLU A 114 86.254 19.242 9.186 1.00 0.00 C ATOM 1680 CG GLU A 114 86.016 19.147 10.694 1.00 0.00 C ATOM 1681 CD GLU A 114 86.687 20.333 11.390 1.00 0.00 C ATOM 1682 OE1 GLU A 114 87.895 20.457 11.274 1.00 0.00 O ATOM 1683 OE2 GLU A 114 85.981 21.096 12.030 1.00 0.00 O ATOM 0 H GLU A 114 86.201 16.932 9.806 1.00 0.00 H new ATOM 0 HA GLU A 114 84.267 18.676 8.476 1.00 0.00 H new ATOM 0 HB2 GLU A 114 87.285 18.975 8.952 1.00 0.00 H new ATOM 0 HB3 GLU A 114 86.106 20.267 8.848 1.00 0.00 H new ATOM 0 HG2 GLU A 114 84.947 19.145 10.905 1.00 0.00 H new ATOM 0 HG3 GLU A 114 86.419 18.210 11.079 1.00 0.00 H new ATOM 1690 N HIS A 115 86.596 17.289 6.681 1.00 0.00 N ATOM 1691 CA HIS A 115 87.019 17.113 5.263 1.00 0.00 C ATOM 1692 C HIS A 115 86.085 16.130 4.553 1.00 0.00 C ATOM 1693 O HIS A 115 86.306 15.761 3.416 1.00 0.00 O ATOM 1694 CB HIS A 115 88.434 16.541 5.341 1.00 0.00 C ATOM 1695 CG HIS A 115 89.417 17.651 5.590 1.00 0.00 C ATOM 1696 ND1 HIS A 115 90.652 17.699 4.961 1.00 0.00 N ATOM 1697 CD2 HIS A 115 89.364 18.760 6.397 1.00 0.00 C ATOM 1698 CE1 HIS A 115 91.287 18.802 5.398 1.00 0.00 C ATOM 1699 NE2 HIS A 115 90.546 19.485 6.275 1.00 0.00 N ATOM 0 H HIS A 115 87.067 16.683 7.353 1.00 0.00 H new ATOM 0 HA HIS A 115 86.986 18.047 4.703 1.00 0.00 H new ATOM 0 HB2 HIS A 115 88.494 15.803 6.141 1.00 0.00 H new ATOM 0 HB3 HIS A 115 88.680 16.026 4.412 1.00 0.00 H new ATOM 0 HD2 HIS A 115 88.532 19.029 7.030 1.00 0.00 H new ATOM 0 HE1 HIS A 115 92.275 19.099 5.079 1.00 0.00 H new ATOM 0 HE2 HIS A 115 90.793 20.352 6.753 1.00 0.00 H new ATOM 1707 N LYS A 116 85.046 15.700 5.215 1.00 0.00 N ATOM 1708 CA LYS A 116 84.105 14.742 4.584 1.00 0.00 C ATOM 1709 C LYS A 116 83.364 15.405 3.419 1.00 0.00 C ATOM 1710 O LYS A 116 83.051 16.579 3.459 1.00 0.00 O ATOM 1711 CB LYS A 116 83.139 14.384 5.707 1.00 0.00 C ATOM 1712 CG LYS A 116 82.605 12.975 5.487 1.00 0.00 C ATOM 1713 CD LYS A 116 81.079 12.987 5.583 1.00 0.00 C ATOM 1714 CE LYS A 116 80.619 11.913 6.571 1.00 0.00 C ATOM 1715 NZ LYS A 116 79.135 11.882 6.445 1.00 0.00 N ATOM 0 H LYS A 116 84.811 15.974 6.169 1.00 0.00 H new ATOM 0 HA LYS A 116 84.606 13.868 4.168 1.00 0.00 H new ATOM 0 HB2 LYS A 116 83.645 14.446 6.670 1.00 0.00 H new ATOM 0 HB3 LYS A 116 82.315 15.097 5.733 1.00 0.00 H new ATOM 0 HG2 LYS A 116 82.916 12.605 4.510 1.00 0.00 H new ATOM 0 HG3 LYS A 116 83.021 12.296 6.231 1.00 0.00 H new ATOM 0 HD2 LYS A 116 80.733 13.968 5.909 1.00 0.00 H new ATOM 0 HD3 LYS A 116 80.641 12.804 4.602 1.00 0.00 H new ATOM 0 HE2 LYS A 116 81.056 10.943 6.331 1.00 0.00 H new ATOM 0 HE3 LYS A 116 80.924 12.157 7.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 78.746 11.168 7.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 78.747 12.816 6.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 78.875 11.640 5.468 1.00 0.00 H new ATOM 1729 N ASN A 117 83.084 14.659 2.385 1.00 0.00 N ATOM 1730 CA ASN A 117 82.363 15.238 1.213 1.00 0.00 C ATOM 1731 C ASN A 117 82.890 16.641 0.902 1.00 0.00 C ATOM 1732 O ASN A 117 82.141 17.595 0.821 1.00 0.00 O ATOM 1733 CB ASN A 117 80.895 15.293 1.637 1.00 0.00 C ATOM 1734 CG ASN A 117 80.493 13.956 2.262 1.00 0.00 C ATOM 1735 OD1 ASN A 117 81.194 12.973 2.125 1.00 0.00 O ATOM 1736 ND2 ASN A 117 79.384 13.876 2.946 1.00 0.00 N ATOM 0 H ASN A 117 83.324 13.671 2.300 1.00 0.00 H new ATOM 0 HA ASN A 117 82.503 14.644 0.310 1.00 0.00 H new ATOM 0 HB2 ASN A 117 80.742 16.101 2.352 1.00 0.00 H new ATOM 0 HB3 ASN A 117 80.264 15.507 0.774 1.00 0.00 H new ATOM 0 HD21 ASN A 117 79.106 12.989 3.365 1.00 0.00 H new ATOM 0 HD22 ASN A 117 78.795 14.701 3.061 1.00 0.00 H new ATOM 1743 N LEU A 118 84.176 16.772 0.730 1.00 0.00 N ATOM 1744 CA LEU A 118 84.768 18.080 0.430 1.00 0.00 C ATOM 1745 C LEU A 118 84.601 18.386 -1.061 1.00 0.00 C ATOM 1746 O LEU A 118 84.170 17.554 -1.834 1.00 0.00 O ATOM 1747 CB LEU A 118 86.230 17.870 0.824 1.00 0.00 C ATOM 1748 CG LEU A 118 87.153 18.788 0.041 1.00 0.00 C ATOM 1749 CD1 LEU A 118 87.057 20.217 0.580 1.00 0.00 C ATOM 1750 CD2 LEU A 118 88.593 18.293 0.187 1.00 0.00 C ATOM 0 H LEU A 118 84.845 16.004 0.788 1.00 0.00 H new ATOM 0 HA LEU A 118 84.316 18.924 0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 118 86.351 18.055 1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 118 86.511 16.832 0.646 1.00 0.00 H new ATOM 0 HG LEU A 118 86.858 18.782 -1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 118 87.723 20.866 0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 118 86.032 20.574 0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 118 87.348 20.230 1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 118 89.261 18.947 -0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 118 88.875 18.301 1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 118 88.670 17.278 -0.202 1.00 0.00 H new ATOM 1762 N ASP A 119 84.938 19.571 -1.463 1.00 0.00 N ATOM 1763 CA ASP A 119 84.805 19.948 -2.902 1.00 0.00 C ATOM 1764 C ASP A 119 86.064 19.547 -3.676 1.00 0.00 C ATOM 1765 O ASP A 119 87.154 19.994 -3.382 1.00 0.00 O ATOM 1766 CB ASP A 119 84.641 21.467 -2.897 1.00 0.00 C ATOM 1767 CG ASP A 119 84.018 21.919 -4.220 1.00 0.00 C ATOM 1768 OD1 ASP A 119 83.864 21.084 -5.095 1.00 0.00 O ATOM 1769 OD2 ASP A 119 83.706 23.093 -4.333 1.00 0.00 O ATOM 0 H ASP A 119 85.304 20.306 -0.857 1.00 0.00 H new ATOM 0 HA ASP A 119 83.965 19.447 -3.384 1.00 0.00 H new ATOM 0 HB2 ASP A 119 84.009 21.772 -2.063 1.00 0.00 H new ATOM 0 HB3 ASP A 119 85.609 21.947 -2.756 1.00 0.00 H new ATOM 1774 N LYS A 120 85.918 18.704 -4.661 1.00 0.00 N ATOM 1775 CA LYS A 120 87.099 18.267 -5.454 1.00 0.00 C ATOM 1776 C LYS A 120 87.918 19.477 -5.914 1.00 0.00 C ATOM 1777 O LYS A 120 89.084 19.361 -6.238 1.00 0.00 O ATOM 1778 CB LYS A 120 86.512 17.529 -6.658 1.00 0.00 C ATOM 1779 CG LYS A 120 85.992 16.159 -6.218 1.00 0.00 C ATOM 1780 CD LYS A 120 85.798 15.269 -7.447 1.00 0.00 C ATOM 1781 CE LYS A 120 84.586 14.359 -7.234 1.00 0.00 C ATOM 1782 NZ LYS A 120 85.031 13.349 -6.233 1.00 0.00 N ATOM 0 H LYS A 120 85.028 18.298 -4.951 1.00 0.00 H new ATOM 0 HA LYS A 120 87.773 17.637 -4.873 1.00 0.00 H new ATOM 0 HB2 LYS A 120 85.702 18.113 -7.096 1.00 0.00 H new ATOM 0 HB3 LYS A 120 87.272 17.410 -7.430 1.00 0.00 H new ATOM 0 HG2 LYS A 120 86.696 15.695 -5.527 1.00 0.00 H new ATOM 0 HG3 LYS A 120 85.048 16.271 -5.684 1.00 0.00 H new ATOM 0 HD2 LYS A 120 85.652 15.884 -8.335 1.00 0.00 H new ATOM 0 HD3 LYS A 120 86.691 14.668 -7.618 1.00 0.00 H new ATOM 0 HE2 LYS A 120 83.728 14.924 -6.870 1.00 0.00 H new ATOM 0 HE3 LYS A 120 84.282 13.883 -8.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 84.759 12.398 -6.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 86.065 13.397 -6.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 84.580 13.546 -5.317 1.00 0.00 H new ATOM 1796 N LYS A 121 87.322 20.638 -5.946 1.00 0.00 N ATOM 1797 CA LYS A 121 88.072 21.851 -6.386 1.00 0.00 C ATOM 1798 C LYS A 121 89.236 22.121 -5.444 1.00 0.00 C ATOM 1799 O LYS A 121 90.148 22.864 -5.749 1.00 0.00 O ATOM 1800 CB LYS A 121 87.060 22.985 -6.321 1.00 0.00 C ATOM 1801 CG LYS A 121 86.654 23.376 -7.735 1.00 0.00 C ATOM 1802 CD LYS A 121 87.782 24.177 -8.388 1.00 0.00 C ATOM 1803 CE LYS A 121 87.214 25.459 -9.000 1.00 0.00 C ATOM 1804 NZ LYS A 121 87.342 26.486 -7.928 1.00 0.00 N ATOM 0 H LYS A 121 86.349 20.800 -5.687 1.00 0.00 H new ATOM 0 HA LYS A 121 88.493 21.736 -7.385 1.00 0.00 H new ATOM 0 HB2 LYS A 121 86.184 22.674 -5.751 1.00 0.00 H new ATOM 0 HB3 LYS A 121 87.490 23.842 -5.803 1.00 0.00 H new ATOM 0 HG2 LYS A 121 86.440 22.483 -8.323 1.00 0.00 H new ATOM 0 HG3 LYS A 121 85.740 23.969 -7.711 1.00 0.00 H new ATOM 0 HD2 LYS A 121 88.543 24.422 -7.648 1.00 0.00 H new ATOM 0 HD3 LYS A 121 88.268 23.578 -9.159 1.00 0.00 H new ATOM 0 HE2 LYS A 121 87.767 25.749 -9.893 1.00 0.00 H new ATOM 0 HE3 LYS A 121 86.174 25.327 -9.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 86.973 27.395 -8.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 86.799 26.186 -7.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 88.343 26.595 -7.669 1.00 0.00 H new ATOM 1818 N ASN A 122 89.220 21.492 -4.318 1.00 0.00 N ATOM 1819 CA ASN A 122 90.329 21.657 -3.346 1.00 0.00 C ATOM 1820 C ASN A 122 91.267 20.470 -3.494 1.00 0.00 C ATOM 1821 O ASN A 122 92.333 20.410 -2.916 1.00 0.00 O ATOM 1822 CB ASN A 122 89.660 21.625 -1.979 1.00 0.00 C ATOM 1823 CG ASN A 122 89.295 23.046 -1.548 1.00 0.00 C ATOM 1824 OD1 ASN A 122 90.156 23.825 -1.186 1.00 0.00 O ATOM 1825 ND2 ASN A 122 88.045 23.418 -1.572 1.00 0.00 N ATOM 0 H ASN A 122 88.477 20.860 -4.020 1.00 0.00 H new ATOM 0 HA ASN A 122 90.901 22.573 -3.492 1.00 0.00 H new ATOM 0 HB2 ASN A 122 88.764 21.005 -2.017 1.00 0.00 H new ATOM 0 HB3 ASN A 122 90.329 21.174 -1.247 1.00 0.00 H new ATOM 0 HD21 ASN A 122 87.789 24.363 -1.287 1.00 0.00 H new ATOM 0 HD22 ASN A 122 87.324 22.764 -1.876 1.00 0.00 H new ATOM 1832 N CYS A 123 90.843 19.517 -4.266 1.00 0.00 N ATOM 1833 CA CYS A 123 91.647 18.293 -4.483 1.00 0.00 C ATOM 1834 C CYS A 123 92.492 18.428 -5.754 1.00 0.00 C ATOM 1835 O CYS A 123 93.258 17.520 -6.032 1.00 0.00 O ATOM 1836 CB CYS A 123 90.593 17.204 -4.649 1.00 0.00 C ATOM 1837 SG CYS A 123 90.191 16.500 -3.031 1.00 0.00 S ATOM 1838 OXT CYS A 123 92.356 19.437 -6.427 1.00 0.00 O ATOM 0 H CYS A 123 89.954 19.536 -4.766 1.00 0.00 H new ATOM 0 HA CYS A 123 92.346 18.088 -3.672 1.00 0.00 H new ATOM 0 HB2 CYS A 123 89.696 17.618 -5.110 1.00 0.00 H new ATOM 0 HB3 CYS A 123 90.962 16.424 -5.315 1.00 0.00 H new