USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 807 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 35 SER OG : rot 32:sc= 1.16 USER MOD Set 1.2: A 56 ASN : amide:sc= 1.19 K(o=2.3,f=-11!) USER MOD Set 2.1: A 33 HIS : no HE2:sc= 1.8 K(o=3.9,f=-9.4!) USER MOD Set 2.2: A 46 GLN : amide:sc= 2.05 K(o=3.9,f=0.72) USER MOD Set 3.1: A 28 SER OG : rot 150:sc= 0.905 USER MOD Set 3.2: A 49 THR OG1 : rot 51:sc= 1.22 USER MOD Set 4.1: A 14 SER OG : rot 110:sc= 0.948 USER MOD Set 4.2: A 67 SER OG : rot 83:sc= 1.9 USER MOD Single : A 17 SER OG : rot -105:sc= 1.27 USER MOD Single : A 23 GLN : amide:sc= -0.835 X(o=-0.83,f=-0.9) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.505 X(o=-0.5,f=-0.28) USER MOD Single : A 32 THR OG1 : rot -144:sc= 1.15 USER MOD Single : A 36 TYR OH : rot 180:sc= -0.231 USER MOD Single : A 37 ASN : amide:sc= -0.576 K(o=-0.58,f=-12!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0.264 K(o=0.26,f=-0.91) USER MOD Single : A 47 LYS NZ :NH3+ -171:sc= 1.32 (180deg=1.25) USER MOD Single : A 57 HIS : no HD1:sc= 0.559 K(o=0.56,f=-2.5!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.32 USER MOD Single : A 63 LYS NZ :NH3+ 148:sc= 0.0473 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 69 ASN : amide:sc= 0.776 K(o=0.78,f=-1.3) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -78:sc= 1.29 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 93 TYR OH : rot 40:sc= 0.0447 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 85:sc= 1.27 USER MOD Single : A 97 ASN : amide:sc= 0.625 K(o=0.62,f=-1.3!) USER MOD Single : A 98 ASN : amide:sc= 1.18 K(o=1.2,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 171:sc= 0 (180deg=-0.0895) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 3:sc= 1.27 USER MOD Single : A 110 THR OG1 : rot 0:sc= 0.488 USER MOD Single : A 112 ASN : amide:sc= 0.94 K(o=0.94,f=-9.4!) USER MOD Single : A 113 LYS NZ :NH3+ 170:sc= 1.43 (180deg=1.25) USER MOD Single : A 114 ASN : amide:sc=-0.000528 K(o=-0.00053,f=-7.7!) USER MOD Single : A 115 ASN : amide:sc= 0.106 K(o=0.11,f=-15!) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 144:sc= 1.23 (180deg=-0.467) USER MOD Single : A 125 THR OG1 : rot 102:sc= 1.23 USER MOD Single : A 127 LYS NZ :NH3+ -176:sc= 1.14 (180deg=1.13) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 13 -0.115 0.670 0.624 1.00 0.00 N ATOM 2 CA GLU A 13 1.323 0.590 0.399 1.00 0.00 C ATOM 3 C GLU A 13 1.934 1.977 0.241 1.00 0.00 C ATOM 4 O GLU A 13 1.314 2.878 -0.325 1.00 0.00 O ATOM 5 CB GLU A 13 1.623 -0.254 -0.842 1.00 0.00 C ATOM 6 CG GLU A 13 1.208 -1.713 -0.726 1.00 0.00 C ATOM 7 CD GLU A 13 1.466 -2.497 -1.982 1.00 0.00 C ATOM 8 OE1 GLU A 13 1.482 -1.907 -3.035 1.00 0.00 O ATOM 9 OE2 GLU A 13 1.648 -3.688 -1.888 1.00 0.00 O1- ATOM 0 HA GLU A 13 1.770 0.115 1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.115 0.188 -1.699 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.693 -0.208 -1.047 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.748 -2.174 0.101 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.147 -1.765 -0.483 1.00 0.00 H new ATOM 16 N SER A 14 3.152 2.143 0.746 1.00 0.00 N ATOM 17 CA SER A 14 3.704 3.469 0.993 1.00 0.00 C ATOM 18 C SER A 14 4.075 4.163 -0.311 1.00 0.00 C ATOM 19 O SER A 14 4.158 5.390 -0.370 1.00 0.00 O ATOM 20 CB SER A 14 4.925 3.367 1.886 1.00 0.00 C ATOM 21 OG SER A 14 5.986 2.742 1.217 1.00 0.00 O ATOM 0 H SER A 14 3.776 1.374 0.992 1.00 0.00 H new ATOM 0 HA SER A 14 2.939 4.064 1.491 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.229 4.363 2.207 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.676 2.804 2.786 1.00 0.00 H new ATOM 0 HG SER A 14 6.688 3.400 1.031 1.00 0.00 H new ATOM 27 N TRP A 15 4.295 3.372 -1.355 1.00 0.00 N ATOM 28 CA TRP A 15 4.793 3.896 -2.622 1.00 0.00 C ATOM 29 C TRP A 15 3.809 4.885 -3.233 1.00 0.00 C ATOM 30 O TRP A 15 4.189 5.734 -4.040 1.00 0.00 O ATOM 31 CB TRP A 15 5.051 2.753 -3.606 1.00 0.00 C ATOM 32 CG TRP A 15 3.808 2.017 -4.008 1.00 0.00 C ATOM 33 CD1 TRP A 15 3.355 0.841 -3.491 1.00 0.00 C ATOM 34 CD2 TRP A 15 2.847 2.408 -5.018 1.00 0.00 C ATOM 35 NE1 TRP A 15 2.185 0.473 -4.107 1.00 0.00 N ATOM 36 CE2 TRP A 15 1.859 1.421 -5.044 1.00 0.00 C ATOM 37 CE3 TRP A 15 2.748 3.500 -5.889 1.00 0.00 C ATOM 38 CZ2 TRP A 15 0.778 1.487 -5.909 1.00 0.00 C ATOM 39 CZ3 TRP A 15 1.664 3.567 -6.756 1.00 0.00 C ATOM 40 CH2 TRP A 15 0.705 2.586 -6.765 1.00 0.00 C ATOM 0 H TRP A 15 4.136 2.364 -1.349 1.00 0.00 H new ATOM 0 HA TRP A 15 5.729 4.418 -2.421 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.531 3.154 -4.499 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.751 2.049 -3.157 1.00 0.00 H new ATOM 0 HD1 TRP A 15 3.845 0.280 -2.710 1.00 0.00 H new ATOM 0 HE1 TRP A 15 1.646 -0.368 -3.902 1.00 0.00 H new ATOM 0 HE3 TRP A 15 3.500 4.275 -5.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.021 0.717 -5.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 1.575 4.404 -7.433 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.126 2.666 -7.451 1.00 0.00 H new ATOM 51 N VAL A 16 2.544 4.772 -2.843 1.00 0.00 N ATOM 52 CA VAL A 16 1.500 5.643 -3.369 1.00 0.00 C ATOM 53 C VAL A 16 1.724 7.089 -2.946 1.00 0.00 C ATOM 54 O VAL A 16 1.248 8.018 -3.598 1.00 0.00 O ATOM 55 CB VAL A 16 0.117 5.176 -2.876 1.00 0.00 C ATOM 56 CG1 VAL A 16 -0.090 5.566 -1.420 1.00 0.00 C ATOM 57 CG2 VAL A 16 -0.973 5.772 -3.754 1.00 0.00 C ATOM 0 H VAL A 16 2.217 4.085 -2.164 1.00 0.00 H new ATOM 0 HA VAL A 16 1.539 5.588 -4.457 1.00 0.00 H new ATOM 0 HB VAL A 16 0.066 4.089 -2.944 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.072 5.228 -1.089 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.680 5.100 -0.805 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.027 6.650 -1.321 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.948 5.438 -3.400 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.923 6.860 -3.708 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.829 5.446 -4.784 1.00 0.00 H new ATOM 67 N SER A 17 2.453 7.274 -1.850 1.00 0.00 N ATOM 68 CA SER A 17 2.666 8.602 -1.287 1.00 0.00 C ATOM 69 C SER A 17 3.525 9.459 -2.207 1.00 0.00 C ATOM 70 O SER A 17 3.539 10.685 -2.095 1.00 0.00 O ATOM 71 CB SER A 17 3.323 8.491 0.075 1.00 0.00 C ATOM 72 OG SER A 17 2.453 7.908 1.006 1.00 0.00 O ATOM 0 H SER A 17 2.906 6.520 -1.334 1.00 0.00 H new ATOM 0 HA SER A 17 1.694 9.083 -1.182 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.231 7.894 -0.003 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.621 9.481 0.421 1.00 0.00 H new ATOM 0 HG SER A 17 2.106 8.600 1.607 1.00 0.00 H new ATOM 78 N CYS A 18 4.241 8.808 -3.117 1.00 0.00 N ATOM 79 CA CYS A 18 5.088 9.511 -4.073 1.00 0.00 C ATOM 80 C CYS A 18 4.260 10.114 -5.201 1.00 0.00 C ATOM 81 O CYS A 18 4.748 10.948 -5.964 1.00 0.00 O ATOM 82 CB CYS A 18 6.133 8.564 -4.665 1.00 0.00 C ATOM 83 SG CYS A 18 7.375 8.001 -3.477 1.00 0.00 S ATOM 0 H CYS A 18 4.252 7.793 -3.213 1.00 0.00 H new ATOM 0 HA CYS A 18 5.591 10.315 -3.536 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.625 7.695 -5.083 1.00 0.00 H new ATOM 0 HB3 CYS A 18 6.637 9.066 -5.491 1.00 0.00 H new ATOM 88 N LEU A 19 3.006 9.688 -5.301 1.00 0.00 N ATOM 89 CA LEU A 19 2.091 10.227 -6.301 1.00 0.00 C ATOM 90 C LEU A 19 1.029 11.109 -5.657 1.00 0.00 C ATOM 91 O LEU A 19 0.459 11.986 -6.307 1.00 0.00 O ATOM 92 CB LEU A 19 1.418 9.086 -7.073 1.00 0.00 C ATOM 93 CG LEU A 19 2.364 8.147 -7.832 1.00 0.00 C ATOM 94 CD1 LEU A 19 1.557 7.037 -8.492 1.00 0.00 C ATOM 95 CD2 LEU A 19 3.147 8.943 -8.866 1.00 0.00 C ATOM 0 H LEU A 19 2.599 8.970 -4.701 1.00 0.00 H new ATOM 0 HA LEU A 19 2.672 10.838 -6.992 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.833 8.492 -6.371 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.716 9.519 -7.786 1.00 0.00 H new ATOM 0 HG LEU A 19 3.072 7.692 -7.140 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.229 6.370 -9.031 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.022 6.473 -7.728 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.842 7.473 -9.189 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.819 8.276 -9.406 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.455 9.407 -9.569 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.728 9.717 -8.365 1.00 0.00 H new ATOM 107 N ASP A 20 0.767 10.872 -4.376 1.00 0.00 N ATOM 108 CA ASP A 20 -0.244 11.629 -3.648 1.00 0.00 C ATOM 109 C ASP A 20 0.180 13.082 -3.469 1.00 0.00 C ATOM 110 O ASP A 20 1.369 13.399 -3.494 1.00 0.00 O ATOM 111 CB ASP A 20 -0.506 10.996 -2.280 1.00 0.00 C ATOM 112 CG ASP A 20 -1.290 9.693 -2.370 1.00 0.00 C ATOM 113 OD1 ASP A 20 -1.871 9.443 -3.400 1.00 0.00 O ATOM 114 OD2 ASP A 20 -1.301 8.962 -1.409 1.00 0.00 O1- ATOM 0 H ASP A 20 1.242 10.161 -3.820 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.162 11.606 -4.235 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.446 10.808 -1.784 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.055 11.702 -1.658 1.00 0.00 H new ATOM 119 N PRO A 21 -0.801 13.960 -3.288 1.00 0.00 N ATOM 120 CA PRO A 21 -0.531 15.379 -3.090 1.00 0.00 C ATOM 121 C PRO A 21 0.422 15.601 -1.923 1.00 0.00 C ATOM 122 O PRO A 21 0.323 14.935 -0.892 1.00 0.00 O ATOM 123 CB PRO A 21 -1.920 15.957 -2.802 1.00 0.00 C ATOM 124 CG PRO A 21 -2.853 15.037 -3.512 1.00 0.00 C ATOM 125 CD PRO A 21 -2.249 13.671 -3.322 1.00 0.00 C ATOM 0 HA PRO A 21 -0.044 15.849 -3.945 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.126 15.985 -1.732 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -2.011 16.979 -3.171 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -3.858 15.089 -3.093 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.935 15.292 -4.569 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.590 13.202 -2.399 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.508 12.996 -4.138 1.00 0.00 H new ATOM 133 N GLU A 22 1.347 16.540 -2.091 1.00 0.00 N ATOM 134 CA GLU A 22 2.341 16.829 -1.064 1.00 0.00 C ATOM 135 C GLU A 22 1.677 17.188 0.260 1.00 0.00 C ATOM 136 O GLU A 22 0.718 17.959 0.295 1.00 0.00 O ATOM 137 CB GLU A 22 3.256 17.971 -1.513 1.00 0.00 C ATOM 138 CG GLU A 22 4.215 17.603 -2.636 1.00 0.00 C ATOM 139 CD GLU A 22 3.589 17.708 -3.999 1.00 0.00 C ATOM 140 OE1 GLU A 22 2.454 18.114 -4.080 1.00 0.00 O ATOM 141 OE2 GLU A 22 4.246 17.383 -4.959 1.00 0.00 O1- ATOM 0 H GLU A 22 1.429 17.115 -2.930 1.00 0.00 H new ATOM 0 HA GLU A 22 2.938 15.929 -0.916 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.639 18.808 -1.838 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.834 18.315 -0.656 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.087 18.256 -2.591 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.572 16.584 -2.483 1.00 0.00 H new ATOM 148 N GLN A 23 2.194 16.625 1.346 1.00 0.00 N ATOM 149 CA GLN A 23 1.682 16.920 2.679 1.00 0.00 C ATOM 150 C GLN A 23 1.783 18.407 2.992 1.00 0.00 C ATOM 151 O GLN A 23 2.831 19.022 2.796 1.00 0.00 O ATOM 152 CB GLN A 23 2.440 16.111 3.736 1.00 0.00 C ATOM 153 CG GLN A 23 2.119 16.502 5.168 1.00 0.00 C ATOM 154 CD GLN A 23 0.674 16.222 5.535 1.00 0.00 C ATOM 155 OE1 GLN A 23 0.187 15.097 5.384 1.00 0.00 O ATOM 156 NE2 GLN A 23 -0.022 17.244 6.020 1.00 0.00 N ATOM 0 H GLN A 23 2.968 15.961 1.329 1.00 0.00 H new ATOM 0 HA GLN A 23 0.630 16.636 2.700 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.212 15.054 3.600 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.511 16.230 3.570 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.775 15.957 5.846 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.327 17.563 5.307 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.420 18.157 6.128 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.999 17.116 6.284 1.00 0.00 H new ATOM 165 N VAL A 24 0.688 18.980 3.479 1.00 0.00 N ATOM 166 CA VAL A 24 0.643 20.403 3.795 1.00 0.00 C ATOM 167 C VAL A 24 1.527 20.728 4.992 1.00 0.00 C ATOM 168 O VAL A 24 1.468 20.055 6.021 1.00 0.00 O ATOM 169 CB VAL A 24 -0.804 20.838 4.094 1.00 0.00 C ATOM 170 CG1 VAL A 24 -0.837 22.283 4.569 1.00 0.00 C ATOM 171 CG2 VAL A 24 -1.666 20.658 2.854 1.00 0.00 C ATOM 0 H VAL A 24 -0.182 18.480 3.664 1.00 0.00 H new ATOM 0 HA VAL A 24 1.016 20.948 2.928 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.205 20.211 4.890 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.867 22.575 4.776 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.243 22.381 5.477 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.425 22.930 3.794 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.688 20.968 3.073 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.268 21.268 2.043 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.661 19.609 2.556 1.00 0.00 H new ATOM 181 N THR A 25 2.345 21.765 4.852 1.00 0.00 N ATOM 182 CA THR A 25 3.203 22.217 5.941 1.00 0.00 C ATOM 183 C THR A 25 2.381 22.642 7.151 1.00 0.00 C ATOM 184 O THR A 25 1.394 23.366 7.019 1.00 0.00 O ATOM 185 CB THR A 25 4.102 23.383 5.492 1.00 0.00 C ATOM 186 OG1 THR A 25 4.905 22.970 4.378 1.00 0.00 O ATOM 187 CG2 THR A 25 5.010 23.827 6.629 1.00 0.00 C ATOM 0 H THR A 25 2.432 22.309 3.994 1.00 0.00 H new ATOM 0 HA THR A 25 3.834 21.374 6.224 1.00 0.00 H new ATOM 0 HB THR A 25 3.466 24.219 5.201 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.475 23.714 4.092 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.638 24.652 6.292 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.403 24.154 7.473 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.641 22.993 6.938 1.00 0.00 H new ATOM 195 N CYS A 26 2.792 22.187 8.330 1.00 0.00 N ATOM 196 CA CYS A 26 2.006 22.379 9.542 1.00 0.00 C ATOM 197 C CYS A 26 2.892 22.766 10.719 1.00 0.00 C ATOM 198 O CYS A 26 3.957 22.184 10.924 1.00 0.00 O ATOM 199 CB CYS A 26 1.234 21.105 9.889 1.00 0.00 C ATOM 200 SG CYS A 26 0.117 21.280 11.301 1.00 0.00 S ATOM 0 H CYS A 26 3.667 21.682 8.471 1.00 0.00 H new ATOM 0 HA CYS A 26 1.303 23.190 9.350 1.00 0.00 H new ATOM 0 HB2 CYS A 26 0.656 20.795 9.018 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.946 20.307 10.100 1.00 0.00 H new ATOM 205 N GLU A 27 2.447 23.753 11.489 1.00 0.00 N ATOM 206 CA GLU A 27 3.178 24.192 12.671 1.00 0.00 C ATOM 207 C GLU A 27 2.976 23.229 13.833 1.00 0.00 C ATOM 208 O GLU A 27 2.346 23.571 14.834 1.00 0.00 O ATOM 209 CB GLU A 27 2.736 25.599 13.080 1.00 0.00 C ATOM 210 CG GLU A 27 3.140 26.694 12.102 1.00 0.00 C ATOM 211 CD GLU A 27 4.627 26.908 12.044 1.00 0.00 C ATOM 212 OE1 GLU A 27 5.293 26.579 12.996 1.00 0.00 O ATOM 213 OE2 GLU A 27 5.097 27.400 11.045 1.00 0.00 O1- ATOM 0 H GLU A 27 1.582 24.265 11.315 1.00 0.00 H new ATOM 0 HA GLU A 27 4.238 24.208 12.419 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.652 25.609 13.190 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.157 25.829 14.059 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.776 26.438 11.107 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.655 27.627 12.388 1.00 0.00 H new ATOM 220 N SER A 28 3.514 22.022 13.695 1.00 0.00 N ATOM 221 CA SER A 28 3.381 21.001 14.727 1.00 0.00 C ATOM 222 C SER A 28 4.539 21.062 15.715 1.00 0.00 C ATOM 223 O SER A 28 5.692 21.243 15.323 1.00 0.00 O ATOM 224 CB SER A 28 3.317 19.624 14.095 1.00 0.00 C ATOM 225 OG SER A 28 3.250 18.624 15.074 1.00 0.00 O ATOM 0 H SER A 28 4.047 21.727 12.877 1.00 0.00 H new ATOM 0 HA SER A 28 2.456 21.193 15.271 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.445 19.559 13.444 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.195 19.466 13.469 1.00 0.00 H new ATOM 0 HG SER A 28 2.752 17.856 14.724 1.00 0.00 H new ATOM 231 N GLN A 29 4.226 20.910 16.997 1.00 0.00 N ATOM 232 CA GLN A 29 5.227 21.027 18.050 1.00 0.00 C ATOM 233 C GLN A 29 6.262 19.914 17.952 1.00 0.00 C ATOM 234 O GLN A 29 5.968 18.752 18.234 1.00 0.00 O ATOM 235 CB GLN A 29 4.562 21.002 19.428 1.00 0.00 C ATOM 236 CG GLN A 29 5.525 21.183 20.588 1.00 0.00 C ATOM 237 CD GLN A 29 6.123 22.577 20.632 1.00 0.00 C ATOM 238 OE1 GLN A 29 5.417 23.576 20.465 1.00 0.00 O ATOM 239 NE2 GLN A 29 7.429 22.653 20.857 1.00 0.00 N ATOM 0 H GLN A 29 3.285 20.705 17.332 1.00 0.00 H new ATOM 0 HA GLN A 29 5.737 21.982 17.919 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.809 21.789 19.470 1.00 0.00 H new ATOM 0 HB3 GLN A 29 4.039 20.053 19.549 1.00 0.00 H new ATOM 0 HG2 GLN A 29 5.003 20.985 21.524 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.327 20.449 20.509 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.974 21.801 20.989 1.00 0.00 H new ATOM 0 HE22 GLN A 29 7.887 23.563 20.897 1.00 0.00 H new ATOM 248 N GLU A 30 7.476 20.275 17.550 1.00 0.00 N ATOM 249 CA GLU A 30 8.537 19.297 17.341 1.00 0.00 C ATOM 250 C GLU A 30 8.094 18.200 16.382 1.00 0.00 C ATOM 251 O GLU A 30 8.441 17.032 16.556 1.00 0.00 O ATOM 252 CB GLU A 30 8.963 18.679 18.675 1.00 0.00 C ATOM 253 CG GLU A 30 9.518 19.677 19.681 1.00 0.00 C ATOM 254 CD GLU A 30 10.000 19.025 20.947 1.00 0.00 C ATOM 255 OE1 GLU A 30 9.832 17.837 21.082 1.00 0.00 O ATOM 256 OE2 GLU A 30 10.536 19.716 21.781 1.00 0.00 O1- ATOM 0 H GLU A 30 7.750 21.239 17.362 1.00 0.00 H new ATOM 0 HA GLU A 30 9.387 19.817 16.899 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.105 18.174 19.118 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.718 17.916 18.484 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.342 20.225 19.224 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.746 20.407 19.925 1.00 0.00 H new ATOM 263 N GLY A 31 7.325 18.583 15.368 1.00 0.00 N ATOM 264 CA GLY A 31 6.841 17.635 14.372 1.00 0.00 C ATOM 265 C GLY A 31 7.492 17.878 13.017 1.00 0.00 C ATOM 266 O GLY A 31 7.497 19.001 12.513 1.00 0.00 O ATOM 0 H GLY A 31 7.023 19.545 15.215 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.052 16.618 14.702 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.758 17.722 14.279 1.00 0.00 H new ATOM 270 N THR A 32 8.040 16.819 12.431 1.00 0.00 N ATOM 271 CA THR A 32 8.735 16.924 11.154 1.00 0.00 C ATOM 272 C THR A 32 8.642 15.623 10.367 1.00 0.00 C ATOM 273 O THR A 32 8.517 14.544 10.946 1.00 0.00 O ATOM 274 CB THR A 32 10.214 17.301 11.357 1.00 0.00 C ATOM 275 OG1 THR A 32 10.830 17.532 10.083 1.00 0.00 O ATOM 276 CG2 THR A 32 10.954 16.186 12.079 1.00 0.00 C ATOM 0 H THR A 32 8.016 15.877 12.821 1.00 0.00 H new ATOM 0 HA THR A 32 8.245 17.714 10.584 1.00 0.00 H new ATOM 0 HB THR A 32 10.263 18.207 11.962 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.758 17.218 10.106 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.998 16.470 12.214 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.495 16.016 13.053 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.900 15.272 11.488 1.00 0.00 H new ATOM 284 N HIS A 33 8.704 15.731 9.044 1.00 0.00 N ATOM 285 CA HIS A 33 8.582 14.568 8.174 1.00 0.00 C ATOM 286 C HIS A 33 9.258 14.812 6.830 1.00 0.00 C ATOM 287 O HIS A 33 9.554 15.952 6.472 1.00 0.00 O ATOM 288 CB HIS A 33 7.109 14.209 7.953 1.00 0.00 C ATOM 289 CG HIS A 33 6.331 15.270 7.239 1.00 0.00 C ATOM 290 ND1 HIS A 33 5.701 16.303 7.901 1.00 0.00 N ATOM 291 CD2 HIS A 33 6.081 15.459 5.922 1.00 0.00 C ATOM 292 CE1 HIS A 33 5.097 17.082 7.020 1.00 0.00 C ATOM 293 NE2 HIS A 33 5.312 16.591 5.813 1.00 0.00 N ATOM 0 H HIS A 33 8.838 16.614 8.551 1.00 0.00 H new ATOM 0 HA HIS A 33 9.082 13.735 8.668 1.00 0.00 H new ATOM 0 HB2 HIS A 33 7.052 13.283 7.382 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.642 14.017 8.919 1.00 0.00 H new ATOM 0 HD1 HIS A 33 5.701 16.444 8.911 1.00 0.00 H new ATOM 0 HD2 HIS A 33 6.423 14.836 5.109 1.00 0.00 H new ATOM 0 HE1 HIS A 33 4.525 17.969 7.249 1.00 0.00 H new ATOM 301 N ALA A 34 9.499 13.735 6.091 1.00 0.00 N ATOM 302 CA ALA A 34 9.973 13.840 4.716 1.00 0.00 C ATOM 303 C ALA A 34 8.816 13.779 3.728 1.00 0.00 C ATOM 304 O ALA A 34 7.772 13.195 4.016 1.00 0.00 O ATOM 305 CB ALA A 34 10.982 12.740 4.418 1.00 0.00 C ATOM 0 H ALA A 34 9.374 12.778 6.421 1.00 0.00 H new ATOM 0 HA ALA A 34 10.462 14.807 4.602 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.327 12.832 3.388 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.832 12.833 5.094 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.511 11.767 4.558 1.00 0.00 H new ATOM 311 N SER A 35 9.008 14.386 2.562 1.00 0.00 N ATOM 312 CA SER A 35 7.969 14.426 1.539 1.00 0.00 C ATOM 313 C SER A 35 8.573 14.404 0.140 1.00 0.00 C ATOM 314 O SER A 35 9.662 14.931 -0.084 1.00 0.00 O ATOM 315 CB SER A 35 7.114 15.666 1.711 1.00 0.00 C ATOM 316 OG SER A 35 6.133 15.742 0.713 1.00 0.00 O ATOM 0 H SER A 35 9.874 14.857 2.301 1.00 0.00 H new ATOM 0 HA SER A 35 7.347 13.539 1.657 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.639 15.652 2.692 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.744 16.555 1.675 1.00 0.00 H new ATOM 0 HG SER A 35 5.854 14.838 0.459 1.00 0.00 H new ATOM 322 N TYR A 36 7.858 13.792 -0.797 1.00 0.00 N ATOM 323 CA TYR A 36 8.312 13.718 -2.181 1.00 0.00 C ATOM 324 C TYR A 36 7.766 14.878 -3.003 1.00 0.00 C ATOM 325 O TYR A 36 6.569 14.945 -3.281 1.00 0.00 O ATOM 326 CB TYR A 36 7.902 12.384 -2.808 1.00 0.00 C ATOM 327 CG TYR A 36 8.345 12.223 -4.246 1.00 0.00 C ATOM 328 CD1 TYR A 36 9.675 11.954 -4.536 1.00 0.00 C ATOM 329 CD2 TYR A 36 7.422 12.345 -5.274 1.00 0.00 C ATOM 330 CE1 TYR A 36 10.080 11.807 -5.848 1.00 0.00 C ATOM 331 CE2 TYR A 36 7.827 12.199 -6.586 1.00 0.00 C ATOM 332 CZ TYR A 36 9.150 11.931 -6.875 1.00 0.00 C ATOM 333 OH TYR A 36 9.553 11.785 -8.182 1.00 0.00 O ATOM 0 H TYR A 36 6.961 13.339 -0.623 1.00 0.00 H new ATOM 0 HA TYR A 36 9.400 13.787 -2.180 1.00 0.00 H new ATOM 0 HB2 TYR A 36 8.321 11.571 -2.215 1.00 0.00 H new ATOM 0 HB3 TYR A 36 6.817 12.288 -2.759 1.00 0.00 H new ATOM 0 HD1 TYR A 36 10.394 11.860 -3.735 1.00 0.00 H new ATOM 0 HD2 TYR A 36 6.387 12.554 -5.048 1.00 0.00 H new ATOM 0 HE1 TYR A 36 11.115 11.597 -6.076 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.108 12.295 -7.386 1.00 0.00 H new ATOM 0 HH TYR A 36 8.783 11.900 -8.777 1.00 0.00 H new ATOM 343 N ASN A 37 8.650 15.791 -3.389 1.00 0.00 N ATOM 344 CA ASN A 37 8.257 16.957 -4.171 1.00 0.00 C ATOM 345 C ASN A 37 8.175 16.623 -5.655 1.00 0.00 C ATOM 346 O ASN A 37 9.196 16.494 -6.329 1.00 0.00 O ATOM 347 CB ASN A 37 9.217 18.108 -3.935 1.00 0.00 C ATOM 348 CG ASN A 37 8.773 19.378 -4.604 1.00 0.00 C ATOM 349 OD1 ASN A 37 8.128 19.346 -5.659 1.00 0.00 O ATOM 350 ND2 ASN A 37 9.104 20.497 -4.012 1.00 0.00 N ATOM 0 H ASN A 37 9.646 15.746 -3.172 1.00 0.00 H new ATOM 0 HA ASN A 37 7.264 17.262 -3.841 1.00 0.00 H new ATOM 0 HB2 ASN A 37 9.314 18.281 -2.863 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.205 17.834 -4.304 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.829 21.391 -4.420 1.00 0.00 H new ATOM 0 HD22 ASN A 37 9.637 20.476 -3.143 1.00 0.00 H new ATOM 357 N ARG A 38 6.953 16.482 -6.158 1.00 0.00 N ATOM 358 CA ARG A 38 6.732 15.939 -7.493 1.00 0.00 C ATOM 359 C ARG A 38 7.160 16.930 -8.568 1.00 0.00 C ATOM 360 O ARG A 38 7.362 16.557 -9.724 1.00 0.00 O ATOM 361 CB ARG A 38 5.266 15.583 -7.690 1.00 0.00 C ATOM 362 CG ARG A 38 4.757 14.457 -6.805 1.00 0.00 C ATOM 363 CD ARG A 38 3.283 14.303 -6.906 1.00 0.00 C ATOM 364 NE ARG A 38 2.581 15.493 -6.453 1.00 0.00 N ATOM 365 CZ ARG A 38 1.257 15.699 -6.591 1.00 0.00 C ATOM 366 NH1 ARG A 38 0.507 14.788 -7.171 1.00 0.00 N1+ ATOM 367 NH2 ARG A 38 0.712 16.817 -6.145 1.00 0.00 N ATOM 0 H ARG A 38 6.100 16.737 -5.660 1.00 0.00 H new ATOM 0 HA ARG A 38 7.339 15.038 -7.585 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.663 16.472 -7.505 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.112 15.305 -8.732 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.241 13.523 -7.090 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.032 14.655 -5.769 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.010 14.092 -7.940 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.966 13.446 -6.312 1.00 0.00 H new ATOM 0 HE ARG A 38 3.130 16.223 -5.999 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.928 13.925 -7.516 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.496 14.944 -7.276 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.294 17.524 -5.696 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.291 16.973 -6.250 1.00 0.00 H new ATOM 381 N LYS A 39 7.296 18.194 -8.181 1.00 0.00 N ATOM 382 CA LYS A 39 7.679 19.244 -9.116 1.00 0.00 C ATOM 383 C LYS A 39 9.168 19.186 -9.431 1.00 0.00 C ATOM 384 O LYS A 39 9.620 19.720 -10.444 1.00 0.00 O ATOM 385 CB LYS A 39 7.313 20.620 -8.556 1.00 0.00 C ATOM 386 CG LYS A 39 5.816 20.881 -8.457 1.00 0.00 C ATOM 387 CD LYS A 39 5.533 22.262 -7.885 1.00 0.00 C ATOM 388 CE LYS A 39 4.037 22.527 -7.792 1.00 0.00 C ATOM 389 NZ LYS A 39 3.744 23.861 -7.200 1.00 0.00 N1+ ATOM 0 H LYS A 39 7.146 18.516 -7.225 1.00 0.00 H new ATOM 0 HA LYS A 39 7.129 19.081 -10.043 1.00 0.00 H new ATOM 0 HB2 LYS A 39 7.754 20.724 -7.565 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.762 21.387 -9.187 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.363 20.794 -9.445 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.353 20.122 -7.826 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.982 22.347 -6.895 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.000 23.021 -8.513 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.595 22.467 -8.787 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.568 21.751 -7.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.715 24.002 -7.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.143 23.910 -6.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.169 24.604 -7.791 1.00 0.00 H new ATOM 403 N THR A 40 9.927 18.534 -8.556 1.00 0.00 N ATOM 404 CA THR A 40 11.370 18.418 -8.731 1.00 0.00 C ATOM 405 C THR A 40 11.789 16.964 -8.905 1.00 0.00 C ATOM 406 O THR A 40 12.835 16.675 -9.486 1.00 0.00 O ATOM 407 CB THR A 40 12.124 19.034 -7.538 1.00 0.00 C ATOM 408 OG1 THR A 40 11.783 18.329 -6.338 1.00 0.00 O ATOM 409 CG2 THR A 40 11.762 20.503 -7.379 1.00 0.00 C ATOM 0 H THR A 40 9.566 18.078 -7.718 1.00 0.00 H new ATOM 0 HA THR A 40 11.630 18.968 -9.635 1.00 0.00 H new ATOM 0 HB THR A 40 13.195 18.952 -7.723 1.00 0.00 H new ATOM 0 HG1 THR A 40 12.265 18.721 -5.580 1.00 0.00 H new ATOM 0 HG21 THR A 40 12.304 20.922 -6.531 1.00 0.00 H new ATOM 0 HG22 THR A 40 12.032 21.044 -8.286 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.690 20.597 -7.206 1.00 0.00 H new ATOM 417 N GLY A 41 10.966 16.052 -8.398 1.00 0.00 N ATOM 418 CA GLY A 41 11.288 14.631 -8.425 1.00 0.00 C ATOM 419 C GLY A 41 12.232 14.259 -7.289 1.00 0.00 C ATOM 420 O GLY A 41 12.956 13.266 -7.369 1.00 0.00 O ATOM 0 H GLY A 41 10.070 16.273 -7.963 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.372 14.046 -8.346 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.747 14.377 -9.381 1.00 0.00 H new ATOM 424 N GLN A 42 12.221 15.061 -6.230 1.00 0.00 N ATOM 425 CA GLN A 42 13.168 14.897 -5.134 1.00 0.00 C ATOM 426 C GLN A 42 12.448 14.786 -3.796 1.00 0.00 C ATOM 427 O GLN A 42 11.253 15.062 -3.699 1.00 0.00 O ATOM 428 CB GLN A 42 14.157 16.066 -5.100 1.00 0.00 C ATOM 429 CG GLN A 42 15.014 16.192 -6.347 1.00 0.00 C ATOM 430 CD GLN A 42 15.972 17.366 -6.274 1.00 0.00 C ATOM 431 OE1 GLN A 42 15.864 18.220 -5.390 1.00 0.00 O ATOM 432 NE2 GLN A 42 16.918 17.416 -7.205 1.00 0.00 N ATOM 0 H GLN A 42 11.565 15.833 -6.108 1.00 0.00 H new ATOM 0 HA GLN A 42 13.717 13.971 -5.305 1.00 0.00 H new ATOM 0 HB2 GLN A 42 13.602 16.993 -4.959 1.00 0.00 H new ATOM 0 HB3 GLN A 42 14.809 15.950 -4.234 1.00 0.00 H new ATOM 0 HG2 GLN A 42 15.581 15.272 -6.489 1.00 0.00 H new ATOM 0 HG3 GLN A 42 14.369 16.307 -7.218 1.00 0.00 H new ATOM 0 HE21 GLN A 42 16.971 16.688 -7.918 1.00 0.00 H new ATOM 0 HE22 GLN A 42 17.592 18.182 -7.207 1.00 0.00 H new ATOM 441 N CYS A 43 13.183 14.379 -2.766 1.00 0.00 N ATOM 442 CA CYS A 43 12.635 14.299 -1.418 1.00 0.00 C ATOM 443 C CYS A 43 13.231 15.372 -0.516 1.00 0.00 C ATOM 444 O CYS A 43 14.399 15.735 -0.656 1.00 0.00 O ATOM 445 CB CYS A 43 12.903 12.922 -0.809 1.00 0.00 C ATOM 446 SG CYS A 43 12.140 11.554 -1.714 1.00 0.00 S ATOM 0 H CYS A 43 14.161 14.099 -2.840 1.00 0.00 H new ATOM 0 HA CYS A 43 11.560 14.460 -1.493 1.00 0.00 H new ATOM 0 HB2 CYS A 43 13.980 12.759 -0.765 1.00 0.00 H new ATOM 0 HB3 CYS A 43 12.537 12.913 0.218 1.00 0.00 H new ATOM 451 N GLU A 44 12.423 15.876 0.410 1.00 0.00 N ATOM 452 CA GLU A 44 12.862 16.926 1.321 1.00 0.00 C ATOM 453 C GLU A 44 12.135 16.837 2.657 1.00 0.00 C ATOM 454 O GLU A 44 11.036 16.287 2.741 1.00 0.00 O ATOM 455 CB GLU A 44 12.632 18.304 0.696 1.00 0.00 C ATOM 456 CG GLU A 44 11.172 18.636 0.424 1.00 0.00 C ATOM 457 CD GLU A 44 10.991 19.961 -0.264 1.00 0.00 C ATOM 458 OE1 GLU A 44 11.490 20.940 0.236 1.00 0.00 O ATOM 459 OE2 GLU A 44 10.352 19.993 -1.289 1.00 0.00 O1- ATOM 0 H GLU A 44 11.459 15.574 0.550 1.00 0.00 H new ATOM 0 HA GLU A 44 13.928 16.786 1.501 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.047 19.064 1.358 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.186 18.361 -0.241 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.735 17.850 -0.192 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.625 18.644 1.367 1.00 0.00 H new ATOM 466 N GLU A 45 12.754 17.380 3.699 1.00 0.00 N ATOM 467 CA GLU A 45 12.158 17.380 5.030 1.00 0.00 C ATOM 468 C GLU A 45 11.451 18.699 5.316 1.00 0.00 C ATOM 469 O GLU A 45 11.957 19.770 4.982 1.00 0.00 O ATOM 470 CB GLU A 45 13.227 17.121 6.093 1.00 0.00 C ATOM 471 CG GLU A 45 12.693 17.048 7.517 1.00 0.00 C ATOM 472 CD GLU A 45 13.768 16.776 8.532 1.00 0.00 C ATOM 473 OE1 GLU A 45 14.889 16.558 8.138 1.00 0.00 O ATOM 474 OE2 GLU A 45 13.468 16.786 9.703 1.00 0.00 O1- ATOM 0 H GLU A 45 13.670 17.827 3.648 1.00 0.00 H new ATOM 0 HA GLU A 45 11.419 16.580 5.065 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.735 16.185 5.860 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.975 17.912 6.039 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.198 17.988 7.763 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.938 16.265 7.577 1.00 0.00 H new ATOM 481 N GLN A 46 10.280 18.614 5.937 1.00 0.00 N ATOM 482 CA GLN A 46 9.485 19.798 6.238 1.00 0.00 C ATOM 483 C GLN A 46 8.744 19.643 7.560 1.00 0.00 C ATOM 484 O GLN A 46 8.498 18.527 8.018 1.00 0.00 O ATOM 485 CB GLN A 46 8.488 20.075 5.110 1.00 0.00 C ATOM 486 CG GLN A 46 7.471 18.968 4.891 1.00 0.00 C ATOM 487 CD GLN A 46 6.493 19.292 3.779 1.00 0.00 C ATOM 488 OE1 GLN A 46 6.707 20.221 2.995 1.00 0.00 O ATOM 489 NE2 GLN A 46 5.410 18.526 3.702 1.00 0.00 N ATOM 0 H GLN A 46 9.860 17.736 6.242 1.00 0.00 H new ATOM 0 HA GLN A 46 10.168 20.643 6.325 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.958 21.002 5.329 1.00 0.00 H new ATOM 0 HB3 GLN A 46 9.040 20.234 4.184 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.993 18.041 4.653 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.921 18.796 5.816 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.273 17.768 4.371 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.716 18.696 2.974 1.00 0.00 H new ATOM 498 N LYS A 47 8.390 20.769 8.170 1.00 0.00 N ATOM 499 CA LYS A 47 7.699 20.761 9.454 1.00 0.00 C ATOM 500 C LYS A 47 6.219 20.445 9.280 1.00 0.00 C ATOM 501 O LYS A 47 5.567 20.959 8.371 1.00 0.00 O ATOM 502 CB LYS A 47 7.871 22.105 10.164 1.00 0.00 C ATOM 503 CG LYS A 47 7.304 22.147 11.576 1.00 0.00 C ATOM 504 CD LYS A 47 7.499 23.516 12.210 1.00 0.00 C ATOM 505 CE LYS A 47 6.986 23.543 13.642 1.00 0.00 C ATOM 506 NZ LYS A 47 7.110 24.895 14.252 1.00 0.00 N1+ ATOM 0 H LYS A 47 8.571 21.700 7.795 1.00 0.00 H new ATOM 0 HA LYS A 47 8.145 19.978 10.068 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.933 22.347 10.205 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.389 22.881 9.569 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.242 21.904 11.551 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.791 21.388 12.188 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.557 23.778 12.196 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.976 24.269 11.620 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.942 23.232 13.659 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.543 22.822 14.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.895 24.839 15.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.080 25.247 14.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.442 25.546 13.792 1.00 0.00 H new ATOM 520 N GLY A 48 5.693 19.598 10.158 1.00 0.00 N ATOM 521 CA GLY A 48 4.264 19.308 10.182 1.00 0.00 C ATOM 522 C GLY A 48 4.005 17.842 10.505 1.00 0.00 C ATOM 523 O GLY A 48 4.877 16.993 10.325 1.00 0.00 O ATOM 0 H GLY A 48 6.236 19.100 10.863 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.775 19.939 10.924 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.824 19.553 9.215 1.00 0.00 H new ATOM 527 N THR A 49 2.800 17.552 10.984 1.00 0.00 N ATOM 528 CA THR A 49 2.393 16.178 11.253 1.00 0.00 C ATOM 529 C THR A 49 0.962 15.927 10.795 1.00 0.00 C ATOM 530 O THR A 49 0.036 15.905 11.606 1.00 0.00 O ATOM 531 CB THR A 49 2.523 15.844 12.751 1.00 0.00 C ATOM 532 OG1 THR A 49 1.782 16.799 13.521 1.00 0.00 O ATOM 533 CG2 THR A 49 3.982 15.875 13.179 1.00 0.00 C ATOM 0 H THR A 49 2.088 18.251 11.194 1.00 0.00 H new ATOM 0 HA THR A 49 3.061 15.528 10.688 1.00 0.00 H new ATOM 0 HB THR A 49 2.127 14.843 12.921 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.873 16.874 13.162 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.055 15.637 14.240 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.546 15.141 12.603 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.392 16.869 13.001 1.00 0.00 H new ATOM 541 N GLU A 50 0.788 15.737 9.492 1.00 0.00 N ATOM 542 CA GLU A 50 -0.480 15.263 8.949 1.00 0.00 C ATOM 543 C GLU A 50 -1.603 16.253 9.227 1.00 0.00 C ATOM 544 O GLU A 50 -2.632 15.894 9.800 1.00 0.00 O ATOM 545 CB GLU A 50 -0.834 13.896 9.539 1.00 0.00 C ATOM 546 CG GLU A 50 0.166 12.794 9.217 1.00 0.00 C ATOM 547 CD GLU A 50 -0.266 11.446 9.722 1.00 0.00 C ATOM 548 OE1 GLU A 50 -1.116 11.398 10.579 1.00 0.00 O ATOM 549 OE2 GLU A 50 0.253 10.462 9.249 1.00 0.00 O1- ATOM 0 H GLU A 50 1.510 15.904 8.791 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.366 15.169 7.869 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.915 13.991 10.622 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.816 13.598 9.171 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.308 12.743 8.137 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.132 13.048 9.654 1.00 0.00 H new ATOM 556 N CYS A 51 -1.400 17.501 8.818 1.00 0.00 N ATOM 557 CA CYS A 51 -2.435 18.522 8.931 1.00 0.00 C ATOM 558 C CYS A 51 -3.033 18.853 7.570 1.00 0.00 C ATOM 559 O CYS A 51 -2.897 19.973 7.077 1.00 0.00 O ATOM 560 CB CYS A 51 -1.867 19.796 9.556 1.00 0.00 C ATOM 561 SG CYS A 51 -1.052 19.537 11.150 1.00 0.00 S ATOM 0 H CYS A 51 -0.527 17.830 8.405 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.220 18.122 9.572 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -1.153 20.241 8.863 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.675 20.516 9.686 1.00 0.00 H new ATOM 566 N GLY A 52 -3.696 17.872 6.967 1.00 0.00 N ATOM 567 CA GLY A 52 -4.358 18.072 5.683 1.00 0.00 C ATOM 568 C GLY A 52 -3.420 17.758 4.525 1.00 0.00 C ATOM 569 O GLY A 52 -2.221 17.560 4.721 1.00 0.00 O ATOM 0 H GLY A 52 -3.789 16.930 7.347 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.240 17.435 5.623 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.703 19.103 5.606 1.00 0.00 H new ATOM 573 N GLY A 53 -3.972 17.715 3.317 1.00 0.00 N ATOM 574 CA GLY A 53 -3.200 17.356 2.134 1.00 0.00 C ATOM 575 C GLY A 53 -3.406 15.893 1.764 1.00 0.00 C ATOM 576 O GLY A 53 -4.428 15.295 2.102 1.00 0.00 O ATOM 0 H GLY A 53 -4.953 17.925 3.132 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.495 17.990 1.298 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.142 17.542 2.317 1.00 0.00 H new ATOM 580 N GLY A 54 -2.430 15.321 1.068 1.00 0.00 N ATOM 581 CA GLY A 54 -2.478 13.912 0.696 1.00 0.00 C ATOM 582 C GLY A 54 -1.753 13.047 1.719 1.00 0.00 C ATOM 583 O GLY A 54 -1.565 13.451 2.866 1.00 0.00 O ATOM 0 H GLY A 54 -1.595 15.812 0.750 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.516 13.590 0.614 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.024 13.777 -0.286 1.00 0.00 H new ATOM 587 N GLU A 55 -1.347 11.854 1.296 1.00 0.00 N ATOM 588 CA GLU A 55 -0.581 10.958 2.153 1.00 0.00 C ATOM 589 C GLU A 55 0.910 11.049 1.854 1.00 0.00 C ATOM 590 O GLU A 55 1.682 10.162 2.217 1.00 0.00 O ATOM 591 CB GLU A 55 -1.058 9.514 1.978 1.00 0.00 C ATOM 592 CG GLU A 55 -2.509 9.280 2.374 1.00 0.00 C ATOM 593 CD GLU A 55 -2.762 9.520 3.836 1.00 0.00 C ATOM 594 OE1 GLU A 55 -1.928 9.160 4.631 1.00 0.00 O ATOM 595 OE2 GLU A 55 -3.792 10.064 4.159 1.00 0.00 O1- ATOM 0 H GLU A 55 -1.536 11.486 0.364 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.744 11.267 3.186 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.927 9.225 0.935 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.421 8.859 2.573 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.151 9.936 1.787 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.788 8.256 2.125 1.00 0.00 H new ATOM 602 N ASN A 56 1.310 12.128 1.190 1.00 0.00 N ATOM 603 CA ASN A 56 2.696 12.302 0.774 1.00 0.00 C ATOM 604 C ASN A 56 3.568 12.753 1.938 1.00 0.00 C ATOM 605 O ASN A 56 3.930 13.926 2.038 1.00 0.00 O ATOM 606 CB ASN A 56 2.789 13.288 -0.376 1.00 0.00 C ATOM 607 CG ASN A 56 4.184 13.408 -0.923 1.00 0.00 C ATOM 608 OD1 ASN A 56 5.167 13.299 -0.181 1.00 0.00 O ATOM 609 ND2 ASN A 56 4.290 13.630 -2.209 1.00 0.00 N ATOM 0 H ASN A 56 0.692 12.896 0.928 1.00 0.00 H new ATOM 0 HA ASN A 56 3.067 11.336 0.432 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.116 12.975 -1.174 1.00 0.00 H new ATOM 0 HB3 ASN A 56 2.450 14.267 -0.039 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.212 13.720 -2.637 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.451 13.713 -2.783 1.00 0.00 H new ATOM 616 N HIS A 57 3.903 11.816 2.818 1.00 0.00 N ATOM 617 CA HIS A 57 4.847 12.079 3.897 1.00 0.00 C ATOM 618 C HIS A 57 5.499 10.792 4.385 1.00 0.00 C ATOM 619 O HIS A 57 4.887 9.724 4.354 1.00 0.00 O ATOM 620 CB HIS A 57 4.150 12.781 5.067 1.00 0.00 C ATOM 621 CG HIS A 57 3.011 12.000 5.644 1.00 0.00 C ATOM 622 ND1 HIS A 57 1.785 11.902 5.020 1.00 0.00 N ATOM 623 CD2 HIS A 57 2.910 11.282 6.787 1.00 0.00 C ATOM 624 CE1 HIS A 57 0.979 11.155 5.756 1.00 0.00 C ATOM 625 NE2 HIS A 57 1.638 10.768 6.832 1.00 0.00 N ATOM 0 H HIS A 57 3.534 10.865 2.805 1.00 0.00 H new ATOM 0 HA HIS A 57 5.624 12.733 3.501 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.882 12.973 5.852 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.781 13.750 4.730 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.685 11.140 7.525 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.044 10.904 5.517 1.00 0.00 H new ATOM 0 HE2 HIS A 57 1.263 10.181 7.577 1.00 0.00 H new ATOM 633 N PHE A 58 6.744 10.900 4.836 1.00 0.00 N ATOM 634 CA PHE A 58 7.556 9.725 5.132 1.00 0.00 C ATOM 635 C PHE A 58 8.307 9.892 6.446 1.00 0.00 C ATOM 636 O PHE A 58 8.511 11.010 6.919 1.00 0.00 O ATOM 637 CB PHE A 58 8.551 9.465 4.000 1.00 0.00 C ATOM 638 CG PHE A 58 7.911 9.342 2.646 1.00 0.00 C ATOM 639 CD1 PHE A 58 7.782 10.450 1.822 1.00 0.00 C ATOM 640 CD2 PHE A 58 7.436 8.120 2.195 1.00 0.00 C ATOM 641 CE1 PHE A 58 7.192 10.339 0.576 1.00 0.00 C ATOM 642 CE2 PHE A 58 6.848 8.006 0.951 1.00 0.00 C ATOM 643 CZ PHE A 58 6.726 9.117 0.141 1.00 0.00 C ATOM 0 H PHE A 58 7.213 11.790 5.005 1.00 0.00 H new ATOM 0 HA PHE A 58 6.884 8.872 5.224 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.279 10.276 3.975 1.00 0.00 H new ATOM 0 HB3 PHE A 58 9.101 8.549 4.216 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.146 11.410 2.157 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.527 7.247 2.824 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.096 11.210 -0.056 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.484 7.048 0.612 1.00 0.00 H new ATOM 0 HZ PHE A 58 6.266 9.029 -0.832 1.00 0.00 H new ATOM 653 N GLU A 59 8.718 8.772 7.033 1.00 0.00 N ATOM 654 CA GLU A 59 9.542 8.796 8.236 1.00 0.00 C ATOM 655 C GLU A 59 10.820 9.594 8.013 1.00 0.00 C ATOM 656 O GLU A 59 11.178 10.449 8.823 1.00 0.00 O ATOM 657 CB GLU A 59 9.890 7.371 8.672 1.00 0.00 C ATOM 658 CG GLU A 59 10.742 7.288 9.931 1.00 0.00 C ATOM 659 CD GLU A 59 11.049 5.874 10.337 1.00 0.00 C ATOM 660 OE1 GLU A 59 10.607 4.973 9.666 1.00 0.00 O ATOM 661 OE2 GLU A 59 11.728 5.695 11.321 1.00 0.00 O1- ATOM 0 H GLU A 59 8.494 7.836 6.695 1.00 0.00 H new ATOM 0 HA GLU A 59 8.967 9.282 9.024 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.965 6.819 8.837 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.417 6.874 7.858 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.676 7.825 9.767 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.224 7.791 10.748 1.00 0.00 H new ATOM 668 N THR A 60 11.504 9.311 6.910 1.00 0.00 N ATOM 669 CA THR A 60 12.725 10.027 6.561 1.00 0.00 C ATOM 670 C THR A 60 12.966 10.004 5.057 1.00 0.00 C ATOM 671 O THR A 60 12.120 9.546 4.289 1.00 0.00 O ATOM 672 CB THR A 60 13.944 9.431 7.289 1.00 0.00 C ATOM 673 OG1 THR A 60 15.086 10.272 7.081 1.00 0.00 O ATOM 674 CG2 THR A 60 14.246 8.034 6.768 1.00 0.00 C ATOM 0 H THR A 60 11.233 8.590 6.242 1.00 0.00 H new ATOM 0 HA THR A 60 12.595 11.061 6.880 1.00 0.00 H new ATOM 0 HB THR A 60 13.718 9.370 8.354 1.00 0.00 H new ATOM 0 HG1 THR A 60 15.861 9.893 7.546 1.00 0.00 H new ATOM 0 HG21 THR A 60 15.110 7.629 7.294 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.384 7.389 6.936 1.00 0.00 H new ATOM 0 HG23 THR A 60 14.461 8.082 5.700 1.00 0.00 H new ATOM 682 N LEU A 61 14.126 10.501 4.641 1.00 0.00 N ATOM 683 CA LEU A 61 14.424 10.668 3.224 1.00 0.00 C ATOM 684 C LEU A 61 14.722 9.328 2.562 1.00 0.00 C ATOM 685 O LEU A 61 14.435 9.131 1.381 1.00 0.00 O ATOM 686 CB LEU A 61 15.620 11.612 3.041 1.00 0.00 C ATOM 687 CG LEU A 61 15.386 13.069 3.459 1.00 0.00 C ATOM 688 CD1 LEU A 61 16.689 13.848 3.337 1.00 0.00 C ATOM 689 CD2 LEU A 61 14.300 13.680 2.587 1.00 0.00 C ATOM 0 H LEU A 61 14.876 10.795 5.266 1.00 0.00 H new ATOM 0 HA LEU A 61 13.545 11.100 2.746 1.00 0.00 H new ATOM 0 HB2 LEU A 61 16.460 11.219 3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.914 11.597 1.992 1.00 0.00 H new ATOM 0 HG LEU A 61 15.056 13.110 4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 61 16.523 14.884 3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 61 17.442 13.401 3.986 1.00 0.00 H new ATOM 0 HD13 LEU A 61 17.036 13.818 2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.134 14.715 2.885 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.611 13.648 1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.376 13.115 2.708 1.00 0.00 H new ATOM 701 N LEU A 62 15.298 8.410 3.330 1.00 0.00 N ATOM 702 CA LEU A 62 15.556 7.059 2.846 1.00 0.00 C ATOM 703 C LEU A 62 14.257 6.319 2.556 1.00 0.00 C ATOM 704 O LEU A 62 14.185 5.509 1.632 1.00 0.00 O ATOM 705 CB LEU A 62 16.379 6.275 3.876 1.00 0.00 C ATOM 706 CG LEU A 62 17.821 6.757 4.081 1.00 0.00 C ATOM 707 CD1 LEU A 62 18.453 5.993 5.237 1.00 0.00 C ATOM 708 CD2 LEU A 62 18.611 6.556 2.796 1.00 0.00 C ATOM 0 H LEU A 62 15.595 8.577 4.291 1.00 0.00 H new ATOM 0 HA LEU A 62 16.120 7.140 1.917 1.00 0.00 H new ATOM 0 HB2 LEU A 62 15.862 6.316 4.835 1.00 0.00 H new ATOM 0 HB3 LEU A 62 16.405 5.228 3.573 1.00 0.00 H new ATOM 0 HG LEU A 62 17.827 7.819 4.326 1.00 0.00 H new ATOM 0 HD11 LEU A 62 19.478 6.335 5.383 1.00 0.00 H new ATOM 0 HD12 LEU A 62 17.879 6.169 6.147 1.00 0.00 H new ATOM 0 HD13 LEU A 62 18.456 4.927 5.010 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.636 6.898 2.941 1.00 0.00 H new ATOM 0 HD22 LEU A 62 18.616 5.498 2.534 1.00 0.00 H new ATOM 0 HD23 LEU A 62 18.148 7.127 1.991 1.00 0.00 H new ATOM 720 N LYS A 63 13.230 6.603 3.350 1.00 0.00 N ATOM 721 CA LYS A 63 11.928 5.971 3.176 1.00 0.00 C ATOM 722 C LYS A 63 11.142 6.629 2.050 1.00 0.00 C ATOM 723 O LYS A 63 10.342 5.980 1.376 1.00 0.00 O ATOM 724 CB LYS A 63 11.128 6.025 4.478 1.00 0.00 C ATOM 725 CG LYS A 63 11.704 5.181 5.607 1.00 0.00 C ATOM 726 CD LYS A 63 11.798 3.715 5.208 1.00 0.00 C ATOM 727 CE LYS A 63 12.384 2.872 6.331 1.00 0.00 C ATOM 728 NZ LYS A 63 12.553 1.449 5.928 1.00 0.00 N1+ ATOM 0 H LYS A 63 13.275 7.268 4.122 1.00 0.00 H new ATOM 0 HA LYS A 63 12.097 4.928 2.908 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.068 7.061 4.810 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.109 5.695 4.278 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.694 5.552 5.873 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.078 5.280 6.494 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.807 3.342 4.950 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.417 3.618 4.316 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.349 3.282 6.627 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.733 2.927 7.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.379 1.046 6.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.701 0.911 6.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.697 1.394 4.899 1.00 0.00 H new ATOM 742 N CYS A 64 11.375 7.922 1.850 1.00 0.00 N ATOM 743 CA CYS A 64 10.825 8.630 0.700 1.00 0.00 C ATOM 744 C CYS A 64 11.353 8.053 -0.607 1.00 0.00 C ATOM 745 O CYS A 64 10.580 7.704 -1.499 1.00 0.00 O ATOM 746 CB CYS A 64 11.170 10.118 0.770 1.00 0.00 C ATOM 747 SG CYS A 64 10.504 11.096 -0.598 1.00 0.00 S ATOM 0 H CYS A 64 11.941 8.501 2.470 1.00 0.00 H new ATOM 0 HA CYS A 64 9.742 8.506 0.727 1.00 0.00 H new ATOM 0 HB2 CYS A 64 10.794 10.523 1.709 1.00 0.00 H new ATOM 0 HB3 CYS A 64 12.254 10.228 0.787 1.00 0.00 H new ATOM 752 N ASN A 65 12.674 7.954 -0.714 1.00 0.00 N ATOM 753 CA ASN A 65 13.306 7.396 -1.903 1.00 0.00 C ATOM 754 C ASN A 65 12.932 5.931 -2.090 1.00 0.00 C ATOM 755 O ASN A 65 12.606 5.500 -3.196 1.00 0.00 O ATOM 756 CB ASN A 65 14.814 7.557 -1.831 1.00 0.00 C ATOM 757 CG ASN A 65 15.501 7.139 -3.102 1.00 0.00 C ATOM 758 OD1 ASN A 65 15.120 7.567 -4.197 1.00 0.00 O ATOM 759 ND2 ASN A 65 16.505 6.310 -2.977 1.00 0.00 N ATOM 0 H ASN A 65 13.328 8.253 0.009 1.00 0.00 H new ATOM 0 HA ASN A 65 12.939 7.948 -2.768 1.00 0.00 H new ATOM 0 HB2 ASN A 65 15.055 8.598 -1.618 1.00 0.00 H new ATOM 0 HB3 ASN A 65 15.200 6.964 -1.002 1.00 0.00 H new ATOM 0 HD21 ASN A 65 17.009 5.991 -3.804 1.00 0.00 H new ATOM 0 HD22 ASN A 65 16.784 5.983 -2.052 1.00 0.00 H new ATOM 766 N GLU A 66 12.981 5.170 -1.002 1.00 0.00 N ATOM 767 CA GLU A 66 12.645 3.751 -1.044 1.00 0.00 C ATOM 768 C GLU A 66 11.239 3.534 -1.589 1.00 0.00 C ATOM 769 O GLU A 66 11.030 2.715 -2.485 1.00 0.00 O ATOM 770 CB GLU A 66 12.763 3.134 0.351 1.00 0.00 C ATOM 771 CG GLU A 66 12.445 1.646 0.409 1.00 0.00 C ATOM 772 CD GLU A 66 12.617 1.065 1.785 1.00 0.00 C ATOM 773 OE1 GLU A 66 12.997 1.790 2.672 1.00 0.00 O ATOM 774 OE2 GLU A 66 12.367 -0.106 1.948 1.00 0.00 O1- ATOM 0 H GLU A 66 13.250 5.512 -0.080 1.00 0.00 H new ATOM 0 HA GLU A 66 13.352 3.261 -1.713 1.00 0.00 H new ATOM 0 HB2 GLU A 66 13.776 3.291 0.720 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.092 3.663 1.027 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.419 1.486 0.078 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.092 1.114 -0.288 1.00 0.00 H new ATOM 781 N SER A 67 10.278 4.272 -1.044 1.00 0.00 N ATOM 782 CA SER A 67 8.885 4.137 -1.452 1.00 0.00 C ATOM 783 C SER A 67 8.715 4.429 -2.937 1.00 0.00 C ATOM 784 O SER A 67 7.965 3.744 -3.633 1.00 0.00 O ATOM 785 CB SER A 67 8.011 5.073 -0.640 1.00 0.00 C ATOM 786 OG SER A 67 7.989 4.695 0.709 1.00 0.00 O ATOM 0 H SER A 67 10.439 4.970 -0.318 1.00 0.00 H new ATOM 0 HA SER A 67 8.579 3.107 -1.270 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.384 6.093 -0.729 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.997 5.068 -1.040 1.00 0.00 H new ATOM 0 HG SER A 67 8.776 5.060 1.164 1.00 0.00 H new ATOM 792 N CYS A 68 9.415 5.451 -3.418 1.00 0.00 N ATOM 793 CA CYS A 68 9.325 5.850 -4.817 1.00 0.00 C ATOM 794 C CYS A 68 9.917 4.786 -5.733 1.00 0.00 C ATOM 795 O CYS A 68 9.469 4.609 -6.866 1.00 0.00 O ATOM 796 CB CYS A 68 10.054 7.174 -5.047 1.00 0.00 C ATOM 797 SG CYS A 68 9.262 8.599 -4.262 1.00 0.00 S ATOM 0 H CYS A 68 10.052 6.018 -2.858 1.00 0.00 H new ATOM 0 HA CYS A 68 8.268 5.971 -5.054 1.00 0.00 H new ATOM 0 HB2 CYS A 68 11.073 7.085 -4.671 1.00 0.00 H new ATOM 0 HB3 CYS A 68 10.125 7.356 -6.119 1.00 0.00 H new ATOM 802 N ASN A 69 10.925 4.079 -5.234 1.00 0.00 N ATOM 803 CA ASN A 69 11.499 2.948 -5.956 1.00 0.00 C ATOM 804 C ASN A 69 10.564 1.746 -5.928 1.00 0.00 C ATOM 805 O ASN A 69 10.522 0.958 -6.872 1.00 0.00 O ATOM 806 CB ASN A 69 12.856 2.583 -5.384 1.00 0.00 C ATOM 807 CG ASN A 69 13.947 3.505 -5.852 1.00 0.00 C ATOM 808 OD1 ASN A 69 14.520 3.312 -6.931 1.00 0.00 O ATOM 809 ND2 ASN A 69 14.247 4.504 -5.062 1.00 0.00 N ATOM 0 H ASN A 69 11.362 4.269 -4.332 1.00 0.00 H new ATOM 0 HA ASN A 69 11.631 3.246 -6.996 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.806 2.608 -4.295 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.103 1.560 -5.668 1.00 0.00 H new ATOM 0 HD21 ASN A 69 14.980 5.162 -5.328 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.748 4.625 -4.181 1.00 0.00 H new ATOM 816 N ASP A 70 9.814 1.611 -4.839 1.00 0.00 N ATOM 817 CA ASP A 70 8.842 0.532 -4.707 1.00 0.00 C ATOM 818 C ASP A 70 7.666 0.732 -5.653 1.00 0.00 C ATOM 819 O ASP A 70 7.035 -0.231 -6.089 1.00 0.00 O ATOM 820 CB ASP A 70 8.336 0.440 -3.266 1.00 0.00 C ATOM 821 CG ASP A 70 9.371 -0.136 -2.309 1.00 0.00 C ATOM 822 OD1 ASP A 70 10.333 -0.699 -2.775 1.00 0.00 O ATOM 823 OD2 ASP A 70 9.190 -0.008 -1.122 1.00 0.00 O1- ATOM 0 H ASP A 70 9.861 2.236 -4.034 1.00 0.00 H new ATOM 0 HA ASP A 70 9.343 -0.399 -4.971 1.00 0.00 H new ATOM 0 HB2 ASP A 70 8.046 1.434 -2.924 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.440 -0.180 -3.240 1.00 0.00 H new ATOM 828 N ALA A 71 7.374 1.990 -5.969 1.00 0.00 N ATOM 829 CA ALA A 71 6.316 2.316 -6.917 1.00 0.00 C ATOM 830 C ALA A 71 6.512 1.580 -8.236 1.00 0.00 C ATOM 831 O ALA A 71 7.630 1.483 -8.744 1.00 0.00 O ATOM 832 CB ALA A 71 6.261 3.818 -7.154 1.00 0.00 C ATOM 0 H ALA A 71 7.856 2.801 -5.581 1.00 0.00 H new ATOM 0 HA ALA A 71 5.368 1.992 -6.487 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.466 4.045 -7.864 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.062 4.328 -6.211 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.215 4.158 -7.556 1.00 0.00 H new ATOM 838 N PRO A 72 5.420 1.062 -8.787 1.00 0.00 N ATOM 839 CA PRO A 72 5.479 0.277 -10.015 1.00 0.00 C ATOM 840 C PRO A 72 5.693 1.169 -11.230 1.00 0.00 C ATOM 841 O PRO A 72 6.047 0.692 -12.308 1.00 0.00 O ATOM 842 CB PRO A 72 4.110 -0.409 -10.051 1.00 0.00 C ATOM 843 CG PRO A 72 3.211 0.529 -9.321 1.00 0.00 C ATOM 844 CD PRO A 72 4.066 1.075 -8.208 1.00 0.00 C ATOM 0 HA PRO A 72 6.309 -0.430 -10.036 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.772 -0.569 -11.075 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.142 -1.386 -9.569 1.00 0.00 H new ATOM 0 HG2 PRO A 72 2.852 1.325 -9.974 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.332 0.015 -8.932 1.00 0.00 H new ATOM 0 HD2 PRO A 72 3.760 2.081 -7.922 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.005 0.456 -7.313 1.00 0.00 H new ATOM 852 N LYS A 73 5.476 2.468 -11.050 1.00 0.00 N ATOM 853 CA LYS A 73 5.656 3.432 -12.129 1.00 0.00 C ATOM 854 C LYS A 73 7.049 3.325 -12.736 1.00 0.00 C ATOM 855 O LYS A 73 8.053 3.491 -12.043 1.00 0.00 O ATOM 856 CB LYS A 73 5.410 4.854 -11.623 1.00 0.00 C ATOM 857 CG LYS A 73 5.479 5.926 -12.702 1.00 0.00 C ATOM 858 CD LYS A 73 5.139 7.298 -12.140 1.00 0.00 C ATOM 859 CE LYS A 73 5.165 8.364 -13.226 1.00 0.00 C ATOM 860 NZ LYS A 73 4.804 9.707 -12.697 1.00 0.00 N1+ ATOM 0 H LYS A 73 5.175 2.877 -10.166 1.00 0.00 H new ATOM 0 HA LYS A 73 4.927 3.203 -12.907 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.429 4.894 -11.151 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.145 5.084 -10.851 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.479 5.946 -13.135 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.788 5.679 -13.508 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.152 7.270 -11.679 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.850 7.558 -11.355 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.159 8.405 -13.670 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.472 8.089 -14.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.834 10.404 -13.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.845 9.676 -12.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.480 9.982 -11.956 1.00 0.00 H new ATOM 874 N PRO A 74 7.104 3.049 -14.034 1.00 0.00 N ATOM 875 CA PRO A 74 8.375 2.909 -14.735 1.00 0.00 C ATOM 876 C PRO A 74 9.237 4.154 -14.565 1.00 0.00 C ATOM 877 O PRO A 74 8.752 5.278 -14.690 1.00 0.00 O ATOM 878 CB PRO A 74 7.945 2.715 -16.192 1.00 0.00 C ATOM 879 CG PRO A 74 6.598 2.084 -16.095 1.00 0.00 C ATOM 880 CD PRO A 74 5.951 2.763 -14.917 1.00 0.00 C ATOM 0 HA PRO A 74 8.987 2.089 -14.360 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.902 3.665 -16.724 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.645 2.078 -16.732 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.021 2.236 -17.007 1.00 0.00 H new ATOM 0 HG3 PRO A 74 6.673 1.008 -15.941 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.430 3.674 -15.211 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.218 2.119 -14.431 1.00 0.00 H new ATOM 888 N PRO A 75 10.518 3.945 -14.278 1.00 0.00 N ATOM 889 CA PRO A 75 11.456 5.050 -14.119 1.00 0.00 C ATOM 890 C PRO A 75 11.774 5.700 -15.459 1.00 0.00 C ATOM 891 O PRO A 75 12.300 6.812 -15.511 1.00 0.00 O ATOM 892 CB PRO A 75 12.689 4.369 -13.515 1.00 0.00 C ATOM 893 CG PRO A 75 12.626 2.973 -14.031 1.00 0.00 C ATOM 894 CD PRO A 75 11.157 2.642 -14.039 1.00 0.00 C ATOM 0 HA PRO A 75 11.070 5.859 -13.499 1.00 0.00 H new ATOM 0 HB2 PRO A 75 13.609 4.866 -13.823 1.00 0.00 H new ATOM 0 HB3 PRO A 75 12.663 4.392 -12.426 1.00 0.00 H new ATOM 0 HG2 PRO A 75 13.055 2.899 -15.030 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.184 2.288 -13.393 1.00 0.00 H new ATOM 0 HD2 PRO A 75 10.911 1.924 -14.821 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.838 2.205 -13.093 1.00 0.00 H new ATOM 902 N CYS A 76 11.453 5.000 -16.542 1.00 0.00 N ATOM 903 CA CYS A 76 11.703 5.508 -17.885 1.00 0.00 C ATOM 904 C CYS A 76 10.610 6.475 -18.320 1.00 0.00 C ATOM 905 O CYS A 76 10.645 7.009 -19.429 1.00 0.00 O ATOM 906 CB CYS A 76 11.788 4.358 -18.889 1.00 0.00 C ATOM 907 SG CYS A 76 13.175 3.232 -18.606 1.00 0.00 S ATOM 0 H CYS A 76 11.018 4.078 -16.515 1.00 0.00 H new ATOM 0 HA CYS A 76 12.654 6.039 -17.861 1.00 0.00 H new ATOM 0 HB2 CYS A 76 10.859 3.789 -18.853 1.00 0.00 H new ATOM 0 HB3 CYS A 76 11.869 4.772 -19.894 1.00 0.00 H new ATOM 912 N SER A 77 9.639 6.697 -17.441 1.00 0.00 N ATOM 913 CA SER A 77 8.654 7.755 -17.637 1.00 0.00 C ATOM 914 C SER A 77 9.069 9.033 -16.919 1.00 0.00 C ATOM 915 O SER A 77 8.370 10.045 -16.979 1.00 0.00 O ATOM 916 CB SER A 77 7.296 7.302 -17.139 1.00 0.00 C ATOM 917 OG SER A 77 7.298 7.143 -15.747 1.00 0.00 O ATOM 0 H SER A 77 9.513 6.158 -16.585 1.00 0.00 H new ATOM 0 HA SER A 77 8.595 7.967 -18.705 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.538 8.032 -17.424 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.026 6.360 -17.616 1.00 0.00 H new ATOM 0 HG SER A 77 7.731 6.295 -15.515 1.00 0.00 H new ATOM 923 N LEU A 78 10.209 8.980 -16.239 1.00 0.00 N ATOM 924 CA LEU A 78 10.676 10.106 -15.438 1.00 0.00 C ATOM 925 C LEU A 78 11.838 10.820 -16.117 1.00 0.00 C ATOM 926 O LEU A 78 12.522 10.246 -16.964 1.00 0.00 O ATOM 927 CB LEU A 78 11.107 9.624 -14.047 1.00 0.00 C ATOM 928 CG LEU A 78 10.050 8.841 -13.258 1.00 0.00 C ATOM 929 CD1 LEU A 78 10.658 8.338 -11.956 1.00 0.00 C ATOM 930 CD2 LEU A 78 8.849 9.735 -12.991 1.00 0.00 C ATOM 0 H LEU A 78 10.827 8.169 -16.226 1.00 0.00 H new ATOM 0 HA LEU A 78 9.850 10.811 -15.338 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.991 8.995 -14.158 1.00 0.00 H new ATOM 0 HB3 LEU A 78 11.405 10.492 -13.458 1.00 0.00 H new ATOM 0 HG LEU A 78 9.715 7.980 -13.837 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.907 7.782 -11.395 1.00 0.00 H new ATOM 0 HD12 LEU A 78 11.503 7.686 -12.177 1.00 0.00 H new ATOM 0 HD13 LEU A 78 11.000 9.186 -11.363 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.098 9.178 -12.430 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.163 10.604 -12.412 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.423 10.065 -13.939 1.00 0.00 H new ATOM 942 N GLU A 79 12.056 12.075 -15.740 1.00 0.00 N ATOM 943 CA GLU A 79 13.152 12.862 -16.292 1.00 0.00 C ATOM 944 C GLU A 79 14.425 12.683 -15.475 1.00 0.00 C ATOM 945 O GLU A 79 14.392 12.152 -14.365 1.00 0.00 O ATOM 946 CB GLU A 79 12.772 14.343 -16.344 1.00 0.00 C ATOM 947 CG GLU A 79 11.650 14.671 -17.319 1.00 0.00 C ATOM 948 CD GLU A 79 11.311 16.135 -17.350 1.00 0.00 C ATOM 949 OE1 GLU A 79 11.538 16.799 -16.368 1.00 0.00 O ATOM 950 OE2 GLU A 79 10.824 16.590 -18.358 1.00 0.00 O1- ATOM 0 H GLU A 79 11.487 12.570 -15.053 1.00 0.00 H new ATOM 0 HA GLU A 79 13.341 12.505 -17.304 1.00 0.00 H new ATOM 0 HB2 GLU A 79 12.475 14.664 -15.346 1.00 0.00 H new ATOM 0 HB3 GLU A 79 13.654 14.922 -16.616 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.939 14.349 -18.319 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.761 14.103 -17.046 1.00 0.00 H new ATOM 957 N VAL A 80 15.547 13.128 -16.031 1.00 0.00 N ATOM 958 CA VAL A 80 16.831 13.036 -15.347 1.00 0.00 C ATOM 959 C VAL A 80 16.836 13.869 -14.072 1.00 0.00 C ATOM 960 O VAL A 80 16.402 15.021 -14.069 1.00 0.00 O ATOM 961 CB VAL A 80 17.966 13.512 -16.273 1.00 0.00 C ATOM 962 CG1 VAL A 80 19.275 13.608 -15.504 1.00 0.00 C ATOM 963 CG2 VAL A 80 18.102 12.564 -17.454 1.00 0.00 C ATOM 0 H VAL A 80 15.593 13.557 -16.955 1.00 0.00 H new ATOM 0 HA VAL A 80 16.991 11.991 -15.082 1.00 0.00 H new ATOM 0 HB VAL A 80 17.723 14.505 -16.650 1.00 0.00 H new ATOM 0 HG11 VAL A 80 20.066 13.946 -16.173 1.00 0.00 H new ATOM 0 HG12 VAL A 80 19.165 14.319 -14.685 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.533 12.628 -15.102 1.00 0.00 H new ATOM 0 HG21 VAL A 80 18.906 12.907 -18.105 1.00 0.00 H new ATOM 0 HG22 VAL A 80 18.330 11.562 -17.092 1.00 0.00 H new ATOM 0 HG23 VAL A 80 17.167 12.543 -18.013 1.00 0.00 H new ATOM 973 N ASP A 81 17.331 13.280 -12.988 1.00 0.00 N ATOM 974 CA ASP A 81 17.436 13.983 -11.715 1.00 0.00 C ATOM 975 C ASP A 81 18.630 13.488 -10.909 1.00 0.00 C ATOM 976 O ASP A 81 18.545 12.477 -10.212 1.00 0.00 O ATOM 977 CB ASP A 81 16.154 13.806 -10.898 1.00 0.00 C ATOM 978 CG ASP A 81 16.162 14.607 -9.602 1.00 0.00 C ATOM 979 OD1 ASP A 81 17.167 15.208 -9.304 1.00 0.00 O ATOM 980 OD2 ASP A 81 15.163 14.609 -8.923 1.00 0.00 O1- ATOM 0 H ASP A 81 17.666 12.317 -12.966 1.00 0.00 H new ATOM 0 HA ASP A 81 17.580 15.041 -11.933 1.00 0.00 H new ATOM 0 HB2 ASP A 81 15.299 14.110 -11.502 1.00 0.00 H new ATOM 0 HB3 ASP A 81 16.020 12.750 -10.666 1.00 0.00 H new ATOM 985 N TYR A 82 19.744 14.206 -11.010 1.00 0.00 N ATOM 986 CA TYR A 82 20.972 13.816 -10.328 1.00 0.00 C ATOM 987 C TYR A 82 21.207 14.666 -9.086 1.00 0.00 C ATOM 988 O TYR A 82 22.318 14.717 -8.558 1.00 0.00 O ATOM 989 CB TYR A 82 22.168 13.921 -11.277 1.00 0.00 C ATOM 990 CG TYR A 82 22.255 15.244 -12.005 1.00 0.00 C ATOM 991 CD1 TYR A 82 22.858 16.333 -11.394 1.00 0.00 C ATOM 992 CD2 TYR A 82 21.732 15.368 -13.284 1.00 0.00 C ATOM 993 CE1 TYR A 82 22.937 17.542 -12.058 1.00 0.00 C ATOM 994 CE2 TYR A 82 21.812 16.576 -13.948 1.00 0.00 C ATOM 995 CZ TYR A 82 22.412 17.660 -13.340 1.00 0.00 C ATOM 996 OH TYR A 82 22.491 18.863 -14.002 1.00 0.00 O ATOM 0 H TYR A 82 19.821 15.062 -11.559 1.00 0.00 H new ATOM 0 HA TYR A 82 20.864 12.779 -10.012 1.00 0.00 H new ATOM 0 HB2 TYR A 82 23.085 13.769 -10.709 1.00 0.00 H new ATOM 0 HB3 TYR A 82 22.110 13.117 -12.010 1.00 0.00 H new ATOM 0 HD1 TYR A 82 23.266 16.236 -10.399 1.00 0.00 H new ATOM 0 HD2 TYR A 82 21.262 14.520 -13.760 1.00 0.00 H new ATOM 0 HE1 TYR A 82 23.405 18.392 -11.583 1.00 0.00 H new ATOM 0 HE2 TYR A 82 21.405 16.673 -14.944 1.00 0.00 H new ATOM 0 HH TYR A 82 22.079 18.777 -14.887 1.00 0.00 H new ATOM 1006 N GLY A 83 20.154 15.332 -8.624 1.00 0.00 N ATOM 1007 CA GLY A 83 20.226 16.125 -7.402 1.00 0.00 C ATOM 1008 C GLY A 83 20.863 17.484 -7.664 1.00 0.00 C ATOM 1009 O GLY A 83 21.291 17.775 -8.782 1.00 0.00 O ATOM 0 H GLY A 83 19.240 15.338 -9.077 1.00 0.00 H new ATOM 0 HA2 GLY A 83 19.224 16.262 -6.995 1.00 0.00 H new ATOM 0 HA3 GLY A 83 20.805 15.588 -6.650 1.00 0.00 H new ATOM 1013 N VAL A 84 20.924 18.313 -6.628 1.00 0.00 N ATOM 1014 CA VAL A 84 21.575 19.614 -6.725 1.00 0.00 C ATOM 1015 C VAL A 84 22.559 19.824 -5.581 1.00 0.00 C ATOM 1016 O VAL A 84 22.596 20.891 -4.969 1.00 0.00 O ATOM 1017 CB VAL A 84 20.525 20.740 -6.708 1.00 0.00 C ATOM 1018 CG1 VAL A 84 19.682 20.701 -7.974 1.00 0.00 C ATOM 1019 CG2 VAL A 84 19.648 20.612 -5.472 1.00 0.00 C ATOM 0 H VAL A 84 20.530 18.107 -5.710 1.00 0.00 H new ATOM 0 HA VAL A 84 22.123 19.640 -7.667 1.00 0.00 H new ATOM 0 HB VAL A 84 21.038 21.701 -6.673 1.00 0.00 H new ATOM 0 HG11 VAL A 84 18.945 21.504 -7.945 1.00 0.00 H new ATOM 0 HG12 VAL A 84 20.326 20.830 -8.844 1.00 0.00 H new ATOM 0 HG13 VAL A 84 19.170 19.741 -8.041 1.00 0.00 H new ATOM 0 HG21 VAL A 84 18.908 21.412 -5.467 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.140 19.648 -5.484 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.267 20.685 -4.578 1.00 0.00 H new ATOM 1029 N GLY A 85 23.355 18.799 -5.296 1.00 0.00 N ATOM 1030 CA GLY A 85 24.215 18.800 -4.118 1.00 0.00 C ATOM 1031 C GLY A 85 25.640 19.200 -4.477 1.00 0.00 C ATOM 1032 O GLY A 85 25.857 20.132 -5.251 1.00 0.00 O ATOM 0 H GLY A 85 23.423 17.956 -5.866 1.00 0.00 H new ATOM 0 HA2 GLY A 85 23.817 19.491 -3.374 1.00 0.00 H new ATOM 0 HA3 GLY A 85 24.216 17.809 -3.664 1.00 0.00 H new ATOM 1036 N ARG A 86 26.609 18.489 -3.910 1.00 0.00 N ATOM 1037 CA ARG A 86 28.010 18.875 -4.026 1.00 0.00 C ATOM 1038 C ARG A 86 28.903 17.656 -4.216 1.00 0.00 C ATOM 1039 O ARG A 86 30.104 17.785 -4.453 1.00 0.00 O ATOM 1040 CB ARG A 86 28.458 19.639 -2.789 1.00 0.00 C ATOM 1041 CG ARG A 86 27.780 20.985 -2.588 1.00 0.00 C ATOM 1042 CD ARG A 86 28.173 21.960 -3.638 1.00 0.00 C ATOM 1043 NE ARG A 86 27.564 23.263 -3.423 1.00 0.00 N ATOM 1044 CZ ARG A 86 26.360 23.633 -3.902 1.00 0.00 C ATOM 1045 NH1 ARG A 86 25.650 22.790 -4.619 1.00 0.00 N1+ ATOM 1046 NH2 ARG A 86 25.893 24.844 -3.651 1.00 0.00 N ATOM 0 H ARG A 86 26.449 17.642 -3.365 1.00 0.00 H new ATOM 0 HA ARG A 86 28.101 19.517 -4.902 1.00 0.00 H new ATOM 0 HB2 ARG A 86 28.273 19.020 -1.911 1.00 0.00 H new ATOM 0 HB3 ARG A 86 29.535 19.796 -2.847 1.00 0.00 H new ATOM 0 HG2 ARG A 86 26.698 20.853 -2.600 1.00 0.00 H new ATOM 0 HG3 ARG A 86 28.042 21.381 -1.607 1.00 0.00 H new ATOM 0 HD2 ARG A 86 29.258 22.064 -3.649 1.00 0.00 H new ATOM 0 HD3 ARG A 86 27.879 21.579 -4.616 1.00 0.00 H new ATOM 0 HE ARG A 86 28.085 23.945 -2.871 1.00 0.00 H new ATOM 0 HH11 ARG A 86 26.011 21.856 -4.813 1.00 0.00 H new ATOM 0 HH12 ARG A 86 24.739 23.070 -4.981 1.00 0.00 H new ATOM 0 HH21 ARG A 86 26.444 25.498 -3.095 1.00 0.00 H new ATOM 0 HH22 ARG A 86 24.982 25.124 -4.013 1.00 0.00 H new ATOM 1060 N ALA A 87 28.310 16.471 -4.112 1.00 0.00 N ATOM 1061 CA ALA A 87 29.041 15.227 -4.318 1.00 0.00 C ATOM 1062 C ALA A 87 29.347 15.006 -5.794 1.00 0.00 C ATOM 1063 O ALA A 87 28.754 15.646 -6.663 1.00 0.00 O ATOM 1064 CB ALA A 87 28.254 14.051 -3.759 1.00 0.00 C ATOM 0 H ALA A 87 27.323 16.347 -3.886 1.00 0.00 H new ATOM 0 HA ALA A 87 29.989 15.302 -3.785 1.00 0.00 H new ATOM 0 HB1 ALA A 87 28.813 13.129 -3.921 1.00 0.00 H new ATOM 0 HB2 ALA A 87 28.094 14.196 -2.691 1.00 0.00 H new ATOM 0 HB3 ALA A 87 27.291 13.984 -4.265 1.00 0.00 H new ATOM 1070 N ASN A 88 30.275 14.097 -6.072 1.00 0.00 N ATOM 1071 CA ASN A 88 30.669 13.797 -7.443 1.00 0.00 C ATOM 1072 C ASN A 88 30.638 12.298 -7.710 1.00 0.00 C ATOM 1073 O ASN A 88 31.682 11.662 -7.857 1.00 0.00 O ATOM 1074 CB ASN A 88 32.045 14.364 -7.739 1.00 0.00 C ATOM 1075 CG ASN A 88 32.089 15.863 -7.624 1.00 0.00 C ATOM 1076 OD1 ASN A 88 31.570 16.580 -8.487 1.00 0.00 O ATOM 1077 ND2 ASN A 88 32.700 16.350 -6.575 1.00 0.00 N ATOM 0 H ASN A 88 30.769 13.554 -5.364 1.00 0.00 H new ATOM 0 HA ASN A 88 29.948 14.270 -8.110 1.00 0.00 H new ATOM 0 HB2 ASN A 88 32.769 13.929 -7.050 1.00 0.00 H new ATOM 0 HB3 ASN A 88 32.346 14.071 -8.745 1.00 0.00 H new ATOM 0 HD21 ASN A 88 32.762 17.360 -6.444 1.00 0.00 H new ATOM 0 HD22 ASN A 88 33.114 15.720 -5.888 1.00 0.00 H new ATOM 1084 N ILE A 89 29.435 11.738 -7.771 1.00 0.00 N ATOM 1085 CA ILE A 89 29.265 10.315 -8.041 1.00 0.00 C ATOM 1086 C ILE A 89 28.655 10.084 -9.418 1.00 0.00 C ATOM 1087 O ILE A 89 27.547 10.538 -9.701 1.00 0.00 O ATOM 1088 CB ILE A 89 28.378 9.655 -6.969 1.00 0.00 C ATOM 1089 CG1 ILE A 89 28.996 9.835 -5.580 1.00 0.00 C ATOM 1090 CG2 ILE A 89 28.179 8.179 -7.279 1.00 0.00 C ATOM 1091 CD1 ILE A 89 28.080 9.432 -4.447 1.00 0.00 C ATOM 0 H ILE A 89 28.562 12.248 -7.637 1.00 0.00 H new ATOM 0 HA ILE A 89 30.255 9.860 -8.015 1.00 0.00 H new ATOM 0 HB ILE A 89 27.403 10.142 -6.978 1.00 0.00 H new ATOM 0 HG12 ILE A 89 29.912 9.247 -5.521 1.00 0.00 H new ATOM 0 HG13 ILE A 89 29.279 10.880 -5.451 1.00 0.00 H new ATOM 0 HG21 ILE A 89 27.550 7.728 -6.512 1.00 0.00 H new ATOM 0 HG22 ILE A 89 27.698 8.073 -8.251 1.00 0.00 H new ATOM 0 HG23 ILE A 89 29.146 7.677 -7.296 1.00 0.00 H new ATOM 0 HD11 ILE A 89 28.588 9.588 -3.495 1.00 0.00 H new ATOM 0 HD12 ILE A 89 27.174 10.038 -4.478 1.00 0.00 H new ATOM 0 HD13 ILE A 89 27.816 8.379 -4.549 1.00 0.00 H new ATOM 1103 N PRO A 90 29.387 9.376 -10.272 1.00 0.00 N ATOM 1104 CA PRO A 90 28.922 9.088 -11.623 1.00 0.00 C ATOM 1105 C PRO A 90 27.789 8.070 -11.612 1.00 0.00 C ATOM 1106 O PRO A 90 27.987 6.911 -11.249 1.00 0.00 O ATOM 1107 CB PRO A 90 30.174 8.531 -12.307 1.00 0.00 C ATOM 1108 CG PRO A 90 30.961 7.927 -11.194 1.00 0.00 C ATOM 1109 CD PRO A 90 30.743 8.860 -10.033 1.00 0.00 C ATOM 0 HA PRO A 90 28.512 9.960 -12.132 1.00 0.00 H new ATOM 0 HB2 PRO A 90 29.918 7.788 -13.062 1.00 0.00 H new ATOM 0 HB3 PRO A 90 30.736 9.318 -12.811 1.00 0.00 H new ATOM 0 HG2 PRO A 90 30.615 6.919 -10.964 1.00 0.00 H new ATOM 0 HG3 PRO A 90 32.018 7.851 -11.450 1.00 0.00 H new ATOM 0 HD2 PRO A 90 30.814 8.339 -9.078 1.00 0.00 H new ATOM 0 HD3 PRO A 90 31.482 9.661 -10.015 1.00 0.00 H new ATOM 1117 N ARG A 91 26.600 8.511 -12.010 1.00 0.00 N ATOM 1118 CA ARG A 91 25.434 7.637 -12.053 1.00 0.00 C ATOM 1119 C ARG A 91 24.634 7.848 -13.332 1.00 0.00 C ATOM 1120 O ARG A 91 24.672 8.924 -13.928 1.00 0.00 O ATOM 1121 CB ARG A 91 24.536 7.883 -10.850 1.00 0.00 C ATOM 1122 CG ARG A 91 25.202 7.670 -9.500 1.00 0.00 C ATOM 1123 CD ARG A 91 24.230 7.786 -8.383 1.00 0.00 C ATOM 1124 NE ARG A 91 23.345 6.634 -8.312 1.00 0.00 N ATOM 1125 CZ ARG A 91 23.638 5.483 -7.676 1.00 0.00 C ATOM 1126 NH1 ARG A 91 24.792 5.346 -7.062 1.00 0.00 N1+ ATOM 1127 NH2 ARG A 91 22.764 4.492 -7.669 1.00 0.00 N ATOM 0 H ARG A 91 26.419 9.470 -12.308 1.00 0.00 H new ATOM 0 HA ARG A 91 25.795 6.609 -12.031 1.00 0.00 H new ATOM 0 HB2 ARG A 91 24.162 8.906 -10.897 1.00 0.00 H new ATOM 0 HB3 ARG A 91 23.671 7.224 -10.920 1.00 0.00 H new ATOM 0 HG2 ARG A 91 25.668 6.685 -9.476 1.00 0.00 H new ATOM 0 HG3 ARG A 91 25.998 8.403 -9.367 1.00 0.00 H new ATOM 0 HD2 ARG A 91 24.770 7.888 -7.441 1.00 0.00 H new ATOM 0 HD3 ARG A 91 23.637 8.692 -8.510 1.00 0.00 H new ATOM 0 HE ARG A 91 22.439 6.702 -8.776 1.00 0.00 H new ATOM 0 HH11 ARG A 91 25.466 6.111 -7.067 1.00 0.00 H new ATOM 0 HH12 ARG A 91 25.013 4.474 -6.581 1.00 0.00 H new ATOM 0 HH21 ARG A 91 21.868 4.599 -8.145 1.00 0.00 H new ATOM 0 HH22 ARG A 91 22.985 3.620 -7.188 1.00 0.00 H new ATOM 1141 N TRP A 92 23.910 6.815 -13.748 1.00 0.00 N ATOM 1142 CA TRP A 92 23.220 6.831 -15.033 1.00 0.00 C ATOM 1143 C TRP A 92 21.751 7.197 -14.864 1.00 0.00 C ATOM 1144 O TRP A 92 21.072 6.685 -13.973 1.00 0.00 O ATOM 1145 CB TRP A 92 23.335 5.468 -15.717 1.00 0.00 C ATOM 1146 CG TRP A 92 24.700 5.188 -16.268 1.00 0.00 C ATOM 1147 CD1 TRP A 92 25.758 4.656 -15.593 1.00 0.00 C ATOM 1148 CD2 TRP A 92 25.165 5.425 -17.619 1.00 0.00 C ATOM 1149 NE1 TRP A 92 26.844 4.547 -16.426 1.00 0.00 N ATOM 1150 CE2 TRP A 92 26.498 5.012 -17.670 1.00 0.00 C ATOM 1151 CE3 TRP A 92 24.564 5.947 -18.771 1.00 0.00 C ATOM 1152 CZ2 TRP A 92 27.251 5.104 -18.830 1.00 0.00 C ATOM 1153 CZ3 TRP A 92 25.318 6.038 -19.935 1.00 0.00 C ATOM 1154 CH2 TRP A 92 26.627 5.626 -19.963 1.00 0.00 C ATOM 0 H TRP A 92 23.785 5.955 -13.214 1.00 0.00 H new ATOM 0 HA TRP A 92 23.696 7.588 -15.656 1.00 0.00 H new ATOM 0 HB2 TRP A 92 23.074 4.688 -15.001 1.00 0.00 H new ATOM 0 HB3 TRP A 92 22.607 5.414 -16.527 1.00 0.00 H new ATOM 0 HD1 TRP A 92 25.744 4.363 -14.554 1.00 0.00 H new ATOM 0 HE1 TRP A 92 27.759 4.180 -16.163 1.00 0.00 H new ATOM 0 HE3 TRP A 92 23.534 6.273 -18.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 28.282 4.784 -18.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 24.867 6.439 -20.831 1.00 0.00 H new ATOM 0 HH2 TRP A 92 27.186 5.708 -20.883 1.00 0.00 H new ATOM 1165 N TYR A 93 21.264 8.085 -15.724 1.00 0.00 N ATOM 1166 CA TYR A 93 19.868 8.503 -15.686 1.00 0.00 C ATOM 1167 C TYR A 93 19.248 8.479 -17.077 1.00 0.00 C ATOM 1168 O TYR A 93 19.906 8.800 -18.067 1.00 0.00 O ATOM 1169 CB TYR A 93 19.744 9.901 -15.075 1.00 0.00 C ATOM 1170 CG TYR A 93 20.240 9.989 -13.648 1.00 0.00 C ATOM 1171 CD1 TYR A 93 21.583 10.226 -13.394 1.00 0.00 C ATOM 1172 CD2 TYR A 93 19.351 9.832 -12.595 1.00 0.00 C ATOM 1173 CE1 TYR A 93 22.035 10.307 -12.091 1.00 0.00 C ATOM 1174 CE2 TYR A 93 19.804 9.913 -11.292 1.00 0.00 C ATOM 1175 CZ TYR A 93 21.140 10.149 -11.039 1.00 0.00 C ATOM 1176 OH TYR A 93 21.590 10.229 -9.741 1.00 0.00 O ATOM 0 H TYR A 93 21.817 8.530 -16.457 1.00 0.00 H new ATOM 0 HA TYR A 93 19.324 7.795 -15.060 1.00 0.00 H new ATOM 0 HB2 TYR A 93 20.304 10.607 -15.689 1.00 0.00 H new ATOM 0 HB3 TYR A 93 18.699 10.210 -15.107 1.00 0.00 H new ATOM 0 HD1 TYR A 93 22.275 10.347 -14.214 1.00 0.00 H new ATOM 0 HD2 TYR A 93 18.306 9.647 -12.793 1.00 0.00 H new ATOM 0 HE1 TYR A 93 23.080 10.492 -11.890 1.00 0.00 H new ATOM 0 HE2 TYR A 93 19.112 9.792 -10.471 1.00 0.00 H new ATOM 0 HH TYR A 93 22.252 10.948 -9.668 1.00 0.00 H new ATOM 1186 N TYR A 94 17.977 8.096 -17.146 1.00 0.00 N ATOM 1187 CA TYR A 94 17.258 8.054 -18.414 1.00 0.00 C ATOM 1188 C TYR A 94 16.627 9.403 -18.734 1.00 0.00 C ATOM 1189 O TYR A 94 15.857 9.943 -17.940 1.00 0.00 O ATOM 1190 CB TYR A 94 16.187 6.961 -18.385 1.00 0.00 C ATOM 1191 CG TYR A 94 15.437 6.807 -19.689 1.00 0.00 C ATOM 1192 CD1 TYR A 94 16.073 6.262 -20.795 1.00 0.00 C ATOM 1193 CD2 TYR A 94 14.113 7.211 -19.780 1.00 0.00 C ATOM 1194 CE1 TYR A 94 15.387 6.122 -21.987 1.00 0.00 C ATOM 1195 CE2 TYR A 94 13.428 7.070 -20.971 1.00 0.00 C ATOM 1196 CZ TYR A 94 14.060 6.528 -22.071 1.00 0.00 C ATOM 1197 OH TYR A 94 13.378 6.388 -23.258 1.00 0.00 O ATOM 0 H TYR A 94 17.424 7.810 -16.338 1.00 0.00 H new ATOM 0 HA TYR A 94 17.977 7.822 -19.200 1.00 0.00 H new ATOM 0 HB2 TYR A 94 16.658 6.011 -18.133 1.00 0.00 H new ATOM 0 HB3 TYR A 94 15.474 7.184 -17.591 1.00 0.00 H new ATOM 0 HD1 TYR A 94 17.104 5.947 -20.725 1.00 0.00 H new ATOM 0 HD2 TYR A 94 13.618 7.636 -18.919 1.00 0.00 H new ATOM 0 HE1 TYR A 94 15.880 5.699 -22.850 1.00 0.00 H new ATOM 0 HE2 TYR A 94 12.397 7.384 -21.041 1.00 0.00 H new ATOM 0 HH TYR A 94 12.462 6.718 -23.150 1.00 0.00 H new ATOM 1207 N ASP A 95 16.957 9.942 -19.903 1.00 0.00 N ATOM 1208 CA ASP A 95 16.313 11.153 -20.397 1.00 0.00 C ATOM 1209 C ASP A 95 15.103 10.820 -21.261 1.00 0.00 C ATOM 1210 O ASP A 95 15.242 10.481 -22.436 1.00 0.00 O ATOM 1211 CB ASP A 95 17.304 11.998 -21.201 1.00 0.00 C ATOM 1212 CG ASP A 95 16.694 13.293 -21.721 1.00 0.00 C ATOM 1213 OD1 ASP A 95 15.490 13.382 -21.768 1.00 0.00 O ATOM 1214 OD2 ASP A 95 17.438 14.180 -22.065 1.00 0.00 O1- ATOM 0 H ASP A 95 17.668 9.559 -20.526 1.00 0.00 H new ATOM 0 HA ASP A 95 15.974 11.724 -19.532 1.00 0.00 H new ATOM 0 HB2 ASP A 95 18.164 12.234 -20.575 1.00 0.00 H new ATOM 0 HB3 ASP A 95 17.673 11.413 -22.043 1.00 0.00 H new ATOM 1219 N THR A 96 13.917 10.919 -20.672 1.00 0.00 N ATOM 1220 CA THR A 96 12.686 10.554 -21.363 1.00 0.00 C ATOM 1221 C THR A 96 12.421 11.481 -22.543 1.00 0.00 C ATOM 1222 O THR A 96 11.951 11.045 -23.593 1.00 0.00 O ATOM 1223 CB THR A 96 11.482 10.583 -20.403 1.00 0.00 C ATOM 1224 OG1 THR A 96 11.673 9.615 -19.363 1.00 0.00 O ATOM 1225 CG2 THR A 96 10.195 10.271 -21.151 1.00 0.00 C ATOM 0 H THR A 96 13.782 11.249 -19.717 1.00 0.00 H new ATOM 0 HA THR A 96 12.815 9.538 -21.737 1.00 0.00 H new ATOM 0 HB THR A 96 11.406 11.581 -19.971 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.211 10.009 -18.644 1.00 0.00 H new ATOM 0 HG21 THR A 96 9.355 10.296 -20.456 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.040 11.013 -21.934 1.00 0.00 H new ATOM 0 HG23 THR A 96 10.266 9.280 -21.599 1.00 0.00 H new ATOM 1233 N ASN A 97 12.727 12.761 -22.363 1.00 0.00 N ATOM 1234 CA ASN A 97 12.432 13.769 -23.374 1.00 0.00 C ATOM 1235 C ASN A 97 13.227 13.519 -24.650 1.00 0.00 C ATOM 1236 O ASN A 97 12.726 13.724 -25.755 1.00 0.00 O ATOM 1237 CB ASN A 97 12.708 15.162 -22.838 1.00 0.00 C ATOM 1238 CG ASN A 97 11.708 15.589 -21.799 1.00 0.00 C ATOM 1239 OD1 ASN A 97 10.560 15.129 -21.798 1.00 0.00 O ATOM 1240 ND2 ASN A 97 12.121 16.461 -20.915 1.00 0.00 N ATOM 0 H ASN A 97 13.180 13.125 -21.525 1.00 0.00 H new ATOM 0 HA ASN A 97 11.372 13.696 -23.619 1.00 0.00 H new ATOM 0 HB2 ASN A 97 13.709 15.190 -22.407 1.00 0.00 H new ATOM 0 HB3 ASN A 97 12.696 15.874 -23.663 1.00 0.00 H new ATOM 0 HD21 ASN A 97 11.487 16.788 -20.186 1.00 0.00 H new ATOM 0 HD22 ASN A 97 13.077 16.813 -20.954 1.00 0.00 H new ATOM 1247 N ASN A 98 14.469 13.075 -24.489 1.00 0.00 N ATOM 1248 CA ASN A 98 15.324 12.764 -25.628 1.00 0.00 C ATOM 1249 C ASN A 98 15.434 11.259 -25.839 1.00 0.00 C ATOM 1250 O ASN A 98 16.033 10.801 -26.812 1.00 0.00 O ATOM 1251 CB ASN A 98 16.700 13.379 -25.447 1.00 0.00 C ATOM 1252 CG ASN A 98 16.679 14.879 -25.549 1.00 0.00 C ATOM 1253 OD1 ASN A 98 16.344 15.438 -26.600 1.00 0.00 O ATOM 1254 ND2 ASN A 98 17.031 15.542 -24.477 1.00 0.00 N ATOM 0 H ASN A 98 14.906 12.922 -23.580 1.00 0.00 H new ATOM 0 HA ASN A 98 14.866 13.195 -26.518 1.00 0.00 H new ATOM 0 HB2 ASN A 98 17.098 13.090 -24.474 1.00 0.00 H new ATOM 0 HB3 ASN A 98 17.376 12.976 -26.201 1.00 0.00 H new ATOM 0 HD21 ASN A 98 17.036 16.562 -24.487 1.00 0.00 H new ATOM 0 HD22 ASN A 98 17.300 15.039 -23.632 1.00 0.00 H new ATOM 1261 N ALA A 99 14.853 10.494 -24.921 1.00 0.00 N ATOM 1262 CA ALA A 99 14.819 9.041 -25.044 1.00 0.00 C ATOM 1263 C ALA A 99 16.225 8.466 -25.166 1.00 0.00 C ATOM 1264 O ALA A 99 16.527 7.733 -26.107 1.00 0.00 O ATOM 1265 CB ALA A 99 13.975 8.630 -26.241 1.00 0.00 C ATOM 0 H ALA A 99 14.399 10.856 -24.083 1.00 0.00 H new ATOM 0 HA ALA A 99 14.366 8.637 -24.138 1.00 0.00 H new ATOM 0 HB1 ALA A 99 13.960 7.543 -26.319 1.00 0.00 H new ATOM 0 HB2 ALA A 99 12.957 8.999 -26.113 1.00 0.00 H new ATOM 0 HB3 ALA A 99 14.402 9.053 -27.150 1.00 0.00 H new ATOM 1271 N THR A 100 17.081 8.804 -24.208 1.00 0.00 N ATOM 1272 CA THR A 100 18.468 8.355 -24.227 1.00 0.00 C ATOM 1273 C THR A 100 19.009 8.175 -22.814 1.00 0.00 C ATOM 1274 O THR A 100 18.562 8.839 -21.879 1.00 0.00 O ATOM 1275 CB THR A 100 19.360 9.344 -25.000 1.00 0.00 C ATOM 1276 OG1 THR A 100 20.687 8.811 -25.109 1.00 0.00 O ATOM 1277 CG2 THR A 100 19.414 10.685 -24.285 1.00 0.00 C ATOM 0 H THR A 100 16.838 9.388 -23.408 1.00 0.00 H new ATOM 0 HA THR A 100 18.488 7.391 -24.735 1.00 0.00 H new ATOM 0 HB THR A 100 18.937 9.490 -25.994 1.00 0.00 H new ATOM 0 HG1 THR A 100 21.253 9.441 -25.603 1.00 0.00 H new ATOM 0 HG21 THR A 100 20.049 11.371 -24.846 1.00 0.00 H new ATOM 0 HG22 THR A 100 18.408 11.099 -24.212 1.00 0.00 H new ATOM 0 HG23 THR A 100 19.824 10.548 -23.284 1.00 0.00 H new ATOM 1285 N CYS A 101 19.973 7.273 -22.666 1.00 0.00 N ATOM 1286 CA CYS A 101 20.621 7.049 -21.379 1.00 0.00 C ATOM 1287 C CYS A 101 21.967 7.758 -21.309 1.00 0.00 C ATOM 1288 O CYS A 101 22.829 7.559 -22.165 1.00 0.00 O ATOM 1289 CB CYS A 101 20.825 5.554 -21.132 1.00 0.00 C ATOM 1290 SG CYS A 101 19.288 4.608 -21.016 1.00 0.00 S ATOM 0 H CYS A 101 20.323 6.685 -23.422 1.00 0.00 H new ATOM 0 HA CYS A 101 19.967 7.458 -20.609 1.00 0.00 H new ATOM 0 HB2 CYS A 101 21.432 5.143 -21.939 1.00 0.00 H new ATOM 0 HB3 CYS A 101 21.390 5.423 -20.209 1.00 0.00 H new ATOM 1295 N GLU A 102 22.141 8.587 -20.285 1.00 0.00 N ATOM 1296 CA GLU A 102 23.374 9.346 -20.115 1.00 0.00 C ATOM 1297 C GLU A 102 23.839 9.325 -18.665 1.00 0.00 C ATOM 1298 O GLU A 102 23.044 9.105 -17.751 1.00 0.00 O ATOM 1299 CB GLU A 102 23.178 10.792 -20.577 1.00 0.00 C ATOM 1300 CG GLU A 102 22.904 10.945 -22.066 1.00 0.00 C ATOM 1301 CD GLU A 102 22.766 12.380 -22.492 1.00 0.00 C ATOM 1302 OE1 GLU A 102 22.838 13.240 -21.647 1.00 0.00 O ATOM 1303 OE2 GLU A 102 22.587 12.618 -23.663 1.00 0.00 O1- ATOM 0 H GLU A 102 21.443 8.750 -19.560 1.00 0.00 H new ATOM 0 HA GLU A 102 24.142 8.875 -20.728 1.00 0.00 H new ATOM 0 HB2 GLU A 102 22.349 11.229 -20.021 1.00 0.00 H new ATOM 0 HB3 GLU A 102 24.069 11.366 -20.323 1.00 0.00 H new ATOM 0 HG2 GLU A 102 23.714 10.481 -22.629 1.00 0.00 H new ATOM 0 HG3 GLU A 102 21.991 10.407 -22.319 1.00 0.00 H new ATOM 1310 N MET A 103 25.131 9.555 -18.460 1.00 0.00 N ATOM 1311 CA MET A 103 25.708 9.544 -17.121 1.00 0.00 C ATOM 1312 C MET A 103 25.885 10.959 -16.585 1.00 0.00 C ATOM 1313 O MET A 103 26.448 11.822 -17.258 1.00 0.00 O ATOM 1314 CB MET A 103 27.046 8.806 -17.129 1.00 0.00 C ATOM 1315 CG MET A 103 27.692 8.660 -15.758 1.00 0.00 C ATOM 1316 SD MET A 103 29.189 7.654 -15.799 1.00 0.00 S ATOM 1317 CE MET A 103 30.327 8.772 -16.612 1.00 0.00 C ATOM 0 H MET A 103 25.799 9.752 -19.205 1.00 0.00 H new ATOM 0 HA MET A 103 25.018 9.019 -16.460 1.00 0.00 H new ATOM 0 HB2 MET A 103 26.897 7.814 -17.555 1.00 0.00 H new ATOM 0 HB3 MET A 103 27.735 9.335 -17.787 1.00 0.00 H new ATOM 0 HG2 MET A 103 27.934 9.648 -15.367 1.00 0.00 H new ATOM 0 HG3 MET A 103 26.976 8.211 -15.069 1.00 0.00 H new ATOM 0 HE1 MET A 103 31.335 8.360 -16.569 1.00 0.00 H new ATOM 0 HE2 MET A 103 30.031 8.899 -17.653 1.00 0.00 H new ATOM 0 HE3 MET A 103 30.309 9.739 -16.109 1.00 0.00 H new ATOM 1327 N PHE A 104 25.400 11.191 -15.370 1.00 0.00 N ATOM 1328 CA PHE A 104 25.416 12.524 -14.781 1.00 0.00 C ATOM 1329 C PHE A 104 26.116 12.521 -13.428 1.00 0.00 C ATOM 1330 O PHE A 104 26.344 11.464 -12.839 1.00 0.00 O ATOM 1331 CB PHE A 104 23.989 13.055 -14.621 1.00 0.00 C ATOM 1332 CG PHE A 104 23.263 13.241 -15.922 1.00 0.00 C ATOM 1333 CD1 PHE A 104 22.541 12.199 -16.485 1.00 0.00 C ATOM 1334 CD2 PHE A 104 23.301 14.457 -16.587 1.00 0.00 C ATOM 1335 CE1 PHE A 104 21.872 12.369 -17.683 1.00 0.00 C ATOM 1336 CE2 PHE A 104 22.632 14.631 -17.783 1.00 0.00 C ATOM 1337 CZ PHE A 104 21.917 13.585 -18.332 1.00 0.00 C ATOM 0 H PHE A 104 24.991 10.472 -14.774 1.00 0.00 H new ATOM 0 HA PHE A 104 25.970 13.177 -15.455 1.00 0.00 H new ATOM 0 HB2 PHE A 104 23.423 12.366 -13.995 1.00 0.00 H new ATOM 0 HB3 PHE A 104 24.023 14.009 -14.095 1.00 0.00 H new ATOM 0 HD1 PHE A 104 22.501 11.244 -15.982 1.00 0.00 H new ATOM 0 HD2 PHE A 104 23.861 15.278 -16.165 1.00 0.00 H new ATOM 0 HE1 PHE A 104 21.314 11.549 -18.111 1.00 0.00 H new ATOM 0 HE2 PHE A 104 22.668 15.585 -18.288 1.00 0.00 H new ATOM 0 HZ PHE A 104 21.394 13.719 -19.268 1.00 0.00 H new ATOM 1347 N THR A 105 26.455 13.709 -12.940 1.00 0.00 N ATOM 1348 CA THR A 105 27.117 13.846 -11.648 1.00 0.00 C ATOM 1349 C THR A 105 26.103 13.920 -10.514 1.00 0.00 C ATOM 1350 O THR A 105 25.331 14.875 -10.420 1.00 0.00 O ATOM 1351 CB THR A 105 28.020 15.094 -11.617 1.00 0.00 C ATOM 1352 OG1 THR A 105 29.022 14.987 -12.637 1.00 0.00 O ATOM 1353 CG2 THR A 105 28.694 15.231 -10.261 1.00 0.00 C ATOM 0 H THR A 105 26.282 14.592 -13.420 1.00 0.00 H new ATOM 0 HA THR A 105 27.736 12.960 -11.507 1.00 0.00 H new ATOM 0 HB THR A 105 27.403 15.975 -11.795 1.00 0.00 H new ATOM 0 HG1 THR A 105 29.595 15.782 -12.618 1.00 0.00 H new ATOM 0 HG21 THR A 105 29.328 16.118 -10.258 1.00 0.00 H new ATOM 0 HG22 THR A 105 27.934 15.325 -9.485 1.00 0.00 H new ATOM 0 HG23 THR A 105 29.304 14.349 -10.067 1.00 0.00 H new ATOM 1361 N TYR A 106 26.110 12.908 -9.654 1.00 0.00 N ATOM 1362 CA TYR A 106 25.143 12.820 -8.566 1.00 0.00 C ATOM 1363 C TYR A 106 25.590 13.642 -7.364 1.00 0.00 C ATOM 1364 O TYR A 106 26.668 13.420 -6.814 1.00 0.00 O ATOM 1365 CB TYR A 106 24.926 11.361 -8.159 1.00 0.00 C ATOM 1366 CG TYR A 106 23.920 11.181 -7.044 1.00 0.00 C ATOM 1367 CD1 TYR A 106 22.643 11.709 -7.171 1.00 0.00 C ATOM 1368 CD2 TYR A 106 24.273 10.489 -5.895 1.00 0.00 C ATOM 1369 CE1 TYR A 106 21.724 11.544 -6.152 1.00 0.00 C ATOM 1370 CE2 TYR A 106 23.354 10.325 -4.877 1.00 0.00 C ATOM 1371 CZ TYR A 106 22.084 10.850 -5.003 1.00 0.00 C ATOM 1372 OH TYR A 106 21.169 10.686 -3.989 1.00 0.00 O ATOM 0 H TYR A 106 26.776 12.136 -9.689 1.00 0.00 H new ATOM 0 HA TYR A 106 24.199 13.230 -8.924 1.00 0.00 H new ATOM 0 HB2 TYR A 106 24.594 10.796 -9.030 1.00 0.00 H new ATOM 0 HB3 TYR A 106 25.880 10.935 -7.848 1.00 0.00 H new ATOM 0 HD1 TYR A 106 22.368 12.248 -8.065 1.00 0.00 H new ATOM 0 HD2 TYR A 106 25.267 10.078 -5.796 1.00 0.00 H new ATOM 0 HE1 TYR A 106 20.729 11.953 -6.248 1.00 0.00 H new ATOM 0 HE2 TYR A 106 23.629 9.786 -3.983 1.00 0.00 H new ATOM 0 HH TYR A 106 20.310 11.075 -4.257 1.00 0.00 H new ATOM 1382 N GLY A 107 24.754 14.594 -6.961 1.00 0.00 N ATOM 1383 CA GLY A 107 25.143 15.582 -5.962 1.00 0.00 C ATOM 1384 C GLY A 107 24.864 15.079 -4.552 1.00 0.00 C ATOM 1385 O GLY A 107 25.385 15.618 -3.575 1.00 0.00 O ATOM 0 H GLY A 107 23.802 14.702 -7.312 1.00 0.00 H new ATOM 0 HA2 GLY A 107 26.204 15.810 -6.066 1.00 0.00 H new ATOM 0 HA3 GLY A 107 24.599 16.511 -6.134 1.00 0.00 H new ATOM 1389 N GLY A 108 24.039 14.042 -4.451 1.00 0.00 N ATOM 1390 CA GLY A 108 23.772 13.397 -3.171 1.00 0.00 C ATOM 1391 C GLY A 108 22.482 13.917 -2.551 1.00 0.00 C ATOM 1392 O GLY A 108 22.289 13.837 -1.337 1.00 0.00 O ATOM 0 H GLY A 108 23.543 13.630 -5.242 1.00 0.00 H new ATOM 0 HA2 GLY A 108 23.702 12.318 -3.312 1.00 0.00 H new ATOM 0 HA3 GLY A 108 24.604 13.576 -2.490 1.00 0.00 H new ATOM 1396 N ILE A 109 21.601 14.451 -3.390 1.00 0.00 N ATOM 1397 CA ILE A 109 20.336 15.005 -2.922 1.00 0.00 C ATOM 1398 C ILE A 109 19.173 14.078 -3.255 1.00 0.00 C ATOM 1399 O ILE A 109 18.437 14.310 -4.214 1.00 0.00 O ATOM 1400 CB ILE A 109 20.081 16.392 -3.541 1.00 0.00 C ATOM 1401 CG1 ILE A 109 21.265 17.323 -3.268 1.00 0.00 C ATOM 1402 CG2 ILE A 109 18.793 16.988 -2.995 1.00 0.00 C ATOM 1403 CD1 ILE A 109 21.545 17.540 -1.798 1.00 0.00 C ATOM 0 H ILE A 109 21.740 14.512 -4.399 1.00 0.00 H new ATOM 0 HA ILE A 109 20.406 15.106 -1.839 1.00 0.00 H new ATOM 0 HB ILE A 109 19.975 16.278 -4.620 1.00 0.00 H new ATOM 0 HG12 ILE A 109 22.156 16.910 -3.741 1.00 0.00 H new ATOM 0 HG13 ILE A 109 21.073 18.288 -3.738 1.00 0.00 H new ATOM 0 HG21 ILE A 109 18.627 17.968 -3.442 1.00 0.00 H new ATOM 0 HG22 ILE A 109 17.957 16.332 -3.238 1.00 0.00 H new ATOM 0 HG23 ILE A 109 18.870 17.092 -1.913 1.00 0.00 H new ATOM 0 HD11 ILE A 109 22.397 18.210 -1.685 1.00 0.00 H new ATOM 0 HD12 ILE A 109 20.670 17.982 -1.322 1.00 0.00 H new ATOM 0 HD13 ILE A 109 21.770 16.584 -1.326 1.00 0.00 H new ATOM 1415 N THR A 110 19.013 13.029 -2.456 1.00 0.00 N ATOM 1416 CA THR A 110 17.911 12.091 -2.636 1.00 0.00 C ATOM 1417 C THR A 110 17.748 11.706 -4.101 1.00 0.00 C ATOM 1418 O THR A 110 18.725 11.399 -4.784 1.00 0.00 O ATOM 1419 CB THR A 110 16.590 12.679 -2.106 1.00 0.00 C ATOM 1420 OG1 THR A 110 16.162 13.746 -2.961 1.00 0.00 O ATOM 1421 CG2 THR A 110 16.772 13.209 -0.692 1.00 0.00 C ATOM 0 H THR A 110 19.633 12.807 -1.677 1.00 0.00 H new ATOM 0 HA THR A 110 18.153 11.196 -2.063 1.00 0.00 H new ATOM 0 HB THR A 110 15.838 11.890 -2.094 1.00 0.00 H new ATOM 0 HG1 THR A 110 16.806 13.858 -3.691 1.00 0.00 H new ATOM 0 HG21 THR A 110 15.829 13.621 -0.334 1.00 0.00 H new ATOM 0 HG22 THR A 110 17.086 12.397 -0.037 1.00 0.00 H new ATOM 0 HG23 THR A 110 17.532 13.990 -0.691 1.00 0.00 H new ATOM 1429 N GLY A 111 16.508 11.725 -4.578 1.00 0.00 N ATOM 1430 CA GLY A 111 16.219 11.408 -5.971 1.00 0.00 C ATOM 1431 C GLY A 111 14.940 10.589 -6.096 1.00 0.00 C ATOM 1432 O GLY A 111 14.064 10.654 -5.233 1.00 0.00 O ATOM 0 H GLY A 111 15.687 11.957 -4.020 1.00 0.00 H new ATOM 0 HA2 GLY A 111 16.121 12.330 -6.544 1.00 0.00 H new ATOM 0 HA3 GLY A 111 17.053 10.853 -6.401 1.00 0.00 H new ATOM 1436 N ASN A 112 14.839 9.819 -7.174 1.00 0.00 N ATOM 1437 CA ASN A 112 13.658 9.001 -7.423 1.00 0.00 C ATOM 1438 C ASN A 112 14.029 7.694 -8.111 1.00 0.00 C ATOM 1439 O ASN A 112 15.206 7.352 -8.224 1.00 0.00 O ATOM 1440 CB ASN A 112 12.642 9.769 -8.248 1.00 0.00 C ATOM 1441 CG ASN A 112 13.185 10.197 -9.583 1.00 0.00 C ATOM 1442 OD1 ASN A 112 13.433 9.363 -10.462 1.00 0.00 O ATOM 1443 ND2 ASN A 112 13.376 11.480 -9.752 1.00 0.00 N ATOM 0 H ASN A 112 15.562 9.744 -7.890 1.00 0.00 H new ATOM 0 HA ASN A 112 13.209 8.757 -6.460 1.00 0.00 H new ATOM 0 HB2 ASN A 112 11.760 9.148 -8.401 1.00 0.00 H new ATOM 0 HB3 ASN A 112 12.319 10.649 -7.692 1.00 0.00 H new ATOM 0 HD21 ASN A 112 13.744 11.829 -10.637 1.00 0.00 H new ATOM 0 HD22 ASN A 112 13.157 12.132 -8.999 1.00 0.00 H new ATOM 1450 N LYS A 113 13.017 6.965 -8.570 1.00 0.00 N ATOM 1451 CA LYS A 113 13.219 5.622 -9.101 1.00 0.00 C ATOM 1452 C LYS A 113 14.171 5.637 -10.290 1.00 0.00 C ATOM 1453 O LYS A 113 14.907 4.677 -10.520 1.00 0.00 O ATOM 1454 CB LYS A 113 11.881 5.000 -9.505 1.00 0.00 C ATOM 1455 CG LYS A 113 11.952 3.513 -9.829 1.00 0.00 C ATOM 1456 CD LYS A 113 10.575 2.952 -10.151 1.00 0.00 C ATOM 1457 CE LYS A 113 10.637 1.457 -10.429 1.00 0.00 C ATOM 1458 NZ LYS A 113 9.312 0.911 -10.832 1.00 0.00 N1+ ATOM 0 H LYS A 113 12.048 7.282 -8.585 1.00 0.00 H new ATOM 0 HA LYS A 113 13.668 5.016 -8.314 1.00 0.00 H new ATOM 0 HB2 LYS A 113 11.165 5.150 -8.697 1.00 0.00 H new ATOM 0 HB3 LYS A 113 11.495 5.531 -10.375 1.00 0.00 H new ATOM 0 HG2 LYS A 113 12.619 3.355 -10.676 1.00 0.00 H new ATOM 0 HG3 LYS A 113 12.378 2.974 -8.983 1.00 0.00 H new ATOM 0 HD2 LYS A 113 9.899 3.141 -9.317 1.00 0.00 H new ATOM 0 HD3 LYS A 113 10.163 3.468 -11.018 1.00 0.00 H new ATOM 0 HE2 LYS A 113 11.364 1.264 -11.218 1.00 0.00 H new ATOM 0 HE3 LYS A 113 10.988 0.936 -9.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 9.428 -0.064 -11.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 8.671 0.917 -10.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 8.911 1.498 -11.591 1.00 0.00 H new ATOM 1472 N ASN A 114 14.151 6.731 -11.043 1.00 0.00 N ATOM 1473 CA ASN A 114 15.051 6.895 -12.179 1.00 0.00 C ATOM 1474 C ASN A 114 16.488 7.099 -11.718 1.00 0.00 C ATOM 1475 O ASN A 114 16.969 8.229 -11.632 1.00 0.00 O ATOM 1476 CB ASN A 114 14.601 8.052 -13.053 1.00 0.00 C ATOM 1477 CG ASN A 114 15.395 8.156 -14.326 1.00 0.00 C ATOM 1478 OD1 ASN A 114 16.418 7.482 -14.491 1.00 0.00 O ATOM 1479 ND2 ASN A 114 14.943 8.988 -15.229 1.00 0.00 N ATOM 0 H ASN A 114 13.521 7.518 -10.887 1.00 0.00 H new ATOM 0 HA ASN A 114 15.016 5.980 -12.770 1.00 0.00 H new ATOM 0 HB2 ASN A 114 13.545 7.930 -13.296 1.00 0.00 H new ATOM 0 HB3 ASN A 114 14.694 8.983 -12.494 1.00 0.00 H new ATOM 0 HD21 ASN A 114 15.440 9.101 -16.113 1.00 0.00 H new ATOM 0 HD22 ASN A 114 14.094 9.524 -15.049 1.00 0.00 H new ATOM 1486 N ASN A 115 17.171 5.998 -11.423 1.00 0.00 N ATOM 1487 CA ASN A 115 18.516 6.057 -10.863 1.00 0.00 C ATOM 1488 C ASN A 115 19.272 4.757 -11.106 1.00 0.00 C ATOM 1489 O ASN A 115 19.086 3.776 -10.386 1.00 0.00 O ATOM 1490 CB ASN A 115 18.463 6.376 -9.380 1.00 0.00 C ATOM 1491 CG ASN A 115 19.830 6.550 -8.778 1.00 0.00 C ATOM 1492 OD1 ASN A 115 20.823 6.031 -9.300 1.00 0.00 O ATOM 1493 ND2 ASN A 115 19.900 7.271 -7.688 1.00 0.00 N ATOM 0 H ASN A 115 16.814 5.053 -11.563 1.00 0.00 H new ATOM 0 HA ASN A 115 19.055 6.857 -11.370 1.00 0.00 H new ATOM 0 HB2 ASN A 115 17.884 7.287 -9.228 1.00 0.00 H new ATOM 0 HB3 ASN A 115 17.939 5.575 -8.858 1.00 0.00 H new ATOM 0 HD21 ASN A 115 20.801 7.424 -7.234 1.00 0.00 H new ATOM 0 HD22 ASN A 115 19.054 7.680 -7.292 1.00 0.00 H new ATOM 1500 N PHE A 116 20.125 4.756 -12.125 1.00 0.00 N ATOM 1501 CA PHE A 116 20.804 3.540 -12.554 1.00 0.00 C ATOM 1502 C PHE A 116 22.303 3.626 -12.299 1.00 0.00 C ATOM 1503 O PHE A 116 22.866 4.718 -12.213 1.00 0.00 O ATOM 1504 CB PHE A 116 20.549 3.281 -14.040 1.00 0.00 C ATOM 1505 CG PHE A 116 19.092 3.239 -14.406 1.00 0.00 C ATOM 1506 CD1 PHE A 116 18.465 4.353 -14.944 1.00 0.00 C ATOM 1507 CD2 PHE A 116 18.346 2.086 -14.213 1.00 0.00 C ATOM 1508 CE1 PHE A 116 17.125 4.315 -15.281 1.00 0.00 C ATOM 1509 CE2 PHE A 116 17.008 2.045 -14.550 1.00 0.00 C ATOM 1510 CZ PHE A 116 16.397 3.162 -15.085 1.00 0.00 C ATOM 0 H PHE A 116 20.362 5.585 -12.669 1.00 0.00 H new ATOM 0 HA PHE A 116 20.401 2.713 -11.970 1.00 0.00 H new ATOM 0 HB2 PHE A 116 21.039 4.060 -14.624 1.00 0.00 H new ATOM 0 HB3 PHE A 116 21.012 2.334 -14.319 1.00 0.00 H new ATOM 0 HD1 PHE A 116 19.030 5.260 -15.101 1.00 0.00 H new ATOM 0 HD2 PHE A 116 18.818 1.209 -13.794 1.00 0.00 H new ATOM 0 HE1 PHE A 116 16.648 5.190 -15.698 1.00 0.00 H new ATOM 0 HE2 PHE A 116 16.439 1.140 -14.395 1.00 0.00 H new ATOM 0 HZ PHE A 116 15.350 3.132 -15.349 1.00 0.00 H new ATOM 1520 N GLU A 117 22.945 2.470 -12.178 1.00 0.00 N ATOM 1521 CA GLU A 117 24.383 2.412 -11.941 1.00 0.00 C ATOM 1522 C GLU A 117 25.119 1.849 -13.150 1.00 0.00 C ATOM 1523 O GLU A 117 26.322 1.597 -13.094 1.00 0.00 O ATOM 1524 CB GLU A 117 24.686 1.563 -10.705 1.00 0.00 C ATOM 1525 CG GLU A 117 24.136 2.127 -9.403 1.00 0.00 C ATOM 1526 CD GLU A 117 24.520 1.309 -8.202 1.00 0.00 C ATOM 1527 OE1 GLU A 117 25.171 0.307 -8.373 1.00 0.00 O ATOM 1528 OE2 GLU A 117 24.162 1.687 -7.111 1.00 0.00 O1- ATOM 0 H GLU A 117 22.492 1.558 -12.240 1.00 0.00 H new ATOM 0 HA GLU A 117 24.734 3.430 -11.770 1.00 0.00 H new ATOM 0 HB2 GLU A 117 24.276 0.565 -10.856 1.00 0.00 H new ATOM 0 HB3 GLU A 117 25.766 1.453 -10.611 1.00 0.00 H new ATOM 0 HG2 GLU A 117 24.499 3.147 -9.273 1.00 0.00 H new ATOM 0 HG3 GLU A 117 23.049 2.181 -9.467 1.00 0.00 H new ATOM 1535 N SER A 118 24.388 1.652 -14.242 1.00 0.00 N ATOM 1536 CA SER A 118 24.976 1.145 -15.476 1.00 0.00 C ATOM 1537 C SER A 118 24.115 1.498 -16.682 1.00 0.00 C ATOM 1538 O SER A 118 22.889 1.553 -16.587 1.00 0.00 O ATOM 1539 CB SER A 118 25.151 -0.359 -15.391 1.00 0.00 C ATOM 1540 OG SER A 118 25.695 -0.869 -16.577 1.00 0.00 O ATOM 0 H SER A 118 23.386 1.836 -14.297 1.00 0.00 H new ATOM 0 HA SER A 118 25.951 1.616 -15.603 1.00 0.00 H new ATOM 0 HB2 SER A 118 25.802 -0.606 -14.552 1.00 0.00 H new ATOM 0 HB3 SER A 118 24.188 -0.830 -15.196 1.00 0.00 H new ATOM 0 HG SER A 118 25.800 -1.840 -16.498 1.00 0.00 H new ATOM 1546 N GLU A 119 24.765 1.737 -17.816 1.00 0.00 N ATOM 1547 CA GLU A 119 24.057 1.995 -19.064 1.00 0.00 C ATOM 1548 C GLU A 119 23.103 0.857 -19.403 1.00 0.00 C ATOM 1549 O GLU A 119 21.973 1.088 -19.833 1.00 0.00 O ATOM 1550 CB GLU A 119 25.052 2.198 -20.210 1.00 0.00 C ATOM 1551 CG GLU A 119 24.409 2.526 -21.550 1.00 0.00 C ATOM 1552 CD GLU A 119 25.417 2.751 -22.642 1.00 0.00 C ATOM 1553 OE1 GLU A 119 26.586 2.808 -22.344 1.00 0.00 O ATOM 1554 OE2 GLU A 119 25.018 2.866 -23.777 1.00 0.00 O1- ATOM 0 H GLU A 119 25.782 1.757 -17.896 1.00 0.00 H new ATOM 0 HA GLU A 119 23.472 2.905 -18.932 1.00 0.00 H new ATOM 0 HB2 GLU A 119 25.736 3.003 -19.942 1.00 0.00 H new ATOM 0 HB3 GLU A 119 25.651 1.294 -20.320 1.00 0.00 H new ATOM 0 HG2 GLU A 119 23.745 1.711 -21.838 1.00 0.00 H new ATOM 0 HG3 GLU A 119 23.792 3.418 -21.443 1.00 0.00 H new ATOM 1561 N GLU A 120 23.565 -0.373 -19.206 1.00 0.00 N ATOM 1562 CA GLU A 120 22.738 -1.550 -19.448 1.00 0.00 C ATOM 1563 C GLU A 120 21.458 -1.502 -18.624 1.00 0.00 C ATOM 1564 O GLU A 120 20.367 -1.740 -19.141 1.00 0.00 O ATOM 1565 CB GLU A 120 23.519 -2.826 -19.123 1.00 0.00 C ATOM 1566 CG GLU A 120 22.748 -4.114 -19.373 1.00 0.00 C ATOM 1567 CD GLU A 120 23.559 -5.347 -19.083 1.00 0.00 C ATOM 1568 OE1 GLU A 120 24.700 -5.210 -18.711 1.00 0.00 O ATOM 1569 OE2 GLU A 120 23.037 -6.426 -19.232 1.00 0.00 O1- ATOM 0 H GLU A 120 24.509 -0.581 -18.879 1.00 0.00 H new ATOM 0 HA GLU A 120 22.466 -1.556 -20.504 1.00 0.00 H new ATOM 0 HB2 GLU A 120 24.431 -2.841 -19.719 1.00 0.00 H new ATOM 0 HB3 GLU A 120 23.822 -2.795 -18.077 1.00 0.00 H new ATOM 0 HG2 GLU A 120 21.851 -4.121 -18.753 1.00 0.00 H new ATOM 0 HG3 GLU A 120 22.418 -4.138 -20.412 1.00 0.00 H new ATOM 1576 N GLU A 121 21.598 -1.195 -17.339 1.00 0.00 N ATOM 1577 CA GLU A 121 20.452 -1.112 -16.442 1.00 0.00 C ATOM 1578 C GLU A 121 19.423 -0.113 -16.954 1.00 0.00 C ATOM 1579 O GLU A 121 18.223 -0.387 -16.952 1.00 0.00 O ATOM 1580 CB GLU A 121 20.904 -0.717 -15.034 1.00 0.00 C ATOM 1581 CG GLU A 121 21.680 -1.799 -14.296 1.00 0.00 C ATOM 1582 CD GLU A 121 22.206 -1.338 -12.966 1.00 0.00 C ATOM 1583 OE1 GLU A 121 22.100 -0.170 -12.679 1.00 0.00 O ATOM 1584 OE2 GLU A 121 22.715 -2.155 -12.235 1.00 0.00 O1- ATOM 0 H GLU A 121 22.495 -0.999 -16.895 1.00 0.00 H new ATOM 0 HA GLU A 121 19.986 -2.097 -16.406 1.00 0.00 H new ATOM 0 HB2 GLU A 121 21.525 0.176 -15.102 1.00 0.00 H new ATOM 0 HB3 GLU A 121 20.026 -0.451 -14.445 1.00 0.00 H new ATOM 0 HG2 GLU A 121 21.034 -2.664 -14.145 1.00 0.00 H new ATOM 0 HG3 GLU A 121 22.514 -2.128 -14.916 1.00 0.00 H new ATOM 1591 N CYS A 122 19.899 1.048 -17.391 1.00 0.00 N ATOM 1592 CA CYS A 122 19.022 2.084 -17.923 1.00 0.00 C ATOM 1593 C CYS A 122 18.242 1.579 -19.130 1.00 0.00 C ATOM 1594 O CYS A 122 17.014 1.659 -19.165 1.00 0.00 O ATOM 1595 CB CYS A 122 19.830 3.318 -18.326 1.00 0.00 C ATOM 1596 SG CYS A 122 18.836 4.655 -19.029 1.00 0.00 S ATOM 0 H CYS A 122 20.889 1.295 -17.387 1.00 0.00 H new ATOM 0 HA CYS A 122 18.318 2.352 -17.135 1.00 0.00 H new ATOM 0 HB2 CYS A 122 20.359 3.695 -17.450 1.00 0.00 H new ATOM 0 HB3 CYS A 122 20.587 3.022 -19.052 1.00 0.00 H new ATOM 1601 N LYS A 123 18.962 1.059 -20.118 1.00 0.00 N ATOM 1602 CA LYS A 123 18.357 0.679 -21.389 1.00 0.00 C ATOM 1603 C LYS A 123 17.454 -0.538 -21.227 1.00 0.00 C ATOM 1604 O LYS A 123 16.347 -0.577 -21.764 1.00 0.00 O ATOM 1605 CB LYS A 123 19.438 0.396 -22.434 1.00 0.00 C ATOM 1606 CG LYS A 123 20.179 1.634 -22.922 1.00 0.00 C ATOM 1607 CD LYS A 123 21.255 1.270 -23.935 1.00 0.00 C ATOM 1608 CE LYS A 123 21.926 2.513 -24.501 1.00 0.00 C ATOM 1609 NZ LYS A 123 23.037 2.171 -25.430 1.00 0.00 N1+ ATOM 0 H LYS A 123 19.967 0.891 -20.063 1.00 0.00 H new ATOM 0 HA LYS A 123 17.746 1.514 -21.730 1.00 0.00 H new ATOM 0 HB2 LYS A 123 20.161 -0.302 -22.012 1.00 0.00 H new ATOM 0 HB3 LYS A 123 18.979 -0.099 -23.290 1.00 0.00 H new ATOM 0 HG2 LYS A 123 19.472 2.330 -23.374 1.00 0.00 H new ATOM 0 HG3 LYS A 123 20.633 2.147 -22.074 1.00 0.00 H new ATOM 0 HD2 LYS A 123 22.003 0.634 -23.461 1.00 0.00 H new ATOM 0 HD3 LYS A 123 20.813 0.692 -24.746 1.00 0.00 H new ATOM 0 HE2 LYS A 123 21.186 3.117 -25.027 1.00 0.00 H new ATOM 0 HE3 LYS A 123 22.311 3.122 -23.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 23.065 2.862 -26.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 23.940 2.193 -24.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 22.884 1.219 -25.819 1.00 0.00 H new ATOM 1623 N GLU A 124 17.934 -1.529 -20.484 1.00 0.00 N ATOM 1624 CA GLU A 124 17.221 -2.793 -20.340 1.00 0.00 C ATOM 1625 C GLU A 124 15.948 -2.617 -19.523 1.00 0.00 C ATOM 1626 O GLU A 124 14.942 -3.282 -19.772 1.00 0.00 O ATOM 1627 CB GLU A 124 18.121 -3.841 -19.682 1.00 0.00 C ATOM 1628 CG GLU A 124 19.286 -4.302 -20.546 1.00 0.00 C ATOM 1629 CD GLU A 124 18.843 -4.931 -21.838 1.00 0.00 C ATOM 1630 OE1 GLU A 124 17.966 -5.760 -21.803 1.00 0.00 O ATOM 1631 OE2 GLU A 124 19.383 -4.582 -22.861 1.00 0.00 O1- ATOM 0 H GLU A 124 18.815 -1.481 -19.972 1.00 0.00 H new ATOM 0 HA GLU A 124 16.944 -3.135 -21.337 1.00 0.00 H new ATOM 0 HB2 GLU A 124 18.514 -3.432 -18.752 1.00 0.00 H new ATOM 0 HB3 GLU A 124 17.515 -4.708 -19.418 1.00 0.00 H new ATOM 0 HG2 GLU A 124 19.929 -3.450 -20.764 1.00 0.00 H new ATOM 0 HG3 GLU A 124 19.886 -5.019 -19.986 1.00 0.00 H new ATOM 1638 N THR A 125 15.997 -1.718 -18.546 1.00 0.00 N ATOM 1639 CA THR A 125 14.818 -1.374 -17.761 1.00 0.00 C ATOM 1640 C THR A 125 13.725 -0.780 -18.639 1.00 0.00 C ATOM 1641 O THR A 125 12.548 -1.110 -18.490 1.00 0.00 O ATOM 1642 CB THR A 125 15.171 -0.385 -16.634 1.00 0.00 C ATOM 1643 OG1 THR A 125 16.085 -1.004 -15.720 1.00 0.00 O ATOM 1644 CG2 THR A 125 13.917 0.038 -15.884 1.00 0.00 C ATOM 0 H THR A 125 16.842 -1.214 -18.279 1.00 0.00 H new ATOM 0 HA THR A 125 14.447 -2.297 -17.316 1.00 0.00 H new ATOM 0 HB THR A 125 15.632 0.498 -17.077 1.00 0.00 H new ATOM 0 HG1 THR A 125 16.993 -0.677 -15.893 1.00 0.00 H new ATOM 0 HG21 THR A 125 14.185 0.737 -15.091 1.00 0.00 H new ATOM 0 HG22 THR A 125 13.225 0.521 -16.575 1.00 0.00 H new ATOM 0 HG23 THR A 125 13.440 -0.840 -15.448 1.00 0.00 H new ATOM 1652 N CYS A 126 14.120 0.097 -19.556 1.00 0.00 N ATOM 1653 CA CYS A 126 13.180 0.707 -20.488 1.00 0.00 C ATOM 1654 C CYS A 126 12.610 -0.326 -21.451 1.00 0.00 C ATOM 1655 O CYS A 126 11.453 -0.235 -21.861 1.00 0.00 O ATOM 1656 CB CYS A 126 13.860 1.820 -21.286 1.00 0.00 C ATOM 1657 SG CYS A 126 14.321 3.262 -20.297 1.00 0.00 S ATOM 0 H CYS A 126 15.086 0.401 -19.673 1.00 0.00 H new ATOM 0 HA CYS A 126 12.364 1.128 -19.901 1.00 0.00 H new ATOM 0 HB2 CYS A 126 14.755 1.417 -21.761 1.00 0.00 H new ATOM 0 HB3 CYS A 126 13.191 2.140 -22.085 1.00 0.00 H new ATOM 1662 N LYS A 127 13.429 -1.309 -21.810 1.00 0.00 N ATOM 1663 CA LYS A 127 12.970 -2.433 -22.616 1.00 0.00 C ATOM 1664 C LYS A 127 11.909 -3.242 -21.881 1.00 0.00 C ATOM 1665 O LYS A 127 10.936 -3.698 -22.480 1.00 0.00 O ATOM 1666 CB LYS A 127 14.146 -3.334 -22.999 1.00 0.00 C ATOM 1667 CG LYS A 127 15.111 -2.716 -24.002 1.00 0.00 C ATOM 1668 CD LYS A 127 16.268 -3.656 -24.307 1.00 0.00 C ATOM 1669 CE LYS A 127 17.310 -2.984 -25.189 1.00 0.00 C ATOM 1670 NZ LYS A 127 18.472 -3.875 -25.455 1.00 0.00 N1+ ATOM 0 H LYS A 127 14.416 -1.349 -21.555 1.00 0.00 H new ATOM 0 HA LYS A 127 12.522 -2.030 -23.524 1.00 0.00 H new ATOM 0 HB2 LYS A 127 14.698 -3.595 -22.096 1.00 0.00 H new ATOM 0 HB3 LYS A 127 13.756 -4.263 -23.414 1.00 0.00 H new ATOM 0 HG2 LYS A 127 14.579 -2.480 -24.924 1.00 0.00 H new ATOM 0 HG3 LYS A 127 15.497 -1.776 -23.607 1.00 0.00 H new ATOM 0 HD2 LYS A 127 16.732 -3.979 -23.375 1.00 0.00 H new ATOM 0 HD3 LYS A 127 15.891 -4.551 -24.803 1.00 0.00 H new ATOM 0 HE2 LYS A 127 16.852 -2.693 -26.134 1.00 0.00 H new ATOM 0 HE3 LYS A 127 17.657 -2.069 -24.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 19.189 -3.357 -26.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 18.884 -4.187 -24.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 18.156 -4.705 -25.997 1.00 0.00 H new ATOM 1684 N GLY A 128 12.103 -3.416 -20.578 1.00 0.00 N ATOM 1685 CA GLY A 128 11.146 -4.142 -19.751 1.00 0.00 C ATOM 1686 C GLY A 128 11.799 -5.343 -19.079 1.00 0.00 C ATOM 1687 O GLY A 128 11.162 -6.378 -18.881 1.00 0.00 O ATOM 0 H GLY A 128 12.915 -3.064 -20.071 1.00 0.00 H new ATOM 0 HA2 GLY A 128 10.737 -3.475 -18.992 1.00 0.00 H new ATOM 0 HA3 GLY A 128 10.310 -4.476 -20.365 1.00 0.00 H new ATOM 1691 N PHE A 129 13.072 -5.199 -18.729 1.00 0.00 N ATOM 1692 CA PHE A 129 13.811 -6.269 -18.070 1.00 0.00 C ATOM 1693 C PHE A 129 13.288 -6.513 -16.660 1.00 0.00 C ATOM 1694 O PHE A 129 13.185 -5.585 -15.857 1.00 0.00 O ATOM 1695 CB PHE A 129 15.303 -5.934 -18.014 1.00 0.00 C ATOM 1696 CG PHE A 129 16.145 -7.014 -17.397 1.00 0.00 C ATOM 1697 CD1 PHE A 129 16.474 -8.153 -18.116 1.00 0.00 C ATOM 1698 CD2 PHE A 129 16.608 -6.894 -16.096 1.00 0.00 C ATOM 1699 CE1 PHE A 129 17.249 -9.147 -17.549 1.00 0.00 C ATOM 1700 CE2 PHE A 129 17.383 -7.885 -15.526 1.00 0.00 C ATOM 1701 CZ PHE A 129 17.703 -9.013 -16.255 1.00 0.00 C ATOM 0 H PHE A 129 13.614 -4.350 -18.891 1.00 0.00 H new ATOM 0 HA PHE A 129 13.668 -7.178 -18.655 1.00 0.00 H new ATOM 0 HB2 PHE A 129 15.661 -5.741 -19.025 1.00 0.00 H new ATOM 0 HB3 PHE A 129 15.438 -5.013 -17.447 1.00 0.00 H new ATOM 0 HD1 PHE A 129 16.121 -8.265 -19.130 1.00 0.00 H new ATOM 0 HD2 PHE A 129 16.360 -6.014 -15.521 1.00 0.00 H new ATOM 0 HE1 PHE A 129 17.499 -10.029 -18.120 1.00 0.00 H new ATOM 0 HE2 PHE A 129 17.738 -7.778 -14.512 1.00 0.00 H new ATOM 0 HZ PHE A 129 18.309 -9.790 -15.811 1.00 0.00 H new ATOM 1711 N SER A 130 12.959 -7.766 -16.365 1.00 0.00 N ATOM 1712 CA SER A 130 12.450 -8.134 -15.049 1.00 0.00 C ATOM 1713 C SER A 130 12.755 -9.592 -14.729 1.00 0.00 C ATOM 1714 O SER A 130 13.847 -9.906 -14.341 1.00 0.00 O ATOM 1715 CB SER A 130 10.955 -7.895 -14.981 1.00 0.00 C ATOM 1716 OG SER A 130 10.442 -8.271 -13.732 1.00 0.00 O ATOM 0 H SER A 130 13.036 -8.544 -17.020 1.00 0.00 H new ATOM 0 HA SER A 130 12.950 -7.509 -14.309 1.00 0.00 H new ATOM 0 HB2 SER A 130 10.743 -6.841 -15.163 1.00 0.00 H new ATOM 0 HB3 SER A 130 10.457 -8.461 -15.768 1.00 0.00 H new ATOM 0 HG SER A 130 9.476 -8.106 -13.712 1.00 0.00 H new TER 1722 SER A 130