USER MOD reduce.3.24.130724 H: found=0, std=0, add=1497, rem=0, adj=53 USER MOD reduce.3.24.130724 removed 1498 hydrogens (22 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 66 TYR OH : rot 19:sc= 0.0628 USER MOD Set 1.2: A 191 GLC O6 : rot -19:sc= 0.328 USER MOD Set 2.1: A 166 LYS NZ :NH3+ -174:sc= -0.0423 (180deg=-0.148) USER MOD Set 2.2: A 191 GLC O2 : rot -22:sc= 0.0594 USER MOD Set 2.3: A 191 GLC O3 : rot 180:sc= 0.0623 USER MOD Set 2.4: A 192 BGC O3 : rot -31:sc= 0 USER MOD Set 3.1: A 73 TYR OH : rot 46:sc= 0.165 USER MOD Set 3.2: A 168 CYS SG : rot 71:sc= 0.605 USER MOD Set 4.1: A 110 THR OG1 : rot 43:sc= 0.409 USER MOD Set 4.2: A 113 LYS NZ :NH3+ 145:sc= 0.437 (180deg=-0.0517) USER MOD Set 5.1: A 109 HIS : no HE2:sc= 0.164 K(o=0.18,f=-0.88) USER MOD Set 5.2: A 147 SER OG : rot 26:sc= 0.0192 USER MOD Set 6.1: A 15 ASN : amide:sc= -1.28 K(o=-0.26,f=-1.6!) USER MOD Set 6.2: A 63 THR OG1 : rot -82:sc= 1.02 USER MOD Set 7.1: A 58 GLN :FLIP amide:sc= -1.49! C(o=-2.4!,f=-1.2!) USER MOD Set 7.2: A 62 GLN :FLIP amide:sc= 0.328 F(o=-2.4,f=-1.2) USER MOD Set 8.1: A 20 SER OG : rot -32:sc= -1.58! USER MOD Set 8.2: A 28 HIS : no HD1:sc= -0.222 X(o=-1.8,f=-1.6) USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.0636 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 168:sc=-0.00757 (180deg=-0.153) USER MOD Single : A 21 HIS :FLIP no HD1:sc= -0.178 F(o=-0.7,f=-0.18) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 110:sc= -0.855 USER MOD Single : A 31 LYS NZ :NH3+ -169:sc=-0.00744 (180deg=-0.171) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 80:sc= -1.44! USER MOD Single : A 54 ASN : amide:sc= -0.0491 K(o=-0.049,f=-2.3!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.802 X(o=-0.8,f=-0.34) USER MOD Single : A 70 SER OG : rot 180:sc= -0.0254 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= -0.471 USER MOD Single : A 88 LYS NZ :NH3+ -135:sc= 1.06 (180deg=-0.828) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.0329 USER MOD Single : A 96 GLN : amide:sc= -1.47 K(o=-1.5,f=-4.2!) USER MOD Single : A 97 SER OG : rot -139:sc= 0.659 USER MOD Single : A 98 GLN :FLIP amide:sc= 0.501 F(o=-0.0091,f=0.5) USER MOD Single : A 99 GLN : amide:sc=-0.000411 X(o=-0.00041,f=-0.00041) USER MOD Single : A 100 LYS NZ :NH3+ -167:sc= -0.0102 (180deg=-0.212) USER MOD Single : A 107 ASN : amide:sc= -3.5! C(o=-3.5!,f=-5!) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=-0.006) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 180:sc=-0.000103 USER MOD Single : A 127 HIS : no HD1:sc= -0.0643 X(o=-0.064,f=-0.046) USER MOD Single : A 134 SER OG : rot 180:sc= -0.233 USER MOD Single : A 136 LYS NZ :NH3+ -137:sc= -1.01 (180deg=-2.19) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 LYS NZ :NH3+ 171:sc= -0.0303 (180deg=-0.245) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.37) USER MOD Single : A 154 SER OG : rot 21:sc= 0.03 USER MOD Single : A 159 LYS NZ :NH3+ 168:sc= -0.0139 (180deg=-0.167) USER MOD Single : A 161 TYR OH : rot 180:sc= 0 USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 164 ASN : amide:sc= -1.3 K(o=-1.3,f=-2.6) USER MOD Single : A 173 MET CE :methyl 149:sc= -0.24 (180deg=-0.869) USER MOD Single : A 174 LYS NZ :NH3+ -160:sc= -0.104 (180deg=-0.457) USER MOD Single : A 176 THR OG1 : rot 180:sc= 0 USER MOD Single : A 182 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 184 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 186 HIS : no HD1:sc= 0.00137 K(o=0.0014,f=-5.5!) USER MOD Single : A 191 GLC O4 : rot -51:sc= 0.165 USER MOD Single : A 192 BGC O1 : rot 180:sc= 0 USER MOD Single : A 192 BGC O2 : rot 180:sc= 0 USER MOD Single : A 192 BGC O6 : rot -13:sc= 0.325 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.956 -18.756 -8.180 1.00 8.93 N ATOM 2 CA GLY A 1 9.301 -19.323 -7.884 1.00 8.42 C ATOM 3 C GLY A 1 10.158 -18.389 -7.050 1.00 7.62 C ATOM 4 O GLY A 1 9.703 -17.313 -6.657 1.00 7.93 O ATOM 0 H1 GLY A 1 7.230 -19.485 -8.025 1.00 8.93 H new ATOM 0 H2 GLY A 1 7.774 -17.947 -7.552 1.00 8.93 H new ATOM 0 H3 GLY A 1 7.923 -18.439 -9.170 1.00 8.93 H new ATOM 0 HA2 GLY A 1 9.184 -20.270 -7.357 1.00 8.42 H new ATOM 0 HA3 GLY A 1 9.814 -19.541 -8.821 1.00 8.42 H new ATOM 10 N ALA A 2 11.445 -18.825 -6.788 1.00 6.82 N ATOM 11 CA ALA A 2 12.525 -18.107 -5.980 1.00 6.18 C ATOM 12 C ALA A 2 12.171 -17.861 -4.475 1.00 5.26 C ATOM 13 O ALA A 2 11.195 -17.170 -4.136 1.00 5.28 O ATOM 14 CB ALA A 2 13.061 -16.805 -6.669 1.00 6.51 C ATOM 0 H ALA A 2 11.777 -19.721 -7.145 1.00 6.82 H new ATOM 0 HA ALA A 2 13.345 -18.825 -5.970 1.00 6.18 H new ATOM 0 HB1 ALA A 2 13.824 -16.348 -6.039 1.00 6.51 H new ATOM 0 HB2 ALA A 2 13.493 -17.057 -7.638 1.00 6.51 H new ATOM 0 HB3 ALA A 2 12.239 -16.103 -6.810 1.00 6.51 H new ATOM 20 N MET A 3 12.980 -18.466 -3.583 1.00 4.80 N ATOM 21 CA MET A 3 12.791 -18.342 -2.127 1.00 4.18 C ATOM 22 C MET A 3 14.145 -18.232 -1.402 1.00 3.48 C ATOM 23 O MET A 3 14.953 -19.171 -1.416 1.00 3.94 O ATOM 24 CB MET A 3 11.990 -19.552 -1.591 1.00 4.96 C ATOM 25 CG MET A 3 11.325 -19.335 -0.218 1.00 5.72 C ATOM 26 SD MET A 3 9.990 -18.120 -0.274 1.00 6.64 S ATOM 27 CE MET A 3 9.421 -18.144 1.426 1.00 7.64 C ATOM 0 H MET A 3 13.774 -19.048 -3.849 1.00 4.80 H new ATOM 0 HA MET A 3 12.229 -17.429 -1.931 1.00 4.18 H new ATOM 0 HB2 MET A 3 11.217 -19.807 -2.316 1.00 4.96 H new ATOM 0 HB3 MET A 3 12.659 -20.410 -1.523 1.00 4.96 H new ATOM 0 HG2 MET A 3 10.931 -20.285 0.145 1.00 5.72 H new ATOM 0 HG3 MET A 3 12.079 -19.008 0.498 1.00 5.72 H new ATOM 0 HE1 MET A 3 8.596 -17.441 1.544 1.00 7.64 H new ATOM 0 HE2 MET A 3 9.082 -19.148 1.682 1.00 7.64 H new ATOM 0 HE3 MET A 3 10.239 -17.858 2.087 1.00 7.64 H new ATOM 37 N SER A 4 14.375 -17.074 -0.760 1.00 2.65 N ATOM 38 CA SER A 4 15.625 -16.810 -0.020 1.00 2.27 C ATOM 39 C SER A 4 15.360 -16.257 1.397 1.00 1.31 C ATOM 40 O SER A 4 15.661 -16.931 2.387 1.00 0.88 O ATOM 41 CB SER A 4 16.527 -15.840 -0.805 1.00 2.95 C ATOM 42 OG SER A 4 17.242 -16.509 -1.832 1.00 3.86 O ATOM 0 H SER A 4 13.709 -16.301 -0.738 1.00 2.65 H new ATOM 0 HA SER A 4 16.136 -17.766 0.090 1.00 2.27 H new ATOM 0 HB2 SER A 4 15.918 -15.048 -1.241 1.00 2.95 H new ATOM 0 HB3 SER A 4 17.230 -15.363 -0.123 1.00 2.95 H new ATOM 0 HG SER A 4 17.804 -15.865 -2.312 1.00 3.86 H new ATOM 48 N GLY A 5 14.800 -15.034 1.485 1.00 1.11 N ATOM 49 CA GLY A 5 14.515 -14.419 2.777 1.00 0.31 C ATOM 50 C GLY A 5 13.901 -13.034 2.659 1.00 0.28 C ATOM 51 O GLY A 5 14.619 -12.043 2.511 1.00 0.31 O ATOM 0 H GLY A 5 14.542 -14.465 0.679 1.00 1.11 H new ATOM 0 HA2 GLY A 5 13.837 -15.063 3.337 1.00 0.31 H new ATOM 0 HA3 GLY A 5 15.439 -14.352 3.352 1.00 0.31 H new ATOM 55 N LEU A 6 12.552 -12.973 2.728 1.00 0.23 N ATOM 56 CA LEU A 6 11.784 -11.700 2.653 1.00 0.22 C ATOM 57 C LEU A 6 11.604 -11.013 4.048 1.00 0.17 C ATOM 58 O LEU A 6 11.734 -9.782 4.172 1.00 0.16 O ATOM 59 CB LEU A 6 10.423 -11.971 1.963 1.00 0.24 C ATOM 60 CG LEU A 6 9.558 -10.731 1.589 1.00 0.27 C ATOM 61 CD1 LEU A 6 10.319 -9.670 0.795 1.00 0.33 C ATOM 62 CD2 LEU A 6 8.284 -11.102 0.822 1.00 0.35 C ATOM 0 H LEU A 6 11.963 -13.799 2.837 1.00 0.23 H new ATOM 0 HA LEU A 6 12.357 -10.990 2.057 1.00 0.22 H new ATOM 0 HB2 LEU A 6 10.613 -12.538 1.052 1.00 0.24 H new ATOM 0 HB3 LEU A 6 9.832 -12.610 2.619 1.00 0.24 H new ATOM 0 HG LEU A 6 9.283 -10.305 2.554 1.00 0.27 H new ATOM 0 HD11 LEU A 6 9.653 -8.837 0.570 1.00 0.33 H new ATOM 0 HD12 LEU A 6 11.164 -9.311 1.383 1.00 0.33 H new ATOM 0 HD13 LEU A 6 10.684 -10.104 -0.136 1.00 0.33 H new ATOM 0 HD21 LEU A 6 7.723 -10.197 0.589 1.00 0.35 H new ATOM 0 HD22 LEU A 6 8.552 -11.611 -0.104 1.00 0.35 H new ATOM 0 HD23 LEU A 6 7.670 -11.762 1.434 1.00 0.35 H new ATOM 74 N ALA A 7 11.294 -11.844 5.087 1.00 0.17 N ATOM 75 CA ALA A 7 11.150 -11.436 6.532 1.00 0.16 C ATOM 76 C ALA A 7 12.448 -10.798 7.174 1.00 0.15 C ATOM 77 O ALA A 7 12.360 -10.028 8.142 1.00 0.15 O ATOM 78 CB ALA A 7 10.712 -12.673 7.345 1.00 0.20 C ATOM 0 H ALA A 7 11.132 -12.841 4.947 1.00 0.17 H new ATOM 0 HA ALA A 7 10.402 -10.644 6.562 1.00 0.16 H new ATOM 0 HB1 ALA A 7 10.602 -12.399 8.394 1.00 0.20 H new ATOM 0 HB2 ALA A 7 9.759 -13.040 6.964 1.00 0.20 H new ATOM 0 HB3 ALA A 7 11.465 -13.455 7.252 1.00 0.20 H new ATOM 84 N ASP A 8 13.647 -11.113 6.594 1.00 0.16 N ATOM 85 CA ASP A 8 14.955 -10.568 7.042 1.00 0.18 C ATOM 86 C ASP A 8 15.322 -9.192 6.385 1.00 0.17 C ATOM 87 O ASP A 8 16.267 -8.533 6.828 1.00 0.21 O ATOM 88 CB ASP A 8 16.074 -11.586 6.762 1.00 0.21 C ATOM 89 CG ASP A 8 16.467 -12.396 7.993 1.00 0.26 C ATOM 90 OD1 ASP A 8 17.286 -11.899 8.796 1.00 0.32 O ATOM 91 OD2 ASP A 8 15.955 -13.524 8.149 1.00 0.31 O ATOM 0 H ASP A 8 13.726 -11.752 5.803 1.00 0.16 H new ATOM 0 HA ASP A 8 14.859 -10.389 8.113 1.00 0.18 H new ATOM 0 HB2 ASP A 8 15.749 -12.267 5.975 1.00 0.21 H new ATOM 0 HB3 ASP A 8 16.951 -11.059 6.386 1.00 0.21 H new ATOM 96 N LYS A 9 14.562 -8.771 5.333 1.00 0.14 N ATOM 97 CA LYS A 9 14.805 -7.485 4.634 1.00 0.14 C ATOM 98 C LYS A 9 13.760 -6.387 4.981 1.00 0.10 C ATOM 99 O LYS A 9 14.072 -5.206 4.807 1.00 0.10 O ATOM 100 CB LYS A 9 14.876 -7.651 3.089 1.00 0.19 C ATOM 101 CG LYS A 9 15.433 -9.007 2.589 1.00 0.32 C ATOM 102 CD LYS A 9 16.933 -9.199 2.917 1.00 0.92 C ATOM 103 CE LYS A 9 17.485 -10.521 2.355 1.00 1.20 C ATOM 104 NZ LYS A 9 17.393 -10.576 0.870 1.00 1.73 N ATOM 0 H LYS A 9 13.780 -9.306 4.956 1.00 0.14 H new ATOM 0 HA LYS A 9 15.777 -7.156 5.002 1.00 0.14 H new ATOM 0 HB2 LYS A 9 13.875 -7.516 2.680 1.00 0.19 H new ATOM 0 HB3 LYS A 9 15.496 -6.852 2.683 1.00 0.19 H new ATOM 0 HG2 LYS A 9 14.861 -9.818 3.040 1.00 0.32 H new ATOM 0 HG3 LYS A 9 15.290 -9.078 1.511 1.00 0.32 H new ATOM 0 HD2 LYS A 9 17.503 -8.365 2.507 1.00 0.92 H new ATOM 0 HD3 LYS A 9 17.073 -9.179 3.998 1.00 0.92 H new ATOM 0 HE2 LYS A 9 18.525 -10.638 2.659 1.00 1.20 H new ATOM 0 HE3 LYS A 9 16.932 -11.357 2.784 1.00 1.20 H new ATOM 0 HZ1 LYS A 9 17.952 -11.379 0.517 1.00 1.73 H new ATOM 0 HZ2 LYS A 9 16.399 -10.695 0.588 1.00 1.73 H new ATOM 0 HZ3 LYS A 9 17.764 -9.692 0.466 1.00 1.73 H new ATOM 118 N VAL A 10 12.507 -6.762 5.447 1.00 0.09 N ATOM 119 CA VAL A 10 11.433 -5.776 5.871 1.00 0.07 C ATOM 120 C VAL A 10 11.880 -4.702 6.963 1.00 0.06 C ATOM 121 O VAL A 10 12.566 -5.026 7.940 1.00 0.09 O ATOM 122 CB VAL A 10 10.080 -6.569 6.272 1.00 0.08 C ATOM 123 CG1 VAL A 10 10.121 -7.369 7.620 1.00 0.11 C ATOM 124 CG2 VAL A 10 8.805 -5.671 6.243 1.00 0.10 C ATOM 0 H VAL A 10 12.220 -7.737 5.537 1.00 0.09 H new ATOM 0 HA VAL A 10 11.231 -5.154 4.999 1.00 0.07 H new ATOM 0 HB VAL A 10 10.020 -7.313 5.477 1.00 0.08 H new ATOM 0 HG11 VAL A 10 9.160 -7.858 7.782 1.00 0.11 H new ATOM 0 HG12 VAL A 10 10.908 -8.122 7.573 1.00 0.11 H new ATOM 0 HG13 VAL A 10 10.323 -6.684 8.444 1.00 0.11 H new ATOM 0 HG21 VAL A 10 7.935 -6.265 6.522 1.00 0.10 H new ATOM 0 HG22 VAL A 10 8.923 -4.848 6.948 1.00 0.10 H new ATOM 0 HG23 VAL A 10 8.665 -5.271 5.239 1.00 0.10 H new ATOM 134 N ILE A 11 11.468 -3.443 6.730 1.00 0.06 N ATOM 135 CA ILE A 11 11.767 -2.336 7.673 1.00 0.07 C ATOM 136 C ILE A 11 10.486 -1.612 8.151 1.00 0.07 C ATOM 137 O ILE A 11 10.469 -1.078 9.264 1.00 0.08 O ATOM 138 CB ILE A 11 12.780 -1.254 7.112 1.00 0.10 C ATOM 139 CG1 ILE A 11 12.468 -0.876 5.620 1.00 0.10 C ATOM 140 CG2 ILE A 11 14.263 -1.724 7.293 1.00 0.13 C ATOM 141 CD1 ILE A 11 12.541 0.625 5.301 1.00 0.16 C ATOM 0 H ILE A 11 10.933 -3.163 5.908 1.00 0.06 H new ATOM 0 HA ILE A 11 12.249 -2.836 8.513 1.00 0.07 H new ATOM 0 HB ILE A 11 12.647 -0.346 7.700 1.00 0.10 H new ATOM 0 HG12 ILE A 11 13.169 -1.404 4.973 1.00 0.10 H new ATOM 0 HG13 ILE A 11 11.470 -1.237 5.371 1.00 0.10 H new ATOM 0 HG21 ILE A 11 14.937 -0.963 6.900 1.00 0.13 H new ATOM 0 HG22 ILE A 11 14.469 -1.878 8.352 1.00 0.13 H new ATOM 0 HG23 ILE A 11 14.417 -2.658 6.753 1.00 0.13 H new ATOM 0 HD11 ILE A 11 12.310 0.785 4.248 1.00 0.16 H new ATOM 0 HD12 ILE A 11 11.820 1.163 5.916 1.00 0.16 H new ATOM 0 HD13 ILE A 11 13.545 0.994 5.512 1.00 0.16 H new ATOM 153 N TRP A 12 9.410 -1.600 7.315 1.00 0.06 N ATOM 154 CA TRP A 12 8.162 -0.897 7.664 1.00 0.07 C ATOM 155 C TRP A 12 6.963 -1.366 6.780 1.00 0.08 C ATOM 156 O TRP A 12 6.998 -1.226 5.568 1.00 0.10 O ATOM 157 CB TRP A 12 8.458 0.611 7.498 1.00 0.10 C ATOM 158 CG TRP A 12 7.425 1.539 8.043 1.00 0.09 C ATOM 159 CD1 TRP A 12 7.374 2.128 9.274 1.00 0.19 C ATOM 160 CD2 TRP A 12 6.297 1.990 7.328 1.00 0.22 C ATOM 161 NE1 TRP A 12 6.262 2.928 9.354 1.00 0.26 N ATOM 162 CE2 TRP A 12 5.583 2.850 8.162 1.00 0.30 C ATOM 163 CE3 TRP A 12 5.834 1.730 6.045 1.00 0.35 C ATOM 164 CZ2 TRP A 12 4.416 3.460 7.744 1.00 0.44 C ATOM 165 CZ3 TRP A 12 4.691 2.318 5.621 1.00 0.51 C ATOM 166 CH2 TRP A 12 3.977 3.184 6.462 1.00 0.54 C ATOM 0 H TRP A 12 9.390 -2.066 6.408 1.00 0.06 H new ATOM 0 HA TRP A 12 7.858 -1.120 8.687 1.00 0.07 H new ATOM 0 HB2 TRP A 12 9.409 0.831 7.983 1.00 0.10 H new ATOM 0 HB3 TRP A 12 8.585 0.822 6.436 1.00 0.10 H new ATOM 0 HD1 TRP A 12 8.098 1.986 10.063 1.00 0.19 H new ATOM 0 HE1 TRP A 12 5.986 3.486 10.162 1.00 0.26 H new ATOM 0 HE3 TRP A 12 6.380 1.065 5.392 1.00 0.35 H new ATOM 0 HZ2 TRP A 12 3.868 4.127 8.393 1.00 0.44 H new ATOM 0 HZ3 TRP A 12 4.325 2.118 4.625 1.00 0.51 H new ATOM 0 HH2 TRP A 12 3.068 3.643 6.102 1.00 0.54 H new ATOM 177 N ALA A 13 5.887 -1.946 7.398 1.00 0.09 N ATOM 178 CA ALA A 13 4.664 -2.412 6.642 1.00 0.12 C ATOM 179 C ALA A 13 3.346 -2.053 7.392 1.00 0.16 C ATOM 180 O ALA A 13 3.222 -2.286 8.608 1.00 0.19 O ATOM 181 CB ALA A 13 4.709 -3.936 6.339 1.00 0.14 C ATOM 0 H ALA A 13 5.835 -2.103 8.404 1.00 0.09 H new ATOM 0 HA ALA A 13 4.673 -1.878 5.692 1.00 0.12 H new ATOM 0 HB1 ALA A 13 3.810 -4.225 5.795 1.00 0.14 H new ATOM 0 HB2 ALA A 13 5.588 -4.161 5.734 1.00 0.14 H new ATOM 0 HB3 ALA A 13 4.761 -4.492 7.275 1.00 0.14 H new ATOM 187 N VAL A 14 2.350 -1.458 6.660 1.00 0.20 N ATOM 188 CA VAL A 14 1.040 -1.044 7.284 1.00 0.26 C ATOM 189 C VAL A 14 -0.207 -1.341 6.362 1.00 0.27 C ATOM 190 O VAL A 14 -0.240 -0.958 5.195 1.00 0.28 O ATOM 191 CB VAL A 14 0.988 0.536 7.733 1.00 0.34 C ATOM 192 CG1 VAL A 14 -0.305 0.964 8.499 1.00 0.80 C ATOM 193 CG2 VAL A 14 2.145 0.978 8.639 1.00 1.05 C ATOM 0 H VAL A 14 2.422 -1.257 5.663 1.00 0.20 H new ATOM 0 HA VAL A 14 0.982 -1.662 8.180 1.00 0.26 H new ATOM 0 HB VAL A 14 1.039 1.019 6.757 1.00 0.34 H new ATOM 0 HG11 VAL A 14 -0.245 2.023 8.752 1.00 0.80 H new ATOM 0 HG12 VAL A 14 -1.176 0.791 7.867 1.00 0.80 H new ATOM 0 HG13 VAL A 14 -0.397 0.377 9.413 1.00 0.80 H new ATOM 0 HG21 VAL A 14 2.031 2.033 8.886 1.00 1.05 H new ATOM 0 HG22 VAL A 14 2.136 0.388 9.555 1.00 1.05 H new ATOM 0 HG23 VAL A 14 3.092 0.827 8.120 1.00 1.05 H new ATOM 203 N ASN A 15 -1.246 -1.994 6.958 1.00 0.33 N ATOM 204 CA ASN A 15 -2.562 -2.182 6.289 1.00 0.43 C ATOM 205 C ASN A 15 -3.609 -1.404 7.118 1.00 0.46 C ATOM 206 O ASN A 15 -4.019 -1.847 8.184 1.00 0.55 O ATOM 207 CB ASN A 15 -3.023 -3.683 6.066 1.00 0.56 C ATOM 208 CG ASN A 15 -4.246 -3.810 5.140 1.00 1.40 C ATOM 209 OD1 ASN A 15 -4.319 -3.183 4.091 1.00 2.05 O ATOM 210 ND2 ASN A 15 -5.224 -4.601 5.556 1.00 2.11 N ATOM 0 H ASN A 15 -1.196 -2.396 7.894 1.00 0.33 H new ATOM 0 HA ASN A 15 -2.461 -1.801 5.273 1.00 0.43 H new ATOM 0 HB2 ASN A 15 -2.195 -4.252 5.643 1.00 0.56 H new ATOM 0 HB3 ASN A 15 -3.258 -4.131 7.031 1.00 0.56 H new ATOM 0 HD21 ASN A 15 -6.071 -4.702 4.997 1.00 2.11 H new ATOM 0 HD22 ASN A 15 -5.130 -5.109 6.435 1.00 2.11 H new ATOM 217 N ALA A 16 -4.072 -0.255 6.576 1.00 0.47 N ATOM 218 CA ALA A 16 -5.074 0.601 7.250 1.00 0.54 C ATOM 219 C ALA A 16 -6.518 0.025 7.101 1.00 0.58 C ATOM 220 O ALA A 16 -7.111 0.018 5.999 1.00 0.63 O ATOM 221 CB ALA A 16 -4.958 2.059 6.736 1.00 0.59 C ATOM 0 H ALA A 16 -3.766 0.102 5.671 1.00 0.47 H new ATOM 0 HA ALA A 16 -4.864 0.609 8.320 1.00 0.54 H new ATOM 0 HB1 ALA A 16 -5.699 2.682 7.237 1.00 0.59 H new ATOM 0 HB2 ALA A 16 -3.960 2.441 6.948 1.00 0.59 H new ATOM 0 HB3 ALA A 16 -5.134 2.081 5.660 1.00 0.59 H new ATOM 227 N GLY A 17 -7.009 -0.542 8.230 1.00 0.58 N ATOM 228 CA GLY A 17 -8.335 -1.153 8.280 1.00 0.61 C ATOM 229 C GLY A 17 -8.616 -1.971 9.536 1.00 0.62 C ATOM 230 O GLY A 17 -9.508 -1.624 10.314 1.00 0.71 O ATOM 0 H GLY A 17 -6.497 -0.583 9.111 1.00 0.58 H new ATOM 0 HA2 GLY A 17 -9.085 -0.366 8.201 1.00 0.61 H new ATOM 0 HA3 GLY A 17 -8.456 -1.798 7.409 1.00 0.61 H new ATOM 234 N GLY A 18 -7.845 -3.068 9.733 1.00 0.72 N ATOM 235 CA GLY A 18 -8.037 -3.966 10.895 1.00 0.73 C ATOM 236 C GLY A 18 -7.130 -3.665 12.095 1.00 0.68 C ATOM 237 O GLY A 18 -7.226 -2.585 12.684 1.00 0.80 O ATOM 0 H GLY A 18 -7.091 -3.350 9.107 1.00 0.72 H new ATOM 0 HA2 GLY A 18 -9.076 -3.903 11.218 1.00 0.73 H new ATOM 0 HA3 GLY A 18 -7.864 -4.994 10.575 1.00 0.73 H new ATOM 241 N GLU A 19 -6.243 -4.625 12.444 1.00 0.59 N ATOM 242 CA GLU A 19 -5.296 -4.498 13.557 1.00 0.60 C ATOM 243 C GLU A 19 -4.281 -5.656 13.516 1.00 0.54 C ATOM 244 O GLU A 19 -4.652 -6.813 13.745 1.00 0.65 O ATOM 245 CB GLU A 19 -6.013 -4.539 14.939 1.00 0.77 C ATOM 246 CG GLU A 19 -6.474 -3.187 15.507 1.00 1.43 C ATOM 247 CD GLU A 19 -7.173 -3.335 16.847 1.00 1.39 C ATOM 248 OE1 GLU A 19 -6.480 -3.291 17.885 1.00 1.63 O ATOM 249 OE2 GLU A 19 -8.411 -3.497 16.858 1.00 1.50 O ATOM 0 H GLU A 19 -6.170 -5.515 11.951 1.00 0.59 H new ATOM 0 HA GLU A 19 -4.798 -3.535 13.443 1.00 0.60 H new ATOM 0 HB2 GLU A 19 -6.884 -5.189 14.854 1.00 0.77 H new ATOM 0 HB3 GLU A 19 -5.339 -5.002 15.660 1.00 0.77 H new ATOM 0 HG2 GLU A 19 -5.612 -2.529 15.620 1.00 1.43 H new ATOM 0 HG3 GLU A 19 -7.149 -2.708 14.798 1.00 1.43 H new ATOM 256 N SER A 20 -2.982 -5.309 13.264 1.00 0.48 N ATOM 257 CA SER A 20 -1.783 -6.239 13.193 1.00 0.45 C ATOM 258 C SER A 20 -1.917 -7.563 12.366 1.00 0.43 C ATOM 259 O SER A 20 -2.645 -8.474 12.780 1.00 0.51 O ATOM 260 CB SER A 20 -1.325 -6.617 14.609 1.00 0.52 C ATOM 261 OG SER A 20 -0.195 -5.856 15.003 1.00 1.00 O ATOM 0 H SER A 20 -2.719 -4.338 13.096 1.00 0.48 H new ATOM 0 HA SER A 20 -1.060 -5.639 12.640 1.00 0.45 H new ATOM 0 HB2 SER A 20 -2.140 -6.453 15.314 1.00 0.52 H new ATOM 0 HB3 SER A 20 -1.082 -7.679 14.644 1.00 0.52 H new ATOM 0 HG SER A 20 0.357 -5.659 14.217 1.00 1.00 H new ATOM 267 N HIS A 21 -1.198 -7.691 11.225 1.00 0.39 N ATOM 268 CA HIS A 21 -1.273 -8.965 10.452 1.00 0.40 C ATOM 269 C HIS A 21 0.088 -9.470 9.947 1.00 0.40 C ATOM 270 O HIS A 21 0.889 -8.735 9.381 1.00 0.41 O ATOM 271 CB HIS A 21 -2.283 -8.904 9.271 1.00 0.43 C ATOM 272 CG HIS A 21 -2.438 -10.226 8.527 1.00 0.41 C ATOM 273 ND1 HIS A 21 -1.897 -10.683 7.357 1.00 0.39 N flip ATOM 274 CD2 HIS A 21 -3.144 -11.292 9.037 1.00 0.45 C flip ATOM 275 CE1 HIS A 21 -2.275 -11.975 7.207 1.00 0.40 C flip ATOM 276 NE2 HIS A 21 -3.020 -12.323 8.220 1.00 0.43 N flip ATOM 0 H HIS A 21 -0.589 -6.974 10.831 1.00 0.39 H new ATOM 0 HA HIS A 21 -1.639 -9.687 11.181 1.00 0.40 H new ATOM 0 HB2 HIS A 21 -3.256 -8.596 9.653 1.00 0.43 H new ATOM 0 HB3 HIS A 21 -1.959 -8.137 8.567 1.00 0.43 H new ATOM 0 HD2 HIS A 21 -3.709 -11.287 9.958 1.00 0.45 H new ATOM 0 HE1 HIS A 21 -2.003 -12.615 6.381 1.00 0.40 H new ATOM 0 HE2 HIS A 21 -3.439 -13.243 8.359 1.00 0.43 H new ATOM 285 N VAL A 22 0.271 -10.796 10.112 1.00 0.41 N ATOM 286 CA VAL A 22 1.477 -11.535 9.662 1.00 0.43 C ATOM 287 C VAL A 22 1.072 -12.336 8.377 1.00 0.44 C ATOM 288 O VAL A 22 0.321 -13.317 8.460 1.00 0.48 O ATOM 289 CB VAL A 22 2.064 -12.492 10.826 1.00 0.49 C ATOM 290 CG1 VAL A 22 3.230 -13.443 10.401 1.00 1.38 C ATOM 291 CG2 VAL A 22 2.593 -11.698 12.026 1.00 1.39 C ATOM 0 H VAL A 22 -0.420 -11.394 10.566 1.00 0.41 H new ATOM 0 HA VAL A 22 2.287 -10.843 9.430 1.00 0.43 H new ATOM 0 HB VAL A 22 1.190 -13.094 11.077 1.00 0.49 H new ATOM 0 HG11 VAL A 22 3.545 -14.038 11.258 1.00 1.38 H new ATOM 0 HG12 VAL A 22 2.888 -14.106 9.606 1.00 1.38 H new ATOM 0 HG13 VAL A 22 4.071 -12.850 10.042 1.00 1.38 H new ATOM 0 HG21 VAL A 22 2.975 -12.388 12.779 1.00 1.39 H new ATOM 0 HG22 VAL A 22 3.395 -11.036 11.699 1.00 1.39 H new ATOM 0 HG23 VAL A 22 1.785 -11.105 12.455 1.00 1.39 H new ATOM 301 N ASP A 23 1.588 -11.903 7.208 1.00 0.41 N ATOM 302 CA ASP A 23 1.298 -12.575 5.909 1.00 0.44 C ATOM 303 C ASP A 23 2.295 -13.737 5.612 1.00 0.43 C ATOM 304 O ASP A 23 3.410 -13.748 6.153 1.00 0.41 O ATOM 305 CB ASP A 23 1.141 -11.558 4.706 1.00 0.49 C ATOM 306 CG ASP A 23 2.242 -10.517 4.503 1.00 1.04 C ATOM 307 OD1 ASP A 23 2.306 -9.562 5.302 1.00 1.85 O ATOM 308 OD2 ASP A 23 3.001 -10.654 3.517 1.00 1.46 O ATOM 0 H ASP A 23 2.206 -11.095 7.129 1.00 0.41 H new ATOM 0 HA ASP A 23 0.318 -13.040 6.015 1.00 0.44 H new ATOM 0 HB2 ASP A 23 1.055 -12.138 3.787 1.00 0.49 H new ATOM 0 HB3 ASP A 23 0.198 -11.027 4.838 1.00 0.49 H new ATOM 313 N VAL A 24 1.862 -14.655 4.692 1.00 0.47 N ATOM 314 CA VAL A 24 2.564 -15.966 4.267 1.00 0.50 C ATOM 315 C VAL A 24 4.118 -15.991 4.049 1.00 0.47 C ATOM 316 O VAL A 24 4.727 -17.055 4.200 1.00 0.51 O ATOM 317 CB VAL A 24 1.900 -16.687 2.992 1.00 0.57 C ATOM 318 CG1 VAL A 24 0.751 -17.624 3.399 1.00 0.72 C ATOM 319 CG2 VAL A 24 1.387 -15.729 1.869 1.00 0.58 C ATOM 0 H VAL A 24 0.983 -14.521 4.192 1.00 0.47 H new ATOM 0 HA VAL A 24 2.389 -16.508 5.196 1.00 0.50 H new ATOM 0 HB VAL A 24 2.730 -17.253 2.568 1.00 0.57 H new ATOM 0 HG11 VAL A 24 0.330 -18.091 2.509 1.00 0.72 H new ATOM 0 HG12 VAL A 24 1.131 -18.396 4.069 1.00 0.72 H new ATOM 0 HG13 VAL A 24 -0.023 -17.050 3.909 1.00 0.72 H new ATOM 0 HG21 VAL A 24 0.958 -16.317 1.057 1.00 0.58 H new ATOM 0 HG22 VAL A 24 0.625 -15.065 2.277 1.00 0.58 H new ATOM 0 HG23 VAL A 24 2.219 -15.137 1.488 1.00 0.58 H new ATOM 329 N HIS A 25 4.740 -14.857 3.707 1.00 0.42 N ATOM 330 CA HIS A 25 6.212 -14.790 3.534 1.00 0.40 C ATOM 331 C HIS A 25 6.948 -14.341 4.842 1.00 0.36 C ATOM 332 O HIS A 25 8.174 -14.436 4.937 1.00 0.39 O ATOM 333 CB HIS A 25 6.560 -13.825 2.392 1.00 0.38 C ATOM 334 CG HIS A 25 5.827 -14.090 1.103 1.00 0.42 C ATOM 335 ND1 HIS A 25 6.157 -15.117 0.242 1.00 0.45 N ATOM 336 CD2 HIS A 25 4.768 -13.458 0.537 1.00 0.48 C ATOM 337 CE1 HIS A 25 5.336 -15.104 -0.793 1.00 0.49 C ATOM 338 NE2 HIS A 25 4.484 -14.108 -0.638 1.00 0.51 N ATOM 0 H HIS A 25 4.258 -13.973 3.543 1.00 0.42 H new ATOM 0 HA HIS A 25 6.554 -15.797 3.294 1.00 0.40 H new ATOM 0 HB2 HIS A 25 6.343 -12.807 2.715 1.00 0.38 H new ATOM 0 HB3 HIS A 25 7.632 -13.878 2.203 1.00 0.38 H new ATOM 0 HD2 HIS A 25 4.245 -12.602 0.937 1.00 0.48 H new ATOM 0 HE1 HIS A 25 5.358 -15.792 -1.625 1.00 0.49 H new ATOM 0 HE2 HIS A 25 3.736 -13.861 -1.286 1.00 0.51 H new ATOM 347 N GLY A 26 6.156 -13.857 5.837 1.00 0.34 N ATOM 348 CA GLY A 26 6.654 -13.394 7.130 1.00 0.32 C ATOM 349 C GLY A 26 6.737 -11.876 7.260 1.00 0.27 C ATOM 350 O GLY A 26 7.660 -11.343 7.878 1.00 0.26 O ATOM 0 H GLY A 26 5.143 -13.783 5.747 1.00 0.34 H new ATOM 0 HA2 GLY A 26 6.005 -13.780 7.916 1.00 0.32 H new ATOM 0 HA3 GLY A 26 7.645 -13.817 7.298 1.00 0.32 H new ATOM 354 N ILE A 27 5.736 -11.191 6.682 1.00 0.26 N ATOM 355 CA ILE A 27 5.648 -9.719 6.708 1.00 0.23 C ATOM 356 C ILE A 27 4.534 -9.304 7.729 1.00 0.26 C ATOM 357 O ILE A 27 3.443 -9.864 7.734 1.00 0.33 O ATOM 358 CB ILE A 27 5.443 -9.194 5.211 1.00 0.22 C ATOM 359 CG1 ILE A 27 6.663 -9.539 4.264 1.00 0.18 C ATOM 360 CG2 ILE A 27 5.093 -7.679 5.035 1.00 0.26 C ATOM 361 CD1 ILE A 27 8.089 -9.170 4.704 1.00 0.55 C ATOM 0 H ILE A 27 4.967 -11.639 6.185 1.00 0.26 H new ATOM 0 HA ILE A 27 6.563 -9.244 7.062 1.00 0.23 H new ATOM 0 HB ILE A 27 4.553 -9.750 4.915 1.00 0.22 H new ATOM 0 HG12 ILE A 27 6.644 -10.614 4.085 1.00 0.18 H new ATOM 0 HG13 ILE A 27 6.481 -9.053 3.306 1.00 0.18 H new ATOM 0 HG21 ILE A 27 4.980 -7.452 3.975 1.00 0.26 H new ATOM 0 HG22 ILE A 27 4.160 -7.458 5.554 1.00 0.26 H new ATOM 0 HG23 ILE A 27 5.894 -7.070 5.453 1.00 0.26 H new ATOM 0 HD11 ILE A 27 8.798 -9.479 3.936 1.00 0.55 H new ATOM 0 HD12 ILE A 27 8.158 -8.092 4.848 1.00 0.55 H new ATOM 0 HD13 ILE A 27 8.324 -9.677 5.640 1.00 0.55 H new ATOM 373 N HIS A 28 4.822 -8.301 8.563 1.00 0.25 N ATOM 374 CA HIS A 28 3.875 -7.893 9.604 1.00 0.30 C ATOM 375 C HIS A 28 3.459 -6.403 9.549 1.00 0.28 C ATOM 376 O HIS A 28 4.301 -5.505 9.449 1.00 0.28 O ATOM 377 CB HIS A 28 4.517 -8.203 10.972 1.00 0.40 C ATOM 378 CG HIS A 28 3.594 -8.265 12.170 1.00 0.63 C ATOM 379 ND1 HIS A 28 4.009 -8.757 13.388 1.00 0.93 N ATOM 380 CD2 HIS A 28 2.286 -7.936 12.332 1.00 0.96 C ATOM 381 CE1 HIS A 28 3.000 -8.736 14.237 1.00 1.30 C ATOM 382 NE2 HIS A 28 1.946 -8.241 13.624 1.00 1.34 N ATOM 0 H HIS A 28 5.689 -7.764 8.540 1.00 0.25 H new ATOM 0 HA HIS A 28 2.954 -8.453 9.441 1.00 0.30 H new ATOM 0 HB2 HIS A 28 5.034 -9.159 10.894 1.00 0.40 H new ATOM 0 HB3 HIS A 28 5.276 -7.446 11.169 1.00 0.40 H new ATOM 0 HD2 HIS A 28 1.635 -7.513 11.582 1.00 0.96 H new ATOM 0 HE1 HIS A 28 3.033 -9.069 15.264 1.00 1.30 H new ATOM 0 HE2 HIS A 28 1.026 -8.106 14.042 1.00 1.34 H new ATOM 391 N TYR A 29 2.122 -6.173 9.643 1.00 0.33 N ATOM 392 CA TYR A 29 1.533 -4.806 9.709 1.00 0.38 C ATOM 393 C TYR A 29 1.333 -4.384 11.198 1.00 0.45 C ATOM 394 O TYR A 29 0.825 -5.164 12.015 1.00 0.46 O ATOM 395 CB TYR A 29 0.195 -4.710 8.856 1.00 0.45 C ATOM 396 CG TYR A 29 -1.066 -4.086 9.539 1.00 0.98 C ATOM 397 CD1 TYR A 29 -1.064 -2.789 10.068 1.00 1.31 C ATOM 398 CD2 TYR A 29 -2.249 -4.823 9.678 1.00 1.34 C ATOM 399 CE1 TYR A 29 -2.193 -2.269 10.687 1.00 1.91 C ATOM 400 CE2 TYR A 29 -3.360 -4.307 10.293 1.00 1.91 C ATOM 401 CZ TYR A 29 -3.298 -2.907 10.730 1.00 2.21 C ATOM 402 OH TYR A 29 -4.451 -2.549 11.405 1.00 2.79 O ATOM 0 H TYR A 29 1.428 -6.920 9.675 1.00 0.33 H new ATOM 0 HA TYR A 29 2.227 -4.097 9.258 1.00 0.38 H new ATOM 0 HB2 TYR A 29 0.411 -4.129 7.959 1.00 0.45 H new ATOM 0 HB3 TYR A 29 -0.066 -5.716 8.529 1.00 0.45 H new ATOM 0 HD1 TYR A 29 -0.172 -2.185 9.993 1.00 1.31 H new ATOM 0 HD2 TYR A 29 -2.287 -5.830 9.288 1.00 1.34 H new ATOM 0 HE1 TYR A 29 -2.134 -1.294 11.147 1.00 1.91 H new ATOM 0 HE2 TYR A 29 -4.245 -4.906 10.450 1.00 1.91 H new ATOM 0 HH TYR A 29 -5.142 -2.294 10.759 1.00 2.79 H new ATOM 412 N ARG A 30 1.688 -3.107 11.490 1.00 0.54 N ATOM 413 CA ARG A 30 1.594 -2.519 12.848 1.00 0.63 C ATOM 414 C ARG A 30 0.334 -1.624 13.051 1.00 0.91 C ATOM 415 O ARG A 30 0.246 -0.505 12.538 1.00 1.87 O ATOM 416 CB ARG A 30 2.892 -1.724 13.170 1.00 0.72 C ATOM 417 CG ARG A 30 3.283 -0.682 12.095 1.00 0.68 C ATOM 418 CD ARG A 30 4.621 0.021 12.387 1.00 0.87 C ATOM 419 NE ARG A 30 4.599 0.759 13.651 1.00 1.70 N ATOM 420 CZ ARG A 30 5.670 1.337 14.188 1.00 2.08 C ATOM 421 NH1 ARG A 30 6.843 1.273 13.571 1.00 1.93 N ATOM 422 NH2 ARG A 30 5.569 1.979 15.344 1.00 3.00 N ATOM 0 H ARG A 30 2.047 -2.458 10.790 1.00 0.54 H new ATOM 0 HA ARG A 30 1.486 -3.349 13.546 1.00 0.63 H new ATOM 0 HB2 ARG A 30 2.764 -1.214 14.125 1.00 0.72 H new ATOM 0 HB3 ARG A 30 3.715 -2.428 13.293 1.00 0.72 H new ATOM 0 HG2 ARG A 30 3.344 -1.176 11.125 1.00 0.68 H new ATOM 0 HG3 ARG A 30 2.495 0.068 12.022 1.00 0.68 H new ATOM 0 HD2 ARG A 30 5.419 -0.721 12.416 1.00 0.87 H new ATOM 0 HD3 ARG A 30 4.853 0.707 11.573 1.00 0.87 H new ATOM 0 HE ARG A 30 3.712 0.834 14.148 1.00 1.70 H new ATOM 0 HH11 ARG A 30 6.925 0.780 12.682 1.00 1.93 H new ATOM 0 HH12 ARG A 30 7.662 1.717 13.986 1.00 1.93 H new ATOM 0 HH21 ARG A 30 4.669 2.030 15.822 1.00 3.00 H new ATOM 0 HH22 ARG A 30 6.391 2.422 15.755 1.00 3.00 H new ATOM 436 N LYS A 31 -0.642 -2.212 13.794 1.00 0.57 N ATOM 437 CA LYS A 31 -1.998 -1.646 14.212 1.00 0.59 C ATOM 438 C LYS A 31 -2.108 -0.145 14.567 1.00 0.64 C ATOM 439 O LYS A 31 -1.438 0.347 15.480 1.00 0.79 O ATOM 440 CB LYS A 31 -2.576 -2.405 15.447 1.00 0.73 C ATOM 441 CG LYS A 31 -1.595 -3.296 16.219 1.00 1.15 C ATOM 442 CD LYS A 31 -0.453 -2.508 16.901 1.00 1.44 C ATOM 443 CE LYS A 31 0.515 -3.432 17.661 1.00 1.70 C ATOM 444 NZ LYS A 31 -0.180 -4.203 18.729 1.00 2.30 N ATOM 0 H LYS A 31 -0.515 -3.159 14.152 1.00 0.57 H new ATOM 0 HA LYS A 31 -2.552 -1.787 13.284 1.00 0.59 H new ATOM 0 HB2 LYS A 31 -2.987 -1.670 16.139 1.00 0.73 H new ATOM 0 HB3 LYS A 31 -3.407 -3.024 15.109 1.00 0.73 H new ATOM 0 HG2 LYS A 31 -2.143 -3.855 16.977 1.00 1.15 H new ATOM 0 HG3 LYS A 31 -1.164 -4.026 15.534 1.00 1.15 H new ATOM 0 HD2 LYS A 31 0.099 -1.946 16.148 1.00 1.44 H new ATOM 0 HD3 LYS A 31 -0.878 -1.781 17.593 1.00 1.44 H new ATOM 0 HE2 LYS A 31 0.983 -4.123 16.960 1.00 1.70 H new ATOM 0 HE3 LYS A 31 1.314 -2.837 18.104 1.00 1.70 H new ATOM 0 HZ1 LYS A 31 0.525 -4.668 19.336 1.00 2.30 H new ATOM 0 HZ2 LYS A 31 -0.759 -3.557 19.303 1.00 2.30 H new ATOM 0 HZ3 LYS A 31 -0.792 -4.923 18.295 1.00 2.30 H new ATOM 458 N ASP A 32 -3.015 0.534 13.804 1.00 0.61 N ATOM 459 CA ASP A 32 -3.406 2.007 13.925 1.00 0.72 C ATOM 460 C ASP A 32 -2.256 3.030 14.242 1.00 0.75 C ATOM 461 O ASP A 32 -2.247 3.642 15.314 1.00 1.00 O ATOM 462 CB ASP A 32 -4.527 2.154 14.971 1.00 0.86 C ATOM 463 CG ASP A 32 -5.925 2.040 14.375 1.00 0.95 C ATOM 464 OD1 ASP A 32 -6.368 0.903 14.108 1.00 1.01 O ATOM 465 OD2 ASP A 32 -6.570 3.090 14.179 1.00 1.17 O ATOM 0 H ASP A 32 -3.524 0.068 13.053 1.00 0.61 H new ATOM 0 HA ASP A 32 -3.731 2.279 12.921 1.00 0.72 H new ATOM 0 HB2 ASP A 32 -4.402 1.389 15.737 1.00 0.86 H new ATOM 0 HB3 ASP A 32 -4.428 3.120 15.466 1.00 0.86 H new ATOM 470 N PRO A 33 -1.265 3.205 13.321 1.00 0.59 N ATOM 471 CA PRO A 33 -0.119 4.130 13.537 1.00 0.66 C ATOM 472 C PRO A 33 -0.274 5.614 13.071 1.00 0.83 C ATOM 473 O PRO A 33 0.604 6.426 13.379 1.00 1.45 O ATOM 474 CB PRO A 33 0.994 3.430 12.744 1.00 0.59 C ATOM 475 CG PRO A 33 0.281 2.809 11.569 1.00 0.57 C ATOM 476 CD PRO A 33 -1.120 2.437 12.060 1.00 0.49 C ATOM 0 HA PRO A 33 0.042 4.272 14.606 1.00 0.66 H new ATOM 0 HB2 PRO A 33 1.756 4.138 12.418 1.00 0.59 H new ATOM 0 HB3 PRO A 33 1.498 2.675 13.348 1.00 0.59 H new ATOM 0 HG2 PRO A 33 0.227 3.508 10.734 1.00 0.57 H new ATOM 0 HG3 PRO A 33 0.814 1.928 11.213 1.00 0.57 H new ATOM 0 HD2 PRO A 33 -1.885 2.711 11.334 1.00 0.49 H new ATOM 0 HD3 PRO A 33 -1.213 1.365 12.231 1.00 0.49 H new ATOM 484 N LEU A 34 -1.360 5.977 12.345 1.00 0.72 N ATOM 485 CA LEU A 34 -1.526 7.393 11.898 1.00 0.91 C ATOM 486 C LEU A 34 -2.982 7.959 11.983 1.00 1.43 C ATOM 487 O LEU A 34 -3.136 9.175 12.129 1.00 1.91 O ATOM 488 CB LEU A 34 -0.821 7.656 10.489 1.00 1.02 C ATOM 489 CG LEU A 34 -1.488 7.258 9.100 1.00 0.88 C ATOM 490 CD1 LEU A 34 -2.187 5.912 9.079 1.00 1.67 C ATOM 491 CD2 LEU A 34 -2.437 8.330 8.568 1.00 1.33 C ATOM 0 H LEU A 34 -2.108 5.344 12.063 1.00 0.72 H new ATOM 0 HA LEU A 34 -0.994 7.986 12.642 1.00 0.91 H new ATOM 0 HB2 LEU A 34 -0.617 8.726 10.440 1.00 1.02 H new ATOM 0 HB3 LEU A 34 0.143 7.149 10.526 1.00 1.02 H new ATOM 0 HG LEU A 34 -0.627 7.174 8.437 1.00 0.88 H new ATOM 0 HD11 LEU A 34 -2.607 5.736 8.089 1.00 1.67 H new ATOM 0 HD12 LEU A 34 -1.470 5.126 9.314 1.00 1.67 H new ATOM 0 HD13 LEU A 34 -2.987 5.906 9.819 1.00 1.67 H new ATOM 0 HD21 LEU A 34 -2.861 8.002 7.619 1.00 1.33 H new ATOM 0 HD22 LEU A 34 -3.240 8.494 9.287 1.00 1.33 H new ATOM 0 HD23 LEU A 34 -1.888 9.260 8.418 1.00 1.33 H new ATOM 503 N GLU A 35 -4.046 7.106 11.898 1.00 1.77 N ATOM 504 CA GLU A 35 -5.454 7.595 11.970 1.00 2.54 C ATOM 505 C GLU A 35 -6.066 7.415 13.377 1.00 2.66 C ATOM 506 O GLU A 35 -6.867 6.503 13.619 1.00 3.33 O ATOM 507 CB GLU A 35 -6.343 6.882 10.928 1.00 3.34 C ATOM 508 CG GLU A 35 -6.016 7.210 9.469 1.00 3.49 C ATOM 509 CD GLU A 35 -6.857 6.410 8.494 1.00 4.38 C ATOM 510 OE1 GLU A 35 -8.062 6.710 8.364 1.00 4.84 O ATOM 511 OE2 GLU A 35 -6.310 5.485 7.856 1.00 4.80 O ATOM 0 H GLU A 35 -3.957 6.097 11.782 1.00 1.77 H new ATOM 0 HA GLU A 35 -5.421 8.662 11.749 1.00 2.54 H new ATOM 0 HB2 GLU A 35 -6.254 5.805 11.072 1.00 3.34 H new ATOM 0 HB3 GLU A 35 -7.384 7.144 11.120 1.00 3.34 H new ATOM 0 HG2 GLU A 35 -6.176 8.274 9.294 1.00 3.49 H new ATOM 0 HG3 GLU A 35 -4.961 7.011 9.283 1.00 3.49 H new ATOM 518 N GLY A 36 -5.654 8.303 14.305 1.00 2.22 N ATOM 519 CA GLY A 36 -6.130 8.262 15.695 1.00 2.37 C ATOM 520 C GLY A 36 -5.109 7.699 16.705 1.00 1.99 C ATOM 521 O GLY A 36 -5.116 8.104 17.870 1.00 2.30 O ATOM 0 H GLY A 36 -4.993 9.055 14.113 1.00 2.22 H new ATOM 0 HA2 GLY A 36 -6.406 9.271 16.001 1.00 2.37 H new ATOM 0 HA3 GLY A 36 -7.036 7.657 15.738 1.00 2.37 H new ATOM 525 N ARG A 37 -4.217 6.758 16.227 1.00 1.73 N ATOM 526 CA ARG A 37 -3.129 6.044 17.005 1.00 2.21 C ATOM 527 C ARG A 37 -3.578 5.380 18.352 1.00 2.05 C ATOM 528 O ARG A 37 -3.023 5.647 19.423 1.00 2.64 O ATOM 529 CB ARG A 37 -1.831 6.912 17.180 1.00 3.16 C ATOM 530 CG ARG A 37 -2.034 8.386 17.629 1.00 3.40 C ATOM 531 CD ARG A 37 -2.066 9.370 16.441 1.00 3.20 C ATOM 532 NE ARG A 37 -2.447 10.716 16.858 1.00 3.69 N ATOM 533 CZ ARG A 37 -2.446 11.769 16.045 1.00 3.94 C ATOM 534 NH1 ARG A 37 -2.087 11.633 14.774 1.00 3.94 N ATOM 535 NH2 ARG A 37 -2.806 12.962 16.500 1.00 4.50 N ATOM 0 H ARG A 37 -4.237 6.464 15.250 1.00 1.73 H new ATOM 0 HA ARG A 37 -2.879 5.201 16.361 1.00 2.21 H new ATOM 0 HB2 ARG A 37 -1.188 6.419 17.909 1.00 3.16 H new ATOM 0 HB3 ARG A 37 -1.293 6.916 16.232 1.00 3.16 H new ATOM 0 HG2 ARG A 37 -2.967 8.466 18.188 1.00 3.40 H new ATOM 0 HG3 ARG A 37 -1.230 8.669 18.308 1.00 3.40 H new ATOM 0 HD2 ARG A 37 -1.084 9.401 15.969 1.00 3.20 H new ATOM 0 HD3 ARG A 37 -2.770 9.010 15.690 1.00 3.20 H new ATOM 0 HE ARG A 37 -2.730 10.857 17.828 1.00 3.69 H new ATOM 0 HH11 ARG A 37 -1.810 10.718 14.417 1.00 3.94 H new ATOM 0 HH12 ARG A 37 -2.088 12.443 14.154 1.00 3.94 H new ATOM 0 HH21 ARG A 37 -3.084 13.073 17.475 1.00 4.50 H new ATOM 0 HH22 ARG A 37 -2.804 13.768 15.875 1.00 4.50 H new ATOM 549 N VAL A 38 -4.601 4.509 18.237 1.00 1.67 N ATOM 550 CA VAL A 38 -5.207 3.755 19.382 1.00 1.61 C ATOM 551 C VAL A 38 -5.550 2.287 18.957 1.00 1.73 C ATOM 552 O VAL A 38 -5.319 1.887 17.812 1.00 2.44 O ATOM 553 CB VAL A 38 -6.501 4.440 20.065 1.00 2.08 C ATOM 554 CG1 VAL A 38 -6.101 5.339 21.252 1.00 2.70 C ATOM 555 CG2 VAL A 38 -7.423 5.260 19.106 1.00 2.63 C ATOM 0 H VAL A 38 -5.043 4.299 17.342 1.00 1.67 H new ATOM 0 HA VAL A 38 -4.434 3.768 20.151 1.00 1.61 H new ATOM 0 HB VAL A 38 -7.089 3.585 20.398 1.00 2.08 H new ATOM 0 HG11 VAL A 38 -6.995 5.784 21.689 1.00 2.70 H new ATOM 0 HG12 VAL A 38 -5.589 4.740 22.005 1.00 2.70 H new ATOM 0 HG13 VAL A 38 -5.436 6.129 20.902 1.00 2.70 H new ATOM 0 HG21 VAL A 38 -8.259 5.674 19.670 1.00 2.63 H new ATOM 0 HG22 VAL A 38 -6.851 6.072 18.657 1.00 2.63 H new ATOM 0 HG23 VAL A 38 -7.804 4.607 18.321 1.00 2.63 H new ATOM 565 N GLY A 39 -6.098 1.482 19.895 1.00 1.64 N ATOM 566 CA GLY A 39 -6.458 0.081 19.593 1.00 1.95 C ATOM 567 C GLY A 39 -7.928 -0.126 19.191 1.00 1.52 C ATOM 568 O GLY A 39 -8.756 -0.504 20.024 1.00 1.67 O ATOM 0 H GLY A 39 -6.298 1.773 20.852 1.00 1.64 H new ATOM 0 HA2 GLY A 39 -5.819 -0.279 18.786 1.00 1.95 H new ATOM 0 HA3 GLY A 39 -6.244 -0.533 20.468 1.00 1.95 H new ATOM 572 N ARG A 40 -8.233 0.128 17.898 1.00 1.49 N ATOM 573 CA ARG A 40 -9.598 -0.013 17.348 1.00 1.54 C ATOM 574 C ARG A 40 -9.592 -0.434 15.865 1.00 1.40 C ATOM 575 O ARG A 40 -8.857 0.121 15.042 1.00 1.40 O ATOM 576 CB ARG A 40 -10.383 1.311 17.479 1.00 2.19 C ATOM 577 CG ARG A 40 -11.050 1.543 18.853 1.00 2.54 C ATOM 578 CD ARG A 40 -11.792 2.888 18.928 1.00 3.29 C ATOM 579 NE ARG A 40 -12.444 3.075 20.222 1.00 3.83 N ATOM 580 CZ ARG A 40 -13.259 4.089 20.497 1.00 4.62 C ATOM 581 NH1 ARG A 40 -13.520 5.007 19.576 1.00 4.94 N ATOM 582 NH2 ARG A 40 -13.815 4.186 21.697 1.00 5.34 N ATOM 0 H ARG A 40 -7.544 0.434 17.211 1.00 1.49 H new ATOM 0 HA ARG A 40 -10.082 -0.797 17.931 1.00 1.54 H new ATOM 0 HB2 ARG A 40 -9.704 2.140 17.277 1.00 2.19 H new ATOM 0 HB3 ARG A 40 -11.154 1.336 16.709 1.00 2.19 H new ATOM 0 HG2 ARG A 40 -11.751 0.733 19.054 1.00 2.54 H new ATOM 0 HG3 ARG A 40 -10.290 1.507 19.633 1.00 2.54 H new ATOM 0 HD2 ARG A 40 -11.088 3.702 18.754 1.00 3.29 H new ATOM 0 HD3 ARG A 40 -12.538 2.937 18.135 1.00 3.29 H new ATOM 0 HE ARG A 40 -12.264 2.389 20.955 1.00 3.83 H new ATOM 0 HH11 ARG A 40 -13.095 4.937 18.651 1.00 4.94 H new ATOM 0 HH12 ARG A 40 -14.146 5.783 19.792 1.00 4.94 H new ATOM 0 HH21 ARG A 40 -13.617 3.483 22.409 1.00 5.34 H new ATOM 0 HH22 ARG A 40 -14.440 4.964 21.908 1.00 5.34 H new ATOM 596 N ALA A 41 -10.457 -1.425 15.538 1.00 1.35 N ATOM 597 CA ALA A 41 -10.622 -1.965 14.158 1.00 1.29 C ATOM 598 C ALA A 41 -11.980 -1.519 13.543 1.00 1.31 C ATOM 599 O ALA A 41 -13.043 -1.591 14.188 1.00 1.64 O ATOM 600 CB ALA A 41 -10.510 -3.514 14.174 1.00 1.35 C ATOM 0 H ALA A 41 -11.063 -1.876 16.223 1.00 1.35 H new ATOM 0 HA ALA A 41 -9.825 -1.562 13.533 1.00 1.29 H new ATOM 0 HB1 ALA A 41 -10.632 -3.898 13.161 1.00 1.35 H new ATOM 0 HB2 ALA A 41 -9.532 -3.804 14.557 1.00 1.35 H new ATOM 0 HB3 ALA A 41 -11.288 -3.928 14.815 1.00 1.35 H new ATOM 606 N SER A 42 -11.921 -1.032 12.289 1.00 1.13 N ATOM 607 CA SER A 42 -13.115 -0.569 11.563 1.00 1.15 C ATOM 608 C SER A 42 -13.373 -1.421 10.311 1.00 1.10 C ATOM 609 O SER A 42 -12.647 -1.332 9.318 1.00 1.57 O ATOM 610 CB SER A 42 -12.970 0.909 11.174 1.00 1.23 C ATOM 611 OG SER A 42 -13.254 1.763 12.271 1.00 1.43 O ATOM 0 H SER A 42 -11.054 -0.950 11.757 1.00 1.13 H new ATOM 0 HA SER A 42 -13.970 -0.678 12.230 1.00 1.15 H new ATOM 0 HB2 SER A 42 -11.957 1.096 10.818 1.00 1.23 H new ATOM 0 HB3 SER A 42 -13.644 1.138 10.349 1.00 1.23 H new ATOM 0 HG SER A 42 -13.152 2.697 11.993 1.00 1.43 H new ATOM 617 N ASP A 43 -14.416 -2.260 10.387 1.00 0.99 N ATOM 618 CA ASP A 43 -14.795 -3.149 9.279 1.00 0.98 C ATOM 619 C ASP A 43 -16.312 -3.126 9.030 1.00 1.13 C ATOM 620 O ASP A 43 -17.102 -3.634 9.836 1.00 1.62 O ATOM 621 CB ASP A 43 -14.324 -4.588 9.552 1.00 1.01 C ATOM 622 CG ASP A 43 -13.099 -4.968 8.740 1.00 1.65 C ATOM 623 OD1 ASP A 43 -13.257 -5.287 7.543 1.00 2.33 O ATOM 624 OD2 ASP A 43 -11.984 -4.940 9.303 1.00 1.80 O ATOM 0 H ASP A 43 -15.015 -2.342 11.209 1.00 0.99 H new ATOM 0 HA ASP A 43 -14.301 -2.780 8.380 1.00 0.98 H new ATOM 0 HB2 ASP A 43 -14.100 -4.697 10.613 1.00 1.01 H new ATOM 0 HB3 ASP A 43 -15.135 -5.280 9.325 1.00 1.01 H new ATOM 629 N TYR A 44 -16.697 -2.525 7.891 1.00 1.26 N ATOM 630 CA TYR A 44 -18.114 -2.426 7.461 1.00 1.48 C ATOM 631 C TYR A 44 -18.436 -3.404 6.301 1.00 1.68 C ATOM 632 O TYR A 44 -19.552 -3.923 6.216 1.00 2.40 O ATOM 633 CB TYR A 44 -18.445 -0.985 7.041 1.00 1.58 C ATOM 634 CG TYR A 44 -18.576 -0.007 8.218 1.00 1.67 C ATOM 635 CD1 TYR A 44 -19.801 0.193 8.864 1.00 1.93 C ATOM 636 CD2 TYR A 44 -17.472 0.719 8.681 1.00 2.02 C ATOM 637 CE1 TYR A 44 -19.915 1.077 9.925 1.00 2.32 C ATOM 638 CE2 TYR A 44 -17.588 1.601 9.743 1.00 2.50 C ATOM 639 CZ TYR A 44 -18.819 1.768 10.362 1.00 2.56 C ATOM 640 OH TYR A 44 -18.922 2.650 11.413 1.00 3.16 O ATOM 0 H TYR A 44 -16.041 -2.093 7.240 1.00 1.26 H new ATOM 0 HA TYR A 44 -18.734 -2.706 8.313 1.00 1.48 H new ATOM 0 HB2 TYR A 44 -17.667 -0.626 6.368 1.00 1.58 H new ATOM 0 HB3 TYR A 44 -19.378 -0.987 6.477 1.00 1.58 H new ATOM 0 HD1 TYR A 44 -20.672 -0.351 8.530 1.00 1.93 H new ATOM 0 HD2 TYR A 44 -16.513 0.589 8.202 1.00 2.02 H new ATOM 0 HE1 TYR A 44 -20.871 1.220 10.407 1.00 2.32 H new ATOM 0 HE2 TYR A 44 -16.727 2.155 10.087 1.00 2.50 H new ATOM 0 HH TYR A 44 -18.046 3.052 11.590 1.00 3.16 H new ATOM 650 N GLY A 45 -17.438 -3.640 5.417 1.00 1.41 N ATOM 651 CA GLY A 45 -17.576 -4.579 4.306 1.00 1.52 C ATOM 652 C GLY A 45 -16.636 -5.775 4.468 1.00 1.29 C ATOM 653 O GLY A 45 -15.607 -5.866 3.792 1.00 1.22 O ATOM 0 H GLY A 45 -16.527 -3.184 5.463 1.00 1.41 H new ATOM 0 HA2 GLY A 45 -18.607 -4.929 4.249 1.00 1.52 H new ATOM 0 HA3 GLY A 45 -17.360 -4.069 3.367 1.00 1.52 H new ATOM 657 N MET A 46 -17.015 -6.696 5.384 1.00 1.26 N ATOM 658 CA MET A 46 -16.225 -7.913 5.715 1.00 1.14 C ATOM 659 C MET A 46 -16.602 -9.169 4.885 1.00 1.13 C ATOM 660 O MET A 46 -15.803 -10.105 4.787 1.00 1.13 O ATOM 661 CB MET A 46 -16.415 -8.242 7.202 1.00 1.28 C ATOM 662 CG MET A 46 -15.120 -8.495 7.991 1.00 1.04 C ATOM 663 SD MET A 46 -14.114 -9.828 7.302 1.00 1.58 S ATOM 664 CE MET A 46 -12.684 -9.787 8.381 1.00 1.67 C ATOM 0 H MET A 46 -17.880 -6.619 5.918 1.00 1.26 H new ATOM 0 HA MET A 46 -15.190 -7.675 5.471 1.00 1.14 H new ATOM 0 HB2 MET A 46 -16.953 -7.419 7.673 1.00 1.28 H new ATOM 0 HB3 MET A 46 -17.049 -9.125 7.283 1.00 1.28 H new ATOM 0 HG2 MET A 46 -14.531 -7.578 8.013 1.00 1.04 H new ATOM 0 HG3 MET A 46 -15.373 -8.736 9.024 1.00 1.04 H new ATOM 0 HE1 MET A 46 -11.975 -10.557 8.075 1.00 1.67 H new ATOM 0 HE2 MET A 46 -12.207 -8.809 8.316 1.00 1.67 H new ATOM 0 HE3 MET A 46 -12.998 -9.970 9.409 1.00 1.67 H new ATOM 674 N LYS A 47 -17.809 -9.180 4.282 1.00 1.20 N ATOM 675 CA LYS A 47 -18.273 -10.319 3.469 1.00 1.24 C ATOM 676 C LYS A 47 -18.205 -10.035 1.929 1.00 1.33 C ATOM 677 O LYS A 47 -19.041 -10.503 1.149 1.00 1.68 O ATOM 678 CB LYS A 47 -19.690 -10.748 3.944 1.00 1.34 C ATOM 679 CG LYS A 47 -20.828 -9.711 3.705 1.00 2.03 C ATOM 680 CD LYS A 47 -21.011 -8.726 4.886 1.00 2.90 C ATOM 681 CE LYS A 47 -22.060 -7.643 4.591 1.00 3.65 C ATOM 682 NZ LYS A 47 -22.257 -6.739 5.757 1.00 4.18 N ATOM 0 H LYS A 47 -18.478 -8.413 4.344 1.00 1.20 H new ATOM 0 HA LYS A 47 -17.591 -11.155 3.624 1.00 1.24 H new ATOM 0 HB2 LYS A 47 -19.957 -11.675 3.437 1.00 1.34 H new ATOM 0 HB3 LYS A 47 -19.644 -10.969 5.010 1.00 1.34 H new ATOM 0 HG2 LYS A 47 -20.612 -9.146 2.799 1.00 2.03 H new ATOM 0 HG3 LYS A 47 -21.765 -10.242 3.534 1.00 2.03 H new ATOM 0 HD2 LYS A 47 -21.307 -9.282 5.776 1.00 2.90 H new ATOM 0 HD3 LYS A 47 -20.056 -8.251 5.110 1.00 2.90 H new ATOM 0 HE2 LYS A 47 -21.747 -7.059 3.726 1.00 3.65 H new ATOM 0 HE3 LYS A 47 -23.008 -8.115 4.331 1.00 3.65 H new ATOM 0 HZ1 LYS A 47 -22.972 -6.021 5.522 1.00 4.18 H new ATOM 0 HZ2 LYS A 47 -22.579 -7.294 6.576 1.00 4.18 H new ATOM 0 HZ3 LYS A 47 -21.358 -6.270 5.989 1.00 4.18 H new ATOM 696 N LEU A 48 -17.160 -9.270 1.538 1.00 1.18 N ATOM 697 CA LEU A 48 -16.847 -8.892 0.154 1.00 1.29 C ATOM 698 C LEU A 48 -15.329 -9.116 -0.043 1.00 1.00 C ATOM 699 O LEU A 48 -14.562 -8.147 -0.122 1.00 1.21 O ATOM 700 CB LEU A 48 -17.193 -7.393 -0.091 1.00 1.76 C ATOM 701 CG LEU A 48 -18.456 -7.026 -0.963 1.00 1.96 C ATOM 702 CD1 LEU A 48 -18.461 -7.703 -2.342 1.00 2.24 C ATOM 703 CD2 LEU A 48 -19.770 -7.324 -0.233 1.00 2.63 C ATOM 0 H LEU A 48 -16.491 -8.889 2.207 1.00 1.18 H new ATOM 0 HA LEU A 48 -17.429 -9.489 -0.548 1.00 1.29 H new ATOM 0 HB2 LEU A 48 -17.320 -6.922 0.884 1.00 1.76 H new ATOM 0 HB3 LEU A 48 -16.325 -6.928 -0.559 1.00 1.76 H new ATOM 0 HG LEU A 48 -18.381 -5.951 -1.126 1.00 1.96 H new ATOM 0 HD11 LEU A 48 -19.356 -7.408 -2.889 1.00 2.24 H new ATOM 0 HD12 LEU A 48 -17.577 -7.397 -2.901 1.00 2.24 H new ATOM 0 HD13 LEU A 48 -18.453 -8.786 -2.216 1.00 2.24 H new ATOM 0 HD21 LEU A 48 -20.611 -7.055 -0.873 1.00 2.63 H new ATOM 0 HD22 LEU A 48 -19.821 -8.386 0.006 1.00 2.63 H new ATOM 0 HD23 LEU A 48 -19.814 -6.743 0.688 1.00 2.63 H new ATOM 715 N PRO A 49 -14.855 -10.417 -0.108 1.00 0.82 N ATOM 716 CA PRO A 49 -13.394 -10.783 -0.229 1.00 0.89 C ATOM 717 C PRO A 49 -12.678 -10.426 -1.549 1.00 0.75 C ATOM 718 O PRO A 49 -13.313 -10.236 -2.591 1.00 0.78 O ATOM 719 CB PRO A 49 -13.404 -12.326 -0.104 1.00 1.31 C ATOM 720 CG PRO A 49 -14.717 -12.657 0.533 1.00 1.37 C ATOM 721 CD PRO A 49 -15.685 -11.650 -0.039 1.00 1.05 C ATOM 0 HA PRO A 49 -12.843 -10.217 0.522 1.00 0.89 H new ATOM 0 HB2 PRO A 49 -13.309 -12.801 -1.080 1.00 1.31 H new ATOM 0 HB3 PRO A 49 -12.571 -12.678 0.504 1.00 1.31 H new ATOM 0 HG2 PRO A 49 -15.024 -13.677 0.301 1.00 1.37 H new ATOM 0 HG3 PRO A 49 -14.661 -12.580 1.619 1.00 1.37 H new ATOM 0 HD2 PRO A 49 -16.051 -11.950 -1.021 1.00 1.05 H new ATOM 0 HD3 PRO A 49 -16.558 -11.517 0.599 1.00 1.05 H new ATOM 729 N ILE A 50 -11.321 -10.348 -1.462 1.00 0.67 N ATOM 730 CA ILE A 50 -10.432 -10.084 -2.599 1.00 0.60 C ATOM 731 C ILE A 50 -10.094 -11.468 -3.303 1.00 0.64 C ATOM 732 O ILE A 50 -9.609 -12.412 -2.663 1.00 0.69 O ATOM 733 CB ILE A 50 -9.184 -9.156 -2.065 1.00 0.57 C ATOM 734 CG1 ILE A 50 -9.410 -7.652 -2.421 1.00 0.54 C ATOM 735 CG2 ILE A 50 -7.772 -9.520 -2.598 1.00 0.59 C ATOM 736 CD1 ILE A 50 -10.623 -6.974 -1.800 1.00 0.59 C ATOM 0 H ILE A 50 -10.820 -10.470 -0.582 1.00 0.67 H new ATOM 0 HA ILE A 50 -10.877 -9.492 -3.398 1.00 0.60 H new ATOM 0 HB ILE A 50 -9.191 -9.352 -0.993 1.00 0.57 H new ATOM 0 HG12 ILE A 50 -8.521 -7.095 -2.124 1.00 0.54 H new ATOM 0 HG13 ILE A 50 -9.492 -7.568 -3.505 1.00 0.54 H new ATOM 0 HG21 ILE A 50 -7.036 -8.837 -2.174 1.00 0.59 H new ATOM 0 HG22 ILE A 50 -7.527 -10.542 -2.310 1.00 0.59 H new ATOM 0 HG23 ILE A 50 -7.761 -9.437 -3.685 1.00 0.59 H new ATOM 0 HD11 ILE A 50 -10.666 -5.935 -2.126 1.00 0.59 H new ATOM 0 HD12 ILE A 50 -11.530 -7.491 -2.115 1.00 0.59 H new ATOM 0 HD13 ILE A 50 -10.544 -7.011 -0.714 1.00 0.59 H new ATOM 748 N LEU A 51 -10.369 -11.535 -4.627 1.00 0.65 N ATOM 749 CA LEU A 51 -10.197 -12.773 -5.455 1.00 0.71 C ATOM 750 C LEU A 51 -8.757 -13.077 -5.964 1.00 0.78 C ATOM 751 O LEU A 51 -8.509 -14.183 -6.454 1.00 1.26 O ATOM 752 CB LEU A 51 -11.128 -12.699 -6.686 1.00 0.74 C ATOM 753 CG LEU A 51 -12.616 -13.140 -6.509 1.00 0.86 C ATOM 754 CD1 LEU A 51 -13.504 -11.987 -6.032 1.00 1.22 C ATOM 755 CD2 LEU A 51 -13.173 -13.705 -7.816 1.00 1.28 C ATOM 0 H LEU A 51 -10.717 -10.738 -5.160 1.00 0.65 H new ATOM 0 HA LEU A 51 -10.445 -13.585 -4.771 1.00 0.71 H new ATOM 0 HB2 LEU A 51 -11.125 -11.670 -7.045 1.00 0.74 H new ATOM 0 HB3 LEU A 51 -10.690 -13.312 -7.473 1.00 0.74 H new ATOM 0 HG LEU A 51 -12.626 -13.916 -5.744 1.00 0.86 H new ATOM 0 HD11 LEU A 51 -14.530 -12.339 -5.923 1.00 1.22 H new ATOM 0 HD12 LEU A 51 -13.141 -11.622 -5.071 1.00 1.22 H new ATOM 0 HD13 LEU A 51 -13.474 -11.178 -6.762 1.00 1.22 H new ATOM 0 HD21 LEU A 51 -14.210 -14.006 -7.670 1.00 1.28 H new ATOM 0 HD22 LEU A 51 -13.123 -12.942 -8.593 1.00 1.28 H new ATOM 0 HD23 LEU A 51 -12.584 -14.571 -8.119 1.00 1.28 H new ATOM 767 N ARG A 52 -7.817 -12.115 -5.846 1.00 0.58 N ATOM 768 CA ARG A 52 -6.419 -12.324 -6.290 1.00 0.58 C ATOM 769 C ARG A 52 -5.421 -12.605 -5.118 1.00 0.57 C ATOM 770 O ARG A 52 -4.203 -12.498 -5.304 1.00 0.65 O ATOM 771 CB ARG A 52 -5.943 -11.091 -7.094 1.00 0.57 C ATOM 772 CG ARG A 52 -5.530 -11.358 -8.567 1.00 0.70 C ATOM 773 CD ARG A 52 -6.728 -11.633 -9.494 1.00 0.64 C ATOM 774 NE ARG A 52 -6.298 -11.879 -10.868 1.00 0.87 N ATOM 775 CZ ARG A 52 -7.135 -12.134 -11.870 1.00 1.19 C ATOM 776 NH1 ARG A 52 -8.443 -12.173 -11.654 1.00 1.34 N ATOM 777 NH2 ARG A 52 -6.662 -12.350 -13.090 1.00 1.51 N ATOM 0 H ARG A 52 -7.997 -11.192 -5.450 1.00 0.58 H new ATOM 0 HA ARG A 52 -6.421 -13.218 -6.913 1.00 0.58 H new ATOM 0 HB2 ARG A 52 -6.741 -10.349 -7.090 1.00 0.57 H new ATOM 0 HB3 ARG A 52 -5.094 -10.648 -6.574 1.00 0.57 H new ATOM 0 HG2 ARG A 52 -4.978 -10.497 -8.944 1.00 0.70 H new ATOM 0 HG3 ARG A 52 -4.852 -12.211 -8.598 1.00 0.70 H new ATOM 0 HD2 ARG A 52 -7.283 -12.496 -9.126 1.00 0.64 H new ATOM 0 HD3 ARG A 52 -7.409 -10.782 -9.472 1.00 0.64 H new ATOM 0 HE ARG A 52 -5.299 -11.854 -11.071 1.00 0.87 H new ATOM 0 HH11 ARG A 52 -8.810 -12.007 -10.717 1.00 1.34 H new ATOM 0 HH12 ARG A 52 -9.082 -12.369 -12.425 1.00 1.34 H new ATOM 0 HH21 ARG A 52 -5.657 -12.321 -13.260 1.00 1.51 H new ATOM 0 HH22 ARG A 52 -7.304 -12.546 -13.858 1.00 1.51 H new ATOM 791 N SER A 53 -5.942 -12.978 -3.922 1.00 0.53 N ATOM 792 CA SER A 53 -5.102 -13.281 -2.755 1.00 0.54 C ATOM 793 C SER A 53 -5.588 -14.555 -1.977 1.00 0.57 C ATOM 794 O SER A 53 -6.367 -15.374 -2.485 1.00 0.67 O ATOM 795 CB SER A 53 -5.061 -12.043 -1.823 1.00 0.53 C ATOM 796 OG SER A 53 -3.840 -11.989 -1.100 1.00 1.09 O ATOM 0 H SER A 53 -6.943 -13.074 -3.749 1.00 0.53 H new ATOM 0 HA SER A 53 -4.097 -13.508 -3.111 1.00 0.54 H new ATOM 0 HB2 SER A 53 -5.178 -11.135 -2.414 1.00 0.53 H new ATOM 0 HB3 SER A 53 -5.899 -12.080 -1.126 1.00 0.53 H new ATOM 0 HG SER A 53 -3.136 -11.622 -1.674 1.00 1.09 H new ATOM 802 N ASN A 54 -5.082 -14.692 -0.730 1.00 0.59 N ATOM 803 CA ASN A 54 -5.390 -15.804 0.215 1.00 0.64 C ATOM 804 C ASN A 54 -6.533 -15.403 1.219 1.00 0.63 C ATOM 805 O ASN A 54 -7.083 -14.318 1.082 1.00 0.66 O ATOM 806 CB ASN A 54 -4.093 -16.052 1.012 1.00 0.80 C ATOM 807 CG ASN A 54 -3.560 -17.479 1.013 1.00 0.85 C ATOM 808 OD1 ASN A 54 -3.796 -18.262 0.090 1.00 1.27 O ATOM 809 ND2 ASN A 54 -2.824 -17.804 2.073 1.00 1.12 N ATOM 0 H ASN A 54 -4.428 -14.015 -0.336 1.00 0.59 H new ATOM 0 HA ASN A 54 -5.727 -16.685 -0.332 1.00 0.64 H new ATOM 0 HB2 ASN A 54 -3.317 -15.398 0.614 1.00 0.80 H new ATOM 0 HB3 ASN A 54 -4.264 -15.751 2.045 1.00 0.80 H new ATOM 0 HD21 ASN A 54 -2.425 -18.739 2.149 1.00 1.12 H new ATOM 0 HD22 ASN A 54 -2.659 -17.118 2.809 1.00 1.12 H new ATOM 816 N PRO A 55 -6.975 -16.286 2.205 1.00 0.71 N ATOM 817 CA PRO A 55 -7.988 -15.904 3.268 1.00 0.75 C ATOM 818 C PRO A 55 -7.394 -14.942 4.341 1.00 0.74 C ATOM 819 O PRO A 55 -7.958 -13.874 4.663 1.00 0.80 O ATOM 820 CB PRO A 55 -8.366 -17.256 3.920 1.00 0.89 C ATOM 821 CG PRO A 55 -7.893 -18.296 2.942 1.00 0.95 C ATOM 822 CD PRO A 55 -6.632 -17.720 2.330 1.00 0.83 C ATOM 0 HA PRO A 55 -8.835 -15.369 2.838 1.00 0.75 H new ATOM 0 HB2 PRO A 55 -7.884 -17.376 4.890 1.00 0.89 H new ATOM 0 HB3 PRO A 55 -9.441 -17.329 4.087 1.00 0.89 H new ATOM 0 HG2 PRO A 55 -7.691 -19.244 3.441 1.00 0.95 H new ATOM 0 HG3 PRO A 55 -8.647 -18.492 2.180 1.00 0.95 H new ATOM 0 HD2 PRO A 55 -5.761 -17.877 2.967 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -6.405 -18.171 1.364 1.00 0.83 H new ATOM 830 N GLU A 56 -6.176 -15.325 4.811 1.00 0.71 N ATOM 831 CA GLU A 56 -5.351 -14.567 5.811 1.00 0.73 C ATOM 832 C GLU A 56 -4.779 -13.246 5.206 1.00 0.65 C ATOM 833 O GLU A 56 -4.941 -12.130 5.761 1.00 0.67 O ATOM 834 CB GLU A 56 -4.187 -15.472 6.330 1.00 0.80 C ATOM 835 CG GLU A 56 -3.566 -16.424 5.295 1.00 0.97 C ATOM 836 CD GLU A 56 -2.401 -17.211 5.866 1.00 1.48 C ATOM 837 OE1 GLU A 56 -1.362 -16.592 6.176 1.00 1.63 O ATOM 838 OE2 GLU A 56 -2.527 -18.447 6.003 1.00 2.04 O ATOM 0 H GLU A 56 -5.725 -16.186 4.503 1.00 0.71 H new ATOM 0 HA GLU A 56 -5.999 -14.293 6.643 1.00 0.73 H new ATOM 0 HB2 GLU A 56 -3.399 -14.829 6.722 1.00 0.80 H new ATOM 0 HB3 GLU A 56 -4.559 -16.066 7.165 1.00 0.80 H new ATOM 0 HG2 GLU A 56 -4.328 -17.116 4.937 1.00 0.97 H new ATOM 0 HG3 GLU A 56 -3.226 -15.849 4.433 1.00 0.97 H new ATOM 845 N ASP A 57 -4.208 -13.378 3.983 1.00 0.62 N ATOM 846 CA ASP A 57 -3.674 -12.242 3.208 1.00 0.58 C ATOM 847 C ASP A 57 -4.828 -11.393 2.529 1.00 0.52 C ATOM 848 O ASP A 57 -4.583 -10.303 2.018 1.00 0.53 O ATOM 849 CB ASP A 57 -2.670 -12.773 2.185 1.00 0.60 C ATOM 850 CG ASP A 57 -1.346 -12.015 2.144 1.00 1.08 C ATOM 851 OD1 ASP A 57 -1.337 -10.809 2.462 1.00 1.62 O ATOM 852 OD2 ASP A 57 -0.324 -12.632 1.779 1.00 1.62 O ATOM 0 H ASP A 57 -4.107 -14.277 3.511 1.00 0.62 H new ATOM 0 HA ASP A 57 -3.163 -11.555 3.883 1.00 0.58 H new ATOM 0 HB2 ASP A 57 -2.467 -13.821 2.404 1.00 0.60 H new ATOM 0 HB3 ASP A 57 -3.125 -12.737 1.195 1.00 0.60 H new ATOM 857 N GLN A 58 -6.110 -11.927 2.591 1.00 0.52 N ATOM 858 CA GLN A 58 -7.368 -11.237 2.154 1.00 0.51 C ATOM 859 C GLN A 58 -7.672 -10.103 3.162 1.00 0.50 C ATOM 860 O GLN A 58 -7.998 -8.999 2.779 1.00 0.49 O ATOM 861 CB GLN A 58 -8.555 -12.230 2.149 1.00 0.60 C ATOM 862 CG GLN A 58 -9.924 -11.636 1.773 1.00 0.84 C ATOM 863 CD GLN A 58 -11.074 -12.399 2.402 1.00 0.91 C ATOM 864 OE1 GLN A 58 -10.936 -13.716 2.493 1.00 1.16 O flip ATOM 865 NE2 GLN A 58 -12.084 -11.811 2.789 1.00 1.77 N flip ATOM 0 H GLN A 58 -6.285 -12.864 2.954 1.00 0.52 H new ATOM 0 HA GLN A 58 -7.234 -10.842 1.147 1.00 0.51 H new ATOM 0 HB2 GLN A 58 -8.326 -13.037 1.452 1.00 0.60 H new ATOM 0 HB3 GLN A 58 -8.634 -12.677 3.140 1.00 0.60 H new ATOM 0 HG2 GLN A 58 -9.965 -10.594 2.090 1.00 0.84 H new ATOM 0 HG3 GLN A 58 -10.036 -11.644 0.689 1.00 0.84 H new ATOM 0 HE21 GLN A 58 -12.149 -10.797 2.700 1.00 1.77 H new ATOM 0 HE22 GLN A 58 -12.856 -12.338 3.198 1.00 1.77 H new ATOM 874 N VAL A 59 -7.487 -10.427 4.483 1.00 0.52 N ATOM 875 CA VAL A 59 -7.595 -9.442 5.640 1.00 0.54 C ATOM 876 C VAL A 59 -6.539 -8.283 5.445 1.00 0.52 C ATOM 877 O VAL A 59 -6.862 -7.118 5.638 1.00 0.55 O ATOM 878 CB VAL A 59 -7.394 -10.142 7.086 1.00 0.55 C ATOM 879 CG1 VAL A 59 -7.560 -9.186 8.305 1.00 0.80 C ATOM 880 CG2 VAL A 59 -8.373 -11.293 7.316 1.00 0.81 C ATOM 0 H VAL A 59 -7.259 -11.374 4.786 1.00 0.52 H new ATOM 0 HA VAL A 59 -8.607 -9.037 5.628 1.00 0.54 H new ATOM 0 HB VAL A 59 -6.362 -10.489 7.039 1.00 0.55 H new ATOM 0 HG11 VAL A 59 -7.408 -9.744 9.229 1.00 0.80 H new ATOM 0 HG12 VAL A 59 -6.825 -8.383 8.241 1.00 0.80 H new ATOM 0 HG13 VAL A 59 -8.564 -8.761 8.300 1.00 0.80 H new ATOM 0 HG21 VAL A 59 -8.197 -11.729 8.299 1.00 0.81 H new ATOM 0 HG22 VAL A 59 -9.395 -10.918 7.263 1.00 0.81 H new ATOM 0 HG23 VAL A 59 -8.226 -12.054 6.550 1.00 0.81 H new ATOM 890 N LEU A 60 -5.295 -8.642 5.032 1.00 0.49 N ATOM 891 CA LEU A 60 -4.243 -7.620 4.739 1.00 0.48 C ATOM 892 C LEU A 60 -4.377 -6.936 3.321 1.00 0.49 C ATOM 893 O LEU A 60 -3.652 -6.003 3.016 1.00 0.65 O ATOM 894 CB LEU A 60 -2.859 -8.270 4.877 1.00 0.52 C ATOM 895 CG LEU A 60 -1.626 -7.327 4.781 1.00 0.71 C ATOM 896 CD1 LEU A 60 -1.182 -6.830 6.147 1.00 1.15 C ATOM 897 CD2 LEU A 60 -0.447 -7.980 4.093 1.00 0.90 C ATOM 0 H LEU A 60 -4.996 -9.607 4.895 1.00 0.49 H new ATOM 0 HA LEU A 60 -4.378 -6.819 5.466 1.00 0.48 H new ATOM 0 HB2 LEU A 60 -2.820 -8.783 5.838 1.00 0.52 H new ATOM 0 HB3 LEU A 60 -2.764 -9.033 4.104 1.00 0.52 H new ATOM 0 HG LEU A 60 -1.957 -6.481 4.179 1.00 0.71 H new ATOM 0 HD11 LEU A 60 -0.318 -6.175 6.033 1.00 1.15 H new ATOM 0 HD12 LEU A 60 -1.997 -6.278 6.616 1.00 1.15 H new ATOM 0 HD13 LEU A 60 -0.912 -7.680 6.773 1.00 1.15 H new ATOM 0 HD21 LEU A 60 0.386 -7.278 4.053 1.00 0.90 H new ATOM 0 HD22 LEU A 60 -0.147 -8.868 4.650 1.00 0.90 H new ATOM 0 HD23 LEU A 60 -0.729 -8.266 3.080 1.00 0.90 H new ATOM 909 N TYR A 61 -5.272 -7.449 2.477 1.00 0.44 N ATOM 910 CA TYR A 61 -5.553 -6.895 1.125 1.00 0.45 C ATOM 911 C TYR A 61 -7.065 -6.558 0.894 1.00 0.47 C ATOM 912 O TYR A 61 -7.515 -6.475 -0.251 1.00 0.52 O ATOM 913 CB TYR A 61 -5.027 -7.873 0.046 1.00 0.44 C ATOM 914 CG TYR A 61 -3.476 -8.062 -0.011 1.00 0.46 C ATOM 915 CD1 TYR A 61 -2.569 -7.014 0.228 1.00 0.70 C ATOM 916 CD2 TYR A 61 -2.917 -9.308 -0.300 1.00 0.76 C ATOM 917 CE1 TYR A 61 -1.197 -7.214 0.183 1.00 0.72 C ATOM 918 CE2 TYR A 61 -1.546 -9.506 -0.344 1.00 0.92 C ATOM 919 CZ TYR A 61 -0.696 -8.458 -0.101 1.00 0.72 C ATOM 920 OH TYR A 61 0.665 -8.655 -0.146 1.00 0.88 O ATOM 0 H TYR A 61 -5.835 -8.269 2.702 1.00 0.44 H new ATOM 0 HA TYR A 61 -5.026 -5.944 1.047 1.00 0.45 H new ATOM 0 HB2 TYR A 61 -5.486 -8.848 0.213 1.00 0.44 H new ATOM 0 HB3 TYR A 61 -5.366 -7.524 -0.929 1.00 0.44 H new ATOM 0 HD1 TYR A 61 -2.950 -6.029 0.452 1.00 0.70 H new ATOM 0 HD2 TYR A 61 -3.573 -10.143 -0.495 1.00 0.76 H new ATOM 0 HE1 TYR A 61 -0.524 -6.390 0.372 1.00 0.72 H new ATOM 0 HE2 TYR A 61 -1.148 -10.484 -0.569 1.00 0.92 H new ATOM 0 HH TYR A 61 0.853 -9.593 -0.359 1.00 0.88 H new ATOM 930 N GLN A 62 -7.826 -6.341 1.995 1.00 0.50 N ATOM 931 CA GLN A 62 -9.312 -6.065 1.932 1.00 0.57 C ATOM 932 C GLN A 62 -9.841 -5.040 2.975 1.00 0.70 C ATOM 933 O GLN A 62 -10.744 -4.264 2.661 1.00 1.33 O ATOM 934 CB GLN A 62 -10.098 -7.399 2.125 1.00 0.57 C ATOM 935 CG GLN A 62 -11.648 -7.323 2.009 1.00 0.75 C ATOM 936 CD GLN A 62 -12.347 -7.666 3.318 1.00 0.77 C ATOM 937 OE1 GLN A 62 -12.580 -8.952 3.552 1.00 1.26 O flip ATOM 938 NE2 GLN A 62 -12.663 -6.783 4.115 1.00 1.02 N flip ATOM 0 H GLN A 62 -7.450 -6.349 2.943 1.00 0.50 H new ATOM 0 HA GLN A 62 -9.475 -5.621 0.950 1.00 0.57 H new ATOM 0 HB2 GLN A 62 -9.737 -8.116 1.388 1.00 0.57 H new ATOM 0 HB3 GLN A 62 -9.850 -7.800 3.108 1.00 0.57 H new ATOM 0 HG2 GLN A 62 -11.937 -6.319 1.698 1.00 0.75 H new ATOM 0 HG3 GLN A 62 -11.985 -8.007 1.230 1.00 0.75 H new ATOM 0 HE21 GLN A 62 -12.466 -5.806 3.898 1.00 1.02 H new ATOM 0 HE22 GLN A 62 -13.121 -7.028 4.993 1.00 1.02 H new ATOM 947 N THR A 63 -9.307 -5.076 4.214 1.00 0.58 N ATOM 948 CA THR A 63 -9.752 -4.180 5.376 1.00 0.62 C ATOM 949 C THR A 63 -9.411 -2.649 5.189 1.00 0.76 C ATOM 950 O THR A 63 -8.288 -2.305 4.813 1.00 1.28 O ATOM 951 CB THR A 63 -9.183 -4.695 6.770 1.00 0.59 C ATOM 952 OG1 THR A 63 -7.748 -4.763 6.768 1.00 0.63 O ATOM 953 CG2 THR A 63 -9.747 -6.074 7.179 1.00 0.60 C ATOM 0 H THR A 63 -8.554 -5.716 4.468 1.00 0.58 H new ATOM 0 HA THR A 63 -10.839 -4.257 5.376 1.00 0.62 H new ATOM 0 HB THR A 63 -9.513 -3.958 7.502 1.00 0.59 H new ATOM 0 HG1 THR A 63 -7.461 -5.601 6.349 1.00 0.63 H new ATOM 0 HG21 THR A 63 -9.322 -6.371 8.138 1.00 0.60 H new ATOM 0 HG22 THR A 63 -10.832 -6.012 7.267 1.00 0.60 H new ATOM 0 HG23 THR A 63 -9.486 -6.813 6.422 1.00 0.60 H new ATOM 961 N GLU A 64 -10.401 -1.752 5.473 1.00 0.57 N ATOM 962 CA GLU A 64 -10.236 -0.271 5.285 1.00 0.60 C ATOM 963 C GLU A 64 -10.488 0.590 6.546 1.00 0.64 C ATOM 964 O GLU A 64 -11.397 0.337 7.340 1.00 0.69 O ATOM 965 CB GLU A 64 -11.183 0.266 4.180 1.00 0.67 C ATOM 966 CG GLU A 64 -12.565 -0.406 4.117 1.00 0.84 C ATOM 967 CD GLU A 64 -13.463 0.217 3.065 1.00 1.07 C ATOM 968 OE1 GLU A 64 -14.186 1.179 3.397 1.00 1.50 O ATOM 969 OE2 GLU A 64 -13.443 -0.257 1.910 1.00 1.53 O ATOM 0 H GLU A 64 -11.317 -2.023 5.831 1.00 0.57 H new ATOM 0 HA GLU A 64 -9.185 -0.172 5.014 1.00 0.60 H new ATOM 0 HB2 GLU A 64 -11.324 1.336 4.333 1.00 0.67 H new ATOM 0 HB3 GLU A 64 -10.693 0.144 3.214 1.00 0.67 H new ATOM 0 HG2 GLU A 64 -12.441 -1.467 3.902 1.00 0.84 H new ATOM 0 HG3 GLU A 64 -13.047 -0.332 5.092 1.00 0.84 H new ATOM 976 N ARG A 65 -9.648 1.637 6.671 1.00 0.74 N ATOM 977 CA ARG A 65 -9.700 2.631 7.767 1.00 0.91 C ATOM 978 C ARG A 65 -9.829 4.061 7.195 1.00 1.19 C ATOM 979 O ARG A 65 -8.969 4.511 6.427 1.00 2.12 O ATOM 980 CB ARG A 65 -8.400 2.549 8.596 1.00 0.98 C ATOM 981 CG ARG A 65 -8.547 2.126 10.080 1.00 0.90 C ATOM 982 CD ARG A 65 -7.177 1.803 10.725 1.00 0.96 C ATOM 983 NE ARG A 65 -6.285 2.960 10.750 1.00 1.63 N ATOM 984 CZ ARG A 65 -4.956 2.875 10.704 1.00 2.39 C ATOM 985 NH1 ARG A 65 -4.351 1.698 10.589 1.00 2.86 N ATOM 986 NH2 ARG A 65 -4.227 3.973 10.773 1.00 3.22 N ATOM 0 H ARG A 65 -8.900 1.821 6.002 1.00 0.74 H new ATOM 0 HA ARG A 65 -10.565 2.412 8.392 1.00 0.91 H new ATOM 0 HB2 ARG A 65 -7.728 1.844 8.106 1.00 0.98 H new ATOM 0 HB3 ARG A 65 -7.915 3.525 8.567 1.00 0.98 H new ATOM 0 HG2 ARG A 65 -9.032 2.926 10.639 1.00 0.90 H new ATOM 0 HG3 ARG A 65 -9.195 1.252 10.146 1.00 0.90 H new ATOM 0 HD2 ARG A 65 -7.333 1.446 11.743 1.00 0.96 H new ATOM 0 HD3 ARG A 65 -6.701 0.993 10.173 1.00 0.96 H new ATOM 0 HE ARG A 65 -6.705 3.888 10.806 1.00 1.63 H new ATOM 0 HH11 ARG A 65 -4.905 0.843 10.535 1.00 2.86 H new ATOM 0 HH12 ARG A 65 -3.333 1.649 10.555 1.00 2.86 H new ATOM 0 HH21 ARG A 65 -4.681 4.882 10.861 1.00 3.22 H new ATOM 0 HH22 ARG A 65 -3.209 3.913 10.738 1.00 3.22 H new ATOM 1000 N TYR A 66 -10.905 4.773 7.577 1.00 0.77 N ATOM 1001 CA TYR A 66 -11.142 6.155 7.102 1.00 0.92 C ATOM 1002 C TYR A 66 -11.400 7.134 8.271 1.00 1.10 C ATOM 1003 O TYR A 66 -12.139 6.821 9.213 1.00 1.80 O ATOM 1004 CB TYR A 66 -12.296 6.199 6.056 1.00 1.58 C ATOM 1005 CG TYR A 66 -13.697 5.808 6.574 1.00 1.83 C ATOM 1006 CD1 TYR A 66 -13.984 4.489 6.941 1.00 2.35 C ATOM 1007 CD2 TYR A 66 -14.732 6.750 6.685 1.00 2.21 C ATOM 1008 CE1 TYR A 66 -15.241 4.126 7.397 1.00 2.90 C ATOM 1009 CE2 TYR A 66 -15.989 6.383 7.141 1.00 2.72 C ATOM 1010 CZ TYR A 66 -16.235 5.075 7.494 1.00 2.96 C ATOM 1011 OH TYR A 66 -17.482 4.713 7.948 1.00 3.66 O ATOM 0 H TYR A 66 -11.623 4.419 8.210 1.00 0.77 H new ATOM 0 HA TYR A 66 -10.230 6.487 6.607 1.00 0.92 H new ATOM 0 HB2 TYR A 66 -12.350 7.208 5.647 1.00 1.58 H new ATOM 0 HB3 TYR A 66 -12.037 5.535 5.231 1.00 1.58 H new ATOM 0 HD1 TYR A 66 -13.211 3.739 6.867 1.00 2.35 H new ATOM 0 HD2 TYR A 66 -14.546 7.778 6.411 1.00 2.21 H new ATOM 0 HE1 TYR A 66 -15.441 3.102 7.676 1.00 2.90 H new ATOM 0 HE2 TYR A 66 -16.773 7.121 7.219 1.00 2.72 H new ATOM 0 HH TYR A 66 -17.419 3.866 8.436 1.00 3.66 H new ATOM 1021 N ASN A 67 -10.788 8.333 8.183 1.00 1.30 N ATOM 1022 CA ASN A 67 -10.918 9.356 9.241 1.00 1.97 C ATOM 1023 C ASN A 67 -11.486 10.704 8.734 1.00 1.59 C ATOM 1024 O ASN A 67 -12.630 11.035 9.059 1.00 1.69 O ATOM 1025 CB ASN A 67 -9.563 9.583 9.944 1.00 3.06 C ATOM 1026 CG ASN A 67 -9.442 8.862 11.285 1.00 3.99 C ATOM 1027 OD1 ASN A 67 -8.839 9.380 12.226 1.00 4.39 O ATOM 1028 ND2 ASN A 67 -10.007 7.661 11.375 1.00 4.70 N ATOM 0 H ASN A 67 -10.203 8.615 7.396 1.00 1.30 H new ATOM 0 HA ASN A 67 -11.643 8.962 9.953 1.00 1.97 H new ATOM 0 HB2 ASN A 67 -8.761 9.247 9.287 1.00 3.06 H new ATOM 0 HB3 ASN A 67 -9.419 10.652 10.101 1.00 3.06 H new ATOM 0 HD21 ASN A 67 -9.950 7.134 12.247 1.00 4.70 H new ATOM 0 HD22 ASN A 67 -10.498 7.267 10.572 1.00 4.70 H new ATOM 1035 N GLU A 68 -10.702 11.478 7.944 1.00 1.31 N ATOM 1036 CA GLU A 68 -11.175 12.790 7.467 1.00 1.11 C ATOM 1037 C GLU A 68 -10.893 13.056 5.964 1.00 0.91 C ATOM 1038 O GLU A 68 -11.742 12.746 5.127 1.00 1.18 O ATOM 1039 CB GLU A 68 -10.586 13.917 8.362 1.00 1.42 C ATOM 1040 CG GLU A 68 -11.284 15.284 8.233 1.00 1.26 C ATOM 1041 CD GLU A 68 -10.659 16.342 9.124 1.00 1.99 C ATOM 1042 OE1 GLU A 68 -11.066 16.444 10.300 1.00 2.25 O ATOM 1043 OE2 GLU A 68 -9.764 17.069 8.644 1.00 2.55 O ATOM 0 H GLU A 68 -9.765 11.221 7.633 1.00 1.31 H new ATOM 0 HA GLU A 68 -12.262 12.783 7.552 1.00 1.11 H new ATOM 0 HB2 GLU A 68 -10.637 13.597 9.403 1.00 1.42 H new ATOM 0 HB3 GLU A 68 -9.531 14.040 8.117 1.00 1.42 H new ATOM 0 HG2 GLU A 68 -11.239 15.615 7.195 1.00 1.26 H new ATOM 0 HG3 GLU A 68 -12.338 15.176 8.488 1.00 1.26 H new ATOM 1050 N ASP A 69 -9.693 13.606 5.633 1.00 0.76 N ATOM 1051 CA ASP A 69 -9.319 13.998 4.245 1.00 0.75 C ATOM 1052 C ASP A 69 -7.843 14.434 4.209 1.00 0.69 C ATOM 1053 O ASP A 69 -7.444 15.341 4.952 1.00 1.33 O ATOM 1054 CB ASP A 69 -10.192 15.185 3.749 1.00 1.17 C ATOM 1055 CG ASP A 69 -11.232 14.823 2.684 1.00 1.63 C ATOM 1056 OD1 ASP A 69 -11.438 13.619 2.422 1.00 2.06 O ATOM 1057 OD2 ASP A 69 -11.843 15.755 2.119 1.00 2.15 O ATOM 0 H ASP A 69 -8.960 13.790 6.318 1.00 0.76 H new ATOM 0 HA ASP A 69 -9.480 13.136 3.597 1.00 0.75 H new ATOM 0 HB2 ASP A 69 -10.707 15.620 4.605 1.00 1.17 H new ATOM 0 HB3 ASP A 69 -9.535 15.956 3.347 1.00 1.17 H new ATOM 1062 N SER A 70 -7.026 13.787 3.318 1.00 0.72 N ATOM 1063 CA SER A 70 -5.550 14.056 3.148 1.00 0.57 C ATOM 1064 C SER A 70 -4.725 13.532 4.346 1.00 0.53 C ATOM 1065 O SER A 70 -4.419 14.278 5.284 1.00 0.57 O ATOM 1066 CB SER A 70 -5.262 15.558 2.895 1.00 0.70 C ATOM 1067 OG SER A 70 -4.156 15.741 2.023 1.00 0.77 O ATOM 0 H SER A 70 -7.371 13.059 2.692 1.00 0.72 H new ATOM 0 HA SER A 70 -5.234 13.504 2.263 1.00 0.57 H new ATOM 0 HB2 SER A 70 -6.146 16.031 2.466 1.00 0.70 H new ATOM 0 HB3 SER A 70 -5.063 16.055 3.844 1.00 0.70 H new ATOM 0 HG SER A 70 -4.004 16.699 1.884 1.00 0.77 H new ATOM 1073 N PHE A 71 -4.380 12.240 4.292 1.00 0.49 N ATOM 1074 CA PHE A 71 -3.621 11.605 5.382 1.00 0.47 C ATOM 1075 C PHE A 71 -2.480 10.718 4.855 1.00 0.33 C ATOM 1076 O PHE A 71 -2.593 10.049 3.809 1.00 0.39 O ATOM 1077 CB PHE A 71 -4.543 10.873 6.424 1.00 0.66 C ATOM 1078 CG PHE A 71 -5.861 10.253 5.932 1.00 0.54 C ATOM 1079 CD1 PHE A 71 -6.979 11.057 5.686 1.00 0.75 C ATOM 1080 CD2 PHE A 71 -6.008 8.869 5.785 1.00 0.73 C ATOM 1081 CE1 PHE A 71 -8.191 10.501 5.295 1.00 0.81 C ATOM 1082 CE2 PHE A 71 -7.225 8.317 5.405 1.00 0.78 C ATOM 1083 CZ PHE A 71 -8.311 9.133 5.158 1.00 0.67 C ATOM 0 H PHE A 71 -4.610 11.618 3.517 1.00 0.49 H new ATOM 0 HA PHE A 71 -3.145 12.413 5.938 1.00 0.47 H new ATOM 0 HB2 PHE A 71 -3.956 10.079 6.886 1.00 0.66 H new ATOM 0 HB3 PHE A 71 -4.786 11.588 7.210 1.00 0.66 H new ATOM 0 HD1 PHE A 71 -6.899 12.128 5.802 1.00 0.75 H new ATOM 0 HD2 PHE A 71 -5.164 8.221 5.969 1.00 0.73 H new ATOM 0 HE1 PHE A 71 -9.039 11.140 5.098 1.00 0.81 H new ATOM 0 HE2 PHE A 71 -7.322 7.246 5.302 1.00 0.78 H new ATOM 0 HZ PHE A 71 -9.254 8.701 4.858 1.00 0.67 H new ATOM 1093 N GLY A 72 -1.349 10.769 5.588 1.00 0.31 N ATOM 1094 CA GLY A 72 -0.153 10.033 5.194 1.00 0.41 C ATOM 1095 C GLY A 72 0.633 9.371 6.314 1.00 0.33 C ATOM 1096 O GLY A 72 0.373 9.560 7.506 1.00 0.47 O ATOM 0 H GLY A 72 -1.249 11.310 6.447 1.00 0.31 H new ATOM 0 HA2 GLY A 72 -0.446 9.263 4.480 1.00 0.41 H new ATOM 0 HA3 GLY A 72 0.512 10.718 4.669 1.00 0.41 H new ATOM 1100 N TYR A 73 1.670 8.639 5.888 1.00 0.28 N ATOM 1101 CA TYR A 73 2.537 7.872 6.791 1.00 0.24 C ATOM 1102 C TYR A 73 4.016 8.328 6.751 1.00 0.21 C ATOM 1103 O TYR A 73 4.475 8.974 5.791 1.00 0.27 O ATOM 1104 CB TYR A 73 2.501 6.369 6.444 1.00 0.36 C ATOM 1105 CG TYR A 73 1.168 5.796 5.919 1.00 0.33 C ATOM 1106 CD1 TYR A 73 0.704 6.124 4.645 1.00 0.47 C ATOM 1107 CD2 TYR A 73 0.395 4.907 6.677 1.00 0.48 C ATOM 1108 CE1 TYR A 73 -0.472 5.602 4.150 1.00 0.63 C ATOM 1109 CE2 TYR A 73 -0.784 4.379 6.176 1.00 0.62 C ATOM 1110 CZ TYR A 73 -1.211 4.730 4.916 1.00 0.68 C ATOM 1111 OH TYR A 73 -2.381 4.206 4.420 1.00 0.89 O ATOM 0 H TYR A 73 1.932 8.562 4.905 1.00 0.28 H new ATOM 0 HA TYR A 73 2.143 8.053 7.791 1.00 0.24 H new ATOM 0 HB2 TYR A 73 3.269 6.177 5.695 1.00 0.36 H new ATOM 0 HB3 TYR A 73 2.780 5.810 7.337 1.00 0.36 H new ATOM 0 HD1 TYR A 73 1.279 6.802 4.032 1.00 0.47 H new ATOM 0 HD2 TYR A 73 0.723 4.629 7.668 1.00 0.48 H new ATOM 0 HE1 TYR A 73 -0.813 5.877 3.163 1.00 0.63 H new ATOM 0 HE2 TYR A 73 -1.367 3.693 6.773 1.00 0.62 H new ATOM 0 HH TYR A 73 -2.240 3.905 3.498 1.00 0.89 H new ATOM 1121 N ASP A 74 4.762 7.910 7.797 1.00 0.17 N ATOM 1122 CA ASP A 74 6.194 8.250 7.965 1.00 0.16 C ATOM 1123 C ASP A 74 7.094 6.990 8.065 1.00 0.15 C ATOM 1124 O ASP A 74 6.836 6.084 8.866 1.00 0.24 O ATOM 1125 CB ASP A 74 6.387 9.102 9.238 1.00 0.21 C ATOM 1126 CG ASP A 74 6.186 10.600 9.020 1.00 0.26 C ATOM 1127 OD1 ASP A 74 5.247 10.974 8.287 1.00 0.51 O ATOM 1128 OD2 ASP A 74 6.964 11.394 9.591 1.00 0.40 O ATOM 0 H ASP A 74 4.390 7.328 8.548 1.00 0.17 H new ATOM 0 HA ASP A 74 6.493 8.810 7.079 1.00 0.16 H new ATOM 0 HB2 ASP A 74 5.688 8.760 10.001 1.00 0.21 H new ATOM 0 HB3 ASP A 74 7.391 8.933 9.627 1.00 0.21 H new ATOM 1133 N ILE A 75 8.164 6.967 7.243 1.00 0.10 N ATOM 1134 CA ILE A 75 9.151 5.861 7.216 1.00 0.09 C ATOM 1135 C ILE A 75 10.577 6.447 7.486 1.00 0.08 C ATOM 1136 O ILE A 75 11.166 7.029 6.580 1.00 0.12 O ATOM 1137 CB ILE A 75 9.144 5.062 5.828 1.00 0.11 C ATOM 1138 CG1 ILE A 75 7.721 4.641 5.400 1.00 0.13 C ATOM 1139 CG2 ILE A 75 10.005 3.764 5.855 1.00 0.14 C ATOM 1140 CD1 ILE A 75 7.106 5.460 4.286 1.00 0.15 C ATOM 0 H ILE A 75 8.370 7.713 6.579 1.00 0.10 H new ATOM 0 HA ILE A 75 8.874 5.147 7.992 1.00 0.09 H new ATOM 0 HB ILE A 75 9.570 5.772 5.119 1.00 0.11 H new ATOM 0 HG12 ILE A 75 7.749 3.597 5.087 1.00 0.13 H new ATOM 0 HG13 ILE A 75 7.068 4.696 6.271 1.00 0.13 H new ATOM 0 HG21 ILE A 75 9.955 3.274 4.883 1.00 0.14 H new ATOM 0 HG22 ILE A 75 11.041 4.019 6.080 1.00 0.14 H new ATOM 0 HG23 ILE A 75 9.623 3.090 6.622 1.00 0.14 H new ATOM 0 HD11 ILE A 75 6.108 5.081 4.064 1.00 0.15 H new ATOM 0 HD12 ILE A 75 7.037 6.503 4.596 1.00 0.15 H new ATOM 0 HD13 ILE A 75 7.729 5.387 3.394 1.00 0.15 H new ATOM 1152 N PRO A 76 11.146 6.328 8.727 1.00 0.09 N ATOM 1153 CA PRO A 76 12.510 6.824 9.015 1.00 0.10 C ATOM 1154 C PRO A 76 13.659 5.832 8.643 1.00 0.09 C ATOM 1155 O PRO A 76 13.720 4.713 9.161 1.00 0.11 O ATOM 1156 CB PRO A 76 12.449 7.094 10.519 1.00 0.14 C ATOM 1157 CG PRO A 76 11.532 6.019 11.051 1.00 0.15 C ATOM 1158 CD PRO A 76 10.508 5.766 9.948 1.00 0.12 C ATOM 0 HA PRO A 76 12.759 7.696 8.410 1.00 0.10 H new ATOM 0 HB2 PRO A 76 13.438 7.036 10.975 1.00 0.14 H new ATOM 0 HB3 PRO A 76 12.059 8.090 10.729 1.00 0.14 H new ATOM 0 HG2 PRO A 76 12.088 5.111 11.285 1.00 0.15 H new ATOM 0 HG3 PRO A 76 11.045 6.340 11.971 1.00 0.15 H new ATOM 0 HD2 PRO A 76 10.298 4.702 9.835 1.00 0.12 H new ATOM 0 HD3 PRO A 76 9.559 6.257 10.164 1.00 0.12 H new ATOM 1166 N ILE A 77 14.549 6.275 7.732 1.00 0.09 N ATOM 1167 CA ILE A 77 15.693 5.454 7.251 1.00 0.10 C ATOM 1168 C ILE A 77 17.053 6.213 7.428 1.00 0.13 C ATOM 1169 O ILE A 77 17.107 7.443 7.551 1.00 0.19 O ATOM 1170 CB ILE A 77 15.512 5.008 5.729 1.00 0.12 C ATOM 1171 CG1 ILE A 77 14.023 4.828 5.351 1.00 0.11 C ATOM 1172 CG2 ILE A 77 16.234 3.654 5.393 1.00 0.18 C ATOM 1173 CD1 ILE A 77 13.408 5.886 4.466 1.00 0.19 C ATOM 0 H ILE A 77 14.502 7.202 7.309 1.00 0.09 H new ATOM 0 HA ILE A 77 15.710 4.554 7.866 1.00 0.10 H new ATOM 0 HB ILE A 77 15.963 5.818 5.155 1.00 0.12 H new ATOM 0 HG12 ILE A 77 13.914 3.864 4.853 1.00 0.11 H new ATOM 0 HG13 ILE A 77 13.443 4.778 6.273 1.00 0.11 H new ATOM 0 HG21 ILE A 77 16.073 3.406 4.344 1.00 0.18 H new ATOM 0 HG22 ILE A 77 17.303 3.755 5.582 1.00 0.18 H new ATOM 0 HG23 ILE A 77 15.828 2.860 6.020 1.00 0.18 H new ATOM 0 HD11 ILE A 77 12.363 5.640 4.278 1.00 0.19 H new ATOM 0 HD12 ILE A 77 13.469 6.855 4.961 1.00 0.19 H new ATOM 0 HD13 ILE A 77 13.947 5.927 3.520 1.00 0.19 H new ATOM 1185 N LYS A 78 18.138 5.425 7.415 1.00 0.15 N ATOM 1186 CA LYS A 78 19.522 5.921 7.546 1.00 0.20 C ATOM 1187 C LYS A 78 20.533 5.033 6.762 1.00 0.21 C ATOM 1188 O LYS A 78 21.736 5.062 7.051 1.00 0.25 O ATOM 1189 CB LYS A 78 19.935 5.979 9.039 1.00 0.27 C ATOM 1190 CG LYS A 78 19.445 7.239 9.798 1.00 0.87 C ATOM 1191 CD LYS A 78 19.894 7.280 11.285 1.00 1.32 C ATOM 1192 CE LYS A 78 19.144 6.279 12.184 1.00 1.91 C ATOM 1193 NZ LYS A 78 19.453 6.503 13.622 1.00 2.53 N ATOM 0 H LYS A 78 18.082 4.412 7.312 1.00 0.15 H new ATOM 0 HA LYS A 78 19.547 6.923 7.118 1.00 0.20 H new ATOM 0 HB2 LYS A 78 19.548 5.094 9.544 1.00 0.27 H new ATOM 0 HB3 LYS A 78 21.022 5.933 9.103 1.00 0.27 H new ATOM 0 HG2 LYS A 78 19.818 8.128 9.289 1.00 0.87 H new ATOM 0 HG3 LYS A 78 18.357 7.280 9.754 1.00 0.87 H new ATOM 0 HD2 LYS A 78 20.963 7.074 11.339 1.00 1.32 H new ATOM 0 HD3 LYS A 78 19.744 8.287 11.673 1.00 1.32 H new ATOM 0 HE2 LYS A 78 18.070 6.376 12.022 1.00 1.91 H new ATOM 0 HE3 LYS A 78 19.418 5.261 11.906 1.00 1.91 H new ATOM 0 HZ1 LYS A 78 18.933 5.813 14.200 1.00 2.53 H new ATOM 0 HZ2 LYS A 78 20.474 6.387 13.780 1.00 2.53 H new ATOM 0 HZ3 LYS A 78 19.168 7.466 13.892 1.00 2.53 H new ATOM 1207 N GLU A 79 20.047 4.253 5.757 1.00 0.19 N ATOM 1208 CA GLU A 79 20.901 3.373 4.948 1.00 0.22 C ATOM 1209 C GLU A 79 20.655 3.581 3.439 1.00 0.20 C ATOM 1210 O GLU A 79 19.607 4.095 3.022 1.00 0.18 O ATOM 1211 CB GLU A 79 20.632 1.904 5.323 1.00 0.24 C ATOM 1212 CG GLU A 79 21.236 1.458 6.664 1.00 0.55 C ATOM 1213 CD GLU A 79 20.873 0.028 7.014 1.00 1.17 C ATOM 1214 OE1 GLU A 79 21.623 -0.890 6.619 1.00 1.03 O ATOM 1215 OE2 GLU A 79 19.837 -0.177 7.682 1.00 2.12 O ATOM 0 H GLU A 79 19.061 4.225 5.496 1.00 0.19 H new ATOM 0 HA GLU A 79 21.941 3.623 5.157 1.00 0.22 H new ATOM 0 HB2 GLU A 79 19.554 1.744 5.355 1.00 0.24 H new ATOM 0 HB3 GLU A 79 21.026 1.264 4.533 1.00 0.24 H new ATOM 0 HG2 GLU A 79 22.321 1.554 6.621 1.00 0.55 H new ATOM 0 HG3 GLU A 79 20.888 2.122 7.455 1.00 0.55 H new ATOM 1222 N GLU A 80 21.628 3.156 2.619 1.00 0.26 N ATOM 1223 CA GLU A 80 21.535 3.306 1.160 1.00 0.25 C ATOM 1224 C GLU A 80 21.567 1.965 0.403 1.00 0.27 C ATOM 1225 O GLU A 80 22.257 1.012 0.791 1.00 0.32 O ATOM 1226 CB GLU A 80 22.672 4.208 0.655 1.00 0.27 C ATOM 1227 CG GLU A 80 22.588 5.689 1.084 1.00 0.28 C ATOM 1228 CD GLU A 80 23.728 6.086 2.005 1.00 0.36 C ATOM 1229 OE1 GLU A 80 24.814 6.429 1.492 1.00 0.40 O ATOM 1230 OE2 GLU A 80 23.534 6.054 3.239 1.00 0.42 O ATOM 0 H GLU A 80 22.486 2.707 2.941 1.00 0.26 H new ATOM 0 HA GLU A 80 20.565 3.760 0.957 1.00 0.25 H new ATOM 0 HB2 GLU A 80 23.619 3.799 1.007 1.00 0.27 H new ATOM 0 HB3 GLU A 80 22.690 4.164 -0.434 1.00 0.27 H new ATOM 0 HG2 GLU A 80 22.602 6.323 0.198 1.00 0.28 H new ATOM 0 HG3 GLU A 80 21.638 5.866 1.588 1.00 0.28 H new ATOM 1237 N GLY A 81 20.813 1.937 -0.700 1.00 0.22 N ATOM 1238 CA GLY A 81 20.715 0.752 -1.554 1.00 0.23 C ATOM 1239 C GLY A 81 19.478 0.777 -2.448 1.00 0.19 C ATOM 1240 O GLY A 81 19.152 1.832 -3.018 1.00 0.18 O ATOM 0 H GLY A 81 20.258 2.729 -1.023 1.00 0.22 H new ATOM 0 HA2 GLY A 81 21.607 0.681 -2.176 1.00 0.23 H new ATOM 0 HA3 GLY A 81 20.690 -0.141 -0.929 1.00 0.23 H new ATOM 1244 N GLU A 82 18.774 -0.378 -2.606 1.00 0.20 N ATOM 1245 CA GLU A 82 17.557 -0.392 -3.433 1.00 0.17 C ATOM 1246 C GLU A 82 16.310 -0.691 -2.581 1.00 0.18 C ATOM 1247 O GLU A 82 16.064 -1.831 -2.206 1.00 0.30 O ATOM 1248 CB GLU A 82 17.681 -1.434 -4.559 1.00 0.19 C ATOM 1249 CG GLU A 82 18.837 -1.230 -5.563 1.00 0.26 C ATOM 1250 CD GLU A 82 18.779 0.098 -6.304 1.00 0.86 C ATOM 1251 OE1 GLU A 82 17.963 0.219 -7.242 1.00 0.78 O ATOM 1252 OE2 GLU A 82 19.547 1.015 -5.941 1.00 1.75 O ATOM 0 H GLU A 82 19.023 -1.273 -2.186 1.00 0.20 H new ATOM 0 HA GLU A 82 17.445 0.598 -3.874 1.00 0.17 H new ATOM 0 HB2 GLU A 82 17.795 -2.417 -4.103 1.00 0.19 H new ATOM 0 HB3 GLU A 82 16.744 -1.448 -5.116 1.00 0.19 H new ATOM 0 HG2 GLU A 82 19.785 -1.297 -5.030 1.00 0.26 H new ATOM 0 HG3 GLU A 82 18.822 -2.042 -6.290 1.00 0.26 H new ATOM 1259 N TYR A 83 15.493 0.344 -2.305 1.00 0.08 N ATOM 1260 CA TYR A 83 14.273 0.171 -1.484 1.00 0.08 C ATOM 1261 C TYR A 83 13.035 0.059 -2.368 1.00 0.08 C ATOM 1262 O TYR A 83 12.782 0.903 -3.220 1.00 0.12 O ATOM 1263 CB TYR A 83 14.107 1.304 -0.456 1.00 0.10 C ATOM 1264 CG TYR A 83 15.185 1.305 0.636 1.00 0.11 C ATOM 1265 CD1 TYR A 83 16.482 1.744 0.362 1.00 0.16 C ATOM 1266 CD2 TYR A 83 14.922 0.848 1.929 1.00 0.17 C ATOM 1267 CE1 TYR A 83 17.463 1.734 1.325 1.00 0.18 C ATOM 1268 CE2 TYR A 83 15.906 0.833 2.895 1.00 0.19 C ATOM 1269 CZ TYR A 83 17.170 1.278 2.590 1.00 0.16 C ATOM 1270 OH TYR A 83 18.148 1.251 3.550 1.00 0.21 O ATOM 0 H TYR A 83 15.650 1.297 -2.632 1.00 0.08 H new ATOM 0 HA TYR A 83 14.387 -0.759 -0.928 1.00 0.08 H new ATOM 0 HB2 TYR A 83 14.128 2.262 -0.976 1.00 0.10 H new ATOM 0 HB3 TYR A 83 13.127 1.217 0.013 1.00 0.10 H new ATOM 0 HD1 TYR A 83 16.720 2.100 -0.630 1.00 0.16 H new ATOM 0 HD2 TYR A 83 13.930 0.500 2.177 1.00 0.17 H new ATOM 0 HE1 TYR A 83 18.458 2.082 1.090 1.00 0.18 H new ATOM 0 HE2 TYR A 83 15.684 0.473 3.889 1.00 0.19 H new ATOM 0 HH TYR A 83 17.775 0.903 4.387 1.00 0.21 H new ATOM 1280 N VAL A 84 12.258 -1.003 -2.140 1.00 0.08 N ATOM 1281 CA VAL A 84 11.061 -1.285 -2.972 1.00 0.10 C ATOM 1282 C VAL A 84 9.765 -1.036 -2.173 1.00 0.10 C ATOM 1283 O VAL A 84 9.514 -1.648 -1.126 1.00 0.10 O ATOM 1284 CB VAL A 84 11.032 -2.759 -3.636 1.00 0.11 C ATOM 1285 CG1 VAL A 84 10.259 -2.790 -4.983 1.00 0.13 C ATOM 1286 CG2 VAL A 84 12.428 -3.359 -3.906 1.00 0.20 C ATOM 0 H VAL A 84 12.424 -1.682 -1.397 1.00 0.08 H new ATOM 0 HA VAL A 84 11.126 -0.586 -3.805 1.00 0.10 H new ATOM 0 HB VAL A 84 10.524 -3.360 -2.881 1.00 0.11 H new ATOM 0 HG11 VAL A 84 10.270 -3.803 -5.386 1.00 0.13 H new ATOM 0 HG12 VAL A 84 9.228 -2.476 -4.818 1.00 0.13 H new ATOM 0 HG13 VAL A 84 10.736 -2.113 -5.692 1.00 0.13 H new ATOM 0 HG21 VAL A 84 12.319 -4.348 -4.351 1.00 0.20 H new ATOM 0 HG22 VAL A 84 12.976 -2.711 -4.590 1.00 0.20 H new ATOM 0 HG23 VAL A 84 12.976 -3.442 -2.967 1.00 0.20 H new ATOM 1296 N LEU A 85 8.954 -0.124 -2.728 1.00 0.12 N ATOM 1297 CA LEU A 85 7.664 0.251 -2.154 1.00 0.15 C ATOM 1298 C LEU A 85 6.507 -0.432 -2.929 1.00 0.16 C ATOM 1299 O LEU A 85 6.202 -0.069 -4.070 1.00 0.21 O ATOM 1300 CB LEU A 85 7.515 1.786 -2.226 1.00 0.25 C ATOM 1301 CG LEU A 85 6.931 2.517 -0.984 1.00 0.43 C ATOM 1302 CD1 LEU A 85 7.403 3.965 -0.935 1.00 0.78 C ATOM 1303 CD2 LEU A 85 5.407 2.482 -0.969 1.00 0.61 C ATOM 0 H LEU A 85 9.179 0.373 -3.590 1.00 0.12 H new ATOM 0 HA LEU A 85 7.619 -0.078 -1.116 1.00 0.15 H new ATOM 0 HB2 LEU A 85 8.498 2.209 -2.432 1.00 0.25 H new ATOM 0 HB3 LEU A 85 6.882 2.021 -3.081 1.00 0.25 H new ATOM 0 HG LEU A 85 7.296 1.986 -0.105 1.00 0.43 H new ATOM 0 HD11 LEU A 85 6.981 4.456 -0.058 1.00 0.78 H new ATOM 0 HD12 LEU A 85 8.491 3.991 -0.878 1.00 0.78 H new ATOM 0 HD13 LEU A 85 7.074 4.485 -1.835 1.00 0.78 H new ATOM 0 HD21 LEU A 85 5.040 3.004 -0.085 1.00 0.61 H new ATOM 0 HD22 LEU A 85 5.023 2.971 -1.864 1.00 0.61 H new ATOM 0 HD23 LEU A 85 5.067 1.447 -0.947 1.00 0.61 H new ATOM 1315 N VAL A 86 5.885 -1.435 -2.289 1.00 0.17 N ATOM 1316 CA VAL A 86 4.753 -2.204 -2.893 1.00 0.21 C ATOM 1317 C VAL A 86 3.467 -1.953 -2.052 1.00 0.21 C ATOM 1318 O VAL A 86 3.452 -2.172 -0.835 1.00 0.27 O ATOM 1319 CB VAL A 86 5.001 -3.800 -3.022 1.00 0.25 C ATOM 1320 CG1 VAL A 86 4.149 -4.450 -4.150 1.00 0.44 C ATOM 1321 CG2 VAL A 86 6.476 -4.217 -3.268 1.00 0.32 C ATOM 0 H VAL A 86 6.138 -1.743 -1.350 1.00 0.17 H new ATOM 0 HA VAL A 86 4.654 -1.838 -3.915 1.00 0.21 H new ATOM 0 HB VAL A 86 4.697 -4.164 -2.041 1.00 0.25 H new ATOM 0 HG11 VAL A 86 4.355 -5.520 -4.191 1.00 0.44 H new ATOM 0 HG12 VAL A 86 3.090 -4.292 -3.943 1.00 0.44 H new ATOM 0 HG13 VAL A 86 4.404 -3.994 -5.107 1.00 0.44 H new ATOM 0 HG21 VAL A 86 6.540 -5.303 -3.340 1.00 0.32 H new ATOM 0 HG22 VAL A 86 6.830 -3.770 -4.197 1.00 0.32 H new ATOM 0 HG23 VAL A 86 7.095 -3.871 -2.440 1.00 0.32 H new ATOM 1331 N LEU A 87 2.398 -1.501 -2.726 1.00 0.20 N ATOM 1332 CA LEU A 87 1.113 -1.237 -2.040 1.00 0.22 C ATOM 1333 C LEU A 87 -0.095 -1.834 -2.787 1.00 0.22 C ATOM 1334 O LEU A 87 -0.156 -1.818 -4.031 1.00 0.26 O ATOM 1335 CB LEU A 87 0.865 0.295 -1.803 1.00 0.31 C ATOM 1336 CG LEU A 87 1.623 1.319 -2.709 1.00 0.50 C ATOM 1337 CD1 LEU A 87 1.028 1.415 -4.111 1.00 1.25 C ATOM 1338 CD2 LEU A 87 1.631 2.710 -2.078 1.00 0.88 C ATOM 0 H LEU A 87 2.391 -1.312 -3.728 1.00 0.20 H new ATOM 0 HA LEU A 87 1.203 -1.734 -1.074 1.00 0.22 H new ATOM 0 HB2 LEU A 87 -0.203 0.480 -1.915 1.00 0.31 H new ATOM 0 HB3 LEU A 87 1.120 0.516 -0.767 1.00 0.31 H new ATOM 0 HG LEU A 87 2.643 0.945 -2.796 1.00 0.50 H new ATOM 0 HD11 LEU A 87 1.593 2.140 -4.697 1.00 1.25 H new ATOM 0 HD12 LEU A 87 1.078 0.440 -4.595 1.00 1.25 H new ATOM 0 HD13 LEU A 87 -0.012 1.734 -4.044 1.00 1.25 H new ATOM 0 HD21 LEU A 87 2.165 3.402 -2.729 1.00 0.88 H new ATOM 0 HD22 LEU A 87 0.606 3.055 -1.945 1.00 0.88 H new ATOM 0 HD23 LEU A 87 2.128 2.667 -1.109 1.00 0.88 H new ATOM 1350 N LYS A 88 -1.068 -2.363 -2.003 1.00 0.23 N ATOM 1351 CA LYS A 88 -2.314 -2.926 -2.590 1.00 0.26 C ATOM 1352 C LYS A 88 -3.518 -2.002 -2.336 1.00 0.27 C ATOM 1353 O LYS A 88 -3.898 -1.743 -1.193 1.00 0.29 O ATOM 1354 CB LYS A 88 -2.642 -4.333 -2.030 1.00 0.31 C ATOM 1355 CG LYS A 88 -3.411 -5.282 -2.988 1.00 0.46 C ATOM 1356 CD LYS A 88 -2.487 -5.978 -4.028 1.00 1.53 C ATOM 1357 CE LYS A 88 -1.894 -7.308 -3.532 1.00 2.13 C ATOM 1358 NZ LYS A 88 -2.944 -8.323 -3.241 1.00 2.52 N ATOM 0 H LYS A 88 -1.019 -2.412 -0.985 1.00 0.23 H new ATOM 0 HA LYS A 88 -2.132 -3.008 -3.661 1.00 0.26 H new ATOM 0 HB2 LYS A 88 -1.708 -4.816 -1.744 1.00 0.31 H new ATOM 0 HB3 LYS A 88 -3.230 -4.213 -1.120 1.00 0.31 H new ATOM 0 HG2 LYS A 88 -3.925 -6.043 -2.401 1.00 0.46 H new ATOM 0 HG3 LYS A 88 -4.178 -4.714 -3.515 1.00 0.46 H new ATOM 0 HD2 LYS A 88 -3.054 -6.161 -4.941 1.00 1.53 H new ATOM 0 HD3 LYS A 88 -1.673 -5.302 -4.289 1.00 1.53 H new ATOM 0 HE2 LYS A 88 -1.211 -7.701 -4.285 1.00 2.13 H new ATOM 0 HE3 LYS A 88 -1.307 -7.128 -2.631 1.00 2.13 H new ATOM 0 HZ1 LYS A 88 -2.737 -8.786 -2.333 1.00 2.52 H new ATOM 0 HZ2 LYS A 88 -3.872 -7.857 -3.188 1.00 2.52 H new ATOM 0 HZ3 LYS A 88 -2.957 -9.036 -3.998 1.00 2.52 H new ATOM 1372 N PHE A 89 -4.123 -1.529 -3.434 1.00 0.27 N ATOM 1373 CA PHE A 89 -5.299 -0.647 -3.373 1.00 0.29 C ATOM 1374 C PHE A 89 -6.578 -1.416 -3.785 1.00 0.31 C ATOM 1375 O PHE A 89 -6.588 -2.146 -4.781 1.00 0.32 O ATOM 1376 CB PHE A 89 -5.108 0.553 -4.327 1.00 0.30 C ATOM 1377 CG PHE A 89 -4.364 1.764 -3.755 1.00 0.28 C ATOM 1378 CD1 PHE A 89 -4.860 2.430 -2.633 1.00 0.36 C ATOM 1379 CD2 PHE A 89 -3.185 2.258 -4.343 1.00 0.25 C ATOM 1380 CE1 PHE A 89 -4.218 3.540 -2.118 1.00 0.40 C ATOM 1381 CE2 PHE A 89 -2.546 3.362 -3.816 1.00 0.26 C ATOM 1382 CZ PHE A 89 -3.058 4.003 -2.714 1.00 0.31 C ATOM 0 H PHE A 89 -3.815 -1.744 -4.382 1.00 0.27 H new ATOM 0 HA PHE A 89 -5.406 -0.293 -2.348 1.00 0.29 H new ATOM 0 HB2 PHE A 89 -4.570 0.206 -5.209 1.00 0.30 H new ATOM 0 HB3 PHE A 89 -6.091 0.883 -4.663 1.00 0.30 H new ATOM 0 HD1 PHE A 89 -5.762 2.071 -2.159 1.00 0.36 H new ATOM 0 HD2 PHE A 89 -2.776 1.769 -5.215 1.00 0.25 H new ATOM 0 HE1 PHE A 89 -4.621 4.045 -1.252 1.00 0.40 H new ATOM 0 HE2 PHE A 89 -1.637 3.725 -4.273 1.00 0.26 H new ATOM 0 HZ PHE A 89 -2.554 4.870 -2.312 1.00 0.31 H new ATOM 1392 N ALA A 90 -7.665 -1.239 -3.001 1.00 0.33 N ATOM 1393 CA ALA A 90 -8.970 -1.931 -3.263 1.00 0.36 C ATOM 1394 C ALA A 90 -10.184 -0.966 -3.053 1.00 0.39 C ATOM 1395 O ALA A 90 -10.148 -0.055 -2.197 1.00 0.37 O ATOM 1396 CB ALA A 90 -9.124 -3.219 -2.385 1.00 0.41 C ATOM 0 H ALA A 90 -7.676 -0.629 -2.184 1.00 0.33 H new ATOM 0 HA ALA A 90 -8.965 -2.238 -4.309 1.00 0.36 H new ATOM 0 HB1 ALA A 90 -10.081 -3.694 -2.601 1.00 0.41 H new ATOM 0 HB2 ALA A 90 -8.315 -3.913 -2.612 1.00 0.41 H new ATOM 0 HB3 ALA A 90 -9.084 -2.947 -1.330 1.00 0.41 H new ATOM 1402 N GLU A 91 -11.255 -1.170 -3.865 1.00 0.46 N ATOM 1403 CA GLU A 91 -12.490 -0.357 -3.799 1.00 0.53 C ATOM 1404 C GLU A 91 -13.744 -1.253 -3.883 1.00 0.63 C ATOM 1405 O GLU A 91 -13.942 -1.967 -4.875 1.00 1.23 O ATOM 1406 CB GLU A 91 -12.514 0.664 -4.956 1.00 0.78 C ATOM 1407 CG GLU A 91 -13.382 1.910 -4.709 1.00 1.80 C ATOM 1408 CD GLU A 91 -13.589 2.734 -5.968 1.00 2.04 C ATOM 1409 OE1 GLU A 91 -14.293 2.256 -6.883 1.00 1.94 O ATOM 1410 OE2 GLU A 91 -13.048 3.857 -6.039 1.00 2.61 O ATOM 0 H GLU A 91 -11.283 -1.899 -4.578 1.00 0.46 H new ATOM 0 HA GLU A 91 -12.497 0.170 -2.845 1.00 0.53 H new ATOM 0 HB2 GLU A 91 -11.492 0.986 -5.157 1.00 0.78 H new ATOM 0 HB3 GLU A 91 -12.873 0.163 -5.855 1.00 0.78 H new ATOM 0 HG2 GLU A 91 -14.351 1.602 -4.317 1.00 1.80 H new ATOM 0 HG3 GLU A 91 -12.912 2.530 -3.946 1.00 1.80 H new ATOM 1417 N VAL A 92 -14.598 -1.197 -2.840 1.00 0.60 N ATOM 1418 CA VAL A 92 -15.845 -2.025 -2.794 1.00 0.76 C ATOM 1419 C VAL A 92 -17.077 -1.234 -2.257 1.00 0.66 C ATOM 1420 O VAL A 92 -17.487 -1.417 -1.104 1.00 1.19 O ATOM 1421 CB VAL A 92 -15.725 -3.426 -2.000 1.00 1.42 C ATOM 1422 CG1 VAL A 92 -15.393 -4.587 -2.957 1.00 2.13 C ATOM 1423 CG2 VAL A 92 -14.707 -3.455 -0.812 1.00 2.00 C ATOM 0 H VAL A 92 -14.460 -0.600 -2.025 1.00 0.60 H new ATOM 0 HA VAL A 92 -15.997 -2.276 -3.844 1.00 0.76 H new ATOM 0 HB VAL A 92 -16.714 -3.545 -1.558 1.00 1.42 H new ATOM 0 HG11 VAL A 92 -15.319 -5.515 -2.391 1.00 2.13 H new ATOM 0 HG12 VAL A 92 -16.181 -4.679 -3.704 1.00 2.13 H new ATOM 0 HG13 VAL A 92 -14.443 -4.389 -3.454 1.00 2.13 H new ATOM 0 HG21 VAL A 92 -14.711 -4.444 -0.354 1.00 2.00 H new ATOM 0 HG22 VAL A 92 -13.707 -3.231 -1.184 1.00 2.00 H new ATOM 0 HG23 VAL A 92 -14.993 -2.710 -0.070 1.00 2.00 H new ATOM 1433 N TYR A 93 -17.658 -0.355 -3.109 1.00 0.76 N ATOM 1434 CA TYR A 93 -18.863 0.439 -2.747 1.00 0.80 C ATOM 1435 C TYR A 93 -19.449 1.217 -3.948 1.00 0.86 C ATOM 1436 O TYR A 93 -20.647 1.106 -4.220 1.00 1.46 O ATOM 1437 CB TYR A 93 -18.592 1.422 -1.579 1.00 1.23 C ATOM 1438 CG TYR A 93 -19.686 1.413 -0.495 1.00 0.97 C ATOM 1439 CD1 TYR A 93 -19.684 0.450 0.521 1.00 1.14 C ATOM 1440 CD2 TYR A 93 -20.731 2.348 -0.495 1.00 1.01 C ATOM 1441 CE1 TYR A 93 -20.676 0.421 1.489 1.00 1.47 C ATOM 1442 CE2 TYR A 93 -21.718 2.320 0.477 1.00 1.43 C ATOM 1443 CZ TYR A 93 -21.685 1.356 1.461 1.00 1.67 C ATOM 1444 OH TYR A 93 -22.667 1.324 2.421 1.00 2.27 O ATOM 0 H TYR A 93 -17.313 -0.176 -4.052 1.00 0.76 H new ATOM 0 HA TYR A 93 -19.600 -0.295 -2.422 1.00 0.80 H new ATOM 0 HB2 TYR A 93 -17.636 1.171 -1.120 1.00 1.23 H new ATOM 0 HB3 TYR A 93 -18.498 2.431 -1.980 1.00 1.23 H new ATOM 0 HD1 TYR A 93 -18.894 -0.285 0.551 1.00 1.14 H new ATOM 0 HD2 TYR A 93 -20.767 3.103 -1.266 1.00 1.01 H new ATOM 0 HE1 TYR A 93 -20.657 -0.333 2.262 1.00 1.47 H new ATOM 0 HE2 TYR A 93 -22.512 3.052 0.463 1.00 1.43 H new ATOM 0 HH TYR A 93 -23.304 2.051 2.262 1.00 2.27 H new ATOM 1454 N PHE A 94 -18.608 2.004 -4.665 1.00 0.78 N ATOM 1455 CA PHE A 94 -19.067 2.806 -5.824 1.00 0.82 C ATOM 1456 C PHE A 94 -18.430 2.348 -7.152 1.00 0.76 C ATOM 1457 O PHE A 94 -17.247 1.987 -7.206 1.00 0.79 O ATOM 1458 CB PHE A 94 -18.747 4.300 -5.617 1.00 1.01 C ATOM 1459 CG PHE A 94 -19.379 4.923 -4.374 1.00 1.11 C ATOM 1460 CD1 PHE A 94 -20.746 5.190 -4.331 1.00 1.31 C ATOM 1461 CD2 PHE A 94 -18.608 5.246 -3.253 1.00 1.13 C ATOM 1462 CE1 PHE A 94 -21.327 5.758 -3.208 1.00 1.46 C ATOM 1463 CE2 PHE A 94 -19.188 5.814 -2.131 1.00 1.23 C ATOM 1464 CZ PHE A 94 -20.546 6.071 -2.109 1.00 1.37 C ATOM 0 H PHE A 94 -17.613 2.099 -4.461 1.00 0.78 H new ATOM 0 HA PHE A 94 -20.144 2.654 -5.888 1.00 0.82 H new ATOM 0 HB2 PHE A 94 -17.665 4.421 -5.557 1.00 1.01 H new ATOM 0 HB3 PHE A 94 -19.081 4.854 -6.494 1.00 1.01 H new ATOM 0 HD1 PHE A 94 -21.362 4.951 -5.185 1.00 1.31 H new ATOM 0 HD2 PHE A 94 -17.546 5.050 -3.262 1.00 1.13 H new ATOM 0 HE1 PHE A 94 -22.389 5.956 -3.191 1.00 1.46 H new ATOM 0 HE2 PHE A 94 -18.579 6.056 -1.273 1.00 1.23 H new ATOM 0 HZ PHE A 94 -20.997 6.516 -1.235 1.00 1.37 H new ATOM 1474 N ALA A 95 -19.242 2.392 -8.242 1.00 0.73 N ATOM 1475 CA ALA A 95 -18.792 1.994 -9.596 1.00 0.73 C ATOM 1476 C ALA A 95 -18.658 3.228 -10.545 1.00 0.72 C ATOM 1477 O ALA A 95 -19.647 3.798 -11.047 1.00 0.84 O ATOM 1478 CB ALA A 95 -19.727 0.901 -10.185 1.00 0.82 C ATOM 0 H ALA A 95 -20.213 2.701 -8.205 1.00 0.73 H new ATOM 0 HA ALA A 95 -17.795 1.562 -9.508 1.00 0.73 H new ATOM 0 HB1 ALA A 95 -19.379 0.622 -11.180 1.00 0.82 H new ATOM 0 HB2 ALA A 95 -19.715 0.024 -9.538 1.00 0.82 H new ATOM 0 HB3 ALA A 95 -20.744 1.289 -10.251 1.00 0.82 H new ATOM 1484 N GLN A 96 -17.396 3.665 -10.722 1.00 0.65 N ATOM 1485 CA GLN A 96 -17.041 4.816 -11.589 1.00 0.66 C ATOM 1486 C GLN A 96 -15.529 4.821 -11.914 1.00 0.58 C ATOM 1487 O GLN A 96 -14.700 4.379 -11.108 1.00 0.53 O ATOM 1488 CB GLN A 96 -17.466 6.170 -10.949 1.00 0.72 C ATOM 1489 CG GLN A 96 -17.025 6.371 -9.492 1.00 1.40 C ATOM 1490 CD GLN A 96 -17.634 7.618 -8.877 1.00 1.85 C ATOM 1491 OE1 GLN A 96 -17.073 8.708 -8.972 1.00 2.38 O ATOM 1492 NE2 GLN A 96 -18.793 7.461 -8.246 1.00 2.45 N ATOM 0 H GLN A 96 -16.590 3.233 -10.270 1.00 0.65 H new ATOM 0 HA GLN A 96 -17.594 4.700 -12.521 1.00 0.66 H new ATOM 0 HB2 GLN A 96 -17.058 6.982 -11.551 1.00 0.72 H new ATOM 0 HB3 GLN A 96 -18.552 6.252 -10.998 1.00 0.72 H new ATOM 0 HG2 GLN A 96 -17.312 5.500 -8.903 1.00 1.40 H new ATOM 0 HG3 GLN A 96 -15.938 6.440 -9.449 1.00 1.40 H new ATOM 0 HE21 GLN A 96 -19.223 6.538 -8.191 1.00 2.45 H new ATOM 0 HE22 GLN A 96 -19.253 8.264 -7.816 1.00 2.45 H new ATOM 1501 N SER A 97 -15.173 5.369 -13.095 1.00 0.64 N ATOM 1502 CA SER A 97 -13.767 5.397 -13.559 1.00 0.62 C ATOM 1503 C SER A 97 -13.142 6.809 -13.581 1.00 0.81 C ATOM 1504 O SER A 97 -12.345 7.135 -12.701 1.00 1.66 O ATOM 1505 CB SER A 97 -13.669 4.738 -14.942 1.00 0.68 C ATOM 1506 OG SER A 97 -13.702 3.322 -14.844 1.00 0.73 O ATOM 0 H SER A 97 -15.835 5.796 -13.743 1.00 0.64 H new ATOM 0 HA SER A 97 -13.185 4.833 -12.830 1.00 0.62 H new ATOM 0 HB2 SER A 97 -14.492 5.080 -15.569 1.00 0.68 H new ATOM 0 HB3 SER A 97 -12.746 5.049 -15.430 1.00 0.68 H new ATOM 0 HG SER A 97 -13.052 2.936 -15.467 1.00 0.73 H new ATOM 1512 N GLN A 98 -13.510 7.654 -14.578 1.00 0.55 N ATOM 1513 CA GLN A 98 -12.974 9.041 -14.688 1.00 0.54 C ATOM 1514 C GLN A 98 -13.925 10.066 -14.007 1.00 0.56 C ATOM 1515 O GLN A 98 -14.592 10.877 -14.659 1.00 0.67 O ATOM 1516 CB GLN A 98 -12.767 9.412 -16.175 1.00 0.62 C ATOM 1517 CG GLN A 98 -11.566 8.725 -16.857 1.00 1.06 C ATOM 1518 CD GLN A 98 -10.248 9.422 -16.563 1.00 1.14 C ATOM 1519 OE1 GLN A 98 -9.884 10.381 -17.407 1.00 1.89 O flip ATOM 1520 NE2 GLN A 98 -9.567 9.103 -15.590 1.00 1.60 N flip ATOM 0 H GLN A 98 -14.171 7.404 -15.314 1.00 0.55 H new ATOM 0 HA GLN A 98 -12.014 9.077 -14.172 1.00 0.54 H new ATOM 0 HB2 GLN A 98 -13.672 9.159 -16.727 1.00 0.62 H new ATOM 0 HB3 GLN A 98 -12.639 10.492 -16.250 1.00 0.62 H new ATOM 0 HG2 GLN A 98 -11.507 7.689 -16.523 1.00 1.06 H new ATOM 0 HG3 GLN A 98 -11.729 8.703 -17.935 1.00 1.06 H new ATOM 0 HE21 GLN A 98 -9.884 8.360 -14.967 1.00 1.60 H new ATOM 0 HE22 GLN A 98 -8.685 9.581 -15.406 1.00 1.60 H new ATOM 1529 N GLN A 99 -13.954 9.976 -12.672 1.00 0.53 N ATOM 1530 CA GLN A 99 -14.785 10.814 -11.788 1.00 0.58 C ATOM 1531 C GLN A 99 -14.148 10.858 -10.385 1.00 0.57 C ATOM 1532 O GLN A 99 -14.101 11.918 -9.756 1.00 0.62 O ATOM 1533 CB GLN A 99 -16.232 10.264 -11.701 1.00 0.61 C ATOM 1534 CG GLN A 99 -17.292 11.282 -11.229 1.00 1.18 C ATOM 1535 CD GLN A 99 -17.659 12.294 -12.303 1.00 1.71 C ATOM 1536 OE1 GLN A 99 -17.056 13.364 -12.395 1.00 2.56 O ATOM 1537 NE2 GLN A 99 -18.650 11.958 -13.122 1.00 2.02 N ATOM 0 H GLN A 99 -13.386 9.301 -12.159 1.00 0.53 H new ATOM 0 HA GLN A 99 -14.834 11.821 -12.201 1.00 0.58 H new ATOM 0 HB2 GLN A 99 -16.522 9.890 -12.683 1.00 0.61 H new ATOM 0 HB3 GLN A 99 -16.240 9.412 -11.021 1.00 0.61 H new ATOM 0 HG2 GLN A 99 -18.190 10.747 -10.919 1.00 1.18 H new ATOM 0 HG3 GLN A 99 -16.917 11.810 -10.352 1.00 1.18 H new ATOM 0 HE21 GLN A 99 -19.122 11.061 -13.010 1.00 2.02 H new ATOM 0 HE22 GLN A 99 -18.938 12.597 -13.863 1.00 2.02 H new ATOM 1546 N LYS A 100 -13.656 9.681 -9.902 1.00 0.53 N ATOM 1547 CA LYS A 100 -12.969 9.580 -8.607 1.00 0.55 C ATOM 1548 C LYS A 100 -11.474 9.309 -8.848 1.00 0.48 C ATOM 1549 O LYS A 100 -11.003 8.166 -8.805 1.00 0.49 O ATOM 1550 CB LYS A 100 -13.584 8.474 -7.724 1.00 0.64 C ATOM 1551 CG LYS A 100 -14.752 8.941 -6.828 1.00 1.11 C ATOM 1552 CD LYS A 100 -15.324 7.800 -5.960 1.00 1.52 C ATOM 1553 CE LYS A 100 -16.468 8.284 -5.052 1.00 2.14 C ATOM 1554 NZ LYS A 100 -16.019 9.357 -4.121 1.00 2.76 N ATOM 0 H LYS A 100 -13.729 8.795 -10.401 1.00 0.53 H new ATOM 0 HA LYS A 100 -13.090 10.523 -8.074 1.00 0.55 H new ATOM 0 HB2 LYS A 100 -13.937 7.668 -8.367 1.00 0.64 H new ATOM 0 HB3 LYS A 100 -12.802 8.057 -7.090 1.00 0.64 H new ATOM 0 HG2 LYS A 100 -14.409 9.748 -6.181 1.00 1.11 H new ATOM 0 HG3 LYS A 100 -15.545 9.349 -7.454 1.00 1.11 H new ATOM 0 HD2 LYS A 100 -15.687 7.001 -6.606 1.00 1.52 H new ATOM 0 HD3 LYS A 100 -14.528 7.377 -5.346 1.00 1.52 H new ATOM 0 HE2 LYS A 100 -17.288 8.656 -5.667 1.00 2.14 H new ATOM 0 HE3 LYS A 100 -16.857 7.443 -4.477 1.00 2.14 H new ATOM 0 HZ1 LYS A 100 -16.740 9.503 -3.386 1.00 2.76 H new ATOM 0 HZ2 LYS A 100 -15.122 9.077 -3.675 1.00 2.76 H new ATOM 0 HZ3 LYS A 100 -15.881 10.241 -4.651 1.00 2.76 H new ATOM 1568 N VAL A 101 -10.748 10.406 -9.113 1.00 0.45 N ATOM 1569 CA VAL A 101 -9.293 10.373 -9.406 1.00 0.40 C ATOM 1570 C VAL A 101 -8.488 10.991 -8.235 1.00 0.41 C ATOM 1571 O VAL A 101 -8.670 12.160 -7.874 1.00 0.47 O ATOM 1572 CB VAL A 101 -8.866 11.027 -10.810 1.00 0.38 C ATOM 1573 CG1 VAL A 101 -8.830 9.970 -11.930 1.00 0.69 C ATOM 1574 CG2 VAL A 101 -9.741 12.218 -11.301 1.00 0.68 C ATOM 0 H VAL A 101 -11.146 11.345 -9.132 1.00 0.45 H new ATOM 0 HA VAL A 101 -9.044 9.317 -9.507 1.00 0.40 H new ATOM 0 HB VAL A 101 -7.875 11.432 -10.602 1.00 0.38 H new ATOM 0 HG11 VAL A 101 -8.538 10.443 -12.868 1.00 0.69 H new ATOM 0 HG12 VAL A 101 -8.108 9.194 -11.675 1.00 0.69 H new ATOM 0 HG13 VAL A 101 -9.818 9.524 -12.041 1.00 0.69 H new ATOM 0 HG21 VAL A 101 -9.361 12.579 -12.257 1.00 0.68 H new ATOM 0 HG22 VAL A 101 -10.772 11.886 -11.423 1.00 0.68 H new ATOM 0 HG23 VAL A 101 -9.703 13.024 -10.568 1.00 0.68 H new ATOM 1584 N PHE A 102 -7.588 10.173 -7.672 1.00 0.39 N ATOM 1585 CA PHE A 102 -6.790 10.551 -6.484 1.00 0.40 C ATOM 1586 C PHE A 102 -5.295 10.855 -6.759 1.00 0.38 C ATOM 1587 O PHE A 102 -4.802 10.678 -7.868 1.00 0.41 O ATOM 1588 CB PHE A 102 -6.897 9.389 -5.489 1.00 0.42 C ATOM 1589 CG PHE A 102 -8.338 9.098 -5.055 1.00 0.49 C ATOM 1590 CD1 PHE A 102 -9.048 10.024 -4.297 1.00 0.60 C ATOM 1591 CD2 PHE A 102 -8.995 7.924 -5.444 1.00 0.60 C ATOM 1592 CE1 PHE A 102 -10.368 9.795 -3.939 1.00 0.67 C ATOM 1593 CE2 PHE A 102 -10.311 7.691 -5.079 1.00 0.70 C ATOM 1594 CZ PHE A 102 -10.998 8.627 -4.330 1.00 0.69 C ATOM 0 H PHE A 102 -7.389 9.235 -8.020 1.00 0.39 H new ATOM 0 HA PHE A 102 -7.198 11.488 -6.104 1.00 0.40 H new ATOM 0 HB2 PHE A 102 -6.472 8.492 -5.940 1.00 0.42 H new ATOM 0 HB3 PHE A 102 -6.298 9.617 -4.608 1.00 0.42 H new ATOM 0 HD1 PHE A 102 -8.563 10.936 -3.982 1.00 0.60 H new ATOM 0 HD2 PHE A 102 -8.469 7.190 -6.037 1.00 0.60 H new ATOM 0 HE1 PHE A 102 -10.904 10.528 -3.355 1.00 0.67 H new ATOM 0 HE2 PHE A 102 -10.800 6.777 -5.380 1.00 0.70 H new ATOM 0 HZ PHE A 102 -12.025 8.447 -4.050 1.00 0.69 H new ATOM 1604 N ASP A 103 -4.583 11.332 -5.713 1.00 0.36 N ATOM 1605 CA ASP A 103 -3.142 11.646 -5.825 1.00 0.34 C ATOM 1606 C ASP A 103 -2.318 10.880 -4.748 1.00 0.32 C ATOM 1607 O ASP A 103 -2.692 10.794 -3.577 1.00 0.34 O ATOM 1608 CB ASP A 103 -2.947 13.207 -5.834 1.00 0.37 C ATOM 1609 CG ASP A 103 -1.510 13.752 -5.910 1.00 0.85 C ATOM 1610 OD1 ASP A 103 -0.771 13.625 -4.911 1.00 1.33 O ATOM 1611 OD2 ASP A 103 -1.143 14.312 -6.964 1.00 1.30 O ATOM 0 H ASP A 103 -4.979 11.506 -4.790 1.00 0.36 H new ATOM 0 HA ASP A 103 -2.742 11.287 -6.773 1.00 0.34 H new ATOM 0 HB2 ASP A 103 -3.502 13.609 -6.682 1.00 0.37 H new ATOM 0 HB3 ASP A 103 -3.409 13.607 -4.932 1.00 0.37 H new ATOM 1616 N VAL A 104 -1.173 10.342 -5.210 1.00 0.29 N ATOM 1617 CA VAL A 104 -0.247 9.537 -4.386 1.00 0.28 C ATOM 1618 C VAL A 104 1.215 10.105 -4.531 1.00 0.26 C ATOM 1619 O VAL A 104 1.770 10.166 -5.654 1.00 0.25 O ATOM 1620 CB VAL A 104 -0.462 7.970 -4.759 1.00 0.33 C ATOM 1621 CG1 VAL A 104 0.771 7.042 -4.648 1.00 0.31 C ATOM 1622 CG2 VAL A 104 -1.554 7.350 -3.865 1.00 0.48 C ATOM 0 H VAL A 104 -0.861 10.454 -6.175 1.00 0.29 H new ATOM 0 HA VAL A 104 -0.453 9.609 -3.318 1.00 0.28 H new ATOM 0 HB VAL A 104 -0.727 8.015 -5.815 1.00 0.33 H new ATOM 0 HG11 VAL A 104 0.488 6.026 -4.925 1.00 0.31 H new ATOM 0 HG12 VAL A 104 1.554 7.396 -5.318 1.00 0.31 H new ATOM 0 HG13 VAL A 104 1.141 7.049 -3.623 1.00 0.31 H new ATOM 0 HG21 VAL A 104 -1.686 6.300 -4.127 1.00 0.48 H new ATOM 0 HG22 VAL A 104 -1.256 7.428 -2.819 1.00 0.48 H new ATOM 0 HG23 VAL A 104 -2.493 7.883 -4.015 1.00 0.48 H new ATOM 1632 N ARG A 105 1.818 10.432 -3.352 1.00 0.26 N ATOM 1633 CA ARG A 105 3.168 11.044 -3.262 1.00 0.26 C ATOM 1634 C ARG A 105 4.219 10.220 -2.481 1.00 0.23 C ATOM 1635 O ARG A 105 3.909 9.595 -1.458 1.00 0.26 O ATOM 1636 CB ARG A 105 3.098 12.412 -2.543 1.00 0.33 C ATOM 1637 CG ARG A 105 1.904 13.320 -2.905 1.00 0.53 C ATOM 1638 CD ARG A 105 2.076 14.745 -2.351 1.00 0.51 C ATOM 1639 NE ARG A 105 0.856 15.532 -2.465 1.00 0.92 N ATOM 1640 CZ ARG A 105 0.813 16.853 -2.292 1.00 1.25 C ATOM 1641 NH1 ARG A 105 1.916 17.521 -1.978 1.00 1.15 N ATOM 1642 NH2 ARG A 105 -0.333 17.508 -2.425 1.00 1.69 N ATOM 0 H ARG A 105 1.380 10.278 -2.444 1.00 0.26 H new ATOM 0 HA ARG A 105 3.483 11.113 -4.303 1.00 0.26 H new ATOM 0 HB2 ARG A 105 3.076 12.232 -1.468 1.00 0.33 H new ATOM 0 HB3 ARG A 105 4.018 12.957 -2.756 1.00 0.33 H new ATOM 0 HG2 ARG A 105 1.796 13.363 -3.989 1.00 0.53 H new ATOM 0 HG3 ARG A 105 0.985 12.886 -2.510 1.00 0.53 H new ATOM 0 HD2 ARG A 105 2.375 14.692 -1.304 1.00 0.51 H new ATOM 0 HD3 ARG A 105 2.881 15.247 -2.888 1.00 0.51 H new ATOM 0 HE ARG A 105 -0.012 15.046 -2.689 1.00 0.92 H new ATOM 0 HH11 ARG A 105 2.800 17.024 -1.868 1.00 1.15 H new ATOM 0 HH12 ARG A 105 1.880 18.532 -1.846 1.00 1.15 H new ATOM 0 HH21 ARG A 105 -1.186 17.001 -2.661 1.00 1.69 H new ATOM 0 HH22 ARG A 105 -0.361 18.519 -2.292 1.00 1.69 H new ATOM 1656 N VAL A 106 5.488 10.269 -2.980 1.00 0.23 N ATOM 1657 CA VAL A 106 6.654 9.599 -2.314 1.00 0.23 C ATOM 1658 C VAL A 106 7.789 10.625 -1.926 1.00 0.22 C ATOM 1659 O VAL A 106 8.566 11.068 -2.776 1.00 0.23 O ATOM 1660 CB VAL A 106 7.269 8.337 -3.104 1.00 0.29 C ATOM 1661 CG1 VAL A 106 6.361 7.098 -2.991 1.00 0.57 C ATOM 1662 CG2 VAL A 106 7.579 8.577 -4.609 1.00 0.60 C ATOM 0 H VAL A 106 5.733 10.763 -3.838 1.00 0.23 H new ATOM 0 HA VAL A 106 6.225 9.184 -1.402 1.00 0.23 H new ATOM 0 HB VAL A 106 8.224 8.172 -2.604 1.00 0.29 H new ATOM 0 HG11 VAL A 106 6.809 6.268 -3.536 1.00 0.57 H new ATOM 0 HG12 VAL A 106 6.248 6.824 -1.942 1.00 0.57 H new ATOM 0 HG13 VAL A 106 5.382 7.324 -3.414 1.00 0.57 H new ATOM 0 HG21 VAL A 106 7.989 7.666 -5.046 1.00 0.60 H new ATOM 0 HG22 VAL A 106 6.661 8.849 -5.131 1.00 0.60 H new ATOM 0 HG23 VAL A 106 8.305 9.384 -4.707 1.00 0.60 H new ATOM 1672 N ASN A 107 7.834 11.011 -0.610 1.00 0.23 N ATOM 1673 CA ASN A 107 8.820 11.986 0.013 1.00 0.23 C ATOM 1674 C ASN A 107 8.706 13.450 -0.515 1.00 0.24 C ATOM 1675 O ASN A 107 9.688 14.205 -0.530 1.00 0.25 O ATOM 1676 CB ASN A 107 10.269 11.481 -0.135 1.00 0.23 C ATOM 1677 CG ASN A 107 11.125 11.718 1.100 1.00 0.27 C ATOM 1678 OD1 ASN A 107 10.614 11.874 2.203 1.00 1.05 O ATOM 1679 ND2 ASN A 107 12.425 11.792 0.889 1.00 1.12 N ATOM 0 H ASN A 107 7.170 10.647 0.074 1.00 0.23 H new ATOM 0 HA ASN A 107 8.547 12.024 1.068 1.00 0.23 H new ATOM 0 HB2 ASN A 107 10.252 10.414 -0.356 1.00 0.23 H new ATOM 0 HB3 ASN A 107 10.732 11.976 -0.988 1.00 0.23 H new ATOM 0 HD21 ASN A 107 13.057 11.987 1.665 1.00 1.12 H new ATOM 0 HD22 ASN A 107 12.798 11.654 -0.050 1.00 1.12 H new ATOM 1686 N GLY A 108 7.501 13.823 -0.931 1.00 0.25 N ATOM 1687 CA GLY A 108 7.263 15.139 -1.490 1.00 0.29 C ATOM 1688 C GLY A 108 7.008 15.127 -3.018 1.00 0.29 C ATOM 1689 O GLY A 108 6.461 16.082 -3.576 1.00 0.32 O ATOM 0 H GLY A 108 6.674 13.227 -0.889 1.00 0.25 H new ATOM 0 HA2 GLY A 108 6.404 15.587 -0.990 1.00 0.29 H new ATOM 0 HA3 GLY A 108 8.122 15.775 -1.278 1.00 0.29 H new ATOM 1693 N HIS A 109 7.425 14.010 -3.671 1.00 0.27 N ATOM 1694 CA HIS A 109 7.303 13.753 -5.119 1.00 0.28 C ATOM 1695 C HIS A 109 5.936 13.126 -5.515 1.00 0.30 C ATOM 1696 O HIS A 109 5.229 12.610 -4.663 1.00 0.57 O ATOM 1697 CB HIS A 109 8.395 12.725 -5.463 1.00 0.29 C ATOM 1698 CG HIS A 109 9.816 13.204 -5.320 1.00 0.31 C ATOM 1699 ND1 HIS A 109 10.469 13.913 -6.302 1.00 0.43 N ATOM 1700 CD2 HIS A 109 10.720 13.036 -4.312 1.00 0.27 C ATOM 1701 CE1 HIS A 109 11.707 14.161 -5.915 1.00 0.46 C ATOM 1702 NE2 HIS A 109 11.883 13.644 -4.714 1.00 0.36 N ATOM 0 H HIS A 109 7.872 13.237 -3.178 1.00 0.27 H new ATOM 0 HA HIS A 109 7.394 14.700 -5.650 1.00 0.28 H new ATOM 0 HB2 HIS A 109 8.260 11.852 -4.824 1.00 0.29 H new ATOM 0 HB3 HIS A 109 8.245 12.394 -6.491 1.00 0.29 H new ATOM 0 HD1 HIS A 109 10.060 14.202 -7.191 1.00 0.43 H new ATOM 0 HD2 HIS A 109 10.552 12.523 -3.377 1.00 0.27 H new ATOM 0 HE1 HIS A 109 12.451 14.697 -6.486 1.00 0.46 H new ATOM 1711 N THR A 110 5.548 13.186 -6.808 1.00 0.31 N ATOM 1712 CA THR A 110 4.291 12.514 -7.250 1.00 0.32 C ATOM 1713 C THR A 110 4.575 11.444 -8.287 1.00 0.35 C ATOM 1714 O THR A 110 5.251 11.670 -9.299 1.00 0.47 O ATOM 1715 CB THR A 110 3.117 13.408 -7.781 1.00 0.43 C ATOM 1716 OG1 THR A 110 3.589 14.523 -8.557 1.00 0.55 O ATOM 1717 CG2 THR A 110 2.229 13.903 -6.649 1.00 0.47 C ATOM 0 H THR A 110 6.060 13.672 -7.545 1.00 0.31 H new ATOM 0 HA THR A 110 3.926 12.105 -6.308 1.00 0.32 H new ATOM 0 HB THR A 110 2.523 12.769 -8.435 1.00 0.43 H new ATOM 0 HG1 THR A 110 4.309 14.226 -9.152 1.00 0.55 H new ATOM 0 HG21 THR A 110 1.428 14.519 -7.058 1.00 0.47 H new ATOM 0 HG22 THR A 110 1.799 13.050 -6.124 1.00 0.47 H new ATOM 0 HG23 THR A 110 2.823 14.496 -5.953 1.00 0.47 H new ATOM 1725 N VAL A 111 4.017 10.279 -8.009 1.00 0.29 N ATOM 1726 CA VAL A 111 4.184 9.097 -8.874 1.00 0.35 C ATOM 1727 C VAL A 111 2.865 8.664 -9.561 1.00 0.35 C ATOM 1728 O VAL A 111 2.862 8.409 -10.769 1.00 0.39 O ATOM 1729 CB VAL A 111 4.885 7.855 -8.168 1.00 0.38 C ATOM 1730 CG1 VAL A 111 6.417 7.938 -8.318 1.00 1.06 C ATOM 1731 CG2 VAL A 111 4.524 7.616 -6.664 1.00 1.00 C ATOM 0 H VAL A 111 3.437 10.114 -7.186 1.00 0.29 H new ATOM 0 HA VAL A 111 4.874 9.437 -9.646 1.00 0.35 H new ATOM 0 HB VAL A 111 4.478 6.994 -8.698 1.00 0.38 H new ATOM 0 HG11 VAL A 111 6.878 7.080 -7.829 1.00 1.06 H new ATOM 0 HG12 VAL A 111 6.680 7.937 -9.376 1.00 1.06 H new ATOM 0 HG13 VAL A 111 6.779 8.856 -7.856 1.00 1.06 H new ATOM 0 HG21 VAL A 111 5.063 6.743 -6.295 1.00 1.00 H new ATOM 0 HG22 VAL A 111 4.806 8.491 -6.079 1.00 1.00 H new ATOM 0 HG23 VAL A 111 3.451 7.447 -6.570 1.00 1.00 H new ATOM 1741 N VAL A 112 1.754 8.579 -8.791 1.00 0.33 N ATOM 1742 CA VAL A 112 0.445 8.196 -9.385 1.00 0.35 C ATOM 1743 C VAL A 112 -0.575 9.304 -9.041 1.00 0.34 C ATOM 1744 O VAL A 112 -1.264 9.231 -8.020 1.00 0.32 O ATOM 1745 CB VAL A 112 -0.146 6.741 -8.974 1.00 0.37 C ATOM 1746 CG1 VAL A 112 -0.818 6.046 -10.185 1.00 0.44 C ATOM 1747 CG2 VAL A 112 0.882 5.737 -8.389 1.00 0.40 C ATOM 0 H VAL A 112 1.732 8.763 -7.788 1.00 0.33 H new ATOM 0 HA VAL A 112 0.622 8.100 -10.456 1.00 0.35 H new ATOM 0 HB VAL A 112 -0.858 6.980 -8.184 1.00 0.37 H new ATOM 0 HG11 VAL A 112 -1.204 5.074 -9.878 1.00 0.44 H new ATOM 0 HG12 VAL A 112 -1.639 6.664 -10.550 1.00 0.44 H new ATOM 0 HG13 VAL A 112 -0.085 5.911 -10.980 1.00 0.44 H new ATOM 0 HG21 VAL A 112 0.380 4.800 -8.150 1.00 0.40 H new ATOM 0 HG22 VAL A 112 1.667 5.551 -9.122 1.00 0.40 H new ATOM 0 HG23 VAL A 112 1.323 6.154 -7.483 1.00 0.40 H new ATOM 1757 N LYS A 113 -0.667 10.330 -9.927 1.00 0.36 N ATOM 1758 CA LYS A 113 -1.607 11.436 -9.719 1.00 0.38 C ATOM 1759 C LYS A 113 -2.755 11.432 -10.739 1.00 0.43 C ATOM 1760 O LYS A 113 -2.848 12.243 -11.666 1.00 0.70 O ATOM 1761 CB LYS A 113 -0.892 12.800 -9.668 1.00 0.42 C ATOM 1762 CG LYS A 113 -0.111 13.204 -10.957 1.00 1.12 C ATOM 1763 CD LYS A 113 -0.397 14.661 -11.395 1.00 1.27 C ATOM 1764 CE LYS A 113 0.075 15.690 -10.353 1.00 1.50 C ATOM 1765 NZ LYS A 113 1.554 15.682 -10.199 1.00 2.30 N ATOM 0 H LYS A 113 -0.106 10.404 -10.776 1.00 0.36 H new ATOM 0 HA LYS A 113 -2.059 11.274 -8.741 1.00 0.38 H new ATOM 0 HB2 LYS A 113 -1.634 13.571 -9.459 1.00 0.42 H new ATOM 0 HB3 LYS A 113 -0.195 12.793 -8.830 1.00 0.42 H new ATOM 0 HG2 LYS A 113 0.958 13.085 -10.782 1.00 1.12 H new ATOM 0 HG3 LYS A 113 -0.379 12.526 -11.767 1.00 1.12 H new ATOM 0 HD2 LYS A 113 0.100 14.856 -12.345 1.00 1.27 H new ATOM 0 HD3 LYS A 113 -1.467 14.783 -11.564 1.00 1.27 H new ATOM 0 HE2 LYS A 113 -0.254 16.686 -10.651 1.00 1.50 H new ATOM 0 HE3 LYS A 113 -0.392 15.474 -9.392 1.00 1.50 H new ATOM 0 HZ1 LYS A 113 1.889 16.649 -10.014 1.00 2.30 H new ATOM 0 HZ2 LYS A 113 1.817 15.067 -9.403 1.00 2.30 H new ATOM 0 HZ3 LYS A 113 1.992 15.325 -11.072 1.00 2.30 H new ATOM 1779 N ASP A 114 -3.632 10.486 -10.445 1.00 0.37 N ATOM 1780 CA ASP A 114 -4.893 10.131 -11.153 1.00 0.42 C ATOM 1781 C ASP A 114 -5.210 8.643 -10.852 1.00 0.38 C ATOM 1782 O ASP A 114 -5.238 7.800 -11.755 1.00 0.40 O ATOM 1783 CB ASP A 114 -4.976 10.471 -12.722 1.00 0.50 C ATOM 1784 CG ASP A 114 -3.905 9.853 -13.667 1.00 1.70 C ATOM 1785 OD1 ASP A 114 -4.124 8.726 -14.159 1.00 2.48 O ATOM 1786 OD2 ASP A 114 -2.865 10.507 -13.896 1.00 2.09 O ATOM 0 H ASP A 114 -3.485 9.882 -9.636 1.00 0.37 H new ATOM 0 HA ASP A 114 -5.661 10.794 -10.754 1.00 0.42 H new ATOM 0 HB2 ASP A 114 -5.956 10.156 -13.079 1.00 0.50 H new ATOM 0 HB3 ASP A 114 -4.930 11.555 -12.831 1.00 0.50 H new ATOM 1791 N LEU A 115 -5.471 8.320 -9.554 1.00 0.36 N ATOM 1792 CA LEU A 115 -5.747 6.936 -9.162 1.00 0.36 C ATOM 1793 C LEU A 115 -7.238 6.579 -9.182 1.00 0.38 C ATOM 1794 O LEU A 115 -8.007 6.929 -8.281 1.00 0.42 O ATOM 1795 CB LEU A 115 -5.125 6.546 -7.800 1.00 0.38 C ATOM 1796 CG LEU A 115 -4.091 5.363 -7.823 1.00 0.35 C ATOM 1797 CD1 LEU A 115 -3.327 5.276 -6.534 1.00 1.13 C ATOM 1798 CD2 LEU A 115 -4.716 3.994 -8.115 1.00 1.06 C ATOM 0 H LEU A 115 -5.493 8.993 -8.788 1.00 0.36 H new ATOM 0 HA LEU A 115 -5.255 6.344 -9.934 1.00 0.36 H new ATOM 0 HB2 LEU A 115 -4.631 7.425 -7.385 1.00 0.38 H new ATOM 0 HB3 LEU A 115 -5.933 6.282 -7.117 1.00 0.38 H new ATOM 0 HG LEU A 115 -3.419 5.602 -8.647 1.00 0.35 H new ATOM 0 HD11 LEU A 115 -2.621 4.447 -6.585 1.00 1.13 H new ATOM 0 HD12 LEU A 115 -2.783 6.206 -6.370 1.00 1.13 H new ATOM 0 HD13 LEU A 115 -4.021 5.111 -5.710 1.00 1.13 H new ATOM 0 HD21 LEU A 115 -3.938 3.231 -8.114 1.00 1.06 H new ATOM 0 HD22 LEU A 115 -5.455 3.760 -7.348 1.00 1.06 H new ATOM 0 HD23 LEU A 115 -5.201 4.016 -9.091 1.00 1.06 H new ATOM 1810 N ASP A 116 -7.603 5.917 -10.287 1.00 0.39 N ATOM 1811 CA ASP A 116 -8.950 5.383 -10.522 1.00 0.43 C ATOM 1812 C ASP A 116 -8.853 3.830 -10.518 1.00 0.42 C ATOM 1813 O ASP A 116 -8.555 3.201 -11.544 1.00 0.43 O ATOM 1814 CB ASP A 116 -9.630 5.958 -11.832 1.00 0.46 C ATOM 1815 CG ASP A 116 -8.750 6.073 -13.103 1.00 1.55 C ATOM 1816 OD1 ASP A 116 -7.931 5.164 -13.348 1.00 2.35 O ATOM 1817 OD2 ASP A 116 -8.888 7.078 -13.830 1.00 1.83 O ATOM 0 H ASP A 116 -6.959 5.734 -11.056 1.00 0.39 H new ATOM 0 HA ASP A 116 -9.614 5.710 -9.721 1.00 0.43 H new ATOM 0 HB2 ASP A 116 -10.486 5.327 -12.071 1.00 0.46 H new ATOM 0 HB3 ASP A 116 -10.019 6.950 -11.601 1.00 0.46 H new ATOM 1822 N ILE A 117 -9.119 3.227 -9.326 1.00 0.42 N ATOM 1823 CA ILE A 117 -9.009 1.745 -9.066 1.00 0.42 C ATOM 1824 C ILE A 117 -10.004 0.845 -9.917 1.00 0.44 C ATOM 1825 O ILE A 117 -9.680 -0.311 -10.221 1.00 0.44 O ATOM 1826 CB ILE A 117 -9.128 1.435 -7.500 1.00 0.43 C ATOM 1827 CG1 ILE A 117 -8.562 2.614 -6.636 1.00 0.55 C ATOM 1828 CG2 ILE A 117 -8.382 0.121 -7.086 1.00 0.49 C ATOM 1829 CD1 ILE A 117 -9.593 3.418 -5.842 1.00 0.68 C ATOM 0 H ILE A 117 -9.419 3.752 -8.505 1.00 0.42 H new ATOM 0 HA ILE A 117 -8.016 1.460 -9.413 1.00 0.42 H new ATOM 0 HB ILE A 117 -10.194 1.310 -7.310 1.00 0.43 H new ATOM 0 HG12 ILE A 117 -7.831 2.208 -5.937 1.00 0.55 H new ATOM 0 HG13 ILE A 117 -8.027 3.297 -7.296 1.00 0.55 H new ATOM 0 HG21 ILE A 117 -8.496 -0.040 -6.014 1.00 0.49 H new ATOM 0 HG22 ILE A 117 -8.807 -0.725 -7.627 1.00 0.49 H new ATOM 0 HG23 ILE A 117 -7.323 0.212 -7.329 1.00 0.49 H new ATOM 0 HD11 ILE A 117 -9.088 4.206 -5.283 1.00 0.68 H new ATOM 0 HD12 ILE A 117 -10.313 3.864 -6.528 1.00 0.68 H new ATOM 0 HD13 ILE A 117 -10.114 2.758 -5.148 1.00 0.68 H new ATOM 1841 N PHE A 118 -11.166 1.416 -10.345 1.00 0.48 N ATOM 1842 CA PHE A 118 -12.175 0.713 -11.194 1.00 0.51 C ATOM 1843 C PHE A 118 -11.700 0.579 -12.685 1.00 0.53 C ATOM 1844 O PHE A 118 -11.904 -0.461 -13.311 1.00 0.56 O ATOM 1845 CB PHE A 118 -13.513 1.480 -11.122 1.00 0.56 C ATOM 1846 CG PHE A 118 -14.728 0.722 -11.662 1.00 0.62 C ATOM 1847 CD1 PHE A 118 -15.418 -0.195 -10.865 1.00 0.65 C ATOM 1848 CD2 PHE A 118 -15.176 0.930 -12.966 1.00 0.68 C ATOM 1849 CE1 PHE A 118 -16.516 -0.880 -11.356 1.00 0.72 C ATOM 1850 CE2 PHE A 118 -16.275 0.244 -13.458 1.00 0.75 C ATOM 1851 CZ PHE A 118 -16.948 -0.662 -12.644 1.00 0.77 C ATOM 0 H PHE A 118 -11.430 2.373 -10.112 1.00 0.48 H new ATOM 0 HA PHE A 118 -12.302 -0.299 -10.810 1.00 0.51 H new ATOM 0 HB2 PHE A 118 -13.704 1.748 -10.083 1.00 0.56 H new ATOM 0 HB3 PHE A 118 -13.410 2.412 -11.678 1.00 0.56 H new ATOM 0 HD1 PHE A 118 -15.090 -0.372 -9.851 1.00 0.65 H new ATOM 0 HD2 PHE A 118 -14.660 1.635 -13.601 1.00 0.68 H new ATOM 0 HE1 PHE A 118 -17.035 -1.588 -10.726 1.00 0.72 H new ATOM 0 HE2 PHE A 118 -16.609 0.412 -14.471 1.00 0.75 H new ATOM 0 HZ PHE A 118 -17.808 -1.193 -13.023 1.00 0.77 H new ATOM 1861 N ASP A 119 -11.043 1.656 -13.218 1.00 0.52 N ATOM 1862 CA ASP A 119 -10.459 1.702 -14.596 1.00 0.54 C ATOM 1863 C ASP A 119 -9.130 0.875 -14.738 1.00 0.53 C ATOM 1864 O ASP A 119 -8.805 0.418 -15.838 1.00 0.57 O ATOM 1865 CB ASP A 119 -10.200 3.169 -15.001 1.00 0.55 C ATOM 1866 CG ASP A 119 -10.593 3.496 -16.448 1.00 0.57 C ATOM 1867 OD1 ASP A 119 -11.727 3.154 -16.845 1.00 0.72 O ATOM 1868 OD2 ASP A 119 -9.768 4.089 -17.175 1.00 0.91 O ATOM 0 H ASP A 119 -10.904 2.522 -12.698 1.00 0.52 H new ATOM 0 HA ASP A 119 -11.189 1.241 -15.261 1.00 0.54 H new ATOM 0 HB2 ASP A 119 -10.754 3.824 -14.328 1.00 0.55 H new ATOM 0 HB3 ASP A 119 -9.142 3.392 -14.864 1.00 0.55 H new ATOM 1873 N ARG A 120 -8.374 0.703 -13.611 1.00 0.49 N ATOM 1874 CA ARG A 120 -7.099 -0.067 -13.584 1.00 0.48 C ATOM 1875 C ARG A 120 -7.302 -1.610 -13.569 1.00 0.50 C ATOM 1876 O ARG A 120 -6.757 -2.301 -14.435 1.00 0.54 O ATOM 1877 CB ARG A 120 -6.242 0.339 -12.369 1.00 0.46 C ATOM 1878 CG ARG A 120 -5.863 1.840 -12.283 1.00 0.45 C ATOM 1879 CD ARG A 120 -4.825 2.277 -13.341 1.00 0.52 C ATOM 1880 NE ARG A 120 -3.599 1.481 -13.287 1.00 1.23 N ATOM 1881 CZ ARG A 120 -2.541 1.699 -14.064 1.00 1.49 C ATOM 1882 NH1 ARG A 120 -2.559 2.685 -14.952 1.00 1.03 N ATOM 1883 NH2 ARG A 120 -1.465 0.933 -13.952 1.00 2.43 N ATOM 0 H ARG A 120 -8.633 1.093 -12.705 1.00 0.49 H new ATOM 0 HA ARG A 120 -6.587 0.184 -14.513 1.00 0.48 H new ATOM 0 HB2 ARG A 120 -6.780 0.067 -11.461 1.00 0.46 H new ATOM 0 HB3 ARG A 120 -5.324 -0.248 -12.383 1.00 0.46 H new ATOM 0 HG2 ARG A 120 -6.765 2.441 -12.401 1.00 0.45 H new ATOM 0 HG3 ARG A 120 -5.467 2.050 -11.289 1.00 0.45 H new ATOM 0 HD2 ARG A 120 -5.266 2.192 -14.334 1.00 0.52 H new ATOM 0 HD3 ARG A 120 -4.579 3.328 -13.191 1.00 0.52 H new ATOM 0 HE ARG A 120 -3.552 0.715 -12.615 1.00 1.23 H new ATOM 0 HH11 ARG A 120 -3.385 3.277 -15.040 1.00 1.03 H new ATOM 0 HH12 ARG A 120 -1.747 2.851 -15.547 1.00 1.03 H new ATOM 0 HH21 ARG A 120 -1.447 0.175 -13.270 1.00 2.43 H new ATOM 0 HH22 ARG A 120 -0.655 1.101 -14.548 1.00 2.43 H new ATOM 1897 N VAL A 121 -8.080 -2.147 -12.592 1.00 0.48 N ATOM 1898 CA VAL A 121 -8.346 -3.629 -12.531 1.00 0.51 C ATOM 1899 C VAL A 121 -9.724 -4.072 -13.144 1.00 0.56 C ATOM 1900 O VAL A 121 -9.791 -5.131 -13.774 1.00 0.62 O ATOM 1901 CB VAL A 121 -8.148 -4.318 -11.095 1.00 0.53 C ATOM 1902 CG1 VAL A 121 -6.679 -4.735 -10.881 1.00 0.92 C ATOM 1903 CG2 VAL A 121 -8.609 -3.472 -9.870 1.00 0.93 C ATOM 0 H VAL A 121 -8.526 -1.605 -11.852 1.00 0.48 H new ATOM 0 HA VAL A 121 -7.549 -4.005 -13.172 1.00 0.51 H new ATOM 0 HB VAL A 121 -8.807 -5.185 -11.132 1.00 0.53 H new ATOM 0 HG11 VAL A 121 -6.572 -5.199 -9.901 1.00 0.92 H new ATOM 0 HG12 VAL A 121 -6.386 -5.446 -11.653 1.00 0.92 H new ATOM 0 HG13 VAL A 121 -6.039 -3.855 -10.937 1.00 0.92 H new ATOM 0 HG21 VAL A 121 -8.430 -4.033 -8.953 1.00 0.93 H new ATOM 0 HG22 VAL A 121 -8.047 -2.538 -9.841 1.00 0.93 H new ATOM 0 HG23 VAL A 121 -9.673 -3.253 -9.959 1.00 0.93 H new ATOM 1913 N GLY A 122 -10.799 -3.270 -12.958 1.00 0.57 N ATOM 1914 CA GLY A 122 -12.118 -3.626 -13.500 1.00 0.63 C ATOM 1915 C GLY A 122 -13.224 -3.617 -12.449 1.00 0.66 C ATOM 1916 O GLY A 122 -13.627 -2.553 -11.971 1.00 0.85 O ATOM 0 H GLY A 122 -10.774 -2.389 -12.445 1.00 0.57 H new ATOM 0 HA2 GLY A 122 -12.377 -2.928 -14.296 1.00 0.63 H new ATOM 0 HA3 GLY A 122 -12.063 -4.617 -13.951 1.00 0.63 H new ATOM 1920 N HIS A 123 -13.718 -4.820 -12.096 1.00 0.72 N ATOM 1921 CA HIS A 123 -14.776 -4.976 -11.077 1.00 0.87 C ATOM 1922 C HIS A 123 -14.233 -5.727 -9.850 1.00 0.73 C ATOM 1923 O HIS A 123 -13.996 -6.941 -9.906 1.00 1.34 O ATOM 1924 CB HIS A 123 -15.980 -5.747 -11.655 1.00 1.38 C ATOM 1925 CG HIS A 123 -16.828 -4.970 -12.622 1.00 1.76 C ATOM 1926 ND1 HIS A 123 -18.164 -4.704 -12.399 1.00 2.62 N ATOM 1927 CD2 HIS A 123 -16.535 -4.421 -13.827 1.00 2.27 C ATOM 1928 CE1 HIS A 123 -18.654 -4.029 -13.424 1.00 3.18 C ATOM 1929 NE2 HIS A 123 -17.687 -3.845 -14.302 1.00 3.01 N ATOM 0 H HIS A 123 -13.401 -5.700 -12.502 1.00 0.72 H new ATOM 0 HA HIS A 123 -15.102 -3.980 -10.776 1.00 0.87 H new ATOM 0 HB2 HIS A 123 -15.612 -6.642 -12.156 1.00 1.38 H new ATOM 0 HB3 HIS A 123 -16.609 -6.080 -10.829 1.00 1.38 H new ATOM 0 HD2 HIS A 123 -15.575 -4.434 -14.321 1.00 2.27 H new ATOM 0 HE1 HIS A 123 -19.673 -3.686 -13.526 1.00 3.18 H new ATOM 0 HE2 HIS A 123 -17.780 -3.354 -15.191 1.00 3.01 H new ATOM 1938 N SER A 124 -14.037 -4.971 -8.728 1.00 0.86 N ATOM 1939 CA SER A 124 -13.497 -5.481 -7.419 1.00 0.70 C ATOM 1940 C SER A 124 -11.971 -5.853 -7.507 1.00 0.99 C ATOM 1941 O SER A 124 -11.173 -5.036 -7.977 1.00 2.08 O ATOM 1942 CB SER A 124 -14.371 -6.656 -6.891 1.00 0.73 C ATOM 1943 OG SER A 124 -14.320 -6.765 -5.475 1.00 1.20 O ATOM 0 H SER A 124 -14.252 -3.974 -8.703 1.00 0.86 H new ATOM 0 HA SER A 124 -13.559 -4.672 -6.691 1.00 0.70 H new ATOM 0 HB2 SER A 124 -15.404 -6.509 -7.206 1.00 0.73 H new ATOM 0 HB3 SER A 124 -14.031 -7.590 -7.339 1.00 0.73 H new ATOM 0 HG SER A 124 -14.883 -7.513 -5.184 1.00 1.20 H new ATOM 1949 N THR A 125 -11.580 -7.082 -7.023 1.00 0.56 N ATOM 1950 CA THR A 125 -10.166 -7.665 -7.053 1.00 0.51 C ATOM 1951 C THR A 125 -9.035 -6.810 -6.367 1.00 0.48 C ATOM 1952 O THR A 125 -9.299 -5.789 -5.721 1.00 0.51 O ATOM 1953 CB THR A 125 -9.686 -8.112 -8.512 1.00 0.55 C ATOM 1954 OG1 THR A 125 -10.068 -7.189 -9.548 1.00 0.62 O ATOM 1955 CG2 THR A 125 -10.193 -9.517 -8.893 1.00 0.62 C ATOM 0 H THR A 125 -12.248 -7.719 -6.588 1.00 0.56 H new ATOM 0 HA THR A 125 -10.295 -8.548 -6.427 1.00 0.51 H new ATOM 0 HB THR A 125 -8.598 -8.123 -8.445 1.00 0.55 H new ATOM 0 HG1 THR A 125 -9.745 -7.517 -10.413 1.00 0.62 H new ATOM 0 HG21 THR A 125 -9.840 -9.773 -9.892 1.00 0.62 H new ATOM 0 HG22 THR A 125 -9.815 -10.247 -8.177 1.00 0.62 H new ATOM 0 HG23 THR A 125 -11.283 -9.526 -8.880 1.00 0.62 H new ATOM 1963 N ALA A 126 -7.763 -7.282 -6.504 1.00 0.46 N ATOM 1964 CA ALA A 126 -6.577 -6.607 -5.929 1.00 0.43 C ATOM 1965 C ALA A 126 -5.784 -5.755 -6.972 1.00 0.38 C ATOM 1966 O ALA A 126 -5.434 -6.230 -8.068 1.00 0.41 O ATOM 1967 CB ALA A 126 -5.640 -7.665 -5.290 1.00 0.46 C ATOM 0 H ALA A 126 -7.539 -8.136 -7.014 1.00 0.46 H new ATOM 0 HA ALA A 126 -6.942 -5.911 -5.173 1.00 0.43 H new ATOM 0 HB1 ALA A 126 -4.767 -7.169 -4.866 1.00 0.46 H new ATOM 0 HB2 ALA A 126 -6.174 -8.195 -4.502 1.00 0.46 H new ATOM 0 HB3 ALA A 126 -5.320 -8.375 -6.052 1.00 0.46 H new ATOM 1973 N HIS A 127 -5.525 -4.472 -6.613 1.00 0.34 N ATOM 1974 CA HIS A 127 -4.728 -3.537 -7.449 1.00 0.32 C ATOM 1975 C HIS A 127 -3.303 -3.410 -6.852 1.00 0.31 C ATOM 1976 O HIS A 127 -3.134 -3.323 -5.633 1.00 0.35 O ATOM 1977 CB HIS A 127 -5.413 -2.145 -7.536 1.00 0.32 C ATOM 1978 CG HIS A 127 -4.733 -1.145 -8.460 1.00 0.33 C ATOM 1979 ND1 HIS A 127 -4.107 -1.498 -9.643 1.00 0.35 N ATOM 1980 CD2 HIS A 127 -4.547 0.196 -8.338 1.00 0.36 C ATOM 1981 CE1 HIS A 127 -3.567 -0.424 -10.192 1.00 0.38 C ATOM 1982 NE2 HIS A 127 -3.822 0.611 -9.424 1.00 0.38 N ATOM 0 H HIS A 127 -5.860 -4.059 -5.743 1.00 0.34 H new ATOM 0 HA HIS A 127 -4.662 -3.933 -8.462 1.00 0.32 H new ATOM 0 HB2 HIS A 127 -6.441 -2.284 -7.871 1.00 0.32 H new ATOM 0 HB3 HIS A 127 -5.459 -1.717 -6.535 1.00 0.32 H new ATOM 0 HD2 HIS A 127 -4.905 0.820 -7.533 1.00 0.36 H new ATOM 0 HE1 HIS A 127 -3.010 -0.401 -11.117 1.00 0.38 H new ATOM 0 HE2 HIS A 127 -3.527 1.570 -9.607 1.00 0.38 H new ATOM 1991 N ASP A 128 -2.286 -3.379 -7.719 1.00 0.32 N ATOM 1992 CA ASP A 128 -0.890 -3.325 -7.245 1.00 0.33 C ATOM 1993 C ASP A 128 0.008 -2.348 -8.029 1.00 0.30 C ATOM 1994 O ASP A 128 0.113 -2.415 -9.260 1.00 0.42 O ATOM 1995 CB ASP A 128 -0.225 -4.764 -7.185 1.00 0.45 C ATOM 1996 CG ASP A 128 -0.314 -5.639 -8.462 1.00 1.70 C ATOM 1997 OD1 ASP A 128 0.586 -5.531 -9.321 1.00 2.50 O ATOM 1998 OD2 ASP A 128 -1.283 -6.419 -8.582 1.00 2.10 O ATOM 0 H ASP A 128 -2.393 -3.390 -8.733 1.00 0.32 H new ATOM 0 HA ASP A 128 -0.961 -2.929 -6.232 1.00 0.33 H new ATOM 0 HB2 ASP A 128 0.828 -4.639 -6.934 1.00 0.45 H new ATOM 0 HB3 ASP A 128 -0.685 -5.315 -6.365 1.00 0.45 H new ATOM 2003 N GLU A 129 0.651 -1.440 -7.279 1.00 0.25 N ATOM 2004 CA GLU A 129 1.612 -0.493 -7.856 1.00 0.30 C ATOM 2005 C GLU A 129 3.011 -0.681 -7.220 1.00 0.27 C ATOM 2006 O GLU A 129 3.171 -0.690 -5.980 1.00 0.25 O ATOM 2007 CB GLU A 129 1.117 0.963 -7.720 1.00 0.43 C ATOM 2008 CG GLU A 129 0.272 1.472 -8.908 1.00 0.91 C ATOM 2009 CD GLU A 129 1.110 1.791 -10.137 1.00 0.76 C ATOM 2010 OE1 GLU A 129 1.678 2.902 -10.196 1.00 1.56 O ATOM 2011 OE2 GLU A 129 1.198 0.930 -11.037 1.00 1.12 O ATOM 0 H GLU A 129 0.522 -1.343 -6.272 1.00 0.25 H new ATOM 0 HA GLU A 129 1.698 -0.704 -8.922 1.00 0.30 H new ATOM 0 HB2 GLU A 129 0.525 1.047 -6.809 1.00 0.43 H new ATOM 0 HB3 GLU A 129 1.981 1.616 -7.600 1.00 0.43 H new ATOM 0 HG2 GLU A 129 -0.472 0.719 -9.167 1.00 0.91 H new ATOM 0 HG3 GLU A 129 -0.272 2.366 -8.604 1.00 0.91 H new ATOM 2018 N ILE A 130 4.006 -0.856 -8.116 1.00 0.28 N ATOM 2019 CA ILE A 130 5.426 -1.086 -7.752 1.00 0.28 C ATOM 2020 C ILE A 130 6.302 0.145 -8.111 1.00 0.29 C ATOM 2021 O ILE A 130 6.311 0.615 -9.256 1.00 0.39 O ATOM 2022 CB ILE A 130 6.034 -2.379 -8.456 1.00 0.31 C ATOM 2023 CG1 ILE A 130 4.939 -3.294 -9.095 1.00 0.37 C ATOM 2024 CG2 ILE A 130 6.892 -3.228 -7.469 1.00 0.37 C ATOM 2025 CD1 ILE A 130 4.721 -3.100 -10.597 1.00 0.45 C ATOM 0 H ILE A 130 3.847 -0.842 -9.123 1.00 0.28 H new ATOM 0 HA ILE A 130 5.439 -1.246 -6.674 1.00 0.28 H new ATOM 0 HB ILE A 130 6.671 -1.998 -9.254 1.00 0.31 H new ATOM 0 HG12 ILE A 130 5.208 -4.335 -8.915 1.00 0.37 H new ATOM 0 HG13 ILE A 130 3.994 -3.115 -8.581 1.00 0.37 H new ATOM 0 HG21 ILE A 130 7.288 -4.100 -7.989 1.00 0.37 H new ATOM 0 HG22 ILE A 130 7.718 -2.624 -7.093 1.00 0.37 H new ATOM 0 HG23 ILE A 130 6.271 -3.554 -6.635 1.00 0.37 H new ATOM 0 HD11 ILE A 130 3.943 -3.780 -10.943 1.00 0.45 H new ATOM 0 HD12 ILE A 130 4.416 -2.072 -10.791 1.00 0.45 H new ATOM 0 HD13 ILE A 130 5.649 -3.310 -11.129 1.00 0.45 H new ATOM 2037 N ILE A 131 7.045 0.634 -7.103 1.00 0.21 N ATOM 2038 CA ILE A 131 7.921 1.808 -7.252 1.00 0.26 C ATOM 2039 C ILE A 131 9.342 1.518 -6.643 1.00 0.18 C ATOM 2040 O ILE A 131 9.528 1.706 -5.432 1.00 0.18 O ATOM 2041 CB ILE A 131 7.296 3.111 -6.562 1.00 0.34 C ATOM 2042 CG1 ILE A 131 5.737 3.164 -6.668 1.00 0.30 C ATOM 2043 CG2 ILE A 131 7.875 4.432 -7.165 1.00 0.62 C ATOM 2044 CD1 ILE A 131 4.979 2.891 -5.369 1.00 0.84 C ATOM 0 H ILE A 131 7.055 0.229 -6.167 1.00 0.21 H new ATOM 0 HA ILE A 131 8.016 2.003 -8.320 1.00 0.26 H new ATOM 0 HB ILE A 131 7.577 3.034 -5.512 1.00 0.34 H new ATOM 0 HG12 ILE A 131 5.449 4.149 -7.036 1.00 0.30 H new ATOM 0 HG13 ILE A 131 5.416 2.438 -7.415 1.00 0.30 H new ATOM 0 HG21 ILE A 131 7.422 5.289 -6.666 1.00 0.62 H new ATOM 0 HG22 ILE A 131 8.955 4.456 -7.019 1.00 0.62 H new ATOM 0 HG23 ILE A 131 7.652 4.473 -8.231 1.00 0.62 H new ATOM 0 HD11 ILE A 131 3.907 2.952 -5.554 1.00 0.84 H new ATOM 0 HD12 ILE A 131 5.228 1.894 -5.005 1.00 0.84 H new ATOM 0 HD13 ILE A 131 5.261 3.632 -4.621 1.00 0.84 H new ATOM 2056 N PRO A 132 10.364 1.018 -7.448 1.00 0.13 N ATOM 2057 CA PRO A 132 11.772 0.818 -6.953 1.00 0.09 C ATOM 2058 C PRO A 132 12.560 2.144 -6.812 1.00 0.08 C ATOM 2059 O PRO A 132 12.554 2.984 -7.715 1.00 0.16 O ATOM 2060 CB PRO A 132 12.428 -0.065 -8.037 1.00 0.13 C ATOM 2061 CG PRO A 132 11.272 -0.642 -8.798 1.00 0.16 C ATOM 2062 CD PRO A 132 10.234 0.468 -8.820 1.00 0.16 C ATOM 0 HA PRO A 132 11.774 0.376 -5.957 1.00 0.09 H new ATOM 0 HB2 PRO A 132 13.079 0.521 -8.686 1.00 0.13 H new ATOM 0 HB3 PRO A 132 13.042 -0.848 -7.593 1.00 0.13 H new ATOM 0 HG2 PRO A 132 11.566 -0.930 -9.807 1.00 0.16 H new ATOM 0 HG3 PRO A 132 10.885 -1.537 -8.312 1.00 0.16 H new ATOM 0 HD2 PRO A 132 10.448 1.215 -9.584 1.00 0.16 H new ATOM 0 HD3 PRO A 132 9.231 0.089 -9.017 1.00 0.16 H new ATOM 2070 N ILE A 133 13.227 2.298 -5.659 1.00 0.07 N ATOM 2071 CA ILE A 133 13.986 3.517 -5.315 1.00 0.08 C ATOM 2072 C ILE A 133 15.511 3.206 -5.155 1.00 0.08 C ATOM 2073 O ILE A 133 15.910 2.102 -4.768 1.00 0.10 O ATOM 2074 CB ILE A 133 13.394 4.177 -3.984 1.00 0.15 C ATOM 2075 CG1 ILE A 133 11.833 4.003 -3.903 1.00 0.23 C ATOM 2076 CG2 ILE A 133 13.753 5.694 -3.863 1.00 0.30 C ATOM 2077 CD1 ILE A 133 11.251 3.732 -2.507 1.00 0.38 C ATOM 0 H ILE A 133 13.258 1.581 -4.934 1.00 0.07 H new ATOM 0 HA ILE A 133 13.881 4.230 -6.133 1.00 0.08 H new ATOM 0 HB ILE A 133 13.859 3.648 -3.152 1.00 0.15 H new ATOM 0 HG12 ILE A 133 11.367 4.905 -4.299 1.00 0.23 H new ATOM 0 HG13 ILE A 133 11.546 3.181 -4.559 1.00 0.23 H new ATOM 0 HG21 ILE A 133 13.329 6.096 -2.943 1.00 0.30 H new ATOM 0 HG22 ILE A 133 14.837 5.811 -3.844 1.00 0.30 H new ATOM 0 HG23 ILE A 133 13.345 6.234 -4.717 1.00 0.30 H new ATOM 0 HD11 ILE A 133 10.168 3.630 -2.578 1.00 0.38 H new ATOM 0 HD12 ILE A 133 11.676 2.811 -2.108 1.00 0.38 H new ATOM 0 HD13 ILE A 133 11.495 4.562 -1.844 1.00 0.38 H new ATOM 2089 N SER A 134 16.341 4.221 -5.461 1.00 0.10 N ATOM 2090 CA SER A 134 17.800 4.101 -5.340 1.00 0.12 C ATOM 2091 C SER A 134 18.418 5.318 -4.613 1.00 0.13 C ATOM 2092 O SER A 134 18.463 6.429 -5.150 1.00 0.15 O ATOM 2093 CB SER A 134 18.467 3.874 -6.731 1.00 0.15 C ATOM 2094 OG SER A 134 18.049 4.821 -7.718 1.00 1.31 O ATOM 0 H SER A 134 16.023 5.131 -5.793 1.00 0.10 H new ATOM 0 HA SER A 134 18.002 3.222 -4.727 1.00 0.12 H new ATOM 0 HB2 SER A 134 19.550 3.928 -6.621 1.00 0.15 H new ATOM 0 HB3 SER A 134 18.232 2.868 -7.079 1.00 0.15 H new ATOM 0 HG SER A 134 18.501 4.630 -8.567 1.00 1.31 H new ATOM 2100 N ILE A 135 18.887 5.074 -3.371 1.00 0.13 N ATOM 2101 CA ILE A 135 19.541 6.106 -2.530 1.00 0.15 C ATOM 2102 C ILE A 135 21.069 5.774 -2.431 1.00 0.18 C ATOM 2103 O ILE A 135 21.451 4.666 -2.033 1.00 0.18 O ATOM 2104 CB ILE A 135 18.841 6.221 -1.085 1.00 0.16 C ATOM 2105 CG1 ILE A 135 17.301 6.389 -1.213 1.00 0.13 C ATOM 2106 CG2 ILE A 135 19.407 7.384 -0.189 1.00 0.25 C ATOM 2107 CD1 ILE A 135 16.472 5.474 -0.300 1.00 0.15 C ATOM 0 H ILE A 135 18.825 4.160 -2.922 1.00 0.13 H new ATOM 0 HA ILE A 135 19.424 7.086 -2.992 1.00 0.15 H new ATOM 0 HB ILE A 135 19.079 5.281 -0.587 1.00 0.16 H new ATOM 0 HG12 ILE A 135 17.044 7.425 -0.994 1.00 0.13 H new ATOM 0 HG13 ILE A 135 17.015 6.201 -2.248 1.00 0.13 H new ATOM 0 HG21 ILE A 135 18.884 7.394 0.767 1.00 0.25 H new ATOM 0 HG22 ILE A 135 20.472 7.226 -0.018 1.00 0.25 H new ATOM 0 HG23 ILE A 135 19.258 8.338 -0.694 1.00 0.25 H new ATOM 0 HD11 ILE A 135 15.411 5.664 -0.461 1.00 0.15 H new ATOM 0 HD12 ILE A 135 16.693 4.432 -0.532 1.00 0.15 H new ATOM 0 HD13 ILE A 135 16.723 5.675 0.741 1.00 0.15 H new ATOM 2119 N LYS A 136 21.906 6.763 -2.815 1.00 0.20 N ATOM 2120 CA LYS A 136 23.377 6.627 -2.790 1.00 0.23 C ATOM 2121 C LYS A 136 24.033 7.913 -2.271 1.00 0.28 C ATOM 2122 O LYS A 136 23.747 9.016 -2.763 1.00 0.29 O ATOM 2123 CB LYS A 136 23.923 6.306 -4.201 1.00 0.22 C ATOM 2124 CG LYS A 136 23.485 4.927 -4.768 1.00 0.25 C ATOM 2125 CD LYS A 136 24.589 3.831 -4.709 1.00 0.94 C ATOM 2126 CE LYS A 136 25.010 3.448 -3.274 1.00 1.23 C ATOM 2127 NZ LYS A 136 25.917 4.462 -2.662 1.00 2.05 N ATOM 0 H LYS A 136 21.583 7.671 -3.148 1.00 0.20 H new ATOM 0 HA LYS A 136 23.622 5.805 -2.118 1.00 0.23 H new ATOM 0 HB2 LYS A 136 23.597 7.087 -4.888 1.00 0.22 H new ATOM 0 HB3 LYS A 136 25.012 6.342 -4.171 1.00 0.22 H new ATOM 0 HG2 LYS A 136 22.614 4.579 -4.213 1.00 0.25 H new ATOM 0 HG3 LYS A 136 23.172 5.056 -5.804 1.00 0.25 H new ATOM 0 HD2 LYS A 136 24.230 2.939 -5.223 1.00 0.94 H new ATOM 0 HD3 LYS A 136 25.466 4.182 -5.254 1.00 0.94 H new ATOM 0 HE2 LYS A 136 24.121 3.338 -2.654 1.00 1.23 H new ATOM 0 HE3 LYS A 136 25.510 2.479 -3.290 1.00 1.23 H new ATOM 0 HZ1 LYS A 136 26.691 3.979 -2.163 1.00 2.05 H new ATOM 0 HZ2 LYS A 136 26.312 5.070 -3.408 1.00 2.05 H new ATOM 0 HZ3 LYS A 136 25.381 5.045 -1.988 1.00 2.05 H new ATOM 2141 N LYS A 137 24.896 7.761 -1.219 1.00 0.33 N ATOM 2142 CA LYS A 137 25.649 8.884 -0.536 1.00 0.40 C ATOM 2143 C LYS A 137 24.738 9.903 0.247 1.00 0.39 C ATOM 2144 O LYS A 137 25.173 11.007 0.588 1.00 0.42 O ATOM 2145 CB LYS A 137 26.529 9.633 -1.572 1.00 0.44 C ATOM 2146 CG LYS A 137 27.748 10.385 -0.981 1.00 0.99 C ATOM 2147 CD LYS A 137 28.517 11.228 -2.036 1.00 1.59 C ATOM 2148 CE LYS A 137 27.821 12.559 -2.375 1.00 2.70 C ATOM 2149 NZ LYS A 137 28.572 13.322 -3.409 1.00 3.55 N ATOM 0 H LYS A 137 25.096 6.848 -0.811 1.00 0.33 H new ATOM 0 HA LYS A 137 26.270 8.410 0.223 1.00 0.40 H new ATOM 0 HB2 LYS A 137 26.888 8.913 -2.308 1.00 0.44 H new ATOM 0 HB3 LYS A 137 25.904 10.349 -2.105 1.00 0.44 H new ATOM 0 HG2 LYS A 137 27.409 11.040 -0.179 1.00 0.99 H new ATOM 0 HG3 LYS A 137 28.431 9.662 -0.535 1.00 0.99 H new ATOM 0 HD2 LYS A 137 29.521 11.435 -1.665 1.00 1.59 H new ATOM 0 HD3 LYS A 137 28.629 10.642 -2.948 1.00 1.59 H new ATOM 0 HE2 LYS A 137 26.810 12.361 -2.731 1.00 2.70 H new ATOM 0 HE3 LYS A 137 27.729 13.162 -1.472 1.00 2.70 H new ATOM 0 HZ1 LYS A 137 28.075 14.212 -3.613 1.00 3.55 H new ATOM 0 HZ2 LYS A 137 29.529 13.532 -3.059 1.00 3.55 H new ATOM 0 HZ3 LYS A 137 28.638 12.756 -4.279 1.00 3.55 H new ATOM 2163 N GLY A 138 23.477 9.493 0.527 1.00 0.35 N ATOM 2164 CA GLY A 138 22.492 10.340 1.212 1.00 0.36 C ATOM 2165 C GLY A 138 21.504 11.074 0.275 1.00 0.33 C ATOM 2166 O GLY A 138 20.831 12.007 0.722 1.00 0.37 O ATOM 0 H GLY A 138 23.123 8.568 0.282 1.00 0.35 H new ATOM 0 HA2 GLY A 138 21.922 9.722 1.905 1.00 0.36 H new ATOM 0 HA3 GLY A 138 23.024 11.081 1.809 1.00 0.36 H new ATOM 2170 N LYS A 139 21.415 10.659 -1.021 1.00 0.29 N ATOM 2171 CA LYS A 139 20.493 11.304 -1.977 1.00 0.29 C ATOM 2172 C LYS A 139 19.521 10.300 -2.624 1.00 0.26 C ATOM 2173 O LYS A 139 19.886 9.161 -2.923 1.00 0.25 O ATOM 2174 CB LYS A 139 21.259 12.057 -3.070 1.00 0.33 C ATOM 2175 CG LYS A 139 22.195 13.174 -2.552 1.00 0.65 C ATOM 2176 CD LYS A 139 23.144 13.740 -3.642 1.00 0.67 C ATOM 2177 CE LYS A 139 22.399 14.466 -4.781 1.00 1.00 C ATOM 2178 NZ LYS A 139 21.433 15.476 -4.265 1.00 1.56 N ATOM 0 H LYS A 139 21.963 9.894 -1.414 1.00 0.29 H new ATOM 0 HA LYS A 139 19.905 12.016 -1.398 1.00 0.29 H new ATOM 0 HB2 LYS A 139 21.851 11.340 -3.639 1.00 0.33 H new ATOM 0 HB3 LYS A 139 20.540 12.496 -3.762 1.00 0.33 H new ATOM 0 HG2 LYS A 139 21.590 13.987 -2.150 1.00 0.65 H new ATOM 0 HG3 LYS A 139 22.792 12.784 -1.728 1.00 0.65 H new ATOM 0 HD2 LYS A 139 23.847 14.432 -3.178 1.00 0.67 H new ATOM 0 HD3 LYS A 139 23.731 12.923 -4.063 1.00 0.67 H new ATOM 0 HE2 LYS A 139 23.123 14.957 -5.432 1.00 1.00 H new ATOM 0 HE3 LYS A 139 21.867 13.735 -5.390 1.00 1.00 H new ATOM 0 HZ1 LYS A 139 21.068 16.043 -5.056 1.00 1.56 H new ATOM 0 HZ2 LYS A 139 20.643 14.991 -3.793 1.00 1.56 H new ATOM 0 HZ3 LYS A 139 21.913 16.099 -3.585 1.00 1.56 H new ATOM 2192 N LEU A 140 18.299 10.778 -2.924 1.00 0.25 N ATOM 2193 CA LEU A 140 17.218 9.935 -3.470 1.00 0.24 C ATOM 2194 C LEU A 140 17.014 10.084 -4.996 1.00 0.26 C ATOM 2195 O LEU A 140 17.047 11.185 -5.549 1.00 0.34 O ATOM 2196 CB LEU A 140 15.910 10.301 -2.727 1.00 0.24 C ATOM 2197 CG LEU A 140 14.832 9.193 -2.547 1.00 0.22 C ATOM 2198 CD1 LEU A 140 14.295 9.160 -1.117 1.00 0.22 C ATOM 2199 CD2 LEU A 140 13.671 9.396 -3.506 1.00 0.25 C ATOM 0 H LEU A 140 18.034 11.754 -2.796 1.00 0.25 H new ATOM 0 HA LEU A 140 17.499 8.894 -3.313 1.00 0.24 H new ATOM 0 HB2 LEU A 140 16.181 10.666 -1.736 1.00 0.24 H new ATOM 0 HB3 LEU A 140 15.447 11.133 -3.258 1.00 0.24 H new ATOM 0 HG LEU A 140 15.320 8.243 -2.765 1.00 0.22 H new ATOM 0 HD11 LEU A 140 13.545 8.375 -1.028 1.00 0.22 H new ATOM 0 HD12 LEU A 140 15.113 8.960 -0.426 1.00 0.22 H new ATOM 0 HD13 LEU A 140 13.843 10.122 -0.876 1.00 0.22 H new ATOM 0 HD21 LEU A 140 12.934 8.607 -3.357 1.00 0.25 H new ATOM 0 HD22 LEU A 140 13.209 10.365 -3.318 1.00 0.25 H new ATOM 0 HD23 LEU A 140 14.037 9.362 -4.532 1.00 0.25 H new ATOM 2211 N SER A 141 16.779 8.936 -5.650 1.00 0.21 N ATOM 2212 CA SER A 141 16.528 8.872 -7.096 1.00 0.22 C ATOM 2213 C SER A 141 15.224 8.095 -7.371 1.00 0.19 C ATOM 2214 O SER A 141 15.130 6.889 -7.085 1.00 0.16 O ATOM 2215 CB SER A 141 17.713 8.205 -7.813 1.00 0.25 C ATOM 2216 OG SER A 141 17.987 8.833 -9.058 1.00 0.64 O ATOM 0 H SER A 141 16.758 8.026 -5.190 1.00 0.21 H new ATOM 0 HA SER A 141 16.419 9.886 -7.481 1.00 0.22 H new ATOM 0 HB2 SER A 141 18.598 8.252 -7.178 1.00 0.25 H new ATOM 0 HB3 SER A 141 17.494 7.150 -7.977 1.00 0.25 H new ATOM 0 HG SER A 141 18.746 8.388 -9.489 1.00 0.64 H new ATOM 2222 N VAL A 142 14.226 8.807 -7.931 1.00 0.21 N ATOM 2223 CA VAL A 142 12.906 8.221 -8.234 1.00 0.22 C ATOM 2224 C VAL A 142 12.583 8.325 -9.787 1.00 0.25 C ATOM 2225 O VAL A 142 12.074 9.340 -10.267 1.00 0.26 O ATOM 2226 CB VAL A 142 11.773 8.826 -7.217 1.00 0.27 C ATOM 2227 CG1 VAL A 142 11.354 10.317 -7.426 1.00 0.46 C ATOM 2228 CG2 VAL A 142 10.508 7.945 -7.146 1.00 0.41 C ATOM 0 H VAL A 142 14.310 9.792 -8.183 1.00 0.21 H new ATOM 0 HA VAL A 142 12.906 7.148 -8.039 1.00 0.22 H new ATOM 0 HB VAL A 142 12.305 8.807 -6.266 1.00 0.27 H new ATOM 0 HG11 VAL A 142 10.599 10.590 -6.688 1.00 0.46 H new ATOM 0 HG12 VAL A 142 12.226 10.960 -7.308 1.00 0.46 H new ATOM 0 HG13 VAL A 142 10.944 10.443 -8.428 1.00 0.46 H new ATOM 0 HG21 VAL A 142 9.791 8.393 -6.458 1.00 0.41 H new ATOM 0 HG22 VAL A 142 10.061 7.869 -8.137 1.00 0.41 H new ATOM 0 HG23 VAL A 142 10.777 6.950 -6.792 1.00 0.41 H new ATOM 2238 N GLN A 143 12.922 7.233 -10.546 1.00 0.31 N ATOM 2239 CA GLN A 143 12.702 7.095 -12.038 1.00 0.39 C ATOM 2240 C GLN A 143 13.524 8.105 -12.901 1.00 0.41 C ATOM 2241 O GLN A 143 14.613 7.776 -13.380 1.00 0.46 O ATOM 2242 CB GLN A 143 11.186 7.169 -12.408 1.00 0.44 C ATOM 2243 CG GLN A 143 10.351 5.896 -12.124 1.00 0.65 C ATOM 2244 CD GLN A 143 9.765 5.866 -10.723 1.00 0.87 C ATOM 2245 OE1 GLN A 143 8.649 6.331 -10.497 1.00 1.56 O ATOM 2246 NE2 GLN A 143 10.516 5.316 -9.776 1.00 1.12 N ATOM 0 H GLN A 143 13.363 6.409 -10.138 1.00 0.31 H new ATOM 0 HA GLN A 143 13.080 6.103 -12.286 1.00 0.39 H new ATOM 0 HB2 GLN A 143 10.740 8.000 -11.862 1.00 0.44 H new ATOM 0 HB3 GLN A 143 11.103 7.404 -13.469 1.00 0.44 H new ATOM 0 HG2 GLN A 143 9.542 5.830 -12.851 1.00 0.65 H new ATOM 0 HG3 GLN A 143 10.980 5.017 -12.267 1.00 0.65 H new ATOM 0 HE21 GLN A 143 11.436 4.942 -10.008 1.00 1.12 H new ATOM 0 HE22 GLN A 143 10.173 5.267 -8.817 1.00 1.12 H new ATOM 2255 N GLY A 144 12.972 9.323 -13.081 1.00 0.40 N ATOM 2256 CA GLY A 144 13.640 10.385 -13.837 1.00 0.45 C ATOM 2257 C GLY A 144 13.693 11.739 -13.097 1.00 0.42 C ATOM 2258 O GLY A 144 13.764 12.789 -13.741 1.00 0.49 O ATOM 0 H GLY A 144 12.061 9.589 -12.708 1.00 0.40 H new ATOM 0 HA2 GLY A 144 14.657 10.068 -14.069 1.00 0.45 H new ATOM 0 HA3 GLY A 144 13.124 10.521 -14.787 1.00 0.45 H new ATOM 2262 N GLU A 145 13.657 11.706 -11.742 1.00 0.33 N ATOM 2263 CA GLU A 145 13.713 12.915 -10.905 1.00 0.32 C ATOM 2264 C GLU A 145 14.639 12.678 -9.701 1.00 0.27 C ATOM 2265 O GLU A 145 14.369 11.821 -8.851 1.00 0.36 O ATOM 2266 CB GLU A 145 12.294 13.313 -10.427 1.00 0.37 C ATOM 2267 CG GLU A 145 12.084 14.823 -10.215 1.00 0.80 C ATOM 2268 CD GLU A 145 10.685 15.153 -9.734 1.00 1.16 C ATOM 2269 OE1 GLU A 145 9.714 14.814 -10.445 1.00 1.53 O ATOM 2270 OE2 GLU A 145 10.558 15.745 -8.641 1.00 1.82 O ATOM 0 H GLU A 145 13.589 10.840 -11.207 1.00 0.33 H new ATOM 0 HA GLU A 145 14.114 13.735 -11.501 1.00 0.32 H new ATOM 0 HB2 GLU A 145 11.567 12.958 -11.158 1.00 0.37 H new ATOM 0 HB3 GLU A 145 12.083 12.796 -9.491 1.00 0.37 H new ATOM 0 HG2 GLU A 145 12.810 15.189 -9.489 1.00 0.80 H new ATOM 0 HG3 GLU A 145 12.276 15.348 -11.151 1.00 0.80 H new ATOM 2277 N VAL A 146 15.727 13.464 -9.631 1.00 0.30 N ATOM 2278 CA VAL A 146 16.733 13.335 -8.552 1.00 0.27 C ATOM 2279 C VAL A 146 16.636 14.518 -7.499 1.00 0.28 C ATOM 2280 O VAL A 146 16.532 15.698 -7.856 1.00 0.32 O ATOM 2281 CB VAL A 146 18.207 13.070 -9.193 1.00 0.31 C ATOM 2282 CG1 VAL A 146 18.931 14.308 -9.817 1.00 1.02 C ATOM 2283 CG2 VAL A 146 19.166 12.344 -8.214 1.00 0.72 C ATOM 0 H VAL A 146 15.936 14.198 -10.308 1.00 0.30 H new ATOM 0 HA VAL A 146 16.517 12.453 -7.949 1.00 0.27 H new ATOM 0 HB VAL A 146 17.970 12.417 -10.033 1.00 0.31 H new ATOM 0 HG11 VAL A 146 19.901 14.003 -10.209 1.00 1.02 H new ATOM 0 HG12 VAL A 146 18.324 14.715 -10.626 1.00 1.02 H new ATOM 0 HG13 VAL A 146 19.073 15.071 -9.051 1.00 1.02 H new ATOM 0 HG21 VAL A 146 20.132 12.194 -8.695 1.00 0.72 H new ATOM 0 HG22 VAL A 146 19.297 12.949 -7.317 1.00 0.72 H new ATOM 0 HG23 VAL A 146 18.743 11.377 -7.941 1.00 0.72 H new ATOM 2293 N SER A 147 16.669 14.133 -6.214 1.00 0.27 N ATOM 2294 CA SER A 147 16.605 15.065 -5.078 1.00 0.29 C ATOM 2295 C SER A 147 17.430 14.504 -3.904 1.00 0.29 C ATOM 2296 O SER A 147 18.063 13.450 -4.024 1.00 0.30 O ATOM 2297 CB SER A 147 15.145 15.288 -4.639 1.00 0.31 C ATOM 2298 OG SER A 147 14.519 16.304 -5.408 1.00 0.56 O ATOM 0 H SER A 147 16.742 13.156 -5.932 1.00 0.27 H new ATOM 0 HA SER A 147 17.020 16.025 -5.387 1.00 0.29 H new ATOM 0 HB2 SER A 147 14.587 14.357 -4.741 1.00 0.31 H new ATOM 0 HB3 SER A 147 15.119 15.561 -3.584 1.00 0.31 H new ATOM 0 HG SER A 147 14.953 16.365 -6.285 1.00 0.56 H new ATOM 2304 N THR A 148 17.474 15.222 -2.776 1.00 0.30 N ATOM 2305 CA THR A 148 18.226 14.734 -1.601 1.00 0.31 C ATOM 2306 C THR A 148 17.303 14.156 -0.461 1.00 0.27 C ATOM 2307 O THR A 148 16.248 14.718 -0.143 1.00 0.32 O ATOM 2308 CB THR A 148 19.343 15.774 -1.100 1.00 0.44 C ATOM 2309 OG1 THR A 148 20.181 15.188 -0.089 1.00 1.25 O ATOM 2310 CG2 THR A 148 18.820 17.135 -0.572 1.00 0.99 C ATOM 0 H THR A 148 17.012 16.122 -2.646 1.00 0.30 H new ATOM 0 HA THR A 148 18.792 13.867 -1.941 1.00 0.31 H new ATOM 0 HB THR A 148 19.902 15.994 -2.009 1.00 0.44 H new ATOM 0 HG1 THR A 148 20.853 15.841 0.198 1.00 1.25 H new ATOM 0 HG21 THR A 148 19.663 17.753 -0.263 1.00 0.99 H new ATOM 0 HG22 THR A 148 18.267 17.644 -1.362 1.00 0.99 H new ATOM 0 HG23 THR A 148 18.162 16.966 0.280 1.00 0.99 H new ATOM 2318 N PHE A 149 17.756 13.024 0.137 1.00 0.26 N ATOM 2319 CA PHE A 149 17.055 12.327 1.259 1.00 0.24 C ATOM 2320 C PHE A 149 17.369 12.991 2.625 1.00 0.24 C ATOM 2321 O PHE A 149 18.539 13.089 3.020 1.00 0.29 O ATOM 2322 CB PHE A 149 17.481 10.823 1.297 1.00 0.23 C ATOM 2323 CG PHE A 149 16.934 10.024 2.497 1.00 0.22 C ATOM 2324 CD1 PHE A 149 15.580 9.676 2.583 1.00 0.22 C ATOM 2325 CD2 PHE A 149 17.787 9.581 3.510 1.00 0.24 C ATOM 2326 CE1 PHE A 149 15.107 8.914 3.635 1.00 0.24 C ATOM 2327 CE2 PHE A 149 17.310 8.828 4.563 1.00 0.26 C ATOM 2328 CZ PHE A 149 15.911 8.665 4.712 1.00 0.25 C ATOM 0 H PHE A 149 18.622 12.563 -0.143 1.00 0.26 H new ATOM 0 HA PHE A 149 15.982 12.404 1.083 1.00 0.24 H new ATOM 0 HB2 PHE A 149 17.148 10.343 0.377 1.00 0.23 H new ATOM 0 HB3 PHE A 149 18.570 10.769 1.309 1.00 0.23 H new ATOM 0 HD1 PHE A 149 14.896 10.008 1.816 1.00 0.22 H new ATOM 0 HD2 PHE A 149 18.837 9.832 3.468 1.00 0.24 H new ATOM 0 HE1 PHE A 149 14.103 8.516 3.606 1.00 0.24 H new ATOM 0 HE2 PHE A 149 17.993 8.370 5.263 1.00 0.26 H new ATOM 0 HZ PHE A 149 15.489 8.351 5.655 1.00 0.25 H new ATOM 2338 N THR A 150 16.316 13.431 3.337 1.00 0.25 N ATOM 2339 CA THR A 150 16.517 14.078 4.658 1.00 0.30 C ATOM 2340 C THR A 150 15.691 13.414 5.780 1.00 0.40 C ATOM 2341 O THR A 150 14.544 13.795 6.037 1.00 1.15 O ATOM 2342 CB THR A 150 16.215 15.631 4.650 1.00 0.66 C ATOM 2343 OG1 THR A 150 15.170 15.970 3.715 1.00 1.42 O ATOM 2344 CG2 THR A 150 17.467 16.479 4.335 1.00 1.18 C ATOM 0 H THR A 150 15.344 13.357 3.037 1.00 0.25 H new ATOM 0 HA THR A 150 17.578 13.936 4.865 1.00 0.30 H new ATOM 0 HB THR A 150 15.884 15.867 5.661 1.00 0.66 H new ATOM 0 HG1 THR A 150 15.010 16.937 3.739 1.00 1.42 H new ATOM 0 HG21 THR A 150 17.202 17.536 4.343 1.00 1.18 H new ATOM 0 HG22 THR A 150 18.232 16.291 5.088 1.00 1.18 H new ATOM 0 HG23 THR A 150 17.852 16.209 3.352 1.00 1.18 H new ATOM 2352 N GLY A 151 16.319 12.411 6.451 1.00 0.32 N ATOM 2353 CA GLY A 151 15.725 11.687 7.605 1.00 0.18 C ATOM 2354 C GLY A 151 14.633 10.632 7.332 1.00 0.20 C ATOM 2355 O GLY A 151 14.837 9.451 7.620 1.00 0.42 O ATOM 0 H GLY A 151 17.253 12.082 6.205 1.00 0.32 H new ATOM 0 HA2 GLY A 151 16.537 11.193 8.139 1.00 0.18 H new ATOM 0 HA3 GLY A 151 15.305 12.431 8.282 1.00 0.18 H new ATOM 2359 N LYS A 152 13.482 11.066 6.793 1.00 0.16 N ATOM 2360 CA LYS A 152 12.341 10.170 6.543 1.00 0.13 C ATOM 2361 C LYS A 152 11.768 10.300 5.110 1.00 0.13 C ATOM 2362 O LYS A 152 12.016 11.273 4.397 1.00 0.16 O ATOM 2363 CB LYS A 152 11.264 10.442 7.672 1.00 0.22 C ATOM 2364 CG LYS A 152 9.754 10.249 7.320 1.00 0.41 C ATOM 2365 CD LYS A 152 8.965 11.584 7.177 1.00 0.56 C ATOM 2366 CE LYS A 152 9.476 12.492 6.046 1.00 0.69 C ATOM 2367 NZ LYS A 152 8.490 13.553 5.702 1.00 1.10 N ATOM 0 H LYS A 152 13.317 12.035 6.521 1.00 0.16 H new ATOM 0 HA LYS A 152 12.671 9.132 6.594 1.00 0.13 H new ATOM 0 HB2 LYS A 152 11.494 9.790 8.515 1.00 0.22 H new ATOM 0 HB3 LYS A 152 11.396 11.468 8.017 1.00 0.22 H new ATOM 0 HG2 LYS A 152 9.677 9.691 6.387 1.00 0.41 H new ATOM 0 HG3 LYS A 152 9.285 9.642 8.094 1.00 0.41 H new ATOM 0 HD2 LYS A 152 7.914 11.356 7.000 1.00 0.56 H new ATOM 0 HD3 LYS A 152 9.019 12.129 8.119 1.00 0.56 H new ATOM 0 HE2 LYS A 152 10.417 12.953 6.347 1.00 0.69 H new ATOM 0 HE3 LYS A 152 9.685 11.889 5.162 1.00 0.69 H new ATOM 0 HZ1 LYS A 152 8.733 13.967 4.780 1.00 1.10 H new ATOM 0 HZ2 LYS A 152 7.537 13.139 5.655 1.00 1.10 H new ATOM 0 HZ3 LYS A 152 8.510 14.295 6.431 1.00 1.10 H new ATOM 2381 N LEU A 153 11.004 9.256 4.732 1.00 0.12 N ATOM 2382 CA LEU A 153 10.284 9.152 3.432 1.00 0.13 C ATOM 2383 C LEU A 153 8.761 9.241 3.685 1.00 0.13 C ATOM 2384 O LEU A 153 8.263 8.625 4.635 1.00 0.18 O ATOM 2385 CB LEU A 153 10.622 7.801 2.759 1.00 0.15 C ATOM 2386 CG LEU A 153 10.914 7.781 1.227 1.00 0.34 C ATOM 2387 CD1 LEU A 153 11.806 6.596 0.858 1.00 0.43 C ATOM 2388 CD2 LEU A 153 9.629 7.707 0.396 1.00 0.67 C ATOM 0 H LEU A 153 10.863 8.441 5.329 1.00 0.12 H new ATOM 0 HA LEU A 153 10.593 9.966 2.776 1.00 0.13 H new ATOM 0 HB2 LEU A 153 11.493 7.387 3.267 1.00 0.15 H new ATOM 0 HB3 LEU A 153 9.791 7.121 2.946 1.00 0.15 H new ATOM 0 HG LEU A 153 11.424 8.717 0.998 1.00 0.34 H new ATOM 0 HD11 LEU A 153 11.996 6.604 -0.215 1.00 0.43 H new ATOM 0 HD12 LEU A 153 12.752 6.672 1.394 1.00 0.43 H new ATOM 0 HD13 LEU A 153 11.307 5.666 1.132 1.00 0.43 H new ATOM 0 HD21 LEU A 153 9.882 7.695 -0.664 1.00 0.67 H new ATOM 0 HD22 LEU A 153 9.084 6.798 0.649 1.00 0.67 H new ATOM 0 HD23 LEU A 153 9.006 8.575 0.611 1.00 0.67 H new ATOM 2400 N SER A 154 8.000 9.992 2.853 1.00 0.14 N ATOM 2401 CA SER A 154 6.551 10.105 3.110 1.00 0.16 C ATOM 2402 C SER A 154 5.653 9.527 1.996 1.00 0.19 C ATOM 2403 O SER A 154 5.938 9.632 0.813 1.00 0.36 O ATOM 2404 CB SER A 154 6.181 11.587 3.330 1.00 0.21 C ATOM 2405 OG SER A 154 4.990 11.742 4.098 1.00 0.24 O ATOM 0 H SER A 154 8.345 10.503 2.040 1.00 0.14 H new ATOM 0 HA SER A 154 6.362 9.504 3.999 1.00 0.16 H new ATOM 0 HB2 SER A 154 7.004 12.093 3.835 1.00 0.21 H new ATOM 0 HB3 SER A 154 6.053 12.074 2.363 1.00 0.21 H new ATOM 0 HG SER A 154 4.821 10.923 4.609 1.00 0.24 H new ATOM 2411 N VAL A 155 4.547 8.897 2.416 1.00 0.16 N ATOM 2412 CA VAL A 155 3.534 8.363 1.462 1.00 0.19 C ATOM 2413 C VAL A 155 2.202 9.074 1.840 1.00 0.25 C ATOM 2414 O VAL A 155 1.490 8.652 2.755 1.00 0.30 O ATOM 2415 CB VAL A 155 3.411 6.748 1.437 1.00 0.28 C ATOM 2416 CG1 VAL A 155 2.438 6.204 0.347 1.00 0.39 C ATOM 2417 CG2 VAL A 155 4.766 6.061 1.183 1.00 0.74 C ATOM 0 H VAL A 155 4.322 8.740 3.398 1.00 0.16 H new ATOM 0 HA VAL A 155 3.832 8.578 0.436 1.00 0.19 H new ATOM 0 HB VAL A 155 3.024 6.512 2.428 1.00 0.28 H new ATOM 0 HG11 VAL A 155 2.410 5.115 0.394 1.00 0.39 H new ATOM 0 HG12 VAL A 155 1.438 6.600 0.522 1.00 0.39 H new ATOM 0 HG13 VAL A 155 2.785 6.516 -0.638 1.00 0.39 H new ATOM 0 HG21 VAL A 155 4.630 4.980 1.176 1.00 0.74 H new ATOM 0 HG22 VAL A 155 5.163 6.383 0.220 1.00 0.74 H new ATOM 0 HG23 VAL A 155 5.466 6.333 1.973 1.00 0.74 H new ATOM 2427 N GLU A 156 1.898 10.150 1.095 1.00 0.28 N ATOM 2428 CA GLU A 156 0.717 10.983 1.359 1.00 0.36 C ATOM 2429 C GLU A 156 -0.325 10.909 0.243 1.00 0.34 C ATOM 2430 O GLU A 156 -0.017 11.179 -0.925 1.00 0.38 O ATOM 2431 CB GLU A 156 1.172 12.450 1.523 1.00 0.53 C ATOM 2432 CG GLU A 156 0.453 13.251 2.616 1.00 0.73 C ATOM 2433 CD GLU A 156 0.720 14.740 2.506 1.00 1.26 C ATOM 2434 OE1 GLU A 156 1.736 15.206 3.067 1.00 1.66 O ATOM 2435 OE2 GLU A 156 -0.087 15.443 1.861 1.00 1.67 O ATOM 0 H GLU A 156 2.458 10.463 0.302 1.00 0.28 H new ATOM 0 HA GLU A 156 0.246 10.605 2.267 1.00 0.36 H new ATOM 0 HB2 GLU A 156 2.241 12.458 1.736 1.00 0.53 H new ATOM 0 HB3 GLU A 156 1.033 12.963 0.571 1.00 0.53 H new ATOM 0 HG2 GLU A 156 -0.620 13.070 2.550 1.00 0.73 H new ATOM 0 HG3 GLU A 156 0.776 12.897 3.595 1.00 0.73 H new ATOM 2442 N PHE A 157 -1.575 10.557 0.609 1.00 0.35 N ATOM 2443 CA PHE A 157 -2.648 10.502 -0.388 1.00 0.40 C ATOM 2444 C PHE A 157 -3.700 11.605 -0.167 1.00 0.41 C ATOM 2445 O PHE A 157 -4.234 11.805 0.948 1.00 0.43 O ATOM 2446 CB PHE A 157 -3.280 9.089 -0.548 1.00 0.51 C ATOM 2447 CG PHE A 157 -3.857 8.425 0.703 1.00 0.60 C ATOM 2448 CD1 PHE A 157 -5.113 8.787 1.181 1.00 1.03 C ATOM 2449 CD2 PHE A 157 -3.171 7.401 1.364 1.00 0.99 C ATOM 2450 CE1 PHE A 157 -5.666 8.155 2.279 1.00 1.60 C ATOM 2451 CE2 PHE A 157 -3.726 6.775 2.467 1.00 1.55 C ATOM 2452 CZ PHE A 157 -4.972 7.149 2.921 1.00 1.80 C ATOM 0 H PHE A 157 -1.855 10.314 1.559 1.00 0.35 H new ATOM 0 HA PHE A 157 -2.173 10.707 -1.347 1.00 0.40 H new ATOM 0 HB2 PHE A 157 -4.077 9.159 -1.289 1.00 0.51 H new ATOM 0 HB3 PHE A 157 -2.519 8.426 -0.960 1.00 0.51 H new ATOM 0 HD1 PHE A 157 -5.664 9.573 0.687 1.00 1.03 H new ATOM 0 HD2 PHE A 157 -2.198 7.095 1.010 1.00 0.99 H new ATOM 0 HE1 PHE A 157 -6.642 8.449 2.635 1.00 1.60 H new ATOM 0 HE2 PHE A 157 -3.181 5.992 2.973 1.00 1.55 H new ATOM 0 HZ PHE A 157 -5.405 6.656 3.778 1.00 1.80 H new ATOM 2462 N VAL A 158 -3.953 12.318 -1.282 1.00 0.43 N ATOM 2463 CA VAL A 158 -4.898 13.472 -1.351 1.00 0.46 C ATOM 2464 C VAL A 158 -6.249 13.030 -1.997 1.00 0.48 C ATOM 2465 O VAL A 158 -6.291 12.226 -2.945 1.00 0.47 O ATOM 2466 CB VAL A 158 -4.330 14.773 -2.128 1.00 0.50 C ATOM 2467 CG1 VAL A 158 -4.807 16.098 -1.476 1.00 0.58 C ATOM 2468 CG2 VAL A 158 -2.785 14.856 -2.237 1.00 0.58 C ATOM 0 H VAL A 158 -3.506 12.114 -2.176 1.00 0.43 H new ATOM 0 HA VAL A 158 -5.043 13.780 -0.315 1.00 0.46 H new ATOM 0 HB VAL A 158 -4.738 14.648 -3.131 1.00 0.50 H new ATOM 0 HG11 VAL A 158 -4.401 16.944 -2.031 1.00 0.58 H new ATOM 0 HG12 VAL A 158 -5.896 16.141 -1.494 1.00 0.58 H new ATOM 0 HG13 VAL A 158 -4.459 16.141 -0.444 1.00 0.58 H new ATOM 0 HG21 VAL A 158 -2.506 15.763 -2.774 1.00 0.58 H new ATOM 0 HG22 VAL A 158 -2.350 14.878 -1.238 1.00 0.58 H new ATOM 0 HG23 VAL A 158 -2.411 13.986 -2.776 1.00 0.58 H new ATOM 2478 N LYS A 159 -7.332 13.636 -1.469 1.00 0.52 N ATOM 2479 CA LYS A 159 -8.738 13.369 -1.859 1.00 0.56 C ATOM 2480 C LYS A 159 -9.211 14.045 -3.176 1.00 0.66 C ATOM 2481 O LYS A 159 -8.758 15.134 -3.548 1.00 0.81 O ATOM 2482 CB LYS A 159 -9.665 13.815 -0.693 1.00 0.72 C ATOM 2483 CG LYS A 159 -9.556 15.325 -0.306 1.00 1.06 C ATOM 2484 CD LYS A 159 -10.646 16.204 -0.967 1.00 1.48 C ATOM 2485 CE LYS A 159 -10.439 17.701 -0.686 1.00 1.63 C ATOM 2486 NZ LYS A 159 -9.172 18.207 -1.287 1.00 2.18 N ATOM 0 H LYS A 159 -7.254 14.345 -0.739 1.00 0.52 H new ATOM 0 HA LYS A 159 -8.794 12.298 -2.055 1.00 0.56 H new ATOM 0 HB2 LYS A 159 -10.698 13.599 -0.966 1.00 0.72 H new ATOM 0 HB3 LYS A 159 -9.435 13.212 0.186 1.00 0.72 H new ATOM 0 HG2 LYS A 159 -9.628 15.422 0.777 1.00 1.06 H new ATOM 0 HG3 LYS A 159 -8.573 15.698 -0.595 1.00 1.06 H new ATOM 0 HD2 LYS A 159 -10.642 16.035 -2.044 1.00 1.48 H new ATOM 0 HD3 LYS A 159 -11.626 15.900 -0.600 1.00 1.48 H new ATOM 0 HE2 LYS A 159 -11.282 18.266 -1.085 1.00 1.63 H new ATOM 0 HE3 LYS A 159 -10.423 17.870 0.391 1.00 1.63 H new ATOM 0 HZ1 LYS A 159 -9.164 19.246 -1.255 1.00 2.18 H new ATOM 0 HZ2 LYS A 159 -8.361 17.838 -0.750 1.00 2.18 H new ATOM 0 HZ3 LYS A 159 -9.106 17.890 -2.275 1.00 2.18 H new ATOM 2500 N GLY A 160 -10.150 13.359 -3.849 1.00 0.74 N ATOM 2501 CA GLY A 160 -10.762 13.853 -5.095 1.00 0.93 C ATOM 2502 C GLY A 160 -12.190 14.406 -4.892 1.00 0.96 C ATOM 2503 O GLY A 160 -12.583 15.370 -5.553 1.00 1.02 O ATOM 0 H GLY A 160 -10.505 12.452 -3.547 1.00 0.74 H new ATOM 0 HA2 GLY A 160 -10.132 14.637 -5.516 1.00 0.93 H new ATOM 0 HA3 GLY A 160 -10.793 13.043 -5.823 1.00 0.93 H new ATOM 2507 N TYR A 161 -12.954 13.776 -3.970 1.00 0.96 N ATOM 2508 CA TYR A 161 -14.323 14.199 -3.632 1.00 1.02 C ATOM 2509 C TYR A 161 -14.490 14.316 -2.091 1.00 1.05 C ATOM 2510 O TYR A 161 -14.359 15.415 -1.543 1.00 1.11 O ATOM 2511 CB TYR A 161 -15.357 13.227 -4.256 1.00 1.14 C ATOM 2512 CG TYR A 161 -16.783 13.793 -4.370 1.00 1.34 C ATOM 2513 CD1 TYR A 161 -17.141 14.627 -5.434 1.00 1.63 C ATOM 2514 CD2 TYR A 161 -17.768 13.497 -3.418 1.00 1.81 C ATOM 2515 CE1 TYR A 161 -18.424 15.142 -5.542 1.00 2.07 C ATOM 2516 CE2 TYR A 161 -19.051 14.012 -3.529 1.00 2.26 C ATOM 2517 CZ TYR A 161 -19.369 14.831 -4.591 1.00 2.29 C ATOM 2518 OH TYR A 161 -20.642 15.342 -4.700 1.00 2.86 O ATOM 0 H TYR A 161 -12.635 12.963 -3.443 1.00 0.96 H new ATOM 0 HA TYR A 161 -14.506 15.187 -4.055 1.00 1.02 H new ATOM 0 HB2 TYR A 161 -15.013 12.942 -5.250 1.00 1.14 H new ATOM 0 HB3 TYR A 161 -15.388 12.317 -3.656 1.00 1.14 H new ATOM 0 HD1 TYR A 161 -16.405 14.874 -6.185 1.00 1.63 H new ATOM 0 HD2 TYR A 161 -17.524 12.857 -2.583 1.00 1.81 H new ATOM 0 HE1 TYR A 161 -18.681 15.786 -6.370 1.00 2.07 H new ATOM 0 HE2 TYR A 161 -19.798 13.772 -2.786 1.00 2.26 H new ATOM 0 HH TYR A 161 -21.187 15.026 -3.949 1.00 2.86 H new ATOM 2528 N TYR A 162 -14.771 13.182 -1.401 1.00 1.09 N ATOM 2529 CA TYR A 162 -14.938 13.146 0.074 1.00 1.17 C ATOM 2530 C TYR A 162 -15.018 11.682 0.580 1.00 1.10 C ATOM 2531 O TYR A 162 -16.045 11.255 1.118 1.00 1.71 O ATOM 2532 CB TYR A 162 -16.208 13.933 0.504 1.00 1.54 C ATOM 2533 CG TYR A 162 -16.170 14.473 1.945 1.00 1.88 C ATOM 2534 CD1 TYR A 162 -15.531 15.680 2.245 1.00 2.57 C ATOM 2535 CD2 TYR A 162 -16.769 13.777 3.003 1.00 2.00 C ATOM 2536 CE1 TYR A 162 -15.494 16.171 3.540 1.00 3.18 C ATOM 2537 CE2 TYR A 162 -16.731 14.269 4.298 1.00 2.64 C ATOM 2538 CZ TYR A 162 -16.095 15.461 4.557 1.00 3.16 C ATOM 2539 OH TYR A 162 -16.058 15.949 5.843 1.00 3.91 O ATOM 0 H TYR A 162 -14.888 12.273 -1.848 1.00 1.09 H new ATOM 0 HA TYR A 162 -14.067 13.622 0.524 1.00 1.17 H new ATOM 0 HB2 TYR A 162 -16.350 14.770 -0.180 1.00 1.54 H new ATOM 0 HB3 TYR A 162 -17.076 13.283 0.396 1.00 1.54 H new ATOM 0 HD1 TYR A 162 -15.057 16.240 1.452 1.00 2.57 H new ATOM 0 HD2 TYR A 162 -17.269 12.840 2.806 1.00 2.00 H new ATOM 0 HE1 TYR A 162 -14.996 17.106 3.752 1.00 3.18 H new ATOM 0 HE2 TYR A 162 -17.199 13.719 5.101 1.00 2.64 H new ATOM 0 HH TYR A 162 -16.528 15.331 6.441 1.00 3.91 H new ATOM 2549 N ASP A 163 -13.912 10.920 0.406 1.00 1.04 N ATOM 2550 CA ASP A 163 -13.831 9.490 0.815 1.00 0.99 C ATOM 2551 C ASP A 163 -12.396 8.946 0.806 1.00 1.06 C ATOM 2552 O ASP A 163 -12.052 8.157 1.690 1.00 1.74 O ATOM 2553 CB ASP A 163 -14.701 8.603 -0.104 1.00 1.11 C ATOM 2554 CG ASP A 163 -15.885 7.966 0.618 1.00 1.19 C ATOM 2555 OD1 ASP A 163 -15.706 6.881 1.210 1.00 1.27 O ATOM 2556 OD2 ASP A 163 -16.985 8.557 0.589 1.00 1.34 O ATOM 0 H ASP A 163 -13.054 11.273 -0.019 1.00 1.04 H new ATOM 0 HA ASP A 163 -14.203 9.453 1.839 1.00 0.99 H new ATOM 0 HB2 ASP A 163 -15.071 9.205 -0.934 1.00 1.11 H new ATOM 0 HB3 ASP A 163 -14.080 7.817 -0.533 1.00 1.11 H new ATOM 2561 N ASN A 164 -11.563 9.343 -0.218 1.00 0.83 N ATOM 2562 CA ASN A 164 -10.141 8.874 -0.395 1.00 0.83 C ATOM 2563 C ASN A 164 -10.096 7.495 -1.160 1.00 1.01 C ATOM 2564 O ASN A 164 -11.162 7.013 -1.576 1.00 1.68 O ATOM 2565 CB ASN A 164 -9.407 8.858 0.981 1.00 1.02 C ATOM 2566 CG ASN A 164 -8.474 10.054 1.169 1.00 0.88 C ATOM 2567 OD1 ASN A 164 -7.798 10.488 0.234 1.00 1.57 O ATOM 2568 ND2 ASN A 164 -8.443 10.595 2.384 1.00 0.82 N ATOM 0 H ASN A 164 -11.860 9.997 -0.942 1.00 0.83 H new ATOM 0 HA ASN A 164 -9.597 9.577 -1.026 1.00 0.83 H new ATOM 0 HB2 ASN A 164 -10.146 8.850 1.782 1.00 1.02 H new ATOM 0 HB3 ASN A 164 -8.831 7.937 1.070 1.00 1.02 H new ATOM 0 HD21 ASN A 164 -7.844 11.400 2.569 1.00 0.82 H new ATOM 0 HD22 ASN A 164 -9.018 10.205 3.131 1.00 0.82 H new ATOM 2575 N PRO A 165 -8.902 6.814 -1.416 1.00 0.87 N ATOM 2576 CA PRO A 165 -8.859 5.476 -2.141 1.00 1.06 C ATOM 2577 C PRO A 165 -9.527 4.269 -1.410 1.00 0.93 C ATOM 2578 O PRO A 165 -9.693 3.197 -1.998 1.00 1.76 O ATOM 2579 CB PRO A 165 -7.351 5.212 -2.299 1.00 1.45 C ATOM 2580 CG PRO A 165 -6.731 6.578 -2.232 1.00 2.06 C ATOM 2581 CD PRO A 165 -7.519 7.297 -1.159 1.00 1.41 C ATOM 0 HA PRO A 165 -9.434 5.548 -3.064 1.00 1.06 H new ATOM 0 HB2 PRO A 165 -6.975 4.564 -1.507 1.00 1.45 H new ATOM 0 HB3 PRO A 165 -7.130 4.720 -3.246 1.00 1.45 H new ATOM 0 HG2 PRO A 165 -5.673 6.522 -1.977 1.00 2.06 H new ATOM 0 HG3 PRO A 165 -6.802 7.094 -3.190 1.00 2.06 H new ATOM 0 HD2 PRO A 165 -7.176 7.038 -0.158 1.00 1.41 H new ATOM 0 HD3 PRO A 165 -7.441 8.380 -1.252 1.00 1.41 H new ATOM 2589 N LYS A 166 -9.901 4.486 -0.115 1.00 0.54 N ATOM 2590 CA LYS A 166 -10.602 3.509 0.788 1.00 0.47 C ATOM 2591 C LYS A 166 -9.662 2.449 1.426 1.00 0.42 C ATOM 2592 O LYS A 166 -9.368 2.536 2.622 1.00 0.47 O ATOM 2593 CB LYS A 166 -11.815 2.808 0.114 1.00 0.82 C ATOM 2594 CG LYS A 166 -12.858 3.763 -0.509 1.00 1.30 C ATOM 2595 CD LYS A 166 -14.124 3.014 -0.983 1.00 1.83 C ATOM 2596 CE LYS A 166 -15.065 3.919 -1.794 1.00 2.33 C ATOM 2597 NZ LYS A 166 -15.503 5.104 -1.009 1.00 3.00 N ATOM 0 H LYS A 166 -9.719 5.375 0.350 1.00 0.54 H new ATOM 0 HA LYS A 166 -10.979 4.136 1.596 1.00 0.47 H new ATOM 0 HB2 LYS A 166 -11.444 2.142 -0.665 1.00 0.82 H new ATOM 0 HB3 LYS A 166 -12.313 2.184 0.856 1.00 0.82 H new ATOM 0 HG2 LYS A 166 -13.138 4.520 0.223 1.00 1.30 H new ATOM 0 HG3 LYS A 166 -12.410 4.287 -1.353 1.00 1.30 H new ATOM 0 HD2 LYS A 166 -13.831 2.159 -1.592 1.00 1.83 H new ATOM 0 HD3 LYS A 166 -14.657 2.621 -0.117 1.00 1.83 H new ATOM 0 HE2 LYS A 166 -14.559 4.250 -2.701 1.00 2.33 H new ATOM 0 HE3 LYS A 166 -15.939 3.347 -2.107 1.00 2.33 H new ATOM 0 HZ1 LYS A 166 -16.214 5.636 -1.551 1.00 3.00 H new ATOM 0 HZ2 LYS A 166 -15.917 4.790 -0.108 1.00 3.00 H new ATOM 0 HZ3 LYS A 166 -14.684 5.716 -0.818 1.00 3.00 H new ATOM 2611 N VAL A 167 -9.191 1.449 0.625 1.00 0.39 N ATOM 2612 CA VAL A 167 -8.286 0.373 1.146 1.00 0.38 C ATOM 2613 C VAL A 167 -6.812 0.642 0.698 1.00 0.34 C ATOM 2614 O VAL A 167 -6.527 0.813 -0.500 1.00 0.33 O ATOM 2615 CB VAL A 167 -8.760 -1.111 0.693 1.00 0.45 C ATOM 2616 CG1 VAL A 167 -7.972 -2.267 1.376 1.00 0.80 C ATOM 2617 CG2 VAL A 167 -10.266 -1.396 0.951 1.00 0.58 C ATOM 0 H VAL A 167 -9.416 1.363 -0.366 1.00 0.39 H new ATOM 0 HA VAL A 167 -8.342 0.403 2.234 1.00 0.38 H new ATOM 0 HB VAL A 167 -8.553 -1.097 -0.377 1.00 0.45 H new ATOM 0 HG11 VAL A 167 -8.350 -3.225 1.019 1.00 0.80 H new ATOM 0 HG12 VAL A 167 -6.913 -2.180 1.131 1.00 0.80 H new ATOM 0 HG13 VAL A 167 -8.100 -2.206 2.457 1.00 0.80 H new ATOM 0 HG21 VAL A 167 -10.507 -2.407 0.622 1.00 0.58 H new ATOM 0 HG22 VAL A 167 -10.477 -1.301 2.016 1.00 0.58 H new ATOM 0 HG23 VAL A 167 -10.872 -0.680 0.396 1.00 0.58 H new ATOM 2627 N CYS A 168 -5.901 0.541 1.699 1.00 0.35 N ATOM 2628 CA CYS A 168 -4.459 0.761 1.506 1.00 0.35 C ATOM 2629 C CYS A 168 -3.632 -0.307 2.261 1.00 0.36 C ATOM 2630 O CYS A 168 -3.717 -0.434 3.485 1.00 0.48 O ATOM 2631 CB CYS A 168 -4.096 2.163 1.992 1.00 0.37 C ATOM 2632 SG CYS A 168 -2.679 2.904 1.150 1.00 0.87 S ATOM 0 H CYS A 168 -6.153 0.305 2.659 1.00 0.35 H new ATOM 0 HA CYS A 168 -4.224 0.673 0.445 1.00 0.35 H new ATOM 0 HB2 CYS A 168 -4.961 2.814 1.863 1.00 0.37 H new ATOM 0 HB3 CYS A 168 -3.886 2.120 3.061 1.00 0.37 H new ATOM 0 HG CYS A 168 -3.012 3.215 -0.068 1.00 0.87 H new ATOM 2638 N ALA A 169 -2.800 -1.046 1.493 1.00 0.29 N ATOM 2639 CA ALA A 169 -1.965 -2.185 1.982 1.00 0.29 C ATOM 2640 C ALA A 169 -0.413 -1.988 1.900 1.00 0.25 C ATOM 2641 O ALA A 169 0.300 -2.748 1.201 1.00 0.26 O ATOM 2642 CB ALA A 169 -2.414 -3.542 1.422 1.00 0.34 C ATOM 0 H ALA A 169 -2.682 -0.870 0.495 1.00 0.29 H new ATOM 0 HA ALA A 169 -2.166 -2.191 3.053 1.00 0.29 H new ATOM 0 HB1 ALA A 169 -1.769 -4.329 1.814 1.00 0.34 H new ATOM 0 HB2 ALA A 169 -3.444 -3.736 1.720 1.00 0.34 H new ATOM 0 HB3 ALA A 169 -2.348 -3.527 0.334 1.00 0.34 H new ATOM 2648 N LEU A 170 0.075 -0.825 2.419 1.00 0.22 N ATOM 2649 CA LEU A 170 1.535 -0.428 2.498 1.00 0.21 C ATOM 2650 C LEU A 170 2.531 -1.557 2.905 1.00 0.19 C ATOM 2651 O LEU A 170 2.318 -2.274 3.886 1.00 0.34 O ATOM 2652 CB LEU A 170 1.673 0.687 3.555 1.00 0.31 C ATOM 2653 CG LEU A 170 1.885 2.163 3.081 1.00 0.38 C ATOM 2654 CD1 LEU A 170 3.122 2.339 2.198 1.00 0.50 C ATOM 2655 CD2 LEU A 170 0.658 2.720 2.353 1.00 0.70 C ATOM 0 H LEU A 170 -0.542 -0.111 2.807 1.00 0.22 H new ATOM 0 HA LEU A 170 1.802 -0.130 1.484 1.00 0.21 H new ATOM 0 HB2 LEU A 170 0.776 0.666 4.174 1.00 0.31 H new ATOM 0 HB3 LEU A 170 2.511 0.426 4.201 1.00 0.31 H new ATOM 0 HG LEU A 170 2.042 2.731 3.998 1.00 0.38 H new ATOM 0 HD11 LEU A 170 3.213 3.384 1.903 1.00 0.50 H new ATOM 0 HD12 LEU A 170 4.011 2.040 2.753 1.00 0.50 H new ATOM 0 HD13 LEU A 170 3.025 1.718 1.308 1.00 0.50 H new ATOM 0 HD21 LEU A 170 0.854 3.747 2.044 1.00 0.70 H new ATOM 0 HD22 LEU A 170 0.448 2.110 1.474 1.00 0.70 H new ATOM 0 HD23 LEU A 170 -0.202 2.700 3.022 1.00 0.70 H new ATOM 2667 N PHE A 171 3.588 -1.711 2.107 1.00 0.16 N ATOM 2668 CA PHE A 171 4.614 -2.732 2.338 1.00 0.14 C ATOM 2669 C PHE A 171 5.979 -2.254 1.792 1.00 0.14 C ATOM 2670 O PHE A 171 6.202 -2.290 0.579 1.00 0.19 O ATOM 2671 CB PHE A 171 4.161 -4.065 1.648 1.00 0.17 C ATOM 2672 CG PHE A 171 5.201 -5.195 1.543 1.00 0.16 C ATOM 2673 CD1 PHE A 171 6.191 -5.342 2.520 1.00 0.15 C ATOM 2674 CD2 PHE A 171 5.184 -6.111 0.489 1.00 0.20 C ATOM 2675 CE1 PHE A 171 7.121 -6.365 2.440 1.00 0.15 C ATOM 2676 CE2 PHE A 171 6.108 -7.124 0.416 1.00 0.21 C ATOM 2677 CZ PHE A 171 7.094 -7.231 1.320 1.00 0.17 C ATOM 0 H PHE A 171 3.758 -1.134 1.284 1.00 0.16 H new ATOM 0 HA PHE A 171 4.733 -2.907 3.407 1.00 0.14 H new ATOM 0 HB2 PHE A 171 3.298 -4.450 2.192 1.00 0.17 H new ATOM 0 HB3 PHE A 171 3.821 -3.825 0.641 1.00 0.17 H new ATOM 0 HD1 PHE A 171 6.231 -4.649 3.347 1.00 0.15 H new ATOM 0 HD2 PHE A 171 4.432 -6.021 -0.281 1.00 0.20 H new ATOM 0 HE1 PHE A 171 7.856 -6.500 3.220 1.00 0.15 H new ATOM 0 HE2 PHE A 171 6.040 -7.847 -0.383 1.00 0.21 H new ATOM 0 HZ PHE A 171 7.865 -7.976 1.194 1.00 0.17 H new ATOM 2687 N ILE A 172 6.895 -1.811 2.684 1.00 0.10 N ATOM 2688 CA ILE A 172 8.238 -1.419 2.222 1.00 0.10 C ATOM 2689 C ILE A 172 9.361 -2.379 2.774 1.00 0.08 C ATOM 2690 O ILE A 172 9.547 -2.559 4.013 1.00 0.08 O ATOM 2691 CB ILE A 172 8.623 0.141 2.348 1.00 0.13 C ATOM 2692 CG1 ILE A 172 9.909 0.437 1.461 1.00 0.14 C ATOM 2693 CG2 ILE A 172 8.806 0.642 3.819 1.00 0.22 C ATOM 2694 CD1 ILE A 172 10.072 1.856 0.890 1.00 0.31 C ATOM 0 H ILE A 172 6.736 -1.720 3.687 1.00 0.10 H new ATOM 0 HA ILE A 172 8.181 -1.555 1.142 1.00 0.10 H new ATOM 0 HB ILE A 172 7.774 0.712 1.972 1.00 0.13 H new ATOM 0 HG12 ILE A 172 10.790 0.214 2.063 1.00 0.14 H new ATOM 0 HG13 ILE A 172 9.909 -0.263 0.625 1.00 0.14 H new ATOM 0 HG21 ILE A 172 9.064 1.701 3.813 1.00 0.22 H new ATOM 0 HG22 ILE A 172 7.877 0.497 4.371 1.00 0.22 H new ATOM 0 HG23 ILE A 172 9.605 0.077 4.299 1.00 0.22 H new ATOM 0 HD11 ILE A 172 10.992 1.910 0.308 1.00 0.31 H new ATOM 0 HD12 ILE A 172 9.222 2.090 0.249 1.00 0.31 H new ATOM 0 HD13 ILE A 172 10.118 2.575 1.708 1.00 0.31 H new ATOM 2706 N MET A 173 10.098 -2.955 1.818 1.00 0.09 N ATOM 2707 CA MET A 173 11.213 -3.874 2.103 1.00 0.11 C ATOM 2708 C MET A 173 12.528 -3.372 1.452 1.00 0.13 C ATOM 2709 O MET A 173 12.499 -2.522 0.550 1.00 0.21 O ATOM 2710 CB MET A 173 10.847 -5.317 1.670 1.00 0.15 C ATOM 2711 CG MET A 173 10.231 -5.439 0.255 1.00 0.17 C ATOM 2712 SD MET A 173 11.449 -5.341 -1.077 1.00 0.44 S ATOM 2713 CE MET A 173 12.500 -6.749 -0.734 1.00 0.26 C ATOM 0 H MET A 173 9.940 -2.799 0.822 1.00 0.09 H new ATOM 0 HA MET A 173 11.388 -3.894 3.179 1.00 0.11 H new ATOM 0 HB2 MET A 173 11.746 -5.932 1.713 1.00 0.15 H new ATOM 0 HB3 MET A 173 10.143 -5.730 2.393 1.00 0.15 H new ATOM 0 HG2 MET A 173 9.699 -6.387 0.180 1.00 0.17 H new ATOM 0 HG3 MET A 173 9.493 -4.648 0.120 1.00 0.17 H new ATOM 0 HE1 MET A 173 12.901 -7.140 -1.669 1.00 0.26 H new ATOM 0 HE2 MET A 173 13.322 -6.441 -0.088 1.00 0.26 H new ATOM 0 HE3 MET A 173 11.918 -7.525 -0.236 1.00 0.26 H new ATOM 2723 N LYS A 174 13.690 -3.902 1.889 1.00 0.12 N ATOM 2724 CA LYS A 174 14.970 -3.385 1.376 1.00 0.19 C ATOM 2725 C LYS A 174 15.939 -4.373 0.672 1.00 0.16 C ATOM 2726 O LYS A 174 15.902 -5.598 0.813 1.00 0.17 O ATOM 2727 CB LYS A 174 15.721 -2.633 2.520 1.00 0.38 C ATOM 2728 CG LYS A 174 16.501 -3.544 3.504 1.00 0.54 C ATOM 2729 CD LYS A 174 17.158 -2.776 4.684 1.00 0.57 C ATOM 2730 CE LYS A 174 18.477 -2.076 4.294 1.00 0.49 C ATOM 2731 NZ LYS A 174 19.494 -3.042 3.792 1.00 1.26 N ATOM 0 H LYS A 174 13.767 -4.658 2.569 1.00 0.12 H new ATOM 0 HA LYS A 174 14.664 -2.729 0.561 1.00 0.19 H new ATOM 0 HB2 LYS A 174 16.420 -1.926 2.072 1.00 0.38 H new ATOM 0 HB3 LYS A 174 14.996 -2.049 3.087 1.00 0.38 H new ATOM 0 HG2 LYS A 174 15.821 -4.295 3.906 1.00 0.54 H new ATOM 0 HG3 LYS A 174 17.276 -4.077 2.954 1.00 0.54 H new ATOM 0 HD2 LYS A 174 16.456 -2.031 5.060 1.00 0.57 H new ATOM 0 HD3 LYS A 174 17.351 -3.473 5.500 1.00 0.57 H new ATOM 0 HE2 LYS A 174 18.277 -1.328 3.527 1.00 0.49 H new ATOM 0 HE3 LYS A 174 18.876 -1.546 5.159 1.00 0.49 H new ATOM 0 HZ1 LYS A 174 20.441 -2.617 3.862 1.00 1.26 H new ATOM 0 HZ2 LYS A 174 19.461 -3.910 4.364 1.00 1.26 H new ATOM 0 HZ3 LYS A 174 19.291 -3.275 2.799 1.00 1.26 H new ATOM 2745 N GLY A 175 16.803 -3.700 -0.090 1.00 0.14 N ATOM 2746 CA GLY A 175 17.949 -4.236 -0.829 1.00 0.15 C ATOM 2747 C GLY A 175 17.842 -4.394 -2.360 1.00 0.13 C ATOM 2748 O GLY A 175 18.748 -3.873 -3.026 1.00 0.17 O ATOM 0 H GLY A 175 16.714 -2.692 -0.216 1.00 0.14 H new ATOM 0 HA2 GLY A 175 18.804 -3.592 -0.623 1.00 0.15 H new ATOM 0 HA3 GLY A 175 18.181 -5.216 -0.412 1.00 0.15 H new ATOM 2752 N THR A 176 16.684 -4.886 -2.931 1.00 0.11 N ATOM 2753 CA THR A 176 16.516 -5.088 -4.425 1.00 0.10 C ATOM 2754 C THR A 176 15.105 -5.592 -4.810 1.00 0.10 C ATOM 2755 O THR A 176 14.418 -6.256 -4.023 1.00 0.13 O ATOM 2756 CB THR A 176 17.532 -6.103 -5.100 1.00 0.12 C ATOM 2757 OG1 THR A 176 18.098 -7.037 -4.158 1.00 0.15 O ATOM 2758 CG2 THR A 176 18.671 -5.402 -5.879 1.00 0.15 C ATOM 0 H THR A 176 15.862 -5.148 -2.387 1.00 0.11 H new ATOM 0 HA THR A 176 16.710 -4.083 -4.800 1.00 0.10 H new ATOM 0 HB THR A 176 16.925 -6.657 -5.816 1.00 0.12 H new ATOM 0 HG1 THR A 176 18.714 -7.639 -4.625 1.00 0.15 H new ATOM 0 HG21 THR A 176 19.329 -6.153 -6.315 1.00 0.15 H new ATOM 0 HG22 THR A 176 18.245 -4.788 -6.673 1.00 0.15 H new ATOM 0 HG23 THR A 176 19.242 -4.770 -5.199 1.00 0.15 H new ATOM 2766 N ALA A 177 14.694 -5.273 -6.082 1.00 0.10 N ATOM 2767 CA ALA A 177 13.388 -5.693 -6.692 1.00 0.11 C ATOM 2768 C ALA A 177 13.333 -7.201 -7.163 1.00 0.15 C ATOM 2769 O ALA A 177 12.249 -7.735 -7.452 1.00 0.17 O ATOM 2770 CB ALA A 177 13.061 -4.739 -7.867 1.00 0.15 C ATOM 0 H ALA A 177 15.265 -4.713 -6.715 1.00 0.10 H new ATOM 0 HA ALA A 177 12.635 -5.623 -5.907 1.00 0.11 H new ATOM 0 HB1 ALA A 177 12.114 -5.032 -8.321 1.00 0.15 H new ATOM 0 HB2 ALA A 177 12.985 -3.717 -7.496 1.00 0.15 H new ATOM 0 HB3 ALA A 177 13.854 -4.796 -8.613 1.00 0.15 H new ATOM 2776 N ASP A 178 14.509 -7.891 -7.205 1.00 0.19 N ATOM 2777 CA ASP A 178 14.611 -9.333 -7.584 1.00 0.24 C ATOM 2778 C ASP A 178 14.434 -10.327 -6.379 1.00 0.26 C ATOM 2779 O ASP A 178 14.553 -11.544 -6.557 1.00 0.31 O ATOM 2780 CB ASP A 178 15.964 -9.596 -8.268 1.00 0.31 C ATOM 2781 CG ASP A 178 15.891 -9.516 -9.789 1.00 0.42 C ATOM 2782 OD1 ASP A 178 15.576 -10.544 -10.425 1.00 0.55 O ATOM 2783 OD2 ASP A 178 16.150 -8.424 -10.340 1.00 0.51 O ATOM 0 H ASP A 178 15.408 -7.467 -6.979 1.00 0.19 H new ATOM 0 HA ASP A 178 13.783 -9.525 -8.266 1.00 0.24 H new ATOM 0 HB2 ASP A 178 16.694 -8.872 -7.907 1.00 0.31 H new ATOM 0 HB3 ASP A 178 16.325 -10.583 -7.979 1.00 0.31 H new ATOM 2788 N ASP A 179 14.143 -9.789 -5.167 1.00 0.24 N ATOM 2789 CA ASP A 179 13.941 -10.594 -3.933 1.00 0.31 C ATOM 2790 C ASP A 179 12.448 -10.692 -3.483 1.00 0.32 C ATOM 2791 O ASP A 179 12.134 -11.467 -2.579 1.00 0.44 O ATOM 2792 CB ASP A 179 14.778 -10.010 -2.784 1.00 0.37 C ATOM 2793 CG ASP A 179 16.137 -10.684 -2.628 1.00 0.48 C ATOM 2794 OD1 ASP A 179 17.095 -10.254 -3.304 1.00 0.52 O ATOM 2795 OD2 ASP A 179 16.237 -11.642 -1.832 1.00 0.60 O ATOM 0 H ASP A 179 14.042 -8.785 -5.017 1.00 0.24 H new ATOM 0 HA ASP A 179 14.265 -11.606 -4.176 1.00 0.31 H new ATOM 0 HB2 ASP A 179 14.926 -8.944 -2.956 1.00 0.37 H new ATOM 0 HB3 ASP A 179 14.222 -10.108 -1.852 1.00 0.37 H new ATOM 2800 N VAL A 180 11.548 -9.883 -4.108 1.00 0.24 N ATOM 2801 CA VAL A 180 10.067 -9.881 -3.816 1.00 0.29 C ATOM 2802 C VAL A 180 9.279 -10.906 -4.721 1.00 0.50 C ATOM 2803 O VAL A 180 8.906 -10.558 -5.848 1.00 0.95 O ATOM 2804 CB VAL A 180 9.335 -8.449 -3.947 1.00 0.27 C ATOM 2805 CG1 VAL A 180 9.060 -7.834 -2.566 1.00 0.48 C ATOM 2806 CG2 VAL A 180 10.062 -7.380 -4.817 1.00 0.50 C ATOM 0 H VAL A 180 11.817 -9.212 -4.828 1.00 0.24 H new ATOM 0 HA VAL A 180 10.032 -10.174 -2.767 1.00 0.29 H new ATOM 0 HB VAL A 180 8.412 -8.696 -4.472 1.00 0.27 H new ATOM 0 HG11 VAL A 180 8.566 -6.870 -2.689 1.00 0.48 H new ATOM 0 HG12 VAL A 180 8.416 -8.501 -1.992 1.00 0.48 H new ATOM 0 HG13 VAL A 180 10.002 -7.694 -2.036 1.00 0.48 H new ATOM 0 HG21 VAL A 180 9.475 -6.461 -4.830 1.00 0.50 H new ATOM 0 HG22 VAL A 180 11.046 -7.176 -4.396 1.00 0.50 H new ATOM 0 HG23 VAL A 180 10.174 -7.754 -5.835 1.00 0.50 H new ATOM 2816 N PRO A 181 9.021 -12.186 -4.254 1.00 0.59 N ATOM 2817 CA PRO A 181 8.277 -13.196 -5.048 1.00 0.75 C ATOM 2818 C PRO A 181 6.758 -13.275 -4.749 1.00 1.31 C ATOM 2819 O PRO A 181 6.291 -12.795 -3.713 1.00 1.80 O ATOM 2820 CB PRO A 181 8.981 -14.497 -4.630 1.00 1.20 C ATOM 2821 CG PRO A 181 9.334 -14.289 -3.173 1.00 1.57 C ATOM 2822 CD PRO A 181 9.487 -12.777 -2.970 1.00 1.05 C ATOM 0 HA PRO A 181 8.299 -12.965 -6.113 1.00 0.75 H new ATOM 0 HB2 PRO A 181 8.329 -15.360 -4.760 1.00 1.20 H new ATOM 0 HB3 PRO A 181 9.872 -14.677 -5.232 1.00 1.20 H new ATOM 0 HG2 PRO A 181 8.555 -14.690 -2.525 1.00 1.57 H new ATOM 0 HG3 PRO A 181 10.258 -14.809 -2.920 1.00 1.57 H new ATOM 0 HD2 PRO A 181 8.888 -12.426 -2.130 1.00 1.05 H new ATOM 0 HD3 PRO A 181 10.522 -12.506 -2.760 1.00 1.05 H new ATOM 2830 N MET A 182 6.015 -13.891 -5.687 1.00 1.54 N ATOM 2831 CA MET A 182 4.555 -14.060 -5.569 1.00 2.26 C ATOM 2832 C MET A 182 4.135 -15.509 -5.872 1.00 2.40 C ATOM 2833 O MET A 182 4.346 -16.013 -6.983 1.00 2.49 O ATOM 2834 CB MET A 182 3.819 -13.102 -6.528 1.00 2.82 C ATOM 2835 CG MET A 182 3.833 -11.624 -6.095 1.00 3.46 C ATOM 2836 SD MET A 182 2.831 -11.321 -4.624 1.00 4.01 S ATOM 2837 CE MET A 182 2.962 -9.540 -4.470 1.00 4.96 C ATOM 0 H MET A 182 6.407 -14.283 -6.543 1.00 1.54 H new ATOM 0 HA MET A 182 4.280 -13.824 -4.541 1.00 2.26 H new ATOM 0 HB2 MET A 182 4.271 -13.181 -7.517 1.00 2.82 H new ATOM 0 HB3 MET A 182 2.784 -13.429 -6.623 1.00 2.82 H new ATOM 0 HG2 MET A 182 4.860 -11.316 -5.900 1.00 3.46 H new ATOM 0 HG3 MET A 182 3.465 -11.006 -6.914 1.00 3.46 H new ATOM 0 HE1 MET A 182 2.392 -9.207 -3.603 1.00 4.96 H new ATOM 0 HE2 MET A 182 4.008 -9.262 -4.345 1.00 4.96 H new ATOM 0 HE3 MET A 182 2.565 -9.067 -5.368 1.00 4.96 H new ATOM 2847 N LEU A 183 3.530 -16.166 -4.868 1.00 2.65 N ATOM 2848 CA LEU A 183 3.071 -17.564 -4.999 1.00 2.86 C ATOM 2849 C LEU A 183 1.589 -17.747 -4.606 1.00 3.61 C ATOM 2850 O LEU A 183 0.982 -16.911 -3.922 1.00 4.00 O ATOM 2851 CB LEU A 183 3.941 -18.506 -4.127 1.00 2.51 C ATOM 2852 CG LEU A 183 5.404 -18.735 -4.602 1.00 2.24 C ATOM 2853 CD1 LEU A 183 6.341 -18.971 -3.418 1.00 2.43 C ATOM 2854 CD2 LEU A 183 5.504 -19.913 -5.575 1.00 2.58 C ATOM 0 H LEU A 183 3.346 -15.752 -3.954 1.00 2.65 H new ATOM 0 HA LEU A 183 3.173 -17.821 -6.053 1.00 2.86 H new ATOM 0 HB2 LEU A 183 3.970 -18.104 -3.114 1.00 2.51 H new ATOM 0 HB3 LEU A 183 3.445 -19.475 -4.071 1.00 2.51 H new ATOM 0 HG LEU A 183 5.711 -17.827 -5.122 1.00 2.24 H new ATOM 0 HD11 LEU A 183 7.356 -19.128 -3.783 1.00 2.43 H new ATOM 0 HD12 LEU A 183 6.322 -18.102 -2.760 1.00 2.43 H new ATOM 0 HD13 LEU A 183 6.014 -19.852 -2.865 1.00 2.43 H new ATOM 0 HD21 LEU A 183 6.541 -20.042 -5.885 1.00 2.58 H new ATOM 0 HD22 LEU A 183 5.156 -20.822 -5.083 1.00 2.58 H new ATOM 0 HD23 LEU A 183 4.886 -19.715 -6.451 1.00 2.58 H new ATOM 2866 N GLN A 184 1.031 -18.885 -5.051 1.00 3.87 N ATOM 2867 CA GLN A 184 -0.366 -19.281 -4.770 1.00 4.58 C ATOM 2868 C GLN A 184 -0.416 -20.385 -3.671 1.00 4.68 C ATOM 2869 O GLN A 184 0.592 -21.077 -3.458 1.00 4.25 O ATOM 2870 CB GLN A 184 -1.004 -19.804 -6.075 1.00 4.95 C ATOM 2871 CG GLN A 184 -1.569 -18.714 -6.997 1.00 5.32 C ATOM 2872 CD GLN A 184 -2.148 -19.282 -8.279 1.00 5.82 C ATOM 2873 OE1 GLN A 184 -1.447 -19.427 -9.280 1.00 6.06 O ATOM 2874 NE2 GLN A 184 -3.437 -19.607 -8.255 1.00 6.27 N ATOM 0 H GLN A 184 1.537 -19.563 -5.620 1.00 3.87 H new ATOM 0 HA GLN A 184 -0.920 -18.417 -4.404 1.00 4.58 H new ATOM 0 HB2 GLN A 184 -0.256 -20.374 -6.626 1.00 4.95 H new ATOM 0 HB3 GLN A 184 -1.807 -20.496 -5.819 1.00 4.95 H new ATOM 0 HG2 GLN A 184 -2.343 -18.159 -6.467 1.00 5.32 H new ATOM 0 HG3 GLN A 184 -0.779 -18.004 -7.242 1.00 5.32 H new ATOM 0 HE21 GLN A 184 -3.982 -19.470 -7.403 1.00 6.27 H new ATOM 0 HE22 GLN A 184 -3.881 -19.993 -9.088 1.00 6.27 H new ATOM 2883 N PRO A 185 -1.579 -20.592 -2.936 1.00 5.36 N ATOM 2884 CA PRO A 185 -1.677 -21.636 -1.857 1.00 5.62 C ATOM 2885 C PRO A 185 -1.611 -23.098 -2.347 1.00 5.52 C ATOM 2886 O PRO A 185 -2.428 -23.537 -3.165 1.00 5.77 O ATOM 2887 CB PRO A 185 -3.058 -21.385 -1.224 1.00 6.42 C ATOM 2888 CG PRO A 185 -3.845 -20.686 -2.301 1.00 6.59 C ATOM 2889 CD PRO A 185 -2.841 -19.807 -3.028 1.00 5.99 C ATOM 0 HA PRO A 185 -0.825 -21.538 -1.184 1.00 5.62 H new ATOM 0 HB2 PRO A 185 -3.534 -22.319 -0.927 1.00 6.42 H new ATOM 0 HB3 PRO A 185 -2.978 -20.770 -0.328 1.00 6.42 H new ATOM 0 HG2 PRO A 185 -4.304 -21.404 -2.981 1.00 6.59 H new ATOM 0 HG3 PRO A 185 -4.652 -20.091 -1.874 1.00 6.59 H new ATOM 0 HD2 PRO A 185 -3.133 -19.632 -4.064 1.00 5.99 H new ATOM 0 HD3 PRO A 185 -2.744 -18.830 -2.555 1.00 5.99 H new ATOM 2897 N HIS A 186 -0.614 -23.820 -1.827 1.00 5.25 N ATOM 2898 CA HIS A 186 -0.395 -25.217 -2.182 1.00 5.19 C ATOM 2899 C HIS A 186 -0.085 -26.081 -0.911 1.00 5.51 C ATOM 2900 O HIS A 186 0.715 -25.660 -0.064 1.00 5.51 O ATOM 2901 CB HIS A 186 0.751 -25.304 -3.227 1.00 4.55 C ATOM 2902 CG HIS A 186 0.735 -26.562 -4.066 1.00 4.63 C ATOM 2903 ND1 HIS A 186 0.936 -27.817 -3.536 1.00 4.77 N ATOM 2904 CD2 HIS A 186 0.478 -26.759 -5.385 1.00 4.82 C ATOM 2905 CE1 HIS A 186 0.796 -28.727 -4.472 1.00 4.89 C ATOM 2906 NE2 HIS A 186 0.521 -28.115 -5.610 1.00 4.96 N ATOM 0 H HIS A 186 0.057 -23.452 -1.153 1.00 5.25 H new ATOM 0 HA HIS A 186 -1.305 -25.624 -2.624 1.00 5.19 H new ATOM 0 HB2 HIS A 186 0.690 -24.440 -3.888 1.00 4.55 H new ATOM 0 HB3 HIS A 186 1.707 -25.241 -2.707 1.00 4.55 H new ATOM 0 HD2 HIS A 186 0.277 -25.994 -6.120 1.00 4.82 H new ATOM 0 HE1 HIS A 186 0.890 -29.794 -4.335 1.00 4.89 H new ATOM 0 HE2 HIS A 186 0.366 -28.573 -6.508 1.00 4.96 H new ATOM 2915 N PRO A 187 -0.697 -27.321 -0.757 1.00 5.90 N ATOM 2916 CA PRO A 187 -0.467 -28.228 0.434 1.00 6.31 C ATOM 2917 C PRO A 187 0.855 -29.046 0.443 1.00 6.06 C ATOM 2918 O PRO A 187 1.285 -29.521 1.498 1.00 5.96 O ATOM 2919 CB PRO A 187 -1.638 -29.219 0.307 1.00 6.77 C ATOM 2920 CG PRO A 187 -1.821 -29.344 -1.175 1.00 6.43 C ATOM 2921 CD PRO A 187 -1.725 -27.917 -1.668 1.00 6.09 C ATOM 0 HA PRO A 187 -0.402 -27.628 1.341 1.00 6.31 H new ATOM 0 HB2 PRO A 187 -1.404 -30.179 0.766 1.00 6.77 H new ATOM 0 HB3 PRO A 187 -2.538 -28.843 0.794 1.00 6.77 H new ATOM 0 HG2 PRO A 187 -1.053 -29.975 -1.622 1.00 6.43 H new ATOM 0 HG3 PRO A 187 -2.784 -29.790 -1.424 1.00 6.43 H new ATOM 0 HD2 PRO A 187 -1.416 -27.870 -2.712 1.00 6.09 H new ATOM 0 HD3 PRO A 187 -2.681 -27.398 -1.594 1.00 6.09 H new ATOM 2929 N GLY A 188 1.476 -29.196 -0.739 1.00 6.19 N ATOM 2930 CA GLY A 188 2.702 -29.983 -0.873 1.00 6.09 C ATOM 2931 C GLY A 188 3.966 -29.178 -1.202 1.00 6.57 C ATOM 2932 O GLY A 188 4.865 -29.075 -0.363 1.00 7.02 O ATOM 0 H GLY A 188 1.146 -28.782 -1.611 1.00 6.19 H new ATOM 0 HA2 GLY A 188 2.869 -30.526 0.057 1.00 6.09 H new ATOM 0 HA3 GLY A 188 2.552 -30.728 -1.654 1.00 6.09 H new ATOM 2936 N LEU A 189 4.031 -28.609 -2.423 1.00 6.77 N ATOM 2937 CA LEU A 189 5.201 -27.827 -2.872 1.00 7.51 C ATOM 2938 C LEU A 189 4.853 -26.346 -3.139 1.00 7.90 C ATOM 2939 O LEU A 189 3.890 -26.031 -3.849 1.00 7.97 O ATOM 2940 CB LEU A 189 5.796 -28.467 -4.148 1.00 7.96 C ATOM 2941 CG LEU A 189 7.265 -28.091 -4.505 1.00 8.35 C ATOM 2942 CD1 LEU A 189 8.275 -29.014 -3.814 1.00 8.85 C ATOM 2943 CD2 LEU A 189 7.491 -28.122 -6.017 1.00 8.99 C ATOM 0 H LEU A 189 3.286 -28.677 -3.116 1.00 6.77 H new ATOM 0 HA LEU A 189 5.935 -27.845 -2.067 1.00 7.51 H new ATOM 0 HB2 LEU A 189 5.739 -29.550 -4.042 1.00 7.96 H new ATOM 0 HB3 LEU A 189 5.162 -28.195 -4.992 1.00 7.96 H new ATOM 0 HG LEU A 189 7.425 -27.076 -4.142 1.00 8.35 H new ATOM 0 HD11 LEU A 189 9.287 -28.717 -4.090 1.00 8.85 H new ATOM 0 HD12 LEU A 189 8.157 -28.939 -2.733 1.00 8.85 H new ATOM 0 HD13 LEU A 189 8.101 -30.043 -4.127 1.00 8.85 H new ATOM 0 HD21 LEU A 189 8.525 -27.855 -6.236 1.00 8.99 H new ATOM 0 HD22 LEU A 189 7.287 -29.124 -6.395 1.00 8.99 H new ATOM 0 HD23 LEU A 189 6.823 -27.409 -6.499 1.00 8.99 H new ATOM 2955 N GLU A 190 5.678 -25.446 -2.572 1.00 8.45 N ATOM 2956 CA GLU A 190 5.496 -23.993 -2.718 1.00 9.15 C ATOM 2957 C GLU A 190 6.751 -23.331 -3.308 1.00 10.12 C ATOM 2958 O GLU A 190 7.664 -22.990 -2.527 1.00 10.56 O ATOM 2959 CB GLU A 190 5.172 -23.352 -1.354 1.00 9.15 C ATOM 2960 CG GLU A 190 3.785 -23.694 -0.793 1.00 8.88 C ATOM 2961 CD GLU A 190 3.567 -23.126 0.597 1.00 9.20 C ATOM 2962 OE1 GLU A 190 3.183 -21.942 0.701 1.00 9.58 O ATOM 2963 OE2 GLU A 190 3.784 -23.864 1.581 1.00 9.27 O ATOM 2964 OXT GLU A 190 6.807 -23.168 -4.546 1.00 10.60 O ATOM 0 H GLU A 190 6.484 -25.705 -2.003 1.00 8.45 H new ATOM 0 HA GLU A 190 4.663 -23.832 -3.403 1.00 9.15 H new ATOM 0 HB2 GLU A 190 5.927 -23.665 -0.633 1.00 9.15 H new ATOM 0 HB3 GLU A 190 5.253 -22.269 -1.449 1.00 9.15 H new ATOM 0 HG2 GLU A 190 3.019 -23.307 -1.465 1.00 8.88 H new ATOM 0 HG3 GLU A 190 3.665 -24.777 -0.763 1.00 8.88 H new TER 2971 GLU A 190 HETATM 2972 C1 GLC A 191 -19.594 5.444 3.339 1.00 1.34 C HETATM 2973 C2 GLC A 191 -18.283 5.279 2.468 1.00 1.55 C HETATM 2974 C3 GLC A 191 -17.952 3.732 2.256 1.00 1.62 C HETATM 2975 C4 GLC A 191 -17.988 2.894 3.612 1.00 1.59 C HETATM 2976 C5 GLC A 191 -19.373 3.136 4.358 1.00 1.39 C HETATM 2977 C6 GLC A 191 -19.478 2.517 5.782 1.00 1.49 C HETATM 2978 O2 GLC A 191 -18.493 5.845 1.173 1.00 1.64 O HETATM 2979 O3 GLC A 191 -16.650 3.622 1.684 1.00 1.88 O HETATM 2980 O4 GLC A 191 -17.807 1.503 3.319 1.00 1.73 O HETATM 2981 O5 GLC A 191 -19.447 4.610 4.559 1.00 1.36 O HETATM 2982 O6 GLC A 191 -20.135 3.317 6.756 1.00 1.50 O HETATM 0 HO6 GLC A 191 -20.145 4.251 6.460 1.00 1.50 H new HETATM 0 HO4 GLC A 191 -18.440 1.230 2.623 1.00 1.73 H new HETATM 0 HO3 GLC A 191 -16.431 2.676 1.549 1.00 1.88 H new HETATM 0 HO2 GLC A 191 -19.454 5.891 0.988 1.00 1.64 H new HETATM 0 H62 GLC A 191 -20.004 1.565 5.706 1.00 1.49 H new HETATM 0 H61 GLC A 191 -18.471 2.298 6.138 1.00 1.49 H new HETATM 0 H5 GLC A 191 -20.156 2.679 3.753 1.00 1.39 H new HETATM 0 H4 GLC A 191 -17.181 3.222 4.268 1.00 1.59 H new HETATM 0 H3 GLC A 191 -18.720 3.320 1.601 1.00 1.62 H new HETATM 0 H2 GLC A 191 -17.465 5.778 2.988 1.00 1.55 H new HETATM 2994 C2 BGC A 192 -23.742 7.558 1.747 1.00 1.56 C HETATM 2995 C3 BGC A 192 -22.378 6.761 1.579 1.00 1.44 C HETATM 2996 C4 BGC A 192 -22.014 5.872 2.862 1.00 1.26 C HETATM 2997 C5 BGC A 192 -23.257 4.920 3.192 1.00 1.30 C HETATM 2998 C6 BGC A 192 -23.110 4.081 4.497 1.00 1.26 C HETATM 2999 C1 BGC A 192 -24.853 6.577 2.241 1.00 1.63 C HETATM 3000 O1 BGC A 192 -26.010 7.260 2.602 1.00 1.86 O HETATM 3001 O2 BGC A 192 -24.130 8.138 0.501 1.00 1.78 O HETATM 3002 O3 BGC A 192 -21.330 7.699 1.349 1.00 1.54 O HETATM 3003 O4 BGC A 192 -20.785 5.079 2.605 1.00 1.27 O HETATM 3004 O5 BGC A 192 -24.400 5.841 3.442 1.00 1.47 O HETATM 3005 O6 BGC A 192 -24.256 4.027 5.335 1.00 1.46 O HETATM 0 H6C2 BGC A 192 -22.837 3.062 4.222 1.00 1.26 H new HETATM 0 H6C1 BGC A 192 -22.280 4.488 5.075 1.00 1.26 H new HETATM 0 HC BGC A 192 -21.688 8.481 0.879 1.00 1.54 H new HETATM 0 HB BGC A 192 -24.972 8.625 0.615 1.00 1.78 H new HETATM 0 HA BGC A 192 -26.687 6.619 2.906 1.00 1.86 H new HETATM 0 H6 BGC A 192 -24.900 4.709 5.052 1.00 1.46 H new HETATM 0 H5 BGC A 192 -23.364 4.220 2.363 1.00 1.30 H new HETATM 0 H4 BGC A 192 -21.817 6.514 3.720 1.00 1.26 H new HETATM 0 H3 BGC A 192 -22.495 6.078 0.738 1.00 1.44 H new HETATM 0 H2 BGC A 192 -23.605 8.356 2.477 1.00 1.56 H new HETATM 0 H1 BGC A 192 -25.056 5.896 1.414 1.00 1.63 H new