USER MOD reduce.3.24.130724 H: found=0, std=0, add=1045, rem=0, adj=52 USER MOD reduce.3.24.130724 removed 1045 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 LYS NZ :NH3+ -158:sc= 0.292 (180deg=-0.316) USER MOD Set 1.2: A 75 TYR OH : rot 180:sc= 0.0208 USER MOD Set 2.1: A 38 ASN : amide:sc= 0.0843 K(o=0.35,f=-5.7!) USER MOD Set 2.2: A 42 THR OG1 : rot 180:sc= 0.261 USER MOD Set 3.1: A 32 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 36 TYR OH : rot 180:sc= 0.481 USER MOD Set 3.3: A 77 SER OG : rot 6:sc= 1.16 USER MOD Set 3.4: A 81 GLN :FLIP amide:sc= -0.447! F(o=0.05,f=1.2!) USER MOD Set 4.1: A 16 GLN : amide:sc= 0 X(o=-0.0015,f=-0.22) USER MOD Set 4.2: A 19 THR OG1 : rot 180:sc=-0.00151 USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0488 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.23 X(o=-0.23,f=-0.24) USER MOD Single : A 3 MET CE :methyl 161:sc= -2.34! (180deg=-3.55!) USER MOD Single : A 4 GLN :FLIP amide:sc= -0.28 F(o=-1.2,f=-0.28) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -125:sc= 0.718 (180deg=-1.88!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00621 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.123 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.603 USER MOD Single : A 21 ASN : amide:sc= 0.52 K(o=0.52,f=-0.31) USER MOD Single : A 22 GLN :FLIP amide:sc= -2.4! C(o=-5.6!,f=-2.4!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -3.91! C(o=-3.9!,f=-6.3!) USER MOD Single : A 30 THR OG1 : rot 95:sc= 1.22 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.28 USER MOD Single : A 39 SER OG : rot 180:sc= 0.00512 USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 41 LYS NZ :NH3+ 160:sc= -1.08! (180deg=-1.24!) USER MOD Single : A 45 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.0649) USER MOD Single : A 46 ASN :FLIP amide:sc= -1.94 F(o=-4.1!,f=-1.9) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN :FLIP amide:sc= -0.32 F(o=-2.1,f=-0.32) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.00059) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -166:sc= -0.0279 (180deg=-0.252) USER MOD Single : A 65 SER OG : rot 81:sc= 0.07 USER MOD Single : A 68 HIS :FLIP no HE2:sc= -8.31! C(o=-9.4!,f=-8.3!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -156:sc= -0.0877 (180deg=-0.477) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -152:sc= -0.219 (180deg=-0.592) USER MOD Single : A 80 THR OG1 : rot 63:sc= 1.28 USER MOD Single : A 83 LYS NZ :NH3+ -169:sc= -2.68! (180deg=-2.88!) USER MOD Single : A 86 GLN :FLIP amide:sc= -1.11 F(o=-2!,f=-1.1) USER MOD Single : A 89 ASN : amide:sc= -8! C(o=-8!,f=-13!) USER MOD Single : A 91 GLN : amide:sc= -0.0429 K(o=-0.043,f=-10!) USER MOD Single : A 94 LYS NZ :NH3+ -121:sc= 0.452 (180deg=-1.23!) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc=-0.00981 K(o=-0.0098,f=-0.9) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -165:sc= 1.06 (180deg=0.858) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0867) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -175:sc= 0.883 (180deg=0.867) USER MOD Single : A 119 THR OG1 : rot -75:sc= 0.0741! USER MOD Single : A 121 ASN : amide:sc= -4.21! C(o=-4.2!,f=-8.2!) USER MOD Single : A 122 THR OG1 : rot 180:sc=0.000859 USER MOD Single : A 126 LYS NZ :NH3+ 168:sc= -0.0117 (180deg=-0.189) USER MOD Single : A 130 LYS NZ :NH3+ -150:sc= -0.144 (180deg=-0.792) USER MOD Single : A 133 SER OG : rot 74:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -39.273 -8.929 3.416 1.00 22.48 N ATOM 2 CA GLY A 1 -38.851 -7.652 2.798 1.00 22.34 C ATOM 3 C GLY A 1 -39.953 -7.036 1.964 1.00 22.10 C ATOM 4 O GLY A 1 -41.136 -7.262 2.229 1.00 22.12 O ATOM 0 H1 GLY A 1 -39.037 -8.919 4.429 1.00 22.48 H new ATOM 0 H2 GLY A 1 -40.300 -9.048 3.301 1.00 22.48 H new ATOM 0 H3 GLY A 1 -38.779 -9.719 2.953 1.00 22.48 H new ATOM 0 HA2 GLY A 1 -38.553 -6.952 3.579 1.00 22.34 H new ATOM 0 HA3 GLY A 1 -37.975 -7.824 2.172 1.00 22.34 H new ATOM 10 N HIS A 2 -39.557 -6.267 0.950 1.00 21.98 N ATOM 11 CA HIS A 2 -40.494 -5.586 0.058 1.00 21.88 C ATOM 12 C HIS A 2 -41.409 -4.659 0.856 1.00 21.50 C ATOM 13 O HIS A 2 -42.630 -4.685 0.716 1.00 21.64 O ATOM 14 CB HIS A 2 -41.310 -6.602 -0.758 1.00 22.32 C ATOM 15 CG HIS A 2 -42.146 -5.986 -1.844 1.00 22.67 C ATOM 16 ND1 HIS A 2 -43.518 -6.076 -1.880 1.00 22.91 N ATOM 17 CD2 HIS A 2 -41.792 -5.275 -2.941 1.00 22.94 C ATOM 18 CE1 HIS A 2 -43.974 -5.451 -2.946 1.00 23.31 C ATOM 19 NE2 HIS A 2 -42.947 -4.954 -3.608 1.00 23.33 N ATOM 0 H HIS A 2 -38.577 -6.099 0.724 1.00 21.98 H new ATOM 0 HA HIS A 2 -39.923 -4.979 -0.645 1.00 21.88 H new ATOM 0 HB2 HIS A 2 -40.628 -7.325 -1.205 1.00 22.32 H new ATOM 0 HB3 HIS A 2 -41.962 -7.155 -0.082 1.00 22.32 H new ATOM 0 HD2 HIS A 2 -40.787 -5.010 -3.236 1.00 22.94 H new ATOM 0 HE1 HIS A 2 -45.012 -5.361 -3.230 1.00 23.31 H new ATOM 0 HE2 HIS A 2 -43.003 -4.418 -4.474 1.00 23.33 H new ATOM 28 N MET A 3 -40.805 -3.855 1.713 1.00 21.13 N ATOM 29 CA MET A 3 -41.543 -2.872 2.487 1.00 20.87 C ATOM 30 C MET A 3 -41.087 -1.470 2.115 1.00 20.26 C ATOM 31 O MET A 3 -40.438 -0.776 2.902 1.00 20.24 O ATOM 32 CB MET A 3 -41.372 -3.120 3.990 1.00 21.09 C ATOM 33 CG MET A 3 -42.040 -4.396 4.489 1.00 21.38 C ATOM 34 SD MET A 3 -43.774 -4.171 4.965 1.00 21.89 S ATOM 35 CE MET A 3 -44.550 -3.710 3.417 1.00 22.11 C ATOM 0 H MET A 3 -39.801 -3.864 1.891 1.00 21.13 H new ATOM 0 HA MET A 3 -42.603 -2.968 2.253 1.00 20.87 H new ATOM 0 HB2 MET A 3 -40.308 -3.165 4.221 1.00 21.09 H new ATOM 0 HB3 MET A 3 -41.781 -2.270 4.537 1.00 21.09 H new ATOM 0 HG2 MET A 3 -41.982 -5.155 3.709 1.00 21.38 H new ATOM 0 HG3 MET A 3 -41.483 -4.776 5.346 1.00 21.38 H new ATOM 0 HE1 MET A 3 -45.626 -3.871 3.487 1.00 22.11 H new ATOM 0 HE2 MET A 3 -44.354 -2.658 3.211 1.00 22.11 H new ATOM 0 HE3 MET A 3 -44.143 -4.320 2.610 1.00 22.11 H new ATOM 45 N GLN A 4 -41.416 -1.076 0.893 1.00 19.88 N ATOM 46 CA GLN A 4 -41.068 0.240 0.381 1.00 19.37 C ATOM 47 C GLN A 4 -41.935 1.290 1.065 1.00 18.69 C ATOM 48 O GLN A 4 -43.147 1.344 0.849 1.00 18.61 O ATOM 49 CB GLN A 4 -41.276 0.270 -1.141 1.00 19.44 C ATOM 50 CG GLN A 4 -40.439 1.306 -1.887 1.00 19.70 C ATOM 51 CD GLN A 4 -40.888 2.735 -1.663 1.00 20.20 C ATOM 52 OE1 GLN A 4 -41.812 3.198 -2.489 1.00 20.59 O flip ATOM 53 NE2 GLN A 4 -40.406 3.421 -0.763 1.00 20.31 N flip ATOM 0 H GLN A 4 -41.930 -1.658 0.231 1.00 19.88 H new ATOM 0 HA GLN A 4 -40.021 0.458 0.591 1.00 19.37 H new ATOM 0 HB2 GLN A 4 -41.048 -0.717 -1.543 1.00 19.44 H new ATOM 0 HB3 GLN A 4 -42.330 0.461 -1.345 1.00 19.44 H new ATOM 0 HG2 GLN A 4 -39.399 1.210 -1.577 1.00 19.70 H new ATOM 0 HG3 GLN A 4 -40.475 1.087 -2.954 1.00 19.70 H new ATOM 0 HE21 GLN A 4 -39.695 3.027 -0.147 1.00 20.31 H new ATOM 0 HE22 GLN A 4 -40.717 4.384 -0.633 1.00 20.31 H new ATOM 62 N VAL A 5 -41.317 2.102 1.904 1.00 18.32 N ATOM 63 CA VAL A 5 -42.038 3.126 2.636 1.00 17.78 C ATOM 64 C VAL A 5 -42.231 4.379 1.782 1.00 17.06 C ATOM 65 O VAL A 5 -41.345 5.226 1.669 1.00 16.99 O ATOM 66 CB VAL A 5 -41.338 3.477 3.971 1.00 18.09 C ATOM 67 CG1 VAL A 5 -41.527 2.348 4.972 1.00 18.26 C ATOM 68 CG2 VAL A 5 -39.851 3.751 3.768 1.00 18.37 C ATOM 0 H VAL A 5 -40.316 2.071 2.095 1.00 18.32 H new ATOM 0 HA VAL A 5 -43.021 2.719 2.876 1.00 17.78 H new ATOM 0 HB VAL A 5 -41.796 4.386 4.360 1.00 18.09 H new ATOM 0 HG11 VAL A 5 -41.031 2.605 5.908 1.00 18.26 H new ATOM 0 HG12 VAL A 5 -42.591 2.198 5.155 1.00 18.26 H new ATOM 0 HG13 VAL A 5 -41.095 1.431 4.572 1.00 18.26 H new ATOM 0 HG21 VAL A 5 -39.392 3.994 4.726 1.00 18.37 H new ATOM 0 HG22 VAL A 5 -39.372 2.866 3.350 1.00 18.37 H new ATOM 0 HG23 VAL A 5 -39.726 4.589 3.083 1.00 18.37 H new ATOM 78 N ALA A 6 -43.396 4.470 1.155 1.00 16.65 N ATOM 79 CA ALA A 6 -43.712 5.598 0.293 1.00 16.09 C ATOM 80 C ALA A 6 -44.585 6.607 1.024 1.00 15.56 C ATOM 81 O ALA A 6 -44.622 7.786 0.673 1.00 15.23 O ATOM 82 CB ALA A 6 -44.404 5.119 -0.973 1.00 16.02 C ATOM 0 H ALA A 6 -44.138 3.774 1.228 1.00 16.65 H new ATOM 0 HA ALA A 6 -42.779 6.089 0.017 1.00 16.09 H new ATOM 0 HB1 ALA A 6 -44.634 5.975 -1.608 1.00 16.02 H new ATOM 0 HB2 ALA A 6 -43.747 4.435 -1.510 1.00 16.02 H new ATOM 0 HB3 ALA A 6 -45.328 4.604 -0.710 1.00 16.02 H new ATOM 88 N ARG A 7 -45.280 6.144 2.047 1.00 15.63 N ATOM 89 CA ARG A 7 -46.134 7.015 2.832 1.00 15.34 C ATOM 90 C ARG A 7 -45.297 7.722 3.889 1.00 14.74 C ATOM 91 O ARG A 7 -45.474 8.911 4.153 1.00 14.45 O ATOM 92 CB ARG A 7 -47.263 6.199 3.477 1.00 15.83 C ATOM 93 CG ARG A 7 -48.440 7.031 3.970 1.00 16.12 C ATOM 94 CD ARG A 7 -48.148 7.737 5.283 1.00 16.49 C ATOM 95 NE ARG A 7 -49.196 8.693 5.629 1.00 16.78 N ATOM 96 CZ ARG A 7 -49.361 9.215 6.842 1.00 17.15 C ATOM 97 NH1 ARG A 7 -48.575 8.844 7.847 1.00 17.29 N1+ ATOM 98 NH2 ARG A 7 -50.319 10.108 7.051 1.00 17.53 N ATOM 0 H ARG A 7 -45.270 5.171 2.353 1.00 15.63 H new ATOM 0 HA ARG A 7 -46.588 7.767 2.186 1.00 15.34 H new ATOM 0 HB2 ARG A 7 -47.627 5.470 2.753 1.00 15.83 H new ATOM 0 HB3 ARG A 7 -46.854 5.637 4.317 1.00 15.83 H new ATOM 0 HG2 ARG A 7 -48.699 7.772 3.213 1.00 16.12 H new ATOM 0 HG3 ARG A 7 -49.309 6.386 4.094 1.00 16.12 H new ATOM 0 HD2 ARG A 7 -48.052 6.999 6.079 1.00 16.49 H new ATOM 0 HD3 ARG A 7 -47.192 8.256 5.212 1.00 16.49 H new ATOM 0 HE ARG A 7 -49.843 8.979 4.894 1.00 16.78 H new ATOM 0 HH11 ARG A 7 -47.839 8.155 7.691 1.00 17.29 H new ATOM 0 HH12 ARG A 7 -48.707 9.248 8.774 1.00 17.29 H new ATOM 0 HH21 ARG A 7 -50.927 10.393 6.283 1.00 17.53 H new ATOM 0 HH22 ARG A 7 -50.448 10.510 7.980 1.00 17.53 H new ATOM 112 N SER A 8 -44.371 6.981 4.470 1.00 14.73 N ATOM 113 CA SER A 8 -43.517 7.504 5.515 1.00 14.36 C ATOM 114 C SER A 8 -42.052 7.445 5.097 1.00 13.83 C ATOM 115 O SER A 8 -41.629 6.496 4.440 1.00 13.83 O ATOM 116 CB SER A 8 -43.744 6.705 6.802 1.00 14.71 C ATOM 117 OG SER A 8 -43.784 5.310 6.536 1.00 15.09 O ATOM 0 H SER A 8 -44.192 6.006 4.231 1.00 14.73 H new ATOM 0 HA SER A 8 -43.770 8.549 5.692 1.00 14.36 H new ATOM 0 HB2 SER A 8 -42.946 6.920 7.513 1.00 14.71 H new ATOM 0 HB3 SER A 8 -44.679 7.017 7.268 1.00 14.71 H new ATOM 0 HG SER A 8 -43.928 4.821 7.373 1.00 15.09 H new ATOM 123 N THR A 9 -41.294 8.480 5.461 1.00 13.57 N ATOM 124 CA THR A 9 -39.854 8.528 5.216 1.00 13.24 C ATOM 125 C THR A 9 -39.533 8.747 3.731 1.00 12.78 C ATOM 126 O THR A 9 -39.211 9.865 3.324 1.00 12.86 O ATOM 127 CB THR A 9 -39.164 7.240 5.720 1.00 13.31 C ATOM 128 OG1 THR A 9 -39.610 6.938 7.049 1.00 13.75 O ATOM 129 CG2 THR A 9 -37.652 7.391 5.719 1.00 13.07 C ATOM 0 H THR A 9 -41.661 9.306 5.933 1.00 13.57 H new ATOM 0 HA THR A 9 -39.466 9.380 5.774 1.00 13.24 H new ATOM 0 HB THR A 9 -39.431 6.427 5.045 1.00 13.31 H new ATOM 0 HG1 THR A 9 -39.171 6.120 7.363 1.00 13.75 H new ATOM 0 HG21 THR A 9 -37.194 6.469 6.078 1.00 13.07 H new ATOM 0 HG22 THR A 9 -37.308 7.596 4.705 1.00 13.07 H new ATOM 0 HG23 THR A 9 -37.368 8.216 6.373 1.00 13.07 H new ATOM 137 N LYS A 10 -39.646 7.682 2.933 1.00 12.51 N ATOM 138 CA LYS A 10 -39.319 7.715 1.505 1.00 12.26 C ATOM 139 C LYS A 10 -37.897 8.246 1.273 1.00 11.57 C ATOM 140 O LYS A 10 -37.681 9.168 0.484 1.00 11.56 O ATOM 141 CB LYS A 10 -40.342 8.564 0.733 1.00 12.85 C ATOM 142 CG LYS A 10 -40.283 8.361 -0.776 1.00 13.32 C ATOM 143 CD LYS A 10 -41.145 9.360 -1.542 1.00 13.86 C ATOM 144 CE LYS A 10 -42.630 9.193 -1.254 1.00 14.21 C ATOM 145 NZ LYS A 10 -43.056 9.919 -0.027 1.00 14.58 N1+ ATOM 0 H LYS A 10 -39.967 6.771 3.260 1.00 12.51 H new ATOM 0 HA LYS A 10 -39.363 6.693 1.130 1.00 12.26 H new ATOM 0 HB2 LYS A 10 -41.344 8.321 1.086 1.00 12.85 H new ATOM 0 HB3 LYS A 10 -40.172 9.617 0.957 1.00 12.85 H new ATOM 0 HG2 LYS A 10 -39.249 8.450 -1.110 1.00 13.32 H new ATOM 0 HG3 LYS A 10 -40.609 7.349 -1.015 1.00 13.32 H new ATOM 0 HD2 LYS A 10 -40.840 10.373 -1.281 1.00 13.86 H new ATOM 0 HD3 LYS A 10 -40.970 9.240 -2.611 1.00 13.86 H new ATOM 0 HE2 LYS A 10 -43.205 9.556 -2.106 1.00 14.21 H new ATOM 0 HE3 LYS A 10 -42.859 8.133 -1.143 1.00 14.21 H new ATOM 0 HZ1 LYS A 10 -43.524 9.256 0.624 1.00 14.58 H new ATOM 0 HZ2 LYS A 10 -42.223 10.332 0.439 1.00 14.58 H new ATOM 0 HZ3 LYS A 10 -43.720 10.677 -0.285 1.00 14.58 H new ATOM 159 N GLU A 11 -36.927 7.659 1.959 1.00 11.20 N ATOM 160 CA GLU A 11 -35.535 8.071 1.812 1.00 10.71 C ATOM 161 C GLU A 11 -34.775 7.130 0.885 1.00 9.66 C ATOM 162 O GLU A 11 -35.039 5.925 0.848 1.00 9.26 O ATOM 163 CB GLU A 11 -34.847 8.123 3.176 1.00 11.05 C ATOM 164 CG GLU A 11 -35.262 9.315 4.023 1.00 11.92 C ATOM 165 CD GLU A 11 -34.795 10.631 3.439 1.00 12.59 C ATOM 166 OE1 GLU A 11 -35.620 11.346 2.830 1.00 13.16 O ATOM 167 OE2 GLU A 11 -33.600 10.957 3.582 1.00 12.70 O1- ATOM 0 H GLU A 11 -37.076 6.898 2.622 1.00 11.20 H new ATOM 0 HA GLU A 11 -35.529 9.067 1.369 1.00 10.71 H new ATOM 0 HB2 GLU A 11 -35.070 7.206 3.721 1.00 11.05 H new ATOM 0 HB3 GLU A 11 -33.767 8.152 3.028 1.00 11.05 H new ATOM 0 HG2 GLU A 11 -36.348 9.328 4.119 1.00 11.92 H new ATOM 0 HG3 GLU A 11 -34.855 9.202 5.028 1.00 11.92 H new ATOM 174 N ILE A 12 -33.835 7.686 0.134 1.00 9.40 N ATOM 175 CA ILE A 12 -33.008 6.904 -0.769 1.00 8.58 C ATOM 176 C ILE A 12 -31.696 6.531 -0.095 1.00 8.21 C ATOM 177 O ILE A 12 -30.705 7.261 -0.179 1.00 8.57 O ATOM 178 CB ILE A 12 -32.703 7.675 -2.066 1.00 8.89 C ATOM 179 CG1 ILE A 12 -34.006 8.051 -2.776 1.00 9.53 C ATOM 180 CG2 ILE A 12 -31.810 6.841 -2.971 1.00 8.32 C ATOM 181 CD1 ILE A 12 -33.801 8.809 -4.069 1.00 10.10 C ATOM 0 H ILE A 12 -33.626 8.684 0.134 1.00 9.40 H new ATOM 0 HA ILE A 12 -33.566 6.002 -1.021 1.00 8.58 H new ATOM 0 HB ILE A 12 -32.174 8.595 -1.818 1.00 8.89 H new ATOM 0 HG12 ILE A 12 -34.570 7.142 -2.984 1.00 9.53 H new ATOM 0 HG13 ILE A 12 -34.614 8.656 -2.103 1.00 9.53 H new ATOM 0 HG21 ILE A 12 -31.600 7.395 -3.886 1.00 8.32 H new ATOM 0 HG22 ILE A 12 -30.874 6.622 -2.457 1.00 8.32 H new ATOM 0 HG23 ILE A 12 -32.315 5.908 -3.220 1.00 8.32 H new ATOM 0 HD11 ILE A 12 -34.769 9.040 -4.513 1.00 10.10 H new ATOM 0 HD12 ILE A 12 -33.265 9.736 -3.866 1.00 10.10 H new ATOM 0 HD13 ILE A 12 -33.221 8.198 -4.761 1.00 10.10 H new ATOM 193 N GLU A 13 -31.686 5.396 0.579 1.00 7.77 N ATOM 194 CA GLU A 13 -30.517 4.983 1.321 1.00 7.68 C ATOM 195 C GLU A 13 -30.063 3.596 0.910 1.00 6.98 C ATOM 196 O GLU A 13 -30.732 2.907 0.137 1.00 6.99 O ATOM 197 CB GLU A 13 -30.819 5.000 2.810 1.00 8.41 C ATOM 198 CG GLU A 13 -31.337 6.334 3.303 1.00 9.30 C ATOM 199 CD GLU A 13 -31.456 6.391 4.810 1.00 10.20 C ATOM 200 OE1 GLU A 13 -30.482 6.809 5.470 1.00 10.61 O ATOM 201 OE2 GLU A 13 -32.527 6.030 5.344 1.00 10.66 O1- ATOM 0 H GLU A 13 -32.472 4.748 0.626 1.00 7.77 H new ATOM 0 HA GLU A 13 -29.713 5.684 1.099 1.00 7.68 H new ATOM 0 HB2 GLU A 13 -31.555 4.228 3.033 1.00 8.41 H new ATOM 0 HB3 GLU A 13 -29.913 4.745 3.360 1.00 8.41 H new ATOM 0 HG2 GLU A 13 -30.669 7.126 2.965 1.00 9.30 H new ATOM 0 HG3 GLU A 13 -32.313 6.528 2.858 1.00 9.30 H new ATOM 208 N THR A 14 -28.923 3.198 1.438 1.00 6.67 N ATOM 209 CA THR A 14 -28.361 1.897 1.158 1.00 6.26 C ATOM 210 C THR A 14 -28.386 1.015 2.402 1.00 5.40 C ATOM 211 O THR A 14 -27.400 0.923 3.135 1.00 5.42 O ATOM 212 CB THR A 14 -26.920 2.033 0.636 1.00 6.72 C ATOM 213 OG1 THR A 14 -26.252 3.088 1.341 1.00 7.42 O ATOM 214 CG2 THR A 14 -26.903 2.328 -0.854 1.00 7.00 C ATOM 0 H THR A 14 -28.363 3.768 2.072 1.00 6.67 H new ATOM 0 HA THR A 14 -28.971 1.425 0.388 1.00 6.26 H new ATOM 0 HB THR A 14 -26.404 1.088 0.804 1.00 6.72 H new ATOM 0 HG1 THR A 14 -25.334 3.173 1.009 1.00 7.42 H new ATOM 0 HG21 THR A 14 -25.872 2.419 -1.195 1.00 7.00 H new ATOM 0 HG22 THR A 14 -27.393 1.516 -1.391 1.00 7.00 H new ATOM 0 HG23 THR A 14 -27.432 3.261 -1.046 1.00 7.00 H new ATOM 222 N SER A 15 -29.526 0.377 2.635 1.00 5.02 N ATOM 223 CA SER A 15 -29.713 -0.465 3.806 1.00 4.54 C ATOM 224 C SER A 15 -28.906 -1.752 3.688 1.00 3.88 C ATOM 225 O SER A 15 -29.356 -2.733 3.093 1.00 4.02 O ATOM 226 CB SER A 15 -31.198 -0.778 3.984 1.00 5.20 C ATOM 227 OG SER A 15 -31.958 0.419 4.044 1.00 6.06 O ATOM 0 H SER A 15 -30.340 0.429 2.022 1.00 5.02 H new ATOM 0 HA SER A 15 -29.354 0.074 4.683 1.00 4.54 H new ATOM 0 HB2 SER A 15 -31.547 -1.395 3.156 1.00 5.20 H new ATOM 0 HB3 SER A 15 -31.346 -1.355 4.897 1.00 5.20 H new ATOM 0 HG SER A 15 -32.906 0.199 4.156 1.00 6.06 H new ATOM 233 N GLN A 16 -27.711 -1.736 4.256 1.00 3.65 N ATOM 234 CA GLN A 16 -26.816 -2.877 4.206 1.00 3.49 C ATOM 235 C GLN A 16 -25.727 -2.738 5.263 1.00 2.88 C ATOM 236 O GLN A 16 -25.740 -3.430 6.284 1.00 3.21 O ATOM 237 CB GLN A 16 -26.199 -2.998 2.810 1.00 4.06 C ATOM 238 CG GLN A 16 -25.205 -4.138 2.665 1.00 4.50 C ATOM 239 CD GLN A 16 -24.622 -4.222 1.269 1.00 5.43 C ATOM 240 OE1 GLN A 16 -23.602 -3.602 0.969 1.00 5.86 O ATOM 241 NE2 GLN A 16 -25.261 -4.994 0.407 1.00 6.06 N ATOM 0 H GLN A 16 -27.337 -0.934 4.763 1.00 3.65 H new ATOM 0 HA GLN A 16 -27.384 -3.783 4.415 1.00 3.49 H new ATOM 0 HB2 GLN A 16 -26.999 -3.133 2.082 1.00 4.06 H new ATOM 0 HB3 GLN A 16 -25.699 -2.061 2.564 1.00 4.06 H new ATOM 0 HG2 GLN A 16 -24.398 -4.006 3.386 1.00 4.50 H new ATOM 0 HG3 GLN A 16 -25.698 -5.079 2.907 1.00 4.50 H new ATOM 0 HE21 GLN A 16 -26.104 -5.491 0.695 1.00 6.06 H new ATOM 0 HE22 GLN A 16 -24.911 -5.092 -0.546 1.00 6.06 H new ATOM 250 N SER A 17 -24.801 -1.824 5.023 1.00 2.48 N ATOM 251 CA SER A 17 -23.690 -1.586 5.930 1.00 2.00 C ATOM 252 C SER A 17 -23.154 -0.175 5.721 1.00 1.45 C ATOM 253 O SER A 17 -23.794 0.641 5.056 1.00 1.99 O ATOM 254 CB SER A 17 -22.573 -2.608 5.681 1.00 2.29 C ATOM 255 OG SER A 17 -23.044 -3.940 5.820 1.00 2.91 O ATOM 0 H SER A 17 -24.798 -1.227 4.196 1.00 2.48 H new ATOM 0 HA SER A 17 -24.041 -1.693 6.956 1.00 2.00 H new ATOM 0 HB2 SER A 17 -22.167 -2.468 4.679 1.00 2.29 H new ATOM 0 HB3 SER A 17 -21.757 -2.435 6.383 1.00 2.29 H new ATOM 0 HG SER A 17 -22.309 -4.566 5.653 1.00 2.91 H new ATOM 261 N THR A 18 -22.000 0.115 6.303 1.00 1.04 N ATOM 262 CA THR A 18 -21.307 1.361 6.032 1.00 0.58 C ATOM 263 C THR A 18 -20.933 1.430 4.563 1.00 0.63 C ATOM 264 O THR A 18 -21.544 2.154 3.778 1.00 1.40 O ATOM 265 CB THR A 18 -20.050 1.489 6.906 1.00 0.91 C ATOM 266 OG1 THR A 18 -19.263 0.293 6.813 1.00 1.44 O ATOM 267 CG2 THR A 18 -20.420 1.739 8.357 1.00 1.26 C ATOM 0 H THR A 18 -21.525 -0.497 6.966 1.00 1.04 H new ATOM 0 HA THR A 18 -21.973 2.189 6.273 1.00 0.58 H new ATOM 0 HB THR A 18 -19.471 2.338 6.543 1.00 0.91 H new ATOM 0 HG1 THR A 18 -18.463 0.384 7.372 1.00 1.44 H new ATOM 0 HG21 THR A 18 -19.512 1.826 8.954 1.00 1.26 H new ATOM 0 HG22 THR A 18 -20.994 2.663 8.432 1.00 1.26 H new ATOM 0 HG23 THR A 18 -21.020 0.908 8.728 1.00 1.26 H new ATOM 275 N THR A 19 -19.940 0.643 4.230 1.00 0.61 N ATOM 276 CA THR A 19 -19.483 0.436 2.855 1.00 0.56 C ATOM 277 C THR A 19 -18.937 1.703 2.203 1.00 0.64 C ATOM 278 O THR A 19 -19.366 2.825 2.477 1.00 1.25 O ATOM 279 CB THR A 19 -20.588 -0.170 1.969 1.00 0.63 C ATOM 280 OG1 THR A 19 -21.196 -1.286 2.638 1.00 0.66 O ATOM 281 CG2 THR A 19 -20.003 -0.630 0.642 1.00 0.66 C ATOM 0 H THR A 19 -19.406 0.110 4.916 1.00 0.61 H new ATOM 0 HA THR A 19 -18.659 -0.273 2.932 1.00 0.56 H new ATOM 0 HB THR A 19 -21.343 0.593 1.781 1.00 0.63 H new ATOM 0 HG1 THR A 19 -21.899 -1.665 2.070 1.00 0.66 H new ATOM 0 HG21 THR A 19 -20.793 -1.057 0.024 1.00 0.66 H new ATOM 0 HG22 THR A 19 -19.558 0.221 0.126 1.00 0.66 H new ATOM 0 HG23 THR A 19 -19.238 -1.384 0.824 1.00 0.66 H new ATOM 289 N ALA A 20 -17.951 1.495 1.351 1.00 0.26 N ATOM 290 CA ALA A 20 -17.243 2.574 0.711 1.00 0.22 C ATOM 291 C ALA A 20 -17.852 2.945 -0.620 1.00 0.24 C ATOM 292 O ALA A 20 -18.903 2.445 -1.025 1.00 0.39 O ATOM 293 CB ALA A 20 -15.808 2.191 0.516 1.00 0.31 C ATOM 0 H ALA A 20 -17.621 0.567 1.086 1.00 0.26 H new ATOM 0 HA ALA A 20 -17.315 3.445 1.362 1.00 0.22 H new ATOM 0 HB1 ALA A 20 -15.276 3.010 0.032 1.00 0.31 H new ATOM 0 HB2 ALA A 20 -15.352 1.984 1.484 1.00 0.31 H new ATOM 0 HB3 ALA A 20 -15.751 1.300 -0.110 1.00 0.31 H new ATOM 299 N ASN A 21 -17.143 3.821 -1.289 1.00 0.23 N ATOM 300 CA ASN A 21 -17.568 4.421 -2.527 1.00 0.24 C ATOM 301 C ASN A 21 -16.440 4.248 -3.514 1.00 0.25 C ATOM 302 O ASN A 21 -15.313 4.051 -3.105 1.00 0.26 O ATOM 303 CB ASN A 21 -17.836 5.897 -2.258 1.00 0.27 C ATOM 304 CG ASN A 21 -18.893 6.078 -1.172 1.00 0.35 C ATOM 305 OD1 ASN A 21 -20.073 6.274 -1.465 1.00 0.43 O ATOM 306 ND2 ASN A 21 -18.484 5.966 0.091 1.00 0.35 N ATOM 0 H ASN A 21 -16.228 4.145 -0.977 1.00 0.23 H new ATOM 0 HA ASN A 21 -18.474 3.964 -2.926 1.00 0.24 H new ATOM 0 HB2 ASN A 21 -16.911 6.388 -1.954 1.00 0.27 H new ATOM 0 HB3 ASN A 21 -18.168 6.382 -3.176 1.00 0.27 H new ATOM 0 HD21 ASN A 21 -19.157 6.042 0.854 1.00 0.35 H new ATOM 0 HD22 ASN A 21 -17.498 5.804 0.295 1.00 0.35 H new ATOM 313 N GLN A 22 -16.707 4.308 -4.798 1.00 0.34 N ATOM 314 CA GLN A 22 -15.649 4.071 -5.773 1.00 0.40 C ATOM 315 C GLN A 22 -14.779 5.296 -5.960 1.00 0.42 C ATOM 316 O GLN A 22 -13.685 5.207 -6.498 1.00 0.48 O ATOM 317 CB GLN A 22 -16.220 3.607 -7.103 1.00 0.51 C ATOM 318 CG GLN A 22 -16.197 2.100 -7.279 1.00 0.51 C ATOM 319 CD GLN A 22 -16.596 1.380 -6.019 1.00 0.58 C ATOM 320 OE1 GLN A 22 -15.624 1.150 -5.161 1.00 1.00 O flip ATOM 321 NE2 GLN A 22 -17.764 1.060 -5.806 1.00 0.38 N flip ATOM 0 H GLN A 22 -17.624 4.514 -5.193 1.00 0.34 H new ATOM 0 HA GLN A 22 -15.019 3.274 -5.378 1.00 0.40 H new ATOM 0 HB2 GLN A 22 -17.248 3.959 -7.191 1.00 0.51 H new ATOM 0 HB3 GLN A 22 -15.655 4.068 -7.913 1.00 0.51 H new ATOM 0 HG2 GLN A 22 -16.873 1.819 -8.087 1.00 0.51 H new ATOM 0 HG3 GLN A 22 -15.197 1.785 -7.576 1.00 0.51 H new ATOM 0 HE21 GLN A 22 -18.483 1.260 -6.502 1.00 0.38 H new ATOM 0 HE22 GLN A 22 -18.014 0.595 -4.933 1.00 0.38 H new ATOM 330 N SER A 23 -15.242 6.433 -5.490 1.00 0.41 N ATOM 331 CA SER A 23 -14.401 7.598 -5.442 1.00 0.47 C ATOM 332 C SER A 23 -13.534 7.499 -4.207 1.00 0.41 C ATOM 333 O SER A 23 -12.588 8.260 -4.013 1.00 0.49 O ATOM 334 CB SER A 23 -15.238 8.879 -5.434 1.00 0.52 C ATOM 335 OG SER A 23 -16.101 8.931 -6.562 1.00 1.36 O ATOM 0 H SER A 23 -16.190 6.571 -5.139 1.00 0.41 H new ATOM 0 HA SER A 23 -13.771 7.642 -6.331 1.00 0.47 H new ATOM 0 HB2 SER A 23 -15.827 8.927 -4.518 1.00 0.52 H new ATOM 0 HB3 SER A 23 -14.580 9.748 -5.435 1.00 0.52 H new ATOM 0 HG SER A 23 -16.627 9.758 -6.534 1.00 1.36 H new ATOM 341 N ASP A 24 -13.875 6.520 -3.386 1.00 0.31 N ATOM 342 CA ASP A 24 -13.142 6.220 -2.197 1.00 0.34 C ATOM 343 C ASP A 24 -12.204 5.064 -2.466 1.00 0.35 C ATOM 344 O ASP A 24 -11.033 5.078 -2.100 1.00 0.53 O ATOM 345 CB ASP A 24 -14.101 5.845 -1.081 1.00 0.36 C ATOM 346 CG ASP A 24 -15.006 6.992 -0.674 1.00 0.86 C ATOM 347 OD1 ASP A 24 -15.970 6.748 0.074 1.00 1.27 O ATOM 348 OD2 ASP A 24 -14.765 8.141 -1.104 1.00 1.09 O1- ATOM 0 H ASP A 24 -14.680 5.912 -3.540 1.00 0.31 H new ATOM 0 HA ASP A 24 -12.568 7.096 -1.896 1.00 0.34 H new ATOM 0 HB2 ASP A 24 -14.713 5.002 -1.402 1.00 0.36 H new ATOM 0 HB3 ASP A 24 -13.530 5.513 -0.214 1.00 0.36 H new ATOM 353 N VAL A 25 -12.750 4.079 -3.154 1.00 0.22 N ATOM 354 CA VAL A 25 -12.111 2.795 -3.316 1.00 0.20 C ATOM 355 C VAL A 25 -11.239 2.721 -4.555 1.00 0.22 C ATOM 356 O VAL A 25 -10.075 2.356 -4.472 1.00 0.23 O ATOM 357 CB VAL A 25 -13.150 1.658 -3.361 1.00 0.30 C ATOM 358 CG1 VAL A 25 -12.499 0.333 -3.711 1.00 1.01 C ATOM 359 CG2 VAL A 25 -13.875 1.546 -2.042 1.00 0.85 C ATOM 0 H VAL A 25 -13.656 4.152 -3.618 1.00 0.22 H new ATOM 0 HA VAL A 25 -11.467 2.673 -2.445 1.00 0.20 H new ATOM 0 HB VAL A 25 -13.872 1.901 -4.140 1.00 0.30 H new ATOM 0 HG11 VAL A 25 -13.257 -0.450 -3.735 1.00 1.01 H new ATOM 0 HG12 VAL A 25 -12.024 0.408 -4.689 1.00 1.01 H new ATOM 0 HG13 VAL A 25 -11.748 0.087 -2.961 1.00 1.01 H new ATOM 0 HG21 VAL A 25 -14.604 0.737 -2.095 1.00 0.85 H new ATOM 0 HG22 VAL A 25 -13.157 1.336 -1.249 1.00 0.85 H new ATOM 0 HG23 VAL A 25 -14.388 2.484 -1.828 1.00 0.85 H new ATOM 369 N ASP A 26 -11.824 3.038 -5.694 1.00 0.25 N ATOM 370 CA ASP A 26 -11.142 2.929 -6.979 1.00 0.27 C ATOM 371 C ASP A 26 -9.808 3.666 -6.969 1.00 0.23 C ATOM 372 O ASP A 26 -8.785 3.079 -7.272 1.00 0.22 O ATOM 373 CB ASP A 26 -12.020 3.463 -8.113 1.00 0.32 C ATOM 374 CG ASP A 26 -11.337 3.390 -9.464 1.00 0.39 C ATOM 375 OD1 ASP A 26 -11.553 2.395 -10.189 1.00 0.51 O ATOM 376 OD2 ASP A 26 -10.592 4.331 -9.814 1.00 0.46 O1- ATOM 0 H ASP A 26 -12.783 3.378 -5.760 1.00 0.25 H new ATOM 0 HA ASP A 26 -10.948 1.870 -7.150 1.00 0.27 H new ATOM 0 HB2 ASP A 26 -12.948 2.892 -8.148 1.00 0.32 H new ATOM 0 HB3 ASP A 26 -12.290 4.498 -7.902 1.00 0.32 H new ATOM 381 N ASP A 27 -9.825 4.940 -6.593 1.00 0.22 N ATOM 382 CA ASP A 27 -8.607 5.754 -6.568 1.00 0.21 C ATOM 383 C ASP A 27 -7.667 5.243 -5.520 1.00 0.16 C ATOM 384 O ASP A 27 -6.453 5.260 -5.706 1.00 0.16 O ATOM 385 CB ASP A 27 -8.900 7.224 -6.271 1.00 0.24 C ATOM 386 CG ASP A 27 -9.533 7.940 -7.443 1.00 0.29 C ATOM 387 OD1 ASP A 27 -10.747 8.216 -7.389 1.00 0.42 O ATOM 388 OD2 ASP A 27 -8.815 8.241 -8.418 1.00 0.45 O1- ATOM 0 H ASP A 27 -10.667 5.435 -6.300 1.00 0.22 H new ATOM 0 HA ASP A 27 -8.160 5.680 -7.559 1.00 0.21 H new ATOM 0 HB2 ASP A 27 -9.563 7.291 -5.408 1.00 0.24 H new ATOM 0 HB3 ASP A 27 -7.972 7.728 -6.000 1.00 0.24 H new ATOM 393 N PHE A 28 -8.239 4.798 -4.412 1.00 0.13 N ATOM 394 CA PHE A 28 -7.460 4.164 -3.378 1.00 0.10 C ATOM 395 C PHE A 28 -6.692 3.045 -4.005 1.00 0.10 C ATOM 396 O PHE A 28 -5.482 3.083 -4.114 1.00 0.09 O ATOM 397 CB PHE A 28 -8.337 3.585 -2.266 1.00 0.09 C ATOM 398 CG PHE A 28 -7.549 2.760 -1.311 1.00 0.08 C ATOM 399 CD1 PHE A 28 -6.857 3.367 -0.293 1.00 0.08 C ATOM 400 CD2 PHE A 28 -7.469 1.387 -1.450 1.00 0.08 C ATOM 401 CE1 PHE A 28 -6.095 2.631 0.570 1.00 0.11 C ATOM 402 CE2 PHE A 28 -6.709 0.647 -0.588 1.00 0.10 C ATOM 403 CZ PHE A 28 -6.015 1.261 0.420 1.00 0.08 C ATOM 0 H PHE A 28 -9.237 4.867 -4.213 1.00 0.13 H new ATOM 0 HA PHE A 28 -6.806 4.913 -2.931 1.00 0.10 H new ATOM 0 HB2 PHE A 28 -8.824 4.398 -1.727 1.00 0.09 H new ATOM 0 HB3 PHE A 28 -9.127 2.976 -2.706 1.00 0.09 H new ATOM 0 HD1 PHE A 28 -6.915 4.439 -0.173 1.00 0.08 H new ATOM 0 HD2 PHE A 28 -8.011 0.896 -2.245 1.00 0.08 H new ATOM 0 HE1 PHE A 28 -5.556 3.120 1.368 1.00 0.11 H new ATOM 0 HE2 PHE A 28 -6.656 -0.426 -0.702 1.00 0.10 H new ATOM 0 HZ PHE A 28 -5.408 0.676 1.095 1.00 0.08 H new ATOM 413 N ASN A 29 -7.458 2.097 -4.491 1.00 0.12 N ATOM 414 CA ASN A 29 -6.942 0.865 -5.057 1.00 0.13 C ATOM 415 C ASN A 29 -6.061 1.127 -6.241 1.00 0.13 C ATOM 416 O ASN A 29 -5.141 0.376 -6.517 1.00 0.14 O ATOM 417 CB ASN A 29 -8.105 -0.014 -5.489 1.00 0.19 C ATOM 418 CG ASN A 29 -8.589 -0.909 -4.381 1.00 0.23 C ATOM 419 OD1 ASN A 29 -8.166 -2.056 -4.261 1.00 0.30 O ATOM 420 ND2 ASN A 29 -9.463 -0.383 -3.550 1.00 0.23 N ATOM 0 H ASN A 29 -8.476 2.158 -4.506 1.00 0.12 H new ATOM 0 HA ASN A 29 -6.346 0.366 -4.292 1.00 0.13 H new ATOM 0 HB2 ASN A 29 -8.927 0.616 -5.829 1.00 0.19 H new ATOM 0 HB3 ASN A 29 -7.800 -0.625 -6.339 1.00 0.19 H new ATOM 0 HD21 ASN A 29 -9.817 -0.933 -2.767 1.00 0.23 H new ATOM 0 HD22 ASN A 29 -9.786 0.574 -3.689 1.00 0.23 H new ATOM 427 N THR A 30 -6.341 2.199 -6.925 1.00 0.13 N ATOM 428 CA THR A 30 -5.637 2.523 -8.123 1.00 0.14 C ATOM 429 C THR A 30 -4.286 3.121 -7.816 1.00 0.12 C ATOM 430 O THR A 30 -3.276 2.727 -8.393 1.00 0.12 O ATOM 431 CB THR A 30 -6.444 3.502 -8.959 1.00 0.17 C ATOM 432 OG1 THR A 30 -7.561 2.833 -9.561 1.00 0.20 O ATOM 433 CG2 THR A 30 -5.582 4.142 -10.019 1.00 0.17 C ATOM 0 H THR A 30 -7.064 2.870 -6.665 1.00 0.13 H new ATOM 0 HA THR A 30 -5.490 1.599 -8.683 1.00 0.14 H new ATOM 0 HB THR A 30 -6.815 4.289 -8.303 1.00 0.17 H new ATOM 0 HG1 THR A 30 -8.356 2.955 -9.001 1.00 0.20 H new ATOM 0 HG21 THR A 30 -6.182 4.839 -10.604 1.00 0.17 H new ATOM 0 HG22 THR A 30 -4.761 4.680 -9.545 1.00 0.17 H new ATOM 0 HG23 THR A 30 -5.179 3.370 -10.675 1.00 0.17 H new ATOM 441 N LEU A 31 -4.275 4.063 -6.895 1.00 0.12 N ATOM 442 CA LEU A 31 -3.056 4.707 -6.495 1.00 0.12 C ATOM 443 C LEU A 31 -2.232 3.685 -5.762 1.00 0.11 C ATOM 444 O LEU A 31 -1.024 3.638 -5.864 1.00 0.12 O ATOM 445 CB LEU A 31 -3.379 5.898 -5.603 1.00 0.14 C ATOM 446 CG LEU A 31 -2.252 6.919 -5.447 1.00 0.17 C ATOM 447 CD1 LEU A 31 -1.745 7.324 -6.821 1.00 0.40 C ATOM 448 CD2 LEU A 31 -2.756 8.132 -4.696 1.00 0.53 C ATOM 0 H LEU A 31 -5.108 4.397 -6.410 1.00 0.12 H new ATOM 0 HA LEU A 31 -2.501 5.082 -7.355 1.00 0.12 H new ATOM 0 HB2 LEU A 31 -4.255 6.406 -6.006 1.00 0.14 H new ATOM 0 HB3 LEU A 31 -3.652 5.528 -4.615 1.00 0.14 H new ATOM 0 HG LEU A 31 -1.434 6.474 -4.881 1.00 0.17 H new ATOM 0 HD11 LEU A 31 -0.941 8.052 -6.712 1.00 0.40 H new ATOM 0 HD12 LEU A 31 -1.370 6.444 -7.344 1.00 0.40 H new ATOM 0 HD13 LEU A 31 -2.560 7.766 -7.394 1.00 0.40 H new ATOM 0 HD21 LEU A 31 -1.948 8.855 -4.589 1.00 0.53 H new ATOM 0 HD22 LEU A 31 -3.578 8.586 -5.249 1.00 0.53 H new ATOM 0 HD23 LEU A 31 -3.106 7.829 -3.709 1.00 0.53 H new ATOM 460 N TYR A 32 -2.962 2.832 -5.090 1.00 0.09 N ATOM 461 CA TYR A 32 -2.444 1.698 -4.358 1.00 0.07 C ATOM 462 C TYR A 32 -1.781 0.711 -5.296 1.00 0.08 C ATOM 463 O TYR A 32 -0.658 0.270 -5.066 1.00 0.08 O ATOM 464 CB TYR A 32 -3.640 1.080 -3.683 1.00 0.07 C ATOM 465 CG TYR A 32 -3.449 -0.290 -3.111 1.00 0.06 C ATOM 466 CD1 TYR A 32 -2.975 -0.466 -1.831 1.00 0.06 C ATOM 467 CD2 TYR A 32 -3.786 -1.410 -3.853 1.00 0.08 C ATOM 468 CE1 TYR A 32 -2.831 -1.722 -1.297 1.00 0.09 C ATOM 469 CE2 TYR A 32 -3.644 -2.671 -3.330 1.00 0.10 C ATOM 470 CZ TYR A 32 -3.166 -2.826 -2.048 1.00 0.08 C ATOM 471 OH TYR A 32 -3.021 -4.086 -1.515 1.00 0.15 O ATOM 0 H TYR A 32 -3.977 2.910 -5.034 1.00 0.09 H new ATOM 0 HA TYR A 32 -1.683 1.994 -3.636 1.00 0.07 H new ATOM 0 HB2 TYR A 32 -3.959 1.744 -2.880 1.00 0.07 H new ATOM 0 HB3 TYR A 32 -4.456 1.038 -4.405 1.00 0.07 H new ATOM 0 HD1 TYR A 32 -2.712 0.397 -1.238 1.00 0.06 H new ATOM 0 HD2 TYR A 32 -4.166 -1.289 -4.857 1.00 0.08 H new ATOM 0 HE1 TYR A 32 -2.456 -1.844 -0.291 1.00 0.09 H new ATOM 0 HE2 TYR A 32 -3.906 -3.537 -3.921 1.00 0.10 H new ATOM 0 HH TYR A 32 -3.303 -4.754 -2.174 1.00 0.15 H new ATOM 481 N ASP A 33 -2.489 0.395 -6.369 1.00 0.10 N ATOM 482 CA ASP A 33 -1.997 -0.502 -7.398 1.00 0.11 C ATOM 483 C ASP A 33 -0.803 0.121 -8.057 1.00 0.09 C ATOM 484 O ASP A 33 0.062 -0.546 -8.617 1.00 0.11 O ATOM 485 CB ASP A 33 -3.063 -0.739 -8.459 1.00 0.16 C ATOM 486 CG ASP A 33 -3.712 -2.104 -8.334 1.00 0.31 C ATOM 487 OD1 ASP A 33 -4.619 -2.255 -7.492 1.00 0.42 O ATOM 488 OD2 ASP A 33 -3.331 -3.032 -9.081 1.00 0.52 O1- ATOM 0 H ASP A 33 -3.426 0.756 -6.550 1.00 0.10 H new ATOM 0 HA ASP A 33 -1.734 -1.453 -6.935 1.00 0.11 H new ATOM 0 HB2 ASP A 33 -3.829 0.033 -8.379 1.00 0.16 H new ATOM 0 HB3 ASP A 33 -2.615 -0.642 -9.448 1.00 0.16 H new ATOM 493 N ALA A 34 -0.797 1.425 -7.962 1.00 0.08 N ATOM 494 CA ALA A 34 0.187 2.261 -8.587 1.00 0.09 C ATOM 495 C ALA A 34 1.502 2.234 -7.833 1.00 0.08 C ATOM 496 O ALA A 34 2.571 2.325 -8.437 1.00 0.09 O ATOM 497 CB ALA A 34 -0.346 3.659 -8.643 1.00 0.10 C ATOM 0 H ALA A 34 -1.496 1.946 -7.433 1.00 0.08 H new ATOM 0 HA ALA A 34 0.383 1.887 -9.592 1.00 0.09 H new ATOM 0 HB1 ALA A 34 0.389 4.310 -9.116 1.00 0.10 H new ATOM 0 HB2 ALA A 34 -1.269 3.674 -9.222 1.00 0.10 H new ATOM 0 HB3 ALA A 34 -0.547 4.013 -7.632 1.00 0.10 H new ATOM 503 N PHE A 35 1.418 2.105 -6.501 1.00 0.06 N ATOM 504 CA PHE A 35 2.606 1.997 -5.663 1.00 0.06 C ATOM 505 C PHE A 35 3.371 0.787 -6.065 1.00 0.06 C ATOM 506 O PHE A 35 4.549 0.662 -5.803 1.00 0.08 O ATOM 507 CB PHE A 35 2.241 1.822 -4.208 1.00 0.05 C ATOM 508 CG PHE A 35 1.813 3.060 -3.526 1.00 0.05 C ATOM 509 CD1 PHE A 35 2.663 3.687 -2.659 1.00 0.05 C ATOM 510 CD2 PHE A 35 0.564 3.596 -3.752 1.00 0.06 C ATOM 511 CE1 PHE A 35 2.290 4.830 -2.008 1.00 0.06 C ATOM 512 CE2 PHE A 35 0.179 4.747 -3.115 1.00 0.06 C ATOM 513 CZ PHE A 35 0.985 5.365 -2.271 1.00 0.06 C ATOM 0 H PHE A 35 0.537 2.074 -5.987 1.00 0.06 H new ATOM 0 HA PHE A 35 3.185 2.912 -5.789 1.00 0.06 H new ATOM 0 HB2 PHE A 35 1.439 1.087 -4.134 1.00 0.05 H new ATOM 0 HB3 PHE A 35 3.100 1.410 -3.679 1.00 0.05 H new ATOM 0 HD1 PHE A 35 3.645 3.273 -2.485 1.00 0.05 H new ATOM 0 HD2 PHE A 35 -0.115 3.107 -4.435 1.00 0.06 H new ATOM 0 HE1 PHE A 35 2.960 5.317 -1.315 1.00 0.06 H new ATOM 0 HE2 PHE A 35 -0.802 5.156 -3.307 1.00 0.06 H new ATOM 0 HZ PHE A 35 0.663 6.271 -1.780 1.00 0.06 H new ATOM 523 N TYR A 36 2.661 -0.118 -6.669 1.00 0.06 N ATOM 524 CA TYR A 36 3.246 -1.318 -7.154 1.00 0.06 C ATOM 525 C TYR A 36 3.618 -1.141 -8.594 1.00 0.08 C ATOM 526 O TYR A 36 2.818 -0.732 -9.432 1.00 0.11 O ATOM 527 CB TYR A 36 2.293 -2.480 -7.002 1.00 0.07 C ATOM 528 CG TYR A 36 1.864 -2.749 -5.590 1.00 0.06 C ATOM 529 CD1 TYR A 36 2.731 -3.347 -4.696 1.00 0.07 C ATOM 530 CD2 TYR A 36 0.583 -2.444 -5.166 1.00 0.07 C ATOM 531 CE1 TYR A 36 2.329 -3.641 -3.410 1.00 0.09 C ATOM 532 CE2 TYR A 36 0.173 -2.722 -3.883 1.00 0.08 C ATOM 533 CZ TYR A 36 1.046 -3.324 -3.008 1.00 0.07 C ATOM 534 OH TYR A 36 0.633 -3.624 -1.732 1.00 0.11 O ATOM 0 H TYR A 36 1.658 -0.039 -6.837 1.00 0.06 H new ATOM 0 HA TYR A 36 4.140 -1.536 -6.570 1.00 0.06 H new ATOM 0 HB2 TYR A 36 1.407 -2.289 -7.608 1.00 0.07 H new ATOM 0 HB3 TYR A 36 2.766 -3.377 -7.402 1.00 0.07 H new ATOM 0 HD1 TYR A 36 3.737 -3.587 -5.008 1.00 0.07 H new ATOM 0 HD2 TYR A 36 -0.107 -1.979 -5.855 1.00 0.07 H new ATOM 0 HE1 TYR A 36 3.013 -4.116 -2.722 1.00 0.09 H new ATOM 0 HE2 TYR A 36 -0.828 -2.469 -3.565 1.00 0.08 H new ATOM 0 HH TYR A 36 -0.295 -3.334 -1.612 1.00 0.11 H new ATOM 544 N THR A 37 4.857 -1.432 -8.850 1.00 0.08 N ATOM 545 CA THR A 37 5.413 -1.321 -10.190 1.00 0.11 C ATOM 546 C THR A 37 4.701 -2.278 -11.141 1.00 0.14 C ATOM 547 O THR A 37 4.652 -2.062 -12.353 1.00 0.17 O ATOM 548 CB THR A 37 6.919 -1.626 -10.198 1.00 0.12 C ATOM 549 OG1 THR A 37 7.138 -3.041 -10.214 1.00 0.14 O ATOM 550 CG2 THR A 37 7.569 -1.057 -8.964 1.00 0.11 C ATOM 0 H THR A 37 5.521 -1.754 -8.146 1.00 0.08 H new ATOM 0 HA THR A 37 5.264 -0.294 -10.523 1.00 0.11 H new ATOM 0 HB THR A 37 7.353 -1.174 -11.090 1.00 0.12 H new ATOM 0 HG1 THR A 37 8.101 -3.223 -10.221 1.00 0.14 H new ATOM 0 HG21 THR A 37 8.636 -1.279 -8.980 1.00 0.11 H new ATOM 0 HG22 THR A 37 7.423 0.023 -8.941 1.00 0.11 H new ATOM 0 HG23 THR A 37 7.119 -1.503 -8.077 1.00 0.11 H new ATOM 558 N ASN A 38 4.143 -3.332 -10.566 1.00 0.15 N ATOM 559 CA ASN A 38 3.404 -4.330 -11.307 1.00 0.26 C ATOM 560 C ASN A 38 2.133 -4.656 -10.546 1.00 0.29 C ATOM 561 O ASN A 38 2.068 -4.458 -9.334 1.00 0.71 O ATOM 562 CB ASN A 38 4.260 -5.596 -11.512 1.00 0.38 C ATOM 563 CG ASN A 38 4.844 -6.173 -10.224 1.00 0.65 C ATOM 564 OD1 ASN A 38 4.283 -6.031 -9.137 1.00 1.52 O ATOM 565 ND2 ASN A 38 5.976 -6.847 -10.344 1.00 0.99 N ATOM 0 H ASN A 38 4.193 -3.516 -9.564 1.00 0.15 H new ATOM 0 HA ASN A 38 3.148 -3.943 -12.293 1.00 0.26 H new ATOM 0 HB2 ASN A 38 3.650 -6.359 -11.995 1.00 0.38 H new ATOM 0 HB3 ASN A 38 5.077 -5.362 -12.195 1.00 0.38 H new ATOM 0 HD21 ASN A 38 6.409 -7.267 -9.522 1.00 0.99 H new ATOM 0 HD22 ASN A 38 6.416 -6.947 -11.259 1.00 0.99 H new ATOM 572 N SER A 39 1.118 -5.145 -11.237 1.00 0.33 N ATOM 573 CA SER A 39 -0.131 -5.479 -10.574 1.00 0.28 C ATOM 574 C SER A 39 -0.013 -6.812 -9.851 1.00 0.22 C ATOM 575 O SER A 39 -0.976 -7.303 -9.265 1.00 0.24 O ATOM 576 CB SER A 39 -1.295 -5.495 -11.556 1.00 0.35 C ATOM 577 OG SER A 39 -0.973 -6.224 -12.732 1.00 0.36 O ATOM 0 H SER A 39 1.132 -5.318 -12.242 1.00 0.33 H new ATOM 0 HA SER A 39 -0.335 -4.704 -9.836 1.00 0.28 H new ATOM 0 HB2 SER A 39 -2.169 -5.939 -11.079 1.00 0.35 H new ATOM 0 HB3 SER A 39 -1.562 -4.472 -11.822 1.00 0.35 H new ATOM 0 HG SER A 39 -1.740 -6.217 -13.341 1.00 0.36 H new ATOM 583 N ASN A 40 1.181 -7.391 -9.897 1.00 0.20 N ATOM 584 CA ASN A 40 1.498 -8.538 -9.066 1.00 0.20 C ATOM 585 C ASN A 40 1.738 -8.060 -7.648 1.00 0.16 C ATOM 586 O ASN A 40 1.674 -8.828 -6.688 1.00 0.18 O ATOM 587 CB ASN A 40 2.730 -9.281 -9.574 1.00 0.26 C ATOM 588 CG ASN A 40 2.608 -9.709 -11.022 1.00 0.43 C ATOM 589 OD1 ASN A 40 3.001 -8.977 -11.933 1.00 1.09 O ATOM 590 ND2 ASN A 40 2.068 -10.893 -11.246 1.00 1.15 N ATOM 0 H ASN A 40 1.943 -7.083 -10.501 1.00 0.20 H new ATOM 0 HA ASN A 40 0.659 -9.233 -9.100 1.00 0.20 H new ATOM 0 HB2 ASN A 40 3.605 -8.641 -9.463 1.00 0.26 H new ATOM 0 HB3 ASN A 40 2.898 -10.161 -8.954 1.00 0.26 H new ATOM 0 HD21 ASN A 40 1.963 -11.233 -12.202 1.00 1.15 H new ATOM 0 HD22 ASN A 40 1.756 -11.467 -10.463 1.00 1.15 H new ATOM 597 N LYS A 41 1.992 -6.744 -7.546 1.00 0.13 N ATOM 598 CA LYS A 41 2.184 -6.062 -6.285 1.00 0.11 C ATOM 599 C LYS A 41 3.256 -6.739 -5.472 1.00 0.11 C ATOM 600 O LYS A 41 3.156 -6.906 -4.260 1.00 0.12 O ATOM 601 CB LYS A 41 0.846 -5.962 -5.597 1.00 0.11 C ATOM 602 CG LYS A 41 -0.193 -5.454 -6.564 1.00 0.13 C ATOM 603 CD LYS A 41 -1.574 -5.648 -6.033 1.00 0.17 C ATOM 604 CE LYS A 41 -2.244 -4.324 -5.853 1.00 0.20 C ATOM 605 NZ LYS A 41 -3.724 -4.449 -5.843 1.00 0.66 N1+ ATOM 0 H LYS A 41 2.068 -6.129 -8.356 1.00 0.13 H new ATOM 0 HA LYS A 41 2.551 -5.046 -6.433 1.00 0.11 H new ATOM 0 HB2 LYS A 41 0.551 -6.939 -5.213 1.00 0.11 H new ATOM 0 HB3 LYS A 41 0.917 -5.291 -4.741 1.00 0.11 H new ATOM 0 HG2 LYS A 41 -0.023 -4.395 -6.760 1.00 0.13 H new ATOM 0 HG3 LYS A 41 -0.091 -5.975 -7.516 1.00 0.13 H new ATOM 0 HD2 LYS A 41 -2.152 -6.267 -6.719 1.00 0.17 H new ATOM 0 HD3 LYS A 41 -1.535 -6.177 -5.081 1.00 0.17 H new ATOM 0 HE2 LYS A 41 -1.911 -3.873 -4.918 1.00 0.20 H new ATOM 0 HE3 LYS A 41 -1.942 -3.652 -6.656 1.00 0.20 H new ATOM 0 HZ1 LYS A 41 -4.140 -3.610 -5.391 1.00 0.66 H new ATOM 0 HZ2 LYS A 41 -4.073 -4.525 -6.820 1.00 0.66 H new ATOM 0 HZ3 LYS A 41 -3.997 -5.300 -5.311 1.00 0.66 H new ATOM 619 N THR A 42 4.300 -7.093 -6.201 1.00 0.11 N ATOM 620 CA THR A 42 5.471 -7.743 -5.669 1.00 0.12 C ATOM 621 C THR A 42 6.635 -6.770 -5.664 1.00 0.10 C ATOM 622 O THR A 42 7.748 -7.089 -5.244 1.00 0.13 O ATOM 623 CB THR A 42 5.811 -8.955 -6.535 1.00 0.16 C ATOM 624 OG1 THR A 42 5.966 -8.555 -7.904 1.00 0.18 O ATOM 625 CG2 THR A 42 4.696 -9.965 -6.423 1.00 0.21 C ATOM 0 H THR A 42 4.352 -6.929 -7.206 1.00 0.11 H new ATOM 0 HA THR A 42 5.277 -8.071 -4.648 1.00 0.12 H new ATOM 0 HB THR A 42 6.747 -9.396 -6.192 1.00 0.16 H new ATOM 0 HG1 THR A 42 6.185 -9.338 -8.451 1.00 0.18 H new ATOM 0 HG21 THR A 42 4.929 -10.834 -7.038 1.00 0.21 H new ATOM 0 HG22 THR A 42 4.588 -10.274 -5.383 1.00 0.21 H new ATOM 0 HG23 THR A 42 3.764 -9.517 -6.767 1.00 0.21 H new ATOM 633 N ALA A 43 6.342 -5.563 -6.117 1.00 0.09 N ATOM 634 CA ALA A 43 7.346 -4.544 -6.330 1.00 0.09 C ATOM 635 C ALA A 43 6.706 -3.177 -6.241 1.00 0.07 C ATOM 636 O ALA A 43 5.547 -3.010 -6.600 1.00 0.09 O ATOM 637 CB ALA A 43 7.993 -4.740 -7.681 1.00 0.10 C ATOM 0 H ALA A 43 5.394 -5.264 -6.348 1.00 0.09 H new ATOM 0 HA ALA A 43 8.115 -4.622 -5.562 1.00 0.09 H new ATOM 0 HB1 ALA A 43 8.749 -3.970 -7.838 1.00 0.10 H new ATOM 0 HB2 ALA A 43 8.463 -5.723 -7.720 1.00 0.10 H new ATOM 0 HB3 ALA A 43 7.235 -4.668 -8.461 1.00 0.10 H new ATOM 643 N LEU A 44 7.457 -2.208 -5.751 1.00 0.06 N ATOM 644 CA LEU A 44 6.916 -0.898 -5.477 1.00 0.06 C ATOM 645 C LEU A 44 7.671 0.250 -6.129 1.00 0.08 C ATOM 646 O LEU A 44 8.904 0.292 -6.158 1.00 0.09 O ATOM 647 CB LEU A 44 6.887 -0.713 -3.991 1.00 0.06 C ATOM 648 CG LEU A 44 5.852 -1.566 -3.308 1.00 0.04 C ATOM 649 CD1 LEU A 44 6.485 -2.475 -2.295 1.00 0.05 C ATOM 650 CD2 LEU A 44 4.884 -0.679 -2.632 1.00 0.05 C ATOM 0 H LEU A 44 8.449 -2.309 -5.535 1.00 0.06 H new ATOM 0 HA LEU A 44 5.918 -0.864 -5.915 1.00 0.06 H new ATOM 0 HB2 LEU A 44 7.870 -0.949 -3.583 1.00 0.06 H new ATOM 0 HB3 LEU A 44 6.691 0.335 -3.765 1.00 0.06 H new ATOM 0 HG LEU A 44 5.353 -2.184 -4.055 1.00 0.04 H new ATOM 0 HD11 LEU A 44 5.714 -3.080 -1.817 1.00 0.05 H new ATOM 0 HD12 LEU A 44 7.203 -3.128 -2.791 1.00 0.05 H new ATOM 0 HD13 LEU A 44 6.998 -1.878 -1.541 1.00 0.05 H new ATOM 0 HD21 LEU A 44 4.126 -1.282 -2.131 1.00 0.05 H new ATOM 0 HD22 LEU A 44 5.404 -0.066 -1.896 1.00 0.05 H new ATOM 0 HD23 LEU A 44 4.406 -0.034 -3.369 1.00 0.05 H new ATOM 662 N LYS A 45 6.880 1.183 -6.630 1.00 0.10 N ATOM 663 CA LYS A 45 7.352 2.389 -7.250 1.00 0.12 C ATOM 664 C LYS A 45 7.541 3.446 -6.211 1.00 0.12 C ATOM 665 O LYS A 45 6.658 3.714 -5.403 1.00 0.14 O ATOM 666 CB LYS A 45 6.350 2.900 -8.267 1.00 0.15 C ATOM 667 CG LYS A 45 6.692 2.557 -9.697 1.00 0.26 C ATOM 668 CD LYS A 45 8.024 3.146 -10.128 1.00 1.23 C ATOM 669 CE LYS A 45 8.223 3.012 -11.629 1.00 1.55 C ATOM 670 NZ LYS A 45 9.545 3.527 -12.069 1.00 1.95 N1+ ATOM 0 H LYS A 45 5.863 1.111 -6.611 1.00 0.10 H new ATOM 0 HA LYS A 45 8.295 2.166 -7.749 1.00 0.12 H new ATOM 0 HB2 LYS A 45 5.368 2.490 -8.031 1.00 0.15 H new ATOM 0 HB3 LYS A 45 6.274 3.983 -8.173 1.00 0.15 H new ATOM 0 HG2 LYS A 45 6.722 1.473 -9.811 1.00 0.26 H new ATOM 0 HG3 LYS A 45 5.905 2.925 -10.355 1.00 0.26 H new ATOM 0 HD2 LYS A 45 8.069 4.198 -9.845 1.00 1.23 H new ATOM 0 HD3 LYS A 45 8.835 2.640 -9.604 1.00 1.23 H new ATOM 0 HE2 LYS A 45 8.130 1.964 -11.914 1.00 1.55 H new ATOM 0 HE3 LYS A 45 7.433 3.554 -12.148 1.00 1.55 H new ATOM 0 HZ1 LYS A 45 9.501 3.781 -13.076 1.00 1.95 H new ATOM 0 HZ2 LYS A 45 9.793 4.368 -11.510 1.00 1.95 H new ATOM 0 HZ3 LYS A 45 10.268 2.793 -11.929 1.00 1.95 H new ATOM 684 N ASN A 46 8.666 4.081 -6.284 1.00 0.15 N ATOM 685 CA ASN A 46 9.071 5.009 -5.235 1.00 0.15 C ATOM 686 C ASN A 46 8.394 6.361 -5.380 1.00 0.14 C ATOM 687 O ASN A 46 8.200 7.072 -4.396 1.00 0.17 O ATOM 688 CB ASN A 46 10.581 5.176 -5.201 1.00 0.22 C ATOM 689 CG ASN A 46 11.151 4.598 -3.954 1.00 0.62 C ATOM 690 OD1 ASN A 46 11.353 3.324 -3.995 1.00 1.78 O flip ATOM 691 ND2 ASN A 46 11.378 5.284 -2.959 1.00 0.54 N flip ATOM 0 H ASN A 46 9.332 3.986 -7.051 1.00 0.15 H new ATOM 0 HA ASN A 46 8.748 4.575 -4.289 1.00 0.15 H new ATOM 0 HB2 ASN A 46 11.025 4.688 -6.069 1.00 0.22 H new ATOM 0 HB3 ASN A 46 10.835 6.234 -5.266 1.00 0.22 H new ATOM 0 HD21 ASN A 46 11.200 6.288 -2.980 1.00 0.54 H new ATOM 0 HD22 ASN A 46 11.744 4.849 -2.112 1.00 0.54 H new ATOM 698 N SER A 47 8.022 6.708 -6.604 1.00 0.14 N ATOM 699 CA SER A 47 7.319 7.956 -6.863 1.00 0.16 C ATOM 700 C SER A 47 5.953 7.951 -6.179 1.00 0.13 C ATOM 701 O SER A 47 5.409 8.998 -5.829 1.00 0.17 O ATOM 702 CB SER A 47 7.150 8.150 -8.368 1.00 0.21 C ATOM 703 OG SER A 47 8.391 8.014 -9.041 1.00 1.32 O ATOM 0 H SER A 47 8.196 6.142 -7.434 1.00 0.14 H new ATOM 0 HA SER A 47 7.906 8.781 -6.458 1.00 0.16 H new ATOM 0 HB2 SER A 47 6.440 7.419 -8.755 1.00 0.21 H new ATOM 0 HB3 SER A 47 6.731 9.137 -8.566 1.00 0.21 H new ATOM 0 HG SER A 47 8.257 8.141 -10.003 1.00 1.32 H new ATOM 709 N GLN A 48 5.418 6.756 -5.974 1.00 0.10 N ATOM 710 CA GLN A 48 4.111 6.584 -5.383 1.00 0.10 C ATOM 711 C GLN A 48 4.140 6.831 -3.888 1.00 0.09 C ATOM 712 O GLN A 48 3.129 7.190 -3.307 1.00 0.10 O ATOM 713 CB GLN A 48 3.642 5.179 -5.675 1.00 0.13 C ATOM 714 CG GLN A 48 3.674 4.851 -7.156 1.00 0.15 C ATOM 715 CD GLN A 48 2.671 5.651 -7.962 1.00 0.27 C ATOM 716 OE1 GLN A 48 1.532 5.963 -7.363 1.00 0.82 O flip ATOM 717 NE2 GLN A 48 2.915 5.975 -9.120 1.00 0.49 N flip ATOM 0 H GLN A 48 5.883 5.881 -6.215 1.00 0.10 H new ATOM 0 HA GLN A 48 3.423 7.312 -5.814 1.00 0.10 H new ATOM 0 HB2 GLN A 48 4.271 4.470 -5.136 1.00 0.13 H new ATOM 0 HB3 GLN A 48 2.626 5.053 -5.300 1.00 0.13 H new ATOM 0 HG2 GLN A 48 4.676 5.040 -7.543 1.00 0.15 H new ATOM 0 HG3 GLN A 48 3.475 3.788 -7.291 1.00 0.15 H new ATOM 0 HE21 GLN A 48 3.805 5.715 -9.546 1.00 0.49 H new ATOM 0 HE22 GLN A 48 2.228 6.504 -9.657 1.00 0.49 H new ATOM 726 N PHE A 49 5.303 6.661 -3.275 1.00 0.09 N ATOM 727 CA PHE A 49 5.446 6.818 -1.831 1.00 0.09 C ATOM 728 C PHE A 49 4.992 8.201 -1.369 1.00 0.11 C ATOM 729 O PHE A 49 4.651 8.395 -0.204 1.00 0.13 O ATOM 730 CB PHE A 49 6.891 6.614 -1.386 1.00 0.09 C ATOM 731 CG PHE A 49 7.461 5.243 -1.611 1.00 0.08 C ATOM 732 CD1 PHE A 49 8.631 4.820 -1.007 1.00 0.10 C ATOM 733 CD2 PHE A 49 6.803 4.378 -2.453 1.00 0.09 C ATOM 734 CE1 PHE A 49 9.126 3.548 -1.249 1.00 0.13 C ATOM 735 CE2 PHE A 49 7.283 3.120 -2.698 1.00 0.11 C ATOM 736 CZ PHE A 49 8.577 2.729 -1.954 1.00 0.07 C ATOM 0 H PHE A 49 6.167 6.413 -3.757 1.00 0.09 H new ATOM 0 HA PHE A 49 4.813 6.056 -1.377 1.00 0.09 H new ATOM 0 HB2 PHE A 49 7.517 7.337 -1.909 1.00 0.09 H new ATOM 0 HB3 PHE A 49 6.959 6.844 -0.323 1.00 0.09 H new ATOM 0 HD1 PHE A 49 9.162 5.485 -0.342 1.00 0.10 H new ATOM 0 HD2 PHE A 49 5.889 4.698 -2.931 1.00 0.09 H new ATOM 0 HE1 PHE A 49 10.058 3.270 -0.780 1.00 0.13 H new ATOM 0 HE2 PHE A 49 6.785 2.440 -3.373 1.00 0.11 H new ATOM 0 HZ PHE A 49 8.989 1.736 -2.060 1.00 0.07 H new ATOM 746 N ASP A 50 4.984 9.154 -2.295 1.00 0.11 N ATOM 747 CA ASP A 50 4.596 10.526 -1.993 1.00 0.15 C ATOM 748 C ASP A 50 3.088 10.595 -1.828 1.00 0.15 C ATOM 749 O ASP A 50 2.539 11.498 -1.200 1.00 0.20 O ATOM 750 CB ASP A 50 5.039 11.446 -3.130 1.00 0.19 C ATOM 751 CG ASP A 50 4.830 12.914 -2.822 1.00 0.29 C ATOM 752 OD1 ASP A 50 3.833 13.488 -3.306 1.00 0.41 O ATOM 753 OD2 ASP A 50 5.648 13.496 -2.074 1.00 0.36 O1- ATOM 0 H ASP A 50 5.244 8.999 -3.269 1.00 0.11 H new ATOM 0 HA ASP A 50 5.075 10.848 -1.069 1.00 0.15 H new ATOM 0 HB2 ASP A 50 6.094 11.272 -3.340 1.00 0.19 H new ATOM 0 HB3 ASP A 50 4.487 11.188 -4.034 1.00 0.19 H new ATOM 758 N LYS A 51 2.440 9.603 -2.404 1.00 0.11 N ATOM 759 CA LYS A 51 1.002 9.474 -2.380 1.00 0.11 C ATOM 760 C LYS A 51 0.585 8.460 -1.332 1.00 0.10 C ATOM 761 O LYS A 51 -0.546 8.023 -1.330 1.00 0.11 O ATOM 762 CB LYS A 51 0.510 9.029 -3.748 1.00 0.13 C ATOM 763 CG LYS A 51 1.548 9.206 -4.826 1.00 0.14 C ATOM 764 CD LYS A 51 0.959 9.132 -6.204 1.00 0.49 C ATOM 765 CE LYS A 51 1.810 9.882 -7.208 1.00 0.45 C ATOM 766 NZ LYS A 51 1.268 9.787 -8.591 1.00 1.47 N1+ ATOM 0 H LYS A 51 2.909 8.852 -2.910 1.00 0.11 H new ATOM 0 HA LYS A 51 0.562 10.440 -2.130 1.00 0.11 H new ATOM 0 HB2 LYS A 51 0.217 7.980 -3.701 1.00 0.13 H new ATOM 0 HB3 LYS A 51 -0.382 9.598 -4.011 1.00 0.13 H new ATOM 0 HG2 LYS A 51 2.042 10.169 -4.696 1.00 0.14 H new ATOM 0 HG3 LYS A 51 2.314 8.438 -4.719 1.00 0.14 H new ATOM 0 HD2 LYS A 51 0.869 8.089 -6.508 1.00 0.49 H new ATOM 0 HD3 LYS A 51 -0.048 9.549 -6.194 1.00 0.49 H new ATOM 0 HE2 LYS A 51 1.873 10.930 -6.916 1.00 0.45 H new ATOM 0 HE3 LYS A 51 2.825 9.484 -7.190 1.00 0.45 H new ATOM 0 HZ1 LYS A 51 1.883 10.315 -9.242 1.00 1.47 H new ATOM 0 HZ2 LYS A 51 1.232 8.789 -8.882 1.00 1.47 H new ATOM 0 HZ3 LYS A 51 0.310 10.190 -8.617 1.00 1.47 H new ATOM 780 N LEU A 52 1.508 8.026 -0.483 1.00 0.09 N ATOM 781 CA LEU A 52 1.157 7.073 0.557 1.00 0.08 C ATOM 782 C LEU A 52 0.259 7.723 1.604 1.00 0.09 C ATOM 783 O LEU A 52 -0.694 7.109 2.075 1.00 0.09 O ATOM 784 CB LEU A 52 2.399 6.500 1.215 1.00 0.08 C ATOM 785 CG LEU A 52 2.261 5.085 1.752 1.00 0.08 C ATOM 786 CD1 LEU A 52 2.438 5.090 3.240 1.00 0.07 C ATOM 787 CD2 LEU A 52 0.934 4.444 1.369 1.00 0.08 C ATOM 0 H LEU A 52 2.487 8.313 -0.494 1.00 0.09 H new ATOM 0 HA LEU A 52 0.610 6.255 0.087 1.00 0.08 H new ATOM 0 HB2 LEU A 52 3.213 6.517 0.491 1.00 0.08 H new ATOM 0 HB3 LEU A 52 2.689 7.155 2.037 1.00 0.08 H new ATOM 0 HG LEU A 52 3.043 4.479 1.294 1.00 0.08 H new ATOM 0 HD11 LEU A 52 2.338 4.074 3.622 1.00 0.07 H new ATOM 0 HD12 LEU A 52 3.427 5.475 3.487 1.00 0.07 H new ATOM 0 HD13 LEU A 52 1.677 5.725 3.695 1.00 0.07 H new ATOM 0 HD21 LEU A 52 0.886 3.434 1.777 1.00 0.08 H new ATOM 0 HD22 LEU A 52 0.113 5.038 1.772 1.00 0.08 H new ATOM 0 HD23 LEU A 52 0.851 4.400 0.283 1.00 0.08 H new ATOM 799 N SER A 53 0.549 8.964 1.959 1.00 0.10 N ATOM 800 CA SER A 53 -0.351 9.724 2.814 1.00 0.11 C ATOM 801 C SER A 53 -1.630 10.032 2.049 1.00 0.11 C ATOM 802 O SER A 53 -2.668 10.342 2.628 1.00 0.13 O ATOM 803 CB SER A 53 0.320 11.008 3.297 1.00 0.14 C ATOM 804 OG SER A 53 1.476 10.712 4.065 1.00 1.25 O ATOM 0 H SER A 53 1.391 9.463 1.673 1.00 0.10 H new ATOM 0 HA SER A 53 -0.598 9.131 3.695 1.00 0.11 H new ATOM 0 HB2 SER A 53 0.594 11.625 2.441 1.00 0.14 H new ATOM 0 HB3 SER A 53 -0.382 11.588 3.896 1.00 0.14 H new ATOM 0 HG SER A 53 1.893 11.547 4.364 1.00 1.25 H new ATOM 810 N GLN A 54 -1.541 9.911 0.732 1.00 0.10 N ATOM 811 CA GLN A 54 -2.684 10.035 -0.131 1.00 0.11 C ATOM 812 C GLN A 54 -3.458 8.721 -0.165 1.00 0.09 C ATOM 813 O GLN A 54 -4.670 8.704 -0.218 1.00 0.10 O ATOM 814 CB GLN A 54 -2.235 10.399 -1.521 1.00 0.12 C ATOM 815 CG GLN A 54 -3.378 10.600 -2.474 1.00 0.17 C ATOM 816 CD GLN A 54 -3.433 11.996 -3.039 1.00 0.69 C ATOM 817 OE1 GLN A 54 -4.031 12.896 -2.455 1.00 1.24 O ATOM 818 NE2 GLN A 54 -2.829 12.172 -4.191 1.00 0.70 N ATOM 0 H GLN A 54 -0.667 9.724 0.241 1.00 0.10 H new ATOM 0 HA GLN A 54 -3.336 10.820 0.253 1.00 0.11 H new ATOM 0 HB2 GLN A 54 -1.641 11.312 -1.477 1.00 0.12 H new ATOM 0 HB3 GLN A 54 -1.584 9.613 -1.904 1.00 0.12 H new ATOM 0 HG2 GLN A 54 -3.292 9.885 -3.293 1.00 0.17 H new ATOM 0 HG3 GLN A 54 -4.315 10.384 -1.960 1.00 0.17 H new ATOM 0 HE21 GLN A 54 -2.345 11.393 -4.637 1.00 0.70 H new ATOM 0 HE22 GLN A 54 -2.844 13.088 -4.640 1.00 0.70 H new ATOM 827 N LEU A 55 -2.725 7.624 -0.138 1.00 0.08 N ATOM 828 CA LEU A 55 -3.280 6.295 -0.049 1.00 0.07 C ATOM 829 C LEU A 55 -3.921 6.133 1.311 1.00 0.07 C ATOM 830 O LEU A 55 -4.863 5.369 1.492 1.00 0.08 O ATOM 831 CB LEU A 55 -2.144 5.300 -0.259 1.00 0.06 C ATOM 832 CG LEU A 55 -2.442 4.109 -1.160 1.00 0.06 C ATOM 833 CD1 LEU A 55 -3.010 2.961 -0.352 1.00 0.06 C ATOM 834 CD2 LEU A 55 -3.392 4.501 -2.282 1.00 0.10 C ATOM 0 H LEU A 55 -1.706 7.637 -0.178 1.00 0.08 H new ATOM 0 HA LEU A 55 -4.044 6.120 -0.807 1.00 0.07 H new ATOM 0 HB2 LEU A 55 -1.292 5.838 -0.675 1.00 0.06 H new ATOM 0 HB3 LEU A 55 -1.837 4.922 0.716 1.00 0.06 H new ATOM 0 HG LEU A 55 -1.506 3.781 -1.612 1.00 0.06 H new ATOM 0 HD11 LEU A 55 -3.217 2.119 -1.012 1.00 0.06 H new ATOM 0 HD12 LEU A 55 -2.289 2.658 0.407 1.00 0.06 H new ATOM 0 HD13 LEU A 55 -3.934 3.278 0.132 1.00 0.06 H new ATOM 0 HD21 LEU A 55 -3.589 3.633 -2.912 1.00 0.10 H new ATOM 0 HD22 LEU A 55 -4.329 4.861 -1.857 1.00 0.10 H new ATOM 0 HD23 LEU A 55 -2.940 5.290 -2.883 1.00 0.10 H new ATOM 846 N LYS A 56 -3.413 6.904 2.258 1.00 0.07 N ATOM 847 CA LYS A 56 -3.990 6.971 3.586 1.00 0.08 C ATOM 848 C LYS A 56 -5.179 7.895 3.552 1.00 0.09 C ATOM 849 O LYS A 56 -6.091 7.808 4.359 1.00 0.12 O ATOM 850 CB LYS A 56 -2.963 7.494 4.582 1.00 0.10 C ATOM 851 CG LYS A 56 -3.371 7.322 6.033 1.00 0.11 C ATOM 852 CD LYS A 56 -4.336 6.166 6.201 1.00 0.11 C ATOM 853 CE LYS A 56 -4.489 5.772 7.659 1.00 0.20 C ATOM 854 NZ LYS A 56 -3.173 5.554 8.326 1.00 0.82 N1+ ATOM 0 H LYS A 56 -2.594 7.497 2.127 1.00 0.07 H new ATOM 0 HA LYS A 56 -4.300 5.974 3.898 1.00 0.08 H new ATOM 0 HB2 LYS A 56 -2.017 6.979 4.417 1.00 0.10 H new ATOM 0 HB3 LYS A 56 -2.788 8.552 4.387 1.00 0.10 H new ATOM 0 HG2 LYS A 56 -2.485 7.150 6.644 1.00 0.11 H new ATOM 0 HG3 LYS A 56 -3.834 8.240 6.394 1.00 0.11 H new ATOM 0 HD2 LYS A 56 -5.309 6.442 5.794 1.00 0.11 H new ATOM 0 HD3 LYS A 56 -3.982 5.309 5.627 1.00 0.11 H new ATOM 0 HE2 LYS A 56 -5.038 6.551 8.188 1.00 0.20 H new ATOM 0 HE3 LYS A 56 -5.084 4.861 7.727 1.00 0.20 H new ATOM 0 HZ1 LYS A 56 -3.303 4.948 9.161 1.00 0.82 H new ATOM 0 HZ2 LYS A 56 -2.520 5.092 7.662 1.00 0.82 H new ATOM 0 HZ3 LYS A 56 -2.777 6.470 8.620 1.00 0.82 H new ATOM 868 N THR A 57 -5.137 8.771 2.588 1.00 0.09 N ATOM 869 CA THR A 57 -6.179 9.726 2.362 1.00 0.10 C ATOM 870 C THR A 57 -7.348 9.050 1.672 1.00 0.09 C ATOM 871 O THR A 57 -8.502 9.326 1.956 1.00 0.11 O ATOM 872 CB THR A 57 -5.639 10.886 1.515 1.00 0.11 C ATOM 873 OG1 THR A 57 -5.538 12.086 2.290 1.00 0.14 O ATOM 874 CG2 THR A 57 -6.470 11.121 0.276 1.00 0.12 C ATOM 0 H THR A 57 -4.363 8.841 1.927 1.00 0.09 H new ATOM 0 HA THR A 57 -6.526 10.127 3.315 1.00 0.10 H new ATOM 0 HB THR A 57 -4.639 10.600 1.187 1.00 0.11 H new ATOM 0 HG1 THR A 57 -5.190 12.810 1.728 1.00 0.14 H new ATOM 0 HG21 THR A 57 -6.050 11.951 -0.292 1.00 0.12 H new ATOM 0 HG22 THR A 57 -6.467 10.222 -0.340 1.00 0.12 H new ATOM 0 HG23 THR A 57 -7.494 11.360 0.564 1.00 0.12 H new ATOM 882 N LEU A 58 -7.022 8.167 0.754 1.00 0.09 N ATOM 883 CA LEU A 58 -7.992 7.378 0.064 1.00 0.09 C ATOM 884 C LEU A 58 -8.545 6.321 0.982 1.00 0.09 C ATOM 885 O LEU A 58 -9.730 6.052 0.980 1.00 0.12 O ATOM 886 CB LEU A 58 -7.307 6.798 -1.144 1.00 0.11 C ATOM 887 CG LEU A 58 -6.805 7.869 -2.089 1.00 0.11 C ATOM 888 CD1 LEU A 58 -5.634 7.353 -2.895 1.00 0.13 C ATOM 889 CD2 LEU A 58 -7.941 8.349 -2.973 1.00 0.16 C ATOM 0 H LEU A 58 -6.060 7.982 0.469 1.00 0.09 H new ATOM 0 HA LEU A 58 -8.846 7.974 -0.259 1.00 0.09 H new ATOM 0 HB2 LEU A 58 -6.470 6.179 -0.822 1.00 0.11 H new ATOM 0 HB3 LEU A 58 -8.001 6.145 -1.674 1.00 0.11 H new ATOM 0 HG LEU A 58 -6.448 8.724 -1.515 1.00 0.11 H new ATOM 0 HD11 LEU A 58 -5.284 8.134 -3.570 1.00 0.13 H new ATOM 0 HD12 LEU A 58 -4.826 7.067 -2.221 1.00 0.13 H new ATOM 0 HD13 LEU A 58 -5.946 6.485 -3.476 1.00 0.13 H new ATOM 0 HD21 LEU A 58 -7.574 9.120 -3.651 1.00 0.16 H new ATOM 0 HD22 LEU A 58 -8.330 7.512 -3.552 1.00 0.16 H new ATOM 0 HD23 LEU A 58 -8.736 8.761 -2.352 1.00 0.16 H new ATOM 901 N LEU A 59 -7.679 5.744 1.786 1.00 0.07 N ATOM 902 CA LEU A 59 -8.110 4.884 2.872 1.00 0.07 C ATOM 903 C LEU A 59 -8.936 5.695 3.862 1.00 0.09 C ATOM 904 O LEU A 59 -9.879 5.193 4.444 1.00 0.11 O ATOM 905 CB LEU A 59 -6.888 4.302 3.567 1.00 0.07 C ATOM 906 CG LEU A 59 -7.096 2.964 4.268 1.00 0.08 C ATOM 907 CD1 LEU A 59 -7.115 3.152 5.746 1.00 0.09 C ATOM 908 CD2 LEU A 59 -8.387 2.323 3.852 1.00 0.08 C ATOM 0 H LEU A 59 -6.668 5.854 1.710 1.00 0.07 H new ATOM 0 HA LEU A 59 -8.721 4.071 2.480 1.00 0.07 H new ATOM 0 HB2 LEU A 59 -6.095 4.184 2.828 1.00 0.07 H new ATOM 0 HB3 LEU A 59 -6.533 5.024 4.302 1.00 0.07 H new ATOM 0 HG LEU A 59 -6.268 2.316 3.981 1.00 0.08 H new ATOM 0 HD11 LEU A 59 -7.264 2.189 6.233 1.00 0.09 H new ATOM 0 HD12 LEU A 59 -6.166 3.580 6.071 1.00 0.09 H new ATOM 0 HD13 LEU A 59 -7.928 3.825 6.017 1.00 0.09 H new ATOM 0 HD21 LEU A 59 -8.504 1.371 4.370 1.00 0.08 H new ATOM 0 HD22 LEU A 59 -9.218 2.980 4.108 1.00 0.08 H new ATOM 0 HD23 LEU A 59 -8.378 2.151 2.776 1.00 0.08 H new ATOM 920 N ASP A 60 -8.560 6.945 4.053 1.00 0.09 N ATOM 921 CA ASP A 60 -9.369 7.898 4.817 1.00 0.11 C ATOM 922 C ASP A 60 -10.724 8.051 4.161 1.00 0.12 C ATOM 923 O ASP A 60 -11.721 8.387 4.793 1.00 0.16 O ATOM 924 CB ASP A 60 -8.728 9.281 4.826 1.00 0.17 C ATOM 925 CG ASP A 60 -8.950 10.054 6.106 1.00 0.42 C ATOM 926 OD1 ASP A 60 -7.985 10.222 6.879 1.00 0.66 O ATOM 927 OD2 ASP A 60 -10.102 10.459 6.371 1.00 0.66 O1- ATOM 0 H ASP A 60 -7.691 7.335 3.688 1.00 0.09 H new ATOM 0 HA ASP A 60 -9.452 7.515 5.834 1.00 0.11 H new ATOM 0 HB2 ASP A 60 -7.656 9.174 4.659 1.00 0.17 H new ATOM 0 HB3 ASP A 60 -9.124 9.859 3.991 1.00 0.17 H new ATOM 932 N LYS A 61 -10.731 7.841 2.865 1.00 0.12 N ATOM 933 CA LYS A 61 -11.947 7.898 2.096 1.00 0.14 C ATOM 934 C LYS A 61 -12.721 6.616 2.271 1.00 0.12 C ATOM 935 O LYS A 61 -13.917 6.539 2.023 1.00 0.17 O ATOM 936 CB LYS A 61 -11.625 8.160 0.637 1.00 0.19 C ATOM 937 CG LYS A 61 -10.946 9.486 0.455 1.00 0.25 C ATOM 938 CD LYS A 61 -11.071 10.005 -0.969 1.00 0.39 C ATOM 939 CE LYS A 61 -10.406 11.366 -1.128 1.00 1.20 C ATOM 940 NZ LYS A 61 -11.035 12.401 -0.266 1.00 1.92 N1+ ATOM 0 H LYS A 61 -9.897 7.627 2.319 1.00 0.12 H new ATOM 0 HA LYS A 61 -12.569 8.719 2.453 1.00 0.14 H new ATOM 0 HB2 LYS A 61 -10.983 7.366 0.256 1.00 0.19 H new ATOM 0 HB3 LYS A 61 -12.543 8.136 0.050 1.00 0.19 H new ATOM 0 HG2 LYS A 61 -11.379 10.212 1.144 1.00 0.25 H new ATOM 0 HG3 LYS A 61 -9.891 9.391 0.714 1.00 0.25 H new ATOM 0 HD2 LYS A 61 -10.615 9.294 -1.658 1.00 0.39 H new ATOM 0 HD3 LYS A 61 -12.124 10.080 -1.239 1.00 0.39 H new ATOM 0 HE2 LYS A 61 -9.348 11.283 -0.880 1.00 1.20 H new ATOM 0 HE3 LYS A 61 -10.466 11.678 -2.171 1.00 1.20 H new ATOM 0 HZ1 LYS A 61 -10.721 13.344 -0.571 1.00 1.92 H new ATOM 0 HZ2 LYS A 61 -12.070 12.338 -0.346 1.00 1.92 H new ATOM 0 HZ3 LYS A 61 -10.755 12.246 0.723 1.00 1.92 H new ATOM 954 N LEU A 62 -12.018 5.632 2.758 1.00 0.10 N ATOM 955 CA LEU A 62 -12.618 4.358 3.081 1.00 0.11 C ATOM 956 C LEU A 62 -13.033 4.398 4.519 1.00 0.12 C ATOM 957 O LEU A 62 -13.856 3.614 4.971 1.00 0.14 O ATOM 958 CB LEU A 62 -11.661 3.185 2.862 1.00 0.11 C ATOM 959 CG LEU A 62 -11.490 2.728 1.419 1.00 0.11 C ATOM 960 CD1 LEU A 62 -12.696 3.117 0.627 1.00 0.13 C ATOM 961 CD2 LEU A 62 -10.249 3.293 0.786 1.00 0.11 C ATOM 0 H LEU A 62 -11.016 5.685 2.943 1.00 0.10 H new ATOM 0 HA LEU A 62 -13.469 4.200 2.419 1.00 0.11 H new ATOM 0 HB2 LEU A 62 -10.682 3.461 3.254 1.00 0.11 H new ATOM 0 HB3 LEU A 62 -12.013 2.339 3.452 1.00 0.11 H new ATOM 0 HG LEU A 62 -11.381 1.643 1.423 1.00 0.11 H new ATOM 0 HD11 LEU A 62 -12.574 2.790 -0.406 1.00 0.13 H new ATOM 0 HD12 LEU A 62 -13.580 2.645 1.055 1.00 0.13 H new ATOM 0 HD13 LEU A 62 -12.815 4.200 0.653 1.00 0.13 H new ATOM 0 HD21 LEU A 62 -10.171 2.939 -0.242 1.00 0.11 H new ATOM 0 HD22 LEU A 62 -10.301 4.382 0.791 1.00 0.11 H new ATOM 0 HD23 LEU A 62 -9.374 2.969 1.349 1.00 0.11 H new ATOM 973 N GLU A 63 -12.394 5.295 5.238 1.00 0.11 N ATOM 974 CA GLU A 63 -12.711 5.545 6.620 1.00 0.14 C ATOM 975 C GLU A 63 -14.198 5.764 6.814 1.00 0.16 C ATOM 976 O GLU A 63 -14.810 6.595 6.141 1.00 0.20 O ATOM 977 CB GLU A 63 -11.943 6.747 7.134 1.00 0.16 C ATOM 978 CG GLU A 63 -10.609 6.396 7.763 1.00 0.17 C ATOM 979 CD GLU A 63 -9.992 7.529 8.557 1.00 0.85 C ATOM 980 OE1 GLU A 63 -8.750 7.604 8.634 1.00 1.29 O ATOM 981 OE2 GLU A 63 -10.748 8.377 9.076 1.00 1.75 O1- ATOM 0 H GLU A 63 -11.636 5.873 4.875 1.00 0.11 H new ATOM 0 HA GLU A 63 -12.417 4.663 7.189 1.00 0.14 H new ATOM 0 HB2 GLU A 63 -11.774 7.439 6.309 1.00 0.16 H new ATOM 0 HB3 GLU A 63 -12.555 7.270 7.869 1.00 0.16 H new ATOM 0 HG2 GLU A 63 -10.742 5.535 8.418 1.00 0.17 H new ATOM 0 HG3 GLU A 63 -9.915 6.095 6.978 1.00 0.17 H new ATOM 988 N GLY A 64 -14.774 5.005 7.726 1.00 0.18 N ATOM 989 CA GLY A 64 -16.193 5.084 7.955 1.00 0.20 C ATOM 990 C GLY A 64 -16.943 4.077 7.113 1.00 0.20 C ATOM 991 O GLY A 64 -18.153 3.915 7.250 1.00 0.26 O ATOM 0 H GLY A 64 -14.281 4.333 8.314 1.00 0.18 H new ATOM 0 HA2 GLY A 64 -16.403 4.908 9.010 1.00 0.20 H new ATOM 0 HA3 GLY A 64 -16.545 6.089 7.723 1.00 0.20 H new ATOM 995 N SER A 65 -16.217 3.414 6.222 1.00 0.16 N ATOM 996 CA SER A 65 -16.797 2.389 5.373 1.00 0.16 C ATOM 997 C SER A 65 -16.269 1.017 5.788 1.00 0.18 C ATOM 998 O SER A 65 -15.369 0.925 6.623 1.00 0.25 O ATOM 999 CB SER A 65 -16.442 2.697 3.923 1.00 0.19 C ATOM 1000 OG SER A 65 -16.504 4.093 3.687 1.00 0.27 O ATOM 0 H SER A 65 -15.221 3.571 6.070 1.00 0.16 H new ATOM 0 HA SER A 65 -17.882 2.378 5.478 1.00 0.16 H new ATOM 0 HB2 SER A 65 -15.441 2.328 3.700 1.00 0.19 H new ATOM 0 HB3 SER A 65 -17.129 2.178 3.255 1.00 0.19 H new ATOM 0 HG SER A 65 -15.678 4.515 4.004 1.00 0.27 H new ATOM 1006 N ARG A 66 -16.817 -0.047 5.210 1.00 0.21 N ATOM 1007 CA ARG A 66 -16.339 -1.394 5.507 1.00 0.22 C ATOM 1008 C ARG A 66 -15.106 -1.707 4.682 1.00 0.21 C ATOM 1009 O ARG A 66 -14.247 -2.492 5.084 1.00 0.24 O ATOM 1010 CB ARG A 66 -17.416 -2.434 5.235 1.00 0.26 C ATOM 1011 CG ARG A 66 -17.980 -2.345 3.845 1.00 0.47 C ATOM 1012 CD ARG A 66 -18.222 -3.710 3.237 1.00 0.47 C ATOM 1013 NE ARG A 66 -17.009 -4.269 2.645 1.00 1.46 N ATOM 1014 CZ ARG A 66 -16.366 -5.345 3.102 1.00 1.87 C ATOM 1015 NH1 ARG A 66 -16.788 -5.967 4.198 1.00 1.50 N1+ ATOM 1016 NH2 ARG A 66 -15.292 -5.793 2.461 1.00 3.05 N ATOM 0 H ARG A 66 -17.585 -0.005 4.540 1.00 0.21 H new ATOM 0 HA ARG A 66 -16.085 -1.432 6.566 1.00 0.22 H new ATOM 0 HB2 ARG A 66 -16.999 -3.429 5.389 1.00 0.26 H new ATOM 0 HB3 ARG A 66 -18.223 -2.311 5.957 1.00 0.26 H new ATOM 0 HG2 ARG A 66 -18.917 -1.789 3.870 1.00 0.47 H new ATOM 0 HG3 ARG A 66 -17.293 -1.784 3.211 1.00 0.47 H new ATOM 0 HD2 ARG A 66 -18.596 -4.387 4.005 1.00 0.47 H new ATOM 0 HD3 ARG A 66 -18.996 -3.635 2.474 1.00 0.47 H new ATOM 0 HE ARG A 66 -16.626 -3.803 1.823 1.00 1.46 H new ATOM 0 HH11 ARG A 66 -17.609 -5.622 4.696 1.00 1.50 H new ATOM 0 HH12 ARG A 66 -16.291 -6.789 4.541 1.00 1.50 H new ATOM 0 HH21 ARG A 66 -14.962 -5.315 1.623 1.00 3.05 H new ATOM 0 HH22 ARG A 66 -14.798 -6.615 2.807 1.00 3.05 H new ATOM 1030 N GLU A 67 -15.028 -1.064 3.529 1.00 0.19 N ATOM 1031 CA GLU A 67 -13.919 -1.196 2.625 1.00 0.18 C ATOM 1032 C GLU A 67 -12.650 -0.796 3.292 1.00 0.15 C ATOM 1033 O GLU A 67 -11.604 -1.368 3.060 1.00 0.14 O ATOM 1034 CB GLU A 67 -14.196 -0.314 1.452 1.00 0.19 C ATOM 1035 CG GLU A 67 -14.772 -1.075 0.319 1.00 0.33 C ATOM 1036 CD GLU A 67 -16.107 -1.692 0.660 1.00 1.54 C ATOM 1037 OE1 GLU A 67 -16.274 -2.911 0.443 1.00 1.70 O ATOM 1038 OE2 GLU A 67 -16.976 -0.972 1.188 1.00 2.51 O1- ATOM 0 H GLU A 67 -15.752 -0.426 3.197 1.00 0.19 H new ATOM 0 HA GLU A 67 -13.805 -2.232 2.307 1.00 0.18 H new ATOM 0 HB2 GLU A 67 -14.885 0.478 1.746 1.00 0.19 H new ATOM 0 HB3 GLU A 67 -13.272 0.169 1.134 1.00 0.19 H new ATOM 0 HG2 GLU A 67 -14.890 -0.412 -0.538 1.00 0.33 H new ATOM 0 HG3 GLU A 67 -14.077 -1.860 0.022 1.00 0.33 H new ATOM 1045 N HIS A 68 -12.793 0.196 4.124 1.00 0.14 N ATOM 1046 CA HIS A 68 -11.728 0.685 4.975 1.00 0.13 C ATOM 1047 C HIS A 68 -10.904 -0.416 5.557 1.00 0.14 C ATOM 1048 O HIS A 68 -9.717 -0.329 5.571 1.00 0.13 O ATOM 1049 CB HIS A 68 -12.293 1.447 6.131 1.00 0.15 C ATOM 1050 CG HIS A 68 -11.243 2.219 6.817 1.00 0.15 C ATOM 1051 ND1 HIS A 68 -10.527 3.234 6.351 1.00 0.17 N flip ATOM 1052 CD2 HIS A 68 -10.767 1.959 8.075 1.00 0.14 C flip ATOM 1053 CE1 HIS A 68 -9.632 3.583 7.305 1.00 0.17 C flip ATOM 1054 NE2 HIS A 68 -9.789 2.801 8.332 1.00 0.15 N flip ATOM 0 H HIS A 68 -13.670 0.704 4.237 1.00 0.14 H new ATOM 0 HA HIS A 68 -11.105 1.312 4.337 1.00 0.13 H new ATOM 0 HB2 HIS A 68 -13.074 2.121 5.780 1.00 0.15 H new ATOM 0 HB3 HIS A 68 -12.759 0.756 6.833 1.00 0.15 H new ATOM 0 HD1 HIS A 68 -10.632 3.673 5.436 1.00 0.17 H new ATOM 0 HD2 HIS A 68 -11.132 1.193 8.743 1.00 0.14 H new ATOM 0 HE1 HIS A 68 -8.907 4.380 7.226 1.00 0.17 H new ATOM 1063 N THR A 69 -11.554 -1.409 6.075 1.00 0.15 N ATOM 1064 CA THR A 69 -10.877 -2.536 6.685 1.00 0.16 C ATOM 1065 C THR A 69 -9.910 -3.172 5.722 1.00 0.15 C ATOM 1066 O THR A 69 -8.720 -3.337 5.976 1.00 0.15 O ATOM 1067 CB THR A 69 -11.898 -3.595 7.013 1.00 0.19 C ATOM 1068 OG1 THR A 69 -12.814 -3.138 8.015 1.00 0.22 O ATOM 1069 CG2 THR A 69 -11.221 -4.878 7.430 1.00 0.21 C ATOM 0 H THR A 69 -12.572 -1.472 6.093 1.00 0.15 H new ATOM 0 HA THR A 69 -10.351 -2.172 7.568 1.00 0.16 H new ATOM 0 HB THR A 69 -12.476 -3.799 6.112 1.00 0.19 H new ATOM 0 HG1 THR A 69 -13.467 -3.843 8.208 1.00 0.22 H new ATOM 0 HG21 THR A 69 -11.976 -5.629 7.662 1.00 0.21 H new ATOM 0 HG22 THR A 69 -10.590 -5.237 6.617 1.00 0.21 H new ATOM 0 HG23 THR A 69 -10.607 -4.696 8.312 1.00 0.21 H new ATOM 1077 N LEU A 70 -10.487 -3.484 4.604 1.00 0.15 N ATOM 1078 CA LEU A 70 -9.870 -4.195 3.537 1.00 0.16 C ATOM 1079 C LEU A 70 -8.781 -3.350 3.014 1.00 0.13 C ATOM 1080 O LEU A 70 -7.653 -3.770 2.838 1.00 0.12 O ATOM 1081 CB LEU A 70 -10.980 -4.464 2.503 1.00 0.18 C ATOM 1082 CG LEU A 70 -10.594 -4.688 1.037 1.00 0.20 C ATOM 1083 CD1 LEU A 70 -10.444 -3.366 0.299 1.00 0.19 C ATOM 1084 CD2 LEU A 70 -9.339 -5.536 0.938 1.00 0.21 C ATOM 0 H LEU A 70 -11.455 -3.234 4.404 1.00 0.15 H new ATOM 0 HA LEU A 70 -9.429 -5.148 3.830 1.00 0.16 H new ATOM 0 HB2 LEU A 70 -11.533 -5.343 2.835 1.00 0.18 H new ATOM 0 HB3 LEU A 70 -11.671 -3.622 2.536 1.00 0.18 H new ATOM 0 HG LEU A 70 -11.401 -5.235 0.550 1.00 0.20 H new ATOM 0 HD11 LEU A 70 -10.170 -3.558 -0.738 1.00 0.19 H new ATOM 0 HD12 LEU A 70 -11.388 -2.823 0.330 1.00 0.19 H new ATOM 0 HD13 LEU A 70 -9.666 -2.769 0.776 1.00 0.19 H new ATOM 0 HD21 LEU A 70 -9.081 -5.684 -0.111 1.00 0.21 H new ATOM 0 HD22 LEU A 70 -8.517 -5.031 1.446 1.00 0.21 H new ATOM 0 HD23 LEU A 70 -9.516 -6.504 1.408 1.00 0.21 H new ATOM 1096 N ALA A 71 -9.147 -2.134 2.879 1.00 0.11 N ATOM 1097 CA ALA A 71 -8.345 -1.161 2.254 1.00 0.09 C ATOM 1098 C ALA A 71 -7.313 -0.614 3.209 1.00 0.07 C ATOM 1099 O ALA A 71 -6.313 -0.096 2.795 1.00 0.06 O ATOM 1100 CB ALA A 71 -9.255 -0.092 1.740 1.00 0.10 C ATOM 0 H ALA A 71 -10.043 -1.778 3.212 1.00 0.11 H new ATOM 0 HA ALA A 71 -7.786 -1.597 1.426 1.00 0.09 H new ATOM 0 HB1 ALA A 71 -8.666 0.682 1.248 1.00 0.10 H new ATOM 0 HB2 ALA A 71 -9.956 -0.524 1.026 1.00 0.10 H new ATOM 0 HB3 ALA A 71 -9.807 0.346 2.571 1.00 0.10 H new ATOM 1106 N LYS A 72 -7.566 -0.735 4.488 1.00 0.08 N ATOM 1107 CA LYS A 72 -6.605 -0.411 5.487 1.00 0.09 C ATOM 1108 C LYS A 72 -5.642 -1.528 5.508 1.00 0.10 C ATOM 1109 O LYS A 72 -4.461 -1.356 5.715 1.00 0.10 O ATOM 1110 CB LYS A 72 -7.272 -0.307 6.826 1.00 0.11 C ATOM 1111 CG LYS A 72 -6.330 0.127 7.901 1.00 0.14 C ATOM 1112 CD LYS A 72 -7.017 1.071 8.850 1.00 0.17 C ATOM 1113 CE LYS A 72 -6.393 1.054 10.235 1.00 0.22 C ATOM 1114 NZ LYS A 72 -6.578 -0.254 10.917 1.00 1.35 N1+ ATOM 0 H LYS A 72 -8.457 -1.065 4.859 1.00 0.08 H new ATOM 0 HA LYS A 72 -6.119 0.541 5.273 1.00 0.09 H new ATOM 0 HB2 LYS A 72 -8.098 0.402 6.763 1.00 0.11 H new ATOM 0 HB3 LYS A 72 -7.701 -1.273 7.091 1.00 0.11 H new ATOM 0 HG2 LYS A 72 -5.963 -0.743 8.445 1.00 0.14 H new ATOM 0 HG3 LYS A 72 -5.462 0.615 7.458 1.00 0.14 H new ATOM 0 HD2 LYS A 72 -6.973 2.083 8.447 1.00 0.17 H new ATOM 0 HD3 LYS A 72 -8.071 0.803 8.926 1.00 0.17 H new ATOM 0 HE2 LYS A 72 -5.328 1.273 10.155 1.00 0.22 H new ATOM 0 HE3 LYS A 72 -6.836 1.844 10.841 1.00 0.22 H new ATOM 0 HZ1 LYS A 72 -6.522 -0.120 11.947 1.00 1.35 H new ATOM 0 HZ2 LYS A 72 -7.509 -0.646 10.669 1.00 1.35 H new ATOM 0 HZ3 LYS A 72 -5.833 -0.913 10.613 1.00 1.35 H new ATOM 1128 N SER A 73 -6.182 -2.692 5.256 1.00 0.10 N ATOM 1129 CA SER A 73 -5.364 -3.857 5.183 1.00 0.12 C ATOM 1130 C SER A 73 -4.592 -3.862 3.866 1.00 0.11 C ATOM 1131 O SER A 73 -3.603 -4.569 3.722 1.00 0.13 O ATOM 1132 CB SER A 73 -6.196 -5.131 5.344 1.00 0.16 C ATOM 1133 OG SER A 73 -5.389 -6.297 5.269 1.00 1.18 O ATOM 0 H SER A 73 -7.178 -2.850 5.100 1.00 0.10 H new ATOM 0 HA SER A 73 -4.650 -3.835 6.007 1.00 0.12 H new ATOM 0 HB2 SER A 73 -6.715 -5.108 6.302 1.00 0.16 H new ATOM 0 HB3 SER A 73 -6.961 -5.167 4.568 1.00 0.16 H new ATOM 0 HG SER A 73 -5.952 -7.092 5.377 1.00 1.18 H new ATOM 1139 N LYS A 74 -5.069 -3.085 2.900 1.00 0.09 N ATOM 1140 CA LYS A 74 -4.344 -2.847 1.680 1.00 0.08 C ATOM 1141 C LYS A 74 -3.354 -1.757 1.895 1.00 0.06 C ATOM 1142 O LYS A 74 -2.163 -1.907 1.669 1.00 0.05 O ATOM 1143 CB LYS A 74 -5.306 -2.434 0.613 1.00 0.08 C ATOM 1144 CG LYS A 74 -6.331 -3.483 0.372 1.00 0.10 C ATOM 1145 CD LYS A 74 -7.348 -3.002 -0.586 1.00 0.12 C ATOM 1146 CE LYS A 74 -7.037 -3.571 -1.921 1.00 0.22 C ATOM 1147 NZ LYS A 74 -7.372 -5.018 -2.024 1.00 1.02 N1+ ATOM 0 H LYS A 74 -5.969 -2.608 2.951 1.00 0.09 H new ATOM 0 HA LYS A 74 -3.824 -3.757 1.380 1.00 0.08 H new ATOM 0 HB2 LYS A 74 -5.796 -1.504 0.902 1.00 0.08 H new ATOM 0 HB3 LYS A 74 -4.763 -2.234 -0.311 1.00 0.08 H new ATOM 0 HG2 LYS A 74 -5.854 -4.383 -0.016 1.00 0.10 H new ATOM 0 HG3 LYS A 74 -6.809 -3.756 1.313 1.00 0.10 H new ATOM 0 HD2 LYS A 74 -8.345 -3.306 -0.266 1.00 0.12 H new ATOM 0 HD3 LYS A 74 -7.345 -1.913 -0.628 1.00 0.12 H new ATOM 0 HE2 LYS A 74 -7.588 -3.020 -2.683 1.00 0.22 H new ATOM 0 HE3 LYS A 74 -5.977 -3.432 -2.132 1.00 0.22 H new ATOM 0 HZ1 LYS A 74 -6.748 -5.470 -2.723 1.00 1.02 H new ATOM 0 HZ2 LYS A 74 -7.240 -5.472 -1.097 1.00 1.02 H new ATOM 0 HZ3 LYS A 74 -8.362 -5.125 -2.324 1.00 1.02 H new ATOM 1161 N TYR A 75 -3.894 -0.661 2.348 1.00 0.05 N ATOM 1162 CA TYR A 75 -3.148 0.515 2.642 1.00 0.04 C ATOM 1163 C TYR A 75 -1.979 0.202 3.542 1.00 0.05 C ATOM 1164 O TYR A 75 -0.853 0.480 3.200 1.00 0.05 O ATOM 1165 CB TYR A 75 -4.038 1.527 3.341 1.00 0.05 C ATOM 1166 CG TYR A 75 -3.214 2.536 4.093 1.00 0.05 C ATOM 1167 CD1 TYR A 75 -3.008 2.405 5.454 1.00 0.09 C ATOM 1168 CD2 TYR A 75 -2.595 3.578 3.424 1.00 0.07 C ATOM 1169 CE1 TYR A 75 -2.204 3.296 6.133 1.00 0.15 C ATOM 1170 CE2 TYR A 75 -1.796 4.478 4.088 1.00 0.13 C ATOM 1171 CZ TYR A 75 -1.600 4.334 5.446 1.00 0.08 C ATOM 1172 OH TYR A 75 -0.803 5.229 6.124 1.00 0.25 O ATOM 0 H TYR A 75 -4.894 -0.565 2.526 1.00 0.05 H new ATOM 0 HA TYR A 75 -2.777 0.921 1.701 1.00 0.04 H new ATOM 0 HB2 TYR A 75 -4.663 2.036 2.607 1.00 0.05 H new ATOM 0 HB3 TYR A 75 -4.709 1.013 4.030 1.00 0.05 H new ATOM 0 HD1 TYR A 75 -3.482 1.596 5.991 1.00 0.09 H new ATOM 0 HD2 TYR A 75 -2.743 3.686 2.360 1.00 0.07 H new ATOM 0 HE1 TYR A 75 -2.047 3.184 7.196 1.00 0.15 H new ATOM 0 HE2 TYR A 75 -1.326 5.290 3.552 1.00 0.13 H new ATOM 0 HH TYR A 75 -0.454 5.896 5.497 1.00 0.25 H new ATOM 1182 N ASP A 76 -2.273 -0.399 4.685 1.00 0.06 N ATOM 1183 CA ASP A 76 -1.293 -0.589 5.739 1.00 0.08 C ATOM 1184 C ASP A 76 -0.211 -1.481 5.213 1.00 0.09 C ATOM 1185 O ASP A 76 0.968 -1.344 5.510 1.00 0.13 O ATOM 1186 CB ASP A 76 -1.915 -1.280 6.943 1.00 0.13 C ATOM 1187 CG ASP A 76 -1.418 -0.731 8.265 1.00 0.39 C ATOM 1188 OD1 ASP A 76 -2.118 0.109 8.871 1.00 0.56 O ATOM 1189 OD2 ASP A 76 -0.331 -1.145 8.714 1.00 0.65 O1- ATOM 0 H ASP A 76 -3.198 -0.768 4.906 1.00 0.06 H new ATOM 0 HA ASP A 76 -0.910 0.385 6.042 1.00 0.08 H new ATOM 0 HB2 ASP A 76 -2.999 -1.173 6.896 1.00 0.13 H new ATOM 0 HB3 ASP A 76 -1.698 -2.347 6.895 1.00 0.13 H new ATOM 1194 N SER A 77 -0.682 -2.384 4.396 1.00 0.07 N ATOM 1195 CA SER A 77 0.119 -3.373 3.739 1.00 0.07 C ATOM 1196 C SER A 77 1.090 -2.669 2.829 1.00 0.06 C ATOM 1197 O SER A 77 2.309 -2.756 2.976 1.00 0.06 O ATOM 1198 CB SER A 77 -0.846 -4.250 2.940 1.00 0.08 C ATOM 1199 OG SER A 77 -0.201 -5.194 2.112 1.00 0.10 O ATOM 0 H SER A 77 -1.673 -2.451 4.163 1.00 0.07 H new ATOM 0 HA SER A 77 0.689 -3.985 4.438 1.00 0.07 H new ATOM 0 HB2 SER A 77 -1.503 -4.776 3.632 1.00 0.08 H new ATOM 0 HB3 SER A 77 -1.478 -3.611 2.324 1.00 0.08 H new ATOM 0 HG SER A 77 0.764 -5.174 2.283 1.00 0.10 H new ATOM 1205 N LEU A 78 0.502 -1.888 1.961 1.00 0.04 N ATOM 1206 CA LEU A 78 1.182 -1.185 0.919 1.00 0.04 C ATOM 1207 C LEU A 78 2.099 -0.142 1.536 1.00 0.04 C ATOM 1208 O LEU A 78 3.223 0.092 1.094 1.00 0.04 O ATOM 1209 CB LEU A 78 0.073 -0.558 0.095 1.00 0.03 C ATOM 1210 CG LEU A 78 0.473 0.119 -1.192 1.00 0.03 C ATOM 1211 CD1 LEU A 78 0.526 1.596 -0.941 1.00 0.03 C ATOM 1212 CD2 LEU A 78 1.807 -0.399 -1.676 1.00 0.04 C ATOM 0 H LEU A 78 -0.504 -1.722 1.966 1.00 0.04 H new ATOM 0 HA LEU A 78 1.814 -1.821 0.299 1.00 0.04 H new ATOM 0 HB2 LEU A 78 -0.653 -1.336 -0.143 1.00 0.03 H new ATOM 0 HB3 LEU A 78 -0.439 0.175 0.718 1.00 0.03 H new ATOM 0 HG LEU A 78 -0.256 -0.097 -1.973 1.00 0.03 H new ATOM 0 HD11 LEU A 78 0.814 2.111 -1.858 1.00 0.03 H new ATOM 0 HD12 LEU A 78 -0.455 1.946 -0.621 1.00 0.03 H new ATOM 0 HD13 LEU A 78 1.258 1.807 -0.162 1.00 0.03 H new ATOM 0 HD21 LEU A 78 2.077 0.103 -2.605 1.00 0.04 H new ATOM 0 HD22 LEU A 78 2.569 -0.201 -0.923 1.00 0.04 H new ATOM 0 HD23 LEU A 78 1.739 -1.473 -1.850 1.00 0.04 H new ATOM 1224 N ALA A 79 1.598 0.423 2.604 1.00 0.04 N ATOM 1225 CA ALA A 79 2.270 1.444 3.366 1.00 0.04 C ATOM 1226 C ALA A 79 3.482 0.879 4.019 1.00 0.05 C ATOM 1227 O ALA A 79 4.500 1.534 4.112 1.00 0.07 O ATOM 1228 CB ALA A 79 1.304 2.008 4.402 1.00 0.05 C ATOM 0 H ALA A 79 0.682 0.177 2.979 1.00 0.04 H new ATOM 0 HA ALA A 79 2.590 2.250 2.705 1.00 0.04 H new ATOM 0 HB1 ALA A 79 1.805 2.782 4.983 1.00 0.05 H new ATOM 0 HB2 ALA A 79 0.438 2.437 3.897 1.00 0.05 H new ATOM 0 HB3 ALA A 79 0.977 1.209 5.067 1.00 0.05 H new ATOM 1234 N THR A 80 3.377 -0.350 4.420 1.00 0.05 N ATOM 1235 CA THR A 80 4.467 -1.028 5.051 1.00 0.05 C ATOM 1236 C THR A 80 5.504 -1.431 4.029 1.00 0.05 C ATOM 1237 O THR A 80 6.689 -1.363 4.291 1.00 0.05 O ATOM 1238 CB THR A 80 3.958 -2.264 5.750 1.00 0.06 C ATOM 1239 OG1 THR A 80 3.092 -1.894 6.835 1.00 0.07 O ATOM 1240 CG2 THR A 80 5.112 -3.102 6.267 1.00 0.07 C ATOM 0 H THR A 80 2.532 -0.912 4.319 1.00 0.05 H new ATOM 0 HA THR A 80 4.923 -0.352 5.774 1.00 0.05 H new ATOM 0 HB THR A 80 3.395 -2.860 5.031 1.00 0.06 H new ATOM 0 HG1 THR A 80 2.307 -1.425 6.482 1.00 0.07 H new ATOM 0 HG21 THR A 80 4.722 -3.988 6.768 1.00 0.07 H new ATOM 0 HG22 THR A 80 5.744 -3.405 5.432 1.00 0.07 H new ATOM 0 HG23 THR A 80 5.700 -2.516 6.973 1.00 0.07 H new ATOM 1248 N GLN A 81 5.047 -1.836 2.857 1.00 0.05 N ATOM 1249 CA GLN A 81 5.892 -2.280 1.822 1.00 0.05 C ATOM 1250 C GLN A 81 6.704 -1.150 1.341 1.00 0.05 C ATOM 1251 O GLN A 81 7.896 -1.287 1.099 1.00 0.05 O ATOM 1252 CB GLN A 81 5.017 -2.845 0.737 1.00 0.05 C ATOM 1253 CG GLN A 81 4.383 -4.098 1.246 1.00 0.05 C ATOM 1254 CD GLN A 81 3.118 -4.485 0.576 1.00 0.07 C ATOM 1255 OE1 GLN A 81 2.261 -5.041 1.385 1.00 0.09 O flip ATOM 1256 NE2 GLN A 81 2.908 -4.265 -0.607 1.00 0.07 N flip ATOM 0 H GLN A 81 4.056 -1.856 2.618 1.00 0.05 H new ATOM 0 HA GLN A 81 6.581 -3.053 2.164 1.00 0.05 H new ATOM 0 HB2 GLN A 81 4.253 -2.122 0.452 1.00 0.05 H new ATOM 0 HB3 GLN A 81 5.607 -3.054 -0.155 1.00 0.05 H new ATOM 0 HG2 GLN A 81 5.096 -4.916 1.140 1.00 0.05 H new ATOM 0 HG3 GLN A 81 4.189 -3.980 2.312 1.00 0.05 H new ATOM 0 HE21 GLN A 81 3.628 -3.825 -1.180 1.00 0.07 H new ATOM 0 HE22 GLN A 81 2.012 -4.521 -1.022 1.00 0.07 H new ATOM 1265 N ILE A 82 6.073 -0.009 1.244 1.00 0.04 N ATOM 1266 CA ILE A 82 6.823 1.134 0.893 1.00 0.04 C ATOM 1267 C ILE A 82 7.643 1.593 2.094 1.00 0.05 C ATOM 1268 O ILE A 82 8.818 1.814 1.950 1.00 0.05 O ATOM 1269 CB ILE A 82 5.998 2.318 0.324 1.00 0.05 C ATOM 1270 CG1 ILE A 82 5.248 3.068 1.386 1.00 0.05 C ATOM 1271 CG2 ILE A 82 5.022 1.898 -0.747 1.00 0.05 C ATOM 1272 CD1 ILE A 82 5.988 4.292 1.828 1.00 0.06 C ATOM 0 H ILE A 82 5.076 0.138 1.400 1.00 0.04 H new ATOM 0 HA ILE A 82 7.468 0.822 0.072 1.00 0.04 H new ATOM 0 HB ILE A 82 6.745 2.977 -0.119 1.00 0.05 H new ATOM 0 HG12 ILE A 82 4.267 3.353 1.006 1.00 0.05 H new ATOM 0 HG13 ILE A 82 5.080 2.415 2.243 1.00 0.05 H new ATOM 0 HG21 ILE A 82 4.476 2.771 -1.104 1.00 0.05 H new ATOM 0 HG22 ILE A 82 5.565 1.445 -1.577 1.00 0.05 H new ATOM 0 HG23 ILE A 82 4.319 1.174 -0.335 1.00 0.05 H new ATOM 0 HD11 ILE A 82 5.413 4.807 2.597 1.00 0.06 H new ATOM 0 HD12 ILE A 82 6.958 4.004 2.233 1.00 0.06 H new ATOM 0 HD13 ILE A 82 6.133 4.957 0.977 1.00 0.06 H new ATOM 1284 N LYS A 83 7.018 1.726 3.280 1.00 0.05 N ATOM 1285 CA LYS A 83 7.718 2.131 4.503 1.00 0.05 C ATOM 1286 C LYS A 83 8.940 1.290 4.776 1.00 0.05 C ATOM 1287 O LYS A 83 9.912 1.762 5.347 1.00 0.06 O ATOM 1288 CB LYS A 83 6.778 2.019 5.689 1.00 0.06 C ATOM 1289 CG LYS A 83 6.425 3.354 6.280 1.00 0.10 C ATOM 1290 CD LYS A 83 5.661 4.187 5.286 1.00 0.12 C ATOM 1291 CE LYS A 83 5.694 5.621 5.696 1.00 0.20 C ATOM 1292 NZ LYS A 83 4.816 6.489 4.873 1.00 0.95 N1+ ATOM 0 H LYS A 83 6.021 1.556 3.411 1.00 0.05 H new ATOM 0 HA LYS A 83 8.043 3.161 4.357 1.00 0.05 H new ATOM 0 HB2 LYS A 83 5.865 1.512 5.377 1.00 0.06 H new ATOM 0 HB3 LYS A 83 7.241 1.398 6.456 1.00 0.06 H new ATOM 0 HG2 LYS A 83 5.827 3.213 7.180 1.00 0.10 H new ATOM 0 HG3 LYS A 83 7.333 3.877 6.579 1.00 0.10 H new ATOM 0 HD2 LYS A 83 6.095 4.073 4.293 1.00 0.12 H new ATOM 0 HD3 LYS A 83 4.629 3.841 5.224 1.00 0.12 H new ATOM 0 HE2 LYS A 83 5.394 5.700 6.741 1.00 0.20 H new ATOM 0 HE3 LYS A 83 6.719 5.987 5.630 1.00 0.20 H new ATOM 0 HZ1 LYS A 83 5.021 7.487 5.081 1.00 0.95 H new ATOM 0 HZ2 LYS A 83 4.990 6.302 3.865 1.00 0.95 H new ATOM 0 HZ3 LYS A 83 3.820 6.287 5.096 1.00 0.95 H new ATOM 1306 N ALA A 84 8.852 0.046 4.401 1.00 0.05 N ATOM 1307 CA ALA A 84 9.948 -0.870 4.457 1.00 0.05 C ATOM 1308 C ALA A 84 11.004 -0.458 3.511 1.00 0.04 C ATOM 1309 O ALA A 84 12.182 -0.389 3.844 1.00 0.05 O ATOM 1310 CB ALA A 84 9.440 -2.185 4.014 1.00 0.05 C ATOM 0 H ALA A 84 7.992 -0.367 4.039 1.00 0.05 H new ATOM 0 HA ALA A 84 10.356 -0.901 5.467 1.00 0.05 H new ATOM 0 HB1 ALA A 84 10.248 -2.916 4.042 1.00 0.05 H new ATOM 0 HB2 ALA A 84 8.637 -2.507 4.677 1.00 0.05 H new ATOM 0 HB3 ALA A 84 9.060 -2.104 2.996 1.00 0.05 H new ATOM 1316 N ILE A 85 10.557 -0.200 2.313 1.00 0.04 N ATOM 1317 CA ILE A 85 11.422 0.232 1.292 1.00 0.04 C ATOM 1318 C ILE A 85 12.080 1.484 1.748 1.00 0.04 C ATOM 1319 O ILE A 85 13.283 1.616 1.689 1.00 0.05 O ATOM 1320 CB ILE A 85 10.657 0.475 -0.007 1.00 0.04 C ATOM 1321 CG1 ILE A 85 10.240 -0.853 -0.586 1.00 0.04 C ATOM 1322 CG2 ILE A 85 11.483 1.291 -0.971 1.00 0.04 C ATOM 1323 CD1 ILE A 85 9.307 -0.740 -1.755 1.00 0.04 C ATOM 0 H ILE A 85 9.580 -0.289 2.034 1.00 0.04 H new ATOM 0 HA ILE A 85 12.168 -0.537 1.090 1.00 0.04 H new ATOM 0 HB ILE A 85 9.757 1.057 0.194 1.00 0.04 H new ATOM 0 HG12 ILE A 85 11.131 -1.399 -0.896 1.00 0.04 H new ATOM 0 HG13 ILE A 85 9.760 -1.444 0.194 1.00 0.04 H new ATOM 0 HG21 ILE A 85 10.918 1.451 -1.889 1.00 0.04 H new ATOM 0 HG22 ILE A 85 11.723 2.254 -0.520 1.00 0.04 H new ATOM 0 HG23 ILE A 85 12.405 0.758 -1.201 1.00 0.04 H new ATOM 0 HD11 ILE A 85 9.053 -1.737 -2.115 1.00 0.04 H new ATOM 0 HD12 ILE A 85 8.398 -0.223 -1.447 1.00 0.04 H new ATOM 0 HD13 ILE A 85 9.791 -0.178 -2.554 1.00 0.04 H new ATOM 1335 N GLN A 86 11.264 2.350 2.294 1.00 0.04 N ATOM 1336 CA GLN A 86 11.699 3.588 2.805 1.00 0.05 C ATOM 1337 C GLN A 86 12.708 3.331 3.849 1.00 0.05 C ATOM 1338 O GLN A 86 13.780 3.834 3.775 1.00 0.07 O ATOM 1339 CB GLN A 86 10.546 4.330 3.425 1.00 0.06 C ATOM 1340 CG GLN A 86 9.405 4.477 2.478 1.00 0.06 C ATOM 1341 CD GLN A 86 8.964 5.897 2.315 1.00 0.07 C ATOM 1342 OE1 GLN A 86 9.551 6.554 1.349 1.00 0.09 O flip ATOM 1343 NE2 GLN A 86 8.114 6.394 3.053 1.00 0.08 N flip ATOM 0 H GLN A 86 10.261 2.193 2.389 1.00 0.04 H new ATOM 0 HA GLN A 86 12.117 4.187 1.996 1.00 0.05 H new ATOM 0 HB2 GLN A 86 10.211 3.800 4.317 1.00 0.06 H new ATOM 0 HB3 GLN A 86 10.880 5.316 3.747 1.00 0.06 H new ATOM 0 HG2 GLN A 86 9.692 4.077 1.506 1.00 0.06 H new ATOM 0 HG3 GLN A 86 8.565 3.879 2.833 1.00 0.06 H new ATOM 0 HE21 GLN A 86 7.689 5.833 3.791 1.00 0.08 H new ATOM 0 HE22 GLN A 86 7.835 7.367 2.926 1.00 0.08 H new ATOM 1352 N ASP A 87 12.337 2.478 4.780 1.00 0.05 N ATOM 1353 CA ASP A 87 13.180 2.134 5.915 1.00 0.06 C ATOM 1354 C ASP A 87 14.565 1.824 5.450 1.00 0.06 C ATOM 1355 O ASP A 87 15.528 2.453 5.848 1.00 0.08 O ATOM 1356 CB ASP A 87 12.659 0.892 6.634 1.00 0.08 C ATOM 1357 CG ASP A 87 12.596 1.070 8.136 1.00 0.20 C ATOM 1358 OD1 ASP A 87 11.481 1.095 8.692 1.00 0.40 O ATOM 1359 OD2 ASP A 87 13.666 1.196 8.772 1.00 0.39 O1- ATOM 0 H ASP A 87 11.437 1.998 4.774 1.00 0.05 H new ATOM 0 HA ASP A 87 13.173 2.989 6.591 1.00 0.06 H new ATOM 0 HB2 ASP A 87 11.665 0.650 6.259 1.00 0.08 H new ATOM 0 HB3 ASP A 87 13.303 0.044 6.399 1.00 0.08 H new ATOM 1364 N VAL A 88 14.651 0.868 4.574 1.00 0.04 N ATOM 1365 CA VAL A 88 15.927 0.381 4.158 1.00 0.04 C ATOM 1366 C VAL A 88 16.583 1.369 3.181 1.00 0.04 C ATOM 1367 O VAL A 88 17.765 1.642 3.297 1.00 0.05 O ATOM 1368 CB VAL A 88 15.814 -1.037 3.582 1.00 0.04 C ATOM 1369 CG1 VAL A 88 14.774 -1.842 4.342 1.00 0.04 C ATOM 1370 CG2 VAL A 88 15.487 -0.998 2.126 1.00 0.04 C ATOM 0 H VAL A 88 13.851 0.411 4.135 1.00 0.04 H new ATOM 0 HA VAL A 88 16.580 0.308 5.028 1.00 0.04 H new ATOM 0 HB VAL A 88 16.781 -1.526 3.698 1.00 0.04 H new ATOM 0 HG11 VAL A 88 14.709 -2.844 3.918 1.00 0.04 H new ATOM 0 HG12 VAL A 88 15.062 -1.909 5.391 1.00 0.04 H new ATOM 0 HG13 VAL A 88 13.804 -1.351 4.262 1.00 0.04 H new ATOM 0 HG21 VAL A 88 15.413 -2.016 1.742 1.00 0.04 H new ATOM 0 HG22 VAL A 88 14.536 -0.485 1.980 1.00 0.04 H new ATOM 0 HG23 VAL A 88 16.273 -0.465 1.591 1.00 0.04 H new ATOM 1380 N ASN A 89 15.792 1.951 2.267 1.00 0.05 N ATOM 1381 CA ASN A 89 16.237 3.020 1.375 1.00 0.06 C ATOM 1382 C ASN A 89 16.744 4.187 2.177 1.00 0.07 C ATOM 1383 O ASN A 89 17.636 4.926 1.764 1.00 0.09 O ATOM 1384 CB ASN A 89 15.047 3.496 0.557 1.00 0.06 C ATOM 1385 CG ASN A 89 14.697 2.562 -0.569 1.00 0.06 C ATOM 1386 OD1 ASN A 89 15.169 1.437 -0.620 1.00 0.05 O ATOM 1387 ND2 ASN A 89 13.817 3.009 -1.443 1.00 0.08 N ATOM 0 H ASN A 89 14.817 1.687 2.129 1.00 0.05 H new ATOM 0 HA ASN A 89 17.032 2.641 0.733 1.00 0.06 H new ATOM 0 HB2 ASN A 89 14.183 3.606 1.212 1.00 0.06 H new ATOM 0 HB3 ASN A 89 15.265 4.483 0.149 1.00 0.06 H new ATOM 0 HD21 ASN A 89 13.502 2.406 -2.203 1.00 0.08 H new ATOM 0 HD22 ASN A 89 13.451 3.957 -1.359 1.00 0.08 H new ATOM 1394 N ALA A 90 16.152 4.315 3.337 1.00 0.07 N ATOM 1395 CA ALA A 90 16.409 5.407 4.243 1.00 0.08 C ATOM 1396 C ALA A 90 17.749 5.215 4.893 1.00 0.09 C ATOM 1397 O ALA A 90 18.289 6.109 5.538 1.00 0.12 O ATOM 1398 CB ALA A 90 15.315 5.446 5.281 1.00 0.09 C ATOM 0 H ALA A 90 15.463 3.649 3.686 1.00 0.07 H new ATOM 0 HA ALA A 90 16.421 6.353 3.701 1.00 0.08 H new ATOM 0 HB1 ALA A 90 15.499 6.268 5.972 1.00 0.09 H new ATOM 0 HB2 ALA A 90 14.353 5.592 4.790 1.00 0.09 H new ATOM 0 HB3 ALA A 90 15.302 4.505 5.831 1.00 0.09 H new ATOM 1404 N GLN A 91 18.266 4.019 4.718 1.00 0.07 N ATOM 1405 CA GLN A 91 19.542 3.650 5.250 1.00 0.08 C ATOM 1406 C GLN A 91 20.616 3.983 4.250 1.00 0.08 C ATOM 1407 O GLN A 91 21.765 4.103 4.601 1.00 0.10 O ATOM 1408 CB GLN A 91 19.553 2.169 5.601 1.00 0.07 C ATOM 1409 CG GLN A 91 18.448 1.740 6.550 1.00 0.08 C ATOM 1410 CD GLN A 91 18.166 2.725 7.667 1.00 0.11 C ATOM 1411 OE1 GLN A 91 18.781 2.713 8.718 1.00 0.25 O ATOM 1412 NE2 GLN A 91 17.196 3.558 7.443 1.00 0.14 N ATOM 0 H GLN A 91 17.802 3.275 4.197 1.00 0.07 H new ATOM 0 HA GLN A 91 19.736 4.211 6.165 1.00 0.08 H new ATOM 0 HB2 GLN A 91 19.470 1.590 4.681 1.00 0.07 H new ATOM 0 HB3 GLN A 91 20.516 1.921 6.048 1.00 0.07 H new ATOM 0 HG2 GLN A 91 17.533 1.586 5.978 1.00 0.08 H new ATOM 0 HG3 GLN A 91 18.715 0.778 6.988 1.00 0.08 H new ATOM 0 HE21 GLN A 91 16.703 3.539 6.550 1.00 0.14 H new ATOM 0 HE22 GLN A 91 16.927 4.232 8.160 1.00 0.14 H new ATOM 1421 N PHE A 92 20.224 4.156 3.010 1.00 0.08 N ATOM 1422 CA PHE A 92 21.159 4.562 1.967 1.00 0.09 C ATOM 1423 C PHE A 92 21.121 6.041 1.737 1.00 0.11 C ATOM 1424 O PHE A 92 20.161 6.729 2.079 1.00 0.12 O ATOM 1425 CB PHE A 92 20.877 3.861 0.639 1.00 0.09 C ATOM 1426 CG PHE A 92 20.776 2.395 0.759 1.00 0.07 C ATOM 1427 CD1 PHE A 92 21.836 1.580 0.442 1.00 0.07 C ATOM 1428 CD2 PHE A 92 19.618 1.835 1.216 1.00 0.06 C ATOM 1429 CE1 PHE A 92 21.734 0.228 0.586 1.00 0.08 C ATOM 1430 CE2 PHE A 92 19.504 0.489 1.360 1.00 0.06 C ATOM 1431 CZ PHE A 92 20.565 -0.318 1.048 1.00 0.06 C ATOM 0 H PHE A 92 19.264 4.024 2.690 1.00 0.08 H new ATOM 0 HA PHE A 92 22.147 4.271 2.324 1.00 0.09 H new ATOM 0 HB2 PHE A 92 19.947 4.249 0.223 1.00 0.09 H new ATOM 0 HB3 PHE A 92 21.670 4.106 -0.068 1.00 0.09 H new ATOM 0 HD1 PHE A 92 22.755 2.013 0.077 1.00 0.07 H new ATOM 0 HD2 PHE A 92 18.781 2.470 1.466 1.00 0.06 H new ATOM 0 HE1 PHE A 92 22.570 -0.409 0.337 1.00 0.08 H new ATOM 0 HE2 PHE A 92 18.581 0.058 1.719 1.00 0.06 H new ATOM 0 HZ PHE A 92 20.480 -1.388 1.166 1.00 0.06 H new ATOM 1441 N GLU A 93 22.202 6.505 1.147 1.00 0.12 N ATOM 1442 CA GLU A 93 22.339 7.875 0.754 1.00 0.14 C ATOM 1443 C GLU A 93 21.287 8.200 -0.301 1.00 0.14 C ATOM 1444 O GLU A 93 20.891 9.351 -0.484 1.00 0.16 O ATOM 1445 CB GLU A 93 23.744 8.117 0.224 1.00 0.16 C ATOM 1446 CG GLU A 93 24.833 7.743 1.225 1.00 0.17 C ATOM 1447 CD GLU A 93 26.089 8.578 1.071 1.00 0.22 C ATOM 1448 OE1 GLU A 93 26.200 9.634 1.732 1.00 0.45 O ATOM 1449 OE2 GLU A 93 26.972 8.182 0.282 1.00 0.37 O1- ATOM 0 H GLU A 93 23.014 5.928 0.928 1.00 0.12 H new ATOM 0 HA GLU A 93 22.184 8.530 1.612 1.00 0.14 H new ATOM 0 HB2 GLU A 93 23.885 7.541 -0.690 1.00 0.16 H new ATOM 0 HB3 GLU A 93 23.849 9.169 -0.043 1.00 0.16 H new ATOM 0 HG2 GLU A 93 24.446 7.862 2.237 1.00 0.17 H new ATOM 0 HG3 GLU A 93 25.086 6.690 1.102 1.00 0.17 H new ATOM 1456 N LYS A 94 20.856 7.151 -0.992 1.00 0.13 N ATOM 1457 CA LYS A 94 19.705 7.203 -1.875 1.00 0.14 C ATOM 1458 C LYS A 94 19.051 5.845 -1.933 1.00 0.12 C ATOM 1459 O LYS A 94 19.724 4.820 -1.872 1.00 0.12 O ATOM 1460 CB LYS A 94 20.016 7.686 -3.292 1.00 0.21 C ATOM 1461 CG LYS A 94 21.172 6.991 -3.992 1.00 0.75 C ATOM 1462 CD LYS A 94 21.219 7.396 -5.459 1.00 1.25 C ATOM 1463 CE LYS A 94 22.430 6.827 -6.186 1.00 2.08 C ATOM 1464 NZ LYS A 94 22.442 5.340 -6.197 1.00 2.94 N1+ ATOM 0 H LYS A 94 21.302 6.234 -0.952 1.00 0.13 H new ATOM 0 HA LYS A 94 19.031 7.946 -1.448 1.00 0.14 H new ATOM 0 HB2 LYS A 94 19.121 7.563 -3.902 1.00 0.21 H new ATOM 0 HB3 LYS A 94 20.230 8.754 -3.252 1.00 0.21 H new ATOM 0 HG2 LYS A 94 22.111 7.252 -3.505 1.00 0.75 H new ATOM 0 HG3 LYS A 94 21.060 5.910 -3.909 1.00 0.75 H new ATOM 0 HD2 LYS A 94 20.310 7.056 -5.955 1.00 1.25 H new ATOM 0 HD3 LYS A 94 21.234 8.483 -5.531 1.00 1.25 H new ATOM 0 HE2 LYS A 94 22.439 7.195 -7.212 1.00 2.08 H new ATOM 0 HE3 LYS A 94 23.340 7.191 -5.709 1.00 2.08 H new ATOM 0 HZ1 LYS A 94 23.310 4.996 -5.738 1.00 2.94 H new ATOM 0 HZ2 LYS A 94 21.613 4.982 -5.681 1.00 2.94 H new ATOM 0 HZ3 LYS A 94 22.412 5.000 -7.179 1.00 2.94 H new ATOM 1478 N PRO A 95 17.726 5.855 -2.046 1.00 0.11 N ATOM 1479 CA PRO A 95 16.879 4.673 -1.971 1.00 0.09 C ATOM 1480 C PRO A 95 17.407 3.517 -2.741 1.00 0.08 C ATOM 1481 O PRO A 95 17.857 3.675 -3.878 1.00 0.10 O ATOM 1482 CB PRO A 95 15.585 5.146 -2.608 1.00 0.11 C ATOM 1483 CG PRO A 95 15.525 6.580 -2.269 1.00 0.13 C ATOM 1484 CD PRO A 95 16.944 7.060 -2.324 1.00 0.14 C ATOM 0 HA PRO A 95 16.791 4.315 -0.945 1.00 0.09 H new ATOM 0 HB2 PRO A 95 15.591 4.991 -3.687 1.00 0.11 H new ATOM 0 HB3 PRO A 95 14.725 4.606 -2.213 1.00 0.11 H new ATOM 0 HG2 PRO A 95 14.898 7.125 -2.975 1.00 0.13 H new ATOM 0 HG3 PRO A 95 15.097 6.732 -1.278 1.00 0.13 H new ATOM 0 HD2 PRO A 95 17.188 7.480 -3.300 1.00 0.14 H new ATOM 0 HD3 PRO A 95 17.132 7.839 -1.586 1.00 0.14 H new ATOM 1492 N ALA A 96 17.336 2.337 -2.159 1.00 0.06 N ATOM 1493 CA ALA A 96 17.703 1.218 -2.930 1.00 0.06 C ATOM 1494 C ALA A 96 16.668 0.132 -2.845 1.00 0.05 C ATOM 1495 O ALA A 96 16.964 -1.019 -2.561 1.00 0.05 O ATOM 1496 CB ALA A 96 19.004 0.709 -2.377 1.00 0.05 C ATOM 0 H ALA A 96 17.040 2.153 -1.200 1.00 0.06 H new ATOM 0 HA ALA A 96 17.793 1.505 -3.978 1.00 0.06 H new ATOM 0 HB1 ALA A 96 19.326 -0.162 -2.948 1.00 0.05 H new ATOM 0 HB2 ALA A 96 19.761 1.490 -2.449 1.00 0.05 H new ATOM 0 HB3 ALA A 96 18.870 0.429 -1.332 1.00 0.05 H new ATOM 1502 N ILE A 97 15.463 0.527 -3.147 1.00 0.06 N ATOM 1503 CA ILE A 97 14.436 -0.271 -3.737 1.00 0.07 C ATOM 1504 C ILE A 97 13.647 0.671 -4.554 1.00 0.08 C ATOM 1505 O ILE A 97 12.836 1.386 -4.007 1.00 0.10 O ATOM 1506 CB ILE A 97 13.529 -0.931 -2.722 1.00 0.07 C ATOM 1507 CG1 ILE A 97 14.223 -2.108 -2.113 1.00 0.06 C ATOM 1508 CG2 ILE A 97 12.190 -1.329 -3.328 1.00 0.08 C ATOM 1509 CD1 ILE A 97 14.729 -1.811 -0.742 1.00 0.05 C ATOM 0 H ILE A 97 15.156 1.484 -2.973 1.00 0.06 H new ATOM 0 HA ILE A 97 14.881 -1.087 -4.306 1.00 0.07 H new ATOM 0 HB ILE A 97 13.311 -0.206 -1.938 1.00 0.07 H new ATOM 0 HG12 ILE A 97 13.535 -2.952 -2.070 1.00 0.06 H new ATOM 0 HG13 ILE A 97 15.056 -2.407 -2.750 1.00 0.06 H new ATOM 0 HG21 ILE A 97 11.570 -1.799 -2.564 1.00 0.08 H new ATOM 0 HG22 ILE A 97 11.685 -0.441 -3.709 1.00 0.08 H new ATOM 0 HG23 ILE A 97 12.355 -2.032 -4.145 1.00 0.08 H new ATOM 0 HD11 ILE A 97 15.226 -2.693 -0.338 1.00 0.05 H new ATOM 0 HD12 ILE A 97 15.438 -0.984 -0.787 1.00 0.05 H new ATOM 0 HD13 ILE A 97 13.894 -1.538 -0.097 1.00 0.05 H new ATOM 1521 N VAL A 98 13.884 0.738 -5.800 1.00 0.09 N ATOM 1522 CA VAL A 98 13.185 1.705 -6.595 1.00 0.10 C ATOM 1523 C VAL A 98 12.670 1.041 -7.842 1.00 0.10 C ATOM 1524 O VAL A 98 13.440 0.563 -8.674 1.00 0.14 O ATOM 1525 CB VAL A 98 14.061 2.931 -6.899 1.00 0.10 C ATOM 1526 CG1 VAL A 98 14.348 3.682 -5.595 1.00 0.10 C ATOM 1527 CG2 VAL A 98 15.347 2.521 -7.593 1.00 0.11 C ATOM 0 H VAL A 98 14.547 0.149 -6.305 1.00 0.09 H new ATOM 0 HA VAL A 98 12.333 2.085 -6.032 1.00 0.10 H new ATOM 0 HB VAL A 98 13.527 3.595 -7.579 1.00 0.10 H new ATOM 0 HG11 VAL A 98 14.969 4.553 -5.806 1.00 0.10 H new ATOM 0 HG12 VAL A 98 13.408 4.006 -5.148 1.00 0.10 H new ATOM 0 HG13 VAL A 98 14.871 3.022 -4.903 1.00 0.10 H new ATOM 0 HG21 VAL A 98 15.949 3.407 -7.797 1.00 0.11 H new ATOM 0 HG22 VAL A 98 15.907 1.842 -6.950 1.00 0.11 H new ATOM 0 HG23 VAL A 98 15.110 2.019 -8.531 1.00 0.11 H new ATOM 1537 N ASP A 99 11.353 0.965 -7.908 1.00 0.09 N ATOM 1538 CA ASP A 99 10.650 0.208 -8.945 1.00 0.11 C ATOM 1539 C ASP A 99 10.691 -1.280 -8.606 1.00 0.09 C ATOM 1540 O ASP A 99 10.859 -2.138 -9.470 1.00 0.11 O ATOM 1541 CB ASP A 99 11.243 0.460 -10.336 1.00 0.14 C ATOM 1542 CG ASP A 99 10.442 -0.174 -11.459 1.00 0.31 C ATOM 1543 OD1 ASP A 99 11.000 -1.004 -12.200 1.00 0.53 O ATOM 1544 OD2 ASP A 99 9.239 0.144 -11.593 1.00 0.52 O1- ATOM 0 H ASP A 99 10.732 1.427 -7.243 1.00 0.09 H new ATOM 0 HA ASP A 99 9.615 0.548 -8.972 1.00 0.11 H new ATOM 0 HB2 ASP A 99 11.305 1.535 -10.507 1.00 0.14 H new ATOM 0 HB3 ASP A 99 12.262 0.073 -10.364 1.00 0.14 H new ATOM 1549 N GLY A 100 10.541 -1.575 -7.319 1.00 0.07 N ATOM 1550 CA GLY A 100 10.560 -2.947 -6.856 1.00 0.08 C ATOM 1551 C GLY A 100 11.905 -3.596 -7.016 1.00 0.08 C ATOM 1552 O GLY A 100 12.056 -4.791 -6.773 1.00 0.10 O ATOM 0 H GLY A 100 10.406 -0.881 -6.584 1.00 0.07 H new ATOM 0 HA2 GLY A 100 10.271 -2.975 -5.806 1.00 0.08 H new ATOM 0 HA3 GLY A 100 9.816 -3.522 -7.407 1.00 0.08 H new ATOM 1556 N VAL A 101 12.870 -2.823 -7.455 1.00 0.08 N ATOM 1557 CA VAL A 101 14.199 -3.313 -7.626 1.00 0.09 C ATOM 1558 C VAL A 101 15.176 -2.407 -6.941 1.00 0.08 C ATOM 1559 O VAL A 101 15.100 -1.186 -7.004 1.00 0.09 O ATOM 1560 CB VAL A 101 14.562 -3.488 -9.106 1.00 0.11 C ATOM 1561 CG1 VAL A 101 14.423 -2.174 -9.864 1.00 0.12 C ATOM 1562 CG2 VAL A 101 15.967 -4.059 -9.243 1.00 0.15 C ATOM 0 H VAL A 101 12.747 -1.841 -7.701 1.00 0.08 H new ATOM 0 HA VAL A 101 14.250 -4.300 -7.167 1.00 0.09 H new ATOM 0 HB VAL A 101 13.862 -4.196 -9.550 1.00 0.11 H new ATOM 0 HG11 VAL A 101 14.687 -2.328 -10.910 1.00 0.12 H new ATOM 0 HG12 VAL A 101 13.393 -1.823 -9.797 1.00 0.12 H new ATOM 0 HG13 VAL A 101 15.089 -1.430 -9.428 1.00 0.12 H new ATOM 0 HG21 VAL A 101 16.210 -4.178 -10.299 1.00 0.15 H new ATOM 0 HG22 VAL A 101 16.683 -3.380 -8.780 1.00 0.15 H new ATOM 0 HG23 VAL A 101 16.015 -5.029 -8.748 1.00 0.15 H new ATOM 1572 N LEU A 102 16.079 -3.047 -6.289 1.00 0.07 N ATOM 1573 CA LEU A 102 17.072 -2.416 -5.496 1.00 0.07 C ATOM 1574 C LEU A 102 18.051 -1.623 -6.346 1.00 0.09 C ATOM 1575 O LEU A 102 18.300 -1.931 -7.515 1.00 0.11 O ATOM 1576 CB LEU A 102 17.782 -3.524 -4.749 1.00 0.07 C ATOM 1577 CG LEU A 102 19.266 -3.319 -4.493 1.00 0.07 C ATOM 1578 CD1 LEU A 102 19.462 -2.356 -3.347 1.00 0.06 C ATOM 1579 CD2 LEU A 102 19.963 -4.631 -4.205 1.00 0.07 C ATOM 0 H LEU A 102 16.149 -4.065 -6.293 1.00 0.07 H new ATOM 0 HA LEU A 102 16.619 -1.698 -4.812 1.00 0.07 H new ATOM 0 HB2 LEU A 102 17.285 -3.663 -3.789 1.00 0.07 H new ATOM 0 HB3 LEU A 102 17.656 -4.450 -5.310 1.00 0.07 H new ATOM 0 HG LEU A 102 19.712 -2.899 -5.395 1.00 0.07 H new ATOM 0 HD11 LEU A 102 20.528 -2.214 -3.169 1.00 0.06 H new ATOM 0 HD12 LEU A 102 19.005 -1.398 -3.594 1.00 0.06 H new ATOM 0 HD13 LEU A 102 18.995 -2.760 -2.449 1.00 0.06 H new ATOM 0 HD21 LEU A 102 21.023 -4.449 -4.027 1.00 0.07 H new ATOM 0 HD22 LEU A 102 19.520 -5.092 -3.322 1.00 0.07 H new ATOM 0 HD23 LEU A 102 19.849 -5.299 -5.059 1.00 0.07 H new ATOM 1591 N ASP A 103 18.592 -0.608 -5.723 1.00 0.09 N ATOM 1592 CA ASP A 103 19.618 0.217 -6.307 1.00 0.11 C ATOM 1593 C ASP A 103 20.920 -0.223 -5.708 1.00 0.11 C ATOM 1594 O ASP A 103 21.307 0.260 -4.670 1.00 0.10 O ATOM 1595 CB ASP A 103 19.420 1.669 -5.918 1.00 0.13 C ATOM 1596 CG ASP A 103 19.886 2.662 -6.964 1.00 0.20 C ATOM 1597 OD1 ASP A 103 19.048 3.157 -7.743 1.00 0.46 O ATOM 1598 OD2 ASP A 103 21.103 2.925 -7.039 1.00 0.48 O1- ATOM 0 H ASP A 103 18.327 -0.327 -4.779 1.00 0.09 H new ATOM 0 HA ASP A 103 19.592 0.124 -7.393 1.00 0.11 H new ATOM 0 HB2 ASP A 103 18.362 1.839 -5.718 1.00 0.13 H new ATOM 0 HB3 ASP A 103 19.955 1.860 -4.988 1.00 0.13 H new ATOM 1603 N THR A 104 21.589 -1.120 -6.363 1.00 0.12 N ATOM 1604 CA THR A 104 22.850 -1.668 -5.874 1.00 0.14 C ATOM 1605 C THR A 104 23.908 -0.608 -5.916 1.00 0.16 C ATOM 1606 O THR A 104 24.994 -0.724 -5.345 1.00 0.19 O ATOM 1607 CB THR A 104 23.280 -2.848 -6.728 1.00 0.16 C ATOM 1608 OG1 THR A 104 23.987 -2.399 -7.897 1.00 0.20 O ATOM 1609 CG2 THR A 104 22.042 -3.589 -7.147 1.00 0.16 C ATOM 0 H THR A 104 21.288 -1.505 -7.258 1.00 0.12 H new ATOM 0 HA THR A 104 22.711 -2.007 -4.848 1.00 0.14 H new ATOM 0 HB THR A 104 23.946 -3.493 -6.155 1.00 0.16 H new ATOM 0 HG1 THR A 104 24.257 -3.173 -8.433 1.00 0.20 H new ATOM 0 HG21 THR A 104 22.321 -4.444 -7.763 1.00 0.16 H new ATOM 0 HG22 THR A 104 21.510 -3.938 -6.262 1.00 0.16 H new ATOM 0 HG23 THR A 104 21.396 -2.924 -7.720 1.00 0.16 H new ATOM 1617 N ASN A 105 23.542 0.433 -6.607 1.00 0.16 N ATOM 1618 CA ASN A 105 24.371 1.574 -6.811 1.00 0.20 C ATOM 1619 C ASN A 105 24.175 2.549 -5.676 1.00 0.19 C ATOM 1620 O ASN A 105 24.750 3.636 -5.635 1.00 0.26 O ATOM 1621 CB ASN A 105 23.941 2.181 -8.110 1.00 0.26 C ATOM 1622 CG ASN A 105 24.910 3.171 -8.688 1.00 0.37 C ATOM 1623 OD1 ASN A 105 26.115 3.125 -8.447 1.00 0.70 O ATOM 1624 ND2 ASN A 105 24.365 4.065 -9.474 1.00 0.90 N ATOM 0 H ASN A 105 22.629 0.508 -7.056 1.00 0.16 H new ATOM 0 HA ASN A 105 25.428 1.309 -6.840 1.00 0.20 H new ATOM 0 HB2 ASN A 105 23.782 1.382 -8.834 1.00 0.26 H new ATOM 0 HB3 ASN A 105 22.980 2.675 -7.965 1.00 0.26 H new ATOM 0 HD21 ASN A 105 24.947 4.772 -9.923 1.00 0.90 H new ATOM 0 HD22 ASN A 105 23.358 4.054 -9.637 1.00 0.90 H new ATOM 1631 N ALA A 106 23.317 2.142 -4.777 1.00 0.14 N ATOM 1632 CA ALA A 106 23.010 2.926 -3.584 1.00 0.13 C ATOM 1633 C ALA A 106 24.125 2.846 -2.584 1.00 0.14 C ATOM 1634 O ALA A 106 25.115 2.134 -2.764 1.00 0.20 O ATOM 1635 CB ALA A 106 21.710 2.487 -2.945 1.00 0.10 C ATOM 0 H ALA A 106 22.806 1.261 -4.840 1.00 0.14 H new ATOM 0 HA ALA A 106 22.898 3.962 -3.904 1.00 0.13 H new ATOM 0 HB1 ALA A 106 21.516 3.094 -2.061 1.00 0.10 H new ATOM 0 HB2 ALA A 106 20.894 2.612 -3.657 1.00 0.10 H new ATOM 0 HB3 ALA A 106 21.782 1.438 -2.657 1.00 0.10 H new ATOM 1641 N LYS A 107 23.936 3.573 -1.520 1.00 0.13 N ATOM 1642 CA LYS A 107 24.971 3.792 -0.557 1.00 0.14 C ATOM 1643 C LYS A 107 24.447 3.662 0.835 1.00 0.12 C ATOM 1644 O LYS A 107 23.939 4.623 1.384 1.00 0.12 O ATOM 1645 CB LYS A 107 25.537 5.179 -0.734 1.00 0.17 C ATOM 1646 CG LYS A 107 26.706 5.226 -1.671 1.00 0.25 C ATOM 1647 CD LYS A 107 27.851 4.396 -1.115 1.00 0.80 C ATOM 1648 CE LYS A 107 28.300 4.916 0.243 1.00 1.20 C ATOM 1649 NZ LYS A 107 29.500 4.195 0.746 1.00 1.99 N1+ ATOM 0 H LYS A 107 23.053 4.032 -1.297 1.00 0.13 H new ATOM 0 HA LYS A 107 25.745 3.040 -0.714 1.00 0.14 H new ATOM 0 HB2 LYS A 107 24.754 5.839 -1.107 1.00 0.17 H new ATOM 0 HB3 LYS A 107 25.843 5.566 0.238 1.00 0.17 H new ATOM 0 HG2 LYS A 107 26.413 4.847 -2.650 1.00 0.25 H new ATOM 0 HG3 LYS A 107 27.029 6.258 -1.812 1.00 0.25 H new ATOM 0 HD2 LYS A 107 27.538 3.356 -1.024 1.00 0.80 H new ATOM 0 HD3 LYS A 107 28.690 4.417 -1.811 1.00 0.80 H new ATOM 0 HE2 LYS A 107 28.521 5.981 0.169 1.00 1.20 H new ATOM 0 HE3 LYS A 107 27.486 4.809 0.960 1.00 1.20 H new ATOM 0 HZ1 LYS A 107 29.773 4.580 1.673 1.00 1.99 H new ATOM 0 HZ2 LYS A 107 29.282 3.183 0.842 1.00 1.99 H new ATOM 0 HZ3 LYS A 107 30.285 4.318 0.075 1.00 1.99 H new ATOM 1663 N ALA A 108 24.578 2.493 1.408 1.00 0.11 N ATOM 1664 CA ALA A 108 24.111 2.289 2.757 1.00 0.10 C ATOM 1665 C ALA A 108 24.879 3.214 3.686 1.00 0.11 C ATOM 1666 O ALA A 108 26.059 2.990 3.966 1.00 0.13 O ATOM 1667 CB ALA A 108 24.260 0.831 3.153 1.00 0.10 C ATOM 0 H ALA A 108 24.999 1.675 0.968 1.00 0.11 H new ATOM 0 HA ALA A 108 23.050 2.529 2.829 1.00 0.10 H new ATOM 0 HB1 ALA A 108 23.903 0.693 4.174 1.00 0.10 H new ATOM 0 HB2 ALA A 108 23.674 0.209 2.477 1.00 0.10 H new ATOM 0 HB3 ALA A 108 25.310 0.543 3.093 1.00 0.10 H new ATOM 1673 N LYS A 109 24.206 4.291 4.084 1.00 0.11 N ATOM 1674 CA LYS A 109 24.757 5.320 4.951 1.00 0.13 C ATOM 1675 C LYS A 109 25.477 4.747 6.165 1.00 0.15 C ATOM 1676 O LYS A 109 25.267 3.599 6.550 1.00 0.14 O ATOM 1677 CB LYS A 109 23.629 6.217 5.438 1.00 0.14 C ATOM 1678 CG LYS A 109 23.265 7.286 4.440 1.00 0.15 C ATOM 1679 CD LYS A 109 22.204 8.223 4.978 1.00 0.17 C ATOM 1680 CE LYS A 109 20.842 7.570 4.933 1.00 0.16 C ATOM 1681 NZ LYS A 109 19.806 8.380 5.625 1.00 0.26 N1+ ATOM 0 H LYS A 109 23.242 4.473 3.805 1.00 0.11 H new ATOM 0 HA LYS A 109 25.487 5.877 4.364 1.00 0.13 H new ATOM 0 HB2 LYS A 109 22.750 5.607 5.648 1.00 0.14 H new ATOM 0 HB3 LYS A 109 23.923 6.687 6.377 1.00 0.14 H new ATOM 0 HG2 LYS A 109 24.156 7.858 4.179 1.00 0.15 H new ATOM 0 HG3 LYS A 109 22.906 6.819 3.523 1.00 0.15 H new ATOM 0 HD2 LYS A 109 22.445 8.503 6.004 1.00 0.17 H new ATOM 0 HD3 LYS A 109 22.192 9.142 4.392 1.00 0.17 H new ATOM 0 HE2 LYS A 109 20.548 7.419 3.894 1.00 0.16 H new ATOM 0 HE3 LYS A 109 20.898 6.584 5.395 1.00 0.16 H new ATOM 0 HZ1 LYS A 109 18.963 7.795 5.793 1.00 0.26 H new ATOM 0 HZ2 LYS A 109 20.180 8.718 6.535 1.00 0.26 H new ATOM 0 HZ3 LYS A 109 19.549 9.195 5.032 1.00 0.26 H new ATOM 1695 N SER A 110 26.283 5.581 6.800 1.00 0.19 N ATOM 1696 CA SER A 110 26.954 5.212 8.039 1.00 0.22 C ATOM 1697 C SER A 110 25.961 5.154 9.183 1.00 0.23 C ATOM 1698 O SER A 110 26.308 4.851 10.323 1.00 0.26 O ATOM 1699 CB SER A 110 28.057 6.212 8.351 1.00 0.27 C ATOM 1700 OG SER A 110 28.902 6.399 7.225 1.00 0.29 O ATOM 0 H SER A 110 26.491 6.526 6.476 1.00 0.19 H new ATOM 0 HA SER A 110 27.397 4.224 7.915 1.00 0.22 H new ATOM 0 HB2 SER A 110 27.617 7.166 8.644 1.00 0.27 H new ATOM 0 HB3 SER A 110 28.645 5.859 9.198 1.00 0.27 H new ATOM 0 HG SER A 110 29.603 7.047 7.446 1.00 0.29 H new ATOM 1706 N ASP A 111 24.721 5.431 8.853 1.00 0.21 N ATOM 1707 CA ASP A 111 23.663 5.475 9.823 1.00 0.23 C ATOM 1708 C ASP A 111 22.632 4.416 9.475 1.00 0.19 C ATOM 1709 O ASP A 111 21.709 4.152 10.246 1.00 0.21 O ATOM 1710 CB ASP A 111 23.050 6.868 9.842 1.00 0.28 C ATOM 1711 CG ASP A 111 22.004 7.041 10.925 1.00 0.77 C ATOM 1712 OD1 ASP A 111 20.859 7.414 10.592 1.00 1.51 O ATOM 1713 OD2 ASP A 111 22.319 6.807 12.112 1.00 0.70 O1- ATOM 0 H ASP A 111 24.421 5.632 7.899 1.00 0.21 H new ATOM 0 HA ASP A 111 24.049 5.266 10.821 1.00 0.23 H new ATOM 0 HB2 ASP A 111 23.840 7.605 9.987 1.00 0.28 H new ATOM 0 HB3 ASP A 111 22.598 7.073 8.872 1.00 0.28 H new ATOM 1718 N ALA A 112 22.796 3.820 8.287 1.00 0.14 N ATOM 1719 CA ALA A 112 22.017 2.662 7.896 1.00 0.11 C ATOM 1720 C ALA A 112 21.987 1.620 8.994 1.00 0.12 C ATOM 1721 O ALA A 112 23.011 1.082 9.423 1.00 0.15 O ATOM 1722 CB ALA A 112 22.562 2.044 6.623 1.00 0.10 C ATOM 0 H ALA A 112 23.467 4.130 7.584 1.00 0.14 H new ATOM 0 HA ALA A 112 20.999 3.007 7.715 1.00 0.11 H new ATOM 0 HB1 ALA A 112 21.959 1.177 6.352 1.00 0.10 H new ATOM 0 HB2 ALA A 112 22.525 2.778 5.818 1.00 0.10 H new ATOM 0 HB3 ALA A 112 23.594 1.732 6.783 1.00 0.10 H new ATOM 1728 N LYS A 113 20.787 1.378 9.431 1.00 0.11 N ATOM 1729 CA LYS A 113 20.479 0.426 10.460 1.00 0.13 C ATOM 1730 C LYS A 113 19.266 -0.370 10.027 1.00 0.12 C ATOM 1731 O LYS A 113 18.131 0.093 10.130 1.00 0.13 O ATOM 1732 CB LYS A 113 20.179 1.167 11.741 1.00 0.15 C ATOM 1733 CG LYS A 113 20.750 0.497 12.973 1.00 0.24 C ATOM 1734 CD LYS A 113 20.354 1.237 14.241 1.00 0.34 C ATOM 1735 CE LYS A 113 20.849 0.524 15.489 1.00 1.46 C ATOM 1736 NZ LYS A 113 22.332 0.427 15.533 1.00 2.22 N1+ ATOM 0 H LYS A 113 19.963 1.856 9.067 1.00 0.11 H new ATOM 0 HA LYS A 113 21.320 -0.247 10.626 1.00 0.13 H new ATOM 0 HB2 LYS A 113 20.579 2.178 11.669 1.00 0.15 H new ATOM 0 HB3 LYS A 113 19.099 1.259 11.854 1.00 0.15 H new ATOM 0 HG2 LYS A 113 20.397 -0.533 13.026 1.00 0.24 H new ATOM 0 HG3 LYS A 113 21.837 0.458 12.897 1.00 0.24 H new ATOM 0 HD2 LYS A 113 20.761 2.248 14.214 1.00 0.34 H new ATOM 0 HD3 LYS A 113 19.269 1.332 14.283 1.00 0.34 H new ATOM 0 HE2 LYS A 113 20.496 1.055 16.373 1.00 1.46 H new ATOM 0 HE3 LYS A 113 20.420 -0.477 15.527 1.00 1.46 H new ATOM 0 HZ1 LYS A 113 22.629 0.074 16.465 1.00 2.22 H new ATOM 0 HZ2 LYS A 113 22.659 -0.227 14.794 1.00 2.22 H new ATOM 0 HZ3 LYS A 113 22.746 1.367 15.371 1.00 2.22 H new ATOM 1750 N PHE A 114 19.516 -1.555 9.536 1.00 0.11 N ATOM 1751 CA PHE A 114 18.495 -2.313 8.846 1.00 0.10 C ATOM 1752 C PHE A 114 17.667 -3.200 9.745 1.00 0.12 C ATOM 1753 O PHE A 114 18.093 -3.637 10.814 1.00 0.15 O ATOM 1754 CB PHE A 114 19.121 -3.146 7.759 1.00 0.08 C ATOM 1755 CG PHE A 114 19.607 -2.318 6.633 1.00 0.07 C ATOM 1756 CD1 PHE A 114 20.879 -1.793 6.662 1.00 0.07 C ATOM 1757 CD2 PHE A 114 18.797 -2.072 5.546 1.00 0.05 C ATOM 1758 CE1 PHE A 114 21.339 -1.029 5.629 1.00 0.07 C ATOM 1759 CE2 PHE A 114 19.251 -1.305 4.505 1.00 0.05 C ATOM 1760 CZ PHE A 114 20.495 -0.781 4.533 1.00 0.06 C ATOM 0 H PHE A 114 20.421 -2.022 9.599 1.00 0.11 H new ATOM 0 HA PHE A 114 17.810 -1.576 8.427 1.00 0.10 H new ATOM 0 HB2 PHE A 114 19.952 -3.717 8.174 1.00 0.08 H new ATOM 0 HB3 PHE A 114 18.392 -3.867 7.390 1.00 0.08 H new ATOM 0 HD1 PHE A 114 21.519 -1.987 7.510 1.00 0.07 H new ATOM 0 HD2 PHE A 114 17.800 -2.485 5.514 1.00 0.05 H new ATOM 0 HE1 PHE A 114 22.338 -0.620 5.653 1.00 0.07 H new ATOM 0 HE2 PHE A 114 18.609 -1.118 3.657 1.00 0.05 H new ATOM 0 HZ PHE A 114 20.842 -0.171 3.712 1.00 0.06 H new ATOM 1770 N THR A 115 16.474 -3.449 9.261 1.00 0.12 N ATOM 1771 CA THR A 115 15.546 -4.369 9.855 1.00 0.13 C ATOM 1772 C THR A 115 15.093 -5.329 8.787 1.00 0.13 C ATOM 1773 O THR A 115 14.832 -4.925 7.652 1.00 0.13 O ATOM 1774 CB THR A 115 14.342 -3.632 10.473 1.00 0.15 C ATOM 1775 OG1 THR A 115 14.064 -2.436 9.730 1.00 0.15 O ATOM 1776 CG2 THR A 115 14.609 -3.279 11.926 1.00 0.20 C ATOM 0 H THR A 115 16.116 -3.001 8.417 1.00 0.12 H new ATOM 0 HA THR A 115 16.035 -4.910 10.665 1.00 0.13 H new ATOM 0 HB THR A 115 13.479 -4.296 10.430 1.00 0.15 H new ATOM 0 HG1 THR A 115 13.297 -1.975 10.128 1.00 0.15 H new ATOM 0 HG21 THR A 115 13.744 -2.760 12.339 1.00 0.20 H new ATOM 0 HG22 THR A 115 14.790 -4.191 12.495 1.00 0.20 H new ATOM 0 HG23 THR A 115 15.484 -2.633 11.988 1.00 0.20 H new ATOM 1784 N ASP A 116 15.074 -6.598 9.131 1.00 0.16 N ATOM 1785 CA ASP A 116 14.618 -7.639 8.233 1.00 0.18 C ATOM 1786 C ASP A 116 13.121 -7.542 8.092 1.00 0.17 C ATOM 1787 O ASP A 116 12.363 -8.390 8.569 1.00 0.23 O ATOM 1788 CB ASP A 116 15.031 -9.000 8.768 1.00 0.24 C ATOM 1789 CG ASP A 116 16.505 -9.285 8.569 1.00 0.80 C ATOM 1790 OD1 ASP A 116 17.297 -9.042 9.502 1.00 1.36 O ATOM 1791 OD2 ASP A 116 16.883 -9.751 7.474 1.00 0.88 O1- ATOM 0 H ASP A 116 15.375 -6.939 10.044 1.00 0.16 H new ATOM 0 HA ASP A 116 15.073 -7.513 7.251 1.00 0.18 H new ATOM 0 HB2 ASP A 116 14.795 -9.055 9.831 1.00 0.24 H new ATOM 0 HB3 ASP A 116 14.446 -9.774 8.271 1.00 0.24 H new ATOM 1796 N ILE A 117 12.728 -6.479 7.441 1.00 0.14 N ATOM 1797 CA ILE A 117 11.352 -6.076 7.353 1.00 0.13 C ATOM 1798 C ILE A 117 10.526 -7.025 6.536 1.00 0.15 C ATOM 1799 O ILE A 117 10.826 -7.313 5.380 1.00 0.18 O ATOM 1800 CB ILE A 117 11.227 -4.666 6.781 1.00 0.12 C ATOM 1801 CG1 ILE A 117 11.862 -3.703 7.766 1.00 0.12 C ATOM 1802 CG2 ILE A 117 9.768 -4.310 6.513 1.00 0.12 C ATOM 1803 CD1 ILE A 117 11.599 -2.251 7.458 1.00 0.12 C ATOM 0 H ILE A 117 13.369 -5.858 6.948 1.00 0.14 H new ATOM 0 HA ILE A 117 10.966 -6.088 8.372 1.00 0.13 H new ATOM 0 HB ILE A 117 11.742 -4.604 5.822 1.00 0.12 H new ATOM 0 HG12 ILE A 117 11.491 -3.925 8.766 1.00 0.12 H new ATOM 0 HG13 ILE A 117 12.939 -3.872 7.781 1.00 0.12 H new ATOM 0 HG21 ILE A 117 9.709 -3.301 6.106 1.00 0.12 H new ATOM 0 HG22 ILE A 117 9.347 -5.015 5.797 1.00 0.12 H new ATOM 0 HG23 ILE A 117 9.204 -4.359 7.445 1.00 0.12 H new ATOM 0 HD11 ILE A 117 12.086 -1.626 8.207 1.00 0.12 H new ATOM 0 HD12 ILE A 117 11.996 -2.011 6.472 1.00 0.12 H new ATOM 0 HD13 ILE A 117 10.525 -2.065 7.472 1.00 0.12 H new ATOM 1815 N LYS A 118 9.506 -7.536 7.173 1.00 0.14 N ATOM 1816 CA LYS A 118 8.494 -8.266 6.469 1.00 0.16 C ATOM 1817 C LYS A 118 7.260 -7.451 6.291 1.00 0.14 C ATOM 1818 O LYS A 118 6.526 -7.150 7.233 1.00 0.22 O ATOM 1819 CB LYS A 118 8.174 -9.560 7.162 1.00 0.23 C ATOM 1820 CG LYS A 118 9.369 -10.440 7.138 1.00 0.30 C ATOM 1821 CD LYS A 118 9.611 -11.001 5.753 1.00 0.38 C ATOM 1822 CE LYS A 118 8.803 -12.257 5.493 1.00 1.10 C ATOM 1823 NZ LYS A 118 8.904 -12.679 4.075 1.00 1.87 N1+ ATOM 0 H LYS A 118 9.357 -7.458 8.179 1.00 0.14 H new ATOM 0 HA LYS A 118 8.891 -8.498 5.481 1.00 0.16 H new ATOM 0 HB2 LYS A 118 7.870 -9.369 8.191 1.00 0.23 H new ATOM 0 HB3 LYS A 118 7.336 -10.052 6.668 1.00 0.23 H new ATOM 0 HG2 LYS A 118 10.244 -9.877 7.463 1.00 0.30 H new ATOM 0 HG3 LYS A 118 9.235 -11.258 7.846 1.00 0.30 H new ATOM 0 HD2 LYS A 118 9.356 -10.247 5.008 1.00 0.38 H new ATOM 0 HD3 LYS A 118 10.672 -11.222 5.633 1.00 0.38 H new ATOM 0 HE2 LYS A 118 9.157 -13.060 6.140 1.00 1.10 H new ATOM 0 HE3 LYS A 118 7.758 -12.079 5.748 1.00 1.10 H new ATOM 0 HZ1 LYS A 118 8.275 -13.490 3.909 1.00 1.87 H new ATOM 0 HZ2 LYS A 118 8.624 -11.891 3.457 1.00 1.87 H new ATOM 0 HZ3 LYS A 118 9.885 -12.953 3.863 1.00 1.87 H new ATOM 1837 N THR A 119 7.056 -7.102 5.062 1.00 0.10 N ATOM 1838 CA THR A 119 5.878 -6.407 4.645 1.00 0.09 C ATOM 1839 C THR A 119 4.800 -7.412 4.380 1.00 0.12 C ATOM 1840 O THR A 119 3.610 -7.095 4.349 1.00 0.16 O ATOM 1841 CB THR A 119 6.173 -5.665 3.358 1.00 0.07 C ATOM 1842 OG1 THR A 119 6.464 -6.599 2.313 1.00 0.08 O ATOM 1843 CG2 THR A 119 7.354 -4.775 3.556 1.00 0.06 C ATOM 0 H THR A 119 7.713 -7.294 4.306 1.00 0.10 H new ATOM 0 HA THR A 119 5.564 -5.705 5.418 1.00 0.09 H new ATOM 0 HB THR A 119 5.302 -5.071 3.083 1.00 0.07 H new ATOM 0 HG1 THR A 119 7.367 -6.959 2.438 1.00 0.08 H new ATOM 0 HG21 THR A 119 7.566 -4.241 2.630 1.00 0.06 H new ATOM 0 HG22 THR A 119 7.140 -4.057 4.348 1.00 0.06 H new ATOM 0 HG23 THR A 119 8.220 -5.376 3.835 1.00 0.06 H new ATOM 1851 N GLY A 120 5.241 -8.644 4.191 1.00 0.13 N ATOM 1852 CA GLY A 120 4.349 -9.653 3.721 1.00 0.14 C ATOM 1853 C GLY A 120 4.432 -9.804 2.218 1.00 0.13 C ATOM 1854 O GLY A 120 3.954 -10.789 1.649 1.00 0.18 O ATOM 0 H GLY A 120 6.199 -8.953 4.357 1.00 0.13 H new ATOM 0 HA2 GLY A 120 4.588 -10.604 4.198 1.00 0.14 H new ATOM 0 HA3 GLY A 120 3.328 -9.401 4.007 1.00 0.14 H new ATOM 1858 N ASN A 121 5.047 -8.822 1.565 1.00 0.10 N ATOM 1859 CA ASN A 121 5.256 -8.877 0.133 1.00 0.10 C ATOM 1860 C ASN A 121 6.612 -9.479 -0.157 1.00 0.16 C ATOM 1861 O ASN A 121 7.580 -8.760 -0.295 1.00 0.30 O ATOM 1862 CB ASN A 121 5.175 -7.476 -0.475 1.00 0.11 C ATOM 1863 CG ASN A 121 5.244 -7.484 -1.981 1.00 0.16 C ATOM 1864 OD1 ASN A 121 5.005 -8.501 -2.629 1.00 0.45 O ATOM 1865 ND2 ASN A 121 5.532 -6.329 -2.549 1.00 0.13 N ATOM 0 H ASN A 121 5.408 -7.979 2.012 1.00 0.10 H new ATOM 0 HA ASN A 121 4.477 -9.496 -0.312 1.00 0.10 H new ATOM 0 HB2 ASN A 121 4.244 -7.003 -0.162 1.00 0.11 H new ATOM 0 HB3 ASN A 121 5.990 -6.868 -0.082 1.00 0.11 H new ATOM 0 HD21 ASN A 121 5.563 -6.254 -3.566 1.00 0.13 H new ATOM 0 HD22 ASN A 121 5.724 -5.510 -1.971 1.00 0.13 H new ATOM 1872 N THR A 122 6.669 -10.800 -0.209 1.00 0.15 N ATOM 1873 CA THR A 122 7.926 -11.535 -0.251 1.00 0.16 C ATOM 1874 C THR A 122 8.938 -10.961 -1.213 1.00 0.12 C ATOM 1875 O THR A 122 10.023 -10.611 -0.797 1.00 0.11 O ATOM 1876 CB THR A 122 7.675 -12.979 -0.627 1.00 0.20 C ATOM 1877 OG1 THR A 122 6.690 -13.543 0.249 1.00 0.26 O ATOM 1878 CG2 THR A 122 8.961 -13.777 -0.561 1.00 0.19 C ATOM 0 H THR A 122 5.842 -11.397 -0.223 1.00 0.15 H new ATOM 0 HA THR A 122 8.345 -11.454 0.752 1.00 0.16 H new ATOM 0 HB THR A 122 7.303 -13.018 -1.651 1.00 0.20 H new ATOM 0 HG1 THR A 122 6.529 -14.477 0.002 1.00 0.26 H new ATOM 0 HG21 THR A 122 8.761 -14.813 -0.835 1.00 0.19 H new ATOM 0 HG22 THR A 122 9.688 -13.353 -1.253 1.00 0.19 H new ATOM 0 HG23 THR A 122 9.360 -13.740 0.452 1.00 0.19 H new ATOM 1886 N GLU A 123 8.590 -10.876 -2.482 1.00 0.14 N ATOM 1887 CA GLU A 123 9.491 -10.355 -3.493 1.00 0.14 C ATOM 1888 C GLU A 123 10.012 -9.001 -3.084 1.00 0.11 C ATOM 1889 O GLU A 123 11.166 -8.681 -3.317 1.00 0.15 O ATOM 1890 CB GLU A 123 8.763 -10.248 -4.812 1.00 0.21 C ATOM 1891 CG GLU A 123 8.018 -11.512 -5.158 1.00 0.30 C ATOM 1892 CD GLU A 123 8.649 -12.283 -6.297 1.00 1.16 C ATOM 1893 OE1 GLU A 123 9.705 -12.916 -6.084 1.00 1.66 O ATOM 1894 OE2 GLU A 123 8.078 -12.277 -7.409 1.00 1.46 O1- ATOM 0 H GLU A 123 7.680 -11.164 -2.841 1.00 0.14 H new ATOM 0 HA GLU A 123 10.336 -11.036 -3.599 1.00 0.14 H new ATOM 0 HB2 GLU A 123 8.061 -9.415 -4.771 1.00 0.21 H new ATOM 0 HB3 GLU A 123 9.479 -10.023 -5.602 1.00 0.21 H new ATOM 0 HG2 GLU A 123 7.972 -12.152 -4.277 1.00 0.30 H new ATOM 0 HG3 GLU A 123 6.991 -11.260 -5.423 1.00 0.30 H new ATOM 1901 N LEU A 124 9.161 -8.233 -2.432 1.00 0.09 N ATOM 1902 CA LEU A 124 9.556 -6.957 -1.896 1.00 0.07 C ATOM 1903 C LEU A 124 10.463 -7.176 -0.721 1.00 0.08 C ATOM 1904 O LEU A 124 11.491 -6.548 -0.615 1.00 0.08 O ATOM 1905 CB LEU A 124 8.362 -6.184 -1.414 1.00 0.07 C ATOM 1906 CG LEU A 124 8.721 -5.061 -0.476 1.00 0.05 C ATOM 1907 CD1 LEU A 124 9.452 -3.992 -1.228 1.00 0.04 C ATOM 1908 CD2 LEU A 124 7.496 -4.526 0.193 1.00 0.05 C ATOM 0 H LEU A 124 8.185 -8.478 -2.263 1.00 0.09 H new ATOM 0 HA LEU A 124 10.058 -6.398 -2.686 1.00 0.07 H new ATOM 0 HB2 LEU A 124 7.831 -5.775 -2.274 1.00 0.07 H new ATOM 0 HB3 LEU A 124 7.676 -6.865 -0.910 1.00 0.07 H new ATOM 0 HG LEU A 124 9.379 -5.438 0.307 1.00 0.05 H new ATOM 0 HD11 LEU A 124 9.711 -3.181 -0.548 1.00 0.04 H new ATOM 0 HD12 LEU A 124 10.362 -4.408 -1.659 1.00 0.04 H new ATOM 0 HD13 LEU A 124 8.816 -3.608 -2.025 1.00 0.04 H new ATOM 0 HD21 LEU A 124 7.774 -3.716 0.867 1.00 0.05 H new ATOM 0 HD22 LEU A 124 6.805 -4.150 -0.561 1.00 0.05 H new ATOM 0 HD23 LEU A 124 7.015 -5.322 0.762 1.00 0.05 H new ATOM 1920 N ASP A 125 10.053 -8.081 0.154 1.00 0.09 N ATOM 1921 CA ASP A 125 10.817 -8.446 1.323 1.00 0.12 C ATOM 1922 C ASP A 125 12.217 -8.825 0.886 1.00 0.12 C ATOM 1923 O ASP A 125 13.203 -8.560 1.569 1.00 0.19 O ATOM 1924 CB ASP A 125 10.139 -9.627 2.033 1.00 0.21 C ATOM 1925 CG ASP A 125 8.831 -9.270 2.723 1.00 0.97 C ATOM 1926 OD1 ASP A 125 8.010 -10.172 2.999 1.00 1.49 O ATOM 1927 OD2 ASP A 125 8.618 -8.063 2.989 1.00 1.21 O1- ATOM 0 H ASP A 125 9.170 -8.584 0.066 1.00 0.09 H new ATOM 0 HA ASP A 125 10.868 -7.608 2.018 1.00 0.12 H new ATOM 0 HB2 ASP A 125 9.949 -10.415 1.304 1.00 0.21 H new ATOM 0 HB3 ASP A 125 10.827 -10.036 2.772 1.00 0.21 H new ATOM 1932 N LYS A 126 12.279 -9.434 -0.287 1.00 0.10 N ATOM 1933 CA LYS A 126 13.522 -9.826 -0.902 1.00 0.10 C ATOM 1934 C LYS A 126 14.261 -8.655 -1.520 1.00 0.11 C ATOM 1935 O LYS A 126 15.479 -8.694 -1.643 1.00 0.17 O ATOM 1936 CB LYS A 126 13.233 -10.891 -1.955 1.00 0.11 C ATOM 1937 CG LYS A 126 12.347 -12.007 -1.442 1.00 0.13 C ATOM 1938 CD LYS A 126 12.327 -13.210 -2.375 1.00 0.18 C ATOM 1939 CE LYS A 126 13.702 -13.846 -2.522 1.00 0.62 C ATOM 1940 NZ LYS A 126 14.236 -14.322 -1.217 1.00 1.29 N1+ ATOM 0 H LYS A 126 11.455 -9.670 -0.839 1.00 0.10 H new ATOM 0 HA LYS A 126 14.175 -10.226 -0.126 1.00 0.10 H new ATOM 0 HB2 LYS A 126 12.756 -10.423 -2.816 1.00 0.11 H new ATOM 0 HB3 LYS A 126 14.175 -11.314 -2.304 1.00 0.11 H new ATOM 0 HG2 LYS A 126 12.695 -12.320 -0.458 1.00 0.13 H new ATOM 0 HG3 LYS A 126 11.331 -11.632 -1.316 1.00 0.13 H new ATOM 0 HD2 LYS A 126 11.624 -13.951 -1.994 1.00 0.18 H new ATOM 0 HD3 LYS A 126 11.965 -12.901 -3.356 1.00 0.18 H new ATOM 0 HE2 LYS A 126 13.642 -14.684 -3.217 1.00 0.62 H new ATOM 0 HE3 LYS A 126 14.393 -13.122 -2.954 1.00 0.62 H new ATOM 0 HZ1 LYS A 126 15.069 -14.923 -1.381 1.00 1.29 H new ATOM 0 HZ2 LYS A 126 14.509 -13.505 -0.634 1.00 1.29 H new ATOM 0 HZ3 LYS A 126 13.505 -14.871 -0.722 1.00 1.29 H new ATOM 1954 N VAL A 127 13.554 -7.607 -1.880 1.00 0.08 N ATOM 1955 CA VAL A 127 14.200 -6.465 -2.472 1.00 0.07 C ATOM 1956 C VAL A 127 14.570 -5.490 -1.375 1.00 0.06 C ATOM 1957 O VAL A 127 15.547 -4.751 -1.472 1.00 0.06 O ATOM 1958 CB VAL A 127 13.324 -5.765 -3.510 1.00 0.07 C ATOM 1959 CG1 VAL A 127 14.101 -4.646 -4.170 1.00 0.07 C ATOM 1960 CG2 VAL A 127 12.837 -6.743 -4.559 1.00 0.09 C ATOM 0 H VAL A 127 12.543 -7.525 -1.774 1.00 0.08 H new ATOM 0 HA VAL A 127 15.089 -6.818 -2.994 1.00 0.07 H new ATOM 0 HB VAL A 127 12.455 -5.351 -2.999 1.00 0.07 H new ATOM 0 HG11 VAL A 127 13.470 -4.152 -4.909 1.00 0.07 H new ATOM 0 HG12 VAL A 127 14.410 -3.923 -3.415 1.00 0.07 H new ATOM 0 HG13 VAL A 127 14.983 -5.056 -4.662 1.00 0.07 H new ATOM 0 HG21 VAL A 127 12.216 -6.218 -5.285 1.00 0.09 H new ATOM 0 HG22 VAL A 127 13.693 -7.187 -5.067 1.00 0.09 H new ATOM 0 HG23 VAL A 127 12.251 -7.528 -4.081 1.00 0.09 H new ATOM 1970 N LEU A 128 13.779 -5.524 -0.318 1.00 0.06 N ATOM 1971 CA LEU A 128 14.082 -4.807 0.898 1.00 0.05 C ATOM 1972 C LEU A 128 15.451 -5.255 1.321 1.00 0.06 C ATOM 1973 O LEU A 128 16.368 -4.482 1.578 1.00 0.06 O ATOM 1974 CB LEU A 128 13.110 -5.216 1.990 1.00 0.06 C ATOM 1975 CG LEU A 128 11.655 -4.929 1.706 1.00 0.06 C ATOM 1976 CD1 LEU A 128 10.807 -5.254 2.922 1.00 0.07 C ATOM 1977 CD2 LEU A 128 11.475 -3.486 1.290 1.00 0.06 C ATOM 0 H LEU A 128 12.907 -6.052 -0.283 1.00 0.06 H new ATOM 0 HA LEU A 128 14.020 -3.731 0.737 1.00 0.05 H new ATOM 0 HB2 LEU A 128 13.223 -6.285 2.171 1.00 0.06 H new ATOM 0 HB3 LEU A 128 13.390 -4.705 2.911 1.00 0.06 H new ATOM 0 HG LEU A 128 11.326 -5.563 0.883 1.00 0.06 H new ATOM 0 HD11 LEU A 128 9.760 -5.042 2.703 1.00 0.07 H new ATOM 0 HD12 LEU A 128 10.919 -6.309 3.172 1.00 0.07 H new ATOM 0 HD13 LEU A 128 11.132 -4.645 3.765 1.00 0.07 H new ATOM 0 HD21 LEU A 128 10.421 -3.294 1.089 1.00 0.06 H new ATOM 0 HD22 LEU A 128 11.816 -2.831 2.092 1.00 0.06 H new ATOM 0 HD23 LEU A 128 12.058 -3.292 0.390 1.00 0.06 H new ATOM 1989 N ASP A 129 15.531 -6.568 1.309 1.00 0.06 N ATOM 1990 CA ASP A 129 16.706 -7.339 1.668 1.00 0.07 C ATOM 1991 C ASP A 129 17.882 -6.975 0.816 1.00 0.07 C ATOM 1992 O ASP A 129 19.000 -6.806 1.287 1.00 0.07 O ATOM 1993 CB ASP A 129 16.396 -8.770 1.352 1.00 0.10 C ATOM 1994 CG ASP A 129 16.921 -9.753 2.376 1.00 0.17 C ATOM 1995 OD1 ASP A 129 18.062 -10.229 2.226 1.00 0.37 O ATOM 1996 OD2 ASP A 129 16.195 -10.033 3.353 1.00 0.35 O1- ATOM 0 H ASP A 129 14.743 -7.156 1.036 1.00 0.06 H new ATOM 0 HA ASP A 129 16.942 -7.155 2.716 1.00 0.07 H new ATOM 0 HB2 ASP A 129 15.315 -8.888 1.271 1.00 0.10 H new ATOM 0 HB3 ASP A 129 16.818 -9.016 0.377 1.00 0.10 H new ATOM 2001 N LYS A 130 17.587 -6.942 -0.458 1.00 0.07 N ATOM 2002 CA LYS A 130 18.506 -6.581 -1.503 1.00 0.07 C ATOM 2003 C LYS A 130 19.284 -5.368 -1.105 1.00 0.06 C ATOM 2004 O LYS A 130 20.504 -5.322 -1.207 1.00 0.07 O ATOM 2005 CB LYS A 130 17.644 -6.305 -2.706 1.00 0.08 C ATOM 2006 CG LYS A 130 17.730 -7.304 -3.839 1.00 0.12 C ATOM 2007 CD LYS A 130 17.888 -8.695 -3.341 1.00 0.15 C ATOM 2008 CE LYS A 130 19.331 -9.184 -3.416 1.00 1.00 C ATOM 2009 NZ LYS A 130 19.844 -9.180 -4.810 1.00 1.66 N1+ ATOM 0 H LYS A 130 16.659 -7.177 -0.809 1.00 0.07 H new ATOM 0 HA LYS A 130 19.235 -7.365 -1.708 1.00 0.07 H new ATOM 0 HB2 LYS A 130 16.606 -6.250 -2.377 1.00 0.08 H new ATOM 0 HB3 LYS A 130 17.907 -5.322 -3.097 1.00 0.08 H new ATOM 0 HG2 LYS A 130 16.830 -7.237 -4.451 1.00 0.12 H new ATOM 0 HG3 LYS A 130 18.572 -7.051 -4.483 1.00 0.12 H new ATOM 0 HD2 LYS A 130 17.543 -8.749 -2.308 1.00 0.15 H new ATOM 0 HD3 LYS A 130 17.252 -9.360 -3.925 1.00 0.15 H new ATOM 0 HE2 LYS A 130 19.963 -8.549 -2.795 1.00 1.00 H new ATOM 0 HE3 LYS A 130 19.394 -10.193 -3.008 1.00 1.00 H new ATOM 0 HZ1 LYS A 130 20.553 -9.933 -4.921 1.00 1.66 H new ATOM 0 HZ2 LYS A 130 19.057 -9.345 -5.470 1.00 1.66 H new ATOM 0 HZ3 LYS A 130 20.282 -8.259 -5.016 1.00 1.66 H new ATOM 2023 N ALA A 131 18.560 -4.430 -0.578 1.00 0.06 N ATOM 2024 CA ALA A 131 19.134 -3.182 -0.148 1.00 0.05 C ATOM 2025 C ALA A 131 19.990 -3.404 1.069 1.00 0.05 C ATOM 2026 O ALA A 131 21.137 -3.000 1.124 1.00 0.05 O ATOM 2027 CB ALA A 131 18.044 -2.209 0.180 1.00 0.04 C ATOM 0 H ALA A 131 17.553 -4.503 -0.431 1.00 0.06 H new ATOM 0 HA ALA A 131 19.749 -2.779 -0.953 1.00 0.05 H new ATOM 0 HB1 ALA A 131 18.484 -1.266 0.505 1.00 0.04 H new ATOM 0 HB2 ALA A 131 17.431 -2.038 -0.705 1.00 0.04 H new ATOM 0 HB3 ALA A 131 17.423 -2.614 0.979 1.00 0.04 H new ATOM 2033 N ILE A 132 19.408 -4.050 2.049 1.00 0.05 N ATOM 2034 CA ILE A 132 20.113 -4.421 3.256 1.00 0.06 C ATOM 2035 C ILE A 132 21.391 -5.157 2.944 1.00 0.08 C ATOM 2036 O ILE A 132 22.335 -5.165 3.730 1.00 0.09 O ATOM 2037 CB ILE A 132 19.242 -5.335 4.097 1.00 0.07 C ATOM 2038 CG1 ILE A 132 17.820 -4.796 4.041 1.00 0.06 C ATOM 2039 CG2 ILE A 132 19.759 -5.431 5.525 1.00 0.08 C ATOM 2040 CD1 ILE A 132 16.904 -5.243 5.153 1.00 0.07 C ATOM 0 H ILE A 132 18.429 -4.335 2.034 1.00 0.05 H new ATOM 0 HA ILE A 132 20.349 -3.502 3.793 1.00 0.06 H new ATOM 0 HB ILE A 132 19.265 -6.351 3.702 1.00 0.07 H new ATOM 0 HG12 ILE A 132 17.864 -3.707 4.048 1.00 0.06 H new ATOM 0 HG13 ILE A 132 17.377 -5.091 3.090 1.00 0.06 H new ATOM 0 HG21 ILE A 132 19.113 -6.093 6.102 1.00 0.08 H new ATOM 0 HG22 ILE A 132 20.774 -5.829 5.519 1.00 0.08 H new ATOM 0 HG23 ILE A 132 19.761 -4.440 5.979 1.00 0.08 H new ATOM 0 HD11 ILE A 132 15.918 -4.799 5.013 1.00 0.07 H new ATOM 0 HD12 ILE A 132 16.818 -6.330 5.139 1.00 0.07 H new ATOM 0 HD13 ILE A 132 17.313 -4.924 6.112 1.00 0.07 H new ATOM 2052 N SER A 133 21.407 -5.771 1.784 1.00 0.08 N ATOM 2053 CA SER A 133 22.515 -6.549 1.371 1.00 0.10 C ATOM 2054 C SER A 133 23.601 -5.646 0.778 1.00 0.08 C ATOM 2055 O SER A 133 24.748 -6.051 0.588 1.00 0.11 O ATOM 2056 CB SER A 133 22.014 -7.571 0.396 1.00 0.13 C ATOM 2057 OG SER A 133 21.147 -8.501 1.032 1.00 1.33 O ATOM 0 H SER A 133 20.642 -5.735 1.110 1.00 0.08 H new ATOM 0 HA SER A 133 22.976 -7.065 2.213 1.00 0.10 H new ATOM 0 HB2 SER A 133 21.486 -7.074 -0.418 1.00 0.13 H new ATOM 0 HB3 SER A 133 22.858 -8.100 -0.048 1.00 0.13 H new ATOM 0 HG SER A 133 20.286 -8.071 1.219 1.00 1.33 H new ATOM 2063 N LEU A 134 23.202 -4.414 0.484 1.00 0.08 N ATOM 2064 CA LEU A 134 24.123 -3.333 0.182 1.00 0.08 C ATOM 2065 C LEU A 134 24.657 -2.778 1.495 1.00 0.08 C ATOM 2066 O LEU A 134 25.779 -2.273 1.569 1.00 0.10 O ATOM 2067 CB LEU A 134 23.414 -2.216 -0.577 1.00 0.07 C ATOM 2068 CG LEU A 134 23.223 -2.358 -2.081 1.00 0.08 C ATOM 2069 CD1 LEU A 134 22.595 -3.675 -2.468 1.00 0.08 C ATOM 2070 CD2 LEU A 134 22.380 -1.196 -2.545 1.00 0.08 C ATOM 0 H LEU A 134 22.221 -4.138 0.449 1.00 0.08 H new ATOM 0 HA LEU A 134 24.934 -3.715 -0.439 1.00 0.08 H new ATOM 0 HB2 LEU A 134 22.428 -2.087 -0.130 1.00 0.07 H new ATOM 0 HB3 LEU A 134 23.967 -1.294 -0.400 1.00 0.07 H new ATOM 0 HG LEU A 134 24.198 -2.348 -2.568 1.00 0.08 H new ATOM 0 HD11 LEU A 134 22.483 -3.720 -3.551 1.00 0.08 H new ATOM 0 HD12 LEU A 134 23.232 -4.494 -2.134 1.00 0.08 H new ATOM 0 HD13 LEU A 134 21.615 -3.763 -1.998 1.00 0.08 H new ATOM 0 HD21 LEU A 134 22.223 -1.267 -3.621 1.00 0.08 H new ATOM 0 HD22 LEU A 134 21.417 -1.219 -2.036 1.00 0.08 H new ATOM 0 HD23 LEU A 134 22.890 -0.261 -2.313 1.00 0.08 H new ATOM 2082 N GLY A 135 23.819 -2.874 2.529 1.00 0.09 N ATOM 2083 CA GLY A 135 24.189 -2.409 3.849 1.00 0.12 C ATOM 2084 C GLY A 135 25.252 -3.270 4.497 1.00 0.27 C ATOM 2085 O GLY A 135 25.986 -2.756 5.370 1.00 1.05 O ATOM 2086 OXT GLY A 135 25.366 -4.458 4.136 1.00 1.19 O ATOM 0 H GLY A 135 22.881 -3.271 2.468 1.00 0.09 H new ATOM 0 HA2 GLY A 135 24.551 -1.383 3.780 1.00 0.12 H new ATOM 0 HA3 GLY A 135 23.304 -2.392 4.485 1.00 0.12 H new TER 2090 GLY A 135