USER MOD reduce.3.24.130724 H: found=0, std=0, add=1554, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1558 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: B 62 SER OG : rot -155:sc= 0.333 USER MOD Set 1.2: B 69 THR OG1 : rot 180:sc= 0.344 USER MOD Set 2.1: A 88 CYS SG : rot -102:sc= -0.124 USER MOD Set 2.2: A 90 SER OG : rot -170:sc= 0.16 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -138:sc= 2.37 (180deg=1.7) USER MOD Single : A 31 MET CE :methyl 161:sc= 0 (180deg=-0.0619) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -40:sc= 0.603 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 51 GLN : amide:sc= -0.0823 K(o=-0.082,f=-1.2!) USER MOD Single : A 52 THR OG1 : rot 63:sc= 1.26 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.163 K(o=0.16,f=-3.8!) USER MOD Single : A 60 CYS SG : rot -96:sc= 0.886 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.005 USER MOD Single : A 68 ASN : amide:sc=-0.000574 K(o=-0.00057,f=-0.73) USER MOD Single : A 80 CYS SG : rot 69:sc= -2.22! USER MOD Single : A 83 LYS NZ :NH3+ -155:sc= 1.04 (180deg=0.0439) USER MOD Single : A 87 GLN : amide:sc= -0.554 X(o=-0.55,f=-0.93) USER MOD Single : A 94 TYR OH : rot -169:sc= 1.21 USER MOD Single : A 97 LYS NZ :NH3+ -178:sc= 0.481 (180deg=0.479) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= -0.0813 USER MOD Single : A 103 LYS NZ :NH3+ 162:sc= -0.0493 (180deg=-0.292) USER MOD Single : A 109 MET CE :methyl 178:sc= 0 (180deg=-0.00511) USER MOD Single : A 110 GLN : amide:sc= 0.516 K(o=0.52,f=-7.9!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0248 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 HIS : no HD1:sc= -0.0792 X(o=-0.079,f=-0.24) USER MOD Single : A 121 CYS SG : rot 59:sc= 0.696 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 1.67 K(o=1.7,f=-5.2!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 ASN : amide:sc= 0.255 K(o=0.26,f=-5.2!) USER MOD Single : A 130 ASN : amide:sc= 0.434 X(o=0.43,f=0) USER MOD Single : B 31 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0525) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 THR OG1 : rot -53:sc= 1.23 USER MOD Single : B 38 LYS NZ :NH3+ 175:sc= 2.23 (180deg=2.04) USER MOD Single : B 39 THR OG1 : rot 17:sc= 0.563 USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 ASN : amide:sc= -0.947 K(o=-0.95,f=-4!) USER MOD Single : B 52 SER OG : rot -179:sc= -2.85! USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 55 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : B 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 58 LYS NZ :NH3+ -150:sc= 1.23 (180deg=1.1) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 67 SER OG : rot 180:sc= -0.0161 USER MOD Single : B 68 GLN : amide:sc= -0.016 K(o=-0.016,f=-1.1) USER MOD Single : B 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 79 LYS NZ :NH3+ -179:sc= 0.0996 (180deg=0.0993) USER MOD Single : B 82 LYS NZ :NH3+ 174:sc= 0.128 (180deg=0.12) USER MOD Single : B 84 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : B 86 THR OG1 : rot 180:sc= 0 USER MOD Single : B 89 GLN : amide:sc= -0.0722 X(o=-0.072,f=-0.022) USER MOD Single : B 90 HIS : no HD1:sc= -0.0349 X(o=-0.035,f=0) USER MOD Single : B 93 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.48) USER MOD Single : B 97 THR OG1 : rot 180:sc= 0.0137 USER MOD Single : B 99 HIS : no HE2:sc= -2.65 K(o=-1.6,f=-7.7!) USER MOD Single : B 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 21 -11.997 21.752 8.184 1.00 0.79 N ATOM 2 CA LYS A 21 -13.093 20.782 7.958 1.00 0.63 C ATOM 3 C LYS A 21 -12.547 19.535 7.280 1.00 0.53 C ATOM 4 O LYS A 21 -11.342 19.432 7.047 1.00 0.61 O ATOM 5 CB LYS A 21 -14.201 21.410 7.102 1.00 0.62 C ATOM 6 CG LYS A 21 -13.728 21.870 5.729 1.00 0.66 C ATOM 7 CD LYS A 21 -14.897 22.261 4.832 1.00 0.77 C ATOM 8 CE LYS A 21 -15.563 23.546 5.297 1.00 0.90 C ATOM 9 NZ LYS A 21 -16.617 23.994 4.350 1.00 1.10 N ATOM 0 HA LYS A 21 -13.520 20.505 8.922 1.00 0.63 H new ATOM 0 HB2 LYS A 21 -15.005 20.685 6.975 1.00 0.62 H new ATOM 0 HB3 LYS A 21 -14.621 22.262 7.636 1.00 0.62 H new ATOM 0 HG2 LYS A 21 -13.055 22.720 5.842 1.00 0.66 H new ATOM 0 HG3 LYS A 21 -13.156 21.072 5.255 1.00 0.66 H new ATOM 0 HD2 LYS A 21 -14.544 22.385 3.808 1.00 0.77 H new ATOM 0 HD3 LYS A 21 -15.631 21.455 4.820 1.00 0.77 H new ATOM 0 HE2 LYS A 21 -16.002 23.392 6.283 1.00 0.90 H new ATOM 0 HE3 LYS A 21 -14.811 24.328 5.401 1.00 0.90 H new ATOM 0 HZ1 LYS A 21 -17.048 24.873 4.701 1.00 1.10 H new ATOM 0 HZ2 LYS A 21 -16.194 24.165 3.415 1.00 1.10 H new ATOM 0 HZ3 LYS A 21 -17.347 23.258 4.270 1.00 1.10 H new ATOM 23 N TYR A 22 -13.424 18.584 6.979 1.00 0.49 N ATOM 24 CA TYR A 22 -13.013 17.353 6.326 1.00 0.49 C ATOM 25 C TYR A 22 -13.572 17.303 4.911 1.00 0.47 C ATOM 26 O TYR A 22 -14.541 17.993 4.594 1.00 0.57 O ATOM 27 CB TYR A 22 -13.488 16.125 7.116 1.00 0.56 C ATOM 28 CG TYR A 22 -13.488 16.307 8.620 1.00 0.55 C ATOM 29 CD1 TYR A 22 -12.392 16.840 9.286 1.00 0.56 C ATOM 30 CD2 TYR A 22 -14.596 15.941 9.372 1.00 0.61 C ATOM 31 CE1 TYR A 22 -12.399 17.001 10.658 1.00 0.60 C ATOM 32 CE2 TYR A 22 -14.612 16.097 10.743 1.00 0.67 C ATOM 33 CZ TYR A 22 -13.512 16.631 11.380 1.00 0.65 C ATOM 34 OH TYR A 22 -13.526 16.796 12.748 1.00 0.75 O ATOM 0 H TYR A 22 -14.423 18.644 7.178 1.00 0.49 H new ATOM 0 HA TYR A 22 -11.924 17.336 6.287 1.00 0.49 H new ATOM 0 HB2 TYR A 22 -14.497 15.870 6.794 1.00 0.56 H new ATOM 0 HB3 TYR A 22 -12.849 15.278 6.865 1.00 0.56 H new ATOM 0 HD1 TYR A 22 -11.519 17.134 8.722 1.00 0.56 H new ATOM 0 HD2 TYR A 22 -15.461 15.527 8.875 1.00 0.61 H new ATOM 0 HE1 TYR A 22 -11.537 17.414 11.161 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -15.481 15.803 11.313 1.00 0.67 H new ATOM 0 HH TYR A 22 -14.384 16.487 13.106 1.00 0.75 H new ATOM 44 N LEU A 23 -12.957 16.495 4.064 1.00 0.41 N ATOM 45 CA LEU A 23 -13.403 16.354 2.684 1.00 0.43 C ATOM 46 C LEU A 23 -14.589 15.400 2.615 1.00 0.43 C ATOM 47 O LEU A 23 -15.641 15.726 2.068 1.00 0.52 O ATOM 48 CB LEU A 23 -12.256 15.847 1.805 1.00 0.45 C ATOM 49 CG LEU A 23 -11.037 16.772 1.737 1.00 0.54 C ATOM 50 CD1 LEU A 23 -9.841 16.036 1.158 1.00 0.64 C ATOM 51 CD2 LEU A 23 -11.347 18.016 0.913 1.00 0.70 C ATOM 0 H LEU A 23 -12.146 15.925 4.306 1.00 0.41 H new ATOM 0 HA LEU A 23 -13.717 17.329 2.312 1.00 0.43 H new ATOM 0 HB2 LEU A 23 -11.935 14.874 2.177 1.00 0.45 H new ATOM 0 HB3 LEU A 23 -12.633 15.693 0.794 1.00 0.45 H new ATOM 0 HG LEU A 23 -10.792 17.087 2.751 1.00 0.54 H new ATOM 0 HD11 LEU A 23 -8.984 16.709 1.117 1.00 0.64 H new ATOM 0 HD12 LEU A 23 -9.600 15.180 1.789 1.00 0.64 H new ATOM 0 HD13 LEU A 23 -10.079 15.690 0.152 1.00 0.64 H new ATOM 0 HD21 LEU A 23 -10.467 18.658 0.879 1.00 0.70 H new ATOM 0 HD22 LEU A 23 -11.622 17.722 -0.100 1.00 0.70 H new ATOM 0 HD23 LEU A 23 -12.174 18.559 1.370 1.00 0.70 H new ATOM 63 N VAL A 24 -14.410 14.223 3.193 1.00 0.42 N ATOM 64 CA VAL A 24 -15.450 13.208 3.227 1.00 0.46 C ATOM 65 C VAL A 24 -15.594 12.681 4.651 1.00 0.43 C ATOM 66 O VAL A 24 -14.592 12.436 5.324 1.00 0.44 O ATOM 67 CB VAL A 24 -15.135 12.031 2.272 1.00 0.54 C ATOM 68 CG1 VAL A 24 -16.254 10.998 2.294 1.00 0.70 C ATOM 69 CG2 VAL A 24 -14.903 12.532 0.852 1.00 0.76 C ATOM 0 H VAL A 24 -13.542 13.945 3.651 1.00 0.42 H new ATOM 0 HA VAL A 24 -16.381 13.668 2.896 1.00 0.46 H new ATOM 0 HB VAL A 24 -14.220 11.553 2.622 1.00 0.54 H new ATOM 0 HG11 VAL A 24 -16.009 10.181 1.615 1.00 0.70 H new ATOM 0 HG12 VAL A 24 -16.369 10.607 3.305 1.00 0.70 H new ATOM 0 HG13 VAL A 24 -17.187 11.465 1.978 1.00 0.70 H new ATOM 0 HG21 VAL A 24 -14.683 11.687 0.199 1.00 0.76 H new ATOM 0 HG22 VAL A 24 -15.798 13.043 0.496 1.00 0.76 H new ATOM 0 HG23 VAL A 24 -14.062 13.225 0.844 1.00 0.76 H new ATOM 79 N GLU A 25 -16.832 12.543 5.115 1.00 0.45 N ATOM 80 CA GLU A 25 -17.096 12.049 6.460 1.00 0.45 C ATOM 81 C GLU A 25 -18.348 11.176 6.477 1.00 0.47 C ATOM 82 O GLU A 25 -19.359 11.515 5.861 1.00 0.55 O ATOM 83 CB GLU A 25 -17.262 13.218 7.440 1.00 0.49 C ATOM 84 CG GLU A 25 -18.168 14.329 6.926 1.00 0.56 C ATOM 85 CD GLU A 25 -18.626 15.278 8.018 1.00 0.69 C ATOM 86 OE1 GLU A 25 -17.773 15.959 8.619 1.00 0.95 O ATOM 87 OE2 GLU A 25 -19.848 15.352 8.269 1.00 0.96 O ATOM 0 H GLU A 25 -17.669 12.767 4.577 1.00 0.45 H new ATOM 0 HA GLU A 25 -16.244 11.446 6.772 1.00 0.45 H new ATOM 0 HB2 GLU A 25 -17.666 12.838 8.379 1.00 0.49 H new ATOM 0 HB3 GLU A 25 -16.280 13.636 7.661 1.00 0.49 H new ATOM 0 HG2 GLU A 25 -17.639 14.895 6.159 1.00 0.56 H new ATOM 0 HG3 GLU A 25 -19.042 13.885 6.449 1.00 0.56 H new ATOM 94 N PHE A 26 -18.268 10.047 7.168 1.00 0.43 N ATOM 95 CA PHE A 26 -19.397 9.128 7.287 1.00 0.46 C ATOM 96 C PHE A 26 -19.178 8.184 8.464 1.00 0.45 C ATOM 97 O PHE A 26 -18.047 7.990 8.903 1.00 0.44 O ATOM 98 CB PHE A 26 -19.605 8.330 5.991 1.00 0.47 C ATOM 99 CG PHE A 26 -18.401 7.538 5.545 1.00 0.46 C ATOM 100 CD1 PHE A 26 -17.384 8.142 4.821 1.00 0.51 C ATOM 101 CD2 PHE A 26 -18.290 6.188 5.847 1.00 0.48 C ATOM 102 CE1 PHE A 26 -16.282 7.417 4.412 1.00 0.55 C ATOM 103 CE2 PHE A 26 -17.188 5.459 5.437 1.00 0.49 C ATOM 104 CZ PHE A 26 -16.184 6.076 4.718 1.00 0.51 C ATOM 0 H PHE A 26 -17.427 9.742 7.659 1.00 0.43 H new ATOM 0 HA PHE A 26 -20.298 9.716 7.464 1.00 0.46 H new ATOM 0 HB2 PHE A 26 -20.443 7.647 6.130 1.00 0.47 H new ATOM 0 HB3 PHE A 26 -19.886 9.020 5.195 1.00 0.47 H new ATOM 0 HD1 PHE A 26 -17.455 9.191 4.574 1.00 0.51 H new ATOM 0 HD2 PHE A 26 -19.073 5.701 6.409 1.00 0.48 H new ATOM 0 HE1 PHE A 26 -15.496 7.901 3.852 1.00 0.55 H new ATOM 0 HE2 PHE A 26 -17.113 4.409 5.679 1.00 0.49 H new ATOM 0 HZ PHE A 26 -15.323 5.509 4.396 1.00 0.51 H new ATOM 114 N ARG A 27 -20.255 7.608 8.974 1.00 0.47 N ATOM 115 CA ARG A 27 -20.163 6.699 10.104 1.00 0.47 C ATOM 116 C ARG A 27 -19.844 5.280 9.641 1.00 0.45 C ATOM 117 O ARG A 27 -20.518 4.732 8.763 1.00 0.46 O ATOM 118 CB ARG A 27 -21.464 6.711 10.903 1.00 0.51 C ATOM 119 CG ARG A 27 -21.717 8.021 11.628 1.00 0.55 C ATOM 120 CD ARG A 27 -23.195 8.238 11.890 1.00 0.61 C ATOM 121 NE ARG A 27 -23.940 8.483 10.661 1.00 0.62 N ATOM 122 CZ ARG A 27 -25.161 9.009 10.621 1.00 0.73 C ATOM 123 NH1 ARG A 27 -25.787 9.347 11.744 1.00 0.84 N ATOM 124 NH2 ARG A 27 -25.755 9.189 9.449 1.00 0.77 N ATOM 0 H ARG A 27 -21.202 7.754 8.624 1.00 0.47 H new ATOM 0 HA ARG A 27 -19.350 7.040 10.746 1.00 0.47 H new ATOM 0 HB2 ARG A 27 -22.297 6.511 10.229 1.00 0.51 H new ATOM 0 HB3 ARG A 27 -21.441 5.900 11.631 1.00 0.51 H new ATOM 0 HG2 ARG A 27 -21.175 8.025 12.574 1.00 0.55 H new ATOM 0 HG3 ARG A 27 -21.327 8.847 11.034 1.00 0.55 H new ATOM 0 HD2 ARG A 27 -23.606 7.363 12.394 1.00 0.61 H new ATOM 0 HD3 ARG A 27 -23.323 9.084 12.565 1.00 0.61 H new ATOM 0 HE ARG A 27 -23.497 8.235 9.776 1.00 0.62 H new ATOM 0 HH11 ARG A 27 -25.331 9.204 12.645 1.00 0.84 H new ATOM 0 HH12 ARG A 27 -26.723 9.750 11.705 1.00 0.84 H new ATOM 0 HH21 ARG A 27 -25.276 8.925 8.588 1.00 0.77 H new ATOM 0 HH22 ARG A 27 -26.691 9.592 9.408 1.00 0.77 H new ATOM 138 N ALA A 28 -18.819 4.696 10.241 1.00 0.44 N ATOM 139 CA ALA A 28 -18.389 3.346 9.909 1.00 0.43 C ATOM 140 C ALA A 28 -17.559 2.766 11.047 1.00 0.42 C ATOM 141 O ALA A 28 -16.707 3.449 11.615 1.00 0.44 O ATOM 142 CB ALA A 28 -17.588 3.347 8.616 1.00 0.42 C ATOM 0 H ALA A 28 -18.263 5.143 10.970 1.00 0.44 H new ATOM 0 HA ALA A 28 -19.272 2.723 9.767 1.00 0.43 H new ATOM 0 HB1 ALA A 28 -17.274 2.330 8.382 1.00 0.42 H new ATOM 0 HB2 ALA A 28 -18.207 3.732 7.805 1.00 0.42 H new ATOM 0 HB3 ALA A 28 -16.709 3.980 8.733 1.00 0.42 H new ATOM 148 N GLY A 29 -17.815 1.513 11.378 1.00 0.43 N ATOM 149 CA GLY A 29 -17.087 0.868 12.449 1.00 0.43 C ATOM 150 C GLY A 29 -15.830 0.198 11.944 1.00 0.41 C ATOM 151 O GLY A 29 -15.804 -0.316 10.829 1.00 0.46 O ATOM 0 H GLY A 29 -18.516 0.928 10.923 1.00 0.43 H new ATOM 0 HA2 GLY A 29 -16.827 1.606 13.208 1.00 0.43 H new ATOM 0 HA3 GLY A 29 -17.726 0.128 12.930 1.00 0.43 H new ATOM 155 N LYS A 30 -14.785 0.206 12.755 1.00 0.42 N ATOM 156 CA LYS A 30 -13.526 -0.405 12.367 1.00 0.42 C ATOM 157 C LYS A 30 -13.419 -1.820 12.927 1.00 0.41 C ATOM 158 O LYS A 30 -14.290 -2.273 13.670 1.00 0.45 O ATOM 159 CB LYS A 30 -12.348 0.449 12.846 1.00 0.48 C ATOM 160 CG LYS A 30 -12.081 0.368 14.343 1.00 0.54 C ATOM 161 CD LYS A 30 -10.950 1.294 14.752 1.00 0.67 C ATOM 162 CE LYS A 30 -10.176 0.751 15.945 1.00 0.70 C ATOM 163 NZ LYS A 30 -9.133 1.704 16.408 1.00 0.60 N ATOM 0 H LYS A 30 -14.784 0.628 13.684 1.00 0.42 H new ATOM 0 HA LYS A 30 -13.494 -0.463 11.279 1.00 0.42 H new ATOM 0 HB2 LYS A 30 -11.450 0.140 12.312 1.00 0.48 H new ATOM 0 HB3 LYS A 30 -12.536 1.489 12.578 1.00 0.48 H new ATOM 0 HG2 LYS A 30 -12.986 0.631 14.891 1.00 0.54 H new ATOM 0 HG3 LYS A 30 -11.831 -0.657 14.615 1.00 0.54 H new ATOM 0 HD2 LYS A 30 -10.271 1.431 13.911 1.00 0.67 H new ATOM 0 HD3 LYS A 30 -11.355 2.275 14.998 1.00 0.67 H new ATOM 0 HE2 LYS A 30 -10.867 0.543 16.762 1.00 0.70 H new ATOM 0 HE3 LYS A 30 -9.709 -0.196 15.674 1.00 0.70 H new ATOM 0 HZ1 LYS A 30 -8.262 1.183 16.633 1.00 0.60 H new ATOM 0 HZ2 LYS A 30 -8.938 2.397 15.657 1.00 0.60 H new ATOM 0 HZ3 LYS A 30 -9.469 2.200 17.258 1.00 0.60 H new ATOM 177 N MET A 31 -12.354 -2.514 12.559 1.00 0.43 N ATOM 178 CA MET A 31 -12.128 -3.873 13.026 1.00 0.44 C ATOM 179 C MET A 31 -10.721 -3.998 13.594 1.00 0.46 C ATOM 180 O MET A 31 -9.806 -3.299 13.159 1.00 0.55 O ATOM 181 CB MET A 31 -12.332 -4.883 11.892 1.00 0.46 C ATOM 182 CG MET A 31 -13.682 -4.762 11.199 1.00 0.47 C ATOM 183 SD MET A 31 -14.171 -6.272 10.341 1.00 0.54 S ATOM 184 CE MET A 31 -15.719 -5.749 9.609 1.00 0.61 C ATOM 0 H MET A 31 -11.630 -2.157 11.936 1.00 0.43 H new ATOM 0 HA MET A 31 -12.852 -4.093 13.810 1.00 0.44 H new ATOM 0 HB2 MET A 31 -11.541 -4.751 11.153 1.00 0.46 H new ATOM 0 HB3 MET A 31 -12.229 -5.891 12.293 1.00 0.46 H new ATOM 0 HG2 MET A 31 -14.442 -4.508 11.938 1.00 0.47 H new ATOM 0 HG3 MET A 31 -13.645 -3.940 10.484 1.00 0.47 H new ATOM 0 HE1 MET A 31 -15.980 -6.421 8.791 1.00 0.61 H new ATOM 0 HE2 MET A 31 -16.505 -5.773 10.364 1.00 0.61 H new ATOM 0 HE3 MET A 31 -15.616 -4.734 9.225 1.00 0.61 H new ATOM 194 N SER A 32 -10.554 -4.879 14.567 1.00 0.49 N ATOM 195 CA SER A 32 -9.259 -5.085 15.194 1.00 0.52 C ATOM 196 C SER A 32 -8.796 -6.528 15.012 1.00 0.52 C ATOM 197 O SER A 32 -9.598 -7.463 15.064 1.00 0.54 O ATOM 198 CB SER A 32 -9.334 -4.733 16.685 1.00 0.59 C ATOM 199 OG SER A 32 -9.974 -3.481 16.879 1.00 0.93 O ATOM 0 H SER A 32 -11.301 -5.464 14.940 1.00 0.49 H new ATOM 0 HA SER A 32 -8.533 -4.430 14.713 1.00 0.52 H new ATOM 0 HB2 SER A 32 -9.879 -5.511 17.219 1.00 0.59 H new ATOM 0 HB3 SER A 32 -8.329 -4.701 17.106 1.00 0.59 H new ATOM 0 HG SER A 32 -10.012 -3.278 17.837 1.00 0.93 H new ATOM 205 N LEU A 33 -7.503 -6.701 14.782 1.00 0.54 N ATOM 206 CA LEU A 33 -6.929 -8.024 14.600 1.00 0.56 C ATOM 207 C LEU A 33 -6.532 -8.608 15.950 1.00 0.58 C ATOM 208 O LEU A 33 -5.441 -8.341 16.461 1.00 0.63 O ATOM 209 CB LEU A 33 -5.711 -7.961 13.678 1.00 0.58 C ATOM 210 CG LEU A 33 -5.060 -9.315 13.373 1.00 0.61 C ATOM 211 CD1 LEU A 33 -5.899 -10.103 12.373 1.00 0.62 C ATOM 212 CD2 LEU A 33 -3.645 -9.116 12.849 1.00 0.67 C ATOM 0 H LEU A 33 -6.830 -5.938 14.717 1.00 0.54 H new ATOM 0 HA LEU A 33 -7.678 -8.667 14.138 1.00 0.56 H new ATOM 0 HB2 LEU A 33 -6.009 -7.498 12.737 1.00 0.58 H new ATOM 0 HB3 LEU A 33 -4.964 -7.309 14.131 1.00 0.58 H new ATOM 0 HG LEU A 33 -5.008 -9.889 14.298 1.00 0.61 H new ATOM 0 HD11 LEU A 33 -5.419 -11.061 12.170 1.00 0.62 H new ATOM 0 HD12 LEU A 33 -6.892 -10.275 12.787 1.00 0.62 H new ATOM 0 HD13 LEU A 33 -5.986 -9.537 11.445 1.00 0.62 H new ATOM 0 HD21 LEU A 33 -3.196 -10.086 12.637 1.00 0.67 H new ATOM 0 HD22 LEU A 33 -3.676 -8.523 11.935 1.00 0.67 H new ATOM 0 HD23 LEU A 33 -3.049 -8.596 13.599 1.00 0.67 H new ATOM 224 N LYS A 34 -7.426 -9.390 16.532 1.00 0.59 N ATOM 225 CA LYS A 34 -7.176 -10.004 17.822 1.00 0.63 C ATOM 226 C LYS A 34 -6.542 -11.376 17.634 1.00 0.65 C ATOM 227 O LYS A 34 -7.209 -12.331 17.218 1.00 0.68 O ATOM 228 CB LYS A 34 -8.476 -10.106 18.625 1.00 0.66 C ATOM 229 CG LYS A 34 -9.270 -8.808 18.641 1.00 0.68 C ATOM 230 CD LYS A 34 -10.225 -8.736 19.821 1.00 0.76 C ATOM 231 CE LYS A 34 -10.953 -7.398 19.870 1.00 0.84 C ATOM 232 NZ LYS A 34 -11.613 -7.170 21.181 1.00 1.01 N ATOM 0 H LYS A 34 -8.335 -9.614 16.128 1.00 0.59 H new ATOM 0 HA LYS A 34 -6.481 -9.379 18.383 1.00 0.63 H new ATOM 0 HB2 LYS A 34 -9.095 -10.899 18.204 1.00 0.66 H new ATOM 0 HB3 LYS A 34 -8.242 -10.394 19.650 1.00 0.66 H new ATOM 0 HG2 LYS A 34 -8.582 -7.963 18.680 1.00 0.68 H new ATOM 0 HG3 LYS A 34 -9.834 -8.717 17.713 1.00 0.68 H new ATOM 0 HD2 LYS A 34 -10.952 -9.545 19.751 1.00 0.76 H new ATOM 0 HD3 LYS A 34 -9.671 -8.884 20.748 1.00 0.76 H new ATOM 0 HE2 LYS A 34 -10.244 -6.593 19.676 1.00 0.84 H new ATOM 0 HE3 LYS A 34 -11.700 -7.363 19.077 1.00 0.84 H new ATOM 0 HZ1 LYS A 34 -12.096 -6.249 21.171 1.00 1.01 H new ATOM 0 HZ2 LYS A 34 -12.308 -7.924 21.355 1.00 1.01 H new ATOM 0 HZ3 LYS A 34 -10.898 -7.177 21.936 1.00 1.01 H new ATOM 246 N GLY A 35 -5.246 -11.459 17.919 1.00 0.66 N ATOM 247 CA GLY A 35 -4.518 -12.704 17.774 1.00 0.70 C ATOM 248 C GLY A 35 -4.202 -12.991 16.324 1.00 0.70 C ATOM 249 O GLY A 35 -3.092 -12.731 15.856 1.00 0.75 O ATOM 0 H GLY A 35 -4.683 -10.676 18.251 1.00 0.66 H new ATOM 0 HA2 GLY A 35 -3.592 -12.655 18.347 1.00 0.70 H new ATOM 0 HA3 GLY A 35 -5.107 -13.522 18.189 1.00 0.70 H new ATOM 253 N THR A 36 -5.181 -13.522 15.615 1.00 0.68 N ATOM 254 CA THR A 36 -5.027 -13.831 14.208 1.00 0.70 C ATOM 255 C THR A 36 -6.393 -13.838 13.519 1.00 0.68 C ATOM 256 O THR A 36 -6.536 -14.303 12.387 1.00 0.72 O ATOM 257 CB THR A 36 -4.312 -15.187 14.001 1.00 0.75 C ATOM 258 OG1 THR A 36 -4.005 -15.383 12.615 1.00 0.82 O ATOM 259 CG2 THR A 36 -5.163 -16.344 14.504 1.00 0.77 C ATOM 0 H THR A 36 -6.099 -13.750 15.996 1.00 0.68 H new ATOM 0 HA THR A 36 -4.405 -13.057 13.759 1.00 0.70 H new ATOM 0 HB THR A 36 -3.387 -15.164 14.577 1.00 0.75 H new ATOM 0 HG1 THR A 36 -4.754 -15.070 12.066 1.00 0.82 H new ATOM 0 HG21 THR A 36 -4.632 -17.283 14.344 1.00 0.77 H new ATOM 0 HG22 THR A 36 -5.360 -16.215 15.568 1.00 0.77 H new ATOM 0 HG23 THR A 36 -6.108 -16.364 13.960 1.00 0.77 H new ATOM 267 N THR A 37 -7.392 -13.301 14.209 1.00 0.66 N ATOM 268 CA THR A 37 -8.744 -13.244 13.680 1.00 0.66 C ATOM 269 C THR A 37 -9.271 -11.809 13.706 1.00 0.61 C ATOM 270 O THR A 37 -9.151 -11.111 14.717 1.00 0.61 O ATOM 271 CB THR A 37 -9.687 -14.159 14.486 1.00 0.71 C ATOM 272 OG1 THR A 37 -9.038 -15.414 14.736 1.00 0.79 O ATOM 273 CG2 THR A 37 -10.996 -14.397 13.742 1.00 0.81 C ATOM 0 H THR A 37 -7.288 -12.898 15.140 1.00 0.66 H new ATOM 0 HA THR A 37 -8.714 -13.593 12.648 1.00 0.66 H new ATOM 0 HB THR A 37 -9.919 -13.666 15.430 1.00 0.71 H new ATOM 0 HG1 THR A 37 -9.637 -15.995 15.250 1.00 0.79 H new ATOM 0 HG21 THR A 37 -11.639 -15.046 14.336 1.00 0.81 H new ATOM 0 HG22 THR A 37 -11.498 -13.444 13.574 1.00 0.81 H new ATOM 0 HG23 THR A 37 -10.788 -14.872 12.783 1.00 0.81 H new ATOM 281 N VAL A 38 -9.840 -11.371 12.591 1.00 0.60 N ATOM 282 CA VAL A 38 -10.382 -10.023 12.487 1.00 0.57 C ATOM 283 C VAL A 38 -11.699 -9.923 13.244 1.00 0.57 C ATOM 284 O VAL A 38 -12.668 -10.609 12.922 1.00 0.64 O ATOM 285 CB VAL A 38 -10.598 -9.612 11.016 1.00 0.57 C ATOM 286 CG1 VAL A 38 -11.038 -8.162 10.922 1.00 0.59 C ATOM 287 CG2 VAL A 38 -9.330 -9.837 10.206 1.00 0.61 C ATOM 0 H VAL A 38 -9.938 -11.931 11.744 1.00 0.60 H new ATOM 0 HA VAL A 38 -9.655 -9.342 12.929 1.00 0.57 H new ATOM 0 HB VAL A 38 -11.388 -10.237 10.601 1.00 0.57 H new ATOM 0 HG11 VAL A 38 -11.185 -7.893 9.876 1.00 0.59 H new ATOM 0 HG12 VAL A 38 -11.974 -8.030 11.465 1.00 0.59 H new ATOM 0 HG13 VAL A 38 -10.272 -7.520 11.358 1.00 0.59 H new ATOM 0 HG21 VAL A 38 -9.502 -9.541 9.171 1.00 0.61 H new ATOM 0 HG22 VAL A 38 -8.520 -9.239 10.624 1.00 0.61 H new ATOM 0 HG23 VAL A 38 -9.058 -10.892 10.241 1.00 0.61 H new ATOM 297 N THR A 39 -11.716 -9.082 14.265 1.00 0.56 N ATOM 298 CA THR A 39 -12.902 -8.886 15.078 1.00 0.58 C ATOM 299 C THR A 39 -13.384 -7.441 14.971 1.00 0.55 C ATOM 300 O THR A 39 -12.652 -6.516 15.319 1.00 0.55 O ATOM 301 CB THR A 39 -12.611 -9.222 16.550 1.00 0.64 C ATOM 302 OG1 THR A 39 -11.732 -10.354 16.619 1.00 0.67 O ATOM 303 CG2 THR A 39 -13.899 -9.518 17.304 1.00 0.74 C ATOM 0 H THR A 39 -10.914 -8.520 14.551 1.00 0.56 H new ATOM 0 HA THR A 39 -13.681 -9.554 14.709 1.00 0.58 H new ATOM 0 HB THR A 39 -12.134 -8.360 17.016 1.00 0.64 H new ATOM 0 HG1 THR A 39 -11.545 -10.567 17.557 1.00 0.67 H new ATOM 0 HG21 THR A 39 -13.667 -9.753 18.343 1.00 0.74 H new ATOM 0 HG22 THR A 39 -14.551 -8.646 17.266 1.00 0.74 H new ATOM 0 HG23 THR A 39 -14.403 -10.368 16.844 1.00 0.74 H new ATOM 311 N PRO A 40 -14.600 -7.224 14.449 1.00 0.55 N ATOM 312 CA PRO A 40 -15.168 -5.882 14.302 1.00 0.54 C ATOM 313 C PRO A 40 -15.509 -5.241 15.643 1.00 0.56 C ATOM 314 O PRO A 40 -15.956 -5.918 16.571 1.00 0.63 O ATOM 315 CB PRO A 40 -16.450 -6.106 13.487 1.00 0.56 C ATOM 316 CG PRO A 40 -16.377 -7.506 12.977 1.00 0.65 C ATOM 317 CD PRO A 40 -15.515 -8.260 13.945 1.00 0.58 C ATOM 0 HA PRO A 40 -14.459 -5.204 13.827 1.00 0.54 H new ATOM 0 HB2 PRO A 40 -17.335 -5.963 14.106 1.00 0.56 H new ATOM 0 HB3 PRO A 40 -16.518 -5.395 12.664 1.00 0.56 H new ATOM 0 HG2 PRO A 40 -17.371 -7.949 12.914 1.00 0.65 H new ATOM 0 HG3 PRO A 40 -15.951 -7.533 11.974 1.00 0.65 H new ATOM 0 HD2 PRO A 40 -16.103 -8.704 14.748 1.00 0.58 H new ATOM 0 HD3 PRO A 40 -14.976 -9.072 13.458 1.00 0.58 H new ATOM 325 N ASP A 41 -15.284 -3.939 15.739 1.00 0.53 N ATOM 326 CA ASP A 41 -15.590 -3.201 16.958 1.00 0.56 C ATOM 327 C ASP A 41 -17.090 -2.942 17.016 1.00 0.58 C ATOM 328 O ASP A 41 -17.765 -2.938 15.984 1.00 0.66 O ATOM 329 CB ASP A 41 -14.818 -1.878 16.997 1.00 0.57 C ATOM 330 CG ASP A 41 -14.531 -1.407 18.414 1.00 0.61 C ATOM 331 OD1 ASP A 41 -15.493 -1.159 19.176 1.00 0.64 O ATOM 332 OD2 ASP A 41 -13.337 -1.268 18.772 1.00 0.68 O ATOM 0 H ASP A 41 -14.891 -3.371 14.989 1.00 0.53 H new ATOM 0 HA ASP A 41 -15.287 -3.791 17.823 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -13.877 -1.995 16.460 1.00 0.57 H new ATOM 0 HB3 ASP A 41 -15.390 -1.113 16.473 1.00 0.57 H new ATOM 337 N LYS A 42 -17.615 -2.735 18.212 1.00 0.61 N ATOM 338 CA LYS A 42 -19.043 -2.495 18.379 1.00 0.64 C ATOM 339 C LYS A 42 -19.321 -1.018 18.628 1.00 0.64 C ATOM 340 O LYS A 42 -20.476 -0.603 18.748 1.00 0.76 O ATOM 341 CB LYS A 42 -19.594 -3.332 19.539 1.00 0.71 C ATOM 342 CG LYS A 42 -19.217 -4.805 19.478 1.00 0.72 C ATOM 343 CD LYS A 42 -19.937 -5.604 20.554 1.00 0.84 C ATOM 344 CE LYS A 42 -19.348 -6.995 20.707 1.00 0.90 C ATOM 345 NZ LYS A 42 -18.770 -7.206 22.060 1.00 1.08 N ATOM 0 H LYS A 42 -17.079 -2.728 19.080 1.00 0.61 H new ATOM 0 HA LYS A 42 -19.544 -2.791 17.457 1.00 0.64 H new ATOM 0 HB2 LYS A 42 -19.232 -2.914 20.478 1.00 0.71 H new ATOM 0 HB3 LYS A 42 -20.681 -3.247 19.550 1.00 0.71 H new ATOM 0 HG2 LYS A 42 -19.466 -5.206 18.496 1.00 0.72 H new ATOM 0 HG3 LYS A 42 -18.139 -4.912 19.602 1.00 0.72 H new ATOM 0 HD2 LYS A 42 -19.873 -5.075 21.505 1.00 0.84 H new ATOM 0 HD3 LYS A 42 -20.995 -5.682 20.303 1.00 0.84 H new ATOM 0 HE2 LYS A 42 -20.123 -7.740 20.523 1.00 0.90 H new ATOM 0 HE3 LYS A 42 -18.575 -7.147 19.954 1.00 0.90 H new ATOM 0 HZ1 LYS A 42 -18.378 -8.167 22.124 1.00 1.08 H new ATOM 0 HZ2 LYS A 42 -18.014 -6.512 22.226 1.00 1.08 H new ATOM 0 HZ3 LYS A 42 -19.513 -7.087 22.778 1.00 1.08 H new ATOM 359 N ARG A 43 -18.261 -0.230 18.694 1.00 0.58 N ATOM 360 CA ARG A 43 -18.380 1.197 18.942 1.00 0.58 C ATOM 361 C ARG A 43 -18.754 1.967 17.682 1.00 0.55 C ATOM 362 O ARG A 43 -18.538 1.506 16.559 1.00 0.55 O ATOM 363 CB ARG A 43 -17.066 1.739 19.488 1.00 0.58 C ATOM 364 CG ARG A 43 -16.826 1.411 20.948 1.00 0.60 C ATOM 365 CD ARG A 43 -15.414 1.785 21.361 1.00 0.60 C ATOM 366 NE ARG A 43 -14.421 1.218 20.449 1.00 0.57 N ATOM 367 CZ ARG A 43 -13.347 1.874 20.011 1.00 0.57 C ATOM 368 NH1 ARG A 43 -13.124 3.124 20.392 1.00 0.62 N ATOM 369 NH2 ARG A 43 -12.506 1.280 19.174 1.00 0.57 N ATOM 0 H ARG A 43 -17.302 -0.557 18.578 1.00 0.58 H new ATOM 0 HA ARG A 43 -19.178 1.334 19.672 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -16.244 1.337 18.896 1.00 0.58 H new ATOM 0 HB3 ARG A 43 -17.050 2.822 19.362 1.00 0.58 H new ATOM 0 HG2 ARG A 43 -17.545 1.947 21.568 1.00 0.60 H new ATOM 0 HG3 ARG A 43 -16.989 0.347 21.118 1.00 0.60 H new ATOM 0 HD2 ARG A 43 -15.315 2.870 21.380 1.00 0.60 H new ATOM 0 HD3 ARG A 43 -15.224 1.430 22.374 1.00 0.60 H new ATOM 0 HE ARG A 43 -14.559 0.260 20.128 1.00 0.57 H new ATOM 0 HH11 ARG A 43 -13.776 3.589 21.024 1.00 0.62 H new ATOM 0 HH12 ARG A 43 -12.300 3.621 20.053 1.00 0.62 H new ATOM 0 HH21 ARG A 43 -12.682 0.323 18.867 1.00 0.57 H new ATOM 0 HH22 ARG A 43 -11.683 1.780 18.837 1.00 0.57 H new ATOM 383 N LYS A 44 -19.324 3.142 17.887 1.00 0.57 N ATOM 384 CA LYS A 44 -19.715 4.014 16.793 1.00 0.56 C ATOM 385 C LYS A 44 -18.516 4.849 16.360 1.00 0.53 C ATOM 386 O LYS A 44 -17.901 5.534 17.179 1.00 0.59 O ATOM 387 CB LYS A 44 -20.863 4.931 17.226 1.00 0.62 C ATOM 388 CG LYS A 44 -22.096 4.183 17.709 1.00 0.70 C ATOM 389 CD LYS A 44 -23.197 5.141 18.143 1.00 0.79 C ATOM 390 CE LYS A 44 -24.293 4.416 18.911 1.00 0.93 C ATOM 391 NZ LYS A 44 -25.478 5.281 19.164 1.00 1.07 N ATOM 0 H LYS A 44 -19.528 3.517 18.813 1.00 0.57 H new ATOM 0 HA LYS A 44 -20.056 3.405 15.956 1.00 0.56 H new ATOM 0 HB2 LYS A 44 -20.512 5.586 18.023 1.00 0.62 H new ATOM 0 HB3 LYS A 44 -21.142 5.570 16.388 1.00 0.62 H new ATOM 0 HG2 LYS A 44 -22.467 3.538 16.912 1.00 0.70 H new ATOM 0 HG3 LYS A 44 -21.826 3.536 18.543 1.00 0.70 H new ATOM 0 HD2 LYS A 44 -22.772 5.927 18.767 1.00 0.79 H new ATOM 0 HD3 LYS A 44 -23.625 5.627 17.266 1.00 0.79 H new ATOM 0 HE2 LYS A 44 -24.603 3.535 18.350 1.00 0.93 H new ATOM 0 HE3 LYS A 44 -23.894 4.064 19.862 1.00 0.93 H new ATOM 0 HZ1 LYS A 44 -26.196 4.742 19.689 1.00 1.07 H new ATOM 0 HZ2 LYS A 44 -25.190 6.110 19.722 1.00 1.07 H new ATOM 0 HZ3 LYS A 44 -25.877 5.597 18.257 1.00 1.07 H new ATOM 405 N GLY A 45 -18.181 4.798 15.085 1.00 0.52 N ATOM 406 CA GLY A 45 -17.041 5.546 14.605 1.00 0.51 C ATOM 407 C GLY A 45 -17.350 6.378 13.388 1.00 0.48 C ATOM 408 O GLY A 45 -18.287 6.090 12.643 1.00 0.50 O ATOM 0 H GLY A 45 -18.674 4.256 14.375 1.00 0.52 H new ATOM 0 HA2 GLY A 45 -16.680 6.197 15.401 1.00 0.51 H new ATOM 0 HA3 GLY A 45 -16.233 4.854 14.369 1.00 0.51 H new ATOM 412 N LEU A 46 -16.565 7.420 13.199 1.00 0.46 N ATOM 413 CA LEU A 46 -16.728 8.307 12.066 1.00 0.45 C ATOM 414 C LEU A 46 -15.452 8.347 11.242 1.00 0.41 C ATOM 415 O LEU A 46 -14.395 8.754 11.734 1.00 0.42 O ATOM 416 CB LEU A 46 -17.083 9.722 12.533 1.00 0.47 C ATOM 417 CG LEU A 46 -17.364 10.726 11.410 1.00 0.51 C ATOM 418 CD1 LEU A 46 -18.854 10.807 11.121 1.00 0.56 C ATOM 419 CD2 LEU A 46 -16.818 12.099 11.767 1.00 0.59 C ATOM 0 H LEU A 46 -15.800 7.674 13.824 1.00 0.46 H new ATOM 0 HA LEU A 46 -17.542 7.925 11.450 1.00 0.45 H new ATOM 0 HB2 LEU A 46 -17.961 9.666 13.177 1.00 0.47 H new ATOM 0 HB3 LEU A 46 -16.264 10.103 13.143 1.00 0.47 H new ATOM 0 HG LEU A 46 -16.857 10.377 10.510 1.00 0.51 H new ATOM 0 HD11 LEU A 46 -19.031 11.526 10.321 1.00 0.56 H new ATOM 0 HD12 LEU A 46 -19.219 9.826 10.816 1.00 0.56 H new ATOM 0 HD13 LEU A 46 -19.382 11.127 12.019 1.00 0.56 H new ATOM 0 HD21 LEU A 46 -17.028 12.796 10.956 1.00 0.59 H new ATOM 0 HD22 LEU A 46 -17.293 12.453 12.682 1.00 0.59 H new ATOM 0 HD23 LEU A 46 -15.741 12.034 11.919 1.00 0.59 H new ATOM 431 N VAL A 47 -15.550 7.911 10.002 1.00 0.40 N ATOM 432 CA VAL A 47 -14.416 7.919 9.101 1.00 0.39 C ATOM 433 C VAL A 47 -14.375 9.249 8.374 1.00 0.37 C ATOM 434 O VAL A 47 -15.307 9.586 7.641 1.00 0.40 O ATOM 435 CB VAL A 47 -14.495 6.777 8.065 1.00 0.41 C ATOM 436 CG1 VAL A 47 -13.362 6.886 7.056 1.00 0.57 C ATOM 437 CG2 VAL A 47 -14.456 5.425 8.756 1.00 0.43 C ATOM 0 H VAL A 47 -16.410 7.544 9.594 1.00 0.40 H new ATOM 0 HA VAL A 47 -13.512 7.771 9.693 1.00 0.39 H new ATOM 0 HB VAL A 47 -15.442 6.868 7.532 1.00 0.41 H new ATOM 0 HG11 VAL A 47 -13.437 6.072 6.335 1.00 0.57 H new ATOM 0 HG12 VAL A 47 -13.431 7.840 6.534 1.00 0.57 H new ATOM 0 HG13 VAL A 47 -12.405 6.824 7.575 1.00 0.57 H new ATOM 0 HG21 VAL A 47 -14.513 4.633 8.009 1.00 0.43 H new ATOM 0 HG22 VAL A 47 -13.526 5.329 9.316 1.00 0.43 H new ATOM 0 HG23 VAL A 47 -15.301 5.341 9.439 1.00 0.43 H new ATOM 447 N TYR A 48 -13.323 10.016 8.591 1.00 0.37 N ATOM 448 CA TYR A 48 -13.210 11.307 7.945 1.00 0.37 C ATOM 449 C TYR A 48 -11.839 11.495 7.315 1.00 0.34 C ATOM 450 O TYR A 48 -10.816 11.096 7.874 1.00 0.36 O ATOM 451 CB TYR A 48 -13.523 12.441 8.932 1.00 0.43 C ATOM 452 CG TYR A 48 -12.447 12.711 9.965 1.00 0.44 C ATOM 453 CD1 TYR A 48 -12.434 12.041 11.183 1.00 0.63 C ATOM 454 CD2 TYR A 48 -11.459 13.664 9.731 1.00 0.46 C ATOM 455 CE1 TYR A 48 -11.462 12.306 12.129 1.00 0.73 C ATOM 456 CE2 TYR A 48 -10.491 13.934 10.676 1.00 0.54 C ATOM 457 CZ TYR A 48 -10.499 13.255 11.872 1.00 0.64 C ATOM 458 OH TYR A 48 -9.542 13.529 12.818 1.00 0.78 O ATOM 0 H TYR A 48 -12.544 9.771 9.202 1.00 0.37 H new ATOM 0 HA TYR A 48 -13.947 11.342 7.143 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -13.699 13.356 8.366 1.00 0.43 H new ATOM 0 HB3 TYR A 48 -14.452 12.204 9.451 1.00 0.43 H new ATOM 0 HD1 TYR A 48 -13.194 11.303 11.393 1.00 0.63 H new ATOM 0 HD2 TYR A 48 -11.450 14.201 8.794 1.00 0.46 H new ATOM 0 HE1 TYR A 48 -11.458 11.770 13.067 1.00 0.73 H new ATOM 0 HE2 TYR A 48 -9.731 14.675 10.478 1.00 0.54 H new ATOM 0 HH TYR A 48 -8.937 14.222 12.480 1.00 0.78 H new ATOM 468 N ILE A 49 -11.837 12.081 6.131 1.00 0.33 N ATOM 469 CA ILE A 49 -10.611 12.351 5.405 1.00 0.32 C ATOM 470 C ILE A 49 -10.310 13.841 5.476 1.00 0.30 C ATOM 471 O ILE A 49 -11.086 14.666 4.986 1.00 0.35 O ATOM 472 CB ILE A 49 -10.713 11.897 3.928 1.00 0.37 C ATOM 473 CG1 ILE A 49 -10.781 10.368 3.838 1.00 0.48 C ATOM 474 CG2 ILE A 49 -9.538 12.419 3.118 1.00 0.41 C ATOM 475 CD1 ILE A 49 -12.181 9.804 3.969 1.00 0.69 C ATOM 0 H ILE A 49 -12.683 12.382 5.648 1.00 0.33 H new ATOM 0 HA ILE A 49 -9.802 11.784 5.866 1.00 0.32 H new ATOM 0 HB ILE A 49 -11.630 12.313 3.510 1.00 0.37 H new ATOM 0 HG12 ILE A 49 -10.361 10.052 2.883 1.00 0.48 H new ATOM 0 HG13 ILE A 49 -10.153 9.940 4.620 1.00 0.48 H new ATOM 0 HG21 ILE A 49 -9.632 12.087 2.084 1.00 0.41 H new ATOM 0 HG22 ILE A 49 -9.530 13.509 3.150 1.00 0.41 H new ATOM 0 HG23 ILE A 49 -8.608 12.037 3.538 1.00 0.41 H new ATOM 0 HD11 ILE A 49 -12.144 8.717 3.895 1.00 0.69 H new ATOM 0 HD12 ILE A 49 -12.599 10.088 4.935 1.00 0.69 H new ATOM 0 HD13 ILE A 49 -12.809 10.201 3.172 1.00 0.69 H new ATOM 487 N GLN A 50 -9.196 14.182 6.101 1.00 0.30 N ATOM 488 CA GLN A 50 -8.812 15.574 6.267 1.00 0.33 C ATOM 489 C GLN A 50 -7.506 15.882 5.542 1.00 0.30 C ATOM 490 O GLN A 50 -6.628 15.026 5.423 1.00 0.36 O ATOM 491 CB GLN A 50 -8.687 15.895 7.759 1.00 0.42 C ATOM 492 CG GLN A 50 -8.454 17.365 8.058 1.00 0.51 C ATOM 493 CD GLN A 50 -8.704 17.715 9.511 1.00 0.66 C ATOM 494 OE1 GLN A 50 -8.557 16.879 10.401 1.00 0.82 O ATOM 495 NE2 GLN A 50 -9.085 18.956 9.761 1.00 0.86 N ATOM 0 H GLN A 50 -8.540 13.512 6.503 1.00 0.30 H new ATOM 0 HA GLN A 50 -9.586 16.201 5.825 1.00 0.33 H new ATOM 0 HB2 GLN A 50 -9.595 15.571 8.267 1.00 0.42 H new ATOM 0 HB3 GLN A 50 -7.864 15.315 8.177 1.00 0.42 H new ATOM 0 HG2 GLN A 50 -7.428 17.626 7.797 1.00 0.51 H new ATOM 0 HG3 GLN A 50 -9.107 17.968 7.426 1.00 0.51 H new ATOM 0 HE21 GLN A 50 -9.195 19.620 8.994 1.00 0.86 H new ATOM 0 HE22 GLN A 50 -9.268 19.250 10.720 1.00 0.86 H new ATOM 504 N GLN A 51 -7.400 17.106 5.042 1.00 0.37 N ATOM 505 CA GLN A 51 -6.211 17.558 4.334 1.00 0.37 C ATOM 506 C GLN A 51 -5.595 18.741 5.071 1.00 0.39 C ATOM 507 O GLN A 51 -6.174 19.828 5.113 1.00 0.51 O ATOM 508 CB GLN A 51 -6.573 17.958 2.901 1.00 0.44 C ATOM 509 CG GLN A 51 -5.374 18.334 2.044 1.00 0.52 C ATOM 510 CD GLN A 51 -5.756 19.244 0.894 1.00 0.72 C ATOM 511 OE1 GLN A 51 -6.635 20.092 1.028 1.00 0.91 O ATOM 512 NE2 GLN A 51 -5.107 19.077 -0.247 1.00 0.93 N ATOM 0 H GLN A 51 -8.133 17.811 5.116 1.00 0.37 H new ATOM 0 HA GLN A 51 -5.486 16.745 4.296 1.00 0.37 H new ATOM 0 HB2 GLN A 51 -7.102 17.131 2.426 1.00 0.44 H new ATOM 0 HB3 GLN A 51 -7.263 18.801 2.933 1.00 0.44 H new ATOM 0 HG2 GLN A 51 -4.627 18.829 2.664 1.00 0.52 H new ATOM 0 HG3 GLN A 51 -4.912 17.428 1.651 1.00 0.52 H new ATOM 0 HE21 GLN A 51 -4.383 18.363 -0.322 1.00 0.93 H new ATOM 0 HE22 GLN A 51 -5.331 19.663 -1.052 1.00 0.93 H new ATOM 521 N THR A 52 -4.435 18.525 5.666 1.00 0.38 N ATOM 522 CA THR A 52 -3.754 19.576 6.412 1.00 0.45 C ATOM 523 C THR A 52 -2.867 20.432 5.506 1.00 0.36 C ATOM 524 O THR A 52 -2.868 20.265 4.283 1.00 0.33 O ATOM 525 CB THR A 52 -2.904 18.967 7.542 1.00 0.59 C ATOM 526 OG1 THR A 52 -2.805 17.547 7.359 1.00 0.65 O ATOM 527 CG2 THR A 52 -3.506 19.271 8.908 1.00 0.80 C ATOM 0 H THR A 52 -3.942 17.632 5.649 1.00 0.38 H new ATOM 0 HA THR A 52 -4.522 20.220 6.840 1.00 0.45 H new ATOM 0 HB THR A 52 -1.910 19.413 7.502 1.00 0.59 H new ATOM 0 HG1 THR A 52 -2.344 17.357 6.516 1.00 0.65 H new ATOM 0 HG21 THR A 52 -2.884 18.828 9.686 1.00 0.80 H new ATOM 0 HG22 THR A 52 -3.554 20.350 9.052 1.00 0.80 H new ATOM 0 HG23 THR A 52 -4.511 18.852 8.964 1.00 0.80 H new ATOM 535 N ASP A 53 -2.103 21.343 6.112 1.00 0.40 N ATOM 536 CA ASP A 53 -1.205 22.224 5.360 1.00 0.41 C ATOM 537 C ASP A 53 -0.019 21.437 4.822 1.00 0.39 C ATOM 538 O ASP A 53 0.721 21.910 3.959 1.00 0.52 O ATOM 539 CB ASP A 53 -0.710 23.381 6.235 1.00 0.52 C ATOM 540 CG ASP A 53 0.335 22.951 7.250 1.00 0.62 C ATOM 541 OD1 ASP A 53 0.025 22.083 8.095 1.00 0.77 O ATOM 542 OD2 ASP A 53 1.468 23.483 7.213 1.00 0.74 O ATOM 0 H ASP A 53 -2.088 21.491 7.121 1.00 0.40 H new ATOM 0 HA ASP A 53 -1.766 22.640 4.523 1.00 0.41 H new ATOM 0 HB2 ASP A 53 -0.290 24.159 5.597 1.00 0.52 H new ATOM 0 HB3 ASP A 53 -1.558 23.822 6.759 1.00 0.52 H new ATOM 547 N ASP A 54 0.145 20.223 5.328 1.00 0.42 N ATOM 548 CA ASP A 54 1.224 19.346 4.894 1.00 0.55 C ATOM 549 C ASP A 54 0.922 18.806 3.503 1.00 0.45 C ATOM 550 O ASP A 54 1.770 18.171 2.870 1.00 0.52 O ATOM 551 CB ASP A 54 1.431 18.192 5.890 1.00 0.73 C ATOM 552 CG ASP A 54 0.192 17.331 6.124 1.00 0.74 C ATOM 553 OD1 ASP A 54 -0.875 17.620 5.539 1.00 0.65 O ATOM 554 OD2 ASP A 54 0.279 16.361 6.913 1.00 1.10 O ATOM 0 H ASP A 54 -0.460 19.821 6.044 1.00 0.42 H new ATOM 0 HA ASP A 54 2.148 19.923 4.858 1.00 0.55 H new ATOM 0 HB2 ASP A 54 2.238 17.555 5.527 1.00 0.73 H new ATOM 0 HB3 ASP A 54 1.756 18.606 6.844 1.00 0.73 H new ATOM 559 N SER A 55 -0.300 19.082 3.039 1.00 0.36 N ATOM 560 CA SER A 55 -0.775 18.655 1.729 1.00 0.40 C ATOM 561 C SER A 55 -0.878 17.137 1.665 1.00 0.37 C ATOM 562 O SER A 55 -0.844 16.540 0.588 1.00 0.52 O ATOM 563 CB SER A 55 0.141 19.187 0.622 1.00 0.57 C ATOM 564 OG SER A 55 0.370 20.583 0.781 1.00 0.66 O ATOM 0 H SER A 55 -0.990 19.613 3.570 1.00 0.36 H new ATOM 0 HA SER A 55 -1.771 19.070 1.573 1.00 0.40 H new ATOM 0 HB2 SER A 55 1.091 18.654 0.643 1.00 0.57 H new ATOM 0 HB3 SER A 55 -0.310 18.997 -0.352 1.00 0.57 H new ATOM 0 HG SER A 55 0.958 20.902 0.065 1.00 0.66 H new ATOM 570 N LEU A 56 -1.021 16.524 2.831 1.00 0.28 N ATOM 571 CA LEU A 56 -1.128 15.083 2.928 1.00 0.31 C ATOM 572 C LEU A 56 -2.546 14.679 3.304 1.00 0.27 C ATOM 573 O LEU A 56 -3.140 15.244 4.227 1.00 0.30 O ATOM 574 CB LEU A 56 -0.139 14.556 3.967 1.00 0.38 C ATOM 575 CG LEU A 56 1.332 14.859 3.678 1.00 0.40 C ATOM 576 CD1 LEU A 56 2.211 14.380 4.817 1.00 0.49 C ATOM 577 CD2 LEU A 56 1.759 14.208 2.377 1.00 0.48 C ATOM 0 H LEU A 56 -1.065 17.010 3.727 1.00 0.28 H new ATOM 0 HA LEU A 56 -0.890 14.649 1.957 1.00 0.31 H new ATOM 0 HB2 LEU A 56 -0.397 14.979 4.938 1.00 0.38 H new ATOM 0 HB3 LEU A 56 -0.262 13.476 4.047 1.00 0.38 H new ATOM 0 HG LEU A 56 1.447 15.939 3.584 1.00 0.40 H new ATOM 0 HD11 LEU A 56 3.253 14.605 4.592 1.00 0.49 H new ATOM 0 HD12 LEU A 56 1.921 14.886 5.738 1.00 0.49 H new ATOM 0 HD13 LEU A 56 2.091 13.304 4.941 1.00 0.49 H new ATOM 0 HD21 LEU A 56 2.808 14.433 2.185 1.00 0.48 H new ATOM 0 HD22 LEU A 56 1.626 13.129 2.450 1.00 0.48 H new ATOM 0 HD23 LEU A 56 1.150 14.594 1.560 1.00 0.48 H new ATOM 589 N ILE A 57 -3.090 13.716 2.579 1.00 0.27 N ATOM 590 CA ILE A 57 -4.430 13.219 2.844 1.00 0.26 C ATOM 591 C ILE A 57 -4.405 12.331 4.081 1.00 0.24 C ATOM 592 O ILE A 57 -3.735 11.299 4.099 1.00 0.29 O ATOM 593 CB ILE A 57 -4.981 12.428 1.633 1.00 0.30 C ATOM 594 CG1 ILE A 57 -5.142 13.346 0.415 1.00 0.45 C ATOM 595 CG2 ILE A 57 -6.304 11.765 1.978 1.00 0.35 C ATOM 596 CD1 ILE A 57 -6.073 14.519 0.649 1.00 0.57 C ATOM 0 H ILE A 57 -2.620 13.260 1.797 1.00 0.27 H new ATOM 0 HA ILE A 57 -5.089 14.070 3.016 1.00 0.26 H new ATOM 0 HB ILE A 57 -4.262 11.647 1.383 1.00 0.30 H new ATOM 0 HG12 ILE A 57 -4.162 13.725 0.126 1.00 0.45 H new ATOM 0 HG13 ILE A 57 -5.517 12.759 -0.423 1.00 0.45 H new ATOM 0 HG21 ILE A 57 -6.672 11.215 1.112 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -6.160 11.077 2.811 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -7.031 12.527 2.259 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -6.135 15.121 -0.258 1.00 0.57 H new ATOM 0 HD12 ILE A 57 -7.065 14.150 0.908 1.00 0.57 H new ATOM 0 HD13 ILE A 57 -5.689 15.131 1.465 1.00 0.57 H new ATOM 608 N HIS A 58 -5.110 12.743 5.122 1.00 0.25 N ATOM 609 CA HIS A 58 -5.145 11.981 6.357 1.00 0.27 C ATOM 610 C HIS A 58 -6.447 11.210 6.507 1.00 0.27 C ATOM 611 O HIS A 58 -7.536 11.784 6.472 1.00 0.33 O ATOM 612 CB HIS A 58 -4.945 12.903 7.564 1.00 0.32 C ATOM 613 CG HIS A 58 -3.522 13.314 7.786 1.00 0.39 C ATOM 614 ND1 HIS A 58 -2.744 12.811 8.806 1.00 0.51 N ATOM 615 CD2 HIS A 58 -2.740 14.197 7.117 1.00 0.48 C ATOM 616 CE1 HIS A 58 -1.544 13.368 8.757 1.00 0.61 C ATOM 617 NE2 HIS A 58 -1.520 14.215 7.743 1.00 0.59 N ATOM 0 H HIS A 58 -5.664 13.599 5.136 1.00 0.25 H new ATOM 0 HA HIS A 58 -4.329 11.260 6.315 1.00 0.27 H new ATOM 0 HB2 HIS A 58 -5.554 13.797 7.431 1.00 0.32 H new ATOM 0 HB3 HIS A 58 -5.311 12.399 8.458 1.00 0.32 H new ATOM 0 HD2 HIS A 58 -3.025 14.778 6.252 1.00 0.48 H new ATOM 0 HE1 HIS A 58 -0.725 13.165 9.431 1.00 0.61 H new ATOM 0 HE2 HIS A 58 -0.723 14.790 7.470 1.00 0.59 H new ATOM 626 N PHE A 59 -6.311 9.904 6.644 1.00 0.27 N ATOM 627 CA PHE A 59 -7.439 9.009 6.842 1.00 0.28 C ATOM 628 C PHE A 59 -7.545 8.724 8.329 1.00 0.31 C ATOM 629 O PHE A 59 -6.776 7.923 8.867 1.00 0.36 O ATOM 630 CB PHE A 59 -7.213 7.710 6.060 1.00 0.31 C ATOM 631 CG PHE A 59 -8.441 6.865 5.876 1.00 0.45 C ATOM 632 CD1 PHE A 59 -9.329 7.129 4.846 1.00 0.69 C ATOM 633 CD2 PHE A 59 -8.697 5.797 6.723 1.00 0.63 C ATOM 634 CE1 PHE A 59 -10.449 6.340 4.663 1.00 0.92 C ATOM 635 CE2 PHE A 59 -9.815 5.006 6.543 1.00 0.84 C ATOM 636 CZ PHE A 59 -10.693 5.280 5.513 1.00 0.94 C ATOM 0 H PHE A 59 -5.408 9.430 6.621 1.00 0.27 H new ATOM 0 HA PHE A 59 -8.362 9.463 6.481 1.00 0.28 H new ATOM 0 HB2 PHE A 59 -6.810 7.959 5.078 1.00 0.31 H new ATOM 0 HB3 PHE A 59 -6.456 7.119 6.575 1.00 0.31 H new ATOM 0 HD1 PHE A 59 -9.144 7.959 4.180 1.00 0.69 H new ATOM 0 HD2 PHE A 59 -8.015 5.581 7.532 1.00 0.63 H new ATOM 0 HE1 PHE A 59 -11.133 6.553 3.855 1.00 0.92 H new ATOM 0 HE2 PHE A 59 -10.002 4.175 7.207 1.00 0.84 H new ATOM 0 HZ PHE A 59 -11.570 4.665 5.373 1.00 0.94 H new ATOM 646 N CYS A 60 -8.470 9.389 8.999 1.00 0.33 N ATOM 647 CA CYS A 60 -8.609 9.225 10.434 1.00 0.38 C ATOM 648 C CYS A 60 -9.960 8.635 10.835 1.00 0.38 C ATOM 649 O CYS A 60 -10.995 8.928 10.230 1.00 0.40 O ATOM 650 CB CYS A 60 -8.416 10.576 11.129 1.00 0.43 C ATOM 651 SG CYS A 60 -7.367 11.740 10.225 1.00 0.46 S ATOM 0 H CYS A 60 -9.130 10.042 8.577 1.00 0.33 H new ATOM 0 HA CYS A 60 -7.841 8.519 10.750 1.00 0.38 H new ATOM 0 HB2 CYS A 60 -9.393 11.033 11.286 1.00 0.43 H new ATOM 0 HB3 CYS A 60 -7.982 10.405 12.114 1.00 0.43 H new ATOM 0 HG CYS A 60 -6.149 11.664 10.672 1.00 0.46 H new ATOM 657 N TRP A 61 -9.921 7.800 11.861 1.00 0.39 N ATOM 658 CA TRP A 61 -11.116 7.178 12.410 1.00 0.39 C ATOM 659 C TRP A 61 -11.393 7.808 13.767 1.00 0.42 C ATOM 660 O TRP A 61 -10.579 7.697 14.689 1.00 0.45 O ATOM 661 CB TRP A 61 -10.928 5.662 12.559 1.00 0.40 C ATOM 662 CG TRP A 61 -12.199 4.926 12.873 1.00 0.41 C ATOM 663 CD1 TRP A 61 -13.135 4.490 11.984 1.00 0.43 C ATOM 664 CD2 TRP A 61 -12.671 4.536 14.168 1.00 0.43 C ATOM 665 NE1 TRP A 61 -14.158 3.856 12.644 1.00 0.45 N ATOM 666 CE2 TRP A 61 -13.895 3.868 13.986 1.00 0.45 C ATOM 667 CE3 TRP A 61 -12.172 4.685 15.466 1.00 0.46 C ATOM 668 CZ2 TRP A 61 -14.626 3.349 15.051 1.00 0.49 C ATOM 669 CZ3 TRP A 61 -12.899 4.174 16.521 1.00 0.51 C ATOM 670 CH2 TRP A 61 -14.114 3.511 16.311 1.00 0.52 C ATOM 0 H TRP A 61 -9.059 7.534 12.337 1.00 0.39 H new ATOM 0 HA TRP A 61 -11.957 7.339 11.735 1.00 0.39 H new ATOM 0 HB2 TRP A 61 -10.506 5.264 11.636 1.00 0.40 H new ATOM 0 HB3 TRP A 61 -10.202 5.470 13.349 1.00 0.40 H new ATOM 0 HD1 TRP A 61 -13.080 4.624 10.914 1.00 0.43 H new ATOM 0 HE1 TRP A 61 -14.981 3.443 12.205 1.00 0.45 H new ATOM 0 HE3 TRP A 61 -11.234 5.191 15.639 1.00 0.46 H new ATOM 0 HZ2 TRP A 61 -15.563 2.837 14.890 1.00 0.49 H new ATOM 0 HZ3 TRP A 61 -12.524 4.287 17.527 1.00 0.51 H new ATOM 0 HH2 TRP A 61 -14.658 3.120 17.158 1.00 0.52 H new ATOM 681 N LYS A 62 -12.523 8.482 13.886 1.00 0.46 N ATOM 682 CA LYS A 62 -12.869 9.153 15.127 1.00 0.50 C ATOM 683 C LYS A 62 -13.931 8.399 15.910 1.00 0.51 C ATOM 684 O LYS A 62 -14.955 7.991 15.362 1.00 0.51 O ATOM 685 CB LYS A 62 -13.369 10.567 14.835 1.00 0.57 C ATOM 686 CG LYS A 62 -13.181 11.529 15.996 1.00 0.63 C ATOM 687 CD LYS A 62 -13.698 12.921 15.661 1.00 0.75 C ATOM 688 CE LYS A 62 -13.536 13.872 16.832 1.00 0.93 C ATOM 689 NZ LYS A 62 -14.080 15.220 16.527 1.00 1.04 N ATOM 0 H LYS A 62 -13.214 8.579 13.142 1.00 0.46 H new ATOM 0 HA LYS A 62 -11.965 9.190 15.735 1.00 0.50 H new ATOM 0 HB2 LYS A 62 -12.844 10.956 13.963 1.00 0.57 H new ATOM 0 HB3 LYS A 62 -14.427 10.524 14.577 1.00 0.57 H new ATOM 0 HG2 LYS A 62 -13.704 11.148 16.873 1.00 0.63 H new ATOM 0 HG3 LYS A 62 -12.124 11.586 16.255 1.00 0.63 H new ATOM 0 HD2 LYS A 62 -13.160 13.312 14.797 1.00 0.75 H new ATOM 0 HD3 LYS A 62 -14.750 12.862 15.382 1.00 0.75 H new ATOM 0 HE2 LYS A 62 -14.045 13.464 17.705 1.00 0.93 H new ATOM 0 HE3 LYS A 62 -12.480 13.956 17.089 1.00 0.93 H new ATOM 0 HZ1 LYS A 62 -13.951 15.841 17.351 1.00 1.04 H new ATOM 0 HZ2 LYS A 62 -13.577 15.620 15.709 1.00 1.04 H new ATOM 0 HZ3 LYS A 62 -15.093 15.144 16.307 1.00 1.04 H new ATOM 703 N ASP A 63 -13.672 8.215 17.196 1.00 0.53 N ATOM 704 CA ASP A 63 -14.622 7.563 18.084 1.00 0.55 C ATOM 705 C ASP A 63 -15.757 8.545 18.357 1.00 0.57 C ATOM 706 O ASP A 63 -15.510 9.681 18.755 1.00 0.62 O ATOM 707 CB ASP A 63 -13.925 7.142 19.383 1.00 0.61 C ATOM 708 CG ASP A 63 -14.870 6.542 20.399 1.00 0.65 C ATOM 709 OD1 ASP A 63 -15.437 7.305 21.206 1.00 0.92 O ATOM 710 OD2 ASP A 63 -15.037 5.305 20.417 1.00 1.09 O ATOM 0 H ASP A 63 -12.807 8.510 17.649 1.00 0.53 H new ATOM 0 HA ASP A 63 -15.024 6.660 17.625 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -13.144 6.418 19.150 1.00 0.61 H new ATOM 0 HB3 ASP A 63 -13.434 8.010 19.822 1.00 0.61 H new ATOM 715 N ARG A 64 -16.992 8.123 18.134 1.00 0.58 N ATOM 716 CA ARG A 64 -18.144 9.012 18.304 1.00 0.61 C ATOM 717 C ARG A 64 -18.601 9.152 19.756 1.00 0.66 C ATOM 718 O ARG A 64 -19.641 9.757 20.021 1.00 0.75 O ATOM 719 CB ARG A 64 -19.309 8.533 17.439 1.00 0.63 C ATOM 720 CG ARG A 64 -19.038 8.630 15.947 1.00 0.63 C ATOM 721 CD ARG A 64 -20.318 8.488 15.146 1.00 0.65 C ATOM 722 NE ARG A 64 -21.263 9.563 15.441 1.00 0.78 N ATOM 723 CZ ARG A 64 -22.577 9.391 15.594 1.00 0.91 C ATOM 724 NH1 ARG A 64 -23.121 8.186 15.469 1.00 0.99 N ATOM 725 NH2 ARG A 64 -23.347 10.430 15.884 1.00 1.14 N ATOM 0 H ARG A 64 -17.228 7.176 17.836 1.00 0.58 H new ATOM 0 HA ARG A 64 -17.816 10.001 17.984 1.00 0.61 H new ATOM 0 HB2 ARG A 64 -19.537 7.498 17.692 1.00 0.63 H new ATOM 0 HB3 ARG A 64 -20.195 9.122 17.678 1.00 0.63 H new ATOM 0 HG2 ARG A 64 -18.569 9.588 15.722 1.00 0.63 H new ATOM 0 HG3 ARG A 64 -18.333 7.853 15.652 1.00 0.63 H new ATOM 0 HD2 ARG A 64 -20.083 8.492 14.082 1.00 0.65 H new ATOM 0 HD3 ARG A 64 -20.781 7.526 15.367 1.00 0.65 H new ATOM 0 HE ARG A 64 -20.893 10.509 15.536 1.00 0.78 H new ATOM 0 HH11 ARG A 64 -22.533 7.381 15.254 1.00 0.99 H new ATOM 0 HH12 ARG A 64 -24.127 8.066 15.588 1.00 0.99 H new ATOM 0 HH21 ARG A 64 -22.934 11.357 15.989 1.00 1.14 H new ATOM 0 HH22 ARG A 64 -24.352 10.303 16.002 1.00 1.14 H new ATOM 739 N THR A 65 -17.840 8.620 20.695 1.00 0.68 N ATOM 740 CA THR A 65 -18.208 8.722 22.099 1.00 0.74 C ATOM 741 C THR A 65 -17.243 9.629 22.860 1.00 0.75 C ATOM 742 O THR A 65 -17.659 10.560 23.549 1.00 0.83 O ATOM 743 CB THR A 65 -18.243 7.334 22.756 1.00 0.76 C ATOM 744 OG1 THR A 65 -18.873 6.401 21.872 1.00 0.88 O ATOM 745 CG2 THR A 65 -19.002 7.375 24.068 1.00 0.93 C ATOM 0 H THR A 65 -16.971 8.117 20.516 1.00 0.68 H new ATOM 0 HA THR A 65 -19.205 9.161 22.144 1.00 0.74 H new ATOM 0 HB THR A 65 -17.218 7.023 22.957 1.00 0.76 H new ATOM 0 HG1 THR A 65 -18.893 5.515 22.291 1.00 0.88 H new ATOM 0 HG21 THR A 65 -19.013 6.380 24.513 1.00 0.93 H new ATOM 0 HG22 THR A 65 -18.514 8.072 24.749 1.00 0.93 H new ATOM 0 HG23 THR A 65 -20.026 7.702 23.886 1.00 0.93 H new ATOM 753 N SER A 66 -15.958 9.354 22.724 1.00 0.71 N ATOM 754 CA SER A 66 -14.932 10.131 23.398 1.00 0.75 C ATOM 755 C SER A 66 -14.434 11.261 22.504 1.00 0.73 C ATOM 756 O SER A 66 -14.125 12.357 22.975 1.00 0.79 O ATOM 757 CB SER A 66 -13.772 9.220 23.798 1.00 0.75 C ATOM 758 OG SER A 66 -13.389 8.375 22.720 1.00 0.75 O ATOM 0 H SER A 66 -15.598 8.593 22.149 1.00 0.71 H new ATOM 0 HA SER A 66 -15.364 10.574 24.295 1.00 0.75 H new ATOM 0 HB2 SER A 66 -12.921 9.825 24.110 1.00 0.75 H new ATOM 0 HB3 SER A 66 -14.062 8.612 24.655 1.00 0.75 H new ATOM 0 HG SER A 66 -12.644 7.803 23.001 1.00 0.75 H new ATOM 764 N GLY A 67 -14.382 10.989 21.206 1.00 0.67 N ATOM 765 CA GLY A 67 -13.912 11.979 20.260 1.00 0.67 C ATOM 766 C GLY A 67 -12.445 11.804 19.949 1.00 0.65 C ATOM 767 O GLY A 67 -11.836 12.640 19.283 1.00 0.70 O ATOM 0 H GLY A 67 -14.658 10.098 20.792 1.00 0.67 H new ATOM 0 HA2 GLY A 67 -14.490 11.905 19.339 1.00 0.67 H new ATOM 0 HA3 GLY A 67 -14.082 12.977 20.664 1.00 0.67 H new ATOM 771 N ASN A 68 -11.880 10.707 20.427 1.00 0.63 N ATOM 772 CA ASN A 68 -10.471 10.420 20.208 1.00 0.63 C ATOM 773 C ASN A 68 -10.238 9.902 18.799 1.00 0.58 C ATOM 774 O ASN A 68 -11.054 9.148 18.261 1.00 0.58 O ATOM 775 CB ASN A 68 -9.968 9.375 21.209 1.00 0.68 C ATOM 776 CG ASN A 68 -9.874 9.891 22.632 1.00 0.85 C ATOM 777 OD1 ASN A 68 -9.643 11.078 22.872 1.00 1.01 O ATOM 778 ND2 ASN A 68 -10.056 8.994 23.586 1.00 1.01 N ATOM 0 H ASN A 68 -12.376 10.000 20.970 1.00 0.63 H new ATOM 0 HA ASN A 68 -9.922 11.351 20.347 1.00 0.63 H new ATOM 0 HB2 ASN A 68 -10.635 8.513 21.188 1.00 0.68 H new ATOM 0 HB3 ASN A 68 -8.985 9.025 20.893 1.00 0.68 H new ATOM 0 HD21 ASN A 68 -10.008 9.274 24.566 1.00 1.01 H new ATOM 0 HD22 ASN A 68 -10.245 8.022 23.342 1.00 1.01 H new ATOM 785 N VAL A 69 -9.136 10.320 18.202 1.00 0.56 N ATOM 786 CA VAL A 69 -8.772 9.871 16.870 1.00 0.53 C ATOM 787 C VAL A 69 -7.864 8.655 17.001 1.00 0.51 C ATOM 788 O VAL A 69 -6.640 8.775 17.015 1.00 0.59 O ATOM 789 CB VAL A 69 -8.057 10.980 16.065 1.00 0.57 C ATOM 790 CG1 VAL A 69 -7.854 10.557 14.621 1.00 0.60 C ATOM 791 CG2 VAL A 69 -8.839 12.283 16.137 1.00 0.63 C ATOM 0 H VAL A 69 -8.474 10.973 18.621 1.00 0.56 H new ATOM 0 HA VAL A 69 -9.681 9.614 16.327 1.00 0.53 H new ATOM 0 HB VAL A 69 -7.076 11.143 16.511 1.00 0.57 H new ATOM 0 HG11 VAL A 69 -7.349 11.354 14.076 1.00 0.60 H new ATOM 0 HG12 VAL A 69 -7.245 9.653 14.589 1.00 0.60 H new ATOM 0 HG13 VAL A 69 -8.822 10.359 14.160 1.00 0.60 H new ATOM 0 HG21 VAL A 69 -8.320 13.051 15.564 1.00 0.63 H new ATOM 0 HG22 VAL A 69 -9.836 12.133 15.722 1.00 0.63 H new ATOM 0 HG23 VAL A 69 -8.923 12.600 17.176 1.00 0.63 H new ATOM 801 N GLU A 70 -8.483 7.488 17.133 1.00 0.49 N ATOM 802 CA GLU A 70 -7.758 6.233 17.320 1.00 0.51 C ATOM 803 C GLU A 70 -6.792 5.936 16.179 1.00 0.50 C ATOM 804 O GLU A 70 -5.629 5.610 16.415 1.00 0.62 O ATOM 805 CB GLU A 70 -8.741 5.072 17.463 1.00 0.55 C ATOM 806 CG GLU A 70 -9.730 5.247 18.602 1.00 0.81 C ATOM 807 CD GLU A 70 -10.253 3.929 19.134 1.00 0.68 C ATOM 808 OE1 GLU A 70 -10.453 2.988 18.337 1.00 0.69 O ATOM 809 OE2 GLU A 70 -10.473 3.826 20.361 1.00 0.71 O ATOM 0 H GLU A 70 -9.497 7.383 17.114 1.00 0.49 H new ATOM 0 HA GLU A 70 -7.170 6.345 18.231 1.00 0.51 H new ATOM 0 HB2 GLU A 70 -9.292 4.957 16.530 1.00 0.55 H new ATOM 0 HB3 GLU A 70 -8.181 4.150 17.618 1.00 0.55 H new ATOM 0 HG2 GLU A 70 -9.250 5.796 19.412 1.00 0.81 H new ATOM 0 HG3 GLU A 70 -10.568 5.853 18.259 1.00 0.81 H new ATOM 816 N ASP A 71 -7.272 6.055 14.951 1.00 0.47 N ATOM 817 CA ASP A 71 -6.447 5.767 13.786 1.00 0.46 C ATOM 818 C ASP A 71 -6.300 6.988 12.894 1.00 0.43 C ATOM 819 O ASP A 71 -7.239 7.767 12.736 1.00 0.46 O ATOM 820 CB ASP A 71 -7.044 4.609 12.976 1.00 0.51 C ATOM 821 CG ASP A 71 -7.122 3.318 13.765 1.00 0.57 C ATOM 822 OD1 ASP A 71 -6.091 2.619 13.884 1.00 0.73 O ATOM 823 OD2 ASP A 71 -8.217 2.982 14.267 1.00 0.61 O ATOM 0 H ASP A 71 -8.225 6.348 14.735 1.00 0.47 H new ATOM 0 HA ASP A 71 -5.459 5.483 14.149 1.00 0.46 H new ATOM 0 HB2 ASP A 71 -8.044 4.885 12.640 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -6.440 4.447 12.083 1.00 0.51 H new ATOM 828 N ASP A 72 -5.113 7.143 12.326 1.00 0.43 N ATOM 829 CA ASP A 72 -4.805 8.246 11.424 1.00 0.42 C ATOM 830 C ASP A 72 -3.640 7.853 10.529 1.00 0.42 C ATOM 831 O ASP A 72 -2.511 7.701 10.994 1.00 0.52 O ATOM 832 CB ASP A 72 -4.460 9.529 12.195 1.00 0.48 C ATOM 833 CG ASP A 72 -3.796 10.577 11.314 1.00 0.59 C ATOM 834 OD1 ASP A 72 -4.506 11.267 10.557 1.00 0.99 O ATOM 835 OD2 ASP A 72 -2.556 10.725 11.382 1.00 1.05 O ATOM 0 H ASP A 72 -4.332 6.505 12.478 1.00 0.43 H new ATOM 0 HA ASP A 72 -5.689 8.450 10.820 1.00 0.42 H new ATOM 0 HB2 ASP A 72 -5.370 9.946 12.627 1.00 0.48 H new ATOM 0 HB3 ASP A 72 -3.797 9.283 13.025 1.00 0.48 H new ATOM 840 N LEU A 73 -3.918 7.661 9.253 1.00 0.36 N ATOM 841 CA LEU A 73 -2.885 7.277 8.303 1.00 0.38 C ATOM 842 C LEU A 73 -2.830 8.248 7.135 1.00 0.34 C ATOM 843 O LEU A 73 -3.831 8.869 6.781 1.00 0.42 O ATOM 844 CB LEU A 73 -3.131 5.855 7.789 1.00 0.44 C ATOM 845 CG LEU A 73 -3.002 4.748 8.839 1.00 0.66 C ATOM 846 CD1 LEU A 73 -3.418 3.409 8.257 1.00 0.93 C ATOM 847 CD2 LEU A 73 -1.575 4.670 9.364 1.00 0.92 C ATOM 0 H LEU A 73 -4.849 7.764 8.849 1.00 0.36 H new ATOM 0 HA LEU A 73 -1.927 7.306 8.821 1.00 0.38 H new ATOM 0 HB2 LEU A 73 -4.131 5.810 7.359 1.00 0.44 H new ATOM 0 HB3 LEU A 73 -2.427 5.651 6.982 1.00 0.44 H new ATOM 0 HG LEU A 73 -3.666 4.989 9.669 1.00 0.66 H new ATOM 0 HD11 LEU A 73 -3.319 2.635 9.018 1.00 0.93 H new ATOM 0 HD12 LEU A 73 -4.455 3.463 7.926 1.00 0.93 H new ATOM 0 HD13 LEU A 73 -2.778 3.167 7.408 1.00 0.93 H new ATOM 0 HD21 LEU A 73 -1.504 3.877 10.109 1.00 0.92 H new ATOM 0 HD22 LEU A 73 -0.895 4.455 8.540 1.00 0.92 H new ATOM 0 HD23 LEU A 73 -1.303 5.622 9.820 1.00 0.92 H new ATOM 859 N ILE A 74 -1.652 8.382 6.553 1.00 0.29 N ATOM 860 CA ILE A 74 -1.456 9.267 5.419 1.00 0.28 C ATOM 861 C ILE A 74 -1.679 8.496 4.125 1.00 0.30 C ATOM 862 O ILE A 74 -0.957 7.549 3.821 1.00 0.51 O ATOM 863 CB ILE A 74 -0.048 9.889 5.424 1.00 0.30 C ATOM 864 CG1 ILE A 74 0.392 10.213 6.859 1.00 0.43 C ATOM 865 CG2 ILE A 74 -0.039 11.146 4.572 1.00 0.33 C ATOM 866 CD1 ILE A 74 1.845 10.621 6.973 1.00 0.59 C ATOM 0 H ILE A 74 -0.812 7.886 6.849 1.00 0.29 H new ATOM 0 HA ILE A 74 -2.179 10.079 5.494 1.00 0.28 H new ATOM 0 HB ILE A 74 0.656 9.171 5.005 1.00 0.30 H new ATOM 0 HG12 ILE A 74 -0.233 11.016 7.249 1.00 0.43 H new ATOM 0 HG13 ILE A 74 0.219 9.340 7.488 1.00 0.43 H new ATOM 0 HG21 ILE A 74 0.960 11.583 4.579 1.00 0.33 H new ATOM 0 HG22 ILE A 74 -0.318 10.894 3.549 1.00 0.33 H new ATOM 0 HG23 ILE A 74 -0.752 11.865 4.976 1.00 0.33 H new ATOM 0 HD11 ILE A 74 2.082 10.834 8.015 1.00 0.59 H new ATOM 0 HD12 ILE A 74 2.480 9.810 6.615 1.00 0.59 H new ATOM 0 HD13 ILE A 74 2.021 11.513 6.371 1.00 0.59 H new ATOM 878 N ILE A 75 -2.685 8.901 3.372 1.00 0.24 N ATOM 879 CA ILE A 75 -3.031 8.228 2.131 1.00 0.23 C ATOM 880 C ILE A 75 -2.341 8.854 0.920 1.00 0.24 C ATOM 881 O ILE A 75 -2.234 10.075 0.812 1.00 0.26 O ATOM 882 CB ILE A 75 -4.556 8.245 1.907 1.00 0.27 C ATOM 883 CG1 ILE A 75 -5.288 7.701 3.140 1.00 0.28 C ATOM 884 CG2 ILE A 75 -4.917 7.436 0.674 1.00 0.32 C ATOM 885 CD1 ILE A 75 -4.981 6.248 3.454 1.00 0.31 C ATOM 0 H ILE A 75 -3.281 9.697 3.599 1.00 0.24 H new ATOM 0 HA ILE A 75 -2.682 7.200 2.229 1.00 0.23 H new ATOM 0 HB ILE A 75 -4.871 9.277 1.750 1.00 0.27 H new ATOM 0 HG12 ILE A 75 -5.025 8.311 4.004 1.00 0.28 H new ATOM 0 HG13 ILE A 75 -6.362 7.809 2.989 1.00 0.28 H new ATOM 0 HG21 ILE A 75 -5.997 7.457 0.528 1.00 0.32 H new ATOM 0 HG22 ILE A 75 -4.425 7.864 -0.199 1.00 0.32 H new ATOM 0 HG23 ILE A 75 -4.589 6.405 0.806 1.00 0.32 H new ATOM 0 HD11 ILE A 75 -5.538 5.942 4.339 1.00 0.31 H new ATOM 0 HD12 ILE A 75 -5.271 5.624 2.609 1.00 0.31 H new ATOM 0 HD13 ILE A 75 -3.913 6.134 3.640 1.00 0.31 H new ATOM 897 N PHE A 76 -1.874 7.995 0.019 1.00 0.27 N ATOM 898 CA PHE A 76 -1.206 8.429 -1.199 1.00 0.31 C ATOM 899 C PHE A 76 -1.759 7.664 -2.400 1.00 0.32 C ATOM 900 O PHE A 76 -2.130 6.492 -2.276 1.00 0.35 O ATOM 901 CB PHE A 76 0.306 8.199 -1.098 1.00 0.34 C ATOM 902 CG PHE A 76 0.963 8.997 -0.010 1.00 0.39 C ATOM 903 CD1 PHE A 76 1.431 10.276 -0.256 1.00 0.50 C ATOM 904 CD2 PHE A 76 1.108 8.467 1.261 1.00 0.40 C ATOM 905 CE1 PHE A 76 2.033 11.011 0.746 1.00 0.58 C ATOM 906 CE2 PHE A 76 1.711 9.197 2.265 1.00 0.50 C ATOM 907 CZ PHE A 76 2.172 10.471 2.008 1.00 0.58 C ATOM 0 H PHE A 76 -1.949 6.982 0.114 1.00 0.27 H new ATOM 0 HA PHE A 76 -1.392 9.495 -1.330 1.00 0.31 H new ATOM 0 HB2 PHE A 76 0.493 7.139 -0.924 1.00 0.34 H new ATOM 0 HB3 PHE A 76 0.768 8.452 -2.052 1.00 0.34 H new ATOM 0 HD1 PHE A 76 1.324 10.704 -1.242 1.00 0.50 H new ATOM 0 HD2 PHE A 76 0.745 7.471 1.469 1.00 0.40 H new ATOM 0 HE1 PHE A 76 2.395 12.008 0.542 1.00 0.58 H new ATOM 0 HE2 PHE A 76 1.822 8.771 3.251 1.00 0.50 H new ATOM 0 HZ PHE A 76 2.641 11.045 2.793 1.00 0.58 H new ATOM 917 N PRO A 77 -1.843 8.321 -3.572 1.00 0.36 N ATOM 918 CA PRO A 77 -2.344 7.691 -4.799 1.00 0.38 C ATOM 919 C PRO A 77 -1.387 6.629 -5.338 1.00 0.33 C ATOM 920 O PRO A 77 -0.240 6.535 -4.892 1.00 0.33 O ATOM 921 CB PRO A 77 -2.447 8.856 -5.797 1.00 0.45 C ATOM 922 CG PRO A 77 -2.301 10.101 -4.991 1.00 0.55 C ATOM 923 CD PRO A 77 -1.476 9.728 -3.796 1.00 0.44 C ATOM 0 HA PRO A 77 -3.288 7.175 -4.625 1.00 0.38 H new ATOM 0 HB2 PRO A 77 -1.668 8.789 -6.556 1.00 0.45 H new ATOM 0 HB3 PRO A 77 -3.404 8.839 -6.319 1.00 0.45 H new ATOM 0 HG2 PRO A 77 -1.815 10.886 -5.571 1.00 0.55 H new ATOM 0 HG3 PRO A 77 -3.275 10.485 -4.688 1.00 0.55 H new ATOM 0 HD2 PRO A 77 -0.409 9.842 -3.990 1.00 0.44 H new ATOM 0 HD3 PRO A 77 -1.711 10.350 -2.932 1.00 0.44 H new ATOM 931 N ASP A 78 -1.876 5.823 -6.287 1.00 0.40 N ATOM 932 CA ASP A 78 -1.078 4.757 -6.913 1.00 0.46 C ATOM 933 C ASP A 78 -0.709 3.685 -5.875 1.00 0.45 C ATOM 934 O ASP A 78 0.229 2.907 -6.057 1.00 0.60 O ATOM 935 CB ASP A 78 0.186 5.361 -7.582 1.00 0.53 C ATOM 936 CG ASP A 78 1.052 4.342 -8.297 1.00 0.98 C ATOM 937 OD1 ASP A 78 0.525 3.581 -9.139 1.00 1.34 O ATOM 938 OD2 ASP A 78 2.275 4.314 -8.024 1.00 1.36 O ATOM 0 H ASP A 78 -2.830 5.888 -6.643 1.00 0.40 H new ATOM 0 HA ASP A 78 -1.672 4.275 -7.690 1.00 0.46 H new ATOM 0 HB2 ASP A 78 -0.123 6.125 -8.296 1.00 0.53 H new ATOM 0 HB3 ASP A 78 0.784 5.860 -6.820 1.00 0.53 H new ATOM 943 N ASP A 79 -1.477 3.622 -4.789 1.00 0.53 N ATOM 944 CA ASP A 79 -1.197 2.658 -3.729 1.00 0.61 C ATOM 945 C ASP A 79 -2.457 2.187 -3.008 1.00 0.59 C ATOM 946 O ASP A 79 -2.747 0.993 -2.957 1.00 1.11 O ATOM 947 CB ASP A 79 -0.243 3.275 -2.705 1.00 0.80 C ATOM 948 CG ASP A 79 1.062 2.522 -2.590 1.00 1.12 C ATOM 949 OD1 ASP A 79 1.190 1.440 -3.202 1.00 1.44 O ATOM 950 OD2 ASP A 79 1.979 3.026 -1.902 1.00 1.74 O ATOM 0 H ASP A 79 -2.287 4.219 -4.621 1.00 0.53 H new ATOM 0 HA ASP A 79 -0.744 1.789 -4.207 1.00 0.61 H new ATOM 0 HB2 ASP A 79 -0.037 4.308 -2.984 1.00 0.80 H new ATOM 0 HB3 ASP A 79 -0.730 3.299 -1.730 1.00 0.80 H new ATOM 955 N CYS A 80 -3.192 3.130 -2.437 1.00 0.50 N ATOM 956 CA CYS A 80 -4.395 2.813 -1.674 1.00 0.46 C ATOM 957 C CYS A 80 -5.599 2.530 -2.573 1.00 0.43 C ATOM 958 O CYS A 80 -5.834 3.231 -3.559 1.00 0.60 O ATOM 959 CB CYS A 80 -4.700 3.966 -0.722 1.00 0.63 C ATOM 960 SG CYS A 80 -3.214 4.744 -0.042 1.00 0.90 S ATOM 0 H CYS A 80 -2.977 4.126 -2.487 1.00 0.50 H new ATOM 0 HA CYS A 80 -4.206 1.900 -1.110 1.00 0.46 H new ATOM 0 HB2 CYS A 80 -5.287 4.718 -1.249 1.00 0.63 H new ATOM 0 HB3 CYS A 80 -5.317 3.598 0.098 1.00 0.63 H new ATOM 0 HG CYS A 80 -2.586 5.380 -0.986 1.00 0.90 H new ATOM 966 N GLU A 81 -6.358 1.492 -2.224 1.00 0.34 N ATOM 967 CA GLU A 81 -7.540 1.117 -2.985 1.00 0.39 C ATOM 968 C GLU A 81 -8.657 0.640 -2.055 1.00 0.36 C ATOM 969 O GLU A 81 -8.501 -0.350 -1.332 1.00 0.45 O ATOM 970 CB GLU A 81 -7.196 0.015 -3.987 1.00 0.49 C ATOM 971 CG GLU A 81 -8.323 -0.293 -4.958 1.00 0.74 C ATOM 972 CD GLU A 81 -8.136 -1.614 -5.666 1.00 0.94 C ATOM 973 OE1 GLU A 81 -7.447 -1.644 -6.705 1.00 1.32 O ATOM 974 OE2 GLU A 81 -8.676 -2.631 -5.184 1.00 1.15 O ATOM 0 H GLU A 81 -6.171 0.897 -1.417 1.00 0.34 H new ATOM 0 HA GLU A 81 -7.889 1.997 -3.525 1.00 0.39 H new ATOM 0 HB2 GLU A 81 -6.311 0.311 -4.551 1.00 0.49 H new ATOM 0 HB3 GLU A 81 -6.938 -0.893 -3.442 1.00 0.49 H new ATOM 0 HG2 GLU A 81 -9.270 -0.306 -4.418 1.00 0.74 H new ATOM 0 HG3 GLU A 81 -8.389 0.505 -5.697 1.00 0.74 H new ATOM 981 N PHE A 82 -9.779 1.347 -2.084 1.00 0.34 N ATOM 982 CA PHE A 82 -10.931 1.010 -1.253 1.00 0.32 C ATOM 983 C PHE A 82 -11.890 0.111 -2.031 1.00 0.33 C ATOM 984 O PHE A 82 -12.144 0.346 -3.212 1.00 0.42 O ATOM 985 CB PHE A 82 -11.641 2.298 -0.816 1.00 0.35 C ATOM 986 CG PHE A 82 -12.587 2.130 0.341 1.00 0.34 C ATOM 987 CD1 PHE A 82 -12.161 1.564 1.531 1.00 0.43 C ATOM 988 CD2 PHE A 82 -13.902 2.557 0.242 1.00 0.44 C ATOM 989 CE1 PHE A 82 -13.027 1.427 2.600 1.00 0.48 C ATOM 990 CE2 PHE A 82 -14.773 2.420 1.307 1.00 0.47 C ATOM 991 CZ PHE A 82 -14.335 1.855 2.486 1.00 0.43 C ATOM 0 H PHE A 82 -9.918 2.164 -2.679 1.00 0.34 H new ATOM 0 HA PHE A 82 -10.594 0.472 -0.367 1.00 0.32 H new ATOM 0 HB2 PHE A 82 -10.888 3.039 -0.548 1.00 0.35 H new ATOM 0 HB3 PHE A 82 -12.194 2.698 -1.665 1.00 0.35 H new ATOM 0 HD1 PHE A 82 -11.140 1.225 1.625 1.00 0.43 H new ATOM 0 HD2 PHE A 82 -14.250 3.002 -0.678 1.00 0.44 H new ATOM 0 HE1 PHE A 82 -12.681 0.986 3.523 1.00 0.48 H new ATOM 0 HE2 PHE A 82 -15.796 2.755 1.215 1.00 0.47 H new ATOM 0 HZ PHE A 82 -15.014 1.747 3.319 1.00 0.43 H new ATOM 1001 N LYS A 83 -12.413 -0.920 -1.379 1.00 0.34 N ATOM 1002 CA LYS A 83 -13.334 -1.847 -2.033 1.00 0.38 C ATOM 1003 C LYS A 83 -14.334 -2.426 -1.033 1.00 0.37 C ATOM 1004 O LYS A 83 -14.197 -2.234 0.174 1.00 0.38 O ATOM 1005 CB LYS A 83 -12.555 -2.977 -2.719 1.00 0.46 C ATOM 1006 CG LYS A 83 -11.305 -3.407 -1.965 1.00 0.53 C ATOM 1007 CD LYS A 83 -10.528 -4.459 -2.737 1.00 0.69 C ATOM 1008 CE LYS A 83 -9.092 -4.565 -2.252 1.00 1.06 C ATOM 1009 NZ LYS A 83 -8.292 -3.371 -2.626 1.00 1.44 N ATOM 0 H LYS A 83 -12.217 -1.137 -0.402 1.00 0.34 H new ATOM 0 HA LYS A 83 -13.891 -1.293 -2.788 1.00 0.38 H new ATOM 0 HB2 LYS A 83 -13.212 -3.839 -2.837 1.00 0.46 H new ATOM 0 HB3 LYS A 83 -12.271 -2.654 -3.720 1.00 0.46 H new ATOM 0 HG2 LYS A 83 -10.669 -2.540 -1.787 1.00 0.53 H new ATOM 0 HG3 LYS A 83 -11.585 -3.803 -0.989 1.00 0.53 H new ATOM 0 HD2 LYS A 83 -11.020 -5.426 -2.631 1.00 0.69 H new ATOM 0 HD3 LYS A 83 -10.536 -4.212 -3.799 1.00 0.69 H new ATOM 0 HE2 LYS A 83 -9.083 -4.684 -1.169 1.00 1.06 H new ATOM 0 HE3 LYS A 83 -8.631 -5.458 -2.674 1.00 1.06 H new ATOM 0 HZ1 LYS A 83 -7.286 -3.629 -2.674 1.00 1.44 H new ATOM 0 HZ2 LYS A 83 -8.604 -3.021 -3.554 1.00 1.44 H new ATOM 0 HZ3 LYS A 83 -8.425 -2.626 -1.912 1.00 1.44 H new ATOM 1023 N ARG A 84 -15.335 -3.133 -1.543 1.00 0.42 N ATOM 1024 CA ARG A 84 -16.360 -3.743 -0.704 1.00 0.43 C ATOM 1025 C ARG A 84 -16.186 -5.255 -0.663 1.00 0.44 C ATOM 1026 O ARG A 84 -15.659 -5.850 -1.603 1.00 0.49 O ATOM 1027 CB ARG A 84 -17.754 -3.405 -1.248 1.00 0.47 C ATOM 1028 CG ARG A 84 -18.894 -3.897 -0.371 1.00 0.57 C ATOM 1029 CD ARG A 84 -20.232 -3.854 -1.100 1.00 0.61 C ATOM 1030 NE ARG A 84 -20.292 -4.810 -2.213 1.00 0.71 N ATOM 1031 CZ ARG A 84 -21.104 -5.874 -2.252 1.00 0.78 C ATOM 1032 NH1 ARG A 84 -21.931 -6.128 -1.242 1.00 0.88 N ATOM 1033 NH2 ARG A 84 -21.082 -6.682 -3.304 1.00 0.96 N ATOM 0 H ARG A 84 -15.459 -3.299 -2.542 1.00 0.42 H new ATOM 0 HA ARG A 84 -16.258 -3.346 0.306 1.00 0.43 H new ATOM 0 HB2 ARG A 84 -17.837 -2.324 -1.362 1.00 0.47 H new ATOM 0 HB3 ARG A 84 -17.860 -3.839 -2.242 1.00 0.47 H new ATOM 0 HG2 ARG A 84 -18.689 -4.918 -0.048 1.00 0.57 H new ATOM 0 HG3 ARG A 84 -18.951 -3.284 0.528 1.00 0.57 H new ATOM 0 HD2 ARG A 84 -21.034 -4.070 -0.395 1.00 0.61 H new ATOM 0 HD3 ARG A 84 -20.404 -2.847 -1.480 1.00 0.61 H new ATOM 0 HE ARG A 84 -19.674 -4.653 -3.009 1.00 0.71 H new ATOM 0 HH11 ARG A 84 -21.950 -5.510 -0.430 1.00 0.88 H new ATOM 0 HH12 ARG A 84 -22.547 -6.940 -1.279 1.00 0.88 H new ATOM 0 HH21 ARG A 84 -20.448 -6.492 -4.080 1.00 0.96 H new ATOM 0 HH22 ARG A 84 -21.699 -7.493 -3.337 1.00 0.96 H new ATOM 1047 N VAL A 85 -16.608 -5.871 0.435 1.00 0.45 N ATOM 1048 CA VAL A 85 -16.534 -7.318 0.584 1.00 0.49 C ATOM 1049 C VAL A 85 -17.853 -7.941 0.119 1.00 0.55 C ATOM 1050 O VAL A 85 -18.864 -7.866 0.823 1.00 0.59 O ATOM 1051 CB VAL A 85 -16.257 -7.726 2.048 1.00 0.52 C ATOM 1052 CG1 VAL A 85 -16.097 -9.234 2.174 1.00 0.61 C ATOM 1053 CG2 VAL A 85 -15.024 -7.013 2.579 1.00 0.50 C ATOM 0 H VAL A 85 -17.007 -5.387 1.239 1.00 0.45 H new ATOM 0 HA VAL A 85 -15.708 -7.682 -0.027 1.00 0.49 H new ATOM 0 HB VAL A 85 -17.116 -7.426 2.649 1.00 0.52 H new ATOM 0 HG11 VAL A 85 -15.903 -9.494 3.215 1.00 0.61 H new ATOM 0 HG12 VAL A 85 -17.011 -9.726 1.842 1.00 0.61 H new ATOM 0 HG13 VAL A 85 -15.262 -9.564 1.556 1.00 0.61 H new ATOM 0 HG21 VAL A 85 -14.846 -7.314 3.611 1.00 0.50 H new ATOM 0 HG22 VAL A 85 -14.160 -7.278 1.970 1.00 0.50 H new ATOM 0 HG23 VAL A 85 -15.181 -5.935 2.537 1.00 0.50 H new ATOM 1063 N PRO A 86 -17.862 -8.556 -1.077 1.00 0.61 N ATOM 1064 CA PRO A 86 -19.071 -9.155 -1.648 1.00 0.69 C ATOM 1065 C PRO A 86 -19.409 -10.517 -1.055 1.00 0.68 C ATOM 1066 O PRO A 86 -20.489 -11.051 -1.299 1.00 0.77 O ATOM 1067 CB PRO A 86 -18.717 -9.290 -3.128 1.00 0.81 C ATOM 1068 CG PRO A 86 -17.239 -9.462 -3.159 1.00 0.80 C ATOM 1069 CD PRO A 86 -16.694 -8.718 -1.967 1.00 0.64 C ATOM 0 HA PRO A 86 -19.954 -8.548 -1.447 1.00 0.69 H new ATOM 0 HB2 PRO A 86 -19.223 -10.144 -3.578 1.00 0.81 H new ATOM 0 HB3 PRO A 86 -19.023 -8.407 -3.689 1.00 0.81 H new ATOM 0 HG2 PRO A 86 -16.971 -10.517 -3.113 1.00 0.80 H new ATOM 0 HG3 PRO A 86 -16.822 -9.067 -4.086 1.00 0.80 H new ATOM 0 HD2 PRO A 86 -15.896 -9.277 -1.479 1.00 0.64 H new ATOM 0 HD3 PRO A 86 -16.277 -7.753 -2.256 1.00 0.64 H new ATOM 1077 N GLN A 87 -18.499 -11.073 -0.267 1.00 0.67 N ATOM 1078 CA GLN A 87 -18.723 -12.377 0.338 1.00 0.70 C ATOM 1079 C GLN A 87 -19.269 -12.239 1.755 1.00 0.70 C ATOM 1080 O GLN A 87 -19.415 -13.227 2.473 1.00 1.01 O ATOM 1081 CB GLN A 87 -17.430 -13.199 0.337 1.00 0.78 C ATOM 1082 CG GLN A 87 -17.012 -13.659 -1.053 1.00 0.91 C ATOM 1083 CD GLN A 87 -18.141 -14.350 -1.799 1.00 1.00 C ATOM 1084 OE1 GLN A 87 -18.947 -13.700 -2.466 1.00 1.05 O ATOM 1085 NE2 GLN A 87 -18.206 -15.669 -1.704 1.00 1.21 N ATOM 0 H GLN A 87 -17.604 -10.644 -0.033 1.00 0.67 H new ATOM 0 HA GLN A 87 -19.468 -12.902 -0.260 1.00 0.70 H new ATOM 0 HB2 GLN A 87 -16.628 -12.603 0.772 1.00 0.78 H new ATOM 0 HB3 GLN A 87 -17.561 -14.071 0.977 1.00 0.78 H new ATOM 0 HG2 GLN A 87 -16.672 -12.799 -1.630 1.00 0.91 H new ATOM 0 HG3 GLN A 87 -16.166 -14.341 -0.968 1.00 0.91 H new ATOM 0 HE21 GLN A 87 -17.521 -16.174 -1.142 1.00 1.21 H new ATOM 0 HE22 GLN A 87 -18.941 -16.180 -2.193 1.00 1.21 H new ATOM 1094 N CYS A 88 -19.576 -11.014 2.151 1.00 0.73 N ATOM 1095 CA CYS A 88 -20.119 -10.765 3.474 1.00 0.71 C ATOM 1096 C CYS A 88 -21.643 -10.714 3.395 1.00 0.71 C ATOM 1097 O CYS A 88 -22.195 -10.005 2.556 1.00 0.74 O ATOM 1098 CB CYS A 88 -19.564 -9.456 4.041 1.00 0.73 C ATOM 1099 SG CYS A 88 -19.468 -9.409 5.846 1.00 1.44 S ATOM 0 H CYS A 88 -19.458 -10.180 1.576 1.00 0.73 H new ATOM 0 HA CYS A 88 -19.824 -11.574 4.143 1.00 0.71 H new ATOM 0 HB2 CYS A 88 -18.568 -9.290 3.631 1.00 0.73 H new ATOM 0 HB3 CYS A 88 -20.190 -8.632 3.700 1.00 0.73 H new ATOM 0 HG CYS A 88 -20.457 -8.707 6.315 1.00 1.44 H new ATOM 1105 N PRO A 89 -22.340 -11.485 4.250 1.00 0.75 N ATOM 1106 CA PRO A 89 -23.813 -11.536 4.269 1.00 0.79 C ATOM 1107 C PRO A 89 -24.467 -10.161 4.397 1.00 0.74 C ATOM 1108 O PRO A 89 -25.494 -9.901 3.771 1.00 0.79 O ATOM 1109 CB PRO A 89 -24.120 -12.393 5.495 1.00 0.88 C ATOM 1110 CG PRO A 89 -22.910 -13.235 5.686 1.00 0.92 C ATOM 1111 CD PRO A 89 -21.749 -12.388 5.260 1.00 0.81 C ATOM 0 HA PRO A 89 -24.209 -11.935 3.335 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -24.313 -11.774 6.371 1.00 0.88 H new ATOM 0 HB3 PRO A 89 -25.007 -13.006 5.336 1.00 0.88 H new ATOM 0 HG2 PRO A 89 -22.808 -13.542 6.727 1.00 0.92 H new ATOM 0 HG3 PRO A 89 -22.969 -14.145 5.089 1.00 0.92 H new ATOM 0 HD2 PRO A 89 -21.327 -11.833 6.098 1.00 0.81 H new ATOM 0 HD3 PRO A 89 -20.944 -12.991 4.839 1.00 0.81 H new ATOM 1119 N SER A 90 -23.879 -9.292 5.209 1.00 0.71 N ATOM 1120 CA SER A 90 -24.410 -7.949 5.394 1.00 0.71 C ATOM 1121 C SER A 90 -24.248 -7.135 4.113 1.00 0.65 C ATOM 1122 O SER A 90 -25.174 -6.462 3.659 1.00 0.72 O ATOM 1123 CB SER A 90 -23.692 -7.261 6.551 1.00 0.75 C ATOM 1124 OG SER A 90 -22.300 -7.521 6.499 1.00 0.85 O ATOM 0 H SER A 90 -23.037 -9.493 5.748 1.00 0.71 H new ATOM 0 HA SER A 90 -25.472 -8.019 5.629 1.00 0.71 H new ATOM 0 HB2 SER A 90 -23.869 -6.186 6.508 1.00 0.75 H new ATOM 0 HB3 SER A 90 -24.098 -7.613 7.499 1.00 0.75 H new ATOM 0 HG SER A 90 -21.878 -7.209 7.327 1.00 0.85 H new ATOM 1130 N GLY A 91 -23.054 -7.208 3.533 1.00 0.60 N ATOM 1131 CA GLY A 91 -22.769 -6.491 2.304 1.00 0.60 C ATOM 1132 C GLY A 91 -22.411 -5.038 2.548 1.00 0.57 C ATOM 1133 O GLY A 91 -22.152 -4.290 1.605 1.00 0.64 O ATOM 0 H GLY A 91 -22.274 -7.755 3.896 1.00 0.60 H new ATOM 0 HA2 GLY A 91 -21.947 -6.982 1.783 1.00 0.60 H new ATOM 0 HA3 GLY A 91 -23.638 -6.542 1.648 1.00 0.60 H new ATOM 1137 N ARG A 92 -22.387 -4.639 3.814 1.00 0.52 N ATOM 1138 CA ARG A 92 -22.062 -3.264 4.178 1.00 0.51 C ATOM 1139 C ARG A 92 -20.635 -3.175 4.705 1.00 0.48 C ATOM 1140 O ARG A 92 -20.200 -2.129 5.193 1.00 0.48 O ATOM 1141 CB ARG A 92 -23.044 -2.740 5.226 1.00 0.54 C ATOM 1142 CG ARG A 92 -24.497 -2.812 4.787 1.00 0.58 C ATOM 1143 CD ARG A 92 -25.358 -1.848 5.578 1.00 0.61 C ATOM 1144 NE ARG A 92 -25.142 -0.459 5.170 1.00 0.59 N ATOM 1145 CZ ARG A 92 -25.535 0.588 5.885 1.00 0.59 C ATOM 1146 NH1 ARG A 92 -26.162 0.408 7.036 1.00 0.62 N ATOM 1147 NH2 ARG A 92 -25.319 1.818 5.444 1.00 0.60 N ATOM 0 H ARG A 92 -22.589 -5.248 4.607 1.00 0.52 H new ATOM 0 HA ARG A 92 -22.144 -2.645 3.284 1.00 0.51 H new ATOM 0 HB2 ARG A 92 -22.922 -3.313 6.145 1.00 0.54 H new ATOM 0 HB3 ARG A 92 -22.795 -1.705 5.460 1.00 0.54 H new ATOM 0 HG2 ARG A 92 -24.570 -2.581 3.724 1.00 0.58 H new ATOM 0 HG3 ARG A 92 -24.869 -3.828 4.919 1.00 0.58 H new ATOM 0 HD2 ARG A 92 -26.408 -2.106 5.444 1.00 0.61 H new ATOM 0 HD3 ARG A 92 -25.137 -1.952 6.640 1.00 0.61 H new ATOM 0 HE ARG A 92 -24.663 -0.286 4.287 1.00 0.59 H new ATOM 0 HH11 ARG A 92 -26.344 -0.537 7.375 1.00 0.62 H new ATOM 0 HH12 ARG A 92 -26.463 1.214 7.584 1.00 0.62 H new ATOM 0 HH21 ARG A 92 -24.849 1.964 4.551 1.00 0.60 H new ATOM 0 HH22 ARG A 92 -25.623 2.619 5.997 1.00 0.60 H new ATOM 1161 N VAL A 93 -19.914 -4.279 4.600 1.00 0.47 N ATOM 1162 CA VAL A 93 -18.537 -4.337 5.053 1.00 0.45 C ATOM 1163 C VAL A 93 -17.594 -3.983 3.910 1.00 0.41 C ATOM 1164 O VAL A 93 -17.572 -4.649 2.870 1.00 0.43 O ATOM 1165 CB VAL A 93 -18.177 -5.733 5.613 1.00 0.48 C ATOM 1166 CG1 VAL A 93 -16.699 -5.806 5.986 1.00 0.47 C ATOM 1167 CG2 VAL A 93 -19.044 -6.061 6.819 1.00 0.56 C ATOM 0 H VAL A 93 -20.263 -5.151 4.202 1.00 0.47 H new ATOM 0 HA VAL A 93 -18.425 -3.612 5.859 1.00 0.45 H new ATOM 0 HB VAL A 93 -18.368 -6.471 4.834 1.00 0.48 H new ATOM 0 HG11 VAL A 93 -16.471 -6.797 6.377 1.00 0.47 H new ATOM 0 HG12 VAL A 93 -16.091 -5.616 5.102 1.00 0.47 H new ATOM 0 HG13 VAL A 93 -16.478 -5.056 6.746 1.00 0.47 H new ATOM 0 HG21 VAL A 93 -18.778 -7.047 7.201 1.00 0.56 H new ATOM 0 HG22 VAL A 93 -18.883 -5.315 7.597 1.00 0.56 H new ATOM 0 HG23 VAL A 93 -20.093 -6.057 6.525 1.00 0.56 H new ATOM 1177 N TYR A 94 -16.842 -2.919 4.103 1.00 0.39 N ATOM 1178 CA TYR A 94 -15.891 -2.459 3.108 1.00 0.37 C ATOM 1179 C TYR A 94 -14.475 -2.646 3.639 1.00 0.35 C ATOM 1180 O TYR A 94 -14.278 -2.805 4.846 1.00 0.37 O ATOM 1181 CB TYR A 94 -16.155 -0.989 2.761 1.00 0.38 C ATOM 1182 CG TYR A 94 -17.393 -0.771 1.906 1.00 0.41 C ATOM 1183 CD1 TYR A 94 -18.668 -0.952 2.430 1.00 0.44 C ATOM 1184 CD2 TYR A 94 -17.284 -0.385 0.577 1.00 0.42 C ATOM 1185 CE1 TYR A 94 -19.797 -0.757 1.653 1.00 0.47 C ATOM 1186 CE2 TYR A 94 -18.410 -0.188 -0.206 1.00 0.46 C ATOM 1187 CZ TYR A 94 -19.662 -0.375 0.334 1.00 0.48 C ATOM 1188 OH TYR A 94 -20.783 -0.181 -0.446 1.00 0.53 O ATOM 0 H TYR A 94 -16.871 -2.350 4.949 1.00 0.39 H new ATOM 0 HA TYR A 94 -16.006 -3.045 2.196 1.00 0.37 H new ATOM 0 HB2 TYR A 94 -16.259 -0.421 3.685 1.00 0.38 H new ATOM 0 HB3 TYR A 94 -15.288 -0.588 2.236 1.00 0.38 H new ATOM 0 HD1 TYR A 94 -18.780 -1.250 3.462 1.00 0.44 H new ATOM 0 HD2 TYR A 94 -16.305 -0.236 0.146 1.00 0.42 H new ATOM 0 HE1 TYR A 94 -20.779 -0.903 2.077 1.00 0.47 H new ATOM 0 HE2 TYR A 94 -18.305 0.112 -1.238 1.00 0.46 H new ATOM 0 HH TYR A 94 -20.516 -0.088 -1.384 1.00 0.53 H new ATOM 1198 N VAL A 95 -13.492 -2.635 2.753 1.00 0.34 N ATOM 1199 CA VAL A 95 -12.111 -2.826 3.168 1.00 0.33 C ATOM 1200 C VAL A 95 -11.144 -1.929 2.389 1.00 0.31 C ATOM 1201 O VAL A 95 -11.242 -1.788 1.166 1.00 0.31 O ATOM 1202 CB VAL A 95 -11.680 -4.310 3.024 1.00 0.36 C ATOM 1203 CG1 VAL A 95 -11.861 -4.805 1.594 1.00 0.38 C ATOM 1204 CG2 VAL A 95 -10.243 -4.514 3.486 1.00 0.38 C ATOM 0 H VAL A 95 -13.622 -2.497 1.751 1.00 0.34 H new ATOM 0 HA VAL A 95 -12.063 -2.542 4.219 1.00 0.33 H new ATOM 0 HB VAL A 95 -12.330 -4.901 3.669 1.00 0.36 H new ATOM 0 HG11 VAL A 95 -11.550 -5.848 1.528 1.00 0.38 H new ATOM 0 HG12 VAL A 95 -12.910 -4.720 1.310 1.00 0.38 H new ATOM 0 HG13 VAL A 95 -11.253 -4.201 0.920 1.00 0.38 H new ATOM 0 HG21 VAL A 95 -9.970 -5.563 3.373 1.00 0.38 H new ATOM 0 HG22 VAL A 95 -9.576 -3.899 2.882 1.00 0.38 H new ATOM 0 HG23 VAL A 95 -10.153 -4.226 4.534 1.00 0.38 H new ATOM 1214 N LEU A 96 -10.233 -1.311 3.121 1.00 0.31 N ATOM 1215 CA LEU A 96 -9.215 -0.454 2.544 1.00 0.30 C ATOM 1216 C LEU A 96 -7.902 -1.220 2.515 1.00 0.30 C ATOM 1217 O LEU A 96 -7.386 -1.616 3.564 1.00 0.38 O ATOM 1218 CB LEU A 96 -9.064 0.830 3.368 1.00 0.34 C ATOM 1219 CG LEU A 96 -7.993 1.806 2.873 1.00 0.37 C ATOM 1220 CD1 LEU A 96 -8.429 2.468 1.574 1.00 0.43 C ATOM 1221 CD2 LEU A 96 -7.694 2.851 3.940 1.00 0.44 C ATOM 0 H LEU A 96 -10.180 -1.391 4.136 1.00 0.31 H new ATOM 0 HA LEU A 96 -9.503 -0.170 1.532 1.00 0.30 H new ATOM 0 HB2 LEU A 96 -10.024 1.347 3.383 1.00 0.34 H new ATOM 0 HB3 LEU A 96 -8.834 0.556 4.398 1.00 0.34 H new ATOM 0 HG LEU A 96 -7.079 1.246 2.676 1.00 0.37 H new ATOM 0 HD11 LEU A 96 -7.654 3.158 1.239 1.00 0.43 H new ATOM 0 HD12 LEU A 96 -8.589 1.705 0.813 1.00 0.43 H new ATOM 0 HD13 LEU A 96 -9.356 3.016 1.739 1.00 0.43 H new ATOM 0 HD21 LEU A 96 -6.931 3.537 3.573 1.00 0.44 H new ATOM 0 HD22 LEU A 96 -8.603 3.408 4.169 1.00 0.44 H new ATOM 0 HD23 LEU A 96 -7.334 2.357 4.842 1.00 0.44 H new ATOM 1233 N LYS A 97 -7.367 -1.447 1.326 1.00 0.29 N ATOM 1234 CA LYS A 97 -6.128 -2.191 1.198 1.00 0.33 C ATOM 1235 C LYS A 97 -5.064 -1.383 0.471 1.00 0.26 C ATOM 1236 O LYS A 97 -5.362 -0.656 -0.478 1.00 0.32 O ATOM 1237 CB LYS A 97 -6.371 -3.511 0.458 1.00 0.45 C ATOM 1238 CG LYS A 97 -5.125 -4.374 0.325 1.00 0.51 C ATOM 1239 CD LYS A 97 -5.291 -5.435 -0.750 1.00 0.74 C ATOM 1240 CE LYS A 97 -4.061 -6.326 -0.859 1.00 0.80 C ATOM 1241 NZ LYS A 97 -2.859 -5.579 -1.327 1.00 0.89 N ATOM 0 H LYS A 97 -7.768 -1.129 0.444 1.00 0.29 H new ATOM 0 HA LYS A 97 -5.767 -2.402 2.205 1.00 0.33 H new ATOM 0 HB2 LYS A 97 -7.140 -4.077 0.984 1.00 0.45 H new ATOM 0 HB3 LYS A 97 -6.760 -3.294 -0.537 1.00 0.45 H new ATOM 0 HG2 LYS A 97 -4.269 -3.743 0.085 1.00 0.51 H new ATOM 0 HG3 LYS A 97 -4.910 -4.853 1.280 1.00 0.51 H new ATOM 0 HD2 LYS A 97 -6.164 -6.047 -0.525 1.00 0.74 H new ATOM 0 HD3 LYS A 97 -5.478 -4.954 -1.710 1.00 0.74 H new ATOM 0 HE2 LYS A 97 -3.852 -6.773 0.113 1.00 0.80 H new ATOM 0 HE3 LYS A 97 -4.268 -7.144 -1.548 1.00 0.80 H new ATOM 0 HZ1 LYS A 97 -2.057 -6.234 -1.418 1.00 0.89 H new ATOM 0 HZ2 LYS A 97 -3.058 -5.145 -2.251 1.00 0.89 H new ATOM 0 HZ3 LYS A 97 -2.623 -4.836 -0.639 1.00 0.89 H new ATOM 1255 N PHE A 98 -3.836 -1.508 0.943 1.00 0.29 N ATOM 1256 CA PHE A 98 -2.701 -0.836 0.336 1.00 0.30 C ATOM 1257 C PHE A 98 -1.986 -1.823 -0.577 1.00 0.33 C ATOM 1258 O PHE A 98 -1.885 -3.010 -0.257 1.00 0.45 O ATOM 1259 CB PHE A 98 -1.734 -0.316 1.411 1.00 0.39 C ATOM 1260 CG PHE A 98 -2.290 0.798 2.258 1.00 0.44 C ATOM 1261 CD1 PHE A 98 -3.297 0.557 3.180 1.00 0.61 C ATOM 1262 CD2 PHE A 98 -1.794 2.088 2.140 1.00 0.57 C ATOM 1263 CE1 PHE A 98 -3.797 1.580 3.964 1.00 0.76 C ATOM 1264 CE2 PHE A 98 -2.291 3.113 2.921 1.00 0.72 C ATOM 1265 CZ PHE A 98 -3.294 2.858 3.835 1.00 0.77 C ATOM 0 H PHE A 98 -3.598 -2.077 1.756 1.00 0.29 H new ATOM 0 HA PHE A 98 -3.053 0.021 -0.239 1.00 0.30 H new ATOM 0 HB2 PHE A 98 -1.452 -1.145 2.061 1.00 0.39 H new ATOM 0 HB3 PHE A 98 -0.823 0.033 0.925 1.00 0.39 H new ATOM 0 HD1 PHE A 98 -3.695 -0.441 3.287 1.00 0.61 H new ATOM 0 HD2 PHE A 98 -1.009 2.294 1.428 1.00 0.57 H new ATOM 0 HE1 PHE A 98 -4.582 1.378 4.678 1.00 0.76 H new ATOM 0 HE2 PHE A 98 -1.896 4.113 2.817 1.00 0.72 H new ATOM 0 HZ PHE A 98 -3.684 3.657 4.448 1.00 0.77 H new ATOM 1275 N LYS A 99 -1.530 -1.354 -1.725 1.00 0.40 N ATOM 1276 CA LYS A 99 -0.831 -2.215 -2.670 1.00 0.48 C ATOM 1277 C LYS A 99 0.645 -2.334 -2.303 1.00 0.54 C ATOM 1278 O LYS A 99 1.322 -3.287 -2.693 1.00 0.82 O ATOM 1279 CB LYS A 99 -0.993 -1.682 -4.097 1.00 0.54 C ATOM 1280 CG LYS A 99 -2.422 -1.755 -4.620 1.00 0.70 C ATOM 1281 CD LYS A 99 -2.517 -1.300 -6.068 1.00 0.73 C ATOM 1282 CE LYS A 99 -3.958 -1.279 -6.552 1.00 0.91 C ATOM 1283 NZ LYS A 99 -4.049 -1.024 -8.019 1.00 1.11 N ATOM 0 H LYS A 99 -1.629 -0.385 -2.027 1.00 0.40 H new ATOM 0 HA LYS A 99 -1.273 -3.210 -2.621 1.00 0.48 H new ATOM 0 HB2 LYS A 99 -0.657 -0.646 -4.129 1.00 0.54 H new ATOM 0 HB3 LYS A 99 -0.342 -2.249 -4.763 1.00 0.54 H new ATOM 0 HG2 LYS A 99 -2.788 -2.778 -4.536 1.00 0.70 H new ATOM 0 HG3 LYS A 99 -3.068 -1.133 -4.000 1.00 0.70 H new ATOM 0 HD2 LYS A 99 -2.084 -0.304 -6.167 1.00 0.73 H new ATOM 0 HD3 LYS A 99 -1.930 -1.967 -6.699 1.00 0.73 H new ATOM 0 HE2 LYS A 99 -4.433 -2.232 -6.319 1.00 0.91 H new ATOM 0 HE3 LYS A 99 -4.510 -0.508 -6.015 1.00 0.91 H new ATOM 0 HZ1 LYS A 99 -5.048 -1.017 -8.309 1.00 1.11 H new ATOM 0 HZ2 LYS A 99 -3.619 -0.103 -8.239 1.00 1.11 H new ATOM 0 HZ3 LYS A 99 -3.544 -1.774 -8.534 1.00 1.11 H new ATOM 1297 N ALA A 100 1.138 -1.366 -1.545 1.00 0.55 N ATOM 1298 CA ALA A 100 2.527 -1.370 -1.118 1.00 0.63 C ATOM 1299 C ALA A 100 2.659 -1.942 0.285 1.00 0.62 C ATOM 1300 O ALA A 100 2.301 -1.296 1.269 1.00 1.36 O ATOM 1301 CB ALA A 100 3.104 0.034 -1.170 1.00 0.89 C ATOM 0 H ALA A 100 0.596 -0.568 -1.213 1.00 0.55 H new ATOM 0 HA ALA A 100 3.090 -2.004 -1.802 1.00 0.63 H new ATOM 0 HB1 ALA A 100 4.145 0.012 -0.847 1.00 0.89 H new ATOM 0 HB2 ALA A 100 3.049 0.412 -2.191 1.00 0.89 H new ATOM 0 HB3 ALA A 100 2.533 0.687 -0.510 1.00 0.89 H new ATOM 1307 N GLY A 101 3.168 -3.159 0.368 1.00 0.78 N ATOM 1308 CA GLY A 101 3.346 -3.799 1.655 1.00 0.83 C ATOM 1309 C GLY A 101 2.220 -4.749 1.991 1.00 0.73 C ATOM 1310 O GLY A 101 1.836 -5.583 1.168 1.00 1.06 O ATOM 0 H GLY A 101 3.462 -3.717 -0.433 1.00 0.78 H new ATOM 0 HA2 GLY A 101 4.290 -4.344 1.658 1.00 0.83 H new ATOM 0 HA3 GLY A 101 3.416 -3.036 2.430 1.00 0.83 H new ATOM 1314 N SER A 102 1.691 -4.636 3.202 1.00 0.51 N ATOM 1315 CA SER A 102 0.603 -5.497 3.645 1.00 0.48 C ATOM 1316 C SER A 102 -0.243 -4.800 4.708 1.00 0.52 C ATOM 1317 O SER A 102 0.132 -4.750 5.879 1.00 1.13 O ATOM 1318 CB SER A 102 1.157 -6.816 4.192 1.00 0.60 C ATOM 1319 OG SER A 102 1.933 -7.488 3.211 1.00 1.00 O ATOM 0 H SER A 102 1.999 -3.955 3.896 1.00 0.51 H new ATOM 0 HA SER A 102 -0.033 -5.711 2.786 1.00 0.48 H new ATOM 0 HB2 SER A 102 1.768 -6.620 5.073 1.00 0.60 H new ATOM 0 HB3 SER A 102 0.334 -7.456 4.511 1.00 0.60 H new ATOM 0 HG SER A 102 2.277 -8.326 3.584 1.00 1.00 H new ATOM 1325 N LYS A 103 -1.378 -4.251 4.289 1.00 0.42 N ATOM 1326 CA LYS A 103 -2.277 -3.559 5.204 1.00 0.42 C ATOM 1327 C LYS A 103 -3.722 -3.693 4.734 1.00 0.39 C ATOM 1328 O LYS A 103 -4.063 -3.283 3.620 1.00 0.44 O ATOM 1329 CB LYS A 103 -1.891 -2.080 5.312 1.00 0.52 C ATOM 1330 CG LYS A 103 -1.941 -1.541 6.736 1.00 0.60 C ATOM 1331 CD LYS A 103 -1.295 -0.164 6.837 1.00 0.79 C ATOM 1332 CE LYS A 103 -1.019 0.229 8.283 1.00 0.93 C ATOM 1333 NZ LYS A 103 0.014 -0.639 8.913 1.00 1.17 N ATOM 0 H LYS A 103 -1.697 -4.272 3.320 1.00 0.42 H new ATOM 0 HA LYS A 103 -2.188 -4.017 6.189 1.00 0.42 H new ATOM 0 HB2 LYS A 103 -0.884 -1.946 4.916 1.00 0.52 H new ATOM 0 HB3 LYS A 103 -2.561 -1.491 4.685 1.00 0.52 H new ATOM 0 HG2 LYS A 103 -2.978 -1.482 7.067 1.00 0.60 H new ATOM 0 HG3 LYS A 103 -1.431 -2.233 7.406 1.00 0.60 H new ATOM 0 HD2 LYS A 103 -0.361 -0.159 6.275 1.00 0.79 H new ATOM 0 HD3 LYS A 103 -1.948 0.578 6.377 1.00 0.79 H new ATOM 0 HE2 LYS A 103 -0.690 1.268 8.319 1.00 0.93 H new ATOM 0 HE3 LYS A 103 -1.943 0.167 8.858 1.00 0.93 H new ATOM 0 HZ1 LYS A 103 0.391 -0.170 9.762 1.00 1.17 H new ATOM 0 HZ2 LYS A 103 -0.413 -1.549 9.181 1.00 1.17 H new ATOM 0 HZ3 LYS A 103 0.787 -0.805 8.237 1.00 1.17 H new ATOM 1347 N ARG A 104 -4.560 -4.280 5.578 1.00 0.37 N ATOM 1348 CA ARG A 104 -5.970 -4.483 5.264 1.00 0.38 C ATOM 1349 C ARG A 104 -6.847 -3.963 6.399 1.00 0.37 C ATOM 1350 O ARG A 104 -6.886 -4.553 7.477 1.00 0.51 O ATOM 1351 CB ARG A 104 -6.261 -5.970 5.047 1.00 0.47 C ATOM 1352 CG ARG A 104 -5.631 -6.555 3.794 1.00 0.63 C ATOM 1353 CD ARG A 104 -5.692 -8.072 3.802 1.00 0.86 C ATOM 1354 NE ARG A 104 -5.423 -8.637 2.484 1.00 1.11 N ATOM 1355 CZ ARG A 104 -4.544 -9.612 2.248 1.00 1.40 C ATOM 1356 NH1 ARG A 104 -3.850 -10.152 3.247 1.00 1.85 N ATOM 1357 NH2 ARG A 104 -4.376 -10.058 1.008 1.00 1.70 N ATOM 0 H ARG A 104 -4.284 -4.628 6.496 1.00 0.37 H new ATOM 0 HA ARG A 104 -6.195 -3.933 4.350 1.00 0.38 H new ATOM 0 HB2 ARG A 104 -5.905 -6.528 5.913 1.00 0.47 H new ATOM 0 HB3 ARG A 104 -7.340 -6.113 4.998 1.00 0.47 H new ATOM 0 HG2 ARG A 104 -6.147 -6.173 2.913 1.00 0.63 H new ATOM 0 HG3 ARG A 104 -4.593 -6.231 3.721 1.00 0.63 H new ATOM 0 HD2 ARG A 104 -4.967 -8.460 4.518 1.00 0.86 H new ATOM 0 HD3 ARG A 104 -6.677 -8.393 4.140 1.00 0.86 H new ATOM 0 HE ARG A 104 -5.942 -8.261 1.690 1.00 1.11 H new ATOM 0 HH11 ARG A 104 -3.988 -9.821 4.202 1.00 1.85 H new ATOM 0 HH12 ARG A 104 -3.180 -10.897 3.058 1.00 1.85 H new ATOM 0 HH21 ARG A 104 -4.918 -9.655 0.243 1.00 1.70 H new ATOM 0 HH22 ARG A 104 -3.705 -10.803 0.821 1.00 1.70 H new ATOM 1371 N LEU A 105 -7.543 -2.860 6.160 1.00 0.33 N ATOM 1372 CA LEU A 105 -8.413 -2.279 7.174 1.00 0.34 C ATOM 1373 C LEU A 105 -9.879 -2.451 6.788 1.00 0.33 C ATOM 1374 O LEU A 105 -10.306 -1.999 5.728 1.00 0.39 O ATOM 1375 CB LEU A 105 -8.090 -0.793 7.373 1.00 0.37 C ATOM 1376 CG LEU A 105 -6.636 -0.483 7.738 1.00 0.50 C ATOM 1377 CD1 LEU A 105 -6.436 1.017 7.888 1.00 0.70 C ATOM 1378 CD2 LEU A 105 -6.237 -1.208 9.015 1.00 0.82 C ATOM 0 H LEU A 105 -7.523 -2.351 5.276 1.00 0.33 H new ATOM 0 HA LEU A 105 -8.237 -2.803 8.113 1.00 0.34 H new ATOM 0 HB2 LEU A 105 -8.339 -0.258 6.457 1.00 0.37 H new ATOM 0 HB3 LEU A 105 -8.736 -0.400 8.158 1.00 0.37 H new ATOM 0 HG LEU A 105 -5.995 -0.838 6.931 1.00 0.50 H new ATOM 0 HD11 LEU A 105 -5.397 1.221 8.148 1.00 0.70 H new ATOM 0 HD12 LEU A 105 -6.679 1.512 6.948 1.00 0.70 H new ATOM 0 HD13 LEU A 105 -7.088 1.394 8.676 1.00 0.70 H new ATOM 0 HD21 LEU A 105 -5.200 -0.975 9.257 1.00 0.82 H new ATOM 0 HD22 LEU A 105 -6.882 -0.886 9.833 1.00 0.82 H new ATOM 0 HD23 LEU A 105 -6.343 -2.283 8.871 1.00 0.82 H new ATOM 1390 N PHE A 106 -10.646 -3.099 7.651 1.00 0.34 N ATOM 1391 CA PHE A 106 -12.061 -3.338 7.388 1.00 0.34 C ATOM 1392 C PHE A 106 -12.937 -2.313 8.102 1.00 0.35 C ATOM 1393 O PHE A 106 -12.662 -1.930 9.243 1.00 0.37 O ATOM 1394 CB PHE A 106 -12.451 -4.749 7.830 1.00 0.38 C ATOM 1395 CG PHE A 106 -11.862 -5.841 6.982 1.00 0.40 C ATOM 1396 CD1 PHE A 106 -10.563 -6.280 7.195 1.00 0.46 C ATOM 1397 CD2 PHE A 106 -12.611 -6.434 5.981 1.00 0.44 C ATOM 1398 CE1 PHE A 106 -10.023 -7.290 6.421 1.00 0.52 C ATOM 1399 CE2 PHE A 106 -12.079 -7.443 5.206 1.00 0.50 C ATOM 1400 CZ PHE A 106 -10.784 -7.872 5.424 1.00 0.52 C ATOM 0 H PHE A 106 -10.314 -3.470 8.541 1.00 0.34 H new ATOM 0 HA PHE A 106 -12.222 -3.238 6.315 1.00 0.34 H new ATOM 0 HB2 PHE A 106 -12.135 -4.895 8.863 1.00 0.38 H new ATOM 0 HB3 PHE A 106 -13.537 -4.836 7.813 1.00 0.38 H new ATOM 0 HD1 PHE A 106 -9.967 -5.828 7.974 1.00 0.46 H new ATOM 0 HD2 PHE A 106 -13.624 -6.103 5.805 1.00 0.44 H new ATOM 0 HE1 PHE A 106 -9.010 -7.623 6.594 1.00 0.52 H new ATOM 0 HE2 PHE A 106 -12.675 -7.898 4.429 1.00 0.50 H new ATOM 0 HZ PHE A 106 -10.366 -8.661 4.816 1.00 0.52 H new ATOM 1410 N PHE A 107 -13.988 -1.871 7.422 1.00 0.35 N ATOM 1411 CA PHE A 107 -14.918 -0.892 7.974 1.00 0.37 C ATOM 1412 C PHE A 107 -16.348 -1.235 7.569 1.00 0.39 C ATOM 1413 O PHE A 107 -16.618 -1.491 6.398 1.00 0.48 O ATOM 1414 CB PHE A 107 -14.582 0.519 7.476 1.00 0.36 C ATOM 1415 CG PHE A 107 -13.226 1.017 7.893 1.00 0.35 C ATOM 1416 CD1 PHE A 107 -13.036 1.587 9.141 1.00 0.41 C ATOM 1417 CD2 PHE A 107 -12.145 0.924 7.031 1.00 0.38 C ATOM 1418 CE1 PHE A 107 -11.792 2.055 9.520 1.00 0.46 C ATOM 1419 CE2 PHE A 107 -10.901 1.387 7.405 1.00 0.43 C ATOM 1420 CZ PHE A 107 -10.723 1.954 8.650 1.00 0.46 C ATOM 0 H PHE A 107 -14.219 -2.179 6.477 1.00 0.35 H new ATOM 0 HA PHE A 107 -14.827 -0.919 9.060 1.00 0.37 H new ATOM 0 HB2 PHE A 107 -14.641 0.531 6.388 1.00 0.36 H new ATOM 0 HB3 PHE A 107 -15.339 1.211 7.844 1.00 0.36 H new ATOM 0 HD1 PHE A 107 -13.868 1.667 9.825 1.00 0.41 H new ATOM 0 HD2 PHE A 107 -12.278 0.483 6.054 1.00 0.38 H new ATOM 0 HE1 PHE A 107 -11.655 2.499 10.495 1.00 0.46 H new ATOM 0 HE2 PHE A 107 -10.067 1.306 6.724 1.00 0.43 H new ATOM 0 HZ PHE A 107 -9.750 2.318 8.944 1.00 0.46 H new ATOM 1430 N TRP A 108 -17.261 -1.247 8.532 1.00 0.41 N ATOM 1431 CA TRP A 108 -18.655 -1.542 8.236 1.00 0.43 C ATOM 1432 C TRP A 108 -19.493 -0.275 8.368 1.00 0.45 C ATOM 1433 O TRP A 108 -19.426 0.423 9.381 1.00 0.45 O ATOM 1434 CB TRP A 108 -19.200 -2.677 9.121 1.00 0.45 C ATOM 1435 CG TRP A 108 -18.965 -2.510 10.595 1.00 0.48 C ATOM 1436 CD1 TRP A 108 -17.798 -2.714 11.271 1.00 0.51 C ATOM 1437 CD2 TRP A 108 -19.940 -2.144 11.581 1.00 0.55 C ATOM 1438 NE1 TRP A 108 -17.983 -2.481 12.615 1.00 0.58 N ATOM 1439 CE2 TRP A 108 -19.290 -2.128 12.828 1.00 0.60 C ATOM 1440 CE3 TRP A 108 -21.299 -1.815 11.526 1.00 0.61 C ATOM 1441 CZ2 TRP A 108 -19.953 -1.807 14.009 1.00 0.70 C ATOM 1442 CZ3 TRP A 108 -21.957 -1.496 12.698 1.00 0.70 C ATOM 1443 CH2 TRP A 108 -21.283 -1.490 13.925 1.00 0.74 C ATOM 0 H TRP A 108 -17.063 -1.058 9.515 1.00 0.41 H new ATOM 0 HA TRP A 108 -18.719 -1.894 7.207 1.00 0.43 H new ATOM 0 HB2 TRP A 108 -20.273 -2.767 8.949 1.00 0.45 H new ATOM 0 HB3 TRP A 108 -18.746 -3.615 8.801 1.00 0.45 H new ATOM 0 HD1 TRP A 108 -16.865 -3.015 10.818 1.00 0.51 H new ATOM 0 HE1 TRP A 108 -17.265 -2.558 13.335 1.00 0.58 H new ATOM 0 HE3 TRP A 108 -21.825 -1.811 10.583 1.00 0.61 H new ATOM 0 HZ2 TRP A 108 -19.437 -1.808 14.958 1.00 0.70 H new ATOM 0 HZ3 TRP A 108 -23.008 -1.247 12.667 1.00 0.70 H new ATOM 0 HH2 TRP A 108 -21.823 -1.230 14.824 1.00 0.74 H new ATOM 1454 N MET A 109 -20.256 0.021 7.322 1.00 0.46 N ATOM 1455 CA MET A 109 -21.099 1.219 7.269 1.00 0.48 C ATOM 1456 C MET A 109 -22.058 1.299 8.452 1.00 0.50 C ATOM 1457 O MET A 109 -22.787 0.351 8.743 1.00 0.51 O ATOM 1458 CB MET A 109 -21.903 1.243 5.968 1.00 0.50 C ATOM 1459 CG MET A 109 -21.050 1.404 4.720 1.00 0.50 C ATOM 1460 SD MET A 109 -20.357 3.060 4.559 1.00 0.58 S ATOM 1461 CE MET A 109 -19.490 2.903 3.000 1.00 0.60 C ATOM 0 H MET A 109 -20.311 -0.560 6.485 1.00 0.46 H new ATOM 0 HA MET A 109 -20.433 2.080 7.313 1.00 0.48 H new ATOM 0 HB2 MET A 109 -22.475 0.318 5.889 1.00 0.50 H new ATOM 0 HB3 MET A 109 -22.623 2.060 6.012 1.00 0.50 H new ATOM 0 HG2 MET A 109 -20.239 0.676 4.743 1.00 0.50 H new ATOM 0 HG3 MET A 109 -21.654 1.181 3.841 1.00 0.50 H new ATOM 0 HE1 MET A 109 -19.034 3.858 2.739 1.00 0.60 H new ATOM 0 HE2 MET A 109 -18.714 2.143 3.090 1.00 0.60 H new ATOM 0 HE3 MET A 109 -20.194 2.612 2.220 1.00 0.60 H new ATOM 1471 N GLN A 110 -22.054 2.440 9.127 1.00 0.51 N ATOM 1472 CA GLN A 110 -22.926 2.660 10.271 1.00 0.53 C ATOM 1473 C GLN A 110 -24.034 3.645 9.908 1.00 0.56 C ATOM 1474 O GLN A 110 -24.762 4.135 10.774 1.00 0.61 O ATOM 1475 CB GLN A 110 -22.125 3.170 11.472 1.00 0.53 C ATOM 1476 CG GLN A 110 -21.192 2.129 12.068 1.00 0.51 C ATOM 1477 CD GLN A 110 -20.547 2.588 13.360 1.00 0.52 C ATOM 1478 OE1 GLN A 110 -20.366 3.784 13.591 1.00 0.55 O ATOM 1479 NE2 GLN A 110 -20.188 1.638 14.206 1.00 0.53 N ATOM 0 H GLN A 110 -21.452 3.232 8.900 1.00 0.51 H new ATOM 0 HA GLN A 110 -23.382 1.709 10.546 1.00 0.53 H new ATOM 0 HB2 GLN A 110 -21.540 4.037 11.166 1.00 0.53 H new ATOM 0 HB3 GLN A 110 -22.818 3.509 12.243 1.00 0.53 H new ATOM 0 HG2 GLN A 110 -21.750 1.211 12.252 1.00 0.51 H new ATOM 0 HG3 GLN A 110 -20.413 1.889 11.344 1.00 0.51 H new ATOM 0 HE21 GLN A 110 -20.357 0.659 13.975 1.00 0.53 H new ATOM 0 HE22 GLN A 110 -19.742 1.884 15.090 1.00 0.53 H new ATOM 1488 N GLU A 111 -24.150 3.936 8.618 1.00 0.57 N ATOM 1489 CA GLU A 111 -25.178 4.840 8.122 1.00 0.60 C ATOM 1490 C GLU A 111 -26.527 4.120 8.114 1.00 0.63 C ATOM 1491 O GLU A 111 -26.578 2.904 7.934 1.00 0.64 O ATOM 1492 CB GLU A 111 -24.821 5.331 6.716 1.00 0.61 C ATOM 1493 CG GLU A 111 -23.571 6.199 6.672 1.00 0.62 C ATOM 1494 CD GLU A 111 -23.731 7.503 7.428 1.00 0.65 C ATOM 1495 OE1 GLU A 111 -24.715 8.233 7.171 1.00 0.73 O ATOM 1496 OE2 GLU A 111 -22.874 7.813 8.278 1.00 0.67 O ATOM 0 H GLU A 111 -23.541 3.556 7.894 1.00 0.57 H new ATOM 0 HA GLU A 111 -25.242 5.708 8.778 1.00 0.60 H new ATOM 0 HB2 GLU A 111 -24.677 4.469 6.065 1.00 0.61 H new ATOM 0 HB3 GLU A 111 -25.661 5.898 6.314 1.00 0.61 H new ATOM 0 HG2 GLU A 111 -22.733 5.642 7.092 1.00 0.62 H new ATOM 0 HG3 GLU A 111 -23.322 6.415 5.633 1.00 0.62 H new ATOM 1503 N PRO A 112 -27.629 4.852 8.316 1.00 0.67 N ATOM 1504 CA PRO A 112 -28.976 4.264 8.349 1.00 0.71 C ATOM 1505 C PRO A 112 -29.415 3.671 7.010 1.00 0.71 C ATOM 1506 O PRO A 112 -29.965 2.568 6.962 1.00 0.79 O ATOM 1507 CB PRO A 112 -29.874 5.445 8.732 1.00 0.77 C ATOM 1508 CG PRO A 112 -29.104 6.662 8.366 1.00 0.82 C ATOM 1509 CD PRO A 112 -27.656 6.308 8.540 1.00 0.71 C ATOM 0 HA PRO A 112 -29.022 3.425 9.044 1.00 0.71 H new ATOM 0 HB2 PRO A 112 -30.824 5.406 8.198 1.00 0.77 H new ATOM 0 HB3 PRO A 112 -30.106 5.433 9.797 1.00 0.77 H new ATOM 0 HG2 PRO A 112 -29.311 6.960 7.338 1.00 0.82 H new ATOM 0 HG3 PRO A 112 -29.379 7.503 9.003 1.00 0.82 H new ATOM 0 HD2 PRO A 112 -27.025 6.836 7.825 1.00 0.71 H new ATOM 0 HD3 PRO A 112 -27.296 6.568 9.536 1.00 0.71 H new ATOM 1517 N LYS A 113 -29.168 4.395 5.928 1.00 0.72 N ATOM 1518 CA LYS A 113 -29.563 3.936 4.605 1.00 0.75 C ATOM 1519 C LYS A 113 -28.389 3.320 3.858 1.00 0.69 C ATOM 1520 O LYS A 113 -27.230 3.581 4.174 1.00 0.70 O ATOM 1521 CB LYS A 113 -30.140 5.092 3.788 1.00 0.86 C ATOM 1522 CG LYS A 113 -31.658 5.115 3.729 1.00 0.99 C ATOM 1523 CD LYS A 113 -32.262 5.565 5.046 1.00 1.05 C ATOM 1524 CE LYS A 113 -33.780 5.633 4.965 1.00 1.11 C ATOM 1525 NZ LYS A 113 -34.387 6.161 6.216 1.00 1.51 N ATOM 0 H LYS A 113 -28.697 5.300 5.940 1.00 0.72 H new ATOM 0 HA LYS A 113 -30.327 3.170 4.738 1.00 0.75 H new ATOM 0 HB2 LYS A 113 -29.790 6.033 4.213 1.00 0.86 H new ATOM 0 HB3 LYS A 113 -29.749 5.035 2.772 1.00 0.86 H new ATOM 0 HG2 LYS A 113 -31.981 5.785 2.932 1.00 0.99 H new ATOM 0 HG3 LYS A 113 -32.028 4.121 3.479 1.00 0.99 H new ATOM 0 HD2 LYS A 113 -31.969 4.875 5.837 1.00 1.05 H new ATOM 0 HD3 LYS A 113 -31.866 6.544 5.314 1.00 1.05 H new ATOM 0 HE2 LYS A 113 -34.069 6.267 4.127 1.00 1.11 H new ATOM 0 HE3 LYS A 113 -34.176 4.638 4.763 1.00 1.11 H new ATOM 0 HZ1 LYS A 113 -35.422 6.189 6.115 1.00 1.51 H new ATOM 0 HZ2 LYS A 113 -34.134 5.542 7.013 1.00 1.51 H new ATOM 0 HZ3 LYS A 113 -34.030 7.121 6.397 1.00 1.51 H new ATOM 1539 N THR A 114 -28.703 2.503 2.869 1.00 0.69 N ATOM 1540 CA THR A 114 -27.692 1.846 2.055 1.00 0.66 C ATOM 1541 C THR A 114 -27.557 2.545 0.704 1.00 0.67 C ATOM 1542 O THR A 114 -26.691 2.213 -0.104 1.00 0.69 O ATOM 1543 CB THR A 114 -28.072 0.376 1.818 1.00 0.70 C ATOM 1544 OG1 THR A 114 -29.479 0.293 1.533 1.00 0.90 O ATOM 1545 CG2 THR A 114 -27.741 -0.481 3.033 1.00 0.86 C ATOM 0 H THR A 114 -29.662 2.276 2.607 1.00 0.69 H new ATOM 0 HA THR A 114 -26.743 1.899 2.588 1.00 0.66 H new ATOM 0 HB THR A 114 -27.496 -0.001 0.973 1.00 0.70 H new ATOM 0 HG1 THR A 114 -29.727 -0.643 1.379 1.00 0.90 H new ATOM 0 HG21 THR A 114 -28.021 -1.516 2.836 1.00 0.86 H new ATOM 0 HG22 THR A 114 -26.671 -0.427 3.236 1.00 0.86 H new ATOM 0 HG23 THR A 114 -28.293 -0.114 3.898 1.00 0.86 H new ATOM 1553 N ASP A 115 -28.422 3.529 0.481 1.00 0.69 N ATOM 1554 CA ASP A 115 -28.457 4.279 -0.770 1.00 0.72 C ATOM 1555 C ASP A 115 -27.136 4.975 -1.069 1.00 0.68 C ATOM 1556 O ASP A 115 -26.697 5.019 -2.216 1.00 0.72 O ATOM 1557 CB ASP A 115 -29.581 5.315 -0.723 1.00 0.79 C ATOM 1558 CG ASP A 115 -30.950 4.679 -0.647 1.00 0.94 C ATOM 1559 OD1 ASP A 115 -31.361 4.274 0.463 1.00 1.14 O ATOM 1560 OD2 ASP A 115 -31.628 4.577 -1.693 1.00 1.19 O ATOM 0 H ASP A 115 -29.119 3.829 1.163 1.00 0.69 H new ATOM 0 HA ASP A 115 -28.638 3.561 -1.570 1.00 0.72 H new ATOM 0 HB2 ASP A 115 -29.437 5.964 0.141 1.00 0.79 H new ATOM 0 HB3 ASP A 115 -29.526 5.947 -1.609 1.00 0.79 H new ATOM 1565 N GLN A 116 -26.496 5.511 -0.041 1.00 0.66 N ATOM 1566 CA GLN A 116 -25.240 6.219 -0.229 1.00 0.64 C ATOM 1567 C GLN A 116 -24.045 5.367 0.181 1.00 0.60 C ATOM 1568 O GLN A 116 -22.950 5.890 0.389 1.00 0.59 O ATOM 1569 CB GLN A 116 -25.249 7.527 0.566 1.00 0.70 C ATOM 1570 CG GLN A 116 -26.288 8.522 0.085 1.00 0.77 C ATOM 1571 CD GLN A 116 -25.835 9.295 -1.137 1.00 0.83 C ATOM 1572 OE1 GLN A 116 -26.048 8.867 -2.272 1.00 0.90 O ATOM 1573 NE2 GLN A 116 -25.206 10.436 -0.914 1.00 0.92 N ATOM 0 H GLN A 116 -26.823 5.470 0.924 1.00 0.66 H new ATOM 0 HA GLN A 116 -25.141 6.441 -1.292 1.00 0.64 H new ATOM 0 HB2 GLN A 116 -25.432 7.303 1.617 1.00 0.70 H new ATOM 0 HB3 GLN A 116 -24.262 7.986 0.505 1.00 0.70 H new ATOM 0 HG2 GLN A 116 -27.212 7.993 -0.147 1.00 0.77 H new ATOM 0 HG3 GLN A 116 -26.515 9.222 0.889 1.00 0.77 H new ATOM 0 HE21 GLN A 116 -25.050 10.754 0.043 1.00 0.92 H new ATOM 0 HE22 GLN A 116 -24.876 10.998 -1.698 1.00 0.92 H new ATOM 1582 N ASP A 117 -24.250 4.057 0.292 1.00 0.59 N ATOM 1583 CA ASP A 117 -23.167 3.151 0.670 1.00 0.58 C ATOM 1584 C ASP A 117 -22.077 3.169 -0.392 1.00 0.55 C ATOM 1585 O ASP A 117 -20.909 3.438 -0.101 1.00 0.53 O ATOM 1586 CB ASP A 117 -23.683 1.722 0.868 1.00 0.60 C ATOM 1587 CG ASP A 117 -23.974 1.400 2.323 1.00 0.62 C ATOM 1588 OD1 ASP A 117 -24.017 2.341 3.149 1.00 0.67 O ATOM 1589 OD2 ASP A 117 -24.170 0.208 2.652 1.00 0.64 O ATOM 0 H ASP A 117 -25.148 3.601 0.127 1.00 0.59 H new ATOM 0 HA ASP A 117 -22.753 3.496 1.617 1.00 0.58 H new ATOM 0 HB2 ASP A 117 -24.591 1.583 0.281 1.00 0.60 H new ATOM 0 HB3 ASP A 117 -22.945 1.017 0.485 1.00 0.60 H new ATOM 1594 N GLU A 118 -22.479 2.922 -1.631 1.00 0.56 N ATOM 1595 CA GLU A 118 -21.548 2.917 -2.749 1.00 0.56 C ATOM 1596 C GLU A 118 -21.003 4.316 -3.010 1.00 0.55 C ATOM 1597 O GLU A 118 -19.835 4.478 -3.356 1.00 0.55 O ATOM 1598 CB GLU A 118 -22.232 2.374 -3.999 1.00 0.59 C ATOM 1599 CG GLU A 118 -22.279 0.857 -4.040 1.00 0.62 C ATOM 1600 CD GLU A 118 -20.897 0.242 -4.040 1.00 0.64 C ATOM 1601 OE1 GLU A 118 -20.115 0.536 -4.971 1.00 0.85 O ATOM 1602 OE2 GLU A 118 -20.583 -0.542 -3.115 1.00 0.70 O ATOM 0 H GLU A 118 -23.446 2.722 -1.887 1.00 0.56 H new ATOM 0 HA GLU A 118 -20.710 2.269 -2.494 1.00 0.56 H new ATOM 0 HB2 GLU A 118 -23.248 2.765 -4.049 1.00 0.59 H new ATOM 0 HB3 GLU A 118 -21.707 2.739 -4.881 1.00 0.59 H new ATOM 0 HG2 GLU A 118 -22.838 0.489 -3.180 1.00 0.62 H new ATOM 0 HG3 GLU A 118 -22.818 0.536 -4.932 1.00 0.62 H new ATOM 1609 N GLU A 119 -21.857 5.323 -2.841 1.00 0.57 N ATOM 1610 CA GLU A 119 -21.462 6.715 -3.041 1.00 0.59 C ATOM 1611 C GLU A 119 -20.297 7.073 -2.129 1.00 0.56 C ATOM 1612 O GLU A 119 -19.301 7.643 -2.574 1.00 0.57 O ATOM 1613 CB GLU A 119 -22.639 7.651 -2.757 1.00 0.64 C ATOM 1614 CG GLU A 119 -22.308 9.122 -2.945 1.00 0.71 C ATOM 1615 CD GLU A 119 -22.175 9.506 -4.404 1.00 0.84 C ATOM 1616 OE1 GLU A 119 -23.170 9.360 -5.150 1.00 1.12 O ATOM 1617 OE2 GLU A 119 -21.088 9.972 -4.808 1.00 1.25 O ATOM 0 H GLU A 119 -22.831 5.200 -2.565 1.00 0.57 H new ATOM 0 HA GLU A 119 -21.153 6.835 -4.079 1.00 0.59 H new ATOM 0 HB2 GLU A 119 -23.468 7.387 -3.414 1.00 0.64 H new ATOM 0 HB3 GLU A 119 -22.980 7.492 -1.734 1.00 0.64 H new ATOM 0 HG2 GLU A 119 -23.087 9.728 -2.483 1.00 0.71 H new ATOM 0 HG3 GLU A 119 -21.377 9.351 -2.426 1.00 0.71 H new ATOM 1624 N HIS A 120 -20.423 6.720 -0.854 1.00 0.55 N ATOM 1625 CA HIS A 120 -19.377 7.002 0.121 1.00 0.54 C ATOM 1626 C HIS A 120 -18.091 6.285 -0.266 1.00 0.51 C ATOM 1627 O HIS A 120 -17.012 6.866 -0.203 1.00 0.52 O ATOM 1628 CB HIS A 120 -19.814 6.588 1.531 1.00 0.55 C ATOM 1629 CG HIS A 120 -20.761 7.556 2.177 1.00 0.59 C ATOM 1630 ND1 HIS A 120 -21.908 7.165 2.840 1.00 0.64 N ATOM 1631 CD2 HIS A 120 -20.725 8.907 2.260 1.00 0.71 C ATOM 1632 CE1 HIS A 120 -22.531 8.233 3.303 1.00 0.68 C ATOM 1633 NE2 HIS A 120 -21.836 9.300 2.964 1.00 0.74 N ATOM 0 H HIS A 120 -21.238 6.239 -0.473 1.00 0.55 H new ATOM 0 HA HIS A 120 -19.195 8.077 0.125 1.00 0.54 H new ATOM 0 HB2 HIS A 120 -20.288 5.608 1.482 1.00 0.55 H new ATOM 0 HB3 HIS A 120 -18.930 6.484 2.160 1.00 0.55 H new ATOM 0 HD2 HIS A 120 -19.964 9.554 1.849 1.00 0.71 H new ATOM 0 HE1 HIS A 120 -23.454 8.232 3.864 1.00 0.68 H new ATOM 0 HE2 HIS A 120 -22.084 10.264 3.189 1.00 0.74 H new ATOM 1642 N CYS A 121 -18.224 5.031 -0.689 1.00 0.49 N ATOM 1643 CA CYS A 121 -17.079 4.229 -1.110 1.00 0.48 C ATOM 1644 C CYS A 121 -16.370 4.887 -2.291 1.00 0.48 C ATOM 1645 O CYS A 121 -15.143 5.028 -2.298 1.00 0.47 O ATOM 1646 CB CYS A 121 -17.538 2.821 -1.506 1.00 0.49 C ATOM 1647 SG CYS A 121 -16.246 1.780 -2.228 1.00 0.48 S ATOM 0 H CYS A 121 -19.119 4.546 -0.749 1.00 0.49 H new ATOM 0 HA CYS A 121 -16.383 4.159 -0.274 1.00 0.48 H new ATOM 0 HB2 CYS A 121 -17.937 2.322 -0.623 1.00 0.49 H new ATOM 0 HB3 CYS A 121 -18.357 2.908 -2.220 1.00 0.49 H new ATOM 0 HG CYS A 121 -15.266 1.655 -1.383 1.00 0.48 H new ATOM 1653 N ARG A 122 -17.158 5.300 -3.278 1.00 0.51 N ATOM 1654 CA ARG A 122 -16.634 5.944 -4.472 1.00 0.54 C ATOM 1655 C ARG A 122 -15.917 7.242 -4.119 1.00 0.53 C ATOM 1656 O ARG A 122 -14.778 7.455 -4.529 1.00 0.54 O ATOM 1657 CB ARG A 122 -17.765 6.229 -5.459 1.00 0.59 C ATOM 1658 CG ARG A 122 -17.281 6.763 -6.794 1.00 0.85 C ATOM 1659 CD ARG A 122 -18.444 7.107 -7.706 1.00 0.89 C ATOM 1660 NE ARG A 122 -19.347 5.975 -7.908 1.00 1.09 N ATOM 1661 CZ ARG A 122 -20.503 6.061 -8.564 1.00 0.97 C ATOM 1662 NH1 ARG A 122 -20.886 7.220 -9.081 1.00 1.44 N ATOM 1663 NH2 ARG A 122 -21.276 4.990 -8.694 1.00 1.52 N ATOM 0 H ARG A 122 -18.173 5.197 -3.271 1.00 0.51 H new ATOM 0 HA ARG A 122 -15.917 5.266 -4.935 1.00 0.54 H new ATOM 0 HB2 ARG A 122 -18.330 5.312 -5.626 1.00 0.59 H new ATOM 0 HB3 ARG A 122 -18.451 6.950 -5.015 1.00 0.59 H new ATOM 0 HG2 ARG A 122 -16.668 7.650 -6.633 1.00 0.85 H new ATOM 0 HG3 ARG A 122 -16.646 6.020 -7.276 1.00 0.85 H new ATOM 0 HD2 ARG A 122 -19.001 7.942 -7.281 1.00 0.89 H new ATOM 0 HD3 ARG A 122 -18.060 7.439 -8.671 1.00 0.89 H new ATOM 0 HE ARG A 122 -19.077 5.069 -7.525 1.00 1.09 H new ATOM 0 HH11 ARG A 122 -20.296 8.045 -8.976 1.00 1.44 H new ATOM 0 HH12 ARG A 122 -21.771 7.287 -9.584 1.00 1.44 H new ATOM 0 HH21 ARG A 122 -20.985 4.099 -8.291 1.00 1.52 H new ATOM 0 HH22 ARG A 122 -22.161 5.058 -9.197 1.00 1.52 H new ATOM 1677 N LYS A 123 -16.584 8.090 -3.338 1.00 0.53 N ATOM 1678 CA LYS A 123 -16.015 9.373 -2.928 1.00 0.53 C ATOM 1679 C LYS A 123 -14.665 9.182 -2.242 1.00 0.51 C ATOM 1680 O LYS A 123 -13.733 9.958 -2.460 1.00 0.53 O ATOM 1681 CB LYS A 123 -16.972 10.122 -2.001 1.00 0.56 C ATOM 1682 CG LYS A 123 -18.148 10.749 -2.730 1.00 0.63 C ATOM 1683 CD LYS A 123 -18.780 11.852 -1.900 1.00 0.73 C ATOM 1684 CE LYS A 123 -19.841 12.606 -2.682 1.00 0.85 C ATOM 1685 NZ LYS A 123 -20.285 13.828 -1.961 1.00 1.12 N ATOM 0 H LYS A 123 -17.521 7.911 -2.976 1.00 0.53 H new ATOM 0 HA LYS A 123 -15.863 9.968 -3.828 1.00 0.53 H new ATOM 0 HB2 LYS A 123 -17.348 9.433 -1.245 1.00 0.56 H new ATOM 0 HB3 LYS A 123 -16.421 10.902 -1.476 1.00 0.56 H new ATOM 0 HG2 LYS A 123 -17.814 11.154 -3.685 1.00 0.63 H new ATOM 0 HG3 LYS A 123 -18.892 9.984 -2.951 1.00 0.63 H new ATOM 0 HD2 LYS A 123 -19.226 11.422 -1.003 1.00 0.73 H new ATOM 0 HD3 LYS A 123 -18.008 12.547 -1.571 1.00 0.73 H new ATOM 0 HE2 LYS A 123 -19.446 12.883 -3.660 1.00 0.85 H new ATOM 0 HE3 LYS A 123 -20.697 11.954 -2.857 1.00 0.85 H new ATOM 0 HZ1 LYS A 123 -21.010 14.319 -2.523 1.00 1.12 H new ATOM 0 HZ2 LYS A 123 -20.684 13.561 -1.039 1.00 1.12 H new ATOM 0 HZ3 LYS A 123 -19.472 14.460 -1.816 1.00 1.12 H new ATOM 1699 N VAL A 124 -14.563 8.149 -1.417 1.00 0.48 N ATOM 1700 CA VAL A 124 -13.317 7.854 -0.728 1.00 0.46 C ATOM 1701 C VAL A 124 -12.221 7.554 -1.750 1.00 0.45 C ATOM 1702 O VAL A 124 -11.163 8.184 -1.740 1.00 0.45 O ATOM 1703 CB VAL A 124 -13.467 6.665 0.252 1.00 0.45 C ATOM 1704 CG1 VAL A 124 -12.121 6.256 0.834 1.00 0.43 C ATOM 1705 CG2 VAL A 124 -14.431 7.023 1.370 1.00 0.50 C ATOM 0 H VAL A 124 -15.326 7.504 -1.210 1.00 0.48 H new ATOM 0 HA VAL A 124 -13.044 8.731 -0.141 1.00 0.46 H new ATOM 0 HB VAL A 124 -13.866 5.818 -0.307 1.00 0.45 H new ATOM 0 HG11 VAL A 124 -12.260 5.419 1.518 1.00 0.43 H new ATOM 0 HG12 VAL A 124 -11.451 5.958 0.027 1.00 0.43 H new ATOM 0 HG13 VAL A 124 -11.687 7.098 1.374 1.00 0.43 H new ATOM 0 HG21 VAL A 124 -14.527 6.178 2.052 1.00 0.50 H new ATOM 0 HG22 VAL A 124 -14.052 7.888 1.915 1.00 0.50 H new ATOM 0 HG23 VAL A 124 -15.407 7.261 0.947 1.00 0.50 H new ATOM 1715 N ASN A 125 -12.513 6.626 -2.658 1.00 0.46 N ATOM 1716 CA ASN A 125 -11.567 6.226 -3.701 1.00 0.48 C ATOM 1717 C ASN A 125 -11.144 7.413 -4.559 1.00 0.49 C ATOM 1718 O ASN A 125 -9.965 7.567 -4.887 1.00 0.52 O ATOM 1719 CB ASN A 125 -12.190 5.153 -4.601 1.00 0.50 C ATOM 1720 CG ASN A 125 -11.779 3.744 -4.218 1.00 0.51 C ATOM 1721 OD1 ASN A 125 -10.624 3.483 -3.873 1.00 0.69 O ATOM 1722 ND2 ASN A 125 -12.723 2.818 -4.287 1.00 0.77 N ATOM 0 H ASN A 125 -13.405 6.132 -2.693 1.00 0.46 H new ATOM 0 HA ASN A 125 -10.684 5.825 -3.203 1.00 0.48 H new ATOM 0 HB2 ASN A 125 -13.276 5.234 -4.554 1.00 0.50 H new ATOM 0 HB3 ASN A 125 -11.900 5.341 -5.635 1.00 0.50 H new ATOM 0 HD21 ASN A 125 -12.506 1.850 -4.050 1.00 0.77 H new ATOM 0 HD22 ASN A 125 -13.667 3.073 -4.577 1.00 0.77 H new ATOM 1729 N GLU A 126 -12.107 8.249 -4.919 1.00 0.52 N ATOM 1730 CA GLU A 126 -11.847 9.414 -5.758 1.00 0.56 C ATOM 1731 C GLU A 126 -10.819 10.350 -5.131 1.00 0.55 C ATOM 1732 O GLU A 126 -9.791 10.643 -5.735 1.00 0.64 O ATOM 1733 CB GLU A 126 -13.148 10.173 -6.025 1.00 0.64 C ATOM 1734 CG GLU A 126 -14.158 9.372 -6.833 1.00 0.76 C ATOM 1735 CD GLU A 126 -15.446 10.124 -7.099 1.00 0.91 C ATOM 1736 OE1 GLU A 126 -16.031 10.686 -6.147 1.00 1.30 O ATOM 1737 OE2 GLU A 126 -15.887 10.146 -8.270 1.00 1.27 O ATOM 0 H GLU A 126 -13.083 8.142 -4.642 1.00 0.52 H new ATOM 0 HA GLU A 126 -11.435 9.052 -6.700 1.00 0.56 H new ATOM 0 HB2 GLU A 126 -13.597 10.456 -5.073 1.00 0.64 H new ATOM 0 HB3 GLU A 126 -12.919 11.097 -6.556 1.00 0.64 H new ATOM 0 HG2 GLU A 126 -13.708 9.088 -7.784 1.00 0.76 H new ATOM 0 HG3 GLU A 126 -14.388 8.449 -6.301 1.00 0.76 H new ATOM 1744 N TYR A 127 -11.087 10.787 -3.910 1.00 0.53 N ATOM 1745 CA TYR A 127 -10.203 11.720 -3.211 1.00 0.55 C ATOM 1746 C TYR A 127 -8.853 11.094 -2.853 1.00 0.52 C ATOM 1747 O TYR A 127 -7.823 11.766 -2.907 1.00 0.60 O ATOM 1748 CB TYR A 127 -10.876 12.233 -1.937 1.00 0.59 C ATOM 1749 CG TYR A 127 -11.960 13.261 -2.168 1.00 0.62 C ATOM 1750 CD1 TYR A 127 -13.201 12.887 -2.664 1.00 0.69 C ATOM 1751 CD2 TYR A 127 -11.750 14.602 -1.877 1.00 0.73 C ATOM 1752 CE1 TYR A 127 -14.199 13.816 -2.867 1.00 0.74 C ATOM 1753 CE2 TYR A 127 -12.747 15.539 -2.073 1.00 0.79 C ATOM 1754 CZ TYR A 127 -13.967 15.140 -2.567 1.00 0.74 C ATOM 1755 OH TYR A 127 -14.962 16.067 -2.760 1.00 0.84 O ATOM 0 H TYR A 127 -11.912 10.512 -3.377 1.00 0.53 H new ATOM 0 HA TYR A 127 -10.014 12.547 -3.896 1.00 0.55 H new ATOM 0 HB2 TYR A 127 -11.305 11.386 -1.402 1.00 0.59 H new ATOM 0 HB3 TYR A 127 -10.114 12.667 -1.289 1.00 0.59 H new ATOM 0 HD1 TYR A 127 -13.388 11.849 -2.895 1.00 0.69 H new ATOM 0 HD2 TYR A 127 -10.792 14.918 -1.491 1.00 0.73 H new ATOM 0 HE1 TYR A 127 -15.157 13.507 -3.259 1.00 0.74 H new ATOM 0 HE2 TYR A 127 -12.569 16.578 -1.840 1.00 0.79 H new ATOM 0 HH TYR A 127 -14.638 16.954 -2.499 1.00 0.84 H new ATOM 1765 N LEU A 128 -8.853 9.817 -2.492 1.00 0.49 N ATOM 1766 CA LEU A 128 -7.619 9.134 -2.103 1.00 0.49 C ATOM 1767 C LEU A 128 -6.640 9.000 -3.267 1.00 0.53 C ATOM 1768 O LEU A 128 -5.425 9.089 -3.074 1.00 0.69 O ATOM 1769 CB LEU A 128 -7.924 7.745 -1.530 1.00 0.46 C ATOM 1770 CG LEU A 128 -8.729 7.718 -0.225 1.00 0.42 C ATOM 1771 CD1 LEU A 128 -8.646 6.342 0.417 1.00 0.49 C ATOM 1772 CD2 LEU A 128 -8.251 8.795 0.739 1.00 0.44 C ATOM 0 H LEU A 128 -9.688 9.233 -2.459 1.00 0.49 H new ATOM 0 HA LEU A 128 -7.149 9.751 -1.337 1.00 0.49 H new ATOM 0 HB2 LEU A 128 -8.470 7.175 -2.282 1.00 0.46 H new ATOM 0 HB3 LEU A 128 -6.979 7.228 -1.362 1.00 0.46 H new ATOM 0 HG LEU A 128 -9.772 7.928 -0.464 1.00 0.42 H new ATOM 0 HD11 LEU A 128 -9.222 6.337 1.342 1.00 0.49 H new ATOM 0 HD12 LEU A 128 -9.052 5.596 -0.267 1.00 0.49 H new ATOM 0 HD13 LEU A 128 -7.605 6.105 0.636 1.00 0.49 H new ATOM 0 HD21 LEU A 128 -8.840 8.751 1.655 1.00 0.44 H new ATOM 0 HD22 LEU A 128 -7.200 8.631 0.976 1.00 0.44 H new ATOM 0 HD23 LEU A 128 -8.370 9.775 0.278 1.00 0.44 H new ATOM 1784 N ASN A 129 -7.158 8.795 -4.471 1.00 0.54 N ATOM 1785 CA ASN A 129 -6.297 8.628 -5.638 1.00 0.59 C ATOM 1786 C ASN A 129 -6.150 9.916 -6.447 1.00 0.65 C ATOM 1787 O ASN A 129 -5.203 10.059 -7.222 1.00 0.78 O ATOM 1788 CB ASN A 129 -6.824 7.504 -6.530 1.00 0.64 C ATOM 1789 CG ASN A 129 -5.974 6.247 -6.447 1.00 0.68 C ATOM 1790 OD1 ASN A 129 -4.744 6.308 -6.372 1.00 0.81 O ATOM 1791 ND2 ASN A 129 -6.623 5.092 -6.456 1.00 0.89 N ATOM 0 H ASN A 129 -8.158 8.741 -4.666 1.00 0.54 H new ATOM 0 HA ASN A 129 -5.306 8.366 -5.267 1.00 0.59 H new ATOM 0 HB2 ASN A 129 -7.848 7.266 -6.242 1.00 0.64 H new ATOM 0 HB3 ASN A 129 -6.856 7.849 -7.563 1.00 0.64 H new ATOM 0 HD21 ASN A 129 -6.105 4.215 -6.400 1.00 0.89 H new ATOM 0 HD22 ASN A 129 -7.641 5.079 -6.519 1.00 0.89 H new ATOM 1798 N ASN A 130 -7.075 10.851 -6.277 1.00 0.67 N ATOM 1799 CA ASN A 130 -7.013 12.112 -7.010 1.00 0.74 C ATOM 1800 C ASN A 130 -6.956 13.285 -6.045 1.00 0.80 C ATOM 1801 O ASN A 130 -7.968 14.001 -5.909 1.00 0.99 O ATOM 1802 CB ASN A 130 -8.216 12.270 -7.950 1.00 0.82 C ATOM 1803 CG ASN A 130 -8.352 11.130 -8.940 1.00 0.91 C ATOM 1804 OD1 ASN A 130 -7.710 11.118 -9.995 1.00 1.10 O ATOM 1805 ND2 ASN A 130 -9.191 10.162 -8.609 1.00 1.09 N ATOM 0 H ASN A 130 -7.871 10.764 -5.645 1.00 0.67 H new ATOM 0 HA ASN A 130 -6.105 12.099 -7.614 1.00 0.74 H new ATOM 0 HB2 ASN A 130 -9.127 12.338 -7.356 1.00 0.82 H new ATOM 0 HB3 ASN A 130 -8.122 13.208 -8.496 1.00 0.82 H new ATOM 0 HD21 ASN A 130 -9.326 9.368 -9.235 1.00 1.09 H new ATOM 0 HD22 ASN A 130 -9.703 10.210 -7.728 1.00 1.09 H new TER 1812 ASN A 130 ATOM 1813 N ALA B 26 37.423 -8.202 7.563 1.00 1.24 N ATOM 1814 CA ALA B 26 36.479 -7.208 8.122 1.00 1.15 C ATOM 1815 C ALA B 26 35.073 -7.410 7.566 1.00 1.06 C ATOM 1816 O ALA B 26 34.754 -6.927 6.478 1.00 1.08 O ATOM 1817 CB ALA B 26 36.959 -5.794 7.828 1.00 1.27 C ATOM 0 HA ALA B 26 36.443 -7.353 9.202 1.00 1.15 H new ATOM 0 HB1 ALA B 26 36.253 -5.076 8.246 1.00 1.27 H new ATOM 0 HB2 ALA B 26 37.940 -5.642 8.277 1.00 1.27 H new ATOM 0 HB3 ALA B 26 37.028 -5.650 6.750 1.00 1.27 H new ATOM 1825 N PRO B 27 34.220 -8.150 8.289 1.00 1.03 N ATOM 1826 CA PRO B 27 32.845 -8.405 7.872 1.00 0.98 C ATOM 1827 C PRO B 27 31.939 -7.207 8.153 1.00 0.96 C ATOM 1828 O PRO B 27 31.739 -6.818 9.305 1.00 1.05 O ATOM 1829 CB PRO B 27 32.418 -9.615 8.724 1.00 1.03 C ATOM 1830 CG PRO B 27 33.609 -10.000 9.544 1.00 1.15 C ATOM 1831 CD PRO B 27 34.523 -8.810 9.561 1.00 1.12 C ATOM 0 HA PRO B 27 32.769 -8.586 6.800 1.00 0.98 H new ATOM 0 HB2 PRO B 27 31.573 -9.360 9.364 1.00 1.03 H new ATOM 0 HB3 PRO B 27 32.100 -10.443 8.090 1.00 1.03 H new ATOM 0 HG2 PRO B 27 33.310 -10.273 10.556 1.00 1.15 H new ATOM 0 HG3 PRO B 27 34.111 -10.867 9.115 1.00 1.15 H new ATOM 0 HD2 PRO B 27 34.324 -8.159 10.412 1.00 1.12 H new ATOM 0 HD3 PRO B 27 35.570 -9.105 9.624 1.00 1.12 H new ATOM 1839 N ALA B 28 31.396 -6.623 7.099 1.00 0.95 N ATOM 1840 CA ALA B 28 30.515 -5.472 7.235 1.00 0.96 C ATOM 1841 C ALA B 28 29.061 -5.876 7.028 1.00 0.90 C ATOM 1842 O ALA B 28 28.236 -5.059 6.624 1.00 0.88 O ATOM 1843 CB ALA B 28 30.914 -4.388 6.242 1.00 1.04 C ATOM 0 H ALA B 28 31.549 -6.926 6.137 1.00 0.95 H new ATOM 0 HA ALA B 28 30.615 -5.077 8.246 1.00 0.96 H new ATOM 0 HB1 ALA B 28 30.249 -3.531 6.352 1.00 1.04 H new ATOM 0 HB2 ALA B 28 31.941 -4.077 6.435 1.00 1.04 H new ATOM 0 HB3 ALA B 28 30.838 -4.778 5.227 1.00 1.04 H new ATOM 1849 N GLU B 29 28.766 -7.146 7.319 1.00 0.93 N ATOM 1850 CA GLU B 29 27.419 -7.706 7.170 1.00 0.90 C ATOM 1851 C GLU B 29 26.929 -7.582 5.729 1.00 0.85 C ATOM 1852 O GLU B 29 26.291 -6.596 5.359 1.00 0.82 O ATOM 1853 CB GLU B 29 26.434 -7.037 8.132 1.00 0.91 C ATOM 1854 CG GLU B 29 26.749 -7.309 9.592 1.00 1.14 C ATOM 1855 CD GLU B 29 25.559 -7.093 10.504 1.00 1.10 C ATOM 1856 OE1 GLU B 29 24.628 -7.929 10.483 1.00 1.29 O ATOM 1857 OE2 GLU B 29 25.558 -6.093 11.257 1.00 1.30 O ATOM 0 H GLU B 29 29.454 -7.815 7.665 1.00 0.93 H new ATOM 0 HA GLU B 29 27.473 -8.765 7.421 1.00 0.90 H new ATOM 0 HB2 GLU B 29 26.441 -5.961 7.959 1.00 0.91 H new ATOM 0 HB3 GLU B 29 25.426 -7.388 7.913 1.00 0.91 H new ATOM 0 HG2 GLU B 29 27.099 -8.336 9.697 1.00 1.14 H new ATOM 0 HG3 GLU B 29 27.565 -6.660 9.909 1.00 1.14 H new ATOM 1864 N PRO B 30 27.215 -8.596 4.898 1.00 0.88 N ATOM 1865 CA PRO B 30 26.829 -8.608 3.482 1.00 0.88 C ATOM 1866 C PRO B 30 25.350 -8.926 3.261 1.00 0.82 C ATOM 1867 O PRO B 30 24.978 -9.530 2.253 1.00 0.85 O ATOM 1868 CB PRO B 30 27.704 -9.715 2.873 1.00 1.00 C ATOM 1869 CG PRO B 30 28.607 -10.192 3.964 1.00 1.07 C ATOM 1870 CD PRO B 30 27.950 -9.813 5.259 1.00 0.98 C ATOM 0 HA PRO B 30 26.973 -7.627 3.030 1.00 0.88 H new ATOM 0 HB2 PRO B 30 27.089 -10.531 2.494 1.00 1.00 H new ATOM 0 HB3 PRO B 30 28.281 -9.334 2.031 1.00 1.00 H new ATOM 0 HG2 PRO B 30 28.752 -11.271 3.904 1.00 1.07 H new ATOM 0 HG3 PRO B 30 29.592 -9.733 3.880 1.00 1.07 H new ATOM 0 HD2 PRO B 30 27.284 -10.597 5.621 1.00 0.98 H new ATOM 0 HD3 PRO B 30 28.681 -9.627 6.046 1.00 0.98 H new ATOM 1878 N LYS B 31 24.509 -8.512 4.196 1.00 0.78 N ATOM 1879 CA LYS B 31 23.080 -8.744 4.085 1.00 0.74 C ATOM 1880 C LYS B 31 22.460 -7.661 3.224 1.00 0.69 C ATOM 1881 O LYS B 31 22.099 -6.596 3.717 1.00 0.73 O ATOM 1882 CB LYS B 31 22.411 -8.767 5.462 1.00 0.76 C ATOM 1883 CG LYS B 31 22.799 -9.967 6.309 1.00 0.92 C ATOM 1884 CD LYS B 31 21.609 -10.498 7.096 1.00 1.11 C ATOM 1885 CE LYS B 31 20.659 -11.302 6.216 1.00 1.32 C ATOM 1886 NZ LYS B 31 21.219 -12.636 5.866 1.00 1.45 N ATOM 0 H LYS B 31 24.793 -8.014 5.040 1.00 0.78 H new ATOM 0 HA LYS B 31 22.923 -9.718 3.622 1.00 0.74 H new ATOM 0 HB2 LYS B 31 22.672 -7.855 5.998 1.00 0.76 H new ATOM 0 HB3 LYS B 31 21.329 -8.761 5.331 1.00 0.76 H new ATOM 0 HG2 LYS B 31 23.194 -10.755 5.668 1.00 0.92 H new ATOM 0 HG3 LYS B 31 23.596 -9.686 6.997 1.00 0.92 H new ATOM 0 HD2 LYS B 31 21.965 -11.125 7.913 1.00 1.11 H new ATOM 0 HD3 LYS B 31 21.070 -9.664 7.545 1.00 1.11 H new ATOM 0 HE2 LYS B 31 19.708 -11.432 6.733 1.00 1.32 H new ATOM 0 HE3 LYS B 31 20.452 -10.745 5.303 1.00 1.32 H new ATOM 0 HZ1 LYS B 31 20.482 -13.214 5.414 1.00 1.45 H new ATOM 0 HZ2 LYS B 31 22.017 -12.516 5.209 1.00 1.45 H new ATOM 0 HZ3 LYS B 31 21.550 -13.111 6.730 1.00 1.45 H new ATOM 1900 N ILE B 32 22.359 -7.929 1.937 1.00 0.68 N ATOM 1901 CA ILE B 32 21.803 -6.969 1.004 1.00 0.66 C ATOM 1902 C ILE B 32 20.304 -7.187 0.837 1.00 0.62 C ATOM 1903 O ILE B 32 19.876 -8.200 0.280 1.00 0.67 O ATOM 1904 CB ILE B 32 22.494 -7.056 -0.371 1.00 0.71 C ATOM 1905 CG1 ILE B 32 24.011 -7.203 -0.200 1.00 0.88 C ATOM 1906 CG2 ILE B 32 22.171 -5.821 -1.193 1.00 0.80 C ATOM 1907 CD1 ILE B 32 24.703 -7.798 -1.408 1.00 1.20 C ATOM 0 H ILE B 32 22.656 -8.807 1.512 1.00 0.68 H new ATOM 0 HA ILE B 32 21.978 -5.975 1.417 1.00 0.66 H new ATOM 0 HB ILE B 32 22.121 -7.935 -0.896 1.00 0.71 H new ATOM 0 HG12 ILE B 32 24.441 -6.223 0.009 1.00 0.88 H new ATOM 0 HG13 ILE B 32 24.211 -7.831 0.668 1.00 0.88 H new ATOM 0 HG21 ILE B 32 22.663 -5.891 -2.163 1.00 0.80 H new ATOM 0 HG22 ILE B 32 21.093 -5.752 -1.337 1.00 0.80 H new ATOM 0 HG23 ILE B 32 22.525 -4.933 -0.670 1.00 0.80 H new ATOM 0 HD11 ILE B 32 25.773 -7.872 -1.215 1.00 1.20 H new ATOM 0 HD12 ILE B 32 24.301 -8.792 -1.605 1.00 1.20 H new ATOM 0 HD13 ILE B 32 24.534 -7.160 -2.275 1.00 1.20 H new ATOM 1919 N ILE B 33 19.516 -6.239 1.324 1.00 0.58 N ATOM 1920 CA ILE B 33 18.065 -6.325 1.226 1.00 0.56 C ATOM 1921 C ILE B 33 17.567 -5.551 0.012 1.00 0.54 C ATOM 1922 O ILE B 33 18.201 -4.585 -0.427 1.00 0.60 O ATOM 1923 CB ILE B 33 17.361 -5.792 2.497 1.00 0.56 C ATOM 1924 CG1 ILE B 33 17.834 -4.372 2.829 1.00 0.59 C ATOM 1925 CG2 ILE B 33 17.609 -6.730 3.668 1.00 0.67 C ATOM 1926 CD1 ILE B 33 17.105 -3.740 3.999 1.00 0.67 C ATOM 0 H ILE B 33 19.858 -5.400 1.792 1.00 0.58 H new ATOM 0 HA ILE B 33 17.817 -7.381 1.120 1.00 0.56 H new ATOM 0 HB ILE B 33 16.289 -5.752 2.306 1.00 0.56 H new ATOM 0 HG12 ILE B 33 18.901 -4.397 3.049 1.00 0.59 H new ATOM 0 HG13 ILE B 33 17.705 -3.741 1.949 1.00 0.59 H new ATOM 0 HG21 ILE B 33 17.108 -6.344 4.556 1.00 0.67 H new ATOM 0 HG22 ILE B 33 17.216 -7.719 3.431 1.00 0.67 H new ATOM 0 HG23 ILE B 33 18.680 -6.801 3.857 1.00 0.67 H new ATOM 0 HD11 ILE B 33 17.495 -2.737 4.172 1.00 0.67 H new ATOM 0 HD12 ILE B 33 16.040 -3.681 3.775 1.00 0.67 H new ATOM 0 HD13 ILE B 33 17.255 -4.347 4.892 1.00 0.67 H new ATOM 1938 N LYS B 34 16.434 -5.977 -0.530 1.00 0.53 N ATOM 1939 CA LYS B 34 15.858 -5.329 -1.701 1.00 0.53 C ATOM 1940 C LYS B 34 14.743 -4.374 -1.306 1.00 0.48 C ATOM 1941 O LYS B 34 13.942 -4.668 -0.420 1.00 0.57 O ATOM 1942 CB LYS B 34 15.322 -6.370 -2.680 1.00 0.58 C ATOM 1943 CG LYS B 34 16.402 -7.021 -3.528 1.00 0.76 C ATOM 1944 CD LYS B 34 15.805 -7.988 -4.534 1.00 0.87 C ATOM 1945 CE LYS B 34 16.778 -8.306 -5.658 1.00 1.07 C ATOM 1946 NZ LYS B 34 17.985 -9.028 -5.171 1.00 1.31 N ATOM 0 H LYS B 34 15.895 -6.768 -0.178 1.00 0.53 H new ATOM 0 HA LYS B 34 16.649 -4.757 -2.185 1.00 0.53 H new ATOM 0 HB2 LYS B 34 14.794 -7.144 -2.122 1.00 0.58 H new ATOM 0 HB3 LYS B 34 14.592 -5.897 -3.337 1.00 0.58 H new ATOM 0 HG2 LYS B 34 16.969 -6.252 -4.052 1.00 0.76 H new ATOM 0 HG3 LYS B 34 17.104 -7.551 -2.883 1.00 0.76 H new ATOM 0 HD2 LYS B 34 15.521 -8.910 -4.027 1.00 0.87 H new ATOM 0 HD3 LYS B 34 14.894 -7.561 -4.952 1.00 0.87 H new ATOM 0 HE2 LYS B 34 16.274 -8.911 -6.412 1.00 1.07 H new ATOM 0 HE3 LYS B 34 17.083 -7.380 -6.145 1.00 1.07 H new ATOM 0 HZ1 LYS B 34 18.619 -9.223 -5.972 1.00 1.31 H new ATOM 0 HZ2 LYS B 34 18.482 -8.441 -4.471 1.00 1.31 H new ATOM 0 HZ3 LYS B 34 17.698 -9.925 -4.729 1.00 1.31 H new ATOM 1960 N VAL B 35 14.705 -3.228 -1.967 1.00 0.44 N ATOM 1961 CA VAL B 35 13.690 -2.226 -1.704 1.00 0.41 C ATOM 1962 C VAL B 35 13.021 -1.789 -3.008 1.00 0.42 C ATOM 1963 O VAL B 35 13.656 -1.181 -3.876 1.00 0.45 O ATOM 1964 CB VAL B 35 14.283 -1.001 -0.956 1.00 0.40 C ATOM 1965 CG1 VAL B 35 15.610 -0.568 -1.568 1.00 0.42 C ATOM 1966 CG2 VAL B 35 13.297 0.162 -0.935 1.00 0.40 C ATOM 0 H VAL B 35 15.372 -2.970 -2.694 1.00 0.44 H new ATOM 0 HA VAL B 35 12.936 -2.675 -1.058 1.00 0.41 H new ATOM 0 HB VAL B 35 14.470 -1.306 0.073 1.00 0.40 H new ATOM 0 HG11 VAL B 35 15.999 0.291 -1.022 1.00 0.42 H new ATOM 0 HG12 VAL B 35 16.324 -1.390 -1.508 1.00 0.42 H new ATOM 0 HG13 VAL B 35 15.457 -0.296 -2.612 1.00 0.42 H new ATOM 0 HG21 VAL B 35 13.740 1.005 -0.405 1.00 0.40 H new ATOM 0 HG22 VAL B 35 13.063 0.459 -1.957 1.00 0.40 H new ATOM 0 HG23 VAL B 35 12.382 -0.145 -0.428 1.00 0.40 H new ATOM 1976 N THR B 36 11.745 -2.128 -3.149 1.00 0.41 N ATOM 1977 CA THR B 36 10.988 -1.772 -4.336 1.00 0.43 C ATOM 1978 C THR B 36 10.470 -0.344 -4.207 1.00 0.39 C ATOM 1979 O THR B 36 9.612 -0.058 -3.371 1.00 0.40 O ATOM 1980 CB THR B 36 9.806 -2.734 -4.543 1.00 0.48 C ATOM 1981 OG1 THR B 36 10.111 -4.010 -3.958 1.00 0.56 O ATOM 1982 CG2 THR B 36 9.511 -2.919 -6.021 1.00 0.57 C ATOM 0 H THR B 36 11.214 -2.651 -2.452 1.00 0.41 H new ATOM 0 HA THR B 36 11.649 -1.846 -5.200 1.00 0.43 H new ATOM 0 HB THR B 36 8.928 -2.305 -4.061 1.00 0.48 H new ATOM 0 HG1 THR B 36 10.972 -4.329 -4.300 1.00 0.56 H new ATOM 0 HG21 THR B 36 8.671 -3.603 -6.142 1.00 0.57 H new ATOM 0 HG22 THR B 36 9.261 -1.956 -6.465 1.00 0.57 H new ATOM 0 HG23 THR B 36 10.389 -3.331 -6.519 1.00 0.57 H new ATOM 1990 N VAL B 37 10.988 0.545 -5.041 1.00 0.41 N ATOM 1991 CA VAL B 37 10.610 1.947 -4.994 1.00 0.40 C ATOM 1992 C VAL B 37 9.643 2.323 -6.111 1.00 0.43 C ATOM 1993 O VAL B 37 9.929 2.140 -7.299 1.00 0.51 O ATOM 1994 CB VAL B 37 11.852 2.863 -5.079 1.00 0.46 C ATOM 1995 CG1 VAL B 37 11.474 4.313 -4.815 1.00 0.52 C ATOM 1996 CG2 VAL B 37 12.929 2.407 -4.105 1.00 0.46 C ATOM 0 H VAL B 37 11.674 0.318 -5.761 1.00 0.41 H new ATOM 0 HA VAL B 37 10.109 2.094 -4.037 1.00 0.40 H new ATOM 0 HB VAL B 37 12.253 2.792 -6.090 1.00 0.46 H new ATOM 0 HG11 VAL B 37 12.364 4.939 -4.880 1.00 0.52 H new ATOM 0 HG12 VAL B 37 10.746 4.640 -5.557 1.00 0.52 H new ATOM 0 HG13 VAL B 37 11.041 4.401 -3.818 1.00 0.52 H new ATOM 0 HG21 VAL B 37 13.793 3.067 -4.183 1.00 0.46 H new ATOM 0 HG22 VAL B 37 12.538 2.440 -3.088 1.00 0.46 H new ATOM 0 HG23 VAL B 37 13.229 1.387 -4.345 1.00 0.46 H new ATOM 2006 N LYS B 38 8.487 2.832 -5.706 1.00 0.41 N ATOM 2007 CA LYS B 38 7.467 3.295 -6.631 1.00 0.46 C ATOM 2008 C LYS B 38 7.733 4.761 -6.935 1.00 0.50 C ATOM 2009 O LYS B 38 7.951 5.555 -6.020 1.00 0.63 O ATOM 2010 CB LYS B 38 6.070 3.146 -6.020 1.00 0.51 C ATOM 2011 CG LYS B 38 5.434 1.778 -6.203 1.00 0.65 C ATOM 2012 CD LYS B 38 4.033 1.756 -5.606 1.00 0.80 C ATOM 2013 CE LYS B 38 3.252 0.523 -6.027 1.00 1.18 C ATOM 2014 NZ LYS B 38 1.818 0.623 -5.643 1.00 1.38 N ATOM 0 H LYS B 38 8.232 2.935 -4.724 1.00 0.41 H new ATOM 0 HA LYS B 38 7.505 2.698 -7.542 1.00 0.46 H new ATOM 0 HB2 LYS B 38 6.131 3.362 -4.953 1.00 0.51 H new ATOM 0 HB3 LYS B 38 5.415 3.897 -6.461 1.00 0.51 H new ATOM 0 HG2 LYS B 38 5.387 1.531 -7.264 1.00 0.65 H new ATOM 0 HG3 LYS B 38 6.051 1.017 -5.725 1.00 0.65 H new ATOM 0 HD2 LYS B 38 4.102 1.787 -4.519 1.00 0.80 H new ATOM 0 HD3 LYS B 38 3.493 2.650 -5.917 1.00 0.80 H new ATOM 0 HE2 LYS B 38 3.332 0.393 -7.106 1.00 1.18 H new ATOM 0 HE3 LYS B 38 3.692 -0.361 -5.566 1.00 1.18 H new ATOM 0 HZ1 LYS B 38 1.300 -0.196 -6.020 1.00 1.38 H new ATOM 0 HZ2 LYS B 38 1.736 0.637 -4.606 1.00 1.38 H new ATOM 0 HZ3 LYS B 38 1.414 1.498 -6.034 1.00 1.38 H new ATOM 2028 N THR B 39 7.696 5.130 -8.197 1.00 0.55 N ATOM 2029 CA THR B 39 7.980 6.503 -8.582 1.00 0.60 C ATOM 2030 C THR B 39 6.953 7.014 -9.577 1.00 0.65 C ATOM 2031 O THR B 39 6.190 6.226 -10.136 1.00 0.67 O ATOM 2032 CB THR B 39 9.391 6.613 -9.206 1.00 0.64 C ATOM 2033 OG1 THR B 39 9.665 5.467 -10.023 1.00 0.78 O ATOM 2034 CG2 THR B 39 10.456 6.736 -8.132 1.00 0.68 C ATOM 0 H THR B 39 7.474 4.506 -8.973 1.00 0.55 H new ATOM 0 HA THR B 39 7.934 7.113 -7.680 1.00 0.60 H new ATOM 0 HB THR B 39 9.413 7.512 -9.822 1.00 0.64 H new ATOM 0 HG1 THR B 39 8.827 5.002 -10.225 1.00 0.78 H new ATOM 0 HG21 THR B 39 11.438 6.812 -8.600 1.00 0.68 H new ATOM 0 HG22 THR B 39 10.269 7.628 -7.535 1.00 0.68 H new ATOM 0 HG23 THR B 39 10.427 5.856 -7.489 1.00 0.68 H new ATOM 2042 N PRO B 40 6.887 8.346 -9.782 1.00 0.71 N ATOM 2043 CA PRO B 40 5.972 8.950 -10.758 1.00 0.78 C ATOM 2044 C PRO B 40 6.451 8.674 -12.180 1.00 0.81 C ATOM 2045 O PRO B 40 6.590 9.585 -13.001 1.00 0.87 O ATOM 2046 CB PRO B 40 6.055 10.447 -10.440 1.00 0.83 C ATOM 2047 CG PRO B 40 7.391 10.637 -9.813 1.00 0.85 C ATOM 2048 CD PRO B 40 7.674 9.371 -9.057 1.00 0.73 C ATOM 0 HA PRO B 40 4.957 8.557 -10.697 1.00 0.78 H new ATOM 0 HB2 PRO B 40 5.955 11.048 -11.344 1.00 0.83 H new ATOM 0 HB3 PRO B 40 5.256 10.751 -9.764 1.00 0.83 H new ATOM 0 HG2 PRO B 40 8.155 10.820 -10.569 1.00 0.85 H new ATOM 0 HG3 PRO B 40 7.390 11.499 -9.146 1.00 0.85 H new ATOM 0 HD2 PRO B 40 8.738 9.134 -9.058 1.00 0.73 H new ATOM 0 HD3 PRO B 40 7.365 9.450 -8.015 1.00 0.73 H new ATOM 2056 N LYS B 41 6.693 7.398 -12.448 1.00 0.82 N ATOM 2057 CA LYS B 41 7.196 6.929 -13.729 1.00 0.87 C ATOM 2058 C LYS B 41 6.970 5.427 -13.842 1.00 0.84 C ATOM 2059 O LYS B 41 6.047 4.976 -14.513 1.00 0.92 O ATOM 2060 CB LYS B 41 8.698 7.225 -13.871 1.00 0.93 C ATOM 2061 CG LYS B 41 9.015 8.548 -14.550 1.00 1.13 C ATOM 2062 CD LYS B 41 10.508 8.841 -14.515 1.00 1.21 C ATOM 2063 CE LYS B 41 10.832 10.177 -15.165 1.00 1.44 C ATOM 2064 NZ LYS B 41 12.294 10.468 -15.143 1.00 1.37 N ATOM 0 H LYS B 41 6.543 6.650 -11.771 1.00 0.82 H new ATOM 0 HA LYS B 41 6.661 7.452 -14.522 1.00 0.87 H new ATOM 0 HB2 LYS B 41 9.152 7.221 -12.880 1.00 0.93 H new ATOM 0 HB3 LYS B 41 9.163 6.419 -14.438 1.00 0.93 H new ATOM 0 HG2 LYS B 41 8.671 8.521 -15.584 1.00 1.13 H new ATOM 0 HG3 LYS B 41 8.472 9.353 -14.055 1.00 1.13 H new ATOM 0 HD2 LYS B 41 10.854 8.845 -13.481 1.00 1.21 H new ATOM 0 HD3 LYS B 41 11.048 8.045 -15.029 1.00 1.21 H new ATOM 0 HE2 LYS B 41 10.478 10.174 -16.196 1.00 1.44 H new ATOM 0 HE3 LYS B 41 10.296 10.972 -14.647 1.00 1.44 H new ATOM 0 HZ1 LYS B 41 12.472 11.387 -15.596 1.00 1.37 H new ATOM 0 HZ2 LYS B 41 12.628 10.497 -14.158 1.00 1.37 H new ATOM 0 HZ3 LYS B 41 12.804 9.723 -15.660 1.00 1.37 H new ATOM 2078 N GLU B 42 7.810 4.662 -13.149 1.00 0.77 N ATOM 2079 CA GLU B 42 7.726 3.206 -13.158 1.00 0.75 C ATOM 2080 C GLU B 42 8.057 2.649 -11.773 1.00 0.70 C ATOM 2081 O GLU B 42 8.005 3.373 -10.776 1.00 0.73 O ATOM 2082 CB GLU B 42 8.685 2.627 -14.204 1.00 0.83 C ATOM 2083 CG GLU B 42 8.252 2.875 -15.638 1.00 1.03 C ATOM 2084 CD GLU B 42 9.369 2.636 -16.629 1.00 1.08 C ATOM 2085 OE1 GLU B 42 10.156 3.575 -16.879 1.00 1.41 O ATOM 2086 OE2 GLU B 42 9.463 1.514 -17.168 1.00 1.28 O ATOM 0 H GLU B 42 8.563 5.032 -12.569 1.00 0.77 H new ATOM 0 HA GLU B 42 6.708 2.916 -13.418 1.00 0.75 H new ATOM 0 HB2 GLU B 42 9.675 3.058 -14.054 1.00 0.83 H new ATOM 0 HB3 GLU B 42 8.777 1.553 -14.043 1.00 0.83 H new ATOM 0 HG2 GLU B 42 7.412 2.224 -15.878 1.00 1.03 H new ATOM 0 HG3 GLU B 42 7.898 3.901 -15.735 1.00 1.03 H new ATOM 2093 N LYS B 43 8.398 1.367 -11.717 1.00 0.68 N ATOM 2094 CA LYS B 43 8.737 0.716 -10.458 1.00 0.64 C ATOM 2095 C LYS B 43 10.160 0.158 -10.512 1.00 0.63 C ATOM 2096 O LYS B 43 10.468 -0.702 -11.339 1.00 0.74 O ATOM 2097 CB LYS B 43 7.740 -0.407 -10.169 1.00 0.67 C ATOM 2098 CG LYS B 43 7.831 -0.968 -8.757 1.00 0.67 C ATOM 2099 CD LYS B 43 6.828 -2.092 -8.535 1.00 0.74 C ATOM 2100 CE LYS B 43 7.273 -3.384 -9.208 1.00 0.83 C ATOM 2101 NZ LYS B 43 6.229 -4.441 -9.130 1.00 0.98 N ATOM 0 H LYS B 43 8.447 0.756 -12.532 1.00 0.68 H new ATOM 0 HA LYS B 43 8.685 1.453 -9.656 1.00 0.64 H new ATOM 0 HB2 LYS B 43 6.730 -0.034 -10.336 1.00 0.67 H new ATOM 0 HB3 LYS B 43 7.903 -1.216 -10.881 1.00 0.67 H new ATOM 0 HG2 LYS B 43 8.840 -1.339 -8.577 1.00 0.67 H new ATOM 0 HG3 LYS B 43 7.651 -0.171 -8.036 1.00 0.67 H new ATOM 0 HD2 LYS B 43 6.703 -2.263 -7.466 1.00 0.74 H new ATOM 0 HD3 LYS B 43 5.855 -1.794 -8.926 1.00 0.74 H new ATOM 0 HE2 LYS B 43 7.510 -3.185 -10.253 1.00 0.83 H new ATOM 0 HE3 LYS B 43 8.188 -3.742 -8.736 1.00 0.83 H new ATOM 0 HZ1 LYS B 43 6.572 -5.303 -9.600 1.00 0.98 H new ATOM 0 HZ2 LYS B 43 6.020 -4.650 -8.133 1.00 0.98 H new ATOM 0 HZ3 LYS B 43 5.364 -4.110 -9.603 1.00 0.98 H new ATOM 2115 N GLU B 44 11.020 0.644 -9.630 1.00 0.59 N ATOM 2116 CA GLU B 44 12.405 0.194 -9.596 1.00 0.60 C ATOM 2117 C GLU B 44 12.696 -0.529 -8.287 1.00 0.56 C ATOM 2118 O GLU B 44 11.885 -0.494 -7.364 1.00 0.60 O ATOM 2119 CB GLU B 44 13.345 1.390 -9.762 1.00 0.64 C ATOM 2120 CG GLU B 44 14.567 1.093 -10.615 1.00 0.81 C ATOM 2121 CD GLU B 44 14.206 0.477 -11.950 1.00 1.02 C ATOM 2122 OE1 GLU B 44 13.556 1.160 -12.771 1.00 1.21 O ATOM 2123 OE2 GLU B 44 14.572 -0.695 -12.181 1.00 1.24 O ATOM 0 H GLU B 44 10.785 1.348 -8.930 1.00 0.59 H new ATOM 0 HA GLU B 44 12.569 -0.502 -10.418 1.00 0.60 H new ATOM 0 HB2 GLU B 44 12.792 2.216 -10.210 1.00 0.64 H new ATOM 0 HB3 GLU B 44 13.673 1.723 -8.777 1.00 0.64 H new ATOM 0 HG2 GLU B 44 15.122 2.016 -10.783 1.00 0.81 H new ATOM 0 HG3 GLU B 44 15.229 0.417 -10.073 1.00 0.81 H new ATOM 2130 N GLU B 45 13.845 -1.188 -8.207 1.00 0.56 N ATOM 2131 CA GLU B 45 14.221 -1.911 -7.004 1.00 0.53 C ATOM 2132 C GLU B 45 15.715 -1.790 -6.746 1.00 0.55 C ATOM 2133 O GLU B 45 16.535 -2.218 -7.560 1.00 0.64 O ATOM 2134 CB GLU B 45 13.818 -3.379 -7.117 1.00 0.57 C ATOM 2135 CG GLU B 45 13.927 -4.143 -5.810 1.00 0.58 C ATOM 2136 CD GLU B 45 13.099 -5.403 -5.820 1.00 0.76 C ATOM 2137 OE1 GLU B 45 13.468 -6.356 -6.541 1.00 0.99 O ATOM 2138 OE2 GLU B 45 12.066 -5.447 -5.119 1.00 0.94 O ATOM 0 H GLU B 45 14.530 -1.235 -8.961 1.00 0.56 H new ATOM 0 HA GLU B 45 13.692 -1.468 -6.160 1.00 0.53 H new ATOM 0 HB2 GLU B 45 12.791 -3.438 -7.478 1.00 0.57 H new ATOM 0 HB3 GLU B 45 14.447 -3.863 -7.864 1.00 0.57 H new ATOM 0 HG2 GLU B 45 14.971 -4.397 -5.625 1.00 0.58 H new ATOM 0 HG3 GLU B 45 13.604 -3.504 -4.989 1.00 0.58 H new ATOM 2145 N PHE B 46 16.061 -1.204 -5.611 1.00 0.51 N ATOM 2146 CA PHE B 46 17.453 -1.021 -5.236 1.00 0.54 C ATOM 2147 C PHE B 46 17.871 -2.091 -4.235 1.00 0.54 C ATOM 2148 O PHE B 46 17.027 -2.818 -3.706 1.00 0.54 O ATOM 2149 CB PHE B 46 17.673 0.373 -4.638 1.00 0.53 C ATOM 2150 CG PHE B 46 17.631 1.483 -5.651 1.00 0.58 C ATOM 2151 CD1 PHE B 46 16.419 1.962 -6.126 1.00 0.72 C ATOM 2152 CD2 PHE B 46 18.805 2.050 -6.128 1.00 0.78 C ATOM 2153 CE1 PHE B 46 16.379 2.983 -7.056 1.00 0.85 C ATOM 2154 CE2 PHE B 46 18.769 3.073 -7.058 1.00 0.90 C ATOM 2155 CZ PHE B 46 17.555 3.538 -7.522 1.00 0.87 C ATOM 0 H PHE B 46 15.392 -0.845 -4.930 1.00 0.51 H new ATOM 0 HA PHE B 46 18.066 -1.113 -6.132 1.00 0.54 H new ATOM 0 HB2 PHE B 46 16.912 0.557 -3.880 1.00 0.53 H new ATOM 0 HB3 PHE B 46 18.638 0.392 -4.132 1.00 0.53 H new ATOM 0 HD1 PHE B 46 15.496 1.532 -5.765 1.00 0.72 H new ATOM 0 HD2 PHE B 46 19.757 1.688 -5.769 1.00 0.78 H new ATOM 0 HE1 PHE B 46 15.429 3.347 -7.418 1.00 0.85 H new ATOM 0 HE2 PHE B 46 19.689 3.507 -7.421 1.00 0.90 H new ATOM 0 HZ PHE B 46 17.525 4.336 -8.249 1.00 0.87 H new ATOM 2165 N ALA B 47 19.167 -2.195 -3.990 1.00 0.57 N ATOM 2166 CA ALA B 47 19.685 -3.175 -3.053 1.00 0.60 C ATOM 2167 C ALA B 47 20.733 -2.548 -2.143 1.00 0.60 C ATOM 2168 O ALA B 47 21.803 -2.138 -2.600 1.00 0.66 O ATOM 2169 CB ALA B 47 20.262 -4.367 -3.799 1.00 0.69 C ATOM 0 H ALA B 47 19.879 -1.611 -4.428 1.00 0.57 H new ATOM 0 HA ALA B 47 18.862 -3.525 -2.429 1.00 0.60 H new ATOM 0 HB1 ALA B 47 20.646 -5.093 -3.083 1.00 0.69 H new ATOM 0 HB2 ALA B 47 19.482 -4.831 -4.403 1.00 0.69 H new ATOM 0 HB3 ALA B 47 21.072 -4.033 -4.447 1.00 0.69 H new ATOM 2175 N VAL B 48 20.416 -2.469 -0.862 1.00 0.57 N ATOM 2176 CA VAL B 48 21.319 -1.885 0.121 1.00 0.59 C ATOM 2177 C VAL B 48 21.521 -2.838 1.293 1.00 0.58 C ATOM 2178 O VAL B 48 20.647 -3.653 1.589 1.00 0.57 O ATOM 2179 CB VAL B 48 20.788 -0.531 0.655 1.00 0.59 C ATOM 2180 CG1 VAL B 48 20.975 0.566 -0.379 1.00 0.66 C ATOM 2181 CG2 VAL B 48 19.321 -0.645 1.053 1.00 0.56 C ATOM 0 H VAL B 48 19.534 -2.804 -0.474 1.00 0.57 H new ATOM 0 HA VAL B 48 22.270 -1.711 -0.382 1.00 0.59 H new ATOM 0 HB VAL B 48 21.364 -0.268 1.542 1.00 0.59 H new ATOM 0 HG11 VAL B 48 20.595 1.508 0.017 1.00 0.66 H new ATOM 0 HG12 VAL B 48 22.035 0.671 -0.611 1.00 0.66 H new ATOM 0 HG13 VAL B 48 20.429 0.308 -1.286 1.00 0.66 H new ATOM 0 HG21 VAL B 48 18.969 0.317 1.425 1.00 0.56 H new ATOM 0 HG22 VAL B 48 18.730 -0.936 0.185 1.00 0.56 H new ATOM 0 HG23 VAL B 48 19.213 -1.397 1.834 1.00 0.56 H new ATOM 2191 N PRO B 49 22.682 -2.773 1.957 1.00 0.62 N ATOM 2192 CA PRO B 49 22.971 -3.627 3.108 1.00 0.63 C ATOM 2193 C PRO B 49 22.096 -3.291 4.314 1.00 0.60 C ATOM 2194 O PRO B 49 21.743 -2.130 4.547 1.00 0.61 O ATOM 2195 CB PRO B 49 24.443 -3.351 3.411 1.00 0.69 C ATOM 2196 CG PRO B 49 24.744 -2.032 2.793 1.00 0.79 C ATOM 2197 CD PRO B 49 23.808 -1.880 1.627 1.00 0.67 C ATOM 0 HA PRO B 49 22.766 -4.676 2.894 1.00 0.63 H new ATOM 0 HB2 PRO B 49 24.624 -3.329 4.486 1.00 0.69 H new ATOM 0 HB3 PRO B 49 25.081 -4.132 2.996 1.00 0.69 H new ATOM 0 HG2 PRO B 49 24.601 -1.226 3.512 1.00 0.79 H new ATOM 0 HG3 PRO B 49 25.782 -1.986 2.465 1.00 0.79 H new ATOM 0 HD2 PRO B 49 23.478 -0.848 1.511 1.00 0.67 H new ATOM 0 HD3 PRO B 49 24.286 -2.169 0.691 1.00 0.67 H new ATOM 2205 N GLU B 50 21.782 -4.320 5.088 1.00 0.61 N ATOM 2206 CA GLU B 50 20.929 -4.210 6.271 1.00 0.61 C ATOM 2207 C GLU B 50 21.632 -3.503 7.437 1.00 0.67 C ATOM 2208 O GLU B 50 21.283 -3.716 8.596 1.00 1.01 O ATOM 2209 CB GLU B 50 20.510 -5.620 6.700 1.00 0.68 C ATOM 2210 CG GLU B 50 19.164 -5.694 7.404 1.00 0.86 C ATOM 2211 CD GLU B 50 18.854 -7.091 7.899 1.00 0.93 C ATOM 2212 OE1 GLU B 50 19.610 -7.608 8.754 1.00 1.12 O ATOM 2213 OE2 GLU B 50 17.846 -7.676 7.451 1.00 1.08 O ATOM 0 H GLU B 50 22.115 -5.268 4.913 1.00 0.61 H new ATOM 0 HA GLU B 50 20.061 -3.605 6.010 1.00 0.61 H new ATOM 0 HB2 GLU B 50 20.480 -6.260 5.818 1.00 0.68 H new ATOM 0 HB3 GLU B 50 21.274 -6.026 7.362 1.00 0.68 H new ATOM 0 HG2 GLU B 50 19.158 -5.002 8.246 1.00 0.86 H new ATOM 0 HG3 GLU B 50 18.380 -5.370 6.720 1.00 0.86 H new ATOM 2220 N ASN B 51 22.608 -2.654 7.140 1.00 0.67 N ATOM 2221 CA ASN B 51 23.327 -1.942 8.187 1.00 0.69 C ATOM 2222 C ASN B 51 23.624 -0.503 7.777 1.00 0.71 C ATOM 2223 O ASN B 51 24.416 0.187 8.421 1.00 0.96 O ATOM 2224 CB ASN B 51 24.625 -2.673 8.552 1.00 0.76 C ATOM 2225 CG ASN B 51 25.729 -2.531 7.512 1.00 0.86 C ATOM 2226 OD1 ASN B 51 25.472 -2.357 6.319 1.00 0.87 O ATOM 2227 ND2 ASN B 51 26.973 -2.607 7.963 1.00 1.20 N ATOM 0 H ASN B 51 22.917 -2.443 6.191 1.00 0.67 H new ATOM 0 HA ASN B 51 22.685 -1.916 9.067 1.00 0.69 H new ATOM 0 HB2 ASN B 51 24.988 -2.293 9.507 1.00 0.76 H new ATOM 0 HB3 ASN B 51 24.407 -3.732 8.693 1.00 0.76 H new ATOM 0 HD21 ASN B 51 27.756 -2.521 7.315 1.00 1.20 H new ATOM 0 HD22 ASN B 51 27.147 -2.752 8.958 1.00 1.20 H new ATOM 2234 N SER B 52 22.976 -0.047 6.714 1.00 0.65 N ATOM 2235 CA SER B 52 23.171 1.314 6.230 1.00 0.67 C ATOM 2236 C SER B 52 22.113 2.254 6.798 1.00 0.63 C ATOM 2237 O SER B 52 21.101 1.812 7.342 1.00 0.68 O ATOM 2238 CB SER B 52 23.114 1.351 4.702 1.00 0.71 C ATOM 2239 OG SER B 52 24.162 0.592 4.140 1.00 0.86 O ATOM 0 H SER B 52 22.312 -0.598 6.171 1.00 0.65 H new ATOM 0 HA SER B 52 24.153 1.647 6.565 1.00 0.67 H new ATOM 0 HB2 SER B 52 22.155 0.962 4.360 1.00 0.71 H new ATOM 0 HB3 SER B 52 23.181 2.383 4.357 1.00 0.71 H new ATOM 0 HG SER B 52 24.114 0.642 3.162 1.00 0.86 H new ATOM 2245 N SER B 53 22.360 3.549 6.671 1.00 0.65 N ATOM 2246 CA SER B 53 21.436 4.558 7.154 1.00 0.64 C ATOM 2247 C SER B 53 20.568 5.062 6.002 1.00 0.57 C ATOM 2248 O SER B 53 20.827 4.745 4.836 1.00 0.58 O ATOM 2249 CB SER B 53 22.209 5.714 7.792 1.00 0.75 C ATOM 2250 OG SER B 53 23.319 5.232 8.533 1.00 0.89 O ATOM 0 H SER B 53 23.201 3.926 6.233 1.00 0.65 H new ATOM 0 HA SER B 53 20.787 4.117 7.911 1.00 0.64 H new ATOM 0 HB2 SER B 53 22.554 6.398 7.017 1.00 0.75 H new ATOM 0 HB3 SER B 53 21.548 6.281 8.447 1.00 0.75 H new ATOM 0 HG SER B 53 23.800 5.988 8.931 1.00 0.89 H new ATOM 2256 N VAL B 54 19.545 5.839 6.323 1.00 0.54 N ATOM 2257 CA VAL B 54 18.636 6.367 5.312 1.00 0.49 C ATOM 2258 C VAL B 54 19.332 7.387 4.412 1.00 0.48 C ATOM 2259 O VAL B 54 19.065 7.445 3.211 1.00 0.47 O ATOM 2260 CB VAL B 54 17.393 7.015 5.955 1.00 0.52 C ATOM 2261 CG1 VAL B 54 16.439 7.529 4.887 1.00 0.57 C ATOM 2262 CG2 VAL B 54 16.682 6.024 6.862 1.00 0.58 C ATOM 0 H VAL B 54 19.321 6.120 7.278 1.00 0.54 H new ATOM 0 HA VAL B 54 18.318 5.520 4.704 1.00 0.49 H new ATOM 0 HB VAL B 54 17.726 7.861 6.556 1.00 0.52 H new ATOM 0 HG11 VAL B 54 15.570 7.982 5.363 1.00 0.57 H new ATOM 0 HG12 VAL B 54 16.946 8.274 4.274 1.00 0.57 H new ATOM 0 HG13 VAL B 54 16.117 6.700 4.257 1.00 0.57 H new ATOM 0 HG21 VAL B 54 15.808 6.500 7.306 1.00 0.58 H new ATOM 0 HG22 VAL B 54 16.367 5.158 6.279 1.00 0.58 H new ATOM 0 HG23 VAL B 54 17.361 5.702 7.652 1.00 0.58 H new ATOM 2272 N GLN B 55 20.230 8.179 4.999 1.00 0.53 N ATOM 2273 CA GLN B 55 20.971 9.204 4.260 1.00 0.58 C ATOM 2274 C GLN B 55 21.646 8.620 3.020 1.00 0.58 C ATOM 2275 O GLN B 55 21.522 9.162 1.923 1.00 0.64 O ATOM 2276 CB GLN B 55 22.029 9.849 5.158 1.00 0.67 C ATOM 2277 CG GLN B 55 21.480 10.923 6.082 1.00 0.88 C ATOM 2278 CD GLN B 55 22.522 11.418 7.064 1.00 0.92 C ATOM 2279 OE1 GLN B 55 23.717 11.412 6.773 1.00 1.13 O ATOM 2280 NE2 GLN B 55 22.082 11.842 8.236 1.00 1.23 N ATOM 0 H GLN B 55 20.463 8.130 5.991 1.00 0.53 H new ATOM 0 HA GLN B 55 20.253 9.960 3.940 1.00 0.58 H new ATOM 0 HB2 GLN B 55 22.503 9.073 5.760 1.00 0.67 H new ATOM 0 HB3 GLN B 55 22.807 10.286 4.531 1.00 0.67 H new ATOM 0 HG2 GLN B 55 21.116 11.761 5.487 1.00 0.88 H new ATOM 0 HG3 GLN B 55 20.625 10.527 6.630 1.00 0.88 H new ATOM 0 HE21 GLN B 55 21.083 11.831 8.440 1.00 1.23 H new ATOM 0 HE22 GLN B 55 22.742 12.180 8.937 1.00 1.23 H new ATOM 2289 N GLN B 56 22.339 7.502 3.209 1.00 0.56 N ATOM 2290 CA GLN B 56 23.046 6.830 2.123 1.00 0.60 C ATOM 2291 C GLN B 56 22.080 6.386 1.029 1.00 0.55 C ATOM 2292 O GLN B 56 22.403 6.450 -0.158 1.00 0.62 O ATOM 2293 CB GLN B 56 23.801 5.614 2.662 1.00 0.65 C ATOM 2294 CG GLN B 56 25.102 5.318 1.933 1.00 0.80 C ATOM 2295 CD GLN B 56 26.315 5.510 2.825 1.00 1.02 C ATOM 2296 OE1 GLN B 56 26.711 4.602 3.559 1.00 1.35 O ATOM 2297 NE2 GLN B 56 26.913 6.687 2.769 1.00 1.27 N ATOM 0 H GLN B 56 22.427 7.038 4.113 1.00 0.56 H new ATOM 0 HA GLN B 56 23.753 7.539 1.693 1.00 0.60 H new ATOM 0 HB2 GLN B 56 24.017 5.773 3.719 1.00 0.65 H new ATOM 0 HB3 GLN B 56 23.153 4.740 2.597 1.00 0.65 H new ATOM 0 HG2 GLN B 56 25.084 4.293 1.563 1.00 0.80 H new ATOM 0 HG3 GLN B 56 25.186 5.970 1.063 1.00 0.80 H new ATOM 0 HE21 GLN B 56 26.554 7.412 2.148 1.00 1.27 H new ATOM 0 HE22 GLN B 56 27.734 6.870 3.346 1.00 1.27 H new ATOM 2306 N PHE B 57 20.900 5.936 1.439 1.00 0.50 N ATOM 2307 CA PHE B 57 19.887 5.474 0.500 1.00 0.49 C ATOM 2308 C PHE B 57 19.299 6.649 -0.276 1.00 0.47 C ATOM 2309 O PHE B 57 19.199 6.605 -1.502 1.00 0.49 O ATOM 2310 CB PHE B 57 18.778 4.720 1.242 1.00 0.48 C ATOM 2311 CG PHE B 57 17.683 4.209 0.346 1.00 0.50 C ATOM 2312 CD1 PHE B 57 17.978 3.400 -0.741 1.00 0.56 C ATOM 2313 CD2 PHE B 57 16.361 4.540 0.591 1.00 0.53 C ATOM 2314 CE1 PHE B 57 16.974 2.929 -1.564 1.00 0.64 C ATOM 2315 CE2 PHE B 57 15.351 4.070 -0.230 1.00 0.59 C ATOM 2316 CZ PHE B 57 15.660 3.266 -1.309 1.00 0.64 C ATOM 0 H PHE B 57 20.621 5.881 2.419 1.00 0.50 H new ATOM 0 HA PHE B 57 20.359 4.794 -0.209 1.00 0.49 H new ATOM 0 HB2 PHE B 57 19.219 3.879 1.776 1.00 0.48 H new ATOM 0 HB3 PHE B 57 18.342 5.380 1.992 1.00 0.48 H new ATOM 0 HD1 PHE B 57 19.005 3.135 -0.946 1.00 0.56 H new ATOM 0 HD2 PHE B 57 16.115 5.172 1.432 1.00 0.53 H new ATOM 0 HE1 PHE B 57 17.217 2.298 -2.406 1.00 0.64 H new ATOM 0 HE2 PHE B 57 14.323 4.332 -0.027 1.00 0.59 H new ATOM 0 HZ PHE B 57 14.874 2.901 -1.953 1.00 0.64 H new ATOM 2326 N LYS B 58 18.929 7.698 0.448 1.00 0.47 N ATOM 2327 CA LYS B 58 18.350 8.890 -0.164 1.00 0.48 C ATOM 2328 C LYS B 58 19.311 9.506 -1.169 1.00 0.49 C ATOM 2329 O LYS B 58 18.925 9.824 -2.294 1.00 0.53 O ATOM 2330 CB LYS B 58 17.996 9.922 0.905 1.00 0.53 C ATOM 2331 CG LYS B 58 16.737 9.590 1.692 1.00 0.62 C ATOM 2332 CD LYS B 58 16.536 10.558 2.850 1.00 0.70 C ATOM 2333 CE LYS B 58 16.172 11.951 2.362 1.00 0.77 C ATOM 2334 NZ LYS B 58 16.621 13.006 3.307 1.00 1.01 N ATOM 0 H LYS B 58 19.019 7.748 1.463 1.00 0.47 H new ATOM 0 HA LYS B 58 17.442 8.589 -0.686 1.00 0.48 H new ATOM 0 HB2 LYS B 58 18.832 10.013 1.598 1.00 0.53 H new ATOM 0 HB3 LYS B 58 17.869 10.894 0.429 1.00 0.53 H new ATOM 0 HG2 LYS B 58 15.872 9.627 1.030 1.00 0.62 H new ATOM 0 HG3 LYS B 58 16.803 8.571 2.074 1.00 0.62 H new ATOM 0 HD2 LYS B 58 15.748 10.184 3.504 1.00 0.70 H new ATOM 0 HD3 LYS B 58 17.448 10.608 3.445 1.00 0.70 H new ATOM 0 HE2 LYS B 58 16.624 12.123 1.385 1.00 0.77 H new ATOM 0 HE3 LYS B 58 15.092 12.018 2.230 1.00 0.77 H new ATOM 0 HZ1 LYS B 58 15.975 13.819 3.252 1.00 1.01 H new ATOM 0 HZ2 LYS B 58 16.620 12.628 4.276 1.00 1.01 H new ATOM 0 HZ3 LYS B 58 17.583 13.311 3.055 1.00 1.01 H new ATOM 2348 N GLU B 59 20.567 9.655 -0.759 1.00 0.51 N ATOM 2349 CA GLU B 59 21.590 10.236 -1.618 1.00 0.56 C ATOM 2350 C GLU B 59 21.776 9.409 -2.886 1.00 0.57 C ATOM 2351 O GLU B 59 21.933 9.962 -3.977 1.00 0.65 O ATOM 2352 CB GLU B 59 22.911 10.367 -0.858 1.00 0.63 C ATOM 2353 CG GLU B 59 22.958 11.596 0.038 1.00 1.06 C ATOM 2354 CD GLU B 59 24.351 11.913 0.533 1.00 0.97 C ATOM 2355 OE1 GLU B 59 25.205 12.314 -0.291 1.00 1.30 O ATOM 2356 OE2 GLU B 59 24.603 11.764 1.749 1.00 1.14 O ATOM 0 H GLU B 59 20.900 9.380 0.165 1.00 0.51 H new ATOM 0 HA GLU B 59 21.260 11.232 -1.915 1.00 0.56 H new ATOM 0 HB2 GLU B 59 23.065 9.475 -0.251 1.00 0.63 H new ATOM 0 HB3 GLU B 59 23.733 10.413 -1.573 1.00 0.63 H new ATOM 0 HG2 GLU B 59 22.569 12.454 -0.511 1.00 1.06 H new ATOM 0 HG3 GLU B 59 22.301 11.440 0.894 1.00 1.06 H new ATOM 2363 N ALA B 60 21.720 8.089 -2.740 1.00 0.55 N ATOM 2364 CA ALA B 60 21.872 7.186 -3.873 1.00 0.57 C ATOM 2365 C ALA B 60 20.786 7.440 -4.910 1.00 0.56 C ATOM 2366 O ALA B 60 21.035 7.394 -6.116 1.00 0.59 O ATOM 2367 CB ALA B 60 21.832 5.739 -3.406 1.00 0.59 C ATOM 0 H ALA B 60 21.570 7.621 -1.846 1.00 0.55 H new ATOM 0 HA ALA B 60 22.840 7.375 -4.336 1.00 0.57 H new ATOM 0 HB1 ALA B 60 21.947 5.076 -4.264 1.00 0.59 H new ATOM 0 HB2 ALA B 60 22.643 5.562 -2.700 1.00 0.59 H new ATOM 0 HB3 ALA B 60 20.877 5.540 -2.919 1.00 0.59 H new ATOM 2373 N ILE B 61 19.581 7.732 -4.433 1.00 0.52 N ATOM 2374 CA ILE B 61 18.454 7.996 -5.314 1.00 0.52 C ATOM 2375 C ILE B 61 18.671 9.280 -6.111 1.00 0.55 C ATOM 2376 O ILE B 61 18.425 9.319 -7.316 1.00 0.59 O ATOM 2377 CB ILE B 61 17.131 8.089 -4.521 1.00 0.50 C ATOM 2378 CG1 ILE B 61 16.865 6.775 -3.779 1.00 0.51 C ATOM 2379 CG2 ILE B 61 15.972 8.424 -5.451 1.00 0.52 C ATOM 2380 CD1 ILE B 61 15.677 6.831 -2.844 1.00 0.56 C ATOM 0 H ILE B 61 19.361 7.791 -3.439 1.00 0.52 H new ATOM 0 HA ILE B 61 18.383 7.159 -6.008 1.00 0.52 H new ATOM 0 HB ILE B 61 17.221 8.890 -3.787 1.00 0.50 H new ATOM 0 HG12 ILE B 61 16.703 5.982 -4.510 1.00 0.51 H new ATOM 0 HG13 ILE B 61 17.753 6.505 -3.207 1.00 0.51 H new ATOM 0 HG21 ILE B 61 15.049 8.485 -4.875 1.00 0.52 H new ATOM 0 HG22 ILE B 61 16.160 9.381 -5.937 1.00 0.52 H new ATOM 0 HG23 ILE B 61 15.876 7.645 -6.208 1.00 0.52 H new ATOM 0 HD11 ILE B 61 15.552 5.865 -2.356 1.00 0.56 H new ATOM 0 HD12 ILE B 61 15.844 7.600 -2.090 1.00 0.56 H new ATOM 0 HD13 ILE B 61 14.778 7.069 -3.412 1.00 0.56 H new ATOM 2392 N SER B 62 19.155 10.323 -5.444 1.00 0.55 N ATOM 2393 CA SER B 62 19.405 11.600 -6.102 1.00 0.59 C ATOM 2394 C SER B 62 20.460 11.467 -7.201 1.00 0.63 C ATOM 2395 O SER B 62 20.483 12.249 -8.152 1.00 0.70 O ATOM 2396 CB SER B 62 19.855 12.652 -5.085 1.00 0.61 C ATOM 2397 OG SER B 62 19.997 12.097 -3.787 1.00 0.70 O ATOM 0 H SER B 62 19.382 10.309 -4.450 1.00 0.55 H new ATOM 0 HA SER B 62 18.468 11.918 -6.560 1.00 0.59 H new ATOM 0 HB2 SER B 62 20.804 13.083 -5.403 1.00 0.61 H new ATOM 0 HB3 SER B 62 19.129 13.465 -5.056 1.00 0.61 H new ATOM 0 HG SER B 62 19.882 12.802 -3.116 1.00 0.70 H new ATOM 2403 N LYS B 63 21.325 10.473 -7.071 1.00 0.63 N ATOM 2404 CA LYS B 63 22.376 10.261 -8.050 1.00 0.69 C ATOM 2405 C LYS B 63 21.919 9.318 -9.160 1.00 0.71 C ATOM 2406 O LYS B 63 22.069 9.623 -10.343 1.00 0.82 O ATOM 2407 CB LYS B 63 23.628 9.708 -7.362 1.00 0.72 C ATOM 2408 CG LYS B 63 24.834 9.584 -8.283 1.00 0.84 C ATOM 2409 CD LYS B 63 25.330 10.942 -8.764 1.00 1.00 C ATOM 2410 CE LYS B 63 25.908 11.764 -7.623 1.00 1.04 C ATOM 2411 NZ LYS B 63 26.666 12.944 -8.118 1.00 1.28 N ATOM 0 H LYS B 63 21.319 9.804 -6.301 1.00 0.63 H new ATOM 0 HA LYS B 63 22.614 11.222 -8.507 1.00 0.69 H new ATOM 0 HB2 LYS B 63 23.887 10.357 -6.525 1.00 0.72 H new ATOM 0 HB3 LYS B 63 23.399 8.727 -6.946 1.00 0.72 H new ATOM 0 HG2 LYS B 63 25.639 9.070 -7.758 1.00 0.84 H new ATOM 0 HG3 LYS B 63 24.571 8.969 -9.144 1.00 0.84 H new ATOM 0 HD2 LYS B 63 26.090 10.801 -9.533 1.00 1.00 H new ATOM 0 HD3 LYS B 63 24.507 11.488 -9.226 1.00 1.00 H new ATOM 0 HE2 LYS B 63 25.101 12.098 -6.971 1.00 1.04 H new ATOM 0 HE3 LYS B 63 26.565 11.137 -7.020 1.00 1.04 H new ATOM 0 HZ1 LYS B 63 27.044 13.478 -7.309 1.00 1.28 H new ATOM 0 HZ2 LYS B 63 27.452 12.624 -8.719 1.00 1.28 H new ATOM 0 HZ3 LYS B 63 26.033 13.556 -8.672 1.00 1.28 H new ATOM 2425 N ARG B 64 21.351 8.182 -8.777 1.00 0.67 N ATOM 2426 CA ARG B 64 20.892 7.188 -9.746 1.00 0.70 C ATOM 2427 C ARG B 64 19.625 7.643 -10.467 1.00 0.70 C ATOM 2428 O ARG B 64 19.616 7.787 -11.689 1.00 0.75 O ATOM 2429 CB ARG B 64 20.646 5.846 -9.055 1.00 0.70 C ATOM 2430 CG ARG B 64 21.905 5.200 -8.491 1.00 0.72 C ATOM 2431 CD ARG B 64 22.815 4.667 -9.591 1.00 0.81 C ATOM 2432 NE ARG B 64 23.725 5.693 -10.108 1.00 0.84 N ATOM 2433 CZ ARG B 64 24.991 5.844 -9.708 1.00 0.95 C ATOM 2434 NH1 ARG B 64 25.506 5.043 -8.788 1.00 1.05 N ATOM 2435 NH2 ARG B 64 25.746 6.796 -10.238 1.00 1.07 N ATOM 0 H ARG B 64 21.196 7.923 -7.803 1.00 0.67 H new ATOM 0 HA ARG B 64 21.678 7.071 -10.492 1.00 0.70 H new ATOM 0 HB2 ARG B 64 19.931 5.991 -8.246 1.00 0.70 H new ATOM 0 HB3 ARG B 64 20.186 5.161 -9.767 1.00 0.70 H new ATOM 0 HG2 ARG B 64 22.450 5.930 -7.892 1.00 0.72 H new ATOM 0 HG3 ARG B 64 21.626 4.384 -7.824 1.00 0.72 H new ATOM 0 HD2 ARG B 64 23.397 3.830 -9.204 1.00 0.81 H new ATOM 0 HD3 ARG B 64 22.205 4.281 -10.408 1.00 0.81 H new ATOM 0 HE ARG B 64 23.369 6.333 -10.818 1.00 0.84 H new ATOM 0 HH11 ARG B 64 24.935 4.303 -8.379 1.00 1.05 H new ATOM 0 HH12 ARG B 64 26.473 5.166 -8.489 1.00 1.05 H new ATOM 0 HH21 ARG B 64 25.361 7.414 -10.952 1.00 1.07 H new ATOM 0 HH22 ARG B 64 26.712 6.910 -9.932 1.00 1.07 H new ATOM 2449 N PHE B 65 18.568 7.885 -9.701 1.00 0.67 N ATOM 2450 CA PHE B 65 17.289 8.312 -10.264 1.00 0.68 C ATOM 2451 C PHE B 65 17.350 9.758 -10.731 1.00 0.70 C ATOM 2452 O PHE B 65 16.624 10.147 -11.646 1.00 0.75 O ATOM 2453 CB PHE B 65 16.167 8.148 -9.237 1.00 0.66 C ATOM 2454 CG PHE B 65 15.182 7.069 -9.585 1.00 0.68 C ATOM 2455 CD1 PHE B 65 14.602 7.020 -10.844 1.00 0.82 C ATOM 2456 CD2 PHE B 65 14.828 6.111 -8.651 1.00 0.88 C ATOM 2457 CE1 PHE B 65 13.693 6.032 -11.165 1.00 0.97 C ATOM 2458 CE2 PHE B 65 13.919 5.120 -8.966 1.00 1.02 C ATOM 2459 CZ PHE B 65 13.350 5.082 -10.225 1.00 1.00 C ATOM 0 H PHE B 65 18.570 7.793 -8.685 1.00 0.67 H new ATOM 0 HA PHE B 65 17.080 7.678 -11.126 1.00 0.68 H new ATOM 0 HB2 PHE B 65 16.606 7.926 -8.264 1.00 0.66 H new ATOM 0 HB3 PHE B 65 15.636 9.095 -9.138 1.00 0.66 H new ATOM 0 HD1 PHE B 65 14.865 7.764 -11.582 1.00 0.82 H new ATOM 0 HD2 PHE B 65 15.267 6.139 -7.665 1.00 0.88 H new ATOM 0 HE1 PHE B 65 13.251 6.003 -12.150 1.00 0.97 H new ATOM 0 HE2 PHE B 65 13.653 4.376 -8.230 1.00 1.02 H new ATOM 0 HZ PHE B 65 12.637 4.309 -10.473 1.00 1.00 H new ATOM 2469 N LYS B 66 18.213 10.543 -10.084 1.00 0.68 N ATOM 2470 CA LYS B 66 18.403 11.952 -10.420 1.00 0.71 C ATOM 2471 C LYS B 66 17.102 12.737 -10.253 1.00 0.70 C ATOM 2472 O LYS B 66 16.312 12.870 -11.189 1.00 0.83 O ATOM 2473 CB LYS B 66 18.948 12.086 -11.849 1.00 0.79 C ATOM 2474 CG LYS B 66 19.344 13.501 -12.237 1.00 0.93 C ATOM 2475 CD LYS B 66 20.164 13.521 -13.521 1.00 1.05 C ATOM 2476 CE LYS B 66 19.400 12.914 -14.692 1.00 1.07 C ATOM 2477 NZ LYS B 66 20.232 12.853 -15.925 1.00 1.27 N ATOM 0 H LYS B 66 18.798 10.219 -9.314 1.00 0.68 H new ATOM 0 HA LYS B 66 19.133 12.376 -9.730 1.00 0.71 H new ATOM 0 HB2 LYS B 66 19.816 11.436 -11.957 1.00 0.79 H new ATOM 0 HB3 LYS B 66 18.193 11.728 -12.549 1.00 0.79 H new ATOM 0 HG2 LYS B 66 18.448 14.108 -12.367 1.00 0.93 H new ATOM 0 HG3 LYS B 66 19.920 13.953 -11.429 1.00 0.93 H new ATOM 0 HD2 LYS B 66 20.439 14.548 -13.760 1.00 1.05 H new ATOM 0 HD3 LYS B 66 21.092 12.970 -13.368 1.00 1.05 H new ATOM 0 HE2 LYS B 66 19.068 11.910 -14.428 1.00 1.07 H new ATOM 0 HE3 LYS B 66 18.505 13.505 -14.887 1.00 1.07 H new ATOM 0 HZ1 LYS B 66 19.677 12.434 -16.698 1.00 1.27 H new ATOM 0 HZ2 LYS B 66 20.528 13.814 -16.192 1.00 1.27 H new ATOM 0 HZ3 LYS B 66 21.074 12.268 -15.747 1.00 1.27 H new ATOM 2491 N SER B 67 16.880 13.254 -9.052 1.00 0.66 N ATOM 2492 CA SER B 67 15.673 14.015 -8.760 1.00 0.68 C ATOM 2493 C SER B 67 15.919 15.039 -7.650 1.00 0.69 C ATOM 2494 O SER B 67 16.127 16.220 -7.932 1.00 0.90 O ATOM 2495 CB SER B 67 14.532 13.068 -8.377 1.00 0.68 C ATOM 2496 OG SER B 67 14.196 12.211 -9.458 1.00 1.34 O ATOM 0 H SER B 67 17.521 13.160 -8.264 1.00 0.66 H new ATOM 0 HA SER B 67 15.389 14.562 -9.659 1.00 0.68 H new ATOM 0 HB2 SER B 67 14.825 12.471 -7.513 1.00 0.68 H new ATOM 0 HB3 SER B 67 13.657 13.648 -8.083 1.00 0.68 H new ATOM 0 HG SER B 67 13.466 11.615 -9.188 1.00 1.34 H new ATOM 2502 N GLN B 68 15.920 14.580 -6.396 1.00 0.59 N ATOM 2503 CA GLN B 68 16.136 15.455 -5.245 1.00 0.59 C ATOM 2504 C GLN B 68 16.588 14.644 -4.034 1.00 0.54 C ATOM 2505 O GLN B 68 16.697 13.421 -4.109 1.00 0.52 O ATOM 2506 CB GLN B 68 14.856 16.231 -4.915 1.00 0.64 C ATOM 2507 CG GLN B 68 14.868 17.658 -5.436 1.00 0.79 C ATOM 2508 CD GLN B 68 13.502 18.311 -5.411 1.00 0.85 C ATOM 2509 OE1 GLN B 68 12.476 17.645 -5.551 1.00 1.14 O ATOM 2510 NE2 GLN B 68 13.480 19.620 -5.233 1.00 1.09 N ATOM 0 H GLN B 68 15.772 13.600 -6.153 1.00 0.59 H new ATOM 0 HA GLN B 68 16.921 16.168 -5.498 1.00 0.59 H new ATOM 0 HB2 GLN B 68 14.001 15.704 -5.338 1.00 0.64 H new ATOM 0 HB3 GLN B 68 14.718 16.247 -3.834 1.00 0.64 H new ATOM 0 HG2 GLN B 68 15.559 18.251 -4.837 1.00 0.79 H new ATOM 0 HG3 GLN B 68 15.248 17.662 -6.458 1.00 0.79 H new ATOM 0 HE21 GLN B 68 14.354 20.134 -5.121 1.00 1.09 H new ATOM 0 HE22 GLN B 68 12.589 20.116 -5.208 1.00 1.09 H new ATOM 2519 N THR B 69 16.853 15.327 -2.926 1.00 0.56 N ATOM 2520 CA THR B 69 17.303 14.665 -1.706 1.00 0.56 C ATOM 2521 C THR B 69 16.559 15.194 -0.474 1.00 0.54 C ATOM 2522 O THR B 69 16.076 14.416 0.349 1.00 0.55 O ATOM 2523 CB THR B 69 18.822 14.852 -1.492 1.00 0.63 C ATOM 2524 OG1 THR B 69 19.508 14.803 -2.754 1.00 0.74 O ATOM 2525 CG2 THR B 69 19.381 13.777 -0.567 1.00 0.70 C ATOM 0 H THR B 69 16.764 16.340 -2.847 1.00 0.56 H new ATOM 0 HA THR B 69 17.085 13.604 -1.828 1.00 0.56 H new ATOM 0 HB THR B 69 18.979 15.826 -1.028 1.00 0.63 H new ATOM 0 HG1 THR B 69 20.470 14.924 -2.609 1.00 0.74 H new ATOM 0 HG21 THR B 69 20.452 13.932 -0.434 1.00 0.70 H new ATOM 0 HG22 THR B 69 18.883 13.835 0.401 1.00 0.70 H new ATOM 0 HG23 THR B 69 19.209 12.794 -1.006 1.00 0.70 H new ATOM 2533 N ASP B 70 16.457 16.517 -0.357 1.00 0.56 N ATOM 2534 CA ASP B 70 15.780 17.146 0.782 1.00 0.58 C ATOM 2535 C ASP B 70 14.278 16.866 0.754 1.00 0.55 C ATOM 2536 O ASP B 70 13.701 16.398 1.740 1.00 0.57 O ATOM 2537 CB ASP B 70 16.044 18.657 0.779 1.00 0.66 C ATOM 2538 CG ASP B 70 15.040 19.444 1.607 1.00 0.76 C ATOM 2539 OD1 ASP B 70 15.031 19.300 2.849 1.00 0.99 O ATOM 2540 OD2 ASP B 70 14.259 20.219 1.013 1.00 0.95 O ATOM 0 H ASP B 70 16.834 17.177 -1.037 1.00 0.56 H new ATOM 0 HA ASP B 70 16.182 16.716 1.700 1.00 0.58 H new ATOM 0 HB2 ASP B 70 17.047 18.844 1.162 1.00 0.66 H new ATOM 0 HB3 ASP B 70 16.022 19.021 -0.248 1.00 0.66 H new ATOM 2545 N GLN B 71 13.653 17.127 -0.387 1.00 0.56 N ATOM 2546 CA GLN B 71 12.220 16.904 -0.543 1.00 0.58 C ATOM 2547 C GLN B 71 11.928 15.451 -0.912 1.00 0.54 C ATOM 2548 O GLN B 71 10.780 15.076 -1.132 1.00 0.66 O ATOM 2549 CB GLN B 71 11.640 17.845 -1.605 1.00 0.65 C ATOM 2550 CG GLN B 71 11.391 19.257 -1.095 1.00 0.83 C ATOM 2551 CD GLN B 71 10.832 20.180 -2.158 1.00 0.92 C ATOM 2552 OE1 GLN B 71 9.618 20.289 -2.329 1.00 1.13 O ATOM 2553 NE2 GLN B 71 11.712 20.866 -2.870 1.00 1.18 N ATOM 0 H GLN B 71 14.116 17.494 -1.219 1.00 0.56 H new ATOM 0 HA GLN B 71 11.743 17.117 0.413 1.00 0.58 H new ATOM 0 HB2 GLN B 71 12.324 17.889 -2.453 1.00 0.65 H new ATOM 0 HB3 GLN B 71 10.702 17.430 -1.974 1.00 0.65 H new ATOM 0 HG2 GLN B 71 10.697 19.217 -0.255 1.00 0.83 H new ATOM 0 HG3 GLN B 71 12.326 19.671 -0.717 1.00 0.83 H new ATOM 0 HE21 GLN B 71 12.710 20.748 -2.698 1.00 1.18 H new ATOM 0 HE22 GLN B 71 11.392 21.513 -3.591 1.00 1.18 H new ATOM 2562 N LEU B 72 12.973 14.637 -0.967 1.00 0.51 N ATOM 2563 CA LEU B 72 12.837 13.226 -1.302 1.00 0.49 C ATOM 2564 C LEU B 72 12.278 12.466 -0.108 1.00 0.43 C ATOM 2565 O LEU B 72 12.990 12.228 0.871 1.00 0.51 O ATOM 2566 CB LEU B 72 14.194 12.656 -1.699 1.00 0.57 C ATOM 2567 CG LEU B 72 14.152 11.345 -2.481 1.00 0.72 C ATOM 2568 CD1 LEU B 72 13.868 11.614 -3.950 1.00 0.88 C ATOM 2569 CD2 LEU B 72 15.458 10.590 -2.316 1.00 1.00 C ATOM 0 H LEU B 72 13.932 14.933 -0.782 1.00 0.51 H new ATOM 0 HA LEU B 72 12.151 13.120 -2.142 1.00 0.49 H new ATOM 0 HB2 LEU B 72 14.720 13.400 -2.298 1.00 0.57 H new ATOM 0 HB3 LEU B 72 14.782 12.501 -0.795 1.00 0.57 H new ATOM 0 HG LEU B 72 13.346 10.727 -2.084 1.00 0.72 H new ATOM 0 HD11 LEU B 72 13.841 10.670 -4.494 1.00 0.88 H new ATOM 0 HD12 LEU B 72 12.906 12.117 -4.048 1.00 0.88 H new ATOM 0 HD13 LEU B 72 14.653 12.248 -4.362 1.00 0.88 H new ATOM 0 HD21 LEU B 72 15.413 9.658 -2.879 1.00 1.00 H new ATOM 0 HD22 LEU B 72 16.281 11.200 -2.689 1.00 1.00 H new ATOM 0 HD23 LEU B 72 15.620 10.369 -1.261 1.00 1.00 H new ATOM 2581 N VAL B 73 11.006 12.104 -0.179 1.00 0.37 N ATOM 2582 CA VAL B 73 10.353 11.397 0.913 1.00 0.35 C ATOM 2583 C VAL B 73 9.789 10.056 0.459 1.00 0.30 C ATOM 2584 O VAL B 73 9.068 9.975 -0.538 1.00 0.31 O ATOM 2585 CB VAL B 73 9.207 12.240 1.518 1.00 0.42 C ATOM 2586 CG1 VAL B 73 8.628 11.565 2.754 1.00 0.46 C ATOM 2587 CG2 VAL B 73 9.684 13.647 1.847 1.00 0.55 C ATOM 0 H VAL B 73 10.405 12.288 -0.982 1.00 0.37 H new ATOM 0 HA VAL B 73 11.117 11.223 1.670 1.00 0.35 H new ATOM 0 HB VAL B 73 8.416 12.315 0.772 1.00 0.42 H new ATOM 0 HG11 VAL B 73 7.824 12.178 3.160 1.00 0.46 H new ATOM 0 HG12 VAL B 73 8.236 10.585 2.483 1.00 0.46 H new ATOM 0 HG13 VAL B 73 9.410 11.448 3.505 1.00 0.46 H new ATOM 0 HG21 VAL B 73 8.860 14.221 2.271 1.00 0.55 H new ATOM 0 HG22 VAL B 73 10.499 13.595 2.568 1.00 0.55 H new ATOM 0 HG23 VAL B 73 10.035 14.134 0.937 1.00 0.55 H new ATOM 2597 N LEU B 74 10.123 9.008 1.195 1.00 0.30 N ATOM 2598 CA LEU B 74 9.626 7.674 0.900 1.00 0.29 C ATOM 2599 C LEU B 74 8.368 7.437 1.727 1.00 0.28 C ATOM 2600 O LEU B 74 8.180 8.071 2.765 1.00 0.36 O ATOM 2601 CB LEU B 74 10.684 6.604 1.210 1.00 0.33 C ATOM 2602 CG LEU B 74 11.756 6.380 0.127 1.00 0.42 C ATOM 2603 CD1 LEU B 74 11.113 6.080 -1.218 1.00 0.57 C ATOM 2604 CD2 LEU B 74 12.684 7.583 0.014 1.00 0.64 C ATOM 0 H LEU B 74 10.740 9.057 2.006 1.00 0.30 H new ATOM 0 HA LEU B 74 9.396 7.600 -0.163 1.00 0.29 H new ATOM 0 HB2 LEU B 74 11.186 6.876 2.139 1.00 0.33 H new ATOM 0 HB3 LEU B 74 10.173 5.658 1.389 1.00 0.33 H new ATOM 0 HG LEU B 74 12.352 5.518 0.426 1.00 0.42 H new ATOM 0 HD11 LEU B 74 11.890 5.926 -1.966 1.00 0.57 H new ATOM 0 HD12 LEU B 74 10.503 5.180 -1.137 1.00 0.57 H new ATOM 0 HD13 LEU B 74 10.484 6.919 -1.516 1.00 0.57 H new ATOM 0 HD21 LEU B 74 13.430 7.396 -0.758 1.00 0.64 H new ATOM 0 HD22 LEU B 74 12.103 8.467 -0.249 1.00 0.64 H new ATOM 0 HD23 LEU B 74 13.184 7.748 0.969 1.00 0.64 H new ATOM 2616 N ILE B 75 7.504 6.550 1.268 1.00 0.29 N ATOM 2617 CA ILE B 75 6.260 6.261 1.973 1.00 0.33 C ATOM 2618 C ILE B 75 6.189 4.794 2.380 1.00 0.31 C ATOM 2619 O ILE B 75 6.590 3.911 1.621 1.00 0.36 O ATOM 2620 CB ILE B 75 5.029 6.611 1.104 1.00 0.43 C ATOM 2621 CG1 ILE B 75 5.089 8.072 0.651 1.00 0.47 C ATOM 2622 CG2 ILE B 75 3.734 6.342 1.860 1.00 0.54 C ATOM 2623 CD1 ILE B 75 5.244 9.058 1.790 1.00 0.74 C ATOM 0 H ILE B 75 7.637 6.015 0.410 1.00 0.29 H new ATOM 0 HA ILE B 75 6.248 6.881 2.869 1.00 0.33 H new ATOM 0 HB ILE B 75 5.046 5.972 0.221 1.00 0.43 H new ATOM 0 HG12 ILE B 75 5.923 8.195 -0.040 1.00 0.47 H new ATOM 0 HG13 ILE B 75 4.180 8.309 0.098 1.00 0.47 H new ATOM 0 HG21 ILE B 75 2.884 6.596 1.227 1.00 0.54 H new ATOM 0 HG22 ILE B 75 3.683 5.287 2.130 1.00 0.54 H new ATOM 0 HG23 ILE B 75 3.708 6.950 2.764 1.00 0.54 H new ATOM 0 HD11 ILE B 75 5.279 10.072 1.391 1.00 0.74 H new ATOM 0 HD12 ILE B 75 4.397 8.964 2.470 1.00 0.74 H new ATOM 0 HD13 ILE B 75 6.168 8.848 2.330 1.00 0.74 H new ATOM 2635 N PHE B 76 5.665 4.550 3.574 1.00 0.31 N ATOM 2636 CA PHE B 76 5.536 3.203 4.110 1.00 0.35 C ATOM 2637 C PHE B 76 4.059 2.835 4.296 1.00 0.31 C ATOM 2638 O PHE B 76 3.664 2.317 5.341 1.00 0.40 O ATOM 2639 CB PHE B 76 6.296 3.106 5.441 1.00 0.48 C ATOM 2640 CG PHE B 76 6.436 1.705 5.969 1.00 0.55 C ATOM 2641 CD1 PHE B 76 7.043 0.720 5.210 1.00 0.65 C ATOM 2642 CD2 PHE B 76 5.962 1.379 7.229 1.00 0.62 C ATOM 2643 CE1 PHE B 76 7.170 -0.564 5.696 1.00 0.77 C ATOM 2644 CE2 PHE B 76 6.085 0.095 7.720 1.00 0.72 C ATOM 2645 CZ PHE B 76 6.690 -0.879 6.952 1.00 0.78 C ATOM 0 H PHE B 76 5.318 5.280 4.197 1.00 0.31 H new ATOM 0 HA PHE B 76 5.969 2.494 3.404 1.00 0.35 H new ATOM 0 HB2 PHE B 76 7.290 3.535 5.311 1.00 0.48 H new ATOM 0 HB3 PHE B 76 5.782 3.713 6.186 1.00 0.48 H new ATOM 0 HD1 PHE B 76 7.421 0.959 4.227 1.00 0.65 H new ATOM 0 HD2 PHE B 76 5.490 2.139 7.835 1.00 0.62 H new ATOM 0 HE1 PHE B 76 7.645 -1.324 5.094 1.00 0.77 H new ATOM 0 HE2 PHE B 76 5.709 -0.147 8.703 1.00 0.72 H new ATOM 0 HZ PHE B 76 6.788 -1.885 7.332 1.00 0.78 H new ATOM 2655 N ALA B 77 3.253 3.120 3.268 1.00 0.40 N ATOM 2656 CA ALA B 77 1.819 2.822 3.273 1.00 0.48 C ATOM 2657 C ALA B 77 1.109 3.398 4.499 1.00 0.41 C ATOM 2658 O ALA B 77 0.951 2.722 5.517 1.00 0.44 O ATOM 2659 CB ALA B 77 1.588 1.319 3.179 1.00 0.62 C ATOM 0 H ALA B 77 3.578 3.564 2.409 1.00 0.40 H new ATOM 0 HA ALA B 77 1.387 3.305 2.397 1.00 0.48 H new ATOM 0 HB1 ALA B 77 0.517 1.114 3.184 1.00 0.62 H new ATOM 0 HB2 ALA B 77 2.025 0.941 2.255 1.00 0.62 H new ATOM 0 HB3 ALA B 77 2.056 0.825 4.031 1.00 0.62 H new ATOM 2665 N GLY B 78 0.674 4.645 4.394 1.00 0.46 N ATOM 2666 CA GLY B 78 -0.020 5.275 5.499 1.00 0.54 C ATOM 2667 C GLY B 78 0.902 6.066 6.406 1.00 0.50 C ATOM 2668 O GLY B 78 0.442 6.758 7.313 1.00 0.63 O ATOM 0 H GLY B 78 0.788 5.230 3.567 1.00 0.46 H new ATOM 0 HA2 GLY B 78 -0.790 5.938 5.106 1.00 0.54 H new ATOM 0 HA3 GLY B 78 -0.528 4.509 6.085 1.00 0.54 H new ATOM 2672 N LYS B 79 2.200 5.979 6.166 1.00 0.42 N ATOM 2673 CA LYS B 79 3.169 6.696 6.981 1.00 0.43 C ATOM 2674 C LYS B 79 4.363 7.123 6.143 1.00 0.39 C ATOM 2675 O LYS B 79 4.629 6.546 5.090 1.00 0.43 O ATOM 2676 CB LYS B 79 3.630 5.819 8.149 1.00 0.50 C ATOM 2677 CG LYS B 79 3.348 6.423 9.517 1.00 0.72 C ATOM 2678 CD LYS B 79 1.950 7.017 9.588 1.00 1.16 C ATOM 2679 CE LYS B 79 1.792 7.908 10.806 1.00 1.57 C ATOM 2680 NZ LYS B 79 0.450 8.547 10.860 1.00 2.02 N ATOM 0 H LYS B 79 2.607 5.421 5.416 1.00 0.42 H new ATOM 0 HA LYS B 79 2.689 7.590 7.379 1.00 0.43 H new ATOM 0 HB2 LYS B 79 3.136 4.850 8.081 1.00 0.50 H new ATOM 0 HB3 LYS B 79 4.701 5.638 8.055 1.00 0.50 H new ATOM 0 HG2 LYS B 79 3.458 5.656 10.284 1.00 0.72 H new ATOM 0 HG3 LYS B 79 4.084 7.197 9.733 1.00 0.72 H new ATOM 0 HD2 LYS B 79 1.751 7.593 8.685 1.00 1.16 H new ATOM 0 HD3 LYS B 79 1.213 6.215 9.623 1.00 1.16 H new ATOM 0 HE2 LYS B 79 1.949 7.318 11.709 1.00 1.57 H new ATOM 0 HE3 LYS B 79 2.561 8.681 10.792 1.00 1.57 H new ATOM 0 HZ1 LYS B 79 0.391 9.160 11.698 1.00 2.02 H new ATOM 0 HZ2 LYS B 79 0.302 9.117 10.003 1.00 2.02 H new ATOM 0 HZ3 LYS B 79 -0.283 7.811 10.917 1.00 2.02 H new ATOM 2694 N ILE B 80 5.077 8.137 6.613 1.00 0.37 N ATOM 2695 CA ILE B 80 6.244 8.643 5.912 1.00 0.39 C ATOM 2696 C ILE B 80 7.484 7.839 6.274 1.00 0.39 C ATOM 2697 O ILE B 80 7.514 7.151 7.298 1.00 0.61 O ATOM 2698 CB ILE B 80 6.506 10.129 6.230 1.00 0.52 C ATOM 2699 CG1 ILE B 80 6.660 10.338 7.738 1.00 0.67 C ATOM 2700 CG2 ILE B 80 5.381 10.991 5.685 1.00 0.97 C ATOM 2701 CD1 ILE B 80 7.309 11.655 8.097 1.00 1.18 C ATOM 0 H ILE B 80 4.865 8.626 7.482 1.00 0.37 H new ATOM 0 HA ILE B 80 6.036 8.543 4.847 1.00 0.39 H new ATOM 0 HB ILE B 80 7.437 10.427 5.747 1.00 0.52 H new ATOM 0 HG12 ILE B 80 5.677 10.286 8.207 1.00 0.67 H new ATOM 0 HG13 ILE B 80 7.255 9.523 8.152 1.00 0.67 H new ATOM 0 HG21 ILE B 80 5.579 12.037 5.917 1.00 0.97 H new ATOM 0 HG22 ILE B 80 5.317 10.865 4.604 1.00 0.97 H new ATOM 0 HG23 ILE B 80 4.438 10.691 6.142 1.00 0.97 H new ATOM 0 HD11 ILE B 80 7.387 11.738 9.181 1.00 1.18 H new ATOM 0 HD12 ILE B 80 8.305 11.702 7.656 1.00 1.18 H new ATOM 0 HD13 ILE B 80 6.703 12.476 7.713 1.00 1.18 H new ATOM 2713 N LEU B 81 8.495 7.926 5.430 1.00 0.30 N ATOM 2714 CA LEU B 81 9.743 7.216 5.645 1.00 0.34 C ATOM 2715 C LEU B 81 10.918 8.043 5.122 1.00 0.36 C ATOM 2716 O LEU B 81 11.138 8.135 3.913 1.00 0.46 O ATOM 2717 CB LEU B 81 9.695 5.858 4.939 1.00 0.44 C ATOM 2718 CG LEU B 81 10.773 4.852 5.344 1.00 0.57 C ATOM 2719 CD1 LEU B 81 10.687 4.536 6.830 1.00 1.01 C ATOM 2720 CD2 LEU B 81 10.627 3.582 4.521 1.00 0.78 C ATOM 0 H LEU B 81 8.475 8.488 4.579 1.00 0.30 H new ATOM 0 HA LEU B 81 9.881 7.055 6.714 1.00 0.34 H new ATOM 0 HB2 LEU B 81 8.719 5.409 5.125 1.00 0.44 H new ATOM 0 HB3 LEU B 81 9.769 6.027 3.865 1.00 0.44 H new ATOM 0 HG LEU B 81 11.751 5.291 5.150 1.00 0.57 H new ATOM 0 HD11 LEU B 81 11.463 3.818 7.095 1.00 1.01 H new ATOM 0 HD12 LEU B 81 10.827 5.451 7.405 1.00 1.01 H new ATOM 0 HD13 LEU B 81 9.709 4.112 7.056 1.00 1.01 H new ATOM 0 HD21 LEU B 81 11.397 2.868 4.813 1.00 0.78 H new ATOM 0 HD22 LEU B 81 9.643 3.146 4.696 1.00 0.78 H new ATOM 0 HD23 LEU B 81 10.735 3.820 3.463 1.00 0.78 H new ATOM 2732 N LYS B 82 11.656 8.660 6.031 1.00 0.39 N ATOM 2733 CA LYS B 82 12.808 9.474 5.665 1.00 0.47 C ATOM 2734 C LYS B 82 13.936 9.266 6.669 1.00 0.49 C ATOM 2735 O LYS B 82 13.937 8.287 7.412 1.00 0.63 O ATOM 2736 CB LYS B 82 12.422 10.957 5.598 1.00 0.54 C ATOM 2737 CG LYS B 82 12.381 11.509 4.180 1.00 0.94 C ATOM 2738 CD LYS B 82 13.030 12.884 4.079 1.00 1.01 C ATOM 2739 CE LYS B 82 12.180 13.961 4.732 1.00 1.22 C ATOM 2740 NZ LYS B 82 12.817 15.302 4.642 1.00 1.35 N ATOM 0 H LYS B 82 11.477 8.613 7.034 1.00 0.39 H new ATOM 0 HA LYS B 82 13.152 9.164 4.678 1.00 0.47 H new ATOM 0 HB2 LYS B 82 11.444 11.091 6.060 1.00 0.54 H new ATOM 0 HB3 LYS B 82 13.134 11.537 6.185 1.00 0.54 H new ATOM 0 HG2 LYS B 82 12.891 10.818 3.508 1.00 0.94 H new ATOM 0 HG3 LYS B 82 11.345 11.572 3.846 1.00 0.94 H new ATOM 0 HD2 LYS B 82 14.011 12.858 4.554 1.00 1.01 H new ATOM 0 HD3 LYS B 82 13.190 13.134 3.030 1.00 1.01 H new ATOM 0 HE2 LYS B 82 11.201 13.991 4.253 1.00 1.22 H new ATOM 0 HE3 LYS B 82 12.014 13.707 5.779 1.00 1.22 H new ATOM 0 HZ1 LYS B 82 12.162 16.023 5.007 1.00 1.35 H new ATOM 0 HZ2 LYS B 82 13.690 15.310 5.207 1.00 1.35 H new ATOM 0 HZ3 LYS B 82 13.045 15.512 3.649 1.00 1.35 H new ATOM 2754 N ASP B 83 14.876 10.204 6.712 1.00 0.60 N ATOM 2755 CA ASP B 83 16.015 10.122 7.625 1.00 0.68 C ATOM 2756 C ASP B 83 15.617 10.462 9.060 1.00 0.68 C ATOM 2757 O ASP B 83 16.451 10.866 9.868 1.00 0.89 O ATOM 2758 CB ASP B 83 17.137 11.052 7.152 1.00 0.88 C ATOM 2759 CG ASP B 83 16.643 12.449 6.838 1.00 1.20 C ATOM 2760 OD1 ASP B 83 15.923 12.614 5.830 1.00 1.56 O ATOM 2761 OD2 ASP B 83 16.964 13.387 7.593 1.00 1.52 O ATOM 0 H ASP B 83 14.873 11.036 6.122 1.00 0.60 H new ATOM 0 HA ASP B 83 16.372 9.092 7.618 1.00 0.68 H new ATOM 0 HB2 ASP B 83 17.907 11.107 7.922 1.00 0.88 H new ATOM 0 HB3 ASP B 83 17.605 10.628 6.264 1.00 0.88 H new ATOM 2766 N GLN B 84 14.343 10.276 9.376 1.00 0.60 N ATOM 2767 CA GLN B 84 13.834 10.545 10.711 1.00 0.67 C ATOM 2768 C GLN B 84 13.972 9.293 11.566 1.00 0.61 C ATOM 2769 O GLN B 84 14.262 9.363 12.762 1.00 0.81 O ATOM 2770 CB GLN B 84 12.375 11.006 10.636 1.00 0.77 C ATOM 2771 CG GLN B 84 12.219 12.384 10.006 1.00 0.93 C ATOM 2772 CD GLN B 84 10.792 12.703 9.613 1.00 1.13 C ATOM 2773 OE1 GLN B 84 9.841 12.215 10.225 1.00 1.32 O ATOM 2774 NE2 GLN B 84 10.631 13.526 8.585 1.00 1.28 N ATOM 0 H GLN B 84 13.639 9.937 8.720 1.00 0.60 H new ATOM 0 HA GLN B 84 14.414 11.346 11.171 1.00 0.67 H new ATOM 0 HB2 GLN B 84 11.800 10.282 10.059 1.00 0.77 H new ATOM 0 HB3 GLN B 84 11.952 11.022 11.641 1.00 0.77 H new ATOM 0 HG2 GLN B 84 12.573 13.139 10.708 1.00 0.93 H new ATOM 0 HG3 GLN B 84 12.855 12.447 9.123 1.00 0.93 H new ATOM 0 HE21 GLN B 84 11.446 13.908 8.105 1.00 1.28 H new ATOM 0 HE22 GLN B 84 9.692 13.776 8.274 1.00 1.28 H new ATOM 2783 N ASP B 85 13.789 8.142 10.932 1.00 0.52 N ATOM 2784 CA ASP B 85 13.918 6.862 11.613 1.00 0.51 C ATOM 2785 C ASP B 85 14.933 5.985 10.876 1.00 0.44 C ATOM 2786 O ASP B 85 15.930 6.496 10.359 1.00 0.48 O ATOM 2787 CB ASP B 85 12.555 6.162 11.762 1.00 0.61 C ATOM 2788 CG ASP B 85 11.934 5.743 10.446 1.00 0.68 C ATOM 2789 OD1 ASP B 85 11.489 6.628 9.685 1.00 0.76 O ATOM 2790 OD2 ASP B 85 11.857 4.521 10.190 1.00 0.86 O ATOM 0 H ASP B 85 13.550 8.070 9.943 1.00 0.52 H new ATOM 0 HA ASP B 85 14.286 7.038 12.624 1.00 0.51 H new ATOM 0 HB2 ASP B 85 12.677 5.281 12.392 1.00 0.61 H new ATOM 0 HB3 ASP B 85 11.868 6.832 12.280 1.00 0.61 H new ATOM 2795 N THR B 86 14.702 4.681 10.820 1.00 0.49 N ATOM 2796 CA THR B 86 15.633 3.783 10.152 1.00 0.47 C ATOM 2797 C THR B 86 14.934 2.908 9.112 1.00 0.42 C ATOM 2798 O THR B 86 13.975 2.194 9.421 1.00 0.41 O ATOM 2799 CB THR B 86 16.353 2.890 11.173 1.00 0.54 C ATOM 2800 OG1 THR B 86 16.418 3.554 12.444 1.00 0.67 O ATOM 2801 CG2 THR B 86 17.759 2.556 10.701 1.00 0.67 C ATOM 0 H THR B 86 13.885 4.224 11.225 1.00 0.49 H new ATOM 0 HA THR B 86 16.363 4.407 9.637 1.00 0.47 H new ATOM 0 HB THR B 86 15.789 1.963 11.274 1.00 0.54 H new ATOM 0 HG1 THR B 86 16.877 2.978 13.091 1.00 0.67 H new ATOM 0 HG21 THR B 86 18.250 1.923 11.440 1.00 0.67 H new ATOM 0 HG22 THR B 86 17.707 2.029 9.748 1.00 0.67 H new ATOM 0 HG23 THR B 86 18.329 3.477 10.576 1.00 0.67 H new ATOM 2809 N LEU B 87 15.447 2.949 7.886 1.00 0.43 N ATOM 2810 CA LEU B 87 14.884 2.180 6.782 1.00 0.42 C ATOM 2811 C LEU B 87 15.079 0.685 7.002 1.00 0.42 C ATOM 2812 O LEU B 87 14.167 -0.103 6.782 1.00 0.44 O ATOM 2813 CB LEU B 87 15.534 2.597 5.455 1.00 0.51 C ATOM 2814 CG LEU B 87 15.050 1.835 4.214 1.00 0.52 C ATOM 2815 CD1 LEU B 87 13.917 2.587 3.533 1.00 0.61 C ATOM 2816 CD2 LEU B 87 16.202 1.604 3.246 1.00 0.66 C ATOM 0 H LEU B 87 16.259 3.512 7.631 1.00 0.43 H new ATOM 0 HA LEU B 87 13.815 2.388 6.740 1.00 0.42 H new ATOM 0 HB2 LEU B 87 15.353 3.661 5.300 1.00 0.51 H new ATOM 0 HB3 LEU B 87 16.613 2.467 5.542 1.00 0.51 H new ATOM 0 HG LEU B 87 14.671 0.864 4.532 1.00 0.52 H new ATOM 0 HD11 LEU B 87 13.587 2.031 2.655 1.00 0.61 H new ATOM 0 HD12 LEU B 87 13.084 2.696 4.227 1.00 0.61 H new ATOM 0 HD13 LEU B 87 14.267 3.573 3.228 1.00 0.61 H new ATOM 0 HD21 LEU B 87 15.840 1.062 2.372 1.00 0.66 H new ATOM 0 HD22 LEU B 87 16.613 2.564 2.933 1.00 0.66 H new ATOM 0 HD23 LEU B 87 16.979 1.020 3.738 1.00 0.66 H new ATOM 2828 N ILE B 88 16.260 0.304 7.469 1.00 0.47 N ATOM 2829 CA ILE B 88 16.574 -1.106 7.701 1.00 0.53 C ATOM 2830 C ILE B 88 15.908 -1.643 8.969 1.00 0.54 C ATOM 2831 O ILE B 88 16.033 -2.821 9.297 1.00 0.66 O ATOM 2832 CB ILE B 88 18.095 -1.328 7.813 1.00 0.62 C ATOM 2833 CG1 ILE B 88 18.668 -0.478 8.954 1.00 0.65 C ATOM 2834 CG2 ILE B 88 18.777 -0.997 6.492 1.00 0.67 C ATOM 2835 CD1 ILE B 88 20.099 -0.809 9.313 1.00 0.91 C ATOM 0 H ILE B 88 17.018 0.948 7.696 1.00 0.47 H new ATOM 0 HA ILE B 88 16.184 -1.649 6.840 1.00 0.53 H new ATOM 0 HB ILE B 88 18.285 -2.378 8.038 1.00 0.62 H new ATOM 0 HG12 ILE B 88 18.609 0.574 8.674 1.00 0.65 H new ATOM 0 HG13 ILE B 88 18.044 -0.608 9.838 1.00 0.65 H new ATOM 0 HG21 ILE B 88 19.851 -1.159 6.586 1.00 0.67 H new ATOM 0 HG22 ILE B 88 18.381 -1.641 5.707 1.00 0.67 H new ATOM 0 HG23 ILE B 88 18.588 0.046 6.236 1.00 0.67 H new ATOM 0 HD11 ILE B 88 20.428 -0.164 10.128 1.00 0.91 H new ATOM 0 HD12 ILE B 88 20.164 -1.851 9.626 1.00 0.91 H new ATOM 0 HD13 ILE B 88 20.738 -0.651 8.444 1.00 0.91 H new ATOM 2847 N GLN B 89 15.197 -0.782 9.680 1.00 0.48 N ATOM 2848 CA GLN B 89 14.545 -1.195 10.910 1.00 0.53 C ATOM 2849 C GLN B 89 13.064 -1.474 10.692 1.00 0.52 C ATOM 2850 O GLN B 89 12.611 -2.605 10.849 1.00 0.71 O ATOM 2851 CB GLN B 89 14.728 -0.134 11.994 1.00 0.57 C ATOM 2852 CG GLN B 89 14.326 -0.604 13.384 1.00 0.69 C ATOM 2853 CD GLN B 89 15.292 -1.628 13.956 1.00 0.82 C ATOM 2854 OE1 GLN B 89 16.295 -1.270 14.573 1.00 0.96 O ATOM 2855 NE2 GLN B 89 14.994 -2.905 13.769 1.00 0.89 N ATOM 0 H GLN B 89 15.058 0.197 9.429 1.00 0.48 H new ATOM 0 HA GLN B 89 15.016 -2.122 11.237 1.00 0.53 H new ATOM 0 HB2 GLN B 89 15.773 0.177 12.013 1.00 0.57 H new ATOM 0 HB3 GLN B 89 14.139 0.745 11.733 1.00 0.57 H new ATOM 0 HG2 GLN B 89 14.274 0.255 14.053 1.00 0.69 H new ATOM 0 HG3 GLN B 89 13.326 -1.036 13.342 1.00 0.69 H new ATOM 0 HE21 GLN B 89 14.153 -3.162 13.252 1.00 0.89 H new ATOM 0 HE22 GLN B 89 15.605 -3.631 14.142 1.00 0.89 H new ATOM 2864 N HIS B 90 12.309 -0.450 10.323 1.00 0.49 N ATOM 2865 CA HIS B 90 10.875 -0.618 10.115 1.00 0.51 C ATOM 2866 C HIS B 90 10.492 -0.494 8.648 1.00 0.50 C ATOM 2867 O HIS B 90 9.506 -1.088 8.218 1.00 0.75 O ATOM 2868 CB HIS B 90 10.103 0.410 10.946 1.00 0.59 C ATOM 2869 CG HIS B 90 8.638 0.124 11.059 1.00 0.72 C ATOM 2870 ND1 HIS B 90 7.683 1.113 11.173 1.00 0.96 N ATOM 2871 CD2 HIS B 90 7.965 -1.051 11.089 1.00 0.92 C ATOM 2872 CE1 HIS B 90 6.488 0.556 11.267 1.00 1.14 C ATOM 2873 NE2 HIS B 90 6.632 -0.753 11.212 1.00 1.10 N ATOM 0 H HIS B 90 12.658 0.495 10.163 1.00 0.49 H new ATOM 0 HA HIS B 90 10.612 -1.625 10.438 1.00 0.51 H new ATOM 0 HB2 HIS B 90 10.533 0.450 11.947 1.00 0.59 H new ATOM 0 HB3 HIS B 90 10.237 1.396 10.501 1.00 0.59 H new ATOM 0 HD2 HIS B 90 8.398 -2.039 11.028 1.00 0.92 H new ATOM 0 HE1 HIS B 90 5.552 1.084 11.371 1.00 1.14 H new ATOM 0 HE2 HIS B 90 5.874 -1.434 11.254 1.00 1.10 H new ATOM 2882 N GLY B 91 11.267 0.271 7.891 1.00 0.45 N ATOM 2883 CA GLY B 91 10.973 0.469 6.483 1.00 0.46 C ATOM 2884 C GLY B 91 11.022 -0.811 5.669 1.00 0.45 C ATOM 2885 O GLY B 91 9.999 -1.303 5.202 1.00 0.64 O ATOM 0 H GLY B 91 12.097 0.760 8.227 1.00 0.45 H new ATOM 0 HA2 GLY B 91 9.983 0.914 6.386 1.00 0.46 H new ATOM 0 HA3 GLY B 91 11.685 1.182 6.068 1.00 0.46 H new ATOM 2889 N ILE B 92 12.209 -1.354 5.495 1.00 0.38 N ATOM 2890 CA ILE B 92 12.380 -2.568 4.721 1.00 0.39 C ATOM 2891 C ILE B 92 12.901 -3.693 5.601 1.00 0.41 C ATOM 2892 O ILE B 92 13.998 -3.607 6.145 1.00 0.46 O ATOM 2893 CB ILE B 92 13.355 -2.351 3.543 1.00 0.41 C ATOM 2894 CG1 ILE B 92 12.940 -1.129 2.717 1.00 0.40 C ATOM 2895 CG2 ILE B 92 13.419 -3.594 2.666 1.00 0.47 C ATOM 2896 CD1 ILE B 92 11.588 -1.273 2.045 1.00 0.43 C ATOM 0 H ILE B 92 13.073 -0.973 5.880 1.00 0.38 H new ATOM 0 HA ILE B 92 11.403 -2.840 4.322 1.00 0.39 H new ATOM 0 HB ILE B 92 14.349 -2.167 3.950 1.00 0.41 H new ATOM 0 HG12 ILE B 92 12.921 -0.253 3.366 1.00 0.40 H new ATOM 0 HG13 ILE B 92 13.696 -0.944 1.954 1.00 0.40 H new ATOM 0 HG21 ILE B 92 14.111 -3.422 1.841 1.00 0.47 H new ATOM 0 HG22 ILE B 92 13.765 -4.441 3.259 1.00 0.47 H new ATOM 0 HG23 ILE B 92 12.427 -3.810 2.269 1.00 0.47 H new ATOM 0 HD11 ILE B 92 11.365 -0.368 1.480 1.00 0.43 H new ATOM 0 HD12 ILE B 92 11.607 -2.128 1.369 1.00 0.43 H new ATOM 0 HD13 ILE B 92 10.820 -1.426 2.803 1.00 0.43 H new ATOM 2908 N HIS B 93 12.098 -4.737 5.758 1.00 0.46 N ATOM 2909 CA HIS B 93 12.496 -5.878 6.569 1.00 0.52 C ATOM 2910 C HIS B 93 13.198 -6.917 5.704 1.00 0.54 C ATOM 2911 O HIS B 93 14.310 -7.349 6.006 1.00 0.66 O ATOM 2912 CB HIS B 93 11.276 -6.499 7.256 1.00 0.58 C ATOM 2913 CG HIS B 93 10.833 -5.754 8.478 1.00 0.65 C ATOM 2914 ND1 HIS B 93 9.514 -5.431 8.729 1.00 1.25 N ATOM 2915 CD2 HIS B 93 11.540 -5.276 9.527 1.00 1.25 C ATOM 2916 CE1 HIS B 93 9.432 -4.783 9.876 1.00 1.14 C ATOM 2917 NE2 HIS B 93 10.646 -4.675 10.376 1.00 1.10 N ATOM 0 H HIS B 93 11.172 -4.817 5.337 1.00 0.46 H new ATOM 0 HA HIS B 93 13.188 -5.533 7.337 1.00 0.52 H new ATOM 0 HB2 HIS B 93 10.450 -6.539 6.546 1.00 0.58 H new ATOM 0 HB3 HIS B 93 11.509 -7.527 7.532 1.00 0.58 H new ATOM 0 HD2 HIS B 93 12.608 -5.353 9.669 1.00 1.25 H new ATOM 0 HE1 HIS B 93 8.526 -4.406 10.327 1.00 1.14 H new ATOM 0 HE2 HIS B 93 10.884 -4.217 11.256 1.00 1.10 H new ATOM 2926 N ASP B 94 12.536 -7.322 4.632 1.00 0.58 N ATOM 2927 CA ASP B 94 13.095 -8.311 3.720 1.00 0.63 C ATOM 2928 C ASP B 94 12.747 -7.969 2.274 1.00 0.78 C ATOM 2929 O ASP B 94 13.184 -8.637 1.335 1.00 1.65 O ATOM 2930 CB ASP B 94 12.566 -9.698 4.081 1.00 0.67 C ATOM 2931 CG ASP B 94 13.416 -10.819 3.520 1.00 0.79 C ATOM 2932 OD1 ASP B 94 14.657 -10.669 3.465 1.00 0.92 O ATOM 2933 OD2 ASP B 94 12.843 -11.868 3.150 1.00 1.08 O ATOM 0 H ASP B 94 11.611 -6.982 4.371 1.00 0.58 H new ATOM 0 HA ASP B 94 14.181 -8.305 3.817 1.00 0.63 H new ATOM 0 HB2 ASP B 94 12.520 -9.792 5.166 1.00 0.67 H new ATOM 0 HB3 ASP B 94 11.547 -9.801 3.708 1.00 0.67 H new ATOM 2938 N GLY B 95 11.964 -6.918 2.101 1.00 0.57 N ATOM 2939 CA GLY B 95 11.561 -6.498 0.776 1.00 0.52 C ATOM 2940 C GLY B 95 10.151 -5.955 0.772 1.00 0.46 C ATOM 2941 O GLY B 95 9.186 -6.719 0.845 1.00 0.53 O ATOM 0 H GLY B 95 11.597 -6.344 2.860 1.00 0.57 H new ATOM 0 HA2 GLY B 95 12.247 -5.734 0.411 1.00 0.52 H new ATOM 0 HA3 GLY B 95 11.629 -7.342 0.089 1.00 0.52 H new ATOM 2945 N LEU B 96 10.022 -4.638 0.698 1.00 0.41 N ATOM 2946 CA LEU B 96 8.716 -4.003 0.709 1.00 0.40 C ATOM 2947 C LEU B 96 8.620 -2.926 -0.359 1.00 0.37 C ATOM 2948 O LEU B 96 9.634 -2.498 -0.917 1.00 0.41 O ATOM 2949 CB LEU B 96 8.424 -3.408 2.090 1.00 0.44 C ATOM 2950 CG LEU B 96 7.984 -4.426 3.145 1.00 0.53 C ATOM 2951 CD1 LEU B 96 8.185 -3.879 4.550 1.00 0.58 C ATOM 2952 CD2 LEU B 96 6.530 -4.808 2.927 1.00 0.70 C ATOM 0 H LEU B 96 10.807 -3.990 0.630 1.00 0.41 H new ATOM 0 HA LEU B 96 7.970 -4.766 0.488 1.00 0.40 H new ATOM 0 HB2 LEU B 96 9.319 -2.898 2.448 1.00 0.44 H new ATOM 0 HB3 LEU B 96 7.646 -2.652 1.988 1.00 0.44 H new ATOM 0 HG LEU B 96 8.603 -5.317 3.040 1.00 0.53 H new ATOM 0 HD11 LEU B 96 7.864 -4.623 5.279 1.00 0.58 H new ATOM 0 HD12 LEU B 96 9.240 -3.651 4.704 1.00 0.58 H new ATOM 0 HD13 LEU B 96 7.595 -2.971 4.675 1.00 0.58 H new ATOM 0 HD21 LEU B 96 6.227 -5.533 3.683 1.00 0.70 H new ATOM 0 HD22 LEU B 96 5.905 -3.919 3.005 1.00 0.70 H new ATOM 0 HD23 LEU B 96 6.414 -5.247 1.936 1.00 0.70 H new ATOM 2964 N THR B 97 7.399 -2.500 -0.637 1.00 0.39 N ATOM 2965 CA THR B 97 7.142 -1.481 -1.637 1.00 0.39 C ATOM 2966 C THR B 97 6.981 -0.104 -0.992 1.00 0.37 C ATOM 2967 O THR B 97 6.136 0.084 -0.115 1.00 0.46 O ATOM 2968 CB THR B 97 5.867 -1.827 -2.425 1.00 0.46 C ATOM 2969 OG1 THR B 97 5.491 -3.187 -2.157 1.00 0.83 O ATOM 2970 CG2 THR B 97 6.078 -1.638 -3.919 1.00 0.78 C ATOM 0 H THR B 97 6.560 -2.851 -0.176 1.00 0.39 H new ATOM 0 HA THR B 97 7.996 -1.451 -2.313 1.00 0.39 H new ATOM 0 HB THR B 97 5.072 -1.154 -2.105 1.00 0.46 H new ATOM 0 HG1 THR B 97 4.678 -3.406 -2.658 1.00 0.83 H new ATOM 0 HG21 THR B 97 5.160 -1.890 -4.451 1.00 0.78 H new ATOM 0 HG22 THR B 97 6.341 -0.600 -4.121 1.00 0.78 H new ATOM 0 HG23 THR B 97 6.884 -2.289 -4.258 1.00 0.78 H new ATOM 2978 N VAL B 98 7.796 0.847 -1.419 1.00 0.33 N ATOM 2979 CA VAL B 98 7.740 2.202 -0.887 1.00 0.31 C ATOM 2980 C VAL B 98 7.447 3.197 -2.004 1.00 0.30 C ATOM 2981 O VAL B 98 7.811 2.966 -3.155 1.00 0.36 O ATOM 2982 CB VAL B 98 9.055 2.591 -0.174 1.00 0.31 C ATOM 2983 CG1 VAL B 98 9.221 1.801 1.115 1.00 0.37 C ATOM 2984 CG2 VAL B 98 10.251 2.380 -1.092 1.00 0.34 C ATOM 0 H VAL B 98 8.508 0.706 -2.136 1.00 0.33 H new ATOM 0 HA VAL B 98 6.935 2.232 -0.152 1.00 0.31 H new ATOM 0 HB VAL B 98 9.004 3.650 0.078 1.00 0.31 H new ATOM 0 HG11 VAL B 98 10.153 2.090 1.601 1.00 0.37 H new ATOM 0 HG12 VAL B 98 8.384 2.011 1.781 1.00 0.37 H new ATOM 0 HG13 VAL B 98 9.245 0.735 0.888 1.00 0.37 H new ATOM 0 HG21 VAL B 98 11.165 2.660 -0.569 1.00 0.34 H new ATOM 0 HG22 VAL B 98 10.306 1.331 -1.382 1.00 0.34 H new ATOM 0 HG23 VAL B 98 10.139 2.998 -1.983 1.00 0.34 H new ATOM 2994 N HIS B 99 6.772 4.285 -1.672 1.00 0.29 N ATOM 2995 CA HIS B 99 6.435 5.308 -2.661 1.00 0.31 C ATOM 2996 C HIS B 99 7.352 6.514 -2.517 1.00 0.30 C ATOM 2997 O HIS B 99 7.671 6.925 -1.408 1.00 0.47 O ATOM 2998 CB HIS B 99 4.977 5.750 -2.508 1.00 0.38 C ATOM 2999 CG HIS B 99 4.134 5.507 -3.724 1.00 0.47 C ATOM 3000 ND1 HIS B 99 2.954 4.800 -3.682 1.00 0.68 N ATOM 3001 CD2 HIS B 99 4.298 5.881 -5.019 1.00 0.71 C ATOM 3002 CE1 HIS B 99 2.429 4.750 -4.890 1.00 0.81 C ATOM 3003 NE2 HIS B 99 3.222 5.392 -5.720 1.00 0.81 N ATOM 0 H HIS B 99 6.445 4.487 -0.727 1.00 0.29 H new ATOM 0 HA HIS B 99 6.571 4.874 -3.652 1.00 0.31 H new ATOM 0 HB2 HIS B 99 4.536 5.224 -1.662 1.00 0.38 H new ATOM 0 HB3 HIS B 99 4.954 6.813 -2.269 1.00 0.38 H new ATOM 0 HD1 HIS B 99 2.549 4.380 -2.846 1.00 0.68 H new ATOM 0 HD2 HIS B 99 5.119 6.455 -5.422 1.00 0.71 H new ATOM 0 HE1 HIS B 99 1.502 4.263 -5.154 1.00 0.81 H new ATOM 3012 N LEU B 100 7.780 7.068 -3.638 1.00 0.31 N ATOM 3013 CA LEU B 100 8.653 8.233 -3.628 1.00 0.32 C ATOM 3014 C LEU B 100 7.853 9.495 -3.945 1.00 0.32 C ATOM 3015 O LEU B 100 7.344 9.652 -5.056 1.00 0.40 O ATOM 3016 CB LEU B 100 9.783 8.048 -4.645 1.00 0.37 C ATOM 3017 CG LEU B 100 10.942 9.036 -4.524 1.00 0.50 C ATOM 3018 CD1 LEU B 100 12.269 8.290 -4.483 1.00 0.85 C ATOM 3019 CD2 LEU B 100 10.916 10.028 -5.677 1.00 0.91 C ATOM 0 H LEU B 100 7.538 6.730 -4.569 1.00 0.31 H new ATOM 0 HA LEU B 100 9.089 8.340 -2.635 1.00 0.32 H new ATOM 0 HB2 LEU B 100 10.178 7.037 -4.544 1.00 0.37 H new ATOM 0 HB3 LEU B 100 9.363 8.128 -5.648 1.00 0.37 H new ATOM 0 HG LEU B 100 10.832 9.593 -3.593 1.00 0.50 H new ATOM 0 HD11 LEU B 100 13.086 9.006 -4.397 1.00 0.85 H new ATOM 0 HD12 LEU B 100 12.283 7.619 -3.624 1.00 0.85 H new ATOM 0 HD13 LEU B 100 12.389 7.711 -5.399 1.00 0.85 H new ATOM 0 HD21 LEU B 100 11.748 10.725 -5.576 1.00 0.91 H new ATOM 0 HD22 LEU B 100 11.005 9.491 -6.621 1.00 0.91 H new ATOM 0 HD23 LEU B 100 9.976 10.580 -5.661 1.00 0.91 H new ATOM 3031 N VAL B 101 7.725 10.377 -2.963 1.00 0.30 N ATOM 3032 CA VAL B 101 6.978 11.620 -3.136 1.00 0.32 C ATOM 3033 C VAL B 101 7.798 12.821 -2.667 1.00 0.33 C ATOM 3034 O VAL B 101 8.907 12.664 -2.153 1.00 0.38 O ATOM 3035 CB VAL B 101 5.638 11.595 -2.363 1.00 0.39 C ATOM 3036 CG1 VAL B 101 4.717 10.504 -2.899 1.00 0.50 C ATOM 3037 CG2 VAL B 101 5.879 11.414 -0.871 1.00 0.52 C ATOM 0 H VAL B 101 8.130 10.256 -2.034 1.00 0.30 H new ATOM 0 HA VAL B 101 6.768 11.714 -4.202 1.00 0.32 H new ATOM 0 HB VAL B 101 5.145 12.555 -2.515 1.00 0.39 H new ATOM 0 HG11 VAL B 101 3.783 10.509 -2.338 1.00 0.50 H new ATOM 0 HG12 VAL B 101 4.509 10.689 -3.953 1.00 0.50 H new ATOM 0 HG13 VAL B 101 5.201 9.533 -2.790 1.00 0.50 H new ATOM 0 HG21 VAL B 101 4.923 11.399 -0.347 1.00 0.52 H new ATOM 0 HG22 VAL B 101 6.402 10.473 -0.698 1.00 0.52 H new ATOM 0 HG23 VAL B 101 6.485 12.240 -0.497 1.00 0.52 H new ATOM 3047 N ILE B 102 7.246 14.015 -2.848 1.00 0.36 N ATOM 3048 CA ILE B 102 7.912 15.245 -2.437 1.00 0.41 C ATOM 3049 C ILE B 102 6.967 16.084 -1.582 1.00 0.51 C ATOM 3050 O ILE B 102 6.352 17.043 -2.058 1.00 0.79 O ATOM 3051 CB ILE B 102 8.400 16.077 -3.650 1.00 0.52 C ATOM 3052 CG1 ILE B 102 7.323 16.141 -4.740 1.00 0.71 C ATOM 3053 CG2 ILE B 102 9.687 15.488 -4.212 1.00 0.76 C ATOM 3054 CD1 ILE B 102 7.602 17.173 -5.812 1.00 1.32 C ATOM 0 H ILE B 102 6.333 14.158 -3.280 1.00 0.36 H new ATOM 0 HA ILE B 102 8.790 14.965 -1.855 1.00 0.41 H new ATOM 0 HB ILE B 102 8.598 17.093 -3.308 1.00 0.52 H new ATOM 0 HG12 ILE B 102 7.233 15.160 -5.207 1.00 0.71 H new ATOM 0 HG13 ILE B 102 6.362 16.363 -4.276 1.00 0.71 H new ATOM 0 HG21 ILE B 102 10.018 16.083 -5.063 1.00 0.76 H new ATOM 0 HG22 ILE B 102 10.458 15.497 -3.442 1.00 0.76 H new ATOM 0 HG23 ILE B 102 9.508 14.462 -4.534 1.00 0.76 H new ATOM 0 HD11 ILE B 102 6.798 17.160 -6.548 1.00 1.32 H new ATOM 0 HD12 ILE B 102 7.663 18.162 -5.358 1.00 1.32 H new ATOM 0 HD13 ILE B 102 8.547 16.941 -6.303 1.00 1.32 H new ATOM 3066 N LYS B 103 6.833 15.703 -0.320 1.00 0.59 N ATOM 3067 CA LYS B 103 5.944 16.401 0.594 1.00 0.76 C ATOM 3068 C LYS B 103 6.665 16.750 1.888 1.00 0.91 C ATOM 3069 O LYS B 103 7.342 15.865 2.453 1.00 1.07 O ATOM 3070 CB LYS B 103 4.711 15.543 0.893 1.00 0.86 C ATOM 3071 CG LYS B 103 3.870 15.220 -0.334 1.00 1.00 C ATOM 3072 CD LYS B 103 3.126 16.446 -0.832 1.00 1.15 C ATOM 3073 CE LYS B 103 2.695 16.289 -2.281 1.00 1.32 C ATOM 3074 NZ LYS B 103 2.093 17.538 -2.814 1.00 1.74 N ATOM 3075 OXT LYS B 103 6.555 17.910 2.335 1.00 1.20 O ATOM 0 H LYS B 103 7.329 14.914 0.094 1.00 0.59 H new ATOM 0 HA LYS B 103 5.624 17.328 0.118 1.00 0.76 H new ATOM 0 HB2 LYS B 103 5.033 14.610 1.356 1.00 0.86 H new ATOM 0 HB3 LYS B 103 4.088 16.062 1.622 1.00 0.86 H new ATOM 0 HG2 LYS B 103 4.512 14.835 -1.126 1.00 1.00 H new ATOM 0 HG3 LYS B 103 3.156 14.433 -0.091 1.00 1.00 H new ATOM 0 HD2 LYS B 103 2.249 16.619 -0.208 1.00 1.15 H new ATOM 0 HD3 LYS B 103 3.764 17.324 -0.735 1.00 1.15 H new ATOM 0 HE2 LYS B 103 3.556 16.012 -2.889 1.00 1.32 H new ATOM 0 HE3 LYS B 103 1.974 15.475 -2.360 1.00 1.32 H new ATOM 0 HZ1 LYS B 103 1.811 17.392 -3.804 1.00 1.74 H new ATOM 0 HZ2 LYS B 103 1.256 17.789 -2.249 1.00 1.74 H new ATOM 0 HZ3 LYS B 103 2.789 18.309 -2.762 1.00 1.74 H new TER 3089 LYS B 103