USER MOD reduce.3.24.130724 H: found=0, std=0, add=1172, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1172 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 26 SER OG : rot -69:sc= 1.27 USER MOD Set 1.2: B 28 GLN : amide:sc= 0 X(o=1.3,f=0.77) USER MOD Set 2.1: B 23 MET CE :methyl -158:sc= -0.913 (180deg=-1.67) USER MOD Set 2.2: B 27 TYR OH : rot 180:sc= 0 USER MOD Set 2.3: B 42 HIS : no HD1:sc= -0.986 K(o=-1.9,f=-4.8!) USER MOD Set 3.1: A 47 LYS NZ :NH3+ 153:sc= -0.0621 (180deg=-0.162) USER MOD Set 3.2: A 51 THR OG1 : rot 20:sc= -0.309 USER MOD Set 4.1: A 44 CYS SG : rot 87:sc= 0.136 USER MOD Set 4.2: B 55 MET CE :methyl -164:sc= -1.1 (180deg=-1.64) USER MOD Set 5.1: A 26 SER OG : rot -112:sc= 1.35 USER MOD Set 5.2: A 28 GLN : amide:sc= 0.473 K(o=1.8,f=0.49) USER MOD Set 6.1: A 23 MET CE :methyl -130:sc= -3.04! (180deg=-5.7!) USER MOD Set 6.2: A 42 HIS : +bothHN:sc= 0.563 K(o=-2.5,f=-10!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 152:sc= 0.721 (180deg=0.0876) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.0709 F(o=-1.2,f=-0.071) USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 71:sc= 0.518 USER MOD Single : A 25 MET CE :methyl -141:sc= -2.53! (180deg=-4.15!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.136 K(o=0.14,f=-4.3!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 40 ASN :FLIP amide:sc= -0.0126 F(o=-1.6!,f=-0.013) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= -0.0178 (180deg=-0.0178) USER MOD Single : A 57 THR OG1 : rot 52:sc= -0.597 USER MOD Single : A 58 SER OG : rot 68:sc= 1.16 USER MOD Single : A 62 LYS NZ :NH3+ -139:sc= -1.52! (180deg=-3.98!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ 139:sc= 1.3 (180deg=0.639) USER MOD Single : B 9 GLN : amide:sc= -1.45 K(o=-1.5,f=-2.3) USER MOD Single : B -1 GLY N :NH3+ -134:sc= 0.0982 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 17 THR OG1 : rot 82:sc= 1.22 USER MOD Single : B 25 MET CE :methyl -149:sc= 0 (180deg=-0.123) USER MOD Single : B 32 ASN : amide:sc= -0.0401 K(o=-0.04,f=-2.8) USER MOD Single : B 33 ASN : amide:sc= -0.0357 K(o=-0.036,f=-1.8!) USER MOD Single : B 40 ASN : amide:sc= -0.427 X(o=-0.43,f=0) USER MOD Single : B 44 CYS SG : rot 180:sc= 0 USER MOD Single : B 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 THR OG1 : rot -20:sc= 1.12 USER MOD Single : B 57 THR OG1 : rot 62:sc= 1.02 USER MOD Single : B 58 SER OG : rot 71:sc= 0.446 USER MOD Single : B 62 LYS NZ :NH3+ -172:sc= 1.26 (180deg=1.13) USER MOD Single : B 64 SER OG : rot 180:sc= -0.0193 USER MOD Single : B 68 TYR OH : rot 180:sc= 0 USER MOD Single : B 72 LYS NZ :NH3+ 167:sc= 1.26 (180deg=1.02) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -16.409 -22.889 2.068 1.00 4.91 N ATOM 2 CA GLY A -1 -16.953 -21.640 1.488 1.00 4.20 C ATOM 3 C GLY A -1 -16.294 -20.417 2.083 1.00 3.49 C ATOM 4 O GLY A -1 -15.106 -20.178 1.860 1.00 3.95 O ATOM 0 H1 GLY A -1 -16.884 -23.708 1.637 1.00 4.91 H new ATOM 0 H2 GLY A -1 -15.388 -22.943 1.880 1.00 4.91 H new ATOM 0 H3 GLY A -1 -16.573 -22.895 3.095 1.00 4.91 H new ATOM 0 HA2 GLY A -1 -16.805 -21.645 0.408 1.00 4.20 H new ATOM 0 HA3 GLY A -1 -18.028 -21.596 1.662 1.00 4.20 H new ATOM 10 N ALA A 0 -17.070 -19.659 2.855 1.00 2.77 N ATOM 11 CA ALA A 0 -16.577 -18.484 3.564 1.00 2.34 C ATOM 12 C ALA A 0 -16.010 -17.444 2.611 1.00 1.88 C ATOM 13 O ALA A 0 -14.794 -17.281 2.493 1.00 2.13 O ATOM 14 CB ALA A 0 -15.539 -18.881 4.603 1.00 2.62 C ATOM 0 H ALA A 0 -18.062 -19.845 3.006 1.00 2.77 H new ATOM 0 HA ALA A 0 -17.427 -18.030 4.074 1.00 2.34 H new ATOM 0 HB1 ALA A 0 -15.184 -17.990 5.121 1.00 2.62 H new ATOM 0 HB2 ALA A 0 -15.988 -19.565 5.323 1.00 2.62 H new ATOM 0 HB3 ALA A 0 -14.700 -19.373 4.110 1.00 2.62 H new ATOM 20 N MET A 1 -16.896 -16.743 1.930 1.00 1.70 N ATOM 21 CA MET A 1 -16.485 -15.676 1.030 1.00 1.40 C ATOM 22 C MET A 1 -16.464 -14.339 1.759 1.00 1.10 C ATOM 23 O MET A 1 -17.485 -13.884 2.281 1.00 1.16 O ATOM 24 CB MET A 1 -17.394 -15.609 -0.201 1.00 1.82 C ATOM 25 CG MET A 1 -18.878 -15.553 0.124 1.00 2.44 C ATOM 26 SD MET A 1 -19.913 -15.540 -1.351 1.00 2.97 S ATOM 27 CE MET A 1 -21.544 -15.538 -0.609 1.00 3.26 C ATOM 0 H MET A 1 -17.904 -16.891 1.981 1.00 1.70 H new ATOM 0 HA MET A 1 -15.475 -15.897 0.686 1.00 1.40 H new ATOM 0 HB2 MET A 1 -17.128 -14.730 -0.788 1.00 1.82 H new ATOM 0 HB3 MET A 1 -17.203 -16.480 -0.828 1.00 1.82 H new ATOM 0 HG2 MET A 1 -19.143 -16.411 0.741 1.00 2.44 H new ATOM 0 HG3 MET A 1 -19.083 -14.660 0.715 1.00 2.44 H new ATOM 0 HE1 MET A 1 -22.301 -15.530 -1.394 1.00 3.26 H new ATOM 0 HE2 MET A 1 -21.666 -16.431 0.004 1.00 3.26 H new ATOM 0 HE3 MET A 1 -21.659 -14.651 0.015 1.00 3.26 H new ATOM 37 N PRO A 2 -15.282 -13.712 1.821 1.00 0.85 N ATOM 38 CA PRO A 2 -15.086 -12.424 2.493 1.00 0.63 C ATOM 39 C PRO A 2 -15.937 -11.316 1.884 1.00 0.57 C ATOM 40 O PRO A 2 -15.937 -11.113 0.665 1.00 0.68 O ATOM 41 CB PRO A 2 -13.593 -12.128 2.279 1.00 0.60 C ATOM 42 CG PRO A 2 -13.193 -12.981 1.127 1.00 0.79 C ATOM 43 CD PRO A 2 -14.033 -14.218 1.238 1.00 0.89 C ATOM 0 HA PRO A 2 -15.380 -12.467 3.542 1.00 0.63 H new ATOM 0 HB2 PRO A 2 -13.427 -11.072 2.065 1.00 0.60 H new ATOM 0 HB3 PRO A 2 -13.011 -12.368 3.169 1.00 0.60 H new ATOM 0 HG2 PRO A 2 -13.369 -12.470 0.180 1.00 0.79 H new ATOM 0 HG3 PRO A 2 -12.131 -13.222 1.167 1.00 0.79 H new ATOM 0 HD2 PRO A 2 -14.199 -14.682 0.266 1.00 0.89 H new ATOM 0 HD3 PRO A 2 -13.565 -14.969 1.874 1.00 0.89 H new ATOM 51 N SER A 3 -16.656 -10.604 2.738 1.00 0.51 N ATOM 52 CA SER A 3 -17.471 -9.486 2.298 1.00 0.45 C ATOM 53 C SER A 3 -16.573 -8.323 1.888 1.00 0.34 C ATOM 54 O SER A 3 -15.391 -8.301 2.231 1.00 0.30 O ATOM 55 CB SER A 3 -18.414 -9.047 3.420 1.00 0.50 C ATOM 56 OG SER A 3 -19.035 -10.169 4.027 1.00 0.72 O ATOM 0 H SER A 3 -16.691 -10.782 3.742 1.00 0.51 H new ATOM 0 HA SER A 3 -18.067 -9.798 1.440 1.00 0.45 H new ATOM 0 HB2 SER A 3 -17.857 -8.485 4.170 1.00 0.50 H new ATOM 0 HB3 SER A 3 -19.175 -8.377 3.020 1.00 0.50 H new ATOM 0 HG SER A 3 -19.632 -9.865 4.742 1.00 0.72 H new ATOM 62 N LYS A 4 -17.124 -7.362 1.164 1.00 0.32 N ATOM 63 CA LYS A 4 -16.365 -6.208 0.715 1.00 0.28 C ATOM 64 C LYS A 4 -15.777 -5.433 1.911 1.00 0.22 C ATOM 65 O LYS A 4 -14.756 -4.756 1.785 1.00 0.22 O ATOM 66 CB LYS A 4 -17.281 -5.350 -0.174 1.00 0.36 C ATOM 67 CG LYS A 4 -17.450 -3.915 0.269 1.00 0.88 C ATOM 68 CD LYS A 4 -18.559 -3.189 -0.499 1.00 0.88 C ATOM 69 CE LYS A 4 -18.638 -3.645 -1.942 1.00 0.40 C ATOM 70 NZ LYS A 4 -19.671 -4.704 -2.142 1.00 1.69 N ATOM 0 H LYS A 4 -18.102 -7.360 0.873 1.00 0.32 H new ATOM 0 HA LYS A 4 -15.504 -6.519 0.123 1.00 0.28 H new ATOM 0 HB2 LYS A 4 -16.884 -5.355 -1.189 1.00 0.36 H new ATOM 0 HB3 LYS A 4 -18.264 -5.819 -0.214 1.00 0.36 H new ATOM 0 HG2 LYS A 4 -17.676 -3.892 1.335 1.00 0.88 H new ATOM 0 HG3 LYS A 4 -16.509 -3.383 0.131 1.00 0.88 H new ATOM 0 HD2 LYS A 4 -19.516 -3.367 -0.009 1.00 0.88 H new ATOM 0 HD3 LYS A 4 -18.379 -2.114 -0.467 1.00 0.88 H new ATOM 0 HE2 LYS A 4 -18.867 -2.791 -2.579 1.00 0.40 H new ATOM 0 HE3 LYS A 4 -17.665 -4.024 -2.255 1.00 0.40 H new ATOM 0 HZ1 LYS A 4 -20.032 -4.658 -3.116 1.00 1.69 H new ATOM 0 HZ2 LYS A 4 -19.247 -5.639 -1.974 1.00 1.69 H new ATOM 0 HZ3 LYS A 4 -20.455 -4.555 -1.475 1.00 1.69 H new ATOM 84 N LEU A 5 -16.410 -5.563 3.076 1.00 0.22 N ATOM 85 CA LEU A 5 -15.889 -4.975 4.308 1.00 0.22 C ATOM 86 C LEU A 5 -14.685 -5.749 4.823 1.00 0.22 C ATOM 87 O LEU A 5 -13.744 -5.162 5.348 1.00 0.24 O ATOM 88 CB LEU A 5 -16.986 -4.879 5.373 1.00 0.25 C ATOM 89 CG LEU A 5 -16.531 -4.492 6.783 1.00 0.29 C ATOM 90 CD1 LEU A 5 -17.546 -3.560 7.426 1.00 0.32 C ATOM 91 CD2 LEU A 5 -16.349 -5.731 7.648 1.00 0.34 C ATOM 0 H LEU A 5 -17.286 -6.072 3.192 1.00 0.22 H new ATOM 0 HA LEU A 5 -15.554 -3.963 4.081 1.00 0.22 H new ATOM 0 HB2 LEU A 5 -17.724 -4.149 5.039 1.00 0.25 H new ATOM 0 HB3 LEU A 5 -17.493 -5.842 5.429 1.00 0.25 H new ATOM 0 HG LEU A 5 -15.573 -3.978 6.703 1.00 0.29 H new ATOM 0 HD11 LEU A 5 -17.211 -3.292 8.428 1.00 0.32 H new ATOM 0 HD12 LEU A 5 -17.644 -2.657 6.823 1.00 0.32 H new ATOM 0 HD13 LEU A 5 -18.512 -4.061 7.488 1.00 0.32 H new ATOM 0 HD21 LEU A 5 -16.026 -5.434 8.646 1.00 0.34 H new ATOM 0 HD22 LEU A 5 -17.295 -6.268 7.718 1.00 0.34 H new ATOM 0 HD23 LEU A 5 -15.596 -6.380 7.201 1.00 0.34 H new ATOM 103 N ALA A 6 -14.716 -7.066 4.690 1.00 0.23 N ATOM 104 CA ALA A 6 -13.543 -7.871 5.002 1.00 0.24 C ATOM 105 C ALA A 6 -12.340 -7.355 4.223 1.00 0.22 C ATOM 106 O ALA A 6 -11.235 -7.289 4.751 1.00 0.24 O ATOM 107 CB ALA A 6 -13.792 -9.344 4.698 1.00 0.28 C ATOM 0 H ALA A 6 -15.528 -7.595 4.373 1.00 0.23 H new ATOM 0 HA ALA A 6 -13.337 -7.785 6.069 1.00 0.24 H new ATOM 0 HB1 ALA A 6 -12.900 -9.921 4.940 1.00 0.28 H new ATOM 0 HB2 ALA A 6 -14.630 -9.702 5.296 1.00 0.28 H new ATOM 0 HB3 ALA A 6 -14.025 -9.463 3.640 1.00 0.28 H new ATOM 113 N LEU A 7 -12.580 -6.945 2.979 1.00 0.20 N ATOM 114 CA LEU A 7 -11.523 -6.395 2.136 1.00 0.19 C ATOM 115 C LEU A 7 -11.017 -5.055 2.671 1.00 0.18 C ATOM 116 O LEU A 7 -9.819 -4.881 2.872 1.00 0.18 O ATOM 117 CB LEU A 7 -12.044 -6.190 0.708 1.00 0.20 C ATOM 118 CG LEU A 7 -12.070 -7.424 -0.204 1.00 0.23 C ATOM 119 CD1 LEU A 7 -12.866 -8.564 0.412 1.00 0.26 C ATOM 120 CD2 LEU A 7 -12.656 -7.043 -1.553 1.00 0.25 C ATOM 0 H LEU A 7 -13.497 -6.984 2.534 1.00 0.20 H new ATOM 0 HA LEU A 7 -10.698 -7.108 2.140 1.00 0.19 H new ATOM 0 HB2 LEU A 7 -13.057 -5.792 0.770 1.00 0.20 H new ATOM 0 HB3 LEU A 7 -11.431 -5.427 0.229 1.00 0.20 H new ATOM 0 HG LEU A 7 -11.046 -7.774 -0.332 1.00 0.23 H new ATOM 0 HD11 LEU A 7 -12.860 -9.419 -0.264 1.00 0.26 H new ATOM 0 HD12 LEU A 7 -12.416 -8.850 1.362 1.00 0.26 H new ATOM 0 HD13 LEU A 7 -13.893 -8.241 0.580 1.00 0.26 H new ATOM 0 HD21 LEU A 7 -12.675 -7.919 -2.202 1.00 0.25 H new ATOM 0 HD22 LEU A 7 -13.671 -6.670 -1.417 1.00 0.25 H new ATOM 0 HD23 LEU A 7 -12.043 -6.266 -2.010 1.00 0.25 H new ATOM 132 N ILE A 8 -11.935 -4.118 2.919 1.00 0.17 N ATOM 133 CA ILE A 8 -11.554 -2.795 3.425 1.00 0.17 C ATOM 134 C ILE A 8 -10.874 -2.880 4.795 1.00 0.18 C ATOM 135 O ILE A 8 -9.957 -2.114 5.083 1.00 0.20 O ATOM 136 CB ILE A 8 -12.744 -1.789 3.444 1.00 0.18 C ATOM 137 CG1 ILE A 8 -13.997 -2.403 4.049 1.00 0.20 C ATOM 138 CG2 ILE A 8 -13.022 -1.253 2.046 1.00 0.19 C ATOM 139 CD1 ILE A 8 -14.151 -2.101 5.522 1.00 0.24 C ATOM 0 H ILE A 8 -12.937 -4.247 2.780 1.00 0.17 H new ATOM 0 HA ILE A 8 -10.824 -2.402 2.717 1.00 0.17 H new ATOM 0 HB ILE A 8 -12.453 -0.954 4.082 1.00 0.18 H new ATOM 0 HG12 ILE A 8 -14.871 -2.032 3.514 1.00 0.20 H new ATOM 0 HG13 ILE A 8 -13.971 -3.483 3.906 1.00 0.20 H new ATOM 0 HG21 ILE A 8 -13.857 -0.553 2.084 1.00 0.19 H new ATOM 0 HG22 ILE A 8 -12.136 -0.742 1.670 1.00 0.19 H new ATOM 0 HG23 ILE A 8 -13.273 -2.080 1.382 1.00 0.19 H new ATOM 0 HD11 ILE A 8 -15.063 -2.566 5.895 1.00 0.24 H new ATOM 0 HD12 ILE A 8 -13.293 -2.496 6.066 1.00 0.24 H new ATOM 0 HD13 ILE A 8 -14.208 -1.022 5.668 1.00 0.24 H new ATOM 151 N GLN A 9 -11.304 -3.821 5.626 1.00 0.19 N ATOM 152 CA GLN A 9 -10.694 -4.016 6.938 1.00 0.21 C ATOM 153 C GLN A 9 -9.298 -4.628 6.825 1.00 0.22 C ATOM 154 O GLN A 9 -8.396 -4.275 7.590 1.00 0.24 O ATOM 155 CB GLN A 9 -11.574 -4.905 7.820 1.00 0.22 C ATOM 156 CG GLN A 9 -12.844 -4.225 8.303 1.00 0.29 C ATOM 157 CD GLN A 9 -12.574 -3.092 9.276 1.00 0.90 C ATOM 158 OE1 GLN A 9 -11.519 -3.220 10.068 1.00 1.82 O flip ATOM 159 NE2 GLN A 9 -13.321 -2.117 9.330 1.00 1.37 N flip ATOM 0 H GLN A 9 -12.071 -4.460 5.417 1.00 0.19 H new ATOM 0 HA GLN A 9 -10.602 -3.032 7.398 1.00 0.21 H new ATOM 0 HB2 GLN A 9 -11.843 -5.802 7.262 1.00 0.22 H new ATOM 0 HB3 GLN A 9 -10.995 -5.229 8.685 1.00 0.22 H new ATOM 0 HG2 GLN A 9 -13.391 -3.837 7.444 1.00 0.29 H new ATOM 0 HG3 GLN A 9 -13.486 -4.964 8.783 1.00 0.29 H new ATOM 0 HE21 GLN A 9 -14.124 -2.054 8.704 1.00 1.37 H new ATOM 0 HE22 GLN A 9 -13.138 -1.371 10.001 1.00 1.37 H new ATOM 168 N GLU A 10 -9.128 -5.575 5.908 1.00 0.21 N ATOM 169 CA GLU A 10 -7.841 -6.238 5.725 1.00 0.23 C ATOM 170 C GLU A 10 -6.841 -5.388 4.955 1.00 0.21 C ATOM 171 O GLU A 10 -5.647 -5.643 5.042 1.00 0.22 O ATOM 172 CB GLU A 10 -7.989 -7.624 5.083 1.00 0.25 C ATOM 173 CG GLU A 10 -8.405 -7.607 3.621 1.00 0.24 C ATOM 174 CD GLU A 10 -8.354 -8.987 2.998 1.00 0.39 C ATOM 175 OE1 GLU A 10 -7.242 -9.545 2.886 1.00 1.15 O ATOM 176 OE2 GLU A 10 -9.412 -9.519 2.611 1.00 1.11 O ATOM 0 H GLU A 10 -9.864 -5.900 5.281 1.00 0.21 H new ATOM 0 HA GLU A 10 -7.438 -6.376 6.728 1.00 0.23 H new ATOM 0 HB2 GLU A 10 -7.040 -8.153 5.170 1.00 0.25 H new ATOM 0 HB3 GLU A 10 -8.725 -8.195 5.649 1.00 0.25 H new ATOM 0 HG2 GLU A 10 -9.416 -7.209 3.537 1.00 0.24 H new ATOM 0 HG3 GLU A 10 -7.751 -6.935 3.066 1.00 0.24 H new ATOM 183 N LEU A 11 -7.321 -4.422 4.169 1.00 0.18 N ATOM 184 CA LEU A 11 -6.429 -3.537 3.406 1.00 0.18 C ATOM 185 C LEU A 11 -5.239 -3.047 4.254 1.00 0.18 C ATOM 186 O LEU A 11 -4.094 -3.139 3.808 1.00 0.17 O ATOM 187 CB LEU A 11 -7.184 -2.331 2.821 1.00 0.19 C ATOM 188 CG LEU A 11 -8.261 -2.657 1.784 1.00 0.20 C ATOM 189 CD1 LEU A 11 -8.847 -1.380 1.210 1.00 0.26 C ATOM 190 CD2 LEU A 11 -7.700 -3.528 0.673 1.00 0.25 C ATOM 0 H LEU A 11 -8.315 -4.231 4.042 1.00 0.18 H new ATOM 0 HA LEU A 11 -6.040 -4.135 2.582 1.00 0.18 H new ATOM 0 HB2 LEU A 11 -7.650 -1.786 3.642 1.00 0.19 H new ATOM 0 HB3 LEU A 11 -6.458 -1.659 2.364 1.00 0.19 H new ATOM 0 HG LEU A 11 -9.055 -3.213 2.283 1.00 0.20 H new ATOM 0 HD11 LEU A 11 -9.611 -1.629 0.474 1.00 0.26 H new ATOM 0 HD12 LEU A 11 -9.293 -0.792 2.012 1.00 0.26 H new ATOM 0 HD13 LEU A 11 -8.058 -0.801 0.731 1.00 0.26 H new ATOM 0 HD21 LEU A 11 -8.486 -3.745 -0.051 1.00 0.25 H new ATOM 0 HD22 LEU A 11 -6.884 -3.003 0.176 1.00 0.25 H new ATOM 0 HD23 LEU A 11 -7.328 -4.461 1.095 1.00 0.25 H new ATOM 202 N PRO A 12 -5.476 -2.517 5.483 1.00 0.21 N ATOM 203 CA PRO A 12 -4.390 -2.135 6.394 1.00 0.25 C ATOM 204 C PRO A 12 -3.367 -3.249 6.625 1.00 0.26 C ATOM 205 O PRO A 12 -2.162 -2.996 6.657 1.00 0.28 O ATOM 206 CB PRO A 12 -5.112 -1.799 7.698 1.00 0.30 C ATOM 207 CG PRO A 12 -6.465 -1.361 7.270 1.00 0.27 C ATOM 208 CD PRO A 12 -6.798 -2.186 6.059 1.00 0.22 C ATOM 0 HA PRO A 12 -3.807 -1.311 5.982 1.00 0.25 H new ATOM 0 HB2 PRO A 12 -5.165 -2.665 8.357 1.00 0.30 H new ATOM 0 HB3 PRO A 12 -4.595 -1.012 8.247 1.00 0.30 H new ATOM 0 HG2 PRO A 12 -7.196 -1.518 8.063 1.00 0.27 H new ATOM 0 HG3 PRO A 12 -6.475 -0.297 7.033 1.00 0.27 H new ATOM 0 HD2 PRO A 12 -7.354 -3.084 6.328 1.00 0.22 H new ATOM 0 HD3 PRO A 12 -7.414 -1.629 5.353 1.00 0.22 H new ATOM 216 N ASP A 13 -3.848 -4.477 6.775 1.00 0.26 N ATOM 217 CA ASP A 13 -2.970 -5.622 6.998 1.00 0.29 C ATOM 218 C ASP A 13 -2.235 -5.990 5.718 1.00 0.25 C ATOM 219 O ASP A 13 -1.045 -6.275 5.739 1.00 0.26 O ATOM 220 CB ASP A 13 -3.765 -6.828 7.506 1.00 0.36 C ATOM 221 CG ASP A 13 -4.237 -6.655 8.934 1.00 0.98 C ATOM 222 OD1 ASP A 13 -5.346 -6.119 9.135 1.00 1.86 O ATOM 223 OD2 ASP A 13 -3.501 -7.055 9.861 1.00 1.40 O ATOM 0 H ASP A 13 -4.841 -4.707 6.746 1.00 0.26 H new ATOM 0 HA ASP A 13 -2.240 -5.341 7.757 1.00 0.29 H new ATOM 0 HB2 ASP A 13 -4.628 -6.988 6.859 1.00 0.36 H new ATOM 0 HB3 ASP A 13 -3.145 -7.722 7.438 1.00 0.36 H new ATOM 228 N ARG A 14 -2.963 -5.988 4.611 1.00 0.22 N ATOM 229 CA ARG A 14 -2.382 -6.251 3.299 1.00 0.22 C ATOM 230 C ARG A 14 -1.235 -5.302 2.993 1.00 0.20 C ATOM 231 O ARG A 14 -0.230 -5.712 2.430 1.00 0.22 O ATOM 232 CB ARG A 14 -3.433 -6.135 2.200 1.00 0.28 C ATOM 233 CG ARG A 14 -4.327 -7.351 2.068 1.00 0.53 C ATOM 234 CD ARG A 14 -5.340 -7.152 0.956 1.00 0.50 C ATOM 235 NE ARG A 14 -6.196 -8.320 0.766 1.00 0.95 N ATOM 236 CZ ARG A 14 -6.566 -8.783 -0.428 1.00 0.72 C ATOM 237 NH1 ARG A 14 -6.080 -8.235 -1.534 1.00 1.08 N ATOM 238 NH2 ARG A 14 -7.401 -9.809 -0.512 1.00 1.15 N ATOM 0 H ARG A 14 -3.966 -5.806 4.594 1.00 0.22 H new ATOM 0 HA ARG A 14 -1.997 -7.270 3.325 1.00 0.22 H new ATOM 0 HB2 ARG A 14 -4.054 -5.261 2.396 1.00 0.28 H new ATOM 0 HB3 ARG A 14 -2.930 -5.962 1.248 1.00 0.28 H new ATOM 0 HG2 ARG A 14 -3.721 -8.233 1.862 1.00 0.53 H new ATOM 0 HG3 ARG A 14 -4.844 -7.533 3.010 1.00 0.53 H new ATOM 0 HD2 ARG A 14 -5.959 -6.284 1.184 1.00 0.50 H new ATOM 0 HD3 ARG A 14 -4.816 -6.934 0.026 1.00 0.50 H new ATOM 0 HE ARG A 14 -6.530 -8.810 1.596 1.00 0.95 H new ATOM 0 HH11 ARG A 14 -5.422 -7.458 -1.472 1.00 1.08 H new ATOM 0 HH12 ARG A 14 -6.364 -8.591 -2.447 1.00 1.08 H new ATOM 0 HH21 ARG A 14 -7.761 -10.245 0.337 1.00 1.15 H new ATOM 0 HH22 ARG A 14 -7.684 -10.163 -1.426 1.00 1.15 H new ATOM 252 N ILE A 15 -1.400 -4.032 3.333 1.00 0.19 N ATOM 253 CA ILE A 15 -0.347 -3.043 3.122 1.00 0.20 C ATOM 254 C ILE A 15 0.753 -3.193 4.172 1.00 0.21 C ATOM 255 O ILE A 15 1.924 -2.936 3.897 1.00 0.21 O ATOM 256 CB ILE A 15 -0.925 -1.609 3.084 1.00 0.24 C ATOM 257 CG1 ILE A 15 -0.374 -0.849 1.869 1.00 0.26 C ATOM 258 CG2 ILE A 15 -0.650 -0.848 4.371 1.00 0.25 C ATOM 259 CD1 ILE A 15 1.128 -0.620 1.889 1.00 0.25 C ATOM 0 H ILE A 15 -2.251 -3.660 3.756 1.00 0.19 H new ATOM 0 HA ILE A 15 0.106 -3.226 2.148 1.00 0.20 H new ATOM 0 HB ILE A 15 -2.008 -1.690 2.989 1.00 0.24 H new ATOM 0 HG12 ILE A 15 -0.631 -1.401 0.965 1.00 0.26 H new ATOM 0 HG13 ILE A 15 -0.874 0.117 1.805 1.00 0.26 H new ATOM 0 HG21 ILE A 15 -1.074 0.154 4.299 1.00 0.25 H new ATOM 0 HG22 ILE A 15 -1.105 -1.375 5.210 1.00 0.25 H new ATOM 0 HG23 ILE A 15 0.426 -0.776 4.528 1.00 0.25 H new ATOM 0 HD11 ILE A 15 1.425 -0.077 0.992 1.00 0.25 H new ATOM 0 HD12 ILE A 15 1.396 -0.038 2.771 1.00 0.25 H new ATOM 0 HD13 ILE A 15 1.642 -1.581 1.918 1.00 0.25 H new ATOM 271 N GLN A 16 0.379 -3.622 5.369 1.00 0.23 N ATOM 272 CA GLN A 16 1.359 -3.980 6.378 1.00 0.26 C ATOM 273 C GLN A 16 2.256 -5.086 5.835 1.00 0.25 C ATOM 274 O GLN A 16 3.473 -5.038 5.976 1.00 0.29 O ATOM 275 CB GLN A 16 0.663 -4.431 7.664 1.00 0.33 C ATOM 276 CG GLN A 16 1.613 -4.930 8.738 1.00 0.78 C ATOM 277 CD GLN A 16 0.891 -5.305 10.014 1.00 1.16 C ATOM 278 OE1 GLN A 16 0.710 -4.474 10.903 1.00 1.70 O ATOM 279 NE2 GLN A 16 0.471 -6.556 10.112 1.00 1.91 N ATOM 0 H GLN A 16 -0.592 -3.729 5.662 1.00 0.23 H new ATOM 0 HA GLN A 16 1.969 -3.108 6.616 1.00 0.26 H new ATOM 0 HB2 GLN A 16 0.085 -3.598 8.063 1.00 0.33 H new ATOM 0 HB3 GLN A 16 -0.045 -5.224 7.423 1.00 0.33 H new ATOM 0 HG2 GLN A 16 2.158 -5.796 8.364 1.00 0.78 H new ATOM 0 HG3 GLN A 16 2.351 -4.158 8.954 1.00 0.78 H new ATOM 0 HE21 GLN A 16 0.642 -7.213 9.351 1.00 1.91 H new ATOM 0 HE22 GLN A 16 -0.024 -6.864 10.949 1.00 1.91 H new ATOM 288 N THR A 17 1.629 -6.061 5.190 1.00 0.23 N ATOM 289 CA THR A 17 2.327 -7.150 4.531 1.00 0.25 C ATOM 290 C THR A 17 3.050 -6.659 3.277 1.00 0.22 C ATOM 291 O THR A 17 4.132 -7.140 2.938 1.00 0.27 O ATOM 292 CB THR A 17 1.329 -8.265 4.155 1.00 0.30 C ATOM 293 OG1 THR A 17 0.621 -8.692 5.325 1.00 0.38 O ATOM 294 CG2 THR A 17 2.032 -9.456 3.526 1.00 0.32 C ATOM 0 H THR A 17 0.614 -6.116 5.111 1.00 0.23 H new ATOM 0 HA THR A 17 3.070 -7.546 5.223 1.00 0.25 H new ATOM 0 HB THR A 17 0.632 -7.858 3.423 1.00 0.30 H new ATOM 0 HG1 THR A 17 0.004 -7.986 5.610 1.00 0.38 H new ATOM 0 HG21 THR A 17 1.297 -10.221 3.274 1.00 0.32 H new ATOM 0 HG22 THR A 17 2.548 -9.137 2.621 1.00 0.32 H new ATOM 0 HG23 THR A 17 2.755 -9.866 4.231 1.00 0.32 H new ATOM 302 N ALA A 18 2.452 -5.687 2.605 1.00 0.22 N ATOM 303 CA ALA A 18 3.034 -5.094 1.412 1.00 0.23 C ATOM 304 C ALA A 18 4.398 -4.508 1.717 1.00 0.24 C ATOM 305 O ALA A 18 5.282 -4.499 0.868 1.00 0.29 O ATOM 306 CB ALA A 18 2.116 -4.020 0.850 1.00 0.26 C ATOM 0 H ALA A 18 1.552 -5.288 2.871 1.00 0.22 H new ATOM 0 HA ALA A 18 3.153 -5.879 0.665 1.00 0.23 H new ATOM 0 HB1 ALA A 18 2.567 -3.587 -0.043 1.00 0.26 H new ATOM 0 HB2 ALA A 18 1.154 -4.462 0.592 1.00 0.26 H new ATOM 0 HB3 ALA A 18 1.968 -3.240 1.597 1.00 0.26 H new ATOM 312 N VAL A 19 4.567 -4.029 2.938 1.00 0.24 N ATOM 313 CA VAL A 19 5.787 -3.336 3.285 1.00 0.29 C ATOM 314 C VAL A 19 6.549 -3.961 4.466 1.00 0.23 C ATOM 315 O VAL A 19 7.586 -3.441 4.866 1.00 0.27 O ATOM 316 CB VAL A 19 5.471 -1.856 3.571 1.00 0.49 C ATOM 317 CG1 VAL A 19 4.942 -1.661 4.983 1.00 1.09 C ATOM 318 CG2 VAL A 19 6.679 -0.985 3.305 1.00 1.77 C ATOM 0 H VAL A 19 3.884 -4.107 3.692 1.00 0.24 H new ATOM 0 HA VAL A 19 6.453 -3.426 2.427 1.00 0.29 H new ATOM 0 HB VAL A 19 4.681 -1.546 2.887 1.00 0.49 H new ATOM 0 HG11 VAL A 19 4.730 -0.605 5.149 1.00 1.09 H new ATOM 0 HG12 VAL A 19 4.027 -2.240 5.112 1.00 1.09 H new ATOM 0 HG13 VAL A 19 5.689 -1.999 5.701 1.00 1.09 H new ATOM 0 HG21 VAL A 19 6.431 0.055 3.514 1.00 1.77 H new ATOM 0 HG22 VAL A 19 7.502 -1.298 3.948 1.00 1.77 H new ATOM 0 HG23 VAL A 19 6.976 -1.084 2.261 1.00 1.77 H new ATOM 328 N GLU A 20 6.074 -5.084 5.006 1.00 0.22 N ATOM 329 CA GLU A 20 6.734 -5.694 6.171 1.00 0.25 C ATOM 330 C GLU A 20 8.154 -6.146 5.834 1.00 0.26 C ATOM 331 O GLU A 20 9.084 -5.957 6.620 1.00 0.30 O ATOM 332 CB GLU A 20 5.897 -6.850 6.759 1.00 0.28 C ATOM 333 CG GLU A 20 5.382 -7.882 5.756 1.00 0.30 C ATOM 334 CD GLU A 20 6.419 -8.904 5.332 1.00 0.96 C ATOM 335 OE1 GLU A 20 6.914 -9.653 6.197 1.00 1.93 O ATOM 336 OE2 GLU A 20 6.751 -8.955 4.132 1.00 1.32 O ATOM 0 H GLU A 20 5.252 -5.585 4.667 1.00 0.22 H new ATOM 0 HA GLU A 20 6.809 -4.926 6.941 1.00 0.25 H new ATOM 0 HB2 GLU A 20 6.501 -7.367 7.504 1.00 0.28 H new ATOM 0 HB3 GLU A 20 5.042 -6.423 7.283 1.00 0.28 H new ATOM 0 HG2 GLU A 20 4.530 -8.404 6.193 1.00 0.30 H new ATOM 0 HG3 GLU A 20 5.017 -7.362 4.871 1.00 0.30 H new ATOM 343 N ALA A 21 8.301 -6.732 4.659 1.00 0.28 N ATOM 344 CA ALA A 21 9.604 -7.129 4.149 1.00 0.32 C ATOM 345 C ALA A 21 10.556 -5.936 4.096 1.00 0.30 C ATOM 346 O ALA A 21 11.715 -6.035 4.492 1.00 0.31 O ATOM 347 CB ALA A 21 9.453 -7.750 2.770 1.00 0.40 C ATOM 0 H ALA A 21 7.525 -6.946 4.033 1.00 0.28 H new ATOM 0 HA ALA A 21 10.030 -7.869 4.827 1.00 0.32 H new ATOM 0 HB1 ALA A 21 10.433 -8.045 2.394 1.00 0.40 H new ATOM 0 HB2 ALA A 21 8.810 -8.628 2.835 1.00 0.40 H new ATOM 0 HB3 ALA A 21 9.008 -7.023 2.091 1.00 0.40 H new ATOM 353 N ALA A 22 10.050 -4.810 3.614 1.00 0.28 N ATOM 354 CA ALA A 22 10.843 -3.594 3.529 1.00 0.29 C ATOM 355 C ALA A 22 11.054 -2.957 4.905 1.00 0.31 C ATOM 356 O ALA A 22 12.084 -2.331 5.150 1.00 0.35 O ATOM 357 CB ALA A 22 10.198 -2.611 2.569 1.00 0.30 C ATOM 0 H ALA A 22 9.093 -4.714 3.276 1.00 0.28 H new ATOM 0 HA ALA A 22 11.827 -3.863 3.145 1.00 0.29 H new ATOM 0 HB1 ALA A 22 10.802 -1.705 2.515 1.00 0.30 H new ATOM 0 HB2 ALA A 22 10.130 -3.061 1.579 1.00 0.30 H new ATOM 0 HB3 ALA A 22 9.198 -2.360 2.923 1.00 0.30 H new ATOM 363 N MET A 23 10.075 -3.097 5.794 1.00 0.30 N ATOM 364 CA MET A 23 10.211 -2.591 7.159 1.00 0.35 C ATOM 365 C MET A 23 11.307 -3.354 7.891 1.00 0.40 C ATOM 366 O MET A 23 12.184 -2.754 8.515 1.00 0.46 O ATOM 367 CB MET A 23 8.900 -2.723 7.942 1.00 0.33 C ATOM 368 CG MET A 23 7.779 -1.803 7.482 1.00 0.38 C ATOM 369 SD MET A 23 8.180 -0.051 7.631 1.00 0.72 S ATOM 370 CE MET A 23 8.654 0.322 5.949 1.00 0.53 C ATOM 0 H MET A 23 9.184 -3.553 5.597 1.00 0.30 H new ATOM 0 HA MET A 23 10.470 -1.534 7.093 1.00 0.35 H new ATOM 0 HB2 MET A 23 8.555 -3.754 7.871 1.00 0.33 H new ATOM 0 HB3 MET A 23 9.102 -2.526 8.995 1.00 0.33 H new ATOM 0 HG2 MET A 23 7.540 -2.026 6.442 1.00 0.38 H new ATOM 0 HG3 MET A 23 6.884 -2.014 8.067 1.00 0.38 H new ATOM 0 HE1 MET A 23 9.613 0.840 5.948 1.00 0.53 H new ATOM 0 HE2 MET A 23 8.741 -0.605 5.381 1.00 0.53 H new ATOM 0 HE3 MET A 23 7.897 0.959 5.490 1.00 0.53 H new ATOM 380 N GLY A 24 11.271 -4.676 7.771 1.00 0.40 N ATOM 381 CA GLY A 24 12.263 -5.517 8.411 1.00 0.48 C ATOM 382 C GLY A 24 13.524 -5.655 7.583 1.00 0.46 C ATOM 383 O GLY A 24 14.338 -6.551 7.817 1.00 0.57 O ATOM 0 H GLY A 24 10.566 -5.183 7.237 1.00 0.40 H new ATOM 0 HA2 GLY A 24 12.515 -5.099 9.386 1.00 0.48 H new ATOM 0 HA3 GLY A 24 11.838 -6.505 8.588 1.00 0.48 H new ATOM 387 N MET A 25 13.675 -4.775 6.607 1.00 0.44 N ATOM 388 CA MET A 25 14.855 -4.760 5.762 1.00 0.46 C ATOM 389 C MET A 25 16.081 -4.389 6.571 1.00 0.48 C ATOM 390 O MET A 25 16.047 -3.455 7.373 1.00 0.57 O ATOM 391 CB MET A 25 14.691 -3.753 4.635 1.00 0.56 C ATOM 392 CG MET A 25 15.769 -3.864 3.579 1.00 0.53 C ATOM 393 SD MET A 25 15.177 -4.639 2.080 1.00 1.04 S ATOM 394 CE MET A 25 14.511 -3.201 1.273 1.00 0.76 C ATOM 0 H MET A 25 12.988 -4.056 6.380 1.00 0.44 H new ATOM 0 HA MET A 25 14.979 -5.759 5.344 1.00 0.46 H new ATOM 0 HB2 MET A 25 13.717 -3.895 4.168 1.00 0.56 H new ATOM 0 HB3 MET A 25 14.701 -2.746 5.051 1.00 0.56 H new ATOM 0 HG2 MET A 25 16.149 -2.869 3.345 1.00 0.53 H new ATOM 0 HG3 MET A 25 16.605 -4.439 3.976 1.00 0.53 H new ATOM 0 HE1 MET A 25 13.582 -3.465 0.768 1.00 0.76 H new ATOM 0 HE2 MET A 25 14.314 -2.426 2.014 1.00 0.76 H new ATOM 0 HE3 MET A 25 15.228 -2.829 0.541 1.00 0.76 H new ATOM 404 N SER A 26 17.161 -5.109 6.366 1.00 0.54 N ATOM 405 CA SER A 26 18.417 -4.757 6.983 1.00 0.65 C ATOM 406 C SER A 26 19.155 -3.782 6.084 1.00 0.79 C ATOM 407 O SER A 26 20.063 -4.151 5.344 1.00 1.68 O ATOM 408 CB SER A 26 19.255 -6.003 7.236 1.00 0.79 C ATOM 409 OG SER A 26 20.420 -5.698 7.987 1.00 1.67 O ATOM 0 H SER A 26 17.194 -5.941 5.777 1.00 0.54 H new ATOM 0 HA SER A 26 18.229 -4.283 7.947 1.00 0.65 H new ATOM 0 HB2 SER A 26 18.659 -6.742 7.770 1.00 0.79 H new ATOM 0 HB3 SER A 26 19.540 -6.451 6.284 1.00 0.79 H new ATOM 0 HG SER A 26 21.213 -5.823 7.425 1.00 1.67 H new ATOM 415 N TYR A 27 18.724 -2.537 6.124 1.00 0.54 N ATOM 416 CA TYR A 27 19.342 -1.482 5.340 1.00 0.44 C ATOM 417 C TYR A 27 20.536 -0.915 6.095 1.00 0.43 C ATOM 418 O TYR A 27 21.230 -0.038 5.603 1.00 0.40 O ATOM 419 CB TYR A 27 18.317 -0.382 5.030 1.00 0.40 C ATOM 420 CG TYR A 27 17.619 0.149 6.260 1.00 0.38 C ATOM 421 CD1 TYR A 27 16.600 -0.569 6.865 1.00 1.31 C ATOM 422 CD2 TYR A 27 18.001 1.352 6.835 1.00 1.19 C ATOM 423 CE1 TYR A 27 15.983 -0.111 8.000 1.00 1.32 C ATOM 424 CE2 TYR A 27 17.393 1.823 7.977 1.00 1.24 C ATOM 425 CZ TYR A 27 16.380 1.087 8.561 1.00 0.50 C ATOM 426 OH TYR A 27 15.761 1.544 9.702 1.00 0.61 O ATOM 0 H TYR A 27 17.939 -2.227 6.697 1.00 0.54 H new ATOM 0 HA TYR A 27 19.692 -1.894 4.394 1.00 0.44 H new ATOM 0 HB2 TYR A 27 18.820 0.441 4.523 1.00 0.40 H new ATOM 0 HB3 TYR A 27 17.571 -0.774 4.339 1.00 0.40 H new ATOM 0 HD1 TYR A 27 16.286 -1.508 6.434 1.00 1.31 H new ATOM 0 HD2 TYR A 27 18.790 1.930 6.378 1.00 1.19 H new ATOM 0 HE1 TYR A 27 15.189 -0.685 8.454 1.00 1.32 H new ATOM 0 HE2 TYR A 27 17.705 2.760 8.413 1.00 1.24 H new ATOM 0 HH TYR A 27 16.157 2.400 9.969 1.00 0.61 H new ATOM 436 N GLN A 28 20.773 -1.446 7.290 1.00 0.55 N ATOM 437 CA GLN A 28 21.877 -1.004 8.138 1.00 0.63 C ATOM 438 C GLN A 28 23.218 -1.357 7.507 1.00 0.66 C ATOM 439 O GLN A 28 24.236 -0.721 7.782 1.00 0.77 O ATOM 440 CB GLN A 28 21.766 -1.654 9.517 1.00 0.74 C ATOM 441 CG GLN A 28 21.883 -3.166 9.469 1.00 1.35 C ATOM 442 CD GLN A 28 21.692 -3.820 10.820 1.00 1.68 C ATOM 443 OE1 GLN A 28 22.000 -3.235 11.857 1.00 2.31 O ATOM 444 NE2 GLN A 28 21.177 -5.037 10.817 1.00 1.92 N ATOM 0 H GLN A 28 20.209 -2.192 7.698 1.00 0.55 H new ATOM 0 HA GLN A 28 21.819 0.079 8.243 1.00 0.63 H new ATOM 0 HB2 GLN A 28 22.546 -1.255 10.165 1.00 0.74 H new ATOM 0 HB3 GLN A 28 20.810 -1.383 9.965 1.00 0.74 H new ATOM 0 HG2 GLN A 28 21.142 -3.560 8.774 1.00 1.35 H new ATOM 0 HG3 GLN A 28 22.863 -3.436 9.077 1.00 1.35 H new ATOM 0 HE21 GLN A 28 20.935 -5.486 9.934 1.00 1.92 H new ATOM 0 HE22 GLN A 28 21.021 -5.527 11.698 1.00 1.92 H new ATOM 453 N ASP A 29 23.205 -2.386 6.663 1.00 0.68 N ATOM 454 CA ASP A 29 24.396 -2.807 5.933 1.00 0.81 C ATOM 455 C ASP A 29 24.827 -1.715 4.968 1.00 0.70 C ATOM 456 O ASP A 29 25.997 -1.612 4.601 1.00 0.86 O ATOM 457 CB ASP A 29 24.121 -4.100 5.162 1.00 0.95 C ATOM 458 CG ASP A 29 23.729 -5.249 6.069 1.00 1.66 C ATOM 459 OD1 ASP A 29 22.526 -5.385 6.383 1.00 2.31 O ATOM 460 OD2 ASP A 29 24.618 -6.031 6.466 1.00 2.34 O ATOM 0 H ASP A 29 22.376 -2.947 6.468 1.00 0.68 H new ATOM 0 HA ASP A 29 25.196 -2.989 6.650 1.00 0.81 H new ATOM 0 HB2 ASP A 29 23.324 -3.925 4.439 1.00 0.95 H new ATOM 0 HB3 ASP A 29 25.010 -4.377 4.595 1.00 0.95 H new ATOM 465 N ALA A 30 23.863 -0.901 4.576 1.00 0.55 N ATOM 466 CA ALA A 30 24.105 0.227 3.703 1.00 0.48 C ATOM 467 C ALA A 30 24.514 1.440 4.537 1.00 0.44 C ATOM 468 O ALA A 30 24.016 1.620 5.647 1.00 0.47 O ATOM 469 CB ALA A 30 22.848 0.521 2.891 1.00 0.47 C ATOM 0 H ALA A 30 22.888 -1.007 4.857 1.00 0.55 H new ATOM 0 HA ALA A 30 24.916 -0.005 3.012 1.00 0.48 H new ATOM 0 HB1 ALA A 30 23.030 1.371 2.233 1.00 0.47 H new ATOM 0 HB2 ALA A 30 22.589 -0.352 2.292 1.00 0.47 H new ATOM 0 HB3 ALA A 30 22.025 0.755 3.566 1.00 0.47 H new ATOM 475 N PRO A 31 25.442 2.274 4.026 1.00 0.45 N ATOM 476 CA PRO A 31 25.916 3.465 4.739 1.00 0.48 C ATOM 477 C PRO A 31 24.771 4.397 5.123 1.00 0.41 C ATOM 478 O PRO A 31 23.728 4.413 4.467 1.00 0.34 O ATOM 479 CB PRO A 31 26.866 4.154 3.752 1.00 0.57 C ATOM 480 CG PRO A 31 26.659 3.481 2.437 1.00 0.56 C ATOM 481 CD PRO A 31 26.100 2.116 2.723 1.00 0.50 C ATOM 0 HA PRO A 31 26.402 3.199 5.678 1.00 0.48 H new ATOM 0 HB2 PRO A 31 26.649 5.220 3.682 1.00 0.57 H new ATOM 0 HB3 PRO A 31 27.902 4.060 4.079 1.00 0.57 H new ATOM 0 HG2 PRO A 31 25.973 4.055 1.814 1.00 0.56 H new ATOM 0 HG3 PRO A 31 27.599 3.406 1.891 1.00 0.56 H new ATOM 0 HD2 PRO A 31 25.394 1.803 1.954 1.00 0.50 H new ATOM 0 HD3 PRO A 31 26.886 1.361 2.760 1.00 0.50 H new ATOM 489 N ASN A 32 24.996 5.190 6.170 1.00 0.45 N ATOM 490 CA ASN A 32 23.940 5.968 6.830 1.00 0.41 C ATOM 491 C ASN A 32 23.043 6.722 5.856 1.00 0.38 C ATOM 492 O ASN A 32 21.829 6.659 5.970 1.00 0.37 O ATOM 493 CB ASN A 32 24.544 6.970 7.813 1.00 0.50 C ATOM 494 CG ASN A 32 23.487 7.641 8.671 1.00 1.48 C ATOM 495 OD1 ASN A 32 22.469 7.039 9.004 1.00 2.40 O ATOM 496 ND2 ASN A 32 23.713 8.894 9.026 1.00 1.87 N ATOM 0 H ASN A 32 25.918 5.314 6.588 1.00 0.45 H new ATOM 0 HA ASN A 32 23.322 5.238 7.354 1.00 0.41 H new ATOM 0 HB2 ASN A 32 25.260 6.459 8.456 1.00 0.50 H new ATOM 0 HB3 ASN A 32 25.097 7.730 7.261 1.00 0.50 H new ATOM 0 HD21 ASN A 32 23.030 9.394 9.596 1.00 1.87 H new ATOM 0 HD22 ASN A 32 24.570 9.361 8.730 1.00 1.87 H new ATOM 503 N ASN A 33 23.614 7.422 4.892 1.00 0.42 N ATOM 504 CA ASN A 33 22.801 8.285 4.044 1.00 0.45 C ATOM 505 C ASN A 33 22.030 7.485 2.999 1.00 0.41 C ATOM 506 O ASN A 33 20.875 7.793 2.717 1.00 0.40 O ATOM 507 CB ASN A 33 23.634 9.365 3.363 1.00 0.58 C ATOM 508 CG ASN A 33 24.458 10.188 4.335 1.00 1.43 C ATOM 509 OD1 ASN A 33 24.071 10.389 5.489 1.00 2.14 O ATOM 510 ND2 ASN A 33 25.604 10.669 3.879 1.00 2.17 N ATOM 0 H ASN A 33 24.611 7.414 4.677 1.00 0.42 H new ATOM 0 HA ASN A 33 22.084 8.774 4.703 1.00 0.45 H new ATOM 0 HB2 ASN A 33 24.300 8.897 2.638 1.00 0.58 H new ATOM 0 HB3 ASN A 33 22.972 10.028 2.806 1.00 0.58 H new ATOM 0 HD21 ASN A 33 26.201 11.228 4.489 1.00 2.17 H new ATOM 0 HD22 ASN A 33 25.890 10.481 2.918 1.00 2.17 H new ATOM 517 N VAL A 34 22.649 6.453 2.432 1.00 0.42 N ATOM 518 CA VAL A 34 21.952 5.623 1.451 1.00 0.46 C ATOM 519 C VAL A 34 20.899 4.772 2.153 1.00 0.39 C ATOM 520 O VAL A 34 19.808 4.558 1.634 1.00 0.39 O ATOM 521 CB VAL A 34 22.888 4.743 0.585 1.00 0.60 C ATOM 522 CG1 VAL A 34 24.035 5.565 0.020 1.00 1.39 C ATOM 523 CG2 VAL A 34 23.405 3.545 1.349 1.00 0.61 C ATOM 0 H VAL A 34 23.610 6.175 2.628 1.00 0.42 H new ATOM 0 HA VAL A 34 21.474 6.307 0.750 1.00 0.46 H new ATOM 0 HB VAL A 34 22.296 4.363 -0.247 1.00 0.60 H new ATOM 0 HG11 VAL A 34 24.678 4.925 -0.584 1.00 1.39 H new ATOM 0 HG12 VAL A 34 23.636 6.368 -0.600 1.00 1.39 H new ATOM 0 HG13 VAL A 34 24.614 5.992 0.839 1.00 1.39 H new ATOM 0 HG21 VAL A 34 24.057 2.956 0.704 1.00 0.61 H new ATOM 0 HG22 VAL A 34 23.966 3.883 2.220 1.00 0.61 H new ATOM 0 HG23 VAL A 34 22.565 2.931 1.674 1.00 0.61 H new ATOM 533 N ARG A 35 21.228 4.295 3.352 1.00 0.37 N ATOM 534 CA ARG A 35 20.262 3.585 4.175 1.00 0.37 C ATOM 535 C ARG A 35 19.172 4.549 4.618 1.00 0.32 C ATOM 536 O ARG A 35 18.047 4.144 4.852 1.00 0.36 O ATOM 537 CB ARG A 35 20.917 2.881 5.369 1.00 0.42 C ATOM 538 CG ARG A 35 21.389 3.802 6.476 1.00 0.40 C ATOM 539 CD ARG A 35 21.984 3.038 7.654 1.00 0.50 C ATOM 540 NE ARG A 35 20.975 2.288 8.402 1.00 1.03 N ATOM 541 CZ ARG A 35 20.717 2.475 9.701 1.00 1.33 C ATOM 542 NH1 ARG A 35 21.356 3.417 10.383 1.00 1.61 N ATOM 543 NH2 ARG A 35 19.819 1.717 10.320 1.00 2.14 N ATOM 0 H ARG A 35 22.153 4.389 3.770 1.00 0.37 H new ATOM 0 HA ARG A 35 19.814 2.794 3.573 1.00 0.37 H new ATOM 0 HB2 ARG A 35 20.205 2.170 5.788 1.00 0.42 H new ATOM 0 HB3 ARG A 35 21.769 2.304 5.009 1.00 0.42 H new ATOM 0 HG2 ARG A 35 22.135 4.490 6.079 1.00 0.40 H new ATOM 0 HG3 ARG A 35 20.551 4.406 6.824 1.00 0.40 H new ATOM 0 HD2 ARG A 35 22.747 2.350 7.289 1.00 0.50 H new ATOM 0 HD3 ARG A 35 22.481 3.739 8.324 1.00 0.50 H new ATOM 0 HE ARG A 35 20.436 1.580 7.903 1.00 1.03 H new ATOM 0 HH11 ARG A 35 22.048 4.003 9.917 1.00 1.61 H new ATOM 0 HH12 ARG A 35 21.155 3.555 11.373 1.00 1.61 H new ATOM 0 HH21 ARG A 35 19.324 0.989 9.805 1.00 2.14 H new ATOM 0 HH22 ARG A 35 19.625 1.862 11.311 1.00 2.14 H new ATOM 557 N ARG A 36 19.539 5.814 4.802 1.00 0.29 N ATOM 558 CA ARG A 36 18.569 6.886 5.014 1.00 0.29 C ATOM 559 C ARG A 36 17.620 7.024 3.831 1.00 0.28 C ATOM 560 O ARG A 36 16.477 7.421 4.003 1.00 0.29 O ATOM 561 CB ARG A 36 19.239 8.223 5.304 1.00 0.33 C ATOM 562 CG ARG A 36 19.421 8.518 6.786 1.00 0.45 C ATOM 563 CD ARG A 36 19.401 7.250 7.634 1.00 0.75 C ATOM 564 NE ARG A 36 19.708 7.508 9.041 1.00 1.43 N ATOM 565 CZ ARG A 36 18.898 7.202 10.058 1.00 2.20 C ATOM 566 NH1 ARG A 36 17.693 6.693 9.832 1.00 2.57 N ATOM 567 NH2 ARG A 36 19.297 7.410 11.307 1.00 3.03 N ATOM 0 H ARG A 36 20.511 6.125 4.809 1.00 0.29 H new ATOM 0 HA ARG A 36 17.991 6.604 5.894 1.00 0.29 H new ATOM 0 HB2 ARG A 36 20.215 8.241 4.818 1.00 0.33 H new ATOM 0 HB3 ARG A 36 18.645 9.020 4.856 1.00 0.33 H new ATOM 0 HG2 ARG A 36 20.366 9.039 6.937 1.00 0.45 H new ATOM 0 HG3 ARG A 36 18.630 9.189 7.121 1.00 0.45 H new ATOM 0 HD2 ARG A 36 18.419 6.784 7.560 1.00 0.75 H new ATOM 0 HD3 ARG A 36 20.123 6.538 7.233 1.00 0.75 H new ATOM 0 HE ARG A 36 20.600 7.951 9.260 1.00 1.43 H new ATOM 0 HH11 ARG A 36 17.379 6.532 8.875 1.00 2.57 H new ATOM 0 HH12 ARG A 36 17.082 6.462 10.615 1.00 2.57 H new ATOM 0 HH21 ARG A 36 20.221 7.803 11.489 1.00 3.03 H new ATOM 0 HH22 ARG A 36 18.680 7.177 12.085 1.00 3.03 H new ATOM 581 N ASP A 37 18.096 6.776 2.624 1.00 0.30 N ATOM 582 CA ASP A 37 17.184 6.690 1.487 1.00 0.30 C ATOM 583 C ASP A 37 16.168 5.582 1.741 1.00 0.25 C ATOM 584 O ASP A 37 14.975 5.737 1.471 1.00 0.24 O ATOM 585 CB ASP A 37 17.927 6.448 0.176 1.00 0.37 C ATOM 586 CG ASP A 37 18.577 7.706 -0.357 1.00 0.67 C ATOM 587 OD1 ASP A 37 17.842 8.654 -0.704 1.00 1.31 O ATOM 588 OD2 ASP A 37 19.821 7.749 -0.457 1.00 1.19 O ATOM 0 H ASP A 37 19.082 6.633 2.404 1.00 0.30 H new ATOM 0 HA ASP A 37 16.669 7.646 1.387 1.00 0.30 H new ATOM 0 HB2 ASP A 37 18.690 5.685 0.329 1.00 0.37 H new ATOM 0 HB3 ASP A 37 17.231 6.059 -0.567 1.00 0.37 H new ATOM 593 N LEU A 38 16.644 4.473 2.302 1.00 0.24 N ATOM 594 CA LEU A 38 15.756 3.415 2.776 1.00 0.22 C ATOM 595 C LEU A 38 14.931 3.911 3.975 1.00 0.23 C ATOM 596 O LEU A 38 13.844 3.401 4.247 1.00 0.24 O ATOM 597 CB LEU A 38 16.535 2.143 3.170 1.00 0.29 C ATOM 598 CG LEU A 38 17.149 1.319 2.022 1.00 0.30 C ATOM 599 CD1 LEU A 38 16.233 1.311 0.819 1.00 0.64 C ATOM 600 CD2 LEU A 38 18.533 1.817 1.638 1.00 0.47 C ATOM 0 H LEU A 38 17.637 4.284 2.439 1.00 0.24 H new ATOM 0 HA LEU A 38 15.089 3.157 1.954 1.00 0.22 H new ATOM 0 HB2 LEU A 38 17.338 2.433 3.847 1.00 0.29 H new ATOM 0 HB3 LEU A 38 15.863 1.494 3.732 1.00 0.29 H new ATOM 0 HG LEU A 38 17.261 0.297 2.383 1.00 0.30 H new ATOM 0 HD11 LEU A 38 16.686 0.724 0.020 1.00 0.64 H new ATOM 0 HD12 LEU A 38 15.275 0.871 1.094 1.00 0.64 H new ATOM 0 HD13 LEU A 38 16.077 2.333 0.474 1.00 0.64 H new ATOM 0 HD21 LEU A 38 18.927 1.207 0.825 1.00 0.47 H new ATOM 0 HD22 LEU A 38 18.469 2.856 1.314 1.00 0.47 H new ATOM 0 HD23 LEU A 38 19.197 1.746 2.499 1.00 0.47 H new ATOM 612 N ASP A 39 15.478 4.884 4.706 1.00 0.25 N ATOM 613 CA ASP A 39 14.777 5.535 5.816 1.00 0.28 C ATOM 614 C ASP A 39 13.594 6.339 5.291 1.00 0.28 C ATOM 615 O ASP A 39 12.521 6.348 5.887 1.00 0.32 O ATOM 616 CB ASP A 39 15.726 6.437 6.609 1.00 0.32 C ATOM 617 CG ASP A 39 15.025 7.209 7.708 1.00 0.71 C ATOM 618 OD1 ASP A 39 14.739 6.614 8.764 1.00 1.59 O ATOM 619 OD2 ASP A 39 14.783 8.421 7.528 1.00 1.33 O ATOM 0 H ASP A 39 16.419 5.243 4.546 1.00 0.25 H new ATOM 0 HA ASP A 39 14.407 4.761 6.488 1.00 0.28 H new ATOM 0 HB2 ASP A 39 16.517 5.828 7.047 1.00 0.32 H new ATOM 0 HB3 ASP A 39 16.206 7.140 5.927 1.00 0.32 H new ATOM 624 N ASN A 40 13.801 6.998 4.154 1.00 0.26 N ATOM 625 CA ASN A 40 12.731 7.709 3.461 1.00 0.26 C ATOM 626 C ASN A 40 11.654 6.722 3.051 1.00 0.23 C ATOM 627 O ASN A 40 10.465 6.979 3.223 1.00 0.25 O ATOM 628 CB ASN A 40 13.271 8.438 2.223 1.00 0.28 C ATOM 629 CG ASN A 40 14.058 9.700 2.549 1.00 0.68 C ATOM 630 OD1 ASN A 40 14.675 9.747 3.720 1.00 1.13 O flip ATOM 631 ND2 ASN A 40 14.110 10.632 1.746 1.00 1.22 N flip ATOM 0 H ASN A 40 14.708 7.054 3.690 1.00 0.26 H new ATOM 0 HA ASN A 40 12.310 8.453 4.137 1.00 0.26 H new ATOM 0 HB2 ASN A 40 13.910 7.757 1.662 1.00 0.28 H new ATOM 0 HB3 ASN A 40 12.436 8.699 1.573 1.00 0.28 H new ATOM 0 HD21 ASN A 40 13.623 10.563 0.852 1.00 1.22 H new ATOM 0 HD22 ASN A 40 14.640 11.473 1.974 1.00 1.22 H new ATOM 638 N LEU A 41 12.089 5.582 2.521 1.00 0.21 N ATOM 639 CA LEU A 41 11.185 4.484 2.199 1.00 0.21 C ATOM 640 C LEU A 41 10.421 4.047 3.440 1.00 0.22 C ATOM 641 O LEU A 41 9.221 3.836 3.393 1.00 0.24 O ATOM 642 CB LEU A 41 11.962 3.303 1.610 1.00 0.21 C ATOM 643 CG LEU A 41 12.098 3.311 0.084 1.00 0.58 C ATOM 644 CD1 LEU A 41 10.777 2.940 -0.570 1.00 0.39 C ATOM 645 CD2 LEU A 41 12.556 4.675 -0.405 1.00 1.20 C ATOM 0 H LEU A 41 13.068 5.395 2.305 1.00 0.21 H new ATOM 0 HA LEU A 41 10.470 4.833 1.454 1.00 0.21 H new ATOM 0 HB2 LEU A 41 12.960 3.290 2.048 1.00 0.21 H new ATOM 0 HB3 LEU A 41 11.470 2.378 1.911 1.00 0.21 H new ATOM 0 HG LEU A 41 12.848 2.571 -0.195 1.00 0.58 H new ATOM 0 HD11 LEU A 41 10.892 2.951 -1.654 1.00 0.39 H new ATOM 0 HD12 LEU A 41 10.478 1.943 -0.247 1.00 0.39 H new ATOM 0 HD13 LEU A 41 10.012 3.660 -0.279 1.00 0.39 H new ATOM 0 HD21 LEU A 41 12.647 4.661 -1.491 1.00 1.20 H new ATOM 0 HD22 LEU A 41 11.827 5.430 -0.112 1.00 1.20 H new ATOM 0 HD23 LEU A 41 13.523 4.914 0.037 1.00 1.20 H new ATOM 657 N HIS A 42 11.126 3.948 4.555 1.00 0.27 N ATOM 658 CA HIS A 42 10.514 3.546 5.814 1.00 0.35 C ATOM 659 C HIS A 42 9.460 4.542 6.265 1.00 0.39 C ATOM 660 O HIS A 42 8.310 4.170 6.491 1.00 0.47 O ATOM 661 CB HIS A 42 11.576 3.379 6.894 1.00 0.40 C ATOM 662 CG HIS A 42 12.079 1.981 6.989 1.00 0.54 C ATOM 663 ND1 HIS A 42 13.002 1.447 6.117 1.00 1.01 N ATOM 664 CD2 HIS A 42 11.750 0.990 7.840 1.00 0.94 C ATOM 665 CE1 HIS A 42 13.215 0.183 6.431 1.00 1.19 C ATOM 666 NE2 HIS A 42 12.468 -0.117 7.474 1.00 1.15 N ATOM 0 H HIS A 42 12.126 4.141 4.615 1.00 0.27 H new ATOM 0 HA HIS A 42 10.021 2.588 5.649 1.00 0.35 H new ATOM 0 HB2 HIS A 42 12.410 4.048 6.685 1.00 0.40 H new ATOM 0 HB3 HIS A 42 11.161 3.678 7.856 1.00 0.40 H new ATOM 0 HD1 HIS A 42 13.450 1.949 5.350 1.00 1.01 H new ATOM 0 HD2 HIS A 42 11.050 1.056 8.659 1.00 0.94 H new ATOM 0 HE1 HIS A 42 13.887 -0.491 5.920 1.00 1.19 H new ATOM 0 HE2 HIS A 42 12.431 -1.026 7.934 1.00 1.15 H new ATOM 675 N ALA A 43 9.850 5.802 6.374 1.00 0.42 N ATOM 676 CA ALA A 43 8.947 6.841 6.842 1.00 0.49 C ATOM 677 C ALA A 43 7.758 7.004 5.905 1.00 0.48 C ATOM 678 O ALA A 43 6.613 7.019 6.345 1.00 0.51 O ATOM 679 CB ALA A 43 9.693 8.159 6.987 1.00 0.56 C ATOM 0 H ALA A 43 10.788 6.130 6.144 1.00 0.42 H new ATOM 0 HA ALA A 43 8.564 6.541 7.818 1.00 0.49 H new ATOM 0 HB1 ALA A 43 9.006 8.929 7.338 1.00 0.56 H new ATOM 0 HB2 ALA A 43 10.504 8.041 7.706 1.00 0.56 H new ATOM 0 HB3 ALA A 43 10.104 8.452 6.021 1.00 0.56 H new ATOM 685 N CYS A 44 8.032 7.107 4.612 1.00 0.44 N ATOM 686 CA CYS A 44 6.984 7.351 3.633 1.00 0.46 C ATOM 687 C CYS A 44 6.092 6.127 3.409 1.00 0.42 C ATOM 688 O CYS A 44 4.921 6.279 3.073 1.00 0.43 O ATOM 689 CB CYS A 44 7.580 7.817 2.310 1.00 0.47 C ATOM 690 SG CYS A 44 8.624 9.284 2.453 1.00 1.61 S ATOM 0 H CYS A 44 8.969 7.025 4.218 1.00 0.44 H new ATOM 0 HA CYS A 44 6.353 8.141 4.041 1.00 0.46 H new ATOM 0 HB2 CYS A 44 8.168 7.005 1.882 1.00 0.47 H new ATOM 0 HB3 CYS A 44 6.770 8.027 1.612 1.00 0.47 H new ATOM 0 HG CYS A 44 9.838 8.926 2.751 1.00 1.61 H new ATOM 696 N LEU A 45 6.633 4.922 3.577 1.00 0.39 N ATOM 697 CA LEU A 45 5.829 3.709 3.414 1.00 0.38 C ATOM 698 C LEU A 45 5.031 3.423 4.674 1.00 0.36 C ATOM 699 O LEU A 45 3.926 2.889 4.610 1.00 0.35 O ATOM 700 CB LEU A 45 6.689 2.500 3.044 1.00 0.39 C ATOM 701 CG LEU A 45 6.783 2.199 1.543 1.00 0.95 C ATOM 702 CD1 LEU A 45 5.421 1.805 0.996 1.00 0.69 C ATOM 703 CD2 LEU A 45 7.334 3.396 0.783 1.00 1.87 C ATOM 0 H LEU A 45 7.609 4.758 3.822 1.00 0.39 H new ATOM 0 HA LEU A 45 5.138 3.887 2.590 1.00 0.38 H new ATOM 0 HB2 LEU A 45 7.696 2.659 3.430 1.00 0.39 H new ATOM 0 HB3 LEU A 45 6.289 1.621 3.550 1.00 0.39 H new ATOM 0 HG LEU A 45 7.470 1.364 1.406 1.00 0.95 H new ATOM 0 HD11 LEU A 45 5.504 1.595 -0.070 1.00 0.69 H new ATOM 0 HD12 LEU A 45 5.064 0.915 1.515 1.00 0.69 H new ATOM 0 HD13 LEU A 45 4.717 2.622 1.151 1.00 0.69 H new ATOM 0 HD21 LEU A 45 7.391 3.158 -0.279 1.00 1.87 H new ATOM 0 HD22 LEU A 45 6.676 4.253 0.928 1.00 1.87 H new ATOM 0 HD23 LEU A 45 8.330 3.636 1.155 1.00 1.87 H new ATOM 715 N ASN A 46 5.584 3.783 5.819 1.00 0.40 N ATOM 716 CA ASN A 46 4.824 3.745 7.055 1.00 0.45 C ATOM 717 C ASN A 46 3.703 4.778 6.965 1.00 0.43 C ATOM 718 O ASN A 46 2.546 4.482 7.252 1.00 0.42 O ATOM 719 CB ASN A 46 5.743 4.000 8.257 1.00 0.53 C ATOM 720 CG ASN A 46 4.980 4.164 9.557 1.00 0.59 C ATOM 721 OD1 ASN A 46 4.580 5.270 9.921 1.00 1.25 O ATOM 722 ND2 ASN A 46 4.795 3.069 10.276 1.00 1.00 N ATOM 0 H ASN A 46 6.548 4.102 5.918 1.00 0.40 H new ATOM 0 HA ASN A 46 4.383 2.759 7.199 1.00 0.45 H new ATOM 0 HB2 ASN A 46 6.444 3.171 8.355 1.00 0.53 H new ATOM 0 HB3 ASN A 46 6.334 4.897 8.073 1.00 0.53 H new ATOM 0 HD21 ASN A 46 4.305 3.122 11.169 1.00 1.00 H new ATOM 0 HD22 ASN A 46 5.143 2.172 9.938 1.00 1.00 H new ATOM 729 N LYS A 47 4.065 5.986 6.541 1.00 0.49 N ATOM 730 CA LYS A 47 3.102 7.018 6.157 1.00 0.47 C ATOM 731 C LYS A 47 2.102 6.504 5.119 1.00 0.42 C ATOM 732 O LYS A 47 0.967 6.957 5.076 1.00 0.43 O ATOM 733 CB LYS A 47 3.843 8.218 5.569 1.00 0.53 C ATOM 734 CG LYS A 47 2.941 9.371 5.157 1.00 1.02 C ATOM 735 CD LYS A 47 3.443 10.061 3.896 1.00 1.07 C ATOM 736 CE LYS A 47 3.406 9.129 2.692 1.00 1.30 C ATOM 737 NZ LYS A 47 2.018 8.718 2.342 1.00 2.15 N ATOM 0 H LYS A 47 5.038 6.279 6.453 1.00 0.49 H new ATOM 0 HA LYS A 47 2.553 7.305 7.054 1.00 0.47 H new ATOM 0 HB2 LYS A 47 4.563 8.580 6.302 1.00 0.53 H new ATOM 0 HB3 LYS A 47 4.412 7.888 4.699 1.00 0.53 H new ATOM 0 HG2 LYS A 47 1.930 8.999 4.990 1.00 1.02 H new ATOM 0 HG3 LYS A 47 2.884 10.096 5.969 1.00 1.02 H new ATOM 0 HD2 LYS A 47 2.832 10.941 3.694 1.00 1.07 H new ATOM 0 HD3 LYS A 47 4.463 10.411 4.054 1.00 1.07 H new ATOM 0 HE2 LYS A 47 3.863 9.626 1.836 1.00 1.30 H new ATOM 0 HE3 LYS A 47 4.004 8.242 2.903 1.00 1.30 H new ATOM 0 HZ1 LYS A 47 1.967 8.495 1.328 1.00 2.15 H new ATOM 0 HZ2 LYS A 47 1.755 7.878 2.895 1.00 2.15 H new ATOM 0 HZ3 LYS A 47 1.361 9.495 2.559 1.00 2.15 H new ATOM 751 N ALA A 48 2.532 5.588 4.261 1.00 0.40 N ATOM 752 CA ALA A 48 1.643 5.019 3.255 1.00 0.38 C ATOM 753 C ALA A 48 0.609 4.120 3.912 1.00 0.36 C ATOM 754 O ALA A 48 -0.551 4.097 3.507 1.00 0.36 O ATOM 755 CB ALA A 48 2.427 4.257 2.198 1.00 0.41 C ATOM 0 H ALA A 48 3.485 5.225 4.241 1.00 0.40 H new ATOM 0 HA ALA A 48 1.124 5.838 2.757 1.00 0.38 H new ATOM 0 HB1 ALA A 48 1.738 3.844 1.461 1.00 0.41 H new ATOM 0 HB2 ALA A 48 3.124 4.934 1.704 1.00 0.41 H new ATOM 0 HB3 ALA A 48 2.982 3.446 2.670 1.00 0.41 H new ATOM 761 N LYS A 49 1.025 3.411 4.953 1.00 0.37 N ATOM 762 CA LYS A 49 0.106 2.591 5.726 1.00 0.41 C ATOM 763 C LYS A 49 -0.796 3.501 6.541 1.00 0.46 C ATOM 764 O LYS A 49 -1.915 3.143 6.899 1.00 0.56 O ATOM 765 CB LYS A 49 0.872 1.648 6.658 1.00 0.41 C ATOM 766 CG LYS A 49 1.860 0.742 5.940 1.00 0.39 C ATOM 767 CD LYS A 49 2.425 -0.311 6.871 1.00 0.42 C ATOM 768 CE LYS A 49 3.324 0.292 7.936 1.00 0.45 C ATOM 769 NZ LYS A 49 3.644 -0.689 9.003 1.00 1.03 N ATOM 0 H LYS A 49 1.991 3.388 5.280 1.00 0.37 H new ATOM 0 HA LYS A 49 -0.491 1.984 5.045 1.00 0.41 H new ATOM 0 HB2 LYS A 49 1.409 2.241 7.398 1.00 0.41 H new ATOM 0 HB3 LYS A 49 0.157 1.031 7.202 1.00 0.41 H new ATOM 0 HG2 LYS A 49 1.365 0.257 5.098 1.00 0.39 H new ATOM 0 HG3 LYS A 49 2.673 1.341 5.530 1.00 0.39 H new ATOM 0 HD2 LYS A 49 1.606 -0.848 7.350 1.00 0.42 H new ATOM 0 HD3 LYS A 49 2.990 -1.041 6.292 1.00 0.42 H new ATOM 0 HE2 LYS A 49 4.247 0.644 7.476 1.00 0.45 H new ATOM 0 HE3 LYS A 49 2.835 1.161 8.376 1.00 0.45 H new ATOM 0 HZ1 LYS A 49 4.259 -0.242 9.712 1.00 1.03 H new ATOM 0 HZ2 LYS A 49 2.764 -1.006 9.458 1.00 1.03 H new ATOM 0 HZ3 LYS A 49 4.133 -1.507 8.587 1.00 1.03 H new ATOM 783 N LEU A 50 -0.280 4.685 6.827 1.00 0.44 N ATOM 784 CA LEU A 50 -1.015 5.710 7.546 1.00 0.51 C ATOM 785 C LEU A 50 -2.102 6.325 6.669 1.00 0.44 C ATOM 786 O LEU A 50 -3.256 6.421 7.076 1.00 0.43 O ATOM 787 CB LEU A 50 -0.036 6.782 8.025 1.00 0.62 C ATOM 788 CG LEU A 50 0.866 6.354 9.183 1.00 1.02 C ATOM 789 CD1 LEU A 50 1.677 7.536 9.680 1.00 2.08 C ATOM 790 CD2 LEU A 50 0.041 5.749 10.311 1.00 0.75 C ATOM 0 H LEU A 50 0.666 4.963 6.565 1.00 0.44 H new ATOM 0 HA LEU A 50 -1.509 5.257 8.406 1.00 0.51 H new ATOM 0 HB2 LEU A 50 0.591 7.082 7.186 1.00 0.62 H new ATOM 0 HB3 LEU A 50 -0.603 7.662 8.330 1.00 0.62 H new ATOM 0 HG LEU A 50 1.556 5.590 8.824 1.00 1.02 H new ATOM 0 HD11 LEU A 50 2.315 7.218 10.505 1.00 2.08 H new ATOM 0 HD12 LEU A 50 2.296 7.919 8.869 1.00 2.08 H new ATOM 0 HD13 LEU A 50 1.003 8.321 10.024 1.00 2.08 H new ATOM 0 HD21 LEU A 50 0.701 5.451 11.125 1.00 0.75 H new ATOM 0 HD22 LEU A 50 -0.674 6.487 10.675 1.00 0.75 H new ATOM 0 HD23 LEU A 50 -0.496 4.876 9.941 1.00 0.75 H new ATOM 802 N THR A 51 -1.732 6.716 5.458 1.00 0.41 N ATOM 803 CA THR A 51 -2.672 7.312 4.524 1.00 0.40 C ATOM 804 C THR A 51 -3.748 6.321 4.116 1.00 0.35 C ATOM 805 O THR A 51 -4.925 6.659 4.054 1.00 0.34 O ATOM 806 CB THR A 51 -1.956 7.830 3.264 1.00 0.43 C ATOM 807 OG1 THR A 51 -0.941 6.902 2.847 1.00 0.48 O ATOM 808 CG2 THR A 51 -1.335 9.183 3.523 1.00 0.54 C ATOM 0 H THR A 51 -0.781 6.630 5.099 1.00 0.41 H new ATOM 0 HA THR A 51 -3.139 8.152 5.038 1.00 0.40 H new ATOM 0 HB THR A 51 -2.696 7.929 2.470 1.00 0.43 H new ATOM 0 HG1 THR A 51 -1.124 6.021 3.235 1.00 0.48 H new ATOM 0 HG21 THR A 51 -0.834 9.532 2.620 1.00 0.54 H new ATOM 0 HG22 THR A 51 -2.113 9.893 3.803 1.00 0.54 H new ATOM 0 HG23 THR A 51 -0.610 9.101 4.332 1.00 0.54 H new ATOM 816 N VAL A 52 -3.332 5.100 3.830 1.00 0.34 N ATOM 817 CA VAL A 52 -4.258 4.058 3.430 1.00 0.31 C ATOM 818 C VAL A 52 -5.090 3.596 4.612 1.00 0.27 C ATOM 819 O VAL A 52 -6.305 3.433 4.498 1.00 0.28 O ATOM 820 CB VAL A 52 -3.509 2.867 2.795 1.00 0.34 C ATOM 821 CG1 VAL A 52 -4.451 1.715 2.511 1.00 0.33 C ATOM 822 CG2 VAL A 52 -2.807 3.304 1.518 1.00 0.43 C ATOM 0 H VAL A 52 -2.356 4.806 3.868 1.00 0.34 H new ATOM 0 HA VAL A 52 -4.929 4.475 2.679 1.00 0.31 H new ATOM 0 HB VAL A 52 -2.761 2.521 3.508 1.00 0.34 H new ATOM 0 HG11 VAL A 52 -3.894 0.891 2.064 1.00 0.33 H new ATOM 0 HG12 VAL A 52 -4.908 1.381 3.442 1.00 0.33 H new ATOM 0 HG13 VAL A 52 -5.229 2.043 1.822 1.00 0.33 H new ATOM 0 HG21 VAL A 52 -2.283 2.454 1.082 1.00 0.43 H new ATOM 0 HG22 VAL A 52 -3.544 3.680 0.808 1.00 0.43 H new ATOM 0 HG23 VAL A 52 -2.090 4.092 1.748 1.00 0.43 H new ATOM 832 N GLY A 53 -4.432 3.397 5.743 1.00 0.27 N ATOM 833 CA GLY A 53 -5.143 3.065 6.957 1.00 0.30 C ATOM 834 C GLY A 53 -6.214 4.089 7.260 1.00 0.27 C ATOM 835 O GLY A 53 -7.352 3.738 7.565 1.00 0.27 O ATOM 0 H GLY A 53 -3.419 3.460 5.841 1.00 0.27 H new ATOM 0 HA2 GLY A 53 -5.596 2.079 6.858 1.00 0.30 H new ATOM 0 HA3 GLY A 53 -4.441 3.011 7.789 1.00 0.30 H new ATOM 839 N ARG A 54 -5.856 5.360 7.135 1.00 0.27 N ATOM 840 CA ARG A 54 -6.798 6.445 7.363 1.00 0.27 C ATOM 841 C ARG A 54 -7.762 6.650 6.210 1.00 0.24 C ATOM 842 O ARG A 54 -8.786 7.310 6.374 1.00 0.25 O ATOM 843 CB ARG A 54 -6.075 7.737 7.697 1.00 0.38 C ATOM 844 CG ARG A 54 -5.704 7.830 9.162 1.00 0.89 C ATOM 845 CD ARG A 54 -4.460 8.673 9.366 1.00 1.02 C ATOM 846 NE ARG A 54 -4.089 8.787 10.775 1.00 1.79 N ATOM 847 CZ ARG A 54 -3.201 9.668 11.242 1.00 2.26 C ATOM 848 NH1 ARG A 54 -2.613 10.529 10.418 1.00 2.18 N ATOM 849 NH2 ARG A 54 -2.897 9.683 12.534 1.00 3.18 N ATOM 0 H ARG A 54 -4.917 5.664 6.876 1.00 0.27 H new ATOM 0 HA ARG A 54 -7.400 6.148 8.222 1.00 0.27 H new ATOM 0 HB2 ARG A 54 -5.172 7.812 7.091 1.00 0.38 H new ATOM 0 HB3 ARG A 54 -6.708 8.583 7.431 1.00 0.38 H new ATOM 0 HG2 ARG A 54 -6.534 8.262 9.722 1.00 0.89 H new ATOM 0 HG3 ARG A 54 -5.537 6.829 9.561 1.00 0.89 H new ATOM 0 HD2 ARG A 54 -3.632 8.234 8.809 1.00 1.02 H new ATOM 0 HD3 ARG A 54 -4.628 9.669 8.956 1.00 1.02 H new ATOM 0 HE ARG A 54 -4.535 8.156 11.441 1.00 1.79 H new ATOM 0 HH11 ARG A 54 -2.839 10.519 9.423 1.00 2.18 H new ATOM 0 HH12 ARG A 54 -1.935 11.200 10.780 1.00 2.18 H new ATOM 0 HH21 ARG A 54 -3.342 9.021 13.170 1.00 3.18 H new ATOM 0 HH22 ARG A 54 -2.219 10.356 12.891 1.00 3.18 H new ATOM 863 N MET A 55 -7.451 6.109 5.049 1.00 0.23 N ATOM 864 CA MET A 55 -8.399 6.150 3.955 1.00 0.24 C ATOM 865 C MET A 55 -9.511 5.158 4.249 1.00 0.21 C ATOM 866 O MET A 55 -10.687 5.418 3.987 1.00 0.23 O ATOM 867 CB MET A 55 -7.740 5.836 2.614 1.00 0.28 C ATOM 868 CG MET A 55 -8.639 6.173 1.444 1.00 0.34 C ATOM 869 SD MET A 55 -9.042 7.929 1.390 1.00 0.68 S ATOM 870 CE MET A 55 -10.616 7.879 0.545 1.00 0.41 C ATOM 0 H MET A 55 -6.567 5.644 4.841 1.00 0.23 H new ATOM 0 HA MET A 55 -8.802 7.160 3.875 1.00 0.24 H new ATOM 0 HB2 MET A 55 -6.809 6.396 2.528 1.00 0.28 H new ATOM 0 HB3 MET A 55 -7.480 4.778 2.578 1.00 0.28 H new ATOM 0 HG2 MET A 55 -8.149 5.884 0.514 1.00 0.34 H new ATOM 0 HG3 MET A 55 -9.558 5.591 1.513 1.00 0.34 H new ATOM 0 HE1 MET A 55 -11.001 8.893 0.433 1.00 0.41 H new ATOM 0 HE2 MET A 55 -10.486 7.429 -0.439 1.00 0.41 H new ATOM 0 HE3 MET A 55 -11.322 7.285 1.126 1.00 0.41 H new ATOM 880 N VAL A 56 -9.120 4.028 4.824 1.00 0.20 N ATOM 881 CA VAL A 56 -10.073 3.064 5.346 1.00 0.22 C ATOM 882 C VAL A 56 -10.839 3.691 6.504 1.00 0.21 C ATOM 883 O VAL A 56 -12.045 3.499 6.641 1.00 0.25 O ATOM 884 CB VAL A 56 -9.373 1.772 5.823 1.00 0.25 C ATOM 885 CG1 VAL A 56 -10.378 0.795 6.418 1.00 0.29 C ATOM 886 CG2 VAL A 56 -8.612 1.125 4.677 1.00 0.26 C ATOM 0 H VAL A 56 -8.143 3.758 4.940 1.00 0.20 H new ATOM 0 HA VAL A 56 -10.759 2.794 4.543 1.00 0.22 H new ATOM 0 HB VAL A 56 -8.661 2.040 6.604 1.00 0.25 H new ATOM 0 HG11 VAL A 56 -9.859 -0.106 6.746 1.00 0.29 H new ATOM 0 HG12 VAL A 56 -10.875 1.258 7.270 1.00 0.29 H new ATOM 0 HG13 VAL A 56 -11.120 0.532 5.664 1.00 0.29 H new ATOM 0 HG21 VAL A 56 -8.125 0.216 5.031 1.00 0.26 H new ATOM 0 HG22 VAL A 56 -9.306 0.876 3.874 1.00 0.26 H new ATOM 0 HG23 VAL A 56 -7.859 1.818 4.303 1.00 0.26 H new ATOM 896 N THR A 57 -10.131 4.477 7.314 1.00 0.19 N ATOM 897 CA THR A 57 -10.751 5.178 8.427 1.00 0.22 C ATOM 898 C THR A 57 -11.821 6.142 7.921 1.00 0.21 C ATOM 899 O THR A 57 -12.954 6.115 8.384 1.00 0.25 O ATOM 900 CB THR A 57 -9.715 5.964 9.251 1.00 0.25 C ATOM 901 OG1 THR A 57 -8.652 5.094 9.649 1.00 0.29 O ATOM 902 CG2 THR A 57 -10.361 6.575 10.485 1.00 0.33 C ATOM 0 H THR A 57 -9.129 4.641 7.217 1.00 0.19 H new ATOM 0 HA THR A 57 -11.206 4.424 9.069 1.00 0.22 H new ATOM 0 HB THR A 57 -9.318 6.767 8.630 1.00 0.25 H new ATOM 0 HG1 THR A 57 -8.306 4.620 8.864 1.00 0.29 H new ATOM 0 HG21 THR A 57 -9.611 7.126 11.053 1.00 0.33 H new ATOM 0 HG22 THR A 57 -11.157 7.254 10.180 1.00 0.33 H new ATOM 0 HG23 THR A 57 -10.778 5.783 11.107 1.00 0.33 H new ATOM 910 N SER A 58 -11.455 6.965 6.942 1.00 0.24 N ATOM 911 CA SER A 58 -12.374 7.936 6.348 1.00 0.28 C ATOM 912 C SER A 58 -13.624 7.250 5.798 1.00 0.26 C ATOM 913 O SER A 58 -14.740 7.749 5.951 1.00 0.32 O ATOM 914 CB SER A 58 -11.667 8.707 5.235 1.00 0.34 C ATOM 915 OG SER A 58 -10.484 9.324 5.719 1.00 1.20 O ATOM 0 H SER A 58 -10.518 6.979 6.539 1.00 0.24 H new ATOM 0 HA SER A 58 -12.686 8.631 7.128 1.00 0.28 H new ATOM 0 HB2 SER A 58 -11.420 8.029 4.418 1.00 0.34 H new ATOM 0 HB3 SER A 58 -12.337 9.465 4.829 1.00 0.34 H new ATOM 0 HG SER A 58 -9.824 8.635 5.942 1.00 1.20 H new ATOM 921 N LEU A 59 -13.427 6.101 5.168 1.00 0.23 N ATOM 922 CA LEU A 59 -14.525 5.337 4.598 1.00 0.23 C ATOM 923 C LEU A 59 -15.361 4.705 5.717 1.00 0.23 C ATOM 924 O LEU A 59 -16.572 4.546 5.593 1.00 0.30 O ATOM 925 CB LEU A 59 -13.959 4.268 3.647 1.00 0.29 C ATOM 926 CG LEU A 59 -14.941 3.671 2.628 1.00 0.34 C ATOM 927 CD1 LEU A 59 -15.848 2.641 3.275 1.00 1.39 C ATOM 928 CD2 LEU A 59 -15.768 4.768 1.972 1.00 1.45 C ATOM 0 H LEU A 59 -12.509 5.675 5.039 1.00 0.23 H new ATOM 0 HA LEU A 59 -15.179 5.996 4.027 1.00 0.23 H new ATOM 0 HB2 LEU A 59 -13.123 4.705 3.100 1.00 0.29 H new ATOM 0 HB3 LEU A 59 -13.555 3.454 4.249 1.00 0.29 H new ATOM 0 HG LEU A 59 -14.355 3.168 1.858 1.00 0.34 H new ATOM 0 HD11 LEU A 59 -16.531 2.237 2.528 1.00 1.39 H new ATOM 0 HD12 LEU A 59 -15.244 1.833 3.689 1.00 1.39 H new ATOM 0 HD13 LEU A 59 -16.421 3.112 4.074 1.00 1.39 H new ATOM 0 HD21 LEU A 59 -16.457 4.324 1.254 1.00 1.45 H new ATOM 0 HD22 LEU A 59 -16.334 5.303 2.735 1.00 1.45 H new ATOM 0 HD23 LEU A 59 -15.106 5.464 1.457 1.00 1.45 H new ATOM 940 N LEU A 60 -14.708 4.377 6.820 1.00 0.20 N ATOM 941 CA LEU A 60 -15.378 3.745 7.951 1.00 0.23 C ATOM 942 C LEU A 60 -16.065 4.789 8.834 1.00 0.28 C ATOM 943 O LEU A 60 -16.702 4.449 9.832 1.00 0.33 O ATOM 944 CB LEU A 60 -14.362 2.939 8.774 1.00 0.24 C ATOM 945 CG LEU A 60 -14.744 1.481 9.070 1.00 0.58 C ATOM 946 CD1 LEU A 60 -15.962 1.407 9.976 1.00 1.43 C ATOM 947 CD2 LEU A 60 -15.000 0.725 7.774 1.00 0.59 C ATOM 0 H LEU A 60 -13.710 4.538 6.959 1.00 0.20 H new ATOM 0 HA LEU A 60 -16.144 3.072 7.566 1.00 0.23 H new ATOM 0 HB2 LEU A 60 -13.409 2.944 8.245 1.00 0.24 H new ATOM 0 HB3 LEU A 60 -14.203 3.452 9.722 1.00 0.24 H new ATOM 0 HG LEU A 60 -13.908 1.013 9.590 1.00 0.58 H new ATOM 0 HD11 LEU A 60 -16.209 0.363 10.168 1.00 1.43 H new ATOM 0 HD12 LEU A 60 -15.745 1.908 10.919 1.00 1.43 H new ATOM 0 HD13 LEU A 60 -16.807 1.896 9.491 1.00 1.43 H new ATOM 0 HD21 LEU A 60 -15.269 -0.306 8.002 1.00 0.59 H new ATOM 0 HD22 LEU A 60 -15.815 1.201 7.230 1.00 0.59 H new ATOM 0 HD23 LEU A 60 -14.099 0.738 7.161 1.00 0.59 H new ATOM 959 N GLU A 61 -15.952 6.057 8.457 1.00 0.32 N ATOM 960 CA GLU A 61 -16.551 7.139 9.228 1.00 0.42 C ATOM 961 C GLU A 61 -17.923 7.516 8.665 1.00 0.45 C ATOM 962 O GLU A 61 -18.450 8.591 8.957 1.00 0.59 O ATOM 963 CB GLU A 61 -15.638 8.369 9.237 1.00 0.56 C ATOM 964 CG GLU A 61 -14.321 8.167 9.974 1.00 0.77 C ATOM 965 CD GLU A 61 -14.502 7.871 11.449 1.00 1.74 C ATOM 966 OE1 GLU A 61 -14.696 8.824 12.228 1.00 2.46 O ATOM 967 OE2 GLU A 61 -14.444 6.683 11.838 1.00 2.36 O ATOM 0 H GLU A 61 -15.451 6.361 7.622 1.00 0.32 H new ATOM 0 HA GLU A 61 -16.678 6.786 10.252 1.00 0.42 H new ATOM 0 HB2 GLU A 61 -15.424 8.656 8.207 1.00 0.56 H new ATOM 0 HB3 GLU A 61 -16.173 9.201 9.695 1.00 0.56 H new ATOM 0 HG2 GLU A 61 -13.774 7.346 9.510 1.00 0.77 H new ATOM 0 HG3 GLU A 61 -13.708 9.062 9.862 1.00 0.77 H new ATOM 974 N LYS A 62 -18.499 6.630 7.862 1.00 0.46 N ATOM 975 CA LYS A 62 -19.802 6.873 7.265 1.00 0.53 C ATOM 976 C LYS A 62 -20.655 5.606 7.338 1.00 0.43 C ATOM 977 O LYS A 62 -20.339 4.587 6.730 1.00 0.41 O ATOM 978 CB LYS A 62 -19.646 7.392 5.832 1.00 0.70 C ATOM 979 CG LYS A 62 -18.751 6.537 4.959 1.00 0.62 C ATOM 980 CD LYS A 62 -18.369 7.238 3.664 1.00 0.76 C ATOM 981 CE LYS A 62 -17.397 8.391 3.884 1.00 0.72 C ATOM 982 NZ LYS A 62 -18.084 9.638 4.317 1.00 0.97 N ATOM 0 H LYS A 62 -18.081 5.734 7.610 1.00 0.46 H new ATOM 0 HA LYS A 62 -20.322 7.648 7.828 1.00 0.53 H new ATOM 0 HB2 LYS A 62 -20.632 7.456 5.371 1.00 0.70 H new ATOM 0 HB3 LYS A 62 -19.243 8.404 5.865 1.00 0.70 H new ATOM 0 HG2 LYS A 62 -17.847 6.280 5.511 1.00 0.62 H new ATOM 0 HG3 LYS A 62 -19.260 5.601 4.727 1.00 0.62 H new ATOM 0 HD2 LYS A 62 -17.920 6.515 2.983 1.00 0.76 H new ATOM 0 HD3 LYS A 62 -19.270 7.615 3.180 1.00 0.76 H new ATOM 0 HE2 LYS A 62 -16.662 8.104 4.636 1.00 0.72 H new ATOM 0 HE3 LYS A 62 -16.850 8.583 2.961 1.00 0.72 H new ATOM 0 HZ1 LYS A 62 -17.662 10.454 3.830 1.00 0.97 H new ATOM 0 HZ2 LYS A 62 -19.095 9.578 4.080 1.00 0.97 H new ATOM 0 HZ3 LYS A 62 -17.976 9.755 5.345 1.00 0.97 H new ATOM 996 N PRO A 63 -21.773 5.681 8.087 1.00 0.46 N ATOM 997 CA PRO A 63 -22.533 4.504 8.561 1.00 0.48 C ATOM 998 C PRO A 63 -23.117 3.622 7.456 1.00 0.42 C ATOM 999 O PRO A 63 -22.931 2.401 7.473 1.00 0.42 O ATOM 1000 CB PRO A 63 -23.669 5.117 9.391 1.00 0.65 C ATOM 1001 CG PRO A 63 -23.227 6.504 9.693 1.00 0.69 C ATOM 1002 CD PRO A 63 -22.408 6.936 8.514 1.00 0.59 C ATOM 0 HA PRO A 63 -21.872 3.831 9.107 1.00 0.48 H new ATOM 0 HB2 PRO A 63 -24.607 5.115 8.836 1.00 0.65 H new ATOM 0 HB3 PRO A 63 -23.838 4.550 10.306 1.00 0.65 H new ATOM 0 HG2 PRO A 63 -24.082 7.164 9.838 1.00 0.69 H new ATOM 0 HG3 PRO A 63 -22.639 6.536 10.611 1.00 0.69 H new ATOM 0 HD2 PRO A 63 -23.027 7.366 7.726 1.00 0.59 H new ATOM 0 HD3 PRO A 63 -21.671 7.691 8.787 1.00 0.59 H new ATOM 1010 N SER A 64 -23.822 4.225 6.507 1.00 0.43 N ATOM 1011 CA SER A 64 -24.509 3.461 5.471 1.00 0.46 C ATOM 1012 C SER A 64 -23.506 2.737 4.577 1.00 0.42 C ATOM 1013 O SER A 64 -23.719 1.593 4.176 1.00 0.43 O ATOM 1014 CB SER A 64 -25.394 4.388 4.639 1.00 0.57 C ATOM 1015 OG SER A 64 -26.299 5.097 5.471 1.00 1.46 O ATOM 0 H SER A 64 -23.933 5.236 6.432 1.00 0.43 H new ATOM 0 HA SER A 64 -25.137 2.711 5.952 1.00 0.46 H new ATOM 0 HB2 SER A 64 -24.773 5.092 4.086 1.00 0.57 H new ATOM 0 HB3 SER A 64 -25.949 3.806 3.903 1.00 0.57 H new ATOM 0 HG SER A 64 -26.856 5.687 4.921 1.00 1.46 H new ATOM 1021 N VAL A 65 -22.407 3.413 4.285 1.00 0.40 N ATOM 1022 CA VAL A 65 -21.336 2.839 3.482 1.00 0.39 C ATOM 1023 C VAL A 65 -20.757 1.597 4.150 1.00 0.34 C ATOM 1024 O VAL A 65 -20.490 0.592 3.487 1.00 0.33 O ATOM 1025 CB VAL A 65 -20.222 3.862 3.252 1.00 0.43 C ATOM 1026 CG1 VAL A 65 -19.150 3.312 2.332 1.00 0.53 C ATOM 1027 CG2 VAL A 65 -20.804 5.149 2.694 1.00 0.47 C ATOM 0 H VAL A 65 -22.231 4.369 4.595 1.00 0.40 H new ATOM 0 HA VAL A 65 -21.763 2.555 2.520 1.00 0.39 H new ATOM 0 HB VAL A 65 -19.751 4.076 4.211 1.00 0.43 H new ATOM 0 HG11 VAL A 65 -18.373 4.063 2.189 1.00 0.53 H new ATOM 0 HG12 VAL A 65 -18.713 2.418 2.776 1.00 0.53 H new ATOM 0 HG13 VAL A 65 -19.592 3.059 1.368 1.00 0.53 H new ATOM 0 HG21 VAL A 65 -20.003 5.871 2.534 1.00 0.47 H new ATOM 0 HG22 VAL A 65 -21.302 4.943 1.746 1.00 0.47 H new ATOM 0 HG23 VAL A 65 -21.526 5.559 3.401 1.00 0.47 H new ATOM 1037 N VAL A 66 -20.580 1.671 5.467 1.00 0.34 N ATOM 1038 CA VAL A 66 -20.073 0.542 6.235 1.00 0.31 C ATOM 1039 C VAL A 66 -20.976 -0.673 6.056 1.00 0.32 C ATOM 1040 O VAL A 66 -20.498 -1.793 5.862 1.00 0.33 O ATOM 1041 CB VAL A 66 -19.956 0.881 7.739 1.00 0.33 C ATOM 1042 CG1 VAL A 66 -19.469 -0.321 8.535 1.00 0.35 C ATOM 1043 CG2 VAL A 66 -19.022 2.064 7.949 1.00 0.34 C ATOM 0 H VAL A 66 -20.781 2.502 6.023 1.00 0.34 H new ATOM 0 HA VAL A 66 -19.076 0.315 5.857 1.00 0.31 H new ATOM 0 HB VAL A 66 -20.949 1.149 8.100 1.00 0.33 H new ATOM 0 HG11 VAL A 66 -19.396 -0.054 9.589 1.00 0.35 H new ATOM 0 HG12 VAL A 66 -20.173 -1.145 8.417 1.00 0.35 H new ATOM 0 HG13 VAL A 66 -18.489 -0.626 8.169 1.00 0.35 H new ATOM 0 HG21 VAL A 66 -18.952 2.288 9.013 1.00 0.34 H new ATOM 0 HG22 VAL A 66 -18.032 1.819 7.564 1.00 0.34 H new ATOM 0 HG23 VAL A 66 -19.412 2.934 7.420 1.00 0.34 H new ATOM 1053 N ALA A 67 -22.282 -0.433 6.081 1.00 0.34 N ATOM 1054 CA ALA A 67 -23.260 -1.499 5.916 1.00 0.36 C ATOM 1055 C ALA A 67 -23.195 -2.091 4.516 1.00 0.32 C ATOM 1056 O ALA A 67 -23.450 -3.273 4.329 1.00 0.35 O ATOM 1057 CB ALA A 67 -24.660 -0.993 6.202 1.00 0.41 C ATOM 0 H ALA A 67 -22.688 0.493 6.214 1.00 0.34 H new ATOM 0 HA ALA A 67 -23.018 -2.284 6.633 1.00 0.36 H new ATOM 0 HB1 ALA A 67 -25.374 -1.806 6.073 1.00 0.41 H new ATOM 0 HB2 ALA A 67 -24.711 -0.624 7.227 1.00 0.41 H new ATOM 0 HB3 ALA A 67 -24.902 -0.184 5.513 1.00 0.41 H new ATOM 1063 N TYR A 68 -22.866 -1.264 3.532 1.00 0.28 N ATOM 1064 CA TYR A 68 -22.704 -1.730 2.160 1.00 0.27 C ATOM 1065 C TYR A 68 -21.466 -2.597 1.994 1.00 0.23 C ATOM 1066 O TYR A 68 -21.472 -3.549 1.217 1.00 0.27 O ATOM 1067 CB TYR A 68 -22.732 -0.569 1.170 1.00 0.29 C ATOM 1068 CG TYR A 68 -24.144 -0.270 0.728 1.00 0.75 C ATOM 1069 CD1 TYR A 68 -24.743 -1.024 -0.272 1.00 1.45 C ATOM 1070 CD2 TYR A 68 -24.893 0.731 1.333 1.00 1.46 C ATOM 1071 CE1 TYR A 68 -26.046 -0.792 -0.656 1.00 1.86 C ATOM 1072 CE2 TYR A 68 -26.198 0.973 0.949 1.00 1.88 C ATOM 1073 CZ TYR A 68 -26.769 0.207 -0.046 1.00 1.81 C ATOM 1074 OH TYR A 68 -28.074 0.430 -0.425 1.00 2.35 O ATOM 0 H TYR A 68 -22.706 -0.265 3.659 1.00 0.28 H new ATOM 0 HA TYR A 68 -23.559 -2.367 1.931 1.00 0.27 H new ATOM 0 HB2 TYR A 68 -22.296 0.317 1.631 1.00 0.29 H new ATOM 0 HB3 TYR A 68 -22.119 -0.811 0.302 1.00 0.29 H new ATOM 0 HD1 TYR A 68 -24.178 -1.806 -0.757 1.00 1.45 H new ATOM 0 HD2 TYR A 68 -24.449 1.329 2.115 1.00 1.46 H new ATOM 0 HE1 TYR A 68 -26.498 -1.392 -1.432 1.00 1.86 H new ATOM 0 HE2 TYR A 68 -26.768 1.757 1.425 1.00 1.88 H new ATOM 0 HH TYR A 68 -28.446 1.169 0.101 1.00 2.35 H new ATOM 1084 N LEU A 69 -20.401 -2.257 2.706 1.00 0.20 N ATOM 1085 CA LEU A 69 -19.191 -3.072 2.698 1.00 0.19 C ATOM 1086 C LEU A 69 -19.493 -4.502 3.147 1.00 0.24 C ATOM 1087 O LEU A 69 -19.077 -5.467 2.508 1.00 0.27 O ATOM 1088 CB LEU A 69 -18.136 -2.449 3.606 1.00 0.22 C ATOM 1089 CG LEU A 69 -17.638 -1.082 3.170 1.00 0.25 C ATOM 1090 CD1 LEU A 69 -16.974 -0.370 4.333 1.00 0.33 C ATOM 1091 CD2 LEU A 69 -16.670 -1.201 2.007 1.00 0.29 C ATOM 0 H LEU A 69 -20.348 -1.426 3.295 1.00 0.20 H new ATOM 0 HA LEU A 69 -18.809 -3.108 1.678 1.00 0.19 H new ATOM 0 HB2 LEU A 69 -18.548 -2.365 4.612 1.00 0.22 H new ATOM 0 HB3 LEU A 69 -17.284 -3.127 3.666 1.00 0.22 H new ATOM 0 HG LEU A 69 -18.497 -0.497 2.840 1.00 0.25 H new ATOM 0 HD11 LEU A 69 -16.621 0.609 4.007 1.00 0.33 H new ATOM 0 HD12 LEU A 69 -17.694 -0.246 5.142 1.00 0.33 H new ATOM 0 HD13 LEU A 69 -16.129 -0.961 4.687 1.00 0.33 H new ATOM 0 HD21 LEU A 69 -16.329 -0.208 1.715 1.00 0.29 H new ATOM 0 HD22 LEU A 69 -15.814 -1.805 2.307 1.00 0.29 H new ATOM 0 HD23 LEU A 69 -17.171 -1.675 1.163 1.00 0.29 H new ATOM 1103 N GLU A 70 -20.224 -4.641 4.239 1.00 0.31 N ATOM 1104 CA GLU A 70 -20.626 -5.961 4.707 1.00 0.43 C ATOM 1105 C GLU A 70 -21.769 -6.494 3.872 1.00 0.49 C ATOM 1106 O GLU A 70 -21.908 -7.699 3.661 1.00 0.60 O ATOM 1107 CB GLU A 70 -21.036 -5.917 6.174 1.00 0.55 C ATOM 1108 CG GLU A 70 -21.528 -4.556 6.623 1.00 0.49 C ATOM 1109 CD GLU A 70 -22.091 -4.555 8.031 1.00 0.62 C ATOM 1110 OE1 GLU A 70 -21.411 -5.063 8.950 1.00 1.25 O ATOM 1111 OE2 GLU A 70 -23.214 -4.054 8.232 1.00 1.26 O ATOM 0 H GLU A 70 -20.550 -3.865 4.816 1.00 0.31 H new ATOM 0 HA GLU A 70 -19.769 -6.627 4.605 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -21.821 -6.653 6.346 1.00 0.55 H new ATOM 0 HB3 GLU A 70 -20.185 -6.208 6.790 1.00 0.55 H new ATOM 0 HG2 GLU A 70 -20.705 -3.844 6.568 1.00 0.49 H new ATOM 0 HG3 GLU A 70 -22.296 -4.209 5.932 1.00 0.49 H new ATOM 1118 N GLY A 71 -22.571 -5.567 3.398 1.00 0.46 N ATOM 1119 CA GLY A 71 -23.714 -5.898 2.601 1.00 0.57 C ATOM 1120 C GLY A 71 -24.897 -6.278 3.453 1.00 0.69 C ATOM 1121 O GLY A 71 -25.619 -7.230 3.153 1.00 0.92 O ATOM 0 H GLY A 71 -22.444 -4.568 3.558 1.00 0.46 H new ATOM 0 HA2 GLY A 71 -23.977 -5.048 1.972 1.00 0.57 H new ATOM 0 HA3 GLY A 71 -23.466 -6.724 1.934 1.00 0.57 H new ATOM 1125 N LYS A 72 -25.100 -5.523 4.513 1.00 0.67 N ATOM 1126 CA LYS A 72 -26.088 -5.866 5.514 1.00 0.86 C ATOM 1127 C LYS A 72 -27.109 -4.745 5.670 1.00 0.88 C ATOM 1128 O LYS A 72 -26.848 -3.806 6.449 1.00 1.46 O ATOM 1129 CB LYS A 72 -25.386 -6.131 6.844 1.00 1.21 C ATOM 1130 CG LYS A 72 -24.221 -7.099 6.734 1.00 1.17 C ATOM 1131 CD LYS A 72 -24.661 -8.479 6.280 1.00 1.47 C ATOM 1132 CE LYS A 72 -23.459 -9.359 5.982 1.00 2.02 C ATOM 1133 NZ LYS A 72 -23.857 -10.678 5.426 1.00 2.81 N ATOM 1134 OXT LYS A 72 -28.173 -4.811 5.017 1.00 1.29 O ATOM 0 H LYS A 72 -24.589 -4.661 4.704 1.00 0.67 H new ATOM 0 HA LYS A 72 -26.619 -6.764 5.197 1.00 0.86 H new ATOM 0 HB2 LYS A 72 -25.025 -5.186 7.250 1.00 1.21 H new ATOM 0 HB3 LYS A 72 -26.111 -6.527 7.555 1.00 1.21 H new ATOM 0 HG2 LYS A 72 -23.488 -6.704 6.031 1.00 1.17 H new ATOM 0 HG3 LYS A 72 -23.724 -7.178 7.701 1.00 1.17 H new ATOM 0 HD2 LYS A 72 -25.274 -8.943 7.053 1.00 1.47 H new ATOM 0 HD3 LYS A 72 -25.283 -8.392 5.389 1.00 1.47 H new ATOM 0 HE2 LYS A 72 -22.804 -8.850 5.274 1.00 2.02 H new ATOM 0 HE3 LYS A 72 -22.885 -9.510 6.896 1.00 2.02 H new ATOM 0 HZ1 LYS A 72 -23.007 -11.246 5.237 1.00 2.81 H new ATOM 0 HZ2 LYS A 72 -24.461 -11.176 6.111 1.00 2.81 H new ATOM 0 HZ3 LYS A 72 -24.383 -10.537 4.540 1.00 2.81 H new TER 1148 LYS A 72 ATOM 1149 N GLY B -1 17.647 -22.858 -2.814 1.00 4.96 N ATOM 1150 CA GLY B -1 18.538 -21.769 -3.278 1.00 4.18 C ATOM 1151 C GLY B -1 17.790 -20.739 -4.095 1.00 3.25 C ATOM 1152 O GLY B -1 16.561 -20.794 -4.183 1.00 3.46 O ATOM 0 H1 GLY B -1 17.826 -23.047 -1.807 1.00 4.96 H new ATOM 0 H2 GLY B -1 16.655 -22.573 -2.942 1.00 4.96 H new ATOM 0 H3 GLY B -1 17.834 -23.719 -3.367 1.00 4.96 H new ATOM 0 HA2 GLY B -1 18.999 -21.285 -2.417 1.00 4.18 H new ATOM 0 HA3 GLY B -1 19.346 -22.191 -3.876 1.00 4.18 H new ATOM 1158 N ALA B 0 18.538 -19.813 -4.694 1.00 2.64 N ATOM 1159 CA ALA B 0 17.971 -18.749 -5.523 1.00 1.94 C ATOM 1160 C ALA B 0 17.021 -17.870 -4.722 1.00 1.54 C ATOM 1161 O ALA B 0 15.808 -17.868 -4.940 1.00 1.85 O ATOM 1162 CB ALA B 0 17.280 -19.326 -6.754 1.00 2.14 C ATOM 0 H ALA B 0 19.555 -19.779 -4.618 1.00 2.64 H new ATOM 0 HA ALA B 0 18.793 -18.120 -5.863 1.00 1.94 H new ATOM 0 HB1 ALA B 0 16.867 -18.515 -7.353 1.00 2.14 H new ATOM 0 HB2 ALA B 0 18.003 -19.885 -7.349 1.00 2.14 H new ATOM 0 HB3 ALA B 0 16.476 -19.992 -6.441 1.00 2.14 H new ATOM 1168 N MET B 1 17.590 -17.120 -3.794 1.00 1.29 N ATOM 1169 CA MET B 1 16.812 -16.220 -2.952 1.00 1.03 C ATOM 1170 C MET B 1 16.703 -14.845 -3.599 1.00 0.87 C ATOM 1171 O MET B 1 17.664 -14.351 -4.197 1.00 0.92 O ATOM 1172 CB MET B 1 17.445 -16.078 -1.561 1.00 1.33 C ATOM 1173 CG MET B 1 18.806 -15.397 -1.573 1.00 2.01 C ATOM 1174 SD MET B 1 19.476 -15.131 0.080 1.00 2.32 S ATOM 1175 CE MET B 1 21.006 -14.289 -0.315 1.00 2.92 C ATOM 0 H MET B 1 18.592 -17.115 -3.602 1.00 1.29 H new ATOM 0 HA MET B 1 15.816 -16.650 -2.843 1.00 1.03 H new ATOM 0 HB2 MET B 1 16.770 -15.509 -0.921 1.00 1.33 H new ATOM 0 HB3 MET B 1 17.548 -17.068 -1.116 1.00 1.33 H new ATOM 0 HG2 MET B 1 19.505 -16.004 -2.149 1.00 2.01 H new ATOM 0 HG3 MET B 1 18.722 -14.438 -2.083 1.00 2.01 H new ATOM 0 HE1 MET B 1 21.540 -14.054 0.606 1.00 2.92 H new ATOM 0 HE2 MET B 1 21.625 -14.933 -0.940 1.00 2.92 H new ATOM 0 HE3 MET B 1 20.785 -13.366 -0.852 1.00 2.92 H new ATOM 1185 N PRO B 2 15.519 -14.227 -3.512 1.00 0.76 N ATOM 1186 CA PRO B 2 15.311 -12.851 -3.955 1.00 0.64 C ATOM 1187 C PRO B 2 16.095 -11.871 -3.091 1.00 0.58 C ATOM 1188 O PRO B 2 16.106 -11.982 -1.861 1.00 0.64 O ATOM 1189 CB PRO B 2 13.804 -12.639 -3.770 1.00 0.69 C ATOM 1190 CG PRO B 2 13.407 -13.635 -2.741 1.00 0.80 C ATOM 1191 CD PRO B 2 14.281 -14.828 -2.987 1.00 0.84 C ATOM 0 HA PRO B 2 15.648 -12.685 -4.978 1.00 0.64 H new ATOM 0 HB2 PRO B 2 13.584 -11.623 -3.443 1.00 0.69 H new ATOM 0 HB3 PRO B 2 13.264 -12.797 -4.704 1.00 0.69 H new ATOM 0 HG2 PRO B 2 13.553 -13.241 -1.735 1.00 0.80 H new ATOM 0 HG3 PRO B 2 12.352 -13.895 -2.831 1.00 0.80 H new ATOM 0 HD2 PRO B 2 14.462 -15.392 -2.072 1.00 0.84 H new ATOM 0 HD3 PRO B 2 13.832 -15.517 -3.702 1.00 0.84 H new ATOM 1199 N SER B 3 16.761 -10.926 -3.732 1.00 0.51 N ATOM 1200 CA SER B 3 17.541 -9.934 -3.013 1.00 0.47 C ATOM 1201 C SER B 3 16.614 -8.892 -2.388 1.00 0.40 C ATOM 1202 O SER B 3 15.427 -8.839 -2.706 1.00 0.37 O ATOM 1203 CB SER B 3 18.540 -9.271 -3.961 1.00 0.46 C ATOM 1204 OG SER B 3 19.396 -10.234 -4.553 1.00 0.59 O ATOM 0 H SER B 3 16.777 -10.825 -4.747 1.00 0.51 H new ATOM 0 HA SER B 3 18.096 -10.424 -2.213 1.00 0.47 H new ATOM 0 HB2 SER B 3 18.003 -8.729 -4.740 1.00 0.46 H new ATOM 0 HB3 SER B 3 19.134 -8.538 -3.415 1.00 0.46 H new ATOM 0 HG SER B 3 20.025 -9.786 -5.156 1.00 0.59 H new ATOM 1210 N LYS B 4 17.143 -8.069 -1.496 1.00 0.41 N ATOM 1211 CA LYS B 4 16.336 -7.036 -0.860 1.00 0.41 C ATOM 1212 C LYS B 4 15.861 -6.001 -1.887 1.00 0.29 C ATOM 1213 O LYS B 4 14.950 -5.217 -1.619 1.00 0.27 O ATOM 1214 CB LYS B 4 17.117 -6.385 0.288 1.00 0.54 C ATOM 1215 CG LYS B 4 18.353 -5.620 -0.140 1.00 0.84 C ATOM 1216 CD LYS B 4 19.467 -5.745 0.881 1.00 0.95 C ATOM 1217 CE LYS B 4 19.074 -5.161 2.225 1.00 0.62 C ATOM 1218 NZ LYS B 4 19.610 -5.980 3.342 1.00 1.79 N ATOM 0 H LYS B 4 18.118 -8.094 -1.197 1.00 0.41 H new ATOM 0 HA LYS B 4 15.444 -7.498 -0.437 1.00 0.41 H new ATOM 0 HB2 LYS B 4 16.453 -5.705 0.822 1.00 0.54 H new ATOM 0 HB3 LYS B 4 17.413 -7.161 0.994 1.00 0.54 H new ATOM 0 HG2 LYS B 4 18.698 -5.994 -1.104 1.00 0.84 H new ATOM 0 HG3 LYS B 4 18.101 -4.568 -0.278 1.00 0.84 H new ATOM 0 HD2 LYS B 4 19.729 -6.796 1.005 1.00 0.95 H new ATOM 0 HD3 LYS B 4 20.357 -5.236 0.511 1.00 0.95 H new ATOM 0 HE2 LYS B 4 19.449 -4.141 2.305 1.00 0.62 H new ATOM 0 HE3 LYS B 4 17.988 -5.108 2.298 1.00 0.62 H new ATOM 0 HZ1 LYS B 4 19.963 -5.354 4.093 1.00 1.79 H new ATOM 0 HZ2 LYS B 4 18.855 -6.585 3.722 1.00 1.79 H new ATOM 0 HZ3 LYS B 4 20.388 -6.575 2.994 1.00 1.79 H new ATOM 1232 N LEU B 5 16.478 -6.006 -3.068 1.00 0.26 N ATOM 1233 CA LEU B 5 15.990 -5.208 -4.185 1.00 0.21 C ATOM 1234 C LEU B 5 14.736 -5.833 -4.777 1.00 0.18 C ATOM 1235 O LEU B 5 13.830 -5.125 -5.204 1.00 0.17 O ATOM 1236 CB LEU B 5 17.077 -5.016 -5.246 1.00 0.22 C ATOM 1237 CG LEU B 5 16.618 -4.439 -6.587 1.00 0.25 C ATOM 1238 CD1 LEU B 5 17.667 -3.487 -7.135 1.00 0.27 C ATOM 1239 CD2 LEU B 5 16.358 -5.551 -7.592 1.00 0.32 C ATOM 0 H LEU B 5 17.314 -6.553 -3.273 1.00 0.26 H new ATOM 0 HA LEU B 5 15.728 -4.218 -3.810 1.00 0.21 H new ATOM 0 HB2 LEU B 5 17.844 -4.360 -4.835 1.00 0.22 H new ATOM 0 HB3 LEU B 5 17.549 -5.981 -5.432 1.00 0.22 H new ATOM 0 HG LEU B 5 15.689 -3.893 -6.422 1.00 0.25 H new ATOM 0 HD11 LEU B 5 17.329 -3.083 -8.089 1.00 0.27 H new ATOM 0 HD12 LEU B 5 17.821 -2.670 -6.430 1.00 0.27 H new ATOM 0 HD13 LEU B 5 18.605 -4.023 -7.280 1.00 0.27 H new ATOM 0 HD21 LEU B 5 16.033 -5.118 -8.538 1.00 0.32 H new ATOM 0 HD22 LEU B 5 17.274 -6.121 -7.750 1.00 0.32 H new ATOM 0 HD23 LEU B 5 15.581 -6.213 -7.210 1.00 0.32 H new ATOM 1251 N ALA B 6 14.688 -7.156 -4.814 1.00 0.22 N ATOM 1252 CA ALA B 6 13.458 -7.839 -5.178 1.00 0.26 C ATOM 1253 C ALA B 6 12.324 -7.345 -4.292 1.00 0.24 C ATOM 1254 O ALA B 6 11.219 -7.120 -4.767 1.00 0.27 O ATOM 1255 CB ALA B 6 13.608 -9.350 -5.063 1.00 0.35 C ATOM 0 H ALA B 6 15.474 -7.770 -4.600 1.00 0.22 H new ATOM 0 HA ALA B 6 13.229 -7.612 -6.219 1.00 0.26 H new ATOM 0 HB1 ALA B 6 12.671 -9.831 -5.342 1.00 0.35 H new ATOM 0 HB2 ALA B 6 14.402 -9.689 -5.729 1.00 0.35 H new ATOM 0 HB3 ALA B 6 13.859 -9.614 -4.036 1.00 0.35 H new ATOM 1261 N LEU B 7 12.623 -7.144 -3.008 1.00 0.22 N ATOM 1262 CA LEU B 7 11.638 -6.608 -2.065 1.00 0.22 C ATOM 1263 C LEU B 7 11.194 -5.192 -2.439 1.00 0.18 C ATOM 1264 O LEU B 7 10.004 -4.934 -2.596 1.00 0.19 O ATOM 1265 CB LEU B 7 12.221 -6.570 -0.650 1.00 0.24 C ATOM 1266 CG LEU B 7 12.133 -7.863 0.162 1.00 0.29 C ATOM 1267 CD1 LEU B 7 12.928 -8.988 -0.485 1.00 0.31 C ATOM 1268 CD2 LEU B 7 12.627 -7.604 1.574 1.00 0.32 C ATOM 0 H LEU B 7 13.535 -7.343 -2.597 1.00 0.22 H new ATOM 0 HA LEU B 7 10.773 -7.270 -2.106 1.00 0.22 H new ATOM 0 HB2 LEU B 7 13.270 -6.283 -0.721 1.00 0.24 H new ATOM 0 HB3 LEU B 7 11.713 -5.783 -0.093 1.00 0.24 H new ATOM 0 HG LEU B 7 11.091 -8.182 0.192 1.00 0.29 H new ATOM 0 HD11 LEU B 7 12.841 -9.890 0.121 1.00 0.31 H new ATOM 0 HD12 LEU B 7 12.537 -9.183 -1.484 1.00 0.31 H new ATOM 0 HD13 LEU B 7 13.976 -8.698 -0.556 1.00 0.31 H new ATOM 0 HD21 LEU B 7 12.566 -8.524 2.155 1.00 0.32 H new ATOM 0 HD22 LEU B 7 13.662 -7.264 1.541 1.00 0.32 H new ATOM 0 HD23 LEU B 7 12.008 -6.838 2.041 1.00 0.32 H new ATOM 1280 N ILE B 8 12.154 -4.277 -2.581 1.00 0.16 N ATOM 1281 CA ILE B 8 11.831 -2.888 -2.918 1.00 0.15 C ATOM 1282 C ILE B 8 11.111 -2.781 -4.266 1.00 0.16 C ATOM 1283 O ILE B 8 10.233 -1.940 -4.442 1.00 0.18 O ATOM 1284 CB ILE B 8 13.079 -1.954 -2.872 1.00 0.16 C ATOM 1285 CG1 ILE B 8 14.264 -2.554 -3.614 1.00 0.19 C ATOM 1286 CG2 ILE B 8 13.456 -1.618 -1.437 1.00 0.16 C ATOM 1287 CD1 ILE B 8 14.370 -2.083 -5.046 1.00 0.23 C ATOM 0 H ILE B 8 13.150 -4.468 -2.470 1.00 0.16 H new ATOM 0 HA ILE B 8 11.145 -2.540 -2.145 1.00 0.15 H new ATOM 0 HB ILE B 8 12.808 -1.030 -3.382 1.00 0.16 H new ATOM 0 HG12 ILE B 8 15.182 -2.299 -3.085 1.00 0.19 H new ATOM 0 HG13 ILE B 8 14.180 -3.641 -3.601 1.00 0.19 H new ATOM 0 HG21 ILE B 8 14.329 -0.966 -1.433 1.00 0.16 H new ATOM 0 HG22 ILE B 8 12.622 -1.111 -0.951 1.00 0.16 H new ATOM 0 HG23 ILE B 8 13.687 -2.536 -0.897 1.00 0.16 H new ATOM 0 HD11 ILE B 8 15.235 -2.548 -5.519 1.00 0.23 H new ATOM 0 HD12 ILE B 8 13.467 -2.362 -5.589 1.00 0.23 H new ATOM 0 HD13 ILE B 8 14.485 -0.999 -5.065 1.00 0.23 H new ATOM 1299 N GLN B 9 11.476 -3.644 -5.206 1.00 0.16 N ATOM 1300 CA GLN B 9 10.834 -3.671 -6.516 1.00 0.20 C ATOM 1301 C GLN B 9 9.452 -4.330 -6.482 1.00 0.22 C ATOM 1302 O GLN B 9 8.575 -3.967 -7.264 1.00 0.25 O ATOM 1303 CB GLN B 9 11.727 -4.376 -7.537 1.00 0.22 C ATOM 1304 CG GLN B 9 12.811 -3.473 -8.104 1.00 0.27 C ATOM 1305 CD GLN B 9 12.246 -2.362 -8.971 1.00 0.99 C ATOM 1306 OE1 GLN B 9 12.784 -1.259 -9.019 1.00 1.94 O ATOM 1307 NE2 GLN B 9 11.171 -2.656 -9.688 1.00 1.38 N ATOM 0 H GLN B 9 12.215 -4.337 -5.086 1.00 0.16 H new ATOM 0 HA GLN B 9 10.689 -2.633 -6.816 1.00 0.20 H new ATOM 0 HB2 GLN B 9 12.193 -5.242 -7.067 1.00 0.22 H new ATOM 0 HB3 GLN B 9 11.110 -4.750 -8.354 1.00 0.22 H new ATOM 0 HG2 GLN B 9 13.381 -3.036 -7.284 1.00 0.27 H new ATOM 0 HG3 GLN B 9 13.507 -4.071 -8.693 1.00 0.27 H new ATOM 0 HE21 GLN B 9 10.752 -3.583 -9.622 1.00 1.38 H new ATOM 0 HE22 GLN B 9 10.763 -1.955 -10.306 1.00 1.38 H new ATOM 1316 N GLU B 10 9.266 -5.321 -5.616 1.00 0.23 N ATOM 1317 CA GLU B 10 7.987 -6.026 -5.527 1.00 0.27 C ATOM 1318 C GLU B 10 6.954 -5.239 -4.736 1.00 0.25 C ATOM 1319 O GLU B 10 5.766 -5.520 -4.843 1.00 0.28 O ATOM 1320 CB GLU B 10 8.144 -7.434 -4.944 1.00 0.31 C ATOM 1321 CG GLU B 10 8.409 -7.462 -3.449 1.00 0.31 C ATOM 1322 CD GLU B 10 8.443 -8.868 -2.889 1.00 0.39 C ATOM 1323 OE1 GLU B 10 7.358 -9.471 -2.740 1.00 1.23 O ATOM 1324 OE2 GLU B 10 9.538 -9.367 -2.570 1.00 1.09 O ATOM 0 H GLU B 10 9.979 -5.655 -4.968 1.00 0.23 H new ATOM 0 HA GLU B 10 7.625 -6.124 -6.550 1.00 0.27 H new ATOM 0 HB2 GLU B 10 7.239 -8.004 -5.152 1.00 0.31 H new ATOM 0 HB3 GLU B 10 8.963 -7.938 -5.457 1.00 0.31 H new ATOM 0 HG2 GLU B 10 9.360 -6.970 -3.243 1.00 0.31 H new ATOM 0 HG3 GLU B 10 7.636 -6.889 -2.936 1.00 0.31 H new ATOM 1331 N LEU B 11 7.405 -4.292 -3.913 1.00 0.22 N ATOM 1332 CA LEU B 11 6.490 -3.450 -3.131 1.00 0.21 C ATOM 1333 C LEU B 11 5.316 -2.934 -3.983 1.00 0.22 C ATOM 1334 O LEU B 11 4.167 -3.020 -3.551 1.00 0.21 O ATOM 1335 CB LEU B 11 7.226 -2.267 -2.487 1.00 0.21 C ATOM 1336 CG LEU B 11 8.352 -2.634 -1.520 1.00 0.19 C ATOM 1337 CD1 LEU B 11 8.913 -1.383 -0.867 1.00 0.21 C ATOM 1338 CD2 LEU B 11 7.862 -3.609 -0.462 1.00 0.19 C ATOM 0 H LEU B 11 8.394 -4.087 -3.769 1.00 0.22 H new ATOM 0 HA LEU B 11 6.087 -4.082 -2.340 1.00 0.21 H new ATOM 0 HB2 LEU B 11 7.641 -1.646 -3.281 1.00 0.21 H new ATOM 0 HB3 LEU B 11 6.498 -1.657 -1.953 1.00 0.21 H new ATOM 0 HG LEU B 11 9.145 -3.120 -2.088 1.00 0.19 H new ATOM 0 HD11 LEU B 11 9.714 -1.659 -0.181 1.00 0.21 H new ATOM 0 HD12 LEU B 11 9.306 -0.717 -1.635 1.00 0.21 H new ATOM 0 HD13 LEU B 11 8.122 -0.874 -0.316 1.00 0.21 H new ATOM 0 HD21 LEU B 11 8.681 -3.855 0.214 1.00 0.19 H new ATOM 0 HD22 LEU B 11 7.049 -3.154 0.104 1.00 0.19 H new ATOM 0 HD23 LEU B 11 7.504 -4.519 -0.944 1.00 0.19 H new ATOM 1350 N PRO B 12 5.573 -2.385 -5.198 1.00 0.23 N ATOM 1351 CA PRO B 12 4.503 -2.005 -6.129 1.00 0.26 C ATOM 1352 C PRO B 12 3.488 -3.123 -6.380 1.00 0.27 C ATOM 1353 O PRO B 12 2.280 -2.880 -6.405 1.00 0.29 O ATOM 1354 CB PRO B 12 5.250 -1.667 -7.418 1.00 0.32 C ATOM 1355 CG PRO B 12 6.592 -1.217 -6.963 1.00 0.29 C ATOM 1356 CD PRO B 12 6.905 -2.021 -5.732 1.00 0.24 C ATOM 0 HA PRO B 12 3.909 -1.183 -5.729 1.00 0.26 H new ATOM 0 HB2 PRO B 12 5.323 -2.535 -8.073 1.00 0.32 H new ATOM 0 HB3 PRO B 12 4.739 -0.885 -7.980 1.00 0.32 H new ATOM 0 HG2 PRO B 12 7.342 -1.381 -7.737 1.00 0.29 H new ATOM 0 HG3 PRO B 12 6.591 -0.150 -6.742 1.00 0.29 H new ATOM 0 HD2 PRO B 12 7.495 -2.906 -5.972 1.00 0.24 H new ATOM 0 HD3 PRO B 12 7.480 -1.440 -5.011 1.00 0.24 H new ATOM 1364 N ASP B 13 3.977 -4.344 -6.557 1.00 0.27 N ATOM 1365 CA ASP B 13 3.105 -5.493 -6.789 1.00 0.29 C ATOM 1366 C ASP B 13 2.358 -5.867 -5.515 1.00 0.26 C ATOM 1367 O ASP B 13 1.175 -6.196 -5.549 1.00 0.25 O ATOM 1368 CB ASP B 13 3.912 -6.696 -7.287 1.00 0.35 C ATOM 1369 CG ASP B 13 4.374 -6.536 -8.721 1.00 1.17 C ATOM 1370 OD1 ASP B 13 3.596 -6.870 -9.638 1.00 1.70 O ATOM 1371 OD2 ASP B 13 5.520 -6.085 -8.935 1.00 2.01 O ATOM 0 H ASP B 13 4.972 -4.566 -6.545 1.00 0.27 H new ATOM 0 HA ASP B 13 2.381 -5.214 -7.555 1.00 0.29 H new ATOM 0 HB2 ASP B 13 4.780 -6.838 -6.643 1.00 0.35 H new ATOM 0 HB3 ASP B 13 3.303 -7.596 -7.204 1.00 0.35 H new ATOM 1376 N ARG B 14 3.066 -5.822 -4.395 1.00 0.27 N ATOM 1377 CA ARG B 14 2.472 -6.088 -3.090 1.00 0.27 C ATOM 1378 C ARG B 14 1.347 -5.113 -2.784 1.00 0.24 C ATOM 1379 O ARG B 14 0.339 -5.498 -2.214 1.00 0.25 O ATOM 1380 CB ARG B 14 3.517 -6.012 -1.983 1.00 0.31 C ATOM 1381 CG ARG B 14 4.423 -7.224 -1.907 1.00 0.42 C ATOM 1382 CD ARG B 14 5.409 -7.090 -0.762 1.00 0.37 C ATOM 1383 NE ARG B 14 6.304 -8.240 -0.670 1.00 0.86 N ATOM 1384 CZ ARG B 14 6.696 -8.796 0.473 1.00 0.60 C ATOM 1385 NH1 ARG B 14 6.205 -8.365 1.629 1.00 1.20 N ATOM 1386 NH2 ARG B 14 7.564 -9.800 0.455 1.00 1.04 N ATOM 0 H ARG B 14 4.061 -5.602 -4.364 1.00 0.27 H new ATOM 0 HA ARG B 14 2.064 -7.098 -3.128 1.00 0.27 H new ATOM 0 HB2 ARG B 14 4.129 -5.123 -2.135 1.00 0.31 H new ATOM 0 HB3 ARG B 14 3.010 -5.890 -1.026 1.00 0.31 H new ATOM 0 HG2 ARG B 14 3.823 -8.124 -1.772 1.00 0.42 H new ATOM 0 HG3 ARG B 14 4.964 -7.339 -2.847 1.00 0.42 H new ATOM 0 HD2 ARG B 14 5.998 -6.183 -0.896 1.00 0.37 H new ATOM 0 HD3 ARG B 14 4.863 -6.980 0.175 1.00 0.37 H new ATOM 0 HE ARG B 14 6.652 -8.644 -1.540 1.00 0.86 H new ATOM 0 HH11 ARG B 14 5.525 -7.605 1.643 1.00 1.20 H new ATOM 0 HH12 ARG B 14 6.508 -8.794 2.503 1.00 1.20 H new ATOM 0 HH21 ARG B 14 7.929 -10.143 -0.434 1.00 1.04 H new ATOM 0 HH22 ARG B 14 7.867 -10.228 1.330 1.00 1.04 H new ATOM 1400 N ILE B 15 1.538 -3.852 -3.138 1.00 0.22 N ATOM 1401 CA ILE B 15 0.524 -2.829 -2.915 1.00 0.22 C ATOM 1402 C ILE B 15 -0.594 -2.932 -3.946 1.00 0.21 C ATOM 1403 O ILE B 15 -1.752 -2.636 -3.646 1.00 0.21 O ATOM 1404 CB ILE B 15 1.166 -1.420 -2.892 1.00 0.23 C ATOM 1405 CG1 ILE B 15 0.748 -0.681 -1.620 1.00 0.26 C ATOM 1406 CG2 ILE B 15 0.825 -0.607 -4.135 1.00 0.21 C ATOM 1407 CD1 ILE B 15 -0.701 -0.236 -1.600 1.00 0.29 C ATOM 0 H ILE B 15 2.389 -3.510 -3.583 1.00 0.22 H new ATOM 0 HA ILE B 15 0.072 -2.998 -1.938 1.00 0.22 H new ATOM 0 HB ILE B 15 2.249 -1.547 -2.893 1.00 0.23 H new ATOM 0 HG12 ILE B 15 0.928 -1.329 -0.762 1.00 0.26 H new ATOM 0 HG13 ILE B 15 1.386 0.194 -1.497 1.00 0.26 H new ATOM 0 HG21 ILE B 15 1.299 0.373 -4.070 1.00 0.21 H new ATOM 0 HG22 ILE B 15 1.188 -1.128 -5.021 1.00 0.21 H new ATOM 0 HG23 ILE B 15 -0.256 -0.483 -4.204 1.00 0.21 H new ATOM 0 HD11 ILE B 15 -0.911 0.279 -0.662 1.00 0.29 H new ATOM 0 HD12 ILE B 15 -0.885 0.440 -2.435 1.00 0.29 H new ATOM 0 HD13 ILE B 15 -1.350 -1.107 -1.688 1.00 0.29 H new ATOM 1419 N GLN B 16 -0.259 -3.370 -5.151 1.00 0.22 N ATOM 1420 CA GLN B 16 -1.277 -3.680 -6.138 1.00 0.24 C ATOM 1421 C GLN B 16 -2.140 -4.820 -5.617 1.00 0.23 C ATOM 1422 O GLN B 16 -3.355 -4.805 -5.755 1.00 0.25 O ATOM 1423 CB GLN B 16 -0.636 -4.040 -7.481 1.00 0.29 C ATOM 1424 CG GLN B 16 -1.620 -4.571 -8.511 1.00 0.92 C ATOM 1425 CD GLN B 16 -1.061 -4.548 -9.918 1.00 1.21 C ATOM 1426 OE1 GLN B 16 -1.258 -3.583 -10.659 1.00 1.80 O ATOM 1427 NE2 GLN B 16 -0.341 -5.591 -10.290 1.00 1.82 N ATOM 0 H GLN B 16 0.700 -3.517 -5.465 1.00 0.22 H new ATOM 0 HA GLN B 16 -1.905 -2.805 -6.303 1.00 0.24 H new ATOM 0 HB2 GLN B 16 -0.143 -3.156 -7.886 1.00 0.29 H new ATOM 0 HB3 GLN B 16 0.139 -4.788 -7.314 1.00 0.29 H new ATOM 0 HG2 GLN B 16 -1.896 -5.593 -8.251 1.00 0.92 H new ATOM 0 HG3 GLN B 16 -2.532 -3.976 -8.477 1.00 0.92 H new ATOM 0 HE21 GLN B 16 -0.201 -6.370 -9.647 1.00 1.82 H new ATOM 0 HE22 GLN B 16 0.076 -5.617 -11.221 1.00 1.82 H new ATOM 1436 N THR B 17 -1.492 -5.782 -4.976 1.00 0.24 N ATOM 1437 CA THR B 17 -2.174 -6.911 -4.367 1.00 0.26 C ATOM 1438 C THR B 17 -2.859 -6.497 -3.066 1.00 0.24 C ATOM 1439 O THR B 17 -3.863 -7.082 -2.660 1.00 0.34 O ATOM 1440 CB THR B 17 -1.174 -8.054 -4.101 1.00 0.31 C ATOM 1441 OG1 THR B 17 -0.474 -8.368 -5.310 1.00 0.32 O ATOM 1442 CG2 THR B 17 -1.867 -9.305 -3.581 1.00 0.43 C ATOM 0 H THR B 17 -0.478 -5.800 -4.864 1.00 0.24 H new ATOM 0 HA THR B 17 -2.940 -7.262 -5.059 1.00 0.26 H new ATOM 0 HB THR B 17 -0.477 -7.714 -3.336 1.00 0.31 H new ATOM 0 HG1 THR B 17 0.258 -7.730 -5.439 1.00 0.32 H new ATOM 0 HG21 THR B 17 -1.126 -10.085 -3.407 1.00 0.43 H new ATOM 0 HG22 THR B 17 -2.379 -9.076 -2.646 1.00 0.43 H new ATOM 0 HG23 THR B 17 -2.593 -9.651 -4.317 1.00 0.43 H new ATOM 1450 N ALA B 18 -2.321 -5.471 -2.431 1.00 0.20 N ATOM 1451 CA ALA B 18 -2.885 -4.948 -1.203 1.00 0.21 C ATOM 1452 C ALA B 18 -4.277 -4.410 -1.458 1.00 0.19 C ATOM 1453 O ALA B 18 -5.172 -4.566 -0.637 1.00 0.25 O ATOM 1454 CB ALA B 18 -1.997 -3.858 -0.623 1.00 0.26 C ATOM 0 H ALA B 18 -1.486 -4.980 -2.751 1.00 0.20 H new ATOM 0 HA ALA B 18 -2.946 -5.760 -0.478 1.00 0.21 H new ATOM 0 HB1 ALA B 18 -2.440 -3.480 0.298 1.00 0.26 H new ATOM 0 HB2 ALA B 18 -1.010 -4.268 -0.410 1.00 0.26 H new ATOM 0 HB3 ALA B 18 -1.904 -3.044 -1.342 1.00 0.26 H new ATOM 1460 N VAL B 19 -4.458 -3.789 -2.613 1.00 0.19 N ATOM 1461 CA VAL B 19 -5.710 -3.123 -2.893 1.00 0.24 C ATOM 1462 C VAL B 19 -6.453 -3.693 -4.112 1.00 0.25 C ATOM 1463 O VAL B 19 -7.507 -3.176 -4.487 1.00 0.32 O ATOM 1464 CB VAL B 19 -5.472 -1.611 -3.065 1.00 0.45 C ATOM 1465 CG1 VAL B 19 -5.130 -1.260 -4.501 1.00 1.06 C ATOM 1466 CG2 VAL B 19 -6.664 -0.821 -2.573 1.00 1.78 C ATOM 0 H VAL B 19 -3.763 -3.735 -3.358 1.00 0.19 H new ATOM 0 HA VAL B 19 -6.358 -3.304 -2.035 1.00 0.24 H new ATOM 0 HB VAL B 19 -4.612 -1.338 -2.454 1.00 0.45 H new ATOM 0 HG11 VAL B 19 -4.969 -0.185 -4.584 1.00 1.06 H new ATOM 0 HG12 VAL B 19 -4.223 -1.787 -4.798 1.00 1.06 H new ATOM 0 HG13 VAL B 19 -5.952 -1.555 -5.153 1.00 1.06 H new ATOM 0 HG21 VAL B 19 -6.474 0.244 -2.704 1.00 1.78 H new ATOM 0 HG22 VAL B 19 -7.549 -1.104 -3.143 1.00 1.78 H new ATOM 0 HG23 VAL B 19 -6.830 -1.033 -1.517 1.00 1.78 H new ATOM 1476 N GLU B 20 -5.938 -4.764 -4.719 1.00 0.24 N ATOM 1477 CA GLU B 20 -6.615 -5.373 -5.870 1.00 0.31 C ATOM 1478 C GLU B 20 -7.998 -5.866 -5.467 1.00 0.31 C ATOM 1479 O GLU B 20 -8.933 -5.871 -6.267 1.00 0.33 O ATOM 1480 CB GLU B 20 -5.777 -6.509 -6.491 1.00 0.40 C ATOM 1481 CG GLU B 20 -5.297 -7.584 -5.519 1.00 0.42 C ATOM 1482 CD GLU B 20 -6.352 -8.622 -5.190 1.00 0.92 C ATOM 1483 OE1 GLU B 20 -6.803 -9.333 -6.109 1.00 1.61 O ATOM 1484 OE2 GLU B 20 -6.733 -8.730 -4.007 1.00 1.66 O ATOM 0 H GLU B 20 -5.070 -5.222 -4.441 1.00 0.24 H new ATOM 0 HA GLU B 20 -6.729 -4.607 -6.637 1.00 0.31 H new ATOM 0 HB2 GLU B 20 -6.369 -6.988 -7.271 1.00 0.40 H new ATOM 0 HB3 GLU B 20 -4.906 -6.069 -6.977 1.00 0.40 H new ATOM 0 HG2 GLU B 20 -4.428 -8.085 -5.945 1.00 0.42 H new ATOM 0 HG3 GLU B 20 -4.969 -7.106 -4.596 1.00 0.42 H new ATOM 1491 N ALA B 21 -8.096 -6.281 -4.218 1.00 0.31 N ATOM 1492 CA ALA B 21 -9.368 -6.650 -3.621 1.00 0.33 C ATOM 1493 C ALA B 21 -10.366 -5.498 -3.724 1.00 0.27 C ATOM 1494 O ALA B 21 -11.476 -5.670 -4.215 1.00 0.26 O ATOM 1495 CB ALA B 21 -9.164 -7.048 -2.169 1.00 0.38 C ATOM 0 H ALA B 21 -7.298 -6.372 -3.589 1.00 0.31 H new ATOM 0 HA ALA B 21 -9.775 -7.502 -4.166 1.00 0.33 H new ATOM 0 HB1 ALA B 21 -10.123 -7.323 -1.729 1.00 0.38 H new ATOM 0 HB2 ALA B 21 -8.483 -7.898 -2.117 1.00 0.38 H new ATOM 0 HB3 ALA B 21 -8.739 -6.209 -1.618 1.00 0.38 H new ATOM 1501 N ALA B 22 -9.947 -4.320 -3.283 1.00 0.27 N ATOM 1502 CA ALA B 22 -10.807 -3.143 -3.287 1.00 0.27 C ATOM 1503 C ALA B 22 -10.992 -2.573 -4.694 1.00 0.27 C ATOM 1504 O ALA B 22 -12.026 -1.977 -5.002 1.00 0.31 O ATOM 1505 CB ALA B 22 -10.261 -2.092 -2.341 1.00 0.33 C ATOM 0 H ALA B 22 -9.010 -4.153 -2.915 1.00 0.27 H new ATOM 0 HA ALA B 22 -11.793 -3.451 -2.938 1.00 0.27 H new ATOM 0 HB1 ALA B 22 -10.912 -1.218 -2.353 1.00 0.33 H new ATOM 0 HB2 ALA B 22 -10.218 -2.499 -1.331 1.00 0.33 H new ATOM 0 HB3 ALA B 22 -9.259 -1.802 -2.658 1.00 0.33 H new ATOM 1511 N MET B 23 -9.982 -2.717 -5.542 1.00 0.28 N ATOM 1512 CA MET B 23 -10.090 -2.251 -6.920 1.00 0.32 C ATOM 1513 C MET B 23 -11.033 -3.147 -7.712 1.00 0.33 C ATOM 1514 O MET B 23 -11.907 -2.660 -8.428 1.00 0.37 O ATOM 1515 CB MET B 23 -8.719 -2.185 -7.596 1.00 0.35 C ATOM 1516 CG MET B 23 -7.782 -1.151 -6.992 1.00 0.41 C ATOM 1517 SD MET B 23 -8.516 0.493 -6.882 1.00 0.76 S ATOM 1518 CE MET B 23 -8.821 0.604 -5.122 1.00 0.77 C ATOM 0 H MET B 23 -9.088 -3.147 -5.305 1.00 0.28 H new ATOM 0 HA MET B 23 -10.500 -1.241 -6.900 1.00 0.32 H new ATOM 0 HB2 MET B 23 -8.248 -3.166 -7.536 1.00 0.35 H new ATOM 0 HB3 MET B 23 -8.857 -1.962 -8.654 1.00 0.35 H new ATOM 0 HG2 MET B 23 -7.485 -1.477 -5.995 1.00 0.41 H new ATOM 0 HG3 MET B 23 -6.874 -1.097 -7.593 1.00 0.41 H new ATOM 0 HE1 MET B 23 -9.597 1.346 -4.933 1.00 0.77 H new ATOM 0 HE2 MET B 23 -9.148 -0.366 -4.748 1.00 0.77 H new ATOM 0 HE3 MET B 23 -7.904 0.899 -4.612 1.00 0.77 H new ATOM 1528 N GLY B 24 -10.866 -4.455 -7.567 1.00 0.34 N ATOM 1529 CA GLY B 24 -11.772 -5.398 -8.199 1.00 0.39 C ATOM 1530 C GLY B 24 -13.047 -5.587 -7.401 1.00 0.43 C ATOM 1531 O GLY B 24 -13.866 -6.458 -7.706 1.00 0.63 O ATOM 0 H GLY B 24 -10.117 -4.882 -7.022 1.00 0.34 H new ATOM 0 HA2 GLY B 24 -12.020 -5.046 -9.200 1.00 0.39 H new ATOM 0 HA3 GLY B 24 -11.271 -6.359 -8.314 1.00 0.39 H new ATOM 1535 N MET B 25 -13.212 -4.764 -6.375 1.00 0.42 N ATOM 1536 CA MET B 25 -14.380 -4.818 -5.511 1.00 0.46 C ATOM 1537 C MET B 25 -15.627 -4.381 -6.254 1.00 0.44 C ATOM 1538 O MET B 25 -15.613 -3.391 -6.982 1.00 0.48 O ATOM 1539 CB MET B 25 -14.166 -3.931 -4.283 1.00 0.59 C ATOM 1540 CG MET B 25 -15.375 -3.821 -3.372 1.00 0.60 C ATOM 1541 SD MET B 25 -14.910 -3.558 -1.657 1.00 0.99 S ATOM 1542 CE MET B 25 -14.465 -1.831 -1.695 1.00 0.45 C ATOM 0 H MET B 25 -12.540 -4.041 -6.119 1.00 0.42 H new ATOM 0 HA MET B 25 -14.518 -5.850 -5.190 1.00 0.46 H new ATOM 0 HB2 MET B 25 -13.327 -4.323 -3.708 1.00 0.59 H new ATOM 0 HB3 MET B 25 -13.885 -2.932 -4.616 1.00 0.59 H new ATOM 0 HG2 MET B 25 -16.006 -2.997 -3.706 1.00 0.60 H new ATOM 0 HG3 MET B 25 -15.971 -4.731 -3.450 1.00 0.60 H new ATOM 0 HE1 MET B 25 -13.684 -1.640 -0.959 1.00 0.45 H new ATOM 0 HE2 MET B 25 -14.099 -1.571 -2.688 1.00 0.45 H new ATOM 0 HE3 MET B 25 -15.340 -1.225 -1.461 1.00 0.45 H new ATOM 1552 N SER B 26 -16.692 -5.137 -6.083 1.00 0.51 N ATOM 1553 CA SER B 26 -17.972 -4.776 -6.648 1.00 0.60 C ATOM 1554 C SER B 26 -18.696 -3.846 -5.710 1.00 0.83 C ATOM 1555 O SER B 26 -19.221 -4.273 -4.695 1.00 1.79 O ATOM 1556 CB SER B 26 -18.816 -6.013 -6.882 1.00 0.63 C ATOM 1557 OG SER B 26 -20.042 -5.688 -7.521 1.00 1.43 O ATOM 0 H SER B 26 -16.694 -6.009 -5.554 1.00 0.51 H new ATOM 0 HA SER B 26 -17.804 -4.278 -7.603 1.00 0.60 H new ATOM 0 HB2 SER B 26 -18.261 -6.724 -7.495 1.00 0.63 H new ATOM 0 HB3 SER B 26 -19.019 -6.503 -5.930 1.00 0.63 H new ATOM 0 HG SER B 26 -20.612 -5.187 -6.900 1.00 1.43 H new ATOM 1563 N TYR B 27 -18.694 -2.577 -6.036 1.00 0.48 N ATOM 1564 CA TYR B 27 -19.375 -1.584 -5.230 1.00 0.47 C ATOM 1565 C TYR B 27 -20.511 -0.968 -6.035 1.00 0.48 C ATOM 1566 O TYR B 27 -21.167 -0.032 -5.594 1.00 0.54 O ATOM 1567 CB TYR B 27 -18.375 -0.516 -4.776 1.00 0.47 C ATOM 1568 CG TYR B 27 -17.572 0.045 -5.919 1.00 0.42 C ATOM 1569 CD1 TYR B 27 -16.460 -0.621 -6.405 1.00 1.36 C ATOM 1570 CD2 TYR B 27 -17.955 1.222 -6.536 1.00 1.16 C ATOM 1571 CE1 TYR B 27 -15.751 -0.121 -7.475 1.00 1.39 C ATOM 1572 CE2 TYR B 27 -17.265 1.734 -7.606 1.00 1.18 C ATOM 1573 CZ TYR B 27 -16.156 1.059 -8.079 1.00 0.54 C ATOM 1574 OH TYR B 27 -15.451 1.559 -9.150 1.00 0.68 O ATOM 0 H TYR B 27 -18.225 -2.201 -6.860 1.00 0.48 H new ATOM 0 HA TYR B 27 -19.799 -2.053 -4.342 1.00 0.47 H new ATOM 0 HB2 TYR B 27 -18.912 0.294 -4.282 1.00 0.47 H new ATOM 0 HB3 TYR B 27 -17.698 -0.947 -4.038 1.00 0.47 H new ATOM 0 HD1 TYR B 27 -16.145 -1.543 -5.940 1.00 1.36 H new ATOM 0 HD2 TYR B 27 -18.820 1.752 -6.166 1.00 1.16 H new ATOM 0 HE1 TYR B 27 -14.882 -0.647 -7.842 1.00 1.39 H new ATOM 0 HE2 TYR B 27 -17.585 2.654 -8.073 1.00 1.18 H new ATOM 0 HH TYR B 27 -15.868 2.392 -9.456 1.00 0.68 H new ATOM 1584 N GLN B 28 -20.741 -1.519 -7.223 1.00 0.53 N ATOM 1585 CA GLN B 28 -21.807 -1.049 -8.102 1.00 0.62 C ATOM 1586 C GLN B 28 -23.161 -1.505 -7.573 1.00 0.70 C ATOM 1587 O GLN B 28 -24.211 -1.059 -8.030 1.00 0.86 O ATOM 1588 CB GLN B 28 -21.584 -1.565 -9.524 1.00 0.72 C ATOM 1589 CG GLN B 28 -21.524 -3.080 -9.619 1.00 1.34 C ATOM 1590 CD GLN B 28 -21.170 -3.568 -11.010 1.00 1.67 C ATOM 1591 OE1 GLN B 28 -21.484 -2.918 -12.008 1.00 2.14 O ATOM 1592 NE2 GLN B 28 -20.518 -4.717 -11.083 1.00 2.12 N ATOM 0 H GLN B 28 -20.200 -2.296 -7.601 1.00 0.53 H new ATOM 0 HA GLN B 28 -21.793 0.041 -8.124 1.00 0.62 H new ATOM 0 HB2 GLN B 28 -22.388 -1.201 -10.164 1.00 0.72 H new ATOM 0 HB3 GLN B 28 -20.654 -1.148 -9.911 1.00 0.72 H new ATOM 0 HG2 GLN B 28 -20.787 -3.455 -8.909 1.00 1.34 H new ATOM 0 HG3 GLN B 28 -22.488 -3.496 -9.327 1.00 1.34 H new ATOM 0 HE21 GLN B 28 -20.278 -5.222 -10.230 1.00 2.12 H new ATOM 0 HE22 GLN B 28 -20.255 -5.097 -11.992 1.00 2.12 H new ATOM 1601 N ASP B 29 -23.111 -2.407 -6.601 1.00 0.69 N ATOM 1602 CA ASP B 29 -24.297 -2.874 -5.895 1.00 0.84 C ATOM 1603 C ASP B 29 -24.729 -1.854 -4.849 1.00 0.69 C ATOM 1604 O ASP B 29 -25.760 -2.011 -4.189 1.00 0.84 O ATOM 1605 CB ASP B 29 -24.024 -4.238 -5.245 1.00 1.06 C ATOM 1606 CG ASP B 29 -22.573 -4.417 -4.836 1.00 1.87 C ATOM 1607 OD1 ASP B 29 -21.780 -4.887 -5.684 1.00 2.56 O ATOM 1608 OD2 ASP B 29 -22.220 -4.091 -3.684 1.00 2.58 O ATOM 0 H ASP B 29 -22.244 -2.837 -6.279 1.00 0.69 H new ATOM 0 HA ASP B 29 -25.109 -2.991 -6.612 1.00 0.84 H new ATOM 0 HB2 ASP B 29 -24.660 -4.350 -4.367 1.00 1.06 H new ATOM 0 HB3 ASP B 29 -24.300 -5.029 -5.942 1.00 1.06 H new ATOM 1613 N ALA B 30 -23.938 -0.800 -4.721 1.00 0.68 N ATOM 1614 CA ALA B 30 -24.235 0.289 -3.810 1.00 0.53 C ATOM 1615 C ALA B 30 -24.645 1.533 -4.599 1.00 0.54 C ATOM 1616 O ALA B 30 -24.197 1.725 -5.729 1.00 0.64 O ATOM 1617 CB ALA B 30 -23.017 0.579 -2.944 1.00 0.46 C ATOM 0 H ALA B 30 -23.073 -0.678 -5.247 1.00 0.68 H new ATOM 0 HA ALA B 30 -25.064 0.004 -3.163 1.00 0.53 H new ATOM 0 HB1 ALA B 30 -23.243 1.398 -2.261 1.00 0.46 H new ATOM 0 HB2 ALA B 30 -22.758 -0.311 -2.371 1.00 0.46 H new ATOM 0 HB3 ALA B 30 -22.177 0.859 -3.580 1.00 0.46 H new ATOM 1623 N PRO B 31 -25.527 2.374 -4.022 1.00 0.53 N ATOM 1624 CA PRO B 31 -25.968 3.624 -4.651 1.00 0.63 C ATOM 1625 C PRO B 31 -24.800 4.492 -5.113 1.00 0.53 C ATOM 1626 O PRO B 31 -23.752 4.520 -4.473 1.00 0.45 O ATOM 1627 CB PRO B 31 -26.754 4.352 -3.561 1.00 0.71 C ATOM 1628 CG PRO B 31 -27.042 3.356 -2.490 1.00 0.62 C ATOM 1629 CD PRO B 31 -26.181 2.143 -2.727 1.00 0.51 C ATOM 0 HA PRO B 31 -26.556 3.418 -5.546 1.00 0.63 H new ATOM 0 HB2 PRO B 31 -26.179 5.189 -3.165 1.00 0.71 H new ATOM 0 HB3 PRO B 31 -27.680 4.764 -3.963 1.00 0.71 H new ATOM 0 HG2 PRO B 31 -26.834 3.783 -1.509 1.00 0.62 H new ATOM 0 HG3 PRO B 31 -28.097 3.081 -2.501 1.00 0.62 H new ATOM 0 HD2 PRO B 31 -25.445 2.022 -1.932 1.00 0.51 H new ATOM 0 HD3 PRO B 31 -26.781 1.233 -2.747 1.00 0.51 H new ATOM 1637 N ASN B 32 -25.012 5.207 -6.212 1.00 0.61 N ATOM 1638 CA ASN B 32 -23.949 5.925 -6.925 1.00 0.62 C ATOM 1639 C ASN B 32 -23.040 6.742 -6.004 1.00 0.59 C ATOM 1640 O ASN B 32 -21.826 6.694 -6.150 1.00 0.63 O ATOM 1641 CB ASN B 32 -24.555 6.842 -7.985 1.00 0.73 C ATOM 1642 CG ASN B 32 -23.511 7.429 -8.911 1.00 1.57 C ATOM 1643 OD1 ASN B 32 -22.499 6.795 -9.203 1.00 2.37 O ATOM 1644 ND2 ASN B 32 -23.744 8.647 -9.366 1.00 2.04 N ATOM 0 H ASN B 32 -25.932 5.309 -6.641 1.00 0.61 H new ATOM 0 HA ASN B 32 -23.325 5.162 -7.390 1.00 0.62 H new ATOM 0 HB2 ASN B 32 -25.283 6.282 -8.572 1.00 0.73 H new ATOM 0 HB3 ASN B 32 -25.096 7.651 -7.494 1.00 0.73 H new ATOM 0 HD21 ASN B 32 -23.070 9.098 -9.985 1.00 2.04 H new ATOM 0 HD22 ASN B 32 -24.598 9.137 -9.098 1.00 2.04 H new ATOM 1651 N ASN B 33 -23.595 7.472 -5.052 1.00 0.60 N ATOM 1652 CA ASN B 33 -22.761 8.344 -4.228 1.00 0.61 C ATOM 1653 C ASN B 33 -21.977 7.558 -3.181 1.00 0.53 C ATOM 1654 O ASN B 33 -20.831 7.892 -2.892 1.00 0.50 O ATOM 1655 CB ASN B 33 -23.567 9.437 -3.534 1.00 0.72 C ATOM 1656 CG ASN B 33 -24.183 10.445 -4.485 1.00 1.57 C ATOM 1657 OD1 ASN B 33 -24.502 10.140 -5.636 1.00 2.34 O ATOM 1658 ND2 ASN B 33 -24.354 11.663 -3.999 1.00 2.16 N ATOM 0 H ASN B 33 -24.591 7.484 -4.830 1.00 0.60 H new ATOM 0 HA ASN B 33 -22.061 8.816 -4.918 1.00 0.61 H new ATOM 0 HB2 ASN B 33 -24.361 8.973 -2.948 1.00 0.72 H new ATOM 0 HB3 ASN B 33 -22.919 9.963 -2.833 1.00 0.72 H new ATOM 0 HD21 ASN B 33 -24.764 12.392 -4.583 1.00 2.16 H new ATOM 0 HD22 ASN B 33 -24.076 11.873 -3.040 1.00 2.16 H new ATOM 1665 N VAL B 34 -22.578 6.520 -2.609 1.00 0.50 N ATOM 1666 CA VAL B 34 -21.872 5.717 -1.610 1.00 0.50 C ATOM 1667 C VAL B 34 -20.819 4.850 -2.292 1.00 0.43 C ATOM 1668 O VAL B 34 -19.726 4.644 -1.767 1.00 0.44 O ATOM 1669 CB VAL B 34 -22.807 4.863 -0.725 1.00 0.61 C ATOM 1670 CG1 VAL B 34 -23.857 5.740 -0.069 1.00 1.42 C ATOM 1671 CG2 VAL B 34 -23.461 3.747 -1.506 1.00 0.59 C ATOM 0 H VAL B 34 -23.531 6.217 -2.812 1.00 0.50 H new ATOM 0 HA VAL B 34 -21.387 6.417 -0.929 1.00 0.50 H new ATOM 0 HB VAL B 34 -22.195 4.401 0.049 1.00 0.61 H new ATOM 0 HG11 VAL B 34 -24.509 5.125 0.552 1.00 1.42 H new ATOM 0 HG12 VAL B 34 -23.368 6.491 0.552 1.00 1.42 H new ATOM 0 HG13 VAL B 34 -24.450 6.235 -0.838 1.00 1.42 H new ATOM 0 HG21 VAL B 34 -24.110 3.172 -0.845 1.00 0.59 H new ATOM 0 HG22 VAL B 34 -24.053 4.169 -2.318 1.00 0.59 H new ATOM 0 HG23 VAL B 34 -22.693 3.093 -1.919 1.00 0.59 H new ATOM 1681 N ARG B 35 -21.145 4.359 -3.482 1.00 0.43 N ATOM 1682 CA ARG B 35 -20.168 3.666 -4.301 1.00 0.44 C ATOM 1683 C ARG B 35 -19.108 4.657 -4.765 1.00 0.39 C ATOM 1684 O ARG B 35 -17.975 4.284 -5.023 1.00 0.42 O ATOM 1685 CB ARG B 35 -20.819 2.933 -5.479 1.00 0.51 C ATOM 1686 CG ARG B 35 -21.546 3.815 -6.464 1.00 0.52 C ATOM 1687 CD ARG B 35 -22.096 3.025 -7.641 1.00 0.59 C ATOM 1688 NE ARG B 35 -21.045 2.561 -8.548 1.00 1.08 N ATOM 1689 CZ ARG B 35 -20.897 3.008 -9.797 1.00 1.34 C ATOM 1690 NH1 ARG B 35 -21.685 3.971 -10.260 1.00 1.49 N ATOM 1691 NH2 ARG B 35 -19.954 2.503 -10.582 1.00 2.15 N ATOM 0 H ARG B 35 -22.074 4.429 -3.896 1.00 0.43 H new ATOM 0 HA ARG B 35 -19.690 2.895 -3.697 1.00 0.44 H new ATOM 0 HB2 ARG B 35 -20.047 2.380 -6.013 1.00 0.51 H new ATOM 0 HB3 ARG B 35 -21.522 2.199 -5.085 1.00 0.51 H new ATOM 0 HG2 ARG B 35 -22.364 4.326 -5.957 1.00 0.52 H new ATOM 0 HG3 ARG B 35 -20.867 4.585 -6.830 1.00 0.52 H new ATOM 0 HD2 ARG B 35 -22.654 2.166 -7.268 1.00 0.59 H new ATOM 0 HD3 ARG B 35 -22.800 3.647 -8.194 1.00 0.59 H new ATOM 0 HE ARG B 35 -20.390 1.858 -8.207 1.00 1.08 H new ATOM 0 HH11 ARG B 35 -22.406 4.372 -9.661 1.00 1.49 H new ATOM 0 HH12 ARG B 35 -21.569 4.310 -11.215 1.00 1.49 H new ATOM 0 HH21 ARG B 35 -19.338 1.769 -10.232 1.00 2.15 H new ATOM 0 HH22 ARG B 35 -19.845 2.848 -11.536 1.00 2.15 H new ATOM 1705 N ARG B 36 -19.507 5.919 -4.909 1.00 0.38 N ATOM 1706 CA ARG B 36 -18.567 7.015 -5.146 1.00 0.36 C ATOM 1707 C ARG B 36 -17.634 7.211 -3.956 1.00 0.34 C ATOM 1708 O ARG B 36 -16.515 7.690 -4.112 1.00 0.33 O ATOM 1709 CB ARG B 36 -19.280 8.322 -5.464 1.00 0.41 C ATOM 1710 CG ARG B 36 -19.487 8.578 -6.949 1.00 0.57 C ATOM 1711 CD ARG B 36 -19.413 7.297 -7.773 1.00 0.75 C ATOM 1712 NE ARG B 36 -19.698 7.523 -9.188 1.00 1.40 N ATOM 1713 CZ ARG B 36 -19.012 6.971 -10.189 1.00 2.09 C ATOM 1714 NH1 ARG B 36 -17.940 6.224 -9.939 1.00 2.45 N ATOM 1715 NH2 ARG B 36 -19.393 7.171 -11.442 1.00 2.88 N ATOM 0 H ARG B 36 -20.483 6.210 -4.865 1.00 0.38 H new ATOM 0 HA ARG B 36 -17.975 6.733 -6.017 1.00 0.36 H new ATOM 0 HB2 ARG B 36 -20.251 8.322 -4.969 1.00 0.41 H new ATOM 0 HB3 ARG B 36 -18.706 9.147 -5.042 1.00 0.41 H new ATOM 0 HG2 ARG B 36 -20.457 9.050 -7.102 1.00 0.57 H new ATOM 0 HG3 ARG B 36 -18.732 9.279 -7.303 1.00 0.57 H new ATOM 0 HD2 ARG B 36 -18.419 6.861 -7.671 1.00 0.75 H new ATOM 0 HD3 ARG B 36 -20.122 6.571 -7.375 1.00 0.75 H new ATOM 0 HE ARG B 36 -20.472 8.143 -9.425 1.00 1.40 H new ATOM 0 HH11 ARG B 36 -17.638 6.071 -8.977 1.00 2.45 H new ATOM 0 HH12 ARG B 36 -17.420 5.805 -10.710 1.00 2.45 H new ATOM 0 HH21 ARG B 36 -20.211 7.747 -11.641 1.00 2.88 H new ATOM 0 HH22 ARG B 36 -18.868 6.749 -12.208 1.00 2.88 H new ATOM 1729 N ASP B 37 -18.106 6.917 -2.759 1.00 0.34 N ATOM 1730 CA ASP B 37 -17.212 6.891 -1.613 1.00 0.34 C ATOM 1731 C ASP B 37 -16.153 5.812 -1.823 1.00 0.28 C ATOM 1732 O ASP B 37 -14.989 5.996 -1.472 1.00 0.29 O ATOM 1733 CB ASP B 37 -17.971 6.688 -0.300 1.00 0.38 C ATOM 1734 CG ASP B 37 -18.616 7.973 0.186 1.00 0.75 C ATOM 1735 OD1 ASP B 37 -17.899 8.994 0.294 1.00 1.39 O ATOM 1736 OD2 ASP B 37 -19.833 7.977 0.464 1.00 1.47 O ATOM 0 H ASP B 37 -19.081 6.697 -2.555 1.00 0.34 H new ATOM 0 HA ASP B 37 -16.720 7.860 -1.533 1.00 0.34 H new ATOM 0 HB2 ASP B 37 -18.738 5.926 -0.438 1.00 0.38 H new ATOM 0 HB3 ASP B 37 -17.286 6.315 0.461 1.00 0.38 H new ATOM 1741 N LEU B 38 -16.548 4.700 -2.446 1.00 0.26 N ATOM 1742 CA LEU B 38 -15.574 3.707 -2.905 1.00 0.24 C ATOM 1743 C LEU B 38 -14.796 4.246 -4.105 1.00 0.23 C ATOM 1744 O LEU B 38 -13.679 3.818 -4.367 1.00 0.22 O ATOM 1745 CB LEU B 38 -16.218 2.365 -3.289 1.00 0.33 C ATOM 1746 CG LEU B 38 -16.762 1.512 -2.138 1.00 0.30 C ATOM 1747 CD1 LEU B 38 -15.935 1.684 -0.880 1.00 0.61 C ATOM 1748 CD2 LEU B 38 -18.213 1.834 -1.879 1.00 0.49 C ATOM 0 H LEU B 38 -17.521 4.466 -2.642 1.00 0.26 H new ATOM 0 HA LEU B 38 -14.905 3.523 -2.065 1.00 0.24 H new ATOM 0 HB2 LEU B 38 -17.036 2.565 -3.981 1.00 0.33 H new ATOM 0 HB3 LEU B 38 -15.479 1.775 -3.831 1.00 0.33 H new ATOM 0 HG LEU B 38 -16.690 0.466 -2.435 1.00 0.30 H new ATOM 0 HD11 LEU B 38 -16.349 1.065 -0.085 1.00 0.61 H new ATOM 0 HD12 LEU B 38 -14.906 1.382 -1.077 1.00 0.61 H new ATOM 0 HD13 LEU B 38 -15.953 2.730 -0.573 1.00 0.61 H new ATOM 0 HD21 LEU B 38 -18.581 1.218 -1.058 1.00 0.49 H new ATOM 0 HD22 LEU B 38 -18.310 2.887 -1.615 1.00 0.49 H new ATOM 0 HD23 LEU B 38 -18.797 1.630 -2.776 1.00 0.49 H new ATOM 1760 N ASP B 39 -15.410 5.161 -4.852 1.00 0.25 N ATOM 1761 CA ASP B 39 -14.722 5.852 -5.941 1.00 0.26 C ATOM 1762 C ASP B 39 -13.566 6.667 -5.374 1.00 0.24 C ATOM 1763 O ASP B 39 -12.506 6.766 -5.982 1.00 0.25 O ATOM 1764 CB ASP B 39 -15.674 6.755 -6.730 1.00 0.30 C ATOM 1765 CG ASP B 39 -14.991 7.441 -7.894 1.00 0.82 C ATOM 1766 OD1 ASP B 39 -14.880 6.820 -8.970 1.00 1.53 O ATOM 1767 OD2 ASP B 39 -14.569 8.605 -7.741 1.00 1.50 O ATOM 0 H ASP B 39 -16.382 5.441 -4.723 1.00 0.25 H new ATOM 0 HA ASP B 39 -14.338 5.102 -6.633 1.00 0.26 H new ATOM 0 HB2 ASP B 39 -16.509 6.161 -7.102 1.00 0.30 H new ATOM 0 HB3 ASP B 39 -16.092 7.509 -6.062 1.00 0.30 H new ATOM 1772 N ASN B 40 -13.782 7.227 -4.186 1.00 0.25 N ATOM 1773 CA ASN B 40 -12.719 7.905 -3.451 1.00 0.24 C ATOM 1774 C ASN B 40 -11.616 6.918 -3.111 1.00 0.24 C ATOM 1775 O ASN B 40 -10.437 7.234 -3.208 1.00 0.26 O ATOM 1776 CB ASN B 40 -13.252 8.550 -2.168 1.00 0.26 C ATOM 1777 CG ASN B 40 -13.930 9.883 -2.411 1.00 0.65 C ATOM 1778 OD1 ASN B 40 -13.283 10.930 -2.387 1.00 1.10 O ATOM 1779 ND2 ASN B 40 -15.234 9.863 -2.634 1.00 1.29 N ATOM 0 H ASN B 40 -14.685 7.224 -3.712 1.00 0.25 H new ATOM 0 HA ASN B 40 -12.320 8.695 -4.087 1.00 0.24 H new ATOM 0 HB2 ASN B 40 -13.960 7.870 -1.693 1.00 0.26 H new ATOM 0 HB3 ASN B 40 -12.427 8.690 -1.469 1.00 0.26 H new ATOM 0 HD21 ASN B 40 -15.738 10.736 -2.794 1.00 1.29 H new ATOM 0 HD22 ASN B 40 -15.736 8.975 -2.646 1.00 1.29 H new ATOM 1786 N LEU B 41 -12.012 5.713 -2.711 1.00 0.25 N ATOM 1787 CA LEU B 41 -11.059 4.629 -2.498 1.00 0.28 C ATOM 1788 C LEU B 41 -10.312 4.324 -3.792 1.00 0.30 C ATOM 1789 O LEU B 41 -9.102 4.165 -3.797 1.00 0.37 O ATOM 1790 CB LEU B 41 -11.765 3.367 -1.987 1.00 0.29 C ATOM 1791 CG LEU B 41 -11.920 3.274 -0.466 1.00 0.47 C ATOM 1792 CD1 LEU B 41 -10.558 3.240 0.205 1.00 0.36 C ATOM 1793 CD2 LEU B 41 -12.740 4.433 0.071 1.00 1.04 C ATOM 0 H LEU B 41 -12.984 5.463 -2.528 1.00 0.25 H new ATOM 0 HA LEU B 41 -10.344 4.950 -1.740 1.00 0.28 H new ATOM 0 HB2 LEU B 41 -12.755 3.316 -2.440 1.00 0.29 H new ATOM 0 HB3 LEU B 41 -11.210 2.495 -2.333 1.00 0.29 H new ATOM 0 HG LEU B 41 -12.448 2.348 -0.238 1.00 0.47 H new ATOM 0 HD11 LEU B 41 -10.686 3.174 1.285 1.00 0.36 H new ATOM 0 HD12 LEU B 41 -10.000 2.373 -0.148 1.00 0.36 H new ATOM 0 HD13 LEU B 41 -10.009 4.149 -0.040 1.00 0.36 H new ATOM 0 HD21 LEU B 41 -12.834 4.342 1.153 1.00 1.04 H new ATOM 0 HD22 LEU B 41 -12.244 5.373 -0.172 1.00 1.04 H new ATOM 0 HD23 LEU B 41 -13.731 4.418 -0.382 1.00 1.04 H new ATOM 1805 N HIS B 42 -11.041 4.277 -4.895 1.00 0.27 N ATOM 1806 CA HIS B 42 -10.452 3.946 -6.185 1.00 0.32 C ATOM 1807 C HIS B 42 -9.496 5.017 -6.666 1.00 0.38 C ATOM 1808 O HIS B 42 -8.484 4.709 -7.271 1.00 0.58 O ATOM 1809 CB HIS B 42 -11.529 3.692 -7.233 1.00 0.32 C ATOM 1810 CG HIS B 42 -11.956 2.267 -7.264 1.00 0.33 C ATOM 1811 ND1 HIS B 42 -12.323 1.607 -8.413 1.00 0.40 N ATOM 1812 CD2 HIS B 42 -12.047 1.366 -6.266 1.00 0.33 C ATOM 1813 CE1 HIS B 42 -12.622 0.356 -8.120 1.00 0.44 C ATOM 1814 NE2 HIS B 42 -12.463 0.183 -6.819 1.00 0.39 N ATOM 0 H HIS B 42 -12.043 4.464 -4.924 1.00 0.27 H new ATOM 0 HA HIS B 42 -9.880 3.029 -6.042 1.00 0.32 H new ATOM 0 HB2 HIS B 42 -12.392 4.324 -7.025 1.00 0.32 H new ATOM 0 HB3 HIS B 42 -11.153 3.979 -8.215 1.00 0.32 H new ATOM 0 HD2 HIS B 42 -11.832 1.543 -5.223 1.00 0.33 H new ATOM 0 HE1 HIS B 42 -12.942 -0.398 -8.823 1.00 0.44 H new ATOM 0 HE2 HIS B 42 -12.623 -0.687 -6.311 1.00 0.39 H new ATOM 1823 N ALA B 43 -9.812 6.271 -6.418 1.00 0.33 N ATOM 1824 CA ALA B 43 -8.919 7.335 -6.818 1.00 0.37 C ATOM 1825 C ALA B 43 -7.760 7.488 -5.837 1.00 0.38 C ATOM 1826 O ALA B 43 -6.600 7.451 -6.234 1.00 0.39 O ATOM 1827 CB ALA B 43 -9.681 8.642 -6.950 1.00 0.42 C ATOM 0 H ALA B 43 -10.666 6.574 -5.949 1.00 0.33 H new ATOM 0 HA ALA B 43 -8.499 7.073 -7.789 1.00 0.37 H new ATOM 0 HB1 ALA B 43 -8.996 9.434 -7.252 1.00 0.42 H new ATOM 0 HB2 ALA B 43 -10.463 8.533 -7.702 1.00 0.42 H new ATOM 0 HB3 ALA B 43 -10.132 8.898 -5.992 1.00 0.42 H new ATOM 1833 N CYS B 44 -8.078 7.626 -4.555 1.00 0.38 N ATOM 1834 CA CYS B 44 -7.070 7.917 -3.539 1.00 0.40 C ATOM 1835 C CYS B 44 -6.223 6.708 -3.142 1.00 0.35 C ATOM 1836 O CYS B 44 -5.043 6.863 -2.855 1.00 0.35 O ATOM 1837 CB CYS B 44 -7.698 8.541 -2.303 1.00 0.46 C ATOM 1838 SG CYS B 44 -8.660 10.033 -2.643 1.00 1.64 S ATOM 0 H CYS B 44 -9.028 7.541 -4.193 1.00 0.38 H new ATOM 0 HA CYS B 44 -6.392 8.633 -4.004 1.00 0.40 H new ATOM 0 HB2 CYS B 44 -8.344 7.805 -1.825 1.00 0.46 H new ATOM 0 HB3 CYS B 44 -6.910 8.783 -1.590 1.00 0.46 H new ATOM 0 HG CYS B 44 -9.157 10.491 -1.533 1.00 1.64 H new ATOM 1844 N LEU B 45 -6.802 5.515 -3.087 1.00 0.32 N ATOM 1845 CA LEU B 45 -6.022 4.338 -2.696 1.00 0.29 C ATOM 1846 C LEU B 45 -5.148 3.909 -3.862 1.00 0.28 C ATOM 1847 O LEU B 45 -4.000 3.511 -3.684 1.00 0.32 O ATOM 1848 CB LEU B 45 -6.922 3.182 -2.247 1.00 0.27 C ATOM 1849 CG LEU B 45 -6.481 2.466 -0.967 1.00 0.80 C ATOM 1850 CD1 LEU B 45 -5.074 1.905 -1.109 1.00 0.66 C ATOM 1851 CD2 LEU B 45 -6.560 3.413 0.219 1.00 1.77 C ATOM 0 H LEU B 45 -7.783 5.334 -3.301 1.00 0.32 H new ATOM 0 HA LEU B 45 -5.397 4.606 -1.844 1.00 0.29 H new ATOM 0 HB2 LEU B 45 -7.931 3.566 -2.099 1.00 0.27 H new ATOM 0 HB3 LEU B 45 -6.974 2.450 -3.053 1.00 0.27 H new ATOM 0 HG LEU B 45 -7.159 1.630 -0.795 1.00 0.80 H new ATOM 0 HD11 LEU B 45 -4.788 1.402 -0.185 1.00 0.66 H new ATOM 0 HD12 LEU B 45 -5.048 1.192 -1.933 1.00 0.66 H new ATOM 0 HD13 LEU B 45 -4.377 2.718 -1.311 1.00 0.66 H new ATOM 0 HD21 LEU B 45 -6.244 2.892 1.123 1.00 1.77 H new ATOM 0 HD22 LEU B 45 -5.907 4.268 0.046 1.00 1.77 H new ATOM 0 HD23 LEU B 45 -7.586 3.759 0.340 1.00 1.77 H new ATOM 1863 N ASN B 46 -5.695 4.021 -5.061 1.00 0.28 N ATOM 1864 CA ASN B 46 -4.922 3.809 -6.275 1.00 0.33 C ATOM 1865 C ASN B 46 -3.888 4.925 -6.424 1.00 0.36 C ATOM 1866 O ASN B 46 -2.835 4.748 -7.041 1.00 0.47 O ATOM 1867 CB ASN B 46 -5.866 3.726 -7.483 1.00 0.35 C ATOM 1868 CG ASN B 46 -5.198 4.061 -8.807 1.00 0.45 C ATOM 1869 OD1 ASN B 46 -4.581 3.203 -9.438 1.00 1.14 O ATOM 1870 ND2 ASN B 46 -5.339 5.303 -9.248 1.00 0.98 N ATOM 0 H ASN B 46 -6.674 4.258 -5.221 1.00 0.28 H new ATOM 0 HA ASN B 46 -4.382 2.864 -6.218 1.00 0.33 H new ATOM 0 HB2 ASN B 46 -6.280 2.719 -7.540 1.00 0.35 H new ATOM 0 HB3 ASN B 46 -6.703 4.407 -7.326 1.00 0.35 H new ATOM 0 HD21 ASN B 46 -4.928 5.577 -10.141 1.00 0.98 H new ATOM 0 HD22 ASN B 46 -5.858 5.985 -8.695 1.00 0.98 H new ATOM 1877 N LYS B 47 -4.167 6.051 -5.774 1.00 0.35 N ATOM 1878 CA LYS B 47 -3.253 7.182 -5.739 1.00 0.37 C ATOM 1879 C LYS B 47 -2.123 6.852 -4.781 1.00 0.36 C ATOM 1880 O LYS B 47 -0.956 7.083 -5.065 1.00 0.35 O ATOM 1881 CB LYS B 47 -3.998 8.420 -5.238 1.00 0.44 C ATOM 1882 CG LYS B 47 -3.276 9.740 -5.425 1.00 0.92 C ATOM 1883 CD LYS B 47 -4.039 10.873 -4.753 1.00 0.81 C ATOM 1884 CE LYS B 47 -3.934 10.803 -3.235 1.00 1.08 C ATOM 1885 NZ LYS B 47 -2.658 11.383 -2.739 1.00 1.51 N ATOM 0 H LYS B 47 -5.034 6.202 -5.258 1.00 0.35 H new ATOM 0 HA LYS B 47 -2.858 7.380 -6.735 1.00 0.37 H new ATOM 0 HB2 LYS B 47 -4.958 8.476 -5.750 1.00 0.44 H new ATOM 0 HB3 LYS B 47 -4.210 8.290 -4.177 1.00 0.44 H new ATOM 0 HG2 LYS B 47 -2.272 9.673 -5.006 1.00 0.92 H new ATOM 0 HG3 LYS B 47 -3.164 9.951 -6.488 1.00 0.92 H new ATOM 0 HD2 LYS B 47 -3.650 11.830 -5.101 1.00 0.81 H new ATOM 0 HD3 LYS B 47 -5.088 10.830 -5.047 1.00 0.81 H new ATOM 0 HE2 LYS B 47 -4.773 11.337 -2.788 1.00 1.08 H new ATOM 0 HE3 LYS B 47 -4.010 9.764 -2.914 1.00 1.08 H new ATOM 0 HZ1 LYS B 47 -2.626 11.316 -1.702 1.00 1.51 H new ATOM 0 HZ2 LYS B 47 -1.857 10.858 -3.145 1.00 1.51 H new ATOM 0 HZ3 LYS B 47 -2.597 12.382 -3.023 1.00 1.51 H new ATOM 1899 N ALA B 48 -2.505 6.292 -3.637 1.00 0.40 N ATOM 1900 CA ALA B 48 -1.565 5.868 -2.615 1.00 0.41 C ATOM 1901 C ALA B 48 -0.664 4.766 -3.140 1.00 0.38 C ATOM 1902 O ALA B 48 0.514 4.705 -2.793 1.00 0.37 O ATOM 1903 CB ALA B 48 -2.308 5.400 -1.374 1.00 0.49 C ATOM 0 H ALA B 48 -3.481 6.121 -3.396 1.00 0.40 H new ATOM 0 HA ALA B 48 -0.942 6.721 -2.346 1.00 0.41 H new ATOM 0 HB1 ALA B 48 -1.590 5.085 -0.617 1.00 0.49 H new ATOM 0 HB2 ALA B 48 -2.913 6.218 -0.982 1.00 0.49 H new ATOM 0 HB3 ALA B 48 -2.954 4.561 -1.632 1.00 0.49 H new ATOM 1909 N LYS B 49 -1.203 3.916 -4.007 1.00 0.39 N ATOM 1910 CA LYS B 49 -0.395 2.889 -4.639 1.00 0.40 C ATOM 1911 C LYS B 49 0.702 3.555 -5.427 1.00 0.44 C ATOM 1912 O LYS B 49 1.862 3.172 -5.362 1.00 0.53 O ATOM 1913 CB LYS B 49 -1.206 2.041 -5.616 1.00 0.38 C ATOM 1914 CG LYS B 49 -2.141 1.036 -4.984 1.00 0.32 C ATOM 1915 CD LYS B 49 -2.564 0.006 -6.010 1.00 0.31 C ATOM 1916 CE LYS B 49 -3.378 0.629 -7.133 1.00 0.35 C ATOM 1917 NZ LYS B 49 -3.505 -0.284 -8.301 1.00 0.93 N ATOM 0 H LYS B 49 -2.185 3.920 -4.284 1.00 0.39 H new ATOM 0 HA LYS B 49 -0.006 2.245 -3.850 1.00 0.40 H new ATOM 0 HB2 LYS B 49 -1.791 2.708 -6.249 1.00 0.38 H new ATOM 0 HB3 LYS B 49 -0.514 1.508 -6.268 1.00 0.38 H new ATOM 0 HG2 LYS B 49 -1.647 0.545 -4.146 1.00 0.32 H new ATOM 0 HG3 LYS B 49 -3.018 1.544 -4.584 1.00 0.32 H new ATOM 0 HD2 LYS B 49 -1.680 -0.477 -6.426 1.00 0.31 H new ATOM 0 HD3 LYS B 49 -3.152 -0.772 -5.523 1.00 0.31 H new ATOM 0 HE2 LYS B 49 -4.371 0.884 -6.763 1.00 0.35 H new ATOM 0 HE3 LYS B 49 -2.907 1.559 -7.450 1.00 0.35 H new ATOM 0 HZ1 LYS B 49 -4.067 0.179 -9.044 1.00 0.93 H new ATOM 0 HZ2 LYS B 49 -2.559 -0.508 -8.671 1.00 0.93 H new ATOM 0 HZ3 LYS B 49 -3.978 -1.162 -8.006 1.00 0.93 H new ATOM 1931 N LEU B 50 0.301 4.564 -6.173 1.00 0.40 N ATOM 1932 CA LEU B 50 1.187 5.243 -7.084 1.00 0.45 C ATOM 1933 C LEU B 50 2.148 6.192 -6.373 1.00 0.39 C ATOM 1934 O LEU B 50 3.249 6.429 -6.865 1.00 0.41 O ATOM 1935 CB LEU B 50 0.372 5.944 -8.156 1.00 0.54 C ATOM 1936 CG LEU B 50 0.826 5.640 -9.581 1.00 1.03 C ATOM 1937 CD1 LEU B 50 0.986 4.142 -9.788 1.00 2.10 C ATOM 1938 CD2 LEU B 50 -0.173 6.180 -10.570 1.00 0.71 C ATOM 0 H LEU B 50 -0.650 4.933 -6.162 1.00 0.40 H new ATOM 0 HA LEU B 50 1.823 4.497 -7.561 1.00 0.45 H new ATOM 0 HB2 LEU B 50 -0.674 5.655 -8.050 1.00 0.54 H new ATOM 0 HB3 LEU B 50 0.424 7.020 -7.991 1.00 0.54 H new ATOM 0 HG LEU B 50 1.791 6.122 -9.740 1.00 1.03 H new ATOM 0 HD11 LEU B 50 1.310 3.949 -10.811 1.00 2.10 H new ATOM 0 HD12 LEU B 50 1.731 3.756 -9.092 1.00 2.10 H new ATOM 0 HD13 LEU B 50 0.032 3.646 -9.610 1.00 2.10 H new ATOM 0 HD21 LEU B 50 0.161 5.957 -11.583 1.00 0.71 H new ATOM 0 HD22 LEU B 50 -1.144 5.715 -10.398 1.00 0.71 H new ATOM 0 HD23 LEU B 50 -0.261 7.259 -10.446 1.00 0.71 H new ATOM 1950 N THR B 51 1.752 6.747 -5.231 1.00 0.36 N ATOM 1951 CA THR B 51 2.699 7.505 -4.418 1.00 0.36 C ATOM 1952 C THR B 51 3.843 6.587 -4.018 1.00 0.33 C ATOM 1953 O THR B 51 5.001 6.994 -3.950 1.00 0.35 O ATOM 1954 CB THR B 51 2.055 8.118 -3.151 1.00 0.39 C ATOM 1955 OG1 THR B 51 1.515 7.102 -2.296 1.00 0.46 O ATOM 1956 CG2 THR B 51 0.956 9.089 -3.525 1.00 0.42 C ATOM 0 H THR B 51 0.806 6.689 -4.854 1.00 0.36 H new ATOM 0 HA THR B 51 3.057 8.340 -5.021 1.00 0.36 H new ATOM 0 HB THR B 51 2.841 8.648 -2.614 1.00 0.39 H new ATOM 0 HG1 THR B 51 1.368 6.283 -2.814 1.00 0.46 H new ATOM 0 HG21 THR B 51 0.517 9.508 -2.620 1.00 0.42 H new ATOM 0 HG22 THR B 51 1.372 9.893 -4.132 1.00 0.42 H new ATOM 0 HG23 THR B 51 0.186 8.566 -4.093 1.00 0.42 H new ATOM 1964 N VAL B 52 3.493 5.328 -3.791 1.00 0.30 N ATOM 1965 CA VAL B 52 4.467 4.290 -3.526 1.00 0.28 C ATOM 1966 C VAL B 52 5.171 3.912 -4.824 1.00 0.28 C ATOM 1967 O VAL B 52 6.369 3.625 -4.833 1.00 0.29 O ATOM 1968 CB VAL B 52 3.785 3.059 -2.881 1.00 0.29 C ATOM 1969 CG1 VAL B 52 4.774 1.945 -2.606 1.00 0.31 C ATOM 1970 CG2 VAL B 52 3.077 3.455 -1.596 1.00 0.33 C ATOM 0 H VAL B 52 2.526 5.003 -3.786 1.00 0.30 H new ATOM 0 HA VAL B 52 5.210 4.662 -2.821 1.00 0.28 H new ATOM 0 HB VAL B 52 3.051 2.684 -3.595 1.00 0.29 H new ATOM 0 HG11 VAL B 52 4.254 1.100 -2.154 1.00 0.31 H new ATOM 0 HG12 VAL B 52 5.235 1.628 -3.542 1.00 0.31 H new ATOM 0 HG13 VAL B 52 5.546 2.303 -1.925 1.00 0.31 H new ATOM 0 HG21 VAL B 52 2.603 2.577 -1.156 1.00 0.33 H new ATOM 0 HG22 VAL B 52 3.802 3.867 -0.893 1.00 0.33 H new ATOM 0 HG23 VAL B 52 2.318 4.206 -1.815 1.00 0.33 H new ATOM 1980 N GLY B 53 4.413 3.948 -5.921 1.00 0.35 N ATOM 1981 CA GLY B 53 4.962 3.698 -7.232 1.00 0.43 C ATOM 1982 C GLY B 53 6.130 4.607 -7.512 1.00 0.39 C ATOM 1983 O GLY B 53 7.204 4.163 -7.921 1.00 0.39 O ATOM 0 H GLY B 53 3.413 4.150 -5.915 1.00 0.35 H new ATOM 0 HA2 GLY B 53 5.281 2.658 -7.304 1.00 0.43 H new ATOM 0 HA3 GLY B 53 4.191 3.848 -7.988 1.00 0.43 H new ATOM 1987 N ARG B 54 5.925 5.887 -7.251 1.00 0.39 N ATOM 1988 CA ARG B 54 6.959 6.872 -7.460 1.00 0.38 C ATOM 1989 C ARG B 54 7.969 6.923 -6.331 1.00 0.30 C ATOM 1990 O ARG B 54 9.098 7.347 -6.546 1.00 0.29 O ATOM 1991 CB ARG B 54 6.376 8.249 -7.755 1.00 0.50 C ATOM 1992 CG ARG B 54 5.844 8.347 -9.173 1.00 1.18 C ATOM 1993 CD ARG B 54 4.432 7.810 -9.302 1.00 1.37 C ATOM 1994 NE ARG B 54 4.264 7.030 -10.528 1.00 1.71 N ATOM 1995 CZ ARG B 54 3.291 7.227 -11.415 1.00 2.21 C ATOM 1996 NH1 ARG B 54 2.431 8.226 -11.262 1.00 2.36 N ATOM 1997 NH2 ARG B 54 3.185 6.419 -12.464 1.00 2.84 N ATOM 0 H ARG B 54 5.047 6.264 -6.893 1.00 0.39 H new ATOM 0 HA ARG B 54 7.508 6.549 -8.344 1.00 0.38 H new ATOM 0 HB2 ARG B 54 5.572 8.461 -7.050 1.00 0.50 H new ATOM 0 HB3 ARG B 54 7.143 9.008 -7.602 1.00 0.50 H new ATOM 0 HG2 ARG B 54 5.864 9.389 -9.494 1.00 1.18 H new ATOM 0 HG3 ARG B 54 6.502 7.794 -9.843 1.00 1.18 H new ATOM 0 HD2 ARG B 54 4.198 7.187 -8.439 1.00 1.37 H new ATOM 0 HD3 ARG B 54 3.725 8.639 -9.298 1.00 1.37 H new ATOM 0 HE ARG B 54 4.936 6.286 -10.716 1.00 1.71 H new ATOM 0 HH11 ARG B 54 2.512 8.851 -10.460 1.00 2.36 H new ATOM 0 HH12 ARG B 54 1.689 8.369 -11.947 1.00 2.36 H new ATOM 0 HH21 ARG B 54 3.847 5.653 -12.586 1.00 2.84 H new ATOM 0 HH22 ARG B 54 2.442 6.565 -13.147 1.00 2.84 H new ATOM 2011 N MET B 55 7.586 6.498 -5.136 1.00 0.30 N ATOM 2012 CA MET B 55 8.541 6.452 -4.038 1.00 0.29 C ATOM 2013 C MET B 55 9.611 5.410 -4.341 1.00 0.25 C ATOM 2014 O MET B 55 10.804 5.652 -4.154 1.00 0.26 O ATOM 2015 CB MET B 55 7.867 6.139 -2.702 1.00 0.31 C ATOM 2016 CG MET B 55 8.801 6.364 -1.528 1.00 0.33 C ATOM 2017 SD MET B 55 9.388 8.069 -1.461 1.00 0.76 S ATOM 2018 CE MET B 55 10.842 7.898 -0.435 1.00 0.39 C ATOM 0 H MET B 55 6.643 6.186 -4.904 1.00 0.30 H new ATOM 0 HA MET B 55 8.995 7.439 -3.947 1.00 0.29 H new ATOM 0 HB2 MET B 55 6.982 6.765 -2.587 1.00 0.31 H new ATOM 0 HB3 MET B 55 7.527 5.103 -2.701 1.00 0.31 H new ATOM 0 HG2 MET B 55 8.284 6.120 -0.600 1.00 0.33 H new ATOM 0 HG3 MET B 55 9.653 5.688 -1.606 1.00 0.33 H new ATOM 0 HE1 MET B 55 11.148 8.879 -0.071 1.00 0.39 H new ATOM 0 HE2 MET B 55 10.615 7.251 0.412 1.00 0.39 H new ATOM 0 HE3 MET B 55 11.651 7.460 -1.020 1.00 0.39 H new ATOM 2028 N VAL B 56 9.169 4.260 -4.838 1.00 0.25 N ATOM 2029 CA VAL B 56 10.082 3.222 -5.295 1.00 0.25 C ATOM 2030 C VAL B 56 10.913 3.740 -6.465 1.00 0.23 C ATOM 2031 O VAL B 56 12.102 3.449 -6.571 1.00 0.23 O ATOM 2032 CB VAL B 56 9.323 1.941 -5.715 1.00 0.31 C ATOM 2033 CG1 VAL B 56 10.275 0.900 -6.286 1.00 0.35 C ATOM 2034 CG2 VAL B 56 8.557 1.366 -4.533 1.00 0.34 C ATOM 0 H VAL B 56 8.181 4.024 -4.934 1.00 0.25 H new ATOM 0 HA VAL B 56 10.739 2.965 -4.464 1.00 0.25 H new ATOM 0 HB VAL B 56 8.612 2.212 -6.496 1.00 0.31 H new ATOM 0 HG11 VAL B 56 9.713 0.011 -6.572 1.00 0.35 H new ATOM 0 HG12 VAL B 56 10.778 1.309 -7.162 1.00 0.35 H new ATOM 0 HG13 VAL B 56 11.017 0.633 -5.533 1.00 0.35 H new ATOM 0 HG21 VAL B 56 8.029 0.465 -4.845 1.00 0.34 H new ATOM 0 HG22 VAL B 56 9.255 1.118 -3.733 1.00 0.34 H new ATOM 0 HG23 VAL B 56 7.838 2.102 -4.173 1.00 0.34 H new ATOM 2044 N THR B 57 10.279 4.527 -7.330 1.00 0.24 N ATOM 2045 CA THR B 57 10.968 5.126 -8.466 1.00 0.27 C ATOM 2046 C THR B 57 12.089 6.057 -7.997 1.00 0.26 C ATOM 2047 O THR B 57 13.223 5.931 -8.445 1.00 0.30 O ATOM 2048 CB THR B 57 9.997 5.911 -9.370 1.00 0.34 C ATOM 2049 OG1 THR B 57 8.899 5.074 -9.765 1.00 0.37 O ATOM 2050 CG2 THR B 57 10.709 6.429 -10.612 1.00 0.43 C ATOM 0 H THR B 57 9.289 4.764 -7.265 1.00 0.24 H new ATOM 0 HA THR B 57 11.397 4.308 -9.044 1.00 0.27 H new ATOM 0 HB THR B 57 9.621 6.761 -8.800 1.00 0.34 H new ATOM 0 HG1 THR B 57 8.404 4.786 -8.969 1.00 0.37 H new ATOM 0 HG21 THR B 57 10.003 6.979 -11.233 1.00 0.43 H new ATOM 0 HG22 THR B 57 11.523 7.090 -10.315 1.00 0.43 H new ATOM 0 HG23 THR B 57 11.112 5.589 -11.178 1.00 0.43 H new ATOM 2058 N SER B 58 11.767 6.973 -7.080 1.00 0.31 N ATOM 2059 CA SER B 58 12.747 7.919 -6.545 1.00 0.37 C ATOM 2060 C SER B 58 13.897 7.194 -5.842 1.00 0.30 C ATOM 2061 O SER B 58 15.056 7.600 -5.936 1.00 0.38 O ATOM 2062 CB SER B 58 12.064 8.888 -5.580 1.00 0.49 C ATOM 2063 OG SER B 58 11.026 9.605 -6.233 1.00 1.23 O ATOM 0 H SER B 58 10.830 7.079 -6.692 1.00 0.31 H new ATOM 0 HA SER B 58 13.168 8.479 -7.380 1.00 0.37 H new ATOM 0 HB2 SER B 58 11.654 8.337 -4.734 1.00 0.49 H new ATOM 0 HB3 SER B 58 12.798 9.587 -5.180 1.00 0.49 H new ATOM 0 HG SER B 58 10.280 8.999 -6.423 1.00 1.23 H new ATOM 2069 N LEU B 59 13.567 6.116 -5.145 1.00 0.24 N ATOM 2070 CA LEU B 59 14.568 5.284 -4.491 1.00 0.25 C ATOM 2071 C LEU B 59 15.436 4.602 -5.548 1.00 0.21 C ATOM 2072 O LEU B 59 16.638 4.415 -5.369 1.00 0.27 O ATOM 2073 CB LEU B 59 13.857 4.252 -3.599 1.00 0.37 C ATOM 2074 CG LEU B 59 14.735 3.466 -2.615 1.00 0.37 C ATOM 2075 CD1 LEU B 59 15.463 2.333 -3.314 1.00 1.38 C ATOM 2076 CD2 LEU B 59 15.720 4.398 -1.925 1.00 1.37 C ATOM 0 H LEU B 59 12.607 5.795 -5.017 1.00 0.24 H new ATOM 0 HA LEU B 59 15.218 5.894 -3.864 1.00 0.25 H new ATOM 0 HB2 LEU B 59 13.087 4.770 -3.028 1.00 0.37 H new ATOM 0 HB3 LEU B 59 13.348 3.537 -4.246 1.00 0.37 H new ATOM 0 HG LEU B 59 14.087 3.025 -1.858 1.00 0.37 H new ATOM 0 HD11 LEU B 59 16.077 1.795 -2.592 1.00 1.38 H new ATOM 0 HD12 LEU B 59 14.736 1.650 -3.753 1.00 1.38 H new ATOM 0 HD13 LEU B 59 16.100 2.740 -4.100 1.00 1.38 H new ATOM 0 HD21 LEU B 59 16.336 3.827 -1.230 1.00 1.37 H new ATOM 0 HD22 LEU B 59 16.358 4.870 -2.672 1.00 1.37 H new ATOM 0 HD23 LEU B 59 15.173 5.166 -1.378 1.00 1.37 H new ATOM 2088 N LEU B 60 14.813 4.265 -6.663 1.00 0.19 N ATOM 2089 CA LEU B 60 15.498 3.620 -7.772 1.00 0.24 C ATOM 2090 C LEU B 60 16.253 4.645 -8.619 1.00 0.27 C ATOM 2091 O LEU B 60 16.891 4.297 -9.610 1.00 0.32 O ATOM 2092 CB LEU B 60 14.479 2.865 -8.634 1.00 0.26 C ATOM 2093 CG LEU B 60 14.697 1.353 -8.734 1.00 0.46 C ATOM 2094 CD1 LEU B 60 15.958 1.036 -9.523 1.00 1.29 C ATOM 2095 CD2 LEU B 60 14.769 0.734 -7.347 1.00 0.57 C ATOM 0 H LEU B 60 13.820 4.430 -6.826 1.00 0.19 H new ATOM 0 HA LEU B 60 16.226 2.915 -7.371 1.00 0.24 H new ATOM 0 HB2 LEU B 60 13.483 3.046 -8.231 1.00 0.26 H new ATOM 0 HB3 LEU B 60 14.497 3.285 -9.640 1.00 0.26 H new ATOM 0 HG LEU B 60 13.848 0.922 -9.265 1.00 0.46 H new ATOM 0 HD11 LEU B 60 16.090 -0.045 -9.579 1.00 1.29 H new ATOM 0 HD12 LEU B 60 15.869 1.444 -10.530 1.00 1.29 H new ATOM 0 HD13 LEU B 60 16.820 1.481 -9.026 1.00 1.29 H new ATOM 0 HD21 LEU B 60 14.924 -0.341 -7.436 1.00 0.57 H new ATOM 0 HD22 LEU B 60 15.598 1.176 -6.794 1.00 0.57 H new ATOM 0 HD23 LEU B 60 13.836 0.923 -6.815 1.00 0.57 H new ATOM 2107 N GLU B 61 16.189 5.905 -8.214 1.00 0.27 N ATOM 2108 CA GLU B 61 16.857 6.982 -8.932 1.00 0.33 C ATOM 2109 C GLU B 61 18.198 7.301 -8.280 1.00 0.36 C ATOM 2110 O GLU B 61 18.636 8.453 -8.266 1.00 0.43 O ATOM 2111 CB GLU B 61 15.975 8.233 -8.961 1.00 0.37 C ATOM 2112 CG GLU B 61 14.738 8.101 -9.835 1.00 1.02 C ATOM 2113 CD GLU B 61 15.064 8.031 -11.311 1.00 2.03 C ATOM 2114 OE1 GLU B 61 15.300 6.921 -11.826 1.00 2.79 O ATOM 2115 OE2 GLU B 61 15.086 9.095 -11.967 1.00 2.59 O ATOM 0 H GLU B 61 15.677 6.209 -7.386 1.00 0.27 H new ATOM 0 HA GLU B 61 17.034 6.656 -9.957 1.00 0.33 H new ATOM 0 HB2 GLU B 61 15.664 8.469 -7.943 1.00 0.37 H new ATOM 0 HB3 GLU B 61 16.569 9.075 -9.316 1.00 0.37 H new ATOM 0 HG2 GLU B 61 14.190 7.204 -9.546 1.00 1.02 H new ATOM 0 HG3 GLU B 61 14.079 8.950 -9.654 1.00 1.02 H new ATOM 2122 N LYS B 62 18.838 6.279 -7.724 1.00 0.36 N ATOM 2123 CA LYS B 62 20.151 6.433 -7.117 1.00 0.40 C ATOM 2124 C LYS B 62 20.890 5.098 -7.064 1.00 0.35 C ATOM 2125 O LYS B 62 20.446 4.151 -6.417 1.00 0.30 O ATOM 2126 CB LYS B 62 20.039 7.077 -5.737 1.00 0.48 C ATOM 2127 CG LYS B 62 19.031 6.426 -4.817 1.00 0.51 C ATOM 2128 CD LYS B 62 18.715 7.338 -3.654 1.00 0.76 C ATOM 2129 CE LYS B 62 18.081 8.636 -4.118 1.00 0.83 C ATOM 2130 NZ LYS B 62 18.184 9.702 -3.089 1.00 0.91 N ATOM 0 H LYS B 62 18.465 5.331 -7.682 1.00 0.36 H new ATOM 0 HA LYS B 62 20.741 7.103 -7.742 1.00 0.40 H new ATOM 0 HB2 LYS B 62 21.018 7.051 -5.258 1.00 0.48 H new ATOM 0 HB3 LYS B 62 19.773 8.127 -5.861 1.00 0.48 H new ATOM 0 HG2 LYS B 62 18.118 6.200 -5.369 1.00 0.51 H new ATOM 0 HG3 LYS B 62 19.424 5.479 -4.448 1.00 0.51 H new ATOM 0 HD2 LYS B 62 18.041 6.829 -2.965 1.00 0.76 H new ATOM 0 HD3 LYS B 62 19.630 7.556 -3.103 1.00 0.76 H new ATOM 0 HE2 LYS B 62 18.566 8.969 -5.036 1.00 0.83 H new ATOM 0 HE3 LYS B 62 17.032 8.462 -4.357 1.00 0.83 H new ATOM 0 HZ1 LYS B 62 17.624 10.527 -3.386 1.00 0.91 H new ATOM 0 HZ2 LYS B 62 17.821 9.345 -2.182 1.00 0.91 H new ATOM 0 HZ3 LYS B 62 19.179 9.982 -2.977 1.00 0.91 H new ATOM 2144 N PRO B 63 22.049 5.024 -7.743 1.00 0.46 N ATOM 2145 CA PRO B 63 22.761 3.764 -7.996 1.00 0.48 C ATOM 2146 C PRO B 63 23.336 3.130 -6.734 1.00 0.41 C ATOM 2147 O PRO B 63 23.344 1.908 -6.601 1.00 0.40 O ATOM 2148 CB PRO B 63 23.894 4.167 -8.953 1.00 0.59 C ATOM 2149 CG PRO B 63 23.556 5.542 -9.420 1.00 0.94 C ATOM 2150 CD PRO B 63 22.776 6.169 -8.306 1.00 0.65 C ATOM 0 HA PRO B 63 22.086 3.009 -8.400 1.00 0.48 H new ATOM 0 HB2 PRO B 63 24.859 4.152 -8.446 1.00 0.59 H new ATOM 0 HB3 PRO B 63 23.963 3.474 -9.792 1.00 0.59 H new ATOM 0 HG2 PRO B 63 24.458 6.114 -9.637 1.00 0.94 H new ATOM 0 HG3 PRO B 63 22.970 5.510 -10.339 1.00 0.94 H new ATOM 0 HD2 PRO B 63 23.427 6.638 -7.569 1.00 0.65 H new ATOM 0 HD3 PRO B 63 22.098 6.941 -8.670 1.00 0.65 H new ATOM 2158 N SER B 64 23.808 3.962 -5.816 1.00 0.40 N ATOM 2159 CA SER B 64 24.403 3.477 -4.576 1.00 0.37 C ATOM 2160 C SER B 64 23.387 2.665 -3.779 1.00 0.34 C ATOM 2161 O SER B 64 23.655 1.538 -3.354 1.00 0.38 O ATOM 2162 CB SER B 64 24.902 4.664 -3.749 1.00 0.39 C ATOM 2163 OG SER B 64 23.878 5.637 -3.586 1.00 1.25 O ATOM 0 H SER B 64 23.791 4.978 -5.906 1.00 0.40 H new ATOM 0 HA SER B 64 25.246 2.828 -4.816 1.00 0.37 H new ATOM 0 HB2 SER B 64 25.237 4.316 -2.772 1.00 0.39 H new ATOM 0 HB3 SER B 64 25.764 5.117 -4.239 1.00 0.39 H new ATOM 0 HG SER B 64 24.219 6.385 -3.053 1.00 1.25 H new ATOM 2169 N VAL B 65 22.218 3.256 -3.594 1.00 0.30 N ATOM 2170 CA VAL B 65 21.113 2.612 -2.909 1.00 0.30 C ATOM 2171 C VAL B 65 20.681 1.336 -3.619 1.00 0.29 C ATOM 2172 O VAL B 65 20.578 0.274 -3.001 1.00 0.30 O ATOM 2173 CB VAL B 65 19.921 3.568 -2.817 1.00 0.31 C ATOM 2174 CG1 VAL B 65 18.711 2.879 -2.236 1.00 0.38 C ATOM 2175 CG2 VAL B 65 20.287 4.789 -1.995 1.00 0.33 C ATOM 0 H VAL B 65 22.009 4.201 -3.917 1.00 0.30 H new ATOM 0 HA VAL B 65 21.456 2.349 -1.908 1.00 0.30 H new ATOM 0 HB VAL B 65 19.667 3.890 -3.827 1.00 0.31 H new ATOM 0 HG11 VAL B 65 17.881 3.584 -2.183 1.00 0.38 H new ATOM 0 HG12 VAL B 65 18.432 2.037 -2.870 1.00 0.38 H new ATOM 0 HG13 VAL B 65 18.944 2.518 -1.234 1.00 0.38 H new ATOM 0 HG21 VAL B 65 19.430 5.460 -1.938 1.00 0.33 H new ATOM 0 HG22 VAL B 65 20.572 4.479 -0.990 1.00 0.33 H new ATOM 0 HG23 VAL B 65 21.123 5.307 -2.465 1.00 0.33 H new ATOM 2185 N VAL B 66 20.446 1.446 -4.922 1.00 0.29 N ATOM 2186 CA VAL B 66 20.001 0.311 -5.720 1.00 0.30 C ATOM 2187 C VAL B 66 20.991 -0.842 -5.611 1.00 0.30 C ATOM 2188 O VAL B 66 20.597 -1.985 -5.387 1.00 0.30 O ATOM 2189 CB VAL B 66 19.821 0.700 -7.204 1.00 0.32 C ATOM 2190 CG1 VAL B 66 19.462 -0.513 -8.050 1.00 0.35 C ATOM 2191 CG2 VAL B 66 18.758 1.774 -7.345 1.00 0.34 C ATOM 0 H VAL B 66 20.557 2.313 -5.449 1.00 0.29 H new ATOM 0 HA VAL B 66 19.035 -0.005 -5.327 1.00 0.30 H new ATOM 0 HB VAL B 66 20.770 1.095 -7.565 1.00 0.32 H new ATOM 0 HG11 VAL B 66 19.342 -0.209 -9.090 1.00 0.35 H new ATOM 0 HG12 VAL B 66 20.258 -1.255 -7.979 1.00 0.35 H new ATOM 0 HG13 VAL B 66 18.529 -0.946 -7.688 1.00 0.35 H new ATOM 0 HG21 VAL B 66 18.644 2.037 -8.397 1.00 0.34 H new ATOM 0 HG22 VAL B 66 17.810 1.400 -6.959 1.00 0.34 H new ATOM 0 HG23 VAL B 66 19.056 2.658 -6.781 1.00 0.34 H new ATOM 2201 N ALA B 67 22.275 -0.523 -5.728 1.00 0.33 N ATOM 2202 CA ALA B 67 23.329 -1.530 -5.679 1.00 0.35 C ATOM 2203 C ALA B 67 23.339 -2.269 -4.348 1.00 0.32 C ATOM 2204 O ALA B 67 23.655 -3.452 -4.300 1.00 0.34 O ATOM 2205 CB ALA B 67 24.686 -0.901 -5.932 1.00 0.42 C ATOM 0 H ALA B 67 22.613 0.431 -5.858 1.00 0.33 H new ATOM 0 HA ALA B 67 23.120 -2.254 -6.467 1.00 0.35 H new ATOM 0 HB1 ALA B 67 25.457 -1.670 -5.891 1.00 0.42 H new ATOM 0 HB2 ALA B 67 24.692 -0.433 -6.917 1.00 0.42 H new ATOM 0 HB3 ALA B 67 24.885 -0.147 -5.171 1.00 0.42 H new ATOM 2211 N TYR B 68 23.007 -1.572 -3.268 1.00 0.30 N ATOM 2212 CA TYR B 68 22.941 -2.201 -1.957 1.00 0.30 C ATOM 2213 C TYR B 68 21.755 -3.151 -1.848 1.00 0.30 C ATOM 2214 O TYR B 68 21.837 -4.189 -1.188 1.00 0.33 O ATOM 2215 CB TYR B 68 22.945 -1.166 -0.836 1.00 0.32 C ATOM 2216 CG TYR B 68 24.291 -1.114 -0.146 1.00 0.51 C ATOM 2217 CD1 TYR B 68 24.604 -2.024 0.856 1.00 1.31 C ATOM 2218 CD2 TYR B 68 25.261 -0.189 -0.517 1.00 1.06 C ATOM 2219 CE1 TYR B 68 25.840 -2.016 1.470 1.00 1.54 C ATOM 2220 CE2 TYR B 68 26.502 -0.171 0.099 1.00 1.28 C ATOM 2221 CZ TYR B 68 26.786 -1.089 1.091 1.00 1.19 C ATOM 2222 OH TYR B 68 28.023 -1.091 1.697 1.00 1.55 O ATOM 0 H TYR B 68 22.781 -0.577 -3.275 1.00 0.30 H new ATOM 0 HA TYR B 68 23.843 -2.802 -1.840 1.00 0.30 H new ATOM 0 HB2 TYR B 68 22.703 -0.184 -1.243 1.00 0.32 H new ATOM 0 HB3 TYR B 68 22.170 -1.409 -0.109 1.00 0.32 H new ATOM 0 HD1 TYR B 68 23.866 -2.752 1.160 1.00 1.31 H new ATOM 0 HD2 TYR B 68 25.044 0.526 -1.297 1.00 1.06 H new ATOM 0 HE1 TYR B 68 26.065 -2.734 2.245 1.00 1.54 H new ATOM 0 HE2 TYR B 68 27.243 0.557 -0.195 1.00 1.28 H new ATOM 0 HH TYR B 68 28.575 -0.376 1.316 1.00 1.55 H new ATOM 2232 N LEU B 69 20.657 -2.794 -2.497 1.00 0.28 N ATOM 2233 CA LEU B 69 19.459 -3.628 -2.512 1.00 0.29 C ATOM 2234 C LEU B 69 19.696 -4.938 -3.268 1.00 0.31 C ATOM 2235 O LEU B 69 19.290 -6.011 -2.823 1.00 0.34 O ATOM 2236 CB LEU B 69 18.311 -2.852 -3.145 1.00 0.28 C ATOM 2237 CG LEU B 69 17.955 -1.568 -2.420 1.00 0.30 C ATOM 2238 CD1 LEU B 69 17.104 -0.671 -3.297 1.00 0.30 C ATOM 2239 CD2 LEU B 69 17.244 -1.874 -1.111 1.00 0.33 C ATOM 0 H LEU B 69 20.568 -1.926 -3.025 1.00 0.28 H new ATOM 0 HA LEU B 69 19.205 -3.885 -1.484 1.00 0.29 H new ATOM 0 HB2 LEU B 69 18.573 -2.613 -4.176 1.00 0.28 H new ATOM 0 HB3 LEU B 69 17.430 -3.493 -3.180 1.00 0.28 H new ATOM 0 HG LEU B 69 18.879 -1.037 -2.192 1.00 0.30 H new ATOM 0 HD11 LEU B 69 16.861 0.243 -2.755 1.00 0.30 H new ATOM 0 HD12 LEU B 69 17.654 -0.420 -4.204 1.00 0.30 H new ATOM 0 HD13 LEU B 69 16.183 -1.190 -3.563 1.00 0.30 H new ATOM 0 HD21 LEU B 69 16.996 -0.941 -0.605 1.00 0.33 H new ATOM 0 HD22 LEU B 69 16.329 -2.430 -1.315 1.00 0.33 H new ATOM 0 HD23 LEU B 69 17.896 -2.471 -0.473 1.00 0.33 H new ATOM 2251 N GLU B 70 20.335 -4.856 -4.418 1.00 0.32 N ATOM 2252 CA GLU B 70 20.642 -6.058 -5.183 1.00 0.39 C ATOM 2253 C GLU B 70 21.879 -6.736 -4.650 1.00 0.44 C ATOM 2254 O GLU B 70 22.077 -7.935 -4.827 1.00 0.53 O ATOM 2255 CB GLU B 70 20.836 -5.736 -6.654 1.00 0.44 C ATOM 2256 CG GLU B 70 21.405 -4.358 -6.899 1.00 0.45 C ATOM 2257 CD GLU B 70 21.810 -4.141 -8.339 1.00 0.56 C ATOM 2258 OE1 GLU B 70 21.069 -4.578 -9.245 1.00 1.15 O ATOM 2259 OE2 GLU B 70 22.872 -3.544 -8.579 1.00 1.32 O ATOM 0 H GLU B 70 20.650 -3.984 -4.843 1.00 0.32 H new ATOM 0 HA GLU B 70 19.793 -6.734 -5.079 1.00 0.39 H new ATOM 0 HB2 GLU B 70 21.500 -6.479 -7.096 1.00 0.44 H new ATOM 0 HB3 GLU B 70 19.877 -5.821 -7.166 1.00 0.44 H new ATOM 0 HG2 GLU B 70 20.665 -3.609 -6.617 1.00 0.45 H new ATOM 0 HG3 GLU B 70 22.272 -4.208 -6.256 1.00 0.45 H new ATOM 2266 N GLY B 71 22.711 -5.946 -4.009 1.00 0.44 N ATOM 2267 CA GLY B 71 23.939 -6.440 -3.458 1.00 0.53 C ATOM 2268 C GLY B 71 24.996 -6.641 -4.515 1.00 0.65 C ATOM 2269 O GLY B 71 25.733 -7.627 -4.496 1.00 0.79 O ATOM 0 H GLY B 71 22.551 -4.950 -3.859 1.00 0.44 H new ATOM 0 HA2 GLY B 71 24.306 -5.740 -2.707 1.00 0.53 H new ATOM 0 HA3 GLY B 71 23.753 -7.385 -2.948 1.00 0.53 H new ATOM 2273 N LYS B 72 25.077 -5.693 -5.431 1.00 0.69 N ATOM 2274 CA LYS B 72 25.963 -5.809 -6.574 1.00 0.93 C ATOM 2275 C LYS B 72 26.941 -4.639 -6.601 1.00 1.13 C ATOM 2276 O LYS B 72 27.851 -4.611 -5.746 1.00 1.49 O ATOM 2277 CB LYS B 72 25.131 -5.839 -7.856 1.00 1.21 C ATOM 2278 CG LYS B 72 24.022 -6.884 -7.840 1.00 1.13 C ATOM 2279 CD LYS B 72 24.561 -8.300 -7.970 1.00 1.47 C ATOM 2280 CE LYS B 72 23.431 -9.310 -8.108 1.00 1.99 C ATOM 2281 NZ LYS B 72 22.753 -9.593 -6.815 1.00 2.58 N ATOM 2282 OXT LYS B 72 26.790 -3.747 -7.462 1.00 1.80 O ATOM 0 H LYS B 72 24.536 -4.829 -5.404 1.00 0.69 H new ATOM 0 HA LYS B 72 26.537 -6.733 -6.497 1.00 0.93 H new ATOM 0 HB2 LYS B 72 24.689 -4.855 -8.016 1.00 1.21 H new ATOM 0 HB3 LYS B 72 25.790 -6.034 -8.702 1.00 1.21 H new ATOM 0 HG2 LYS B 72 23.457 -6.797 -6.912 1.00 1.13 H new ATOM 0 HG3 LYS B 72 23.327 -6.686 -8.656 1.00 1.13 H new ATOM 0 HD2 LYS B 72 25.217 -8.364 -8.838 1.00 1.47 H new ATOM 0 HD3 LYS B 72 25.165 -8.543 -7.096 1.00 1.47 H new ATOM 0 HE2 LYS B 72 22.699 -8.934 -8.823 1.00 1.99 H new ATOM 0 HE3 LYS B 72 23.828 -10.239 -8.517 1.00 1.99 H new ATOM 0 HZ1 LYS B 72 21.866 -10.106 -6.993 1.00 2.58 H new ATOM 0 HZ2 LYS B 72 23.375 -10.174 -6.217 1.00 2.58 H new ATOM 0 HZ3 LYS B 72 22.543 -8.697 -6.330 1.00 2.58 H new TER 2296 LYS B 72