USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1018 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 MET CE :methyl -162:sc= -2.95 (180deg=-5.31!) USER MOD Set 1.2: A 88 MET CE :methyl -165:sc= -1.22 (180deg=-1.55) USER MOD Set 2.1: A 51 THR OG1 : rot 138:sc= 1.19 USER MOD Set 2.2: A 97 MET CE :methyl 151:sc= -0.505 (180deg=-2.04!) USER MOD Set 3.1: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 39 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 13 SER OG : rot 48:sc= 1.24 USER MOD Set 4.2: A 32 THR OG1 : rot -169:sc= 1.38 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-3.5!) USER MOD Single : A 4 SER OG : rot 43:sc= 0.0535 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.97 K(o=-0.97,f=-3.1!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.274 USER MOD Single : A 36 LYS NZ :NH3+ 169:sc= -1.89! (180deg=-2.13!) USER MOD Single : A 38 HIS : no HE2:sc= -5.12! C(o=-5.1!,f=-4.1!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2.76! C(o=-2.8!,f=-9.2!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 50:sc= -0.852 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 162:sc= -5.06! (180deg=-5.46!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 78 ASN : amide:sc= -0.441 X(o=-0.44,f=-0.063) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 60:sc= 0.0133 USER MOD Single : A 92 ASN : amide:sc= -0.0115 X(o=-0.011,f=-0.47) USER MOD Single : A 93 ASN : amide:sc= -2 K(o=-2,f=-3!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 99 ASN : amide:sc= -1.97 K(o=-2,f=-0.78) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl -163:sc= -0.225 (180deg=-1.02) USER MOD Single : A 103 THR OG1 : rot -175:sc= 1.1 USER MOD Single : A 105 GLN : amide:sc= -0.355 K(o=-0.35,f=-2.9!) USER MOD Single : A 106 GLN : amide:sc= -0.542 K(o=-0.54,f=-0.026) USER MOD Single : A 109 SER OG : rot -82:sc= -0.625 USER MOD Single : A 111 TYR OH : rot 150:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -13.803 -5.194 10.948 1.00 0.00 N ATOM 2 CA PRO A 1 -12.693 -5.218 9.974 1.00 0.00 C ATOM 3 C PRO A 1 -11.480 -4.434 10.475 1.00 0.00 C ATOM 4 O PRO A 1 -10.836 -3.712 9.714 1.00 0.00 O ATOM 5 CB PRO A 1 -13.234 -4.614 8.682 1.00 0.00 C ATOM 6 CG PRO A 1 -14.536 -3.978 9.074 1.00 0.00 C ATOM 7 CD PRO A 1 -15.032 -4.699 10.312 1.00 0.00 C ATOM 0 H2 PRO A 1 -13.558 -4.597 11.738 1.00 0.00 H new ATOM 0 H3 PRO A 1 -13.958 -6.131 11.319 1.00 0.00 H new ATOM 0 HA PRO A 1 -12.347 -6.240 9.819 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -12.543 -3.879 8.269 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -13.381 -5.378 7.919 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -14.400 -2.916 9.276 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -15.262 -4.058 8.265 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -15.581 -4.028 10.972 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -15.706 -5.516 10.055 1.00 0.00 H new ATOM 17 N SER A 2 -11.174 -4.586 11.759 1.00 0.00 N ATOM 18 CA SER A 2 -10.038 -3.898 12.363 1.00 0.00 C ATOM 19 C SER A 2 -8.722 -4.391 11.773 1.00 0.00 C ATOM 20 O SER A 2 -7.742 -3.651 11.715 1.00 0.00 O ATOM 21 CB SER A 2 -10.040 -4.105 13.879 1.00 0.00 C ATOM 22 OG SER A 2 -11.248 -3.646 14.457 1.00 0.00 O ATOM 0 H SER A 2 -11.697 -5.180 12.402 1.00 0.00 H new ATOM 0 HA SER A 2 -10.134 -2.834 12.146 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.905 -5.163 14.104 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.197 -3.575 14.322 1.00 0.00 H new ATOM 0 HG SER A 2 -11.223 -3.792 15.426 1.00 0.00 H new ATOM 28 N HIS A 3 -8.706 -5.646 11.337 1.00 0.00 N ATOM 29 CA HIS A 3 -7.505 -6.235 10.756 1.00 0.00 C ATOM 30 C HIS A 3 -7.854 -7.133 9.579 1.00 0.00 C ATOM 31 O HIS A 3 -7.206 -8.152 9.342 1.00 0.00 O ATOM 32 CB HIS A 3 -6.743 -7.015 11.822 1.00 0.00 C ATOM 33 CG HIS A 3 -6.233 -6.139 12.920 1.00 0.00 C ATOM 34 ND1 HIS A 3 -7.051 -5.587 13.882 1.00 0.00 N ATOM 35 CD2 HIS A 3 -4.984 -5.699 13.193 1.00 0.00 C ATOM 36 CE1 HIS A 3 -6.328 -4.843 14.697 1.00 0.00 C ATOM 37 NE2 HIS A 3 -5.070 -4.894 14.302 1.00 0.00 N ATOM 0 H HIS A 3 -9.509 -6.274 11.375 1.00 0.00 H new ATOM 0 HA HIS A 3 -6.869 -5.432 10.384 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.396 -7.778 12.245 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.905 -7.534 11.357 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.086 -5.936 12.642 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.702 -4.287 15.544 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -4.289 -4.414 14.748 1.00 0.00 H new ATOM 46 N SER A 4 -8.878 -6.735 8.838 1.00 0.00 N ATOM 47 CA SER A 4 -9.323 -7.481 7.669 1.00 0.00 C ATOM 48 C SER A 4 -10.402 -6.718 6.918 1.00 0.00 C ATOM 49 O SER A 4 -11.489 -6.477 7.444 1.00 0.00 O ATOM 50 CB SER A 4 -9.855 -8.857 8.065 1.00 0.00 C ATOM 51 OG SER A 4 -10.696 -8.775 9.203 1.00 0.00 O ATOM 0 H SER A 4 -9.421 -5.892 9.028 1.00 0.00 H new ATOM 0 HA SER A 4 -8.459 -7.611 7.017 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.408 -9.289 7.231 1.00 0.00 H new ATOM 0 HB3 SER A 4 -9.020 -9.526 8.274 1.00 0.00 H new ATOM 0 HG SER A 4 -11.296 -8.005 9.112 1.00 0.00 H new ATOM 57 N GLY A 5 -10.099 -6.346 5.684 1.00 0.00 N ATOM 58 CA GLY A 5 -11.054 -5.621 4.875 1.00 0.00 C ATOM 59 C GLY A 5 -10.944 -5.963 3.414 1.00 0.00 C ATOM 60 O GLY A 5 -9.906 -5.740 2.790 1.00 0.00 O ATOM 0 H GLY A 5 -9.206 -6.534 5.228 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.063 -5.843 5.222 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.900 -4.550 5.007 1.00 0.00 H new ATOM 64 N ALA A 6 -12.017 -6.521 2.873 1.00 0.00 N ATOM 65 CA ALA A 6 -12.056 -6.916 1.473 1.00 0.00 C ATOM 66 C ALA A 6 -11.399 -5.873 0.575 1.00 0.00 C ATOM 67 O ALA A 6 -11.924 -4.777 0.382 1.00 0.00 O ATOM 68 CB ALA A 6 -13.487 -7.187 1.048 1.00 0.00 C ATOM 0 H ALA A 6 -12.878 -6.711 3.386 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.481 -7.835 1.363 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.505 -7.482 -0.001 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -13.902 -7.990 1.658 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.083 -6.284 1.182 1.00 0.00 H new ATOM 74 N ALA A 7 -10.228 -6.223 0.049 1.00 0.00 N ATOM 75 CA ALA A 7 -9.465 -5.321 -0.811 1.00 0.00 C ATOM 76 C ALA A 7 -9.190 -5.935 -2.182 1.00 0.00 C ATOM 77 O ALA A 7 -9.110 -7.151 -2.323 1.00 0.00 O ATOM 78 CB ALA A 7 -8.148 -4.959 -0.136 1.00 0.00 C ATOM 0 H ALA A 7 -9.785 -7.129 0.204 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.065 -4.424 -0.965 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.582 -4.286 -0.780 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.350 -4.466 0.815 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.569 -5.865 0.041 1.00 0.00 H new ATOM 84 N ILE A 8 -9.023 -5.082 -3.191 1.00 0.00 N ATOM 85 CA ILE A 8 -8.731 -5.549 -4.542 1.00 0.00 C ATOM 86 C ILE A 8 -7.246 -5.423 -4.835 1.00 0.00 C ATOM 87 O ILE A 8 -6.662 -4.348 -4.696 1.00 0.00 O ATOM 88 CB ILE A 8 -9.544 -4.777 -5.612 1.00 0.00 C ATOM 89 CG1 ILE A 8 -10.904 -5.443 -5.806 1.00 0.00 C ATOM 90 CG2 ILE A 8 -8.804 -4.698 -6.943 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.062 -4.568 -5.407 1.00 0.00 C ATOM 0 H ILE A 8 -9.085 -4.068 -3.098 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.025 -6.597 -4.592 1.00 0.00 H new ATOM 0 HB ILE A 8 -9.682 -3.757 -5.254 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.016 -5.725 -6.853 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.936 -6.363 -5.223 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.410 -4.149 -7.664 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.854 -4.184 -6.801 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.619 -5.705 -7.317 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -12.997 -5.104 -5.571 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -11.974 -4.306 -4.353 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.055 -3.659 -6.008 1.00 0.00 H new ATOM 103 N PHE A 9 -6.643 -6.527 -5.239 1.00 0.00 N ATOM 104 CA PHE A 9 -5.216 -6.535 -5.553 1.00 0.00 C ATOM 105 C PHE A 9 -4.982 -6.774 -7.039 1.00 0.00 C ATOM 106 O PHE A 9 -5.542 -7.700 -7.624 1.00 0.00 O ATOM 107 CB PHE A 9 -4.489 -7.598 -4.733 1.00 0.00 C ATOM 108 CG PHE A 9 -3.004 -7.388 -4.668 1.00 0.00 C ATOM 109 CD1 PHE A 9 -2.482 -6.132 -4.396 1.00 0.00 C ATOM 110 CD2 PHE A 9 -2.129 -8.441 -4.885 1.00 0.00 C ATOM 111 CE1 PHE A 9 -1.115 -5.933 -4.338 1.00 0.00 C ATOM 112 CE2 PHE A 9 -0.763 -8.247 -4.829 1.00 0.00 C ATOM 113 CZ PHE A 9 -0.253 -6.992 -4.556 1.00 0.00 C ATOM 0 H PHE A 9 -7.111 -7.426 -5.358 1.00 0.00 H new ATOM 0 HA PHE A 9 -4.815 -5.555 -5.294 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.892 -7.604 -3.720 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.691 -8.579 -5.163 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.151 -5.301 -4.228 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.520 -9.424 -5.100 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.721 -4.951 -4.123 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.093 -9.077 -4.999 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.815 -6.839 -4.513 1.00 0.00 H new ATOM 123 N GLU A 10 -4.149 -5.934 -7.645 1.00 0.00 N ATOM 124 CA GLU A 10 -3.840 -6.056 -9.066 1.00 0.00 C ATOM 125 C GLU A 10 -5.112 -6.036 -9.902 1.00 0.00 C ATOM 126 O GLU A 10 -5.202 -6.717 -10.922 1.00 0.00 O ATOM 127 CB GLU A 10 -3.064 -7.347 -9.328 1.00 0.00 C ATOM 128 CG GLU A 10 -1.816 -7.487 -8.472 1.00 0.00 C ATOM 129 CD GLU A 10 -1.015 -8.731 -8.804 1.00 0.00 C ATOM 130 OE1 GLU A 10 -1.541 -9.601 -9.531 1.00 0.00 O ATOM 131 OE2 GLU A 10 0.138 -8.838 -8.337 1.00 0.00 O ATOM 0 H GLU A 10 -3.676 -5.162 -7.175 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.225 -5.204 -9.355 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.719 -8.199 -9.144 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.780 -7.384 -10.380 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.187 -6.608 -8.608 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.103 -7.514 -7.421 1.00 0.00 H new ATOM 138 N LYS A 11 -6.101 -5.264 -9.451 1.00 0.00 N ATOM 139 CA LYS A 11 -7.379 -5.174 -10.150 1.00 0.00 C ATOM 140 C LYS A 11 -8.216 -6.421 -9.886 1.00 0.00 C ATOM 141 O LYS A 11 -9.332 -6.548 -10.388 1.00 0.00 O ATOM 142 CB LYS A 11 -7.172 -4.986 -11.657 1.00 0.00 C ATOM 143 CG LYS A 11 -6.132 -3.933 -12.003 1.00 0.00 C ATOM 144 CD LYS A 11 -6.070 -3.682 -13.500 1.00 0.00 C ATOM 145 CE LYS A 11 -4.937 -2.733 -13.860 1.00 0.00 C ATOM 146 NZ LYS A 11 -5.374 -1.311 -13.829 1.00 0.00 N ATOM 0 H LYS A 11 -6.040 -4.694 -8.607 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.911 -4.302 -9.769 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.872 -5.938 -12.095 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.122 -4.710 -12.114 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.369 -3.003 -11.487 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.154 -4.255 -11.646 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.933 -4.628 -14.023 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.018 -3.264 -13.839 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.110 -2.874 -13.164 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.562 -2.976 -14.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.574 -0.696 -14.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.146 -1.170 -14.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.708 -1.071 -12.874 1.00 0.00 H new ATOM 160 N VAL A 12 -7.676 -7.333 -9.076 1.00 0.00 N ATOM 161 CA VAL A 12 -8.378 -8.550 -8.729 1.00 0.00 C ATOM 162 C VAL A 12 -9.008 -8.398 -7.367 1.00 0.00 C ATOM 163 O VAL A 12 -8.555 -7.602 -6.545 1.00 0.00 O ATOM 164 CB VAL A 12 -7.451 -9.780 -8.745 1.00 0.00 C ATOM 165 CG1 VAL A 12 -8.109 -10.978 -8.070 1.00 0.00 C ATOM 166 CG2 VAL A 12 -7.092 -10.110 -10.173 1.00 0.00 C ATOM 0 H VAL A 12 -6.753 -7.243 -8.652 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.149 -8.715 -9.481 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.546 -9.546 -8.184 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.429 -11.830 -8.098 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.339 -10.731 -7.034 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.030 -11.231 -8.595 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.436 -10.980 -10.191 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.000 -10.328 -10.735 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.581 -9.260 -10.625 1.00 0.00 H new ATOM 176 N SER A 13 -10.061 -9.141 -7.135 1.00 0.00 N ATOM 177 CA SER A 13 -10.757 -9.048 -5.866 1.00 0.00 C ATOM 178 C SER A 13 -10.306 -10.107 -4.873 1.00 0.00 C ATOM 179 O SER A 13 -9.912 -11.212 -5.244 1.00 0.00 O ATOM 180 CB SER A 13 -12.260 -9.129 -6.073 1.00 0.00 C ATOM 181 OG SER A 13 -12.637 -10.376 -6.630 1.00 0.00 O ATOM 0 H SER A 13 -10.455 -9.811 -7.796 1.00 0.00 H new ATOM 0 HA SER A 13 -10.503 -8.078 -5.439 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.769 -8.986 -5.120 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.583 -8.322 -6.731 1.00 0.00 H new ATOM 0 HG SER A 13 -12.207 -11.101 -6.130 1.00 0.00 H new ATOM 187 N GLY A 14 -10.373 -9.736 -3.604 1.00 0.00 N ATOM 188 CA GLY A 14 -9.980 -10.614 -2.524 1.00 0.00 C ATOM 189 C GLY A 14 -10.057 -9.888 -1.203 1.00 0.00 C ATOM 190 O GLY A 14 -10.419 -8.714 -1.166 1.00 0.00 O ATOM 0 H GLY A 14 -10.701 -8.820 -3.299 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.629 -11.489 -2.504 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -8.965 -10.974 -2.690 1.00 0.00 H new ATOM 194 N ILE A 15 -9.719 -10.559 -0.114 1.00 0.00 N ATOM 195 CA ILE A 15 -9.759 -9.913 1.182 1.00 0.00 C ATOM 196 C ILE A 15 -8.359 -9.625 1.679 1.00 0.00 C ATOM 197 O ILE A 15 -7.437 -10.416 1.486 1.00 0.00 O ATOM 198 CB ILE A 15 -10.538 -10.734 2.242 1.00 0.00 C ATOM 199 CG1 ILE A 15 -12.044 -10.787 1.923 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.337 -10.133 3.633 1.00 0.00 C ATOM 201 CD1 ILE A 15 -12.431 -10.272 0.553 1.00 0.00 C ATOM 0 H ILE A 15 -9.419 -11.534 -0.102 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.297 -8.975 1.042 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.145 -11.750 2.220 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.382 -11.819 2.015 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.579 -10.208 2.676 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.890 -10.720 4.366 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.276 -10.144 3.884 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.701 -9.106 3.642 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -13.511 -10.352 0.426 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.131 -9.229 0.458 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -11.931 -10.864 -0.213 1.00 0.00 H new ATOM 213 N ILE A 16 -8.215 -8.485 2.331 1.00 0.00 N ATOM 214 CA ILE A 16 -6.939 -8.082 2.873 1.00 0.00 C ATOM 215 C ILE A 16 -6.983 -8.236 4.382 1.00 0.00 C ATOM 216 O ILE A 16 -7.803 -7.617 5.054 1.00 0.00 O ATOM 217 CB ILE A 16 -6.606 -6.613 2.487 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.437 -6.566 1.502 1.00 0.00 C ATOM 219 CG2 ILE A 16 -6.297 -5.759 3.705 1.00 0.00 C ATOM 220 CD1 ILE A 16 -5.084 -5.164 1.055 1.00 0.00 C ATOM 0 H ILE A 16 -8.973 -7.822 2.496 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.155 -8.715 2.457 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.494 -6.199 2.009 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.562 -7.023 1.965 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.684 -7.167 0.627 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.070 -4.741 3.388 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.160 -5.748 4.370 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.438 -6.174 4.232 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.247 -5.204 0.358 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.945 -4.711 0.563 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.805 -4.565 1.922 1.00 0.00 H new ATOM 232 N ALA A 17 -6.120 -9.087 4.904 1.00 0.00 N ATOM 233 CA ALA A 17 -6.087 -9.339 6.333 1.00 0.00 C ATOM 234 C ALA A 17 -4.745 -8.945 6.934 1.00 0.00 C ATOM 235 O ALA A 17 -3.692 -9.411 6.500 1.00 0.00 O ATOM 236 CB ALA A 17 -6.409 -10.800 6.605 1.00 0.00 C ATOM 0 H ALA A 17 -5.435 -9.614 4.363 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.845 -8.720 6.814 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.383 -10.984 7.679 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.403 -11.031 6.221 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.672 -11.433 6.110 1.00 0.00 H new ATOM 242 N ILE A 18 -4.801 -8.073 7.932 1.00 0.00 N ATOM 243 CA ILE A 18 -3.605 -7.589 8.601 1.00 0.00 C ATOM 244 C ILE A 18 -3.336 -8.379 9.881 1.00 0.00 C ATOM 245 O ILE A 18 -4.256 -8.694 10.634 1.00 0.00 O ATOM 246 CB ILE A 18 -3.746 -6.081 8.916 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.559 -5.264 7.636 1.00 0.00 C ATOM 248 CG2 ILE A 18 -2.763 -5.631 9.988 1.00 0.00 C ATOM 249 CD1 ILE A 18 -3.795 -3.782 7.822 1.00 0.00 C ATOM 0 H ILE A 18 -5.671 -7.685 8.297 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.756 -7.733 7.933 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.749 -5.911 9.308 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.547 -5.418 7.262 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.241 -5.639 6.873 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.895 -4.566 10.179 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.945 -6.190 10.906 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.744 -5.815 9.647 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.644 -3.268 6.873 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.816 -3.617 8.166 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.095 -3.392 8.561 1.00 0.00 H new ATOM 261 N ASN A 19 -2.069 -8.701 10.114 1.00 0.00 N ATOM 262 CA ASN A 19 -1.679 -9.460 11.296 1.00 0.00 C ATOM 263 C ASN A 19 -0.507 -8.795 12.010 1.00 0.00 C ATOM 264 O ASN A 19 0.600 -8.723 11.474 1.00 0.00 O ATOM 265 CB ASN A 19 -1.308 -10.892 10.912 1.00 0.00 C ATOM 266 CG ASN A 19 -2.499 -11.683 10.409 1.00 0.00 C ATOM 267 OD1 ASN A 19 -3.626 -11.185 10.387 1.00 0.00 O ATOM 268 ND2 ASN A 19 -2.256 -12.923 10.003 1.00 0.00 N ATOM 0 H ASN A 19 -1.294 -8.448 9.500 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.531 -9.483 11.976 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.538 -10.870 10.141 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.879 -11.398 11.777 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.018 -13.504 9.655 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.307 -13.295 10.039 1.00 0.00 H new ATOM 275 N GLU A 20 -0.757 -8.314 13.223 1.00 0.00 N ATOM 276 CA GLU A 20 0.279 -7.662 14.015 1.00 0.00 C ATOM 277 C GLU A 20 0.993 -8.663 14.920 1.00 0.00 C ATOM 278 O GLU A 20 1.834 -8.284 15.735 1.00 0.00 O ATOM 279 CB GLU A 20 -0.323 -6.534 14.854 1.00 0.00 C ATOM 280 CG GLU A 20 -0.983 -5.445 14.023 1.00 0.00 C ATOM 281 CD GLU A 20 -1.519 -4.306 14.871 1.00 0.00 C ATOM 282 OE1 GLU A 20 -1.603 -4.475 16.106 1.00 0.00 O ATOM 283 OE2 GLU A 20 -1.851 -3.247 14.301 1.00 0.00 O ATOM 0 H GLU A 20 -1.668 -8.363 13.679 1.00 0.00 H new ATOM 0 HA GLU A 20 1.012 -7.241 13.326 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.060 -6.955 15.538 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.462 -6.088 15.465 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.261 -5.051 13.308 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.800 -5.879 13.446 1.00 0.00 H new ATOM 290 N ASP A 21 0.665 -9.942 14.765 1.00 0.00 N ATOM 291 CA ASP A 21 1.285 -10.991 15.560 1.00 0.00 C ATOM 292 C ASP A 21 2.667 -11.325 15.010 1.00 0.00 C ATOM 293 O ASP A 21 3.493 -11.927 15.696 1.00 0.00 O ATOM 294 CB ASP A 21 0.410 -12.244 15.561 1.00 0.00 C ATOM 295 CG ASP A 21 0.886 -13.284 16.556 1.00 0.00 C ATOM 296 OD1 ASP A 21 1.708 -12.938 17.430 1.00 0.00 O ATOM 297 OD2 ASP A 21 0.434 -14.445 16.463 1.00 0.00 O ATOM 0 H ASP A 21 -0.028 -10.275 14.095 1.00 0.00 H new ATOM 0 HA ASP A 21 1.389 -10.632 16.584 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.617 -11.965 15.795 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.403 -12.679 14.561 1.00 0.00 H new ATOM 302 N VAL A 22 2.910 -10.929 13.764 1.00 0.00 N ATOM 303 CA VAL A 22 4.186 -11.180 13.117 1.00 0.00 C ATOM 304 C VAL A 22 5.070 -9.939 13.159 1.00 0.00 C ATOM 305 O VAL A 22 4.578 -8.813 13.077 1.00 0.00 O ATOM 306 CB VAL A 22 4.008 -11.621 11.647 1.00 0.00 C ATOM 307 CG1 VAL A 22 4.109 -13.134 11.525 1.00 0.00 C ATOM 308 CG2 VAL A 22 2.690 -11.121 11.071 1.00 0.00 C ATOM 0 H VAL A 22 2.235 -10.431 13.184 1.00 0.00 H new ATOM 0 HA VAL A 22 4.663 -11.990 13.669 1.00 0.00 H new ATOM 0 HB VAL A 22 4.814 -11.172 11.066 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.981 -13.424 10.482 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.087 -13.463 11.876 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.331 -13.601 12.130 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.598 -11.449 10.036 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.862 -11.523 11.655 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.666 -10.032 11.110 1.00 0.00 H new ATOM 318 N SER A 23 6.376 -10.147 13.291 1.00 0.00 N ATOM 319 CA SER A 23 7.320 -9.040 13.345 1.00 0.00 C ATOM 320 C SER A 23 8.325 -9.120 12.192 1.00 0.00 C ATOM 321 O SER A 23 9.114 -10.061 12.116 1.00 0.00 O ATOM 322 CB SER A 23 8.057 -9.039 14.687 1.00 0.00 C ATOM 323 OG SER A 23 9.323 -8.409 14.580 1.00 0.00 O ATOM 0 H SER A 23 6.803 -11.071 13.362 1.00 0.00 H new ATOM 0 HA SER A 23 6.760 -8.110 13.246 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.454 -8.524 15.435 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.187 -10.064 15.034 1.00 0.00 H new ATOM 0 HG SER A 23 9.770 -8.422 15.452 1.00 0.00 H new ATOM 329 N PRO A 24 8.309 -8.132 11.275 1.00 0.00 N ATOM 330 CA PRO A 24 7.386 -6.994 11.330 1.00 0.00 C ATOM 331 C PRO A 24 5.988 -7.363 10.849 1.00 0.00 C ATOM 332 O PRO A 24 5.831 -8.190 9.950 1.00 0.00 O ATOM 333 CB PRO A 24 8.023 -5.988 10.379 1.00 0.00 C ATOM 334 CG PRO A 24 8.734 -6.823 9.373 1.00 0.00 C ATOM 335 CD PRO A 24 9.204 -8.054 10.103 1.00 0.00 C ATOM 0 HA PRO A 24 7.251 -6.622 12.346 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.270 -5.355 9.909 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.712 -5.327 10.904 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.071 -7.088 8.549 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.576 -6.281 8.943 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.124 -8.944 9.479 1.00 0.00 H new ATOM 0 HD3 PRO A 24 10.248 -7.967 10.402 1.00 0.00 H new ATOM 343 N ALA A 25 4.973 -6.744 11.447 1.00 0.00 N ATOM 344 CA ALA A 25 3.588 -7.007 11.067 1.00 0.00 C ATOM 345 C ALA A 25 3.429 -6.962 9.551 1.00 0.00 C ATOM 346 O ALA A 25 3.996 -6.095 8.886 1.00 0.00 O ATOM 347 CB ALA A 25 2.656 -6.006 11.730 1.00 0.00 C ATOM 0 H ALA A 25 5.083 -6.059 12.194 1.00 0.00 H new ATOM 0 HA ALA A 25 3.322 -8.007 11.410 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.628 -6.216 11.436 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.747 -6.086 12.813 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.924 -4.997 11.417 1.00 0.00 H new ATOM 353 N GLU A 26 2.670 -7.907 9.007 1.00 0.00 N ATOM 354 CA GLU A 26 2.463 -7.972 7.565 1.00 0.00 C ATOM 355 C GLU A 26 0.982 -8.020 7.210 1.00 0.00 C ATOM 356 O GLU A 26 0.129 -8.249 8.067 1.00 0.00 O ATOM 357 CB GLU A 26 3.173 -9.198 6.987 1.00 0.00 C ATOM 358 CG GLU A 26 4.638 -9.295 7.379 1.00 0.00 C ATOM 359 CD GLU A 26 5.349 -10.449 6.698 1.00 0.00 C ATOM 360 OE1 GLU A 26 4.660 -11.304 6.102 1.00 0.00 O ATOM 361 OE2 GLU A 26 6.596 -10.496 6.759 1.00 0.00 O ATOM 0 H GLU A 26 2.191 -8.634 9.538 1.00 0.00 H new ATOM 0 HA GLU A 26 2.884 -7.065 7.130 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.656 -10.098 7.321 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.098 -9.172 5.900 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.141 -8.362 7.124 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.714 -9.413 8.460 1.00 0.00 H new ATOM 368 N LEU A 27 0.694 -7.811 5.930 1.00 0.00 N ATOM 369 CA LEU A 27 -0.675 -7.837 5.429 1.00 0.00 C ATOM 370 C LEU A 27 -0.809 -8.903 4.348 1.00 0.00 C ATOM 371 O LEU A 27 0.006 -8.969 3.429 1.00 0.00 O ATOM 372 CB LEU A 27 -1.061 -6.464 4.872 1.00 0.00 C ATOM 373 CG LEU A 27 -2.380 -6.419 4.099 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.988 -5.026 4.159 1.00 0.00 C ATOM 375 CD2 LEU A 27 -2.164 -6.849 2.655 1.00 0.00 C ATOM 0 H LEU A 27 1.397 -7.620 5.216 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.349 -8.079 6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.120 -5.758 5.700 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.262 -6.119 4.215 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.077 -7.115 4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.926 -5.014 3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.178 -4.757 5.198 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.296 -4.308 3.719 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.112 -6.812 2.119 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.450 -6.177 2.178 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.775 -7.867 2.633 1.00 0.00 H new ATOM 387 N THR A 28 -1.826 -9.748 4.470 1.00 0.00 N ATOM 388 CA THR A 28 -2.038 -10.818 3.505 1.00 0.00 C ATOM 389 C THR A 28 -3.356 -10.655 2.755 1.00 0.00 C ATOM 390 O THR A 28 -4.426 -10.583 3.358 1.00 0.00 O ATOM 391 CB THR A 28 -2.009 -12.176 4.209 1.00 0.00 C ATOM 392 OG1 THR A 28 -0.823 -12.319 4.971 1.00 0.00 O ATOM 393 CG2 THR A 28 -2.086 -13.347 3.254 1.00 0.00 C ATOM 0 H THR A 28 -2.513 -9.713 5.223 1.00 0.00 H new ATOM 0 HA THR A 28 -1.230 -10.765 2.776 1.00 0.00 H new ATOM 0 HB THR A 28 -2.893 -12.191 4.847 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.823 -13.193 5.415 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.061 -14.279 3.818 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.014 -13.292 2.685 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.239 -13.314 2.569 1.00 0.00 H new ATOM 401 N TRP A 29 -3.262 -10.615 1.430 1.00 0.00 N ATOM 402 CA TRP A 29 -4.422 -10.479 0.574 1.00 0.00 C ATOM 403 C TRP A 29 -4.811 -11.836 0.001 1.00 0.00 C ATOM 404 O TRP A 29 -3.975 -12.545 -0.558 1.00 0.00 O ATOM 405 CB TRP A 29 -4.117 -9.511 -0.566 1.00 0.00 C ATOM 406 CG TRP A 29 -5.239 -9.388 -1.544 1.00 0.00 C ATOM 407 CD1 TRP A 29 -6.427 -8.769 -1.330 1.00 0.00 C ATOM 408 CD2 TRP A 29 -5.287 -9.911 -2.875 1.00 0.00 C ATOM 409 NE1 TRP A 29 -7.216 -8.852 -2.451 1.00 0.00 N ATOM 410 CE2 TRP A 29 -6.537 -9.554 -3.415 1.00 0.00 C ATOM 411 CE3 TRP A 29 -4.393 -10.641 -3.665 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -6.915 -9.903 -4.710 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -4.771 -10.987 -4.949 1.00 0.00 C ATOM 414 CH2 TRP A 29 -6.021 -10.617 -5.460 1.00 0.00 C ATOM 0 H TRP A 29 -2.378 -10.676 0.925 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.251 -10.089 1.165 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -3.895 -8.528 -0.151 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.221 -9.846 -1.089 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.712 -8.281 -0.410 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.151 -8.457 -2.551 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.426 -10.929 -3.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.879 -9.620 -5.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.091 -11.552 -5.568 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.285 -10.901 -6.468 1.00 0.00 H new ATOM 425 N ARG A 30 -6.080 -12.192 0.137 1.00 0.00 N ATOM 426 CA ARG A 30 -6.566 -13.466 -0.376 1.00 0.00 C ATOM 427 C ARG A 30 -7.743 -13.256 -1.321 1.00 0.00 C ATOM 428 O ARG A 30 -8.797 -12.772 -0.915 1.00 0.00 O ATOM 429 CB ARG A 30 -6.975 -14.386 0.775 1.00 0.00 C ATOM 430 CG ARG A 30 -7.187 -15.831 0.352 1.00 0.00 C ATOM 431 CD ARG A 30 -6.683 -16.802 1.406 1.00 0.00 C ATOM 432 NE ARG A 30 -5.315 -16.500 1.822 1.00 0.00 N ATOM 433 CZ ARG A 30 -4.768 -16.946 2.951 1.00 0.00 C ATOM 434 NH1 ARG A 30 -5.466 -17.714 3.778 1.00 0.00 N ATOM 435 NH2 ARG A 30 -3.518 -16.624 3.254 1.00 0.00 N ATOM 0 H ARG A 30 -6.789 -11.620 0.596 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.756 -13.937 -0.932 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.207 -14.351 1.548 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.894 -14.008 1.222 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.248 -16.006 0.173 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.670 -16.015 -0.590 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.341 -16.768 2.274 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.726 -17.818 1.013 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.746 -15.913 1.212 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.428 -17.966 3.550 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.041 -18.052 4.641 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.976 -16.035 2.622 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.099 -16.966 4.119 1.00 0.00 H new ATOM 449 N SER A 31 -7.556 -13.623 -2.587 1.00 0.00 N ATOM 450 CA SER A 31 -8.604 -13.472 -3.594 1.00 0.00 C ATOM 451 C SER A 31 -9.951 -13.952 -3.061 1.00 0.00 C ATOM 452 O SER A 31 -10.014 -14.658 -2.057 1.00 0.00 O ATOM 453 CB SER A 31 -8.240 -14.250 -4.861 1.00 0.00 C ATOM 454 OG SER A 31 -9.299 -14.219 -5.801 1.00 0.00 O ATOM 0 H SER A 31 -6.688 -14.027 -2.940 1.00 0.00 H new ATOM 0 HA SER A 31 -8.687 -12.412 -3.835 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.341 -13.824 -5.307 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.009 -15.284 -4.603 1.00 0.00 H new ATOM 0 HG SER A 31 -9.041 -14.722 -6.602 1.00 0.00 H new ATOM 460 N THR A 32 -11.025 -13.571 -3.746 1.00 0.00 N ATOM 461 CA THR A 32 -12.361 -13.969 -3.344 1.00 0.00 C ATOM 462 C THR A 32 -12.566 -15.439 -3.646 1.00 0.00 C ATOM 463 O THR A 32 -13.140 -16.185 -2.852 1.00 0.00 O ATOM 464 CB THR A 32 -13.410 -13.130 -4.077 1.00 0.00 C ATOM 465 OG1 THR A 32 -12.790 -12.150 -4.892 1.00 0.00 O ATOM 466 CG2 THR A 32 -14.358 -12.413 -3.144 1.00 0.00 C ATOM 0 H THR A 32 -10.991 -12.987 -4.582 1.00 0.00 H new ATOM 0 HA THR A 32 -12.473 -13.803 -2.273 1.00 0.00 H new ATOM 0 HB THR A 32 -13.980 -13.840 -4.676 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.465 -11.517 -5.213 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.076 -11.837 -3.727 1.00 0.00 H new ATOM 0 HG22 THR A 32 -14.889 -13.143 -2.533 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.793 -11.741 -2.497 1.00 0.00 H new ATOM 474 N ASP A 33 -12.078 -15.840 -4.806 1.00 0.00 N ATOM 475 CA ASP A 33 -12.183 -17.216 -5.247 1.00 0.00 C ATOM 476 C ASP A 33 -11.098 -18.081 -4.610 1.00 0.00 C ATOM 477 O ASP A 33 -11.235 -19.300 -4.521 1.00 0.00 O ATOM 478 CB ASP A 33 -12.092 -17.298 -6.772 1.00 0.00 C ATOM 479 CG ASP A 33 -13.262 -16.619 -7.458 1.00 0.00 C ATOM 480 OD1 ASP A 33 -14.286 -16.375 -6.786 1.00 0.00 O ATOM 481 OD2 ASP A 33 -13.155 -16.334 -8.670 1.00 0.00 O ATOM 0 H ASP A 33 -11.601 -15.224 -5.464 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.154 -17.596 -4.930 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.162 -16.836 -7.103 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.054 -18.344 -7.075 1.00 0.00 H new ATOM 486 N GLY A 34 -10.019 -17.439 -4.171 1.00 0.00 N ATOM 487 CA GLY A 34 -8.926 -18.164 -3.550 1.00 0.00 C ATOM 488 C GLY A 34 -7.905 -18.650 -4.561 1.00 0.00 C ATOM 489 O GLY A 34 -7.306 -19.710 -4.388 1.00 0.00 O ATOM 0 H GLY A 34 -9.883 -16.430 -4.234 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.434 -17.519 -2.822 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.325 -19.017 -3.002 1.00 0.00 H new ATOM 493 N ASP A 35 -7.711 -17.873 -5.623 1.00 0.00 N ATOM 494 CA ASP A 35 -6.759 -18.233 -6.667 1.00 0.00 C ATOM 495 C ASP A 35 -5.512 -17.354 -6.614 1.00 0.00 C ATOM 496 O ASP A 35 -4.459 -17.727 -7.130 1.00 0.00 O ATOM 497 CB ASP A 35 -7.417 -18.121 -8.045 1.00 0.00 C ATOM 498 CG ASP A 35 -6.513 -18.613 -9.159 1.00 0.00 C ATOM 499 OD1 ASP A 35 -6.485 -19.836 -9.404 1.00 0.00 O ATOM 500 OD2 ASP A 35 -5.833 -17.772 -9.786 1.00 0.00 O ATOM 0 H ASP A 35 -8.200 -16.992 -5.782 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.453 -19.265 -6.495 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.342 -18.697 -8.051 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.687 -17.082 -8.232 1.00 0.00 H new ATOM 505 N LYS A 36 -5.637 -16.189 -5.991 1.00 0.00 N ATOM 506 CA LYS A 36 -4.516 -15.261 -5.878 1.00 0.00 C ATOM 507 C LYS A 36 -4.286 -14.849 -4.428 1.00 0.00 C ATOM 508 O LYS A 36 -5.229 -14.518 -3.708 1.00 0.00 O ATOM 509 CB LYS A 36 -4.764 -14.017 -6.732 1.00 0.00 C ATOM 510 CG LYS A 36 -5.340 -14.323 -8.107 1.00 0.00 C ATOM 511 CD LYS A 36 -4.588 -13.591 -9.207 1.00 0.00 C ATOM 512 CE LYS A 36 -4.585 -12.088 -8.980 1.00 0.00 C ATOM 513 NZ LYS A 36 -4.245 -11.338 -10.220 1.00 0.00 N ATOM 0 H LYS A 36 -6.501 -15.864 -5.557 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.624 -15.774 -6.239 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.447 -13.353 -6.201 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.825 -13.477 -6.853 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.297 -15.397 -8.289 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.392 -14.037 -8.133 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.561 -13.955 -9.251 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.046 -13.813 -10.171 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.566 -11.773 -8.623 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.867 -11.841 -8.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.434 -10.325 -10.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.238 -11.474 -10.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.825 -11.690 -11.008 1.00 0.00 H new ATOM 527 N VAL A 37 -3.025 -14.866 -4.008 1.00 0.00 N ATOM 528 CA VAL A 37 -2.667 -14.488 -2.646 1.00 0.00 C ATOM 529 C VAL A 37 -1.392 -13.649 -2.630 1.00 0.00 C ATOM 530 O VAL A 37 -0.423 -13.962 -3.322 1.00 0.00 O ATOM 531 CB VAL A 37 -2.470 -15.724 -1.748 1.00 0.00 C ATOM 532 CG1 VAL A 37 -2.207 -15.305 -0.308 1.00 0.00 C ATOM 533 CG2 VAL A 37 -3.682 -16.642 -1.830 1.00 0.00 C ATOM 0 H VAL A 37 -2.234 -15.138 -4.592 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.495 -13.898 -2.253 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.600 -16.274 -2.106 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.071 -16.192 0.310 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.307 -14.692 -0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.055 -14.730 0.064 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.525 -17.510 -1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.570 -16.103 -1.500 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.820 -16.972 -2.860 1.00 0.00 H new ATOM 543 N HIS A 38 -1.401 -12.581 -1.839 1.00 0.00 N ATOM 544 CA HIS A 38 -0.244 -11.697 -1.737 1.00 0.00 C ATOM 545 C HIS A 38 0.002 -11.269 -0.298 1.00 0.00 C ATOM 546 O HIS A 38 -0.931 -11.094 0.483 1.00 0.00 O ATOM 547 CB HIS A 38 -0.422 -10.462 -2.615 1.00 0.00 C ATOM 548 CG HIS A 38 0.769 -9.554 -2.620 1.00 0.00 C ATOM 549 ND1 HIS A 38 1.979 -9.901 -3.185 1.00 0.00 N ATOM 550 CD2 HIS A 38 0.933 -8.305 -2.125 1.00 0.00 C ATOM 551 CE1 HIS A 38 2.834 -8.905 -3.037 1.00 0.00 C ATOM 552 NE2 HIS A 38 2.224 -7.924 -2.398 1.00 0.00 N ATOM 0 H HIS A 38 -2.195 -12.307 -1.260 1.00 0.00 H new ATOM 0 HA HIS A 38 0.622 -12.259 -2.085 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -0.631 -10.780 -3.637 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.293 -9.904 -2.271 1.00 0.00 H new ATOM 0 HD1 HIS A 38 2.182 -10.788 -3.645 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.187 -7.717 -1.611 1.00 0.00 H new ATOM 0 HE1 HIS A 38 3.858 -8.895 -3.380 1.00 0.00 H new ATOM 561 N THR A 39 1.271 -11.099 0.038 1.00 0.00 N ATOM 562 CA THR A 39 1.665 -10.687 1.381 1.00 0.00 C ATOM 563 C THR A 39 2.557 -9.448 1.331 1.00 0.00 C ATOM 564 O THR A 39 3.426 -9.334 0.466 1.00 0.00 O ATOM 565 CB THR A 39 2.397 -11.826 2.091 1.00 0.00 C ATOM 566 OG1 THR A 39 1.607 -13.003 2.099 1.00 0.00 O ATOM 567 CG2 THR A 39 2.754 -11.505 3.527 1.00 0.00 C ATOM 0 H THR A 39 2.052 -11.240 -0.603 1.00 0.00 H new ATOM 0 HA THR A 39 0.761 -10.440 1.938 1.00 0.00 H new ATOM 0 HB THR A 39 3.318 -11.972 1.527 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.094 -13.720 2.556 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.271 -12.355 3.972 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.404 -10.630 3.554 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.844 -11.298 4.091 1.00 0.00 H new ATOM 575 N VAL A 40 2.335 -8.522 2.259 1.00 0.00 N ATOM 576 CA VAL A 40 3.121 -7.294 2.314 1.00 0.00 C ATOM 577 C VAL A 40 3.622 -7.011 3.723 1.00 0.00 C ATOM 578 O VAL A 40 2.899 -7.193 4.704 1.00 0.00 O ATOM 579 CB VAL A 40 2.309 -6.068 1.845 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.133 -4.792 1.991 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.841 -6.247 0.409 1.00 0.00 C ATOM 0 H VAL A 40 1.619 -8.598 2.982 1.00 0.00 H new ATOM 0 HA VAL A 40 3.965 -7.453 1.643 1.00 0.00 H new ATOM 0 HB VAL A 40 1.427 -5.980 2.479 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.544 -3.938 1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.408 -4.654 3.037 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.036 -4.871 1.385 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.271 -5.371 0.100 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.706 -6.366 -0.243 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.210 -7.133 0.340 1.00 0.00 H new ATOM 591 N VAL A 41 4.853 -6.528 3.811 1.00 0.00 N ATOM 592 CA VAL A 41 5.442 -6.173 5.092 1.00 0.00 C ATOM 593 C VAL A 41 5.030 -4.748 5.450 1.00 0.00 C ATOM 594 O VAL A 41 5.328 -3.803 4.721 1.00 0.00 O ATOM 595 CB VAL A 41 6.984 -6.301 5.061 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.544 -5.756 3.758 1.00 0.00 C ATOM 597 CG2 VAL A 41 7.626 -5.631 6.274 1.00 0.00 C ATOM 0 H VAL A 41 5.463 -6.373 3.009 1.00 0.00 H new ATOM 0 HA VAL A 41 5.076 -6.864 5.851 1.00 0.00 H new ATOM 0 HB VAL A 41 7.234 -7.361 5.113 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.629 -5.856 3.758 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.128 -6.316 2.921 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.277 -4.704 3.659 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.709 -5.740 6.219 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.368 -4.572 6.284 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.259 -6.102 7.186 1.00 0.00 H new ATOM 607 N LEU A 42 4.313 -4.606 6.558 1.00 0.00 N ATOM 608 CA LEU A 42 3.823 -3.303 6.992 1.00 0.00 C ATOM 609 C LEU A 42 4.942 -2.415 7.530 1.00 0.00 C ATOM 610 O LEU A 42 4.871 -1.190 7.431 1.00 0.00 O ATOM 611 CB LEU A 42 2.739 -3.483 8.056 1.00 0.00 C ATOM 612 CG LEU A 42 1.577 -4.388 7.642 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.530 -4.454 8.742 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.958 -3.896 6.341 1.00 0.00 C ATOM 0 H LEU A 42 4.057 -5.378 7.173 1.00 0.00 H new ATOM 0 HA LEU A 42 3.404 -2.803 6.119 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.198 -3.893 8.956 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.342 -2.503 8.319 1.00 0.00 H new ATOM 0 HG LEU A 42 1.965 -5.394 7.481 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.288 -5.103 8.428 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.981 -4.853 9.650 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.145 -3.453 8.938 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.133 -4.551 6.060 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.586 -2.881 6.476 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.712 -3.904 5.554 1.00 0.00 H new ATOM 626 N SER A 43 5.969 -3.029 8.108 1.00 0.00 N ATOM 627 CA SER A 43 7.092 -2.276 8.668 1.00 0.00 C ATOM 628 C SER A 43 7.698 -1.321 7.641 1.00 0.00 C ATOM 629 O SER A 43 8.331 -0.331 8.002 1.00 0.00 O ATOM 630 CB SER A 43 8.167 -3.232 9.192 1.00 0.00 C ATOM 631 OG SER A 43 9.441 -2.611 9.215 1.00 0.00 O ATOM 0 H SER A 43 6.050 -4.041 8.202 1.00 0.00 H new ATOM 0 HA SER A 43 6.707 -1.680 9.495 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.904 -3.564 10.196 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.205 -4.121 8.562 1.00 0.00 H new ATOM 0 HG SER A 43 10.107 -3.244 9.555 1.00 0.00 H new ATOM 637 N THR A 44 7.505 -1.627 6.365 1.00 0.00 N ATOM 638 CA THR A 44 8.040 -0.790 5.293 1.00 0.00 C ATOM 639 C THR A 44 7.102 0.367 4.980 1.00 0.00 C ATOM 640 O THR A 44 7.527 1.403 4.473 1.00 0.00 O ATOM 641 CB THR A 44 8.287 -1.614 4.023 1.00 0.00 C ATOM 642 OG1 THR A 44 7.214 -1.472 3.108 1.00 0.00 O ATOM 643 CG2 THR A 44 8.462 -3.091 4.285 1.00 0.00 C ATOM 0 H THR A 44 6.985 -2.444 6.045 1.00 0.00 H new ATOM 0 HA THR A 44 8.991 -0.385 5.640 1.00 0.00 H new ATOM 0 HB THR A 44 9.216 -1.220 3.611 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.395 -2.005 2.306 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.633 -3.610 3.342 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.317 -3.245 4.944 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.563 -3.485 4.759 1.00 0.00 H new ATOM 651 N ILE A 45 5.824 0.179 5.272 1.00 0.00 N ATOM 652 CA ILE A 45 4.828 1.206 5.010 1.00 0.00 C ATOM 653 C ILE A 45 5.219 2.530 5.660 1.00 0.00 C ATOM 654 O ILE A 45 5.057 2.717 6.864 1.00 0.00 O ATOM 655 CB ILE A 45 3.432 0.777 5.501 1.00 0.00 C ATOM 656 CG1 ILE A 45 3.005 -0.511 4.798 1.00 0.00 C ATOM 657 CG2 ILE A 45 2.411 1.881 5.257 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.019 -0.404 3.288 1.00 0.00 C ATOM 0 H ILE A 45 5.453 -0.674 5.690 1.00 0.00 H new ATOM 0 HA ILE A 45 4.787 1.343 3.929 1.00 0.00 H new ATOM 0 HB ILE A 45 3.482 0.594 6.574 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.668 -1.320 5.104 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.001 -0.780 5.127 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.433 1.556 5.611 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.712 2.780 5.795 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.357 2.097 4.190 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.706 -1.353 2.853 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.334 0.383 2.973 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.027 -0.165 2.949 1.00 0.00 H new ATOM 670 N ASP A 46 5.745 3.440 4.847 1.00 0.00 N ATOM 671 CA ASP A 46 6.172 4.746 5.330 1.00 0.00 C ATOM 672 C ASP A 46 5.087 5.801 5.127 1.00 0.00 C ATOM 673 O ASP A 46 5.101 6.841 5.785 1.00 0.00 O ATOM 674 CB ASP A 46 7.451 5.178 4.609 1.00 0.00 C ATOM 675 CG ASP A 46 8.282 6.141 5.434 1.00 0.00 C ATOM 676 OD1 ASP A 46 8.055 6.225 6.661 1.00 0.00 O ATOM 677 OD2 ASP A 46 9.164 6.811 4.856 1.00 0.00 O ATOM 0 H ASP A 46 5.886 3.295 3.847 1.00 0.00 H new ATOM 0 HA ASP A 46 6.364 4.659 6.399 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.048 4.297 4.374 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.189 5.648 3.661 1.00 0.00 H new ATOM 682 N LYS A 47 4.152 5.540 4.214 1.00 0.00 N ATOM 683 CA LYS A 47 3.080 6.492 3.950 1.00 0.00 C ATOM 684 C LYS A 47 1.837 5.792 3.421 1.00 0.00 C ATOM 685 O LYS A 47 1.915 4.954 2.523 1.00 0.00 O ATOM 686 CB LYS A 47 3.546 7.553 2.949 1.00 0.00 C ATOM 687 CG LYS A 47 4.677 8.425 3.468 1.00 0.00 C ATOM 688 CD LYS A 47 5.013 9.540 2.490 1.00 0.00 C ATOM 689 CE LYS A 47 6.349 10.187 2.818 1.00 0.00 C ATOM 690 NZ LYS A 47 6.297 11.669 2.683 1.00 0.00 N ATOM 0 H LYS A 47 4.116 4.689 3.653 1.00 0.00 H new ATOM 0 HA LYS A 47 2.824 6.975 4.893 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.871 7.059 2.033 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.700 8.188 2.686 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.395 8.855 4.429 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.561 7.812 3.640 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.041 9.140 1.476 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.227 10.295 2.513 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.639 9.925 3.836 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.117 9.789 2.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.227 12.072 2.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.045 11.920 1.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.582 12.052 3.334 1.00 0.00 H new ATOM 704 N LEU A 48 0.687 6.147 3.982 1.00 0.00 N ATOM 705 CA LEU A 48 -0.578 5.561 3.566 1.00 0.00 C ATOM 706 C LEU A 48 -1.382 6.553 2.738 1.00 0.00 C ATOM 707 O LEU A 48 -1.663 7.666 3.184 1.00 0.00 O ATOM 708 CB LEU A 48 -1.393 5.125 4.784 1.00 0.00 C ATOM 709 CG LEU A 48 -0.894 3.861 5.481 1.00 0.00 C ATOM 710 CD1 LEU A 48 -1.744 3.558 6.705 1.00 0.00 C ATOM 711 CD2 LEU A 48 -0.903 2.683 4.518 1.00 0.00 C ATOM 0 H LEU A 48 0.606 6.839 4.727 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.360 4.686 2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.401 5.941 5.507 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.425 4.966 4.472 1.00 0.00 H new ATOM 0 HG LEU A 48 0.132 4.029 5.808 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.375 2.654 7.190 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.687 4.393 7.403 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.780 3.409 6.401 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.544 1.791 5.031 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.919 2.513 4.161 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.252 2.900 3.671 1.00 0.00 H new ATOM 723 N GLN A 49 -1.754 6.142 1.533 1.00 0.00 N ATOM 724 CA GLN A 49 -2.533 6.994 0.644 1.00 0.00 C ATOM 725 C GLN A 49 -3.953 6.463 0.507 1.00 0.00 C ATOM 726 O GLN A 49 -4.161 5.279 0.249 1.00 0.00 O ATOM 727 CB GLN A 49 -1.868 7.080 -0.731 1.00 0.00 C ATOM 728 CG GLN A 49 -0.609 7.933 -0.746 1.00 0.00 C ATOM 729 CD GLN A 49 0.046 7.981 -2.112 1.00 0.00 C ATOM 730 OE1 GLN A 49 -0.099 7.059 -2.915 1.00 0.00 O ATOM 731 NE2 GLN A 49 0.771 9.059 -2.384 1.00 0.00 N ATOM 0 H GLN A 49 -1.529 5.224 1.149 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.575 7.994 1.076 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.619 6.074 -1.069 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.582 7.489 -1.446 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.857 8.946 -0.430 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.102 7.538 -0.020 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.864 9.800 -1.689 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.235 9.147 -3.288 1.00 0.00 H new ATOM 740 N ALA A 50 -4.928 7.344 0.686 1.00 0.00 N ATOM 741 CA ALA A 50 -6.327 6.958 0.587 1.00 0.00 C ATOM 742 C ALA A 50 -7.149 8.053 -0.081 1.00 0.00 C ATOM 743 O ALA A 50 -6.921 9.242 0.144 1.00 0.00 O ATOM 744 CB ALA A 50 -6.884 6.638 1.967 1.00 0.00 C ATOM 0 H ALA A 50 -4.775 8.329 0.900 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.392 6.064 -0.033 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.932 6.351 1.879 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.318 5.816 2.406 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.802 7.518 2.606 1.00 0.00 H new ATOM 750 N THR A 51 -8.109 7.644 -0.903 1.00 0.00 N ATOM 751 CA THR A 51 -8.966 8.592 -1.604 1.00 0.00 C ATOM 752 C THR A 51 -10.005 9.182 -0.652 1.00 0.00 C ATOM 753 O THR A 51 -10.586 8.466 0.166 1.00 0.00 O ATOM 754 CB THR A 51 -9.661 7.908 -2.783 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.481 6.843 -2.332 1.00 0.00 O ATOM 756 CG2 THR A 51 -8.695 7.343 -3.803 1.00 0.00 C ATOM 0 H THR A 51 -8.313 6.664 -1.100 1.00 0.00 H new ATOM 0 HA THR A 51 -8.344 9.402 -1.984 1.00 0.00 H new ATOM 0 HB THR A 51 -10.253 8.688 -3.261 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.331 6.855 -2.820 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.254 6.872 -4.612 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.081 8.148 -4.207 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.054 6.602 -3.326 1.00 0.00 H new ATOM 764 N PRO A 52 -10.252 10.503 -0.738 1.00 0.00 N ATOM 765 CA PRO A 52 -11.223 11.184 0.128 1.00 0.00 C ATOM 766 C PRO A 52 -12.630 10.612 -0.010 1.00 0.00 C ATOM 767 O PRO A 52 -12.991 10.070 -1.053 1.00 0.00 O ATOM 768 CB PRO A 52 -11.187 12.642 -0.353 1.00 0.00 C ATOM 769 CG PRO A 52 -10.558 12.594 -1.704 1.00 0.00 C ATOM 770 CD PRO A 52 -9.606 11.434 -1.676 1.00 0.00 C ATOM 0 HA PRO A 52 -10.971 11.067 1.182 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.190 13.065 -0.401 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.609 13.267 0.328 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.311 12.462 -2.481 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -10.034 13.524 -1.924 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.480 10.990 -2.664 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.616 11.732 -1.332 1.00 0.00 H new ATOM 778 N ALA A 53 -13.418 10.737 1.053 1.00 0.00 N ATOM 779 CA ALA A 53 -14.786 10.234 1.057 1.00 0.00 C ATOM 780 C ALA A 53 -15.627 10.916 -0.017 1.00 0.00 C ATOM 781 O ALA A 53 -16.397 10.265 -0.721 1.00 0.00 O ATOM 782 CB ALA A 53 -15.417 10.432 2.427 1.00 0.00 C ATOM 0 H ALA A 53 -13.131 11.183 1.924 1.00 0.00 H new ATOM 0 HA ALA A 53 -14.754 9.168 0.833 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -16.439 10.052 2.415 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.837 9.892 3.176 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -15.428 11.494 2.673 1.00 0.00 H new ATOM 788 N SER A 54 -15.471 12.231 -0.140 1.00 0.00 N ATOM 789 CA SER A 54 -16.216 13.000 -1.131 1.00 0.00 C ATOM 790 C SER A 54 -15.948 12.472 -2.535 1.00 0.00 C ATOM 791 O SER A 54 -16.789 12.592 -3.427 1.00 0.00 O ATOM 792 CB SER A 54 -15.844 14.481 -1.046 1.00 0.00 C ATOM 793 OG SER A 54 -16.043 14.984 0.262 1.00 0.00 O ATOM 0 H SER A 54 -14.836 12.786 0.434 1.00 0.00 H new ATOM 0 HA SER A 54 -17.279 12.892 -0.918 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.801 14.614 -1.335 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.446 15.051 -1.753 1.00 0.00 H new ATOM 0 HG SER A 54 -15.796 15.932 0.289 1.00 0.00 H new ATOM 799 N SER A 55 -14.774 11.887 -2.719 1.00 0.00 N ATOM 800 CA SER A 55 -14.382 11.336 -4.005 1.00 0.00 C ATOM 801 C SER A 55 -14.964 9.944 -4.196 1.00 0.00 C ATOM 802 O SER A 55 -14.678 9.028 -3.426 1.00 0.00 O ATOM 803 CB SER A 55 -12.858 11.284 -4.119 1.00 0.00 C ATOM 804 OG SER A 55 -12.327 12.556 -4.447 1.00 0.00 O ATOM 0 H SER A 55 -14.072 11.782 -1.987 1.00 0.00 H new ATOM 0 HA SER A 55 -14.775 11.986 -4.787 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.431 10.940 -3.177 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.572 10.559 -4.881 1.00 0.00 H new ATOM 0 HG SER A 55 -12.697 13.231 -3.841 1.00 0.00 H new ATOM 810 N GLU A 56 -15.771 9.789 -5.239 1.00 0.00 N ATOM 811 CA GLU A 56 -16.379 8.502 -5.544 1.00 0.00 C ATOM 812 C GLU A 56 -15.304 7.435 -5.730 1.00 0.00 C ATOM 813 O GLU A 56 -15.581 6.237 -5.660 1.00 0.00 O ATOM 814 CB GLU A 56 -17.235 8.604 -6.807 1.00 0.00 C ATOM 815 CG GLU A 56 -18.409 9.559 -6.670 1.00 0.00 C ATOM 816 CD GLU A 56 -19.281 9.594 -7.911 1.00 0.00 C ATOM 817 OE1 GLU A 56 -18.851 9.061 -8.956 1.00 0.00 O ATOM 818 OE2 GLU A 56 -20.396 10.154 -7.837 1.00 0.00 O ATOM 0 H GLU A 56 -16.018 10.538 -5.886 1.00 0.00 H new ATOM 0 HA GLU A 56 -17.016 8.217 -4.707 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.607 8.930 -7.636 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -17.611 7.613 -7.062 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -19.015 9.264 -5.813 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.035 10.562 -6.465 1.00 0.00 H new ATOM 825 N LYS A 57 -14.072 7.883 -5.965 1.00 0.00 N ATOM 826 CA LYS A 57 -12.951 6.973 -6.160 1.00 0.00 C ATOM 827 C LYS A 57 -12.764 6.066 -4.947 1.00 0.00 C ATOM 828 O LYS A 57 -12.794 6.524 -3.805 1.00 0.00 O ATOM 829 CB LYS A 57 -11.666 7.761 -6.424 1.00 0.00 C ATOM 830 CG LYS A 57 -11.728 8.623 -7.675 1.00 0.00 C ATOM 831 CD LYS A 57 -11.851 7.774 -8.930 1.00 0.00 C ATOM 832 CE LYS A 57 -11.557 8.586 -10.181 1.00 0.00 C ATOM 833 NZ LYS A 57 -12.398 8.157 -11.332 1.00 0.00 N ATOM 0 H LYS A 57 -13.827 8.871 -6.025 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.172 6.349 -7.026 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.457 8.397 -5.564 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.834 7.063 -6.514 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.578 9.302 -7.609 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.832 9.240 -7.738 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.161 6.932 -8.871 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.857 7.358 -8.992 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.732 9.642 -9.977 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.504 8.482 -10.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.167 8.735 -12.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.213 7.156 -11.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.403 8.280 -11.093 1.00 0.00 H new ATOM 847 N MET A 58 -12.568 4.779 -5.206 1.00 0.00 N ATOM 848 CA MET A 58 -12.372 3.799 -4.142 1.00 0.00 C ATOM 849 C MET A 58 -11.038 3.081 -4.317 1.00 0.00 C ATOM 850 O MET A 58 -10.922 2.168 -5.136 1.00 0.00 O ATOM 851 CB MET A 58 -13.513 2.781 -4.145 1.00 0.00 C ATOM 852 CG MET A 58 -14.890 3.405 -4.316 1.00 0.00 C ATOM 853 SD MET A 58 -15.574 4.010 -2.763 1.00 0.00 S ATOM 854 CE MET A 58 -15.714 2.480 -1.843 1.00 0.00 C ATOM 0 H MET A 58 -12.540 4.387 -6.147 1.00 0.00 H new ATOM 0 HA MET A 58 -12.366 4.324 -3.187 1.00 0.00 H new ATOM 0 HB2 MET A 58 -13.346 2.064 -4.949 1.00 0.00 H new ATOM 0 HB3 MET A 58 -13.491 2.221 -3.210 1.00 0.00 H new ATOM 0 HG2 MET A 58 -14.826 4.229 -5.026 1.00 0.00 H new ATOM 0 HG3 MET A 58 -15.568 2.667 -4.745 1.00 0.00 H new ATOM 0 HE1 MET A 58 -15.812 2.702 -0.780 1.00 0.00 H new ATOM 0 HE2 MET A 58 -16.593 1.931 -2.181 1.00 0.00 H new ATOM 0 HE3 MET A 58 -14.823 1.874 -2.006 1.00 0.00 H new ATOM 864 N MET A 59 -10.030 3.495 -3.554 1.00 0.00 N ATOM 865 CA MET A 59 -8.712 2.878 -3.651 1.00 0.00 C ATOM 866 C MET A 59 -7.751 3.425 -2.597 1.00 0.00 C ATOM 867 O MET A 59 -7.796 4.606 -2.249 1.00 0.00 O ATOM 868 CB MET A 59 -8.135 3.108 -5.050 1.00 0.00 C ATOM 869 CG MET A 59 -6.759 2.493 -5.258 1.00 0.00 C ATOM 870 SD MET A 59 -5.531 3.695 -5.808 1.00 0.00 S ATOM 871 CE MET A 59 -6.474 4.619 -7.020 1.00 0.00 C ATOM 0 H MET A 59 -10.099 4.247 -2.869 1.00 0.00 H new ATOM 0 HA MET A 59 -8.829 1.810 -3.470 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.822 2.695 -5.788 1.00 0.00 H new ATOM 0 HB3 MET A 59 -8.075 4.180 -5.236 1.00 0.00 H new ATOM 0 HG2 MET A 59 -6.424 2.039 -4.325 1.00 0.00 H new ATOM 0 HG3 MET A 59 -6.832 1.692 -5.994 1.00 0.00 H new ATOM 0 HE1 MET A 59 -5.793 5.171 -7.668 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.068 3.930 -7.621 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.136 5.319 -6.510 1.00 0.00 H new ATOM 881 N LEU A 60 -6.876 2.554 -2.105 1.00 0.00 N ATOM 882 CA LEU A 60 -5.885 2.929 -1.101 1.00 0.00 C ATOM 883 C LEU A 60 -4.486 2.546 -1.576 1.00 0.00 C ATOM 884 O LEU A 60 -4.265 1.427 -2.038 1.00 0.00 O ATOM 885 CB LEU A 60 -6.193 2.238 0.230 1.00 0.00 C ATOM 886 CG LEU A 60 -5.725 2.990 1.474 1.00 0.00 C ATOM 887 CD1 LEU A 60 -6.531 2.558 2.689 1.00 0.00 C ATOM 888 CD2 LEU A 60 -4.239 2.758 1.708 1.00 0.00 C ATOM 0 H LEU A 60 -6.833 1.575 -2.388 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.926 4.008 -0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.270 2.084 0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.730 1.251 0.225 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.885 4.056 1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.185 3.103 3.567 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.586 2.773 2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.400 1.488 2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.922 3.301 2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.055 1.693 1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.675 3.114 0.846 1.00 0.00 H new ATOM 900 N ARG A 61 -3.548 3.483 -1.480 1.00 0.00 N ATOM 901 CA ARG A 61 -2.177 3.233 -1.924 1.00 0.00 C ATOM 902 C ARG A 61 -1.192 3.214 -0.755 1.00 0.00 C ATOM 903 O ARG A 61 -1.084 4.182 -0.002 1.00 0.00 O ATOM 904 CB ARG A 61 -1.754 4.295 -2.942 1.00 0.00 C ATOM 905 CG ARG A 61 -1.206 3.715 -4.236 1.00 0.00 C ATOM 906 CD ARG A 61 0.314 3.673 -4.229 1.00 0.00 C ATOM 907 NE ARG A 61 0.900 4.972 -4.552 1.00 0.00 N ATOM 908 CZ ARG A 61 0.940 5.482 -5.781 1.00 0.00 C ATOM 909 NH1 ARG A 61 0.430 4.806 -6.805 1.00 0.00 N ATOM 910 NH2 ARG A 61 1.491 6.669 -5.988 1.00 0.00 N ATOM 0 H ARG A 61 -3.708 4.417 -1.102 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.158 2.248 -2.390 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.611 4.928 -3.172 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.996 4.936 -2.492 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.598 2.708 -4.379 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.550 4.314 -5.079 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.663 3.352 -3.248 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.659 2.931 -4.949 1.00 0.00 H new ATOM 0 HE ARG A 61 1.302 5.520 -3.791 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.005 3.892 -6.651 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.463 5.202 -7.745 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.885 7.192 -5.206 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.522 7.060 -6.930 1.00 0.00 H new ATOM 924 N LEU A 62 -0.457 2.111 -0.630 1.00 0.00 N ATOM 925 CA LEU A 62 0.544 1.962 0.423 1.00 0.00 C ATOM 926 C LEU A 62 1.907 2.405 -0.089 1.00 0.00 C ATOM 927 O LEU A 62 2.242 2.190 -1.254 1.00 0.00 O ATOM 928 CB LEU A 62 0.617 0.503 0.886 1.00 0.00 C ATOM 929 CG LEU A 62 -0.559 0.006 1.739 1.00 0.00 C ATOM 930 CD1 LEU A 62 -1.851 0.723 1.373 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.723 -1.498 1.573 1.00 0.00 C ATOM 0 H LEU A 62 -0.537 1.304 -1.248 1.00 0.00 H new ATOM 0 HA LEU A 62 0.256 2.587 1.268 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.695 -0.133 0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.536 0.370 1.457 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.339 0.229 2.783 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.664 0.348 1.995 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.732 1.794 1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.083 0.541 0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.559 -1.842 2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.917 -1.729 0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.190 -2.001 1.893 1.00 0.00 H new ATOM 943 N ILE A 63 2.689 3.030 0.780 1.00 0.00 N ATOM 944 CA ILE A 63 4.010 3.506 0.401 1.00 0.00 C ATOM 945 C ILE A 63 5.098 2.833 1.228 1.00 0.00 C ATOM 946 O ILE A 63 5.115 2.945 2.451 1.00 0.00 O ATOM 947 CB ILE A 63 4.131 5.033 0.573 1.00 0.00 C ATOM 948 CG1 ILE A 63 2.858 5.740 0.076 1.00 0.00 C ATOM 949 CG2 ILE A 63 5.369 5.543 -0.153 1.00 0.00 C ATOM 950 CD1 ILE A 63 2.950 6.268 -1.340 1.00 0.00 C ATOM 0 H ILE A 63 2.432 3.218 1.749 1.00 0.00 H new ATOM 0 HA ILE A 63 4.143 3.251 -0.650 1.00 0.00 H new ATOM 0 HB ILE A 63 4.239 5.261 1.633 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.022 5.043 0.138 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.632 6.569 0.746 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.446 6.623 -0.026 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.257 5.064 0.261 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.291 5.307 -1.214 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.011 6.751 -1.610 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.762 6.992 -1.406 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.143 5.442 -2.024 1.00 0.00 H new ATOM 962 N GLY A 64 6.008 2.141 0.553 1.00 0.00 N ATOM 963 CA GLY A 64 7.090 1.470 1.246 1.00 0.00 C ATOM 964 C GLY A 64 8.296 2.371 1.427 1.00 0.00 C ATOM 965 O GLY A 64 8.574 3.222 0.583 1.00 0.00 O ATOM 0 H GLY A 64 6.016 2.033 -0.461 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.741 1.132 2.222 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.382 0.581 0.687 1.00 0.00 H new ATOM 969 N LYS A 65 9.015 2.190 2.532 1.00 0.00 N ATOM 970 CA LYS A 65 10.192 3.002 2.815 1.00 0.00 C ATOM 971 C LYS A 65 11.236 2.858 1.712 1.00 0.00 C ATOM 972 O LYS A 65 11.519 1.753 1.250 1.00 0.00 O ATOM 973 CB LYS A 65 10.801 2.615 4.162 1.00 0.00 C ATOM 974 CG LYS A 65 10.036 3.167 5.352 1.00 0.00 C ATOM 975 CD LYS A 65 10.756 2.887 6.660 1.00 0.00 C ATOM 976 CE LYS A 65 9.969 3.416 7.848 1.00 0.00 C ATOM 977 NZ LYS A 65 10.852 4.075 8.850 1.00 0.00 N ATOM 0 H LYS A 65 8.803 1.490 3.243 1.00 0.00 H new ATOM 0 HA LYS A 65 9.875 4.044 2.856 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.838 1.528 4.236 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.830 2.973 4.203 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.903 4.242 5.232 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.040 2.724 5.382 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.908 1.813 6.771 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.743 3.349 6.640 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.221 4.128 7.500 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.432 2.595 8.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.277 4.422 9.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.550 3.389 9.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.346 4.875 8.405 1.00 0.00 H new ATOM 991 N VAL A 66 11.799 3.987 1.294 1.00 0.00 N ATOM 992 CA VAL A 66 12.808 3.998 0.244 1.00 0.00 C ATOM 993 C VAL A 66 14.166 3.565 0.770 1.00 0.00 C ATOM 994 O VAL A 66 14.427 3.593 1.973 1.00 0.00 O ATOM 995 CB VAL A 66 12.921 5.394 -0.405 1.00 0.00 C ATOM 996 CG1 VAL A 66 12.935 6.487 0.653 1.00 0.00 C ATOM 997 CG2 VAL A 66 14.147 5.508 -1.306 1.00 0.00 C ATOM 0 H VAL A 66 11.572 4.908 1.668 1.00 0.00 H new ATOM 0 HA VAL A 66 12.487 3.282 -0.513 1.00 0.00 H new ATOM 0 HB VAL A 66 12.039 5.527 -1.032 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.015 7.461 0.169 1.00 0.00 H new ATOM 0 HG12 VAL A 66 12.013 6.445 1.232 1.00 0.00 H new ATOM 0 HG13 VAL A 66 13.787 6.340 1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 66 14.187 6.506 -1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 66 15.048 5.332 -0.718 1.00 0.00 H new ATOM 0 HG23 VAL A 66 14.083 4.767 -2.103 1.00 0.00 H new ATOM 1007 N ASP A 67 15.026 3.174 -0.155 1.00 0.00 N ATOM 1008 CA ASP A 67 16.375 2.735 0.180 1.00 0.00 C ATOM 1009 C ASP A 67 17.346 3.913 0.154 1.00 0.00 C ATOM 1010 O ASP A 67 18.107 4.082 -0.799 1.00 0.00 O ATOM 1011 CB ASP A 67 16.841 1.652 -0.795 1.00 0.00 C ATOM 1012 CG ASP A 67 16.035 0.373 -0.667 1.00 0.00 C ATOM 1013 OD1 ASP A 67 15.340 0.208 0.357 1.00 0.00 O ATOM 1014 OD2 ASP A 67 16.100 -0.463 -1.592 1.00 0.00 O ATOM 0 H ASP A 67 14.814 3.151 -1.152 1.00 0.00 H new ATOM 0 HA ASP A 67 16.358 2.319 1.187 1.00 0.00 H new ATOM 0 HB2 ASP A 67 16.762 2.027 -1.815 1.00 0.00 H new ATOM 0 HB3 ASP A 67 17.894 1.434 -0.616 1.00 0.00 H new ATOM 1019 N GLU A 68 17.310 4.724 1.207 1.00 0.00 N ATOM 1020 CA GLU A 68 18.185 5.888 1.307 1.00 0.00 C ATOM 1021 C GLU A 68 19.653 5.477 1.362 1.00 0.00 C ATOM 1022 O GLU A 68 20.543 6.301 1.151 1.00 0.00 O ATOM 1023 CB GLU A 68 17.828 6.714 2.544 1.00 0.00 C ATOM 1024 CG GLU A 68 16.424 7.296 2.502 1.00 0.00 C ATOM 1025 CD GLU A 68 16.114 8.165 3.705 1.00 0.00 C ATOM 1026 OE1 GLU A 68 16.897 8.131 4.678 1.00 0.00 O ATOM 1027 OE2 GLU A 68 15.090 8.879 3.675 1.00 0.00 O ATOM 0 H GLU A 68 16.685 4.597 2.003 1.00 0.00 H new ATOM 0 HA GLU A 68 18.036 6.494 0.414 1.00 0.00 H new ATOM 0 HB2 GLU A 68 17.926 6.087 3.430 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.547 7.527 2.648 1.00 0.00 H new ATOM 0 HG2 GLU A 68 16.307 7.886 1.593 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.700 6.483 2.450 1.00 0.00 H new ATOM 1034 N SER A 69 19.906 4.202 1.642 1.00 0.00 N ATOM 1035 CA SER A 69 21.270 3.691 1.720 1.00 0.00 C ATOM 1036 C SER A 69 22.039 3.981 0.434 1.00 0.00 C ATOM 1037 O SER A 69 23.270 4.009 0.428 1.00 0.00 O ATOM 1038 CB SER A 69 21.260 2.186 1.993 1.00 0.00 C ATOM 1039 OG SER A 69 20.533 1.888 3.174 1.00 0.00 O ATOM 0 H SER A 69 19.184 3.504 1.819 1.00 0.00 H new ATOM 0 HA SER A 69 21.772 4.200 2.543 1.00 0.00 H new ATOM 0 HB2 SER A 69 20.816 1.662 1.147 1.00 0.00 H new ATOM 0 HB3 SER A 69 22.283 1.824 2.091 1.00 0.00 H new ATOM 0 HG SER A 69 20.539 0.920 3.327 1.00 0.00 H new ATOM 1045 N LYS A 70 21.307 4.199 -0.653 1.00 0.00 N ATOM 1046 CA LYS A 70 21.922 4.490 -1.942 1.00 0.00 C ATOM 1047 C LYS A 70 22.372 5.946 -2.013 1.00 0.00 C ATOM 1048 O LYS A 70 23.568 6.236 -2.042 1.00 0.00 O ATOM 1049 CB LYS A 70 20.942 4.191 -3.078 1.00 0.00 C ATOM 1050 CG LYS A 70 20.430 2.760 -3.078 1.00 0.00 C ATOM 1051 CD LYS A 70 21.560 1.763 -3.274 1.00 0.00 C ATOM 1052 CE LYS A 70 21.033 0.345 -3.433 1.00 0.00 C ATOM 1053 NZ LYS A 70 20.986 -0.073 -4.862 1.00 0.00 N ATOM 0 H LYS A 70 20.287 4.180 -0.667 1.00 0.00 H new ATOM 0 HA LYS A 70 22.799 3.851 -2.051 1.00 0.00 H new ATOM 0 HB2 LYS A 70 20.094 4.872 -3.004 1.00 0.00 H new ATOM 0 HB3 LYS A 70 21.431 4.393 -4.031 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.922 2.555 -2.136 1.00 0.00 H new ATOM 0 HG3 LYS A 70 19.693 2.636 -3.871 1.00 0.00 H new ATOM 0 HD2 LYS A 70 22.140 2.038 -4.155 1.00 0.00 H new ATOM 0 HD3 LYS A 70 22.237 1.807 -2.421 1.00 0.00 H new ATOM 0 HE2 LYS A 70 21.668 -0.343 -2.874 1.00 0.00 H new ATOM 0 HE3 LYS A 70 20.034 0.279 -3.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 20.621 -1.045 -4.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 20.361 0.568 -5.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 21.943 -0.034 -5.267 1.00 0.00 H new ATOM 1067 N LYS A 71 21.405 6.857 -2.037 1.00 0.00 N ATOM 1068 CA LYS A 71 21.700 8.282 -2.102 1.00 0.00 C ATOM 1069 C LYS A 71 22.492 8.619 -3.361 1.00 0.00 C ATOM 1070 O LYS A 71 23.721 8.550 -3.372 1.00 0.00 O ATOM 1071 CB LYS A 71 22.482 8.721 -0.863 1.00 0.00 C ATOM 1072 CG LYS A 71 21.600 9.015 0.340 1.00 0.00 C ATOM 1073 CD LYS A 71 21.991 10.321 1.013 1.00 0.00 C ATOM 1074 CE LYS A 71 21.119 10.605 2.227 1.00 0.00 C ATOM 1075 NZ LYS A 71 21.793 10.215 3.496 1.00 0.00 N ATOM 0 H LYS A 71 20.410 6.633 -2.012 1.00 0.00 H new ATOM 0 HA LYS A 71 20.753 8.820 -2.135 1.00 0.00 H new ATOM 0 HB2 LYS A 71 23.195 7.940 -0.598 1.00 0.00 H new ATOM 0 HB3 LYS A 71 23.061 9.612 -1.106 1.00 0.00 H new ATOM 0 HG2 LYS A 71 20.558 9.065 0.025 1.00 0.00 H new ATOM 0 HG3 LYS A 71 21.677 8.198 1.057 1.00 0.00 H new ATOM 0 HD2 LYS A 71 23.037 10.276 1.317 1.00 0.00 H new ATOM 0 HD3 LYS A 71 21.902 11.140 0.300 1.00 0.00 H new ATOM 0 HE2 LYS A 71 20.873 11.666 2.257 1.00 0.00 H new ATOM 0 HE3 LYS A 71 20.178 10.062 2.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 21.167 10.424 4.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 22.005 9.197 3.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 22.678 10.751 3.598 1.00 0.00 H new ATOM 1089 N ARG A 72 21.779 8.992 -4.419 1.00 0.00 N ATOM 1090 CA ARG A 72 22.415 9.348 -5.681 1.00 0.00 C ATOM 1091 C ARG A 72 22.650 10.851 -5.752 1.00 0.00 C ATOM 1092 O ARG A 72 22.366 11.574 -4.799 1.00 0.00 O ATOM 1093 CB ARG A 72 21.551 8.897 -6.859 1.00 0.00 C ATOM 1094 CG ARG A 72 21.436 7.386 -6.983 1.00 0.00 C ATOM 1095 CD ARG A 72 21.589 6.932 -8.425 1.00 0.00 C ATOM 1096 NE ARG A 72 20.372 7.153 -9.201 1.00 0.00 N ATOM 1097 CZ ARG A 72 19.300 6.365 -9.142 1.00 0.00 C ATOM 1098 NH1 ARG A 72 19.292 5.304 -8.344 1.00 0.00 N ATOM 1099 NH2 ARG A 72 18.234 6.640 -9.881 1.00 0.00 N ATOM 0 H ARG A 72 20.761 9.055 -4.427 1.00 0.00 H new ATOM 0 HA ARG A 72 23.377 8.839 -5.736 1.00 0.00 H new ATOM 0 HB2 ARG A 72 20.553 9.322 -6.751 1.00 0.00 H new ATOM 0 HB3 ARG A 72 21.970 9.299 -7.782 1.00 0.00 H new ATOM 0 HG2 ARG A 72 22.200 6.910 -6.368 1.00 0.00 H new ATOM 0 HG3 ARG A 72 20.469 7.061 -6.599 1.00 0.00 H new ATOM 0 HD2 ARG A 72 22.417 7.469 -8.888 1.00 0.00 H new ATOM 0 HD3 ARG A 72 21.845 5.873 -8.446 1.00 0.00 H new ATOM 0 HE ARG A 72 20.341 7.959 -9.825 1.00 0.00 H new ATOM 0 HH11 ARG A 72 20.109 5.089 -7.773 1.00 0.00 H new ATOM 0 HH12 ARG A 72 18.469 4.703 -8.302 1.00 0.00 H new ATOM 0 HH21 ARG A 72 18.235 7.455 -10.494 1.00 0.00 H new ATOM 0 HH22 ARG A 72 17.413 6.037 -9.836 1.00 0.00 H new ATOM 1113 N LYS A 73 23.169 11.320 -6.881 1.00 0.00 N ATOM 1114 CA LYS A 73 23.430 12.744 -7.058 1.00 0.00 C ATOM 1115 C LYS A 73 22.758 13.274 -8.319 1.00 0.00 C ATOM 1116 O LYS A 73 22.520 12.530 -9.271 1.00 0.00 O ATOM 1117 CB LYS A 73 24.934 13.014 -7.114 1.00 0.00 C ATOM 1118 CG LYS A 73 25.688 12.513 -5.893 1.00 0.00 C ATOM 1119 CD LYS A 73 26.576 13.597 -5.305 1.00 0.00 C ATOM 1120 CE LYS A 73 27.773 13.003 -4.578 1.00 0.00 C ATOM 1121 NZ LYS A 73 28.880 13.989 -4.434 1.00 0.00 N ATOM 0 H LYS A 73 23.416 10.740 -7.683 1.00 0.00 H new ATOM 0 HA LYS A 73 23.009 13.267 -6.199 1.00 0.00 H new ATOM 0 HB2 LYS A 73 25.347 12.541 -8.005 1.00 0.00 H new ATOM 0 HB3 LYS A 73 25.099 14.087 -7.217 1.00 0.00 H new ATOM 0 HG2 LYS A 73 24.978 12.174 -5.139 1.00 0.00 H new ATOM 0 HG3 LYS A 73 26.297 11.652 -6.168 1.00 0.00 H new ATOM 0 HD2 LYS A 73 26.923 14.256 -6.101 1.00 0.00 H new ATOM 0 HD3 LYS A 73 25.996 14.209 -4.614 1.00 0.00 H new ATOM 0 HE2 LYS A 73 27.464 12.657 -3.592 1.00 0.00 H new ATOM 0 HE3 LYS A 73 28.133 12.130 -5.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 29.677 13.546 -3.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 29.193 14.300 -5.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 28.545 14.811 -3.892 1.00 0.00 H new ATOM 1135 N ASP A 74 22.456 14.569 -8.319 1.00 0.00 N ATOM 1136 CA ASP A 74 21.815 15.205 -9.463 1.00 0.00 C ATOM 1137 C ASP A 74 22.855 15.675 -10.475 1.00 0.00 C ATOM 1138 O ASP A 74 24.052 15.695 -10.185 1.00 0.00 O ATOM 1139 CB ASP A 74 20.962 16.389 -9.002 1.00 0.00 C ATOM 1140 CG ASP A 74 19.902 16.770 -10.018 1.00 0.00 C ATOM 1141 OD1 ASP A 74 18.824 16.141 -10.014 1.00 0.00 O ATOM 1142 OD2 ASP A 74 20.151 17.697 -10.817 1.00 0.00 O ATOM 0 H ASP A 74 22.645 15.198 -7.539 1.00 0.00 H new ATOM 0 HA ASP A 74 21.172 14.469 -9.945 1.00 0.00 H new ATOM 0 HB2 ASP A 74 20.481 16.140 -8.056 1.00 0.00 H new ATOM 0 HB3 ASP A 74 21.608 17.247 -8.816 1.00 0.00 H new ATOM 1147 N ASN A 75 22.393 16.052 -11.661 1.00 0.00 N ATOM 1148 CA ASN A 75 23.284 16.521 -12.716 1.00 0.00 C ATOM 1149 C ASN A 75 24.092 17.735 -12.264 1.00 0.00 C ATOM 1150 O ASN A 75 25.139 18.041 -12.831 1.00 0.00 O ATOM 1151 CB ASN A 75 22.484 16.867 -13.973 1.00 0.00 C ATOM 1152 CG ASN A 75 21.797 15.655 -14.573 1.00 0.00 C ATOM 1153 OD1 ASN A 75 22.161 14.515 -14.284 1.00 0.00 O ATOM 1154 ND2 ASN A 75 20.799 15.897 -15.415 1.00 0.00 N ATOM 0 H ASN A 75 21.406 16.042 -11.917 1.00 0.00 H new ATOM 0 HA ASN A 75 23.981 15.715 -12.944 1.00 0.00 H new ATOM 0 HB2 ASN A 75 21.736 17.621 -13.728 1.00 0.00 H new ATOM 0 HB3 ASN A 75 23.150 17.308 -14.715 1.00 0.00 H new ATOM 0 HD21 ASN A 75 20.300 15.121 -15.851 1.00 0.00 H new ATOM 0 HD22 ASN A 75 20.531 16.858 -15.626 1.00 0.00 H new ATOM 1161 N GLU A 76 23.597 18.425 -11.242 1.00 0.00 N ATOM 1162 CA GLU A 76 24.274 19.606 -10.718 1.00 0.00 C ATOM 1163 C GLU A 76 25.245 19.246 -9.594 1.00 0.00 C ATOM 1164 O GLU A 76 25.800 20.126 -8.939 1.00 0.00 O ATOM 1165 CB GLU A 76 23.249 20.622 -10.212 1.00 0.00 C ATOM 1166 CG GLU A 76 22.291 21.108 -11.286 1.00 0.00 C ATOM 1167 CD GLU A 76 21.331 22.167 -10.779 1.00 0.00 C ATOM 1168 OE1 GLU A 76 21.249 22.354 -9.546 1.00 0.00 O ATOM 1169 OE2 GLU A 76 20.658 22.809 -11.614 1.00 0.00 O ATOM 0 H GLU A 76 22.730 18.187 -10.760 1.00 0.00 H new ATOM 0 HA GLU A 76 24.849 20.045 -11.533 1.00 0.00 H new ATOM 0 HB2 GLU A 76 22.675 20.173 -9.401 1.00 0.00 H new ATOM 0 HB3 GLU A 76 23.776 21.479 -9.793 1.00 0.00 H new ATOM 0 HG2 GLU A 76 22.863 21.512 -12.121 1.00 0.00 H new ATOM 0 HG3 GLU A 76 21.722 20.261 -11.669 1.00 0.00 H new ATOM 1176 N GLY A 77 25.446 17.948 -9.372 1.00 0.00 N ATOM 1177 CA GLY A 77 26.350 17.511 -8.324 1.00 0.00 C ATOM 1178 C GLY A 77 25.655 17.330 -6.987 1.00 0.00 C ATOM 1179 O GLY A 77 26.226 16.761 -6.058 1.00 0.00 O ATOM 0 H GLY A 77 25.001 17.196 -9.897 1.00 0.00 H new ATOM 0 HA2 GLY A 77 26.812 16.569 -8.619 1.00 0.00 H new ATOM 0 HA3 GLY A 77 27.153 18.240 -8.215 1.00 0.00 H new ATOM 1183 N ASN A 78 24.420 17.815 -6.887 1.00 0.00 N ATOM 1184 CA ASN A 78 23.653 17.699 -5.653 1.00 0.00 C ATOM 1185 C ASN A 78 23.316 16.241 -5.359 1.00 0.00 C ATOM 1186 O ASN A 78 23.613 15.355 -6.156 1.00 0.00 O ATOM 1187 CB ASN A 78 22.367 18.522 -5.748 1.00 0.00 C ATOM 1188 CG ASN A 78 22.638 19.985 -6.040 1.00 0.00 C ATOM 1189 OD1 ASN A 78 23.459 20.621 -5.377 1.00 0.00 O ATOM 1190 ND2 ASN A 78 21.947 20.526 -7.036 1.00 0.00 N ATOM 0 H ASN A 78 23.931 18.291 -7.645 1.00 0.00 H new ATOM 0 HA ASN A 78 24.264 18.085 -4.837 1.00 0.00 H new ATOM 0 HB2 ASN A 78 21.732 18.109 -6.532 1.00 0.00 H new ATOM 0 HB3 ASN A 78 21.814 18.437 -4.812 1.00 0.00 H new ATOM 0 HD21 ASN A 78 22.086 21.507 -7.279 1.00 0.00 H new ATOM 0 HD22 ASN A 78 21.277 19.961 -7.558 1.00 0.00 H new ATOM 1197 N GLU A 79 22.697 16.002 -4.208 1.00 0.00 N ATOM 1198 CA GLU A 79 22.319 14.651 -3.806 1.00 0.00 C ATOM 1199 C GLU A 79 20.861 14.366 -4.156 1.00 0.00 C ATOM 1200 O GLU A 79 20.089 15.285 -4.430 1.00 0.00 O ATOM 1201 CB GLU A 79 22.540 14.462 -2.304 1.00 0.00 C ATOM 1202 CG GLU A 79 23.982 14.676 -1.870 1.00 0.00 C ATOM 1203 CD GLU A 79 24.193 14.410 -0.392 1.00 0.00 C ATOM 1204 OE1 GLU A 79 23.187 14.289 0.340 1.00 0.00 O ATOM 1205 OE2 GLU A 79 25.363 14.324 0.034 1.00 0.00 O ATOM 0 H GLU A 79 22.446 16.727 -3.536 1.00 0.00 H new ATOM 0 HA GLU A 79 22.949 13.948 -4.351 1.00 0.00 H new ATOM 0 HB2 GLU A 79 21.899 15.156 -1.761 1.00 0.00 H new ATOM 0 HB3 GLU A 79 22.230 13.455 -2.023 1.00 0.00 H new ATOM 0 HG2 GLU A 79 24.633 14.021 -2.450 1.00 0.00 H new ATOM 0 HG3 GLU A 79 24.277 15.700 -2.097 1.00 0.00 H new ATOM 1212 N VAL A 80 20.495 13.088 -4.151 1.00 0.00 N ATOM 1213 CA VAL A 80 19.132 12.683 -4.472 1.00 0.00 C ATOM 1214 C VAL A 80 18.612 11.635 -3.507 1.00 0.00 C ATOM 1215 O VAL A 80 19.377 10.896 -2.885 1.00 0.00 O ATOM 1216 CB VAL A 80 19.029 12.099 -5.885 1.00 0.00 C ATOM 1217 CG1 VAL A 80 17.575 11.850 -6.278 1.00 0.00 C ATOM 1218 CG2 VAL A 80 19.727 12.997 -6.895 1.00 0.00 C ATOM 0 H VAL A 80 21.123 12.316 -3.928 1.00 0.00 H new ATOM 0 HA VAL A 80 18.532 13.590 -4.397 1.00 0.00 H new ATOM 0 HB VAL A 80 19.537 11.135 -5.886 1.00 0.00 H new ATOM 0 HG11 VAL A 80 17.536 11.436 -7.285 1.00 0.00 H new ATOM 0 HG12 VAL A 80 17.125 11.146 -5.579 1.00 0.00 H new ATOM 0 HG13 VAL A 80 17.025 12.790 -6.251 1.00 0.00 H new ATOM 0 HG21 VAL A 80 19.640 12.561 -7.890 1.00 0.00 H new ATOM 0 HG22 VAL A 80 19.261 13.983 -6.888 1.00 0.00 H new ATOM 0 HG23 VAL A 80 20.780 13.092 -6.631 1.00 0.00 H new ATOM 1228 N VAL A 81 17.297 11.555 -3.432 1.00 0.00 N ATOM 1229 CA VAL A 81 16.626 10.577 -2.601 1.00 0.00 C ATOM 1230 C VAL A 81 15.670 9.780 -3.476 1.00 0.00 C ATOM 1231 O VAL A 81 14.567 10.238 -3.777 1.00 0.00 O ATOM 1232 CB VAL A 81 15.840 11.236 -1.451 1.00 0.00 C ATOM 1233 CG1 VAL A 81 15.363 10.187 -0.459 1.00 0.00 C ATOM 1234 CG2 VAL A 81 16.692 12.288 -0.758 1.00 0.00 C ATOM 0 H VAL A 81 16.664 12.168 -3.947 1.00 0.00 H new ATOM 0 HA VAL A 81 17.380 9.930 -2.151 1.00 0.00 H new ATOM 0 HB VAL A 81 14.963 11.729 -1.870 1.00 0.00 H new ATOM 0 HG11 VAL A 81 14.810 10.672 0.346 1.00 0.00 H new ATOM 0 HG12 VAL A 81 14.714 9.474 -0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 81 16.223 9.662 -0.043 1.00 0.00 H new ATOM 0 HG21 VAL A 81 16.121 12.743 0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.588 11.820 -0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 81 16.978 13.056 -1.477 1.00 0.00 H new ATOM 1244 N PRO A 82 16.088 8.589 -3.929 1.00 0.00 N ATOM 1245 CA PRO A 82 15.268 7.757 -4.805 1.00 0.00 C ATOM 1246 C PRO A 82 13.818 7.666 -4.339 1.00 0.00 C ATOM 1247 O PRO A 82 13.494 8.038 -3.211 1.00 0.00 O ATOM 1248 CB PRO A 82 15.950 6.394 -4.730 1.00 0.00 C ATOM 1249 CG PRO A 82 17.384 6.709 -4.474 1.00 0.00 C ATOM 1250 CD PRO A 82 17.400 7.973 -3.653 1.00 0.00 C ATOM 0 HA PRO A 82 15.206 8.162 -5.815 1.00 0.00 H new ATOM 0 HB2 PRO A 82 15.529 5.783 -3.932 1.00 0.00 H new ATOM 0 HB3 PRO A 82 15.826 5.836 -5.658 1.00 0.00 H new ATOM 0 HG2 PRO A 82 17.872 5.893 -3.941 1.00 0.00 H new ATOM 0 HG3 PRO A 82 17.925 6.847 -5.410 1.00 0.00 H new ATOM 0 HD2 PRO A 82 17.526 7.759 -2.592 1.00 0.00 H new ATOM 0 HD3 PRO A 82 18.220 8.629 -3.945 1.00 0.00 H new ATOM 1258 N LYS A 83 12.947 7.173 -5.214 1.00 0.00 N ATOM 1259 CA LYS A 83 11.531 7.041 -4.888 1.00 0.00 C ATOM 1260 C LYS A 83 11.262 5.738 -4.143 1.00 0.00 C ATOM 1261 O LYS A 83 11.801 4.687 -4.491 1.00 0.00 O ATOM 1262 CB LYS A 83 10.682 7.106 -6.157 1.00 0.00 C ATOM 1263 CG LYS A 83 10.943 8.342 -7.002 1.00 0.00 C ATOM 1264 CD LYS A 83 10.755 8.055 -8.483 1.00 0.00 C ATOM 1265 CE LYS A 83 12.086 7.804 -9.175 1.00 0.00 C ATOM 1266 NZ LYS A 83 12.587 9.018 -9.874 1.00 0.00 N ATOM 0 H LYS A 83 13.196 6.859 -6.152 1.00 0.00 H new ATOM 0 HA LYS A 83 11.256 7.871 -4.237 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.875 6.218 -6.759 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.628 7.081 -5.880 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.268 9.142 -6.697 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.958 8.697 -6.825 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.109 7.186 -8.607 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.250 8.897 -8.957 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.822 7.479 -8.439 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.974 6.992 -9.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.496 8.804 -10.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.897 9.314 -10.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.719 9.786 -9.185 1.00 0.00 H new ATOM 1280 N PRO A 84 10.429 5.799 -3.090 1.00 0.00 N ATOM 1281 CA PRO A 84 10.088 4.639 -2.265 1.00 0.00 C ATOM 1282 C PRO A 84 9.090 3.708 -2.946 1.00 0.00 C ATOM 1283 O PRO A 84 8.456 4.078 -3.934 1.00 0.00 O ATOM 1284 CB PRO A 84 9.468 5.265 -1.008 1.00 0.00 C ATOM 1285 CG PRO A 84 9.745 6.723 -1.130 1.00 0.00 C ATOM 1286 CD PRO A 84 9.767 7.002 -2.591 1.00 0.00 C ATOM 0 HA PRO A 84 10.959 4.016 -2.063 1.00 0.00 H new ATOM 0 HB2 PRO A 84 8.397 5.069 -0.956 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.911 4.853 -0.102 1.00 0.00 H new ATOM 0 HG2 PRO A 84 8.976 7.312 -0.629 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.697 6.982 -0.667 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.765 7.124 -3.004 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.323 7.909 -2.830 1.00 0.00 H new ATOM 1294 N GLN A 85 8.951 2.502 -2.407 1.00 0.00 N ATOM 1295 CA GLN A 85 8.022 1.521 -2.959 1.00 0.00 C ATOM 1296 C GLN A 85 6.584 2.002 -2.807 1.00 0.00 C ATOM 1297 O GLN A 85 6.282 2.819 -1.937 1.00 0.00 O ATOM 1298 CB GLN A 85 8.199 0.169 -2.265 1.00 0.00 C ATOM 1299 CG GLN A 85 9.198 -0.743 -2.956 1.00 0.00 C ATOM 1300 CD GLN A 85 10.543 -0.770 -2.257 1.00 0.00 C ATOM 1301 OE1 GLN A 85 10.644 -1.167 -1.095 1.00 0.00 O ATOM 1302 NE2 GLN A 85 11.585 -0.346 -2.962 1.00 0.00 N ATOM 0 H GLN A 85 9.469 2.180 -1.589 1.00 0.00 H new ATOM 0 HA GLN A 85 8.240 1.402 -4.020 1.00 0.00 H new ATOM 0 HB2 GLN A 85 8.523 0.337 -1.238 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.233 -0.334 -2.216 1.00 0.00 H new ATOM 0 HG2 GLN A 85 8.793 -1.754 -2.997 1.00 0.00 H new ATOM 0 HG3 GLN A 85 9.334 -0.413 -3.986 1.00 0.00 H new ATOM 0 HE21 GLN A 85 11.455 -0.026 -3.922 1.00 0.00 H new ATOM 0 HE22 GLN A 85 12.515 -0.340 -2.544 1.00 0.00 H new ATOM 1311 N ARG A 86 5.696 1.496 -3.658 1.00 0.00 N ATOM 1312 CA ARG A 86 4.292 1.882 -3.608 1.00 0.00 C ATOM 1313 C ARG A 86 3.389 0.735 -4.055 1.00 0.00 C ATOM 1314 O ARG A 86 3.636 0.101 -5.080 1.00 0.00 O ATOM 1315 CB ARG A 86 4.051 3.106 -4.495 1.00 0.00 C ATOM 1316 CG ARG A 86 4.898 4.308 -4.114 1.00 0.00 C ATOM 1317 CD ARG A 86 4.510 5.540 -4.917 1.00 0.00 C ATOM 1318 NE ARG A 86 4.638 5.319 -6.356 1.00 0.00 N ATOM 1319 CZ ARG A 86 4.564 6.288 -7.263 1.00 0.00 C ATOM 1320 NH1 ARG A 86 4.361 7.544 -6.888 1.00 0.00 N ATOM 1321 NH2 ARG A 86 4.692 6.001 -8.553 1.00 0.00 N ATOM 0 H ARG A 86 5.924 0.820 -4.387 1.00 0.00 H new ATOM 0 HA ARG A 86 4.047 2.129 -2.575 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.258 2.840 -5.532 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.998 3.382 -4.441 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.781 4.514 -3.050 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.951 4.080 -4.281 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.482 5.816 -4.683 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.141 6.379 -4.622 1.00 0.00 H new ATOM 0 HE ARG A 86 4.793 4.366 -6.683 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.261 7.771 -5.899 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.305 8.283 -7.589 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.847 5.037 -8.848 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.635 6.745 -9.249 1.00 0.00 H new ATOM 1335 N HIS A 87 2.335 0.480 -3.285 1.00 0.00 N ATOM 1336 CA HIS A 87 1.388 -0.583 -3.605 1.00 0.00 C ATOM 1337 C HIS A 87 0.007 -0.001 -3.887 1.00 0.00 C ATOM 1338 O HIS A 87 -0.298 1.118 -3.473 1.00 0.00 O ATOM 1339 CB HIS A 87 1.300 -1.593 -2.459 1.00 0.00 C ATOM 1340 CG HIS A 87 2.633 -2.082 -1.983 1.00 0.00 C ATOM 1341 ND1 HIS A 87 3.225 -3.233 -2.457 1.00 0.00 N ATOM 1342 CD2 HIS A 87 3.486 -1.573 -1.063 1.00 0.00 C ATOM 1343 CE1 HIS A 87 4.384 -3.412 -1.850 1.00 0.00 C ATOM 1344 NE2 HIS A 87 4.567 -2.418 -1.000 1.00 0.00 N ATOM 0 H HIS A 87 2.115 0.996 -2.433 1.00 0.00 H new ATOM 0 HA HIS A 87 1.746 -1.096 -4.498 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.771 -1.135 -1.623 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.705 -2.446 -2.784 1.00 0.00 H new ATOM 0 HD2 HIS A 87 3.343 -0.671 -0.486 1.00 0.00 H new ATOM 0 HE1 HIS A 87 5.066 -4.232 -2.020 1.00 0.00 H new ATOM 0 HE2 HIS A 87 5.379 -2.297 -0.395 1.00 0.00 H new ATOM 1353 N MET A 88 -0.825 -0.758 -4.591 1.00 0.00 N ATOM 1354 CA MET A 88 -2.172 -0.303 -4.923 1.00 0.00 C ATOM 1355 C MET A 88 -3.225 -1.310 -4.474 1.00 0.00 C ATOM 1356 O MET A 88 -3.024 -2.521 -4.566 1.00 0.00 O ATOM 1357 CB MET A 88 -2.294 -0.059 -6.429 1.00 0.00 C ATOM 1358 CG MET A 88 -3.624 0.551 -6.840 1.00 0.00 C ATOM 1359 SD MET A 88 -3.785 0.727 -8.626 1.00 0.00 S ATOM 1360 CE MET A 88 -5.371 1.550 -8.744 1.00 0.00 C ATOM 0 H MET A 88 -0.593 -1.687 -4.943 1.00 0.00 H new ATOM 0 HA MET A 88 -2.347 0.632 -4.391 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.487 0.600 -6.748 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.160 -1.005 -6.954 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.436 -0.072 -6.466 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.731 1.529 -6.371 1.00 0.00 H new ATOM 0 HE1 MET A 88 -5.736 1.492 -9.770 1.00 0.00 H new ATOM 0 HE2 MET A 88 -6.083 1.064 -8.077 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.260 2.596 -8.457 1.00 0.00 H new ATOM 1370 N PHE A 89 -4.351 -0.794 -3.992 1.00 0.00 N ATOM 1371 CA PHE A 89 -5.447 -1.638 -3.529 1.00 0.00 C ATOM 1372 C PHE A 89 -6.782 -0.915 -3.686 1.00 0.00 C ATOM 1373 O PHE A 89 -6.952 0.201 -3.198 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.236 -2.031 -2.066 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.026 -2.893 -1.844 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -2.782 -2.322 -1.628 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -4.133 -4.274 -1.851 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -1.667 -3.114 -1.422 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -3.021 -5.071 -1.646 1.00 0.00 C ATOM 1380 CZ PHE A 89 -1.787 -4.490 -1.431 1.00 0.00 C ATOM 0 H PHE A 89 -4.529 0.207 -3.912 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.464 -2.542 -4.138 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.143 -1.126 -1.465 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.120 -2.561 -1.710 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.682 -1.247 -1.620 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.096 -4.734 -2.018 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.703 -2.657 -1.254 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.118 -6.147 -1.654 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.918 -5.110 -1.270 1.00 0.00 H new ATOM 1390 N SER A 90 -7.723 -1.554 -4.372 1.00 0.00 N ATOM 1391 CA SER A 90 -9.038 -0.962 -4.592 1.00 0.00 C ATOM 1392 C SER A 90 -10.075 -1.556 -3.645 1.00 0.00 C ATOM 1393 O SER A 90 -10.046 -2.747 -3.341 1.00 0.00 O ATOM 1394 CB SER A 90 -9.476 -1.166 -6.044 1.00 0.00 C ATOM 1395 OG SER A 90 -10.868 -0.945 -6.193 1.00 0.00 O ATOM 0 H SER A 90 -7.601 -2.479 -4.784 1.00 0.00 H new ATOM 0 HA SER A 90 -8.963 0.106 -4.388 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.925 -0.485 -6.692 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.229 -2.179 -6.363 1.00 0.00 H new ATOM 0 HG SER A 90 -11.084 -0.026 -5.929 1.00 0.00 H new ATOM 1401 N PHE A 91 -10.995 -0.715 -3.182 1.00 0.00 N ATOM 1402 CA PHE A 91 -12.045 -1.154 -2.271 1.00 0.00 C ATOM 1403 C PHE A 91 -13.413 -0.695 -2.765 1.00 0.00 C ATOM 1404 O PHE A 91 -13.511 0.070 -3.724 1.00 0.00 O ATOM 1405 CB PHE A 91 -11.795 -0.610 -0.864 1.00 0.00 C ATOM 1406 CG PHE A 91 -10.442 -0.952 -0.312 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -9.331 -0.194 -0.646 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -10.281 -2.027 0.548 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -8.086 -0.501 -0.135 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -9.037 -2.339 1.063 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.938 -1.574 0.720 1.00 0.00 C ATOM 0 H PHE A 91 -11.034 0.275 -3.423 1.00 0.00 H new ATOM 0 HA PHE A 91 -12.030 -2.243 -2.238 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -11.907 0.474 -0.879 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -12.560 -1.000 -0.193 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -9.441 0.647 -1.314 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -11.137 -2.627 0.819 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.229 0.098 -0.404 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.924 -3.179 1.732 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.965 -1.816 1.121 1.00 0.00 H new ATOM 1421 N ASN A 92 -14.465 -1.164 -2.104 1.00 0.00 N ATOM 1422 CA ASN A 92 -15.825 -0.794 -2.478 1.00 0.00 C ATOM 1423 C ASN A 92 -16.639 -0.377 -1.256 1.00 0.00 C ATOM 1424 O ASN A 92 -17.867 -0.439 -1.268 1.00 0.00 O ATOM 1425 CB ASN A 92 -16.516 -1.956 -3.187 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.752 -2.426 -4.410 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -15.225 -1.618 -5.175 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -15.685 -3.739 -4.598 1.00 0.00 N ATOM 0 H ASN A 92 -14.403 -1.799 -1.309 1.00 0.00 H new ATOM 0 HA ASN A 92 -15.764 0.056 -3.157 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -16.628 -2.787 -2.491 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -17.519 -1.651 -3.484 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.182 -4.114 -5.402 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.137 -4.372 -3.938 1.00 0.00 H new ATOM 1435 N ASN A 93 -15.948 0.051 -0.202 1.00 0.00 N ATOM 1436 CA ASN A 93 -16.614 0.479 1.023 1.00 0.00 C ATOM 1437 C ASN A 93 -15.751 1.473 1.790 1.00 0.00 C ATOM 1438 O ASN A 93 -14.658 1.137 2.248 1.00 0.00 O ATOM 1439 CB ASN A 93 -16.928 -0.731 1.905 1.00 0.00 C ATOM 1440 CG ASN A 93 -17.918 -1.678 1.259 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -18.981 -1.265 0.795 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -17.572 -2.961 1.223 1.00 0.00 N ATOM 0 H ASN A 93 -14.930 0.110 -0.173 1.00 0.00 H new ATOM 0 HA ASN A 93 -17.547 0.972 0.749 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -16.005 -1.268 2.122 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -17.328 -0.387 2.859 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -18.197 -3.646 0.799 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -16.681 -3.260 1.619 1.00 0.00 H new ATOM 1449 N ARG A 94 -16.248 2.699 1.932 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.520 3.739 2.649 1.00 0.00 C ATOM 1451 C ARG A 94 -15.217 3.300 4.075 1.00 0.00 C ATOM 1452 O ARG A 94 -14.196 3.678 4.652 1.00 0.00 O ATOM 1453 CB ARG A 94 -16.322 5.040 2.660 1.00 0.00 C ATOM 1454 CG ARG A 94 -16.600 5.594 1.271 1.00 0.00 C ATOM 1455 CD ARG A 94 -16.366 7.095 1.214 1.00 0.00 C ATOM 1456 NE ARG A 94 -16.970 7.698 0.028 1.00 0.00 N ATOM 1457 CZ ARG A 94 -18.276 7.921 -0.107 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -19.116 7.594 0.866 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -18.742 8.474 -1.219 1.00 0.00 N ATOM 0 H ARG A 94 -17.151 2.995 1.560 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.576 3.911 2.132 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.270 4.869 3.170 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -15.779 5.787 3.238 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -15.958 5.097 0.544 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -17.630 5.374 0.990 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -16.780 7.561 2.108 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.295 7.295 1.217 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.355 7.964 -0.742 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -18.763 7.169 1.723 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -20.115 7.767 0.757 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.100 8.728 -1.970 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.742 8.645 -1.323 1.00 0.00 H new ATOM 1473 N THR A 95 -16.107 2.494 4.630 1.00 0.00 N ATOM 1474 CA THR A 95 -15.957 1.988 5.973 1.00 0.00 C ATOM 1475 C THR A 95 -14.755 1.056 6.067 1.00 0.00 C ATOM 1476 O THR A 95 -13.859 1.264 6.883 1.00 0.00 O ATOM 1477 CB THR A 95 -17.228 1.258 6.362 1.00 0.00 C ATOM 1478 OG1 THR A 95 -18.304 1.630 5.516 1.00 0.00 O ATOM 1479 CG2 THR A 95 -17.654 1.522 7.781 1.00 0.00 C ATOM 0 H THR A 95 -16.953 2.175 4.157 1.00 0.00 H new ATOM 0 HA THR A 95 -15.786 2.818 6.658 1.00 0.00 H new ATOM 0 HB THR A 95 -16.993 0.199 6.258 1.00 0.00 H new ATOM 0 HG1 THR A 95 -19.113 1.146 5.784 1.00 0.00 H new ATOM 0 HG21 THR A 95 -18.569 0.970 7.995 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.868 1.199 8.463 1.00 0.00 H new ATOM 0 HG23 THR A 95 -17.834 2.589 7.914 1.00 0.00 H new ATOM 1487 N VAL A 96 -14.738 0.035 5.214 1.00 0.00 N ATOM 1488 CA VAL A 96 -13.638 -0.918 5.193 1.00 0.00 C ATOM 1489 C VAL A 96 -12.335 -0.209 4.849 1.00 0.00 C ATOM 1490 O VAL A 96 -11.277 -0.525 5.394 1.00 0.00 O ATOM 1491 CB VAL A 96 -13.890 -2.045 4.172 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -12.749 -3.052 4.186 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -15.219 -2.732 4.455 1.00 0.00 C ATOM 0 H VAL A 96 -15.472 -0.151 4.531 1.00 0.00 H new ATOM 0 HA VAL A 96 -13.566 -1.361 6.187 1.00 0.00 H new ATOM 0 HB VAL A 96 -13.937 -1.602 3.177 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.949 -3.838 3.458 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.816 -2.549 3.930 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.664 -3.491 5.180 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -15.381 -3.525 3.725 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -15.201 -3.160 5.457 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -16.027 -2.004 4.385 1.00 0.00 H new ATOM 1503 N MET A 97 -12.425 0.761 3.946 1.00 0.00 N ATOM 1504 CA MET A 97 -11.264 1.532 3.532 1.00 0.00 C ATOM 1505 C MET A 97 -10.790 2.429 4.668 1.00 0.00 C ATOM 1506 O MET A 97 -9.595 2.686 4.816 1.00 0.00 O ATOM 1507 CB MET A 97 -11.602 2.378 2.302 1.00 0.00 C ATOM 1508 CG MET A 97 -10.651 2.166 1.136 1.00 0.00 C ATOM 1509 SD MET A 97 -10.753 3.483 -0.090 1.00 0.00 S ATOM 1510 CE MET A 97 -10.455 4.919 0.937 1.00 0.00 C ATOM 0 H MET A 97 -13.295 1.031 3.486 1.00 0.00 H new ATOM 0 HA MET A 97 -10.462 0.840 3.275 1.00 0.00 H new ATOM 0 HB2 MET A 97 -12.617 2.145 1.979 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.591 3.431 2.582 1.00 0.00 H new ATOM 0 HG2 MET A 97 -9.630 2.103 1.512 1.00 0.00 H new ATOM 0 HG3 MET A 97 -10.875 1.212 0.658 1.00 0.00 H new ATOM 0 HE1 MET A 97 -9.985 5.702 0.341 1.00 0.00 H new ATOM 0 HE2 MET A 97 -11.402 5.285 1.335 1.00 0.00 H new ATOM 0 HE3 MET A 97 -9.796 4.646 1.761 1.00 0.00 H new ATOM 1520 N ASP A 98 -11.740 2.902 5.470 1.00 0.00 N ATOM 1521 CA ASP A 98 -11.426 3.771 6.596 1.00 0.00 C ATOM 1522 C ASP A 98 -10.756 2.993 7.720 1.00 0.00 C ATOM 1523 O ASP A 98 -10.021 3.560 8.525 1.00 0.00 O ATOM 1524 CB ASP A 98 -12.696 4.450 7.113 1.00 0.00 C ATOM 1525 CG ASP A 98 -12.401 5.502 8.166 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -12.086 6.649 7.785 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -12.486 5.178 9.369 1.00 0.00 O ATOM 0 H ASP A 98 -12.733 2.697 5.360 1.00 0.00 H new ATOM 0 HA ASP A 98 -10.730 4.534 6.248 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.223 4.913 6.279 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.363 3.697 7.533 1.00 0.00 H new ATOM 1532 N ASN A 99 -11.016 1.690 7.771 1.00 0.00 N ATOM 1533 CA ASN A 99 -10.435 0.834 8.800 1.00 0.00 C ATOM 1534 C ASN A 99 -9.007 0.437 8.438 1.00 0.00 C ATOM 1535 O ASN A 99 -8.086 0.600 9.238 1.00 0.00 O ATOM 1536 CB ASN A 99 -11.293 -0.418 8.999 1.00 0.00 C ATOM 1537 CG ASN A 99 -12.703 -0.086 9.443 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -12.910 0.760 10.313 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -13.684 -0.751 8.844 1.00 0.00 N ATOM 0 H ASN A 99 -11.625 1.204 7.112 1.00 0.00 H new ATOM 0 HA ASN A 99 -10.409 1.398 9.732 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -11.332 -0.981 8.066 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -10.823 -1.063 9.742 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -14.654 -0.569 9.100 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.467 -1.444 8.128 1.00 0.00 H new ATOM 1546 N ILE A 100 -8.829 -0.080 7.225 1.00 0.00 N ATOM 1547 CA ILE A 100 -7.511 -0.494 6.754 1.00 0.00 C ATOM 1548 C ILE A 100 -6.506 0.644 6.890 1.00 0.00 C ATOM 1549 O ILE A 100 -5.432 0.477 7.471 1.00 0.00 O ATOM 1550 CB ILE A 100 -7.562 -0.948 5.279 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.519 -2.133 5.119 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -6.170 -1.309 4.775 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.956 -3.438 5.638 1.00 0.00 C ATOM 0 H ILE A 100 -9.581 -0.222 6.551 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.195 -1.333 7.374 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.934 -0.119 4.677 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.448 -1.913 5.645 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.769 -2.248 4.064 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.231 -1.626 3.734 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.518 -0.439 4.852 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.764 -2.121 5.378 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.687 -4.233 5.492 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.042 -3.681 5.096 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.732 -3.341 6.700 1.00 0.00 H new ATOM 1565 N LYS A 101 -6.867 1.800 6.353 1.00 0.00 N ATOM 1566 CA LYS A 101 -6.012 2.975 6.411 1.00 0.00 C ATOM 1567 C LYS A 101 -5.741 3.380 7.854 1.00 0.00 C ATOM 1568 O LYS A 101 -4.706 3.970 8.164 1.00 0.00 O ATOM 1569 CB LYS A 101 -6.671 4.132 5.659 1.00 0.00 C ATOM 1570 CG LYS A 101 -5.697 5.208 5.210 1.00 0.00 C ATOM 1571 CD LYS A 101 -6.182 6.597 5.600 1.00 0.00 C ATOM 1572 CE LYS A 101 -7.563 6.893 5.034 1.00 0.00 C ATOM 1573 NZ LYS A 101 -8.459 7.509 6.051 1.00 0.00 N ATOM 0 H LYS A 101 -7.752 1.949 5.869 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.060 2.732 5.940 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -7.189 3.737 4.785 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.428 4.585 6.300 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.719 5.024 5.656 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -5.569 5.156 4.129 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -6.209 6.681 6.686 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -5.474 7.344 5.240 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -7.469 7.563 4.179 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.011 5.969 4.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -9.390 7.695 5.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -8.569 6.859 6.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -8.045 8.403 6.383 1.00 0.00 H new ATOM 1587 N MET A 102 -6.682 3.056 8.730 1.00 0.00 N ATOM 1588 CA MET A 102 -6.563 3.378 10.144 1.00 0.00 C ATOM 1589 C MET A 102 -5.640 2.391 10.851 1.00 0.00 C ATOM 1590 O MET A 102 -4.797 2.780 11.657 1.00 0.00 O ATOM 1591 CB MET A 102 -7.954 3.389 10.800 1.00 0.00 C ATOM 1592 CG MET A 102 -8.074 2.522 12.045 1.00 0.00 C ATOM 1593 SD MET A 102 -9.753 2.475 12.702 1.00 0.00 S ATOM 1594 CE MET A 102 -10.199 4.207 12.609 1.00 0.00 C ATOM 0 H MET A 102 -7.542 2.567 8.483 1.00 0.00 H new ATOM 0 HA MET A 102 -6.124 4.371 10.238 1.00 0.00 H new ATOM 0 HB2 MET A 102 -8.210 4.416 11.062 1.00 0.00 H new ATOM 0 HB3 MET A 102 -8.689 3.055 10.068 1.00 0.00 H new ATOM 0 HG2 MET A 102 -7.752 1.508 11.809 1.00 0.00 H new ATOM 0 HG3 MET A 102 -7.398 2.900 12.812 1.00 0.00 H new ATOM 0 HE1 MET A 102 -11.067 4.394 13.242 1.00 0.00 H new ATOM 0 HE2 MET A 102 -9.363 4.817 12.951 1.00 0.00 H new ATOM 0 HE3 MET A 102 -10.439 4.466 11.578 1.00 0.00 H new ATOM 1604 N THR A 103 -5.813 1.109 10.545 1.00 0.00 N ATOM 1605 CA THR A 103 -5.003 0.068 11.158 1.00 0.00 C ATOM 1606 C THR A 103 -3.561 0.130 10.661 1.00 0.00 C ATOM 1607 O THR A 103 -2.622 0.020 11.449 1.00 0.00 O ATOM 1608 CB THR A 103 -5.630 -1.298 10.880 1.00 0.00 C ATOM 1609 OG1 THR A 103 -6.119 -1.874 12.078 1.00 0.00 O ATOM 1610 CG2 THR A 103 -4.673 -2.279 10.262 1.00 0.00 C ATOM 0 H THR A 103 -6.506 0.769 9.878 1.00 0.00 H new ATOM 0 HA THR A 103 -4.977 0.227 12.236 1.00 0.00 H new ATOM 0 HB THR A 103 -6.436 -1.108 10.171 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.442 -2.781 11.897 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.183 -3.227 10.091 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.311 -1.885 9.312 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.829 -2.437 10.934 1.00 0.00 H new ATOM 1618 N LEU A 104 -3.390 0.304 9.356 1.00 0.00 N ATOM 1619 CA LEU A 104 -2.057 0.377 8.770 1.00 0.00 C ATOM 1620 C LEU A 104 -1.250 1.514 9.389 1.00 0.00 C ATOM 1621 O LEU A 104 -0.052 1.378 9.630 1.00 0.00 O ATOM 1622 CB LEU A 104 -2.151 0.562 7.255 1.00 0.00 C ATOM 1623 CG LEU A 104 -2.284 -0.733 6.452 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -2.536 -0.427 4.984 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -1.037 -1.591 6.616 1.00 0.00 C ATOM 0 H LEU A 104 -4.154 0.397 8.686 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.543 -0.561 8.980 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.008 1.198 7.034 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.263 1.094 6.913 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.138 -1.292 6.836 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.628 -1.360 4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.458 0.147 4.885 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.703 0.152 4.585 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.148 -2.509 6.038 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.167 -1.040 6.259 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.902 -1.839 7.669 1.00 0.00 H new ATOM 1637 N GLN A 105 -1.916 2.636 9.645 1.00 0.00 N ATOM 1638 CA GLN A 105 -1.258 3.796 10.237 1.00 0.00 C ATOM 1639 C GLN A 105 -0.737 3.474 11.633 1.00 0.00 C ATOM 1640 O GLN A 105 0.249 4.054 12.087 1.00 0.00 O ATOM 1641 CB GLN A 105 -2.223 4.984 10.295 1.00 0.00 C ATOM 1642 CG GLN A 105 -1.876 6.096 9.320 1.00 0.00 C ATOM 1643 CD GLN A 105 -3.105 6.747 8.716 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -4.233 6.449 9.107 1.00 0.00 O ATOM 1645 NE2 GLN A 105 -2.890 7.641 7.759 1.00 0.00 N ATOM 0 H GLN A 105 -2.909 2.766 9.452 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.409 4.061 9.607 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.233 4.632 10.087 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.229 5.388 11.307 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -1.284 6.853 9.834 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -1.253 5.693 8.521 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -1.937 7.856 7.467 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -3.678 8.113 7.315 1.00 0.00 H new ATOM 1654 N GLN A 106 -1.404 2.546 12.303 1.00 0.00 N ATOM 1655 CA GLN A 106 -1.008 2.143 13.648 1.00 0.00 C ATOM 1656 C GLN A 106 0.323 1.398 13.621 1.00 0.00 C ATOM 1657 O GLN A 106 1.146 1.548 14.524 1.00 0.00 O ATOM 1658 CB GLN A 106 -2.088 1.263 14.280 1.00 0.00 C ATOM 1659 CG GLN A 106 -3.392 1.996 14.545 1.00 0.00 C ATOM 1660 CD GLN A 106 -4.425 1.119 15.225 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -4.198 0.606 16.321 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -5.569 0.942 14.574 1.00 0.00 N ATOM 0 H GLN A 106 -2.222 2.057 11.939 1.00 0.00 H new ATOM 0 HA GLN A 106 -0.888 3.044 14.250 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.284 0.415 13.623 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -1.711 0.858 15.219 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -3.194 2.868 15.168 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -3.797 2.363 13.602 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -5.714 1.387 13.668 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -6.303 0.361 14.980 1.00 0.00 H new ATOM 1671 N ILE A 107 0.524 0.591 12.584 1.00 0.00 N ATOM 1672 CA ILE A 107 1.753 -0.179 12.444 1.00 0.00 C ATOM 1673 C ILE A 107 2.946 0.727 12.162 1.00 0.00 C ATOM 1674 O ILE A 107 4.008 0.573 12.765 1.00 0.00 O ATOM 1675 CB ILE A 107 1.631 -1.234 11.325 1.00 0.00 C ATOM 1676 CG1 ILE A 107 0.464 -2.183 11.616 1.00 0.00 C ATOM 1677 CG2 ILE A 107 2.930 -2.013 11.176 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -0.529 -2.283 10.480 1.00 0.00 C ATOM 0 H ILE A 107 -0.148 0.454 11.829 1.00 0.00 H new ATOM 0 HA ILE A 107 1.916 -0.690 13.393 1.00 0.00 H new ATOM 0 HB ILE A 107 1.434 -0.719 10.385 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.859 -3.176 11.832 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -0.055 -1.844 12.513 1.00 0.00 H new ATOM 0 HG21 ILE A 107 2.822 -2.752 10.382 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.739 -1.327 10.926 1.00 0.00 H new ATOM 0 HG23 ILE A 107 3.160 -2.519 12.113 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.328 -2.971 10.755 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.951 -1.299 10.278 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.024 -2.651 9.587 1.00 0.00 H new ATOM 1690 N ILE A 108 2.764 1.685 11.259 1.00 0.00 N ATOM 1691 CA ILE A 108 3.837 2.618 10.933 1.00 0.00 C ATOM 1692 C ILE A 108 4.238 3.372 12.177 1.00 0.00 C ATOM 1693 O ILE A 108 5.375 3.298 12.639 1.00 0.00 O ATOM 1694 CB ILE A 108 3.426 3.656 9.866 1.00 0.00 C ATOM 1695 CG1 ILE A 108 2.527 3.040 8.798 1.00 0.00 C ATOM 1696 CG2 ILE A 108 4.662 4.271 9.230 1.00 0.00 C ATOM 1697 CD1 ILE A 108 1.590 4.047 8.170 1.00 0.00 C ATOM 0 H ILE A 108 1.896 1.835 10.746 1.00 0.00 H new ATOM 0 HA ILE A 108 4.659 2.023 10.534 1.00 0.00 H new ATOM 0 HB ILE A 108 2.854 4.439 10.364 1.00 0.00 H new ATOM 0 HG12 ILE A 108 3.147 2.593 8.021 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.943 2.234 9.242 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.360 5.001 8.479 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.259 4.765 9.997 1.00 0.00 H new ATOM 0 HG23 ILE A 108 5.255 3.489 8.757 1.00 0.00 H new ATOM 0 HD11 ILE A 108 0.975 3.552 7.418 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.948 4.475 8.939 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.171 4.840 7.699 1.00 0.00 H new ATOM 1709 N SER A 109 3.272 4.093 12.712 1.00 0.00 N ATOM 1710 CA SER A 109 3.474 4.877 13.923 1.00 0.00 C ATOM 1711 C SER A 109 4.102 4.028 15.022 1.00 0.00 C ATOM 1712 O SER A 109 4.833 4.539 15.871 1.00 0.00 O ATOM 1713 CB SER A 109 2.146 5.462 14.406 1.00 0.00 C ATOM 1714 OG SER A 109 2.348 6.387 15.460 1.00 0.00 O ATOM 0 H SER A 109 2.330 4.154 12.326 1.00 0.00 H new ATOM 0 HA SER A 109 4.156 5.694 13.687 1.00 0.00 H new ATOM 0 HB2 SER A 109 1.640 5.956 13.577 1.00 0.00 H new ATOM 0 HB3 SER A 109 1.493 4.658 14.744 1.00 0.00 H new ATOM 0 HG SER A 109 2.449 5.902 16.306 1.00 0.00 H new ATOM 1720 N ARG A 110 3.824 2.731 14.995 1.00 0.00 N ATOM 1721 CA ARG A 110 4.375 1.816 15.989 1.00 0.00 C ATOM 1722 C ARG A 110 5.881 1.682 15.814 1.00 0.00 C ATOM 1723 O ARG A 110 6.621 1.526 16.783 1.00 0.00 O ATOM 1724 CB ARG A 110 3.706 0.445 15.886 1.00 0.00 C ATOM 1725 CG ARG A 110 2.504 0.283 16.801 1.00 0.00 C ATOM 1726 CD ARG A 110 1.821 -1.058 16.593 1.00 0.00 C ATOM 1727 NE ARG A 110 0.587 -1.172 17.369 1.00 0.00 N ATOM 1728 CZ ARG A 110 -0.007 -2.329 17.652 1.00 0.00 C ATOM 1729 NH1 ARG A 110 0.513 -3.473 17.225 1.00 0.00 N ATOM 1730 NH2 ARG A 110 -1.126 -2.341 18.363 1.00 0.00 N ATOM 0 H ARG A 110 3.223 2.289 14.299 1.00 0.00 H new ATOM 0 HA ARG A 110 4.175 2.226 16.979 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.392 0.280 14.855 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.439 -0.326 16.123 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.822 0.373 17.840 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.793 1.087 16.614 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.597 -1.190 15.535 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.503 -1.860 16.877 1.00 0.00 H new ATOM 0 HE ARG A 110 0.156 -0.314 17.714 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.373 -3.469 16.676 1.00 0.00 H new ATOM 0 HH12 ARG A 110 0.053 -4.356 17.445 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -1.530 -1.464 18.692 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -1.582 -3.227 18.581 1.00 0.00 H new ATOM 1744 N TYR A 111 6.322 1.754 14.568 1.00 0.00 N ATOM 1745 CA TYR A 111 7.742 1.652 14.246 1.00 0.00 C ATOM 1746 C TYR A 111 8.318 3.020 13.879 1.00 0.00 C ATOM 1747 O TYR A 111 9.508 3.144 13.591 1.00 0.00 O ATOM 1748 CB TYR A 111 7.956 0.672 13.093 1.00 0.00 C ATOM 1749 CG TYR A 111 7.282 -0.666 13.301 1.00 0.00 C ATOM 1750 CD1 TYR A 111 7.464 -1.383 14.477 1.00 0.00 C ATOM 1751 CD2 TYR A 111 6.464 -1.212 12.319 1.00 0.00 C ATOM 1752 CE1 TYR A 111 6.849 -2.605 14.669 1.00 0.00 C ATOM 1753 CE2 TYR A 111 5.847 -2.434 12.504 1.00 0.00 C ATOM 1754 CZ TYR A 111 6.043 -3.126 13.681 1.00 0.00 C ATOM 1755 OH TYR A 111 5.428 -4.343 13.868 1.00 0.00 O ATOM 0 H TYR A 111 5.716 1.883 13.758 1.00 0.00 H new ATOM 0 HA TYR A 111 8.263 1.283 15.130 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.580 1.119 12.173 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.026 0.513 12.956 1.00 0.00 H new ATOM 0 HD1 TYR A 111 8.096 -0.979 15.253 1.00 0.00 H new ATOM 0 HD2 TYR A 111 6.308 -0.672 11.397 1.00 0.00 H new ATOM 0 HE1 TYR A 111 6.999 -3.149 15.590 1.00 0.00 H new ATOM 0 HE2 TYR A 111 5.215 -2.845 11.731 1.00 0.00 H new ATOM 0 HH TYR A 111 4.582 -4.361 13.374 1.00 0.00 H new ATOM 1765 N LYS A 112 7.466 4.042 13.890 1.00 0.00 N ATOM 1766 CA LYS A 112 7.883 5.397 13.556 1.00 0.00 C ATOM 1767 C LYS A 112 7.899 6.282 14.799 1.00 0.00 C ATOM 1768 O LYS A 112 8.726 7.185 14.919 1.00 0.00 O ATOM 1769 CB LYS A 112 6.951 5.985 12.497 1.00 0.00 C ATOM 1770 CG LYS A 112 7.412 7.329 11.961 1.00 0.00 C ATOM 1771 CD LYS A 112 6.815 8.472 12.760 1.00 0.00 C ATOM 1772 CE LYS A 112 5.532 8.985 12.125 1.00 0.00 C ATOM 1773 NZ LYS A 112 5.762 10.223 11.331 1.00 0.00 N ATOM 0 H LYS A 112 6.478 3.954 14.128 1.00 0.00 H new ATOM 0 HA LYS A 112 8.896 5.358 13.155 1.00 0.00 H new ATOM 0 HB2 LYS A 112 6.867 5.282 11.668 1.00 0.00 H new ATOM 0 HB3 LYS A 112 5.954 6.096 12.923 1.00 0.00 H new ATOM 0 HG2 LYS A 112 8.500 7.385 11.999 1.00 0.00 H new ATOM 0 HG3 LYS A 112 7.124 7.424 10.914 1.00 0.00 H new ATOM 0 HD2 LYS A 112 6.611 8.138 13.777 1.00 0.00 H new ATOM 0 HD3 LYS A 112 7.538 9.285 12.830 1.00 0.00 H new ATOM 0 HE2 LYS A 112 5.112 8.213 11.480 1.00 0.00 H new ATOM 0 HE3 LYS A 112 4.796 9.185 12.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 4.863 10.540 10.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 6.139 10.968 11.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 6.445 10.027 10.572 1.00 0.00 H new ATOM 1787 N ASP A 113 6.981 6.013 15.723 1.00 0.00 N ATOM 1788 CA ASP A 113 6.893 6.784 16.958 1.00 0.00 C ATOM 1789 C ASP A 113 8.176 6.648 17.772 1.00 0.00 C ATOM 1790 O ASP A 113 8.622 7.603 18.410 1.00 0.00 O ATOM 1791 CB ASP A 113 5.695 6.323 17.792 1.00 0.00 C ATOM 1792 CG ASP A 113 4.377 6.844 17.252 1.00 0.00 C ATOM 1793 OD1 ASP A 113 4.403 7.687 16.330 1.00 0.00 O ATOM 1794 OD2 ASP A 113 3.318 6.410 17.753 1.00 0.00 O ATOM 0 H ASP A 113 6.289 5.268 15.640 1.00 0.00 H new ATOM 0 HA ASP A 113 6.757 7.833 16.694 1.00 0.00 H new ATOM 0 HB2 ASP A 113 5.670 5.234 17.814 1.00 0.00 H new ATOM 0 HB3 ASP A 113 5.821 6.660 18.821 1.00 0.00 H new ATOM 1799 N ALA A 114 8.763 5.457 17.745 1.00 0.00 N ATOM 1800 CA ALA A 114 9.995 5.194 18.480 1.00 0.00 C ATOM 1801 C ALA A 114 11.132 6.077 17.977 1.00 0.00 C ATOM 1802 O ALA A 114 11.998 6.490 18.749 1.00 0.00 O ATOM 1803 CB ALA A 114 10.374 3.726 18.364 1.00 0.00 C ATOM 0 H ALA A 114 8.406 4.658 17.222 1.00 0.00 H new ATOM 0 HA ALA A 114 9.822 5.432 19.530 1.00 0.00 H new ATOM 0 HB1 ALA A 114 11.295 3.543 18.917 1.00 0.00 H new ATOM 0 HB2 ALA A 114 9.575 3.110 18.777 1.00 0.00 H new ATOM 0 HB3 ALA A 114 10.524 3.471 17.315 1.00 0.00 H new ATOM 1809 N ASP A 115 11.123 6.365 16.680 1.00 0.00 N ATOM 1810 CA ASP A 115 12.155 7.200 16.074 1.00 0.00 C ATOM 1811 C ASP A 115 11.586 8.554 15.664 1.00 0.00 C ATOM 1812 O ASP A 115 12.309 9.319 14.992 1.00 0.00 O ATOM 1813 CB ASP A 115 12.758 6.496 14.857 1.00 0.00 C ATOM 1814 CG ASP A 115 13.517 5.239 15.231 1.00 0.00 C ATOM 1815 OD1 ASP A 115 13.844 5.075 16.426 1.00 0.00 O ATOM 1816 OD2 ASP A 115 13.783 4.415 14.331 1.00 0.00 O ATOM 1817 OXT ASP A 115 10.423 8.840 16.018 1.00 0.00 O ATOM 0 H ASP A 115 10.413 6.033 16.028 1.00 0.00 H new ATOM 0 HA ASP A 115 12.938 7.365 16.814 1.00 0.00 H new ATOM 0 HB2 ASP A 115 11.962 6.241 14.157 1.00 0.00 H new ATOM 0 HB3 ASP A 115 13.429 7.182 14.340 1.00 0.00 H new TER 1822 ASP A 115 ATOM 1823 N LEU B 45 -3.072 1.891 -19.817 1.00 0.00 N ATOM 1824 CA LEU B 45 -3.160 3.086 -18.936 1.00 0.00 C ATOM 1825 C LEU B 45 -1.772 3.576 -18.535 1.00 0.00 C ATOM 1826 O LEU B 45 -0.774 2.891 -18.755 1.00 0.00 O ATOM 1827 CB LEU B 45 -3.969 2.715 -17.692 1.00 0.00 C ATOM 1828 CG LEU B 45 -4.759 3.863 -17.065 1.00 0.00 C ATOM 1829 CD1 LEU B 45 -5.659 4.520 -18.100 1.00 0.00 C ATOM 1830 CD2 LEU B 45 -5.578 3.364 -15.884 1.00 0.00 C ATOM 0 HA LEU B 45 -3.651 3.895 -19.476 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -4.664 1.917 -17.954 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -3.288 2.311 -16.942 1.00 0.00 H new ATOM 0 HG LEU B 45 -4.052 4.609 -16.702 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -6.214 5.335 -17.635 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -5.050 4.913 -18.914 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -6.359 3.783 -18.494 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -6.134 4.195 -15.450 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -6.276 2.598 -16.223 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -4.912 2.941 -15.132 1.00 0.00 H new ATOM 1842 N SER B 46 -1.718 4.768 -17.948 1.00 0.00 N ATOM 1843 CA SER B 46 -0.453 5.352 -17.518 1.00 0.00 C ATOM 1844 C SER B 46 -0.450 5.591 -16.010 1.00 0.00 C ATOM 1845 O SER B 46 -1.502 5.598 -15.371 1.00 0.00 O ATOM 1846 CB SER B 46 -0.198 6.668 -18.256 1.00 0.00 C ATOM 1847 OG SER B 46 0.551 6.453 -19.439 1.00 0.00 O ATOM 0 H SER B 46 -2.536 5.348 -17.760 1.00 0.00 H new ATOM 0 HA SER B 46 0.345 4.649 -17.758 1.00 0.00 H new ATOM 0 HB2 SER B 46 -1.149 7.139 -18.505 1.00 0.00 H new ATOM 0 HB3 SER B 46 0.338 7.357 -17.603 1.00 0.00 H new ATOM 0 HG SER B 46 0.699 7.309 -19.893 1.00 0.00 H new ATOM 1853 N PRO B 47 0.741 5.792 -15.420 1.00 0.00 N ATOM 1854 CA PRO B 47 0.879 6.034 -13.978 1.00 0.00 C ATOM 1855 C PRO B 47 0.120 7.275 -13.526 1.00 0.00 C ATOM 1856 O PRO B 47 -0.445 7.305 -12.433 1.00 0.00 O ATOM 1857 CB PRO B 47 2.384 6.234 -13.780 1.00 0.00 C ATOM 1858 CG PRO B 47 2.925 6.535 -15.137 1.00 0.00 C ATOM 1859 CD PRO B 47 2.042 5.802 -16.104 1.00 0.00 C ATOM 0 HA PRO B 47 0.467 5.212 -13.393 1.00 0.00 H new ATOM 0 HB2 PRO B 47 2.584 7.051 -13.087 1.00 0.00 H new ATOM 0 HB3 PRO B 47 2.847 5.341 -13.361 1.00 0.00 H new ATOM 0 HG2 PRO B 47 2.913 7.607 -15.333 1.00 0.00 H new ATOM 0 HG3 PRO B 47 3.960 6.206 -15.227 1.00 0.00 H new ATOM 0 HD2 PRO B 47 1.988 6.310 -17.067 1.00 0.00 H new ATOM 0 HD3 PRO B 47 2.405 4.792 -16.297 1.00 0.00 H new ATOM 1867 N ASP B 48 0.108 8.296 -14.375 1.00 0.00 N ATOM 1868 CA ASP B 48 -0.584 9.540 -14.065 1.00 0.00 C ATOM 1869 C ASP B 48 -2.073 9.295 -13.829 1.00 0.00 C ATOM 1870 O ASP B 48 -2.769 10.141 -13.268 1.00 0.00 O ATOM 1871 CB ASP B 48 -0.394 10.551 -15.198 1.00 0.00 C ATOM 1872 CG ASP B 48 -0.939 10.051 -16.522 1.00 0.00 C ATOM 1873 OD1 ASP B 48 -1.653 9.025 -16.522 1.00 0.00 O ATOM 1874 OD2 ASP B 48 -0.655 10.684 -17.560 1.00 0.00 O ATOM 0 H ASP B 48 0.570 8.286 -15.284 1.00 0.00 H new ATOM 0 HA ASP B 48 -0.153 9.945 -13.149 1.00 0.00 H new ATOM 0 HB2 ASP B 48 -0.891 11.485 -14.934 1.00 0.00 H new ATOM 0 HB3 ASP B 48 0.667 10.774 -15.307 1.00 0.00 H new ATOM 1879 N ASP B 49 -2.557 8.136 -14.266 1.00 0.00 N ATOM 1880 CA ASP B 49 -3.959 7.785 -14.106 1.00 0.00 C ATOM 1881 C ASP B 49 -4.257 7.332 -12.679 1.00 0.00 C ATOM 1882 O ASP B 49 -5.298 7.666 -12.116 1.00 0.00 O ATOM 1883 CB ASP B 49 -4.345 6.679 -15.090 1.00 0.00 C ATOM 1884 CG ASP B 49 -5.818 6.712 -15.447 1.00 0.00 C ATOM 1885 OD1 ASP B 49 -6.197 7.508 -16.331 1.00 0.00 O ATOM 1886 OD2 ASP B 49 -6.593 5.940 -14.842 1.00 0.00 O ATOM 0 H ASP B 49 -1.995 7.425 -14.734 1.00 0.00 H new ATOM 0 HA ASP B 49 -4.551 8.676 -14.314 1.00 0.00 H new ATOM 0 HB2 ASP B 49 -3.751 6.781 -15.998 1.00 0.00 H new ATOM 0 HB3 ASP B 49 -4.100 5.709 -14.657 1.00 0.00 H new ATOM 1891 N ILE B 50 -3.339 6.560 -12.104 1.00 0.00 N ATOM 1892 CA ILE B 50 -3.509 6.050 -10.747 1.00 0.00 C ATOM 1893 C ILE B 50 -3.355 7.152 -9.707 1.00 0.00 C ATOM 1894 O ILE B 50 -3.954 7.093 -8.634 1.00 0.00 O ATOM 1895 CB ILE B 50 -2.502 4.925 -10.443 1.00 0.00 C ATOM 1896 CG1 ILE B 50 -2.516 3.881 -11.560 1.00 0.00 C ATOM 1897 CG2 ILE B 50 -2.821 4.278 -9.104 1.00 0.00 C ATOM 1898 CD1 ILE B 50 -3.880 3.271 -11.800 1.00 0.00 C ATOM 0 H ILE B 50 -2.471 6.274 -12.556 1.00 0.00 H new ATOM 0 HA ILE B 50 -4.522 5.652 -10.689 1.00 0.00 H new ATOM 0 HB ILE B 50 -1.503 5.357 -10.389 1.00 0.00 H new ATOM 0 HG12 ILE B 50 -2.166 4.343 -12.483 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -1.810 3.088 -11.314 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -2.101 3.485 -8.902 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -2.765 5.028 -8.315 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -3.826 3.857 -9.134 1.00 0.00 H new ATOM 0 HD11 ILE B 50 -3.815 2.540 -12.605 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -4.224 2.779 -10.890 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -4.585 4.054 -12.078 1.00 0.00 H new ATOM 1910 N GLU B 51 -2.549 8.152 -10.028 1.00 0.00 N ATOM 1911 CA GLU B 51 -2.316 9.267 -9.116 1.00 0.00 C ATOM 1912 C GLU B 51 -3.486 10.246 -9.134 1.00 0.00 C ATOM 1913 O GLU B 51 -3.730 10.952 -8.156 1.00 0.00 O ATOM 1914 CB GLU B 51 -1.017 9.993 -9.480 1.00 0.00 C ATOM 1915 CG GLU B 51 -1.080 10.729 -10.807 1.00 0.00 C ATOM 1916 CD GLU B 51 0.235 11.395 -11.167 1.00 0.00 C ATOM 1917 OE1 GLU B 51 1.279 10.713 -11.113 1.00 0.00 O ATOM 1918 OE2 GLU B 51 0.217 12.598 -11.502 1.00 0.00 O ATOM 0 H GLU B 51 -2.044 8.217 -10.912 1.00 0.00 H new ATOM 0 HA GLU B 51 -2.225 8.862 -8.108 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -0.776 10.705 -8.691 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -0.204 9.268 -9.515 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -1.356 10.028 -11.595 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -1.865 11.484 -10.763 1.00 0.00 H new ATOM 1925 N GLN B 52 -4.207 10.284 -10.251 1.00 0.00 N ATOM 1926 CA GLN B 52 -5.351 11.178 -10.391 1.00 0.00 C ATOM 1927 C GLN B 52 -6.401 10.888 -9.318 1.00 0.00 C ATOM 1928 O GLN B 52 -7.127 11.784 -8.889 1.00 0.00 O ATOM 1929 CB GLN B 52 -5.954 11.049 -11.800 1.00 0.00 C ATOM 1930 CG GLN B 52 -7.352 10.447 -11.840 1.00 0.00 C ATOM 1931 CD GLN B 52 -7.921 10.385 -13.245 1.00 0.00 C ATOM 1932 OE1 GLN B 52 -8.495 11.357 -13.738 1.00 0.00 O ATOM 1933 NE2 GLN B 52 -7.763 9.240 -13.897 1.00 0.00 N ATOM 0 H GLN B 52 -4.019 9.707 -11.071 1.00 0.00 H new ATOM 0 HA GLN B 52 -5.010 12.204 -10.254 1.00 0.00 H new ATOM 0 HB2 GLN B 52 -5.985 12.037 -12.259 1.00 0.00 H new ATOM 0 HB3 GLN B 52 -5.291 10.435 -12.410 1.00 0.00 H new ATOM 0 HG2 GLN B 52 -7.323 9.442 -11.419 1.00 0.00 H new ATOM 0 HG3 GLN B 52 -8.016 11.038 -11.209 1.00 0.00 H new ATOM 0 HE21 GLN B 52 -7.281 8.461 -13.449 1.00 0.00 H new ATOM 0 HE22 GLN B 52 -8.124 9.139 -14.846 1.00 0.00 H new ATOM 1942 N TRP B 53 -6.471 9.632 -8.892 1.00 0.00 N ATOM 1943 CA TRP B 53 -7.429 9.222 -7.871 1.00 0.00 C ATOM 1944 C TRP B 53 -7.156 9.937 -6.551 1.00 0.00 C ATOM 1945 O TRP B 53 -8.082 10.269 -5.809 1.00 0.00 O ATOM 1946 CB TRP B 53 -7.371 7.707 -7.664 1.00 0.00 C ATOM 1947 CG TRP B 53 -7.902 6.927 -8.828 1.00 0.00 C ATOM 1948 CD1 TRP B 53 -7.551 7.068 -10.140 1.00 0.00 C ATOM 1949 CD2 TRP B 53 -8.881 5.882 -8.786 1.00 0.00 C ATOM 1950 NE1 TRP B 53 -8.251 6.178 -10.916 1.00 0.00 N ATOM 1951 CE2 TRP B 53 -9.074 5.438 -10.108 1.00 0.00 C ATOM 1952 CE3 TRP B 53 -9.613 5.279 -7.759 1.00 0.00 C ATOM 1953 CZ2 TRP B 53 -9.968 4.419 -10.428 1.00 0.00 C ATOM 1954 CZ3 TRP B 53 -10.499 4.267 -8.078 1.00 0.00 C ATOM 1955 CH2 TRP B 53 -10.669 3.846 -9.402 1.00 0.00 C ATOM 0 H TRP B 53 -5.876 8.879 -9.238 1.00 0.00 H new ATOM 0 HA TRP B 53 -8.426 9.497 -8.214 1.00 0.00 H new ATOM 0 HB2 TRP B 53 -6.338 7.412 -7.479 1.00 0.00 H new ATOM 0 HB3 TRP B 53 -7.941 7.447 -6.772 1.00 0.00 H new ATOM 0 HD1 TRP B 53 -6.827 7.777 -10.513 1.00 0.00 H new ATOM 0 HE1 TRP B 53 -8.172 6.083 -11.928 1.00 0.00 H new ATOM 0 HE3 TRP B 53 -9.489 5.598 -6.735 1.00 0.00 H new ATOM 0 HZ2 TRP B 53 -10.103 4.093 -11.449 1.00 0.00 H new ATOM 0 HZ3 TRP B 53 -11.069 3.793 -7.293 1.00 0.00 H new ATOM 0 HH2 TRP B 53 -11.368 3.052 -9.618 1.00 0.00 H new ATOM 1966 N PHE B 54 -5.880 10.167 -6.263 1.00 0.00 N ATOM 1967 CA PHE B 54 -5.482 10.840 -5.030 1.00 0.00 C ATOM 1968 C PHE B 54 -5.188 12.321 -5.272 1.00 0.00 C ATOM 1969 O PHE B 54 -4.843 13.051 -4.343 1.00 0.00 O ATOM 1970 CB PHE B 54 -4.251 10.159 -4.434 1.00 0.00 C ATOM 1971 CG PHE B 54 -4.444 8.693 -4.172 1.00 0.00 C ATOM 1972 CD1 PHE B 54 -5.113 8.258 -3.040 1.00 0.00 C ATOM 1973 CD2 PHE B 54 -3.954 7.747 -5.061 1.00 0.00 C ATOM 1974 CE1 PHE B 54 -5.292 6.910 -2.797 1.00 0.00 C ATOM 1975 CE2 PHE B 54 -4.130 6.398 -4.823 1.00 0.00 C ATOM 1976 CZ PHE B 54 -4.800 5.978 -3.690 1.00 0.00 C ATOM 0 H PHE B 54 -5.103 9.898 -6.866 1.00 0.00 H new ATOM 0 HA PHE B 54 -6.313 10.769 -4.328 1.00 0.00 H new ATOM 0 HB2 PHE B 54 -3.409 10.291 -5.113 1.00 0.00 H new ATOM 0 HB3 PHE B 54 -3.988 10.655 -3.500 1.00 0.00 H new ATOM 0 HD1 PHE B 54 -5.500 8.982 -2.338 1.00 0.00 H new ATOM 0 HD2 PHE B 54 -3.429 8.069 -5.948 1.00 0.00 H new ATOM 0 HE1 PHE B 54 -5.816 6.585 -1.910 1.00 0.00 H new ATOM 0 HE2 PHE B 54 -3.744 5.671 -5.523 1.00 0.00 H new ATOM 0 HZ PHE B 54 -4.939 4.923 -3.503 1.00 0.00 H new ATOM 1986 N THR B 55 -5.326 12.761 -6.520 1.00 0.00 N ATOM 1987 CA THR B 55 -5.074 14.150 -6.870 1.00 0.00 C ATOM 1988 C THR B 55 -6.093 15.073 -6.202 1.00 0.00 C ATOM 1989 O THR B 55 -5.778 16.210 -5.853 1.00 0.00 O ATOM 1990 CB THR B 55 -5.095 14.312 -8.391 1.00 0.00 C ATOM 1991 OG1 THR B 55 -3.778 14.420 -8.900 1.00 0.00 O ATOM 1992 CG2 THR B 55 -5.870 15.516 -8.872 1.00 0.00 C ATOM 0 H THR B 55 -5.611 12.173 -7.303 1.00 0.00 H new ATOM 0 HA THR B 55 -4.087 14.434 -6.504 1.00 0.00 H new ATOM 0 HB THR B 55 -5.597 13.418 -8.760 1.00 0.00 H new ATOM 0 HG1 THR B 55 -3.811 14.521 -9.874 1.00 0.00 H new ATOM 0 HG21 THR B 55 -5.836 15.559 -9.961 1.00 0.00 H new ATOM 0 HG22 THR B 55 -6.906 15.437 -8.544 1.00 0.00 H new ATOM 0 HG23 THR B 55 -5.427 16.422 -8.459 1.00 0.00 H new ATOM 2000 N GLU B 56 -7.311 14.574 -6.029 1.00 0.00 N ATOM 2001 CA GLU B 56 -8.374 15.352 -5.402 1.00 0.00 C ATOM 2002 C GLU B 56 -7.988 15.756 -3.983 1.00 0.00 C ATOM 2003 O GLU B 56 -7.475 14.943 -3.214 1.00 0.00 O ATOM 2004 CB GLU B 56 -9.677 14.552 -5.382 1.00 0.00 C ATOM 2005 CG GLU B 56 -10.212 14.225 -6.766 1.00 0.00 C ATOM 2006 CD GLU B 56 -10.525 15.467 -7.580 1.00 0.00 C ATOM 2007 OE1 GLU B 56 -10.655 16.554 -6.977 1.00 0.00 O ATOM 2008 OE2 GLU B 56 -10.640 15.352 -8.818 1.00 0.00 O ATOM 0 H GLU B 56 -7.588 13.634 -6.314 1.00 0.00 H new ATOM 0 HA GLU B 56 -8.522 16.258 -5.990 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -9.515 13.623 -4.836 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -10.432 15.116 -4.834 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -9.480 13.620 -7.301 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -11.115 13.622 -6.669 1.00 0.00 H new ATOM 2015 N ASP B 57 -8.235 17.016 -3.642 1.00 0.00 N ATOM 2016 CA ASP B 57 -7.913 17.527 -2.316 1.00 0.00 C ATOM 2017 C ASP B 57 -8.885 18.632 -1.906 1.00 0.00 C ATOM 2018 O ASP B 57 -8.607 19.816 -2.099 1.00 0.00 O ATOM 2019 CB ASP B 57 -6.479 18.055 -2.283 1.00 0.00 C ATOM 2020 CG ASP B 57 -5.783 17.758 -0.969 1.00 0.00 C ATOM 2021 OD1 ASP B 57 -6.097 18.431 0.035 1.00 0.00 O ATOM 2022 OD2 ASP B 57 -4.922 16.853 -0.944 1.00 0.00 O ATOM 0 H ASP B 57 -8.658 17.703 -4.267 1.00 0.00 H new ATOM 0 HA ASP B 57 -8.006 16.705 -1.606 1.00 0.00 H new ATOM 0 HB2 ASP B 57 -5.912 17.609 -3.100 1.00 0.00 H new ATOM 0 HB3 ASP B 57 -6.487 19.132 -2.451 1.00 0.00 H new ATOM 2027 N PRO B 58 -10.041 18.259 -1.332 1.00 0.00 N ATOM 2028 CA PRO B 58 -11.054 19.224 -0.896 1.00 0.00 C ATOM 2029 C PRO B 58 -10.598 20.035 0.313 1.00 0.00 C ATOM 2030 O PRO B 58 -10.012 19.435 1.239 1.00 0.00 O ATOM 2031 CB PRO B 58 -12.252 18.346 -0.531 1.00 0.00 C ATOM 2032 CG PRO B 58 -11.659 17.024 -0.184 1.00 0.00 C ATOM 2033 CD PRO B 58 -10.452 16.867 -1.064 1.00 0.00 C ATOM 0 HA PRO B 58 -11.272 19.962 -1.668 1.00 0.00 H new ATOM 0 HB2 PRO B 58 -12.808 18.763 0.309 1.00 0.00 H new ATOM 0 HB3 PRO B 58 -12.949 18.261 -1.364 1.00 0.00 H new ATOM 0 HG2 PRO B 58 -11.381 16.985 0.869 1.00 0.00 H new ATOM 0 HG3 PRO B 58 -12.374 16.219 -0.355 1.00 0.00 H new ATOM 0 HD2 PRO B 58 -9.663 16.304 -0.567 1.00 0.00 H new ATOM 0 HD3 PRO B 58 -10.692 16.335 -1.984 1.00 0.00 H new TER 2041 PRO B 58