USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 662 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 40 LYS NZ :NH3+ -176:sc= 1.48 (180deg=0) USER MOD Set 1.2: A 41 ASN : amide:sc= -0.0338 X(o=2.3,f=2.2) USER MOD Set 1.3: A 67 THR OG1 : rot 141:sc= 0.577 USER MOD Set 1.4: A 68 HIS : no HE2:sc= 0.299 K(o=2.3,f=-4.2!) USER MOD Set 2.1: A 48 CYS SG : rot 3:sc= -2.09! USER MOD Set 2.2: A 54 SER OG : rot -83:sc= 0.97 USER MOD Single : A 1 ALA N :NH3+ 172:sc= 1.22 (180deg=1.18) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.22) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0.934 K(o=0.93,f=0) USER MOD Single : A 15 GLN : amide:sc= 0.939 K(o=0.94,f=-0.087) USER MOD Single : A 17 HIS : no HE2:sc= 0.167 K(o=0.17,f=-0.84) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= 1.08 K(o=1.1,f=-0.35) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 96:sc= 1.11 USER MOD Single : A 45 LYS NZ :NH3+ 172:sc= 1.28 (180deg=1.23) USER MOD Single : A 47 TYR OH : rot 30:sc= 0.198 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= -0.943 K(o=-0.94,f=-4.2!) USER MOD Single : A 56 GLN : amide:sc= 0.868 K(o=0.87,f=-5.3!) USER MOD Single : A 58 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0146) USER MOD Single : A 62 SER OG : rot 96:sc= 1.28 USER MOD Single : A 64 MET CE :methyl 178:sc= 0 (180deg=-0.0137) USER MOD Single : A 66 TYR OH : rot 155:sc= 1.17 USER MOD Single : A 71 ASN : amide:sc= 1.3 K(o=1.3,f=0) USER MOD Single : A 76 LYS NZ :NH3+ -174:sc= 1.2 (180deg=1.14) USER MOD Single : A 80 MET CE :methyl 176:sc= 0 (180deg=-0.0126) USER MOD Single : A 82 LYS NZ :NH3+ -174:sc= 1.96 (180deg=1.9) USER MOD Single : A 84 LYS NZ :NH3+ 170:sc= 1.23 (180deg=1.15) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.844 0.460 -1.852 1.00 0.00 N ATOM 2 CA ALA A 1 3.399 0.291 -1.602 1.00 0.00 C ATOM 3 C ALA A 1 2.630 0.530 -2.911 1.00 0.00 C ATOM 4 O ALA A 1 3.186 0.356 -4.001 1.00 0.00 O ATOM 5 CB ALA A 1 2.934 1.199 -0.444 1.00 0.00 C ATOM 0 H1 ALA A 1 5.358 0.434 -0.948 1.00 0.00 H new ATOM 0 H2 ALA A 1 5.182 -0.309 -2.465 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.011 1.374 -2.319 1.00 0.00 H new ATOM 0 HA ALA A 1 3.188 -0.729 -1.280 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.866 1.058 -0.277 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.480 0.940 0.463 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.127 2.241 -0.699 1.00 0.00 H new ATOM 13 N GLU A 2 1.344 0.886 -2.836 1.00 0.00 N ATOM 14 CA GLU A 2 0.487 1.178 -3.977 1.00 0.00 C ATOM 15 C GLU A 2 -0.589 2.163 -3.504 1.00 0.00 C ATOM 16 O GLU A 2 -1.003 2.108 -2.341 1.00 0.00 O ATOM 17 CB GLU A 2 -0.126 -0.143 -4.481 1.00 0.00 C ATOM 18 CG GLU A 2 -0.980 0.002 -5.747 1.00 0.00 C ATOM 19 CD GLU A 2 -1.538 -1.361 -6.190 1.00 0.00 C ATOM 20 OE1 GLU A 2 -0.869 -2.067 -6.978 1.00 0.00 O ATOM 21 OE2 GLU A 2 -2.663 -1.722 -5.779 1.00 0.00 O ATOM 0 H GLU A 2 0.858 0.981 -1.944 1.00 0.00 H new ATOM 0 HA GLU A 2 1.039 1.627 -4.803 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.678 -0.852 -4.678 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.741 -0.571 -3.689 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.802 0.693 -5.559 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.379 0.432 -6.549 1.00 0.00 H new ATOM 28 N HIS A 3 -1.064 3.027 -4.403 1.00 0.00 N ATOM 29 CA HIS A 3 -2.214 3.903 -4.204 1.00 0.00 C ATOM 30 C HIS A 3 -3.033 3.896 -5.493 1.00 0.00 C ATOM 31 O HIS A 3 -2.474 3.721 -6.579 1.00 0.00 O ATOM 32 CB HIS A 3 -1.760 5.336 -3.873 1.00 0.00 C ATOM 33 CG HIS A 3 -1.203 5.495 -2.480 1.00 0.00 C ATOM 34 ND1 HIS A 3 -1.910 5.861 -1.354 1.00 0.00 N ATOM 35 CD2 HIS A 3 0.097 5.308 -2.095 1.00 0.00 C ATOM 36 CE1 HIS A 3 -1.055 5.891 -0.318 1.00 0.00 C ATOM 37 NE2 HIS A 3 0.187 5.558 -0.717 1.00 0.00 N ATOM 0 H HIS A 3 -0.640 3.138 -5.324 1.00 0.00 H new ATOM 0 HA HIS A 3 -2.813 3.546 -3.366 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.002 5.642 -4.594 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -2.606 6.012 -3.994 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.913 5.018 -2.740 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -1.327 6.147 0.695 1.00 0.00 H new ATOM 0 HE2 HIS A 3 1.023 5.499 -0.136 1.00 0.00 H new ATOM 45 N TRP A 4 -4.341 4.128 -5.373 1.00 0.00 N ATOM 46 CA TRP A 4 -5.264 4.225 -6.494 1.00 0.00 C ATOM 47 C TRP A 4 -5.863 5.620 -6.440 1.00 0.00 C ATOM 48 O TRP A 4 -6.477 5.980 -5.433 1.00 0.00 O ATOM 49 CB TRP A 4 -6.354 3.147 -6.408 1.00 0.00 C ATOM 50 CG TRP A 4 -5.906 1.759 -6.758 1.00 0.00 C ATOM 51 CD1 TRP A 4 -5.063 0.994 -6.030 1.00 0.00 C ATOM 52 CD2 TRP A 4 -6.257 0.953 -7.926 1.00 0.00 C ATOM 53 NE1 TRP A 4 -4.856 -0.211 -6.665 1.00 0.00 N ATOM 54 CE2 TRP A 4 -5.583 -0.303 -7.832 1.00 0.00 C ATOM 55 CE3 TRP A 4 -7.081 1.154 -9.055 1.00 0.00 C ATOM 56 CZ2 TRP A 4 -5.728 -1.307 -8.802 1.00 0.00 C ATOM 57 CZ3 TRP A 4 -7.229 0.157 -10.037 1.00 0.00 C ATOM 58 CH2 TRP A 4 -6.555 -1.072 -9.913 1.00 0.00 C ATOM 0 H TRP A 4 -4.795 4.256 -4.469 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.748 4.061 -7.440 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -6.755 3.138 -5.394 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -7.172 3.426 -7.072 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -4.618 1.284 -5.090 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -4.240 -0.945 -6.314 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -7.607 2.090 -9.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -5.210 -2.249 -8.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -7.864 0.336 -10.892 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -6.673 -1.833 -10.670 1.00 0.00 H new ATOM 69 N ILE A 5 -5.674 6.402 -7.501 1.00 0.00 N ATOM 70 CA ILE A 5 -6.112 7.787 -7.572 1.00 0.00 C ATOM 71 C ILE A 5 -6.971 7.888 -8.830 1.00 0.00 C ATOM 72 O ILE A 5 -6.474 7.755 -9.948 1.00 0.00 O ATOM 73 CB ILE A 5 -4.906 8.766 -7.570 1.00 0.00 C ATOM 74 CG1 ILE A 5 -4.047 8.643 -6.286 1.00 0.00 C ATOM 75 CG2 ILE A 5 -5.404 10.218 -7.718 1.00 0.00 C ATOM 76 CD1 ILE A 5 -2.719 9.409 -6.343 1.00 0.00 C ATOM 0 H ILE A 5 -5.204 6.082 -8.348 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.694 8.076 -6.697 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.275 8.497 -8.417 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.627 9.006 -5.438 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.838 7.589 -6.101 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.551 10.897 -7.716 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.948 10.322 -8.657 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.065 10.462 -6.886 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.179 9.271 -5.406 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.116 9.031 -7.169 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.917 10.470 -6.495 1.00 0.00 H new ATOM 88 N ASP A 6 -8.275 8.071 -8.648 1.00 0.00 N ATOM 89 CA ASP A 6 -9.170 8.463 -9.725 1.00 0.00 C ATOM 90 C ASP A 6 -8.791 9.895 -10.100 1.00 0.00 C ATOM 91 O ASP A 6 -8.631 10.735 -9.210 1.00 0.00 O ATOM 92 CB ASP A 6 -10.603 8.403 -9.201 1.00 0.00 C ATOM 93 CG ASP A 6 -11.643 9.015 -10.138 1.00 0.00 C ATOM 94 OD1 ASP A 6 -11.404 9.220 -11.346 1.00 0.00 O ATOM 95 OD2 ASP A 6 -12.764 9.251 -9.650 1.00 0.00 O ATOM 0 H ASP A 6 -8.739 7.951 -7.748 1.00 0.00 H new ATOM 0 HA ASP A 6 -9.092 7.811 -10.595 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.866 7.362 -9.016 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.648 8.918 -8.242 1.00 0.00 H new ATOM 100 N VAL A 7 -8.652 10.202 -11.385 1.00 0.00 N ATOM 101 CA VAL A 7 -8.143 11.497 -11.843 1.00 0.00 C ATOM 102 C VAL A 7 -9.250 12.279 -12.573 1.00 0.00 C ATOM 103 O VAL A 7 -9.002 13.365 -13.103 1.00 0.00 O ATOM 104 CB VAL A 7 -6.825 11.305 -12.637 1.00 0.00 C ATOM 105 CG1 VAL A 7 -5.990 12.584 -12.696 1.00 0.00 C ATOM 106 CG2 VAL A 7 -5.909 10.218 -12.044 1.00 0.00 C ATOM 0 H VAL A 7 -8.889 9.561 -12.143 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.871 12.126 -10.995 1.00 0.00 H new ATOM 0 HB VAL A 7 -7.162 11.010 -13.631 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.078 12.397 -13.263 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.565 13.372 -13.183 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.731 12.896 -11.684 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.005 10.135 -12.647 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.640 10.486 -11.022 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.433 9.262 -12.042 1.00 0.00 H new ATOM 116 N ARG A 8 -10.491 11.767 -12.579 1.00 0.00 N ATOM 117 CA ARG A 8 -11.640 12.475 -13.134 1.00 0.00 C ATOM 118 C ARG A 8 -11.828 13.821 -12.461 1.00 0.00 C ATOM 119 O ARG A 8 -11.427 14.015 -11.308 1.00 0.00 O ATOM 120 CB ARG A 8 -12.926 11.656 -12.941 1.00 0.00 C ATOM 121 CG ARG A 8 -13.025 10.519 -13.959 1.00 0.00 C ATOM 122 CD ARG A 8 -14.221 9.603 -13.712 1.00 0.00 C ATOM 123 NE ARG A 8 -14.097 8.941 -12.417 1.00 0.00 N ATOM 124 CZ ARG A 8 -15.056 8.252 -11.804 1.00 0.00 C ATOM 125 NH1 ARG A 8 -16.231 8.004 -12.370 1.00 0.00 N ATOM 126 NH2 ARG A 8 -14.836 7.814 -10.586 1.00 0.00 N ATOM 0 H ARG A 8 -10.719 10.849 -12.197 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.446 12.621 -14.197 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -12.949 11.245 -11.932 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -13.793 12.310 -13.039 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -13.098 10.941 -14.961 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -12.109 9.929 -13.927 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -15.144 10.183 -13.744 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -14.285 8.857 -14.504 1.00 0.00 H new ATOM 0 HE ARG A 8 -13.198 9.013 -11.941 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -16.426 8.346 -13.311 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -16.939 7.471 -11.864 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.944 8.004 -10.129 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.557 7.284 -10.097 1.00 0.00 H new ATOM 140 N VAL A 9 -12.512 14.716 -13.177 1.00 0.00 N ATOM 141 CA VAL A 9 -13.015 15.955 -12.604 1.00 0.00 C ATOM 142 C VAL A 9 -13.858 15.588 -11.363 1.00 0.00 C ATOM 143 O VAL A 9 -14.493 14.525 -11.350 1.00 0.00 O ATOM 144 CB VAL A 9 -13.753 16.791 -13.675 1.00 0.00 C ATOM 145 CG1 VAL A 9 -12.772 17.243 -14.769 1.00 0.00 C ATOM 146 CG2 VAL A 9 -14.931 16.060 -14.333 1.00 0.00 C ATOM 0 H VAL A 9 -12.729 14.598 -14.167 1.00 0.00 H new ATOM 0 HA VAL A 9 -12.209 16.607 -12.267 1.00 0.00 H new ATOM 0 HB VAL A 9 -14.166 17.649 -13.144 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.306 17.831 -15.516 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.985 17.851 -14.323 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.329 16.368 -15.244 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -15.397 16.712 -15.072 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -14.570 15.156 -14.823 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.664 15.793 -13.572 1.00 0.00 H new ATOM 156 N PRO A 10 -13.906 16.434 -10.321 1.00 0.00 N ATOM 157 CA PRO A 10 -14.442 16.037 -9.020 1.00 0.00 C ATOM 158 C PRO A 10 -15.934 15.693 -9.057 1.00 0.00 C ATOM 159 O PRO A 10 -16.407 14.883 -8.258 1.00 0.00 O ATOM 160 CB PRO A 10 -14.123 17.201 -8.077 1.00 0.00 C ATOM 161 CG PRO A 10 -13.980 18.409 -9.004 1.00 0.00 C ATOM 162 CD PRO A 10 -13.443 17.814 -10.301 1.00 0.00 C ATOM 0 HA PRO A 10 -13.983 15.110 -8.677 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.919 17.351 -7.347 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -13.206 17.019 -7.516 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.936 18.909 -9.159 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -13.296 19.151 -8.591 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.812 18.364 -11.167 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.355 17.863 -10.333 1.00 0.00 H new ATOM 170 N GLU A 11 -16.689 16.267 -9.992 1.00 0.00 N ATOM 171 CA GLU A 11 -18.100 15.952 -10.178 1.00 0.00 C ATOM 172 C GLU A 11 -18.301 14.586 -10.842 1.00 0.00 C ATOM 173 O GLU A 11 -19.317 13.942 -10.585 1.00 0.00 O ATOM 174 CB GLU A 11 -18.745 17.052 -11.028 1.00 0.00 C ATOM 175 CG GLU A 11 -19.022 18.316 -10.202 1.00 0.00 C ATOM 176 CD GLU A 11 -19.686 19.413 -11.052 1.00 0.00 C ATOM 177 OE1 GLU A 11 -20.935 19.459 -11.130 1.00 0.00 O ATOM 178 OE2 GLU A 11 -18.969 20.258 -11.637 1.00 0.00 O ATOM 0 H GLU A 11 -16.335 16.967 -10.644 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.574 15.904 -9.198 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -18.089 17.299 -11.863 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.678 16.683 -11.454 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -19.667 18.067 -9.360 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -18.087 18.692 -9.787 1.00 0.00 H new ATOM 185 N GLN A 12 -17.358 14.119 -11.672 1.00 0.00 N ATOM 186 CA GLN A 12 -17.456 12.818 -12.330 1.00 0.00 C ATOM 187 C GLN A 12 -16.983 11.731 -11.366 1.00 0.00 C ATOM 188 O GLN A 12 -17.566 10.649 -11.345 1.00 0.00 O ATOM 189 CB GLN A 12 -16.663 12.811 -13.654 1.00 0.00 C ATOM 190 CG GLN A 12 -17.382 13.592 -14.767 1.00 0.00 C ATOM 191 CD GLN A 12 -18.682 12.914 -15.211 1.00 0.00 C ATOM 192 OE1 GLN A 12 -18.671 11.838 -15.803 1.00 0.00 O ATOM 193 NE2 GLN A 12 -19.829 13.512 -14.926 1.00 0.00 N ATOM 0 H GLN A 12 -16.509 14.635 -11.903 1.00 0.00 H new ATOM 0 HA GLN A 12 -18.495 12.615 -12.591 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -15.677 13.245 -13.487 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -16.508 11.782 -13.977 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -17.603 14.600 -14.415 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -16.717 13.692 -15.625 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -19.830 14.406 -14.434 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -20.711 13.079 -15.198 1.00 0.00 H new ATOM 202 N TYR A 13 -15.997 12.039 -10.515 1.00 0.00 N ATOM 203 CA TYR A 13 -15.557 11.165 -9.433 1.00 0.00 C ATOM 204 C TYR A 13 -16.738 10.677 -8.591 1.00 0.00 C ATOM 205 O TYR A 13 -16.893 9.475 -8.370 1.00 0.00 O ATOM 206 CB TYR A 13 -14.519 11.901 -8.573 1.00 0.00 C ATOM 207 CG TYR A 13 -14.452 11.491 -7.108 1.00 0.00 C ATOM 208 CD1 TYR A 13 -14.120 10.171 -6.742 1.00 0.00 C ATOM 209 CD2 TYR A 13 -14.687 12.450 -6.103 1.00 0.00 C ATOM 210 CE1 TYR A 13 -13.966 9.828 -5.388 1.00 0.00 C ATOM 211 CE2 TYR A 13 -14.580 12.102 -4.745 1.00 0.00 C ATOM 212 CZ TYR A 13 -14.207 10.789 -4.380 1.00 0.00 C ATOM 213 OH TYR A 13 -14.063 10.469 -3.063 1.00 0.00 O ATOM 0 H TYR A 13 -15.478 12.916 -10.564 1.00 0.00 H new ATOM 0 HA TYR A 13 -15.093 10.278 -9.863 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -13.535 11.749 -9.017 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.729 12.970 -8.621 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -13.983 9.420 -7.506 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -14.951 13.460 -6.378 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -13.663 8.828 -5.117 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -14.783 12.838 -3.981 1.00 0.00 H new ATOM 0 HH TYR A 13 -14.269 11.253 -2.512 1.00 0.00 H new ATOM 223 N GLN A 14 -17.586 11.611 -8.146 1.00 0.00 N ATOM 224 CA GLN A 14 -18.656 11.327 -7.195 1.00 0.00 C ATOM 225 C GLN A 14 -19.738 10.403 -7.766 1.00 0.00 C ATOM 226 O GLN A 14 -20.483 9.810 -6.983 1.00 0.00 O ATOM 227 CB GLN A 14 -19.277 12.653 -6.721 1.00 0.00 C ATOM 228 CG GLN A 14 -18.332 13.425 -5.789 1.00 0.00 C ATOM 229 CD GLN A 14 -18.819 14.853 -5.554 1.00 0.00 C ATOM 230 OE1 GLN A 14 -19.695 15.109 -4.730 1.00 0.00 O ATOM 231 NE2 GLN A 14 -18.266 15.813 -6.278 1.00 0.00 N ATOM 0 H GLN A 14 -17.546 12.587 -8.439 1.00 0.00 H new ATOM 0 HA GLN A 14 -18.214 10.794 -6.353 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -19.519 13.271 -7.586 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -20.214 12.450 -6.202 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -18.255 12.904 -4.835 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -17.332 13.447 -6.221 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -17.540 15.585 -6.958 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -18.565 16.780 -6.156 1.00 0.00 H new ATOM 240 N GLN A 15 -19.852 10.277 -9.096 1.00 0.00 N ATOM 241 CA GLN A 15 -20.933 9.516 -9.716 1.00 0.00 C ATOM 242 C GLN A 15 -20.833 8.036 -9.328 1.00 0.00 C ATOM 243 O GLN A 15 -21.837 7.445 -8.936 1.00 0.00 O ATOM 244 CB GLN A 15 -20.928 9.706 -11.245 1.00 0.00 C ATOM 245 CG GLN A 15 -21.030 11.178 -11.690 1.00 0.00 C ATOM 246 CD GLN A 15 -22.245 11.914 -11.119 1.00 0.00 C ATOM 247 OE1 GLN A 15 -23.379 11.445 -11.194 1.00 0.00 O ATOM 248 NE2 GLN A 15 -22.035 13.078 -10.528 1.00 0.00 N ATOM 0 H GLN A 15 -19.203 10.697 -9.761 1.00 0.00 H new ATOM 0 HA GLN A 15 -21.886 9.894 -9.345 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -20.013 9.276 -11.652 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -21.761 9.148 -11.674 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -20.124 11.703 -11.387 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -21.072 11.217 -12.778 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -21.090 13.458 -10.471 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -22.818 13.596 -10.129 1.00 0.00 H new ATOM 257 N GLU A 16 -19.629 7.466 -9.384 1.00 0.00 N ATOM 258 CA GLU A 16 -19.230 6.152 -8.879 1.00 0.00 C ATOM 259 C GLU A 16 -17.720 6.066 -9.119 1.00 0.00 C ATOM 260 O GLU A 16 -17.243 6.627 -10.108 1.00 0.00 O ATOM 261 CB GLU A 16 -19.968 4.991 -9.587 1.00 0.00 C ATOM 262 CG GLU A 16 -19.743 4.924 -11.107 1.00 0.00 C ATOM 263 CD GLU A 16 -20.568 3.811 -11.768 1.00 0.00 C ATOM 264 OE1 GLU A 16 -21.792 3.983 -11.966 1.00 0.00 O ATOM 265 OE2 GLU A 16 -19.988 2.771 -12.155 1.00 0.00 O ATOM 0 H GLU A 16 -18.844 7.951 -9.819 1.00 0.00 H new ATOM 0 HA GLU A 16 -19.490 6.051 -7.825 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.647 4.049 -9.143 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -21.037 5.086 -9.395 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -20.006 5.883 -11.554 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.685 4.758 -11.309 1.00 0.00 H new ATOM 272 N HIS A 17 -16.957 5.376 -8.272 1.00 0.00 N ATOM 273 CA HIS A 17 -15.520 5.166 -8.456 1.00 0.00 C ATOM 274 C HIS A 17 -15.129 3.809 -7.870 1.00 0.00 C ATOM 275 O HIS A 17 -15.861 3.275 -7.036 1.00 0.00 O ATOM 276 CB HIS A 17 -14.725 6.322 -7.822 1.00 0.00 C ATOM 277 CG HIS A 17 -14.422 6.193 -6.352 1.00 0.00 C ATOM 278 ND1 HIS A 17 -15.324 5.990 -5.331 1.00 0.00 N ATOM 279 CD2 HIS A 17 -13.182 6.318 -5.783 1.00 0.00 C ATOM 280 CE1 HIS A 17 -14.638 6.005 -4.174 1.00 0.00 C ATOM 281 NE2 HIS A 17 -13.326 6.206 -4.395 1.00 0.00 N ATOM 0 H HIS A 17 -17.324 4.940 -7.426 1.00 0.00 H new ATOM 0 HA HIS A 17 -15.278 5.158 -9.519 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -13.782 6.424 -8.359 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -15.282 7.246 -7.977 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -16.330 5.853 -5.434 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -12.254 6.476 -6.313 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -15.081 5.873 -3.198 1.00 0.00 H new ATOM 289 N VAL A 18 -14.007 3.239 -8.311 1.00 0.00 N ATOM 290 CA VAL A 18 -13.533 1.936 -7.858 1.00 0.00 C ATOM 291 C VAL A 18 -13.286 1.998 -6.346 1.00 0.00 C ATOM 292 O VAL A 18 -12.700 2.956 -5.837 1.00 0.00 O ATOM 293 CB VAL A 18 -12.285 1.507 -8.662 1.00 0.00 C ATOM 294 CG1 VAL A 18 -11.748 0.148 -8.200 1.00 0.00 C ATOM 295 CG2 VAL A 18 -12.604 1.399 -10.165 1.00 0.00 C ATOM 0 H VAL A 18 -13.396 3.677 -9.001 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.286 1.169 -8.040 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.533 2.276 -8.488 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.871 -0.116 -8.791 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.473 0.204 -7.147 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.518 -0.612 -8.334 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.708 1.096 -10.706 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.389 0.658 -10.318 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -12.942 2.367 -10.536 1.00 0.00 H new ATOM 305 N GLN A 19 -13.754 0.969 -5.634 1.00 0.00 N ATOM 306 CA GLN A 19 -13.618 0.844 -4.190 1.00 0.00 C ATOM 307 C GLN A 19 -12.131 0.876 -3.793 1.00 0.00 C ATOM 308 O GLN A 19 -11.289 0.293 -4.482 1.00 0.00 O ATOM 309 CB GLN A 19 -14.311 -0.464 -3.766 1.00 0.00 C ATOM 310 CG GLN A 19 -14.463 -0.622 -2.247 1.00 0.00 C ATOM 311 CD GLN A 19 -15.165 -1.937 -1.901 1.00 0.00 C ATOM 312 OE1 GLN A 19 -14.529 -2.974 -1.732 1.00 0.00 O ATOM 313 NE2 GLN A 19 -16.486 -1.937 -1.798 1.00 0.00 N ATOM 0 H GLN A 19 -14.248 0.185 -6.060 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.093 1.679 -3.675 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -15.298 -0.507 -4.227 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.741 -1.308 -4.154 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -13.481 -0.594 -1.775 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.033 0.216 -1.846 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -17.009 -1.073 -1.939 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -16.980 -2.801 -1.577 1.00 0.00 H new ATOM 322 N GLY A 20 -11.816 1.506 -2.655 1.00 0.00 N ATOM 323 CA GLY A 20 -10.469 1.502 -2.090 1.00 0.00 C ATOM 324 C GLY A 20 -9.518 2.427 -2.852 1.00 0.00 C ATOM 325 O GLY A 20 -8.397 2.025 -3.169 1.00 0.00 O ATOM 0 H GLY A 20 -12.492 2.033 -2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.514 1.811 -1.046 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -10.074 0.486 -2.105 1.00 0.00 H new ATOM 329 N ALA A 21 -9.964 3.647 -3.169 1.00 0.00 N ATOM 330 CA ALA A 21 -9.200 4.658 -3.896 1.00 0.00 C ATOM 331 C ALA A 21 -9.457 6.048 -3.293 1.00 0.00 C ATOM 332 O ALA A 21 -10.290 6.207 -2.396 1.00 0.00 O ATOM 333 CB ALA A 21 -9.607 4.613 -5.377 1.00 0.00 C ATOM 0 H ALA A 21 -10.899 3.966 -2.916 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.133 4.453 -3.813 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.044 5.363 -5.932 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.393 3.624 -5.783 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.673 4.819 -5.468 1.00 0.00 H new ATOM 339 N ILE A 22 -8.756 7.054 -3.814 1.00 0.00 N ATOM 340 CA ILE A 22 -8.976 8.479 -3.563 1.00 0.00 C ATOM 341 C ILE A 22 -9.254 9.123 -4.931 1.00 0.00 C ATOM 342 O ILE A 22 -9.063 8.475 -5.963 1.00 0.00 O ATOM 343 CB ILE A 22 -7.752 9.061 -2.800 1.00 0.00 C ATOM 344 CG1 ILE A 22 -8.004 10.476 -2.237 1.00 0.00 C ATOM 345 CG2 ILE A 22 -6.475 9.072 -3.658 1.00 0.00 C ATOM 346 CD1 ILE A 22 -6.860 10.996 -1.355 1.00 0.00 C ATOM 0 H ILE A 22 -7.980 6.890 -4.455 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.831 8.683 -2.918 1.00 0.00 H new ATOM 0 HB ILE A 22 -7.604 8.384 -1.958 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.156 11.167 -3.066 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.926 10.468 -1.656 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.651 9.488 -3.078 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.230 8.053 -3.959 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.638 9.683 -4.546 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.104 11.995 -0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.722 10.327 -0.506 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.940 11.036 -1.938 1.00 0.00 H new ATOM 358 N ASN A 23 -9.666 10.391 -4.975 1.00 0.00 N ATOM 359 CA ASN A 23 -9.735 11.162 -6.213 1.00 0.00 C ATOM 360 C ASN A 23 -8.931 12.429 -6.035 1.00 0.00 C ATOM 361 O ASN A 23 -9.105 13.139 -5.044 1.00 0.00 O ATOM 362 CB ASN A 23 -11.174 11.504 -6.601 1.00 0.00 C ATOM 363 CG ASN A 23 -11.296 12.656 -7.607 1.00 0.00 C ATOM 364 OD1 ASN A 23 -11.869 13.696 -7.300 1.00 0.00 O ATOM 365 ND2 ASN A 23 -10.776 12.517 -8.817 1.00 0.00 N ATOM 0 H ASN A 23 -9.962 10.912 -4.149 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.325 10.556 -7.021 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.646 10.616 -7.023 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.730 11.763 -5.700 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.852 13.275 -9.495 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.300 11.652 -9.071 1.00 0.00 H new ATOM 372 N ILE A 24 -8.081 12.712 -7.016 1.00 0.00 N ATOM 373 CA ILE A 24 -7.373 13.969 -7.131 1.00 0.00 C ATOM 374 C ILE A 24 -7.428 14.292 -8.632 1.00 0.00 C ATOM 375 O ILE A 24 -6.715 13.646 -9.399 1.00 0.00 O ATOM 376 CB ILE A 24 -5.935 13.894 -6.561 1.00 0.00 C ATOM 377 CG1 ILE A 24 -5.825 13.172 -5.194 1.00 0.00 C ATOM 378 CG2 ILE A 24 -5.463 15.346 -6.417 1.00 0.00 C ATOM 379 CD1 ILE A 24 -4.391 13.048 -4.662 1.00 0.00 C ATOM 0 H ILE A 24 -7.865 12.056 -7.766 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.826 14.762 -6.537 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.321 13.303 -7.240 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.427 13.710 -4.462 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.254 12.174 -5.287 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.449 15.361 -6.017 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.475 15.831 -7.393 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.129 15.879 -5.738 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.402 12.531 -3.702 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.787 12.482 -5.372 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.963 14.042 -4.534 1.00 0.00 H new ATOM 391 N PRO A 25 -8.332 15.186 -9.075 1.00 0.00 N ATOM 392 CA PRO A 25 -8.546 15.493 -10.487 1.00 0.00 C ATOM 393 C PRO A 25 -7.274 15.885 -11.240 1.00 0.00 C ATOM 394 O PRO A 25 -6.337 16.406 -10.642 1.00 0.00 O ATOM 395 CB PRO A 25 -9.544 16.651 -10.506 1.00 0.00 C ATOM 396 CG PRO A 25 -10.329 16.482 -9.207 1.00 0.00 C ATOM 397 CD PRO A 25 -9.310 15.881 -8.249 1.00 0.00 C ATOM 0 HA PRO A 25 -8.907 14.601 -10.999 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.037 17.615 -10.543 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.197 16.601 -11.377 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.709 17.436 -8.841 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.189 15.826 -9.341 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.833 16.658 -7.652 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.790 15.193 -7.553 1.00 0.00 H new ATOM 405 N LEU A 26 -7.271 15.769 -12.572 1.00 0.00 N ATOM 406 CA LEU A 26 -6.144 16.205 -13.410 1.00 0.00 C ATOM 407 C LEU A 26 -5.787 17.681 -13.176 1.00 0.00 C ATOM 408 O LEU A 26 -4.611 18.040 -13.170 1.00 0.00 O ATOM 409 CB LEU A 26 -6.471 15.937 -14.889 1.00 0.00 C ATOM 410 CG LEU A 26 -5.413 16.409 -15.907 1.00 0.00 C ATOM 411 CD1 LEU A 26 -4.077 15.681 -15.726 1.00 0.00 C ATOM 412 CD2 LEU A 26 -5.929 16.134 -17.324 1.00 0.00 C ATOM 0 H LEU A 26 -8.047 15.371 -13.101 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.264 15.627 -13.128 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.621 14.865 -15.020 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.418 16.423 -15.126 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.246 17.474 -15.745 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.362 16.045 -16.464 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.693 15.870 -14.724 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.225 14.610 -15.862 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.188 16.464 -18.052 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.106 15.065 -17.446 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.861 16.676 -17.484 1.00 0.00 H new ATOM 424 N LYS A 27 -6.790 18.532 -12.931 1.00 0.00 N ATOM 425 CA LYS A 27 -6.596 19.959 -12.646 1.00 0.00 C ATOM 426 C LYS A 27 -6.067 20.217 -11.225 1.00 0.00 C ATOM 427 O LYS A 27 -5.829 21.370 -10.868 1.00 0.00 O ATOM 428 CB LYS A 27 -7.921 20.715 -12.868 1.00 0.00 C ATOM 429 CG LYS A 27 -8.415 20.635 -14.323 1.00 0.00 C ATOM 430 CD LYS A 27 -9.692 21.464 -14.519 1.00 0.00 C ATOM 431 CE LYS A 27 -10.162 21.373 -15.977 1.00 0.00 C ATOM 432 NZ LYS A 27 -11.382 22.180 -16.226 1.00 0.00 N ATOM 0 H LYS A 27 -7.769 18.247 -12.925 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.835 20.328 -13.334 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.684 20.304 -12.207 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.788 21.761 -12.591 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.637 20.996 -14.995 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.608 19.596 -14.588 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.475 21.102 -13.853 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.504 22.504 -14.254 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.363 21.713 -16.636 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.361 20.331 -16.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.662 22.088 -17.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.153 21.840 -15.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.187 23.179 -16.012 1.00 0.00 H new ATOM 446 N GLU A 28 -5.900 19.179 -10.402 1.00 0.00 N ATOM 447 CA GLU A 28 -5.642 19.280 -8.967 1.00 0.00 C ATOM 448 C GLU A 28 -4.482 18.375 -8.517 1.00 0.00 C ATOM 449 O GLU A 28 -3.936 18.581 -7.431 1.00 0.00 O ATOM 450 CB GLU A 28 -6.944 18.891 -8.233 1.00 0.00 C ATOM 451 CG GLU A 28 -8.122 19.871 -8.417 1.00 0.00 C ATOM 452 CD GLU A 28 -7.836 21.299 -7.903 1.00 0.00 C ATOM 453 OE1 GLU A 28 -6.980 21.481 -7.006 1.00 0.00 O ATOM 454 OE2 GLU A 28 -8.498 22.251 -8.375 1.00 0.00 O ATOM 0 H GLU A 28 -5.942 18.214 -10.729 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.344 20.301 -8.727 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.256 17.905 -8.578 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.729 18.803 -7.168 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.378 19.921 -9.475 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.995 19.476 -7.896 1.00 0.00 H new ATOM 461 N VAL A 29 -4.096 17.378 -9.323 1.00 0.00 N ATOM 462 CA VAL A 29 -3.131 16.348 -8.945 1.00 0.00 C ATOM 463 C VAL A 29 -1.720 16.914 -8.796 1.00 0.00 C ATOM 464 O VAL A 29 -1.016 16.535 -7.861 1.00 0.00 O ATOM 465 CB VAL A 29 -3.248 15.144 -9.913 1.00 0.00 C ATOM 466 CG1 VAL A 29 -2.775 15.440 -11.344 1.00 0.00 C ATOM 467 CG2 VAL A 29 -2.522 13.903 -9.378 1.00 0.00 C ATOM 0 H VAL A 29 -4.454 17.266 -10.272 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.369 15.971 -7.950 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.318 14.943 -9.965 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.890 14.546 -11.957 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.373 16.248 -11.765 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.726 15.736 -11.327 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.630 13.084 -10.089 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.464 14.130 -9.244 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.955 13.613 -8.421 1.00 0.00 H new ATOM 477 N LYS A 30 -1.315 17.870 -9.640 1.00 0.00 N ATOM 478 CA LYS A 30 0.026 18.458 -9.582 1.00 0.00 C ATOM 479 C LYS A 30 0.294 19.104 -8.217 1.00 0.00 C ATOM 480 O LYS A 30 1.427 19.085 -7.740 1.00 0.00 O ATOM 481 CB LYS A 30 0.187 19.456 -10.744 1.00 0.00 C ATOM 482 CG LYS A 30 1.621 20.002 -10.864 1.00 0.00 C ATOM 483 CD LYS A 30 1.818 20.936 -12.068 1.00 0.00 C ATOM 484 CE LYS A 30 1.704 20.197 -13.411 1.00 0.00 C ATOM 485 NZ LYS A 30 1.960 21.097 -14.565 1.00 0.00 N ATOM 0 H LYS A 30 -1.904 18.255 -10.378 1.00 0.00 H new ATOM 0 HA LYS A 30 0.774 17.673 -9.695 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.091 18.968 -11.678 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.503 20.288 -10.602 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.875 20.540 -9.951 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.315 19.165 -10.945 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.075 21.733 -12.031 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.797 21.410 -12.000 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.414 19.370 -13.431 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.708 19.764 -13.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.873 20.559 -15.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.267 21.872 -14.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.920 21.491 -14.492 1.00 0.00 H new ATOM 499 N GLU A 31 -0.745 19.631 -7.567 1.00 0.00 N ATOM 500 CA GLU A 31 -0.631 20.316 -6.283 1.00 0.00 C ATOM 501 C GLU A 31 -0.489 19.338 -5.106 1.00 0.00 C ATOM 502 O GLU A 31 -0.140 19.767 -4.004 1.00 0.00 O ATOM 503 CB GLU A 31 -1.886 21.180 -6.059 1.00 0.00 C ATOM 504 CG GLU A 31 -2.142 22.237 -7.146 1.00 0.00 C ATOM 505 CD GLU A 31 -0.996 23.259 -7.258 1.00 0.00 C ATOM 506 OE1 GLU A 31 -0.919 24.189 -6.422 1.00 0.00 O ATOM 507 OE2 GLU A 31 -0.171 23.157 -8.193 1.00 0.00 O ATOM 0 H GLU A 31 -1.700 19.592 -7.924 1.00 0.00 H new ATOM 0 HA GLU A 31 0.270 20.929 -6.319 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.755 20.525 -5.997 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.797 21.683 -5.096 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.276 21.740 -8.107 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.072 22.762 -6.926 1.00 0.00 H new ATOM 514 N ARG A 32 -0.767 18.040 -5.303 1.00 0.00 N ATOM 515 CA ARG A 32 -0.936 17.077 -4.205 1.00 0.00 C ATOM 516 C ARG A 32 -0.128 15.801 -4.381 1.00 0.00 C ATOM 517 O ARG A 32 0.156 15.146 -3.382 1.00 0.00 O ATOM 518 CB ARG A 32 -2.431 16.735 -4.080 1.00 0.00 C ATOM 519 CG ARG A 32 -3.234 17.899 -3.483 1.00 0.00 C ATOM 520 CD ARG A 32 -4.733 17.687 -3.691 1.00 0.00 C ATOM 521 NE ARG A 32 -5.514 18.864 -3.272 1.00 0.00 N ATOM 522 CZ ARG A 32 -5.872 19.888 -4.060 1.00 0.00 C ATOM 523 NH1 ARG A 32 -5.426 19.993 -5.307 1.00 0.00 N ATOM 524 NH2 ARG A 32 -6.698 20.821 -3.599 1.00 0.00 N ATOM 0 H ARG A 32 -0.881 17.629 -6.229 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.558 17.549 -3.298 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.830 16.485 -5.063 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.551 15.852 -3.453 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.019 17.987 -2.418 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.926 18.835 -3.948 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.928 17.477 -4.743 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.059 16.814 -3.125 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.808 18.903 -2.296 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.797 19.285 -5.685 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.713 20.782 -5.887 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.059 20.758 -2.647 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.971 21.601 -4.197 1.00 0.00 H new ATOM 538 N ILE A 33 0.274 15.438 -5.601 1.00 0.00 N ATOM 539 CA ILE A 33 1.022 14.209 -5.849 1.00 0.00 C ATOM 540 C ILE A 33 2.293 14.152 -4.986 1.00 0.00 C ATOM 541 O ILE A 33 2.609 13.090 -4.453 1.00 0.00 O ATOM 542 CB ILE A 33 1.268 14.030 -7.367 1.00 0.00 C ATOM 543 CG1 ILE A 33 1.949 12.681 -7.691 1.00 0.00 C ATOM 544 CG2 ILE A 33 2.055 15.193 -8.008 1.00 0.00 C ATOM 545 CD1 ILE A 33 1.077 11.461 -7.373 1.00 0.00 C ATOM 0 H ILE A 33 0.090 15.987 -6.440 1.00 0.00 H new ATOM 0 HA ILE A 33 0.431 13.348 -5.538 1.00 0.00 H new ATOM 0 HB ILE A 33 0.274 14.035 -7.814 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.214 12.662 -8.748 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.879 12.609 -7.128 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.189 14.999 -9.072 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.502 16.123 -7.876 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.030 15.280 -7.529 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.620 10.550 -7.626 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.833 11.455 -6.311 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.157 11.509 -7.956 1.00 0.00 H new ATOM 557 N ALA A 34 2.944 15.304 -4.767 1.00 0.00 N ATOM 558 CA ALA A 34 4.167 15.440 -3.981 1.00 0.00 C ATOM 559 C ALA A 34 4.061 14.884 -2.552 1.00 0.00 C ATOM 560 O ALA A 34 5.088 14.525 -1.973 1.00 0.00 O ATOM 561 CB ALA A 34 4.573 16.918 -3.941 1.00 0.00 C ATOM 0 H ALA A 34 2.618 16.193 -5.147 1.00 0.00 H new ATOM 0 HA ALA A 34 4.928 14.836 -4.476 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.486 17.029 -3.356 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.747 17.275 -4.956 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.775 17.502 -3.483 1.00 0.00 H new ATOM 567 N THR A 35 2.859 14.813 -1.976 1.00 0.00 N ATOM 568 CA THR A 35 2.624 14.401 -0.600 1.00 0.00 C ATOM 569 C THR A 35 1.667 13.204 -0.543 1.00 0.00 C ATOM 570 O THR A 35 1.811 12.353 0.337 1.00 0.00 O ATOM 571 CB THR A 35 2.092 15.617 0.180 1.00 0.00 C ATOM 572 OG1 THR A 35 1.142 16.343 -0.584 1.00 0.00 O ATOM 573 CG2 THR A 35 3.229 16.575 0.555 1.00 0.00 C ATOM 0 H THR A 35 2.000 15.049 -2.473 1.00 0.00 H new ATOM 0 HA THR A 35 3.553 14.065 -0.139 1.00 0.00 H new ATOM 0 HB THR A 35 1.621 15.226 1.082 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.820 17.108 -0.064 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.823 17.424 1.105 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.954 16.052 1.178 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.719 16.931 -0.351 1.00 0.00 H new ATOM 581 N ALA A 36 0.743 13.079 -1.506 1.00 0.00 N ATOM 582 CA ALA A 36 -0.097 11.900 -1.675 1.00 0.00 C ATOM 583 C ALA A 36 0.751 10.660 -1.998 1.00 0.00 C ATOM 584 O ALA A 36 0.391 9.554 -1.593 1.00 0.00 O ATOM 585 CB ALA A 36 -1.128 12.157 -2.781 1.00 0.00 C ATOM 0 H ALA A 36 0.561 13.808 -2.196 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.620 11.705 -0.739 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.755 11.274 -2.906 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.751 13.009 -2.507 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.612 12.371 -3.717 1.00 0.00 H new ATOM 591 N VAL A 37 1.882 10.843 -2.688 1.00 0.00 N ATOM 592 CA VAL A 37 2.845 9.802 -3.023 1.00 0.00 C ATOM 593 C VAL A 37 4.218 10.423 -2.699 1.00 0.00 C ATOM 594 O VAL A 37 4.790 11.129 -3.530 1.00 0.00 O ATOM 595 CB VAL A 37 2.664 9.348 -4.490 1.00 0.00 C ATOM 596 CG1 VAL A 37 3.570 8.149 -4.798 1.00 0.00 C ATOM 597 CG2 VAL A 37 1.215 8.921 -4.799 1.00 0.00 C ATOM 0 H VAL A 37 2.158 11.760 -3.040 1.00 0.00 H new ATOM 0 HA VAL A 37 2.719 8.881 -2.454 1.00 0.00 H new ATOM 0 HB VAL A 37 2.925 10.209 -5.106 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.429 7.843 -5.835 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.611 8.430 -4.641 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.314 7.321 -4.138 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.141 8.611 -5.841 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.935 8.089 -4.153 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.543 9.760 -4.622 1.00 0.00 H new ATOM 607 N PRO A 38 4.735 10.241 -1.469 1.00 0.00 N ATOM 608 CA PRO A 38 5.874 11.004 -0.961 1.00 0.00 C ATOM 609 C PRO A 38 7.234 10.679 -1.601 1.00 0.00 C ATOM 610 O PRO A 38 8.210 11.370 -1.296 1.00 0.00 O ATOM 611 CB PRO A 38 5.879 10.757 0.553 1.00 0.00 C ATOM 612 CG PRO A 38 5.237 9.380 0.692 1.00 0.00 C ATOM 613 CD PRO A 38 4.196 9.382 -0.424 1.00 0.00 C ATOM 0 HA PRO A 38 5.746 12.054 -1.223 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.891 10.771 0.958 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.312 11.520 1.086 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.965 8.579 0.565 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.780 9.243 1.672 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.022 8.373 -0.798 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.238 9.758 -0.064 1.00 0.00 H new ATOM 621 N ASP A 39 7.343 9.665 -2.466 1.00 0.00 N ATOM 622 CA ASP A 39 8.592 9.315 -3.146 1.00 0.00 C ATOM 623 C ASP A 39 8.275 8.777 -4.539 1.00 0.00 C ATOM 624 O ASP A 39 7.311 8.024 -4.705 1.00 0.00 O ATOM 625 CB ASP A 39 9.363 8.266 -2.333 1.00 0.00 C ATOM 626 CG ASP A 39 10.725 7.974 -2.979 1.00 0.00 C ATOM 627 OD1 ASP A 39 10.772 7.202 -3.959 1.00 0.00 O ATOM 628 OD2 ASP A 39 11.746 8.530 -2.514 1.00 0.00 O ATOM 0 H ASP A 39 6.560 9.060 -2.715 1.00 0.00 H new ATOM 0 HA ASP A 39 9.215 10.205 -3.237 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.507 8.623 -1.313 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.780 7.347 -2.270 1.00 0.00 H new ATOM 633 N LYS A 40 9.071 9.166 -5.544 1.00 0.00 N ATOM 634 CA LYS A 40 8.816 8.826 -6.945 1.00 0.00 C ATOM 635 C LYS A 40 8.783 7.326 -7.226 1.00 0.00 C ATOM 636 O LYS A 40 8.187 6.935 -8.227 1.00 0.00 O ATOM 637 CB LYS A 40 9.777 9.579 -7.887 1.00 0.00 C ATOM 638 CG LYS A 40 11.288 9.287 -7.754 1.00 0.00 C ATOM 639 CD LYS A 40 11.833 7.994 -8.395 1.00 0.00 C ATOM 640 CE LYS A 40 11.473 7.881 -9.883 1.00 0.00 C ATOM 641 NZ LYS A 40 12.020 6.666 -10.529 1.00 0.00 N ATOM 0 H LYS A 40 9.912 9.727 -5.405 1.00 0.00 H new ATOM 0 HA LYS A 40 7.803 9.168 -7.157 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.482 9.359 -8.913 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.627 10.648 -7.734 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.830 10.128 -8.185 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.531 9.262 -6.692 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.917 7.965 -8.283 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.435 7.131 -7.861 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.388 7.882 -9.988 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.845 8.761 -10.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.799 6.684 -11.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.051 6.638 -10.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.594 5.821 -10.097 1.00 0.00 H new ATOM 655 N ASN A 41 9.432 6.497 -6.403 1.00 0.00 N ATOM 656 CA ASN A 41 9.529 5.058 -6.635 1.00 0.00 C ATOM 657 C ASN A 41 8.223 4.341 -6.290 1.00 0.00 C ATOM 658 O ASN A 41 7.988 3.232 -6.769 1.00 0.00 O ATOM 659 CB ASN A 41 10.670 4.473 -5.789 1.00 0.00 C ATOM 660 CG ASN A 41 10.855 2.977 -6.035 1.00 0.00 C ATOM 661 OD1 ASN A 41 11.244 2.558 -7.121 1.00 0.00 O ATOM 662 ND2 ASN A 41 10.613 2.143 -5.036 1.00 0.00 N ATOM 0 H ASN A 41 9.905 6.809 -5.555 1.00 0.00 H new ATOM 0 HA ASN A 41 9.730 4.904 -7.695 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.598 4.996 -6.020 1.00 0.00 H new ATOM 0 HB3 ASN A 41 10.463 4.644 -4.733 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.750 1.140 -5.164 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.290 2.503 -4.138 1.00 0.00 H new ATOM 669 N ASP A 42 7.396 4.929 -5.421 1.00 0.00 N ATOM 670 CA ASP A 42 6.197 4.263 -4.923 1.00 0.00 C ATOM 671 C ASP A 42 5.151 4.127 -6.034 1.00 0.00 C ATOM 672 O ASP A 42 5.034 5.000 -6.899 1.00 0.00 O ATOM 673 CB ASP A 42 5.625 5.011 -3.721 1.00 0.00 C ATOM 674 CG ASP A 42 4.476 4.224 -3.081 1.00 0.00 C ATOM 675 OD1 ASP A 42 4.598 2.982 -2.984 1.00 0.00 O ATOM 676 OD2 ASP A 42 3.489 4.850 -2.640 1.00 0.00 O ATOM 0 H ASP A 42 7.539 5.868 -5.049 1.00 0.00 H new ATOM 0 HA ASP A 42 6.473 3.260 -4.596 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.411 5.178 -2.984 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.268 5.992 -4.035 1.00 0.00 H new ATOM 681 N THR A 43 4.413 3.019 -6.033 1.00 0.00 N ATOM 682 CA THR A 43 3.535 2.649 -7.137 1.00 0.00 C ATOM 683 C THR A 43 2.250 3.479 -7.076 1.00 0.00 C ATOM 684 O THR A 43 1.714 3.724 -5.990 1.00 0.00 O ATOM 685 CB THR A 43 3.206 1.141 -7.085 1.00 0.00 C ATOM 686 OG1 THR A 43 4.259 0.376 -6.525 1.00 0.00 O ATOM 687 CG2 THR A 43 2.895 0.587 -8.479 1.00 0.00 C ATOM 0 H THR A 43 4.408 2.351 -5.262 1.00 0.00 H new ATOM 0 HA THR A 43 4.045 2.854 -8.078 1.00 0.00 H new ATOM 0 HB THR A 43 2.328 1.054 -6.445 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.088 0.233 -5.571 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.668 -0.477 -8.406 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.037 1.113 -8.897 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.759 0.730 -9.128 1.00 0.00 H new ATOM 695 N VAL A 44 1.699 3.842 -8.235 1.00 0.00 N ATOM 696 CA VAL A 44 0.426 4.543 -8.336 1.00 0.00 C ATOM 697 C VAL A 44 -0.348 3.909 -9.488 1.00 0.00 C ATOM 698 O VAL A 44 0.233 3.595 -10.529 1.00 0.00 O ATOM 699 CB VAL A 44 0.638 6.055 -8.579 1.00 0.00 C ATOM 700 CG1 VAL A 44 -0.620 6.847 -8.193 1.00 0.00 C ATOM 701 CG2 VAL A 44 1.835 6.660 -7.827 1.00 0.00 C ATOM 0 H VAL A 44 2.132 3.653 -9.139 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.131 4.453 -7.404 1.00 0.00 H new ATOM 0 HB VAL A 44 0.849 6.137 -9.645 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.450 7.909 -8.371 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.463 6.508 -8.796 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.841 6.687 -7.138 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.909 7.723 -8.056 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.695 6.528 -6.754 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.751 6.158 -8.138 1.00 0.00 H new ATOM 711 N LYS A 45 -1.660 3.755 -9.328 1.00 0.00 N ATOM 712 CA LYS A 45 -2.554 3.282 -10.373 1.00 0.00 C ATOM 713 C LYS A 45 -3.638 4.329 -10.555 1.00 0.00 C ATOM 714 O LYS A 45 -4.133 4.887 -9.573 1.00 0.00 O ATOM 715 CB LYS A 45 -3.100 1.892 -10.012 1.00 0.00 C ATOM 716 CG LYS A 45 -2.034 0.830 -10.327 1.00 0.00 C ATOM 717 CD LYS A 45 -2.447 -0.574 -9.882 1.00 0.00 C ATOM 718 CE LYS A 45 -1.342 -1.565 -10.277 1.00 0.00 C ATOM 719 NZ LYS A 45 -1.462 -2.857 -9.561 1.00 0.00 N ATOM 0 H LYS A 45 -2.137 3.960 -8.450 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.036 3.156 -11.324 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.365 1.856 -8.955 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.010 1.689 -10.576 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.840 0.824 -11.399 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.100 1.102 -9.835 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.606 -0.596 -8.804 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.391 -0.855 -10.349 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.384 -1.743 -11.352 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.368 -1.124 -10.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.782 -3.537 -9.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.261 -2.714 -8.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.427 -3.228 -9.673 1.00 0.00 H new ATOM 733 N VAL A 46 -3.980 4.624 -11.805 1.00 0.00 N ATOM 734 CA VAL A 46 -4.860 5.732 -12.150 1.00 0.00 C ATOM 735 C VAL A 46 -5.853 5.266 -13.212 1.00 0.00 C ATOM 736 O VAL A 46 -5.496 4.488 -14.100 1.00 0.00 O ATOM 737 CB VAL A 46 -4.024 6.963 -12.583 1.00 0.00 C ATOM 738 CG1 VAL A 46 -3.230 7.560 -11.411 1.00 0.00 C ATOM 739 CG2 VAL A 46 -3.027 6.691 -13.723 1.00 0.00 C ATOM 0 H VAL A 46 -3.651 4.096 -12.613 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.439 6.051 -11.283 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.776 7.664 -12.945 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.659 8.420 -11.759 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.919 7.875 -10.628 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.548 6.808 -11.013 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.486 7.607 -13.960 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.319 5.922 -13.412 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.568 6.350 -14.606 1.00 0.00 H new ATOM 749 N TYR A 47 -7.098 5.729 -13.136 1.00 0.00 N ATOM 750 CA TYR A 47 -8.176 5.387 -14.060 1.00 0.00 C ATOM 751 C TYR A 47 -9.190 6.529 -14.051 1.00 0.00 C ATOM 752 O TYR A 47 -9.273 7.248 -13.051 1.00 0.00 O ATOM 753 CB TYR A 47 -8.853 4.081 -13.616 1.00 0.00 C ATOM 754 CG TYR A 47 -9.622 4.198 -12.309 1.00 0.00 C ATOM 755 CD1 TYR A 47 -8.943 4.087 -11.080 1.00 0.00 C ATOM 756 CD2 TYR A 47 -10.996 4.515 -12.328 1.00 0.00 C ATOM 757 CE1 TYR A 47 -9.623 4.323 -9.872 1.00 0.00 C ATOM 758 CE2 TYR A 47 -11.680 4.760 -11.126 1.00 0.00 C ATOM 759 CZ TYR A 47 -10.993 4.671 -9.895 1.00 0.00 C ATOM 760 OH TYR A 47 -11.664 4.913 -8.737 1.00 0.00 O ATOM 0 H TYR A 47 -7.394 6.375 -12.404 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.779 5.244 -15.065 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.536 3.753 -14.400 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.093 3.307 -13.511 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.897 3.820 -11.065 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.523 4.569 -13.269 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -9.101 4.239 -8.930 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.729 5.016 -11.143 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.044 5.272 -8.069 1.00 0.00 H new ATOM 770 N CYS A 48 -9.951 6.681 -15.144 1.00 0.00 N ATOM 771 CA CYS A 48 -11.001 7.685 -15.336 1.00 0.00 C ATOM 772 C CYS A 48 -11.998 7.186 -16.384 1.00 0.00 C ATOM 773 O CYS A 48 -11.873 6.073 -16.901 1.00 0.00 O ATOM 774 CB CYS A 48 -10.416 9.011 -15.870 1.00 0.00 C ATOM 775 SG CYS A 48 -9.166 9.658 -14.755 1.00 0.00 S ATOM 0 H CYS A 48 -9.844 6.075 -15.958 1.00 0.00 H new ATOM 0 HA CYS A 48 -11.478 7.849 -14.370 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -9.980 8.849 -16.856 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -11.215 9.743 -15.990 1.00 0.00 H new ATOM 0 HG CYS A 48 -8.989 8.826 -13.772 1.00 0.00 H new ATOM 781 N ASN A 49 -12.950 8.043 -16.762 1.00 0.00 N ATOM 782 CA ASN A 49 -13.781 7.824 -17.938 1.00 0.00 C ATOM 783 C ASN A 49 -12.860 7.811 -19.162 1.00 0.00 C ATOM 784 O ASN A 49 -12.026 8.712 -19.307 1.00 0.00 O ATOM 785 CB ASN A 49 -14.819 8.946 -18.071 1.00 0.00 C ATOM 786 CG ASN A 49 -15.676 8.716 -19.312 1.00 0.00 C ATOM 787 OD1 ASN A 49 -15.554 9.419 -20.309 1.00 0.00 O ATOM 788 ND2 ASN A 49 -16.530 7.703 -19.290 1.00 0.00 N ATOM 0 H ASN A 49 -13.162 8.905 -16.260 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.317 6.879 -17.853 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.450 8.976 -17.183 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.317 9.911 -18.139 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -17.099 7.498 -20.111 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -16.618 7.129 -18.452 1.00 0.00 H new ATOM 795 N ALA A 50 -12.971 6.775 -20.001 1.00 0.00 N ATOM 796 CA ALA A 50 -12.069 6.478 -21.119 1.00 0.00 C ATOM 797 C ALA A 50 -10.568 6.516 -20.752 1.00 0.00 C ATOM 798 O ALA A 50 -9.723 6.643 -21.639 1.00 0.00 O ATOM 799 CB ALA A 50 -12.416 7.393 -22.305 1.00 0.00 C ATOM 0 H ALA A 50 -13.724 6.092 -19.916 1.00 0.00 H new ATOM 0 HA ALA A 50 -12.234 5.440 -21.407 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -11.748 7.177 -23.139 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -13.447 7.217 -22.611 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.298 8.435 -22.007 1.00 0.00 H new ATOM 805 N GLY A 51 -10.224 6.435 -19.460 1.00 0.00 N ATOM 806 CA GLY A 51 -8.866 6.579 -18.947 1.00 0.00 C ATOM 807 C GLY A 51 -8.183 7.915 -19.279 1.00 0.00 C ATOM 808 O GLY A 51 -6.972 8.013 -19.081 1.00 0.00 O ATOM 0 H GLY A 51 -10.909 6.262 -18.724 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.889 6.459 -17.864 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.256 5.768 -19.345 1.00 0.00 H new ATOM 812 N ARG A 52 -8.888 8.944 -19.779 1.00 0.00 N ATOM 813 CA ARG A 52 -8.224 10.144 -20.308 1.00 0.00 C ATOM 814 C ARG A 52 -7.526 10.959 -19.247 1.00 0.00 C ATOM 815 O ARG A 52 -6.325 11.165 -19.373 1.00 0.00 O ATOM 816 CB ARG A 52 -9.177 11.025 -21.128 1.00 0.00 C ATOM 817 CG ARG A 52 -9.225 10.609 -22.609 1.00 0.00 C ATOM 818 CD ARG A 52 -9.855 11.702 -23.484 1.00 0.00 C ATOM 819 NE ARG A 52 -9.072 12.951 -23.431 1.00 0.00 N ATOM 820 CZ ARG A 52 -9.284 14.065 -24.136 1.00 0.00 C ATOM 821 NH1 ARG A 52 -10.249 14.129 -25.050 1.00 0.00 N ATOM 822 NH2 ARG A 52 -8.504 15.111 -23.896 1.00 0.00 N ATOM 0 H ARG A 52 -9.907 8.968 -19.827 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.451 9.767 -20.978 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.179 10.966 -20.703 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.860 12.065 -21.055 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.215 10.398 -22.961 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -9.797 9.687 -22.710 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.918 11.354 -24.515 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.874 11.895 -23.150 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.282 12.965 -22.785 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.843 13.318 -25.222 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.395 14.989 -25.578 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.770 15.048 -23.191 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.639 15.978 -24.417 1.00 0.00 H new ATOM 836 N GLN A 53 -8.231 11.425 -18.217 1.00 0.00 N ATOM 837 CA GLN A 53 -7.616 12.316 -17.231 1.00 0.00 C ATOM 838 C GLN A 53 -6.448 11.594 -16.536 1.00 0.00 C ATOM 839 O GLN A 53 -5.454 12.222 -16.179 1.00 0.00 O ATOM 840 CB GLN A 53 -8.632 12.871 -16.211 1.00 0.00 C ATOM 841 CG GLN A 53 -9.785 13.733 -16.747 1.00 0.00 C ATOM 842 CD GLN A 53 -10.910 12.884 -17.335 1.00 0.00 C ATOM 843 OE1 GLN A 53 -11.767 12.378 -16.621 1.00 0.00 O ATOM 844 NE2 GLN A 53 -10.910 12.664 -18.639 1.00 0.00 N ATOM 0 H GLN A 53 -9.212 11.206 -18.044 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.229 13.185 -17.763 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.066 12.026 -15.676 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.083 13.463 -15.479 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.181 14.351 -15.941 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.405 14.411 -17.511 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.193 13.089 -19.228 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.627 12.070 -19.056 1.00 0.00 H new ATOM 853 N SER A 54 -6.536 10.268 -16.406 1.00 0.00 N ATOM 854 CA SER A 54 -5.509 9.431 -15.799 1.00 0.00 C ATOM 855 C SER A 54 -4.301 9.243 -16.716 1.00 0.00 C ATOM 856 O SER A 54 -3.173 9.353 -16.244 1.00 0.00 O ATOM 857 CB SER A 54 -6.115 8.086 -15.381 1.00 0.00 C ATOM 858 OG SER A 54 -7.176 7.672 -16.228 1.00 0.00 O ATOM 0 H SER A 54 -7.345 9.738 -16.729 1.00 0.00 H new ATOM 0 HA SER A 54 -5.139 9.940 -14.909 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.335 7.325 -15.385 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.482 8.161 -14.357 1.00 0.00 H new ATOM 0 HG SER A 54 -8.008 8.108 -15.948 1.00 0.00 H new ATOM 864 N GLY A 55 -4.499 9.004 -18.015 1.00 0.00 N ATOM 865 CA GLY A 55 -3.401 8.888 -18.970 1.00 0.00 C ATOM 866 C GLY A 55 -2.722 10.242 -19.160 1.00 0.00 C ATOM 867 O GLY A 55 -1.495 10.335 -19.167 1.00 0.00 O ATOM 0 H GLY A 55 -5.423 8.886 -18.430 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.676 8.156 -18.614 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.778 8.525 -19.926 1.00 0.00 H new ATOM 871 N GLN A 56 -3.522 11.307 -19.225 1.00 0.00 N ATOM 872 CA GLN A 56 -3.055 12.682 -19.263 1.00 0.00 C ATOM 873 C GLN A 56 -2.201 12.987 -18.023 1.00 0.00 C ATOM 874 O GLN A 56 -1.131 13.581 -18.155 1.00 0.00 O ATOM 875 CB GLN A 56 -4.266 13.621 -19.417 1.00 0.00 C ATOM 876 CG GLN A 56 -4.729 13.658 -20.889 1.00 0.00 C ATOM 877 CD GLN A 56 -5.989 14.495 -21.123 1.00 0.00 C ATOM 878 OE1 GLN A 56 -6.998 14.010 -21.636 1.00 0.00 O ATOM 879 NE2 GLN A 56 -5.964 15.777 -20.797 1.00 0.00 N ATOM 0 H GLN A 56 -4.539 11.229 -19.253 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.407 12.844 -20.124 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.082 13.281 -18.780 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.001 14.625 -19.086 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.921 14.056 -21.504 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.914 12.638 -21.227 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.128 16.179 -20.372 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.780 16.363 -20.971 1.00 0.00 H new ATOM 888 N ALA A 57 -2.610 12.532 -16.832 1.00 0.00 N ATOM 889 CA ALA A 57 -1.783 12.661 -15.639 1.00 0.00 C ATOM 890 C ALA A 57 -0.541 11.770 -15.707 1.00 0.00 C ATOM 891 O ALA A 57 0.527 12.218 -15.310 1.00 0.00 O ATOM 892 CB ALA A 57 -2.590 12.363 -14.378 1.00 0.00 C ATOM 0 H ALA A 57 -3.507 12.073 -16.675 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.443 13.696 -15.595 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.949 12.467 -13.503 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.421 13.064 -14.304 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.977 11.345 -14.426 1.00 0.00 H new ATOM 898 N LYS A 58 -0.623 10.538 -16.218 1.00 0.00 N ATOM 899 CA LYS A 58 0.552 9.671 -16.330 1.00 0.00 C ATOM 900 C LYS A 58 1.665 10.386 -17.097 1.00 0.00 C ATOM 901 O LYS A 58 2.822 10.278 -16.692 1.00 0.00 O ATOM 902 CB LYS A 58 0.175 8.318 -16.959 1.00 0.00 C ATOM 903 CG LYS A 58 1.370 7.351 -17.004 1.00 0.00 C ATOM 904 CD LYS A 58 0.977 5.997 -17.613 1.00 0.00 C ATOM 905 CE LYS A 58 2.169 5.028 -17.696 1.00 0.00 C ATOM 906 NZ LYS A 58 3.224 5.474 -18.643 1.00 0.00 N ATOM 0 H LYS A 58 -1.489 10.120 -16.560 1.00 0.00 H new ATOM 0 HA LYS A 58 0.934 9.455 -15.332 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.636 7.866 -16.388 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.199 8.480 -17.970 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.176 7.794 -17.589 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.755 7.199 -15.995 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.186 5.547 -17.013 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.569 6.155 -18.611 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.606 4.914 -16.704 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.809 4.045 -18.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.957 4.740 -18.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.803 5.638 -19.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.652 6.356 -18.296 1.00 0.00 H new ATOM 920 N GLU A 59 1.335 11.147 -18.144 1.00 0.00 N ATOM 921 CA GLU A 59 2.323 11.929 -18.878 1.00 0.00 C ATOM 922 C GLU A 59 2.995 12.958 -17.959 1.00 0.00 C ATOM 923 O GLU A 59 4.217 12.898 -17.795 1.00 0.00 O ATOM 924 CB GLU A 59 1.699 12.601 -20.112 1.00 0.00 C ATOM 925 CG GLU A 59 1.290 11.584 -21.187 1.00 0.00 C ATOM 926 CD GLU A 59 0.733 12.281 -22.442 1.00 0.00 C ATOM 927 OE1 GLU A 59 -0.485 12.559 -22.508 1.00 0.00 O ATOM 928 OE2 GLU A 59 1.510 12.540 -23.391 1.00 0.00 O ATOM 0 H GLU A 59 0.384 11.236 -18.501 1.00 0.00 H new ATOM 0 HA GLU A 59 3.094 11.247 -19.236 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.824 13.175 -19.807 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.411 13.308 -20.537 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.152 10.975 -21.460 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.538 10.907 -20.782 1.00 0.00 H new ATOM 935 N ILE A 60 2.243 13.877 -17.329 1.00 0.00 N ATOM 936 CA ILE A 60 2.858 14.943 -16.544 1.00 0.00 C ATOM 937 C ILE A 60 3.609 14.362 -15.340 1.00 0.00 C ATOM 938 O ILE A 60 4.684 14.847 -14.997 1.00 0.00 O ATOM 939 CB ILE A 60 1.825 16.024 -16.139 1.00 0.00 C ATOM 940 CG1 ILE A 60 0.954 15.593 -14.938 1.00 0.00 C ATOM 941 CG2 ILE A 60 0.999 16.481 -17.358 1.00 0.00 C ATOM 942 CD1 ILE A 60 -0.251 16.469 -14.614 1.00 0.00 C ATOM 0 H ILE A 60 1.223 13.898 -17.351 1.00 0.00 H new ATOM 0 HA ILE A 60 3.594 15.449 -17.170 1.00 0.00 H new ATOM 0 HB ILE A 60 2.379 16.895 -15.787 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.598 14.580 -15.123 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.591 15.551 -14.054 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.281 17.240 -17.047 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.665 16.899 -18.113 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.466 15.627 -17.777 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.778 16.059 -13.752 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.085 17.481 -14.386 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.923 16.495 -15.472 1.00 0.00 H new ATOM 954 N LEU A 61 3.077 13.307 -14.715 1.00 0.00 N ATOM 955 CA LEU A 61 3.665 12.717 -13.525 1.00 0.00 C ATOM 956 C LEU A 61 4.970 12.008 -13.877 1.00 0.00 C ATOM 957 O LEU A 61 5.929 12.118 -13.113 1.00 0.00 O ATOM 958 CB LEU A 61 2.675 11.760 -12.835 1.00 0.00 C ATOM 959 CG LEU A 61 1.429 12.423 -12.207 1.00 0.00 C ATOM 960 CD1 LEU A 61 0.670 11.393 -11.362 1.00 0.00 C ATOM 961 CD2 LEU A 61 1.774 13.649 -11.360 1.00 0.00 C ATOM 0 H LEU A 61 2.224 12.842 -15.027 1.00 0.00 H new ATOM 0 HA LEU A 61 3.891 13.515 -12.818 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.342 11.023 -13.565 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.207 11.217 -12.054 1.00 0.00 H new ATOM 0 HG LEU A 61 0.800 12.774 -13.025 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.209 11.862 -10.919 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.358 10.562 -11.995 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.321 11.022 -10.570 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.860 14.073 -10.944 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.439 13.355 -10.548 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.269 14.394 -11.983 1.00 0.00 H new ATOM 973 N SER A 62 5.049 11.346 -15.036 1.00 0.00 N ATOM 974 CA SER A 62 6.296 10.751 -15.502 1.00 0.00 C ATOM 975 C SER A 62 7.354 11.838 -15.728 1.00 0.00 C ATOM 976 O SER A 62 8.510 11.641 -15.352 1.00 0.00 O ATOM 977 CB SER A 62 6.064 9.940 -16.783 1.00 0.00 C ATOM 978 OG SER A 62 5.099 8.924 -16.580 1.00 0.00 O ATOM 0 H SER A 62 4.259 11.211 -15.667 1.00 0.00 H new ATOM 0 HA SER A 62 6.663 10.070 -14.734 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.734 10.604 -17.582 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.003 9.493 -17.108 1.00 0.00 H new ATOM 0 HG SER A 62 4.221 9.242 -16.879 1.00 0.00 H new ATOM 984 N GLU A 63 6.973 12.996 -16.283 1.00 0.00 N ATOM 985 CA GLU A 63 7.897 14.112 -16.485 1.00 0.00 C ATOM 986 C GLU A 63 8.331 14.723 -15.144 1.00 0.00 C ATOM 987 O GLU A 63 9.500 15.082 -14.988 1.00 0.00 O ATOM 988 CB GLU A 63 7.273 15.184 -17.393 1.00 0.00 C ATOM 989 CG GLU A 63 7.156 14.715 -18.850 1.00 0.00 C ATOM 990 CD GLU A 63 6.667 15.849 -19.769 1.00 0.00 C ATOM 991 OE1 GLU A 63 5.440 16.065 -19.892 1.00 0.00 O ATOM 992 OE2 GLU A 63 7.510 16.532 -20.397 1.00 0.00 O ATOM 0 H GLU A 63 6.022 13.182 -16.601 1.00 0.00 H new ATOM 0 HA GLU A 63 8.786 13.721 -16.980 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.284 15.445 -17.017 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.879 16.089 -17.352 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.125 14.356 -19.197 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.465 13.874 -18.908 1.00 0.00 H new ATOM 999 N MET A 64 7.424 14.811 -14.162 1.00 0.00 N ATOM 1000 CA MET A 64 7.742 15.267 -12.808 1.00 0.00 C ATOM 1001 C MET A 64 8.712 14.298 -12.116 1.00 0.00 C ATOM 1002 O MET A 64 9.542 14.739 -11.318 1.00 0.00 O ATOM 1003 CB MET A 64 6.459 15.439 -11.977 1.00 0.00 C ATOM 1004 CG MET A 64 5.642 16.659 -12.425 1.00 0.00 C ATOM 1005 SD MET A 64 3.976 16.782 -11.712 1.00 0.00 S ATOM 1006 CE MET A 64 4.378 17.120 -9.975 1.00 0.00 C ATOM 0 H MET A 64 6.442 14.565 -14.289 1.00 0.00 H new ATOM 0 HA MET A 64 8.232 16.237 -12.885 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.847 14.541 -12.065 1.00 0.00 H new ATOM 0 HB3 MET A 64 6.721 15.545 -10.924 1.00 0.00 H new ATOM 0 HG2 MET A 64 6.197 17.561 -12.168 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.554 16.638 -13.511 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.457 17.258 -9.409 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.937 16.281 -9.561 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.982 18.025 -9.911 1.00 0.00 H new ATOM 1016 N GLY A 65 8.641 13.001 -12.435 1.00 0.00 N ATOM 1017 CA GLY A 65 9.620 11.995 -12.035 1.00 0.00 C ATOM 1018 C GLY A 65 8.994 10.668 -11.613 1.00 0.00 C ATOM 1019 O GLY A 65 9.723 9.700 -11.411 1.00 0.00 O ATOM 0 H GLY A 65 7.879 12.616 -12.993 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.305 11.817 -12.864 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.214 12.386 -11.209 1.00 0.00 H new ATOM 1023 N TYR A 66 7.670 10.595 -11.458 1.00 0.00 N ATOM 1024 CA TYR A 66 6.953 9.406 -11.012 1.00 0.00 C ATOM 1025 C TYR A 66 6.839 8.402 -12.163 1.00 0.00 C ATOM 1026 O TYR A 66 5.766 8.193 -12.727 1.00 0.00 O ATOM 1027 CB TYR A 66 5.576 9.783 -10.447 1.00 0.00 C ATOM 1028 CG TYR A 66 5.602 10.580 -9.158 1.00 0.00 C ATOM 1029 CD1 TYR A 66 5.747 11.981 -9.180 1.00 0.00 C ATOM 1030 CD2 TYR A 66 5.467 9.906 -7.930 1.00 0.00 C ATOM 1031 CE1 TYR A 66 5.778 12.706 -7.974 1.00 0.00 C ATOM 1032 CE2 TYR A 66 5.498 10.625 -6.725 1.00 0.00 C ATOM 1033 CZ TYR A 66 5.650 12.028 -6.739 1.00 0.00 C ATOM 1034 OH TYR A 66 5.660 12.725 -5.573 1.00 0.00 O ATOM 0 H TYR A 66 7.053 11.385 -11.645 1.00 0.00 H new ATOM 0 HA TYR A 66 7.514 8.932 -10.206 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.037 10.358 -11.200 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.008 8.868 -10.278 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.834 12.499 -10.123 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.339 8.834 -7.915 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.899 13.779 -7.991 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.405 10.103 -5.784 1.00 0.00 H new ATOM 0 HH TYR A 66 5.182 12.217 -4.884 1.00 0.00 H new ATOM 1044 N THR A 67 7.943 7.752 -12.517 1.00 0.00 N ATOM 1045 CA THR A 67 8.025 6.728 -13.558 1.00 0.00 C ATOM 1046 C THR A 67 7.329 5.402 -13.156 1.00 0.00 C ATOM 1047 O THR A 67 7.606 4.354 -13.742 1.00 0.00 O ATOM 1048 CB THR A 67 9.517 6.561 -13.916 1.00 0.00 C ATOM 1049 OG1 THR A 67 10.291 6.309 -12.756 1.00 0.00 O ATOM 1050 CG2 THR A 67 10.090 7.842 -14.537 1.00 0.00 C ATOM 0 H THR A 67 8.842 7.930 -12.070 1.00 0.00 H new ATOM 0 HA THR A 67 7.472 7.043 -14.443 1.00 0.00 H new ATOM 0 HB THR A 67 9.568 5.729 -14.618 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.981 5.644 -12.961 1.00 0.00 H new ATOM 0 HG21 THR A 67 11.142 7.691 -14.777 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.541 8.082 -15.447 1.00 0.00 H new ATOM 0 HG23 THR A 67 9.994 8.664 -13.828 1.00 0.00 H new ATOM 1058 N HIS A 68 6.448 5.427 -12.143 1.00 0.00 N ATOM 1059 CA HIS A 68 5.836 4.263 -11.496 1.00 0.00 C ATOM 1060 C HIS A 68 4.316 4.446 -11.362 1.00 0.00 C ATOM 1061 O HIS A 68 3.670 3.868 -10.484 1.00 0.00 O ATOM 1062 CB HIS A 68 6.515 4.004 -10.135 1.00 0.00 C ATOM 1063 CG HIS A 68 8.019 3.848 -10.190 1.00 0.00 C ATOM 1064 ND1 HIS A 68 8.734 2.676 -10.087 1.00 0.00 N ATOM 1065 CD2 HIS A 68 8.933 4.861 -10.305 1.00 0.00 C ATOM 1066 CE1 HIS A 68 10.043 2.980 -10.140 1.00 0.00 C ATOM 1067 NE2 HIS A 68 10.220 4.308 -10.277 1.00 0.00 N ATOM 0 H HIS A 68 6.129 6.306 -11.735 1.00 0.00 H new ATOM 0 HA HIS A 68 5.991 3.383 -12.120 1.00 0.00 H new ATOM 0 HB2 HIS A 68 6.275 4.828 -9.463 1.00 0.00 H new ATOM 0 HB3 HIS A 68 6.087 3.102 -9.698 1.00 0.00 H new ATOM 0 HD1 HIS A 68 8.340 1.741 -9.988 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.701 5.911 -10.401 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.843 2.257 -10.081 1.00 0.00 H new ATOM 1075 N VAL A 69 3.754 5.275 -12.239 1.00 0.00 N ATOM 1076 CA VAL A 69 2.319 5.442 -12.430 1.00 0.00 C ATOM 1077 C VAL A 69 1.922 4.463 -13.541 1.00 0.00 C ATOM 1078 O VAL A 69 2.657 4.317 -14.521 1.00 0.00 O ATOM 1079 CB VAL A 69 2.009 6.910 -12.808 1.00 0.00 C ATOM 1080 CG1 VAL A 69 0.510 7.148 -13.047 1.00 0.00 C ATOM 1081 CG2 VAL A 69 2.468 7.897 -11.723 1.00 0.00 C ATOM 0 H VAL A 69 4.307 5.869 -12.857 1.00 0.00 H new ATOM 0 HA VAL A 69 1.751 5.231 -11.524 1.00 0.00 H new ATOM 0 HB VAL A 69 2.562 7.086 -13.731 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.345 8.193 -13.309 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.166 6.511 -13.861 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.045 6.909 -12.140 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.230 8.915 -12.032 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.956 7.673 -10.787 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.544 7.804 -11.579 1.00 0.00 H new ATOM 1091 N GLU A 70 0.759 3.823 -13.424 1.00 0.00 N ATOM 1092 CA GLU A 70 0.215 2.923 -14.434 1.00 0.00 C ATOM 1093 C GLU A 70 -1.259 3.266 -14.627 1.00 0.00 C ATOM 1094 O GLU A 70 -1.994 3.423 -13.649 1.00 0.00 O ATOM 1095 CB GLU A 70 0.365 1.458 -13.987 1.00 0.00 C ATOM 1096 CG GLU A 70 1.826 0.994 -13.914 1.00 0.00 C ATOM 1097 CD GLU A 70 1.922 -0.513 -13.618 1.00 0.00 C ATOM 1098 OE1 GLU A 70 1.850 -0.917 -12.436 1.00 0.00 O ATOM 1099 OE2 GLU A 70 2.087 -1.312 -14.569 1.00 0.00 O ATOM 0 H GLU A 70 0.158 3.920 -12.606 1.00 0.00 H new ATOM 0 HA GLU A 70 0.758 3.043 -15.372 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.098 1.335 -13.008 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.179 0.816 -14.680 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.327 1.214 -14.857 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.349 1.553 -13.138 1.00 0.00 H new ATOM 1106 N ASN A 71 -1.713 3.379 -15.879 1.00 0.00 N ATOM 1107 CA ASN A 71 -3.142 3.483 -16.146 1.00 0.00 C ATOM 1108 C ASN A 71 -3.747 2.089 -15.989 1.00 0.00 C ATOM 1109 O ASN A 71 -3.472 1.205 -16.802 1.00 0.00 O ATOM 1110 CB ASN A 71 -3.443 4.073 -17.531 1.00 0.00 C ATOM 1111 CG ASN A 71 -4.932 3.958 -17.869 1.00 0.00 C ATOM 1112 OD1 ASN A 71 -5.297 3.485 -18.939 1.00 0.00 O ATOM 1113 ND2 ASN A 71 -5.824 4.351 -16.970 1.00 0.00 N ATOM 0 H ASN A 71 -1.119 3.400 -16.708 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.591 4.176 -15.434 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.141 5.120 -17.557 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.854 3.553 -18.287 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.821 4.260 -17.167 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.513 4.744 -16.081 1.00 0.00 H new ATOM 1120 N ALA A 72 -4.540 1.887 -14.934 1.00 0.00 N ATOM 1121 CA ALA A 72 -5.152 0.597 -14.635 1.00 0.00 C ATOM 1122 C ALA A 72 -6.199 0.210 -15.689 1.00 0.00 C ATOM 1123 O ALA A 72 -6.400 -0.979 -15.941 1.00 0.00 O ATOM 1124 CB ALA A 72 -5.790 0.645 -13.244 1.00 0.00 C ATOM 0 H ALA A 72 -4.774 2.618 -14.263 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.372 -0.165 -14.655 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.247 -0.319 -13.020 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.024 0.865 -12.500 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.553 1.423 -13.220 1.00 0.00 H new ATOM 1130 N GLY A 73 -6.866 1.196 -16.294 1.00 0.00 N ATOM 1131 CA GLY A 73 -7.931 0.996 -17.266 1.00 0.00 C ATOM 1132 C GLY A 73 -8.856 2.205 -17.267 1.00 0.00 C ATOM 1133 O GLY A 73 -8.444 3.308 -16.893 1.00 0.00 O ATOM 0 H GLY A 73 -6.671 2.181 -16.113 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.507 0.849 -18.259 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.494 0.095 -17.023 1.00 0.00 H new ATOM 1137 N GLY A 74 -10.110 1.989 -17.659 1.00 0.00 N ATOM 1138 CA GLY A 74 -11.175 2.975 -17.552 1.00 0.00 C ATOM 1139 C GLY A 74 -12.264 2.460 -16.618 1.00 0.00 C ATOM 1140 O GLY A 74 -12.311 1.265 -16.315 1.00 0.00 O ATOM 0 H GLY A 74 -10.417 1.106 -18.067 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.775 3.916 -17.175 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.595 3.179 -18.537 1.00 0.00 H new ATOM 1144 N LEU A 75 -13.143 3.363 -16.177 1.00 0.00 N ATOM 1145 CA LEU A 75 -14.130 3.135 -15.114 1.00 0.00 C ATOM 1146 C LEU A 75 -14.892 1.812 -15.256 1.00 0.00 C ATOM 1147 O LEU A 75 -14.998 1.057 -14.289 1.00 0.00 O ATOM 1148 CB LEU A 75 -15.113 4.323 -15.095 1.00 0.00 C ATOM 1149 CG LEU A 75 -16.190 4.248 -13.990 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -15.578 4.421 -12.593 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -17.236 5.333 -14.261 1.00 0.00 C ATOM 0 H LEU A 75 -13.190 4.306 -16.562 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.588 3.061 -14.171 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.546 5.245 -14.969 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.609 4.383 -16.064 1.00 0.00 H new ATOM 0 HG LEU A 75 -16.657 3.263 -14.010 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -16.365 4.363 -11.841 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.847 3.632 -12.416 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -15.086 5.392 -12.529 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -18.006 5.296 -13.491 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -16.757 6.312 -14.249 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -17.691 5.164 -15.237 1.00 0.00 H new ATOM 1163 N LYS A 76 -15.436 1.536 -16.446 1.00 0.00 N ATOM 1164 CA LYS A 76 -16.259 0.347 -16.684 1.00 0.00 C ATOM 1165 C LYS A 76 -15.425 -0.840 -17.167 1.00 0.00 C ATOM 1166 O LYS A 76 -15.883 -1.977 -17.065 1.00 0.00 O ATOM 1167 CB LYS A 76 -17.365 0.668 -17.707 1.00 0.00 C ATOM 1168 CG LYS A 76 -18.367 1.751 -17.263 1.00 0.00 C ATOM 1169 CD LYS A 76 -19.142 1.380 -15.989 1.00 0.00 C ATOM 1170 CE LYS A 76 -20.301 2.363 -15.773 1.00 0.00 C ATOM 1171 NZ LYS A 76 -21.109 2.028 -14.576 1.00 0.00 N ATOM 0 H LYS A 76 -15.318 2.128 -17.268 1.00 0.00 H new ATOM 0 HA LYS A 76 -16.711 0.064 -15.733 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.897 0.987 -18.638 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -17.915 -0.248 -17.924 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -17.830 2.685 -17.094 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -19.076 1.933 -18.071 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -19.527 0.364 -16.071 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -18.473 1.399 -15.128 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -19.903 3.373 -15.669 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -20.943 2.363 -16.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -21.936 2.656 -14.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -21.427 1.040 -14.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -20.531 2.153 -13.721 1.00 0.00 H new ATOM 1185 N ASP A 77 -14.223 -0.599 -17.699 1.00 0.00 N ATOM 1186 CA ASP A 77 -13.330 -1.664 -18.158 1.00 0.00 C ATOM 1187 C ASP A 77 -12.738 -2.416 -16.964 1.00 0.00 C ATOM 1188 O ASP A 77 -12.601 -3.639 -17.008 1.00 0.00 O ATOM 1189 CB ASP A 77 -12.203 -1.079 -19.014 1.00 0.00 C ATOM 1190 CG ASP A 77 -11.204 -2.170 -19.431 1.00 0.00 C ATOM 1191 OD1 ASP A 77 -11.539 -3.003 -20.303 1.00 0.00 O ATOM 1192 OD2 ASP A 77 -10.066 -2.177 -18.911 1.00 0.00 O ATOM 0 H ASP A 77 -13.843 0.339 -17.823 1.00 0.00 H new ATOM 0 HA ASP A 77 -13.909 -2.362 -18.762 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -12.624 -0.608 -19.902 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -11.684 -0.300 -18.455 1.00 0.00 H new ATOM 1197 N ILE A 78 -12.421 -1.693 -15.886 1.00 0.00 N ATOM 1198 CA ILE A 78 -11.945 -2.261 -14.631 1.00 0.00 C ATOM 1199 C ILE A 78 -13.099 -3.072 -14.025 1.00 0.00 C ATOM 1200 O ILE A 78 -14.190 -2.539 -13.812 1.00 0.00 O ATOM 1201 CB ILE A 78 -11.432 -1.119 -13.719 1.00 0.00 C ATOM 1202 CG1 ILE A 78 -10.149 -0.508 -14.330 1.00 0.00 C ATOM 1203 CG2 ILE A 78 -11.156 -1.615 -12.288 1.00 0.00 C ATOM 1204 CD1 ILE A 78 -9.746 0.826 -13.698 1.00 0.00 C ATOM 0 H ILE A 78 -12.491 -0.676 -15.866 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.101 -2.937 -14.769 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.209 -0.357 -13.657 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.329 -1.217 -14.216 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.299 -0.363 -15.400 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.798 -0.786 -11.678 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.075 -2.012 -11.857 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.399 -2.399 -12.314 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.838 1.195 -14.175 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -10.549 1.551 -13.835 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.563 0.684 -12.633 1.00 0.00 H new ATOM 1216 N ALA A 79 -12.855 -4.355 -13.734 1.00 0.00 N ATOM 1217 CA ALA A 79 -13.869 -5.282 -13.229 1.00 0.00 C ATOM 1218 C ALA A 79 -14.098 -5.166 -11.711 1.00 0.00 C ATOM 1219 O ALA A 79 -15.031 -5.780 -11.190 1.00 0.00 O ATOM 1220 CB ALA A 79 -13.455 -6.714 -13.592 1.00 0.00 C ATOM 0 H ALA A 79 -11.935 -4.782 -13.845 1.00 0.00 H new ATOM 0 HA ALA A 79 -14.817 -5.020 -13.700 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.203 -7.414 -13.221 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.377 -6.807 -14.675 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.490 -6.940 -13.138 1.00 0.00 H new ATOM 1226 N MET A 80 -13.250 -4.418 -10.995 1.00 0.00 N ATOM 1227 CA MET A 80 -13.362 -4.209 -9.547 1.00 0.00 C ATOM 1228 C MET A 80 -14.696 -3.519 -9.200 1.00 0.00 C ATOM 1229 O MET A 80 -15.241 -2.803 -10.050 1.00 0.00 O ATOM 1230 CB MET A 80 -12.177 -3.364 -9.051 1.00 0.00 C ATOM 1231 CG MET A 80 -10.831 -4.090 -9.182 1.00 0.00 C ATOM 1232 SD MET A 80 -9.374 -3.070 -8.814 1.00 0.00 S ATOM 1233 CE MET A 80 -9.591 -2.762 -7.039 1.00 0.00 C ATOM 0 H MET A 80 -12.455 -3.934 -11.412 1.00 0.00 H new ATOM 0 HA MET A 80 -13.341 -5.178 -9.049 1.00 0.00 H new ATOM 0 HB2 MET A 80 -12.139 -2.433 -9.617 1.00 0.00 H new ATOM 0 HB3 MET A 80 -12.340 -3.096 -8.007 1.00 0.00 H new ATOM 0 HG2 MET A 80 -10.832 -4.951 -8.513 1.00 0.00 H new ATOM 0 HG3 MET A 80 -10.740 -4.475 -10.198 1.00 0.00 H new ATOM 0 HE1 MET A 80 -8.733 -2.207 -6.658 1.00 0.00 H new ATOM 0 HE2 MET A 80 -10.499 -2.181 -6.879 1.00 0.00 H new ATOM 0 HE3 MET A 80 -9.671 -3.713 -6.512 1.00 0.00 H new ATOM 1243 N PRO A 81 -15.225 -3.694 -7.974 1.00 0.00 N ATOM 1244 CA PRO A 81 -16.463 -3.051 -7.544 1.00 0.00 C ATOM 1245 C PRO A 81 -16.287 -1.538 -7.375 1.00 0.00 C ATOM 1246 O PRO A 81 -15.165 -1.030 -7.271 1.00 0.00 O ATOM 1247 CB PRO A 81 -16.843 -3.736 -6.225 1.00 0.00 C ATOM 1248 CG PRO A 81 -15.497 -4.178 -5.656 1.00 0.00 C ATOM 1249 CD PRO A 81 -14.701 -4.540 -6.908 1.00 0.00 C ATOM 0 HA PRO A 81 -17.251 -3.161 -8.289 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -17.359 -3.052 -5.551 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -17.508 -4.584 -6.389 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -15.017 -3.381 -5.088 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -15.602 -5.029 -4.984 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.636 -4.364 -6.758 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -14.818 -5.595 -7.154 1.00 0.00 H new ATOM 1257 N LYS A 82 -17.410 -0.816 -7.306 1.00 0.00 N ATOM 1258 CA LYS A 82 -17.442 0.640 -7.202 1.00 0.00 C ATOM 1259 C LYS A 82 -18.287 1.060 -6.004 1.00 0.00 C ATOM 1260 O LYS A 82 -19.170 0.316 -5.571 1.00 0.00 O ATOM 1261 CB LYS A 82 -17.995 1.294 -8.490 1.00 0.00 C ATOM 1262 CG LYS A 82 -17.091 1.188 -9.731 1.00 0.00 C ATOM 1263 CD LYS A 82 -17.325 -0.082 -10.557 1.00 0.00 C ATOM 1264 CE LYS A 82 -16.322 -0.151 -11.716 1.00 0.00 C ATOM 1265 NZ LYS A 82 -16.288 -1.499 -12.326 1.00 0.00 N ATOM 0 H LYS A 82 -18.338 -1.239 -7.321 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.417 0.984 -7.066 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -18.957 0.838 -8.723 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -18.183 2.349 -8.289 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -17.256 2.059 -10.365 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -16.049 1.218 -9.414 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -17.220 -0.962 -9.922 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -18.343 -0.089 -10.946 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.589 0.586 -12.474 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.328 0.111 -11.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.530 -1.539 -13.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -16.109 -2.210 -11.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -17.201 -1.697 -12.783 1.00 0.00 H new ATOM 1279 N VAL A 83 -18.044 2.273 -5.513 1.00 0.00 N ATOM 1280 CA VAL A 83 -18.815 2.949 -4.475 1.00 0.00 C ATOM 1281 C VAL A 83 -18.995 4.410 -4.909 1.00 0.00 C ATOM 1282 O VAL A 83 -18.231 4.915 -5.742 1.00 0.00 O ATOM 1283 CB VAL A 83 -18.137 2.795 -3.092 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -18.026 1.324 -2.660 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -16.739 3.428 -3.034 1.00 0.00 C ATOM 0 H VAL A 83 -17.264 2.839 -5.846 1.00 0.00 H new ATOM 0 HA VAL A 83 -19.800 2.497 -4.358 1.00 0.00 H new ATOM 0 HB VAL A 83 -18.790 3.329 -2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -17.544 1.267 -1.684 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -19.023 0.887 -2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -17.433 0.774 -3.391 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.317 3.287 -2.039 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -16.094 2.953 -3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.813 4.494 -3.249 1.00 0.00 H new ATOM 1295 N LYS A 84 -20.002 5.097 -4.368 1.00 0.00 N ATOM 1296 CA LYS A 84 -20.446 6.410 -4.846 1.00 0.00 C ATOM 1297 C LYS A 84 -20.109 7.492 -3.820 1.00 0.00 C ATOM 1298 O LYS A 84 -19.855 7.185 -2.651 1.00 0.00 O ATOM 1299 CB LYS A 84 -21.959 6.361 -5.137 1.00 0.00 C ATOM 1300 CG LYS A 84 -22.327 5.322 -6.216 1.00 0.00 C ATOM 1301 CD LYS A 84 -23.841 5.114 -6.383 1.00 0.00 C ATOM 1302 CE LYS A 84 -24.642 6.369 -6.767 1.00 0.00 C ATOM 1303 NZ LYS A 84 -24.439 6.773 -8.180 1.00 0.00 N ATOM 0 H LYS A 84 -20.541 4.753 -3.573 1.00 0.00 H new ATOM 0 HA LYS A 84 -19.923 6.661 -5.769 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -22.494 6.127 -4.217 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -22.295 7.347 -5.459 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -21.905 5.637 -7.170 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -21.864 4.368 -5.962 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -24.004 4.353 -7.146 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -24.241 4.720 -5.449 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -25.702 6.184 -6.596 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -24.353 7.192 -6.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -25.124 7.514 -8.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -23.473 7.139 -8.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -24.577 5.949 -8.800 1.00 0.00 H new ATOM 1317 N GLY A 85 -20.098 8.752 -4.264 1.00 0.00 N ATOM 1318 CA GLY A 85 -19.896 9.913 -3.408 1.00 0.00 C ATOM 1319 C GLY A 85 -20.941 9.934 -2.298 1.00 0.00 C ATOM 1320 O GLY A 85 -22.140 9.756 -2.600 1.00 0.00 O ATOM 1321 OXT GLY A 85 -20.564 10.140 -1.127 1.00 0.00 O ATOM 0 H GLY A 85 -20.232 8.993 -5.246 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -18.896 9.886 -2.976 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -19.964 10.826 -3.999 1.00 0.00 H new TER 1325 GLY A 85