USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 915 hydrogens (14 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 NoAdj-H: B 121 PTR HN2 : B 121 PTR N : B 120 ASP C :(H bumps) USER MOD NoAdj-H: B 121 PTR H : B 121 PTR N : B 120 ASP C :(H bumps) USER MOD Set 1.1: A 81 LYS NZ :NH3+ 149:sc= -1.62! (180deg=-3.05!) USER MOD Set 1.2: A 93 TYR OH : rot 61:sc= 1.94 USER MOD Set 1.3: A 97 ASN : amide:sc= -11.7! C(o=-11!,f=-19!) USER MOD Set 2.1: A 69 THR OG1 : rot -49:sc= -11.6! USER MOD Set 2.2: A 74 LYS NZ :NH3+ -119:sc= -1.16! (180deg=-3.79!) USER MOD Set 3.1: A 51 THR OG1 : rot 88:sc= -2.77! USER MOD Set 3.2: A 103 THR OG1 : rot 10:sc= 1.43 USER MOD Set 4.1: A 48 SER OG : rot 54:sc= -4.91! USER MOD Set 4.2: A 63 HIS :FLIP no HD1:sc= -29.9! C(o=-38!,f=-35!) USER MOD Set 5.1: A 44 THR OG1 : rot 56:sc= -4.09! USER MOD Set 5.2: A 65 HIS :FLIP no HD1:sc= -26! C(o=-34!,f=-30!) USER MOD Set 6.1: A 13 ASN : amide:sc= -7.56! C(o=-26!,f=-28!) USER MOD Set 6.2: A 35 MET CE :methyl 171:sc= -18.9! (180deg=-17.8!) USER MOD Set 7.1: A 4 ASN : amide:sc= -0.827! C(o=-13!,f=-19!) USER MOD Set 7.2: A 5 ASN :FLIP amide:sc= -12.5! C(o=-18!,f=-13!) USER MOD Set 7.3: A 45 TYR OH : rot -73:sc= 0.356 USER MOD Single : A 8 THR OG1 : rot 16:sc= 0.392! USER MOD Single : A 9 TYR OH : rot 180:sc= -0.49 USER MOD Single : A 12 TYR OH : rot -73:sc= -1.44! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.127 USER MOD Single : A 17 SER OG : rot -100:sc= 0.461 USER MOD Single : A 20 LYS NZ :NH3+ -176:sc= -3.31! (180deg=-3.53!) USER MOD Single : A 23 LYS NZ :NH3+ 175:sc= -0.603! (180deg=-0.638!) USER MOD Single : A 28 THR OG1 : rot 30:sc= -14! USER MOD Single : A 30 LYS NZ :NH3+ 161:sc= -0.954! (180deg=-2.33!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN :FLIP amide:sc= -1.94 F(o=-2.8!,f=-1.9) USER MOD Single : A 60 CYS SG : rot -4:sc= 0.682 USER MOD Single : A 62 LYS NZ :NH3+ 168:sc= -1.48 (180deg=-2.45!) USER MOD Single : A 64 TYR OH : rot -173:sc= -6.26! USER MOD Single : A 67 LYS NZ :NH3+ -145:sc= -4.6! (180deg=-8.44!) USER MOD Single : A 70 ASN :FLIP amide:sc= 0.103 F(o=-4.8!,f=0.1) USER MOD Single : A 72 SER OG : rot 55:sc= 0.499 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.0552 USER MOD Single : A 82 TYR OH : rot 136:sc= 0.516 USER MOD Single : A 86 SER OG : rot 10:sc= 1.18 USER MOD Single : A 92 GLN :FLIP amide:sc= 0 F(o=-0.85,f=0) USER MOD Single : A 94 HIS :FLIP no HE2:sc= -34.1! C(o=-36!,f=-34!) USER MOD Single : A 95 GLN : amide:sc= -36.3! C(o=-36!,f=-38!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot 49:sc= -3.97! USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 3 2.003 11.554 9.559 1.00 0.00 C HETATM 2 O ACE A 3 2.944 11.100 8.910 1.00 0.00 O HETATM 3 CH3 ACE A 3 2.008 11.502 11.067 1.00 0.00 C HETATM 0 H1 ACE A 3 1.952 12.515 11.466 1.00 0.00 H new HETATM 0 H2 ACE A 3 1.150 10.927 11.414 1.00 0.00 H new HETATM 0 H3 ACE A 3 2.926 11.027 11.412 1.00 0.00 H new ATOM 7 N ASN A 4 0.933 12.106 8.995 1.00 0.00 N ATOM 8 CA ASN A 4 0.803 12.216 7.546 1.00 0.00 C ATOM 9 C ASN A 4 -0.142 11.148 7.003 1.00 0.00 C ATOM 10 O ASN A 4 0.202 9.967 6.953 1.00 0.00 O ATOM 11 CB ASN A 4 2.173 12.091 6.876 1.00 0.00 C ATOM 12 CG ASN A 4 2.241 12.835 5.557 1.00 0.00 C ATOM 13 OD1 ASN A 4 2.657 12.282 4.539 1.00 0.00 O ATOM 14 ND2 ASN A 4 1.831 14.098 5.570 1.00 0.00 N ATOM 0 H ASN A 4 0.144 12.484 9.519 1.00 0.00 H new ATOM 0 HA ASN A 4 0.385 13.197 7.318 1.00 0.00 H new ATOM 0 HB2 ASN A 4 2.940 12.477 7.548 1.00 0.00 H new ATOM 0 HB3 ASN A 4 2.398 11.038 6.708 1.00 0.00 H new ATOM 0 HD21 ASN A 4 1.853 14.650 4.713 1.00 0.00 H new ATOM 0 HD22 ASN A 4 1.494 14.516 6.437 1.00 0.00 H new ATOM 21 N ASN A 5 -1.333 11.573 6.595 1.00 0.00 N ATOM 22 CA ASN A 5 -2.330 10.656 6.054 1.00 0.00 C ATOM 23 C ASN A 5 -2.041 9.219 6.483 1.00 0.00 C ATOM 24 O ASN A 5 -2.229 8.864 7.646 1.00 0.00 O ATOM 25 CB ASN A 5 -2.364 10.752 4.528 1.00 0.00 C ATOM 26 CG ASN A 5 -1.005 11.071 3.942 1.00 0.00 C ATOM 27 OD1 ASN A 5 0.022 10.387 4.430 1.00 0.00 O flip ATOM 28 ND2 ASN A 5 -0.878 11.923 3.061 1.00 0.00 N flip ATOM 0 H ASN A 5 -1.632 12.548 6.629 1.00 0.00 H new ATOM 0 HA ASN A 5 -3.304 10.942 6.450 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.723 9.809 4.115 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.075 11.522 4.230 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -1.696 12.425 2.715 1.00 0.00 H new ATOM 0 HD22 ASN A 5 0.045 12.126 2.677 1.00 0.00 H new ATOM 35 N LEU A 6 -1.587 8.398 5.538 1.00 0.00 N ATOM 36 CA LEU A 6 -1.281 6.996 5.822 1.00 0.00 C ATOM 37 C LEU A 6 -0.201 6.863 6.885 1.00 0.00 C ATOM 38 O LEU A 6 -0.345 6.112 7.851 1.00 0.00 O ATOM 39 CB LEU A 6 -0.810 6.260 4.565 1.00 0.00 C ATOM 40 CG LEU A 6 -1.013 6.970 3.224 1.00 0.00 C ATOM 41 CD1 LEU A 6 -2.487 7.199 2.950 1.00 0.00 C ATOM 42 CD2 LEU A 6 -0.240 8.278 3.183 1.00 0.00 C ATOM 0 H LEU A 6 -1.423 8.678 4.571 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.207 6.549 6.184 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.253 6.046 4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.326 5.301 4.521 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.623 6.325 2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.605 7.705 1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.005 6.240 2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.912 7.817 3.741 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.399 8.765 2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.588 8.932 3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.823 8.077 3.316 1.00 0.00 H new ATOM 54 N GLU A 7 0.887 7.584 6.686 1.00 0.00 N ATOM 55 CA GLU A 7 2.020 7.549 7.603 1.00 0.00 C ATOM 56 C GLU A 7 1.564 7.536 9.055 1.00 0.00 C ATOM 57 O GLU A 7 2.354 7.256 9.956 1.00 0.00 O ATOM 58 CB GLU A 7 2.938 8.748 7.356 1.00 0.00 C ATOM 59 CG GLU A 7 3.294 8.952 5.893 1.00 0.00 C ATOM 60 CD GLU A 7 4.775 9.196 5.684 1.00 0.00 C ATOM 61 OE1 GLU A 7 5.581 8.699 6.501 1.00 0.00 O ATOM 62 OE2 GLU A 7 5.133 9.883 4.704 1.00 0.00 O ATOM 0 H GLU A 7 1.014 8.209 5.890 1.00 0.00 H new ATOM 0 HA GLU A 7 2.570 6.627 7.414 1.00 0.00 H new ATOM 0 HB2 GLU A 7 2.454 9.649 7.732 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.856 8.616 7.929 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.990 8.074 5.323 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.731 9.798 5.500 1.00 0.00 H new ATOM 69 N THR A 8 0.293 7.839 9.285 1.00 0.00 N ATOM 70 CA THR A 8 -0.237 7.857 10.642 1.00 0.00 C ATOM 71 C THR A 8 -1.232 6.725 10.876 1.00 0.00 C ATOM 72 O THR A 8 -1.581 6.424 12.018 1.00 0.00 O ATOM 73 CB THR A 8 -0.896 9.204 10.943 1.00 0.00 C ATOM 74 OG1 THR A 8 -1.893 9.063 11.938 1.00 0.00 O ATOM 75 CG2 THR A 8 -1.544 9.835 9.730 1.00 0.00 C ATOM 0 H THR A 8 -0.384 8.073 8.558 1.00 0.00 H new ATOM 0 HA THR A 8 0.603 7.710 11.321 1.00 0.00 H new ATOM 0 HB THR A 8 -0.088 9.852 11.283 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.780 8.204 12.395 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.993 10.788 10.011 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.790 10.002 8.961 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.316 9.170 9.343 1.00 0.00 H new ATOM 83 N TYR A 9 -1.694 6.100 9.798 1.00 0.00 N ATOM 84 CA TYR A 9 -2.649 5.012 9.913 1.00 0.00 C ATOM 85 C TYR A 9 -1.955 3.682 10.172 1.00 0.00 C ATOM 86 O TYR A 9 -0.728 3.608 10.247 1.00 0.00 O ATOM 87 CB TYR A 9 -3.504 4.913 8.651 1.00 0.00 C ATOM 88 CG TYR A 9 -4.480 6.052 8.512 1.00 0.00 C ATOM 89 CD1 TYR A 9 -4.086 7.254 7.947 1.00 0.00 C ATOM 90 CD2 TYR A 9 -5.789 5.931 8.957 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.968 8.307 7.823 1.00 0.00 C ATOM 92 CE2 TYR A 9 -6.679 6.980 8.840 1.00 0.00 C ATOM 93 CZ TYR A 9 -6.265 8.168 8.272 1.00 0.00 C ATOM 94 OH TYR A 9 -7.148 9.218 8.154 1.00 0.00 O ATOM 0 H TYR A 9 -1.423 6.329 8.842 1.00 0.00 H new ATOM 0 HA TYR A 9 -3.291 5.232 10.766 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -2.852 4.891 7.778 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.052 3.971 8.663 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.071 7.368 7.598 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.116 5.003 9.401 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -4.645 9.236 7.377 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.694 6.872 9.191 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.019 8.955 8.517 1.00 0.00 H new ATOM 104 N GLU A 10 -2.758 2.636 10.313 1.00 0.00 N ATOM 105 CA GLU A 10 -2.246 1.297 10.573 1.00 0.00 C ATOM 106 C GLU A 10 -1.758 0.636 9.303 1.00 0.00 C ATOM 107 O GLU A 10 -1.811 -0.589 9.184 1.00 0.00 O ATOM 108 CB GLU A 10 -3.346 0.420 11.162 1.00 0.00 C ATOM 109 CG GLU A 10 -4.739 1.006 11.002 1.00 0.00 C ATOM 110 CD GLU A 10 -4.985 2.187 11.921 1.00 0.00 C ATOM 111 OE1 GLU A 10 -4.245 2.328 12.918 1.00 0.00 O ATOM 112 OE2 GLU A 10 -5.918 2.970 11.644 1.00 0.00 O ATOM 0 H GLU A 10 -3.775 2.690 10.251 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.416 1.400 11.272 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.315 -0.559 10.683 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.146 0.263 12.222 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.880 1.320 9.968 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.480 0.233 11.205 1.00 0.00 H new ATOM 119 N TRP A 11 -1.330 1.420 8.329 1.00 0.00 N ATOM 120 CA TRP A 11 -0.913 0.826 7.079 1.00 0.00 C ATOM 121 C TRP A 11 0.077 1.683 6.285 1.00 0.00 C ATOM 122 O TRP A 11 0.226 1.491 5.084 1.00 0.00 O ATOM 123 CB TRP A 11 -2.167 0.569 6.262 1.00 0.00 C ATOM 124 CG TRP A 11 -3.231 1.587 6.539 1.00 0.00 C ATOM 125 CD1 TRP A 11 -4.201 1.551 7.499 1.00 0.00 C ATOM 126 CD2 TRP A 11 -3.398 2.818 5.855 1.00 0.00 C ATOM 127 NE1 TRP A 11 -4.976 2.683 7.427 1.00 0.00 N ATOM 128 CE2 TRP A 11 -4.497 3.478 6.418 1.00 0.00 C ATOM 129 CE3 TRP A 11 -2.722 3.414 4.811 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -4.929 4.716 5.958 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -3.144 4.646 4.355 1.00 0.00 C ATOM 132 CH2 TRP A 11 -4.240 5.285 4.927 1.00 0.00 C ATOM 0 H TRP A 11 -1.264 2.437 8.378 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.375 -0.096 7.300 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.918 0.583 5.201 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -2.549 -0.427 6.487 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -4.339 0.750 8.210 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.775 2.896 8.025 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -1.874 2.923 4.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -5.781 5.211 6.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.616 5.122 3.542 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.550 6.248 4.548 1.00 0.00 H new ATOM 143 N TYR A 12 0.782 2.605 6.931 1.00 0.00 N ATOM 144 CA TYR A 12 1.757 3.401 6.200 1.00 0.00 C ATOM 145 C TYR A 12 3.165 3.169 6.719 1.00 0.00 C ATOM 146 O TYR A 12 3.396 3.093 7.925 1.00 0.00 O ATOM 147 CB TYR A 12 1.468 4.895 6.234 1.00 0.00 C ATOM 148 CG TYR A 12 2.466 5.656 5.384 1.00 0.00 C ATOM 149 CD1 TYR A 12 3.736 5.950 5.865 1.00 0.00 C ATOM 150 CD2 TYR A 12 2.155 6.043 4.086 1.00 0.00 C ATOM 151 CE1 TYR A 12 4.663 6.609 5.079 1.00 0.00 C ATOM 152 CE2 TYR A 12 3.070 6.704 3.300 1.00 0.00 C ATOM 153 CZ TYR A 12 4.324 6.985 3.798 1.00 0.00 C ATOM 154 OH TYR A 12 5.242 7.642 3.010 1.00 0.00 O ATOM 0 H TYR A 12 0.701 2.815 7.926 1.00 0.00 H new ATOM 0 HA TYR A 12 1.676 3.065 5.166 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.457 5.083 5.872 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.510 5.255 7.262 1.00 0.00 H new ATOM 0 HD1 TYR A 12 4.004 5.659 6.870 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.176 5.821 3.687 1.00 0.00 H new ATOM 0 HE1 TYR A 12 5.647 6.828 5.467 1.00 0.00 H new ATOM 0 HE2 TYR A 12 2.807 7.002 2.296 1.00 0.00 H new ATOM 0 HH TYR A 12 5.346 8.563 3.328 1.00 0.00 H new ATOM 164 N ASN A 13 4.101 3.073 5.791 1.00 0.00 N ATOM 165 CA ASN A 13 5.498 2.873 6.126 1.00 0.00 C ATOM 166 C ASN A 13 6.348 3.975 5.503 1.00 0.00 C ATOM 167 O ASN A 13 6.143 4.344 4.346 1.00 0.00 O ATOM 168 CB ASN A 13 5.957 1.499 5.646 1.00 0.00 C ATOM 169 CG ASN A 13 6.108 0.514 6.789 1.00 0.00 C ATOM 170 OD1 ASN A 13 7.210 0.283 7.286 1.00 0.00 O ATOM 171 ND2 ASN A 13 4.995 -0.074 7.211 1.00 0.00 N ATOM 0 H ASN A 13 3.915 3.131 4.790 1.00 0.00 H new ATOM 0 HA ASN A 13 5.617 2.918 7.209 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.238 1.109 4.925 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.909 1.597 5.125 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.033 -0.747 7.976 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.102 0.147 6.770 1.00 0.00 H new ATOM 178 N LYS A 14 7.290 4.508 6.272 1.00 0.00 N ATOM 179 CA LYS A 14 8.153 5.579 5.784 1.00 0.00 C ATOM 180 C LYS A 14 8.670 5.267 4.385 1.00 0.00 C ATOM 181 O LYS A 14 8.148 4.387 3.699 1.00 0.00 O ATOM 182 CB LYS A 14 9.329 5.790 6.739 1.00 0.00 C ATOM 183 CG LYS A 14 9.126 6.944 7.708 1.00 0.00 C ATOM 184 CD LYS A 14 10.316 7.890 7.704 1.00 0.00 C ATOM 185 CE LYS A 14 11.336 7.509 8.765 1.00 0.00 C ATOM 186 NZ LYS A 14 12.546 6.875 8.172 1.00 0.00 N ATOM 0 H LYS A 14 7.476 4.218 7.232 1.00 0.00 H new ATOM 0 HA LYS A 14 7.562 6.494 5.738 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.494 4.874 7.307 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.232 5.971 6.156 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.223 7.492 7.439 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.974 6.553 8.714 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.789 7.877 6.722 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.972 8.909 7.878 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.629 8.399 9.323 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.879 6.822 9.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.216 6.631 8.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.271 6.012 7.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.997 7.539 7.511 1.00 0.00 H new ATOM 200 N SER A 15 9.703 5.990 3.962 1.00 0.00 N ATOM 201 CA SER A 15 10.289 5.786 2.642 1.00 0.00 C ATOM 202 C SER A 15 10.753 4.343 2.471 1.00 0.00 C ATOM 203 O SER A 15 11.315 3.978 1.437 1.00 0.00 O ATOM 204 CB SER A 15 11.466 6.741 2.432 1.00 0.00 C ATOM 205 OG SER A 15 11.634 7.597 3.547 1.00 0.00 O ATOM 0 H SER A 15 10.151 6.722 4.514 1.00 0.00 H new ATOM 0 HA SER A 15 9.523 5.994 1.894 1.00 0.00 H new ATOM 0 HB2 SER A 15 12.379 6.168 2.269 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.299 7.337 1.534 1.00 0.00 H new ATOM 0 HG SER A 15 12.393 8.196 3.388 1.00 0.00 H new ATOM 211 N ILE A 16 10.515 3.528 3.491 1.00 0.00 N ATOM 212 CA ILE A 16 10.908 2.127 3.464 1.00 0.00 C ATOM 213 C ILE A 16 10.776 1.533 2.062 1.00 0.00 C ATOM 214 O ILE A 16 11.757 1.056 1.490 1.00 0.00 O ATOM 215 CB ILE A 16 10.066 1.300 4.457 1.00 0.00 C ATOM 216 CG1 ILE A 16 8.920 0.588 3.739 1.00 0.00 C ATOM 217 CG2 ILE A 16 9.527 2.195 5.563 1.00 0.00 C ATOM 218 CD1 ILE A 16 8.197 -0.415 4.610 1.00 0.00 C ATOM 0 H ILE A 16 10.049 3.816 4.351 1.00 0.00 H new ATOM 0 HA ILE A 16 11.956 2.083 3.760 1.00 0.00 H new ATOM 0 HB ILE A 16 10.709 0.541 4.903 1.00 0.00 H new ATOM 0 HG12 ILE A 16 8.206 1.331 3.384 1.00 0.00 H new ATOM 0 HG13 ILE A 16 9.313 0.078 2.860 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.934 1.599 6.257 1.00 0.00 H new ATOM 0 HG22 ILE A 16 10.359 2.654 6.097 1.00 0.00 H new ATOM 0 HG23 ILE A 16 8.901 2.974 5.128 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.396 -0.883 4.038 1.00 0.00 H new ATOM 0 HD12 ILE A 16 8.899 -1.179 4.944 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.774 0.094 5.477 1.00 0.00 H new ATOM 230 N SER A 17 9.562 1.560 1.516 1.00 0.00 N ATOM 231 CA SER A 17 9.302 1.023 0.188 1.00 0.00 C ATOM 232 C SER A 17 8.246 -0.071 0.256 1.00 0.00 C ATOM 233 O SER A 17 8.188 -0.831 1.222 1.00 0.00 O ATOM 234 CB SER A 17 10.588 0.470 -0.430 1.00 0.00 C ATOM 235 OG SER A 17 11.064 -0.650 0.299 1.00 0.00 O ATOM 0 H SER A 17 8.741 1.951 1.978 1.00 0.00 H new ATOM 0 HA SER A 17 8.932 1.832 -0.441 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.403 0.182 -1.465 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.351 1.248 -0.447 1.00 0.00 H new ATOM 0 HG SER A 17 11.794 -0.370 0.890 1.00 0.00 H new ATOM 241 N ARG A 18 7.411 -0.150 -0.773 1.00 0.00 N ATOM 242 CA ARG A 18 6.363 -1.155 -0.820 1.00 0.00 C ATOM 243 C ARG A 18 6.963 -2.550 -0.705 1.00 0.00 C ATOM 244 O ARG A 18 6.291 -3.497 -0.286 1.00 0.00 O ATOM 245 CB ARG A 18 5.566 -1.032 -2.119 1.00 0.00 C ATOM 246 CG ARG A 18 6.368 -1.386 -3.361 1.00 0.00 C ATOM 247 CD ARG A 18 7.387 -0.306 -3.690 1.00 0.00 C ATOM 248 NE ARG A 18 8.713 -0.627 -3.167 1.00 0.00 N ATOM 249 CZ ARG A 18 9.655 -1.240 -3.876 1.00 0.00 C ATOM 250 NH1 ARG A 18 9.417 -1.597 -5.130 1.00 0.00 N ATOM 251 NH2 ARG A 18 10.835 -1.496 -3.330 1.00 0.00 N ATOM 0 H ARG A 18 7.441 0.469 -1.583 1.00 0.00 H new ATOM 0 HA ARG A 18 5.689 -0.992 0.021 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.693 -1.682 -2.063 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.197 -0.011 -2.214 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.879 -2.336 -3.207 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.693 -1.521 -4.206 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.445 -0.179 -4.771 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.054 0.645 -3.275 1.00 0.00 H new ATOM 0 HE ARG A 18 8.927 -0.366 -2.205 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.509 -1.401 -5.552 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.141 -2.067 -5.673 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.021 -1.223 -2.365 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.558 -1.967 -3.875 1.00 0.00 H new ATOM 265 N ASP A 19 8.238 -2.673 -1.069 1.00 0.00 N ATOM 266 CA ASP A 19 8.908 -3.963 -0.988 1.00 0.00 C ATOM 267 C ASP A 19 8.905 -4.435 0.451 1.00 0.00 C ATOM 268 O ASP A 19 8.616 -5.600 0.744 1.00 0.00 O ATOM 269 CB ASP A 19 10.343 -3.858 -1.509 1.00 0.00 C ATOM 270 CG ASP A 19 10.945 -5.215 -1.818 1.00 0.00 C ATOM 271 OD1 ASP A 19 10.192 -6.212 -1.824 1.00 0.00 O ATOM 272 OD2 ASP A 19 12.170 -5.281 -2.054 1.00 0.00 O ATOM 0 H ASP A 19 8.817 -1.908 -1.417 1.00 0.00 H new ATOM 0 HA ASP A 19 8.375 -4.683 -1.609 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.356 -3.244 -2.409 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.960 -3.350 -0.768 1.00 0.00 H new ATOM 277 N LYS A 20 9.153 -3.502 1.355 1.00 0.00 N ATOM 278 CA LYS A 20 9.121 -3.801 2.771 1.00 0.00 C ATOM 279 C LYS A 20 7.692 -4.128 3.127 1.00 0.00 C ATOM 280 O LYS A 20 7.410 -5.114 3.810 1.00 0.00 O ATOM 281 CB LYS A 20 9.627 -2.614 3.586 1.00 0.00 C ATOM 282 CG LYS A 20 11.117 -2.375 3.431 1.00 0.00 C ATOM 283 CD LYS A 20 11.673 -1.540 4.572 1.00 0.00 C ATOM 284 CE LYS A 20 12.479 -0.364 4.050 1.00 0.00 C ATOM 285 NZ LYS A 20 12.931 0.533 5.150 1.00 0.00 N ATOM 0 H LYS A 20 9.378 -2.533 1.131 1.00 0.00 H new ATOM 0 HA LYS A 20 9.773 -4.644 3.000 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.088 -1.717 3.282 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.400 -2.781 4.639 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.637 -3.332 3.393 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.308 -1.871 2.484 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.854 -1.176 5.192 1.00 0.00 H new ATOM 0 HD3 LYS A 20 12.303 -2.162 5.208 1.00 0.00 H new ATOM 0 HE2 LYS A 20 13.347 -0.733 3.503 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.875 0.205 3.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.419 1.358 4.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.107 0.852 5.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 13.583 0.016 5.774 1.00 0.00 H new ATOM 299 N ALA A 21 6.797 -3.312 2.585 1.00 0.00 N ATOM 300 CA ALA A 21 5.374 -3.514 2.762 1.00 0.00 C ATOM 301 C ALA A 21 5.050 -4.952 2.387 1.00 0.00 C ATOM 302 O ALA A 21 4.378 -5.684 3.123 1.00 0.00 O ATOM 303 CB ALA A 21 4.594 -2.541 1.893 1.00 0.00 C ATOM 0 H ALA A 21 7.039 -2.500 2.016 1.00 0.00 H new ATOM 0 HA ALA A 21 5.091 -3.331 3.799 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.525 -2.703 2.035 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.847 -1.519 2.174 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.850 -2.703 0.846 1.00 0.00 H new ATOM 309 N GLU A 22 5.572 -5.357 1.237 1.00 0.00 N ATOM 310 CA GLU A 22 5.377 -6.712 0.754 1.00 0.00 C ATOM 311 C GLU A 22 6.085 -7.710 1.662 1.00 0.00 C ATOM 312 O GLU A 22 5.529 -8.761 1.994 1.00 0.00 O ATOM 313 CB GLU A 22 5.892 -6.850 -0.679 1.00 0.00 C ATOM 314 CG GLU A 22 4.827 -7.291 -1.669 1.00 0.00 C ATOM 315 CD GLU A 22 5.167 -6.920 -3.098 1.00 0.00 C ATOM 316 OE1 GLU A 22 6.194 -6.239 -3.306 1.00 0.00 O ATOM 317 OE2 GLU A 22 4.408 -7.308 -4.010 1.00 0.00 O ATOM 0 H GLU A 22 6.133 -4.765 0.624 1.00 0.00 H new ATOM 0 HA GLU A 22 4.308 -6.927 0.764 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.303 -5.893 -1.002 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.710 -7.570 -0.694 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.697 -8.371 -1.600 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.874 -6.837 -1.397 1.00 0.00 H new ATOM 324 N LYS A 23 7.313 -7.380 2.065 1.00 0.00 N ATOM 325 CA LYS A 23 8.077 -8.276 2.932 1.00 0.00 C ATOM 326 C LYS A 23 7.367 -8.469 4.257 1.00 0.00 C ATOM 327 O LYS A 23 7.112 -9.594 4.683 1.00 0.00 O ATOM 328 CB LYS A 23 9.491 -7.745 3.178 1.00 0.00 C ATOM 329 CG LYS A 23 10.001 -6.827 2.085 1.00 0.00 C ATOM 330 CD LYS A 23 10.051 -7.526 0.733 1.00 0.00 C ATOM 331 CE LYS A 23 8.664 -7.931 0.246 1.00 0.00 C ATOM 332 NZ LYS A 23 8.698 -8.461 -1.146 1.00 0.00 N ATOM 0 H LYS A 23 7.792 -6.516 1.811 1.00 0.00 H new ATOM 0 HA LYS A 23 8.154 -9.236 2.422 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.507 -7.208 4.127 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.173 -8.589 3.278 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.356 -5.951 2.017 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.997 -6.470 2.346 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.513 -6.865 0.000 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.682 -8.412 0.806 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.252 -8.688 0.913 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.997 -7.070 0.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.752 -8.804 -1.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.987 -7.705 -1.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.379 -9.245 -1.202 1.00 0.00 H new ATOM 346 N LEU A 24 7.028 -7.369 4.897 1.00 0.00 N ATOM 347 CA LEU A 24 6.317 -7.435 6.161 1.00 0.00 C ATOM 348 C LEU A 24 4.893 -7.931 5.931 1.00 0.00 C ATOM 349 O LEU A 24 4.357 -8.703 6.725 1.00 0.00 O ATOM 350 CB LEU A 24 6.306 -6.080 6.863 1.00 0.00 C ATOM 351 CG LEU A 24 5.231 -5.118 6.381 1.00 0.00 C ATOM 352 CD1 LEU A 24 5.271 -3.824 7.178 1.00 0.00 C ATOM 353 CD2 LEU A 24 5.415 -4.843 4.905 1.00 0.00 C ATOM 0 H LEU A 24 7.230 -6.425 4.568 1.00 0.00 H new ATOM 0 HA LEU A 24 6.839 -8.138 6.810 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.175 -6.242 7.933 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.280 -5.610 6.729 1.00 0.00 H new ATOM 0 HG LEU A 24 4.254 -5.576 6.535 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.494 -3.150 6.817 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.102 -4.041 8.233 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.246 -3.352 7.056 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.643 -4.153 4.564 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.397 -4.400 4.737 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.338 -5.777 4.349 1.00 0.00 H new ATOM 365 N LEU A 25 4.280 -7.476 4.831 1.00 0.00 N ATOM 366 CA LEU A 25 2.917 -7.872 4.502 1.00 0.00 C ATOM 367 C LEU A 25 2.819 -9.357 4.198 1.00 0.00 C ATOM 368 O LEU A 25 1.982 -10.063 4.762 1.00 0.00 O ATOM 369 CB LEU A 25 2.396 -7.072 3.308 1.00 0.00 C ATOM 370 CG LEU A 25 1.947 -5.644 3.618 1.00 0.00 C ATOM 371 CD1 LEU A 25 1.514 -4.936 2.342 1.00 0.00 C ATOM 372 CD2 LEU A 25 0.817 -5.652 4.634 1.00 0.00 C ATOM 0 H LEU A 25 4.708 -6.837 4.161 1.00 0.00 H new ATOM 0 HA LEU A 25 2.303 -7.660 5.377 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.179 -7.032 2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.556 -7.611 2.870 1.00 0.00 H new ATOM 0 HG LEU A 25 2.789 -5.100 4.045 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.197 -3.920 2.579 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.350 -4.902 1.643 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.684 -5.478 1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.509 -4.628 4.844 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.029 -6.210 4.233 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.159 -6.124 5.555 1.00 0.00 H new ATOM 384 N LEU A 26 3.673 -9.831 3.305 1.00 0.00 N ATOM 385 CA LEU A 26 3.666 -11.238 2.934 1.00 0.00 C ATOM 386 C LEU A 26 4.140 -12.099 4.098 1.00 0.00 C ATOM 387 O LEU A 26 3.700 -13.238 4.263 1.00 0.00 O ATOM 388 CB LEU A 26 4.539 -11.478 1.700 1.00 0.00 C ATOM 389 CG LEU A 26 5.966 -11.928 1.994 1.00 0.00 C ATOM 390 CD1 LEU A 26 6.799 -11.930 0.722 1.00 0.00 C ATOM 391 CD2 LEU A 26 6.592 -11.025 3.042 1.00 0.00 C ATOM 0 H LEU A 26 4.375 -9.267 2.826 1.00 0.00 H new ATOM 0 HA LEU A 26 2.642 -11.521 2.688 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.059 -12.231 1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.578 -10.558 1.117 1.00 0.00 H new ATOM 0 HG LEU A 26 5.938 -12.946 2.383 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.814 -12.254 0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.356 -12.613 -0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.825 -10.924 0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.611 -11.355 3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.609 -9.999 2.675 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.006 -11.072 3.960 1.00 0.00 H new ATOM 403 N ASP A 27 5.031 -11.541 4.907 1.00 0.00 N ATOM 404 CA ASP A 27 5.563 -12.243 6.065 1.00 0.00 C ATOM 405 C ASP A 27 4.476 -12.455 7.108 1.00 0.00 C ATOM 406 O ASP A 27 4.400 -13.507 7.744 1.00 0.00 O ATOM 407 CB ASP A 27 6.730 -11.465 6.673 1.00 0.00 C ATOM 408 CG ASP A 27 7.023 -11.882 8.101 1.00 0.00 C ATOM 409 OD1 ASP A 27 6.413 -11.305 9.025 1.00 0.00 O ATOM 410 OD2 ASP A 27 7.861 -12.787 8.294 1.00 0.00 O ATOM 0 H ASP A 27 5.401 -10.599 4.780 1.00 0.00 H new ATOM 0 HA ASP A 27 5.925 -13.217 5.736 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.621 -11.617 6.063 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.504 -10.399 6.648 1.00 0.00 H new ATOM 415 N THR A 28 3.636 -11.444 7.274 1.00 0.00 N ATOM 416 CA THR A 28 2.544 -11.504 8.235 1.00 0.00 C ATOM 417 C THR A 28 1.519 -12.546 7.818 1.00 0.00 C ATOM 418 O THR A 28 1.046 -13.334 8.637 1.00 0.00 O ATOM 419 CB THR A 28 1.878 -10.133 8.372 1.00 0.00 C ATOM 420 OG1 THR A 28 0.823 -10.181 9.315 1.00 0.00 O ATOM 421 CG2 THR A 28 1.310 -9.611 7.071 1.00 0.00 C ATOM 0 H THR A 28 3.690 -10.569 6.753 1.00 0.00 H new ATOM 0 HA THR A 28 2.956 -11.792 9.202 1.00 0.00 H new ATOM 0 HB THR A 28 2.669 -9.458 8.699 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.022 -10.859 9.994 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.853 -8.636 7.239 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.110 -9.515 6.337 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.557 -10.305 6.698 1.00 0.00 H new ATOM 429 N GLY A 29 1.189 -12.548 6.535 1.00 0.00 N ATOM 430 CA GLY A 29 0.229 -13.504 6.017 1.00 0.00 C ATOM 431 C GLY A 29 -1.196 -13.198 6.435 1.00 0.00 C ATOM 432 O GLY A 29 -2.002 -14.110 6.622 1.00 0.00 O ATOM 0 H GLY A 29 1.569 -11.904 5.841 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.288 -13.516 4.929 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.497 -14.503 6.362 1.00 0.00 H new ATOM 436 N LYS A 30 -1.514 -11.915 6.577 1.00 0.00 N ATOM 437 CA LYS A 30 -2.859 -11.504 6.968 1.00 0.00 C ATOM 438 C LYS A 30 -3.667 -11.086 5.752 1.00 0.00 C ATOM 439 O LYS A 30 -3.407 -10.038 5.160 1.00 0.00 O ATOM 440 CB LYS A 30 -2.811 -10.337 7.953 1.00 0.00 C ATOM 441 CG LYS A 30 -1.416 -10.033 8.474 1.00 0.00 C ATOM 442 CD LYS A 30 -1.432 -9.742 9.967 1.00 0.00 C ATOM 443 CE LYS A 30 -0.645 -8.484 10.298 1.00 0.00 C ATOM 444 NZ LYS A 30 -1.274 -7.710 11.404 1.00 0.00 N ATOM 0 H LYS A 30 -0.862 -11.145 6.428 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.334 -12.360 7.447 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.210 -9.446 7.467 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.464 -10.559 8.797 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.759 -10.879 8.274 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.005 -9.177 7.939 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.462 -9.628 10.305 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.011 -10.589 10.508 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.373 -8.756 10.578 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.574 -7.856 9.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.574 -7.061 11.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.077 -7.163 11.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.612 -8.365 12.138 1.00 0.00 H new ATOM 458 N GLU A 31 -4.656 -11.890 5.387 1.00 0.00 N ATOM 459 CA GLU A 31 -5.487 -11.555 4.246 1.00 0.00 C ATOM 460 C GLU A 31 -5.997 -10.130 4.398 1.00 0.00 C ATOM 461 O GLU A 31 -6.624 -9.793 5.402 1.00 0.00 O ATOM 462 CB GLU A 31 -6.665 -12.526 4.137 1.00 0.00 C ATOM 463 CG GLU A 31 -7.899 -12.067 4.896 1.00 0.00 C ATOM 464 CD GLU A 31 -7.685 -12.042 6.396 1.00 0.00 C ATOM 465 OE1 GLU A 31 -7.022 -12.965 6.917 1.00 0.00 O ATOM 466 OE2 GLU A 31 -8.181 -11.102 7.052 1.00 0.00 O ATOM 0 H GLU A 31 -4.898 -12.763 5.856 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.893 -11.635 3.336 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.922 -12.657 3.086 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.358 -13.502 4.514 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.180 -11.070 4.556 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.732 -12.730 4.663 1.00 0.00 H new ATOM 473 N GLY A 32 -5.724 -9.295 3.408 1.00 0.00 N ATOM 474 CA GLY A 32 -6.164 -7.924 3.471 1.00 0.00 C ATOM 475 C GLY A 32 -5.155 -7.015 4.135 1.00 0.00 C ATOM 476 O GLY A 32 -5.470 -5.870 4.449 1.00 0.00 O ATOM 0 H GLY A 32 -5.207 -9.544 2.565 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.362 -7.564 2.461 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.106 -7.874 4.017 1.00 0.00 H new ATOM 480 N ALA A 33 -3.939 -7.504 4.359 1.00 0.00 N ATOM 481 CA ALA A 33 -2.933 -6.666 5.007 1.00 0.00 C ATOM 482 C ALA A 33 -2.444 -5.597 4.043 1.00 0.00 C ATOM 483 O ALA A 33 -1.882 -5.910 2.995 1.00 0.00 O ATOM 484 CB ALA A 33 -1.771 -7.517 5.495 1.00 0.00 C ATOM 0 H ALA A 33 -3.632 -8.445 4.111 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.385 -6.176 5.869 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.029 -6.879 5.976 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.135 -8.253 6.211 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.315 -8.029 4.648 1.00 0.00 H new ATOM 490 N PHE A 34 -2.660 -4.331 4.391 1.00 0.00 N ATOM 491 CA PHE A 34 -2.232 -3.248 3.523 1.00 0.00 C ATOM 492 C PHE A 34 -1.323 -2.236 4.205 1.00 0.00 C ATOM 493 O PHE A 34 -1.295 -2.114 5.430 1.00 0.00 O ATOM 494 CB PHE A 34 -3.431 -2.534 2.913 1.00 0.00 C ATOM 495 CG PHE A 34 -4.483 -2.104 3.895 1.00 0.00 C ATOM 496 CD1 PHE A 34 -4.219 -1.140 4.855 1.00 0.00 C ATOM 497 CD2 PHE A 34 -5.758 -2.634 3.821 1.00 0.00 C ATOM 498 CE1 PHE A 34 -5.205 -0.721 5.715 1.00 0.00 C ATOM 499 CE2 PHE A 34 -6.748 -2.222 4.689 1.00 0.00 C ATOM 500 CZ PHE A 34 -6.471 -1.260 5.638 1.00 0.00 C ATOM 0 H PHE A 34 -3.121 -4.037 5.252 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.642 -3.721 2.738 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.076 -1.654 2.376 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.891 -3.193 2.177 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.229 -0.714 4.928 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.982 -3.381 3.073 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.987 0.035 6.455 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -7.737 -2.651 4.626 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.243 -0.931 6.318 1.00 0.00 H new ATOM 510 N MET A 35 -0.610 -1.492 3.370 1.00 0.00 N ATOM 511 CA MET A 35 0.295 -0.439 3.815 1.00 0.00 C ATOM 512 C MET A 35 0.559 0.528 2.661 1.00 0.00 C ATOM 513 O MET A 35 0.818 0.091 1.544 1.00 0.00 O ATOM 514 CB MET A 35 1.611 -1.032 4.321 1.00 0.00 C ATOM 515 CG MET A 35 1.660 -2.550 4.267 1.00 0.00 C ATOM 516 SD MET A 35 2.813 -3.249 5.465 1.00 0.00 S ATOM 517 CE MET A 35 2.659 -2.076 6.809 1.00 0.00 C ATOM 0 H MET A 35 -0.643 -1.603 2.357 1.00 0.00 H new ATOM 0 HA MET A 35 -0.171 0.101 4.639 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.432 -0.630 3.727 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.773 -0.709 5.349 1.00 0.00 H new ATOM 0 HG2 MET A 35 0.663 -2.949 4.452 1.00 0.00 H new ATOM 0 HG3 MET A 35 1.948 -2.865 3.264 1.00 0.00 H new ATOM 0 HE1 MET A 35 3.186 -2.455 7.685 1.00 0.00 H new ATOM 0 HE2 MET A 35 3.091 -1.121 6.510 1.00 0.00 H new ATOM 0 HE3 MET A 35 1.606 -1.937 7.052 1.00 0.00 H new ATOM 527 N VAL A 36 0.503 1.838 2.909 1.00 0.00 N ATOM 528 CA VAL A 36 0.744 2.802 1.837 1.00 0.00 C ATOM 529 C VAL A 36 2.078 3.490 2.008 1.00 0.00 C ATOM 530 O VAL A 36 2.429 3.935 3.100 1.00 0.00 O ATOM 531 CB VAL A 36 -0.348 3.881 1.761 1.00 0.00 C ATOM 532 CG1 VAL A 36 -0.904 4.001 0.351 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.443 3.583 2.754 1.00 0.00 C ATOM 0 H VAL A 36 0.298 2.248 3.820 1.00 0.00 H new ATOM 0 HA VAL A 36 0.735 2.225 0.913 1.00 0.00 H new ATOM 0 HB VAL A 36 0.098 4.842 2.018 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.674 4.772 0.328 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.101 4.270 -0.335 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.336 3.047 0.048 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.211 4.354 2.691 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.884 2.612 2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.026 3.567 3.761 1.00 0.00 H new ATOM 543 N ARG A 37 2.814 3.585 0.918 1.00 0.00 N ATOM 544 CA ARG A 37 4.102 4.231 0.941 1.00 0.00 C ATOM 545 C ARG A 37 4.152 5.362 -0.076 1.00 0.00 C ATOM 546 O ARG A 37 3.654 5.225 -1.200 1.00 0.00 O ATOM 547 CB ARG A 37 5.214 3.221 0.666 1.00 0.00 C ATOM 548 CG ARG A 37 5.261 2.750 -0.779 1.00 0.00 C ATOM 549 CD ARG A 37 6.665 2.856 -1.352 1.00 0.00 C ATOM 550 NE ARG A 37 7.185 4.218 -1.278 1.00 0.00 N ATOM 551 CZ ARG A 37 8.446 4.539 -1.543 1.00 0.00 C ATOM 552 NH1 ARG A 37 9.312 3.598 -1.900 1.00 0.00 N ATOM 553 NH2 ARG A 37 8.846 5.800 -1.453 1.00 0.00 N ATOM 0 H ARG A 37 2.537 3.221 0.006 1.00 0.00 H new ATOM 0 HA ARG A 37 4.255 4.652 1.935 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.173 3.669 0.925 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.079 2.357 1.317 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.920 1.716 -0.838 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.575 3.347 -1.380 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.330 2.184 -0.809 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.658 2.527 -2.391 1.00 0.00 H new ATOM 0 HE ARG A 37 6.544 4.964 -1.008 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.009 2.627 -1.971 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.280 3.847 -2.103 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.184 6.527 -1.180 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.815 6.043 -1.657 1.00 0.00 H new ATOM 567 N ASP A 38 4.759 6.475 0.319 1.00 0.00 N ATOM 568 CA ASP A 38 4.886 7.623 -0.564 1.00 0.00 C ATOM 569 C ASP A 38 6.140 7.488 -1.421 1.00 0.00 C ATOM 570 O ASP A 38 7.260 7.615 -0.925 1.00 0.00 O ATOM 571 CB ASP A 38 4.944 8.919 0.247 1.00 0.00 C ATOM 572 CG ASP A 38 6.170 9.750 -0.077 1.00 0.00 C ATOM 573 OD1 ASP A 38 6.172 10.418 -1.133 1.00 0.00 O ATOM 574 OD2 ASP A 38 7.128 9.732 0.724 1.00 0.00 O ATOM 0 H ASP A 38 5.170 6.605 1.244 1.00 0.00 H new ATOM 0 HA ASP A 38 4.012 7.658 -1.215 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.048 9.507 0.051 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.942 8.679 1.310 1.00 0.00 H new ATOM 579 N SER A 39 5.946 7.222 -2.707 1.00 0.00 N ATOM 580 CA SER A 39 7.061 7.061 -3.632 1.00 0.00 C ATOM 581 C SER A 39 7.596 8.412 -4.086 1.00 0.00 C ATOM 582 O SER A 39 7.359 9.434 -3.439 1.00 0.00 O ATOM 583 CB SER A 39 6.627 6.238 -4.846 1.00 0.00 C ATOM 584 OG SER A 39 7.311 4.997 -4.893 1.00 0.00 O ATOM 0 H SER A 39 5.026 7.113 -3.133 1.00 0.00 H new ATOM 0 HA SER A 39 7.859 6.535 -3.108 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.552 6.063 -4.805 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.824 6.800 -5.759 1.00 0.00 H new ATOM 590 N ARG A 40 8.295 8.415 -5.214 1.00 0.00 N ATOM 591 CA ARG A 40 8.838 9.637 -5.766 1.00 0.00 C ATOM 592 C ARG A 40 7.687 10.543 -6.137 1.00 0.00 C ATOM 593 O ARG A 40 7.441 11.541 -5.468 1.00 0.00 O ATOM 594 CB ARG A 40 9.701 9.342 -6.993 1.00 0.00 C ATOM 595 CG ARG A 40 11.194 9.422 -6.719 1.00 0.00 C ATOM 596 CD ARG A 40 11.655 8.294 -5.811 1.00 0.00 C ATOM 597 NE ARG A 40 12.622 8.752 -4.818 1.00 0.00 N ATOM 598 CZ ARG A 40 12.295 9.108 -3.580 1.00 0.00 C ATOM 599 NH1 ARG A 40 11.030 9.058 -3.186 1.00 0.00 N ATOM 600 NH2 ARG A 40 13.232 9.513 -2.733 1.00 0.00 N ATOM 0 H ARG A 40 8.497 7.579 -5.762 1.00 0.00 H new ATOM 0 HA ARG A 40 9.474 10.123 -5.026 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.461 8.346 -7.365 1.00 0.00 H new ATOM 0 HB3 ARG A 40 9.447 10.047 -7.784 1.00 0.00 H new ATOM 0 HG2 ARG A 40 11.741 9.379 -7.661 1.00 0.00 H new ATOM 0 HG3 ARG A 40 11.429 10.381 -6.258 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.793 7.861 -5.304 1.00 0.00 H new ATOM 0 HD3 ARG A 40 12.101 7.503 -6.414 1.00 0.00 H new ATOM 0 HE ARG A 40 13.604 8.802 -5.090 1.00 0.00 H new ATOM 0 HH11 ARG A 40 10.306 8.746 -3.833 1.00 0.00 H new ATOM 0 HH12 ARG A 40 10.781 9.332 -2.236 1.00 0.00 H new ATOM 0 HH21 ARG A 40 14.207 9.552 -3.031 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.978 9.786 -1.784 1.00 0.00 H new ATOM 614 N THR A 41 6.957 10.159 -7.180 1.00 0.00 N ATOM 615 CA THR A 41 5.797 10.927 -7.609 1.00 0.00 C ATOM 616 C THR A 41 5.070 11.436 -6.377 1.00 0.00 C ATOM 617 O THR A 41 4.129 10.811 -5.889 1.00 0.00 O ATOM 618 CB THR A 41 4.863 10.064 -8.462 1.00 0.00 C ATOM 619 OG1 THR A 41 3.688 10.779 -8.798 1.00 0.00 O ATOM 620 CG2 THR A 41 4.440 8.782 -7.774 1.00 0.00 C ATOM 0 H THR A 41 7.147 9.327 -7.739 1.00 0.00 H new ATOM 0 HA THR A 41 6.122 11.769 -8.220 1.00 0.00 H new ATOM 0 HB THR A 41 5.437 9.808 -9.352 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.105 10.212 -9.344 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.779 8.217 -8.432 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.322 8.184 -7.545 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.914 9.021 -6.850 1.00 0.00 H new ATOM 628 N PRO A 42 5.536 12.565 -5.833 1.00 0.00 N ATOM 629 CA PRO A 42 4.978 13.160 -4.616 1.00 0.00 C ATOM 630 C PRO A 42 3.577 13.711 -4.820 1.00 0.00 C ATOM 631 O PRO A 42 3.286 14.860 -4.483 1.00 0.00 O ATOM 632 CB PRO A 42 5.982 14.274 -4.282 1.00 0.00 C ATOM 633 CG PRO A 42 7.205 13.909 -5.057 1.00 0.00 C ATOM 634 CD PRO A 42 6.676 13.340 -6.331 1.00 0.00 C ATOM 0 HA PRO A 42 4.858 12.430 -3.815 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.603 15.253 -4.575 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.187 14.318 -3.212 1.00 0.00 H new ATOM 0 HG2 PRO A 42 7.834 14.780 -5.241 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.815 13.183 -4.520 1.00 0.00 H new ATOM 0 HD2 PRO A 42 6.373 14.115 -7.035 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.410 12.715 -6.841 1.00 0.00 H new ATOM 642 N GLY A 43 2.712 12.866 -5.360 1.00 0.00 N ATOM 643 CA GLY A 43 1.336 13.247 -5.595 1.00 0.00 C ATOM 644 C GLY A 43 0.373 12.185 -5.103 1.00 0.00 C ATOM 645 O GLY A 43 -0.745 12.489 -4.689 1.00 0.00 O ATOM 0 H GLY A 43 2.943 11.913 -5.642 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.127 14.190 -5.090 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.181 13.415 -6.661 1.00 0.00 H new ATOM 649 N THR A 44 0.817 10.931 -5.155 1.00 0.00 N ATOM 650 CA THR A 44 0.007 9.812 -4.721 1.00 0.00 C ATOM 651 C THR A 44 0.796 8.872 -3.811 1.00 0.00 C ATOM 652 O THR A 44 2.025 8.836 -3.851 1.00 0.00 O ATOM 653 CB THR A 44 -0.505 9.051 -5.937 1.00 0.00 C ATOM 654 OG1 THR A 44 -0.569 7.660 -5.674 1.00 0.00 O ATOM 655 CG2 THR A 44 0.351 9.246 -7.168 1.00 0.00 C ATOM 0 H THR A 44 1.742 10.671 -5.497 1.00 0.00 H new ATOM 0 HA THR A 44 -0.835 10.201 -4.149 1.00 0.00 H new ATOM 0 HB THR A 44 -1.496 9.459 -6.133 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.120 7.502 -4.879 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.069 8.677 -7.997 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.376 10.304 -7.430 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.364 8.898 -6.966 1.00 0.00 H new ATOM 663 N TYR A 45 0.071 8.108 -3.002 1.00 0.00 N ATOM 664 CA TYR A 45 0.680 7.151 -2.082 1.00 0.00 C ATOM 665 C TYR A 45 0.452 5.730 -2.579 1.00 0.00 C ATOM 666 O TYR A 45 -0.603 5.428 -3.129 1.00 0.00 O ATOM 667 CB TYR A 45 0.083 7.304 -0.682 1.00 0.00 C ATOM 668 CG TYR A 45 0.696 8.420 0.131 1.00 0.00 C ATOM 669 CD1 TYR A 45 1.925 8.254 0.756 1.00 0.00 C ATOM 670 CD2 TYR A 45 0.041 9.636 0.280 1.00 0.00 C ATOM 671 CE1 TYR A 45 2.485 9.268 1.507 1.00 0.00 C ATOM 672 CE2 TYR A 45 0.595 10.655 1.030 1.00 0.00 C ATOM 673 CZ TYR A 45 1.816 10.467 1.642 1.00 0.00 C ATOM 674 OH TYR A 45 2.371 11.480 2.389 1.00 0.00 O ATOM 0 H TYR A 45 -0.948 8.133 -2.964 1.00 0.00 H new ATOM 0 HA TYR A 45 1.751 7.350 -2.036 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.989 7.481 -0.773 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.206 6.365 -0.142 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.451 7.316 0.653 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.916 9.787 -0.198 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.442 9.123 1.986 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.074 11.595 1.137 1.00 0.00 H new ATOM 0 HH TYR A 45 2.309 11.256 3.341 1.00 0.00 H new ATOM 684 N THR A 46 1.434 4.854 -2.392 1.00 0.00 N ATOM 685 CA THR A 46 1.296 3.473 -2.842 1.00 0.00 C ATOM 686 C THR A 46 0.861 2.565 -1.699 1.00 0.00 C ATOM 687 O THR A 46 1.583 2.397 -0.718 1.00 0.00 O ATOM 688 CB THR A 46 2.607 2.978 -3.447 1.00 0.00 C ATOM 689 OG1 THR A 46 2.422 2.612 -4.803 1.00 0.00 O ATOM 690 CG2 THR A 46 3.191 1.785 -2.724 1.00 0.00 C ATOM 0 H THR A 46 2.322 5.071 -1.939 1.00 0.00 H new ATOM 0 HA THR A 46 0.522 3.443 -3.609 1.00 0.00 H new ATOM 0 HB THR A 46 3.303 3.812 -3.352 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.121 1.486 -3.207 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.390 2.051 -1.686 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.483 0.957 -2.757 1.00 0.00 H new ATOM 698 N VAL A 47 -0.334 1.989 -1.829 1.00 0.00 N ATOM 699 CA VAL A 47 -0.872 1.109 -0.802 1.00 0.00 C ATOM 700 C VAL A 47 -0.595 -0.357 -1.107 1.00 0.00 C ATOM 701 O VAL A 47 -1.053 -0.894 -2.114 1.00 0.00 O ATOM 702 CB VAL A 47 -2.392 1.307 -0.619 1.00 0.00 C ATOM 703 CG1 VAL A 47 -3.104 -0.036 -0.543 1.00 0.00 C ATOM 704 CG2 VAL A 47 -2.676 2.133 0.628 1.00 0.00 C ATOM 0 H VAL A 47 -0.944 2.118 -2.636 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.363 1.379 0.123 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.773 1.847 -1.485 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.174 0.126 -0.414 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.930 -0.593 -1.464 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.719 -0.605 0.303 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.752 2.263 0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.278 1.619 1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.201 3.109 0.534 1.00 0.00 H new ATOM 714 N SER A 48 0.142 -0.998 -0.207 1.00 0.00 N ATOM 715 CA SER A 48 0.473 -2.407 -0.337 1.00 0.00 C ATOM 716 C SER A 48 -0.533 -3.236 0.451 1.00 0.00 C ATOM 717 O SER A 48 -0.670 -3.060 1.662 1.00 0.00 O ATOM 718 CB SER A 48 1.897 -2.675 0.168 1.00 0.00 C ATOM 719 OG SER A 48 2.301 -4.000 -0.131 1.00 0.00 O ATOM 0 H SER A 48 0.524 -0.556 0.629 1.00 0.00 H new ATOM 0 HA SER A 48 0.428 -2.689 -1.389 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.588 -1.968 -0.291 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.942 -2.512 1.245 1.00 0.00 H new ATOM 0 HG SER A 48 2.190 -4.167 -1.090 1.00 0.00 H new ATOM 725 N VAL A 49 -1.244 -4.117 -0.248 1.00 0.00 N ATOM 726 CA VAL A 49 -2.252 -4.962 0.372 1.00 0.00 C ATOM 727 C VAL A 49 -1.899 -6.440 0.223 1.00 0.00 C ATOM 728 O VAL A 49 -1.378 -6.863 -0.812 1.00 0.00 O ATOM 729 CB VAL A 49 -3.641 -4.700 -0.239 1.00 0.00 C ATOM 730 CG1 VAL A 49 -4.692 -4.555 0.850 1.00 0.00 C ATOM 731 CG2 VAL A 49 -3.605 -3.460 -1.121 1.00 0.00 C ATOM 0 H VAL A 49 -1.137 -4.262 -1.252 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.278 -4.712 1.433 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.912 -5.556 -0.857 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.665 -4.371 0.394 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.735 -5.471 1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.431 -3.719 1.499 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.594 -3.287 -1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.311 -2.597 -0.524 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.885 -3.607 -1.926 1.00 0.00 H new ATOM 741 N PHE A 50 -2.178 -7.221 1.267 1.00 0.00 N ATOM 742 CA PHE A 50 -1.874 -8.649 1.250 1.00 0.00 C ATOM 743 C PHE A 50 -3.093 -9.497 1.592 1.00 0.00 C ATOM 744 O PHE A 50 -3.697 -9.336 2.661 1.00 0.00 O ATOM 745 CB PHE A 50 -0.742 -8.967 2.228 1.00 0.00 C ATOM 746 CG PHE A 50 -0.562 -10.440 2.464 1.00 0.00 C ATOM 747 CD1 PHE A 50 -1.556 -11.181 3.083 1.00 0.00 C ATOM 748 CD2 PHE A 50 0.597 -11.084 2.061 1.00 0.00 C ATOM 749 CE1 PHE A 50 -1.397 -12.537 3.298 1.00 0.00 C ATOM 750 CE2 PHE A 50 0.760 -12.441 2.272 1.00 0.00 C ATOM 751 CZ PHE A 50 -0.238 -13.167 2.891 1.00 0.00 C ATOM 0 H PHE A 50 -2.611 -6.890 2.129 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.563 -8.897 0.235 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.189 -8.550 1.844 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.943 -8.475 3.179 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.466 -10.693 3.401 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.381 -10.520 1.577 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.178 -13.103 3.784 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.667 -12.932 1.953 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.112 -14.227 3.057 1.00 0.00 H new ATOM 761 N THR A 51 -3.429 -10.411 0.677 1.00 0.00 N ATOM 762 CA THR A 51 -4.555 -11.319 0.847 1.00 0.00 C ATOM 763 C THR A 51 -4.072 -12.757 1.007 1.00 0.00 C ATOM 764 O THR A 51 -3.137 -13.187 0.331 1.00 0.00 O ATOM 765 CB THR A 51 -5.508 -11.217 -0.345 1.00 0.00 C ATOM 766 OG1 THR A 51 -6.832 -11.532 0.045 1.00 0.00 O ATOM 767 CG2 THR A 51 -5.135 -12.136 -1.488 1.00 0.00 C ATOM 0 H THR A 51 -2.925 -10.538 -0.201 1.00 0.00 H new ATOM 0 HA THR A 51 -5.089 -11.030 1.752 1.00 0.00 H new ATOM 0 HB THR A 51 -5.432 -10.186 -0.690 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.280 -10.722 0.366 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.851 -12.014 -2.301 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.136 -11.886 -1.844 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.150 -13.170 -1.143 1.00 0.00 H new ATOM 775 N LYS A 52 -4.715 -13.499 1.905 1.00 0.00 N ATOM 776 CA LYS A 52 -4.347 -14.890 2.150 1.00 0.00 C ATOM 777 C LYS A 52 -5.028 -15.819 1.149 1.00 0.00 C ATOM 778 O LYS A 52 -6.223 -15.696 0.885 1.00 0.00 O ATOM 779 CB LYS A 52 -4.727 -15.298 3.575 1.00 0.00 C ATOM 780 CG LYS A 52 -3.719 -14.856 4.624 1.00 0.00 C ATOM 781 CD LYS A 52 -3.767 -15.750 5.852 1.00 0.00 C ATOM 782 CE LYS A 52 -2.654 -16.785 5.831 1.00 0.00 C ATOM 783 NZ LYS A 52 -2.491 -17.451 7.152 1.00 0.00 N ATOM 0 H LYS A 52 -5.491 -13.161 2.474 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.268 -14.979 2.027 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.701 -14.874 3.818 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.832 -16.382 3.618 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.716 -14.875 4.198 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.922 -13.825 4.914 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.681 -15.140 6.751 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.733 -16.253 5.899 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.870 -17.535 5.070 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.717 -16.305 5.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.723 -18.150 7.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.260 -16.739 7.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.377 -17.931 7.411 1.00 0.00 H new ATOM 797 N ALA A 53 -4.256 -16.748 0.596 1.00 0.00 N ATOM 798 CA ALA A 53 -4.775 -17.699 -0.373 1.00 0.00 C ATOM 799 C ALA A 53 -4.952 -19.078 0.254 1.00 0.00 C ATOM 800 O ALA A 53 -4.249 -19.436 1.198 1.00 0.00 O ATOM 801 CB ALA A 53 -3.858 -17.776 -1.583 1.00 0.00 C ATOM 0 H ALA A 53 -3.264 -16.861 0.805 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.755 -17.350 -0.700 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.260 -18.492 -2.299 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.790 -16.794 -2.051 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.865 -18.097 -1.267 1.00 0.00 H new ATOM 807 N ILE A 54 -5.895 -19.849 -0.280 1.00 0.00 N ATOM 808 CA ILE A 54 -6.161 -21.186 0.225 1.00 0.00 C ATOM 809 C ILE A 54 -4.871 -21.890 0.626 1.00 0.00 C ATOM 810 O ILE A 54 -4.466 -21.852 1.788 1.00 0.00 O ATOM 811 CB ILE A 54 -6.896 -22.039 -0.827 1.00 0.00 C ATOM 812 CG1 ILE A 54 -6.791 -23.522 -0.477 1.00 0.00 C ATOM 813 CG2 ILE A 54 -6.332 -21.773 -2.214 1.00 0.00 C ATOM 814 CD1 ILE A 54 -6.953 -24.438 -1.670 1.00 0.00 C ATOM 0 H ILE A 54 -6.486 -19.568 -1.062 1.00 0.00 H new ATOM 0 HA ILE A 54 -6.795 -21.076 1.105 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.950 -21.760 -0.827 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.822 -23.710 -0.014 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.552 -23.767 0.264 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.862 -22.383 -2.945 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.457 -20.719 -2.462 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.272 -22.026 -2.230 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.867 -25.475 -1.347 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.933 -24.279 -2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.176 -24.221 -2.403 1.00 0.00 H new ATOM 826 N ILE A 55 -4.227 -22.531 -0.343 1.00 0.00 N ATOM 827 CA ILE A 55 -2.980 -23.241 -0.090 1.00 0.00 C ATOM 828 C ILE A 55 -2.285 -23.621 -1.391 1.00 0.00 C ATOM 829 O ILE A 55 -1.061 -23.743 -1.442 1.00 0.00 O ATOM 830 CB ILE A 55 -3.215 -24.514 0.745 1.00 0.00 C ATOM 831 CG1 ILE A 55 -2.084 -24.702 1.757 1.00 0.00 C ATOM 832 CG2 ILE A 55 -3.330 -25.729 -0.161 1.00 0.00 C ATOM 833 CD1 ILE A 55 -1.853 -26.146 2.145 1.00 0.00 C ATOM 0 H ILE A 55 -4.548 -22.573 -1.310 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.341 -22.560 0.472 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.152 -24.404 1.291 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.163 -24.295 1.340 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.310 -24.125 2.654 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.496 -26.620 0.445 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.167 -25.594 -0.846 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.409 -25.845 -0.733 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.037 -26.203 2.865 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.760 -26.552 2.592 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.595 -26.724 1.258 1.00 0.00 H new ATOM 845 N SER A 56 -3.073 -23.805 -2.442 1.00 0.00 N ATOM 846 CA SER A 56 -2.534 -24.171 -3.747 1.00 0.00 C ATOM 847 C SER A 56 -2.142 -22.929 -4.540 1.00 0.00 C ATOM 848 O SER A 56 -1.096 -22.897 -5.187 1.00 0.00 O ATOM 849 CB SER A 56 -3.559 -24.991 -4.533 1.00 0.00 C ATOM 850 OG SER A 56 -3.536 -26.352 -4.137 1.00 0.00 O ATOM 0 H SER A 56 -4.088 -23.707 -2.417 1.00 0.00 H new ATOM 0 HA SER A 56 -1.641 -24.775 -3.588 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.556 -24.580 -4.375 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.348 -24.916 -5.600 1.00 0.00 H new ATOM 0 HG SER A 56 -4.201 -26.854 -4.653 1.00 0.00 H new ATOM 856 N GLU A 57 -2.990 -21.908 -4.486 1.00 0.00 N ATOM 857 CA GLU A 57 -2.736 -20.664 -5.197 1.00 0.00 C ATOM 858 C GLU A 57 -1.714 -19.808 -4.454 1.00 0.00 C ATOM 859 O GLU A 57 -0.935 -19.080 -5.068 1.00 0.00 O ATOM 860 CB GLU A 57 -4.037 -19.881 -5.380 1.00 0.00 C ATOM 861 CG GLU A 57 -4.628 -20.000 -6.775 1.00 0.00 C ATOM 862 CD GLU A 57 -4.040 -18.997 -7.746 1.00 0.00 C ATOM 863 OE1 GLU A 57 -3.041 -18.338 -7.387 1.00 0.00 O ATOM 864 OE2 GLU A 57 -4.577 -18.870 -8.868 1.00 0.00 O ATOM 0 H GLU A 57 -3.861 -21.919 -3.955 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.329 -20.914 -6.177 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.769 -20.234 -4.653 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.852 -18.829 -5.161 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.458 -21.008 -7.153 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.707 -19.858 -6.721 1.00 0.00 H new ATOM 871 N ASN A 58 -1.727 -19.901 -3.128 1.00 0.00 N ATOM 872 CA ASN A 58 -0.803 -19.133 -2.301 1.00 0.00 C ATOM 873 C ASN A 58 -1.307 -17.708 -2.105 1.00 0.00 C ATOM 874 O ASN A 58 -1.901 -17.119 -3.009 1.00 0.00 O ATOM 875 CB ASN A 58 0.589 -19.113 -2.936 1.00 0.00 C ATOM 876 CG ASN A 58 1.669 -19.582 -1.982 1.00 0.00 C ATOM 877 OD1 ASN A 58 2.302 -18.638 -1.295 1.00 0.00 O flip ATOM 878 ND2 ASN A 58 1.929 -20.779 -1.863 1.00 0.00 N flip ATOM 0 H ASN A 58 -2.366 -20.499 -2.604 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.741 -19.615 -1.325 1.00 0.00 H new ATOM 0 HB2 ASN A 58 0.590 -19.749 -3.822 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.818 -18.101 -3.270 1.00 0.00 H new ATOM 0 HD21 ASN A 58 1.416 -21.469 -2.412 1.00 0.00 H new ATOM 0 HD22 ASN A 58 2.657 -21.081 -1.216 1.00 0.00 H new ATOM 885 N PRO A 59 -1.074 -17.134 -0.915 1.00 0.00 N ATOM 886 CA PRO A 59 -1.504 -15.768 -0.595 1.00 0.00 C ATOM 887 C PRO A 59 -0.947 -14.746 -1.578 1.00 0.00 C ATOM 888 O PRO A 59 0.259 -14.698 -1.821 1.00 0.00 O ATOM 889 CB PRO A 59 -0.938 -15.526 0.813 1.00 0.00 C ATOM 890 CG PRO A 59 0.088 -16.590 1.016 1.00 0.00 C ATOM 891 CD PRO A 59 -0.371 -17.767 0.207 1.00 0.00 C ATOM 0 HA PRO A 59 -2.587 -15.660 -0.651 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.495 -14.533 0.893 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.722 -15.587 1.568 1.00 0.00 H new ATOM 0 HG2 PRO A 59 1.071 -16.251 0.689 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.175 -16.852 2.071 1.00 0.00 H new ATOM 0 HD2 PRO A 59 0.467 -18.376 -0.132 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -1.029 -18.420 0.780 1.00 0.00 H new ATOM 899 N CYS A 60 -1.831 -13.931 -2.144 1.00 0.00 N ATOM 900 CA CYS A 60 -1.421 -12.915 -3.104 1.00 0.00 C ATOM 901 C CYS A 60 -1.471 -11.520 -2.487 1.00 0.00 C ATOM 902 O CYS A 60 -2.543 -11.018 -2.146 1.00 0.00 O ATOM 903 CB CYS A 60 -2.315 -12.967 -4.345 1.00 0.00 C ATOM 904 SG CYS A 60 -2.868 -14.630 -4.786 1.00 0.00 S ATOM 0 H CYS A 60 -2.833 -13.955 -1.955 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.391 -13.124 -3.393 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -3.189 -12.338 -4.177 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.773 -12.540 -5.189 1.00 0.00 H new ATOM 0 HG CYS A 60 -2.317 -15.496 -3.989 1.00 0.00 H new ATOM 910 N ILE A 61 -0.304 -10.902 -2.354 1.00 0.00 N ATOM 911 CA ILE A 61 -0.201 -9.562 -1.789 1.00 0.00 C ATOM 912 C ILE A 61 0.189 -8.557 -2.867 1.00 0.00 C ATOM 913 O ILE A 61 1.131 -8.789 -3.625 1.00 0.00 O ATOM 914 CB ILE A 61 0.832 -9.522 -0.649 1.00 0.00 C ATOM 915 CG1 ILE A 61 1.210 -8.080 -0.319 1.00 0.00 C ATOM 916 CG2 ILE A 61 2.066 -10.327 -1.025 1.00 0.00 C ATOM 917 CD1 ILE A 61 2.179 -7.965 0.838 1.00 0.00 C ATOM 0 H ILE A 61 0.589 -11.310 -2.631 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.178 -9.295 -1.385 1.00 0.00 H new ATOM 0 HB ILE A 61 0.386 -9.970 0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.652 -7.616 -1.201 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.305 -7.519 -0.083 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.788 -10.289 -0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.782 -11.363 -1.211 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.514 -9.907 -1.925 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.406 -6.914 1.020 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.732 -8.400 1.732 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.099 -8.498 0.597 1.00 0.00 H new ATOM 929 N LYS A 62 -0.537 -7.444 -2.947 1.00 0.00 N ATOM 930 CA LYS A 62 -0.246 -6.430 -3.956 1.00 0.00 C ATOM 931 C LYS A 62 -0.472 -5.017 -3.427 1.00 0.00 C ATOM 932 O LYS A 62 -1.259 -4.801 -2.506 1.00 0.00 O ATOM 933 CB LYS A 62 -1.100 -6.657 -5.205 1.00 0.00 C ATOM 934 CG LYS A 62 -2.437 -7.316 -4.920 1.00 0.00 C ATOM 935 CD LYS A 62 -2.944 -8.087 -6.128 1.00 0.00 C ATOM 936 CE LYS A 62 -3.988 -7.296 -6.899 1.00 0.00 C ATOM 937 NZ LYS A 62 -3.826 -5.828 -6.709 1.00 0.00 N ATOM 0 H LYS A 62 -1.321 -7.223 -2.333 1.00 0.00 H new ATOM 0 HA LYS A 62 0.809 -6.527 -4.214 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.275 -5.699 -5.694 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.542 -7.276 -5.908 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.338 -7.992 -4.071 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.166 -6.556 -4.639 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.108 -8.325 -6.786 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.372 -9.035 -5.802 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.914 -7.535 -7.960 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.984 -7.596 -6.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.416 -5.321 -7.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.120 -5.568 -5.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.829 -5.568 -6.849 1.00 0.00 H new ATOM 951 N HIS A 63 0.226 -4.059 -4.032 1.00 0.00 N ATOM 952 CA HIS A 63 0.113 -2.659 -3.647 1.00 0.00 C ATOM 953 C HIS A 63 -0.378 -1.809 -4.818 1.00 0.00 C ATOM 954 O HIS A 63 -0.116 -2.127 -5.978 1.00 0.00 O ATOM 955 CB HIS A 63 1.465 -2.135 -3.164 1.00 0.00 C ATOM 956 CG HIS A 63 2.485 -3.213 -2.961 1.00 0.00 C ATOM 957 ND1 HIS A 63 2.342 -4.470 -2.471 1.00 0.00 N flip ATOM 958 CD2 HIS A 63 3.819 -3.075 -3.270 1.00 0.00 C flip ATOM 959 CE1 HIS A 63 3.580 -5.106 -2.475 1.00 0.00 C flip ATOM 960 NE2 HIS A 63 4.433 -4.227 -2.965 1.00 0.00 N flip ATOM 0 H HIS A 63 0.880 -4.231 -4.796 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.613 -2.589 -2.837 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.847 -1.416 -3.889 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.324 -1.598 -2.226 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.288 -2.195 -3.685 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.797 -6.111 -2.145 1.00 0.00 H new ATOM 0 HE2 HIS A 63 5.430 -4.401 -3.095 1.00 0.00 H new ATOM 968 N TYR A 64 -1.076 -0.722 -4.507 1.00 0.00 N ATOM 969 CA TYR A 64 -1.582 0.179 -5.535 1.00 0.00 C ATOM 970 C TYR A 64 -1.308 1.626 -5.155 1.00 0.00 C ATOM 971 O TYR A 64 -1.533 2.032 -4.013 1.00 0.00 O ATOM 972 CB TYR A 64 -3.087 -0.019 -5.744 1.00 0.00 C ATOM 973 CG TYR A 64 -3.677 -1.152 -4.939 1.00 0.00 C ATOM 974 CD1 TYR A 64 -3.236 -2.457 -5.119 1.00 0.00 C ATOM 975 CD2 TYR A 64 -4.674 -0.918 -3.998 1.00 0.00 C ATOM 976 CE1 TYR A 64 -3.773 -3.498 -4.385 1.00 0.00 C ATOM 977 CE2 TYR A 64 -5.213 -1.952 -3.262 1.00 0.00 C ATOM 978 CZ TYR A 64 -4.761 -3.240 -3.457 1.00 0.00 C ATOM 979 OH TYR A 64 -5.297 -4.274 -2.724 1.00 0.00 O ATOM 0 H TYR A 64 -1.304 -0.444 -3.552 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.065 -0.053 -6.466 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.604 0.905 -5.484 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -3.275 -0.203 -6.802 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -2.462 -2.661 -5.844 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -5.032 0.089 -3.841 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.421 -4.508 -4.537 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -5.987 -1.754 -2.535 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.054 -3.943 -2.197 1.00 0.00 H new ATOM 989 N HIS A 65 -0.825 2.410 -6.114 1.00 0.00 N ATOM 990 CA HIS A 65 -0.535 3.811 -5.858 1.00 0.00 C ATOM 991 C HIS A 65 -1.824 4.614 -5.821 1.00 0.00 C ATOM 992 O HIS A 65 -2.521 4.741 -6.827 1.00 0.00 O ATOM 993 CB HIS A 65 0.410 4.385 -6.914 1.00 0.00 C ATOM 994 CG HIS A 65 1.246 5.509 -6.388 1.00 0.00 C ATOM 995 ND1 HIS A 65 1.860 5.646 -5.186 1.00 0.00 N flip ATOM 996 CD2 HIS A 65 1.524 6.661 -7.089 1.00 0.00 C flip ATOM 997 CE1 HIS A 65 2.512 6.874 -5.143 1.00 0.00 C flip ATOM 998 NE2 HIS A 65 2.280 7.443 -6.308 1.00 0.00 N flip ATOM 0 H HIS A 65 -0.629 2.100 -7.066 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.040 3.880 -4.889 1.00 0.00 H new ATOM 0 HB2 HIS A 65 1.062 3.593 -7.281 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.173 4.738 -7.765 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.192 6.893 -8.090 1.00 0.00 H new ATOM 0 HE1 HIS A 65 3.089 7.277 -4.324 1.00 0.00 H new ATOM 0 HE2 HIS A 65 2.631 8.361 -6.580 1.00 0.00 H new ATOM 1006 N ILE A 66 -2.140 5.150 -4.650 1.00 0.00 N ATOM 1007 CA ILE A 66 -3.353 5.935 -4.483 1.00 0.00 C ATOM 1008 C ILE A 66 -3.229 7.285 -5.174 1.00 0.00 C ATOM 1009 O ILE A 66 -2.428 8.131 -4.775 1.00 0.00 O ATOM 1010 CB ILE A 66 -3.689 6.158 -2.996 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -4.016 4.827 -2.311 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -4.855 7.128 -2.863 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -3.541 3.609 -3.079 1.00 0.00 C ATOM 0 H ILE A 66 -1.575 5.056 -3.806 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.161 5.365 -4.942 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.818 6.589 -2.503 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.563 4.819 -1.320 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.095 4.758 -2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.084 7.279 -1.808 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.588 8.083 -3.316 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.729 6.718 -3.369 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.809 2.706 -2.531 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.013 3.591 -4.061 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.458 3.653 -3.198 1.00 0.00 H new ATOM 1025 N LYS A 67 -4.028 7.477 -6.215 1.00 0.00 N ATOM 1026 CA LYS A 67 -4.018 8.719 -6.976 1.00 0.00 C ATOM 1027 C LYS A 67 -4.935 9.756 -6.339 1.00 0.00 C ATOM 1028 O LYS A 67 -5.930 9.412 -5.704 1.00 0.00 O ATOM 1029 CB LYS A 67 -4.454 8.449 -8.416 1.00 0.00 C ATOM 1030 CG LYS A 67 -3.663 7.344 -9.097 1.00 0.00 C ATOM 1031 CD LYS A 67 -4.465 6.055 -9.177 1.00 0.00 C ATOM 1032 CE LYS A 67 -4.453 5.476 -10.583 1.00 0.00 C ATOM 1033 NZ LYS A 67 -5.797 4.980 -10.993 1.00 0.00 N ATOM 0 H LYS A 67 -4.695 6.784 -6.553 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.003 9.115 -6.974 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.511 8.184 -8.422 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.352 9.367 -8.995 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.382 7.662 -10.101 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -2.738 7.165 -8.548 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.054 5.326 -8.479 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.493 6.246 -8.870 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.118 6.238 -11.286 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.734 4.658 -10.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.688 4.136 -11.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.350 4.737 -10.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.292 5.721 -11.529 1.00 0.00 H new ATOM 1047 N GLU A 68 -4.591 11.028 -6.507 1.00 0.00 N ATOM 1048 CA GLU A 68 -5.386 12.118 -5.949 1.00 0.00 C ATOM 1049 C GLU A 68 -6.098 12.897 -7.056 1.00 0.00 C ATOM 1050 O GLU A 68 -5.670 12.875 -8.209 1.00 0.00 O ATOM 1051 CB GLU A 68 -4.487 13.052 -5.136 1.00 0.00 C ATOM 1052 CG GLU A 68 -3.611 12.328 -4.127 1.00 0.00 C ATOM 1053 CD GLU A 68 -3.373 13.142 -2.870 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -3.831 14.302 -2.819 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -2.731 12.617 -1.935 1.00 0.00 O ATOM 0 H GLU A 68 -3.766 11.331 -7.025 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.146 11.693 -5.294 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.851 13.615 -5.819 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.110 13.776 -4.610 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.079 11.381 -3.859 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.652 12.090 -4.588 1.00 0.00 H new ATOM 1062 N THR A 69 -7.179 13.597 -6.701 1.00 0.00 N ATOM 1063 CA THR A 69 -7.922 14.388 -7.685 1.00 0.00 C ATOM 1064 C THR A 69 -8.659 15.558 -7.028 1.00 0.00 C ATOM 1065 O THR A 69 -8.352 15.940 -5.910 1.00 0.00 O ATOM 1066 CB THR A 69 -8.892 13.509 -8.471 1.00 0.00 C ATOM 1067 OG1 THR A 69 -10.208 14.026 -8.405 1.00 0.00 O ATOM 1068 CG2 THR A 69 -8.926 12.079 -7.986 1.00 0.00 C ATOM 0 H THR A 69 -7.555 13.633 -5.753 1.00 0.00 H new ATOM 0 HA THR A 69 -7.196 14.806 -8.383 1.00 0.00 H new ATOM 0 HB THR A 69 -8.524 13.516 -9.497 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.438 14.218 -7.472 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.635 11.508 -8.586 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.933 11.639 -8.080 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.235 12.056 -6.941 1.00 0.00 H new ATOM 1076 N ASN A 70 -9.617 16.143 -7.738 1.00 0.00 N ATOM 1077 CA ASN A 70 -10.367 17.281 -7.219 1.00 0.00 C ATOM 1078 C ASN A 70 -11.864 17.011 -7.209 1.00 0.00 C ATOM 1079 O ASN A 70 -12.638 17.787 -7.768 1.00 0.00 O ATOM 1080 CB ASN A 70 -10.072 18.532 -8.048 1.00 0.00 C ATOM 1081 CG ASN A 70 -10.061 18.248 -9.537 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -10.747 17.186 -9.943 1.00 0.00 O flip ATOM 1083 ND2 ASN A 70 -9.441 18.974 -10.314 1.00 0.00 N flip ATOM 0 H ASN A 70 -9.893 15.848 -8.675 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.047 17.443 -6.190 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.821 19.293 -7.831 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -9.106 18.942 -7.752 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.927 19.780 -9.959 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.441 18.769 -11.313 1.00 0.00 H new ATOM 1090 N ASP A 71 -12.279 15.917 -6.589 1.00 0.00 N ATOM 1091 CA ASP A 71 -13.713 15.598 -6.555 1.00 0.00 C ATOM 1092 C ASP A 71 -14.467 16.532 -5.622 1.00 0.00 C ATOM 1093 O ASP A 71 -14.923 17.597 -6.037 1.00 0.00 O ATOM 1094 CB ASP A 71 -13.991 14.151 -6.151 1.00 0.00 C ATOM 1095 CG ASP A 71 -15.475 13.841 -6.123 1.00 0.00 C ATOM 1096 OD1 ASP A 71 -16.187 14.264 -7.056 1.00 0.00 O ATOM 1097 OD2 ASP A 71 -15.924 13.174 -5.167 1.00 0.00 O ATOM 0 H ASP A 71 -11.672 15.249 -6.114 1.00 0.00 H new ATOM 0 HA ASP A 71 -14.069 15.736 -7.576 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -13.494 13.478 -6.850 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.563 13.961 -5.167 1.00 0.00 H new ATOM 1102 N SER A 72 -14.616 16.126 -4.362 1.00 0.00 N ATOM 1103 CA SER A 72 -15.342 16.943 -3.406 1.00 0.00 C ATOM 1104 C SER A 72 -14.860 16.738 -1.972 1.00 0.00 C ATOM 1105 O SER A 72 -15.666 16.718 -1.042 1.00 0.00 O ATOM 1106 CB SER A 72 -16.841 16.649 -3.493 1.00 0.00 C ATOM 1107 OG SER A 72 -17.312 16.045 -2.302 1.00 0.00 O ATOM 0 H SER A 72 -14.249 15.251 -3.989 1.00 0.00 H new ATOM 0 HA SER A 72 -15.150 17.983 -3.668 1.00 0.00 H new ATOM 0 HB2 SER A 72 -17.386 17.575 -3.675 1.00 0.00 H new ATOM 0 HB3 SER A 72 -17.037 15.992 -4.340 1.00 0.00 H new ATOM 0 HG SER A 72 -17.088 16.614 -1.536 1.00 0.00 H new ATOM 1113 N PRO A 73 -13.542 16.572 -1.764 1.00 0.00 N ATOM 1114 CA PRO A 73 -12.524 16.579 -2.793 1.00 0.00 C ATOM 1115 C PRO A 73 -11.873 15.203 -2.976 1.00 0.00 C ATOM 1116 O PRO A 73 -11.121 14.761 -2.109 1.00 0.00 O ATOM 1117 CB PRO A 73 -11.520 17.518 -2.137 1.00 0.00 C ATOM 1118 CG PRO A 73 -11.601 17.168 -0.668 1.00 0.00 C ATOM 1119 CD PRO A 73 -12.892 16.384 -0.474 1.00 0.00 C ATOM 0 HA PRO A 73 -12.892 16.855 -3.781 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.515 17.365 -2.529 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.776 18.563 -2.314 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -10.739 16.575 -0.364 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -11.600 18.069 -0.055 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.705 15.332 -0.258 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -13.491 16.776 0.348 1.00 0.00 H new ATOM 1127 N LYS A 74 -12.133 14.530 -4.094 1.00 0.00 N ATOM 1128 CA LYS A 74 -11.517 13.222 -4.323 1.00 0.00 C ATOM 1129 C LYS A 74 -10.024 13.405 -4.506 1.00 0.00 C ATOM 1130 O LYS A 74 -9.547 13.712 -5.599 1.00 0.00 O ATOM 1131 CB LYS A 74 -12.117 12.484 -5.526 1.00 0.00 C ATOM 1132 CG LYS A 74 -11.677 13.024 -6.880 1.00 0.00 C ATOM 1133 CD LYS A 74 -12.246 12.194 -8.023 1.00 0.00 C ATOM 1134 CE LYS A 74 -13.174 13.012 -8.911 1.00 0.00 C ATOM 1135 NZ LYS A 74 -12.587 14.332 -9.274 1.00 0.00 N ATOM 0 H LYS A 74 -12.749 14.856 -4.839 1.00 0.00 H new ATOM 0 HA LYS A 74 -11.719 12.601 -3.450 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.845 11.430 -5.463 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.204 12.537 -5.464 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.002 14.059 -6.983 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.588 13.025 -6.936 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.429 11.794 -8.623 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.790 11.341 -7.617 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.392 12.451 -9.820 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.123 13.167 -8.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.197 15.094 -8.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.640 14.418 -8.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.514 14.407 -10.309 1.00 0.00 H new ATOM 1149 N ARG A 75 -9.295 13.258 -3.415 1.00 0.00 N ATOM 1150 CA ARG A 75 -7.858 13.449 -3.426 1.00 0.00 C ATOM 1151 C ARG A 75 -7.101 12.124 -3.389 1.00 0.00 C ATOM 1152 O ARG A 75 -5.875 12.101 -3.485 1.00 0.00 O ATOM 1153 CB ARG A 75 -7.471 14.300 -2.221 1.00 0.00 C ATOM 1154 CG ARG A 75 -7.296 15.776 -2.521 1.00 0.00 C ATOM 1155 CD ARG A 75 -7.587 16.081 -3.970 1.00 0.00 C ATOM 1156 NE ARG A 75 -6.615 15.462 -4.868 1.00 0.00 N ATOM 1157 CZ ARG A 75 -5.754 16.160 -5.606 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -5.717 17.483 -5.511 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -4.927 15.543 -6.436 1.00 0.00 N ATOM 0 H ARG A 75 -9.679 13.005 -2.504 1.00 0.00 H new ATOM 0 HA ARG A 75 -7.585 13.949 -4.355 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -8.236 14.187 -1.452 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -6.541 13.915 -1.804 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.961 16.360 -1.884 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.277 16.079 -2.281 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.587 15.728 -4.220 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.583 17.161 -4.121 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.595 14.444 -4.933 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.348 17.966 -4.872 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.057 18.017 -6.077 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.947 14.526 -6.513 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.270 16.085 -6.998 1.00 0.00 H new ATOM 1173 N TYR A 76 -7.827 11.028 -3.210 1.00 0.00 N ATOM 1174 CA TYR A 76 -7.205 9.715 -3.122 1.00 0.00 C ATOM 1175 C TYR A 76 -7.987 8.670 -3.892 1.00 0.00 C ATOM 1176 O TYR A 76 -9.177 8.468 -3.658 1.00 0.00 O ATOM 1177 CB TYR A 76 -7.107 9.288 -1.662 1.00 0.00 C ATOM 1178 CG TYR A 76 -6.567 10.370 -0.767 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -6.989 11.677 -0.912 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -5.638 10.083 0.210 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -6.498 12.680 -0.108 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -5.133 11.075 1.027 1.00 0.00 C ATOM 1183 CZ TYR A 76 -5.567 12.375 0.864 1.00 0.00 C ATOM 1184 OH TYR A 76 -5.070 13.371 1.675 1.00 0.00 O ATOM 0 H TYR A 76 -8.843 11.023 -3.123 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.211 9.791 -3.562 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.095 8.992 -1.309 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -6.466 8.410 -1.589 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -7.719 11.917 -1.671 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.300 9.066 0.339 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -6.838 13.697 -0.237 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.404 10.836 1.787 1.00 0.00 H new ATOM 0 HH TYR A 76 -4.426 12.988 2.306 1.00 0.00 H new ATOM 1194 N TYR A 77 -7.298 7.986 -4.788 1.00 0.00 N ATOM 1195 CA TYR A 77 -7.925 6.931 -5.572 1.00 0.00 C ATOM 1196 C TYR A 77 -6.917 5.936 -6.116 1.00 0.00 C ATOM 1197 O TYR A 77 -5.879 6.310 -6.659 1.00 0.00 O ATOM 1198 CB TYR A 77 -8.734 7.508 -6.742 1.00 0.00 C ATOM 1199 CG TYR A 77 -7.907 8.162 -7.836 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -7.303 9.395 -7.626 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -7.746 7.559 -9.086 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -6.561 10.009 -8.618 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -7.006 8.170 -10.081 1.00 0.00 C ATOM 1204 CZ TYR A 77 -6.416 9.393 -9.842 1.00 0.00 C ATOM 1205 OH TYR A 77 -5.681 10.002 -10.833 1.00 0.00 O ATOM 0 H TYR A 77 -6.310 8.139 -4.992 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.593 6.408 -4.887 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.325 6.707 -7.185 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -9.437 8.243 -6.350 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.415 9.884 -6.669 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.207 6.601 -9.278 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.097 10.967 -8.434 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.890 7.691 -11.042 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.677 9.435 -11.632 1.00 0.00 H new ATOM 1215 N VAL A 78 -7.275 4.665 -6.024 1.00 0.00 N ATOM 1216 CA VAL A 78 -6.454 3.601 -6.563 1.00 0.00 C ATOM 1217 C VAL A 78 -7.313 2.836 -7.553 1.00 0.00 C ATOM 1218 O VAL A 78 -7.461 1.616 -7.504 1.00 0.00 O ATOM 1219 CB VAL A 78 -5.937 2.679 -5.444 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -6.132 3.353 -4.096 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -6.630 1.326 -5.476 1.00 0.00 C ATOM 0 H VAL A 78 -8.135 4.347 -5.577 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.572 4.008 -7.057 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.873 2.503 -5.605 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.765 2.698 -3.305 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.579 4.292 -4.075 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -7.192 3.553 -3.939 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.242 0.699 -4.673 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.703 1.464 -5.343 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.443 0.844 -6.435 1.00 0.00 H new ATOM 1231 N ALA A 79 -7.882 3.623 -8.450 1.00 0.00 N ATOM 1232 CA ALA A 79 -8.763 3.151 -9.498 1.00 0.00 C ATOM 1233 C ALA A 79 -9.281 4.362 -10.256 1.00 0.00 C ATOM 1234 O ALA A 79 -9.219 5.478 -9.746 1.00 0.00 O ATOM 1235 CB ALA A 79 -9.906 2.335 -8.918 1.00 0.00 C ATOM 0 H ALA A 79 -7.739 4.633 -8.468 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.220 2.495 -10.178 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.554 1.992 -9.725 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.504 1.474 -8.384 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.481 2.953 -8.229 1.00 0.00 H new ATOM 1241 N GLU A 80 -9.784 4.171 -11.456 1.00 0.00 N ATOM 1242 CA GLU A 80 -10.282 5.297 -12.226 1.00 0.00 C ATOM 1243 C GLU A 80 -11.748 5.557 -11.942 1.00 0.00 C ATOM 1244 O GLU A 80 -12.609 5.424 -12.810 1.00 0.00 O ATOM 1245 CB GLU A 80 -10.039 5.093 -13.715 1.00 0.00 C ATOM 1246 CG GLU A 80 -8.898 4.136 -14.023 1.00 0.00 C ATOM 1247 CD GLU A 80 -9.273 2.685 -13.800 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -9.843 2.069 -14.724 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -8.997 2.165 -12.698 1.00 0.00 O ATOM 0 H GLU A 80 -9.860 3.264 -11.916 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.725 6.181 -11.914 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.952 4.715 -14.175 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.826 6.058 -14.175 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.586 4.271 -15.059 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.041 4.386 -13.397 1.00 0.00 H new ATOM 1256 N LYS A 81 -12.001 5.941 -10.705 1.00 0.00 N ATOM 1257 CA LYS A 81 -13.343 6.249 -10.238 1.00 0.00 C ATOM 1258 C LYS A 81 -13.384 6.188 -8.717 1.00 0.00 C ATOM 1259 O LYS A 81 -14.242 6.794 -8.076 1.00 0.00 O ATOM 1260 CB LYS A 81 -14.354 5.273 -10.847 1.00 0.00 C ATOM 1261 CG LYS A 81 -15.663 5.190 -10.081 1.00 0.00 C ATOM 1262 CD LYS A 81 -15.680 3.986 -9.157 1.00 0.00 C ATOM 1263 CE LYS A 81 -14.762 4.193 -7.967 1.00 0.00 C ATOM 1264 NZ LYS A 81 -14.996 3.182 -6.901 1.00 0.00 N ATOM 0 H LYS A 81 -11.280 6.049 -9.992 1.00 0.00 H new ATOM 0 HA LYS A 81 -13.610 7.257 -10.555 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -14.563 5.574 -11.874 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.906 4.280 -10.891 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.806 6.101 -9.499 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -16.495 5.126 -10.782 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -16.697 3.807 -8.808 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -15.371 3.098 -9.708 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.724 4.140 -8.296 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.916 5.192 -7.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.106 2.997 -6.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.705 3.542 -6.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.341 2.299 -7.329 1.00 0.00 H new ATOM 1278 N TYR A 82 -12.432 5.450 -8.154 1.00 0.00 N ATOM 1279 CA TYR A 82 -12.321 5.286 -6.707 1.00 0.00 C ATOM 1280 C TYR A 82 -11.437 6.374 -6.104 1.00 0.00 C ATOM 1281 O TYR A 82 -10.300 6.105 -5.722 1.00 0.00 O ATOM 1282 CB TYR A 82 -11.718 3.917 -6.370 1.00 0.00 C ATOM 1283 CG TYR A 82 -12.365 2.742 -7.075 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -12.411 2.666 -8.465 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -12.923 1.700 -6.345 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -12.997 1.587 -9.100 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -13.507 0.619 -6.973 1.00 0.00 C ATOM 1288 CZ TYR A 82 -13.544 0.567 -8.350 1.00 0.00 C ATOM 1289 OH TYR A 82 -14.126 -0.510 -8.980 1.00 0.00 O ATOM 0 H TYR A 82 -11.718 4.951 -8.685 1.00 0.00 H new ATOM 0 HA TYR A 82 -13.324 5.362 -6.287 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -10.657 3.932 -6.620 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -11.790 3.760 -5.294 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -11.982 3.462 -9.056 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -12.899 1.737 -5.266 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -13.026 1.543 -10.179 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -13.933 -0.183 -6.388 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.840 -1.339 -8.542 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.952 7.596 -6.011 1.00 0.00 N ATOM 1300 CA VAL A 83 -11.184 8.693 -5.448 1.00 0.00 C ATOM 1301 C VAL A 83 -11.862 9.270 -4.218 1.00 0.00 C ATOM 1302 O VAL A 83 -13.087 9.382 -4.161 1.00 0.00 O ATOM 1303 CB VAL A 83 -10.947 9.812 -6.472 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -9.832 10.723 -5.989 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -10.619 9.229 -7.839 1.00 0.00 C ATOM 0 H VAL A 83 -12.892 7.847 -6.317 1.00 0.00 H new ATOM 0 HA VAL A 83 -10.218 8.277 -5.160 1.00 0.00 H new ATOM 0 HB VAL A 83 -11.860 10.400 -6.572 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.668 11.515 -6.719 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -10.111 11.164 -5.032 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.916 10.145 -5.869 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.455 10.039 -8.550 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.718 8.620 -7.768 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -11.449 8.610 -8.179 1.00 0.00 H new ATOM 1315 N PHE A 84 -11.053 9.622 -3.229 1.00 0.00 N ATOM 1316 CA PHE A 84 -11.568 10.176 -1.987 1.00 0.00 C ATOM 1317 C PHE A 84 -10.588 11.170 -1.374 1.00 0.00 C ATOM 1318 O PHE A 84 -9.419 11.202 -1.741 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.867 9.047 -1.004 1.00 0.00 C ATOM 1320 CG PHE A 84 -12.332 7.788 -1.678 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -11.462 7.046 -2.460 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -13.639 7.351 -1.536 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -11.886 5.889 -3.086 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -14.067 6.195 -2.160 1.00 0.00 C ATOM 1325 CZ PHE A 84 -13.190 5.464 -2.937 1.00 0.00 C ATOM 0 H PHE A 84 -10.037 9.533 -3.263 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.489 10.715 -2.208 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.970 8.831 -0.423 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.630 9.379 -0.300 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.441 7.375 -2.582 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -14.330 7.920 -0.932 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -11.197 5.318 -3.691 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -15.088 5.863 -2.040 1.00 0.00 H new ATOM 0 HZ PHE A 84 -13.524 4.561 -3.427 1.00 0.00 H new ATOM 1335 N ASP A 85 -11.069 11.975 -0.435 1.00 0.00 N ATOM 1336 CA ASP A 85 -10.228 12.960 0.228 1.00 0.00 C ATOM 1337 C ASP A 85 -9.389 12.332 1.342 1.00 0.00 C ATOM 1338 O ASP A 85 -8.869 13.039 2.203 1.00 0.00 O ATOM 1339 CB ASP A 85 -11.086 14.090 0.798 1.00 0.00 C ATOM 1340 CG ASP A 85 -10.978 14.194 2.306 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -11.056 13.145 2.980 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -10.816 15.323 2.813 1.00 0.00 O ATOM 0 H ASP A 85 -12.038 11.964 -0.116 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.544 13.363 -0.519 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.782 15.035 0.349 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -12.128 13.926 0.522 1.00 0.00 H new ATOM 1347 N SER A 86 -9.263 11.007 1.327 1.00 0.00 N ATOM 1348 CA SER A 86 -8.488 10.311 2.352 1.00 0.00 C ATOM 1349 C SER A 86 -8.175 8.872 1.942 1.00 0.00 C ATOM 1350 O SER A 86 -9.079 8.050 1.766 1.00 0.00 O ATOM 1351 CB SER A 86 -9.246 10.317 3.680 1.00 0.00 C ATOM 1352 OG SER A 86 -9.131 11.572 4.327 1.00 0.00 O ATOM 0 H SER A 86 -9.683 10.399 0.624 1.00 0.00 H new ATOM 0 HA SER A 86 -7.543 10.842 2.468 1.00 0.00 H new ATOM 0 HB2 SER A 86 -10.297 10.090 3.503 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.856 9.533 4.329 1.00 0.00 H new ATOM 0 HG SER A 86 -8.725 12.220 3.714 1.00 0.00 H new ATOM 1358 N ILE A 87 -6.888 8.563 1.810 1.00 0.00 N ATOM 1359 CA ILE A 87 -6.484 7.216 1.442 1.00 0.00 C ATOM 1360 C ILE A 87 -7.006 6.227 2.471 1.00 0.00 C ATOM 1361 O ILE A 87 -7.435 5.129 2.131 1.00 0.00 O ATOM 1362 CB ILE A 87 -4.956 7.074 1.318 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -4.527 7.190 -0.146 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.507 5.744 1.894 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -3.697 8.419 -0.443 1.00 0.00 C ATOM 0 H ILE A 87 -6.119 9.219 1.951 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.912 7.004 0.462 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.484 7.878 1.882 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -3.956 6.303 -0.419 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.417 7.203 -0.776 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.425 5.654 1.801 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.787 5.690 2.946 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.987 4.931 1.349 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.431 8.432 -1.500 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -4.272 9.313 -0.203 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.789 8.399 0.159 1.00 0.00 H new ATOM 1377 N PRO A 88 -6.992 6.618 3.753 1.00 0.00 N ATOM 1378 CA PRO A 88 -7.494 5.771 4.839 1.00 0.00 C ATOM 1379 C PRO A 88 -8.955 5.414 4.607 1.00 0.00 C ATOM 1380 O PRO A 88 -9.354 4.244 4.677 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.356 6.658 6.081 1.00 0.00 C ATOM 1382 CG PRO A 88 -6.344 7.688 5.708 1.00 0.00 C ATOM 1383 CD PRO A 88 -6.509 7.917 4.235 1.00 0.00 C ATOM 0 HA PRO A 88 -6.954 4.828 4.924 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.308 7.118 6.346 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.030 6.079 6.945 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -6.503 8.611 6.266 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -5.335 7.345 5.939 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -7.222 8.715 4.028 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -5.568 8.199 3.762 1.00 0.00 H new ATOM 1391 N LEU A 89 -9.743 6.432 4.275 1.00 0.00 N ATOM 1392 CA LEU A 89 -11.146 6.224 3.979 1.00 0.00 C ATOM 1393 C LEU A 89 -11.229 5.460 2.687 1.00 0.00 C ATOM 1394 O LEU A 89 -11.981 4.494 2.558 1.00 0.00 O ATOM 1395 CB LEU A 89 -11.889 7.551 3.861 1.00 0.00 C ATOM 1396 CG LEU A 89 -12.654 7.757 2.550 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.692 8.046 1.408 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -13.507 6.539 2.232 1.00 0.00 C ATOM 0 H LEU A 89 -9.432 7.401 4.206 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.617 5.666 4.788 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.593 7.630 4.690 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.170 8.363 3.975 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.313 8.617 2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.255 8.189 0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.124 8.949 1.631 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.007 7.207 1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -14.043 6.704 1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.867 5.662 2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.224 6.376 3.037 1.00 0.00 H new ATOM 1410 N LEU A 90 -10.394 5.871 1.747 1.00 0.00 N ATOM 1411 CA LEU A 90 -10.318 5.191 0.483 1.00 0.00 C ATOM 1412 C LEU A 90 -9.859 3.771 0.773 1.00 0.00 C ATOM 1413 O LEU A 90 -10.349 2.800 0.185 1.00 0.00 O ATOM 1414 CB LEU A 90 -9.355 5.921 -0.449 1.00 0.00 C ATOM 1415 CG LEU A 90 -8.457 5.023 -1.279 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.363 5.545 -2.703 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -7.083 4.935 -0.640 1.00 0.00 C ATOM 0 H LEU A 90 -9.766 6.669 1.843 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.284 5.172 -0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.934 6.552 -1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.728 6.584 0.148 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.885 4.021 -1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.716 4.892 -3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.357 5.565 -3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.949 6.553 -2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.443 4.289 -1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.643 5.931 -0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.175 4.522 0.365 1.00 0.00 H new ATOM 1429 N ILE A 91 -8.960 3.661 1.758 1.00 0.00 N ATOM 1430 CA ILE A 91 -8.482 2.367 2.210 1.00 0.00 C ATOM 1431 C ILE A 91 -9.689 1.602 2.702 1.00 0.00 C ATOM 1432 O ILE A 91 -9.919 0.455 2.324 1.00 0.00 O ATOM 1433 CB ILE A 91 -7.484 2.487 3.386 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -6.061 2.789 2.905 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -7.496 1.213 4.221 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -5.746 2.284 1.517 1.00 0.00 C ATOM 0 H ILE A 91 -8.555 4.456 2.251 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.968 1.874 1.385 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.807 3.326 4.002 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.905 3.867 2.929 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.353 2.348 3.607 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.789 1.311 5.045 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -8.497 1.049 4.619 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -7.210 0.366 3.597 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.719 2.542 1.260 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.866 1.201 1.488 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.426 2.744 0.800 1.00 0.00 H new ATOM 1448 N GLN A 92 -10.482 2.283 3.532 1.00 0.00 N ATOM 1449 CA GLN A 92 -11.703 1.705 4.061 1.00 0.00 C ATOM 1450 C GLN A 92 -12.669 1.392 2.926 1.00 0.00 C ATOM 1451 O GLN A 92 -13.358 0.371 2.933 1.00 0.00 O ATOM 1452 CB GLN A 92 -12.358 2.662 5.058 1.00 0.00 C ATOM 1453 CG GLN A 92 -11.490 2.967 6.269 1.00 0.00 C ATOM 1454 CD GLN A 92 -12.275 3.589 7.407 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -13.419 4.181 7.082 1.00 0.00 O flip ATOM 1456 NE2 GLN A 92 -11.860 3.537 8.564 1.00 0.00 N flip ATOM 0 H GLN A 92 -10.294 3.235 3.848 1.00 0.00 H new ATOM 0 HA GLN A 92 -11.453 0.779 4.579 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -12.598 3.596 4.549 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.301 2.232 5.396 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -11.021 2.046 6.616 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.687 3.642 5.975 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -10.975 3.072 8.768 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -12.400 3.959 9.319 1.00 0.00 H new ATOM 1465 N TYR A 93 -12.718 2.303 1.959 1.00 0.00 N ATOM 1466 CA TYR A 93 -13.601 2.172 0.805 1.00 0.00 C ATOM 1467 C TYR A 93 -13.179 1.048 -0.127 1.00 0.00 C ATOM 1468 O TYR A 93 -14.020 0.372 -0.721 1.00 0.00 O ATOM 1469 CB TYR A 93 -13.656 3.482 0.022 1.00 0.00 C ATOM 1470 CG TYR A 93 -14.442 3.373 -1.264 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -13.918 2.707 -2.370 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -15.710 3.928 -1.372 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -14.640 2.602 -3.544 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -16.437 3.826 -2.543 1.00 0.00 C ATOM 1475 CZ TYR A 93 -15.898 3.162 -3.624 1.00 0.00 C ATOM 1476 OH TYR A 93 -16.619 3.059 -4.792 1.00 0.00 O ATOM 0 H TYR A 93 -12.149 3.150 1.953 1.00 0.00 H new ATOM 0 HA TYR A 93 -14.589 1.929 1.196 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -14.102 4.254 0.649 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -12.640 3.804 -0.207 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -12.934 2.267 -2.309 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -16.136 4.448 -0.527 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -14.221 2.084 -4.394 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -17.422 4.264 -2.611 1.00 0.00 H new ATOM 0 HH TYR A 93 -16.779 2.114 -4.996 1.00 0.00 H new ATOM 1486 N HIS A 94 -11.877 0.873 -0.281 1.00 0.00 N ATOM 1487 CA HIS A 94 -11.354 -0.148 -1.181 1.00 0.00 C ATOM 1488 C HIS A 94 -11.951 -1.522 -0.885 1.00 0.00 C ATOM 1489 O HIS A 94 -12.003 -2.378 -1.763 1.00 0.00 O ATOM 1490 CB HIS A 94 -9.830 -0.200 -1.098 1.00 0.00 C ATOM 1491 CG HIS A 94 -9.163 0.839 -1.937 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -9.063 0.957 -3.281 1.00 0.00 N flip ATOM 1493 CD2 HIS A 94 -8.481 1.909 -1.406 1.00 0.00 C flip ATOM 1494 CE1 HIS A 94 -8.323 2.083 -3.538 1.00 0.00 C flip ATOM 1495 NE2 HIS A 94 -7.981 2.639 -2.390 1.00 0.00 N flip ATOM 0 H HIS A 94 -11.164 1.420 0.201 1.00 0.00 H new ATOM 0 HA HIS A 94 -11.645 0.126 -2.195 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.524 -0.072 -0.060 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -9.488 -1.186 -1.412 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -9.464 0.326 -3.975 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -8.371 2.120 -0.353 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -8.063 2.454 -4.518 1.00 0.00 H new ATOM 1504 N GLN A 95 -12.417 -1.724 0.343 1.00 0.00 N ATOM 1505 CA GLN A 95 -13.023 -2.999 0.719 1.00 0.00 C ATOM 1506 C GLN A 95 -14.467 -2.802 1.150 1.00 0.00 C ATOM 1507 O GLN A 95 -15.334 -3.629 0.863 1.00 0.00 O ATOM 1508 CB GLN A 95 -12.228 -3.672 1.839 1.00 0.00 C ATOM 1509 CG GLN A 95 -12.066 -2.807 3.075 1.00 0.00 C ATOM 1510 CD GLN A 95 -11.267 -1.551 2.800 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -11.280 -0.611 3.592 1.00 0.00 O ATOM 1512 NE2 GLN A 95 -10.566 -1.531 1.675 1.00 0.00 N ATOM 0 H GLN A 95 -12.388 -1.029 1.089 1.00 0.00 H new ATOM 0 HA GLN A 95 -13.005 -3.648 -0.156 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -12.726 -4.601 2.119 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.241 -3.940 1.462 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -13.050 -2.532 3.454 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -11.573 -3.384 3.857 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -10.586 -2.335 1.048 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.007 -0.712 1.437 1.00 0.00 H new ATOM 1521 N TYR A 96 -14.717 -1.699 1.833 1.00 0.00 N ATOM 1522 CA TYR A 96 -16.058 -1.377 2.304 1.00 0.00 C ATOM 1523 C TYR A 96 -17.017 -1.230 1.126 1.00 0.00 C ATOM 1524 O TYR A 96 -18.229 -1.111 1.306 1.00 0.00 O ATOM 1525 CB TYR A 96 -16.039 -0.087 3.127 1.00 0.00 C ATOM 1526 CG TYR A 96 -17.387 0.592 3.222 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -18.317 0.200 4.176 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -17.728 1.625 2.359 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -19.550 0.816 4.267 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -18.959 2.248 2.444 1.00 0.00 C ATOM 1531 CZ TYR A 96 -19.866 1.841 3.399 1.00 0.00 C ATOM 1532 OH TYR A 96 -21.092 2.458 3.487 1.00 0.00 O ATOM 0 H TYR A 96 -14.008 -1.007 2.076 1.00 0.00 H new ATOM 0 HA TYR A 96 -16.404 -2.194 2.938 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -15.684 -0.313 4.132 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -15.323 0.606 2.684 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -18.072 -0.600 4.859 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -17.020 1.947 1.609 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -20.263 0.497 5.013 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -19.209 3.050 1.765 1.00 0.00 H new ATOM 0 HH TYR A 96 -21.155 3.159 2.805 1.00 0.00 H new ATOM 1542 N ASN A 97 -16.459 -1.240 -0.080 1.00 0.00 N ATOM 1543 CA ASN A 97 -17.249 -1.113 -1.293 1.00 0.00 C ATOM 1544 C ASN A 97 -16.840 -2.162 -2.320 1.00 0.00 C ATOM 1545 O ASN A 97 -16.211 -3.165 -1.982 1.00 0.00 O ATOM 1546 CB ASN A 97 -17.092 0.290 -1.887 1.00 0.00 C ATOM 1547 CG ASN A 97 -16.180 0.306 -3.098 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -16.621 0.564 -4.218 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -14.900 0.030 -2.878 1.00 0.00 N ATOM 0 H ASN A 97 -15.456 -1.336 -0.241 1.00 0.00 H new ATOM 0 HA ASN A 97 -18.295 -1.273 -1.033 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -18.072 0.674 -2.169 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -16.693 0.961 -1.126 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -14.238 0.026 -3.654 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -14.578 -0.178 -1.933 1.00 0.00 H new ATOM 1556 N GLY A 98 -17.200 -1.924 -3.576 1.00 0.00 N ATOM 1557 CA GLY A 98 -16.860 -2.858 -4.635 1.00 0.00 C ATOM 1558 C GLY A 98 -15.439 -3.372 -4.519 1.00 0.00 C ATOM 1559 O GLY A 98 -15.211 -4.482 -4.035 1.00 0.00 O ATOM 0 H GLY A 98 -17.721 -1.102 -3.881 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -17.551 -3.700 -4.608 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -16.989 -2.370 -5.601 1.00 0.00 H new ATOM 1563 N GLY A 99 -14.481 -2.563 -4.961 1.00 0.00 N ATOM 1564 CA GLY A 99 -13.087 -2.960 -4.892 1.00 0.00 C ATOM 1565 C GLY A 99 -12.459 -3.121 -6.263 1.00 0.00 C ATOM 1566 O GLY A 99 -12.788 -2.388 -7.195 1.00 0.00 O ATOM 0 H GLY A 99 -14.645 -1.641 -5.365 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.528 -2.215 -4.326 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.007 -3.901 -4.347 1.00 0.00 H new ATOM 1570 N GLY A 100 -11.551 -4.083 -6.384 1.00 0.00 N ATOM 1571 CA GLY A 100 -10.887 -4.322 -7.653 1.00 0.00 C ATOM 1572 C GLY A 100 -9.449 -4.771 -7.478 1.00 0.00 C ATOM 1573 O GLY A 100 -8.784 -5.140 -8.446 1.00 0.00 O ATOM 0 H GLY A 100 -11.263 -4.702 -5.626 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.436 -5.081 -8.210 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.910 -3.410 -8.249 1.00 0.00 H new ATOM 1577 N LEU A 101 -8.967 -4.735 -6.240 1.00 0.00 N ATOM 1578 CA LEU A 101 -7.601 -5.137 -5.936 1.00 0.00 C ATOM 1579 C LEU A 101 -7.582 -6.361 -5.026 1.00 0.00 C ATOM 1580 O LEU A 101 -8.617 -6.765 -4.496 1.00 0.00 O ATOM 1581 CB LEU A 101 -6.852 -3.983 -5.270 1.00 0.00 C ATOM 1582 CG LEU A 101 -7.685 -2.717 -5.048 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -7.782 -2.394 -3.565 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -7.088 -1.546 -5.812 1.00 0.00 C ATOM 0 H LEU A 101 -9.506 -4.430 -5.429 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.106 -5.397 -6.872 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.471 -4.324 -4.307 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.987 -3.729 -5.883 1.00 0.00 H new ATOM 0 HG LEU A 101 -8.691 -2.897 -5.426 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -8.377 -1.491 -3.427 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -8.256 -3.225 -3.042 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -6.782 -2.234 -3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.693 -0.655 -5.643 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -6.071 -1.366 -5.465 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.072 -1.777 -6.877 1.00 0.00 H new ATOM 1596 N VAL A 102 -6.403 -6.945 -4.844 1.00 0.00 N ATOM 1597 CA VAL A 102 -6.259 -8.120 -3.993 1.00 0.00 C ATOM 1598 C VAL A 102 -7.186 -8.026 -2.788 1.00 0.00 C ATOM 1599 O VAL A 102 -6.807 -7.503 -1.739 1.00 0.00 O ATOM 1600 CB VAL A 102 -4.810 -8.290 -3.500 1.00 0.00 C ATOM 1601 CG1 VAL A 102 -4.344 -7.042 -2.763 1.00 0.00 C ATOM 1602 CG2 VAL A 102 -4.690 -9.518 -2.612 1.00 0.00 C ATOM 0 H VAL A 102 -5.535 -6.625 -5.273 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.526 -8.987 -4.597 1.00 0.00 H new ATOM 0 HB VAL A 102 -4.165 -8.432 -4.367 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -3.318 -7.182 -2.423 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -4.390 -6.185 -3.434 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -4.990 -6.864 -1.903 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -3.659 -9.622 -2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -5.347 -9.408 -1.749 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.978 -10.405 -3.177 1.00 0.00 H new ATOM 1612 N THR A 103 -8.404 -8.527 -2.948 1.00 0.00 N ATOM 1613 CA THR A 103 -9.391 -8.490 -1.876 1.00 0.00 C ATOM 1614 C THR A 103 -9.454 -7.101 -1.260 1.00 0.00 C ATOM 1615 O THR A 103 -9.794 -6.940 -0.088 1.00 0.00 O ATOM 1616 CB THR A 103 -9.060 -9.530 -0.804 1.00 0.00 C ATOM 1617 OG1 THR A 103 -7.815 -9.241 -0.194 1.00 0.00 O ATOM 1618 CG2 THR A 103 -8.989 -10.943 -1.343 1.00 0.00 C ATOM 0 H THR A 103 -8.732 -8.964 -3.809 1.00 0.00 H new ATOM 0 HA THR A 103 -10.366 -8.728 -2.300 1.00 0.00 H new ATOM 0 HB THR A 103 -9.876 -9.473 -0.084 1.00 0.00 H new ATOM 0 HG1 THR A 103 -7.510 -8.354 -0.478 1.00 0.00 H new ATOM 0 HG21 THR A 103 -8.751 -11.630 -0.531 1.00 0.00 H new ATOM 0 HG22 THR A 103 -9.951 -11.215 -1.778 1.00 0.00 H new ATOM 0 HG23 THR A 103 -8.215 -11.002 -2.108 1.00 0.00 H new ATOM 1626 N ARG A 104 -9.130 -6.102 -2.070 1.00 0.00 N ATOM 1627 CA ARG A 104 -9.149 -4.711 -1.631 1.00 0.00 C ATOM 1628 C ARG A 104 -8.551 -4.564 -0.235 1.00 0.00 C ATOM 1629 O ARG A 104 -8.340 -5.554 0.466 1.00 0.00 O ATOM 1630 CB ARG A 104 -10.582 -4.180 -1.643 1.00 0.00 C ATOM 1631 CG ARG A 104 -11.637 -5.273 -1.548 1.00 0.00 C ATOM 1632 CD ARG A 104 -12.924 -4.872 -2.253 1.00 0.00 C ATOM 1633 NE ARG A 104 -14.073 -4.908 -1.352 1.00 0.00 N ATOM 1634 CZ ARG A 104 -14.380 -5.953 -0.591 1.00 0.00 C ATOM 1635 NH1 ARG A 104 -13.627 -7.044 -0.624 1.00 0.00 N ATOM 1636 NH2 ARG A 104 -15.440 -5.908 0.203 1.00 0.00 N ATOM 0 H ARG A 104 -8.849 -6.230 -3.042 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.541 -4.129 -2.323 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -10.711 -3.488 -0.811 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.742 -3.611 -2.559 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.251 -6.192 -1.989 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -11.847 -5.487 -0.500 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -12.816 -3.868 -2.663 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -13.101 -5.542 -3.094 1.00 0.00 H new ATOM 0 HE ARG A 104 -14.673 -4.085 -1.304 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -12.811 -7.082 -1.234 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -13.864 -7.845 -0.039 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -16.021 -5.070 0.230 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -15.674 -6.711 0.787 1.00 0.00 H new ATOM 1650 N LEU A 105 -8.279 -3.326 0.169 1.00 0.00 N ATOM 1651 CA LEU A 105 -7.712 -3.070 1.487 1.00 0.00 C ATOM 1652 C LEU A 105 -8.597 -3.690 2.565 1.00 0.00 C ATOM 1653 O LEU A 105 -9.788 -3.397 2.643 1.00 0.00 O ATOM 1654 CB LEU A 105 -7.565 -1.564 1.731 1.00 0.00 C ATOM 1655 CG LEU A 105 -6.522 -0.857 0.865 1.00 0.00 C ATOM 1656 CD1 LEU A 105 -5.171 -0.829 1.563 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -6.406 -1.536 -0.489 1.00 0.00 C ATOM 0 H LEU A 105 -8.441 -2.491 -0.394 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.722 -3.524 1.531 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.532 -1.090 1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.309 -1.406 2.779 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.848 0.172 0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.444 -0.321 0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.261 -0.296 2.510 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.838 -1.850 1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.659 -1.020 -1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.106 -2.575 -0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.370 -1.502 -0.997 1.00 0.00 H new ATOM 1669 N ARG A 106 -8.018 -4.565 3.381 1.00 0.00 N ATOM 1670 CA ARG A 106 -8.773 -5.235 4.428 1.00 0.00 C ATOM 1671 C ARG A 106 -8.167 -5.002 5.811 1.00 0.00 C ATOM 1672 O ARG A 106 -8.825 -4.475 6.707 1.00 0.00 O ATOM 1673 CB ARG A 106 -8.838 -6.734 4.137 1.00 0.00 C ATOM 1674 CG ARG A 106 -10.241 -7.237 3.838 1.00 0.00 C ATOM 1675 CD ARG A 106 -10.495 -8.591 4.483 1.00 0.00 C ATOM 1676 NE ARG A 106 -9.747 -9.659 3.826 1.00 0.00 N ATOM 1677 CZ ARG A 106 -10.240 -10.875 3.604 1.00 0.00 C ATOM 1678 NH1 ARG A 106 -11.475 -11.172 3.985 1.00 0.00 N ATOM 1679 NH2 ARG A 106 -9.496 -11.793 3.002 1.00 0.00 N ATOM 0 H ARG A 106 -7.033 -4.824 3.336 1.00 0.00 H new ATOM 0 HA ARG A 106 -9.778 -4.812 4.434 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -8.192 -6.959 3.288 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -8.441 -7.279 4.993 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -10.973 -6.516 4.202 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -10.379 -7.314 2.760 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -10.217 -8.549 5.536 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -11.561 -8.817 4.443 1.00 0.00 H new ATOM 0 HE ARG A 106 -8.794 -9.462 3.520 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -12.049 -10.468 4.449 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -11.851 -12.105 3.814 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -8.545 -11.567 2.709 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -9.874 -12.725 2.832 1.00 0.00 H new ATOM 1693 N TYR A 107 -6.916 -5.415 5.978 1.00 0.00 N ATOM 1694 CA TYR A 107 -6.221 -5.273 7.250 1.00 0.00 C ATOM 1695 C TYR A 107 -5.013 -4.355 7.121 1.00 0.00 C ATOM 1696 O TYR A 107 -4.209 -4.493 6.199 1.00 0.00 O ATOM 1697 CB TYR A 107 -5.773 -6.645 7.755 1.00 0.00 C ATOM 1698 CG TYR A 107 -5.465 -6.678 9.234 1.00 0.00 C ATOM 1699 CD1 TYR A 107 -6.211 -5.929 10.136 1.00 0.00 C ATOM 1700 CD2 TYR A 107 -4.427 -7.460 9.730 1.00 0.00 C ATOM 1701 CE1 TYR A 107 -5.932 -5.958 11.490 1.00 0.00 C ATOM 1702 CE2 TYR A 107 -4.144 -7.493 11.082 1.00 0.00 C ATOM 1703 CZ TYR A 107 -4.899 -6.741 11.958 1.00 0.00 C ATOM 1704 OH TYR A 107 -4.619 -6.772 13.304 1.00 0.00 O ATOM 0 H TYR A 107 -6.360 -5.853 5.243 1.00 0.00 H new ATOM 0 HA TYR A 107 -6.914 -4.827 7.964 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -6.554 -7.374 7.539 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -4.886 -6.954 7.201 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.022 -5.314 9.774 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -3.833 -8.050 9.048 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -6.521 -5.370 12.178 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -3.335 -8.105 11.452 1.00 0.00 H new ATOM 0 HH TYR A 107 -3.863 -7.373 13.467 1.00 0.00 H new ATOM 1714 N PRO A 108 -4.873 -3.399 8.048 1.00 0.00 N ATOM 1715 CA PRO A 108 -3.774 -2.451 8.053 1.00 0.00 C ATOM 1716 C PRO A 108 -2.611 -2.906 8.929 1.00 0.00 C ATOM 1717 O PRO A 108 -2.481 -2.477 10.076 1.00 0.00 O ATOM 1718 CB PRO A 108 -4.437 -1.214 8.641 1.00 0.00 C ATOM 1719 CG PRO A 108 -5.463 -1.735 9.593 1.00 0.00 C ATOM 1720 CD PRO A 108 -5.786 -3.155 9.173 1.00 0.00 C ATOM 0 HA PRO A 108 -3.331 -2.308 7.067 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -3.710 -0.583 9.152 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -4.896 -0.605 7.862 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.085 -1.713 10.615 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -6.359 -1.114 9.571 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -5.618 -3.861 9.986 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -6.829 -3.257 8.872 1.00 0.00 H new ATOM 1728 N VAL A 109 -1.770 -3.778 8.385 1.00 0.00 N ATOM 1729 CA VAL A 109 -0.624 -4.291 9.120 1.00 0.00 C ATOM 1730 C VAL A 109 0.577 -3.360 8.989 1.00 0.00 C ATOM 1731 O VAL A 109 1.505 -3.633 8.227 1.00 0.00 O ATOM 1732 CB VAL A 109 -0.226 -5.696 8.632 1.00 0.00 C ATOM 1733 CG1 VAL A 109 0.197 -5.656 7.173 1.00 0.00 C ATOM 1734 CG2 VAL A 109 0.885 -6.267 9.501 1.00 0.00 C ATOM 0 H VAL A 109 -1.862 -4.144 7.437 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.922 -4.349 10.167 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.095 -6.349 8.716 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.474 -6.658 6.847 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.631 -5.292 6.564 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.051 -4.988 7.060 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.154 -7.260 9.142 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.757 -5.615 9.452 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.541 -6.335 10.533 1.00 0.00 H new ATOM 1744 N CYS A 110 0.553 -2.261 9.734 1.00 0.00 N ATOM 1745 CA CYS A 110 1.640 -1.291 9.702 1.00 0.00 C ATOM 1746 C CYS A 110 2.814 -1.761 10.554 1.00 0.00 C ATOM 1747 O CYS A 110 3.074 -1.215 11.626 1.00 0.00 O ATOM 1748 CB CYS A 110 1.152 0.071 10.194 1.00 0.00 C ATOM 1749 SG CYS A 110 0.406 0.037 11.841 1.00 0.00 S ATOM 0 H CYS A 110 -0.209 -2.020 10.368 1.00 0.00 H new ATOM 0 HA CYS A 110 1.978 -1.197 8.670 1.00 0.00 H new ATOM 0 HB2 CYS A 110 1.992 0.765 10.202 1.00 0.00 H new ATOM 0 HB3 CYS A 110 0.423 0.462 9.484 1.00 0.00 H new ATOM 0 HG CYS A 110 1.192 -0.596 12.660 1.00 0.00 H new ATOM 1755 N GLY A 111 3.521 -2.777 10.070 1.00 0.00 N ATOM 1756 CA GLY A 111 4.659 -3.304 10.798 1.00 0.00 C ATOM 1757 C GLY A 111 5.014 -4.716 10.378 1.00 0.00 C ATOM 1758 O GLY A 111 4.138 -5.601 10.469 1.00 0.00 O ATOM 0 H GLY A 111 3.325 -3.245 9.185 1.00 0.00 H new ATOM 0 HA2 GLY A 111 5.520 -2.654 10.640 1.00 0.00 H new ATOM 0 HA3 GLY A 111 4.441 -3.290 11.866 1.00 0.00 H new TER 1762 GLY A 111 HETATM 1763 C ACE B 118 5.328 1.374 -11.890 1.00 0.00 C HETATM 1764 O ACE B 118 4.511 1.247 -10.978 1.00 0.00 O HETATM 1765 CH3 ACE B 118 5.532 0.273 -12.901 1.00 0.00 C HETATM 0 H1 ACE B 118 5.305 0.649 -13.899 1.00 0.00 H new HETATM 0 H2 ACE B 118 6.568 -0.065 -12.867 1.00 0.00 H new HETATM 0 H3 ACE B 118 4.870 -0.562 -12.669 1.00 0.00 H new ATOM 1769 N ALA B 119 6.074 2.462 -12.050 1.00 0.00 N ATOM 1770 CA ALA B 119 5.975 3.596 -11.140 1.00 0.00 C ATOM 1771 C ALA B 119 4.533 4.083 -11.025 1.00 0.00 C ATOM 1772 O ALA B 119 4.201 4.867 -10.136 1.00 0.00 O ATOM 1773 CB ALA B 119 6.879 4.727 -11.606 1.00 0.00 C ATOM 0 H ALA B 119 6.753 2.582 -12.801 1.00 0.00 H new ATOM 0 HA ALA B 119 6.301 3.268 -10.153 1.00 0.00 H new ATOM 0 HB1 ALA B 119 6.795 5.567 -10.917 1.00 0.00 H new ATOM 0 HB2 ALA B 119 7.912 4.380 -11.631 1.00 0.00 H new ATOM 0 HB3 ALA B 119 6.579 5.045 -12.604 1.00 0.00 H new ATOM 1779 N ASP B 120 3.682 3.611 -11.929 1.00 0.00 N ATOM 1780 CA ASP B 120 2.276 3.997 -11.929 1.00 0.00 C ATOM 1781 C ASP B 120 1.497 3.217 -10.874 1.00 0.00 C ATOM 1782 O ASP B 120 0.345 3.537 -10.577 1.00 0.00 O ATOM 1783 CB ASP B 120 1.661 3.764 -13.311 1.00 0.00 C ATOM 1784 CG ASP B 120 1.431 5.058 -14.067 1.00 0.00 C ATOM 1785 OD1 ASP B 120 0.478 5.787 -13.720 1.00 0.00 O ATOM 1786 OD2 ASP B 120 2.204 5.341 -15.006 1.00 0.00 O ATOM 0 H ASP B 120 3.941 2.961 -12.671 1.00 0.00 H new ATOM 0 HA ASP B 120 2.217 5.058 -11.687 1.00 0.00 H new ATOM 0 HB2 ASP B 120 2.318 3.118 -13.894 1.00 0.00 H new ATOM 0 HB3 ASP B 120 0.713 3.238 -13.200 1.00 0.00 H new HETATM 1791 N PTR B 121 2.131 2.195 -10.312 1.00 0.00 N HETATM 1792 CA PTR B 121 1.496 1.371 -9.290 1.00 0.00 C HETATM 1793 C PTR B 121 0.319 0.595 -9.873 1.00 0.00 C HETATM 1794 O PTR B 121 -0.404 1.098 -10.732 1.00 0.00 O HETATM 1795 CB PTR B 121 1.019 2.243 -8.129 1.00 0.00 C HETATM 1796 CG PTR B 121 2.060 2.442 -7.052 1.00 0.00 C HETATM 1797 CD1 PTR B 121 2.103 1.611 -5.940 1.00 0.00 C HETATM 1798 CD2 PTR B 121 2.999 3.462 -7.147 1.00 0.00 C HETATM 1799 CE1 PTR B 121 3.053 1.789 -4.953 1.00 0.00 C HETATM 1800 CE2 PTR B 121 3.953 3.647 -6.164 1.00 0.00 C HETATM 1801 CZ PTR B 121 3.976 2.809 -5.070 1.00 0.00 C HETATM 1802 OH PTR B 121 4.925 2.990 -4.089 1.00 0.00 O HETATM 1803 P PTR B 121 6.218 3.712 -4.720 1.00 0.00 P HETATM 1804 O1P PTR B 121 7.531 3.546 -3.804 1.00 0.00 O HETATM 1805 O2P PTR B 121 5.838 5.126 -4.936 1.00 0.00 O HETATM 1806 O3P PTR B 121 6.531 2.937 -6.097 1.00 0.00 O HETATM 0 HE2 PTR B 121 4.683 4.451 -6.254 1.00 0.00 H new HETATM 0 HE1 PTR B 121 3.074 1.128 -4.087 1.00 0.00 H new HETATM 0 HD2 PTR B 121 2.983 4.127 -8.011 1.00 0.00 H new HETATM 0 HD1 PTR B 121 1.375 0.805 -5.845 1.00 0.00 H new HETATM 0 HB3 PTR B 121 0.719 3.217 -8.517 1.00 0.00 H new HETATM 0 HB2 PTR B 121 0.132 1.790 -7.686 1.00 0.00 H new HETATM 0 HA PTR B 121 2.234 0.658 -8.922 1.00 0.00 H new ATOM 1815 N GLU B 122 0.131 -0.633 -9.399 1.00 0.00 N ATOM 1816 CA GLU B 122 -0.962 -1.471 -9.877 1.00 0.00 C ATOM 1817 C GLU B 122 -2.074 -0.613 -10.469 1.00 0.00 C ATOM 1818 O GLU B 122 -3.021 -0.239 -9.777 1.00 0.00 O ATOM 1819 CB GLU B 122 -1.513 -2.330 -8.736 1.00 0.00 C ATOM 1820 CG GLU B 122 -1.142 -3.799 -8.848 1.00 0.00 C ATOM 1821 CD GLU B 122 0.170 -4.015 -9.579 1.00 0.00 C ATOM 1822 OE1 GLU B 122 1.232 -3.946 -8.924 1.00 0.00 O ATOM 1823 OE2 GLU B 122 0.136 -4.252 -10.804 1.00 0.00 O ATOM 0 H GLU B 122 0.719 -1.068 -8.688 1.00 0.00 H new ATOM 0 HA GLU B 122 -0.575 -2.127 -10.657 1.00 0.00 H new ATOM 0 HB2 GLU B 122 -1.142 -1.941 -7.788 1.00 0.00 H new ATOM 0 HB3 GLU B 122 -2.599 -2.239 -8.715 1.00 0.00 H new ATOM 0 HG2 GLU B 122 -1.072 -4.230 -7.849 1.00 0.00 H new ATOM 0 HG3 GLU B 122 -1.937 -4.332 -9.370 1.00 0.00 H new ATOM 1830 N PRO B 123 -1.966 -0.288 -11.765 1.00 0.00 N ATOM 1831 CA PRO B 123 -2.954 0.531 -12.464 1.00 0.00 C ATOM 1832 C PRO B 123 -4.385 0.203 -12.055 1.00 0.00 C ATOM 1833 O PRO B 123 -5.014 -0.692 -12.618 1.00 0.00 O ATOM 1834 CB PRO B 123 -2.714 0.169 -13.926 1.00 0.00 C ATOM 1835 CG PRO B 123 -1.255 -0.134 -13.999 1.00 0.00 C ATOM 1836 CD PRO B 123 -0.864 -0.698 -12.655 1.00 0.00 C ATOM 0 HA PRO B 123 -2.843 1.592 -12.242 1.00 0.00 H new ATOM 0 HB2 PRO B 123 -3.314 -0.690 -14.226 1.00 0.00 H new ATOM 0 HB3 PRO B 123 -2.982 0.992 -14.588 1.00 0.00 H new ATOM 0 HG2 PRO B 123 -1.047 -0.849 -14.795 1.00 0.00 H new ATOM 0 HG3 PRO B 123 -0.683 0.766 -14.223 1.00 0.00 H new ATOM 0 HD2 PRO B 123 -0.762 -1.783 -12.691 1.00 0.00 H new ATOM 0 HD3 PRO B 123 0.092 -0.299 -12.317 1.00 0.00 H new ATOM 1844 N PRO B 124 -4.919 0.935 -11.065 1.00 0.00 N ATOM 1845 CA PRO B 124 -6.280 0.736 -10.577 1.00 0.00 C ATOM 1846 C PRO B 124 -7.248 0.343 -11.688 1.00 0.00 C ATOM 1847 O PRO B 124 -7.633 -0.820 -11.810 1.00 0.00 O ATOM 1848 CB PRO B 124 -6.628 2.112 -10.019 1.00 0.00 C ATOM 1849 CG PRO B 124 -5.333 2.652 -9.511 1.00 0.00 C ATOM 1850 CD PRO B 124 -4.238 2.026 -10.346 1.00 0.00 C ATOM 0 HA PRO B 124 -6.352 -0.075 -9.853 1.00 0.00 H new ATOM 0 HB2 PRO B 124 -7.051 2.757 -10.789 1.00 0.00 H new ATOM 0 HB3 PRO B 124 -7.368 2.041 -9.222 1.00 0.00 H new ATOM 0 HG2 PRO B 124 -5.309 3.739 -9.594 1.00 0.00 H new ATOM 0 HG3 PRO B 124 -5.201 2.410 -8.456 1.00 0.00 H new ATOM 0 HD2 PRO B 124 -3.801 2.747 -11.036 1.00 0.00 H new ATOM 0 HD3 PRO B 124 -3.427 1.649 -9.723 1.00 0.00 H new HETATM 1858 N NH2 B 125 -7.648 1.308 -12.507 1.00 0.00 N TER 1859 NH2 B 125