USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 976 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 120 GLN : amide:sc= -1.47 K(o=-1.5,f=-7.1!) USER MOD Set 1.2: A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 10 THR OG1 : rot 180:sc= 0.32 USER MOD Set 2.2: A 116 LYS NZ :NH3+ 143:sc= 0.274 (180deg=-0.418) USER MOD Set 3.1: A 89 THR OG1 : rot -123:sc= 0.0123 USER MOD Set 3.2: A 92 GLN : amide:sc= 0.875 K(o=0.89,f=-0.34) USER MOD Set 4.1: A 78 MET CE :methyl 146:sc= -0.789 (180deg=-1.68) USER MOD Set 4.2: A 86 THR OG1 : rot 108:sc= 0.078 USER MOD Set 5.1: A 44 ASN : amide:sc= 0.0401 K(o=1.8,f=-0.47) USER MOD Set 5.2: A 47 SER OG : rot 28:sc= 0.497 USER MOD Set 5.3: A 56 TYR OH : rot 44:sc= 1.24 USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.141 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.346 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 14 GLN :FLIP amide:sc= -0.853 F(o=-3.8!,f=-0.85) USER MOD Single : A 19 HIS :FLIP no HD1:sc= -0.246 F(o=-1.5!,f=-0.25) USER MOD Single : A 20 LYS NZ :NH3+ 179:sc= 1.2 (180deg=1.13) USER MOD Single : A 23 GLN : amide:sc= -0.0818 X(o=-0.082,f=-0.068) USER MOD Single : A 26 ASN : amide:sc= 1.03 K(o=1,f=-0.085) USER MOD Single : A 32 SER OG : rot -100:sc= -0.0467 USER MOD Single : A 39 GLN :FLIP amide:sc= -3.7! C(o=-5.7!,f=-3.7!) USER MOD Single : A 42 SER OG : rot 95:sc= 1.27 USER MOD Single : A 43 GLN :FLIP amide:sc= -1.94! C(o=-3.1!,f=-1.9!) USER MOD Single : A 50 LYS NZ :NH3+ 163:sc= 0.937 (180deg=0.631) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0213 USER MOD Single : A 53 LYS NZ :NH3+ -177:sc= 0.0791 (180deg=0.048) USER MOD Single : A 58 THR OG1 : rot -170:sc= 0.0481 USER MOD Single : A 61 SER OG : rot 39:sc= -1.05 USER MOD Single : A 72 GLN :FLIP amide:sc= -0.046 F(o=-0.74!,f=-0.046) USER MOD Single : A 76 LYS NZ :NH3+ -162:sc= -0.0991 (180deg=-0.616) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.0173 F(o=-7!,f=-0.017) USER MOD Single : A 81 ASN :FLIP amide:sc= -0.877 F(o=-2.6!,f=-0.88) USER MOD Single : A 85 MET CE :methyl -142:sc= -1.93 (180deg=-4.04!) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= -0.918 K(o=-0.92,f=-4.4!) USER MOD Single : A 95 LYS NZ :NH3+ 153:sc= 0.0175 (180deg=-0.385) USER MOD Single : A 98 THR OG1 : rot -40:sc= 0.638 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot -52:sc= -0.0912 USER MOD Single : A 112 GLN :FLIP amide:sc= -0.388 F(o=-1.7,f=-0.39) USER MOD Single : A 113 SER OG : rot -48:sc= 1.23 USER MOD Single : A 115 GLN : amide:sc= 0.907 K(o=0.91,f=-6.1!) USER MOD Single : A 119 GLN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.968 -10.920 -22.933 1.00 0.00 N ATOM 2 CA GLY A 1 -2.257 -11.773 -21.992 1.00 0.00 C ATOM 3 C GLY A 1 -2.640 -11.430 -20.588 1.00 0.00 C ATOM 4 O GLY A 1 -3.653 -10.761 -20.364 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.281 -11.486 -23.747 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.796 -10.501 -22.464 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.336 -10.162 -23.261 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.487 -12.819 -22.194 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.182 -11.652 -22.122 1.00 0.00 H new ATOM 10 N SER A 2 -1.858 -11.860 -19.646 1.00 0.00 N ATOM 11 CA SER A 2 -2.091 -11.567 -18.269 1.00 0.00 C ATOM 12 C SER A 2 -0.753 -11.472 -17.579 1.00 0.00 C ATOM 13 O SER A 2 0.258 -11.907 -18.129 1.00 0.00 O ATOM 14 CB SER A 2 -2.955 -12.671 -17.622 1.00 0.00 C ATOM 15 OG SER A 2 -3.207 -12.399 -16.244 1.00 0.00 O ATOM 0 H SER A 2 -1.030 -12.431 -19.816 1.00 0.00 H new ATOM 0 HA SER A 2 -2.630 -10.625 -18.172 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.901 -12.754 -18.156 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.450 -13.632 -17.718 1.00 0.00 H new ATOM 0 HG SER A 2 -3.758 -13.115 -15.865 1.00 0.00 H new ATOM 21 N TYR A 3 -0.739 -10.886 -16.412 1.00 0.00 N ATOM 22 CA TYR A 3 0.452 -10.802 -15.618 1.00 0.00 C ATOM 23 C TYR A 3 0.435 -11.892 -14.551 1.00 0.00 C ATOM 24 O TYR A 3 1.402 -12.044 -13.789 1.00 0.00 O ATOM 25 CB TYR A 3 0.596 -9.398 -14.993 1.00 0.00 C ATOM 26 CG TYR A 3 -0.596 -8.891 -14.189 1.00 0.00 C ATOM 27 CD1 TYR A 3 -0.825 -9.317 -12.889 1.00 0.00 C ATOM 28 CD2 TYR A 3 -1.470 -7.956 -14.727 1.00 0.00 C ATOM 29 CE1 TYR A 3 -1.886 -8.829 -12.153 1.00 0.00 C ATOM 30 CE2 TYR A 3 -2.537 -7.470 -13.997 1.00 0.00 C ATOM 31 CZ TYR A 3 -2.738 -7.909 -12.711 1.00 0.00 C ATOM 32 OH TYR A 3 -3.786 -7.413 -11.969 1.00 0.00 O ATOM 0 H TYR A 3 -1.558 -10.452 -15.986 1.00 0.00 H new ATOM 0 HA TYR A 3 1.321 -10.960 -16.257 1.00 0.00 H new ATOM 0 HB2 TYR A 3 1.471 -9.401 -14.343 1.00 0.00 H new ATOM 0 HB3 TYR A 3 0.796 -8.686 -15.794 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -0.161 -10.044 -12.445 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -1.313 -7.602 -15.735 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -2.045 -9.170 -11.141 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -3.210 -6.748 -14.435 1.00 0.00 H new ATOM 0 HH TYR A 3 -4.294 -6.771 -12.508 1.00 0.00 H new ATOM 42 N ILE A 4 -0.681 -12.645 -14.541 1.00 0.00 N ATOM 43 CA ILE A 4 -0.992 -13.738 -13.605 1.00 0.00 C ATOM 44 C ILE A 4 -0.621 -13.436 -12.133 1.00 0.00 C ATOM 45 O ILE A 4 0.497 -13.677 -11.684 1.00 0.00 O ATOM 46 CB ILE A 4 -0.532 -15.173 -14.083 1.00 0.00 C ATOM 47 CG1 ILE A 4 -0.995 -16.251 -13.077 1.00 0.00 C ATOM 48 CG2 ILE A 4 0.982 -15.258 -14.335 1.00 0.00 C ATOM 49 CD1 ILE A 4 -0.707 -17.676 -13.509 1.00 0.00 C ATOM 0 H ILE A 4 -1.427 -12.499 -15.221 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.081 -13.782 -13.624 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.012 -15.361 -15.043 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.508 -16.069 -12.119 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.068 -16.143 -12.915 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.241 -16.265 -14.661 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.263 -14.543 -15.108 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.518 -15.026 -13.415 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.064 -18.367 -12.745 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.216 -17.881 -14.451 1.00 0.00 H new ATOM 0 HD13 ILE A 4 0.367 -17.806 -13.642 1.00 0.00 H new ATOM 61 N PRO A 5 -1.565 -12.870 -11.377 1.00 0.00 N ATOM 62 CA PRO A 5 -1.339 -12.510 -9.983 1.00 0.00 C ATOM 63 C PRO A 5 -1.358 -13.720 -9.043 1.00 0.00 C ATOM 64 O PRO A 5 -1.454 -14.879 -9.482 1.00 0.00 O ATOM 65 CB PRO A 5 -2.521 -11.609 -9.650 1.00 0.00 C ATOM 66 CG PRO A 5 -3.593 -11.946 -10.625 1.00 0.00 C ATOM 67 CD PRO A 5 -2.928 -12.539 -11.830 1.00 0.00 C ATOM 0 HA PRO A 5 -0.360 -12.048 -9.854 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.860 -11.775 -8.627 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.242 -10.558 -9.727 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.300 -12.652 -10.190 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.159 -11.055 -10.898 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -3.457 -13.426 -12.178 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -2.909 -11.833 -12.660 1.00 0.00 H new ATOM 75 N GLY A 6 -1.288 -13.444 -7.758 1.00 0.00 N ATOM 76 CA GLY A 6 -1.383 -14.476 -6.761 1.00 0.00 C ATOM 77 C GLY A 6 -2.764 -14.486 -6.164 1.00 0.00 C ATOM 78 O GLY A 6 -2.932 -14.469 -4.942 1.00 0.00 O ATOM 0 H GLY A 6 -1.165 -12.504 -7.382 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.163 -15.446 -7.207 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -0.641 -14.309 -5.980 1.00 0.00 H new ATOM 82 N GLN A 7 -3.747 -14.450 -7.034 1.00 0.00 N ATOM 83 CA GLN A 7 -5.129 -14.461 -6.646 1.00 0.00 C ATOM 84 C GLN A 7 -5.608 -15.881 -6.437 1.00 0.00 C ATOM 85 O GLN A 7 -5.390 -16.753 -7.290 1.00 0.00 O ATOM 86 CB GLN A 7 -5.978 -13.743 -7.704 1.00 0.00 C ATOM 87 CG GLN A 7 -7.485 -13.908 -7.567 1.00 0.00 C ATOM 88 CD GLN A 7 -8.266 -13.118 -8.607 1.00 0.00 C ATOM 89 OE1 GLN A 7 -7.695 -12.935 -9.780 1.00 0.00 O flip ATOM 90 NE2 GLN A 7 -9.390 -12.689 -8.357 1.00 0.00 N flip ATOM 0 H GLN A 7 -3.602 -14.412 -8.043 1.00 0.00 H new ATOM 0 HA GLN A 7 -5.236 -13.928 -5.701 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -5.743 -12.679 -7.670 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -5.680 -14.104 -8.688 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -7.739 -14.964 -7.655 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -7.791 -13.589 -6.571 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -9.804 -12.848 -7.438 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -9.909 -12.174 -9.068 1.00 0.00 H new ATOM 99 N PRO A 8 -6.209 -16.151 -5.284 1.00 0.00 N ATOM 100 CA PRO A 8 -6.809 -17.431 -5.024 1.00 0.00 C ATOM 101 C PRO A 8 -8.206 -17.491 -5.671 1.00 0.00 C ATOM 102 O PRO A 8 -8.333 -17.889 -6.825 1.00 0.00 O ATOM 103 CB PRO A 8 -6.856 -17.503 -3.496 1.00 0.00 C ATOM 104 CG PRO A 8 -6.915 -16.069 -3.040 1.00 0.00 C ATOM 105 CD PRO A 8 -6.336 -15.225 -4.148 1.00 0.00 C ATOM 0 HA PRO A 8 -6.263 -18.277 -5.442 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.727 -18.062 -3.154 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.976 -18.008 -3.097 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.943 -15.774 -2.829 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.349 -15.935 -2.118 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.988 -14.386 -4.390 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.370 -14.807 -3.866 1.00 0.00 H new ATOM 113 N VAL A 9 -9.235 -17.052 -4.955 1.00 0.00 N ATOM 114 CA VAL A 9 -10.562 -16.905 -5.537 1.00 0.00 C ATOM 115 C VAL A 9 -11.250 -15.649 -5.033 1.00 0.00 C ATOM 116 O VAL A 9 -11.788 -14.874 -5.817 1.00 0.00 O ATOM 117 CB VAL A 9 -11.524 -18.139 -5.358 1.00 0.00 C ATOM 118 CG1 VAL A 9 -11.052 -19.345 -6.138 1.00 0.00 C ATOM 119 CG2 VAL A 9 -11.732 -18.517 -3.904 1.00 0.00 C ATOM 0 H VAL A 9 -9.175 -16.792 -3.971 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.368 -16.833 -6.607 1.00 0.00 H new ATOM 0 HB VAL A 9 -12.485 -17.817 -5.760 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.746 -20.172 -5.985 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.010 -19.098 -7.199 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.060 -19.636 -5.793 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -12.404 -19.373 -3.843 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.773 -18.775 -3.454 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -12.169 -17.674 -3.368 1.00 0.00 H new ATOM 129 N THR A 10 -11.217 -15.434 -3.733 1.00 0.00 N ATOM 130 CA THR A 10 -11.935 -14.320 -3.156 1.00 0.00 C ATOM 131 C THR A 10 -11.050 -13.070 -2.989 1.00 0.00 C ATOM 132 O THR A 10 -11.554 -11.946 -3.029 1.00 0.00 O ATOM 133 CB THR A 10 -12.617 -14.722 -1.812 1.00 0.00 C ATOM 134 OG1 THR A 10 -13.669 -13.794 -1.502 1.00 0.00 O ATOM 135 CG2 THR A 10 -11.609 -14.749 -0.654 1.00 0.00 C ATOM 0 H THR A 10 -10.706 -16.010 -3.064 1.00 0.00 H new ATOM 0 HA THR A 10 -12.720 -14.051 -3.863 1.00 0.00 H new ATOM 0 HB THR A 10 -13.026 -15.725 -1.935 1.00 0.00 H new ATOM 0 HG1 THR A 10 -14.095 -14.052 -0.658 1.00 0.00 H new ATOM 0 HG21 THR A 10 -12.120 -15.033 0.266 1.00 0.00 H new ATOM 0 HG22 THR A 10 -10.824 -15.473 -0.872 1.00 0.00 H new ATOM 0 HG23 THR A 10 -11.167 -13.760 -0.533 1.00 0.00 H new ATOM 143 N ALA A 11 -9.752 -13.262 -2.795 1.00 0.00 N ATOM 144 CA ALA A 11 -8.856 -12.125 -2.672 1.00 0.00 C ATOM 145 C ALA A 11 -8.608 -11.566 -4.022 1.00 0.00 C ATOM 146 O ALA A 11 -8.359 -12.306 -4.971 1.00 0.00 O ATOM 147 CB ALA A 11 -7.552 -12.487 -2.015 1.00 0.00 C ATOM 0 H ALA A 11 -9.305 -14.176 -2.721 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.335 -11.384 -2.031 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.920 -11.601 -1.948 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.744 -12.872 -1.014 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.046 -13.250 -2.607 1.00 0.00 H new ATOM 153 N VAL A 12 -8.670 -10.286 -4.118 1.00 0.00 N ATOM 154 CA VAL A 12 -8.546 -9.638 -5.383 1.00 0.00 C ATOM 155 C VAL A 12 -7.188 -9.000 -5.481 1.00 0.00 C ATOM 156 O VAL A 12 -6.799 -8.219 -4.610 1.00 0.00 O ATOM 157 CB VAL A 12 -9.648 -8.559 -5.600 1.00 0.00 C ATOM 158 CG1 VAL A 12 -9.559 -7.962 -7.000 1.00 0.00 C ATOM 159 CG2 VAL A 12 -11.040 -9.136 -5.356 1.00 0.00 C ATOM 0 H VAL A 12 -8.808 -9.656 -3.327 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.670 -10.393 -6.160 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.477 -7.763 -4.875 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.339 -7.211 -7.126 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.583 -7.497 -7.136 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.691 -8.750 -7.741 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.789 -8.360 -5.515 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.219 -9.960 -6.047 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.108 -9.501 -4.331 1.00 0.00 H new ATOM 169 N VAL A 13 -6.453 -9.381 -6.483 1.00 0.00 N ATOM 170 CA VAL A 13 -5.172 -8.797 -6.771 1.00 0.00 C ATOM 171 C VAL A 13 -5.353 -7.974 -8.022 1.00 0.00 C ATOM 172 O VAL A 13 -5.857 -8.484 -9.031 1.00 0.00 O ATOM 173 CB VAL A 13 -4.097 -9.868 -7.042 1.00 0.00 C ATOM 174 CG1 VAL A 13 -2.706 -9.243 -7.183 1.00 0.00 C ATOM 175 CG2 VAL A 13 -4.123 -10.983 -5.999 1.00 0.00 C ATOM 0 H VAL A 13 -6.728 -10.116 -7.134 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.839 -8.207 -5.917 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.339 -10.333 -7.998 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.973 -10.027 -7.373 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.707 -8.537 -8.014 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.447 -8.720 -6.262 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.349 -11.715 -6.230 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.940 -10.561 -5.011 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.098 -11.470 -6.011 1.00 0.00 H new ATOM 185 N GLN A 14 -4.993 -6.733 -7.969 1.00 0.00 N ATOM 186 CA GLN A 14 -5.196 -5.862 -9.088 1.00 0.00 C ATOM 187 C GLN A 14 -3.992 -4.952 -9.274 1.00 0.00 C ATOM 188 O GLN A 14 -3.291 -4.616 -8.302 1.00 0.00 O ATOM 189 CB GLN A 14 -6.517 -5.084 -8.900 1.00 0.00 C ATOM 190 CG GLN A 14 -6.561 -4.173 -7.675 1.00 0.00 C ATOM 191 CD GLN A 14 -6.338 -2.729 -8.039 1.00 0.00 C ATOM 192 OE1 GLN A 14 -5.127 -2.331 -8.077 1.00 0.00 O flip ATOM 193 NE2 GLN A 14 -7.272 -1.988 -8.318 1.00 0.00 N flip ATOM 0 H GLN A 14 -4.554 -6.295 -7.159 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.288 -6.443 -10.006 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.695 -4.480 -9.790 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -7.336 -5.800 -8.831 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.526 -4.277 -7.180 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.801 -4.489 -6.961 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -8.230 -2.337 -8.278 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.092 -1.022 -8.591 1.00 0.00 H new ATOM 202 N ARG A 15 -3.757 -4.555 -10.487 1.00 0.00 N ATOM 203 CA ARG A 15 -2.618 -3.730 -10.822 1.00 0.00 C ATOM 204 C ARG A 15 -2.965 -2.249 -10.692 1.00 0.00 C ATOM 205 O ARG A 15 -4.115 -1.858 -10.883 1.00 0.00 O ATOM 206 CB ARG A 15 -2.104 -4.091 -12.240 1.00 0.00 C ATOM 207 CG ARG A 15 -3.101 -3.894 -13.402 1.00 0.00 C ATOM 208 CD ARG A 15 -3.145 -2.455 -13.901 1.00 0.00 C ATOM 209 NE ARG A 15 -1.845 -2.048 -14.427 1.00 0.00 N ATOM 210 CZ ARG A 15 -1.541 -0.851 -14.909 1.00 0.00 C ATOM 211 NH1 ARG A 15 -2.470 0.102 -15.008 1.00 0.00 N ATOM 212 NH2 ARG A 15 -0.306 -0.619 -15.307 1.00 0.00 N ATOM 0 H ARG A 15 -4.349 -4.791 -11.283 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.811 -3.927 -10.117 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.217 -3.491 -12.445 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.788 -5.134 -12.234 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.826 -4.552 -14.226 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.097 -4.192 -13.075 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.903 -2.358 -14.678 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.437 -1.792 -13.087 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.103 -2.748 -14.423 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.427 -0.086 -14.711 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.223 1.019 -15.381 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.398 -1.355 -15.241 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.054 0.296 -15.681 1.00 0.00 H new ATOM 226 N VAL A 16 -2.000 -1.440 -10.359 1.00 0.00 N ATOM 227 CA VAL A 16 -2.205 -0.015 -10.226 1.00 0.00 C ATOM 228 C VAL A 16 -1.122 0.673 -11.036 1.00 0.00 C ATOM 229 O VAL A 16 -0.066 0.085 -11.279 1.00 0.00 O ATOM 230 CB VAL A 16 -2.050 0.503 -8.770 1.00 0.00 C ATOM 231 CG1 VAL A 16 -2.837 1.766 -8.548 1.00 0.00 C ATOM 232 CG2 VAL A 16 -2.320 -0.538 -7.702 1.00 0.00 C ATOM 0 H VAL A 16 -1.045 -1.745 -10.170 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.222 0.196 -10.558 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.992 0.742 -8.657 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.706 2.100 -7.519 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.483 2.540 -9.229 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.894 1.574 -8.735 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.189 -0.091 -6.717 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.342 -0.905 -7.801 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.624 -1.368 -7.819 1.00 0.00 H new ATOM 242 N GLU A 17 -1.357 1.894 -11.424 1.00 0.00 N ATOM 243 CA GLU A 17 -0.383 2.648 -12.165 1.00 0.00 C ATOM 244 C GLU A 17 -0.434 4.111 -11.784 1.00 0.00 C ATOM 245 O GLU A 17 -1.372 4.826 -12.122 1.00 0.00 O ATOM 246 CB GLU A 17 -0.610 2.459 -13.641 1.00 0.00 C ATOM 247 CG GLU A 17 0.393 3.134 -14.530 1.00 0.00 C ATOM 248 CD GLU A 17 0.205 2.708 -15.950 1.00 0.00 C ATOM 249 OE1 GLU A 17 0.700 1.638 -16.323 1.00 0.00 O ATOM 250 OE2 GLU A 17 -0.487 3.386 -16.707 1.00 0.00 O ATOM 0 H GLU A 17 -2.226 2.395 -11.237 1.00 0.00 H new ATOM 0 HA GLU A 17 0.614 2.281 -11.919 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.606 1.391 -13.860 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.603 2.832 -13.891 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.287 4.216 -14.452 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.403 2.888 -14.201 1.00 0.00 H new ATOM 257 N ILE A 18 0.559 4.541 -11.075 1.00 0.00 N ATOM 258 CA ILE A 18 0.627 5.911 -10.642 1.00 0.00 C ATOM 259 C ILE A 18 1.509 6.705 -11.584 1.00 0.00 C ATOM 260 O ILE A 18 2.602 6.252 -11.952 1.00 0.00 O ATOM 261 CB ILE A 18 1.124 6.094 -9.150 1.00 0.00 C ATOM 262 CG1 ILE A 18 0.003 5.898 -8.100 1.00 0.00 C ATOM 263 CG2 ILE A 18 1.789 7.437 -8.939 1.00 0.00 C ATOM 264 CD1 ILE A 18 -0.357 4.476 -7.739 1.00 0.00 C ATOM 0 H ILE A 18 1.344 3.962 -10.778 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.396 6.288 -10.666 1.00 0.00 H new ATOM 0 HB ILE A 18 1.858 5.303 -8.997 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.300 6.415 -7.187 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.896 6.392 -8.468 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.115 7.523 -7.903 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.652 7.524 -9.600 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.079 8.234 -9.163 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.154 4.480 -6.995 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.696 3.949 -8.631 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.519 3.972 -7.330 1.00 0.00 H new ATOM 276 N HIS A 19 1.015 7.847 -11.999 1.00 0.00 N ATOM 277 CA HIS A 19 1.760 8.766 -12.821 1.00 0.00 C ATOM 278 C HIS A 19 2.369 9.878 -11.956 1.00 0.00 C ATOM 279 O HIS A 19 1.845 10.197 -10.889 1.00 0.00 O ATOM 280 CB HIS A 19 0.867 9.356 -13.933 1.00 0.00 C ATOM 281 CG HIS A 19 0.518 8.388 -15.036 1.00 0.00 C ATOM 282 ND1 HIS A 19 0.774 7.065 -15.153 1.00 0.00 N flip ATOM 283 CD2 HIS A 19 -0.156 8.739 -16.183 1.00 0.00 C flip ATOM 284 CE1 HIS A 19 0.263 6.601 -16.356 1.00 0.00 C flip ATOM 285 NE2 HIS A 19 -0.286 7.647 -16.936 1.00 0.00 N flip ATOM 0 H HIS A 19 0.073 8.166 -11.772 1.00 0.00 H new ATOM 0 HA HIS A 19 2.572 8.221 -13.302 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -0.056 9.723 -13.484 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.373 10.217 -14.369 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -0.517 9.727 -16.430 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.307 5.592 -16.737 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -0.751 7.625 -17.844 1.00 0.00 H new ATOM 293 N LYS A 20 3.483 10.427 -12.435 1.00 0.00 N ATOM 294 CA LYS A 20 4.280 11.511 -11.765 1.00 0.00 C ATOM 295 C LYS A 20 3.420 12.629 -11.102 1.00 0.00 C ATOM 296 O LYS A 20 2.746 13.410 -11.793 1.00 0.00 O ATOM 297 CB LYS A 20 5.222 12.150 -12.811 1.00 0.00 C ATOM 298 CG LYS A 20 6.116 13.273 -12.294 1.00 0.00 C ATOM 299 CD LYS A 20 6.862 13.973 -13.438 1.00 0.00 C ATOM 300 CE LYS A 20 7.930 13.089 -14.083 1.00 0.00 C ATOM 301 NZ LYS A 20 9.080 12.839 -13.182 1.00 0.00 N ATOM 0 H LYS A 20 3.888 10.137 -13.325 1.00 0.00 H new ATOM 0 HA LYS A 20 4.830 11.034 -10.954 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.856 11.368 -13.228 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.616 12.540 -13.629 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.511 14.001 -11.754 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.836 12.868 -11.583 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.144 14.280 -14.199 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.331 14.881 -13.057 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.484 12.137 -14.370 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.286 13.563 -14.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.767 12.222 -13.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.535 13.743 -12.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.746 12.377 -12.312 1.00 0.00 H new ATOM 315 N LEU A 21 3.472 12.700 -9.778 1.00 0.00 N ATOM 316 CA LEU A 21 2.776 13.725 -9.008 1.00 0.00 C ATOM 317 C LEU A 21 3.730 14.446 -8.034 1.00 0.00 C ATOM 318 O LEU A 21 4.546 13.811 -7.372 1.00 0.00 O ATOM 319 CB LEU A 21 1.694 13.073 -8.172 1.00 0.00 C ATOM 320 CG LEU A 21 0.923 14.021 -7.253 1.00 0.00 C ATOM 321 CD1 LEU A 21 -0.035 14.887 -8.044 1.00 0.00 C ATOM 322 CD2 LEU A 21 0.220 13.280 -6.140 1.00 0.00 C ATOM 0 H LEU A 21 4.002 12.044 -9.204 1.00 0.00 H new ATOM 0 HA LEU A 21 2.364 14.444 -9.716 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.985 12.584 -8.841 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.149 12.292 -7.563 1.00 0.00 H new ATOM 0 HG LEU A 21 1.650 14.681 -6.780 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.570 15.551 -7.365 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.524 15.481 -8.767 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.749 14.253 -8.569 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.315 13.991 -5.511 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.487 12.569 -6.566 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.955 12.745 -5.538 1.00 0.00 H new ATOM 334 N ARG A 22 3.617 15.760 -7.939 1.00 0.00 N ATOM 335 CA ARG A 22 4.366 16.514 -6.956 1.00 0.00 C ATOM 336 C ARG A 22 3.458 16.932 -5.826 1.00 0.00 C ATOM 337 O ARG A 22 2.366 17.453 -6.062 1.00 0.00 O ATOM 338 CB ARG A 22 4.985 17.764 -7.555 1.00 0.00 C ATOM 339 CG ARG A 22 5.992 17.508 -8.633 1.00 0.00 C ATOM 340 CD ARG A 22 6.652 18.792 -9.047 1.00 0.00 C ATOM 341 NE ARG A 22 7.664 18.577 -10.083 1.00 0.00 N ATOM 342 CZ ARG A 22 8.889 19.134 -10.106 1.00 0.00 C ATOM 343 NH1 ARG A 22 9.287 19.940 -9.123 1.00 0.00 N ATOM 344 NH2 ARG A 22 9.710 18.880 -11.123 1.00 0.00 N ATOM 0 H ARG A 22 3.011 16.325 -8.534 1.00 0.00 H new ATOM 0 HA ARG A 22 5.163 15.865 -6.593 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.189 18.389 -7.961 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.463 18.334 -6.758 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.744 16.803 -8.278 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.505 17.048 -9.493 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.897 19.486 -9.416 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.116 19.258 -8.178 1.00 0.00 H new ATOM 0 HE ARG A 22 7.420 17.953 -10.852 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.661 20.140 -8.343 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.218 20.357 -9.150 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.410 18.266 -11.880 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.639 19.300 -11.145 1.00 0.00 H new ATOM 358 N GLN A 23 3.884 16.705 -4.608 1.00 0.00 N ATOM 359 CA GLN A 23 3.156 17.130 -3.468 1.00 0.00 C ATOM 360 C GLN A 23 4.065 18.003 -2.685 1.00 0.00 C ATOM 361 O GLN A 23 5.056 17.517 -2.138 1.00 0.00 O ATOM 362 CB GLN A 23 2.753 15.946 -2.636 1.00 0.00 C ATOM 363 CG GLN A 23 1.749 15.034 -3.291 1.00 0.00 C ATOM 364 CD GLN A 23 0.394 15.664 -3.356 1.00 0.00 C ATOM 365 OE1 GLN A 23 0.028 16.328 -4.320 1.00 0.00 O ATOM 366 NE2 GLN A 23 -0.328 15.506 -2.310 1.00 0.00 N ATOM 0 H GLN A 23 4.753 16.216 -4.393 1.00 0.00 H new ATOM 0 HA GLN A 23 2.249 17.658 -3.761 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.645 15.369 -2.393 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.339 16.304 -1.694 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.084 14.786 -4.298 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.690 14.098 -2.735 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.018 14.945 -1.532 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -1.249 15.941 -2.255 1.00 0.00 H new ATOM 375 N GLY A 24 3.798 19.277 -2.711 1.00 0.00 N ATOM 376 CA GLY A 24 4.618 20.221 -2.007 1.00 0.00 C ATOM 377 C GLY A 24 5.976 20.333 -2.656 1.00 0.00 C ATOM 378 O GLY A 24 6.087 20.760 -3.801 1.00 0.00 O ATOM 0 H GLY A 24 3.013 19.688 -3.216 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.132 21.197 -1.997 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.730 19.910 -0.968 1.00 0.00 H new ATOM 382 N GLU A 25 6.994 19.903 -1.953 1.00 0.00 N ATOM 383 CA GLU A 25 8.358 19.922 -2.473 1.00 0.00 C ATOM 384 C GLU A 25 8.832 18.515 -2.773 1.00 0.00 C ATOM 385 O GLU A 25 10.028 18.254 -2.943 1.00 0.00 O ATOM 386 CB GLU A 25 9.295 20.594 -1.476 1.00 0.00 C ATOM 387 CG GLU A 25 9.000 22.059 -1.276 1.00 0.00 C ATOM 388 CD GLU A 25 9.870 22.695 -0.233 1.00 0.00 C ATOM 389 OE1 GLU A 25 11.043 22.994 -0.515 1.00 0.00 O ATOM 390 OE2 GLU A 25 9.383 22.942 0.885 1.00 0.00 O ATOM 0 H GLU A 25 6.912 19.530 -1.007 1.00 0.00 H new ATOM 0 HA GLU A 25 8.366 20.494 -3.401 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.222 20.081 -0.517 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.323 20.481 -1.821 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.134 22.583 -2.222 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.955 22.178 -0.991 1.00 0.00 H new ATOM 397 N ASN A 26 7.912 17.606 -2.861 1.00 0.00 N ATOM 398 CA ASN A 26 8.272 16.227 -3.081 1.00 0.00 C ATOM 399 C ASN A 26 7.640 15.754 -4.347 1.00 0.00 C ATOM 400 O ASN A 26 6.877 16.479 -4.991 1.00 0.00 O ATOM 401 CB ASN A 26 7.775 15.321 -1.939 1.00 0.00 C ATOM 402 CG ASN A 26 7.820 15.979 -0.594 1.00 0.00 C ATOM 403 OD1 ASN A 26 8.828 15.955 0.107 1.00 0.00 O ATOM 404 ND2 ASN A 26 6.719 16.555 -0.228 1.00 0.00 N ATOM 0 H ASN A 26 6.911 17.785 -2.785 1.00 0.00 H new ATOM 0 HA ASN A 26 9.359 16.171 -3.131 1.00 0.00 H new ATOM 0 HB2 ASN A 26 6.751 15.012 -2.150 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.382 14.416 -1.913 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.662 17.017 0.680 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.909 16.547 -0.848 1.00 0.00 H new ATOM 411 N LEU A 27 7.945 14.558 -4.679 1.00 0.00 N ATOM 412 CA LEU A 27 7.386 13.866 -5.784 1.00 0.00 C ATOM 413 C LEU A 27 6.928 12.587 -5.149 1.00 0.00 C ATOM 414 O LEU A 27 7.739 11.851 -4.613 1.00 0.00 O ATOM 415 CB LEU A 27 8.495 13.606 -6.821 1.00 0.00 C ATOM 416 CG LEU A 27 8.113 13.156 -8.252 1.00 0.00 C ATOM 417 CD1 LEU A 27 7.326 11.850 -8.290 1.00 0.00 C ATOM 418 CD2 LEU A 27 7.384 14.261 -8.984 1.00 0.00 C ATOM 0 H LEU A 27 8.627 14.003 -4.163 1.00 0.00 H new ATOM 0 HA LEU A 27 6.588 14.393 -6.306 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.078 14.523 -6.912 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.158 12.847 -6.406 1.00 0.00 H new ATOM 0 HG LEU A 27 9.050 12.950 -8.770 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.093 11.596 -9.324 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.922 11.053 -7.846 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.400 11.967 -7.727 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.125 13.923 -9.988 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.474 14.518 -8.442 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.027 15.139 -9.051 1.00 0.00 H new ATOM 430 N ILE A 28 5.651 12.394 -5.082 1.00 0.00 N ATOM 431 CA ILE A 28 5.117 11.250 -4.405 1.00 0.00 C ATOM 432 C ILE A 28 4.147 10.579 -5.328 1.00 0.00 C ATOM 433 O ILE A 28 3.610 11.208 -6.231 1.00 0.00 O ATOM 434 CB ILE A 28 4.322 11.655 -3.121 1.00 0.00 C ATOM 435 CG1 ILE A 28 4.918 12.907 -2.478 1.00 0.00 C ATOM 436 CG2 ILE A 28 4.309 10.504 -2.109 1.00 0.00 C ATOM 437 CD1 ILE A 28 4.261 13.303 -1.170 1.00 0.00 C ATOM 0 H ILE A 28 4.952 13.016 -5.489 1.00 0.00 H new ATOM 0 HA ILE A 28 5.948 10.604 -4.121 1.00 0.00 H new ATOM 0 HB ILE A 28 3.297 11.875 -3.420 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.981 12.742 -2.303 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.836 13.737 -3.180 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.751 10.805 -1.222 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.835 9.631 -2.557 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.332 10.256 -1.827 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.741 14.200 -0.779 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.203 13.502 -1.340 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.366 12.492 -0.450 1.00 0.00 H new ATOM 449 N LEU A 29 3.885 9.329 -5.078 1.00 0.00 N ATOM 450 CA LEU A 29 2.892 8.594 -5.828 1.00 0.00 C ATOM 451 C LEU A 29 1.482 8.938 -5.307 1.00 0.00 C ATOM 452 O LEU A 29 0.480 8.374 -5.735 1.00 0.00 O ATOM 453 CB LEU A 29 3.151 7.098 -5.690 1.00 0.00 C ATOM 454 CG LEU A 29 4.546 6.596 -6.067 1.00 0.00 C ATOM 455 CD1 LEU A 29 4.613 5.093 -5.940 1.00 0.00 C ATOM 456 CD2 LEU A 29 4.980 7.061 -7.451 1.00 0.00 C ATOM 0 H LEU A 29 4.350 8.785 -4.351 1.00 0.00 H new ATOM 0 HA LEU A 29 2.956 8.871 -6.880 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.958 6.815 -4.655 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.423 6.570 -6.306 1.00 0.00 H new ATOM 0 HG LEU A 29 5.254 7.036 -5.365 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.611 4.749 -6.211 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.397 4.805 -4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.879 4.639 -6.606 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.977 6.677 -7.668 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.277 6.689 -8.197 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.997 8.150 -7.480 1.00 0.00 H new ATOM 468 N GLY A 30 1.433 9.844 -4.352 1.00 0.00 N ATOM 469 CA GLY A 30 0.191 10.307 -3.803 1.00 0.00 C ATOM 470 C GLY A 30 -0.180 9.609 -2.521 1.00 0.00 C ATOM 471 O GLY A 30 -0.758 10.209 -1.628 1.00 0.00 O ATOM 0 H GLY A 30 2.259 10.276 -3.939 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.258 11.380 -3.621 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.602 10.157 -4.535 1.00 0.00 H new ATOM 475 N PHE A 31 0.139 8.354 -2.427 1.00 0.00 N ATOM 476 CA PHE A 31 -0.232 7.577 -1.275 1.00 0.00 C ATOM 477 C PHE A 31 0.913 7.432 -0.254 1.00 0.00 C ATOM 478 O PHE A 31 2.080 7.728 -0.548 1.00 0.00 O ATOM 479 CB PHE A 31 -0.752 6.210 -1.718 1.00 0.00 C ATOM 480 CG PHE A 31 0.269 5.314 -2.343 1.00 0.00 C ATOM 481 CD1 PHE A 31 0.516 5.379 -3.684 1.00 0.00 C ATOM 482 CD2 PHE A 31 0.963 4.397 -1.583 1.00 0.00 C ATOM 483 CE1 PHE A 31 1.440 4.551 -4.270 1.00 0.00 C ATOM 484 CE2 PHE A 31 1.891 3.563 -2.157 1.00 0.00 C ATOM 485 CZ PHE A 31 2.132 3.636 -3.506 1.00 0.00 C ATOM 0 H PHE A 31 0.659 7.840 -3.138 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.027 8.116 -0.760 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.177 5.702 -0.852 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.564 6.361 -2.429 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.023 6.091 -4.291 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.774 4.333 -0.521 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.625 4.616 -5.332 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.430 2.852 -1.548 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.858 2.982 -3.965 1.00 0.00 H new ATOM 495 N SER A 32 0.555 6.962 0.919 1.00 0.00 N ATOM 496 CA SER A 32 1.458 6.739 2.016 1.00 0.00 C ATOM 497 C SER A 32 1.409 5.282 2.428 1.00 0.00 C ATOM 498 O SER A 32 0.457 4.579 2.100 1.00 0.00 O ATOM 499 CB SER A 32 1.054 7.603 3.173 1.00 0.00 C ATOM 500 OG SER A 32 1.008 8.972 2.787 1.00 0.00 O ATOM 0 H SER A 32 -0.410 6.717 1.140 1.00 0.00 H new ATOM 0 HA SER A 32 2.473 6.991 1.709 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.077 7.291 3.542 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.761 7.475 3.993 1.00 0.00 H new ATOM 0 HG SER A 32 1.826 9.423 3.083 1.00 0.00 H new ATOM 506 N ILE A 33 2.393 4.844 3.189 1.00 0.00 N ATOM 507 CA ILE A 33 2.511 3.447 3.530 1.00 0.00 C ATOM 508 C ILE A 33 2.554 3.284 5.029 1.00 0.00 C ATOM 509 O ILE A 33 2.813 4.248 5.752 1.00 0.00 O ATOM 510 CB ILE A 33 3.785 2.804 2.913 1.00 0.00 C ATOM 511 CG1 ILE A 33 5.061 3.112 3.738 1.00 0.00 C ATOM 512 CG2 ILE A 33 3.947 3.306 1.505 1.00 0.00 C ATOM 513 CD1 ILE A 33 6.329 2.449 3.215 1.00 0.00 C ATOM 0 H ILE A 33 3.122 5.440 3.582 1.00 0.00 H new ATOM 0 HA ILE A 33 1.639 2.939 3.119 1.00 0.00 H new ATOM 0 HB ILE A 33 3.658 1.722 2.922 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.213 4.191 3.759 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.898 2.793 4.768 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.838 2.862 1.061 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.072 3.029 0.917 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.049 4.391 1.515 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.171 2.720 3.853 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.203 1.366 3.221 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.522 2.786 2.197 1.00 0.00 H new ATOM 525 N GLY A 34 2.317 2.086 5.483 1.00 0.00 N ATOM 526 CA GLY A 34 2.329 1.824 6.894 1.00 0.00 C ATOM 527 C GLY A 34 3.533 1.054 7.293 1.00 0.00 C ATOM 528 O GLY A 34 4.006 1.149 8.419 1.00 0.00 O ATOM 0 H GLY A 34 2.113 1.276 4.897 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.301 2.767 7.441 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.433 1.269 7.170 1.00 0.00 H new ATOM 532 N GLY A 35 4.083 0.341 6.361 1.00 0.00 N ATOM 533 CA GLY A 35 5.202 -0.459 6.658 1.00 0.00 C ATOM 534 C GLY A 35 4.961 -1.852 6.281 1.00 0.00 C ATOM 535 O GLY A 35 3.882 -2.167 5.898 1.00 0.00 O ATOM 0 H GLY A 35 3.767 0.304 5.392 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.076 -0.080 6.128 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.425 -0.399 7.723 1.00 0.00 H new ATOM 539 N GLY A 36 6.009 -2.638 6.276 1.00 0.00 N ATOM 540 CA GLY A 36 5.881 -4.030 5.987 1.00 0.00 C ATOM 541 C GLY A 36 6.206 -4.894 7.165 1.00 0.00 C ATOM 542 O GLY A 36 5.658 -4.729 8.225 1.00 0.00 O ATOM 0 H GLY A 36 6.961 -2.328 6.471 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.862 -4.237 5.659 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.541 -4.288 5.159 1.00 0.00 H new ATOM 546 N ILE A 37 7.171 -5.758 6.991 1.00 0.00 N ATOM 547 CA ILE A 37 7.551 -6.750 8.024 1.00 0.00 C ATOM 548 C ILE A 37 8.161 -6.097 9.260 1.00 0.00 C ATOM 549 O ILE A 37 8.226 -6.696 10.324 1.00 0.00 O ATOM 550 CB ILE A 37 8.547 -7.816 7.497 1.00 0.00 C ATOM 551 CG1 ILE A 37 9.971 -7.227 7.273 1.00 0.00 C ATOM 552 CG2 ILE A 37 8.009 -8.443 6.218 1.00 0.00 C ATOM 553 CD1 ILE A 37 10.094 -6.221 6.177 1.00 0.00 C ATOM 0 H ILE A 37 7.729 -5.813 6.139 1.00 0.00 H new ATOM 0 HA ILE A 37 6.615 -7.239 8.294 1.00 0.00 H new ATOM 0 HB ILE A 37 8.643 -8.589 8.259 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.303 -6.765 8.203 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.655 -8.050 7.064 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.714 -9.190 5.855 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.049 -8.918 6.421 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.878 -7.670 5.461 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.127 -5.879 6.111 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.801 -6.676 5.231 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.444 -5.372 6.388 1.00 0.00 H new ATOM 565 N ASP A 38 8.621 -4.878 9.084 1.00 0.00 N ATOM 566 CA ASP A 38 9.247 -4.104 10.147 1.00 0.00 C ATOM 567 C ASP A 38 8.213 -3.650 11.177 1.00 0.00 C ATOM 568 O ASP A 38 8.544 -3.308 12.319 1.00 0.00 O ATOM 569 CB ASP A 38 9.949 -2.905 9.498 1.00 0.00 C ATOM 570 CG ASP A 38 10.542 -1.908 10.469 1.00 0.00 C ATOM 571 OD1 ASP A 38 11.505 -2.232 11.165 1.00 0.00 O ATOM 572 OD2 ASP A 38 10.081 -0.750 10.485 1.00 0.00 O ATOM 0 H ASP A 38 8.573 -4.386 8.192 1.00 0.00 H new ATOM 0 HA ASP A 38 9.972 -4.716 10.683 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.744 -3.275 8.851 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.234 -2.386 8.860 1.00 0.00 H new ATOM 577 N GLN A 39 6.960 -3.708 10.783 1.00 0.00 N ATOM 578 CA GLN A 39 5.868 -3.220 11.623 1.00 0.00 C ATOM 579 C GLN A 39 5.284 -4.394 12.383 1.00 0.00 C ATOM 580 O GLN A 39 5.818 -5.506 12.315 1.00 0.00 O ATOM 581 CB GLN A 39 4.786 -2.576 10.746 1.00 0.00 C ATOM 582 CG GLN A 39 5.337 -1.884 9.563 1.00 0.00 C ATOM 583 CD GLN A 39 6.384 -0.856 9.899 1.00 0.00 C ATOM 584 OE1 GLN A 39 7.409 -0.853 9.114 1.00 0.00 O flip ATOM 585 NE2 GLN A 39 6.326 -0.165 10.909 1.00 0.00 N flip ATOM 0 H GLN A 39 6.663 -4.088 9.884 1.00 0.00 H new ATOM 0 HA GLN A 39 6.241 -2.472 12.323 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.087 -3.345 10.417 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.218 -1.864 11.344 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.769 -2.623 8.889 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.523 -1.399 9.025 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.497 -0.197 11.502 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.107 0.443 11.157 1.00 0.00 H new ATOM 594 N ASP A 40 4.213 -4.182 13.100 1.00 0.00 N ATOM 595 CA ASP A 40 3.615 -5.277 13.828 1.00 0.00 C ATOM 596 C ASP A 40 2.142 -5.272 13.587 1.00 0.00 C ATOM 597 O ASP A 40 1.493 -4.263 13.853 1.00 0.00 O ATOM 598 CB ASP A 40 3.838 -5.165 15.315 1.00 0.00 C ATOM 599 CG ASP A 40 3.673 -6.496 15.995 1.00 0.00 C ATOM 600 OD1 ASP A 40 2.534 -6.862 16.348 1.00 0.00 O ATOM 601 OD2 ASP A 40 4.684 -7.201 16.180 1.00 0.00 O ATOM 0 H ASP A 40 3.742 -3.282 13.198 1.00 0.00 H new ATOM 0 HA ASP A 40 4.083 -6.196 13.475 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.839 -4.778 15.506 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.133 -4.449 15.737 1.00 0.00 H new ATOM 606 N PRO A 41 1.577 -6.383 13.119 1.00 0.00 N ATOM 607 CA PRO A 41 0.152 -6.484 12.810 1.00 0.00 C ATOM 608 C PRO A 41 -0.747 -6.168 14.008 1.00 0.00 C ATOM 609 O PRO A 41 -1.867 -5.681 13.847 1.00 0.00 O ATOM 610 CB PRO A 41 -0.037 -7.930 12.348 1.00 0.00 C ATOM 611 CG PRO A 41 1.211 -8.652 12.726 1.00 0.00 C ATOM 612 CD PRO A 41 2.291 -7.628 12.817 1.00 0.00 C ATOM 0 HA PRO A 41 -0.136 -5.753 12.055 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.907 -8.381 12.825 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.203 -7.977 11.272 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.086 -9.167 13.678 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.459 -9.410 11.983 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.010 -7.875 13.598 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.848 -7.552 11.883 1.00 0.00 H new ATOM 620 N SER A 42 -0.230 -6.387 15.204 1.00 0.00 N ATOM 621 CA SER A 42 -0.985 -6.146 16.424 1.00 0.00 C ATOM 622 C SER A 42 -1.213 -4.636 16.624 1.00 0.00 C ATOM 623 O SER A 42 -2.257 -4.209 17.104 1.00 0.00 O ATOM 624 CB SER A 42 -0.215 -6.718 17.603 1.00 0.00 C ATOM 625 OG SER A 42 0.309 -8.005 17.261 1.00 0.00 O ATOM 0 H SER A 42 0.717 -6.734 15.358 1.00 0.00 H new ATOM 0 HA SER A 42 -1.958 -6.632 16.350 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.598 -6.046 17.879 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.869 -6.800 18.471 1.00 0.00 H new ATOM 0 HG SER A 42 1.230 -7.908 16.939 1.00 0.00 H new ATOM 631 N GLN A 43 -0.253 -3.838 16.184 1.00 0.00 N ATOM 632 CA GLN A 43 -0.313 -2.397 16.386 1.00 0.00 C ATOM 633 C GLN A 43 -0.487 -1.679 15.068 1.00 0.00 C ATOM 634 O GLN A 43 -0.398 -0.458 14.986 1.00 0.00 O ATOM 635 CB GLN A 43 0.951 -1.919 17.109 1.00 0.00 C ATOM 636 CG GLN A 43 2.248 -2.132 16.365 1.00 0.00 C ATOM 637 CD GLN A 43 3.364 -2.579 17.281 1.00 0.00 C ATOM 638 OE1 GLN A 43 3.037 -3.431 18.221 1.00 0.00 O flip ATOM 639 NE2 GLN A 43 4.529 -2.240 17.071 1.00 0.00 N flip ATOM 0 H GLN A 43 0.576 -4.162 15.686 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.178 -2.164 17.007 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.846 -0.855 17.322 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.015 -2.432 18.069 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.099 -2.879 15.585 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.537 -1.206 15.869 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.740 -1.573 16.328 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.283 -2.626 17.640 1.00 0.00 H new ATOM 648 N ASN A 44 -0.723 -2.432 14.040 1.00 0.00 N ATOM 649 CA ASN A 44 -0.896 -1.857 12.726 1.00 0.00 C ATOM 650 C ASN A 44 -2.308 -1.835 12.263 1.00 0.00 C ATOM 651 O ASN A 44 -3.053 -2.781 12.477 1.00 0.00 O ATOM 652 CB ASN A 44 -0.021 -2.487 11.680 1.00 0.00 C ATOM 653 CG ASN A 44 1.329 -1.794 11.556 1.00 0.00 C ATOM 654 OD1 ASN A 44 1.858 -1.693 10.481 1.00 0.00 O ATOM 655 ND2 ASN A 44 1.886 -1.321 12.648 1.00 0.00 N ATOM 0 H ASN A 44 -0.802 -3.448 14.076 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.577 -0.823 12.853 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.134 -3.538 11.925 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.531 -2.457 10.717 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.791 -0.853 12.597 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.413 -1.421 13.546 1.00 0.00 H new ATOM 662 N PRO A 45 -2.682 -0.760 11.573 1.00 0.00 N ATOM 663 CA PRO A 45 -4.050 -0.542 11.101 1.00 0.00 C ATOM 664 C PRO A 45 -4.466 -1.529 10.014 1.00 0.00 C ATOM 665 O PRO A 45 -5.476 -2.210 10.123 1.00 0.00 O ATOM 666 CB PRO A 45 -3.981 0.874 10.515 1.00 0.00 C ATOM 667 CG PRO A 45 -2.548 1.064 10.142 1.00 0.00 C ATOM 668 CD PRO A 45 -1.777 0.355 11.183 1.00 0.00 C ATOM 0 HA PRO A 45 -4.781 -0.674 11.899 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.632 0.975 9.647 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.302 1.619 11.243 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.342 0.655 9.153 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.287 2.122 10.111 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.826 -0.013 10.799 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.550 1.004 12.029 1.00 0.00 H new ATOM 676 N PHE A 46 -3.646 -1.638 8.995 1.00 0.00 N ATOM 677 CA PHE A 46 -3.984 -2.425 7.836 1.00 0.00 C ATOM 678 C PHE A 46 -3.141 -3.664 7.793 1.00 0.00 C ATOM 679 O PHE A 46 -2.878 -4.211 6.732 1.00 0.00 O ATOM 680 CB PHE A 46 -3.776 -1.590 6.571 1.00 0.00 C ATOM 681 CG PHE A 46 -4.482 -0.273 6.634 1.00 0.00 C ATOM 682 CD1 PHE A 46 -5.855 -0.188 6.484 1.00 0.00 C ATOM 683 CD2 PHE A 46 -3.771 0.875 6.881 1.00 0.00 C ATOM 684 CE1 PHE A 46 -6.494 1.032 6.578 1.00 0.00 C ATOM 685 CE2 PHE A 46 -4.401 2.090 6.980 1.00 0.00 C ATOM 686 CZ PHE A 46 -5.756 2.172 6.829 1.00 0.00 C ATOM 0 H PHE A 46 -2.733 -1.187 8.947 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.031 -2.723 7.894 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.710 -1.421 6.422 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.134 -2.150 5.707 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.430 -1.082 6.292 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.699 0.821 6.999 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -7.565 1.095 6.456 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.825 2.982 7.177 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.251 3.129 6.906 1.00 0.00 H new ATOM 696 N SER A 47 -2.705 -4.097 8.940 1.00 0.00 N ATOM 697 CA SER A 47 -1.936 -5.308 9.017 1.00 0.00 C ATOM 698 C SER A 47 -2.605 -6.262 9.987 1.00 0.00 C ATOM 699 O SER A 47 -2.254 -7.431 10.069 1.00 0.00 O ATOM 700 CB SER A 47 -0.549 -4.968 9.509 1.00 0.00 C ATOM 701 OG SER A 47 0.360 -6.059 9.396 1.00 0.00 O ATOM 0 H SER A 47 -2.867 -3.632 9.833 1.00 0.00 H new ATOM 0 HA SER A 47 -1.873 -5.780 8.036 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.165 -4.121 8.941 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.605 -4.654 10.551 1.00 0.00 H new ATOM 0 HG SER A 47 0.079 -6.644 8.661 1.00 0.00 H new ATOM 707 N GLU A 48 -3.640 -5.768 10.658 1.00 0.00 N ATOM 708 CA GLU A 48 -4.264 -6.502 11.751 1.00 0.00 C ATOM 709 C GLU A 48 -5.160 -7.634 11.252 1.00 0.00 C ATOM 710 O GLU A 48 -5.726 -8.392 12.052 1.00 0.00 O ATOM 711 CB GLU A 48 -5.081 -5.582 12.644 1.00 0.00 C ATOM 712 CG GLU A 48 -6.214 -4.878 11.936 1.00 0.00 C ATOM 713 CD GLU A 48 -7.156 -4.239 12.901 1.00 0.00 C ATOM 714 OE1 GLU A 48 -6.913 -3.109 13.330 1.00 0.00 O ATOM 715 OE2 GLU A 48 -8.166 -4.870 13.265 1.00 0.00 O ATOM 0 H GLU A 48 -4.064 -4.861 10.463 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.446 -6.935 12.327 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.490 -6.164 13.470 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.418 -4.834 13.079 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.809 -4.119 11.266 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.756 -5.593 11.317 1.00 0.00 H new ATOM 722 N ASP A 49 -5.303 -7.695 9.937 1.00 0.00 N ATOM 723 CA ASP A 49 -6.095 -8.686 9.203 1.00 0.00 C ATOM 724 C ASP A 49 -5.768 -10.070 9.719 1.00 0.00 C ATOM 725 O ASP A 49 -6.641 -10.848 10.112 1.00 0.00 O ATOM 726 CB ASP A 49 -5.674 -8.665 7.724 1.00 0.00 C ATOM 727 CG ASP A 49 -5.702 -7.310 7.066 1.00 0.00 C ATOM 728 OD1 ASP A 49 -4.978 -6.397 7.517 1.00 0.00 O ATOM 729 OD2 ASP A 49 -6.334 -7.152 6.020 1.00 0.00 O ATOM 0 H ASP A 49 -4.850 -7.024 9.317 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.153 -8.455 9.326 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.664 -9.068 7.645 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.329 -9.335 7.167 1.00 0.00 H new ATOM 734 N LYS A 50 -4.492 -10.331 9.722 1.00 0.00 N ATOM 735 CA LYS A 50 -3.876 -11.572 10.133 1.00 0.00 C ATOM 736 C LYS A 50 -2.542 -11.130 10.696 1.00 0.00 C ATOM 737 O LYS A 50 -2.450 -10.047 11.252 1.00 0.00 O ATOM 738 CB LYS A 50 -3.642 -12.505 8.895 1.00 0.00 C ATOM 739 CG LYS A 50 -4.902 -12.888 8.110 1.00 0.00 C ATOM 740 CD LYS A 50 -4.628 -13.867 6.948 1.00 0.00 C ATOM 741 CE LYS A 50 -3.703 -13.289 5.871 1.00 0.00 C ATOM 742 NZ LYS A 50 -4.265 -12.090 5.192 1.00 0.00 N ATOM 0 H LYS A 50 -3.805 -9.641 9.419 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.486 -12.133 10.842 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.948 -12.011 8.215 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.156 -13.419 9.237 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.623 -13.339 8.792 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.362 -11.983 7.712 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.183 -14.778 7.348 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.576 -14.149 6.489 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.748 -13.026 6.326 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.500 -14.058 5.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.504 -11.583 4.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.987 -12.387 4.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.697 -11.461 5.899 1.00 0.00 H new ATOM 756 N THR A 51 -1.529 -11.921 10.558 1.00 0.00 N ATOM 757 CA THR A 51 -0.189 -11.504 10.903 1.00 0.00 C ATOM 758 C THR A 51 0.530 -11.093 9.600 1.00 0.00 C ATOM 759 O THR A 51 1.760 -10.993 9.512 1.00 0.00 O ATOM 760 CB THR A 51 0.512 -12.662 11.606 1.00 0.00 C ATOM 761 OG1 THR A 51 0.316 -13.866 10.835 1.00 0.00 O ATOM 762 CG2 THR A 51 -0.092 -12.850 12.983 1.00 0.00 C ATOM 0 H THR A 51 -1.596 -12.875 10.204 1.00 0.00 H new ATOM 0 HA THR A 51 -0.187 -10.651 11.582 1.00 0.00 H new ATOM 0 HB THR A 51 1.577 -12.449 11.699 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.765 -14.615 11.279 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.406 -13.677 13.489 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.038 -11.937 13.565 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.155 -13.071 12.887 1.00 0.00 H new ATOM 770 N ASP A 52 -0.316 -10.788 8.635 1.00 0.00 N ATOM 771 CA ASP A 52 0.002 -10.498 7.248 1.00 0.00 C ATOM 772 C ASP A 52 0.638 -9.135 7.101 1.00 0.00 C ATOM 773 O ASP A 52 -0.027 -8.097 7.277 1.00 0.00 O ATOM 774 CB ASP A 52 -1.312 -10.543 6.484 1.00 0.00 C ATOM 775 CG ASP A 52 -1.210 -10.458 4.985 1.00 0.00 C ATOM 776 OD1 ASP A 52 -0.121 -10.650 4.421 1.00 0.00 O ATOM 777 OD2 ASP A 52 -2.273 -10.311 4.344 1.00 0.00 O ATOM 0 H ASP A 52 -1.319 -10.732 8.812 1.00 0.00 H new ATOM 0 HA ASP A 52 0.718 -11.225 6.864 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.827 -11.469 6.741 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.939 -9.723 6.832 1.00 0.00 H new ATOM 782 N LYS A 53 1.913 -9.138 6.848 1.00 0.00 N ATOM 783 CA LYS A 53 2.653 -7.932 6.663 1.00 0.00 C ATOM 784 C LYS A 53 3.091 -7.750 5.224 1.00 0.00 C ATOM 785 O LYS A 53 2.997 -8.659 4.395 1.00 0.00 O ATOM 786 CB LYS A 53 3.849 -7.917 7.574 1.00 0.00 C ATOM 787 CG LYS A 53 3.469 -7.980 9.026 1.00 0.00 C ATOM 788 CD LYS A 53 4.672 -8.088 9.910 1.00 0.00 C ATOM 789 CE LYS A 53 5.445 -9.386 9.692 1.00 0.00 C ATOM 790 NZ LYS A 53 4.603 -10.603 9.877 1.00 0.00 N ATOM 0 H LYS A 53 2.471 -9.988 6.764 1.00 0.00 H new ATOM 0 HA LYS A 53 1.994 -7.100 6.912 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.495 -8.762 7.334 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.428 -7.012 7.393 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.901 -7.089 9.292 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.816 -8.836 9.194 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.332 -7.241 9.724 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.359 -8.026 10.952 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.862 -9.389 8.685 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.285 -9.423 10.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.192 -11.453 9.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.184 -10.594 10.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.845 -10.612 9.165 1.00 0.00 H new ATOM 804 N GLY A 54 3.599 -6.597 4.977 1.00 0.00 N ATOM 805 CA GLY A 54 4.005 -6.160 3.656 1.00 0.00 C ATOM 806 C GLY A 54 3.702 -4.715 3.595 1.00 0.00 C ATOM 807 O GLY A 54 3.075 -4.251 4.467 1.00 0.00 O ATOM 0 H GLY A 54 3.756 -5.896 5.701 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.067 -6.343 3.494 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.465 -6.705 2.882 1.00 0.00 H new ATOM 811 N ILE A 55 4.169 -3.997 2.642 1.00 0.00 N ATOM 812 CA ILE A 55 3.901 -2.584 2.603 1.00 0.00 C ATOM 813 C ILE A 55 2.459 -2.328 2.190 1.00 0.00 C ATOM 814 O ILE A 55 2.025 -2.707 1.108 1.00 0.00 O ATOM 815 CB ILE A 55 4.908 -1.837 1.690 1.00 0.00 C ATOM 816 CG1 ILE A 55 6.332 -2.035 2.214 1.00 0.00 C ATOM 817 CG2 ILE A 55 4.585 -0.348 1.599 1.00 0.00 C ATOM 818 CD1 ILE A 55 6.600 -1.396 3.533 1.00 0.00 C ATOM 0 H ILE A 55 4.739 -4.351 1.874 1.00 0.00 H new ATOM 0 HA ILE A 55 4.036 -2.183 3.608 1.00 0.00 H new ATOM 0 HB ILE A 55 4.828 -2.256 0.687 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.530 -3.104 2.295 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.034 -1.636 1.482 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.311 0.143 0.951 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.584 -0.217 1.187 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.628 0.095 2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.632 -1.587 3.827 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.438 -0.321 3.456 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.926 -1.812 4.282 1.00 0.00 H new ATOM 830 N TYR A 56 1.715 -1.756 3.094 1.00 0.00 N ATOM 831 CA TYR A 56 0.345 -1.425 2.857 1.00 0.00 C ATOM 832 C TYR A 56 0.166 0.041 2.884 1.00 0.00 C ATOM 833 O TYR A 56 0.927 0.760 3.538 1.00 0.00 O ATOM 834 CB TYR A 56 -0.608 -2.125 3.844 1.00 0.00 C ATOM 835 CG TYR A 56 0.055 -2.459 5.146 1.00 0.00 C ATOM 836 CD1 TYR A 56 0.399 -1.481 6.063 1.00 0.00 C ATOM 837 CD2 TYR A 56 0.415 -3.755 5.409 1.00 0.00 C ATOM 838 CE1 TYR A 56 1.077 -1.805 7.214 1.00 0.00 C ATOM 839 CE2 TYR A 56 1.103 -4.089 6.537 1.00 0.00 C ATOM 840 CZ TYR A 56 1.432 -3.119 7.445 1.00 0.00 C ATOM 841 OH TYR A 56 2.163 -3.453 8.556 1.00 0.00 O ATOM 0 H TYR A 56 2.049 -1.505 4.025 1.00 0.00 H new ATOM 0 HA TYR A 56 0.082 -1.793 1.865 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.467 -1.481 4.033 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.989 -3.039 3.389 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.132 -0.452 5.872 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.147 -4.530 4.706 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.330 -1.038 7.931 1.00 0.00 H new ATOM 0 HE2 TYR A 56 1.388 -5.116 6.714 1.00 0.00 H new ATOM 0 HH TYR A 56 1.801 -2.987 9.338 1.00 0.00 H new ATOM 851 N VAL A 57 -0.798 0.475 2.166 1.00 0.00 N ATOM 852 CA VAL A 57 -1.105 1.858 2.041 1.00 0.00 C ATOM 853 C VAL A 57 -1.951 2.342 3.203 1.00 0.00 C ATOM 854 O VAL A 57 -2.975 1.744 3.531 1.00 0.00 O ATOM 855 CB VAL A 57 -1.825 2.112 0.718 1.00 0.00 C ATOM 856 CG1 VAL A 57 -2.208 3.534 0.579 1.00 0.00 C ATOM 857 CG2 VAL A 57 -0.943 1.713 -0.418 1.00 0.00 C ATOM 0 H VAL A 57 -1.417 -0.134 1.631 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.170 2.418 2.055 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.736 1.514 0.705 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.718 3.682 -0.373 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.874 3.813 1.395 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.314 4.157 0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.459 1.895 -1.361 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.024 2.299 -0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.701 0.653 -0.336 1.00 0.00 H new ATOM 867 N THR A 58 -1.519 3.414 3.818 1.00 0.00 N ATOM 868 CA THR A 58 -2.213 3.987 4.937 1.00 0.00 C ATOM 869 C THR A 58 -2.928 5.284 4.553 1.00 0.00 C ATOM 870 O THR A 58 -3.798 5.778 5.288 1.00 0.00 O ATOM 871 CB THR A 58 -1.222 4.236 6.072 1.00 0.00 C ATOM 872 OG1 THR A 58 -0.046 4.858 5.531 1.00 0.00 O ATOM 873 CG2 THR A 58 -0.858 2.929 6.755 1.00 0.00 C ATOM 0 H THR A 58 -0.671 3.915 3.553 1.00 0.00 H new ATOM 0 HA THR A 58 -2.977 3.284 5.267 1.00 0.00 H new ATOM 0 HB THR A 58 -1.676 4.891 6.815 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.657 4.879 6.214 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.151 3.124 7.561 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.758 2.470 7.165 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.404 2.254 6.030 1.00 0.00 H new ATOM 881 N ARG A 59 -2.570 5.836 3.409 1.00 0.00 N ATOM 882 CA ARG A 59 -3.170 7.064 2.928 1.00 0.00 C ATOM 883 C ARG A 59 -3.085 7.031 1.442 1.00 0.00 C ATOM 884 O ARG A 59 -2.121 6.537 0.929 1.00 0.00 O ATOM 885 CB ARG A 59 -2.324 8.208 3.383 1.00 0.00 C ATOM 886 CG ARG A 59 -3.004 9.560 3.483 1.00 0.00 C ATOM 887 CD ARG A 59 -2.036 10.586 4.065 1.00 0.00 C ATOM 888 NE ARG A 59 -1.608 10.219 5.433 1.00 0.00 N ATOM 889 CZ ARG A 59 -0.352 10.287 5.917 1.00 0.00 C ATOM 890 NH1 ARG A 59 0.665 10.595 5.127 1.00 0.00 N ATOM 891 NH2 ARG A 59 -0.126 10.004 7.188 1.00 0.00 N ATOM 0 H ARG A 59 -1.858 5.447 2.790 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.195 7.167 3.285 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.914 7.960 4.362 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.481 8.301 2.699 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.340 9.882 2.497 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.891 9.485 4.113 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.161 10.668 3.420 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.512 11.566 4.083 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.331 9.883 6.069 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.503 10.785 4.138 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.610 10.643 5.508 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.900 9.736 7.796 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.822 10.053 7.561 1.00 0.00 H new ATOM 905 N VAL A 60 -4.047 7.559 0.774 1.00 0.00 N ATOM 906 CA VAL A 60 -4.046 7.647 -0.665 1.00 0.00 C ATOM 907 C VAL A 60 -4.464 9.040 -1.005 1.00 0.00 C ATOM 908 O VAL A 60 -5.179 9.673 -0.218 1.00 0.00 O ATOM 909 CB VAL A 60 -4.976 6.564 -1.388 1.00 0.00 C ATOM 910 CG1 VAL A 60 -5.222 6.869 -2.838 1.00 0.00 C ATOM 911 CG2 VAL A 60 -4.373 5.201 -1.292 1.00 0.00 C ATOM 0 H VAL A 60 -4.880 7.954 1.210 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.046 7.421 -1.035 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.932 6.602 -0.865 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.859 6.097 -3.269 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.714 7.837 -2.928 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.271 6.894 -3.371 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.022 4.480 -1.790 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.395 5.201 -1.773 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.262 4.925 -0.243 1.00 0.00 H new ATOM 921 N SER A 61 -3.955 9.539 -2.105 1.00 0.00 N ATOM 922 CA SER A 61 -4.282 10.805 -2.622 1.00 0.00 C ATOM 923 C SER A 61 -5.790 10.928 -2.755 1.00 0.00 C ATOM 924 O SER A 61 -6.421 10.044 -3.317 1.00 0.00 O ATOM 925 CB SER A 61 -3.657 10.853 -3.981 1.00 0.00 C ATOM 926 OG SER A 61 -3.975 9.665 -4.691 1.00 0.00 O ATOM 0 H SER A 61 -3.274 9.036 -2.674 1.00 0.00 H new ATOM 0 HA SER A 61 -3.931 11.612 -1.979 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.018 11.724 -4.528 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.576 10.958 -3.892 1.00 0.00 H new ATOM 0 HG SER A 61 -4.901 9.407 -4.499 1.00 0.00 H new ATOM 932 N GLU A 62 -6.343 11.983 -2.220 1.00 0.00 N ATOM 933 CA GLU A 62 -7.780 12.237 -2.285 1.00 0.00 C ATOM 934 C GLU A 62 -8.219 12.640 -3.703 1.00 0.00 C ATOM 935 O GLU A 62 -9.408 12.689 -4.012 1.00 0.00 O ATOM 936 CB GLU A 62 -8.172 13.323 -1.287 1.00 0.00 C ATOM 937 CG GLU A 62 -7.499 14.662 -1.550 1.00 0.00 C ATOM 938 CD GLU A 62 -7.926 15.734 -0.572 1.00 0.00 C ATOM 939 OE1 GLU A 62 -9.017 16.318 -0.746 1.00 0.00 O ATOM 940 OE2 GLU A 62 -7.173 16.025 0.380 1.00 0.00 O ATOM 0 H GLU A 62 -5.818 12.701 -1.722 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.292 11.310 -2.026 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.253 13.457 -1.315 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.918 12.989 -0.281 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.418 14.537 -1.496 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.732 14.988 -2.564 1.00 0.00 H new ATOM 947 N GLY A 63 -7.261 12.959 -4.526 1.00 0.00 N ATOM 948 CA GLY A 63 -7.530 13.311 -5.887 1.00 0.00 C ATOM 949 C GLY A 63 -6.270 13.261 -6.689 1.00 0.00 C ATOM 950 O GLY A 63 -5.992 14.146 -7.504 1.00 0.00 O ATOM 0 H GLY A 63 -6.274 12.982 -4.271 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.266 12.627 -6.309 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.961 14.311 -5.934 1.00 0.00 H new ATOM 954 N GLY A 64 -5.483 12.249 -6.438 1.00 0.00 N ATOM 955 CA GLY A 64 -4.220 12.101 -7.108 1.00 0.00 C ATOM 956 C GLY A 64 -4.135 10.810 -7.886 1.00 0.00 C ATOM 957 O GLY A 64 -5.116 10.067 -7.945 1.00 0.00 O ATOM 0 H GLY A 64 -5.697 11.510 -5.769 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.069 12.942 -7.785 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.415 12.134 -6.374 1.00 0.00 H new ATOM 961 N PRO A 65 -2.930 10.458 -8.375 1.00 0.00 N ATOM 962 CA PRO A 65 -2.723 9.330 -9.303 1.00 0.00 C ATOM 963 C PRO A 65 -3.068 7.999 -8.677 1.00 0.00 C ATOM 964 O PRO A 65 -3.547 7.093 -9.349 1.00 0.00 O ATOM 965 CB PRO A 65 -1.225 9.381 -9.602 1.00 0.00 C ATOM 966 CG PRO A 65 -0.630 10.089 -8.443 1.00 0.00 C ATOM 967 CD PRO A 65 -1.657 11.077 -7.996 1.00 0.00 C ATOM 0 HA PRO A 65 -3.359 9.416 -10.184 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.809 8.379 -9.709 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.026 9.911 -10.534 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.385 9.391 -7.643 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.297 10.589 -8.724 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.602 11.252 -6.922 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.521 12.042 -8.483 1.00 0.00 H new ATOM 975 N ALA A 66 -2.848 7.902 -7.380 1.00 0.00 N ATOM 976 CA ALA A 66 -3.094 6.695 -6.652 1.00 0.00 C ATOM 977 C ALA A 66 -4.553 6.271 -6.765 1.00 0.00 C ATOM 978 O ALA A 66 -4.838 5.181 -7.272 1.00 0.00 O ATOM 979 CB ALA A 66 -2.632 6.841 -5.214 1.00 0.00 C ATOM 0 H ALA A 66 -2.492 8.668 -6.809 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.508 5.890 -7.096 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.826 5.914 -4.674 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.563 7.055 -5.195 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.174 7.659 -4.739 1.00 0.00 H new ATOM 985 N GLU A 67 -5.484 7.133 -6.372 1.00 0.00 N ATOM 986 CA GLU A 67 -6.892 6.766 -6.488 1.00 0.00 C ATOM 987 C GLU A 67 -7.402 6.850 -7.929 1.00 0.00 C ATOM 988 O GLU A 67 -8.388 6.206 -8.271 1.00 0.00 O ATOM 989 CB GLU A 67 -7.803 7.557 -5.572 1.00 0.00 C ATOM 990 CG GLU A 67 -7.818 9.052 -5.796 1.00 0.00 C ATOM 991 CD GLU A 67 -9.119 9.618 -5.326 1.00 0.00 C ATOM 992 OE1 GLU A 67 -9.393 9.583 -4.117 1.00 0.00 O ATOM 993 OE2 GLU A 67 -9.919 10.057 -6.176 1.00 0.00 O ATOM 0 H GLU A 67 -5.301 8.058 -5.984 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.930 5.726 -6.165 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.819 7.180 -5.687 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.507 7.365 -4.541 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.992 9.518 -5.259 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.675 9.273 -6.854 1.00 0.00 H new ATOM 1000 N ILE A 68 -6.756 7.667 -8.752 1.00 0.00 N ATOM 1001 CA ILE A 68 -7.108 7.764 -10.164 1.00 0.00 C ATOM 1002 C ILE A 68 -6.855 6.424 -10.857 1.00 0.00 C ATOM 1003 O ILE A 68 -7.651 5.975 -11.706 1.00 0.00 O ATOM 1004 CB ILE A 68 -6.332 8.924 -10.872 1.00 0.00 C ATOM 1005 CG1 ILE A 68 -6.860 10.297 -10.419 1.00 0.00 C ATOM 1006 CG2 ILE A 68 -6.351 8.813 -12.397 1.00 0.00 C ATOM 1007 CD1 ILE A 68 -8.331 10.542 -10.709 1.00 0.00 C ATOM 0 H ILE A 68 -5.986 8.272 -8.467 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.169 8.001 -10.238 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.290 8.828 -10.565 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.694 10.398 -9.347 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.273 11.075 -10.907 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.796 9.646 -12.829 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.889 7.873 -12.699 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.382 8.841 -12.751 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.611 11.534 -10.355 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.506 10.478 -11.783 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.933 9.790 -10.198 1.00 0.00 H new ATOM 1019 N ALA A 69 -5.766 5.785 -10.491 1.00 0.00 N ATOM 1020 CA ALA A 69 -5.452 4.492 -11.018 1.00 0.00 C ATOM 1021 C ALA A 69 -6.319 3.422 -10.377 1.00 0.00 C ATOM 1022 O ALA A 69 -7.031 2.699 -11.072 1.00 0.00 O ATOM 1023 CB ALA A 69 -4.004 4.183 -10.818 1.00 0.00 C ATOM 0 H ALA A 69 -5.084 6.150 -9.826 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.659 4.501 -12.088 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.783 3.196 -11.225 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.398 4.931 -11.330 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.773 4.197 -9.753 1.00 0.00 H new ATOM 1029 N GLY A 70 -6.273 3.329 -9.062 1.00 0.00 N ATOM 1030 CA GLY A 70 -7.088 2.342 -8.378 1.00 0.00 C ATOM 1031 C GLY A 70 -6.497 1.885 -7.068 1.00 0.00 C ATOM 1032 O GLY A 70 -6.773 0.784 -6.610 1.00 0.00 O ATOM 0 H GLY A 70 -5.694 3.910 -8.456 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.077 2.761 -8.196 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.223 1.478 -9.029 1.00 0.00 H new ATOM 1036 N LEU A 71 -5.679 2.714 -6.477 1.00 0.00 N ATOM 1037 CA LEU A 71 -5.078 2.409 -5.207 1.00 0.00 C ATOM 1038 C LEU A 71 -5.933 2.948 -4.108 1.00 0.00 C ATOM 1039 O LEU A 71 -6.272 4.127 -4.113 1.00 0.00 O ATOM 1040 CB LEU A 71 -3.651 2.973 -5.159 1.00 0.00 C ATOM 1041 CG LEU A 71 -2.837 2.832 -3.872 1.00 0.00 C ATOM 1042 CD1 LEU A 71 -3.104 1.483 -3.246 1.00 0.00 C ATOM 1043 CD2 LEU A 71 -1.403 2.829 -4.271 1.00 0.00 C ATOM 0 H LEU A 71 -5.411 3.619 -6.862 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.008 1.329 -5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.084 2.499 -5.960 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.710 4.035 -5.396 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.091 3.633 -3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.522 1.386 -2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.165 1.393 -3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.817 0.695 -3.943 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.778 2.730 -3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.214 1.992 -4.943 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.165 3.763 -4.780 1.00 0.00 H new ATOM 1055 N GLN A 72 -6.318 2.088 -3.203 1.00 0.00 N ATOM 1056 CA GLN A 72 -7.140 2.455 -2.100 1.00 0.00 C ATOM 1057 C GLN A 72 -6.365 2.235 -0.829 1.00 0.00 C ATOM 1058 O GLN A 72 -5.387 1.488 -0.794 1.00 0.00 O ATOM 1059 CB GLN A 72 -8.436 1.620 -2.075 1.00 0.00 C ATOM 1060 CG GLN A 72 -9.262 1.712 -3.350 1.00 0.00 C ATOM 1061 CD GLN A 72 -9.818 3.102 -3.612 1.00 0.00 C ATOM 1062 OE1 GLN A 72 -9.007 3.947 -4.170 1.00 0.00 O flip ATOM 1063 NE2 GLN A 72 -10.948 3.427 -3.225 1.00 0.00 N flip ATOM 0 H GLN A 72 -6.061 1.101 -3.219 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.419 3.504 -2.196 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.179 0.576 -1.897 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.049 1.946 -1.234 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.645 1.411 -4.196 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -10.088 1.004 -3.290 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.557 2.734 -2.791 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.270 4.388 -3.341 1.00 0.00 H new ATOM 1072 N ILE A 73 -6.755 2.910 0.185 1.00 0.00 N ATOM 1073 CA ILE A 73 -6.135 2.735 1.479 1.00 0.00 C ATOM 1074 C ILE A 73 -6.385 1.299 1.991 1.00 0.00 C ATOM 1075 O ILE A 73 -7.480 0.748 1.815 1.00 0.00 O ATOM 1076 CB ILE A 73 -6.651 3.794 2.489 1.00 0.00 C ATOM 1077 CG1 ILE A 73 -6.294 5.195 1.993 1.00 0.00 C ATOM 1078 CG2 ILE A 73 -6.055 3.565 3.860 1.00 0.00 C ATOM 1079 CD1 ILE A 73 -6.759 6.314 2.891 1.00 0.00 C ATOM 0 H ILE A 73 -7.506 3.599 0.162 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.060 2.882 1.378 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.734 3.701 2.567 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.212 5.262 1.881 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.727 5.337 1.003 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.431 4.319 4.551 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.335 2.574 4.217 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.969 3.636 3.801 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.463 7.271 2.462 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.844 6.278 2.985 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.306 6.202 3.876 1.00 0.00 H new ATOM 1091 N GLY A 74 -5.362 0.682 2.550 1.00 0.00 N ATOM 1092 CA GLY A 74 -5.491 -0.666 3.045 1.00 0.00 C ATOM 1093 C GLY A 74 -4.990 -1.681 2.051 1.00 0.00 C ATOM 1094 O GLY A 74 -5.011 -2.890 2.319 1.00 0.00 O ATOM 0 H GLY A 74 -4.437 1.095 2.670 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.934 -0.765 3.977 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.537 -0.869 3.275 1.00 0.00 H new ATOM 1098 N ASP A 75 -4.525 -1.200 0.904 1.00 0.00 N ATOM 1099 CA ASP A 75 -4.014 -2.074 -0.123 1.00 0.00 C ATOM 1100 C ASP A 75 -2.664 -2.587 0.247 1.00 0.00 C ATOM 1101 O ASP A 75 -1.754 -1.807 0.564 1.00 0.00 O ATOM 1102 CB ASP A 75 -3.970 -1.402 -1.505 1.00 0.00 C ATOM 1103 CG ASP A 75 -5.276 -1.514 -2.265 1.00 0.00 C ATOM 1104 OD1 ASP A 75 -5.890 -2.575 -2.212 1.00 0.00 O ATOM 1105 OD2 ASP A 75 -5.721 -0.538 -2.904 1.00 0.00 O ATOM 0 H ASP A 75 -4.495 -0.208 0.670 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.708 -2.911 -0.196 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.718 -0.349 -1.382 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -3.173 -1.853 -2.096 1.00 0.00 H new ATOM 1110 N LYS A 76 -2.548 -3.892 0.284 1.00 0.00 N ATOM 1111 CA LYS A 76 -1.294 -4.537 0.559 1.00 0.00 C ATOM 1112 C LYS A 76 -0.577 -4.737 -0.743 1.00 0.00 C ATOM 1113 O LYS A 76 -1.014 -5.525 -1.607 1.00 0.00 O ATOM 1114 CB LYS A 76 -1.491 -5.855 1.309 1.00 0.00 C ATOM 1115 CG LYS A 76 -2.033 -5.670 2.720 1.00 0.00 C ATOM 1116 CD LYS A 76 -2.229 -6.998 3.424 1.00 0.00 C ATOM 1117 CE LYS A 76 -2.670 -6.810 4.871 1.00 0.00 C ATOM 1118 NZ LYS A 76 -3.940 -6.038 4.995 1.00 0.00 N ATOM 0 H LYS A 76 -3.323 -4.535 0.124 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.691 -3.908 1.214 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.176 -6.488 0.744 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.538 -6.382 1.359 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.345 -5.051 3.296 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.983 -5.137 2.678 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.975 -7.586 2.890 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.298 -7.564 3.398 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.798 -7.787 5.336 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.883 -6.295 5.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -4.035 -5.679 5.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.926 -5.238 4.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.746 -6.657 4.775 1.00 0.00 H new ATOM 1132 N ILE A 77 0.480 -4.006 -0.896 1.00 0.00 N ATOM 1133 CA ILE A 77 1.222 -3.948 -2.111 1.00 0.00 C ATOM 1134 C ILE A 77 2.186 -5.106 -2.193 1.00 0.00 C ATOM 1135 O ILE A 77 2.956 -5.362 -1.271 1.00 0.00 O ATOM 1136 CB ILE A 77 1.992 -2.641 -2.163 1.00 0.00 C ATOM 1137 CG1 ILE A 77 1.034 -1.496 -1.885 1.00 0.00 C ATOM 1138 CG2 ILE A 77 2.605 -2.476 -3.544 1.00 0.00 C ATOM 1139 CD1 ILE A 77 1.693 -0.311 -1.280 1.00 0.00 C ATOM 0 H ILE A 77 0.861 -3.416 -0.156 1.00 0.00 H new ATOM 0 HA ILE A 77 0.533 -4.006 -2.953 1.00 0.00 H new ATOM 0 HB ILE A 77 2.786 -2.643 -1.416 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.554 -1.199 -2.817 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.246 -1.845 -1.218 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.159 -1.538 -3.586 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.282 -3.307 -3.743 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.814 -2.464 -4.294 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.952 0.469 -1.108 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.150 -0.593 -0.331 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.462 0.062 -1.956 1.00 0.00 H new ATOM 1151 N MET A 78 2.146 -5.798 -3.289 1.00 0.00 N ATOM 1152 CA MET A 78 2.974 -6.961 -3.473 1.00 0.00 C ATOM 1153 C MET A 78 4.121 -6.656 -4.425 1.00 0.00 C ATOM 1154 O MET A 78 5.199 -7.243 -4.341 1.00 0.00 O ATOM 1155 CB MET A 78 2.156 -8.115 -4.066 1.00 0.00 C ATOM 1156 CG MET A 78 0.914 -8.596 -3.289 1.00 0.00 C ATOM 1157 SD MET A 78 1.240 -9.512 -1.749 1.00 0.00 S ATOM 1158 CE MET A 78 1.517 -8.207 -0.543 1.00 0.00 C ATOM 0 H MET A 78 1.543 -5.578 -4.082 1.00 0.00 H new ATOM 0 HA MET A 78 3.366 -7.244 -2.496 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.831 -7.816 -5.063 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.823 -8.968 -4.190 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.302 -7.727 -3.049 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.322 -9.231 -3.948 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.137 -8.523 0.429 1.00 0.00 H new ATOM 0 HE2 MET A 78 2.585 -8.003 -0.467 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.997 -7.303 -0.859 1.00 0.00 H new ATOM 1168 N GLN A 79 3.907 -5.705 -5.282 1.00 0.00 N ATOM 1169 CA GLN A 79 4.802 -5.454 -6.384 1.00 0.00 C ATOM 1170 C GLN A 79 4.731 -3.973 -6.788 1.00 0.00 C ATOM 1171 O GLN A 79 3.650 -3.417 -6.886 1.00 0.00 O ATOM 1172 CB GLN A 79 4.353 -6.432 -7.497 1.00 0.00 C ATOM 1173 CG GLN A 79 4.892 -6.265 -8.900 1.00 0.00 C ATOM 1174 CD GLN A 79 6.363 -6.154 -8.992 1.00 0.00 C ATOM 1175 OE1 GLN A 79 6.811 -4.966 -9.080 1.00 0.00 O flip ATOM 1176 NE2 GLN A 79 7.085 -7.131 -9.072 1.00 0.00 N flip ATOM 0 H GLN A 79 3.105 -5.076 -5.242 1.00 0.00 H new ATOM 0 HA GLN A 79 5.851 -5.627 -6.146 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.607 -7.440 -7.168 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.266 -6.381 -7.557 1.00 0.00 H new ATOM 0 HG2 GLN A 79 4.568 -7.114 -9.502 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.447 -5.373 -9.341 1.00 0.00 H new ATOM 0 HE21 GLN A 79 6.687 -8.067 -8.996 1.00 0.00 H new ATOM 0 HE22 GLN A 79 8.088 -7.014 -9.215 1.00 0.00 H new ATOM 1185 N VAL A 80 5.899 -3.342 -6.970 1.00 0.00 N ATOM 1186 CA VAL A 80 6.026 -1.918 -7.319 1.00 0.00 C ATOM 1187 C VAL A 80 7.084 -1.700 -8.410 1.00 0.00 C ATOM 1188 O VAL A 80 8.257 -1.945 -8.199 1.00 0.00 O ATOM 1189 CB VAL A 80 6.406 -1.054 -6.070 1.00 0.00 C ATOM 1190 CG1 VAL A 80 6.799 0.378 -6.442 1.00 0.00 C ATOM 1191 CG2 VAL A 80 5.278 -1.035 -5.076 1.00 0.00 C ATOM 0 H VAL A 80 6.799 -3.814 -6.878 1.00 0.00 H new ATOM 0 HA VAL A 80 5.052 -1.603 -7.693 1.00 0.00 H new ATOM 0 HB VAL A 80 7.280 -1.524 -5.619 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.053 0.932 -5.538 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.661 0.357 -7.109 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.964 0.866 -6.944 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.562 -0.429 -4.215 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.389 -0.609 -5.542 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.064 -2.053 -4.749 1.00 0.00 H new ATOM 1201 N ASN A 81 6.625 -1.303 -9.586 1.00 0.00 N ATOM 1202 CA ASN A 81 7.458 -0.902 -10.755 1.00 0.00 C ATOM 1203 C ASN A 81 8.526 -1.963 -11.128 1.00 0.00 C ATOM 1204 O ASN A 81 9.620 -1.636 -11.584 1.00 0.00 O ATOM 1205 CB ASN A 81 8.115 0.446 -10.464 1.00 0.00 C ATOM 1206 CG ASN A 81 8.405 1.294 -11.706 1.00 0.00 C ATOM 1207 OD1 ASN A 81 7.543 1.245 -12.708 1.00 0.00 O flip ATOM 1208 ND2 ASN A 81 9.382 2.009 -11.745 1.00 0.00 N flip ATOM 0 H ASN A 81 5.626 -1.242 -9.781 1.00 0.00 H new ATOM 0 HA ASN A 81 6.799 -0.819 -11.619 1.00 0.00 H new ATOM 0 HB2 ASN A 81 7.468 1.014 -9.795 1.00 0.00 H new ATOM 0 HB3 ASN A 81 9.050 0.272 -9.932 1.00 0.00 H new ATOM 0 HD21 ASN A 81 10.031 2.028 -10.959 1.00 0.00 H new ATOM 0 HD22 ASN A 81 9.555 2.592 -12.564 1.00 0.00 H new ATOM 1215 N GLY A 82 8.170 -3.221 -10.955 1.00 0.00 N ATOM 1216 CA GLY A 82 9.052 -4.332 -11.278 1.00 0.00 C ATOM 1217 C GLY A 82 9.836 -4.851 -10.080 1.00 0.00 C ATOM 1218 O GLY A 82 10.460 -5.914 -10.145 1.00 0.00 O ATOM 0 H GLY A 82 7.262 -3.505 -10.587 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.460 -5.146 -11.696 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.752 -4.017 -12.052 1.00 0.00 H new ATOM 1222 N TRP A 83 9.769 -4.130 -8.984 1.00 0.00 N ATOM 1223 CA TRP A 83 10.439 -4.509 -7.754 1.00 0.00 C ATOM 1224 C TRP A 83 9.416 -5.067 -6.739 1.00 0.00 C ATOM 1225 O TRP A 83 8.251 -4.671 -6.742 1.00 0.00 O ATOM 1226 CB TRP A 83 11.248 -3.289 -7.231 1.00 0.00 C ATOM 1227 CG TRP A 83 10.927 -2.786 -5.851 1.00 0.00 C ATOM 1228 CD1 TRP A 83 9.821 -2.099 -5.472 1.00 0.00 C ATOM 1229 CD2 TRP A 83 11.758 -2.873 -4.690 1.00 0.00 C ATOM 1230 NE1 TRP A 83 9.885 -1.800 -4.142 1.00 0.00 N ATOM 1231 CE2 TRP A 83 11.066 -2.251 -3.643 1.00 0.00 C ATOM 1232 CE3 TRP A 83 13.009 -3.432 -4.431 1.00 0.00 C ATOM 1233 CZ2 TRP A 83 11.579 -2.162 -2.363 1.00 0.00 C ATOM 1234 CZ3 TRP A 83 13.523 -3.343 -3.156 1.00 0.00 C ATOM 1235 CH2 TRP A 83 12.809 -2.711 -2.135 1.00 0.00 C ATOM 0 H TRP A 83 9.245 -3.257 -8.917 1.00 0.00 H new ATOM 0 HA TRP A 83 11.150 -5.317 -7.926 1.00 0.00 H new ATOM 0 HB2 TRP A 83 12.306 -3.550 -7.257 1.00 0.00 H new ATOM 0 HB3 TRP A 83 11.106 -2.466 -7.931 1.00 0.00 H new ATOM 0 HD1 TRP A 83 9.007 -1.828 -6.128 1.00 0.00 H new ATOM 0 HE1 TRP A 83 9.163 -1.316 -3.608 1.00 0.00 H new ATOM 0 HE3 TRP A 83 13.564 -3.925 -5.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 11.028 -1.676 -1.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 14.493 -3.768 -2.943 1.00 0.00 H new ATOM 0 HH2 TRP A 83 13.238 -2.655 -1.145 1.00 0.00 H new ATOM 1246 N ASP A 84 9.856 -5.957 -5.901 1.00 0.00 N ATOM 1247 CA ASP A 84 9.006 -6.654 -4.927 1.00 0.00 C ATOM 1248 C ASP A 84 8.653 -5.733 -3.785 1.00 0.00 C ATOM 1249 O ASP A 84 9.521 -5.052 -3.249 1.00 0.00 O ATOM 1250 CB ASP A 84 9.806 -7.831 -4.381 1.00 0.00 C ATOM 1251 CG ASP A 84 9.170 -8.635 -3.257 1.00 0.00 C ATOM 1252 OD1 ASP A 84 9.041 -8.123 -2.113 1.00 0.00 O ATOM 1253 OD2 ASP A 84 8.908 -9.835 -3.459 1.00 0.00 O ATOM 0 H ASP A 84 10.835 -6.239 -5.858 1.00 0.00 H new ATOM 0 HA ASP A 84 8.085 -6.985 -5.406 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.016 -8.510 -5.207 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.765 -7.454 -4.027 1.00 0.00 H new ATOM 1258 N MET A 85 7.405 -5.688 -3.419 1.00 0.00 N ATOM 1259 CA MET A 85 7.031 -4.917 -2.247 1.00 0.00 C ATOM 1260 C MET A 85 6.304 -5.798 -1.219 1.00 0.00 C ATOM 1261 O MET A 85 5.975 -5.375 -0.102 1.00 0.00 O ATOM 1262 CB MET A 85 6.237 -3.652 -2.626 1.00 0.00 C ATOM 1263 CG MET A 85 5.864 -2.791 -1.424 1.00 0.00 C ATOM 1264 SD MET A 85 5.614 -1.049 -1.787 1.00 0.00 S ATOM 1265 CE MET A 85 7.280 -0.569 -2.227 1.00 0.00 C ATOM 0 H MET A 85 6.637 -6.161 -3.896 1.00 0.00 H new ATOM 0 HA MET A 85 7.944 -4.563 -1.767 1.00 0.00 H new ATOM 0 HB2 MET A 85 6.827 -3.056 -3.322 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.327 -3.946 -3.150 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.951 -3.189 -0.980 1.00 0.00 H new ATOM 0 HG3 MET A 85 6.649 -2.881 -0.673 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.485 0.430 -1.842 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.988 -1.277 -1.796 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.384 -0.567 -3.312 1.00 0.00 H new ATOM 1275 N THR A 86 6.143 -7.052 -1.571 1.00 0.00 N ATOM 1276 CA THR A 86 5.447 -7.982 -0.713 1.00 0.00 C ATOM 1277 C THR A 86 6.251 -8.321 0.551 1.00 0.00 C ATOM 1278 O THR A 86 5.671 -8.689 1.570 1.00 0.00 O ATOM 1279 CB THR A 86 4.956 -9.266 -1.466 1.00 0.00 C ATOM 1280 OG1 THR A 86 4.476 -10.264 -0.551 1.00 0.00 O ATOM 1281 CG2 THR A 86 6.022 -9.852 -2.359 1.00 0.00 C ATOM 0 H THR A 86 6.484 -7.452 -2.445 1.00 0.00 H new ATOM 0 HA THR A 86 4.545 -7.466 -0.385 1.00 0.00 H new ATOM 0 HB THR A 86 4.129 -8.948 -2.100 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.499 -10.319 -0.610 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.632 -10.739 -2.858 1.00 0.00 H new ATOM 0 HG22 THR A 86 6.316 -9.115 -3.107 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.890 -10.125 -1.759 1.00 0.00 H new ATOM 1289 N MET A 87 7.560 -8.192 0.489 1.00 0.00 N ATOM 1290 CA MET A 87 8.381 -8.405 1.662 1.00 0.00 C ATOM 1291 C MET A 87 9.513 -7.394 1.691 1.00 0.00 C ATOM 1292 O MET A 87 10.608 -7.640 1.166 1.00 0.00 O ATOM 1293 CB MET A 87 8.909 -9.850 1.735 1.00 0.00 C ATOM 1294 CG MET A 87 9.769 -10.152 2.957 1.00 0.00 C ATOM 1295 SD MET A 87 10.397 -11.844 2.956 1.00 0.00 S ATOM 1296 CE MET A 87 11.378 -11.834 4.458 1.00 0.00 C ATOM 0 H MET A 87 8.075 -7.942 -0.355 1.00 0.00 H new ATOM 0 HA MET A 87 7.761 -8.256 2.546 1.00 0.00 H new ATOM 0 HB2 MET A 87 8.060 -10.534 1.727 1.00 0.00 H new ATOM 0 HB3 MET A 87 9.492 -10.055 0.837 1.00 0.00 H new ATOM 0 HG2 MET A 87 10.607 -9.456 2.989 1.00 0.00 H new ATOM 0 HG3 MET A 87 9.183 -9.986 3.861 1.00 0.00 H new ATOM 0 HE1 MET A 87 11.835 -12.813 4.600 1.00 0.00 H new ATOM 0 HE2 MET A 87 12.158 -11.077 4.378 1.00 0.00 H new ATOM 0 HE3 MET A 87 10.737 -11.605 5.310 1.00 0.00 H new ATOM 1306 N VAL A 88 9.230 -6.241 2.248 1.00 0.00 N ATOM 1307 CA VAL A 88 10.185 -5.171 2.327 1.00 0.00 C ATOM 1308 C VAL A 88 9.862 -4.310 3.541 1.00 0.00 C ATOM 1309 O VAL A 88 8.700 -4.286 4.015 1.00 0.00 O ATOM 1310 CB VAL A 88 10.176 -4.316 1.019 1.00 0.00 C ATOM 1311 CG1 VAL A 88 8.829 -3.679 0.769 1.00 0.00 C ATOM 1312 CG2 VAL A 88 11.266 -3.272 1.030 1.00 0.00 C ATOM 0 H VAL A 88 8.324 -6.021 2.661 1.00 0.00 H new ATOM 0 HA VAL A 88 11.186 -5.588 2.435 1.00 0.00 H new ATOM 0 HB VAL A 88 10.374 -5.002 0.196 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.868 -3.094 -0.150 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.071 -4.456 0.672 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.575 -3.026 1.604 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.229 -2.697 0.105 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.121 -2.603 1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 88 12.237 -3.760 1.115 1.00 0.00 H new ATOM 1322 N THR A 89 10.870 -3.681 4.095 1.00 0.00 N ATOM 1323 CA THR A 89 10.705 -2.834 5.217 1.00 0.00 C ATOM 1324 C THR A 89 10.081 -1.533 4.797 1.00 0.00 C ATOM 1325 O THR A 89 10.148 -1.151 3.630 1.00 0.00 O ATOM 1326 CB THR A 89 12.055 -2.551 5.902 1.00 0.00 C ATOM 1327 OG1 THR A 89 13.029 -2.191 4.921 1.00 0.00 O ATOM 1328 CG2 THR A 89 12.533 -3.740 6.706 1.00 0.00 C ATOM 0 H THR A 89 11.832 -3.754 3.765 1.00 0.00 H new ATOM 0 HA THR A 89 10.052 -3.344 5.926 1.00 0.00 H new ATOM 0 HB THR A 89 11.915 -1.722 6.595 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.794 -2.800 4.981 1.00 0.00 H new ATOM 0 HG21 THR A 89 13.488 -3.502 7.174 1.00 0.00 H new ATOM 0 HG22 THR A 89 11.800 -3.976 7.477 1.00 0.00 H new ATOM 0 HG23 THR A 89 12.656 -4.599 6.047 1.00 0.00 H new ATOM 1336 N HIS A 90 9.461 -0.879 5.749 1.00 0.00 N ATOM 1337 CA HIS A 90 8.889 0.453 5.561 1.00 0.00 C ATOM 1338 C HIS A 90 9.978 1.364 5.018 1.00 0.00 C ATOM 1339 O HIS A 90 9.790 2.056 4.038 1.00 0.00 O ATOM 1340 CB HIS A 90 8.399 0.982 6.927 1.00 0.00 C ATOM 1341 CG HIS A 90 7.685 2.310 6.904 1.00 0.00 C ATOM 1342 ND1 HIS A 90 6.344 2.458 7.160 1.00 0.00 N ATOM 1343 CD2 HIS A 90 8.139 3.543 6.616 1.00 0.00 C ATOM 1344 CE1 HIS A 90 6.021 3.730 7.002 1.00 0.00 C ATOM 1345 NE2 HIS A 90 7.078 4.447 6.677 1.00 0.00 N ATOM 0 H HIS A 90 9.332 -1.251 6.690 1.00 0.00 H new ATOM 0 HA HIS A 90 8.050 0.421 4.865 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.730 0.240 7.363 1.00 0.00 H new ATOM 0 HB3 HIS A 90 9.259 1.066 7.592 1.00 0.00 H new ATOM 0 HD2 HIS A 90 9.162 3.793 6.376 1.00 0.00 H new ATOM 0 HE1 HIS A 90 5.024 4.128 7.123 1.00 0.00 H new ATOM 0 HE2 HIS A 90 7.113 5.452 6.506 1.00 0.00 H new ATOM 1353 N ASP A 91 11.122 1.251 5.638 1.00 0.00 N ATOM 1354 CA ASP A 91 12.309 2.031 5.351 1.00 0.00 C ATOM 1355 C ASP A 91 12.723 1.894 3.906 1.00 0.00 C ATOM 1356 O ASP A 91 12.882 2.882 3.206 1.00 0.00 O ATOM 1357 CB ASP A 91 13.430 1.543 6.261 1.00 0.00 C ATOM 1358 CG ASP A 91 14.751 2.254 6.076 1.00 0.00 C ATOM 1359 OD1 ASP A 91 14.811 3.484 6.237 1.00 0.00 O ATOM 1360 OD2 ASP A 91 15.765 1.584 5.806 1.00 0.00 O ATOM 0 H ASP A 91 11.264 0.582 6.394 1.00 0.00 H new ATOM 0 HA ASP A 91 12.097 3.085 5.531 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.114 1.658 7.298 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.580 0.477 6.090 1.00 0.00 H new ATOM 1365 N GLN A 92 12.836 0.672 3.458 1.00 0.00 N ATOM 1366 CA GLN A 92 13.278 0.387 2.093 1.00 0.00 C ATOM 1367 C GLN A 92 12.205 0.715 1.064 1.00 0.00 C ATOM 1368 O GLN A 92 12.508 1.114 -0.056 1.00 0.00 O ATOM 1369 CB GLN A 92 13.736 -1.070 1.964 1.00 0.00 C ATOM 1370 CG GLN A 92 15.258 -1.274 1.981 1.00 0.00 C ATOM 1371 CD GLN A 92 15.965 -0.710 3.207 1.00 0.00 C ATOM 1372 OE1 GLN A 92 17.113 -0.288 3.123 1.00 0.00 O ATOM 1373 NE2 GLN A 92 15.342 -0.757 4.347 1.00 0.00 N ATOM 0 H GLN A 92 12.629 -0.158 4.014 1.00 0.00 H new ATOM 0 HA GLN A 92 14.129 1.036 1.885 1.00 0.00 H new ATOM 0 HB2 GLN A 92 13.298 -1.647 2.779 1.00 0.00 H new ATOM 0 HB3 GLN A 92 13.340 -1.479 1.035 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.468 -2.342 1.917 1.00 0.00 H new ATOM 0 HG3 GLN A 92 15.682 -0.812 1.090 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.387 -1.112 4.392 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.808 -0.439 5.196 1.00 0.00 H new ATOM 1382 N ALA A 93 10.970 0.592 1.457 1.00 0.00 N ATOM 1383 CA ALA A 93 9.855 0.835 0.567 1.00 0.00 C ATOM 1384 C ALA A 93 9.632 2.305 0.368 1.00 0.00 C ATOM 1385 O ALA A 93 9.270 2.743 -0.733 1.00 0.00 O ATOM 1386 CB ALA A 93 8.616 0.203 1.106 1.00 0.00 C ATOM 0 H ALA A 93 10.700 0.321 2.402 1.00 0.00 H new ATOM 0 HA ALA A 93 10.094 0.390 -0.399 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.785 0.394 0.427 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.768 -0.872 1.201 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.388 0.625 2.085 1.00 0.00 H new ATOM 1392 N ARG A 94 9.854 3.069 1.435 1.00 0.00 N ATOM 1393 CA ARG A 94 9.710 4.521 1.405 1.00 0.00 C ATOM 1394 C ARG A 94 10.483 5.128 0.260 1.00 0.00 C ATOM 1395 O ARG A 94 9.924 5.848 -0.557 1.00 0.00 O ATOM 1396 CB ARG A 94 10.082 5.136 2.751 1.00 0.00 C ATOM 1397 CG ARG A 94 8.997 5.000 3.783 1.00 0.00 C ATOM 1398 CD ARG A 94 7.829 5.927 3.513 1.00 0.00 C ATOM 1399 NE ARG A 94 8.123 7.294 3.942 1.00 0.00 N ATOM 1400 CZ ARG A 94 7.225 8.280 4.048 1.00 0.00 C ATOM 1401 NH1 ARG A 94 6.016 8.153 3.507 1.00 0.00 N ATOM 1402 NH2 ARG A 94 7.564 9.420 4.627 1.00 0.00 N ATOM 0 H ARG A 94 10.138 2.699 2.342 1.00 0.00 H new ATOM 0 HA ARG A 94 8.660 4.754 1.228 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.990 4.660 3.122 1.00 0.00 H new ATOM 0 HB3 ARG A 94 10.310 6.192 2.610 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.643 3.969 3.802 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.408 5.214 4.770 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.596 5.920 2.448 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.945 5.562 4.035 1.00 0.00 H new ATOM 0 HE ARG A 94 9.090 7.513 4.179 1.00 0.00 H new ATOM 0 HH11 ARG A 94 5.768 7.299 3.007 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.337 8.909 3.592 1.00 0.00 H new ATOM 0 HH21 ARG A 94 8.508 9.546 4.991 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.881 10.173 4.709 1.00 0.00 H new ATOM 1416 N LYS A 95 11.695 4.706 0.077 1.00 0.00 N ATOM 1417 CA LYS A 95 12.469 5.240 -1.008 1.00 0.00 C ATOM 1418 C LYS A 95 12.337 4.398 -2.209 1.00 0.00 C ATOM 1419 O LYS A 95 13.261 3.744 -2.665 1.00 0.00 O ATOM 1420 CB LYS A 95 13.924 5.699 -0.734 1.00 0.00 C ATOM 1421 CG LYS A 95 14.783 4.808 0.132 1.00 0.00 C ATOM 1422 CD LYS A 95 14.528 5.110 1.579 1.00 0.00 C ATOM 1423 CE LYS A 95 15.455 4.353 2.481 1.00 0.00 C ATOM 1424 NZ LYS A 95 15.198 4.706 3.875 1.00 0.00 N ATOM 0 H LYS A 95 12.166 4.007 0.651 1.00 0.00 H new ATOM 0 HA LYS A 95 12.005 6.210 -1.183 1.00 0.00 H new ATOM 0 HB2 LYS A 95 14.425 5.820 -1.694 1.00 0.00 H new ATOM 0 HB3 LYS A 95 13.884 6.684 -0.269 1.00 0.00 H new ATOM 0 HG2 LYS A 95 14.562 3.761 -0.075 1.00 0.00 H new ATOM 0 HG3 LYS A 95 15.836 4.964 -0.102 1.00 0.00 H new ATOM 0 HD2 LYS A 95 14.646 6.180 1.753 1.00 0.00 H new ATOM 0 HD3 LYS A 95 13.496 4.859 1.826 1.00 0.00 H new ATOM 0 HE2 LYS A 95 15.319 3.281 2.338 1.00 0.00 H new ATOM 0 HE3 LYS A 95 16.490 4.580 2.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 15.471 3.913 4.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 15.754 5.548 4.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 14.186 4.909 4.001 1.00 0.00 H new ATOM 1438 N ARG A 96 11.125 4.310 -2.605 1.00 0.00 N ATOM 1439 CA ARG A 96 10.730 3.719 -3.828 1.00 0.00 C ATOM 1440 C ARG A 96 9.429 4.346 -4.207 1.00 0.00 C ATOM 1441 O ARG A 96 9.260 4.825 -5.303 1.00 0.00 O ATOM 1442 CB ARG A 96 10.585 2.192 -3.747 1.00 0.00 C ATOM 1443 CG ARG A 96 10.387 1.552 -5.112 1.00 0.00 C ATOM 1444 CD ARG A 96 11.663 1.638 -5.945 1.00 0.00 C ATOM 1445 NE ARG A 96 11.417 1.350 -7.357 1.00 0.00 N ATOM 1446 CZ ARG A 96 11.991 0.385 -8.070 1.00 0.00 C ATOM 1447 NH1 ARG A 96 12.920 -0.404 -7.523 1.00 0.00 N ATOM 1448 NH2 ARG A 96 11.669 0.244 -9.352 1.00 0.00 N ATOM 0 H ARG A 96 10.341 4.666 -2.059 1.00 0.00 H new ATOM 0 HA ARG A 96 11.503 3.895 -4.576 1.00 0.00 H new ATOM 0 HB2 ARG A 96 11.474 1.770 -3.277 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.738 1.944 -3.107 1.00 0.00 H new ATOM 0 HG2 ARG A 96 10.097 0.508 -4.990 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.571 2.050 -5.637 1.00 0.00 H new ATOM 0 HD2 ARG A 96 12.092 2.635 -5.848 1.00 0.00 H new ATOM 0 HD3 ARG A 96 12.399 0.935 -5.555 1.00 0.00 H new ATOM 0 HE ARG A 96 10.743 1.944 -7.840 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.195 -0.269 -6.550 1.00 0.00 H new ATOM 0 HH12 ARG A 96 13.354 -1.141 -8.078 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.988 0.872 -9.779 1.00 0.00 H new ATOM 0 HH22 ARG A 96 12.103 -0.492 -9.909 1.00 0.00 H new ATOM 1462 N LEU A 97 8.532 4.398 -3.252 1.00 0.00 N ATOM 1463 CA LEU A 97 7.220 4.965 -3.508 1.00 0.00 C ATOM 1464 C LEU A 97 7.093 6.439 -3.134 1.00 0.00 C ATOM 1465 O LEU A 97 6.233 7.144 -3.640 1.00 0.00 O ATOM 1466 CB LEU A 97 6.154 4.100 -2.882 1.00 0.00 C ATOM 1467 CG LEU A 97 6.453 3.568 -1.503 1.00 0.00 C ATOM 1468 CD1 LEU A 97 6.396 4.648 -0.436 1.00 0.00 C ATOM 1469 CD2 LEU A 97 5.545 2.445 -1.204 1.00 0.00 C ATOM 0 H LEU A 97 8.678 4.061 -2.301 1.00 0.00 H new ATOM 0 HA LEU A 97 7.073 4.962 -4.588 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.230 4.676 -2.834 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.968 3.253 -3.543 1.00 0.00 H new ATOM 0 HG LEU A 97 7.480 3.203 -1.492 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.619 4.210 0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.129 5.422 -0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.399 5.088 -0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.760 2.059 -0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.512 2.791 -1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.691 1.653 -1.939 1.00 0.00 H new ATOM 1481 N THR A 98 7.890 6.891 -2.217 1.00 0.00 N ATOM 1482 CA THR A 98 7.880 8.305 -1.933 1.00 0.00 C ATOM 1483 C THR A 98 9.216 8.936 -2.316 1.00 0.00 C ATOM 1484 O THR A 98 9.524 10.078 -1.924 1.00 0.00 O ATOM 1485 CB THR A 98 7.424 8.657 -0.464 1.00 0.00 C ATOM 1486 OG1 THR A 98 7.306 10.084 -0.284 1.00 0.00 O ATOM 1487 CG2 THR A 98 8.368 8.113 0.578 1.00 0.00 C ATOM 0 H THR A 98 8.538 6.330 -1.665 1.00 0.00 H new ATOM 0 HA THR A 98 7.109 8.752 -2.561 1.00 0.00 H new ATOM 0 HB THR A 98 6.451 8.184 -0.330 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.047 10.534 -0.741 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.009 8.383 1.571 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.418 7.027 0.493 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.361 8.535 0.425 1.00 0.00 H new ATOM 1495 N LYS A 99 10.029 8.200 -3.088 1.00 0.00 N ATOM 1496 CA LYS A 99 11.238 8.800 -3.612 1.00 0.00 C ATOM 1497 C LYS A 99 10.857 9.707 -4.800 1.00 0.00 C ATOM 1498 O LYS A 99 9.757 9.613 -5.317 1.00 0.00 O ATOM 1499 CB LYS A 99 12.297 7.774 -4.052 1.00 0.00 C ATOM 1500 CG LYS A 99 11.969 7.019 -5.327 1.00 0.00 C ATOM 1501 CD LYS A 99 13.225 6.422 -5.960 1.00 0.00 C ATOM 1502 CE LYS A 99 13.889 5.383 -5.093 1.00 0.00 C ATOM 1503 NZ LYS A 99 15.037 4.745 -5.759 1.00 0.00 N ATOM 0 H LYS A 99 9.871 7.227 -3.349 1.00 0.00 H new ATOM 0 HA LYS A 99 11.696 9.373 -2.805 1.00 0.00 H new ATOM 0 HB2 LYS A 99 13.247 8.291 -4.188 1.00 0.00 H new ATOM 0 HB3 LYS A 99 12.439 7.053 -3.247 1.00 0.00 H new ATOM 0 HG2 LYS A 99 11.257 6.223 -5.108 1.00 0.00 H new ATOM 0 HG3 LYS A 99 11.487 7.692 -6.036 1.00 0.00 H new ATOM 0 HD2 LYS A 99 12.963 5.973 -6.918 1.00 0.00 H new ATOM 0 HD3 LYS A 99 13.936 7.222 -6.166 1.00 0.00 H new ATOM 0 HE2 LYS A 99 14.223 5.848 -4.165 1.00 0.00 H new ATOM 0 HE3 LYS A 99 13.159 4.620 -4.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 15.459 4.039 -5.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 14.717 4.278 -6.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 15.747 5.467 -5.994 1.00 0.00 H new ATOM 1517 N ARG A 100 11.778 10.527 -5.261 1.00 0.00 N ATOM 1518 CA ARG A 100 11.448 11.484 -6.321 1.00 0.00 C ATOM 1519 C ARG A 100 12.184 11.174 -7.609 1.00 0.00 C ATOM 1520 O ARG A 100 12.014 11.852 -8.622 1.00 0.00 O ATOM 1521 CB ARG A 100 11.729 12.931 -5.874 1.00 0.00 C ATOM 1522 CG ARG A 100 13.127 13.149 -5.329 1.00 0.00 C ATOM 1523 CD ARG A 100 13.456 14.629 -5.122 1.00 0.00 C ATOM 1524 NE ARG A 100 12.504 15.341 -4.234 1.00 0.00 N ATOM 1525 CZ ARG A 100 12.640 15.459 -2.883 1.00 0.00 C ATOM 1526 NH1 ARG A 100 13.512 14.694 -2.224 1.00 0.00 N ATOM 1527 NH2 ARG A 100 11.884 16.320 -2.196 1.00 0.00 N ATOM 0 H ARG A 100 12.744 10.559 -4.934 1.00 0.00 H new ATOM 0 HA ARG A 100 10.380 11.386 -6.516 1.00 0.00 H new ATOM 0 HB2 ARG A 100 11.572 13.599 -6.721 1.00 0.00 H new ATOM 0 HB3 ARG A 100 11.005 13.211 -5.109 1.00 0.00 H new ATOM 0 HG2 ARG A 100 13.229 12.622 -4.380 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.852 12.712 -6.015 1.00 0.00 H new ATOM 0 HD2 ARG A 100 14.459 14.712 -4.703 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.473 15.126 -6.092 1.00 0.00 H new ATOM 0 HE ARG A 100 11.688 15.774 -4.666 1.00 0.00 H new ATOM 0 HH11 ARG A 100 14.081 14.016 -2.731 1.00 0.00 H new ATOM 0 HH12 ARG A 100 13.609 14.787 -1.213 1.00 0.00 H new ATOM 0 HH21 ARG A 100 11.197 16.897 -2.682 1.00 0.00 H new ATOM 0 HH22 ARG A 100 11.993 16.401 -1.185 1.00 0.00 H new ATOM 1541 N SER A 101 12.959 10.139 -7.574 1.00 0.00 N ATOM 1542 CA SER A 101 13.800 9.765 -8.677 1.00 0.00 C ATOM 1543 C SER A 101 13.020 9.100 -9.822 1.00 0.00 C ATOM 1544 O SER A 101 13.358 9.270 -10.994 1.00 0.00 O ATOM 1545 CB SER A 101 14.842 8.834 -8.140 1.00 0.00 C ATOM 1546 OG SER A 101 15.563 9.460 -7.086 1.00 0.00 O ATOM 0 H SER A 101 13.031 9.517 -6.769 1.00 0.00 H new ATOM 0 HA SER A 101 14.248 10.661 -9.107 1.00 0.00 H new ATOM 0 HB2 SER A 101 14.371 7.921 -7.776 1.00 0.00 H new ATOM 0 HB3 SER A 101 15.527 8.544 -8.937 1.00 0.00 H new ATOM 0 HG SER A 101 16.241 8.842 -6.741 1.00 0.00 H new ATOM 1552 N GLU A 102 12.006 8.363 -9.486 1.00 0.00 N ATOM 1553 CA GLU A 102 11.218 7.657 -10.471 1.00 0.00 C ATOM 1554 C GLU A 102 9.812 8.252 -10.566 1.00 0.00 C ATOM 1555 O GLU A 102 9.466 9.134 -9.775 1.00 0.00 O ATOM 1556 CB GLU A 102 11.226 6.177 -10.129 1.00 0.00 C ATOM 1557 CG GLU A 102 10.613 5.811 -8.788 1.00 0.00 C ATOM 1558 CD GLU A 102 10.987 4.410 -8.388 1.00 0.00 C ATOM 1559 OE1 GLU A 102 10.324 3.436 -8.818 1.00 0.00 O ATOM 1560 OE2 GLU A 102 12.009 4.252 -7.706 1.00 0.00 O ATOM 0 H GLU A 102 11.695 8.229 -8.524 1.00 0.00 H new ATOM 0 HA GLU A 102 11.652 7.771 -11.464 1.00 0.00 H new ATOM 0 HB2 GLU A 102 10.692 5.638 -10.912 1.00 0.00 H new ATOM 0 HB3 GLU A 102 12.257 5.824 -10.146 1.00 0.00 H new ATOM 0 HG2 GLU A 102 10.951 6.513 -8.026 1.00 0.00 H new ATOM 0 HG3 GLU A 102 9.528 5.900 -8.844 1.00 0.00 H new ATOM 1567 N GLU A 103 9.025 7.815 -11.535 1.00 0.00 N ATOM 1568 CA GLU A 103 7.710 8.389 -11.751 1.00 0.00 C ATOM 1569 C GLU A 103 6.585 7.370 -11.934 1.00 0.00 C ATOM 1570 O GLU A 103 5.925 7.009 -10.972 1.00 0.00 O ATOM 1571 CB GLU A 103 7.679 9.462 -12.867 1.00 0.00 C ATOM 1572 CG GLU A 103 8.474 9.159 -14.142 1.00 0.00 C ATOM 1573 CD GLU A 103 9.938 9.467 -14.006 1.00 0.00 C ATOM 1574 OE1 GLU A 103 10.300 10.656 -14.040 1.00 0.00 O ATOM 1575 OE2 GLU A 103 10.749 8.552 -13.856 1.00 0.00 O ATOM 0 H GLU A 103 9.274 7.067 -12.182 1.00 0.00 H new ATOM 0 HA GLU A 103 7.505 8.893 -10.807 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.639 9.630 -13.147 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.052 10.397 -12.449 1.00 0.00 H new ATOM 0 HG2 GLU A 103 8.352 8.107 -14.399 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.061 9.739 -14.968 1.00 0.00 H new ATOM 1582 N VAL A 104 6.360 6.919 -13.165 1.00 0.00 N ATOM 1583 CA VAL A 104 5.269 6.011 -13.435 1.00 0.00 C ATOM 1584 C VAL A 104 5.596 4.659 -12.908 1.00 0.00 C ATOM 1585 O VAL A 104 6.538 3.998 -13.359 1.00 0.00 O ATOM 1586 CB VAL A 104 4.909 5.897 -14.922 1.00 0.00 C ATOM 1587 CG1 VAL A 104 3.631 5.121 -15.090 1.00 0.00 C ATOM 1588 CG2 VAL A 104 4.822 7.246 -15.564 1.00 0.00 C ATOM 0 H VAL A 104 6.919 7.170 -13.981 1.00 0.00 H new ATOM 0 HA VAL A 104 4.397 6.429 -12.931 1.00 0.00 H new ATOM 0 HB VAL A 104 5.705 5.353 -15.429 1.00 0.00 H new ATOM 0 HG11 VAL A 104 3.387 5.047 -16.150 1.00 0.00 H new ATOM 0 HG12 VAL A 104 3.756 4.120 -14.676 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.823 5.632 -14.566 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.565 7.132 -16.617 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.054 7.837 -15.065 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.783 7.753 -15.478 1.00 0.00 H new ATOM 1598 N VAL A 105 4.864 4.268 -11.956 1.00 0.00 N ATOM 1599 CA VAL A 105 5.069 3.031 -11.316 1.00 0.00 C ATOM 1600 C VAL A 105 3.949 2.066 -11.642 1.00 0.00 C ATOM 1601 O VAL A 105 2.819 2.465 -11.912 1.00 0.00 O ATOM 1602 CB VAL A 105 5.223 3.203 -9.803 1.00 0.00 C ATOM 1603 CG1 VAL A 105 6.570 3.842 -9.473 1.00 0.00 C ATOM 1604 CG2 VAL A 105 4.111 4.082 -9.297 1.00 0.00 C ATOM 0 H VAL A 105 4.082 4.807 -11.584 1.00 0.00 H new ATOM 0 HA VAL A 105 6.001 2.611 -11.694 1.00 0.00 H new ATOM 0 HB VAL A 105 5.176 2.225 -9.324 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.663 3.957 -8.393 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.375 3.205 -9.841 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.635 4.820 -9.949 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.211 4.211 -8.219 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.165 5.055 -9.786 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.150 3.617 -9.519 1.00 0.00 H new ATOM 1614 N ARG A 106 4.278 0.813 -11.586 1.00 0.00 N ATOM 1615 CA ARG A 106 3.399 -0.272 -11.963 1.00 0.00 C ATOM 1616 C ARG A 106 3.253 -1.137 -10.734 1.00 0.00 C ATOM 1617 O ARG A 106 4.171 -1.865 -10.374 1.00 0.00 O ATOM 1618 CB ARG A 106 4.076 -1.064 -13.080 1.00 0.00 C ATOM 1619 CG ARG A 106 4.462 -0.223 -14.302 1.00 0.00 C ATOM 1620 CD ARG A 106 3.311 -0.042 -15.262 1.00 0.00 C ATOM 1621 NE ARG A 106 3.005 -1.313 -15.923 1.00 0.00 N ATOM 1622 CZ ARG A 106 2.343 -1.457 -17.070 1.00 0.00 C ATOM 1623 NH1 ARG A 106 1.728 -0.427 -17.622 1.00 0.00 N ATOM 1624 NH2 ARG A 106 2.257 -2.652 -17.629 1.00 0.00 N ATOM 0 H ARG A 106 5.194 0.497 -11.267 1.00 0.00 H new ATOM 0 HA ARG A 106 2.427 0.076 -12.313 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.973 -1.538 -12.682 1.00 0.00 H new ATOM 0 HB3 ARG A 106 3.408 -1.864 -13.400 1.00 0.00 H new ATOM 0 HG2 ARG A 106 4.813 0.754 -13.971 1.00 0.00 H new ATOM 0 HG3 ARG A 106 5.293 -0.701 -14.821 1.00 0.00 H new ATOM 0 HD2 ARG A 106 2.433 0.319 -14.726 1.00 0.00 H new ATOM 0 HD3 ARG A 106 3.563 0.713 -16.007 1.00 0.00 H new ATOM 0 HE ARG A 106 3.328 -2.164 -15.464 1.00 0.00 H new ATOM 0 HH11 ARG A 106 1.758 0.487 -17.170 1.00 0.00 H new ATOM 0 HH12 ARG A 106 1.223 -0.545 -18.500 1.00 0.00 H new ATOM 0 HH21 ARG A 106 2.696 -3.457 -17.182 1.00 0.00 H new ATOM 0 HH22 ARG A 106 1.752 -2.769 -18.507 1.00 0.00 H new ATOM 1638 N LEU A 107 2.183 -0.986 -10.042 1.00 0.00 N ATOM 1639 CA LEU A 107 2.039 -1.627 -8.768 1.00 0.00 C ATOM 1640 C LEU A 107 1.032 -2.734 -8.847 1.00 0.00 C ATOM 1641 O LEU A 107 0.225 -2.772 -9.754 1.00 0.00 O ATOM 1642 CB LEU A 107 1.562 -0.634 -7.688 1.00 0.00 C ATOM 1643 CG LEU A 107 2.183 0.774 -7.646 1.00 0.00 C ATOM 1644 CD1 LEU A 107 3.664 0.773 -7.833 1.00 0.00 C ATOM 1645 CD2 LEU A 107 1.502 1.728 -8.593 1.00 0.00 C ATOM 0 H LEU A 107 1.384 -0.422 -10.331 1.00 0.00 H new ATOM 0 HA LEU A 107 3.020 -2.019 -8.499 1.00 0.00 H new ATOM 0 HB2 LEU A 107 0.484 -0.516 -7.802 1.00 0.00 H new ATOM 0 HB3 LEU A 107 1.731 -1.098 -6.716 1.00 0.00 H new ATOM 0 HG LEU A 107 2.006 1.139 -6.634 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.037 1.797 -7.793 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.130 0.186 -7.042 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.908 0.336 -8.801 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.976 2.707 -8.526 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.588 1.352 -9.612 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.449 1.816 -8.326 1.00 0.00 H new ATOM 1657 N LEU A 108 1.096 -3.613 -7.907 1.00 0.00 N ATOM 1658 CA LEU A 108 0.129 -4.659 -7.743 1.00 0.00 C ATOM 1659 C LEU A 108 -0.292 -4.715 -6.302 1.00 0.00 C ATOM 1660 O LEU A 108 0.553 -4.866 -5.401 1.00 0.00 O ATOM 1661 CB LEU A 108 0.669 -6.009 -8.177 1.00 0.00 C ATOM 1662 CG LEU A 108 0.117 -6.575 -9.479 1.00 0.00 C ATOM 1663 CD1 LEU A 108 0.688 -5.853 -10.692 1.00 0.00 C ATOM 1664 CD2 LEU A 108 0.363 -8.068 -9.556 1.00 0.00 C ATOM 0 H LEU A 108 1.840 -3.630 -7.209 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.726 -4.434 -8.380 1.00 0.00 H new ATOM 0 HB2 LEU A 108 1.752 -5.929 -8.272 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.471 -6.727 -7.382 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.960 -6.408 -9.488 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.271 -6.285 -11.602 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.430 -4.795 -10.641 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.773 -5.962 -10.703 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.038 -8.455 -10.493 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.435 -8.263 -9.512 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -0.130 -8.562 -8.719 1.00 0.00 H new ATOM 1676 N VAL A 109 -1.563 -4.573 -6.081 1.00 0.00 N ATOM 1677 CA VAL A 109 -2.122 -4.567 -4.741 1.00 0.00 C ATOM 1678 C VAL A 109 -3.127 -5.678 -4.569 1.00 0.00 C ATOM 1679 O VAL A 109 -3.680 -6.183 -5.553 1.00 0.00 O ATOM 1680 CB VAL A 109 -2.762 -3.216 -4.359 1.00 0.00 C ATOM 1681 CG1 VAL A 109 -1.731 -2.110 -4.347 1.00 0.00 C ATOM 1682 CG2 VAL A 109 -3.907 -2.863 -5.276 1.00 0.00 C ATOM 0 H VAL A 109 -2.255 -4.457 -6.821 1.00 0.00 H new ATOM 0 HA VAL A 109 -1.283 -4.729 -4.065 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.164 -3.323 -3.351 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.210 -1.169 -4.075 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.953 -2.345 -3.620 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.286 -2.017 -5.337 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.332 -1.905 -4.975 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.544 -2.793 -6.301 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.674 -3.635 -5.215 1.00 0.00 H new ATOM 1692 N THR A 110 -3.346 -6.073 -3.343 1.00 0.00 N ATOM 1693 CA THR A 110 -4.253 -7.143 -3.042 1.00 0.00 C ATOM 1694 C THR A 110 -5.225 -6.731 -1.960 1.00 0.00 C ATOM 1695 O THR A 110 -4.880 -5.971 -1.037 1.00 0.00 O ATOM 1696 CB THR A 110 -3.493 -8.393 -2.554 1.00 0.00 C ATOM 1697 OG1 THR A 110 -2.703 -8.045 -1.403 1.00 0.00 O ATOM 1698 CG2 THR A 110 -2.566 -8.912 -3.612 1.00 0.00 C ATOM 0 H THR A 110 -2.899 -5.660 -2.525 1.00 0.00 H new ATOM 0 HA THR A 110 -4.792 -7.375 -3.961 1.00 0.00 H new ATOM 0 HB THR A 110 -4.227 -9.162 -2.312 1.00 0.00 H new ATOM 0 HG1 THR A 110 -2.156 -7.258 -1.608 1.00 0.00 H new ATOM 0 HG21 THR A 110 -2.045 -9.793 -3.238 1.00 0.00 H new ATOM 0 HG22 THR A 110 -3.140 -9.179 -4.499 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.839 -8.142 -3.868 1.00 0.00 H new ATOM 1706 N ARG A 111 -6.425 -7.234 -2.052 1.00 0.00 N ATOM 1707 CA ARG A 111 -7.410 -6.984 -1.056 1.00 0.00 C ATOM 1708 C ARG A 111 -7.454 -8.207 -0.160 1.00 0.00 C ATOM 1709 O ARG A 111 -8.207 -9.152 -0.402 1.00 0.00 O ATOM 1710 CB ARG A 111 -8.783 -6.710 -1.678 1.00 0.00 C ATOM 1711 CG ARG A 111 -8.814 -5.566 -2.705 1.00 0.00 C ATOM 1712 CD ARG A 111 -8.328 -4.233 -2.131 1.00 0.00 C ATOM 1713 NE ARG A 111 -9.201 -3.697 -1.071 1.00 0.00 N ATOM 1714 CZ ARG A 111 -8.919 -2.628 -0.302 1.00 0.00 C ATOM 1715 NH1 ARG A 111 -7.794 -1.955 -0.471 1.00 0.00 N ATOM 1716 NH2 ARG A 111 -9.792 -2.228 0.616 1.00 0.00 N ATOM 0 H ARG A 111 -6.740 -7.826 -2.820 1.00 0.00 H new ATOM 0 HA ARG A 111 -7.151 -6.093 -0.484 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -9.135 -7.622 -2.161 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -9.488 -6.480 -0.879 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -8.193 -5.835 -3.559 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -9.832 -5.446 -3.076 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -7.322 -4.363 -1.731 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -8.258 -3.503 -2.937 1.00 0.00 H new ATOM 0 HE ARG A 111 -10.088 -4.173 -0.907 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -7.130 -2.244 -1.189 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -7.590 -1.147 0.117 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -10.672 -2.730 0.736 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -9.583 -1.419 1.201 1.00 0.00 H new ATOM 1730 N GLN A 112 -6.567 -8.218 0.807 1.00 0.00 N ATOM 1731 CA GLN A 112 -6.403 -9.359 1.715 1.00 0.00 C ATOM 1732 C GLN A 112 -7.294 -9.218 2.916 1.00 0.00 C ATOM 1733 O GLN A 112 -7.421 -10.127 3.708 1.00 0.00 O ATOM 1734 CB GLN A 112 -4.965 -9.459 2.191 1.00 0.00 C ATOM 1735 CG GLN A 112 -3.948 -9.575 1.083 1.00 0.00 C ATOM 1736 CD GLN A 112 -4.032 -10.868 0.287 1.00 0.00 C ATOM 1737 OE1 GLN A 112 -4.798 -10.867 -0.770 1.00 0.00 O flip ATOM 1738 NE2 GLN A 112 -3.400 -11.858 0.627 1.00 0.00 N flip ATOM 0 H GLN A 112 -5.932 -7.442 0.997 1.00 0.00 H new ATOM 0 HA GLN A 112 -6.674 -10.259 1.163 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -4.732 -8.579 2.791 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -4.871 -10.325 2.846 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -4.074 -8.734 0.401 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -2.950 -9.491 1.512 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -2.810 -11.826 1.459 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -3.463 -12.716 0.079 1.00 0.00 H new ATOM 1747 N SER A 113 -7.942 -8.092 3.025 1.00 0.00 N ATOM 1748 CA SER A 113 -8.810 -7.794 4.152 1.00 0.00 C ATOM 1749 C SER A 113 -10.185 -8.434 3.965 1.00 0.00 C ATOM 1750 O SER A 113 -11.140 -8.062 4.629 1.00 0.00 O ATOM 1751 CB SER A 113 -8.934 -6.285 4.259 1.00 0.00 C ATOM 1752 OG SER A 113 -7.643 -5.699 4.232 1.00 0.00 O ATOM 0 H SER A 113 -7.889 -7.343 2.334 1.00 0.00 H new ATOM 0 HA SER A 113 -8.385 -8.204 5.068 1.00 0.00 H new ATOM 0 HB2 SER A 113 -9.536 -5.900 3.436 1.00 0.00 H new ATOM 0 HB3 SER A 113 -9.447 -6.017 5.182 1.00 0.00 H new ATOM 0 HG SER A 113 -7.055 -6.174 4.856 1.00 0.00 H new ATOM 1758 N LEU A 114 -10.226 -9.446 3.107 1.00 0.00 N ATOM 1759 CA LEU A 114 -11.438 -10.147 2.719 1.00 0.00 C ATOM 1760 C LEU A 114 -12.497 -9.208 2.175 1.00 0.00 C ATOM 1761 O LEU A 114 -13.445 -8.821 2.868 1.00 0.00 O ATOM 1762 CB LEU A 114 -12.002 -11.055 3.827 1.00 0.00 C ATOM 1763 CG LEU A 114 -11.284 -12.395 4.097 1.00 0.00 C ATOM 1764 CD1 LEU A 114 -9.886 -12.197 4.656 1.00 0.00 C ATOM 1765 CD2 LEU A 114 -12.114 -13.260 5.028 1.00 0.00 C ATOM 0 H LEU A 114 -9.390 -9.810 2.650 1.00 0.00 H new ATOM 0 HA LEU A 114 -11.140 -10.809 1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -12.007 -10.485 4.756 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -13.041 -11.276 3.582 1.00 0.00 H new ATOM 0 HG LEU A 114 -11.176 -12.904 3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -9.422 -13.168 4.829 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -9.286 -11.630 3.944 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -9.945 -11.650 5.597 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -11.595 -14.201 5.209 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -12.261 -12.739 5.974 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -13.082 -13.462 4.570 1.00 0.00 H new ATOM 1777 N GLN A 115 -12.301 -8.808 0.958 1.00 0.00 N ATOM 1778 CA GLN A 115 -13.219 -7.951 0.285 1.00 0.00 C ATOM 1779 C GLN A 115 -13.416 -8.508 -1.079 1.00 0.00 C ATOM 1780 O GLN A 115 -12.511 -9.125 -1.646 1.00 0.00 O ATOM 1781 CB GLN A 115 -12.675 -6.534 0.172 1.00 0.00 C ATOM 1782 CG GLN A 115 -13.646 -5.513 -0.425 1.00 0.00 C ATOM 1783 CD GLN A 115 -13.038 -4.145 -0.563 1.00 0.00 C ATOM 1784 OE1 GLN A 115 -11.838 -4.010 -0.736 1.00 0.00 O ATOM 1785 NE2 GLN A 115 -13.851 -3.131 -0.507 1.00 0.00 N ATOM 0 H GLN A 115 -11.489 -9.072 0.399 1.00 0.00 H new ATOM 0 HA GLN A 115 -14.154 -7.902 0.844 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -12.380 -6.194 1.165 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -11.773 -6.555 -0.439 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -13.975 -5.860 -1.404 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -14.533 -5.450 0.205 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -14.849 -3.285 -0.361 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -13.491 -2.182 -0.609 1.00 0.00 H new ATOM 1794 N LYS A 116 -14.558 -8.287 -1.585 1.00 0.00 N ATOM 1795 CA LYS A 116 -14.941 -8.747 -2.884 1.00 0.00 C ATOM 1796 C LYS A 116 -15.443 -7.550 -3.636 1.00 0.00 C ATOM 1797 O LYS A 116 -16.597 -7.147 -3.493 1.00 0.00 O ATOM 1798 CB LYS A 116 -16.018 -9.839 -2.784 1.00 0.00 C ATOM 1799 CG LYS A 116 -15.607 -11.022 -1.914 1.00 0.00 C ATOM 1800 CD LYS A 116 -16.686 -12.094 -1.830 1.00 0.00 C ATOM 1801 CE LYS A 116 -16.962 -12.732 -3.182 1.00 0.00 C ATOM 1802 NZ LYS A 116 -15.731 -13.275 -3.786 1.00 0.00 N ATOM 0 H LYS A 116 -15.290 -7.764 -1.103 1.00 0.00 H new ATOM 0 HA LYS A 116 -14.096 -9.198 -3.404 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -16.931 -9.401 -2.380 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -16.253 -10.199 -3.786 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -14.694 -11.462 -2.315 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -15.375 -10.666 -0.910 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -16.378 -12.864 -1.122 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -17.605 -11.654 -1.443 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -17.694 -13.531 -3.066 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -17.401 -11.992 -3.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -15.951 -14.160 -4.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -15.341 -12.585 -4.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -15.032 -13.463 -3.039 1.00 0.00 H new ATOM 1816 N ALA A 117 -14.555 -6.937 -4.353 1.00 0.00 N ATOM 1817 CA ALA A 117 -14.856 -5.718 -5.043 1.00 0.00 C ATOM 1818 C ALA A 117 -15.265 -5.999 -6.465 1.00 0.00 C ATOM 1819 O ALA A 117 -15.014 -7.091 -6.982 1.00 0.00 O ATOM 1820 CB ALA A 117 -13.653 -4.782 -5.004 1.00 0.00 C ATOM 0 H ALA A 117 -13.598 -7.267 -4.478 1.00 0.00 H new ATOM 0 HA ALA A 117 -15.692 -5.231 -4.541 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -13.893 -3.859 -5.531 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -13.403 -4.554 -3.968 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -12.802 -5.264 -5.485 1.00 0.00 H new ATOM 1826 N VAL A 118 -15.885 -5.007 -7.079 1.00 0.00 N ATOM 1827 CA VAL A 118 -16.339 -5.057 -8.456 1.00 0.00 C ATOM 1828 C VAL A 118 -17.498 -6.041 -8.623 1.00 0.00 C ATOM 1829 O VAL A 118 -17.323 -7.199 -9.011 1.00 0.00 O ATOM 1830 CB VAL A 118 -15.188 -5.321 -9.494 1.00 0.00 C ATOM 1831 CG1 VAL A 118 -15.712 -5.326 -10.928 1.00 0.00 C ATOM 1832 CG2 VAL A 118 -14.090 -4.274 -9.353 1.00 0.00 C ATOM 0 H VAL A 118 -16.092 -4.120 -6.620 1.00 0.00 H new ATOM 0 HA VAL A 118 -16.708 -4.058 -8.687 1.00 0.00 H new ATOM 0 HB VAL A 118 -14.777 -6.307 -9.278 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -14.887 -5.511 -11.616 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -16.461 -6.110 -11.039 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -16.163 -4.360 -11.154 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -13.302 -4.473 -10.079 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -14.507 -3.283 -9.532 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -13.674 -4.316 -8.346 1.00 0.00 H new ATOM 1842 N GLN A 119 -18.657 -5.586 -8.230 1.00 0.00 N ATOM 1843 CA GLN A 119 -19.876 -6.324 -8.384 1.00 0.00 C ATOM 1844 C GLN A 119 -21.033 -5.358 -8.507 1.00 0.00 C ATOM 1845 O GLN A 119 -21.607 -4.890 -7.523 1.00 0.00 O ATOM 1846 CB GLN A 119 -20.096 -7.381 -7.276 1.00 0.00 C ATOM 1847 CG GLN A 119 -20.066 -6.869 -5.842 1.00 0.00 C ATOM 1848 CD GLN A 119 -20.380 -7.960 -4.832 1.00 0.00 C ATOM 1849 OE1 GLN A 119 -20.019 -9.189 -5.143 1.00 0.00 O flip ATOM 1850 NE2 GLN A 119 -20.939 -7.691 -3.770 1.00 0.00 N flip ATOM 0 H GLN A 119 -18.780 -4.676 -7.786 1.00 0.00 H new ATOM 0 HA GLN A 119 -19.806 -6.906 -9.303 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -21.059 -7.862 -7.448 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -19.332 -8.151 -7.381 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -19.082 -6.452 -5.628 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -20.786 -6.058 -5.733 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -21.204 -6.728 -3.563 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -21.137 -8.431 -3.096 1.00 0.00 H new ATOM 1859 N GLN A 120 -21.302 -4.977 -9.710 1.00 0.00 N ATOM 1860 CA GLN A 120 -22.344 -4.048 -9.984 1.00 0.00 C ATOM 1861 C GLN A 120 -23.629 -4.844 -10.232 1.00 0.00 C ATOM 1862 O GLN A 120 -23.943 -5.249 -11.367 1.00 0.00 O ATOM 1863 CB GLN A 120 -21.938 -3.169 -11.181 1.00 0.00 C ATOM 1864 CG GLN A 120 -22.411 -1.721 -11.109 1.00 0.00 C ATOM 1865 CD GLN A 120 -23.898 -1.557 -11.224 1.00 0.00 C ATOM 1866 OE1 GLN A 120 -24.564 -2.325 -11.908 1.00 0.00 O ATOM 1867 NE2 GLN A 120 -24.429 -0.580 -10.537 1.00 0.00 N ATOM 0 H GLN A 120 -20.801 -5.304 -10.536 1.00 0.00 H new ATOM 0 HA GLN A 120 -22.520 -3.373 -9.146 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -20.851 -3.176 -11.265 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -22.332 -3.619 -12.092 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -22.080 -1.288 -10.165 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -21.931 -1.153 -11.906 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -23.834 0.035 -9.981 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -25.438 -0.432 -10.557 1.00 0.00 H new ATOM 1876 N SER A 121 -24.305 -5.147 -9.152 1.00 0.00 N ATOM 1877 CA SER A 121 -25.490 -5.959 -9.174 1.00 0.00 C ATOM 1878 C SER A 121 -26.736 -5.106 -9.430 1.00 0.00 C ATOM 1879 O SER A 121 -27.715 -5.588 -10.005 1.00 0.00 O ATOM 1880 CB SER A 121 -25.621 -6.674 -7.823 1.00 0.00 C ATOM 1881 OG SER A 121 -24.410 -7.348 -7.478 1.00 0.00 O ATOM 0 H SER A 121 -24.041 -4.830 -8.219 1.00 0.00 H new ATOM 0 HA SER A 121 -25.408 -6.686 -9.982 1.00 0.00 H new ATOM 0 HB2 SER A 121 -25.871 -5.950 -7.048 1.00 0.00 H new ATOM 0 HB3 SER A 121 -26.441 -7.391 -7.866 1.00 0.00 H new ATOM 0 HG SER A 121 -24.519 -7.794 -6.612 1.00 0.00 H new ATOM 1887 N MET A 122 -26.665 -3.828 -9.036 1.00 0.00 N ATOM 1888 CA MET A 122 -27.797 -2.868 -9.069 1.00 0.00 C ATOM 1889 C MET A 122 -28.806 -3.229 -8.009 1.00 0.00 C ATOM 1890 O MET A 122 -28.930 -2.541 -7.001 1.00 0.00 O ATOM 1891 CB MET A 122 -28.469 -2.717 -10.451 1.00 0.00 C ATOM 1892 CG MET A 122 -27.573 -2.108 -11.496 1.00 0.00 C ATOM 1893 SD MET A 122 -28.380 -1.877 -13.077 1.00 0.00 S ATOM 1894 CE MET A 122 -27.023 -1.175 -14.017 1.00 0.00 C ATOM 0 H MET A 122 -25.804 -3.415 -8.676 1.00 0.00 H new ATOM 0 HA MET A 122 -27.371 -1.887 -8.858 1.00 0.00 H new ATOM 0 HB2 MET A 122 -28.798 -3.698 -10.794 1.00 0.00 H new ATOM 0 HB3 MET A 122 -29.361 -2.100 -10.346 1.00 0.00 H new ATOM 0 HG2 MET A 122 -27.211 -1.145 -11.137 1.00 0.00 H new ATOM 0 HG3 MET A 122 -26.700 -2.746 -11.632 1.00 0.00 H new ATOM 0 HE1 MET A 122 -27.354 -0.968 -15.035 1.00 0.00 H new ATOM 0 HE2 MET A 122 -26.696 -0.248 -13.547 1.00 0.00 H new ATOM 0 HE3 MET A 122 -26.194 -1.882 -14.042 1.00 0.00 H new ATOM 1904 N LEU A 123 -29.508 -4.314 -8.206 1.00 0.00 N ATOM 1905 CA LEU A 123 -30.396 -4.794 -7.193 1.00 0.00 C ATOM 1906 C LEU A 123 -29.616 -5.789 -6.351 1.00 0.00 C ATOM 1907 O LEU A 123 -29.650 -6.999 -6.589 1.00 0.00 O ATOM 1908 CB LEU A 123 -31.670 -5.425 -7.780 1.00 0.00 C ATOM 1909 CG LEU A 123 -32.720 -5.872 -6.754 1.00 0.00 C ATOM 1910 CD1 LEU A 123 -33.243 -4.689 -5.960 1.00 0.00 C ATOM 1911 CD2 LEU A 123 -33.861 -6.611 -7.428 1.00 0.00 C ATOM 0 H LEU A 123 -29.479 -4.876 -9.056 1.00 0.00 H new ATOM 0 HA LEU A 123 -30.745 -3.962 -6.582 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -32.132 -4.706 -8.457 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -31.383 -6.289 -8.380 1.00 0.00 H new ATOM 0 HG LEU A 123 -32.235 -6.559 -6.060 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -33.986 -5.034 -5.240 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -32.418 -4.213 -5.430 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -33.702 -3.970 -6.638 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -34.590 -6.916 -6.678 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -34.341 -5.955 -8.155 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -33.473 -7.493 -7.937 1.00 0.00 H new ATOM 1923 N SER A 124 -28.826 -5.245 -5.466 1.00 0.00 N ATOM 1924 CA SER A 124 -27.945 -5.998 -4.627 1.00 0.00 C ATOM 1925 C SER A 124 -28.757 -6.769 -3.582 1.00 0.00 C ATOM 1926 O SER A 124 -28.931 -8.009 -3.739 1.00 0.00 O ATOM 1927 CB SER A 124 -26.965 -5.027 -3.974 1.00 0.00 C ATOM 1928 OG SER A 124 -26.459 -4.096 -4.949 1.00 0.00 O ATOM 1929 OXT SER A 124 -29.306 -6.134 -2.654 1.00 0.00 O ATOM 0 H SER A 124 -28.779 -4.239 -5.307 1.00 0.00 H new ATOM 0 HA SER A 124 -27.385 -6.730 -5.209 1.00 0.00 H new ATOM 0 HB2 SER A 124 -27.461 -4.486 -3.168 1.00 0.00 H new ATOM 0 HB3 SER A 124 -26.139 -5.580 -3.526 1.00 0.00 H new ATOM 0 HG SER A 124 -25.833 -3.478 -4.517 1.00 0.00 H new TER 1935 SER A 124