USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 961 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 37 THR OG1 : rot 180:sc= 0.00239 USER MOD Set 1.2: A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 76 THR OG1 : rot 180:sc= 0.0598 USER MOD Set 2.1: A 22 THR OG1 : rot -179:sc= -1.89 USER MOD Set 2.2: A 35 ASN : amide:sc= -28! C(o=-79!,f=-1e+02!) USER MOD Set 2.3: A 38 HIS : no HD1:sc= -49.2! C(o=-79!,f=-83!) USER MOD Set 3.1: A 29 LYS NZ :NH3+ 151:sc= -4.17! (180deg=-3.64!) USER MOD Set 3.2: A 105 THR OG1 : rot -150:sc= 1 USER MOD Single : A 2 SER OG : rot -30:sc= 0.207 USER MOD Single : A 3 ASN : amide:sc= -4.52! C(o=-4.5!,f=-17!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 50:sc= 0.47 USER MOD Single : A 16 TYR OH : rot -127:sc= -5.82! USER MOD Single : A 20 HIS : no HD1:sc= -59.5! C(o=-60!,f=-69!) USER MOD Single : A 21 SER OG : rot 96:sc= -1.55! USER MOD Single : A 24 SER OG : rot 178:sc= -2.6! USER MOD Single : A 26 MET CE :methyl -142:sc= -2.15! (180deg=-3.93!) USER MOD Single : A 27 LYS NZ :NH3+ -126:sc= -4.61! (180deg=-9.05!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc=-0.00638 (180deg=-0.00638) USER MOD Single : A 44 ASN : amide:sc= -52.2! C(o=-52!,f=-49!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -167:sc= -1.2 (180deg=-2.26!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -133:sc= -0.211 (180deg=-0.852) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 173:sc= -2.36! USER MOD Single : A 63 HIS : no HE2:sc= -34.3! C(o=-34!,f=-37!) USER MOD Single : A 67 GLN : amide:sc= -8.31! C(o=-8.3!,f=-6.9!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -31.7! C(o=-32!,f=-32!) USER MOD Single : A 81 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -1.72! K(o=-1.7!,f=-0.72) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -121:sc= -0.804! USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -5! K(o=-5!,f=-1.9) USER MOD Single : A 97 LYS NZ :NH3+ -155:sc= -0.876 (180deg=-2.46!) USER MOD Single : A 103 THR OG1 : rot -22:sc= -4.28! USER MOD Single : A 104 GLN : amide:sc= -2.97! K(o=-3!,f=-0.59) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot -90:sc= -3.81! USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= -9.47! C(o=-9.5!,f=-2.5!) USER MOD Single : A 118 HIS : no HD1:sc= -0.54 X(o=-0.54,f=-0.43) USER MOD Single : A 119 HIS : no HD1:sc= -0.534 K(o=-0.53,f=-1.3!) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 178:sc= -2.29! (180deg=-2.54!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -4.248 -7.071 10.765 1.00 1.00 N ATOM 2 CA SER A 2 -4.679 -6.530 9.444 1.00 1.00 C ATOM 3 C SER A 2 -5.049 -5.051 9.573 1.00 1.00 C ATOM 4 O SER A 2 -5.830 -4.527 8.804 1.00 1.00 O ATOM 5 CB SER A 2 -5.905 -7.357 9.059 1.00 1.00 C ATOM 6 OG SER A 2 -6.903 -7.212 10.060 1.00 1.00 O ATOM 0 HA SER A 2 -3.891 -6.595 8.694 1.00 1.00 H new ATOM 0 HB2 SER A 2 -6.291 -7.028 8.094 1.00 1.00 H new ATOM 0 HB3 SER A 2 -5.631 -8.407 8.952 1.00 1.00 H new ATOM 0 HG SER A 2 -6.476 -7.056 10.928 1.00 1.00 H new ATOM 12 N ASN A 3 -4.493 -4.372 10.540 1.00 1.00 N ATOM 13 CA ASN A 3 -4.815 -2.926 10.717 1.00 1.00 C ATOM 14 C ASN A 3 -3.829 -2.065 9.924 1.00 1.00 C ATOM 15 O ASN A 3 -3.753 -0.865 10.104 1.00 1.00 O ATOM 16 CB ASN A 3 -4.666 -2.669 12.217 1.00 1.00 C ATOM 17 CG ASN A 3 -4.626 -4.004 12.963 1.00 1.00 C ATOM 18 OD1 ASN A 3 -4.804 -5.050 12.370 1.00 1.00 O ATOM 19 ND2 ASN A 3 -4.397 -4.014 14.247 1.00 1.00 N ATOM 0 H ASN A 3 -3.831 -4.755 11.214 1.00 1.00 H new ATOM 0 HA ASN A 3 -5.814 -2.677 10.358 1.00 1.00 H new ATOM 0 HB2 ASN A 3 -3.754 -2.105 12.411 1.00 1.00 H new ATOM 0 HB3 ASN A 3 -5.498 -2.064 12.577 1.00 1.00 H new ATOM 0 HD21 ASN A 3 -4.367 -4.899 14.753 1.00 1.00 H new ATOM 0 HD22 ASN A 3 -4.248 -3.137 14.745 1.00 1.00 H new ATOM 26 N GLN A 4 -3.074 -2.666 9.046 1.00 1.00 N ATOM 27 CA GLN A 4 -2.094 -1.880 8.242 1.00 1.00 C ATOM 28 C GLN A 4 -2.495 -1.889 6.764 1.00 1.00 C ATOM 29 O GLN A 4 -2.903 -2.900 6.228 1.00 1.00 O ATOM 30 CB GLN A 4 -0.756 -2.593 8.438 1.00 1.00 C ATOM 31 CG GLN A 4 -0.199 -2.261 9.825 1.00 1.00 C ATOM 32 CD GLN A 4 1.306 -2.005 9.722 1.00 1.00 C ATOM 33 OE1 GLN A 4 1.731 -1.060 9.087 1.00 1.00 O ATOM 34 NE2 GLN A 4 2.135 -2.813 10.323 1.00 1.00 N ATOM 0 H GLN A 4 -3.093 -3.667 8.850 1.00 1.00 H new ATOM 0 HA GLN A 4 -2.048 -0.836 8.553 1.00 1.00 H new ATOM 0 HB2 GLN A 4 -0.887 -3.670 8.335 1.00 1.00 H new ATOM 0 HB3 GLN A 4 -0.050 -2.283 7.667 1.00 1.00 H new ATOM 0 HG2 GLN A 4 -0.701 -1.382 10.230 1.00 1.00 H new ATOM 0 HG3 GLN A 4 -0.393 -3.084 10.513 1.00 1.00 H new ATOM 0 HE21 GLN A 4 1.778 -3.606 10.856 1.00 1.00 H new ATOM 0 HE22 GLN A 4 3.140 -2.652 10.260 1.00 1.00 H new ATOM 43 N ILE A 5 -2.381 -0.771 6.101 1.00 1.00 N ATOM 44 CA ILE A 5 -2.755 -0.717 4.659 1.00 1.00 C ATOM 45 C ILE A 5 -1.499 -0.646 3.786 1.00 1.00 C ATOM 46 O ILE A 5 -1.018 0.421 3.462 1.00 1.00 O ATOM 47 CB ILE A 5 -3.581 0.562 4.513 1.00 1.00 C ATOM 48 CG1 ILE A 5 -4.037 0.711 3.059 1.00 1.00 C ATOM 49 CG2 ILE A 5 -2.727 1.768 4.904 1.00 1.00 C ATOM 50 CD1 ILE A 5 -4.302 2.186 2.756 1.00 1.00 C ATOM 0 H ILE A 5 -2.045 0.108 6.495 1.00 1.00 H new ATOM 0 HA ILE A 5 -3.310 -1.601 4.344 1.00 1.00 H new ATOM 0 HB ILE A 5 -4.453 0.507 5.165 1.00 1.00 H new ATOM 0 HG12 ILE A 5 -3.273 0.322 2.386 1.00 1.00 H new ATOM 0 HG13 ILE A 5 -4.941 0.126 2.888 1.00 1.00 H new ATOM 0 HG21 ILE A 5 -3.315 2.680 4.800 1.00 1.00 H new ATOM 0 HG22 ILE A 5 -2.401 1.663 5.939 1.00 1.00 H new ATOM 0 HG23 ILE A 5 -1.855 1.823 4.252 1.00 1.00 H new ATOM 0 HD11 ILE A 5 -4.627 2.292 1.721 1.00 1.00 H new ATOM 0 HD12 ILE A 5 -5.081 2.560 3.421 1.00 1.00 H new ATOM 0 HD13 ILE A 5 -3.388 2.759 2.910 1.00 1.00 H new ATOM 62 N TYR A 6 -0.966 -1.774 3.403 1.00 1.00 N ATOM 63 CA TYR A 6 0.258 -1.767 2.549 1.00 1.00 C ATOM 64 C TYR A 6 -0.033 -1.063 1.222 1.00 1.00 C ATOM 65 O TYR A 6 -1.151 -1.056 0.745 1.00 1.00 O ATOM 66 CB TYR A 6 0.589 -3.241 2.315 1.00 1.00 C ATOM 67 CG TYR A 6 1.080 -3.858 3.603 1.00 1.00 C ATOM 68 CD1 TYR A 6 0.511 -3.475 4.824 1.00 1.00 C ATOM 69 CD2 TYR A 6 2.104 -4.813 3.576 1.00 1.00 C ATOM 70 CE1 TYR A 6 0.966 -4.048 6.018 1.00 1.00 C ATOM 71 CE2 TYR A 6 2.558 -5.386 4.771 1.00 1.00 C ATOM 72 CZ TYR A 6 1.989 -5.003 5.991 1.00 1.00 C ATOM 73 OH TYR A 6 2.437 -5.568 7.168 1.00 1.00 O ATOM 0 H TYR A 6 -1.323 -2.699 3.643 1.00 1.00 H new ATOM 0 HA TYR A 6 1.087 -1.236 3.017 1.00 1.00 H new ATOM 0 HB2 TYR A 6 -0.295 -3.771 1.959 1.00 1.00 H new ATOM 0 HB3 TYR A 6 1.351 -3.335 1.541 1.00 1.00 H new ATOM 0 HD1 TYR A 6 -0.278 -2.738 4.845 1.00 1.00 H new ATOM 0 HD2 TYR A 6 2.543 -5.108 2.634 1.00 1.00 H new ATOM 0 HE1 TYR A 6 0.528 -3.753 6.960 1.00 1.00 H new ATOM 0 HE2 TYR A 6 3.347 -6.123 4.751 1.00 1.00 H new ATOM 0 HH TYR A 6 3.149 -6.212 6.971 1.00 1.00 H new ATOM 83 N SER A 7 0.962 -0.470 0.620 1.00 1.00 N ATOM 84 CA SER A 7 0.737 0.234 -0.674 1.00 1.00 C ATOM 85 C SER A 7 1.407 -0.529 -1.821 1.00 1.00 C ATOM 86 O SER A 7 2.446 -1.136 -1.653 1.00 1.00 O ATOM 87 CB SER A 7 1.383 1.606 -0.494 1.00 1.00 C ATOM 88 OG SER A 7 2.032 1.982 -1.702 1.00 1.00 O ATOM 0 H SER A 7 1.920 -0.443 0.968 1.00 1.00 H new ATOM 0 HA SER A 7 -0.322 0.309 -0.923 1.00 1.00 H new ATOM 0 HB2 SER A 7 0.627 2.345 -0.229 1.00 1.00 H new ATOM 0 HB3 SER A 7 2.102 1.578 0.325 1.00 1.00 H new ATOM 0 HG SER A 7 2.446 2.863 -1.590 1.00 1.00 H new ATOM 94 N ALA A 8 0.821 -0.497 -2.986 1.00 1.00 N ATOM 95 CA ALA A 8 1.421 -1.214 -4.148 1.00 1.00 C ATOM 96 C ALA A 8 1.060 -0.493 -5.450 1.00 1.00 C ATOM 97 O ALA A 8 0.111 0.265 -5.506 1.00 1.00 O ATOM 98 CB ALA A 8 0.800 -2.611 -4.117 1.00 1.00 C ATOM 0 H ALA A 8 -0.050 -0.004 -3.184 1.00 1.00 H new ATOM 0 HA ALA A 8 2.509 -1.254 -4.095 1.00 1.00 H new ATOM 0 HB1 ALA A 8 1.193 -3.202 -4.944 1.00 1.00 H new ATOM 0 HB2 ALA A 8 1.047 -3.098 -3.174 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -0.283 -2.530 -4.211 1.00 1.00 H new ATOM 104 N ARG A 9 1.806 -0.719 -6.496 1.00 1.00 N ATOM 105 CA ARG A 9 1.495 -0.038 -7.787 1.00 1.00 C ATOM 106 C ARG A 9 1.751 -0.982 -8.965 1.00 1.00 C ATOM 107 O ARG A 9 2.855 -1.444 -9.175 1.00 1.00 O ATOM 108 CB ARG A 9 2.444 1.159 -7.843 1.00 1.00 C ATOM 109 CG ARG A 9 2.504 1.698 -9.274 1.00 1.00 C ATOM 110 CD ARG A 9 3.944 1.631 -9.786 1.00 1.00 C ATOM 111 NE ARG A 9 4.736 2.434 -8.814 1.00 1.00 N ATOM 112 CZ ARG A 9 5.639 3.273 -9.242 1.00 1.00 C ATOM 113 NH1 ARG A 9 5.848 3.409 -10.522 1.00 1.00 N ATOM 114 NH2 ARG A 9 6.332 3.976 -8.388 1.00 1.00 N ATOM 0 H ARG A 9 2.613 -1.342 -6.514 1.00 1.00 H new ATOM 0 HA ARG A 9 0.450 0.266 -7.849 1.00 1.00 H new ATOM 0 HB2 ARG A 9 2.102 1.940 -7.163 1.00 1.00 H new ATOM 0 HB3 ARG A 9 3.440 0.863 -7.513 1.00 1.00 H new ATOM 0 HG2 ARG A 9 1.849 1.114 -9.921 1.00 1.00 H new ATOM 0 HG3 ARG A 9 2.145 2.727 -9.302 1.00 1.00 H new ATOM 0 HD2 ARG A 9 4.300 0.602 -9.830 1.00 1.00 H new ATOM 0 HD3 ARG A 9 4.024 2.039 -10.793 1.00 1.00 H new ATOM 0 HE ARG A 9 4.573 2.328 -7.813 1.00 1.00 H new ATOM 0 HH11 ARG A 9 5.306 2.860 -11.189 1.00 1.00 H new ATOM 0 HH12 ARG A 9 6.554 4.065 -10.857 1.00 1.00 H new ATOM 0 HH21 ARG A 9 6.167 3.869 -7.387 1.00 1.00 H new ATOM 0 HH22 ARG A 9 7.038 4.632 -8.722 1.00 1.00 H new ATOM 127 N TYR A 10 0.737 -1.269 -9.735 1.00 1.00 N ATOM 128 CA TYR A 10 0.919 -2.180 -10.900 1.00 1.00 C ATOM 129 C TYR A 10 0.030 -1.739 -12.067 1.00 1.00 C ATOM 130 O TYR A 10 -0.800 -0.862 -11.932 1.00 1.00 O ATOM 131 CB TYR A 10 0.493 -3.559 -10.394 1.00 1.00 C ATOM 132 CG TYR A 10 1.216 -3.869 -9.106 1.00 1.00 C ATOM 133 CD1 TYR A 10 0.912 -3.153 -7.942 1.00 1.00 C ATOM 134 CD2 TYR A 10 2.193 -4.873 -9.075 1.00 1.00 C ATOM 135 CE1 TYR A 10 1.584 -3.440 -6.747 1.00 1.00 C ATOM 136 CE2 TYR A 10 2.865 -5.159 -7.881 1.00 1.00 C ATOM 137 CZ TYR A 10 2.560 -4.443 -6.717 1.00 1.00 C ATOM 138 OH TYR A 10 3.222 -4.726 -5.540 1.00 1.00 O ATOM 0 H TYR A 10 -0.210 -0.912 -9.607 1.00 1.00 H new ATOM 0 HA TYR A 10 1.945 -2.178 -11.267 1.00 1.00 H new ATOM 0 HB2 TYR A 10 -0.585 -3.582 -10.233 1.00 1.00 H new ATOM 0 HB3 TYR A 10 0.720 -4.318 -11.142 1.00 1.00 H new ATOM 0 HD1 TYR A 10 0.159 -2.379 -7.965 1.00 1.00 H new ATOM 0 HD2 TYR A 10 2.427 -5.426 -9.972 1.00 1.00 H new ATOM 0 HE1 TYR A 10 1.349 -2.888 -5.849 1.00 1.00 H new ATOM 0 HE2 TYR A 10 3.619 -5.932 -7.857 1.00 1.00 H new ATOM 0 HH TYR A 10 3.866 -5.449 -5.693 1.00 1.00 H new ATOM 148 N SER A 11 0.193 -2.348 -13.209 1.00 1.00 N ATOM 149 CA SER A 11 -0.645 -1.977 -14.387 1.00 1.00 C ATOM 150 C SER A 11 -0.503 -0.485 -14.711 1.00 1.00 C ATOM 151 O SER A 11 -1.446 0.158 -15.127 1.00 1.00 O ATOM 152 CB SER A 11 -2.078 -2.300 -13.967 1.00 1.00 C ATOM 153 OG SER A 11 -2.872 -1.124 -14.068 1.00 1.00 O ATOM 0 H SER A 11 0.873 -3.089 -13.379 1.00 1.00 H new ATOM 0 HA SER A 11 -0.346 -2.517 -15.285 1.00 1.00 H new ATOM 0 HB2 SER A 11 -2.488 -3.085 -14.602 1.00 1.00 H new ATOM 0 HB3 SER A 11 -2.094 -2.677 -12.944 1.00 1.00 H new ATOM 0 HG SER A 11 -2.741 -0.715 -14.949 1.00 1.00 H new ATOM 159 N GLY A 12 0.667 0.067 -14.541 1.00 1.00 N ATOM 160 CA GLY A 12 0.863 1.512 -14.858 1.00 1.00 C ATOM 161 C GLY A 12 0.164 2.380 -13.809 1.00 1.00 C ATOM 162 O GLY A 12 0.326 3.583 -13.780 1.00 1.00 O ATOM 0 H GLY A 12 1.495 -0.418 -14.197 1.00 1.00 H new ATOM 0 HA2 GLY A 12 1.927 1.746 -14.884 1.00 1.00 H new ATOM 0 HA3 GLY A 12 0.464 1.732 -15.848 1.00 1.00 H new ATOM 166 N VAL A 13 -0.613 1.784 -12.948 1.00 1.00 N ATOM 167 CA VAL A 13 -1.319 2.584 -11.906 1.00 1.00 C ATOM 168 C VAL A 13 -0.998 2.034 -10.515 1.00 1.00 C ATOM 169 O VAL A 13 -1.043 0.843 -10.285 1.00 1.00 O ATOM 170 CB VAL A 13 -2.807 2.418 -12.219 1.00 1.00 C ATOM 171 CG1 VAL A 13 -3.636 2.920 -11.036 1.00 1.00 C ATOM 172 CG2 VAL A 13 -3.157 3.230 -13.468 1.00 1.00 C ATOM 0 H VAL A 13 -0.790 0.780 -12.920 1.00 1.00 H new ATOM 0 HA VAL A 13 -1.017 3.631 -11.912 1.00 1.00 H new ATOM 0 HB VAL A 13 -3.027 1.365 -12.395 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -4.696 2.802 -11.259 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -3.386 2.343 -10.146 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -3.417 3.973 -10.859 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -4.217 3.113 -13.693 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -2.938 4.283 -13.291 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -2.566 2.873 -14.311 1.00 1.00 H new ATOM 182 N ASP A 14 -0.662 2.890 -9.588 1.00 1.00 N ATOM 183 CA ASP A 14 -0.327 2.405 -8.219 1.00 1.00 C ATOM 184 C ASP A 14 -1.604 2.132 -7.421 1.00 1.00 C ATOM 185 O ASP A 14 -2.670 2.617 -7.746 1.00 1.00 O ATOM 186 CB ASP A 14 0.470 3.543 -7.581 1.00 1.00 C ATOM 187 CG ASP A 14 0.254 3.531 -6.066 1.00 1.00 C ATOM 188 OD1 ASP A 14 -0.430 2.640 -5.592 1.00 1.00 O ATOM 189 OD2 ASP A 14 0.776 4.415 -5.406 1.00 1.00 O ATOM 0 H ASP A 14 -0.605 3.900 -9.719 1.00 1.00 H new ATOM 0 HA ASP A 14 0.236 1.472 -8.240 1.00 1.00 H new ATOM 0 HB2 ASP A 14 1.530 3.431 -7.809 1.00 1.00 H new ATOM 0 HB3 ASP A 14 0.154 4.500 -7.996 1.00 1.00 H new ATOM 194 N VAL A 15 -1.502 1.351 -6.380 1.00 1.00 N ATOM 195 CA VAL A 15 -2.703 1.034 -5.558 1.00 1.00 C ATOM 196 C VAL A 15 -2.293 0.799 -4.102 1.00 1.00 C ATOM 197 O VAL A 15 -1.127 0.848 -3.761 1.00 1.00 O ATOM 198 CB VAL A 15 -3.275 -0.244 -6.167 1.00 1.00 C ATOM 199 CG1 VAL A 15 -2.131 -1.138 -6.649 1.00 1.00 C ATOM 200 CG2 VAL A 15 -4.094 -0.990 -5.110 1.00 1.00 C ATOM 0 H VAL A 15 -0.635 0.918 -6.063 1.00 1.00 H new ATOM 0 HA VAL A 15 -3.432 1.844 -5.558 1.00 1.00 H new ATOM 0 HB VAL A 15 -3.916 0.012 -7.011 1.00 1.00 H new ATOM 0 HG11 VAL A 15 -2.540 -2.050 -7.084 1.00 1.00 H new ATOM 0 HG12 VAL A 15 -1.547 -0.608 -7.401 1.00 1.00 H new ATOM 0 HG13 VAL A 15 -1.489 -1.394 -5.806 1.00 1.00 H new ATOM 0 HG21 VAL A 15 -4.503 -1.903 -5.544 1.00 1.00 H new ATOM 0 HG22 VAL A 15 -3.453 -1.245 -4.266 1.00 1.00 H new ATOM 0 HG23 VAL A 15 -4.910 -0.354 -4.767 1.00 1.00 H new ATOM 210 N TYR A 16 -3.237 0.535 -3.241 1.00 1.00 N ATOM 211 CA TYR A 16 -2.894 0.287 -1.811 1.00 1.00 C ATOM 212 C TYR A 16 -3.269 -1.147 -1.430 1.00 1.00 C ATOM 213 O TYR A 16 -4.232 -1.696 -1.925 1.00 1.00 O ATOM 214 CB TYR A 16 -3.734 1.290 -1.020 1.00 1.00 C ATOM 215 CG TYR A 16 -4.089 2.460 -1.906 1.00 1.00 C ATOM 216 CD1 TYR A 16 -3.074 3.219 -2.504 1.00 1.00 C ATOM 217 CD2 TYR A 16 -5.432 2.786 -2.132 1.00 1.00 C ATOM 218 CE1 TYR A 16 -3.403 4.303 -3.325 1.00 1.00 C ATOM 219 CE2 TYR A 16 -5.760 3.870 -2.953 1.00 1.00 C ATOM 220 CZ TYR A 16 -4.746 4.629 -3.550 1.00 1.00 C ATOM 221 OH TYR A 16 -5.070 5.699 -4.360 1.00 1.00 O ATOM 0 H TYR A 16 -4.231 0.480 -3.465 1.00 1.00 H new ATOM 0 HA TYR A 16 -1.829 0.406 -1.611 1.00 1.00 H new ATOM 0 HB2 TYR A 16 -4.641 0.810 -0.652 1.00 1.00 H new ATOM 0 HB3 TYR A 16 -3.180 1.636 -0.147 1.00 1.00 H new ATOM 0 HD1 TYR A 16 -2.038 2.967 -2.331 1.00 1.00 H new ATOM 0 HD2 TYR A 16 -6.215 2.200 -1.672 1.00 1.00 H new ATOM 0 HE1 TYR A 16 -2.621 4.888 -3.785 1.00 1.00 H new ATOM 0 HE2 TYR A 16 -6.796 4.122 -3.127 1.00 1.00 H new ATOM 0 HH TYR A 16 -5.678 6.300 -3.881 1.00 1.00 H new ATOM 231 N GLU A 17 -2.518 -1.759 -0.557 1.00 1.00 N ATOM 232 CA GLU A 17 -2.839 -3.159 -0.156 1.00 1.00 C ATOM 233 C GLU A 17 -3.099 -3.235 1.350 1.00 1.00 C ATOM 234 O GLU A 17 -2.257 -2.885 2.154 1.00 1.00 O ATOM 235 CB GLU A 17 -1.599 -3.972 -0.528 1.00 1.00 C ATOM 236 CG GLU A 17 -0.373 -3.385 0.175 1.00 1.00 C ATOM 237 CD GLU A 17 0.535 -4.520 0.651 1.00 1.00 C ATOM 238 OE1 GLU A 17 0.158 -5.199 1.592 1.00 1.00 O ATOM 239 OE2 GLU A 17 1.592 -4.690 0.067 1.00 1.00 O ATOM 0 H GLU A 17 -1.699 -1.353 -0.105 1.00 1.00 H new ATOM 0 HA GLU A 17 -3.736 -3.533 -0.650 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -1.734 -5.014 -0.237 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -1.453 -3.959 -1.608 1.00 1.00 H new ATOM 0 HG2 GLU A 17 0.171 -2.731 -0.506 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -0.684 -2.774 1.023 1.00 1.00 H new ATOM 246 N PHE A 18 -4.257 -3.696 1.737 1.00 1.00 N ATOM 247 CA PHE A 18 -4.572 -3.799 3.190 1.00 1.00 C ATOM 248 C PHE A 18 -5.260 -5.136 3.479 1.00 1.00 C ATOM 249 O PHE A 18 -6.104 -5.585 2.728 1.00 1.00 O ATOM 250 CB PHE A 18 -5.522 -2.634 3.473 1.00 1.00 C ATOM 251 CG PHE A 18 -6.056 -2.748 4.881 1.00 1.00 C ATOM 252 CD1 PHE A 18 -6.775 -3.884 5.268 1.00 1.00 C ATOM 253 CD2 PHE A 18 -5.833 -1.714 5.799 1.00 1.00 C ATOM 254 CE1 PHE A 18 -7.272 -3.988 6.574 1.00 1.00 C ATOM 255 CE2 PHE A 18 -6.329 -1.818 7.103 1.00 1.00 C ATOM 256 CZ PHE A 18 -7.049 -2.954 7.491 1.00 1.00 C ATOM 0 H PHE A 18 -4.999 -4.006 1.109 1.00 1.00 H new ATOM 0 HA PHE A 18 -3.680 -3.755 3.814 1.00 1.00 H new ATOM 0 HB2 PHE A 18 -4.999 -1.686 3.347 1.00 1.00 H new ATOM 0 HB3 PHE A 18 -6.346 -2.641 2.759 1.00 1.00 H new ATOM 0 HD1 PHE A 18 -6.947 -4.681 4.560 1.00 1.00 H new ATOM 0 HD2 PHE A 18 -5.278 -0.837 5.500 1.00 1.00 H new ATOM 0 HE1 PHE A 18 -7.827 -4.865 6.873 1.00 1.00 H new ATOM 0 HE2 PHE A 18 -6.156 -1.021 7.811 1.00 1.00 H new ATOM 0 HZ PHE A 18 -7.432 -3.033 8.498 1.00 1.00 H new ATOM 266 N ILE A 19 -4.908 -5.778 4.559 1.00 1.00 N ATOM 267 CA ILE A 19 -5.545 -7.087 4.889 1.00 1.00 C ATOM 268 C ILE A 19 -6.889 -6.860 5.584 1.00 1.00 C ATOM 269 O ILE A 19 -6.987 -6.113 6.537 1.00 1.00 O ATOM 270 CB ILE A 19 -4.562 -7.779 5.832 1.00 1.00 C ATOM 271 CG1 ILE A 19 -3.321 -8.209 5.046 1.00 1.00 C ATOM 272 CG2 ILE A 19 -5.226 -9.013 6.446 1.00 1.00 C ATOM 273 CD1 ILE A 19 -3.158 -7.313 3.816 1.00 1.00 C ATOM 0 H ILE A 19 -4.208 -5.455 5.227 1.00 1.00 H new ATOM 0 HA ILE A 19 -5.745 -7.685 4.000 1.00 1.00 H new ATOM 0 HB ILE A 19 -4.272 -7.089 6.625 1.00 1.00 H new ATOM 0 HG12 ILE A 19 -2.436 -8.141 5.678 1.00 1.00 H new ATOM 0 HG13 ILE A 19 -3.415 -9.251 4.740 1.00 1.00 H new ATOM 0 HG21 ILE A 19 -4.525 -9.507 7.119 1.00 1.00 H new ATOM 0 HG22 ILE A 19 -6.112 -8.710 7.004 1.00 1.00 H new ATOM 0 HG23 ILE A 19 -5.515 -9.703 5.653 1.00 1.00 H new ATOM 0 HD11 ILE A 19 -2.274 -7.620 3.257 1.00 1.00 H new ATOM 0 HD12 ILE A 19 -4.039 -7.404 3.181 1.00 1.00 H new ATOM 0 HD13 ILE A 19 -3.045 -6.276 4.133 1.00 1.00 H new ATOM 285 N HIS A 20 -7.923 -7.500 5.116 1.00 1.00 N ATOM 286 CA HIS A 20 -9.260 -7.324 5.751 1.00 1.00 C ATOM 287 C HIS A 20 -10.091 -8.598 5.588 1.00 1.00 C ATOM 288 O HIS A 20 -9.595 -9.697 5.737 1.00 1.00 O ATOM 289 CB HIS A 20 -9.905 -6.159 4.999 1.00 1.00 C ATOM 290 CG HIS A 20 -9.527 -4.864 5.661 1.00 1.00 C ATOM 291 ND1 HIS A 20 -9.062 -3.774 4.942 1.00 1.00 N ATOM 292 CD2 HIS A 20 -9.536 -4.469 6.976 1.00 1.00 C ATOM 293 CE1 HIS A 20 -8.814 -2.785 5.819 1.00 1.00 C ATOM 294 NE2 HIS A 20 -9.086 -3.156 7.074 1.00 1.00 N ATOM 0 H HIS A 20 -7.901 -8.138 4.321 1.00 1.00 H new ATOM 0 HA HIS A 20 -9.189 -7.127 6.821 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -9.577 -6.157 3.959 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -10.989 -6.273 4.991 1.00 1.00 H new ATOM 0 HD2 HIS A 20 -9.845 -5.084 7.808 1.00 1.00 H new ATOM 0 HE1 HIS A 20 -8.441 -1.810 5.543 1.00 1.00 H new ATOM 0 HE2 HIS A 20 -8.985 -2.597 7.921 1.00 1.00 H new ATOM 302 N SER A 21 -11.351 -8.462 5.275 1.00 1.00 N ATOM 303 CA SER A 21 -12.206 -9.670 5.095 1.00 1.00 C ATOM 304 C SER A 21 -11.681 -10.510 3.929 1.00 1.00 C ATOM 305 O SER A 21 -11.636 -11.723 3.994 1.00 1.00 O ATOM 306 CB SER A 21 -13.599 -9.126 4.781 1.00 1.00 C ATOM 307 OG SER A 21 -14.246 -9.997 3.862 1.00 1.00 O ATOM 0 H SER A 21 -11.824 -7.569 5.136 1.00 1.00 H new ATOM 0 HA SER A 21 -12.211 -10.312 5.976 1.00 1.00 H new ATOM 0 HB2 SER A 21 -14.185 -9.044 5.696 1.00 1.00 H new ATOM 0 HB3 SER A 21 -13.524 -8.124 4.359 1.00 1.00 H new ATOM 0 HG SER A 21 -14.818 -10.624 4.352 1.00 1.00 H new ATOM 313 N THR A 22 -11.269 -9.872 2.868 1.00 1.00 N ATOM 314 CA THR A 22 -10.731 -10.627 1.704 1.00 1.00 C ATOM 315 C THR A 22 -9.208 -10.686 1.798 1.00 1.00 C ATOM 316 O THR A 22 -8.526 -11.037 0.856 1.00 1.00 O ATOM 317 CB THR A 22 -11.165 -9.830 0.473 1.00 1.00 C ATOM 318 OG1 THR A 22 -12.025 -8.773 0.876 1.00 1.00 O ATOM 319 CG2 THR A 22 -11.904 -10.749 -0.500 1.00 1.00 C ATOM 0 H THR A 22 -11.282 -8.858 2.758 1.00 1.00 H new ATOM 0 HA THR A 22 -11.096 -11.653 1.664 1.00 1.00 H new ATOM 0 HB THR A 22 -10.286 -9.417 -0.021 1.00 1.00 H new ATOM 0 HG1 THR A 22 -12.316 -8.269 0.087 1.00 1.00 H new ATOM 0 HG21 THR A 22 -12.212 -10.179 -1.376 1.00 1.00 H new ATOM 0 HG22 THR A 22 -11.243 -11.559 -0.808 1.00 1.00 H new ATOM 0 HG23 THR A 22 -12.784 -11.165 -0.010 1.00 1.00 H new ATOM 327 N GLY A 23 -8.670 -10.325 2.931 1.00 1.00 N ATOM 328 CA GLY A 23 -7.192 -10.339 3.091 1.00 1.00 C ATOM 329 C GLY A 23 -6.645 -8.954 2.747 1.00 1.00 C ATOM 330 O GLY A 23 -7.005 -7.966 3.357 1.00 1.00 O ATOM 0 H GLY A 23 -9.193 -10.021 3.753 1.00 1.00 H new ATOM 0 HA2 GLY A 23 -6.926 -10.606 4.114 1.00 1.00 H new ATOM 0 HA3 GLY A 23 -6.749 -11.092 2.439 1.00 1.00 H new ATOM 334 N SER A 24 -5.783 -8.870 1.774 1.00 1.00 N ATOM 335 CA SER A 24 -5.216 -7.546 1.390 1.00 1.00 C ATOM 336 C SER A 24 -6.155 -6.831 0.413 1.00 1.00 C ATOM 337 O SER A 24 -6.758 -7.444 -0.444 1.00 1.00 O ATOM 338 CB SER A 24 -3.884 -7.866 0.715 1.00 1.00 C ATOM 339 OG SER A 24 -4.081 -7.972 -0.689 1.00 1.00 O ATOM 0 H SER A 24 -5.445 -9.662 1.226 1.00 1.00 H new ATOM 0 HA SER A 24 -5.090 -6.887 2.249 1.00 1.00 H new ATOM 0 HB2 SER A 24 -3.156 -7.085 0.933 1.00 1.00 H new ATOM 0 HB3 SER A 24 -3.479 -8.798 1.108 1.00 1.00 H new ATOM 0 HG SER A 24 -3.223 -8.152 -1.127 1.00 1.00 H new ATOM 345 N ILE A 25 -6.280 -5.538 0.538 1.00 1.00 N ATOM 346 CA ILE A 25 -7.178 -4.783 -0.383 1.00 1.00 C ATOM 347 C ILE A 25 -6.355 -3.846 -1.270 1.00 1.00 C ATOM 348 O ILE A 25 -5.621 -3.007 -0.788 1.00 1.00 O ATOM 349 CB ILE A 25 -8.094 -3.976 0.536 1.00 1.00 C ATOM 350 CG1 ILE A 25 -9.335 -4.806 0.876 1.00 1.00 C ATOM 351 CG2 ILE A 25 -8.523 -2.690 -0.173 1.00 1.00 C ATOM 352 CD1 ILE A 25 -10.558 -4.203 0.184 1.00 1.00 C ATOM 0 H ILE A 25 -5.800 -4.972 1.237 1.00 1.00 H new ATOM 0 HA ILE A 25 -7.739 -5.441 -1.047 1.00 1.00 H new ATOM 0 HB ILE A 25 -7.560 -3.726 1.453 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -9.194 -5.838 0.555 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -9.488 -4.826 1.955 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -9.176 -2.114 0.482 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -7.641 -2.098 -0.418 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -9.057 -2.941 -1.089 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -11.441 -4.794 0.426 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -10.702 -3.178 0.527 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -10.404 -4.206 -0.895 1.00 1.00 H new ATOM 364 N MET A 26 -6.471 -3.979 -2.564 1.00 1.00 N ATOM 365 CA MET A 26 -5.689 -3.088 -3.470 1.00 1.00 C ATOM 366 C MET A 26 -6.601 -2.020 -4.082 1.00 1.00 C ATOM 367 O MET A 26 -7.608 -2.321 -4.690 1.00 1.00 O ATOM 368 CB MET A 26 -5.144 -4.013 -4.559 1.00 1.00 C ATOM 369 CG MET A 26 -3.617 -4.061 -4.472 1.00 1.00 C ATOM 370 SD MET A 26 -3.124 -4.533 -2.795 1.00 1.00 S ATOM 371 CE MET A 26 -1.685 -5.529 -3.255 1.00 1.00 C ATOM 0 H MET A 26 -7.069 -4.661 -3.031 1.00 1.00 H new ATOM 0 HA MET A 26 -4.893 -2.561 -2.944 1.00 1.00 H new ATOM 0 HB2 MET A 26 -5.557 -5.015 -4.440 1.00 1.00 H new ATOM 0 HB3 MET A 26 -5.452 -3.656 -5.542 1.00 1.00 H new ATOM 0 HG2 MET A 26 -3.223 -4.777 -5.194 1.00 1.00 H new ATOM 0 HG3 MET A 26 -3.197 -3.088 -4.726 1.00 1.00 H new ATOM 0 HE1 MET A 26 -1.622 -6.400 -2.603 1.00 1.00 H new ATOM 0 HE2 MET A 26 -1.785 -5.857 -4.290 1.00 1.00 H new ATOM 0 HE3 MET A 26 -0.780 -4.931 -3.150 1.00 1.00 H new ATOM 381 N LYS A 27 -6.254 -0.773 -3.918 1.00 1.00 N ATOM 382 CA LYS A 27 -7.099 0.320 -4.481 1.00 1.00 C ATOM 383 C LYS A 27 -6.380 1.007 -5.646 1.00 1.00 C ATOM 384 O LYS A 27 -5.173 0.945 -5.769 1.00 1.00 O ATOM 385 CB LYS A 27 -7.301 1.299 -3.325 1.00 1.00 C ATOM 386 CG LYS A 27 -8.309 0.717 -2.333 1.00 1.00 C ATOM 387 CD LYS A 27 -8.341 1.580 -1.071 1.00 1.00 C ATOM 388 CE LYS A 27 -9.352 2.714 -1.251 1.00 1.00 C ATOM 389 NZ LYS A 27 -8.638 3.741 -2.057 1.00 1.00 N ATOM 0 H LYS A 27 -5.421 -0.463 -3.418 1.00 1.00 H new ATOM 0 HA LYS A 27 -8.046 -0.053 -4.872 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -6.351 1.489 -2.825 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -7.659 2.256 -3.704 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -9.300 0.679 -2.785 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -8.035 -0.307 -2.079 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -8.612 0.971 -0.208 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -7.351 1.990 -0.873 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -10.250 2.365 -1.762 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -9.669 3.117 -0.289 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -8.676 4.657 -1.565 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -7.646 3.456 -2.181 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -9.092 3.829 -2.988 1.00 1.00 H new ATOM 402 N ARG A 28 -7.116 1.664 -6.502 1.00 1.00 N ATOM 403 CA ARG A 28 -6.479 2.356 -7.659 1.00 1.00 C ATOM 404 C ARG A 28 -6.055 3.772 -7.257 1.00 1.00 C ATOM 405 O ARG A 28 -6.796 4.498 -6.626 1.00 1.00 O ATOM 406 CB ARG A 28 -7.563 2.406 -8.736 1.00 1.00 C ATOM 407 CG ARG A 28 -7.010 1.841 -10.045 1.00 1.00 C ATOM 408 CD ARG A 28 -7.970 0.781 -10.591 1.00 1.00 C ATOM 409 NE ARG A 28 -8.641 1.432 -11.752 1.00 1.00 N ATOM 410 CZ ARG A 28 -9.715 2.149 -11.565 1.00 1.00 C ATOM 411 NH1 ARG A 28 -10.200 2.299 -10.363 1.00 1.00 N ATOM 412 NH2 ARG A 28 -10.304 2.718 -12.581 1.00 1.00 N ATOM 0 H ARG A 28 -8.131 1.751 -6.450 1.00 1.00 H new ATOM 0 HA ARG A 28 -5.583 1.842 -8.007 1.00 1.00 H new ATOM 0 HB2 ARG A 28 -8.433 1.831 -8.418 1.00 1.00 H new ATOM 0 HB3 ARG A 28 -7.897 3.433 -8.883 1.00 1.00 H new ATOM 0 HG2 ARG A 28 -6.883 2.642 -10.774 1.00 1.00 H new ATOM 0 HG3 ARG A 28 -6.026 1.403 -9.877 1.00 1.00 H new ATOM 0 HD2 ARG A 28 -7.434 -0.117 -10.897 1.00 1.00 H new ATOM 0 HD3 ARG A 28 -8.695 0.477 -9.835 1.00 1.00 H new ATOM 0 HE ARG A 28 -8.261 1.317 -12.692 1.00 1.00 H new ATOM 0 HH11 ARG A 28 -9.739 1.856 -9.568 1.00 1.00 H new ATOM 0 HH12 ARG A 28 -11.040 2.860 -10.218 1.00 1.00 H new ATOM 0 HH21 ARG A 28 -9.925 2.602 -13.521 1.00 1.00 H new ATOM 0 HH22 ARG A 28 -11.144 3.279 -12.435 1.00 1.00 H new ATOM 425 N LYS A 29 -4.867 4.171 -7.622 1.00 1.00 N ATOM 426 CA LYS A 29 -4.396 5.540 -7.265 1.00 1.00 C ATOM 427 C LYS A 29 -5.207 6.594 -8.024 1.00 1.00 C ATOM 428 O LYS A 29 -5.549 7.631 -7.490 1.00 1.00 O ATOM 429 CB LYS A 29 -2.931 5.580 -7.690 1.00 1.00 C ATOM 430 CG LYS A 29 -2.164 4.459 -6.986 1.00 1.00 C ATOM 431 CD LYS A 29 -1.432 5.028 -5.769 1.00 1.00 C ATOM 432 CE LYS A 29 -0.274 5.912 -6.236 1.00 1.00 C ATOM 433 NZ LYS A 29 0.327 6.451 -4.985 1.00 1.00 N ATOM 0 H LYS A 29 -4.202 3.608 -8.152 1.00 1.00 H new ATOM 0 HA LYS A 29 -4.516 5.753 -6.203 1.00 1.00 H new ATOM 0 HB2 LYS A 29 -2.852 5.466 -8.771 1.00 1.00 H new ATOM 0 HB3 LYS A 29 -2.495 6.547 -7.439 1.00 1.00 H new ATOM 0 HG2 LYS A 29 -2.852 3.673 -6.675 1.00 1.00 H new ATOM 0 HG3 LYS A 29 -1.450 4.005 -7.673 1.00 1.00 H new ATOM 0 HD2 LYS A 29 -2.121 5.608 -5.155 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -1.056 4.217 -5.146 1.00 1.00 H new ATOM 0 HE2 LYS A 29 0.455 5.338 -6.809 1.00 1.00 H new ATOM 0 HE3 LYS A 29 -0.627 6.715 -6.883 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 1.340 6.633 -5.137 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 -0.149 7.338 -4.725 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 0.211 5.759 -4.218 1.00 1.00 H new ATOM 446 N LYS A 30 -5.513 6.338 -9.266 1.00 1.00 N ATOM 447 CA LYS A 30 -6.297 7.326 -10.062 1.00 1.00 C ATOM 448 C LYS A 30 -7.505 7.819 -9.258 1.00 1.00 C ATOM 449 O LYS A 30 -7.618 8.987 -8.945 1.00 1.00 O ATOM 450 CB LYS A 30 -6.754 6.559 -11.303 1.00 1.00 C ATOM 451 CG LYS A 30 -5.590 6.441 -12.288 1.00 1.00 C ATOM 452 CD LYS A 30 -6.135 6.208 -13.698 1.00 1.00 C ATOM 453 CE LYS A 30 -7.144 7.304 -14.044 1.00 1.00 C ATOM 454 NZ LYS A 30 -7.373 7.167 -15.509 1.00 1.00 N ATOM 0 H LYS A 30 -5.254 5.487 -9.765 1.00 1.00 H new ATOM 0 HA LYS A 30 -5.710 8.207 -10.320 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -7.107 5.567 -11.021 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -7.592 7.074 -11.774 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -4.987 7.349 -12.265 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -4.937 5.618 -11.999 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -5.318 6.210 -14.420 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -6.611 5.229 -13.758 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -8.072 7.177 -13.486 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -6.755 8.292 -13.796 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -8.056 7.886 -15.822 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -6.474 7.299 -16.015 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -7.750 6.220 -15.714 1.00 1.00 H new ATOM 467 N ASP A 31 -8.409 6.939 -8.927 1.00 1.00 N ATOM 468 CA ASP A 31 -9.609 7.361 -8.148 1.00 1.00 C ATOM 469 C ASP A 31 -9.602 6.709 -6.762 1.00 1.00 C ATOM 470 O ASP A 31 -10.584 6.736 -6.049 1.00 1.00 O ATOM 471 CB ASP A 31 -10.804 6.871 -8.965 1.00 1.00 C ATOM 472 CG ASP A 31 -11.870 7.966 -9.022 1.00 1.00 C ATOM 473 OD1 ASP A 31 -11.856 8.823 -8.153 1.00 1.00 O ATOM 474 OD2 ASP A 31 -12.680 7.931 -9.933 1.00 1.00 O ATOM 0 H ASP A 31 -8.370 5.947 -9.161 1.00 1.00 H new ATOM 0 HA ASP A 31 -9.637 8.439 -7.989 1.00 1.00 H new ATOM 0 HB2 ASP A 31 -10.485 6.608 -9.973 1.00 1.00 H new ATOM 0 HB3 ASP A 31 -11.219 5.969 -8.516 1.00 1.00 H new ATOM 479 N ASP A 32 -8.502 6.124 -6.376 1.00 1.00 N ATOM 480 CA ASP A 32 -8.434 5.473 -5.037 1.00 1.00 C ATOM 481 C ASP A 32 -9.609 4.509 -4.853 1.00 1.00 C ATOM 482 O ASP A 32 -10.346 4.589 -3.891 1.00 1.00 O ATOM 483 CB ASP A 32 -8.524 6.624 -4.034 1.00 1.00 C ATOM 484 CG ASP A 32 -7.923 7.889 -4.650 1.00 1.00 C ATOM 485 OD1 ASP A 32 -7.813 7.937 -5.864 1.00 1.00 O ATOM 486 OD2 ASP A 32 -7.583 8.786 -3.898 1.00 1.00 O ATOM 0 H ASP A 32 -7.647 6.068 -6.930 1.00 1.00 H new ATOM 0 HA ASP A 32 -7.523 4.888 -4.909 1.00 1.00 H new ATOM 0 HB2 ASP A 32 -9.564 6.800 -3.759 1.00 1.00 H new ATOM 0 HB3 ASP A 32 -7.992 6.365 -3.119 1.00 1.00 H new ATOM 491 N TRP A 33 -9.789 3.596 -5.769 1.00 1.00 N ATOM 492 CA TRP A 33 -10.916 2.627 -5.644 1.00 1.00 C ATOM 493 C TRP A 33 -10.563 1.540 -4.624 1.00 1.00 C ATOM 494 O TRP A 33 -9.408 1.309 -4.324 1.00 1.00 O ATOM 495 CB TRP A 33 -11.078 2.022 -7.038 1.00 1.00 C ATOM 496 CG TRP A 33 -10.908 3.091 -8.069 1.00 1.00 C ATOM 497 CD1 TRP A 33 -9.744 3.717 -8.353 1.00 1.00 C ATOM 498 CD2 TRP A 33 -11.911 3.669 -8.953 1.00 1.00 C ATOM 499 NE1 TRP A 33 -9.969 4.642 -9.357 1.00 1.00 N ATOM 500 CE2 TRP A 33 -11.289 4.650 -9.760 1.00 1.00 C ATOM 501 CE3 TRP A 33 -13.287 3.439 -9.133 1.00 1.00 C ATOM 502 CZ2 TRP A 33 -12.005 5.377 -10.711 1.00 1.00 C ATOM 503 CZ3 TRP A 33 -14.012 4.169 -10.089 1.00 1.00 C ATOM 504 CH2 TRP A 33 -13.373 5.136 -10.876 1.00 1.00 C ATOM 0 H TRP A 33 -9.205 3.479 -6.597 1.00 1.00 H new ATOM 0 HA TRP A 33 -11.834 3.103 -5.300 1.00 1.00 H new ATOM 0 HB2 TRP A 33 -10.341 1.234 -7.192 1.00 1.00 H new ATOM 0 HB3 TRP A 33 -12.062 1.562 -7.134 1.00 1.00 H new ATOM 0 HD1 TRP A 33 -8.795 3.526 -7.875 1.00 1.00 H new ATOM 0 HE1 TRP A 33 -9.247 5.245 -9.751 1.00 1.00 H new ATOM 0 HE3 TRP A 33 -13.790 2.696 -8.532 1.00 1.00 H new ATOM 0 HZ2 TRP A 33 -11.507 6.121 -11.316 1.00 1.00 H new ATOM 0 HZ3 TRP A 33 -15.068 3.984 -10.218 1.00 1.00 H new ATOM 0 HH2 TRP A 33 -13.936 5.695 -11.609 1.00 1.00 H new ATOM 515 N VAL A 34 -11.548 0.871 -4.088 1.00 1.00 N ATOM 516 CA VAL A 34 -11.263 -0.200 -3.089 1.00 1.00 C ATOM 517 C VAL A 34 -12.053 -1.465 -3.434 1.00 1.00 C ATOM 518 O VAL A 34 -13.144 -1.401 -3.964 1.00 1.00 O ATOM 519 CB VAL A 34 -11.726 0.374 -1.750 1.00 1.00 C ATOM 520 CG1 VAL A 34 -13.148 -0.105 -1.453 1.00 1.00 C ATOM 521 CG2 VAL A 34 -10.786 -0.102 -0.640 1.00 1.00 C ATOM 0 H VAL A 34 -12.535 1.019 -4.298 1.00 1.00 H new ATOM 0 HA VAL A 34 -10.209 -0.478 -3.069 1.00 1.00 H new ATOM 0 HB VAL A 34 -11.712 1.463 -1.797 1.00 1.00 H new ATOM 0 HG11 VAL A 34 -13.478 0.304 -0.498 1.00 1.00 H new ATOM 0 HG12 VAL A 34 -13.818 0.233 -2.244 1.00 1.00 H new ATOM 0 HG13 VAL A 34 -13.163 -1.194 -1.405 1.00 1.00 H new ATOM 0 HG21 VAL A 34 -11.115 0.307 0.315 1.00 1.00 H new ATOM 0 HG22 VAL A 34 -10.800 -1.191 -0.593 1.00 1.00 H new ATOM 0 HG23 VAL A 34 -9.772 0.239 -0.851 1.00 1.00 H new ATOM 531 N ASN A 35 -11.510 -2.615 -3.138 1.00 1.00 N ATOM 532 CA ASN A 35 -12.232 -3.883 -3.451 1.00 1.00 C ATOM 533 C ASN A 35 -13.554 -3.946 -2.681 1.00 1.00 C ATOM 534 O ASN A 35 -13.590 -4.290 -1.516 1.00 1.00 O ATOM 535 CB ASN A 35 -11.290 -4.997 -2.992 1.00 1.00 C ATOM 536 CG ASN A 35 -12.110 -6.200 -2.524 1.00 1.00 C ATOM 537 OD1 ASN A 35 -13.245 -6.054 -2.115 1.00 1.00 O ATOM 538 ND2 ASN A 35 -11.581 -7.392 -2.568 1.00 1.00 N ATOM 0 H ASN A 35 -10.599 -2.732 -2.694 1.00 1.00 H new ATOM 0 HA ASN A 35 -12.479 -3.967 -4.509 1.00 1.00 H new ATOM 0 HB2 ASN A 35 -10.630 -5.289 -3.809 1.00 1.00 H new ATOM 0 HB3 ASN A 35 -10.655 -4.639 -2.182 1.00 1.00 H new ATOM 0 HD21 ASN A 35 -12.120 -8.201 -2.259 1.00 1.00 H new ATOM 0 HD22 ASN A 35 -10.628 -7.515 -2.911 1.00 1.00 H new ATOM 545 N ALA A 36 -14.641 -3.616 -3.324 1.00 1.00 N ATOM 546 CA ALA A 36 -15.962 -3.656 -2.632 1.00 1.00 C ATOM 547 C ALA A 36 -16.089 -4.931 -1.792 1.00 1.00 C ATOM 548 O ALA A 36 -16.840 -4.979 -0.838 1.00 1.00 O ATOM 549 CB ALA A 36 -16.997 -3.650 -3.757 1.00 1.00 C ATOM 0 H ALA A 36 -14.672 -3.320 -4.300 1.00 1.00 H new ATOM 0 HA ALA A 36 -16.094 -2.816 -1.949 1.00 1.00 H new ATOM 0 HB1 ALA A 36 -17.999 -3.678 -3.329 1.00 1.00 H new ATOM 0 HB2 ALA A 36 -16.882 -2.744 -4.353 1.00 1.00 H new ATOM 0 HB3 ALA A 36 -16.849 -4.523 -4.392 1.00 1.00 H new ATOM 555 N THR A 37 -15.360 -5.961 -2.128 1.00 1.00 N ATOM 556 CA THR A 37 -15.449 -7.219 -1.332 1.00 1.00 C ATOM 557 C THR A 37 -15.007 -6.948 0.106 1.00 1.00 C ATOM 558 O THR A 37 -15.663 -7.331 1.053 1.00 1.00 O ATOM 559 CB THR A 37 -14.494 -8.201 -2.011 1.00 1.00 C ATOM 560 OG1 THR A 37 -14.826 -8.307 -3.388 1.00 1.00 O ATOM 561 CG2 THR A 37 -14.619 -9.572 -1.344 1.00 1.00 C ATOM 0 H THR A 37 -14.711 -5.986 -2.914 1.00 1.00 H new ATOM 0 HA THR A 37 -16.464 -7.614 -1.293 1.00 1.00 H new ATOM 0 HB THR A 37 -13.469 -7.843 -1.914 1.00 1.00 H new ATOM 0 HG1 THR A 37 -14.213 -8.935 -3.825 1.00 1.00 H new ATOM 0 HG21 THR A 37 -13.939 -10.274 -1.826 1.00 1.00 H new ATOM 0 HG22 THR A 37 -14.364 -9.487 -0.288 1.00 1.00 H new ATOM 0 HG23 THR A 37 -15.643 -9.932 -1.442 1.00 1.00 H new ATOM 569 N HIS A 38 -13.905 -6.269 0.274 1.00 1.00 N ATOM 570 CA HIS A 38 -13.434 -5.953 1.650 1.00 1.00 C ATOM 571 C HIS A 38 -14.472 -5.063 2.334 1.00 1.00 C ATOM 572 O HIS A 38 -14.624 -5.069 3.539 1.00 1.00 O ATOM 573 CB HIS A 38 -12.113 -5.207 1.463 1.00 1.00 C ATOM 574 CG HIS A 38 -11.004 -6.202 1.251 1.00 1.00 C ATOM 575 ND1 HIS A 38 -10.537 -6.531 -0.012 1.00 1.00 N ATOM 576 CD2 HIS A 38 -10.265 -6.951 2.132 1.00 1.00 C ATOM 577 CE1 HIS A 38 -9.558 -7.442 0.143 1.00 1.00 C ATOM 578 NE2 HIS A 38 -9.352 -7.733 1.431 1.00 1.00 N ATOM 0 H HIS A 38 -13.313 -5.921 -0.480 1.00 1.00 H new ATOM 0 HA HIS A 38 -13.298 -6.840 2.270 1.00 1.00 H new ATOM 0 HB2 HIS A 38 -12.181 -4.533 0.609 1.00 1.00 H new ATOM 0 HB3 HIS A 38 -11.903 -4.592 2.338 1.00 1.00 H new ATOM 0 HD2 HIS A 38 -10.375 -6.936 3.206 1.00 1.00 H new ATOM 0 HE1 HIS A 38 -9.006 -7.884 -0.674 1.00 1.00 H new ATOM 0 HE2 HIS A 38 -8.672 -8.388 1.817 1.00 1.00 H new ATOM 586 N ILE A 39 -15.202 -4.310 1.556 1.00 1.00 N ATOM 587 CA ILE A 39 -16.253 -3.425 2.128 1.00 1.00 C ATOM 588 C ILE A 39 -17.579 -4.185 2.190 1.00 1.00 C ATOM 589 O ILE A 39 -18.247 -4.216 3.204 1.00 1.00 O ATOM 590 CB ILE A 39 -16.350 -2.254 1.149 1.00 1.00 C ATOM 591 CG1 ILE A 39 -15.398 -1.141 1.589 1.00 1.00 C ATOM 592 CG2 ILE A 39 -17.783 -1.721 1.124 1.00 1.00 C ATOM 593 CD1 ILE A 39 -14.143 -1.173 0.716 1.00 1.00 C ATOM 0 H ILE A 39 -15.113 -4.271 0.541 1.00 1.00 H new ATOM 0 HA ILE A 39 -16.023 -3.090 3.139 1.00 1.00 H new ATOM 0 HB ILE A 39 -16.075 -2.594 0.151 1.00 1.00 H new ATOM 0 HG12 ILE A 39 -15.889 -0.172 1.504 1.00 1.00 H new ATOM 0 HG13 ILE A 39 -15.129 -1.271 2.637 1.00 1.00 H new ATOM 0 HG21 ILE A 39 -17.849 -0.887 0.426 1.00 1.00 H new ATOM 0 HG22 ILE A 39 -18.461 -2.514 0.807 1.00 1.00 H new ATOM 0 HG23 ILE A 39 -18.063 -1.382 2.121 1.00 1.00 H new ATOM 0 HD11 ILE A 39 -13.463 -0.380 1.028 1.00 1.00 H new ATOM 0 HD12 ILE A 39 -13.649 -2.139 0.824 1.00 1.00 H new ATOM 0 HD13 ILE A 39 -14.421 -1.023 -0.327 1.00 1.00 H new ATOM 605 N LEU A 40 -17.955 -4.808 1.106 1.00 1.00 N ATOM 606 CA LEU A 40 -19.228 -5.582 1.088 1.00 1.00 C ATOM 607 C LEU A 40 -18.961 -7.034 1.495 1.00 1.00 C ATOM 608 O LEU A 40 -19.604 -7.572 2.374 1.00 1.00 O ATOM 609 CB LEU A 40 -19.715 -5.512 -0.361 1.00 1.00 C ATOM 610 CG LEU A 40 -20.832 -4.476 -0.474 1.00 1.00 C ATOM 611 CD1 LEU A 40 -22.189 -5.171 -0.344 1.00 1.00 C ATOM 612 CD2 LEU A 40 -20.682 -3.441 0.643 1.00 1.00 C ATOM 0 H LEU A 40 -17.433 -4.814 0.230 1.00 1.00 H new ATOM 0 HA LEU A 40 -19.967 -5.184 1.784 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -18.889 -5.245 -1.021 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -20.077 -6.489 -0.682 1.00 1.00 H new ATOM 0 HG LEU A 40 -20.769 -3.979 -1.442 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -22.986 -4.432 -0.425 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -22.297 -5.909 -1.139 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -22.252 -5.668 0.624 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -21.479 -2.701 0.563 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -20.745 -3.939 1.611 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -19.716 -2.945 0.552 1.00 1.00 H new ATOM 624 N LYS A 41 -18.004 -7.666 0.871 1.00 1.00 N ATOM 625 CA LYS A 41 -17.685 -9.078 1.229 1.00 1.00 C ATOM 626 C LYS A 41 -17.124 -9.135 2.649 1.00 1.00 C ATOM 627 O LYS A 41 -17.208 -10.141 3.324 1.00 1.00 O ATOM 628 CB LYS A 41 -16.630 -9.517 0.212 1.00 1.00 C ATOM 629 CG LYS A 41 -15.918 -10.771 0.724 1.00 1.00 C ATOM 630 CD LYS A 41 -16.131 -11.917 -0.267 1.00 1.00 C ATOM 631 CE LYS A 41 -14.806 -12.246 -0.959 1.00 1.00 C ATOM 632 NZ LYS A 41 -14.241 -13.385 -0.184 1.00 1.00 N ATOM 0 H LYS A 41 -17.430 -7.266 0.129 1.00 1.00 H new ATOM 0 HA LYS A 41 -18.562 -9.725 1.204 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -17.100 -9.720 -0.750 1.00 1.00 H new ATOM 0 HB3 LYS A 41 -15.908 -8.716 0.052 1.00 1.00 H new ATOM 0 HG2 LYS A 41 -14.853 -10.574 0.845 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -16.305 -11.047 1.705 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -16.510 -12.796 0.254 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -16.881 -11.637 -1.007 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -14.962 -12.518 -2.003 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -14.132 -11.389 -0.950 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -13.330 -13.669 -0.598 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -14.097 -13.095 0.804 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -14.901 -14.188 -0.216 1.00 1.00 H new ATOM 645 N ALA A 42 -16.557 -8.054 3.107 1.00 1.00 N ATOM 646 CA ALA A 42 -15.994 -8.031 4.486 1.00 1.00 C ATOM 647 C ALA A 42 -17.130 -8.142 5.506 1.00 1.00 C ATOM 648 O ALA A 42 -16.935 -8.573 6.625 1.00 1.00 O ATOM 649 CB ALA A 42 -15.289 -6.681 4.608 1.00 1.00 C ATOM 0 H ALA A 42 -16.459 -7.183 2.585 1.00 1.00 H new ATOM 0 HA ALA A 42 -15.309 -8.858 4.673 1.00 1.00 H new ATOM 0 HB1 ALA A 42 -14.847 -6.589 5.600 1.00 1.00 H new ATOM 0 HB2 ALA A 42 -14.505 -6.611 3.854 1.00 1.00 H new ATOM 0 HB3 ALA A 42 -16.011 -5.879 4.457 1.00 1.00 H new ATOM 655 N ALA A 43 -18.316 -7.752 5.125 1.00 1.00 N ATOM 656 CA ALA A 43 -19.466 -7.829 6.070 1.00 1.00 C ATOM 657 C ALA A 43 -20.596 -8.670 5.470 1.00 1.00 C ATOM 658 O ALA A 43 -21.702 -8.688 5.974 1.00 1.00 O ATOM 659 CB ALA A 43 -19.920 -6.382 6.259 1.00 1.00 C ATOM 0 H ALA A 43 -18.538 -7.383 4.200 1.00 1.00 H new ATOM 0 HA ALA A 43 -19.190 -8.299 7.014 1.00 1.00 H new ATOM 0 HB1 ALA A 43 -20.767 -6.353 6.944 1.00 1.00 H new ATOM 0 HB2 ALA A 43 -19.100 -5.794 6.671 1.00 1.00 H new ATOM 0 HB3 ALA A 43 -20.217 -5.965 5.297 1.00 1.00 H new ATOM 665 N ASN A 44 -20.334 -9.368 4.397 1.00 1.00 N ATOM 666 CA ASN A 44 -21.406 -10.201 3.777 1.00 1.00 C ATOM 667 C ASN A 44 -20.797 -11.393 3.034 1.00 1.00 C ATOM 668 O ASN A 44 -21.432 -12.002 2.195 1.00 1.00 O ATOM 669 CB ASN A 44 -22.117 -9.267 2.798 1.00 1.00 C ATOM 670 CG ASN A 44 -21.409 -7.911 2.781 1.00 1.00 C ATOM 671 OD1 ASN A 44 -20.871 -7.480 3.781 1.00 1.00 O ATOM 672 ND2 ASN A 44 -21.385 -7.215 1.676 1.00 1.00 N ATOM 0 H ASN A 44 -19.430 -9.398 3.925 1.00 1.00 H new ATOM 0 HA ASN A 44 -22.088 -10.610 4.522 1.00 1.00 H new ATOM 0 HB2 ASN A 44 -22.117 -9.702 1.799 1.00 1.00 H new ATOM 0 HB3 ASN A 44 -23.159 -9.141 3.091 1.00 1.00 H new ATOM 0 HD21 ASN A 44 -20.915 -6.310 1.653 1.00 1.00 H new ATOM 0 HD22 ASN A 44 -21.837 -7.576 0.836 1.00 1.00 H new ATOM 679 N PHE A 45 -19.572 -11.733 3.330 1.00 1.00 N ATOM 680 CA PHE A 45 -18.934 -12.887 2.632 1.00 1.00 C ATOM 681 C PHE A 45 -19.382 -12.925 1.169 1.00 1.00 C ATOM 682 O PHE A 45 -20.403 -12.373 0.810 1.00 1.00 O ATOM 683 CB PHE A 45 -19.430 -14.125 3.379 1.00 1.00 C ATOM 684 CG PHE A 45 -18.958 -14.069 4.813 1.00 1.00 C ATOM 685 CD1 PHE A 45 -19.262 -12.957 5.607 1.00 1.00 C ATOM 686 CD2 PHE A 45 -18.218 -15.129 5.348 1.00 1.00 C ATOM 687 CE1 PHE A 45 -18.825 -12.904 6.936 1.00 1.00 C ATOM 688 CE2 PHE A 45 -17.780 -15.077 6.678 1.00 1.00 C ATOM 689 CZ PHE A 45 -18.084 -13.965 7.471 1.00 1.00 C ATOM 0 H PHE A 45 -18.987 -11.264 4.022 1.00 1.00 H new ATOM 0 HA PHE A 45 -17.846 -12.823 2.631 1.00 1.00 H new ATOM 0 HB2 PHE A 45 -20.518 -14.172 3.345 1.00 1.00 H new ATOM 0 HB3 PHE A 45 -19.056 -15.028 2.897 1.00 1.00 H new ATOM 0 HD1 PHE A 45 -19.834 -12.139 5.194 1.00 1.00 H new ATOM 0 HD2 PHE A 45 -17.984 -15.987 4.736 1.00 1.00 H new ATOM 0 HE1 PHE A 45 -19.059 -12.046 7.548 1.00 1.00 H new ATOM 0 HE2 PHE A 45 -17.208 -15.895 7.091 1.00 1.00 H new ATOM 0 HZ PHE A 45 -17.747 -13.925 8.496 1.00 1.00 H new ATOM 699 N ALA A 46 -18.626 -13.565 0.320 1.00 1.00 N ATOM 700 CA ALA A 46 -19.014 -13.627 -1.118 1.00 1.00 C ATOM 701 C ALA A 46 -19.964 -14.800 -1.368 1.00 1.00 C ATOM 702 O ALA A 46 -19.549 -15.911 -1.633 1.00 1.00 O ATOM 703 CB ALA A 46 -17.703 -13.823 -1.879 1.00 1.00 C ATOM 0 H ALA A 46 -17.759 -14.046 0.558 1.00 1.00 H new ATOM 0 HA ALA A 46 -19.538 -12.727 -1.438 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -17.908 -13.878 -2.948 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -17.038 -12.983 -1.680 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -17.228 -14.748 -1.552 1.00 1.00 H new ATOM 709 N LYS A 47 -21.237 -14.546 -1.297 1.00 1.00 N ATOM 710 CA LYS A 47 -22.243 -15.616 -1.538 1.00 1.00 C ATOM 711 C LYS A 47 -23.380 -15.038 -2.377 1.00 1.00 C ATOM 712 O LYS A 47 -23.262 -13.957 -2.920 1.00 1.00 O ATOM 713 CB LYS A 47 -22.744 -16.020 -0.149 1.00 1.00 C ATOM 714 CG LYS A 47 -22.697 -17.543 -0.013 1.00 1.00 C ATOM 715 CD LYS A 47 -21.782 -17.925 1.151 1.00 1.00 C ATOM 716 CE LYS A 47 -20.566 -18.686 0.618 1.00 1.00 C ATOM 717 NZ LYS A 47 -20.585 -19.990 1.336 1.00 1.00 N ATOM 0 H LYS A 47 -21.630 -13.630 -1.079 1.00 1.00 H new ATOM 0 HA LYS A 47 -21.835 -16.474 -2.073 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -22.127 -15.556 0.621 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -23.763 -15.662 0.000 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -23.700 -17.934 0.156 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -22.332 -17.990 -0.938 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -21.459 -17.030 1.682 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -22.325 -18.542 1.867 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -20.631 -18.828 -0.461 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -19.642 -18.141 0.813 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -19.780 -20.570 1.024 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -20.515 -19.823 2.360 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -21.473 -20.489 1.126 1.00 1.00 H new ATOM 730 N ALA A 48 -24.484 -15.721 -2.486 1.00 1.00 N ATOM 731 CA ALA A 48 -25.596 -15.156 -3.294 1.00 1.00 C ATOM 732 C ALA A 48 -25.857 -13.733 -2.810 1.00 1.00 C ATOM 733 O ALA A 48 -26.306 -12.880 -3.551 1.00 1.00 O ATOM 734 CB ALA A 48 -26.799 -16.057 -3.016 1.00 1.00 C ATOM 0 H ALA A 48 -24.662 -16.630 -2.059 1.00 1.00 H new ATOM 0 HA ALA A 48 -25.381 -15.118 -4.362 1.00 1.00 H new ATOM 0 HB1 ALA A 48 -27.660 -15.699 -3.581 1.00 1.00 H new ATOM 0 HB2 ALA A 48 -26.566 -17.078 -3.318 1.00 1.00 H new ATOM 0 HB3 ALA A 48 -27.030 -16.037 -1.951 1.00 1.00 H new ATOM 740 N LYS A 49 -25.539 -13.468 -1.574 1.00 1.00 N ATOM 741 CA LYS A 49 -25.722 -12.095 -1.036 1.00 1.00 C ATOM 742 C LYS A 49 -24.726 -11.153 -1.719 1.00 1.00 C ATOM 743 O LYS A 49 -25.090 -10.116 -2.237 1.00 1.00 O ATOM 744 CB LYS A 49 -25.420 -12.207 0.458 1.00 1.00 C ATOM 745 CG LYS A 49 -26.703 -11.974 1.258 1.00 1.00 C ATOM 746 CD LYS A 49 -27.249 -10.578 0.952 1.00 1.00 C ATOM 747 CE LYS A 49 -28.642 -10.428 1.566 1.00 1.00 C ATOM 748 NZ LYS A 49 -29.232 -11.794 1.517 1.00 1.00 N ATOM 0 H LYS A 49 -25.159 -14.146 -0.913 1.00 1.00 H new ATOM 0 HA LYS A 49 -26.723 -11.701 -1.211 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -25.012 -13.192 0.684 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -24.664 -11.476 0.743 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -27.445 -12.730 1.003 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -26.502 -12.072 2.325 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -26.579 -9.818 1.354 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -27.297 -10.423 -0.126 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -28.585 -10.059 2.590 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -29.247 -9.716 1.004 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -30.252 -11.739 1.711 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -29.081 -12.204 0.573 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -28.776 -12.395 2.232 1.00 1.00 H new ATOM 761 N ARG A 50 -23.465 -11.514 -1.728 1.00 1.00 N ATOM 762 CA ARG A 50 -22.447 -10.643 -2.376 1.00 1.00 C ATOM 763 C ARG A 50 -22.770 -10.478 -3.860 1.00 1.00 C ATOM 764 O ARG A 50 -22.417 -9.491 -4.475 1.00 1.00 O ATOM 765 CB ARG A 50 -21.121 -11.381 -2.193 1.00 1.00 C ATOM 766 CG ARG A 50 -20.179 -10.537 -1.332 1.00 1.00 C ATOM 767 CD ARG A 50 -20.788 -10.352 0.060 1.00 1.00 C ATOM 768 NE ARG A 50 -21.531 -9.064 -0.015 1.00 1.00 N ATOM 769 CZ ARG A 50 -22.802 -9.026 0.280 1.00 1.00 C ATOM 770 NH1 ARG A 50 -23.421 -10.117 0.644 1.00 1.00 N ATOM 771 NH2 ARG A 50 -23.454 -7.898 0.214 1.00 1.00 N ATOM 0 H ARG A 50 -23.102 -12.373 -1.314 1.00 1.00 H new ATOM 0 HA ARG A 50 -22.418 -9.643 -1.943 1.00 1.00 H new ATOM 0 HB2 ARG A 50 -21.294 -12.348 -1.721 1.00 1.00 H new ATOM 0 HB3 ARG A 50 -20.665 -11.577 -3.164 1.00 1.00 H new ATOM 0 HG2 ARG A 50 -19.207 -11.024 -1.254 1.00 1.00 H new ATOM 0 HG3 ARG A 50 -20.013 -9.567 -1.800 1.00 1.00 H new ATOM 0 HD2 ARG A 50 -21.453 -11.178 0.313 1.00 1.00 H new ATOM 0 HD3 ARG A 50 -20.015 -10.318 0.828 1.00 1.00 H new ATOM 0 HE ARG A 50 -21.047 -8.212 -0.297 1.00 1.00 H new ATOM 0 HH11 ARG A 50 -22.911 -10.999 0.698 1.00 1.00 H new ATOM 0 HH12 ARG A 50 -24.414 -10.087 0.875 1.00 1.00 H new ATOM 0 HH21 ARG A 50 -22.971 -7.045 -0.068 1.00 1.00 H new ATOM 0 HH22 ARG A 50 -24.447 -7.869 0.445 1.00 1.00 H new ATOM 784 N THR A 51 -23.452 -11.430 -4.440 1.00 1.00 N ATOM 785 CA THR A 51 -23.806 -11.311 -5.881 1.00 1.00 C ATOM 786 C THR A 51 -24.813 -10.178 -6.066 1.00 1.00 C ATOM 787 O THR A 51 -24.764 -9.439 -7.028 1.00 1.00 O ATOM 788 CB THR A 51 -24.431 -12.657 -6.252 1.00 1.00 C ATOM 789 OG1 THR A 51 -23.481 -13.440 -6.960 1.00 1.00 O ATOM 790 CG2 THR A 51 -25.661 -12.425 -7.131 1.00 1.00 C ATOM 0 H THR A 51 -23.777 -12.280 -3.979 1.00 1.00 H new ATOM 0 HA THR A 51 -22.944 -11.085 -6.509 1.00 1.00 H new ATOM 0 HB THR A 51 -24.730 -13.182 -5.344 1.00 1.00 H new ATOM 0 HG1 THR A 51 -23.880 -14.303 -7.197 1.00 1.00 H new ATOM 0 HG21 THR A 51 -26.106 -13.384 -7.395 1.00 1.00 H new ATOM 0 HG22 THR A 51 -26.390 -11.825 -6.586 1.00 1.00 H new ATOM 0 HG23 THR A 51 -25.365 -11.900 -8.039 1.00 1.00 H new ATOM 798 N ARG A 52 -25.716 -10.025 -5.137 1.00 1.00 N ATOM 799 CA ARG A 52 -26.716 -8.926 -5.248 1.00 1.00 C ATOM 800 C ARG A 52 -26.155 -7.668 -4.583 1.00 1.00 C ATOM 801 O ARG A 52 -25.884 -6.677 -5.230 1.00 1.00 O ATOM 802 CB ARG A 52 -27.950 -9.430 -4.499 1.00 1.00 C ATOM 803 CG ARG A 52 -29.126 -9.544 -5.470 1.00 1.00 C ATOM 804 CD ARG A 52 -28.599 -9.819 -6.880 1.00 1.00 C ATOM 805 NE ARG A 52 -29.587 -10.756 -7.484 1.00 1.00 N ATOM 806 CZ ARG A 52 -30.394 -10.338 -8.421 1.00 1.00 C ATOM 807 NH1 ARG A 52 -30.334 -9.101 -8.830 1.00 1.00 N ATOM 808 NH2 ARG A 52 -31.261 -11.159 -8.949 1.00 1.00 N ATOM 0 H ARG A 52 -25.805 -10.612 -4.308 1.00 1.00 H new ATOM 0 HA ARG A 52 -26.955 -8.673 -6.281 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -27.743 -10.400 -4.047 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -28.200 -8.747 -3.687 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -29.793 -10.347 -5.157 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -29.709 -8.623 -5.461 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -28.522 -8.899 -7.459 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -27.603 -10.261 -6.850 1.00 1.00 H new ATOM 0 HE ARG A 52 -29.633 -11.724 -7.166 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -29.656 -8.460 -8.418 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -30.965 -8.775 -9.562 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -31.308 -12.126 -8.629 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -31.892 -10.833 -9.681 1.00 1.00 H new ATOM 821 N ILE A 53 -25.976 -7.708 -3.292 1.00 1.00 N ATOM 822 CA ILE A 53 -25.427 -6.521 -2.581 1.00 1.00 C ATOM 823 C ILE A 53 -24.216 -5.975 -3.343 1.00 1.00 C ATOM 824 O ILE A 53 -24.143 -4.801 -3.651 1.00 1.00 O ATOM 825 CB ILE A 53 -25.009 -7.038 -1.204 1.00 1.00 C ATOM 826 CG1 ILE A 53 -25.971 -8.143 -0.763 1.00 1.00 C ATOM 827 CG2 ILE A 53 -25.052 -5.893 -0.192 1.00 1.00 C ATOM 828 CD1 ILE A 53 -27.404 -7.608 -0.773 1.00 1.00 C ATOM 0 H ILE A 53 -26.186 -8.511 -2.699 1.00 1.00 H new ATOM 0 HA ILE A 53 -26.151 -5.710 -2.503 1.00 1.00 H new ATOM 0 HB ILE A 53 -23.996 -7.436 -1.258 1.00 1.00 H new ATOM 0 HG12 ILE A 53 -25.887 -9.000 -1.431 1.00 1.00 H new ATOM 0 HG13 ILE A 53 -25.709 -8.491 0.236 1.00 1.00 H new ATOM 0 HG21 ILE A 53 -24.754 -6.263 0.789 1.00 1.00 H new ATOM 0 HG22 ILE A 53 -24.368 -5.104 -0.506 1.00 1.00 H new ATOM 0 HG23 ILE A 53 -26.065 -5.494 -0.137 1.00 1.00 H new ATOM 0 HD11 ILE A 53 -28.089 -8.396 -0.459 1.00 1.00 H new ATOM 0 HD12 ILE A 53 -27.482 -6.764 -0.087 1.00 1.00 H new ATOM 0 HD13 ILE A 53 -27.664 -7.282 -1.780 1.00 1.00 H new ATOM 840 N LEU A 54 -23.271 -6.817 -3.665 1.00 1.00 N ATOM 841 CA LEU A 54 -22.080 -6.341 -4.424 1.00 1.00 C ATOM 842 C LEU A 54 -22.503 -5.931 -5.838 1.00 1.00 C ATOM 843 O LEU A 54 -22.300 -4.811 -6.262 1.00 1.00 O ATOM 844 CB LEU A 54 -21.131 -7.539 -4.472 1.00 1.00 C ATOM 845 CG LEU A 54 -19.716 -7.085 -4.112 1.00 1.00 C ATOM 846 CD1 LEU A 54 -19.117 -8.044 -3.083 1.00 1.00 C ATOM 847 CD2 LEU A 54 -18.847 -7.082 -5.373 1.00 1.00 C ATOM 0 H LEU A 54 -23.272 -7.811 -3.436 1.00 1.00 H new ATOM 0 HA LEU A 54 -21.608 -5.474 -3.962 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -21.465 -8.309 -3.776 1.00 1.00 H new ATOM 0 HB3 LEU A 54 -21.139 -7.983 -5.467 1.00 1.00 H new ATOM 0 HG LEU A 54 -19.753 -6.080 -3.692 1.00 1.00 H new ATOM 0 HD11 LEU A 54 -18.108 -7.719 -2.827 1.00 1.00 H new ATOM 0 HD12 LEU A 54 -19.736 -8.048 -2.186 1.00 1.00 H new ATOM 0 HD13 LEU A 54 -19.079 -9.050 -3.502 1.00 1.00 H new ATOM 0 HD21 LEU A 54 -17.838 -6.759 -5.119 1.00 1.00 H new ATOM 0 HD22 LEU A 54 -18.811 -8.087 -5.792 1.00 1.00 H new ATOM 0 HD23 LEU A 54 -19.273 -6.398 -6.107 1.00 1.00 H new ATOM 859 N GLU A 55 -23.091 -6.841 -6.565 1.00 1.00 N ATOM 860 CA GLU A 55 -23.533 -6.521 -7.951 1.00 1.00 C ATOM 861 C GLU A 55 -24.406 -5.265 -7.944 1.00 1.00 C ATOM 862 O GLU A 55 -24.181 -4.339 -8.695 1.00 1.00 O ATOM 863 CB GLU A 55 -24.343 -7.733 -8.403 1.00 1.00 C ATOM 864 CG GLU A 55 -24.338 -7.809 -9.931 1.00 1.00 C ATOM 865 CD GLU A 55 -25.163 -9.016 -10.384 1.00 1.00 C ATOM 866 OE1 GLU A 55 -25.237 -9.974 -9.633 1.00 1.00 O ATOM 867 OE2 GLU A 55 -25.705 -8.961 -11.476 1.00 1.00 O ATOM 0 H GLU A 55 -23.285 -7.794 -6.258 1.00 1.00 H new ATOM 0 HA GLU A 55 -22.693 -6.325 -8.618 1.00 1.00 H new ATOM 0 HB2 GLU A 55 -23.919 -8.645 -7.982 1.00 1.00 H new ATOM 0 HB3 GLU A 55 -25.366 -7.657 -8.035 1.00 1.00 H new ATOM 0 HG2 GLU A 55 -24.752 -6.893 -10.353 1.00 1.00 H new ATOM 0 HG3 GLU A 55 -23.315 -7.895 -10.298 1.00 1.00 H new ATOM 874 N LYS A 56 -25.393 -5.218 -7.093 1.00 1.00 N ATOM 875 CA LYS A 56 -26.267 -4.013 -7.037 1.00 1.00 C ATOM 876 C LYS A 56 -25.511 -2.860 -6.378 1.00 1.00 C ATOM 877 O LYS A 56 -25.637 -1.716 -6.767 1.00 1.00 O ATOM 878 CB LYS A 56 -27.468 -4.428 -6.186 1.00 1.00 C ATOM 879 CG LYS A 56 -27.259 -3.959 -4.745 1.00 1.00 C ATOM 880 CD LYS A 56 -28.336 -4.572 -3.846 1.00 1.00 C ATOM 881 CE LYS A 56 -29.712 -4.361 -4.483 1.00 1.00 C ATOM 882 NZ LYS A 56 -30.076 -5.686 -5.058 1.00 1.00 N ATOM 0 H LYS A 56 -25.632 -5.960 -6.435 1.00 1.00 H new ATOM 0 HA LYS A 56 -26.575 -3.674 -8.026 1.00 1.00 H new ATOM 0 HB2 LYS A 56 -28.382 -3.994 -6.592 1.00 1.00 H new ATOM 0 HB3 LYS A 56 -27.590 -5.511 -6.213 1.00 1.00 H new ATOM 0 HG2 LYS A 56 -26.269 -4.252 -4.396 1.00 1.00 H new ATOM 0 HG3 LYS A 56 -27.305 -2.871 -4.695 1.00 1.00 H new ATOM 0 HD2 LYS A 56 -28.147 -5.636 -3.707 1.00 1.00 H new ATOM 0 HD3 LYS A 56 -28.306 -4.112 -2.858 1.00 1.00 H new ATOM 0 HE2 LYS A 56 -30.444 -4.037 -3.743 1.00 1.00 H new ATOM 0 HE3 LYS A 56 -29.676 -3.592 -5.255 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 -30.425 -5.559 -6.029 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 -29.238 -6.302 -5.069 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 -30.820 -6.124 -4.478 1.00 1.00 H new ATOM 895 N GLU A 57 -24.713 -3.156 -5.389 1.00 1.00 N ATOM 896 CA GLU A 57 -23.937 -2.080 -4.712 1.00 1.00 C ATOM 897 C GLU A 57 -22.797 -1.619 -5.623 1.00 1.00 C ATOM 898 O GLU A 57 -22.640 -0.445 -5.894 1.00 1.00 O ATOM 899 CB GLU A 57 -23.384 -2.727 -3.442 1.00 1.00 C ATOM 900 CG GLU A 57 -24.543 -3.141 -2.533 1.00 1.00 C ATOM 901 CD GLU A 57 -25.273 -1.892 -2.035 1.00 1.00 C ATOM 902 OE1 GLU A 57 -26.032 -1.326 -2.806 1.00 1.00 O ATOM 903 OE2 GLU A 57 -25.062 -1.522 -0.893 1.00 1.00 O ATOM 0 H GLU A 57 -24.565 -4.096 -5.021 1.00 1.00 H new ATOM 0 HA GLU A 57 -24.545 -1.204 -4.485 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -22.780 -3.597 -3.698 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -22.730 -2.028 -2.920 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -25.233 -3.786 -3.077 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -24.168 -3.717 -1.687 1.00 1.00 H new ATOM 910 N VAL A 58 -22.002 -2.537 -6.100 1.00 1.00 N ATOM 911 CA VAL A 58 -20.874 -2.155 -6.997 1.00 1.00 C ATOM 912 C VAL A 58 -21.376 -1.973 -8.432 1.00 1.00 C ATOM 913 O VAL A 58 -21.082 -0.989 -9.082 1.00 1.00 O ATOM 914 CB VAL A 58 -19.891 -3.322 -6.915 1.00 1.00 C ATOM 915 CG1 VAL A 58 -19.977 -4.153 -8.197 1.00 1.00 C ATOM 916 CG2 VAL A 58 -18.469 -2.779 -6.755 1.00 1.00 C ATOM 0 H VAL A 58 -22.084 -3.535 -5.908 1.00 1.00 H new ATOM 0 HA VAL A 58 -20.413 -1.213 -6.702 1.00 1.00 H new ATOM 0 HB VAL A 58 -20.141 -3.948 -6.059 1.00 1.00 H new ATOM 0 HG11 VAL A 58 -19.276 -4.986 -8.139 1.00 1.00 H new ATOM 0 HG12 VAL A 58 -20.990 -4.539 -8.313 1.00 1.00 H new ATOM 0 HG13 VAL A 58 -19.727 -3.527 -9.054 1.00 1.00 H new ATOM 0 HG21 VAL A 58 -17.767 -3.610 -6.696 1.00 1.00 H new ATOM 0 HG22 VAL A 58 -18.220 -2.153 -7.612 1.00 1.00 H new ATOM 0 HG23 VAL A 58 -18.406 -2.186 -5.842 1.00 1.00 H new ATOM 926 N LEU A 59 -22.129 -2.915 -8.937 1.00 1.00 N ATOM 927 CA LEU A 59 -22.641 -2.780 -10.332 1.00 1.00 C ATOM 928 C LEU A 59 -23.099 -1.342 -10.574 1.00 1.00 C ATOM 929 O LEU A 59 -22.772 -0.736 -11.575 1.00 1.00 O ATOM 930 CB LEU A 59 -23.825 -3.741 -10.429 1.00 1.00 C ATOM 931 CG LEU A 59 -24.308 -3.798 -11.878 1.00 1.00 C ATOM 932 CD1 LEU A 59 -25.246 -2.620 -12.148 1.00 1.00 C ATOM 933 CD2 LEU A 59 -23.104 -3.716 -12.818 1.00 1.00 C ATOM 0 H LEU A 59 -22.410 -3.765 -8.448 1.00 1.00 H new ATOM 0 HA LEU A 59 -21.878 -3.011 -11.076 1.00 1.00 H new ATOM 0 HB2 LEU A 59 -23.531 -4.735 -10.092 1.00 1.00 H new ATOM 0 HB3 LEU A 59 -24.633 -3.409 -9.777 1.00 1.00 H new ATOM 0 HG LEU A 59 -24.840 -4.734 -12.049 1.00 1.00 H new ATOM 0 HD11 LEU A 59 -25.591 -2.659 -13.181 1.00 1.00 H new ATOM 0 HD12 LEU A 59 -26.103 -2.676 -11.477 1.00 1.00 H new ATOM 0 HD13 LEU A 59 -24.713 -1.684 -11.979 1.00 1.00 H new ATOM 0 HD21 LEU A 59 -23.446 -3.757 -13.852 1.00 1.00 H new ATOM 0 HD22 LEU A 59 -22.573 -2.779 -12.648 1.00 1.00 H new ATOM 0 HD23 LEU A 59 -22.434 -4.554 -12.625 1.00 1.00 H new ATOM 945 N LYS A 60 -23.840 -0.787 -9.656 1.00 1.00 N ATOM 946 CA LYS A 60 -24.302 0.619 -9.826 1.00 1.00 C ATOM 947 C LYS A 60 -23.112 1.560 -9.644 1.00 1.00 C ATOM 948 O LYS A 60 -23.186 2.742 -9.915 1.00 1.00 O ATOM 949 CB LYS A 60 -25.338 0.838 -8.724 1.00 1.00 C ATOM 950 CG LYS A 60 -25.051 2.160 -8.008 1.00 1.00 C ATOM 951 CD LYS A 60 -26.187 3.147 -8.282 1.00 1.00 C ATOM 952 CE LYS A 60 -27.191 3.105 -7.127 1.00 1.00 C ATOM 953 NZ LYS A 60 -28.196 4.155 -7.454 1.00 1.00 N ATOM 0 H LYS A 60 -24.145 -1.245 -8.797 1.00 1.00 H new ATOM 0 HA LYS A 60 -24.727 0.810 -10.812 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -26.341 0.854 -9.151 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -25.308 0.013 -8.012 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -24.953 1.991 -6.936 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -24.104 2.575 -8.353 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -25.788 4.155 -8.394 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -26.684 2.895 -9.219 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -27.658 2.123 -7.045 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -26.704 3.307 -6.173 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -28.919 4.188 -6.707 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -27.724 5.079 -7.519 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -28.648 3.932 -8.364 1.00 1.00 H new ATOM 966 N GLU A 61 -22.010 1.028 -9.191 1.00 1.00 N ATOM 967 CA GLU A 61 -20.795 1.868 -8.991 1.00 1.00 C ATOM 968 C GLU A 61 -19.717 1.474 -10.004 1.00 1.00 C ATOM 969 O GLU A 61 -20.012 1.032 -11.097 1.00 1.00 O ATOM 970 CB GLU A 61 -20.333 1.564 -7.565 1.00 1.00 C ATOM 971 CG GLU A 61 -21.480 1.831 -6.589 1.00 1.00 C ATOM 972 CD GLU A 61 -20.940 1.852 -5.158 1.00 1.00 C ATOM 973 OE1 GLU A 61 -20.020 2.611 -4.904 1.00 1.00 O ATOM 974 OE2 GLU A 61 -21.455 1.107 -4.340 1.00 1.00 O ATOM 0 H GLU A 61 -21.898 0.043 -8.950 1.00 1.00 H new ATOM 0 HA GLU A 61 -20.994 2.930 -9.133 1.00 1.00 H new ATOM 0 HB2 GLU A 61 -20.011 0.525 -7.489 1.00 1.00 H new ATOM 0 HB3 GLU A 61 -19.473 2.183 -7.310 1.00 1.00 H new ATOM 0 HG2 GLU A 61 -21.956 2.783 -6.823 1.00 1.00 H new ATOM 0 HG3 GLU A 61 -22.244 1.060 -6.689 1.00 1.00 H new ATOM 981 N THR A 62 -18.471 1.632 -9.653 1.00 1.00 N ATOM 982 CA THR A 62 -17.378 1.268 -10.601 1.00 1.00 C ATOM 983 C THR A 62 -16.758 -0.077 -10.211 1.00 1.00 C ATOM 984 O THR A 62 -15.555 -0.206 -10.093 1.00 1.00 O ATOM 985 CB THR A 62 -16.349 2.391 -10.465 1.00 1.00 C ATOM 986 OG1 THR A 62 -15.059 1.828 -10.271 1.00 1.00 O ATOM 987 CG2 THR A 62 -16.709 3.273 -9.268 1.00 1.00 C ATOM 0 H THR A 62 -18.161 1.997 -8.752 1.00 1.00 H new ATOM 0 HA THR A 62 -17.739 1.163 -11.624 1.00 1.00 H new ATOM 0 HB THR A 62 -16.349 2.996 -11.372 1.00 1.00 H new ATOM 0 HG1 THR A 62 -14.384 2.538 -10.300 1.00 1.00 H new ATOM 0 HG21 THR A 62 -15.975 4.073 -9.172 1.00 1.00 H new ATOM 0 HG22 THR A 62 -17.699 3.704 -9.419 1.00 1.00 H new ATOM 0 HG23 THR A 62 -16.710 2.671 -8.360 1.00 1.00 H new ATOM 995 N HIS A 63 -17.567 -1.082 -10.012 1.00 1.00 N ATOM 996 CA HIS A 63 -17.019 -2.417 -9.635 1.00 1.00 C ATOM 997 C HIS A 63 -16.150 -2.969 -10.769 1.00 1.00 C ATOM 998 O HIS A 63 -16.576 -3.052 -11.904 1.00 1.00 O ATOM 999 CB HIS A 63 -18.246 -3.304 -9.421 1.00 1.00 C ATOM 1000 CG HIS A 63 -17.982 -4.672 -9.985 1.00 1.00 C ATOM 1001 ND1 HIS A 63 -17.689 -4.874 -11.326 1.00 1.00 N ATOM 1002 CD2 HIS A 63 -17.960 -5.916 -9.406 1.00 1.00 C ATOM 1003 CE1 HIS A 63 -17.506 -6.195 -11.506 1.00 1.00 C ATOM 1004 NE2 HIS A 63 -17.659 -6.876 -10.368 1.00 1.00 N ATOM 0 H HIS A 63 -18.583 -1.037 -10.094 1.00 1.00 H new ATOM 0 HA HIS A 63 -16.391 -2.370 -8.745 1.00 1.00 H new ATOM 0 HB2 HIS A 63 -18.475 -3.376 -8.358 1.00 1.00 H new ATOM 0 HB3 HIS A 63 -19.116 -2.861 -9.905 1.00 1.00 H new ATOM 0 HD1 HIS A 63 -17.624 -4.153 -12.044 1.00 1.00 H new ATOM 0 HD2 HIS A 63 -18.148 -6.119 -8.362 1.00 1.00 H new ATOM 0 HE1 HIS A 63 -17.265 -6.649 -12.456 1.00 1.00 H new ATOM 1012 N GLU A 64 -14.935 -3.343 -10.474 1.00 1.00 N ATOM 1013 CA GLU A 64 -14.043 -3.883 -11.542 1.00 1.00 C ATOM 1014 C GLU A 64 -13.399 -5.196 -11.092 1.00 1.00 C ATOM 1015 O GLU A 64 -13.015 -5.352 -9.950 1.00 1.00 O ATOM 1016 CB GLU A 64 -12.973 -2.811 -11.743 1.00 1.00 C ATOM 1017 CG GLU A 64 -13.441 -1.811 -12.801 1.00 1.00 C ATOM 1018 CD GLU A 64 -12.654 -2.029 -14.094 1.00 1.00 C ATOM 1019 OE1 GLU A 64 -11.594 -2.627 -14.024 1.00 1.00 O ATOM 1020 OE2 GLU A 64 -13.125 -1.593 -15.131 1.00 1.00 O ATOM 0 H GLU A 64 -14.521 -3.299 -9.543 1.00 1.00 H new ATOM 0 HA GLU A 64 -14.590 -4.098 -12.460 1.00 1.00 H new ATOM 0 HB2 GLU A 64 -12.779 -2.296 -10.802 1.00 1.00 H new ATOM 0 HB3 GLU A 64 -12.036 -3.272 -12.054 1.00 1.00 H new ATOM 0 HG2 GLU A 64 -14.508 -1.935 -12.987 1.00 1.00 H new ATOM 0 HG3 GLU A 64 -13.296 -0.792 -12.442 1.00 1.00 H new ATOM 1027 N LYS A 65 -13.270 -6.138 -11.985 1.00 1.00 N ATOM 1028 CA LYS A 65 -12.641 -7.437 -11.615 1.00 1.00 C ATOM 1029 C LYS A 65 -11.151 -7.408 -11.965 1.00 1.00 C ATOM 1030 O LYS A 65 -10.778 -7.299 -13.117 1.00 1.00 O ATOM 1031 CB LYS A 65 -13.371 -8.486 -12.455 1.00 1.00 C ATOM 1032 CG LYS A 65 -14.689 -8.861 -11.775 1.00 1.00 C ATOM 1033 CD LYS A 65 -14.505 -8.830 -10.255 1.00 1.00 C ATOM 1034 CE LYS A 65 -15.362 -9.925 -9.616 1.00 1.00 C ATOM 1035 NZ LYS A 65 -14.488 -10.541 -8.579 1.00 1.00 N ATOM 0 H LYS A 65 -13.573 -6.064 -12.956 1.00 1.00 H new ATOM 0 HA LYS A 65 -12.718 -7.650 -10.549 1.00 1.00 H new ATOM 0 HB2 LYS A 65 -13.564 -8.096 -13.455 1.00 1.00 H new ATOM 0 HB3 LYS A 65 -12.746 -9.371 -12.573 1.00 1.00 H new ATOM 0 HG2 LYS A 65 -15.474 -8.166 -12.071 1.00 1.00 H new ATOM 0 HG3 LYS A 65 -15.006 -9.854 -12.094 1.00 1.00 H new ATOM 0 HD2 LYS A 65 -13.456 -8.980 -10.002 1.00 1.00 H new ATOM 0 HD3 LYS A 65 -14.791 -7.854 -9.863 1.00 1.00 H new ATOM 0 HE2 LYS A 65 -16.267 -9.510 -9.173 1.00 1.00 H new ATOM 0 HE3 LYS A 65 -15.677 -10.662 -10.355 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 -15.006 -11.302 -8.096 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 -13.637 -10.934 -9.030 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 -14.209 -9.818 -7.886 1.00 1.00 H new ATOM 1048 N VAL A 66 -10.297 -7.495 -10.984 1.00 1.00 N ATOM 1049 CA VAL A 66 -8.833 -7.462 -11.267 1.00 1.00 C ATOM 1050 C VAL A 66 -8.305 -8.877 -11.517 1.00 1.00 C ATOM 1051 O VAL A 66 -8.496 -9.773 -10.719 1.00 1.00 O ATOM 1052 CB VAL A 66 -8.203 -6.872 -10.006 1.00 1.00 C ATOM 1053 CG1 VAL A 66 -7.853 -8.001 -9.036 1.00 1.00 C ATOM 1054 CG2 VAL A 66 -6.930 -6.111 -10.382 1.00 1.00 C ATOM 0 H VAL A 66 -10.548 -7.587 -10.000 1.00 1.00 H new ATOM 0 HA VAL A 66 -8.599 -6.877 -12.156 1.00 1.00 H new ATOM 0 HB VAL A 66 -8.908 -6.190 -9.531 1.00 1.00 H new ATOM 0 HG11 VAL A 66 -7.403 -7.581 -8.136 1.00 1.00 H new ATOM 0 HG12 VAL A 66 -8.759 -8.545 -8.769 1.00 1.00 H new ATOM 0 HG13 VAL A 66 -7.147 -8.682 -9.510 1.00 1.00 H new ATOM 0 HG21 VAL A 66 -6.479 -5.689 -9.484 1.00 1.00 H new ATOM 0 HG22 VAL A 66 -6.225 -6.794 -10.856 1.00 1.00 H new ATOM 0 HG23 VAL A 66 -7.178 -5.307 -11.075 1.00 1.00 H new ATOM 1064 N GLN A 67 -7.638 -9.083 -12.620 1.00 1.00 N ATOM 1065 CA GLN A 67 -7.094 -10.437 -12.923 1.00 1.00 C ATOM 1066 C GLN A 67 -5.729 -10.316 -13.608 1.00 1.00 C ATOM 1067 O GLN A 67 -5.383 -9.281 -14.142 1.00 1.00 O ATOM 1068 CB GLN A 67 -8.114 -11.072 -13.869 1.00 1.00 C ATOM 1069 CG GLN A 67 -8.755 -9.984 -14.734 1.00 1.00 C ATOM 1070 CD GLN A 67 -10.268 -9.978 -14.510 1.00 1.00 C ATOM 1071 OE1 GLN A 67 -10.905 -11.012 -14.550 1.00 1.00 O ATOM 1072 NE2 GLN A 67 -10.875 -8.847 -14.274 1.00 1.00 N ATOM 0 H GLN A 67 -7.446 -8.371 -13.325 1.00 1.00 H new ATOM 0 HA GLN A 67 -6.947 -11.034 -12.023 1.00 1.00 H new ATOM 0 HB2 GLN A 67 -7.627 -11.814 -14.501 1.00 1.00 H new ATOM 0 HB3 GLN A 67 -8.880 -11.595 -13.297 1.00 1.00 H new ATOM 0 HG2 GLN A 67 -8.336 -9.010 -14.482 1.00 1.00 H new ATOM 0 HG3 GLN A 67 -8.533 -10.164 -15.786 1.00 1.00 H new ATOM 0 HE21 GLN A 67 -10.341 -7.979 -14.240 1.00 1.00 H new ATOM 0 HE22 GLN A 67 -11.884 -8.831 -14.123 1.00 1.00 H new ATOM 1081 N GLY A 68 -4.953 -11.365 -13.596 1.00 1.00 N ATOM 1082 CA GLY A 68 -3.613 -11.307 -14.247 1.00 1.00 C ATOM 1083 C GLY A 68 -2.552 -10.928 -13.213 1.00 1.00 C ATOM 1084 O GLY A 68 -1.373 -10.891 -13.505 1.00 1.00 O ATOM 0 H GLY A 68 -5.188 -12.259 -13.164 1.00 1.00 H new ATOM 0 HA2 GLY A 68 -3.372 -12.273 -14.692 1.00 1.00 H new ATOM 0 HA3 GLY A 68 -3.623 -10.577 -15.056 1.00 1.00 H new ATOM 1088 N GLY A 69 -2.958 -10.650 -12.004 1.00 1.00 N ATOM 1089 CA GLY A 69 -1.968 -10.278 -10.954 1.00 1.00 C ATOM 1090 C GLY A 69 -1.965 -8.761 -10.758 1.00 1.00 C ATOM 1091 O GLY A 69 -1.265 -8.236 -9.916 1.00 1.00 O ATOM 0 H GLY A 69 -3.931 -10.664 -11.698 1.00 1.00 H new ATOM 0 HA2 GLY A 69 -2.216 -10.774 -10.016 1.00 1.00 H new ATOM 0 HA3 GLY A 69 -0.973 -10.619 -11.242 1.00 1.00 H new ATOM 1095 N PHE A 70 -2.745 -8.052 -11.528 1.00 1.00 N ATOM 1096 CA PHE A 70 -2.785 -6.568 -11.381 1.00 1.00 C ATOM 1097 C PHE A 70 -4.014 -6.153 -10.568 1.00 1.00 C ATOM 1098 O PHE A 70 -5.075 -5.911 -11.109 1.00 1.00 O ATOM 1099 CB PHE A 70 -2.880 -6.029 -12.808 1.00 1.00 C ATOM 1100 CG PHE A 70 -2.259 -7.021 -13.764 1.00 1.00 C ATOM 1101 CD1 PHE A 70 -0.940 -7.446 -13.572 1.00 1.00 C ATOM 1102 CD2 PHE A 70 -3.005 -7.515 -14.842 1.00 1.00 C ATOM 1103 CE1 PHE A 70 -0.364 -8.365 -14.457 1.00 1.00 C ATOM 1104 CE2 PHE A 70 -2.430 -8.433 -15.728 1.00 1.00 C ATOM 1105 CZ PHE A 70 -1.109 -8.858 -15.536 1.00 1.00 C ATOM 0 H PHE A 70 -3.355 -8.434 -12.251 1.00 1.00 H new ATOM 0 HA PHE A 70 -1.910 -6.181 -10.858 1.00 1.00 H new ATOM 0 HB2 PHE A 70 -3.923 -5.856 -13.074 1.00 1.00 H new ATOM 0 HB3 PHE A 70 -2.369 -5.069 -12.880 1.00 1.00 H new ATOM 0 HD1 PHE A 70 -0.366 -7.065 -12.740 1.00 1.00 H new ATOM 0 HD2 PHE A 70 -4.024 -7.187 -14.989 1.00 1.00 H new ATOM 0 HE1 PHE A 70 0.654 -8.694 -14.308 1.00 1.00 H new ATOM 0 HE2 PHE A 70 -3.004 -8.814 -16.560 1.00 1.00 H new ATOM 0 HZ PHE A 70 -0.665 -9.566 -16.220 1.00 1.00 H new ATOM 1115 N GLY A 71 -3.882 -6.072 -9.272 1.00 1.00 N ATOM 1116 CA GLY A 71 -5.045 -5.675 -8.429 1.00 1.00 C ATOM 1117 C GLY A 71 -5.887 -6.912 -8.113 1.00 1.00 C ATOM 1118 O GLY A 71 -7.064 -6.818 -7.819 1.00 1.00 O ATOM 0 H GLY A 71 -3.020 -6.263 -8.761 1.00 1.00 H new ATOM 0 HA2 GLY A 71 -4.698 -5.212 -7.505 1.00 1.00 H new ATOM 0 HA3 GLY A 71 -5.650 -4.933 -8.950 1.00 1.00 H new ATOM 1122 N LYS A 72 -5.291 -8.074 -8.161 1.00 1.00 N ATOM 1123 CA LYS A 72 -6.061 -9.315 -7.867 1.00 1.00 C ATOM 1124 C LYS A 72 -6.359 -9.384 -6.374 1.00 1.00 C ATOM 1125 O LYS A 72 -7.091 -10.236 -5.912 1.00 1.00 O ATOM 1126 CB LYS A 72 -5.142 -10.464 -8.285 1.00 1.00 C ATOM 1127 CG LYS A 72 -4.132 -10.742 -7.171 1.00 1.00 C ATOM 1128 CD LYS A 72 -4.848 -11.387 -5.981 1.00 1.00 C ATOM 1129 CE LYS A 72 -5.528 -12.681 -6.434 1.00 1.00 C ATOM 1130 NZ LYS A 72 -5.605 -13.524 -5.209 1.00 1.00 N ATOM 0 H LYS A 72 -4.307 -8.216 -8.390 1.00 1.00 H new ATOM 0 HA LYS A 72 -7.015 -9.353 -8.393 1.00 1.00 H new ATOM 0 HB2 LYS A 72 -5.731 -11.359 -8.488 1.00 1.00 H new ATOM 0 HB3 LYS A 72 -4.621 -10.209 -9.208 1.00 1.00 H new ATOM 0 HG2 LYS A 72 -3.344 -11.401 -7.536 1.00 1.00 H new ATOM 0 HG3 LYS A 72 -3.652 -9.814 -6.861 1.00 1.00 H new ATOM 0 HD2 LYS A 72 -4.134 -11.598 -5.185 1.00 1.00 H new ATOM 0 HD3 LYS A 72 -5.588 -10.699 -5.572 1.00 1.00 H new ATOM 0 HE2 LYS A 72 -6.520 -12.484 -6.841 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -4.954 -13.175 -7.218 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 -6.060 -14.430 -5.439 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 -4.646 -13.700 -4.848 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 -6.163 -13.031 -4.483 1.00 1.00 H new ATOM 1143 N TYR A 73 -5.818 -8.471 -5.621 1.00 1.00 N ATOM 1144 CA TYR A 73 -6.093 -8.457 -4.162 1.00 1.00 C ATOM 1145 C TYR A 73 -7.400 -7.703 -3.917 1.00 1.00 C ATOM 1146 O TYR A 73 -8.105 -7.950 -2.959 1.00 1.00 O ATOM 1147 CB TYR A 73 -4.910 -7.718 -3.537 1.00 1.00 C ATOM 1148 CG TYR A 73 -3.637 -8.480 -3.817 1.00 1.00 C ATOM 1149 CD1 TYR A 73 -2.990 -8.334 -5.051 1.00 1.00 C ATOM 1150 CD2 TYR A 73 -3.105 -9.335 -2.845 1.00 1.00 C ATOM 1151 CE1 TYR A 73 -1.811 -9.042 -5.311 1.00 1.00 C ATOM 1152 CE2 TYR A 73 -1.925 -10.044 -3.105 1.00 1.00 C ATOM 1153 CZ TYR A 73 -1.279 -9.896 -4.338 1.00 1.00 C ATOM 1154 OH TYR A 73 -0.117 -10.596 -4.595 1.00 1.00 O ATOM 0 H TYR A 73 -5.197 -7.734 -5.954 1.00 1.00 H new ATOM 0 HA TYR A 73 -6.200 -9.454 -3.736 1.00 1.00 H new ATOM 0 HB2 TYR A 73 -4.840 -6.710 -3.945 1.00 1.00 H new ATOM 0 HB3 TYR A 73 -5.057 -7.617 -2.462 1.00 1.00 H new ATOM 0 HD1 TYR A 73 -3.401 -7.675 -5.802 1.00 1.00 H new ATOM 0 HD2 TYR A 73 -3.604 -9.448 -1.894 1.00 1.00 H new ATOM 0 HE1 TYR A 73 -1.312 -8.929 -6.262 1.00 1.00 H new ATOM 0 HE2 TYR A 73 -1.514 -10.704 -2.355 1.00 1.00 H new ATOM 0 HH TYR A 73 0.116 -11.142 -3.815 1.00 1.00 H new ATOM 1164 N GLN A 74 -7.731 -6.786 -4.789 1.00 1.00 N ATOM 1165 CA GLN A 74 -8.998 -6.019 -4.619 1.00 1.00 C ATOM 1166 C GLN A 74 -10.124 -6.678 -5.423 1.00 1.00 C ATOM 1167 O GLN A 74 -11.224 -6.861 -4.938 1.00 1.00 O ATOM 1168 CB GLN A 74 -8.694 -4.624 -5.166 1.00 1.00 C ATOM 1169 CG GLN A 74 -7.201 -4.513 -5.480 1.00 1.00 C ATOM 1170 CD GLN A 74 -7.001 -4.442 -6.995 1.00 1.00 C ATOM 1171 OE1 GLN A 74 -5.953 -4.045 -7.464 1.00 1.00 O ATOM 1172 NE2 GLN A 74 -7.970 -4.810 -7.787 1.00 1.00 N ATOM 0 H GLN A 74 -7.179 -6.536 -5.610 1.00 1.00 H new ATOM 0 HA GLN A 74 -9.325 -5.986 -3.580 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -9.280 -4.439 -6.066 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -8.981 -3.866 -4.437 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -6.784 -3.625 -5.006 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -6.668 -5.372 -5.072 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -8.850 -5.144 -7.395 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -7.847 -4.764 -8.799 1.00 1.00 H new ATOM 1181 N GLY A 75 -9.858 -7.033 -6.650 1.00 1.00 N ATOM 1182 CA GLY A 75 -10.914 -7.678 -7.480 1.00 1.00 C ATOM 1183 C GLY A 75 -11.952 -6.628 -7.868 1.00 1.00 C ATOM 1184 O GLY A 75 -11.829 -5.957 -8.872 1.00 1.00 O ATOM 0 H GLY A 75 -8.958 -6.905 -7.113 1.00 1.00 H new ATOM 0 HA2 GLY A 75 -10.473 -8.120 -8.374 1.00 1.00 H new ATOM 0 HA3 GLY A 75 -11.387 -8.488 -6.925 1.00 1.00 H new ATOM 1188 N THR A 76 -12.974 -6.476 -7.072 1.00 1.00 N ATOM 1189 CA THR A 76 -14.022 -5.464 -7.387 1.00 1.00 C ATOM 1190 C THR A 76 -13.814 -4.216 -6.524 1.00 1.00 C ATOM 1191 O THR A 76 -14.563 -3.955 -5.603 1.00 1.00 O ATOM 1192 CB THR A 76 -15.348 -6.143 -7.040 1.00 1.00 C ATOM 1193 OG1 THR A 76 -15.098 -7.474 -6.610 1.00 1.00 O ATOM 1194 CG2 THR A 76 -16.251 -6.165 -8.275 1.00 1.00 C ATOM 0 H THR A 76 -13.129 -7.009 -6.216 1.00 1.00 H new ATOM 0 HA THR A 76 -13.993 -5.144 -8.428 1.00 1.00 H new ATOM 0 HB THR A 76 -15.842 -5.589 -6.242 1.00 1.00 H new ATOM 0 HG1 THR A 76 -15.946 -7.910 -6.386 1.00 1.00 H new ATOM 0 HG21 THR A 76 -17.195 -6.649 -8.027 1.00 1.00 H new ATOM 0 HG22 THR A 76 -16.442 -5.144 -8.604 1.00 1.00 H new ATOM 0 HG23 THR A 76 -15.759 -6.718 -9.075 1.00 1.00 H new ATOM 1202 N TRP A 77 -12.801 -3.449 -6.813 1.00 1.00 N ATOM 1203 CA TRP A 77 -12.541 -2.222 -6.006 1.00 1.00 C ATOM 1204 C TRP A 77 -13.531 -1.117 -6.381 1.00 1.00 C ATOM 1205 O TRP A 77 -14.161 -1.155 -7.419 1.00 1.00 O ATOM 1206 CB TRP A 77 -11.113 -1.802 -6.358 1.00 1.00 C ATOM 1207 CG TRP A 77 -10.837 -2.106 -7.796 1.00 1.00 C ATOM 1208 CD1 TRP A 77 -11.765 -2.490 -8.702 1.00 1.00 C ATOM 1209 CD2 TRP A 77 -9.566 -2.057 -8.507 1.00 1.00 C ATOM 1210 NE1 TRP A 77 -11.144 -2.680 -9.923 1.00 1.00 N ATOM 1211 CE2 TRP A 77 -9.789 -2.426 -9.854 1.00 1.00 C ATOM 1212 CE3 TRP A 77 -8.254 -1.732 -8.117 1.00 1.00 C ATOM 1213 CZ2 TRP A 77 -8.748 -2.471 -10.782 1.00 1.00 C ATOM 1214 CZ3 TRP A 77 -7.205 -1.776 -9.048 1.00 1.00 C ATOM 1215 CH2 TRP A 77 -7.451 -2.144 -10.378 1.00 1.00 C ATOM 0 H TRP A 77 -12.141 -3.617 -7.572 1.00 1.00 H new ATOM 0 HA TRP A 77 -12.659 -2.405 -4.938 1.00 1.00 H new ATOM 0 HB2 TRP A 77 -10.980 -0.737 -6.170 1.00 1.00 H new ATOM 0 HB3 TRP A 77 -10.402 -2.329 -5.722 1.00 1.00 H new ATOM 0 HD1 TRP A 77 -12.818 -2.626 -8.504 1.00 1.00 H new ATOM 0 HE1 TRP A 77 -11.629 -2.972 -10.772 1.00 1.00 H new ATOM 0 HE3 TRP A 77 -8.053 -1.447 -7.095 1.00 1.00 H new ATOM 0 HZ2 TRP A 77 -8.943 -2.757 -11.805 1.00 1.00 H new ATOM 0 HZ3 TRP A 77 -6.202 -1.525 -8.738 1.00 1.00 H new ATOM 0 HH2 TRP A 77 -6.639 -2.175 -11.090 1.00 1.00 H new ATOM 1226 N VAL A 78 -13.664 -0.128 -5.541 1.00 1.00 N ATOM 1227 CA VAL A 78 -14.603 0.989 -5.840 1.00 1.00 C ATOM 1228 C VAL A 78 -13.983 2.317 -5.398 1.00 1.00 C ATOM 1229 O VAL A 78 -13.064 2.336 -4.603 1.00 1.00 O ATOM 1230 CB VAL A 78 -15.858 0.682 -5.022 1.00 1.00 C ATOM 1231 CG1 VAL A 78 -16.808 -0.185 -5.849 1.00 1.00 C ATOM 1232 CG2 VAL A 78 -15.463 -0.068 -3.748 1.00 1.00 C ATOM 0 H VAL A 78 -13.161 -0.045 -4.658 1.00 1.00 H new ATOM 0 HA VAL A 78 -14.826 1.075 -6.903 1.00 1.00 H new ATOM 0 HB VAL A 78 -16.356 1.615 -4.757 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -17.702 -0.403 -5.265 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -17.089 0.348 -6.758 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -16.311 -1.118 -6.114 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -16.356 -0.288 -3.163 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -14.965 -1.000 -4.014 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -14.786 0.549 -3.158 1.00 1.00 H new ATOM 1242 N PRO A 79 -14.508 3.386 -5.929 1.00 1.00 N ATOM 1243 CA PRO A 79 -13.995 4.732 -5.579 1.00 1.00 C ATOM 1244 C PRO A 79 -13.953 4.898 -4.058 1.00 1.00 C ATOM 1245 O PRO A 79 -14.972 4.932 -3.400 1.00 1.00 O ATOM 1246 CB PRO A 79 -15.010 5.686 -6.205 1.00 1.00 C ATOM 1247 CG PRO A 79 -15.691 4.895 -7.280 1.00 1.00 C ATOM 1248 CD PRO A 79 -15.614 3.441 -6.889 1.00 1.00 C ATOM 0 HA PRO A 79 -12.982 4.912 -5.937 1.00 1.00 H new ATOM 0 HB2 PRO A 79 -15.727 6.039 -5.463 1.00 1.00 H new ATOM 0 HB3 PRO A 79 -14.518 6.567 -6.617 1.00 1.00 H new ATOM 0 HG2 PRO A 79 -16.729 5.209 -7.388 1.00 1.00 H new ATOM 0 HG3 PRO A 79 -15.207 5.060 -8.243 1.00 1.00 H new ATOM 0 HD2 PRO A 79 -16.547 3.099 -6.442 1.00 1.00 H new ATOM 0 HD3 PRO A 79 -15.423 2.805 -7.754 1.00 1.00 H new ATOM 1256 N LEU A 80 -12.779 4.998 -3.492 1.00 1.00 N ATOM 1257 CA LEU A 80 -12.675 5.156 -2.013 1.00 1.00 C ATOM 1258 C LEU A 80 -13.587 6.287 -1.530 1.00 1.00 C ATOM 1259 O LEU A 80 -14.098 6.254 -0.426 1.00 1.00 O ATOM 1260 CB LEU A 80 -11.209 5.505 -1.756 1.00 1.00 C ATOM 1261 CG LEU A 80 -11.105 6.390 -0.512 1.00 1.00 C ATOM 1262 CD1 LEU A 80 -10.730 5.531 0.696 1.00 1.00 C ATOM 1263 CD2 LEU A 80 -10.027 7.454 -0.735 1.00 1.00 C ATOM 0 H LEU A 80 -11.889 4.977 -3.990 1.00 1.00 H new ATOM 0 HA LEU A 80 -12.982 4.255 -1.481 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -10.626 4.594 -1.617 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -10.791 6.022 -2.619 1.00 1.00 H new ATOM 0 HG LEU A 80 -12.064 6.874 -0.329 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -10.656 6.162 1.582 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -11.496 4.772 0.854 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -9.771 5.047 0.514 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -9.951 8.086 0.150 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -9.068 6.968 -0.917 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -10.293 8.067 -1.596 1.00 1.00 H new ATOM 1275 N ASN A 81 -13.804 7.282 -2.347 1.00 1.00 N ATOM 1276 CA ASN A 81 -14.692 8.407 -1.931 1.00 1.00 C ATOM 1277 C ASN A 81 -16.116 7.891 -1.724 1.00 1.00 C ATOM 1278 O ASN A 81 -16.854 8.384 -0.895 1.00 1.00 O ATOM 1279 CB ASN A 81 -14.643 9.403 -3.091 1.00 1.00 C ATOM 1280 CG ASN A 81 -13.381 10.260 -2.975 1.00 1.00 C ATOM 1281 OD1 ASN A 81 -12.456 9.908 -2.270 1.00 1.00 O ATOM 1282 ND2 ASN A 81 -13.304 11.378 -3.642 1.00 1.00 N ATOM 0 H ASN A 81 -13.406 7.365 -3.283 1.00 1.00 H new ATOM 0 HA ASN A 81 -14.376 8.865 -0.994 1.00 1.00 H new ATOM 0 HB2 ASN A 81 -14.648 8.870 -4.042 1.00 1.00 H new ATOM 0 HB3 ASN A 81 -15.529 10.038 -3.077 1.00 1.00 H new ATOM 0 HD21 ASN A 81 -12.467 11.957 -3.572 1.00 1.00 H new ATOM 0 HD22 ASN A 81 -14.081 11.673 -4.234 1.00 1.00 H new ATOM 1289 N ILE A 82 -16.499 6.892 -2.468 1.00 1.00 N ATOM 1290 CA ILE A 82 -17.867 6.327 -2.315 1.00 1.00 C ATOM 1291 C ILE A 82 -17.780 4.961 -1.632 1.00 1.00 C ATOM 1292 O ILE A 82 -18.655 4.567 -0.886 1.00 1.00 O ATOM 1293 CB ILE A 82 -18.401 6.184 -3.740 1.00 1.00 C ATOM 1294 CG1 ILE A 82 -17.741 4.979 -4.413 1.00 1.00 C ATOM 1295 CG2 ILE A 82 -18.081 7.451 -4.535 1.00 1.00 C ATOM 1296 CD1 ILE A 82 -18.268 3.689 -3.782 1.00 1.00 C ATOM 0 H ILE A 82 -15.921 6.441 -3.178 1.00 1.00 H new ATOM 0 HA ILE A 82 -18.516 6.955 -1.705 1.00 1.00 H new ATOM 0 HB ILE A 82 -19.481 6.038 -3.710 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -17.952 4.986 -5.482 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -16.658 5.035 -4.301 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -18.462 7.349 -5.551 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -18.551 8.310 -4.056 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -17.001 7.599 -4.565 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -17.798 2.831 -4.262 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -18.034 3.683 -2.717 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -19.348 3.633 -3.917 1.00 1.00 H new ATOM 1308 N ALA A 83 -16.720 4.240 -1.878 1.00 1.00 N ATOM 1309 CA ALA A 83 -16.565 2.903 -1.243 1.00 1.00 C ATOM 1310 C ALA A 83 -16.449 3.059 0.275 1.00 1.00 C ATOM 1311 O ALA A 83 -17.235 2.512 1.023 1.00 1.00 O ATOM 1312 CB ALA A 83 -15.272 2.333 -1.825 1.00 1.00 C ATOM 0 H ALA A 83 -15.955 4.520 -2.492 1.00 1.00 H new ATOM 0 HA ALA A 83 -17.416 2.250 -1.435 1.00 1.00 H new ATOM 0 HB1 ALA A 83 -15.088 1.345 -1.404 1.00 1.00 H new ATOM 0 HB2 ALA A 83 -15.364 2.254 -2.908 1.00 1.00 H new ATOM 0 HB3 ALA A 83 -14.440 2.993 -1.579 1.00 1.00 H new ATOM 1318 N LYS A 84 -15.476 3.797 0.740 1.00 1.00 N ATOM 1319 CA LYS A 84 -15.321 3.977 2.211 1.00 1.00 C ATOM 1320 C LYS A 84 -16.555 4.669 2.793 1.00 1.00 C ATOM 1321 O LYS A 84 -16.928 4.442 3.926 1.00 1.00 O ATOM 1322 CB LYS A 84 -14.084 4.862 2.372 1.00 1.00 C ATOM 1323 CG LYS A 84 -14.160 5.607 3.706 1.00 1.00 C ATOM 1324 CD LYS A 84 -13.527 6.991 3.555 1.00 1.00 C ATOM 1325 CE LYS A 84 -13.337 7.620 4.938 1.00 1.00 C ATOM 1326 NZ LYS A 84 -12.618 8.899 4.682 1.00 1.00 N ATOM 0 H LYS A 84 -14.785 4.281 0.167 1.00 1.00 H new ATOM 0 HA LYS A 84 -15.215 3.027 2.735 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -13.181 4.253 2.334 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -14.023 5.574 1.549 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -15.199 5.703 4.022 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -13.642 5.041 4.481 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -12.567 6.910 3.046 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -14.162 7.627 2.938 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -14.295 7.796 5.427 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -12.760 6.967 5.593 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -12.451 9.390 5.584 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -11.707 8.699 4.222 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 -13.194 9.503 4.061 1.00 1.00 H new ATOM 1339 N GLN A 85 -17.199 5.508 2.028 1.00 1.00 N ATOM 1340 CA GLN A 85 -18.409 6.202 2.548 1.00 1.00 C ATOM 1341 C GLN A 85 -19.564 5.208 2.671 1.00 1.00 C ATOM 1342 O GLN A 85 -20.472 5.387 3.459 1.00 1.00 O ATOM 1343 CB GLN A 85 -18.730 7.280 1.511 1.00 1.00 C ATOM 1344 CG GLN A 85 -20.220 7.622 1.574 1.00 1.00 C ATOM 1345 CD GLN A 85 -20.904 7.160 0.286 1.00 1.00 C ATOM 1346 OE1 GLN A 85 -21.799 6.338 0.321 1.00 1.00 O ATOM 1347 NE2 GLN A 85 -20.519 7.657 -0.857 1.00 1.00 N ATOM 0 H GLN A 85 -16.940 5.742 1.069 1.00 1.00 H new ATOM 0 HA GLN A 85 -18.250 6.632 3.537 1.00 1.00 H new ATOM 0 HB2 GLN A 85 -18.133 8.172 1.701 1.00 1.00 H new ATOM 0 HB3 GLN A 85 -18.469 6.929 0.513 1.00 1.00 H new ATOM 0 HG2 GLN A 85 -20.679 7.138 2.436 1.00 1.00 H new ATOM 0 HG3 GLN A 85 -20.352 8.696 1.704 1.00 1.00 H new ATOM 0 HE21 GLN A 85 -19.768 8.347 -0.886 1.00 1.00 H new ATOM 0 HE22 GLN A 85 -20.969 7.356 -1.721 1.00 1.00 H new ATOM 1356 N LEU A 86 -19.525 4.151 1.909 1.00 1.00 N ATOM 1357 CA LEU A 86 -20.609 3.133 1.993 1.00 1.00 C ATOM 1358 C LEU A 86 -20.239 2.083 3.041 1.00 1.00 C ATOM 1359 O LEU A 86 -21.063 1.645 3.818 1.00 1.00 O ATOM 1360 CB LEU A 86 -20.679 2.509 0.603 1.00 1.00 C ATOM 1361 CG LEU A 86 -21.899 1.592 0.516 1.00 1.00 C ATOM 1362 CD1 LEU A 86 -22.675 1.645 1.833 1.00 1.00 C ATOM 1363 CD2 LEU A 86 -22.805 2.059 -0.627 1.00 1.00 C ATOM 0 H LEU A 86 -18.790 3.948 1.232 1.00 1.00 H new ATOM 0 HA LEU A 86 -21.568 3.561 2.286 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -20.743 3.290 -0.155 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -19.770 1.942 0.401 1.00 1.00 H new ATOM 0 HG LEU A 86 -21.571 0.569 0.329 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -23.545 0.991 1.770 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -22.031 1.315 2.648 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -23.003 2.667 2.021 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -23.676 1.406 -0.691 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -23.131 3.082 -0.438 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -22.254 2.022 -1.567 1.00 1.00 H new ATOM 1375 N ALA A 87 -18.999 1.679 3.065 1.00 1.00 N ATOM 1376 CA ALA A 87 -18.565 0.660 4.060 1.00 1.00 C ATOM 1377 C ALA A 87 -18.153 1.338 5.370 1.00 1.00 C ATOM 1378 O ALA A 87 -18.715 1.076 6.416 1.00 1.00 O ATOM 1379 CB ALA A 87 -17.366 -0.038 3.416 1.00 1.00 C ATOM 0 H ALA A 87 -18.267 2.011 2.437 1.00 1.00 H new ATOM 0 HA ALA A 87 -19.362 -0.042 4.305 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -16.987 -0.806 4.090 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -17.674 -0.499 2.477 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -16.581 0.693 3.221 1.00 1.00 H new ATOM 1385 N GLU A 88 -17.174 2.202 5.325 1.00 1.00 N ATOM 1386 CA GLU A 88 -16.723 2.888 6.566 1.00 1.00 C ATOM 1387 C GLU A 88 -17.904 3.138 7.501 1.00 1.00 C ATOM 1388 O GLU A 88 -17.744 3.257 8.700 1.00 1.00 O ATOM 1389 CB GLU A 88 -16.128 4.205 6.082 1.00 1.00 C ATOM 1390 CG GLU A 88 -17.114 5.344 6.347 1.00 1.00 C ATOM 1391 CD GLU A 88 -16.426 6.686 6.085 1.00 1.00 C ATOM 1392 OE1 GLU A 88 -16.034 6.917 4.953 1.00 1.00 O ATOM 1393 OE2 GLU A 88 -16.302 7.459 7.020 1.00 1.00 O ATOM 0 H GLU A 88 -16.667 2.461 4.479 1.00 1.00 H new ATOM 0 HA GLU A 88 -16.004 2.294 7.131 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -15.186 4.400 6.595 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -15.905 4.145 5.017 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -17.988 5.240 5.704 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -17.469 5.300 7.377 1.00 1.00 H new ATOM 1400 N LYS A 89 -19.092 3.206 6.969 1.00 1.00 N ATOM 1401 CA LYS A 89 -20.278 3.432 7.838 1.00 1.00 C ATOM 1402 C LYS A 89 -20.518 2.200 8.711 1.00 1.00 C ATOM 1403 O LYS A 89 -19.876 2.008 9.725 1.00 1.00 O ATOM 1404 CB LYS A 89 -21.445 3.644 6.871 1.00 1.00 C ATOM 1405 CG LYS A 89 -22.760 3.653 7.654 1.00 1.00 C ATOM 1406 CD LYS A 89 -23.916 3.979 6.706 1.00 1.00 C ATOM 1407 CE LYS A 89 -23.436 3.871 5.257 1.00 1.00 C ATOM 1408 NZ LYS A 89 -24.440 4.632 4.462 1.00 1.00 N ATOM 0 H LYS A 89 -19.292 3.115 5.973 1.00 1.00 H new ATOM 0 HA LYS A 89 -20.151 4.283 8.508 1.00 1.00 H new ATOM 0 HB2 LYS A 89 -21.321 4.585 6.336 1.00 1.00 H new ATOM 0 HB3 LYS A 89 -21.460 2.851 6.123 1.00 1.00 H new ATOM 0 HG2 LYS A 89 -22.923 2.683 8.123 1.00 1.00 H new ATOM 0 HG3 LYS A 89 -22.714 4.391 8.455 1.00 1.00 H new ATOM 0 HD2 LYS A 89 -24.745 3.292 6.877 1.00 1.00 H new ATOM 0 HD3 LYS A 89 -24.289 4.984 6.903 1.00 1.00 H new ATOM 0 HE2 LYS A 89 -22.438 4.292 5.139 1.00 1.00 H new ATOM 0 HE3 LYS A 89 -23.383 2.831 4.935 1.00 1.00 H new ATOM 0 HZ1 LYS A 89 -24.179 4.604 3.456 1.00 1.00 H new ATOM 0 HZ2 LYS A 89 -25.379 4.204 4.588 1.00 1.00 H new ATOM 0 HZ3 LYS A 89 -24.463 5.620 4.786 1.00 1.00 H new ATOM 1421 N PHE A 90 -21.433 1.359 8.317 1.00 1.00 N ATOM 1422 CA PHE A 90 -21.713 0.130 9.114 1.00 1.00 C ATOM 1423 C PHE A 90 -21.236 -1.110 8.353 1.00 1.00 C ATOM 1424 O PHE A 90 -21.372 -2.227 8.815 1.00 1.00 O ATOM 1425 CB PHE A 90 -23.232 0.104 9.283 1.00 1.00 C ATOM 1426 CG PHE A 90 -23.581 -0.504 10.620 1.00 1.00 C ATOM 1427 CD1 PHE A 90 -22.783 -1.521 11.156 1.00 1.00 C ATOM 1428 CD2 PHE A 90 -24.701 -0.049 11.325 1.00 1.00 C ATOM 1429 CE1 PHE A 90 -23.106 -2.085 12.396 1.00 1.00 C ATOM 1430 CE2 PHE A 90 -25.025 -0.613 12.566 1.00 1.00 C ATOM 1431 CZ PHE A 90 -24.227 -1.630 13.101 1.00 1.00 C ATOM 0 H PHE A 90 -22.000 1.469 7.476 1.00 1.00 H new ATOM 0 HA PHE A 90 -21.197 0.133 10.074 1.00 1.00 H new ATOM 0 HB2 PHE A 90 -23.633 1.115 9.216 1.00 1.00 H new ATOM 0 HB3 PHE A 90 -23.688 -0.474 8.479 1.00 1.00 H new ATOM 0 HD1 PHE A 90 -21.918 -1.871 10.613 1.00 1.00 H new ATOM 0 HD2 PHE A 90 -25.316 0.737 10.912 1.00 1.00 H new ATOM 0 HE1 PHE A 90 -22.491 -2.871 12.809 1.00 1.00 H new ATOM 0 HE2 PHE A 90 -25.890 -0.263 13.109 1.00 1.00 H new ATOM 0 HZ PHE A 90 -24.476 -2.064 14.058 1.00 1.00 H new ATOM 1441 N SER A 91 -20.694 -0.923 7.181 1.00 1.00 N ATOM 1442 CA SER A 91 -20.226 -2.086 6.376 1.00 1.00 C ATOM 1443 C SER A 91 -19.038 -2.785 7.046 1.00 1.00 C ATOM 1444 O SER A 91 -19.204 -3.663 7.868 1.00 1.00 O ATOM 1445 CB SER A 91 -19.804 -1.491 5.035 1.00 1.00 C ATOM 1446 OG SER A 91 -19.621 -2.539 4.092 1.00 1.00 O ATOM 0 H SER A 91 -20.555 -0.011 6.745 1.00 1.00 H new ATOM 0 HA SER A 91 -21.005 -2.841 6.271 1.00 1.00 H new ATOM 0 HB2 SER A 91 -20.563 -0.794 4.679 1.00 1.00 H new ATOM 0 HB3 SER A 91 -18.880 -0.925 5.150 1.00 1.00 H new ATOM 0 HG SER A 91 -18.702 -2.517 3.753 1.00 1.00 H new ATOM 1452 N VAL A 92 -17.839 -2.398 6.700 1.00 1.00 N ATOM 1453 CA VAL A 92 -16.631 -3.025 7.308 1.00 1.00 C ATOM 1454 C VAL A 92 -15.775 -1.953 7.989 1.00 1.00 C ATOM 1455 O VAL A 92 -14.624 -2.174 8.309 1.00 1.00 O ATOM 1456 CB VAL A 92 -15.875 -3.652 6.136 1.00 1.00 C ATOM 1457 CG1 VAL A 92 -14.819 -4.622 6.668 1.00 1.00 C ATOM 1458 CG2 VAL A 92 -16.859 -4.410 5.244 1.00 1.00 C ATOM 0 H VAL A 92 -17.644 -1.667 6.016 1.00 1.00 H new ATOM 0 HA VAL A 92 -16.884 -3.765 8.068 1.00 1.00 H new ATOM 0 HB VAL A 92 -15.387 -2.867 5.557 1.00 1.00 H new ATOM 0 HG11 VAL A 92 -14.281 -5.068 5.832 1.00 1.00 H new ATOM 0 HG12 VAL A 92 -14.118 -4.083 7.305 1.00 1.00 H new ATOM 0 HG13 VAL A 92 -15.305 -5.407 7.247 1.00 1.00 H new ATOM 0 HG21 VAL A 92 -16.322 -4.858 4.408 1.00 1.00 H new ATOM 0 HG22 VAL A 92 -17.346 -5.194 5.824 1.00 1.00 H new ATOM 0 HG23 VAL A 92 -17.612 -3.719 4.864 1.00 1.00 H new ATOM 1468 N TYR A 93 -16.323 -0.787 8.193 1.00 1.00 N ATOM 1469 CA TYR A 93 -15.527 0.302 8.830 1.00 1.00 C ATOM 1470 C TYR A 93 -14.478 -0.300 9.769 1.00 1.00 C ATOM 1471 O TYR A 93 -13.289 -0.148 9.564 1.00 1.00 O ATOM 1472 CB TYR A 93 -16.542 1.129 9.619 1.00 1.00 C ATOM 1473 CG TYR A 93 -15.980 1.442 10.985 1.00 1.00 C ATOM 1474 CD1 TYR A 93 -14.985 2.417 11.125 1.00 1.00 C ATOM 1475 CD2 TYR A 93 -16.453 0.757 12.111 1.00 1.00 C ATOM 1476 CE1 TYR A 93 -14.463 2.708 12.392 1.00 1.00 C ATOM 1477 CE2 TYR A 93 -15.931 1.047 13.377 1.00 1.00 C ATOM 1478 CZ TYR A 93 -14.936 2.023 13.518 1.00 1.00 C ATOM 1479 OH TYR A 93 -14.421 2.308 14.766 1.00 1.00 O ATOM 0 H TYR A 93 -17.282 -0.541 7.948 1.00 1.00 H new ATOM 0 HA TYR A 93 -14.993 0.908 8.098 1.00 1.00 H new ATOM 0 HB2 TYR A 93 -16.768 2.053 9.086 1.00 1.00 H new ATOM 0 HB3 TYR A 93 -17.478 0.580 9.716 1.00 1.00 H new ATOM 0 HD1 TYR A 93 -14.620 2.945 10.256 1.00 1.00 H new ATOM 0 HD2 TYR A 93 -17.221 0.005 12.003 1.00 1.00 H new ATOM 0 HE1 TYR A 93 -13.696 3.461 12.500 1.00 1.00 H new ATOM 0 HE2 TYR A 93 -16.295 0.518 14.245 1.00 1.00 H new ATOM 0 HH TYR A 93 -14.859 1.744 15.437 1.00 1.00 H new ATOM 1489 N ASP A 94 -14.904 -0.979 10.798 1.00 1.00 N ATOM 1490 CA ASP A 94 -13.925 -1.584 11.748 1.00 1.00 C ATOM 1491 C ASP A 94 -12.775 -2.243 10.982 1.00 1.00 C ATOM 1492 O ASP A 94 -11.624 -1.889 11.144 1.00 1.00 O ATOM 1493 CB ASP A 94 -14.723 -2.633 12.523 1.00 1.00 C ATOM 1494 CG ASP A 94 -14.655 -2.324 14.020 1.00 1.00 C ATOM 1495 OD1 ASP A 94 -15.324 -1.397 14.444 1.00 1.00 O ATOM 1496 OD2 ASP A 94 -13.934 -3.021 14.715 1.00 1.00 O ATOM 0 H ASP A 94 -15.886 -1.142 11.023 1.00 1.00 H new ATOM 0 HA ASP A 94 -13.478 -0.840 12.407 1.00 1.00 H new ATOM 0 HB2 ASP A 94 -15.760 -2.636 12.188 1.00 1.00 H new ATOM 0 HB3 ASP A 94 -14.322 -3.628 12.328 1.00 1.00 H new ATOM 1501 N GLN A 95 -13.076 -3.204 10.152 1.00 1.00 N ATOM 1502 CA GLN A 95 -11.998 -3.888 9.379 1.00 1.00 C ATOM 1503 C GLN A 95 -11.116 -2.858 8.668 1.00 1.00 C ATOM 1504 O GLN A 95 -9.904 -2.959 8.669 1.00 1.00 O ATOM 1505 CB GLN A 95 -12.733 -4.758 8.360 1.00 1.00 C ATOM 1506 CG GLN A 95 -12.347 -6.224 8.567 1.00 1.00 C ATOM 1507 CD GLN A 95 -13.596 -7.102 8.462 1.00 1.00 C ATOM 1508 OE1 GLN A 95 -14.511 -6.972 9.249 1.00 1.00 O ATOM 1509 NE2 GLN A 95 -13.671 -7.995 7.514 1.00 1.00 N ATOM 0 H GLN A 95 -14.021 -3.546 9.975 1.00 1.00 H new ATOM 0 HA GLN A 95 -11.342 -4.476 10.021 1.00 1.00 H new ATOM 0 HB2 GLN A 95 -13.810 -4.635 8.471 1.00 1.00 H new ATOM 0 HB3 GLN A 95 -12.479 -4.444 7.348 1.00 1.00 H new ATOM 0 HG2 GLN A 95 -11.613 -6.527 7.820 1.00 1.00 H new ATOM 0 HG3 GLN A 95 -11.880 -6.353 9.543 1.00 1.00 H new ATOM 0 HE21 GLN A 95 -12.901 -8.103 6.853 1.00 1.00 H new ATOM 0 HE22 GLN A 95 -14.499 -8.585 7.433 1.00 1.00 H new ATOM 1518 N LEU A 96 -11.711 -1.870 8.059 1.00 1.00 N ATOM 1519 CA LEU A 96 -10.903 -0.839 7.347 1.00 1.00 C ATOM 1520 C LEU A 96 -10.325 0.168 8.346 1.00 1.00 C ATOM 1521 O LEU A 96 -10.189 1.339 8.051 1.00 1.00 O ATOM 1522 CB LEU A 96 -11.885 -0.151 6.400 1.00 1.00 C ATOM 1523 CG LEU A 96 -13.089 -1.063 6.161 1.00 1.00 C ATOM 1524 CD1 LEU A 96 -13.672 -0.788 4.773 1.00 1.00 C ATOM 1525 CD2 LEU A 96 -12.644 -2.525 6.246 1.00 1.00 C ATOM 0 H LEU A 96 -12.721 -1.731 8.023 1.00 1.00 H new ATOM 0 HA LEU A 96 -10.058 -1.275 6.813 1.00 1.00 H new ATOM 0 HB2 LEU A 96 -12.213 0.797 6.826 1.00 1.00 H new ATOM 0 HB3 LEU A 96 -11.395 0.077 5.454 1.00 1.00 H new ATOM 0 HG LEU A 96 -13.848 -0.868 6.918 1.00 1.00 H new ATOM 0 HD11 LEU A 96 -14.530 -1.438 4.603 1.00 1.00 H new ATOM 0 HD12 LEU A 96 -13.988 0.253 4.711 1.00 1.00 H new ATOM 0 HD13 LEU A 96 -12.914 -0.983 4.015 1.00 1.00 H new ATOM 0 HD21 LEU A 96 -13.501 -3.177 6.076 1.00 1.00 H new ATOM 0 HD22 LEU A 96 -11.885 -2.719 5.488 1.00 1.00 H new ATOM 0 HD23 LEU A 96 -12.229 -2.722 7.234 1.00 1.00 H new ATOM 1537 N LYS A 97 -9.984 -0.275 9.525 1.00 1.00 N ATOM 1538 CA LYS A 97 -9.416 0.663 10.535 1.00 1.00 C ATOM 1539 C LYS A 97 -8.219 1.411 9.940 1.00 1.00 C ATOM 1540 O LYS A 97 -8.225 2.623 9.851 1.00 1.00 O ATOM 1541 CB LYS A 97 -8.970 -0.226 11.696 1.00 1.00 C ATOM 1542 CG LYS A 97 -10.007 -0.161 12.818 1.00 1.00 C ATOM 1543 CD LYS A 97 -10.068 -1.509 13.538 1.00 1.00 C ATOM 1544 CE LYS A 97 -9.497 -1.361 14.950 1.00 1.00 C ATOM 1545 NZ LYS A 97 -8.246 -0.572 14.776 1.00 1.00 N ATOM 0 H LYS A 97 -10.074 -1.243 9.832 1.00 1.00 H new ATOM 0 HA LYS A 97 -10.137 1.415 10.854 1.00 1.00 H new ATOM 0 HB2 LYS A 97 -8.852 -1.255 11.355 1.00 1.00 H new ATOM 0 HB3 LYS A 97 -7.998 0.101 12.066 1.00 1.00 H new ATOM 0 HG2 LYS A 97 -9.746 0.628 13.523 1.00 1.00 H new ATOM 0 HG3 LYS A 97 -10.986 0.089 12.408 1.00 1.00 H new ATOM 0 HD2 LYS A 97 -11.098 -1.861 13.586 1.00 1.00 H new ATOM 0 HD3 LYS A 97 -9.502 -2.256 12.982 1.00 1.00 H new ATOM 0 HE2 LYS A 97 -10.199 -0.849 15.608 1.00 1.00 H new ATOM 0 HE3 LYS A 97 -9.292 -2.334 15.397 1.00 1.00 H new ATOM 0 HZ1 LYS A 97 -7.595 -0.775 15.561 1.00 1.00 H new ATOM 0 HZ2 LYS A 97 -7.794 -0.832 13.876 1.00 1.00 H new ATOM 0 HZ3 LYS A 97 -8.474 0.443 14.769 1.00 1.00 H new ATOM 1558 N PRO A 98 -7.231 0.655 9.543 1.00 1.00 N ATOM 1559 CA PRO A 98 -6.014 1.249 8.941 1.00 1.00 C ATOM 1560 C PRO A 98 -6.370 1.932 7.618 1.00 1.00 C ATOM 1561 O PRO A 98 -6.179 3.121 7.449 1.00 1.00 O ATOM 1562 CB PRO A 98 -5.088 0.053 8.701 1.00 1.00 C ATOM 1563 CG PRO A 98 -5.689 -1.092 9.459 1.00 1.00 C ATOM 1564 CD PRO A 98 -7.156 -0.803 9.620 1.00 1.00 C ATOM 0 HA PRO A 98 -5.552 2.006 9.574 1.00 1.00 H new ATOM 0 HB2 PRO A 98 -5.016 -0.178 7.638 1.00 1.00 H new ATOM 0 HB3 PRO A 98 -4.078 0.265 9.051 1.00 1.00 H new ATOM 0 HG2 PRO A 98 -5.539 -2.029 8.922 1.00 1.00 H new ATOM 0 HG3 PRO A 98 -5.210 -1.202 10.432 1.00 1.00 H new ATOM 0 HD2 PRO A 98 -7.746 -1.277 8.835 1.00 1.00 H new ATOM 0 HD3 PRO A 98 -7.535 -1.174 10.572 1.00 1.00 H new ATOM 1572 N LEU A 99 -6.896 1.189 6.683 1.00 1.00 N ATOM 1573 CA LEU A 99 -7.275 1.798 5.377 1.00 1.00 C ATOM 1574 C LEU A 99 -8.056 3.090 5.617 1.00 1.00 C ATOM 1575 O LEU A 99 -7.803 4.107 5.002 1.00 1.00 O ATOM 1576 CB LEU A 99 -8.157 0.754 4.690 1.00 1.00 C ATOM 1577 CG LEU A 99 -8.648 1.302 3.350 1.00 1.00 C ATOM 1578 CD1 LEU A 99 -9.073 0.141 2.448 1.00 1.00 C ATOM 1579 CD2 LEU A 99 -9.843 2.228 3.584 1.00 1.00 C ATOM 0 H LEU A 99 -7.079 0.189 6.767 1.00 1.00 H new ATOM 0 HA LEU A 99 -6.408 2.054 4.769 1.00 1.00 H new ATOM 0 HB2 LEU A 99 -7.595 -0.167 4.534 1.00 1.00 H new ATOM 0 HB3 LEU A 99 -9.006 0.505 5.326 1.00 1.00 H new ATOM 0 HG LEU A 99 -7.844 1.860 2.870 1.00 1.00 H new ATOM 0 HD11 LEU A 99 -9.423 0.532 1.493 1.00 1.00 H new ATOM 0 HD12 LEU A 99 -8.222 -0.520 2.280 1.00 1.00 H new ATOM 0 HD13 LEU A 99 -9.877 -0.417 2.928 1.00 1.00 H new ATOM 0 HD21 LEU A 99 -10.193 2.619 2.629 1.00 1.00 H new ATOM 0 HD22 LEU A 99 -10.647 1.670 4.064 1.00 1.00 H new ATOM 0 HD23 LEU A 99 -9.542 3.056 4.226 1.00 1.00 H new ATOM 1591 N PHE A 100 -9.002 3.061 6.517 1.00 1.00 N ATOM 1592 CA PHE A 100 -9.795 4.289 6.806 1.00 1.00 C ATOM 1593 C PHE A 100 -8.862 5.409 7.272 1.00 1.00 C ATOM 1594 O PHE A 100 -8.978 6.543 6.852 1.00 1.00 O ATOM 1595 CB PHE A 100 -10.761 3.889 7.921 1.00 1.00 C ATOM 1596 CG PHE A 100 -12.057 3.410 7.312 1.00 1.00 C ATOM 1597 CD1 PHE A 100 -12.181 3.311 5.921 1.00 1.00 C ATOM 1598 CD2 PHE A 100 -13.134 3.067 8.138 1.00 1.00 C ATOM 1599 CE1 PHE A 100 -13.383 2.867 5.357 1.00 1.00 C ATOM 1600 CE2 PHE A 100 -14.336 2.624 7.573 1.00 1.00 C ATOM 1601 CZ PHE A 100 -14.460 2.524 6.183 1.00 1.00 C ATOM 0 H PHE A 100 -9.259 2.240 7.064 1.00 1.00 H new ATOM 0 HA PHE A 100 -10.327 4.658 5.929 1.00 1.00 H new ATOM 0 HB2 PHE A 100 -10.321 3.102 8.534 1.00 1.00 H new ATOM 0 HB3 PHE A 100 -10.947 4.738 8.578 1.00 1.00 H new ATOM 0 HD1 PHE A 100 -11.350 3.577 5.284 1.00 1.00 H new ATOM 0 HD2 PHE A 100 -13.038 3.144 9.211 1.00 1.00 H new ATOM 0 HE1 PHE A 100 -13.479 2.789 4.284 1.00 1.00 H new ATOM 0 HE2 PHE A 100 -15.167 2.360 8.210 1.00 1.00 H new ATOM 0 HZ PHE A 100 -15.387 2.182 5.747 1.00 1.00 H new ATOM 1611 N ASP A 101 -7.930 5.097 8.131 1.00 1.00 N ATOM 1612 CA ASP A 101 -6.983 6.144 8.613 1.00 1.00 C ATOM 1613 C ASP A 101 -6.196 6.706 7.428 1.00 1.00 C ATOM 1614 O ASP A 101 -5.712 7.820 7.461 1.00 1.00 O ATOM 1615 CB ASP A 101 -6.051 5.422 9.587 1.00 1.00 C ATOM 1616 CG ASP A 101 -4.965 4.684 8.802 1.00 1.00 C ATOM 1617 OD1 ASP A 101 -4.505 5.228 7.812 1.00 1.00 O ATOM 1618 OD2 ASP A 101 -4.613 3.587 9.203 1.00 1.00 O ATOM 0 H ASP A 101 -7.783 4.165 8.519 1.00 1.00 H new ATOM 0 HA ASP A 101 -7.491 6.981 9.092 1.00 1.00 H new ATOM 0 HB2 ASP A 101 -5.597 6.139 10.271 1.00 1.00 H new ATOM 0 HB3 ASP A 101 -6.618 4.717 10.195 1.00 1.00 H new ATOM 1623 N PHE A 102 -6.073 5.940 6.379 1.00 1.00 N ATOM 1624 CA PHE A 102 -5.326 6.417 5.181 1.00 1.00 C ATOM 1625 C PHE A 102 -5.240 5.298 4.140 1.00 1.00 C ATOM 1626 O PHE A 102 -4.595 4.291 4.353 1.00 1.00 O ATOM 1627 CB PHE A 102 -3.934 6.779 5.699 1.00 1.00 C ATOM 1628 CG PHE A 102 -3.495 8.090 5.094 1.00 1.00 C ATOM 1629 CD1 PHE A 102 -4.028 9.294 5.568 1.00 1.00 C ATOM 1630 CD2 PHE A 102 -2.553 8.102 4.058 1.00 1.00 C ATOM 1631 CE1 PHE A 102 -3.619 10.510 5.008 1.00 1.00 C ATOM 1632 CE2 PHE A 102 -2.143 9.318 3.497 1.00 1.00 C ATOM 1633 CZ PHE A 102 -2.677 10.522 3.973 1.00 1.00 C ATOM 0 H PHE A 102 -6.460 5.000 6.300 1.00 1.00 H new ATOM 0 HA PHE A 102 -5.811 7.266 4.699 1.00 1.00 H new ATOM 0 HB2 PHE A 102 -3.948 6.855 6.786 1.00 1.00 H new ATOM 0 HB3 PHE A 102 -3.224 5.993 5.443 1.00 1.00 H new ATOM 0 HD1 PHE A 102 -4.755 9.285 6.366 1.00 1.00 H new ATOM 0 HD2 PHE A 102 -2.142 7.173 3.691 1.00 1.00 H new ATOM 0 HE1 PHE A 102 -4.030 11.439 5.375 1.00 1.00 H new ATOM 0 HE2 PHE A 102 -1.416 9.327 2.698 1.00 1.00 H new ATOM 0 HZ PHE A 102 -2.362 11.460 3.541 1.00 1.00 H new ATOM 1643 N THR A 103 -5.883 5.466 3.017 1.00 1.00 N ATOM 1644 CA THR A 103 -5.832 4.409 1.967 1.00 1.00 C ATOM 1645 C THR A 103 -5.743 5.045 0.579 1.00 1.00 C ATOM 1646 O THR A 103 -5.832 4.376 -0.431 1.00 1.00 O ATOM 1647 CB THR A 103 -7.141 3.632 2.120 1.00 1.00 C ATOM 1648 OG1 THR A 103 -7.050 2.410 1.402 1.00 1.00 O ATOM 1649 CG2 THR A 103 -8.299 4.465 1.570 1.00 1.00 C ATOM 0 H THR A 103 -6.440 6.287 2.781 1.00 1.00 H new ATOM 0 HA THR A 103 -4.961 3.763 2.075 1.00 1.00 H new ATOM 0 HB THR A 103 -7.318 3.422 3.175 1.00 1.00 H new ATOM 0 HG1 THR A 103 -6.360 2.487 0.711 1.00 1.00 H new ATOM 0 HG21 THR A 103 -9.231 3.910 1.680 1.00 1.00 H new ATOM 0 HG22 THR A 103 -8.368 5.402 2.122 1.00 1.00 H new ATOM 0 HG23 THR A 103 -8.125 4.678 0.515 1.00 1.00 H new ATOM 1657 N GLN A 104 -5.570 6.335 0.522 1.00 1.00 N ATOM 1658 CA GLN A 104 -5.477 7.019 -0.800 1.00 1.00 C ATOM 1659 C GLN A 104 -4.045 7.495 -1.055 1.00 1.00 C ATOM 1660 O GLN A 104 -3.246 7.605 -0.146 1.00 1.00 O ATOM 1661 CB GLN A 104 -6.428 8.211 -0.697 1.00 1.00 C ATOM 1662 CG GLN A 104 -6.067 9.247 -1.763 1.00 1.00 C ATOM 1663 CD GLN A 104 -5.985 10.632 -1.120 1.00 1.00 C ATOM 1664 OE1 GLN A 104 -6.061 11.636 -1.800 1.00 1.00 O ATOM 1665 NE2 GLN A 104 -5.831 10.732 0.172 1.00 1.00 N ATOM 0 H GLN A 104 -5.489 6.947 1.334 1.00 1.00 H new ATOM 0 HA GLN A 104 -5.740 6.357 -1.625 1.00 1.00 H new ATOM 0 HB2 GLN A 104 -7.458 7.880 -0.831 1.00 1.00 H new ATOM 0 HB3 GLN A 104 -6.363 8.657 0.295 1.00 1.00 H new ATOM 0 HG2 GLN A 104 -5.113 8.992 -2.225 1.00 1.00 H new ATOM 0 HG3 GLN A 104 -6.816 9.246 -2.555 1.00 1.00 H new ATOM 0 HE21 GLN A 104 -5.767 9.890 0.745 1.00 1.00 H new ATOM 0 HE22 GLN A 104 -5.775 11.652 0.609 1.00 1.00 H new ATOM 1674 N THR A 105 -3.716 7.782 -2.284 1.00 1.00 N ATOM 1675 CA THR A 105 -2.337 8.257 -2.595 1.00 1.00 C ATOM 1676 C THR A 105 -2.283 9.785 -2.543 1.00 1.00 C ATOM 1677 O THR A 105 -3.286 10.455 -2.695 1.00 1.00 O ATOM 1678 CB THR A 105 -2.056 7.757 -4.013 1.00 1.00 C ATOM 1679 OG1 THR A 105 -0.934 8.448 -4.544 1.00 1.00 O ATOM 1680 CG2 THR A 105 -3.278 8.008 -4.897 1.00 1.00 C ATOM 0 H THR A 105 -4.341 7.708 -3.086 1.00 1.00 H new ATOM 0 HA THR A 105 -1.601 7.888 -1.881 1.00 1.00 H new ATOM 0 HB THR A 105 -1.845 6.688 -3.986 1.00 1.00 H new ATOM 0 HG1 THR A 105 -1.022 8.516 -5.518 1.00 1.00 H new ATOM 0 HG21 THR A 105 -3.076 7.651 -5.907 1.00 1.00 H new ATOM 0 HG22 THR A 105 -4.137 7.476 -4.489 1.00 1.00 H new ATOM 0 HG23 THR A 105 -3.493 9.076 -4.926 1.00 1.00 H new ATOM 1688 N ASP A 106 -1.123 10.343 -2.332 1.00 1.00 N ATOM 1689 CA ASP A 106 -1.011 11.829 -2.271 1.00 1.00 C ATOM 1690 C ASP A 106 -0.755 12.398 -3.669 1.00 1.00 C ATOM 1691 O ASP A 106 -0.769 13.596 -3.874 1.00 1.00 O ATOM 1692 CB ASP A 106 0.182 12.100 -1.355 1.00 1.00 C ATOM 1693 CG ASP A 106 0.760 10.771 -0.863 1.00 1.00 C ATOM 1694 OD1 ASP A 106 0.111 9.756 -1.058 1.00 1.00 O ATOM 1695 OD2 ASP A 106 1.843 10.789 -0.301 1.00 1.00 O ATOM 0 H ASP A 106 -0.248 9.836 -2.199 1.00 1.00 H new ATOM 0 HA ASP A 106 -1.923 12.297 -1.900 1.00 1.00 H new ATOM 0 HB2 ASP A 106 0.945 12.664 -1.891 1.00 1.00 H new ATOM 0 HB3 ASP A 106 -0.128 12.710 -0.507 1.00 1.00 H new ATOM 1700 N GLY A 107 -0.519 11.549 -4.631 1.00 1.00 N ATOM 1701 CA GLY A 107 -0.259 12.041 -6.013 1.00 1.00 C ATOM 1702 C GLY A 107 1.236 12.313 -6.184 1.00 1.00 C ATOM 1703 O GLY A 107 1.725 12.480 -7.284 1.00 1.00 O ATOM 0 H GLY A 107 -0.495 10.535 -4.520 1.00 1.00 H new ATOM 0 HA2 GLY A 107 -0.591 11.302 -6.742 1.00 1.00 H new ATOM 0 HA3 GLY A 107 -0.829 12.951 -6.200 1.00 1.00 H new ATOM 1707 N SER A 108 1.966 12.357 -5.104 1.00 1.00 N ATOM 1708 CA SER A 108 3.431 12.616 -5.203 1.00 1.00 C ATOM 1709 C SER A 108 4.159 11.352 -5.667 1.00 1.00 C ATOM 1710 O SER A 108 3.593 10.278 -5.706 1.00 1.00 O ATOM 1711 CB SER A 108 3.862 12.995 -3.787 1.00 1.00 C ATOM 1712 OG SER A 108 5.069 13.745 -3.849 1.00 1.00 O ATOM 0 H SER A 108 1.612 12.225 -4.157 1.00 1.00 H new ATOM 0 HA SER A 108 3.666 13.400 -5.923 1.00 1.00 H new ATOM 0 HB2 SER A 108 3.081 13.580 -3.301 1.00 1.00 H new ATOM 0 HB3 SER A 108 4.008 12.097 -3.186 1.00 1.00 H new ATOM 0 HG SER A 108 5.348 13.992 -2.942 1.00 1.00 H new ATOM 1718 N ALA A 109 5.410 11.471 -6.018 1.00 1.00 N ATOM 1719 CA ALA A 109 6.170 10.274 -6.478 1.00 1.00 C ATOM 1720 C ALA A 109 5.627 9.012 -5.802 1.00 1.00 C ATOM 1721 O ALA A 109 4.846 9.081 -4.874 1.00 1.00 O ATOM 1722 CB ALA A 109 7.615 10.533 -6.051 1.00 1.00 C ATOM 0 H ALA A 109 5.938 12.344 -6.006 1.00 1.00 H new ATOM 0 HA ALA A 109 6.086 10.119 -7.554 1.00 1.00 H new ATOM 0 HB1 ALA A 109 8.240 9.693 -6.355 1.00 1.00 H new ATOM 0 HB2 ALA A 109 7.977 11.445 -6.526 1.00 1.00 H new ATOM 0 HB3 ALA A 109 7.660 10.645 -4.968 1.00 1.00 H new ATOM 1728 N SER A 110 6.035 7.860 -6.260 1.00 1.00 N ATOM 1729 CA SER A 110 5.540 6.596 -5.643 1.00 1.00 C ATOM 1730 C SER A 110 6.245 6.346 -4.307 1.00 1.00 C ATOM 1731 O SER A 110 7.341 5.823 -4.271 1.00 1.00 O ATOM 1732 CB SER A 110 5.892 5.501 -6.649 1.00 1.00 C ATOM 1733 OG SER A 110 5.137 5.694 -7.838 1.00 1.00 O ATOM 0 H SER A 110 6.689 7.739 -7.034 1.00 1.00 H new ATOM 0 HA SER A 110 4.471 6.630 -5.434 1.00 1.00 H new ATOM 0 HB2 SER A 110 6.958 5.527 -6.874 1.00 1.00 H new ATOM 0 HB3 SER A 110 5.679 4.520 -6.225 1.00 1.00 H new ATOM 0 HG SER A 110 4.290 5.206 -7.770 1.00 1.00 H new ATOM 1739 N PRO A 111 5.584 6.732 -3.250 1.00 1.00 N ATOM 1740 CA PRO A 111 6.151 6.551 -1.890 1.00 1.00 C ATOM 1741 C PRO A 111 6.246 5.062 -1.548 1.00 1.00 C ATOM 1742 O PRO A 111 5.702 4.228 -2.245 1.00 1.00 O ATOM 1743 CB PRO A 111 5.148 7.253 -0.974 1.00 1.00 C ATOM 1744 CG PRO A 111 3.883 7.356 -1.768 1.00 1.00 C ATOM 1745 CD PRO A 111 4.265 7.368 -3.224 1.00 1.00 C ATOM 0 HA PRO A 111 7.159 6.955 -1.793 1.00 1.00 H new ATOM 0 HB2 PRO A 111 4.990 6.685 -0.057 1.00 1.00 H new ATOM 0 HB3 PRO A 111 5.508 8.239 -0.681 1.00 1.00 H new ATOM 0 HG2 PRO A 111 3.224 6.515 -1.551 1.00 1.00 H new ATOM 0 HG3 PRO A 111 3.339 8.263 -1.507 1.00 1.00 H new ATOM 0 HD2 PRO A 111 3.545 6.818 -3.830 1.00 1.00 H new ATOM 0 HD3 PRO A 111 4.304 8.384 -3.618 1.00 1.00 H new ATOM 1753 N PRO A 112 6.939 4.779 -0.479 1.00 1.00 N ATOM 1754 CA PRO A 112 7.112 3.375 -0.033 1.00 1.00 C ATOM 1755 C PRO A 112 5.764 2.782 0.390 1.00 1.00 C ATOM 1756 O PRO A 112 4.847 3.503 0.729 1.00 1.00 O ATOM 1757 CB PRO A 112 8.056 3.478 1.164 1.00 1.00 C ATOM 1758 CG PRO A 112 7.997 4.908 1.604 1.00 1.00 C ATOM 1759 CD PRO A 112 7.619 5.732 0.402 1.00 1.00 C ATOM 0 HA PRO A 112 7.503 2.727 -0.817 1.00 1.00 H new ATOM 0 HB2 PRO A 112 7.746 2.808 1.966 1.00 1.00 H new ATOM 0 HB3 PRO A 112 9.072 3.195 0.887 1.00 1.00 H new ATOM 0 HG2 PRO A 112 7.265 5.034 2.402 1.00 1.00 H new ATOM 0 HG3 PRO A 112 8.960 5.228 2.001 1.00 1.00 H new ATOM 0 HD2 PRO A 112 6.965 6.560 0.675 1.00 1.00 H new ATOM 0 HD3 PRO A 112 8.497 6.164 -0.078 1.00 1.00 H new ATOM 1767 N PRO A 113 5.694 1.480 0.353 1.00 1.00 N ATOM 1768 CA PRO A 113 4.446 0.774 0.736 1.00 1.00 C ATOM 1769 C PRO A 113 4.030 1.161 2.157 1.00 1.00 C ATOM 1770 O PRO A 113 3.748 2.309 2.441 1.00 1.00 O ATOM 1771 CB PRO A 113 4.821 -0.707 0.665 1.00 1.00 C ATOM 1772 CG PRO A 113 6.056 -0.769 -0.179 1.00 1.00 C ATOM 1773 CD PRO A 113 6.757 0.555 -0.046 1.00 1.00 C ATOM 0 HA PRO A 113 3.604 1.022 0.090 1.00 1.00 H new ATOM 0 HB2 PRO A 113 5.005 -1.113 1.660 1.00 1.00 H new ATOM 0 HB3 PRO A 113 4.015 -1.295 0.225 1.00 1.00 H new ATOM 0 HG2 PRO A 113 6.705 -1.582 0.148 1.00 1.00 H new ATOM 0 HG3 PRO A 113 5.800 -0.965 -1.220 1.00 1.00 H new ATOM 0 HD2 PRO A 113 7.551 0.513 0.700 1.00 1.00 H new ATOM 0 HD3 PRO A 113 7.218 0.859 -0.986 1.00 1.00 H new ATOM 1781 N ALA A 114 3.989 0.214 3.054 1.00 1.00 N ATOM 1782 CA ALA A 114 3.591 0.530 4.456 1.00 1.00 C ATOM 1783 C ALA A 114 4.340 1.769 4.952 1.00 1.00 C ATOM 1784 O ALA A 114 5.507 1.699 5.283 1.00 1.00 O ATOM 1785 CB ALA A 114 3.993 -0.701 5.268 1.00 1.00 C ATOM 0 H ALA A 114 4.214 -0.765 2.877 1.00 1.00 H new ATOM 0 HA ALA A 114 2.526 0.747 4.545 1.00 1.00 H new ATOM 0 HB1 ALA A 114 3.732 -0.547 6.315 1.00 1.00 H new ATOM 0 HB2 ALA A 114 3.466 -1.576 4.888 1.00 1.00 H new ATOM 0 HB3 ALA A 114 5.068 -0.859 5.181 1.00 1.00 H new ATOM 1791 N PRO A 115 3.636 2.868 4.986 1.00 1.00 N ATOM 1792 CA PRO A 115 4.238 4.144 5.447 1.00 1.00 C ATOM 1793 C PRO A 115 4.614 4.051 6.929 1.00 1.00 C ATOM 1794 O PRO A 115 3.990 3.343 7.694 1.00 1.00 O ATOM 1795 CB PRO A 115 3.131 5.177 5.233 1.00 1.00 C ATOM 1796 CG PRO A 115 1.864 4.391 5.109 1.00 1.00 C ATOM 1797 CD PRO A 115 2.231 3.022 4.602 1.00 1.00 C ATOM 0 HA PRO A 115 5.153 4.397 4.912 1.00 1.00 H new ATOM 0 HB2 PRO A 115 3.079 5.874 6.069 1.00 1.00 H new ATOM 0 HB3 PRO A 115 3.315 5.768 4.336 1.00 1.00 H new ATOM 0 HG2 PRO A 115 1.360 4.321 6.073 1.00 1.00 H new ATOM 0 HG3 PRO A 115 1.173 4.882 4.423 1.00 1.00 H new ATOM 0 HD2 PRO A 115 1.607 2.249 5.051 1.00 1.00 H new ATOM 0 HD3 PRO A 115 2.102 2.948 3.522 1.00 1.00 H new ATOM 1805 N LYS A 116 5.630 4.760 7.338 1.00 1.00 N ATOM 1806 CA LYS A 116 6.045 4.713 8.769 1.00 1.00 C ATOM 1807 C LYS A 116 4.976 5.363 9.652 1.00 1.00 C ATOM 1808 O LYS A 116 4.223 6.208 9.210 1.00 1.00 O ATOM 1809 CB LYS A 116 7.349 5.508 8.831 1.00 1.00 C ATOM 1810 CG LYS A 116 8.031 5.477 7.461 1.00 1.00 C ATOM 1811 CD LYS A 116 9.513 5.140 7.636 1.00 1.00 C ATOM 1812 CE LYS A 116 10.026 5.758 8.940 1.00 1.00 C ATOM 1813 NZ LYS A 116 10.935 6.858 8.513 1.00 1.00 N ATOM 0 H LYS A 116 6.191 5.370 6.743 1.00 1.00 H new ATOM 0 HA LYS A 116 6.174 3.692 9.128 1.00 1.00 H new ATOM 0 HB2 LYS A 116 7.146 6.538 9.125 1.00 1.00 H new ATOM 0 HB3 LYS A 116 8.010 5.085 9.588 1.00 1.00 H new ATOM 0 HG2 LYS A 116 7.552 4.736 6.821 1.00 1.00 H new ATOM 0 HG3 LYS A 116 7.923 6.443 6.967 1.00 1.00 H new ATOM 0 HD2 LYS A 116 9.652 4.059 7.654 1.00 1.00 H new ATOM 0 HD3 LYS A 116 10.086 5.521 6.790 1.00 1.00 H new ATOM 0 HE2 LYS A 116 9.204 6.138 9.547 1.00 1.00 H new ATOM 0 HE3 LYS A 116 10.555 5.021 9.545 1.00 1.00 H new ATOM 0 HZ1 LYS A 116 11.327 7.330 9.353 1.00 1.00 H new ATOM 0 HZ2 LYS A 116 11.711 6.465 7.943 1.00 1.00 H new ATOM 0 HZ3 LYS A 116 10.403 7.547 7.945 1.00 1.00 H new ATOM 1826 N HIS A 117 4.906 4.978 10.896 1.00 1.00 N ATOM 1827 CA HIS A 117 3.886 5.576 11.806 1.00 1.00 C ATOM 1828 C HIS A 117 4.329 6.971 12.253 1.00 1.00 C ATOM 1829 O HIS A 117 5.469 7.184 12.614 1.00 1.00 O ATOM 1830 CB HIS A 117 3.817 4.626 13.002 1.00 1.00 C ATOM 1831 CG HIS A 117 2.768 5.109 13.966 1.00 1.00 C ATOM 1832 ND1 HIS A 117 1.918 4.239 14.630 1.00 1.00 N ATOM 1833 CD2 HIS A 117 2.422 6.368 14.388 1.00 1.00 C ATOM 1834 CE1 HIS A 117 1.108 4.980 15.408 1.00 1.00 C ATOM 1835 NE2 HIS A 117 1.372 6.284 15.299 1.00 1.00 N ATOM 0 H HIS A 117 5.510 4.276 11.323 1.00 1.00 H new ATOM 0 HA HIS A 117 2.917 5.692 11.321 1.00 1.00 H new ATOM 0 HB2 HIS A 117 3.580 3.617 12.665 1.00 1.00 H new ATOM 0 HB3 HIS A 117 4.787 4.577 13.498 1.00 1.00 H new ATOM 0 HD2 HIS A 117 2.892 7.284 14.063 1.00 1.00 H new ATOM 0 HE1 HIS A 117 0.337 4.569 16.044 1.00 1.00 H new ATOM 0 HE2 HIS A 117 0.905 7.053 15.779 1.00 1.00 H new ATOM 1843 N HIS A 118 3.436 7.922 12.232 1.00 1.00 N ATOM 1844 CA HIS A 118 3.807 9.302 12.657 1.00 1.00 C ATOM 1845 C HIS A 118 4.076 9.338 14.164 1.00 1.00 C ATOM 1846 O HIS A 118 3.562 8.533 14.915 1.00 1.00 O ATOM 1847 CB HIS A 118 2.592 10.164 12.308 1.00 1.00 C ATOM 1848 CG HIS A 118 3.003 11.245 11.346 1.00 1.00 C ATOM 1849 ND1 HIS A 118 2.080 12.073 10.727 1.00 1.00 N ATOM 1850 CD2 HIS A 118 4.234 11.646 10.888 1.00 1.00 C ATOM 1851 CE1 HIS A 118 2.763 12.922 9.938 1.00 1.00 C ATOM 1852 NE2 HIS A 118 4.080 12.706 9.999 1.00 1.00 N ATOM 0 H HIS A 118 2.466 7.804 11.939 1.00 1.00 H new ATOM 0 HA HIS A 118 4.713 9.656 12.165 1.00 1.00 H new ATOM 0 HB2 HIS A 118 1.810 9.547 11.866 1.00 1.00 H new ATOM 0 HB3 HIS A 118 2.175 10.607 13.213 1.00 1.00 H new ATOM 0 HD2 HIS A 118 5.178 11.206 11.174 1.00 1.00 H new ATOM 0 HE1 HIS A 118 2.302 13.686 9.329 1.00 1.00 H new ATOM 0 HE2 HIS A 118 4.814 13.209 9.501 1.00 1.00 H new ATOM 1860 N HIS A 119 4.877 10.266 14.611 1.00 1.00 N ATOM 1861 CA HIS A 119 5.177 10.352 16.070 1.00 1.00 C ATOM 1862 C HIS A 119 3.971 10.916 16.826 1.00 1.00 C ATOM 1863 O HIS A 119 3.162 11.637 16.274 1.00 1.00 O ATOM 1864 CB HIS A 119 6.369 11.305 16.173 1.00 1.00 C ATOM 1865 CG HIS A 119 7.632 10.509 16.357 1.00 1.00 C ATOM 1866 ND1 HIS A 119 7.618 9.136 16.551 1.00 1.00 N ATOM 1867 CD2 HIS A 119 8.953 10.879 16.379 1.00 1.00 C ATOM 1868 CE1 HIS A 119 8.895 8.733 16.679 1.00 1.00 C ATOM 1869 NE2 HIS A 119 9.751 9.756 16.582 1.00 1.00 N ATOM 0 H HIS A 119 5.337 10.968 14.031 1.00 1.00 H new ATOM 0 HA HIS A 119 5.396 9.377 16.505 1.00 1.00 H new ATOM 0 HB2 HIS A 119 6.439 11.916 15.273 1.00 1.00 H new ATOM 0 HB3 HIS A 119 6.231 11.988 17.011 1.00 1.00 H new ATOM 0 HD2 HIS A 119 9.318 11.888 16.257 1.00 1.00 H new ATOM 0 HE1 HIS A 119 9.193 7.708 16.841 1.00 1.00 H new ATOM 0 HE2 HIS A 119 10.769 9.721 16.643 1.00 1.00 H new ATOM 1877 N ALA A 120 3.843 10.593 18.084 1.00 1.00 N ATOM 1878 CA ALA A 120 2.688 11.112 18.872 1.00 1.00 C ATOM 1879 C ALA A 120 2.257 12.480 18.339 1.00 1.00 C ATOM 1880 O ALA A 120 2.949 13.098 17.554 1.00 1.00 O ATOM 1881 CB ALA A 120 3.209 11.234 20.305 1.00 1.00 C ATOM 0 H ALA A 120 4.487 9.993 18.600 1.00 1.00 H new ATOM 0 HA ALA A 120 1.818 10.459 18.809 1.00 1.00 H new ATOM 0 HB1 ALA A 120 2.415 11.611 20.950 1.00 1.00 H new ATOM 0 HB2 ALA A 120 3.530 10.255 20.660 1.00 1.00 H new ATOM 0 HB3 ALA A 120 4.053 11.923 20.328 1.00 1.00 H new ATOM 1887 N SER A 121 1.118 12.959 18.759 1.00 1.00 N ATOM 1888 CA SER A 121 0.644 14.288 18.274 1.00 1.00 C ATOM 1889 C SER A 121 0.964 15.373 19.304 1.00 1.00 C ATOM 1890 O SER A 121 0.145 15.715 20.134 1.00 1.00 O ATOM 1891 CB SER A 121 -0.866 14.133 18.110 1.00 1.00 C ATOM 1892 OG SER A 121 -1.240 14.535 16.799 1.00 1.00 O ATOM 0 H SER A 121 0.495 12.489 19.416 1.00 1.00 H new ATOM 0 HA SER A 121 1.127 14.584 17.343 1.00 1.00 H new ATOM 0 HB2 SER A 121 -1.158 13.097 18.282 1.00 1.00 H new ATOM 0 HB3 SER A 121 -1.388 14.738 18.851 1.00 1.00 H new ATOM 0 HG SER A 121 -2.209 14.435 16.690 1.00 1.00 H new ATOM 1898 N LYS A 122 2.149 15.918 19.258 1.00 1.00 N ATOM 1899 CA LYS A 122 2.519 16.983 20.235 1.00 1.00 C ATOM 1900 C LYS A 122 2.082 18.354 19.713 1.00 1.00 C ATOM 1901 O LYS A 122 2.788 18.994 18.958 1.00 1.00 O ATOM 1902 CB LYS A 122 4.042 16.909 20.344 1.00 1.00 C ATOM 1903 CG LYS A 122 4.516 17.808 21.487 1.00 1.00 C ATOM 1904 CD LYS A 122 5.518 17.044 22.356 1.00 1.00 C ATOM 1905 CE LYS A 122 5.684 17.764 23.696 1.00 1.00 C ATOM 1906 NZ LYS A 122 4.666 18.850 23.679 1.00 1.00 N ATOM 0 H LYS A 122 2.877 15.673 18.587 1.00 1.00 H new ATOM 0 HA LYS A 122 2.035 16.844 21.202 1.00 1.00 H new ATOM 0 HB2 LYS A 122 4.355 15.880 20.523 1.00 1.00 H new ATOM 0 HB3 LYS A 122 4.500 17.223 19.406 1.00 1.00 H new ATOM 0 HG2 LYS A 122 4.979 18.710 21.086 1.00 1.00 H new ATOM 0 HG3 LYS A 122 3.665 18.127 22.089 1.00 1.00 H new ATOM 0 HD2 LYS A 122 5.170 16.024 22.520 1.00 1.00 H new ATOM 0 HD3 LYS A 122 6.479 16.975 21.847 1.00 1.00 H new ATOM 0 HE2 LYS A 122 5.522 17.084 24.532 1.00 1.00 H new ATOM 0 HE3 LYS A 122 6.690 18.168 23.805 1.00 1.00 H new ATOM 0 HZ1 LYS A 122 4.696 19.368 24.581 1.00 1.00 H new ATOM 0 HZ2 LYS A 122 4.870 19.505 22.897 1.00 1.00 H new ATOM 0 HZ3 LYS A 122 3.720 18.437 23.548 1.00 1.00 H new ATOM 1919 N VAL A 123 0.925 18.809 20.107 1.00 1.00 N ATOM 1920 CA VAL A 123 0.446 20.138 19.632 1.00 1.00 C ATOM 1921 C VAL A 123 1.298 21.257 20.240 1.00 1.00 C ATOM 1922 O VAL A 123 1.749 21.165 21.364 1.00 1.00 O ATOM 1923 CB VAL A 123 -0.998 20.237 20.124 1.00 1.00 C ATOM 1924 CG1 VAL A 123 -1.010 20.640 21.600 1.00 1.00 C ATOM 1925 CG2 VAL A 123 -1.744 21.292 19.302 1.00 1.00 C ATOM 0 H VAL A 123 0.290 18.318 20.737 1.00 1.00 H new ATOM 0 HA VAL A 123 0.516 20.239 18.549 1.00 1.00 H new ATOM 0 HB VAL A 123 -1.488 19.270 20.008 1.00 1.00 H new ATOM 0 HG11 VAL A 123 -2.040 20.710 21.950 1.00 1.00 H new ATOM 0 HG12 VAL A 123 -0.478 19.891 22.186 1.00 1.00 H new ATOM 0 HG13 VAL A 123 -0.520 21.607 21.717 1.00 1.00 H new ATOM 0 HG21 VAL A 123 -2.774 21.364 19.651 1.00 1.00 H new ATOM 0 HG22 VAL A 123 -1.253 22.258 19.418 1.00 1.00 H new ATOM 0 HG23 VAL A 123 -1.737 21.006 18.250 1.00 1.00 H new ATOM 1935 N ASP A 124 1.521 22.311 19.505 1.00 1.00 N ATOM 1936 CA ASP A 124 2.343 23.434 20.040 1.00 1.00 C ATOM 1937 C ASP A 124 1.625 24.101 21.217 1.00 1.00 C ATOM 1938 O ASP A 124 2.178 24.092 22.304 1.00 1.00 O ATOM 1939 CB ASP A 124 2.485 24.412 18.874 1.00 1.00 C ATOM 1940 CG ASP A 124 2.767 25.815 19.415 1.00 1.00 C ATOM 1941 OD1 ASP A 124 3.261 25.911 20.527 1.00 1.00 O ATOM 1942 OD2 ASP A 124 2.486 26.769 18.709 1.00 1.00 O ATOM 0 H ASP A 124 1.170 22.444 18.557 1.00 1.00 H new ATOM 0 HA ASP A 124 3.312 23.097 20.409 1.00 1.00 H new ATOM 0 HB2 ASP A 124 3.294 24.095 18.216 1.00 1.00 H new ATOM 0 HB3 ASP A 124 1.573 24.418 18.277 1.00 1.00 H new TER 1947 ASP A 124