USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 877 hydrogens (5 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 93 TYR OH : rot 76:sc= -12.6! USER MOD Set 1.2: A 94 HIS : no HD1:sc= -43.7! C(o=-56!,f=-50!) USER MOD Set 2.1: A 92 GLN : amide:sc= -16.7! C(o=-23!,f=-22!) USER MOD Set 2.2: A 95 GLN : amide:sc= -6.53! C(o=-23!,f=-24!) USER MOD Set 3.1: A 62 LYS NZ :NH3+ 144:sc= 0.767 (180deg=-2.62!) USER MOD Set 3.2: A 64 TYR OH : rot -117:sc= -9.73! USER MOD Set 4.1: A 39 SER OG : rot 174:sc= -0.445! USER MOD Set 4.2: A 44 THR OG1 : rot -177:sc= -3.24! USER MOD Set 4.3: A 46 THR OG1 : rot 67:sc= -3.82! USER MOD Set 4.4: A 65 HIS : no HE2:sc= -19.7! C(o=-27!,f=-39!) USER MOD Set 5.1: A 13 ASN : amide:sc= -16! C(o=-45!,f=-43!) USER MOD Set 5.2: A 20 LYS NZ :NH3+ -175:sc= -3.26 (180deg=-3.41!) USER MOD Set 5.3: A 35 MET CE :methyl -168:sc= -26.2! (180deg=-24.2!) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 ASN : amide:sc= -10.4! C(o=-10!,f=-15!) USER MOD Single : A 8 THR OG1 : rot 21:sc= 1.03 USER MOD Single : A 9 TYR OH : rot 165:sc= -1.5 USER MOD Single : A 12 TYR OH : rot 165:sc= -0.228 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.247 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 35:sc= -0.99 USER MOD Single : A 30 LYS NZ :NH3+ 145:sc= -14.4! (180deg=-22!) USER MOD Single : A 41 THR OG1 : rot -173:sc= -8.3! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -152:sc= -8.13! USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -149:sc= -12! (180deg=-13.5!) USER MOD Single : A 56 SER OG : rot 180:sc= 0.112 USER MOD Single : A 58 ASN : amide:sc= -5.03! C(o=-5!,f=-9.2!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -26.1! C(o=-26!,f=-20!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -3.72! C(o=-3.7!,f=-3.3!) USER MOD Single : A 72 SER OG : rot 59:sc= 0.00169 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -54:sc= 0.616 USER MOD Single : A 77 TYR OH : rot 130:sc= -1.74! USER MOD Single : A 81 LYS NZ :NH3+ 132:sc= -12! (180deg=-17!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.15 X(o=-0.15,f=-0.19) USER MOD Single : A 103 THR OG1 : rot 62:sc= -4.86! USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot -44:sc= 0.519 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 3 -12.554 11.021 7.805 1.00 0.00 C HETATM 2 O ACE A 3 -11.917 10.909 8.852 1.00 0.00 O HETATM 3 CH3 ACE A 3 -13.411 12.235 7.549 1.00 0.00 C HETATM 0 H1 ACE A 3 -13.060 12.746 6.652 1.00 0.00 H new HETATM 0 H2 ACE A 3 -14.447 11.926 7.409 1.00 0.00 H new HETATM 0 H3 ACE A 3 -13.347 12.912 8.401 1.00 0.00 H new ATOM 7 N ASN A 4 -12.537 10.102 6.845 1.00 0.00 N ATOM 8 CA ASN A 4 -11.750 8.881 6.971 1.00 0.00 C ATOM 9 C ASN A 4 -10.257 9.187 6.917 1.00 0.00 C ATOM 10 O ASN A 4 -9.575 9.183 7.942 1.00 0.00 O ATOM 11 CB ASN A 4 -12.120 7.896 5.862 1.00 0.00 C ATOM 12 CG ASN A 4 -13.104 6.841 6.330 1.00 0.00 C ATOM 13 OD1 ASN A 4 -14.317 7.005 6.201 1.00 0.00 O ATOM 14 ND2 ASN A 4 -12.584 5.750 6.880 1.00 0.00 N ATOM 0 H ASN A 4 -13.059 10.180 5.972 1.00 0.00 H new ATOM 0 HA ASN A 4 -11.975 8.432 7.938 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -12.550 8.443 5.023 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -11.216 7.409 5.496 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -13.196 5.006 7.215 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -11.572 5.655 6.967 1.00 0.00 H new ATOM 21 N ASN A 5 -9.756 9.455 5.715 1.00 0.00 N ATOM 22 CA ASN A 5 -8.344 9.765 5.528 1.00 0.00 C ATOM 23 C ASN A 5 -7.462 8.718 6.204 1.00 0.00 C ATOM 24 O ASN A 5 -7.883 8.062 7.157 1.00 0.00 O ATOM 25 CB ASN A 5 -8.026 11.153 6.086 1.00 0.00 C ATOM 26 CG ASN A 5 -8.911 11.520 7.261 1.00 0.00 C ATOM 27 OD1 ASN A 5 -10.133 11.593 7.133 1.00 0.00 O ATOM 28 ND2 ASN A 5 -8.297 11.754 8.414 1.00 0.00 N ATOM 0 H ASN A 5 -10.307 9.464 4.857 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.135 9.755 4.458 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -6.982 11.186 6.397 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.148 11.895 5.297 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -8.841 12.006 9.239 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -7.281 11.682 8.475 1.00 0.00 H new ATOM 35 N LEU A 6 -6.240 8.570 5.705 1.00 0.00 N ATOM 36 CA LEU A 6 -5.299 7.603 6.263 1.00 0.00 C ATOM 37 C LEU A 6 -3.985 8.266 6.621 1.00 0.00 C ATOM 38 O LEU A 6 -2.997 7.590 6.905 1.00 0.00 O ATOM 39 CB LEU A 6 -5.026 6.481 5.267 1.00 0.00 C ATOM 40 CG LEU A 6 -5.738 6.614 3.933 1.00 0.00 C ATOM 41 CD1 LEU A 6 -4.831 6.131 2.817 1.00 0.00 C ATOM 42 CD2 LEU A 6 -7.034 5.829 3.962 1.00 0.00 C ATOM 0 H LEU A 6 -5.877 9.106 4.917 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.753 7.192 7.165 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.953 6.432 5.085 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.315 5.534 5.722 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.978 7.661 3.749 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.346 6.228 1.861 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.922 6.732 2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.573 5.085 2.985 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.541 5.928 3.002 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.818 4.778 4.152 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.676 6.216 4.753 1.00 0.00 H new ATOM 54 N GLU A 7 -3.970 9.586 6.592 1.00 0.00 N ATOM 55 CA GLU A 7 -2.758 10.329 6.901 1.00 0.00 C ATOM 56 C GLU A 7 -2.279 10.044 8.321 1.00 0.00 C ATOM 57 O GLU A 7 -1.889 10.957 9.050 1.00 0.00 O ATOM 58 CB GLU A 7 -2.982 11.830 6.710 1.00 0.00 C ATOM 59 CG GLU A 7 -4.440 12.210 6.514 1.00 0.00 C ATOM 60 CD GLU A 7 -4.661 13.710 6.549 1.00 0.00 C ATOM 61 OE1 GLU A 7 -4.627 14.289 7.654 1.00 0.00 O ATOM 62 OE2 GLU A 7 -4.869 14.304 5.470 1.00 0.00 O ATOM 0 H GLU A 7 -4.777 10.165 6.359 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.983 9.999 6.210 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.591 12.360 7.579 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.409 12.167 5.846 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.789 11.817 5.559 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.042 11.739 7.291 1.00 0.00 H new ATOM 69 N THR A 8 -2.308 8.773 8.705 1.00 0.00 N ATOM 70 CA THR A 8 -1.872 8.367 10.035 1.00 0.00 C ATOM 71 C THR A 8 -1.339 6.933 10.037 1.00 0.00 C ATOM 72 O THR A 8 -0.990 6.403 11.093 1.00 0.00 O ATOM 73 CB THR A 8 -3.027 8.493 11.029 1.00 0.00 C ATOM 74 OG1 THR A 8 -2.805 7.673 12.163 1.00 0.00 O ATOM 75 CG2 THR A 8 -4.368 8.111 10.442 1.00 0.00 C ATOM 0 H THR A 8 -2.629 8.006 8.114 1.00 0.00 H new ATOM 0 HA THR A 8 -1.060 9.030 10.335 1.00 0.00 H new ATOM 0 HB THR A 8 -3.057 9.547 11.303 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.849 7.470 12.238 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.143 8.223 11.201 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.593 8.760 9.595 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.336 7.074 10.107 1.00 0.00 H new ATOM 83 N TYR A 9 -1.278 6.300 8.864 1.00 0.00 N ATOM 84 CA TYR A 9 -0.790 4.931 8.772 1.00 0.00 C ATOM 85 C TYR A 9 0.690 4.885 8.442 1.00 0.00 C ATOM 86 O TYR A 9 1.159 5.576 7.538 1.00 0.00 O ATOM 87 CB TYR A 9 -1.568 4.160 7.715 1.00 0.00 C ATOM 88 CG TYR A 9 -3.038 4.109 8.021 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.534 3.203 8.945 1.00 0.00 C ATOM 90 CD2 TYR A 9 -3.927 4.978 7.403 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.876 3.160 9.250 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.278 4.938 7.701 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.745 4.028 8.625 1.00 0.00 C ATOM 94 OH TYR A 9 -7.087 3.989 8.927 1.00 0.00 O ATOM 0 H TYR A 9 -1.559 6.712 7.974 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.939 4.468 9.747 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.417 4.627 6.742 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -1.177 3.145 7.646 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.856 2.519 9.434 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.560 5.693 6.682 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.246 2.450 9.975 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.962 5.616 7.212 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.521 4.803 8.595 1.00 0.00 H new ATOM 104 N GLU A 10 1.417 4.048 9.165 1.00 0.00 N ATOM 105 CA GLU A 10 2.840 3.894 8.928 1.00 0.00 C ATOM 106 C GLU A 10 3.083 3.661 7.452 1.00 0.00 C ATOM 107 O GLU A 10 4.204 3.772 6.975 1.00 0.00 O ATOM 108 CB GLU A 10 3.392 2.712 9.716 1.00 0.00 C ATOM 109 CG GLU A 10 2.310 1.780 10.203 1.00 0.00 C ATOM 110 CD GLU A 10 2.847 0.651 11.061 1.00 0.00 C ATOM 111 OE1 GLU A 10 4.073 0.620 11.301 1.00 0.00 O ATOM 112 OE2 GLU A 10 2.043 -0.201 11.493 1.00 0.00 O ATOM 0 H GLU A 10 1.046 3.468 9.917 1.00 0.00 H new ATOM 0 HA GLU A 10 3.346 4.803 9.253 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.089 2.156 9.089 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.958 3.083 10.571 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.578 2.349 10.776 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.786 1.360 9.345 1.00 0.00 H new ATOM 119 N TRP A 11 2.020 3.305 6.739 1.00 0.00 N ATOM 120 CA TRP A 11 2.118 3.024 5.318 1.00 0.00 C ATOM 121 C TRP A 11 1.706 4.214 4.462 1.00 0.00 C ATOM 122 O TRP A 11 2.321 4.491 3.434 1.00 0.00 O ATOM 123 CB TRP A 11 1.242 1.826 4.966 1.00 0.00 C ATOM 124 CG TRP A 11 -0.065 1.764 5.715 1.00 0.00 C ATOM 125 CD1 TRP A 11 -0.334 1.089 6.876 1.00 0.00 C ATOM 126 CD2 TRP A 11 -1.298 2.372 5.319 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.662 1.243 7.216 1.00 0.00 N ATOM 128 CE2 TRP A 11 -2.272 2.027 6.274 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.667 3.176 4.249 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.596 2.462 6.176 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -2.973 3.606 4.150 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.926 3.247 5.107 1.00 0.00 C ATOM 0 H TRP A 11 1.081 3.205 7.125 1.00 0.00 H new ATOM 0 HA TRP A 11 3.165 2.806 5.105 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.032 1.847 3.897 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.802 0.912 5.163 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.388 0.519 7.442 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.115 0.839 8.035 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.940 3.461 3.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.332 2.188 6.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.265 4.231 3.319 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.942 3.596 5.000 1.00 0.00 H new ATOM 143 N TYR A 12 0.642 4.890 4.866 1.00 0.00 N ATOM 144 CA TYR A 12 0.128 6.021 4.108 1.00 0.00 C ATOM 145 C TYR A 12 1.140 7.145 3.938 1.00 0.00 C ATOM 146 O TYR A 12 1.865 7.503 4.866 1.00 0.00 O ATOM 147 CB TYR A 12 -1.126 6.588 4.757 1.00 0.00 C ATOM 148 CG TYR A 12 -1.723 7.703 3.942 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.437 7.424 2.789 1.00 0.00 C ATOM 150 CD2 TYR A 12 -1.556 9.030 4.310 1.00 0.00 C ATOM 151 CE1 TYR A 12 -2.976 8.435 2.024 1.00 0.00 C ATOM 152 CE2 TYR A 12 -2.090 10.052 3.549 1.00 0.00 C ATOM 153 CZ TYR A 12 -2.801 9.749 2.406 1.00 0.00 C ATOM 154 OH TYR A 12 -3.335 10.761 1.644 1.00 0.00 O ATOM 0 H TYR A 12 0.117 4.676 5.714 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.102 5.626 3.119 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.862 5.794 4.880 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.884 6.956 5.754 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.574 6.397 2.484 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.000 9.268 5.205 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.533 8.200 1.129 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.952 11.081 3.847 1.00 0.00 H new ATOM 0 HH TYR A 12 -3.333 11.594 2.160 1.00 0.00 H new ATOM 164 N ASN A 13 1.138 7.717 2.738 1.00 0.00 N ATOM 165 CA ASN A 13 2.005 8.836 2.406 1.00 0.00 C ATOM 166 C ASN A 13 1.221 9.871 1.604 1.00 0.00 C ATOM 167 O ASN A 13 1.053 9.740 0.392 1.00 0.00 O ATOM 168 CB ASN A 13 3.225 8.364 1.622 1.00 0.00 C ATOM 169 CG ASN A 13 4.507 8.949 2.178 1.00 0.00 C ATOM 170 OD1 ASN A 13 4.727 10.159 2.136 1.00 0.00 O ATOM 171 ND2 ASN A 13 5.354 8.087 2.715 1.00 0.00 N ATOM 0 H ASN A 13 0.536 7.417 1.972 1.00 0.00 H new ATOM 0 HA ASN A 13 2.358 9.293 3.330 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.278 7.276 1.652 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.118 8.649 0.575 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.232 8.417 3.117 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.130 7.092 2.728 1.00 0.00 H new ATOM 178 N LYS A 14 0.725 10.883 2.307 1.00 0.00 N ATOM 179 CA LYS A 14 -0.075 11.950 1.705 1.00 0.00 C ATOM 180 C LYS A 14 0.158 12.096 0.200 1.00 0.00 C ATOM 181 O LYS A 14 -0.094 11.171 -0.573 1.00 0.00 O ATOM 182 CB LYS A 14 0.206 13.274 2.411 1.00 0.00 C ATOM 183 CG LYS A 14 1.686 13.583 2.563 1.00 0.00 C ATOM 184 CD LYS A 14 2.279 12.883 3.775 1.00 0.00 C ATOM 185 CE LYS A 14 1.346 12.957 4.973 1.00 0.00 C ATOM 186 NZ LYS A 14 2.086 13.217 6.238 1.00 0.00 N ATOM 0 H LYS A 14 0.865 10.989 3.312 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.121 11.673 1.835 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.269 14.081 1.853 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.255 13.254 3.398 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.218 13.271 1.664 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.826 14.660 2.659 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.479 11.839 3.532 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.235 13.340 4.029 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.612 13.747 4.813 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.794 12.021 5.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.414 13.260 7.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.769 12.451 6.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.593 14.122 6.164 1.00 0.00 H new ATOM 200 N SER A 15 0.603 13.282 -0.211 1.00 0.00 N ATOM 201 CA SER A 15 0.832 13.576 -1.625 1.00 0.00 C ATOM 202 C SER A 15 2.076 12.883 -2.173 1.00 0.00 C ATOM 203 O SER A 15 2.763 13.428 -3.037 1.00 0.00 O ATOM 204 CB SER A 15 0.952 15.086 -1.831 1.00 0.00 C ATOM 205 OG SER A 15 -0.146 15.770 -1.252 1.00 0.00 O ATOM 0 H SER A 15 0.813 14.058 0.417 1.00 0.00 H new ATOM 0 HA SER A 15 -0.026 13.189 -2.175 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.881 15.444 -1.388 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.001 15.308 -2.897 1.00 0.00 H new ATOM 0 HG SER A 15 -0.044 16.734 -1.396 1.00 0.00 H new ATOM 211 N ILE A 16 2.365 11.686 -1.681 1.00 0.00 N ATOM 212 CA ILE A 16 3.523 10.942 -2.140 1.00 0.00 C ATOM 213 C ILE A 16 3.442 10.621 -3.622 1.00 0.00 C ATOM 214 O ILE A 16 2.393 10.761 -4.252 1.00 0.00 O ATOM 215 CB ILE A 16 3.667 9.618 -1.380 1.00 0.00 C ATOM 216 CG1 ILE A 16 4.952 9.613 -0.582 1.00 0.00 C ATOM 217 CG2 ILE A 16 3.652 8.437 -2.338 1.00 0.00 C ATOM 218 CD1 ILE A 16 5.483 8.218 -0.330 1.00 0.00 C ATOM 0 H ILE A 16 1.813 11.213 -0.966 1.00 0.00 H new ATOM 0 HA ILE A 16 4.385 11.582 -1.953 1.00 0.00 H new ATOM 0 HB ILE A 16 2.820 9.523 -0.701 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.706 10.193 -1.114 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.783 10.110 0.373 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.756 7.510 -1.774 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.710 8.425 -2.886 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.480 8.528 -3.041 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.406 8.279 0.247 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.744 7.643 0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.682 7.727 -1.283 1.00 0.00 H new ATOM 230 N SER A 17 4.561 10.164 -4.156 1.00 0.00 N ATOM 231 CA SER A 17 4.657 9.783 -5.548 1.00 0.00 C ATOM 232 C SER A 17 5.108 8.333 -5.646 1.00 0.00 C ATOM 233 O SER A 17 5.845 7.850 -4.786 1.00 0.00 O ATOM 234 CB SER A 17 5.649 10.685 -6.273 1.00 0.00 C ATOM 235 OG SER A 17 6.223 11.629 -5.385 1.00 0.00 O ATOM 0 H SER A 17 5.429 10.048 -3.633 1.00 0.00 H new ATOM 0 HA SER A 17 3.679 9.891 -6.017 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.435 10.079 -6.722 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.144 11.206 -7.086 1.00 0.00 H new ATOM 0 HG SER A 17 6.857 12.194 -5.874 1.00 0.00 H new ATOM 241 N ARG A 18 4.668 7.636 -6.682 1.00 0.00 N ATOM 242 CA ARG A 18 5.047 6.243 -6.855 1.00 0.00 C ATOM 243 C ARG A 18 6.557 6.090 -6.715 1.00 0.00 C ATOM 244 O ARG A 18 7.043 5.126 -6.124 1.00 0.00 O ATOM 245 CB ARG A 18 4.584 5.732 -8.221 1.00 0.00 C ATOM 246 CG ARG A 18 4.855 4.254 -8.441 1.00 0.00 C ATOM 247 CD ARG A 18 5.139 3.952 -9.903 1.00 0.00 C ATOM 248 NE ARG A 18 4.858 5.097 -10.764 1.00 0.00 N ATOM 249 CZ ARG A 18 5.757 6.027 -11.067 1.00 0.00 C ATOM 250 NH1 ARG A 18 6.989 5.945 -10.581 1.00 0.00 N ATOM 251 NH2 ARG A 18 5.427 7.041 -11.856 1.00 0.00 N ATOM 0 H ARG A 18 4.055 8.007 -7.408 1.00 0.00 H new ATOM 0 HA ARG A 18 4.562 5.648 -6.081 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.515 5.916 -8.325 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.084 6.305 -9.002 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.705 3.944 -7.833 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.996 3.672 -8.108 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.183 3.661 -10.017 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.535 3.102 -10.221 1.00 0.00 H new ATOM 0 HE ARG A 18 3.920 5.188 -11.154 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.247 5.167 -9.974 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.678 6.660 -10.815 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.481 7.108 -12.232 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.119 7.754 -12.087 1.00 0.00 H new ATOM 265 N ASP A 19 7.291 7.052 -7.259 1.00 0.00 N ATOM 266 CA ASP A 19 8.748 7.039 -7.197 1.00 0.00 C ATOM 267 C ASP A 19 9.261 7.384 -5.799 1.00 0.00 C ATOM 268 O ASP A 19 10.251 6.817 -5.337 1.00 0.00 O ATOM 269 CB ASP A 19 9.324 8.026 -8.211 1.00 0.00 C ATOM 270 CG ASP A 19 9.556 7.393 -9.570 1.00 0.00 C ATOM 271 OD1 ASP A 19 10.001 6.226 -9.612 1.00 0.00 O ATOM 272 OD2 ASP A 19 9.294 8.064 -10.590 1.00 0.00 O ATOM 0 H ASP A 19 6.899 7.855 -7.751 1.00 0.00 H new ATOM 0 HA ASP A 19 9.077 6.028 -7.436 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.643 8.870 -8.318 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.266 8.422 -7.833 1.00 0.00 H new ATOM 277 N LYS A 20 8.595 8.326 -5.134 1.00 0.00 N ATOM 278 CA LYS A 20 9.005 8.750 -3.800 1.00 0.00 C ATOM 279 C LYS A 20 8.946 7.598 -2.803 1.00 0.00 C ATOM 280 O LYS A 20 9.902 7.356 -2.060 1.00 0.00 O ATOM 281 CB LYS A 20 8.125 9.903 -3.316 1.00 0.00 C ATOM 282 CG LYS A 20 8.676 10.615 -2.092 1.00 0.00 C ATOM 283 CD LYS A 20 7.853 10.305 -0.854 1.00 0.00 C ATOM 284 CE LYS A 20 8.719 10.252 0.395 1.00 0.00 C ATOM 285 NZ LYS A 20 8.016 9.590 1.528 1.00 0.00 N ATOM 0 H LYS A 20 7.772 8.808 -5.497 1.00 0.00 H new ATOM 0 HA LYS A 20 10.039 9.088 -3.865 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.009 10.625 -4.124 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.131 9.519 -3.086 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.710 10.313 -1.928 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.682 11.691 -2.267 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.081 11.064 -0.730 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.343 9.350 -0.985 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.641 9.714 0.175 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.002 11.264 0.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.605 9.648 2.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.108 10.067 1.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.844 8.591 1.294 1.00 0.00 H new ATOM 299 N ALA A 21 7.823 6.890 -2.779 1.00 0.00 N ATOM 300 CA ALA A 21 7.668 5.777 -1.857 1.00 0.00 C ATOM 301 C ALA A 21 8.860 4.821 -1.964 1.00 0.00 C ATOM 302 O ALA A 21 9.311 4.253 -0.968 1.00 0.00 O ATOM 303 CB ALA A 21 6.344 5.062 -2.076 1.00 0.00 C ATOM 0 H ALA A 21 7.017 7.065 -3.380 1.00 0.00 H new ATOM 0 HA ALA A 21 7.651 6.171 -0.841 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.257 4.234 -1.372 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.523 5.761 -1.918 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.302 4.677 -3.095 1.00 0.00 H new ATOM 309 N GLU A 22 9.407 4.677 -3.163 1.00 0.00 N ATOM 310 CA GLU A 22 10.577 3.833 -3.346 1.00 0.00 C ATOM 311 C GLU A 22 11.742 4.473 -2.605 1.00 0.00 C ATOM 312 O GLU A 22 12.460 3.818 -1.841 1.00 0.00 O ATOM 313 CB GLU A 22 10.914 3.680 -4.830 1.00 0.00 C ATOM 314 CG GLU A 22 9.808 3.027 -5.639 1.00 0.00 C ATOM 315 CD GLU A 22 10.282 1.794 -6.385 1.00 0.00 C ATOM 316 OE1 GLU A 22 11.277 1.181 -5.946 1.00 0.00 O ATOM 317 OE2 GLU A 22 9.656 1.443 -7.407 1.00 0.00 O ATOM 0 H GLU A 22 9.065 5.127 -4.012 1.00 0.00 H new ATOM 0 HA GLU A 22 10.377 2.837 -2.951 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.127 4.663 -5.249 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.823 3.087 -4.928 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.990 2.752 -4.974 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.410 3.749 -6.353 1.00 0.00 H new ATOM 324 N LYS A 23 11.893 5.779 -2.819 1.00 0.00 N ATOM 325 CA LYS A 23 12.934 6.555 -2.167 1.00 0.00 C ATOM 326 C LYS A 23 12.749 6.502 -0.661 1.00 0.00 C ATOM 327 O LYS A 23 13.700 6.272 0.086 1.00 0.00 O ATOM 328 CB LYS A 23 12.894 8.006 -2.649 1.00 0.00 C ATOM 329 CG LYS A 23 12.022 8.915 -1.794 1.00 0.00 C ATOM 330 CD LYS A 23 12.849 9.701 -0.791 1.00 0.00 C ATOM 331 CE LYS A 23 11.966 10.441 0.200 1.00 0.00 C ATOM 332 NZ LYS A 23 12.690 11.561 0.861 1.00 0.00 N ATOM 0 H LYS A 23 11.299 6.322 -3.446 1.00 0.00 H new ATOM 0 HA LYS A 23 13.904 6.129 -2.423 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.909 8.402 -2.664 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.528 8.028 -3.675 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.476 9.605 -2.436 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.280 8.316 -1.265 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.512 9.023 -0.254 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.482 10.414 -1.319 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.089 10.831 -0.316 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.607 9.744 0.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.053 12.040 1.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.513 11.187 1.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.011 12.240 0.141 1.00 0.00 H new ATOM 346 N LEU A 24 11.509 6.698 -0.219 1.00 0.00 N ATOM 347 CA LEU A 24 11.205 6.648 1.202 1.00 0.00 C ATOM 348 C LEU A 24 11.292 5.205 1.683 1.00 0.00 C ATOM 349 O LEU A 24 11.728 4.939 2.802 1.00 0.00 O ATOM 350 CB LEU A 24 9.824 7.247 1.495 1.00 0.00 C ATOM 351 CG LEU A 24 8.732 6.239 1.841 1.00 0.00 C ATOM 352 CD1 LEU A 24 8.504 5.303 0.672 1.00 0.00 C ATOM 353 CD2 LEU A 24 9.102 5.458 3.093 1.00 0.00 C ATOM 0 H LEU A 24 10.708 6.891 -0.820 1.00 0.00 H new ATOM 0 HA LEU A 24 11.935 7.249 1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.920 7.951 2.322 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.503 7.820 0.625 1.00 0.00 H new ATOM 0 HG LEU A 24 7.806 6.778 2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.723 4.586 0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.197 5.879 -0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.427 4.769 0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.311 4.744 3.324 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.036 4.922 2.925 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.224 6.147 3.929 1.00 0.00 H new ATOM 365 N LEU A 25 10.901 4.272 0.814 1.00 0.00 N ATOM 366 CA LEU A 25 10.969 2.855 1.144 1.00 0.00 C ATOM 367 C LEU A 25 12.418 2.430 1.308 1.00 0.00 C ATOM 368 O LEU A 25 12.776 1.765 2.281 1.00 0.00 O ATOM 369 CB LEU A 25 10.314 2.006 0.055 1.00 0.00 C ATOM 370 CG LEU A 25 8.803 1.829 0.205 1.00 0.00 C ATOM 371 CD1 LEU A 25 8.240 0.998 -0.938 1.00 0.00 C ATOM 372 CD2 LEU A 25 8.490 1.191 1.547 1.00 0.00 C ATOM 0 H LEU A 25 10.537 4.474 -0.117 1.00 0.00 H new ATOM 0 HA LEU A 25 10.430 2.700 2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.518 2.462 -0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.783 1.022 0.050 1.00 0.00 H new ATOM 0 HG LEU A 25 8.328 2.809 0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.163 0.885 -0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.442 1.498 -1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.710 0.015 -0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.412 1.067 1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.974 0.216 1.608 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.859 1.831 2.349 1.00 0.00 H new ATOM 384 N LEU A 26 13.252 2.823 0.350 1.00 0.00 N ATOM 385 CA LEU A 26 14.666 2.484 0.397 1.00 0.00 C ATOM 386 C LEU A 26 15.255 2.872 1.748 1.00 0.00 C ATOM 387 O LEU A 26 16.303 2.366 2.150 1.00 0.00 O ATOM 388 CB LEU A 26 15.425 3.190 -0.727 1.00 0.00 C ATOM 389 CG LEU A 26 15.725 2.320 -1.948 1.00 0.00 C ATOM 390 CD1 LEU A 26 14.445 2.010 -2.707 1.00 0.00 C ATOM 391 CD2 LEU A 26 16.734 3.007 -2.856 1.00 0.00 C ATOM 0 H LEU A 26 12.973 3.373 -0.463 1.00 0.00 H new ATOM 0 HA LEU A 26 14.767 1.407 0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.845 4.055 -1.049 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.367 3.568 -0.328 1.00 0.00 H new ATOM 0 HG LEU A 26 16.157 1.380 -1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 26 14.677 1.390 -3.573 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.754 1.477 -2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.985 2.940 -3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.936 2.374 -3.720 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.330 3.962 -3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 26 17.660 3.178 -2.307 1.00 0.00 H new ATOM 403 N ASP A 27 14.566 3.770 2.448 1.00 0.00 N ATOM 404 CA ASP A 27 15.008 4.224 3.759 1.00 0.00 C ATOM 405 C ASP A 27 14.670 3.183 4.820 1.00 0.00 C ATOM 406 O ASP A 27 15.456 2.932 5.733 1.00 0.00 O ATOM 407 CB ASP A 27 14.353 5.560 4.109 1.00 0.00 C ATOM 408 CG ASP A 27 15.370 6.654 4.374 1.00 0.00 C ATOM 409 OD1 ASP A 27 16.377 6.720 3.637 1.00 0.00 O ATOM 410 OD2 ASP A 27 15.160 7.444 5.319 1.00 0.00 O ATOM 0 H ASP A 27 13.697 4.197 2.126 1.00 0.00 H new ATOM 0 HA ASP A 27 16.089 4.361 3.731 1.00 0.00 H new ATOM 0 HB2 ASP A 27 13.700 5.866 3.292 1.00 0.00 H new ATOM 0 HB3 ASP A 27 13.723 5.433 4.990 1.00 0.00 H new ATOM 415 N THR A 28 13.496 2.576 4.682 1.00 0.00 N ATOM 416 CA THR A 28 13.048 1.554 5.619 1.00 0.00 C ATOM 417 C THR A 28 13.854 0.275 5.435 1.00 0.00 C ATOM 418 O THR A 28 14.430 -0.252 6.388 1.00 0.00 O ATOM 419 CB THR A 28 11.561 1.262 5.415 1.00 0.00 C ATOM 420 OG1 THR A 28 11.203 1.404 4.052 1.00 0.00 O ATOM 421 CG2 THR A 28 10.655 2.165 6.221 1.00 0.00 C ATOM 0 H THR A 28 12.837 2.775 3.929 1.00 0.00 H new ATOM 0 HA THR A 28 13.201 1.926 6.632 1.00 0.00 H new ATOM 0 HB THR A 28 11.422 0.236 5.757 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.950 1.117 3.486 1.00 0.00 H new ATOM 0 HG21 THR A 28 9.615 1.903 6.028 1.00 0.00 H new ATOM 0 HG22 THR A 28 10.870 2.042 7.283 1.00 0.00 H new ATOM 0 HG23 THR A 28 10.827 3.202 5.934 1.00 0.00 H new ATOM 429 N GLY A 29 13.887 -0.222 4.203 1.00 0.00 N ATOM 430 CA GLY A 29 14.623 -1.438 3.917 1.00 0.00 C ATOM 431 C GLY A 29 14.071 -2.626 4.674 1.00 0.00 C ATOM 432 O GLY A 29 14.827 -3.468 5.161 1.00 0.00 O ATOM 0 H GLY A 29 13.418 0.195 3.399 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.586 -1.641 2.847 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.672 -1.297 4.178 1.00 0.00 H new ATOM 436 N LYS A 30 12.749 -2.690 4.778 1.00 0.00 N ATOM 437 CA LYS A 30 12.093 -3.779 5.488 1.00 0.00 C ATOM 438 C LYS A 30 11.593 -4.835 4.515 1.00 0.00 C ATOM 439 O LYS A 30 11.824 -4.753 3.309 1.00 0.00 O ATOM 440 CB LYS A 30 10.907 -3.254 6.293 1.00 0.00 C ATOM 441 CG LYS A 30 11.156 -1.911 6.953 1.00 0.00 C ATOM 442 CD LYS A 30 9.887 -1.082 6.999 1.00 0.00 C ATOM 443 CE LYS A 30 8.953 -1.471 5.870 1.00 0.00 C ATOM 444 NZ LYS A 30 8.172 -2.690 6.201 1.00 0.00 N ATOM 0 H LYS A 30 12.111 -2.001 4.380 1.00 0.00 H new ATOM 0 HA LYS A 30 12.827 -4.224 6.160 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.043 -3.169 5.634 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.651 -3.983 7.062 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.531 -2.064 7.965 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.928 -1.370 6.405 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.387 -1.225 7.957 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.135 -0.023 6.924 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.271 -0.647 5.661 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.531 -1.644 4.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.220 -2.615 5.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.653 -3.526 5.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.095 -2.783 7.234 1.00 0.00 H new ATOM 458 N GLU A 31 10.888 -5.818 5.056 1.00 0.00 N ATOM 459 CA GLU A 31 10.323 -6.891 4.254 1.00 0.00 C ATOM 460 C GLU A 31 8.963 -6.480 3.706 1.00 0.00 C ATOM 461 O GLU A 31 7.989 -6.383 4.453 1.00 0.00 O ATOM 462 CB GLU A 31 10.185 -8.158 5.104 1.00 0.00 C ATOM 463 CG GLU A 31 10.367 -9.452 4.326 1.00 0.00 C ATOM 464 CD GLU A 31 11.661 -10.161 4.675 1.00 0.00 C ATOM 465 OE1 GLU A 31 12.156 -9.973 5.807 1.00 0.00 O ATOM 466 OE2 GLU A 31 12.180 -10.906 3.816 1.00 0.00 O ATOM 0 H GLU A 31 10.693 -5.894 6.054 1.00 0.00 H new ATOM 0 HA GLU A 31 10.990 -7.094 3.416 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.920 -8.124 5.909 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.200 -8.163 5.571 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.526 -10.116 4.529 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.352 -9.235 3.258 1.00 0.00 H new ATOM 473 N GLY A 32 8.895 -6.237 2.403 1.00 0.00 N ATOM 474 CA GLY A 32 7.642 -5.838 1.800 1.00 0.00 C ATOM 475 C GLY A 32 7.112 -4.559 2.406 1.00 0.00 C ATOM 476 O GLY A 32 5.903 -4.393 2.571 1.00 0.00 O ATOM 0 H GLY A 32 9.682 -6.309 1.758 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.781 -5.702 0.728 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.907 -6.633 1.928 1.00 0.00 H new ATOM 480 N ALA A 33 8.022 -3.647 2.729 1.00 0.00 N ATOM 481 CA ALA A 33 7.638 -2.368 3.311 1.00 0.00 C ATOM 482 C ALA A 33 6.354 -1.879 2.655 1.00 0.00 C ATOM 483 O ALA A 33 6.297 -1.736 1.434 1.00 0.00 O ATOM 484 CB ALA A 33 8.750 -1.356 3.113 1.00 0.00 C ATOM 0 H ALA A 33 9.026 -3.769 2.598 1.00 0.00 H new ATOM 0 HA ALA A 33 7.467 -2.491 4.380 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.456 -0.402 3.551 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.658 -1.713 3.599 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.936 -1.224 2.047 1.00 0.00 H new ATOM 490 N PHE A 34 5.314 -1.653 3.448 1.00 0.00 N ATOM 491 CA PHE A 34 4.040 -1.216 2.891 1.00 0.00 C ATOM 492 C PHE A 34 3.770 0.269 3.096 1.00 0.00 C ATOM 493 O PHE A 34 3.834 0.776 4.206 1.00 0.00 O ATOM 494 CB PHE A 34 2.884 -1.998 3.497 1.00 0.00 C ATOM 495 CG PHE A 34 1.582 -1.301 3.270 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.104 -1.155 1.991 1.00 0.00 C ATOM 497 CD2 PHE A 34 0.859 -0.762 4.314 1.00 0.00 C ATOM 498 CE1 PHE A 34 -0.072 -0.486 1.748 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.308 -0.088 4.078 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.778 0.054 2.797 1.00 0.00 C ATOM 0 H PHE A 34 5.325 -1.763 4.462 1.00 0.00 H new ATOM 0 HA PHE A 34 4.114 -1.405 1.820 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.847 -2.995 3.059 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.049 -2.126 4.567 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.660 -1.572 1.164 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.217 -0.873 5.327 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.440 -0.385 0.738 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.862 0.334 4.904 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.699 0.588 2.613 1.00 0.00 H new ATOM 510 N MET A 35 3.429 0.955 2.017 1.00 0.00 N ATOM 511 CA MET A 35 3.112 2.374 2.089 1.00 0.00 C ATOM 512 C MET A 35 1.896 2.687 1.223 1.00 0.00 C ATOM 513 O MET A 35 1.527 1.890 0.363 1.00 0.00 O ATOM 514 CB MET A 35 4.313 3.202 1.638 1.00 0.00 C ATOM 515 CG MET A 35 3.961 4.606 1.187 1.00 0.00 C ATOM 516 SD MET A 35 5.392 5.696 1.193 1.00 0.00 S ATOM 517 CE MET A 35 6.025 5.393 2.842 1.00 0.00 C ATOM 0 H MET A 35 3.364 0.554 1.081 1.00 0.00 H new ATOM 0 HA MET A 35 2.878 2.631 3.122 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.027 3.264 2.459 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.812 2.683 0.820 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.538 4.569 0.183 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.192 5.015 1.842 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.780 6.141 3.085 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.209 5.454 3.562 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.472 4.400 2.883 1.00 0.00 H new ATOM 527 N VAL A 36 1.278 3.843 1.438 1.00 0.00 N ATOM 528 CA VAL A 36 0.118 4.234 0.646 1.00 0.00 C ATOM 529 C VAL A 36 0.212 5.694 0.240 1.00 0.00 C ATOM 530 O VAL A 36 0.807 6.506 0.945 1.00 0.00 O ATOM 531 CB VAL A 36 -1.212 4.004 1.381 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.380 4.430 0.506 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.346 2.547 1.783 1.00 0.00 C ATOM 0 H VAL A 36 1.558 4.520 2.148 1.00 0.00 H new ATOM 0 HA VAL A 36 0.127 3.596 -0.238 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.222 4.612 2.286 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.315 4.261 1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.286 5.489 0.264 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.377 3.846 -0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.293 2.399 2.303 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.319 1.920 0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.523 2.275 2.444 1.00 0.00 H new ATOM 543 N ARG A 37 -0.369 6.023 -0.904 1.00 0.00 N ATOM 544 CA ARG A 37 -0.337 7.390 -1.396 1.00 0.00 C ATOM 545 C ARG A 37 -1.600 7.717 -2.186 1.00 0.00 C ATOM 546 O ARG A 37 -1.960 7.013 -3.129 1.00 0.00 O ATOM 547 CB ARG A 37 0.918 7.603 -2.245 1.00 0.00 C ATOM 548 CG ARG A 37 0.667 7.625 -3.739 1.00 0.00 C ATOM 549 CD ARG A 37 1.621 6.686 -4.456 1.00 0.00 C ATOM 550 NE ARG A 37 1.879 7.094 -5.834 1.00 0.00 N ATOM 551 CZ ARG A 37 0.928 7.409 -6.712 1.00 0.00 C ATOM 552 NH1 ARG A 37 -0.349 7.334 -6.370 1.00 0.00 N ATOM 553 NH2 ARG A 37 1.259 7.789 -7.938 1.00 0.00 N ATOM 0 H ARG A 37 -0.865 5.366 -1.505 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.302 8.070 -0.545 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.384 8.544 -1.953 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.632 6.811 -2.021 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.363 7.332 -3.944 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.792 8.639 -4.119 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.564 6.645 -3.910 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.206 5.678 -4.451 1.00 0.00 H new ATOM 0 HE ARG A 37 2.850 7.141 -6.144 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.609 7.034 -5.430 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.073 7.576 -7.046 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.241 7.840 -8.208 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.532 8.030 -8.611 1.00 0.00 H new ATOM 567 N ASP A 38 -2.279 8.784 -1.775 1.00 0.00 N ATOM 568 CA ASP A 38 -3.514 9.207 -2.423 1.00 0.00 C ATOM 569 C ASP A 38 -3.299 9.488 -3.905 1.00 0.00 C ATOM 570 O ASP A 38 -2.225 9.921 -4.319 1.00 0.00 O ATOM 571 CB ASP A 38 -4.072 10.453 -1.734 1.00 0.00 C ATOM 572 CG ASP A 38 -5.416 10.870 -2.297 1.00 0.00 C ATOM 573 OD1 ASP A 38 -6.443 10.316 -1.855 1.00 0.00 O ATOM 574 OD2 ASP A 38 -5.440 11.752 -3.182 1.00 0.00 O ATOM 0 H ASP A 38 -1.992 9.373 -0.993 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.231 8.391 -2.334 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.172 10.260 -0.666 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.364 11.274 -1.845 1.00 0.00 H new ATOM 579 N SER A 39 -4.336 9.237 -4.697 1.00 0.00 N ATOM 580 CA SER A 39 -4.277 9.460 -6.135 1.00 0.00 C ATOM 581 C SER A 39 -5.253 10.557 -6.554 1.00 0.00 C ATOM 582 O SER A 39 -5.214 11.670 -6.028 1.00 0.00 O ATOM 583 CB SER A 39 -4.592 8.162 -6.882 1.00 0.00 C ATOM 584 OG SER A 39 -4.983 8.424 -8.219 1.00 0.00 O ATOM 0 H SER A 39 -5.231 8.877 -4.364 1.00 0.00 H new ATOM 0 HA SER A 39 -3.268 9.782 -6.391 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.716 7.514 -6.877 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.388 7.626 -6.366 1.00 0.00 H new ATOM 0 HG SER A 39 -5.080 7.578 -8.703 1.00 0.00 H new ATOM 590 N ARG A 40 -6.130 10.233 -7.500 1.00 0.00 N ATOM 591 CA ARG A 40 -7.120 11.187 -7.989 1.00 0.00 C ATOM 592 C ARG A 40 -8.227 10.464 -8.747 1.00 0.00 C ATOM 593 O ARG A 40 -8.871 11.033 -9.628 1.00 0.00 O ATOM 594 CB ARG A 40 -6.459 12.230 -8.891 1.00 0.00 C ATOM 595 CG ARG A 40 -5.675 13.286 -8.128 1.00 0.00 C ATOM 596 CD ARG A 40 -6.469 13.829 -6.950 1.00 0.00 C ATOM 597 NE ARG A 40 -5.680 14.747 -6.133 1.00 0.00 N ATOM 598 CZ ARG A 40 -6.114 15.279 -4.997 1.00 0.00 C ATOM 599 NH1 ARG A 40 -7.327 14.987 -4.545 1.00 0.00 N ATOM 600 NH2 ARG A 40 -5.337 16.105 -4.308 1.00 0.00 N ATOM 0 H ARG A 40 -6.175 9.316 -7.944 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.559 11.696 -7.131 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.789 11.724 -9.587 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.227 12.721 -9.488 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.739 12.857 -7.770 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.415 14.104 -8.800 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.357 14.343 -7.318 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.814 13.000 -6.333 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.743 14.993 -6.453 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.928 14.352 -5.071 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.658 15.397 -3.672 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.404 16.333 -4.651 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.673 16.512 -3.435 1.00 0.00 H new ATOM 614 N THR A 41 -8.437 9.201 -8.394 1.00 0.00 N ATOM 615 CA THR A 41 -9.458 8.378 -9.029 1.00 0.00 C ATOM 616 C THR A 41 -10.706 8.298 -8.139 1.00 0.00 C ATOM 617 O THR A 41 -10.923 9.175 -7.305 1.00 0.00 O ATOM 618 CB THR A 41 -8.876 6.990 -9.313 1.00 0.00 C ATOM 619 OG1 THR A 41 -9.513 6.387 -10.425 1.00 0.00 O ATOM 620 CG2 THR A 41 -8.973 6.043 -8.138 1.00 0.00 C ATOM 0 H THR A 41 -7.908 8.722 -7.665 1.00 0.00 H new ATOM 0 HA THR A 41 -9.763 8.826 -9.975 1.00 0.00 H new ATOM 0 HB THR A 41 -7.820 7.162 -9.522 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.202 5.462 -10.518 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.542 5.080 -8.411 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.428 6.458 -7.290 1.00 0.00 H new ATOM 0 HG23 THR A 41 -10.020 5.908 -7.865 1.00 0.00 H new ATOM 628 N PRO A 42 -11.554 7.262 -8.305 1.00 0.00 N ATOM 629 CA PRO A 42 -12.780 7.106 -7.514 1.00 0.00 C ATOM 630 C PRO A 42 -12.631 7.505 -6.042 1.00 0.00 C ATOM 631 O PRO A 42 -13.615 7.518 -5.301 1.00 0.00 O ATOM 632 CB PRO A 42 -13.067 5.616 -7.646 1.00 0.00 C ATOM 633 CG PRO A 42 -12.606 5.285 -9.021 1.00 0.00 C ATOM 634 CD PRO A 42 -11.410 6.165 -9.286 1.00 0.00 C ATOM 0 HA PRO A 42 -13.575 7.760 -7.872 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.530 5.037 -6.894 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.128 5.400 -7.517 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.339 4.231 -9.099 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -13.394 5.469 -9.751 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.475 5.622 -9.145 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.409 6.541 -10.309 1.00 0.00 H new ATOM 642 N GLY A 43 -11.415 7.840 -5.618 1.00 0.00 N ATOM 643 CA GLY A 43 -11.205 8.241 -4.237 1.00 0.00 C ATOM 644 C GLY A 43 -10.373 7.256 -3.448 1.00 0.00 C ATOM 645 O GLY A 43 -10.362 7.283 -2.217 1.00 0.00 O ATOM 0 H GLY A 43 -10.578 7.841 -6.200 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.716 9.215 -4.219 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.173 8.361 -3.750 1.00 0.00 H new ATOM 649 N THR A 44 -9.682 6.385 -4.157 1.00 0.00 N ATOM 650 CA THR A 44 -8.842 5.375 -3.529 1.00 0.00 C ATOM 651 C THR A 44 -7.504 5.949 -3.082 1.00 0.00 C ATOM 652 O THR A 44 -7.315 7.164 -3.025 1.00 0.00 O ATOM 653 CB THR A 44 -8.589 4.242 -4.511 1.00 0.00 C ATOM 654 OG1 THR A 44 -7.245 3.800 -4.426 1.00 0.00 O ATOM 655 CG2 THR A 44 -8.850 4.633 -5.947 1.00 0.00 C ATOM 0 H THR A 44 -9.684 6.354 -5.177 1.00 0.00 H new ATOM 0 HA THR A 44 -9.368 5.009 -2.648 1.00 0.00 H new ATOM 0 HB THR A 44 -9.285 3.451 -4.232 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.086 3.106 -5.099 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.651 3.781 -6.598 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.890 4.939 -6.057 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.197 5.461 -6.223 1.00 0.00 H new ATOM 663 N TYR A 45 -6.576 5.048 -2.780 1.00 0.00 N ATOM 664 CA TYR A 45 -5.238 5.422 -2.350 1.00 0.00 C ATOM 665 C TYR A 45 -4.200 4.489 -2.970 1.00 0.00 C ATOM 666 O TYR A 45 -4.526 3.379 -3.389 1.00 0.00 O ATOM 667 CB TYR A 45 -5.132 5.377 -0.828 1.00 0.00 C ATOM 668 CG TYR A 45 -6.270 6.071 -0.125 1.00 0.00 C ATOM 669 CD1 TYR A 45 -7.560 5.582 -0.231 1.00 0.00 C ATOM 670 CD2 TYR A 45 -6.054 7.203 0.644 1.00 0.00 C ATOM 671 CE1 TYR A 45 -8.612 6.201 0.411 1.00 0.00 C ATOM 672 CE2 TYR A 45 -7.099 7.832 1.293 1.00 0.00 C ATOM 673 CZ TYR A 45 -8.378 7.326 1.175 1.00 0.00 C ATOM 674 OH TYR A 45 -9.423 7.948 1.818 1.00 0.00 O ATOM 0 H TYR A 45 -6.731 4.041 -2.827 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.044 6.441 -2.685 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.096 4.337 -0.505 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.192 5.838 -0.523 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.746 4.701 -0.827 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.054 7.600 0.738 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.613 5.807 0.316 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.916 8.714 1.889 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.087 8.724 2.313 1.00 0.00 H new ATOM 684 N THR A 46 -2.952 4.939 -3.027 1.00 0.00 N ATOM 685 CA THR A 46 -1.877 4.130 -3.594 1.00 0.00 C ATOM 686 C THR A 46 -1.133 3.385 -2.491 1.00 0.00 C ATOM 687 O THR A 46 -1.104 3.841 -1.352 1.00 0.00 O ATOM 688 CB THR A 46 -0.907 5.011 -4.376 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.611 5.921 -5.201 1.00 0.00 O ATOM 690 CG2 THR A 46 0.031 4.217 -5.261 1.00 0.00 C ATOM 0 H THR A 46 -2.659 5.856 -2.689 1.00 0.00 H new ATOM 0 HA THR A 46 -2.317 3.400 -4.274 1.00 0.00 H new ATOM 0 HB THR A 46 -0.318 5.537 -3.625 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.096 6.562 -4.641 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.696 4.899 -5.791 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.622 3.538 -4.647 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.549 3.642 -5.983 1.00 0.00 H new ATOM 698 N VAL A 47 -0.536 2.240 -2.826 1.00 0.00 N ATOM 699 CA VAL A 47 0.198 1.454 -1.841 1.00 0.00 C ATOM 700 C VAL A 47 1.624 1.184 -2.288 1.00 0.00 C ATOM 701 O VAL A 47 1.860 0.503 -3.285 1.00 0.00 O ATOM 702 CB VAL A 47 -0.480 0.102 -1.551 1.00 0.00 C ATOM 703 CG1 VAL A 47 0.490 -0.827 -0.826 1.00 0.00 C ATOM 704 CG2 VAL A 47 -1.754 0.302 -0.743 1.00 0.00 C ATOM 0 H VAL A 47 -0.547 1.841 -3.765 1.00 0.00 H new ATOM 0 HA VAL A 47 0.203 2.055 -0.932 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.756 -0.362 -2.498 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.000 -1.780 -0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.368 -0.994 -1.449 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.795 -0.371 0.116 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.217 -0.665 -0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.512 0.785 0.204 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.446 0.930 -1.304 1.00 0.00 H new ATOM 714 N SER A 48 2.573 1.702 -1.526 1.00 0.00 N ATOM 715 CA SER A 48 3.981 1.503 -1.817 1.00 0.00 C ATOM 716 C SER A 48 4.489 0.279 -1.065 1.00 0.00 C ATOM 717 O SER A 48 4.584 0.295 0.164 1.00 0.00 O ATOM 718 CB SER A 48 4.796 2.735 -1.401 1.00 0.00 C ATOM 719 OG SER A 48 5.954 2.362 -0.676 1.00 0.00 O ATOM 0 H SER A 48 2.391 2.267 -0.696 1.00 0.00 H new ATOM 0 HA SER A 48 4.098 1.351 -2.890 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.085 3.299 -2.288 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.178 3.394 -0.791 1.00 0.00 H new ATOM 0 HG SER A 48 6.204 3.085 -0.064 1.00 0.00 H new ATOM 725 N VAL A 49 4.819 -0.778 -1.798 1.00 0.00 N ATOM 726 CA VAL A 49 5.328 -1.996 -1.182 1.00 0.00 C ATOM 727 C VAL A 49 6.811 -2.151 -1.492 1.00 0.00 C ATOM 728 O VAL A 49 7.226 -2.062 -2.650 1.00 0.00 O ATOM 729 CB VAL A 49 4.555 -3.241 -1.651 1.00 0.00 C ATOM 730 CG1 VAL A 49 3.062 -3.065 -1.399 1.00 0.00 C ATOM 731 CG2 VAL A 49 4.831 -3.520 -3.117 1.00 0.00 C ATOM 0 H VAL A 49 4.744 -0.816 -2.814 1.00 0.00 H new ATOM 0 HA VAL A 49 5.187 -1.909 -0.105 1.00 0.00 H new ATOM 0 HB VAL A 49 4.898 -4.101 -1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.529 -3.954 -1.736 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.888 -2.920 -0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.700 -2.195 -1.948 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.276 -4.404 -3.430 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.518 -2.664 -3.715 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.898 -3.692 -3.260 1.00 0.00 H new ATOM 741 N PHE A 50 7.609 -2.333 -0.447 1.00 0.00 N ATOM 742 CA PHE A 50 9.055 -2.442 -0.600 1.00 0.00 C ATOM 743 C PHE A 50 9.604 -3.771 -0.093 1.00 0.00 C ATOM 744 O PHE A 50 9.264 -4.224 1.004 1.00 0.00 O ATOM 745 CB PHE A 50 9.716 -1.298 0.157 1.00 0.00 C ATOM 746 CG PHE A 50 11.182 -1.478 0.395 1.00 0.00 C ATOM 747 CD1 PHE A 50 11.644 -2.425 1.298 1.00 0.00 C ATOM 748 CD2 PHE A 50 12.097 -0.686 -0.275 1.00 0.00 C ATOM 749 CE1 PHE A 50 12.995 -2.575 1.519 1.00 0.00 C ATOM 750 CE2 PHE A 50 13.447 -0.831 -0.054 1.00 0.00 C ATOM 751 CZ PHE A 50 13.897 -1.775 0.841 1.00 0.00 C ATOM 0 H PHE A 50 7.280 -2.408 0.515 1.00 0.00 H new ATOM 0 HA PHE A 50 9.280 -2.390 -1.665 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.562 -0.374 -0.400 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.216 -1.178 1.118 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.940 -3.048 1.830 1.00 0.00 H new ATOM 0 HD2 PHE A 50 11.748 0.054 -0.979 1.00 0.00 H new ATOM 0 HE1 PHE A 50 13.350 -3.316 2.220 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.152 -0.206 -0.581 1.00 0.00 H new ATOM 0 HZ PHE A 50 14.957 -1.891 1.014 1.00 0.00 H new ATOM 761 N THR A 51 10.475 -4.374 -0.900 1.00 0.00 N ATOM 762 CA THR A 51 11.103 -5.640 -0.549 1.00 0.00 C ATOM 763 C THR A 51 12.587 -5.463 -0.269 1.00 0.00 C ATOM 764 O THR A 51 13.370 -5.207 -1.183 1.00 0.00 O ATOM 765 CB THR A 51 10.952 -6.657 -1.676 1.00 0.00 C ATOM 766 OG1 THR A 51 9.622 -7.135 -1.758 1.00 0.00 O ATOM 767 CG2 THR A 51 11.869 -7.850 -1.512 1.00 0.00 C ATOM 0 H THR A 51 10.761 -4.001 -1.805 1.00 0.00 H new ATOM 0 HA THR A 51 10.600 -6.000 0.349 1.00 0.00 H new ATOM 0 HB THR A 51 11.223 -6.126 -2.588 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.552 -7.784 -2.489 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.719 -8.541 -2.342 1.00 0.00 H new ATOM 0 HG22 THR A 51 12.906 -7.513 -1.503 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.643 -8.356 -0.573 1.00 0.00 H new ATOM 775 N LYS A 52 12.979 -5.634 0.983 1.00 0.00 N ATOM 776 CA LYS A 52 14.381 -5.526 1.347 1.00 0.00 C ATOM 777 C LYS A 52 15.206 -6.471 0.478 1.00 0.00 C ATOM 778 O LYS A 52 14.712 -7.507 0.032 1.00 0.00 O ATOM 779 CB LYS A 52 14.574 -5.871 2.825 1.00 0.00 C ATOM 780 CG LYS A 52 14.214 -7.310 3.171 1.00 0.00 C ATOM 781 CD LYS A 52 13.556 -8.027 2.000 1.00 0.00 C ATOM 782 CE LYS A 52 12.228 -8.648 2.396 1.00 0.00 C ATOM 783 NZ LYS A 52 11.109 -8.124 1.565 1.00 0.00 N ATOM 0 H LYS A 52 12.351 -5.846 1.758 1.00 0.00 H new ATOM 0 HA LYS A 52 14.714 -4.501 1.184 1.00 0.00 H new ATOM 0 HB2 LYS A 52 15.614 -5.690 3.098 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.964 -5.198 3.428 1.00 0.00 H new ATOM 0 HG2 LYS A 52 15.114 -7.848 3.467 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.540 -7.320 4.028 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.399 -7.322 1.184 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.224 -8.803 1.627 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.286 -9.731 2.289 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.028 -8.442 3.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.234 -8.117 2.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.330 -7.156 1.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.981 -8.733 0.732 1.00 0.00 H new ATOM 797 N ALA A 53 16.453 -6.117 0.229 1.00 0.00 N ATOM 798 CA ALA A 53 17.315 -6.952 -0.595 1.00 0.00 C ATOM 799 C ALA A 53 18.593 -6.218 -0.989 1.00 0.00 C ATOM 800 O ALA A 53 18.619 -4.990 -1.063 1.00 0.00 O ATOM 801 CB ALA A 53 16.557 -7.411 -1.832 1.00 0.00 C ATOM 0 H ALA A 53 16.891 -5.266 0.580 1.00 0.00 H new ATOM 0 HA ALA A 53 17.607 -7.824 -0.010 1.00 0.00 H new ATOM 0 HB1 ALA A 53 17.206 -8.036 -2.446 1.00 0.00 H new ATOM 0 HB2 ALA A 53 15.681 -7.985 -1.530 1.00 0.00 H new ATOM 0 HB3 ALA A 53 16.240 -6.542 -2.408 1.00 0.00 H new ATOM 807 N ILE A 54 19.654 -6.983 -1.237 1.00 0.00 N ATOM 808 CA ILE A 54 20.939 -6.411 -1.620 1.00 0.00 C ATOM 809 C ILE A 54 21.048 -6.251 -3.134 1.00 0.00 C ATOM 810 O ILE A 54 20.678 -5.213 -3.685 1.00 0.00 O ATOM 811 CB ILE A 54 22.111 -7.280 -1.121 1.00 0.00 C ATOM 812 CG1 ILE A 54 21.597 -8.634 -0.627 1.00 0.00 C ATOM 813 CG2 ILE A 54 22.872 -6.563 -0.016 1.00 0.00 C ATOM 814 CD1 ILE A 54 21.015 -9.498 -1.724 1.00 0.00 C ATOM 0 H ILE A 54 19.647 -8.001 -1.179 1.00 0.00 H new ATOM 0 HA ILE A 54 20.997 -5.428 -1.152 1.00 0.00 H new ATOM 0 HB ILE A 54 22.794 -7.452 -1.953 1.00 0.00 H new ATOM 0 HG12 ILE A 54 22.416 -9.171 -0.149 1.00 0.00 H new ATOM 0 HG13 ILE A 54 20.836 -8.468 0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 54 23.696 -7.190 0.325 1.00 0.00 H new ATOM 0 HG22 ILE A 54 23.267 -5.621 -0.398 1.00 0.00 H new ATOM 0 HG23 ILE A 54 22.199 -6.363 0.818 1.00 0.00 H new ATOM 0 HD11 ILE A 54 20.671 -10.442 -1.300 1.00 0.00 H new ATOM 0 HD12 ILE A 54 20.175 -8.981 -2.187 1.00 0.00 H new ATOM 0 HD13 ILE A 54 21.779 -9.695 -2.476 1.00 0.00 H new ATOM 826 N ILE A 55 21.555 -7.283 -3.803 1.00 0.00 N ATOM 827 CA ILE A 55 21.711 -7.251 -5.254 1.00 0.00 C ATOM 828 C ILE A 55 20.502 -6.600 -5.920 1.00 0.00 C ATOM 829 O ILE A 55 19.361 -6.851 -5.535 1.00 0.00 O ATOM 830 CB ILE A 55 21.904 -8.667 -5.831 1.00 0.00 C ATOM 831 CG1 ILE A 55 21.463 -8.711 -7.295 1.00 0.00 C ATOM 832 CG2 ILE A 55 21.130 -9.685 -5.007 1.00 0.00 C ATOM 833 CD1 ILE A 55 22.507 -9.291 -8.225 1.00 0.00 C ATOM 0 H ILE A 55 21.864 -8.150 -3.364 1.00 0.00 H new ATOM 0 HA ILE A 55 22.602 -6.659 -5.465 1.00 0.00 H new ATOM 0 HB ILE A 55 22.963 -8.921 -5.784 1.00 0.00 H new ATOM 0 HG12 ILE A 55 20.550 -9.302 -7.373 1.00 0.00 H new ATOM 0 HG13 ILE A 55 21.218 -7.701 -7.622 1.00 0.00 H new ATOM 0 HG21 ILE A 55 21.276 -10.680 -5.427 1.00 0.00 H new ATOM 0 HG22 ILE A 55 21.489 -9.669 -3.978 1.00 0.00 H new ATOM 0 HG23 ILE A 55 20.069 -9.436 -5.025 1.00 0.00 H new ATOM 0 HD11 ILE A 55 22.125 -9.291 -9.246 1.00 0.00 H new ATOM 0 HD12 ILE A 55 23.413 -8.687 -8.176 1.00 0.00 H new ATOM 0 HD13 ILE A 55 22.735 -10.313 -7.923 1.00 0.00 H new ATOM 845 N SER A 56 20.761 -5.761 -6.919 1.00 0.00 N ATOM 846 CA SER A 56 19.693 -5.071 -7.634 1.00 0.00 C ATOM 847 C SER A 56 18.562 -6.030 -7.989 1.00 0.00 C ATOM 848 O SER A 56 17.389 -5.733 -7.759 1.00 0.00 O ATOM 849 CB SER A 56 20.238 -4.419 -8.905 1.00 0.00 C ATOM 850 OG SER A 56 21.617 -4.701 -9.073 1.00 0.00 O ATOM 0 H SER A 56 21.700 -5.543 -7.251 1.00 0.00 H new ATOM 0 HA SER A 56 19.296 -4.297 -6.977 1.00 0.00 H new ATOM 0 HB2 SER A 56 19.682 -4.781 -9.770 1.00 0.00 H new ATOM 0 HB3 SER A 56 20.087 -3.340 -8.857 1.00 0.00 H new ATOM 0 HG SER A 56 21.941 -4.274 -9.894 1.00 0.00 H new ATOM 856 N GLU A 57 18.919 -7.180 -8.548 1.00 0.00 N ATOM 857 CA GLU A 57 17.929 -8.180 -8.934 1.00 0.00 C ATOM 858 C GLU A 57 17.443 -8.964 -7.717 1.00 0.00 C ATOM 859 O GLU A 57 17.094 -10.139 -7.822 1.00 0.00 O ATOM 860 CB GLU A 57 18.517 -9.137 -9.972 1.00 0.00 C ATOM 861 CG GLU A 57 19.006 -10.450 -9.385 1.00 0.00 C ATOM 862 CD GLU A 57 19.948 -11.187 -10.316 1.00 0.00 C ATOM 863 OE1 GLU A 57 19.630 -11.295 -11.518 1.00 0.00 O ATOM 864 OE2 GLU A 57 21.005 -11.656 -9.842 1.00 0.00 O ATOM 0 H GLU A 57 19.885 -7.444 -8.744 1.00 0.00 H new ATOM 0 HA GLU A 57 17.077 -7.661 -9.372 1.00 0.00 H new ATOM 0 HB2 GLU A 57 17.761 -9.347 -10.729 1.00 0.00 H new ATOM 0 HB3 GLU A 57 19.347 -8.644 -10.478 1.00 0.00 H new ATOM 0 HG2 GLU A 57 19.513 -10.255 -8.440 1.00 0.00 H new ATOM 0 HG3 GLU A 57 18.149 -11.086 -9.162 1.00 0.00 H new ATOM 871 N ASN A 58 17.423 -8.303 -6.563 1.00 0.00 N ATOM 872 CA ASN A 58 16.980 -8.934 -5.325 1.00 0.00 C ATOM 873 C ASN A 58 15.828 -8.156 -4.695 1.00 0.00 C ATOM 874 O ASN A 58 14.736 -8.692 -4.507 1.00 0.00 O ATOM 875 CB ASN A 58 18.142 -9.042 -4.337 1.00 0.00 C ATOM 876 CG ASN A 58 18.418 -10.476 -3.922 1.00 0.00 C ATOM 877 OD1 ASN A 58 19.148 -11.201 -4.597 1.00 0.00 O ATOM 878 ND2 ASN A 58 17.831 -10.891 -2.806 1.00 0.00 N ATOM 0 H ASN A 58 17.709 -7.329 -6.460 1.00 0.00 H new ATOM 0 HA ASN A 58 16.625 -9.936 -5.566 1.00 0.00 H new ATOM 0 HB2 ASN A 58 19.039 -8.618 -4.788 1.00 0.00 H new ATOM 0 HB3 ASN A 58 17.919 -8.447 -3.451 1.00 0.00 H new ATOM 0 HD21 ASN A 58 17.978 -11.845 -2.477 1.00 0.00 H new ATOM 0 HD22 ASN A 58 17.233 -10.256 -2.277 1.00 0.00 H new ATOM 885 N PRO A 59 16.055 -6.873 -4.365 1.00 0.00 N ATOM 886 CA PRO A 59 15.033 -6.021 -3.759 1.00 0.00 C ATOM 887 C PRO A 59 14.086 -5.447 -4.801 1.00 0.00 C ATOM 888 O PRO A 59 14.523 -4.902 -5.815 1.00 0.00 O ATOM 889 CB PRO A 59 15.854 -4.916 -3.104 1.00 0.00 C ATOM 890 CG PRO A 59 17.070 -4.790 -3.960 1.00 0.00 C ATOM 891 CD PRO A 59 17.327 -6.151 -4.559 1.00 0.00 C ATOM 0 HA PRO A 59 14.393 -6.562 -3.062 1.00 0.00 H new ATOM 0 HB2 PRO A 59 15.298 -3.979 -3.065 1.00 0.00 H new ATOM 0 HB3 PRO A 59 16.117 -5.173 -2.078 1.00 0.00 H new ATOM 0 HG2 PRO A 59 16.916 -4.047 -4.742 1.00 0.00 H new ATOM 0 HG3 PRO A 59 17.925 -4.460 -3.370 1.00 0.00 H new ATOM 0 HD2 PRO A 59 17.588 -6.079 -5.615 1.00 0.00 H new ATOM 0 HD3 PRO A 59 18.153 -6.657 -4.060 1.00 0.00 H new ATOM 899 N CYS A 60 12.789 -5.582 -4.558 1.00 0.00 N ATOM 900 CA CYS A 60 11.793 -5.084 -5.499 1.00 0.00 C ATOM 901 C CYS A 60 10.689 -4.295 -4.805 1.00 0.00 C ATOM 902 O CYS A 60 10.065 -4.775 -3.859 1.00 0.00 O ATOM 903 CB CYS A 60 11.174 -6.250 -6.271 1.00 0.00 C ATOM 904 SG CYS A 60 12.139 -6.781 -7.704 1.00 0.00 S ATOM 0 H CYS A 60 12.404 -6.028 -3.725 1.00 0.00 H new ATOM 0 HA CYS A 60 12.306 -4.409 -6.185 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.053 -7.096 -5.594 1.00 0.00 H new ATOM 0 HB3 CYS A 60 10.177 -5.963 -6.604 1.00 0.00 H new ATOM 0 HG CYS A 60 11.536 -7.772 -8.290 1.00 0.00 H new ATOM 910 N ILE A 61 10.431 -3.092 -5.310 1.00 0.00 N ATOM 911 CA ILE A 61 9.373 -2.247 -4.771 1.00 0.00 C ATOM 912 C ILE A 61 8.172 -2.281 -5.701 1.00 0.00 C ATOM 913 O ILE A 61 8.326 -2.393 -6.917 1.00 0.00 O ATOM 914 CB ILE A 61 9.814 -0.779 -4.608 1.00 0.00 C ATOM 915 CG1 ILE A 61 10.742 -0.620 -3.404 1.00 0.00 C ATOM 916 CG2 ILE A 61 8.593 0.121 -4.458 1.00 0.00 C ATOM 917 CD1 ILE A 61 12.071 -1.324 -3.568 1.00 0.00 C ATOM 0 H ILE A 61 10.941 -2.681 -6.092 1.00 0.00 H new ATOM 0 HA ILE A 61 9.124 -2.641 -3.786 1.00 0.00 H new ATOM 0 HB ILE A 61 10.364 -0.484 -5.502 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.921 0.441 -3.231 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.242 -1.007 -2.516 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.916 1.156 -4.343 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.965 0.033 -5.344 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.024 -0.181 -3.579 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.678 -1.168 -2.676 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.902 -2.391 -3.710 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.592 -0.920 -4.436 1.00 0.00 H new ATOM 929 N LYS A 62 6.979 -2.183 -5.138 1.00 0.00 N ATOM 930 CA LYS A 62 5.774 -2.204 -5.952 1.00 0.00 C ATOM 931 C LYS A 62 4.733 -1.227 -5.420 1.00 0.00 C ATOM 932 O LYS A 62 4.469 -1.168 -4.218 1.00 0.00 O ATOM 933 CB LYS A 62 5.197 -3.618 -6.015 1.00 0.00 C ATOM 934 CG LYS A 62 6.256 -4.709 -6.021 1.00 0.00 C ATOM 935 CD LYS A 62 6.020 -5.706 -7.143 1.00 0.00 C ATOM 936 CE LYS A 62 4.892 -6.670 -6.806 1.00 0.00 C ATOM 937 NZ LYS A 62 3.560 -6.121 -7.183 1.00 0.00 N ATOM 0 H LYS A 62 6.819 -2.089 -4.135 1.00 0.00 H new ATOM 0 HA LYS A 62 6.044 -1.891 -6.961 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.536 -3.770 -5.162 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.586 -3.712 -6.912 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.243 -4.260 -6.133 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.250 -5.229 -5.063 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.780 -5.171 -8.062 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.935 -6.267 -7.331 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.055 -7.615 -7.325 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.906 -6.886 -5.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.950 -6.892 -7.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.122 -5.673 -6.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.677 -5.414 -7.937 1.00 0.00 H new ATOM 951 N HIS A 63 4.152 -0.456 -6.332 1.00 0.00 N ATOM 952 CA HIS A 63 3.144 0.528 -5.980 1.00 0.00 C ATOM 953 C HIS A 63 1.747 -0.017 -6.255 1.00 0.00 C ATOM 954 O HIS A 63 1.329 -0.132 -7.407 1.00 0.00 O ATOM 955 CB HIS A 63 3.390 1.806 -6.776 1.00 0.00 C ATOM 956 CG HIS A 63 4.843 2.111 -6.929 1.00 0.00 C ATOM 957 ND1 HIS A 63 5.596 2.738 -5.964 1.00 0.00 N ATOM 958 CD2 HIS A 63 5.694 1.838 -7.951 1.00 0.00 C ATOM 959 CE1 HIS A 63 6.852 2.826 -6.415 1.00 0.00 C ATOM 960 NE2 HIS A 63 6.966 2.294 -7.617 1.00 0.00 N ATOM 0 H HIS A 63 4.367 -0.497 -7.328 1.00 0.00 H new ATOM 0 HA HIS A 63 3.213 0.751 -4.915 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.936 1.709 -7.762 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.897 2.641 -6.279 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.427 1.346 -8.875 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.667 3.274 -5.866 1.00 0.00 H new ATOM 0 HE2 HIS A 63 7.811 2.230 -8.184 1.00 0.00 H new ATOM 968 N TYR A 64 1.041 -0.372 -5.190 1.00 0.00 N ATOM 969 CA TYR A 64 -0.300 -0.932 -5.306 1.00 0.00 C ATOM 970 C TYR A 64 -1.377 0.100 -5.021 1.00 0.00 C ATOM 971 O TYR A 64 -1.447 0.644 -3.924 1.00 0.00 O ATOM 972 CB TYR A 64 -0.451 -2.096 -4.332 1.00 0.00 C ATOM 973 CG TYR A 64 0.693 -3.065 -4.392 1.00 0.00 C ATOM 974 CD1 TYR A 64 1.497 -3.129 -5.513 1.00 0.00 C ATOM 975 CD2 TYR A 64 0.957 -3.918 -3.337 1.00 0.00 C ATOM 976 CE1 TYR A 64 2.544 -4.025 -5.586 1.00 0.00 C ATOM 977 CE2 TYR A 64 2.003 -4.817 -3.393 1.00 0.00 C ATOM 978 CZ TYR A 64 2.793 -4.868 -4.523 1.00 0.00 C ATOM 979 OH TYR A 64 3.836 -5.763 -4.589 1.00 0.00 O ATOM 0 H TYR A 64 1.376 -0.282 -4.231 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.427 -1.273 -6.334 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.536 -1.705 -3.318 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.379 -2.625 -4.548 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.303 -2.468 -6.345 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.335 -3.881 -2.455 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.164 -4.066 -6.469 1.00 0.00 H new ATOM 0 HE2 TYR A 64 2.201 -5.475 -2.560 1.00 0.00 H new ATOM 0 HH TYR A 64 3.486 -6.677 -4.548 1.00 0.00 H new ATOM 989 N HIS A 65 -2.241 0.346 -5.997 1.00 0.00 N ATOM 990 CA HIS A 65 -3.324 1.292 -5.800 1.00 0.00 C ATOM 991 C HIS A 65 -4.542 0.584 -5.254 1.00 0.00 C ATOM 992 O HIS A 65 -4.824 -0.558 -5.613 1.00 0.00 O ATOM 993 CB HIS A 65 -3.697 2.027 -7.082 1.00 0.00 C ATOM 994 CG HIS A 65 -3.995 3.461 -6.837 1.00 0.00 C ATOM 995 ND1 HIS A 65 -3.986 4.028 -5.591 1.00 0.00 N ATOM 996 CD2 HIS A 65 -4.317 4.449 -7.699 1.00 0.00 C ATOM 997 CE1 HIS A 65 -4.298 5.317 -5.725 1.00 0.00 C ATOM 998 NE2 HIS A 65 -4.508 5.629 -6.989 1.00 0.00 N ATOM 0 H HIS A 65 -2.213 -0.090 -6.919 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.970 2.034 -5.084 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.879 1.944 -7.798 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.566 1.549 -7.534 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -3.777 3.549 -4.715 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.411 4.340 -8.769 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.370 6.016 -4.904 1.00 0.00 H new ATOM 1006 N ILE A 66 -5.267 1.269 -4.391 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.463 0.693 -3.807 1.00 0.00 C ATOM 1008 C ILE A 66 -7.663 0.987 -4.695 1.00 0.00 C ATOM 1009 O ILE A 66 -8.152 2.106 -4.740 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.721 1.243 -2.387 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.400 1.595 -1.702 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -7.485 0.228 -1.552 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -4.225 0.779 -2.195 1.00 0.00 C ATOM 0 H ILE A 66 -5.052 2.217 -4.081 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.314 -0.384 -3.731 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.323 2.147 -2.476 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.189 2.653 -1.860 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.508 1.449 -0.627 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.657 0.633 -0.555 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.442 0.013 -2.027 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.904 -0.691 -1.475 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.323 1.083 -1.665 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.414 -0.279 -2.012 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.091 0.944 -3.264 1.00 0.00 H new ATOM 1025 N LYS A 67 -8.130 -0.023 -5.407 1.00 0.00 N ATOM 1026 CA LYS A 67 -9.268 0.144 -6.296 1.00 0.00 C ATOM 1027 C LYS A 67 -10.559 0.249 -5.495 1.00 0.00 C ATOM 1028 O LYS A 67 -10.639 -0.260 -4.380 1.00 0.00 O ATOM 1029 CB LYS A 67 -9.345 -1.019 -7.284 1.00 0.00 C ATOM 1030 CG LYS A 67 -10.277 -0.758 -8.456 1.00 0.00 C ATOM 1031 CD LYS A 67 -9.541 -0.108 -9.617 1.00 0.00 C ATOM 1032 CE LYS A 67 -9.550 1.408 -9.505 1.00 0.00 C ATOM 1033 NZ LYS A 67 -10.594 2.023 -10.370 1.00 0.00 N ATOM 0 H LYS A 67 -7.741 -0.966 -5.388 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.136 1.068 -6.858 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.345 -1.229 -7.665 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.679 -1.912 -6.756 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.722 -1.697 -8.785 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.095 -0.113 -8.135 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.512 -0.466 -9.642 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.006 -0.407 -10.557 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.723 1.694 -8.468 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.571 1.798 -9.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.567 3.057 -10.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.415 1.771 -11.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.531 1.671 -10.087 1.00 0.00 H new ATOM 1047 N GLU A 68 -11.561 0.911 -6.075 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.860 1.100 -5.425 1.00 0.00 C ATOM 1049 C GLU A 68 -13.944 0.363 -6.201 1.00 0.00 C ATOM 1050 O GLU A 68 -13.976 0.408 -7.431 1.00 0.00 O ATOM 1051 CB GLU A 68 -13.201 2.594 -5.366 1.00 0.00 C ATOM 1052 CG GLU A 68 -12.787 3.277 -4.069 1.00 0.00 C ATOM 1053 CD GLU A 68 -13.969 3.861 -3.320 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -15.118 3.490 -3.641 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -13.745 4.690 -2.414 1.00 0.00 O ATOM 0 H GLU A 68 -11.497 1.329 -7.003 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.808 0.700 -4.412 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.716 3.099 -6.201 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -14.276 2.716 -5.501 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.275 2.557 -3.430 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.073 4.070 -4.291 1.00 0.00 H new ATOM 1062 N THR A 69 -14.828 -0.321 -5.481 1.00 0.00 N ATOM 1063 CA THR A 69 -15.901 -1.068 -6.121 1.00 0.00 C ATOM 1064 C THR A 69 -17.145 -1.097 -5.243 1.00 0.00 C ATOM 1065 O THR A 69 -17.108 -0.687 -4.082 1.00 0.00 O ATOM 1066 CB THR A 69 -15.444 -2.495 -6.425 1.00 0.00 C ATOM 1067 OG1 THR A 69 -15.993 -3.407 -5.490 1.00 0.00 O ATOM 1068 CG2 THR A 69 -13.940 -2.659 -6.397 1.00 0.00 C ATOM 0 H THR A 69 -14.822 -0.372 -4.462 1.00 0.00 H new ATOM 0 HA THR A 69 -16.152 -0.566 -7.055 1.00 0.00 H new ATOM 0 HB THR A 69 -15.798 -2.704 -7.435 1.00 0.00 H new ATOM 0 HG1 THR A 69 -15.690 -4.315 -5.702 1.00 0.00 H new ATOM 0 HG21 THR A 69 -13.683 -3.694 -6.621 1.00 0.00 H new ATOM 0 HG22 THR A 69 -13.489 -2.004 -7.142 1.00 0.00 H new ATOM 0 HG23 THR A 69 -13.564 -2.397 -5.408 1.00 0.00 H new ATOM 1076 N ASN A 70 -18.242 -1.592 -5.799 1.00 0.00 N ATOM 1077 CA ASN A 70 -19.494 -1.686 -5.061 1.00 0.00 C ATOM 1078 C ASN A 70 -19.623 -3.058 -4.412 1.00 0.00 C ATOM 1079 O ASN A 70 -20.674 -3.694 -4.486 1.00 0.00 O ATOM 1080 CB ASN A 70 -20.683 -1.430 -5.988 1.00 0.00 C ATOM 1081 CG ASN A 70 -22.001 -1.384 -5.238 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -22.250 -2.194 -4.346 1.00 0.00 O ATOM 1083 ND2 ASN A 70 -22.853 -0.430 -5.598 1.00 0.00 N ATOM 0 H ASN A 70 -18.290 -1.935 -6.758 1.00 0.00 H new ATOM 0 HA ASN A 70 -19.491 -0.926 -4.280 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -20.534 -0.487 -6.514 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -20.726 -2.213 -6.745 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -23.755 -0.348 -5.129 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -22.605 0.221 -6.343 1.00 0.00 H new ATOM 1090 N ASP A 71 -18.541 -3.511 -3.782 1.00 0.00 N ATOM 1091 CA ASP A 71 -18.531 -4.811 -3.126 1.00 0.00 C ATOM 1092 C ASP A 71 -19.752 -4.979 -2.232 1.00 0.00 C ATOM 1093 O ASP A 71 -20.801 -4.383 -2.476 1.00 0.00 O ATOM 1094 CB ASP A 71 -17.253 -4.992 -2.306 1.00 0.00 C ATOM 1095 CG ASP A 71 -16.780 -6.432 -2.288 1.00 0.00 C ATOM 1096 OD1 ASP A 71 -16.408 -6.949 -3.363 1.00 0.00 O ATOM 1097 OD2 ASP A 71 -16.781 -7.045 -1.200 1.00 0.00 O ATOM 0 H ASP A 71 -17.663 -2.996 -3.714 1.00 0.00 H new ATOM 0 HA ASP A 71 -18.562 -5.576 -3.902 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -16.467 -4.359 -2.718 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -17.429 -4.657 -1.284 1.00 0.00 H new ATOM 1102 N SER A 72 -19.612 -5.797 -1.196 1.00 0.00 N ATOM 1103 CA SER A 72 -20.710 -6.041 -0.273 1.00 0.00 C ATOM 1104 C SER A 72 -20.266 -5.883 1.178 1.00 0.00 C ATOM 1105 O SER A 72 -20.170 -6.864 1.916 1.00 0.00 O ATOM 1106 CB SER A 72 -21.283 -7.443 -0.490 1.00 0.00 C ATOM 1107 OG SER A 72 -20.247 -8.399 -0.644 1.00 0.00 O ATOM 0 H SER A 72 -18.752 -6.300 -0.976 1.00 0.00 H new ATOM 0 HA SER A 72 -21.482 -5.299 -0.474 1.00 0.00 H new ATOM 0 HB2 SER A 72 -21.912 -7.717 0.357 1.00 0.00 H new ATOM 0 HB3 SER A 72 -21.920 -7.446 -1.375 1.00 0.00 H new ATOM 0 HG SER A 72 -19.677 -8.395 0.153 1.00 0.00 H new ATOM 1113 N PRO A 73 -19.985 -4.642 1.608 1.00 0.00 N ATOM 1114 CA PRO A 73 -20.083 -3.454 0.777 1.00 0.00 C ATOM 1115 C PRO A 73 -18.725 -3.016 0.228 1.00 0.00 C ATOM 1116 O PRO A 73 -18.633 -2.067 -0.549 1.00 0.00 O ATOM 1117 CB PRO A 73 -20.598 -2.431 1.782 1.00 0.00 C ATOM 1118 CG PRO A 73 -19.979 -2.833 3.090 1.00 0.00 C ATOM 1119 CD PRO A 73 -19.551 -4.283 2.961 1.00 0.00 C ATOM 0 HA PRO A 73 -20.708 -3.596 -0.105 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -20.307 -1.419 1.501 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -21.686 -2.445 1.838 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -19.123 -2.199 3.321 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -20.693 -2.714 3.905 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -18.474 -4.397 3.082 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -20.024 -4.911 3.716 1.00 0.00 H new ATOM 1127 N LYS A 74 -17.677 -3.713 0.656 1.00 0.00 N ATOM 1128 CA LYS A 74 -16.311 -3.410 0.234 1.00 0.00 C ATOM 1129 C LYS A 74 -16.271 -2.645 -1.081 1.00 0.00 C ATOM 1130 O LYS A 74 -17.177 -2.745 -1.909 1.00 0.00 O ATOM 1131 CB LYS A 74 -15.501 -4.700 0.119 1.00 0.00 C ATOM 1132 CG LYS A 74 -15.314 -5.414 1.448 1.00 0.00 C ATOM 1133 CD LYS A 74 -15.796 -6.853 1.377 1.00 0.00 C ATOM 1134 CE LYS A 74 -14.842 -7.720 0.570 1.00 0.00 C ATOM 1135 NZ LYS A 74 -15.069 -9.171 0.814 1.00 0.00 N ATOM 0 H LYS A 74 -17.748 -4.500 1.301 1.00 0.00 H new ATOM 0 HA LYS A 74 -15.869 -2.767 0.995 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -15.999 -5.372 -0.580 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -14.523 -4.470 -0.303 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.261 -5.395 1.728 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -15.861 -4.884 2.228 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -15.892 -7.256 2.385 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -16.788 -6.884 0.926 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.967 -7.506 -0.492 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.814 -7.465 0.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.399 -9.728 0.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.925 -9.380 1.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -16.042 -9.420 0.545 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.209 -1.867 -1.252 1.00 0.00 N ATOM 1150 CA ARG A 75 -15.029 -1.063 -2.449 1.00 0.00 C ATOM 1151 C ARG A 75 -13.572 -0.985 -2.864 1.00 0.00 C ATOM 1152 O ARG A 75 -13.253 -1.043 -4.051 1.00 0.00 O ATOM 1153 CB ARG A 75 -15.543 0.349 -2.205 1.00 0.00 C ATOM 1154 CG ARG A 75 -17.020 0.389 -1.909 1.00 0.00 C ATOM 1155 CD ARG A 75 -17.302 0.990 -0.541 1.00 0.00 C ATOM 1156 NE ARG A 75 -16.753 0.169 0.534 1.00 0.00 N ATOM 1157 CZ ARG A 75 -17.471 -0.294 1.553 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -18.762 -0.004 1.647 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -16.895 -1.046 2.481 1.00 0.00 N ATOM 0 H ARG A 75 -14.456 -1.778 -0.570 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.591 -1.543 -3.250 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.998 0.790 -1.371 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -15.336 0.963 -3.082 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -17.529 0.973 -2.675 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -17.428 -0.621 -1.954 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.875 1.991 -0.489 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -18.378 1.095 -0.405 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.760 -0.063 0.502 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -19.207 0.576 0.936 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -19.309 -0.361 2.430 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.902 -1.269 2.413 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -17.445 -1.402 3.263 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.694 -0.798 -1.889 1.00 0.00 N ATOM 1174 CA TYR A 76 -11.282 -0.644 -2.184 1.00 0.00 C ATOM 1175 C TYR A 76 -10.561 -1.976 -2.275 1.00 0.00 C ATOM 1176 O TYR A 76 -10.825 -2.904 -1.518 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.633 0.266 -1.156 1.00 0.00 C ATOM 1178 CG TYR A 76 -11.530 1.413 -0.782 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.752 1.571 -1.413 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -11.168 2.325 0.190 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -13.596 2.602 -1.091 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -12.007 3.372 0.527 1.00 0.00 C ATOM 1183 CZ TYR A 76 -13.224 3.505 -0.117 1.00 0.00 C ATOM 1184 OH TYR A 76 -14.064 4.545 0.213 1.00 0.00 O ATOM 0 H TYR A 76 -12.933 -0.750 -0.899 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.197 -0.183 -3.168 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.388 -0.310 -0.264 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.695 0.653 -1.553 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -13.047 0.866 -2.176 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.218 2.219 0.693 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -14.545 2.706 -1.596 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.714 4.081 1.288 1.00 0.00 H new ATOM 0 HH TYR A 76 -14.293 5.050 -0.595 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.650 -2.035 -3.231 1.00 0.00 N ATOM 1195 CA TYR A 77 -8.852 -3.232 -3.502 1.00 0.00 C ATOM 1196 C TYR A 77 -7.808 -2.916 -4.564 1.00 0.00 C ATOM 1197 O TYR A 77 -8.090 -2.191 -5.516 1.00 0.00 O ATOM 1198 CB TYR A 77 -9.738 -4.349 -4.030 1.00 0.00 C ATOM 1199 CG TYR A 77 -10.015 -4.172 -5.495 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -11.015 -3.306 -5.914 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -9.254 -4.827 -6.460 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -11.262 -3.092 -7.250 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -9.500 -4.618 -7.806 1.00 0.00 C ATOM 1204 CZ TYR A 77 -10.501 -3.750 -8.196 1.00 0.00 C ATOM 1205 OH TYR A 77 -10.743 -3.539 -9.534 1.00 0.00 O ATOM 0 H TYR A 77 -9.437 -1.252 -3.849 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.375 -3.546 -2.574 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.254 -5.311 -3.862 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.678 -4.364 -3.478 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.611 -2.790 -5.176 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.467 -5.502 -6.156 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -12.045 -2.415 -7.557 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.910 -5.133 -8.550 1.00 0.00 H new ATOM 0 HH TYR A 77 -9.901 -3.331 -9.990 1.00 0.00 H new ATOM 1215 N VAL A 78 -6.612 -3.460 -4.419 1.00 0.00 N ATOM 1216 CA VAL A 78 -5.559 -3.211 -5.395 1.00 0.00 C ATOM 1217 C VAL A 78 -5.584 -4.229 -6.529 1.00 0.00 C ATOM 1218 O VAL A 78 -6.038 -3.938 -7.636 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.168 -3.236 -4.738 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -3.095 -2.879 -5.753 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -4.123 -2.295 -3.544 1.00 0.00 C ATOM 0 H VAL A 78 -6.345 -4.070 -3.646 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.750 -2.219 -5.804 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.972 -4.246 -4.378 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.117 -2.901 -5.272 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.114 -3.599 -6.571 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.283 -1.880 -6.145 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.131 -2.327 -3.093 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.339 -1.279 -3.873 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.866 -2.604 -2.809 1.00 0.00 H new ATOM 1231 N ALA A 79 -5.069 -5.413 -6.243 1.00 0.00 N ATOM 1232 CA ALA A 79 -4.993 -6.492 -7.223 1.00 0.00 C ATOM 1233 C ALA A 79 -6.331 -7.198 -7.420 1.00 0.00 C ATOM 1234 O ALA A 79 -6.419 -8.395 -7.151 1.00 0.00 O ATOM 1235 CB ALA A 79 -3.960 -7.510 -6.755 1.00 0.00 C ATOM 0 H ALA A 79 -4.691 -5.657 -5.327 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.710 -6.051 -8.179 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.894 -8.321 -7.480 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.988 -7.026 -6.663 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.258 -7.912 -5.787 1.00 0.00 H new ATOM 1241 N GLU A 80 -7.377 -6.491 -7.880 1.00 0.00 N ATOM 1242 CA GLU A 80 -8.668 -7.160 -8.056 1.00 0.00 C ATOM 1243 C GLU A 80 -8.632 -8.369 -7.158 1.00 0.00 C ATOM 1244 O GLU A 80 -8.994 -9.484 -7.536 1.00 0.00 O ATOM 1245 CB GLU A 80 -8.880 -7.572 -9.516 1.00 0.00 C ATOM 1246 CG GLU A 80 -9.294 -6.420 -10.418 1.00 0.00 C ATOM 1247 CD GLU A 80 -10.096 -6.880 -11.618 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -9.514 -7.540 -12.504 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -11.307 -6.578 -11.674 1.00 0.00 O ATOM 0 H GLU A 80 -7.356 -5.501 -8.126 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.495 -6.497 -7.801 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.958 -8.010 -9.899 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.643 -8.349 -9.559 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.884 -5.707 -9.843 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.403 -5.893 -10.761 1.00 0.00 H new ATOM 1256 N LYS A 81 -8.081 -8.117 -5.985 1.00 0.00 N ATOM 1257 CA LYS A 81 -7.835 -9.132 -4.993 1.00 0.00 C ATOM 1258 C LYS A 81 -8.812 -9.090 -3.823 1.00 0.00 C ATOM 1259 O LYS A 81 -9.627 -9.997 -3.652 1.00 0.00 O ATOM 1260 CB LYS A 81 -6.400 -8.927 -4.515 1.00 0.00 C ATOM 1261 CG LYS A 81 -6.162 -7.611 -3.779 1.00 0.00 C ATOM 1262 CD LYS A 81 -4.710 -7.173 -3.868 1.00 0.00 C ATOM 1263 CE LYS A 81 -3.774 -8.161 -3.189 1.00 0.00 C ATOM 1264 NZ LYS A 81 -3.864 -9.521 -3.785 1.00 0.00 N ATOM 0 H LYS A 81 -7.789 -7.183 -5.696 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.981 -10.116 -5.438 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.128 -9.752 -3.856 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.733 -8.973 -5.376 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.802 -6.837 -4.201 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.445 -7.723 -2.732 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.427 -7.067 -4.915 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.598 -6.192 -3.406 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -2.749 -7.799 -3.266 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.014 -8.215 -2.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.907 -9.881 -3.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.349 -10.159 -3.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.399 -9.475 -4.676 1.00 0.00 H new ATOM 1278 N TYR A 82 -8.710 -8.053 -3.007 1.00 0.00 N ATOM 1279 CA TYR A 82 -9.562 -7.916 -1.842 1.00 0.00 C ATOM 1280 C TYR A 82 -10.059 -6.486 -1.710 1.00 0.00 C ATOM 1281 O TYR A 82 -9.275 -5.568 -1.468 1.00 0.00 O ATOM 1282 CB TYR A 82 -8.794 -8.310 -0.579 1.00 0.00 C ATOM 1283 CG TYR A 82 -7.896 -9.521 -0.737 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -7.099 -9.698 -1.864 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -7.845 -10.488 0.257 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -6.281 -10.803 -1.992 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -7.028 -11.595 0.137 1.00 0.00 C ATOM 1288 CZ TYR A 82 -6.248 -11.749 -0.989 1.00 0.00 C ATOM 1289 OH TYR A 82 -5.434 -12.851 -1.113 1.00 0.00 O ATOM 0 H TYR A 82 -8.042 -7.292 -3.133 1.00 0.00 H new ATOM 0 HA TYR A 82 -10.419 -8.578 -1.964 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -8.186 -7.463 -0.260 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -9.510 -8.507 0.219 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.121 -8.959 -2.651 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -8.455 -10.373 1.141 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.670 -10.926 -2.874 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.000 -12.337 0.922 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.528 -13.418 -0.319 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.360 -6.298 -1.864 1.00 0.00 N ATOM 1300 CA VAL A 83 -11.941 -4.974 -1.754 1.00 0.00 C ATOM 1301 C VAL A 83 -12.430 -4.712 -0.340 1.00 0.00 C ATOM 1302 O VAL A 83 -12.992 -5.594 0.307 1.00 0.00 O ATOM 1303 CB VAL A 83 -13.102 -4.777 -2.739 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -12.635 -5.040 -4.162 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -14.271 -5.675 -2.369 1.00 0.00 C ATOM 0 H VAL A 83 -12.028 -7.042 -2.064 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.154 -4.262 -2.002 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.443 -3.743 -2.680 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.468 -4.897 -4.851 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -11.832 -4.348 -4.415 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.270 -6.064 -4.242 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -15.085 -5.523 -3.077 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -13.953 -6.717 -2.400 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -14.614 -5.430 -1.364 1.00 0.00 H new ATOM 1315 N PHE A 84 -12.208 -3.494 0.137 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.623 -3.117 1.477 1.00 0.00 C ATOM 1317 C PHE A 84 -13.285 -1.746 1.476 1.00 0.00 C ATOM 1318 O PHE A 84 -13.532 -1.163 0.418 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.423 -3.121 2.425 1.00 0.00 C ATOM 1320 CG PHE A 84 -10.642 -4.403 2.387 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -9.771 -4.669 1.343 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -10.783 -5.344 3.394 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -9.054 -5.850 1.302 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -10.071 -6.528 3.359 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.204 -6.783 2.311 1.00 0.00 C ATOM 0 H PHE A 84 -11.743 -2.752 -0.386 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.352 -3.849 1.825 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.762 -2.293 2.168 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -11.772 -2.946 3.443 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -9.651 -3.944 0.551 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.457 -5.150 4.215 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.377 -6.044 0.483 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.191 -7.254 4.149 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.647 -7.708 2.281 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.571 -1.238 2.668 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.207 0.064 2.811 1.00 0.00 C ATOM 1337 C ASP A 85 -13.172 1.159 3.030 1.00 0.00 C ATOM 1338 O ASP A 85 -13.521 2.312 3.283 1.00 0.00 O ATOM 1339 CB ASP A 85 -15.198 0.046 3.978 1.00 0.00 C ATOM 1340 CG ASP A 85 -16.349 1.011 3.773 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -16.115 2.105 3.219 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -17.485 0.671 4.167 1.00 0.00 O ATOM 0 H ASP A 85 -13.372 -1.709 3.551 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.744 0.278 1.887 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -15.591 -0.963 4.102 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -14.674 0.300 4.900 1.00 0.00 H new ATOM 1347 N SER A 86 -11.895 0.798 2.931 1.00 0.00 N ATOM 1348 CA SER A 86 -10.825 1.768 3.123 1.00 0.00 C ATOM 1349 C SER A 86 -9.443 1.119 3.046 1.00 0.00 C ATOM 1350 O SER A 86 -9.273 -0.084 3.307 1.00 0.00 O ATOM 1351 CB SER A 86 -10.990 2.477 4.466 1.00 0.00 C ATOM 1352 OG SER A 86 -11.102 3.879 4.293 1.00 0.00 O ATOM 0 H SER A 86 -11.580 -0.149 2.721 1.00 0.00 H new ATOM 0 HA SER A 86 -10.896 2.495 2.314 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.877 2.098 4.974 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.136 2.254 5.106 1.00 0.00 H new ATOM 0 HG SER A 86 -11.208 4.309 5.167 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.453 1.937 2.696 1.00 0.00 N ATOM 1359 CA ILE A 87 -7.082 1.473 2.590 1.00 0.00 C ATOM 1360 C ILE A 87 -6.646 0.786 3.880 1.00 0.00 C ATOM 1361 O ILE A 87 -6.032 -0.275 3.844 1.00 0.00 O ATOM 1362 CB ILE A 87 -6.097 2.623 2.297 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.236 3.145 0.865 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.673 2.154 2.535 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.484 2.689 0.148 1.00 0.00 C ATOM 0 H ILE A 87 -8.581 2.926 2.482 1.00 0.00 H new ATOM 0 HA ILE A 87 -7.059 0.770 1.757 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.337 3.443 2.974 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.223 4.235 0.887 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.366 2.827 0.290 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.981 2.970 2.326 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.562 1.840 3.573 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.452 1.314 1.877 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.498 3.107 -0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.493 1.601 0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.363 3.030 0.695 1.00 0.00 H new ATOM 1377 N PRO A 88 -6.956 1.381 5.048 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.577 0.807 6.340 1.00 0.00 C ATOM 1379 C PRO A 88 -7.023 -0.639 6.458 1.00 0.00 C ATOM 1380 O PRO A 88 -6.226 -1.514 6.791 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.297 1.685 7.370 1.00 0.00 C ATOM 1382 CG PRO A 88 -8.259 2.521 6.590 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.686 2.643 5.206 1.00 0.00 C ATOM 0 HA PRO A 88 -5.496 0.794 6.481 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.818 1.075 8.108 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.589 2.309 7.915 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.245 2.057 6.563 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.381 3.502 7.048 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.466 2.757 4.453 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.027 3.506 5.115 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.283 -0.903 6.132 1.00 0.00 N ATOM 1392 CA LEU A 89 -8.774 -2.267 6.160 1.00 0.00 C ATOM 1393 C LEU A 89 -8.108 -3.007 5.019 1.00 0.00 C ATOM 1394 O LEU A 89 -7.477 -4.055 5.212 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.296 -2.326 6.010 1.00 0.00 C ATOM 1396 CG LEU A 89 -11.032 -1.011 6.255 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.013 -0.153 5.002 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -12.463 -1.286 6.692 1.00 0.00 C ATOM 0 H LEU A 89 -8.969 -0.202 5.851 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.536 -2.723 7.121 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.531 -2.672 5.003 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.683 -3.073 6.702 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.523 -0.467 7.051 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.542 0.781 5.193 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.981 0.064 4.725 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.502 -0.687 4.188 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.979 -0.341 6.864 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.980 -1.845 5.912 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.457 -1.869 7.613 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.208 -2.416 3.827 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.574 -2.990 2.659 1.00 0.00 C ATOM 1412 C LEU A 90 -6.116 -3.273 2.985 1.00 0.00 C ATOM 1413 O LEU A 90 -5.548 -4.272 2.549 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.680 -2.033 1.472 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.217 -2.606 0.136 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.219 -2.272 -0.957 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -5.838 -2.074 -0.223 1.00 0.00 C ATOM 0 H LEU A 90 -8.718 -1.550 3.655 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.075 -3.919 2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.718 -1.715 1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.093 -1.141 1.690 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.153 -3.690 0.227 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.876 -2.687 -1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.189 -2.699 -0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.312 -1.190 -1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.524 -2.493 -1.179 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.876 -0.987 -0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.125 -2.360 0.550 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.531 -2.385 3.786 1.00 0.00 N ATOM 1430 CA ILE A 91 -4.148 -2.523 4.217 1.00 0.00 C ATOM 1431 C ILE A 91 -4.056 -3.531 5.345 1.00 0.00 C ATOM 1432 O ILE A 91 -3.303 -4.503 5.271 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.563 -1.183 4.709 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.565 -0.150 3.586 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -2.152 -1.387 5.238 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -3.107 -0.709 2.263 1.00 0.00 C ATOM 0 H ILE A 91 -6.001 -1.556 4.151 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.573 -2.859 3.354 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.190 -0.810 5.519 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.572 0.253 3.474 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.918 0.682 3.865 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.751 -0.434 5.582 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.173 -2.093 6.069 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.519 -1.781 4.443 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.132 0.077 1.508 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.089 -1.087 2.360 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.768 -1.522 1.963 1.00 0.00 H new ATOM 1448 N GLN A 92 -4.842 -3.296 6.389 1.00 0.00 N ATOM 1449 CA GLN A 92 -4.867 -4.185 7.534 1.00 0.00 C ATOM 1450 C GLN A 92 -5.093 -5.615 7.071 1.00 0.00 C ATOM 1451 O GLN A 92 -4.644 -6.564 7.715 1.00 0.00 O ATOM 1452 CB GLN A 92 -5.965 -3.767 8.513 1.00 0.00 C ATOM 1453 CG GLN A 92 -5.596 -2.564 9.368 1.00 0.00 C ATOM 1454 CD GLN A 92 -4.591 -1.651 8.692 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -4.936 -0.564 8.227 1.00 0.00 O ATOM 1456 NE2 GLN A 92 -3.339 -2.087 8.636 1.00 0.00 N ATOM 0 H GLN A 92 -5.470 -2.495 6.462 1.00 0.00 H new ATOM 0 HA GLN A 92 -3.907 -4.124 8.047 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.872 -3.539 7.953 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.197 -4.608 9.166 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.498 -1.997 9.599 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -5.186 -2.910 10.317 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -3.097 -2.994 9.034 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.619 -1.515 8.195 1.00 0.00 H new ATOM 1465 N TYR A 93 -5.787 -5.767 5.944 1.00 0.00 N ATOM 1466 CA TYR A 93 -6.055 -7.088 5.405 1.00 0.00 C ATOM 1467 C TYR A 93 -4.774 -7.729 4.868 1.00 0.00 C ATOM 1468 O TYR A 93 -4.448 -8.858 5.235 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.119 -7.009 4.315 1.00 0.00 C ATOM 1470 CG TYR A 93 -6.625 -7.447 2.964 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -6.145 -8.733 2.764 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -6.638 -6.574 1.890 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -5.689 -9.136 1.526 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -6.188 -6.967 0.650 1.00 0.00 C ATOM 1475 CZ TYR A 93 -5.713 -8.250 0.471 1.00 0.00 C ATOM 1476 OH TYR A 93 -5.263 -8.647 -0.764 1.00 0.00 O ATOM 0 H TYR A 93 -6.168 -4.996 5.395 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.432 -7.718 6.211 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -7.968 -7.629 4.601 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.482 -5.984 4.246 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.128 -9.429 3.590 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.007 -5.568 2.027 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.316 -10.139 1.385 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.207 -6.275 -0.179 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.934 -9.223 -1.187 1.00 0.00 H new ATOM 1486 N HIS A 94 -4.029 -7.013 4.017 1.00 0.00 N ATOM 1487 CA HIS A 94 -2.782 -7.560 3.486 1.00 0.00 C ATOM 1488 C HIS A 94 -1.779 -7.750 4.608 1.00 0.00 C ATOM 1489 O HIS A 94 -1.036 -8.729 4.634 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.151 -6.664 2.427 1.00 0.00 C ATOM 1491 CG HIS A 94 -3.068 -6.242 1.320 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -3.274 -6.998 0.185 1.00 0.00 N ATOM 1493 CD2 HIS A 94 -3.804 -5.118 1.159 1.00 0.00 C ATOM 1494 CE1 HIS A 94 -4.096 -6.357 -0.628 1.00 0.00 C ATOM 1495 NE2 HIS A 94 -4.433 -5.214 -0.059 1.00 0.00 N ATOM 0 H HIS A 94 -4.263 -6.076 3.689 1.00 0.00 H new ATOM 0 HA HIS A 94 -3.035 -8.513 3.021 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -1.761 -5.771 2.915 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.299 -7.187 1.992 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -3.882 -4.298 1.858 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -4.434 -6.708 -1.592 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -5.059 -4.515 -0.459 1.00 0.00 H new ATOM 1504 N GLN A 95 -1.754 -6.798 5.531 1.00 0.00 N ATOM 1505 CA GLN A 95 -0.831 -6.857 6.647 1.00 0.00 C ATOM 1506 C GLN A 95 -0.883 -8.237 7.296 1.00 0.00 C ATOM 1507 O GLN A 95 0.099 -8.708 7.868 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.172 -5.786 7.686 1.00 0.00 C ATOM 1509 CG GLN A 95 -0.811 -4.374 7.257 1.00 0.00 C ATOM 1510 CD GLN A 95 -1.123 -3.344 8.323 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -1.740 -3.655 9.342 1.00 0.00 O ATOM 1512 NE2 GLN A 95 -0.701 -2.106 8.092 1.00 0.00 N ATOM 0 H GLN A 95 -2.362 -5.979 5.526 1.00 0.00 H new ATOM 0 HA GLN A 95 0.175 -6.672 6.271 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.240 -5.828 7.900 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.652 -6.017 8.615 1.00 0.00 H new ATOM 0 HG2 GLN A 95 0.251 -4.332 7.016 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.355 -4.125 6.346 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.193 -1.892 7.234 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.885 -1.369 8.773 1.00 0.00 H new ATOM 1521 N TYR A 96 -2.047 -8.873 7.201 1.00 0.00 N ATOM 1522 CA TYR A 96 -2.254 -10.197 7.772 1.00 0.00 C ATOM 1523 C TYR A 96 -2.310 -11.263 6.681 1.00 0.00 C ATOM 1524 O TYR A 96 -1.290 -11.614 6.088 1.00 0.00 O ATOM 1525 CB TYR A 96 -3.550 -10.217 8.585 1.00 0.00 C ATOM 1526 CG TYR A 96 -3.413 -9.601 9.956 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -2.893 -8.324 10.111 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -3.806 -10.294 11.094 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -2.768 -7.753 11.362 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -3.684 -9.730 12.349 1.00 0.00 C ATOM 1531 CZ TYR A 96 -3.165 -8.460 12.478 1.00 0.00 C ATOM 1532 OH TYR A 96 -3.041 -7.894 13.726 1.00 0.00 O ATOM 0 H TYR A 96 -2.866 -8.488 6.730 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.411 -10.421 8.426 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.324 -9.684 8.032 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.887 -11.248 8.691 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -2.581 -7.768 9.239 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -4.213 -11.289 10.996 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -2.361 -6.758 11.466 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -3.994 -10.281 13.224 1.00 0.00 H new ATOM 0 HH TYR A 96 -3.367 -8.522 14.404 1.00 0.00 H new ATOM 1542 N ASN A 97 -3.511 -11.773 6.426 1.00 0.00 N ATOM 1543 CA ASN A 97 -3.709 -12.801 5.410 1.00 0.00 C ATOM 1544 C ASN A 97 -2.578 -12.788 4.387 1.00 0.00 C ATOM 1545 O ASN A 97 -1.499 -13.329 4.633 1.00 0.00 O ATOM 1546 CB ASN A 97 -5.052 -12.596 4.704 1.00 0.00 C ATOM 1547 CG ASN A 97 -6.220 -12.610 5.670 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -6.336 -13.502 6.509 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -7.094 -11.617 5.553 1.00 0.00 N ATOM 0 H ASN A 97 -4.363 -11.490 6.910 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.709 -13.770 5.908 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.037 -11.646 4.170 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.191 -13.379 3.959 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.902 -11.573 6.174 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.957 -10.898 4.842 1.00 0.00 H new ATOM 1556 N GLY A 98 -2.831 -12.169 3.240 1.00 0.00 N ATOM 1557 CA GLY A 98 -1.825 -12.096 2.195 1.00 0.00 C ATOM 1558 C GLY A 98 -2.123 -11.007 1.184 1.00 0.00 C ATOM 1559 O GLY A 98 -1.570 -9.910 1.262 1.00 0.00 O ATOM 0 H GLY A 98 -3.716 -11.715 3.014 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.849 -11.913 2.645 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.765 -13.057 1.684 1.00 0.00 H new ATOM 1563 N GLY A 99 -3.001 -11.309 0.235 1.00 0.00 N ATOM 1564 CA GLY A 99 -3.360 -10.337 -0.781 1.00 0.00 C ATOM 1565 C GLY A 99 -2.302 -10.193 -1.856 1.00 0.00 C ATOM 1566 O GLY A 99 -1.864 -9.085 -2.159 1.00 0.00 O ATOM 0 H GLY A 99 -3.471 -12.210 0.151 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.302 -10.632 -1.242 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.526 -9.369 -0.309 1.00 0.00 H new ATOM 1570 N GLY A 100 -1.894 -11.316 -2.437 1.00 0.00 N ATOM 1571 CA GLY A 100 -0.887 -11.291 -3.484 1.00 0.00 C ATOM 1572 C GLY A 100 -0.009 -10.054 -3.427 1.00 0.00 C ATOM 1573 O GLY A 100 0.435 -9.555 -4.461 1.00 0.00 O ATOM 0 H GLY A 100 -2.243 -12.245 -2.202 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.261 -12.179 -3.401 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.379 -11.337 -4.456 1.00 0.00 H new ATOM 1577 N LEU A 101 0.244 -9.560 -2.220 1.00 0.00 N ATOM 1578 CA LEU A 101 1.079 -8.378 -2.036 1.00 0.00 C ATOM 1579 C LEU A 101 2.500 -8.785 -1.656 1.00 0.00 C ATOM 1580 O LEU A 101 2.701 -9.788 -0.972 1.00 0.00 O ATOM 1581 CB LEU A 101 0.481 -7.468 -0.955 1.00 0.00 C ATOM 1582 CG LEU A 101 -0.185 -6.188 -1.471 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -1.510 -6.505 -2.150 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -0.388 -5.198 -0.330 1.00 0.00 C ATOM 0 H LEU A 101 -0.117 -9.960 -1.354 1.00 0.00 H new ATOM 0 HA LEU A 101 1.114 -7.828 -2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.256 -8.039 -0.390 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.272 -7.191 -0.258 1.00 0.00 H new ATOM 0 HG LEU A 101 0.473 -5.732 -2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.965 -5.582 -2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.336 -7.175 -2.992 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.179 -6.986 -1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.862 -4.294 -0.713 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.025 -5.647 0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.578 -4.944 0.107 1.00 0.00 H new ATOM 1596 N VAL A 102 3.484 -8.011 -2.111 1.00 0.00 N ATOM 1597 CA VAL A 102 4.885 -8.307 -1.820 1.00 0.00 C ATOM 1598 C VAL A 102 5.008 -9.327 -0.695 1.00 0.00 C ATOM 1599 O VAL A 102 5.724 -10.320 -0.817 1.00 0.00 O ATOM 1600 CB VAL A 102 5.669 -7.040 -1.430 1.00 0.00 C ATOM 1601 CG1 VAL A 102 6.021 -6.225 -2.665 1.00 0.00 C ATOM 1602 CG2 VAL A 102 4.876 -6.205 -0.434 1.00 0.00 C ATOM 0 H VAL A 102 3.338 -7.177 -2.680 1.00 0.00 H new ATOM 0 HA VAL A 102 5.311 -8.718 -2.735 1.00 0.00 H new ATOM 0 HB VAL A 102 6.599 -7.345 -0.951 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.574 -5.334 -2.368 1.00 0.00 H new ATOM 0 HG12 VAL A 102 6.635 -6.827 -3.335 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.106 -5.929 -3.179 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.446 -5.314 -0.171 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.927 -5.909 -0.881 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.686 -6.793 0.464 1.00 0.00 H new ATOM 1612 N THR A 103 4.302 -9.072 0.400 1.00 0.00 N ATOM 1613 CA THR A 103 4.325 -9.964 1.550 1.00 0.00 C ATOM 1614 C THR A 103 3.145 -9.681 2.470 1.00 0.00 C ATOM 1615 O THR A 103 3.240 -9.847 3.685 1.00 0.00 O ATOM 1616 CB THR A 103 5.637 -9.808 2.322 1.00 0.00 C ATOM 1617 OG1 THR A 103 5.434 -9.072 3.514 1.00 0.00 O ATOM 1618 CG2 THR A 103 6.719 -9.107 1.529 1.00 0.00 C ATOM 0 H THR A 103 3.706 -8.253 0.515 1.00 0.00 H new ATOM 0 HA THR A 103 4.249 -10.989 1.187 1.00 0.00 H new ATOM 0 HB THR A 103 5.967 -10.824 2.537 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.807 -9.554 4.093 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.622 -9.030 2.135 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.936 -9.678 0.626 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.380 -8.108 1.254 1.00 0.00 H new ATOM 1626 N ARG A 104 2.034 -9.249 1.880 1.00 0.00 N ATOM 1627 CA ARG A 104 0.831 -8.939 2.644 1.00 0.00 C ATOM 1628 C ARG A 104 1.107 -7.829 3.655 1.00 0.00 C ATOM 1629 O ARG A 104 1.428 -8.097 4.812 1.00 0.00 O ATOM 1630 CB ARG A 104 0.321 -10.198 3.353 1.00 0.00 C ATOM 1631 CG ARG A 104 0.860 -10.377 4.765 1.00 0.00 C ATOM 1632 CD ARG A 104 1.031 -11.846 5.115 1.00 0.00 C ATOM 1633 NE ARG A 104 1.159 -12.054 6.555 1.00 0.00 N ATOM 1634 CZ ARG A 104 2.232 -11.700 7.255 1.00 0.00 C ATOM 1635 NH1 ARG A 104 3.263 -11.128 6.649 1.00 0.00 N ATOM 1636 NH2 ARG A 104 2.275 -11.920 8.562 1.00 0.00 N ATOM 0 H ARG A 104 1.943 -9.106 0.874 1.00 0.00 H new ATOM 0 HA ARG A 104 0.062 -8.588 1.957 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -0.768 -10.164 3.393 1.00 0.00 H new ATOM 0 HB3 ARG A 104 0.591 -11.071 2.759 1.00 0.00 H new ATOM 0 HG2 ARG A 104 1.819 -9.866 4.857 1.00 0.00 H new ATOM 0 HG3 ARG A 104 0.180 -9.909 5.477 1.00 0.00 H new ATOM 0 HD2 ARG A 104 0.176 -12.410 4.742 1.00 0.00 H new ATOM 0 HD3 ARG A 104 1.915 -12.238 4.612 1.00 0.00 H new ATOM 0 HE ARG A 104 0.383 -12.494 7.050 1.00 0.00 H new ATOM 0 HH11 ARG A 104 3.234 -10.959 5.644 1.00 0.00 H new ATOM 0 HH12 ARG A 104 4.085 -10.857 7.188 1.00 0.00 H new ATOM 0 HH21 ARG A 104 1.484 -12.361 9.031 1.00 0.00 H new ATOM 0 HH22 ARG A 104 3.099 -11.648 9.098 1.00 0.00 H new ATOM 1650 N LEU A 105 0.992 -6.577 3.211 1.00 0.00 N ATOM 1651 CA LEU A 105 1.246 -5.440 4.090 1.00 0.00 C ATOM 1652 C LEU A 105 1.981 -5.879 5.348 1.00 0.00 C ATOM 1653 O LEU A 105 1.559 -5.597 6.469 1.00 0.00 O ATOM 1654 CB LEU A 105 -0.058 -4.708 4.433 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.514 -3.723 3.363 1.00 0.00 C ATOM 1656 CD1 LEU A 105 0.534 -3.643 2.283 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -1.866 -4.076 2.769 1.00 0.00 C ATOM 0 H LEU A 105 0.727 -6.328 2.258 1.00 0.00 H new ATOM 0 HA LEU A 105 1.889 -4.739 3.558 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.845 -5.445 4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.074 -4.172 5.373 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.637 -2.751 3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.212 -2.939 1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.476 -3.304 2.714 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.673 -4.628 1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.136 -3.338 2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.815 -5.063 2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.619 -4.081 3.557 1.00 0.00 H new ATOM 1669 N ARG A 106 3.095 -6.573 5.141 1.00 0.00 N ATOM 1670 CA ARG A 106 3.914 -7.065 6.240 1.00 0.00 C ATOM 1671 C ARG A 106 4.337 -5.935 7.173 1.00 0.00 C ATOM 1672 O ARG A 106 4.440 -6.131 8.384 1.00 0.00 O ATOM 1673 CB ARG A 106 5.152 -7.782 5.694 1.00 0.00 C ATOM 1674 CG ARG A 106 6.400 -7.577 6.539 1.00 0.00 C ATOM 1675 CD ARG A 106 6.513 -8.631 7.629 1.00 0.00 C ATOM 1676 NE ARG A 106 7.870 -9.161 7.738 1.00 0.00 N ATOM 1677 CZ ARG A 106 8.652 -8.980 8.798 1.00 0.00 C ATOM 1678 NH1 ARG A 106 8.214 -8.285 9.840 1.00 0.00 N ATOM 1679 NH2 ARG A 106 9.874 -9.494 8.818 1.00 0.00 N ATOM 0 H ARG A 106 3.452 -6.808 4.215 1.00 0.00 H new ATOM 0 HA ARG A 106 3.311 -7.768 6.815 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.942 -8.849 5.625 1.00 0.00 H new ATOM 0 HB3 ARG A 106 5.348 -7.430 4.681 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.283 -7.615 5.901 1.00 0.00 H new ATOM 0 HG3 ARG A 106 6.376 -6.585 6.991 1.00 0.00 H new ATOM 0 HD2 ARG A 106 6.215 -8.199 8.584 1.00 0.00 H new ATOM 0 HD3 ARG A 106 5.821 -9.446 7.418 1.00 0.00 H new ATOM 0 HE ARG A 106 8.239 -9.701 6.955 1.00 0.00 H new ATOM 0 HH11 ARG A 106 7.275 -7.888 9.830 1.00 0.00 H new ATOM 0 HH12 ARG A 106 8.817 -8.148 10.651 1.00 0.00 H new ATOM 0 HH21 ARG A 106 10.215 -10.029 8.020 1.00 0.00 H new ATOM 0 HH22 ARG A 106 10.473 -9.354 9.632 1.00 0.00 H new ATOM 1693 N TYR A 107 4.588 -4.753 6.613 1.00 0.00 N ATOM 1694 CA TYR A 107 5.003 -3.616 7.427 1.00 0.00 C ATOM 1695 C TYR A 107 4.939 -2.306 6.658 1.00 0.00 C ATOM 1696 O TYR A 107 5.815 -2.002 5.847 1.00 0.00 O ATOM 1697 CB TYR A 107 6.411 -3.823 7.966 1.00 0.00 C ATOM 1698 CG TYR A 107 6.824 -2.721 8.909 1.00 0.00 C ATOM 1699 CD1 TYR A 107 7.303 -1.507 8.433 1.00 0.00 C ATOM 1700 CD2 TYR A 107 6.706 -2.889 10.279 1.00 0.00 C ATOM 1701 CE1 TYR A 107 7.658 -0.494 9.299 1.00 0.00 C ATOM 1702 CE2 TYR A 107 7.055 -1.882 11.151 1.00 0.00 C ATOM 1703 CZ TYR A 107 7.532 -0.685 10.658 1.00 0.00 C ATOM 1704 OH TYR A 107 7.882 0.323 11.527 1.00 0.00 O ATOM 0 H TYR A 107 4.512 -4.560 5.614 1.00 0.00 H new ATOM 0 HA TYR A 107 4.301 -3.553 8.259 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.464 -4.781 8.483 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.114 -3.871 7.134 1.00 0.00 H new ATOM 0 HD1 TYR A 107 7.399 -1.354 7.368 1.00 0.00 H new ATOM 0 HD2 TYR A 107 6.334 -3.825 10.669 1.00 0.00 H new ATOM 0 HE1 TYR A 107 8.032 0.443 8.914 1.00 0.00 H new ATOM 0 HE2 TYR A 107 6.956 -2.029 12.216 1.00 0.00 H new ATOM 0 HH TYR A 107 7.732 0.027 12.449 1.00 0.00 H new ATOM 1714 N PRO A 108 3.897 -1.508 6.917 1.00 0.00 N ATOM 1715 CA PRO A 108 3.702 -0.211 6.269 1.00 0.00 C ATOM 1716 C PRO A 108 4.901 0.727 6.432 1.00 0.00 C ATOM 1717 O PRO A 108 5.571 0.724 7.464 1.00 0.00 O ATOM 1718 CB PRO A 108 2.477 0.368 6.990 1.00 0.00 C ATOM 1719 CG PRO A 108 2.353 -0.429 8.240 1.00 0.00 C ATOM 1720 CD PRO A 108 2.816 -1.799 7.867 1.00 0.00 C ATOM 0 HA PRO A 108 3.577 -0.320 5.192 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.612 1.427 7.209 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.580 0.281 6.376 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.964 -0.009 9.039 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.324 -0.443 8.599 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.173 -2.359 8.732 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.020 -2.389 7.412 1.00 0.00 H new ATOM 1728 N VAL A 109 5.143 1.544 5.409 1.00 0.00 N ATOM 1729 CA VAL A 109 6.225 2.511 5.419 1.00 0.00 C ATOM 1730 C VAL A 109 5.639 3.910 5.429 1.00 0.00 C ATOM 1731 O VAL A 109 4.840 4.258 4.562 1.00 0.00 O ATOM 1732 CB VAL A 109 7.137 2.363 4.188 1.00 0.00 C ATOM 1733 CG1 VAL A 109 8.385 1.570 4.539 1.00 0.00 C ATOM 1734 CG2 VAL A 109 6.381 1.712 3.039 1.00 0.00 C ATOM 0 H VAL A 109 4.591 1.550 4.552 1.00 0.00 H new ATOM 0 HA VAL A 109 6.826 2.333 6.311 1.00 0.00 H new ATOM 0 HB VAL A 109 7.449 3.357 3.867 1.00 0.00 H new ATOM 0 HG11 VAL A 109 9.017 1.476 3.656 1.00 0.00 H new ATOM 0 HG12 VAL A 109 8.935 2.087 5.326 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.099 0.578 4.888 1.00 0.00 H new ATOM 0 HG21 VAL A 109 7.041 1.615 2.177 1.00 0.00 H new ATOM 0 HG22 VAL A 109 6.036 0.724 3.344 1.00 0.00 H new ATOM 0 HG23 VAL A 109 5.524 2.329 2.772 1.00 0.00 H new ATOM 1744 N CYS A 110 6.007 4.700 6.425 1.00 0.00 N ATOM 1745 CA CYS A 110 5.479 6.045 6.543 1.00 0.00 C ATOM 1746 C CYS A 110 6.603 7.062 6.674 1.00 0.00 C ATOM 1747 O CYS A 110 7.013 7.419 7.779 1.00 0.00 O ATOM 1748 CB CYS A 110 4.531 6.127 7.741 1.00 0.00 C ATOM 1749 SG CYS A 110 4.383 7.781 8.459 1.00 0.00 S ATOM 0 H CYS A 110 6.665 4.434 7.158 1.00 0.00 H new ATOM 0 HA CYS A 110 4.923 6.282 5.636 1.00 0.00 H new ATOM 0 HB2 CYS A 110 3.542 5.788 7.431 1.00 0.00 H new ATOM 0 HB3 CYS A 110 4.877 5.438 8.512 1.00 0.00 H new ATOM 0 HG CYS A 110 5.563 8.316 8.563 1.00 0.00 H new ATOM 1755 N GLY A 111 7.095 7.524 5.531 1.00 0.00 N ATOM 1756 CA GLY A 111 8.168 8.499 5.523 1.00 0.00 C ATOM 1757 C GLY A 111 7.657 9.925 5.573 1.00 0.00 C ATOM 1758 O GLY A 111 6.592 10.189 6.133 1.00 0.00 O ATOM 0 H GLY A 111 6.769 7.240 4.607 1.00 0.00 H new ATOM 0 HA2 GLY A 111 8.823 8.321 6.376 1.00 0.00 H new ATOM 0 HA3 GLY A 111 8.771 8.364 4.625 1.00 0.00 H new HETATM 1762 N NH2 A 112 8.408 10.853 4.992 1.00 0.00 N TER 1765 NH2 A 112