USER MOD reduce.3.24.130724 H: found=0, std=0, add=1041, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1035 hydrogens (27 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 122 HIS : no HE2:sc= 0.211 K(o=0.0033,f=-1.6) USER MOD Set 1.2: A 124 HIS : no HD1:sc= -0.208 X(o=0.0033,f=0.044) USER MOD Set 2.1: A 84 ASN : amide:sc= 1.38 K(o=2.4,f=-2.1) USER MOD Set 2.2: A 87 LYS NZ :NH3+ 173:sc= 0.975 (180deg=0) USER MOD Set 3.1: A 47 GLN : amide:sc= 0.476 K(o=1.5,f=0.58) USER MOD Set 3.2: A 115 GLN : amide:sc= 1.03 K(o=1.5,f=0) USER MOD Set 4.1: A 42 CYS SG : rot -27:sc= -0.0715 USER MOD Set 4.2: A 62 CYS SG : rot 139:sc= 0.492 USER MOD Set 5.1: A 17 GLN : amide:sc= 0.18 K(o=0.53,f=-2.1) USER MOD Set 5.2: A 98 GLN : amide:sc= 0.346 K(o=0.53,f=-1.6) USER MOD Single : A 3 GLN : amide:sc= -0.0883 X(o=-0.088,f=-0.095) USER MOD Single : A 6 SER OG : rot 71:sc= 0.31 USER MOD Single : A 7 GLN :FLIP amide:sc=-0.00796 F(o=-1.3,f=-0.008) USER MOD Single : A 8 HIS : no HD1:sc= 0.748 K(o=0.75,f=-3.5!) USER MOD Single : A 11 TYR OH : rot 118:sc= 0.338 USER MOD Single : A 14 GLN : amide:sc= -0.0279 X(o=-0.028,f=-0.32) USER MOD Single : A 16 LYS NZ :NH3+ -171:sc= 1.27 (180deg=1.16) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -141:sc= 0.569 (180deg=-0.485!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -148:sc= 0.601 (180deg=0.441) USER MOD Single : A 41 THR OG1 : rot 171:sc= 0.0225 USER MOD Single : A 50 THR OG1 : rot 65:sc= 0.517 USER MOD Single : A 54 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.021) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 69 THR OG1 : rot 69:sc= 1.09 USER MOD Single : A 74 LYS NZ :NH3+ -174:sc= 1.19 (180deg=1.15) USER MOD Single : A 78 THR OG1 : rot -42:sc= 0.00873 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 172:sc= 1.82 (180deg=1.8) USER MOD Single : A 93 LYS NZ :NH3+ 148:sc= 0.409 (180deg=0.0716) USER MOD Single : A 96 ASN : amide:sc= 0.668 K(o=0.67,f=0) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0.325 K(o=0.33,f=-2.7!) USER MOD Single : A 106 THR OG1 : rot 74:sc= 0.813 USER MOD Single : A 111 LYS NZ :NH3+ -145:sc= 1.82 (180deg=0.819) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc=-0.00827 K(o=-0.0083,f=-1.2) USER MOD Single : A 114 SER OG : rot 180:sc= 0.075 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 HIS : no HE2:sc= 0.124 K(o=0.12,f=-0.73) USER MOD Single : A 121 HIS : no HE2:sc= -0.322 X(o=-0.32,f=-0.39) USER MOD Single : A 123 HIS :FLIP no HD1:sc= -0.237 F(o=-0.88,f=-0.24) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD ----------------------------------------------------------------- HETATM 1 C1 MYR A 1 -0.087 0.634 1.032 1.00 25.00 C HETATM 2 O1 MYR A 1 -1.285 0.836 1.048 1.00 25.00 O HETATM 3 C2 MYR A 1 0.618 -0.061 -0.124 1.00 25.00 C HETATM 4 C3 MYR A 1 0.428 -1.609 -0.108 1.00 25.00 C HETATM 5 C4 MYR A 1 0.940 -2.258 1.213 1.00 25.00 C HETATM 6 C5 MYR A 1 1.002 -3.815 1.115 1.00 25.00 C HETATM 7 C6 MYR A 1 1.482 -4.496 2.430 1.00 25.00 C HETATM 8 C7 MYR A 1 0.446 -4.409 3.602 1.00 25.00 C HETATM 9 C8 MYR A 1 0.994 -5.122 4.872 1.00 25.00 C HETATM 10 C9 MYR A 1 0.168 -4.874 6.165 1.00 25.00 C HETATM 11 C10 MYR A 1 -1.261 -5.499 6.147 1.00 25.00 C HETATM 12 C11 MYR A 1 -1.878 -5.533 7.576 1.00 25.00 C HETATM 13 C12 MYR A 1 -3.420 -5.334 7.578 1.00 25.00 C HETATM 14 C13 MYR A 1 -3.966 -5.270 9.036 1.00 25.00 C HETATM 15 C14 MYR A 1 -5.412 -4.740 9.083 1.00 25.00 C HETATM 0 H143 MYR A 1 -5.445 -3.735 8.661 1.00 25.00 H new HETATM 0 H142 MYR A 1 -6.060 -5.398 8.504 1.00 25.00 H new HETATM 0 H141 MYR A 1 -5.755 -4.711 10.117 1.00 25.00 H new HETATM 0 H132 MYR A 1 -3.929 -6.264 9.482 1.00 25.00 H new HETATM 0 H131 MYR A 1 -3.323 -4.627 9.637 1.00 25.00 H new HETATM 0 H122 MYR A 1 -3.674 -4.415 7.049 1.00 25.00 H new HETATM 0 H121 MYR A 1 -3.898 -6.153 7.041 1.00 25.00 H new HETATM 0 H112 MYR A 1 -1.640 -6.487 8.046 1.00 25.00 H new HETATM 0 H111 MYR A 1 -1.416 -4.755 8.184 1.00 25.00 H new HETATM 0 H102 MYR A 1 -1.905 -4.922 5.484 1.00 25.00 H new HETATM 0 H101 MYR A 1 -1.213 -6.511 5.744 1.00 25.00 H new HETATM 0 H92 MYR A 1 0.717 -5.278 7.015 1.00 25.00 H new HETATM 0 H91 MYR A 1 0.079 -3.799 6.324 1.00 25.00 H new HETATM 0 H82 MYR A 1 1.032 -6.195 4.682 1.00 25.00 H new HETATM 0 H81 MYR A 1 2.019 -4.792 5.043 1.00 25.00 H new HETATM 0 H72 MYR A 1 0.232 -3.364 3.829 1.00 25.00 H new HETATM 0 H71 MYR A 1 -0.495 -4.868 3.298 1.00 25.00 H new HETATM 0 H62 MYR A 1 1.699 -5.545 2.227 1.00 25.00 H new HETATM 0 H61 MYR A 1 2.416 -4.033 2.748 1.00 25.00 H new HETATM 0 H52 MYR A 1 0.014 -4.196 0.857 1.00 25.00 H new HETATM 0 H51 MYR A 1 1.673 -4.095 0.303 1.00 25.00 H new HETATM 0 H42 MYR A 1 1.931 -1.870 1.447 1.00 25.00 H new HETATM 0 H41 MYR A 1 0.284 -1.972 2.035 1.00 25.00 H new HETATM 0 H32 MYR A 1 -0.628 -1.844 -0.239 1.00 25.00 H new HETATM 0 H31 MYR A 1 0.959 -2.046 -0.954 1.00 25.00 H new HETATM 0 H22 MYR A 1 0.240 0.337 -1.066 1.00 25.00 H new HETATM 0 H21 MYR A 1 1.683 0.170 -0.085 1.00 25.00 H new ATOM 43 N GLY A 2 0.721 1.025 2.038 1.00 25.00 N ATOM 44 CA GLY A 2 0.268 1.705 3.244 1.00 25.00 C ATOM 45 C GLY A 2 -0.136 3.127 2.939 1.00 25.00 C ATOM 46 O GLY A 2 -1.117 3.644 3.483 1.00 25.00 O ATOM 0 HA2 GLY A 2 -0.576 1.167 3.675 1.00 25.00 H new ATOM 0 HA3 GLY A 2 1.063 1.700 3.990 1.00 25.00 H new ATOM 50 N GLN A 3 0.587 3.761 2.028 1.00 25.00 N ATOM 51 CA GLN A 3 0.250 5.120 1.625 1.00 25.00 C ATOM 52 C GLN A 3 -1.105 5.101 0.928 1.00 25.00 C ATOM 53 O GLN A 3 -1.943 5.959 1.162 1.00 25.00 O ATOM 54 CB GLN A 3 1.320 5.683 0.681 1.00 25.00 C ATOM 55 CG GLN A 3 2.703 5.833 1.327 1.00 25.00 C ATOM 56 CD GLN A 3 2.694 6.751 2.533 1.00 25.00 C ATOM 57 OE1 GLN A 3 3.053 6.356 3.632 1.00 25.00 O ATOM 58 NE2 GLN A 3 2.295 7.981 2.331 1.00 25.00 N ATOM 0 H GLN A 3 1.401 3.364 1.558 1.00 25.00 H new ATOM 0 HA GLN A 3 0.206 5.760 2.506 1.00 25.00 H new ATOM 0 HB2 GLN A 3 1.405 5.029 -0.187 1.00 25.00 H new ATOM 0 HB3 GLN A 3 0.993 6.657 0.316 1.00 25.00 H new ATOM 0 HG2 GLN A 3 3.067 4.850 1.627 1.00 25.00 H new ATOM 0 HG3 GLN A 3 3.404 6.220 0.587 1.00 25.00 H new ATOM 0 HE21 GLN A 3 2.002 8.276 1.399 1.00 25.00 H new ATOM 0 HE22 GLN A 3 2.277 8.645 3.105 1.00 25.00 H new ATOM 67 N GLU A 4 -1.330 4.080 0.115 1.00 25.00 N ATOM 68 CA GLU A 4 -2.589 3.932 -0.602 1.00 25.00 C ATOM 69 C GLU A 4 -3.739 3.682 0.376 1.00 25.00 C ATOM 70 O GLU A 4 -4.802 4.285 0.278 1.00 25.00 O ATOM 71 CB GLU A 4 -2.460 2.775 -1.589 1.00 25.00 C ATOM 72 CG GLU A 4 -3.637 2.614 -2.509 1.00 25.00 C ATOM 73 CD GLU A 4 -3.776 3.768 -3.510 1.00 25.00 C ATOM 74 OE1 GLU A 4 -2.784 4.476 -3.771 1.00 25.00 O ATOM 75 OE2 GLU A 4 -4.915 4.006 -3.976 1.00 25.00 O ATOM 0 H GLU A 4 -0.654 3.338 -0.066 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.810 4.851 -1.145 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -1.562 2.923 -2.189 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -2.321 1.850 -1.030 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -3.539 1.676 -3.055 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -4.548 2.543 -1.915 1.00 25.00 H new ATOM 82 N LEU A 5 -3.499 2.833 1.362 1.00 25.00 N ATOM 83 CA LEU A 5 -4.474 2.564 2.414 1.00 25.00 C ATOM 84 C LEU A 5 -4.888 3.830 3.170 1.00 25.00 C ATOM 85 O LEU A 5 -6.066 4.021 3.446 1.00 25.00 O ATOM 86 CB LEU A 5 -3.882 1.545 3.381 1.00 25.00 C ATOM 87 CG LEU A 5 -4.458 0.129 3.290 1.00 25.00 C ATOM 88 CD1 LEU A 5 -4.455 -0.454 1.900 1.00 25.00 C ATOM 89 CD2 LEU A 5 -3.678 -0.778 4.233 1.00 25.00 C ATOM 0 H LEU A 5 -2.628 2.311 1.458 1.00 25.00 H new ATOM 0 HA LEU A 5 -5.377 2.171 1.947 1.00 25.00 H new ATOM 0 HB2 LEU A 5 -2.807 1.492 3.210 1.00 25.00 H new ATOM 0 HB3 LEU A 5 -4.025 1.911 4.398 1.00 25.00 H new ATOM 0 HG LEU A 5 -5.507 0.197 3.577 1.00 25.00 H new ATOM 0 HD11 LEU A 5 -4.879 -1.458 1.926 1.00 25.00 H new ATOM 0 HD12 LEU A 5 -5.052 0.176 1.240 1.00 25.00 H new ATOM 0 HD13 LEU A 5 -3.432 -0.502 1.528 1.00 25.00 H new ATOM 0 HD21 LEU A 5 -4.078 -1.790 4.178 1.00 25.00 H new ATOM 0 HD22 LEU A 5 -2.627 -0.787 3.943 1.00 25.00 H new ATOM 0 HD23 LEU A 5 -3.770 -0.407 5.254 1.00 25.00 H new ATOM 101 N SER A 6 -3.940 4.721 3.437 1.00 25.00 N ATOM 102 CA SER A 6 -4.244 6.028 4.042 1.00 25.00 C ATOM 103 C SER A 6 -5.144 6.918 3.181 1.00 25.00 C ATOM 104 O SER A 6 -5.751 7.858 3.687 1.00 25.00 O ATOM 105 CB SER A 6 -2.950 6.818 4.267 1.00 25.00 C ATOM 106 OG SER A 6 -1.977 6.061 4.954 1.00 25.00 O ATOM 0 H SER A 6 -2.950 4.569 3.246 1.00 25.00 H new ATOM 0 HA SER A 6 -4.764 5.793 4.971 1.00 25.00 H new ATOM 0 HB2 SER A 6 -2.548 7.136 3.305 1.00 25.00 H new ATOM 0 HB3 SER A 6 -3.172 7.722 4.834 1.00 25.00 H new ATOM 0 HG SER A 6 -1.631 5.360 4.363 1.00 25.00 H new ATOM 112 N GLN A 7 -5.195 6.654 1.883 1.00 25.00 N ATOM 113 CA GLN A 7 -5.955 7.484 0.944 1.00 25.00 C ATOM 114 C GLN A 7 -7.323 6.854 0.740 1.00 25.00 C ATOM 115 O GLN A 7 -8.274 7.504 0.316 1.00 25.00 O ATOM 116 CB GLN A 7 -5.206 7.558 -0.394 1.00 25.00 C ATOM 117 CG GLN A 7 -3.846 8.279 -0.289 1.00 25.00 C ATOM 118 CD GLN A 7 -2.878 7.972 -1.435 1.00 25.00 C ATOM 119 OE1 GLN A 7 -3.305 7.192 -2.397 1.00 25.00 O flip ATOM 120 NE2 GLN A 7 -1.749 8.438 -1.427 1.00 25.00 N flip ATOM 0 H GLN A 7 -4.716 5.865 1.448 1.00 25.00 H new ATOM 0 HA GLN A 7 -6.070 8.493 1.339 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -5.046 6.548 -0.770 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -5.829 8.075 -1.124 1.00 25.00 H new ATOM 0 HG2 GLN A 7 -4.020 9.354 -0.255 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -3.374 8.002 0.654 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -1.452 9.042 -0.661 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -1.103 8.223 -2.187 1.00 25.00 H new ATOM 129 N HIS A 8 -7.413 5.575 1.066 1.00 25.00 N ATOM 130 CA HIS A 8 -8.657 4.827 0.938 1.00 25.00 C ATOM 131 C HIS A 8 -9.484 5.019 2.193 1.00 25.00 C ATOM 132 O HIS A 8 -9.412 4.233 3.129 1.00 25.00 O ATOM 133 CB HIS A 8 -8.360 3.348 0.698 1.00 25.00 C ATOM 134 CG HIS A 8 -7.970 3.044 -0.714 1.00 25.00 C ATOM 135 ND1 HIS A 8 -8.482 1.970 -1.451 1.00 25.00 N ATOM 136 CD2 HIS A 8 -7.118 3.667 -1.567 1.00 25.00 C ATOM 137 CE1 HIS A 8 -7.933 1.985 -2.662 1.00 25.00 C ATOM 138 NE2 HIS A 8 -7.116 2.996 -2.745 1.00 25.00 N ATOM 0 H HIS A 8 -6.631 5.027 1.425 1.00 25.00 H new ATOM 0 HA HIS A 8 -9.223 5.197 0.083 1.00 25.00 H new ATOM 0 HB2 HIS A 8 -7.558 3.033 1.365 1.00 25.00 H new ATOM 0 HB3 HIS A 8 -9.240 2.761 0.959 1.00 25.00 H new ATOM 0 HD2 HIS A 8 -6.538 4.550 -1.344 1.00 25.00 H new ATOM 0 HE1 HIS A 8 -8.132 1.274 -3.450 1.00 25.00 H new ATOM 0 HE2 HIS A 8 -6.563 3.243 -3.566 1.00 25.00 H new ATOM 146 N GLU A 9 -10.277 6.076 2.185 1.00 25.00 N ATOM 147 CA GLU A 9 -11.133 6.463 3.313 1.00 25.00 C ATOM 148 C GLU A 9 -11.926 5.308 3.944 1.00 25.00 C ATOM 149 O GLU A 9 -12.011 5.220 5.161 1.00 25.00 O ATOM 150 CB GLU A 9 -12.113 7.573 2.882 1.00 25.00 C ATOM 151 CG GLU A 9 -12.275 7.765 1.355 1.00 25.00 C ATOM 152 CD GLU A 9 -12.797 6.513 0.658 1.00 25.00 C ATOM 153 OE1 GLU A 9 -13.885 6.042 1.011 1.00 25.00 O ATOM 154 OE2 GLU A 9 -12.067 5.936 -0.176 1.00 25.00 O ATOM 0 H GLU A 9 -10.352 6.705 1.386 1.00 25.00 H new ATOM 0 HA GLU A 9 -10.447 6.819 4.082 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -13.092 7.355 3.309 1.00 25.00 H new ATOM 0 HB3 GLU A 9 -11.780 8.516 3.315 1.00 25.00 H new ATOM 0 HG2 GLU A 9 -12.959 8.593 1.167 1.00 25.00 H new ATOM 0 HG3 GLU A 9 -11.313 8.042 0.923 1.00 25.00 H new ATOM 161 N ARG A 10 -12.463 4.403 3.136 1.00 25.00 N ATOM 162 CA ARG A 10 -13.215 3.251 3.661 1.00 25.00 C ATOM 163 C ARG A 10 -12.372 2.346 4.561 1.00 25.00 C ATOM 164 O ARG A 10 -12.865 1.835 5.565 1.00 25.00 O ATOM 165 CB ARG A 10 -13.788 2.438 2.499 1.00 25.00 C ATOM 166 CG ARG A 10 -15.122 2.979 1.980 1.00 25.00 C ATOM 167 CD ARG A 10 -15.296 2.701 0.493 1.00 25.00 C ATOM 168 NE ARG A 10 -14.461 3.614 -0.305 1.00 25.00 N ATOM 169 CZ ARG A 10 -14.200 3.497 -1.600 1.00 25.00 C ATOM 170 NH1 ARG A 10 -14.688 2.526 -2.331 1.00 25.00 N ATOM 171 NH2 ARG A 10 -13.428 4.380 -2.164 1.00 25.00 N ATOM 0 H ARG A 10 -12.397 4.436 2.119 1.00 25.00 H new ATOM 0 HA ARG A 10 -14.019 3.650 4.279 1.00 25.00 H new ATOM 0 HB2 ARG A 10 -13.066 2.427 1.682 1.00 25.00 H new ATOM 0 HB3 ARG A 10 -13.923 1.405 2.819 1.00 25.00 H new ATOM 0 HG2 ARG A 10 -15.942 2.523 2.535 1.00 25.00 H new ATOM 0 HG3 ARG A 10 -15.175 4.053 2.159 1.00 25.00 H new ATOM 0 HD2 ARG A 10 -15.024 1.668 0.276 1.00 25.00 H new ATOM 0 HD3 ARG A 10 -16.343 2.820 0.215 1.00 25.00 H new ATOM 0 HE ARG A 10 -14.046 4.408 0.182 1.00 25.00 H new ATOM 0 HH11 ARG A 10 -15.294 1.823 -1.907 1.00 25.00 H new ATOM 0 HH12 ARG A 10 -14.462 2.473 -3.324 1.00 25.00 H new ATOM 0 HH21 ARG A 10 -13.037 5.143 -1.611 1.00 25.00 H new ATOM 0 HH22 ARG A 10 -13.214 4.309 -3.159 1.00 25.00 H new ATOM 185 N TYR A 11 -11.097 2.178 4.246 1.00 25.00 N ATOM 186 CA TYR A 11 -10.213 1.394 5.093 1.00 25.00 C ATOM 187 C TYR A 11 -9.832 2.210 6.326 1.00 25.00 C ATOM 188 O TYR A 11 -9.774 1.693 7.450 1.00 25.00 O ATOM 189 CB TYR A 11 -8.964 1.019 4.309 1.00 25.00 C ATOM 190 CG TYR A 11 -7.909 0.424 5.182 1.00 25.00 C ATOM 191 CD1 TYR A 11 -7.961 -0.929 5.560 1.00 25.00 C ATOM 192 CD2 TYR A 11 -6.852 1.217 5.661 1.00 25.00 C ATOM 193 CE1 TYR A 11 -6.976 -1.475 6.405 1.00 25.00 C ATOM 194 CE2 TYR A 11 -5.867 0.667 6.493 1.00 25.00 C ATOM 195 CZ TYR A 11 -5.939 -0.678 6.862 1.00 25.00 C ATOM 196 OH TYR A 11 -4.985 -1.219 7.679 1.00 25.00 O ATOM 0 H TYR A 11 -10.654 2.571 3.416 1.00 25.00 H new ATOM 0 HA TYR A 11 -10.721 0.484 5.412 1.00 25.00 H new ATOM 0 HB2 TYR A 11 -9.228 0.309 3.525 1.00 25.00 H new ATOM 0 HB3 TYR A 11 -8.567 1.906 3.815 1.00 25.00 H new ATOM 0 HD1 TYR A 11 -8.764 -1.555 5.199 1.00 25.00 H new ATOM 0 HD2 TYR A 11 -6.798 2.260 5.385 1.00 25.00 H new ATOM 0 HE1 TYR A 11 -7.029 -2.514 6.696 1.00 25.00 H new ATOM 0 HE2 TYR A 11 -5.054 1.282 6.848 1.00 25.00 H new ATOM 0 HH TYR A 11 -4.110 -1.163 7.241 1.00 25.00 H new ATOM 206 N VAL A 12 -9.611 3.501 6.115 1.00 25.00 N ATOM 207 CA VAL A 12 -9.265 4.419 7.198 1.00 25.00 C ATOM 208 C VAL A 12 -10.370 4.410 8.259 1.00 25.00 C ATOM 209 O VAL A 12 -10.068 4.449 9.438 1.00 25.00 O ATOM 210 CB VAL A 12 -9.020 5.870 6.648 1.00 25.00 C ATOM 211 CG1 VAL A 12 -8.722 6.868 7.773 1.00 25.00 C ATOM 212 CG2 VAL A 12 -7.836 5.875 5.675 1.00 25.00 C ATOM 0 H VAL A 12 -9.665 3.941 5.196 1.00 25.00 H new ATOM 0 HA VAL A 12 -8.336 4.084 7.660 1.00 25.00 H new ATOM 0 HB VAL A 12 -9.936 6.174 6.141 1.00 25.00 H new ATOM 0 HG11 VAL A 12 -8.559 7.858 7.347 1.00 25.00 H new ATOM 0 HG12 VAL A 12 -9.567 6.903 8.461 1.00 25.00 H new ATOM 0 HG13 VAL A 12 -7.828 6.553 8.311 1.00 25.00 H new ATOM 0 HG21 VAL A 12 -7.677 6.886 5.301 1.00 25.00 H new ATOM 0 HG22 VAL A 12 -6.939 5.534 6.192 1.00 25.00 H new ATOM 0 HG23 VAL A 12 -8.049 5.208 4.839 1.00 25.00 H new ATOM 222 N GLU A 13 -11.632 4.288 7.862 1.00 25.00 N ATOM 223 CA GLU A 13 -12.748 4.237 8.822 1.00 25.00 C ATOM 224 C GLU A 13 -12.589 3.122 9.858 1.00 25.00 C ATOM 225 O GLU A 13 -12.807 3.334 11.056 1.00 25.00 O ATOM 226 CB GLU A 13 -14.084 4.037 8.090 1.00 25.00 C ATOM 227 CG GLU A 13 -14.592 5.273 7.354 1.00 25.00 C ATOM 228 CD GLU A 13 -15.317 6.241 8.276 1.00 25.00 C ATOM 229 OE1 GLU A 13 -14.687 6.720 9.245 1.00 25.00 O ATOM 230 OE2 GLU A 13 -16.479 6.579 8.007 1.00 25.00 O ATOM 0 H GLU A 13 -11.916 4.222 6.885 1.00 25.00 H new ATOM 0 HA GLU A 13 -12.739 5.193 9.345 1.00 25.00 H new ATOM 0 HB2 GLU A 13 -13.973 3.223 7.374 1.00 25.00 H new ATOM 0 HB3 GLU A 13 -14.837 3.725 8.813 1.00 25.00 H new ATOM 0 HG2 GLU A 13 -13.751 5.784 6.884 1.00 25.00 H new ATOM 0 HG3 GLU A 13 -15.265 4.965 6.554 1.00 25.00 H new ATOM 237 N GLN A 14 -12.169 1.945 9.423 1.00 25.00 N ATOM 238 CA GLN A 14 -11.961 0.843 10.358 1.00 25.00 C ATOM 239 C GLN A 14 -10.751 1.119 11.235 1.00 25.00 C ATOM 240 O GLN A 14 -10.770 0.863 12.440 1.00 25.00 O ATOM 241 CB GLN A 14 -11.781 -0.478 9.612 1.00 25.00 C ATOM 242 CG GLN A 14 -13.055 -0.953 8.927 1.00 25.00 C ATOM 243 CD GLN A 14 -14.221 -1.058 9.896 1.00 25.00 C ATOM 244 OE1 GLN A 14 -15.217 -0.376 9.753 1.00 25.00 O ATOM 245 NE2 GLN A 14 -14.087 -1.890 10.895 1.00 25.00 N ATOM 0 H GLN A 14 -11.968 1.726 8.447 1.00 25.00 H new ATOM 0 HA GLN A 14 -12.845 0.761 10.990 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -10.995 -0.363 8.866 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -11.446 -1.242 10.313 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -13.313 -0.263 8.124 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -12.878 -1.925 8.467 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -13.237 -2.447 10.984 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -14.832 -1.982 11.585 1.00 25.00 H new ATOM 254 N LEU A 15 -9.706 1.687 10.659 1.00 25.00 N ATOM 255 CA LEU A 15 -8.523 2.013 11.444 1.00 25.00 C ATOM 256 C LEU A 15 -8.750 3.179 12.410 1.00 25.00 C ATOM 257 O LEU A 15 -8.061 3.265 13.416 1.00 25.00 O ATOM 258 CB LEU A 15 -7.316 2.303 10.556 1.00 25.00 C ATOM 259 CG LEU A 15 -6.503 1.128 9.987 1.00 25.00 C ATOM 260 CD1 LEU A 15 -5.141 1.691 9.582 1.00 25.00 C ATOM 261 CD2 LEU A 15 -6.285 -0.035 10.965 1.00 25.00 C ATOM 0 H LEU A 15 -9.649 1.929 9.670 1.00 25.00 H new ATOM 0 HA LEU A 15 -8.316 1.125 12.042 1.00 25.00 H new ATOM 0 HB2 LEU A 15 -7.665 2.899 9.713 1.00 25.00 H new ATOM 0 HB3 LEU A 15 -6.631 2.929 11.128 1.00 25.00 H new ATOM 0 HG LEU A 15 -7.069 0.708 9.155 1.00 25.00 H new ATOM 0 HD11 LEU A 15 -4.525 0.892 9.170 1.00 25.00 H new ATOM 0 HD12 LEU A 15 -5.278 2.468 8.830 1.00 25.00 H new ATOM 0 HD13 LEU A 15 -4.648 2.116 10.457 1.00 25.00 H new ATOM 0 HD21 LEU A 15 -5.703 -0.816 10.477 1.00 25.00 H new ATOM 0 HD22 LEU A 15 -5.747 0.324 11.843 1.00 25.00 H new ATOM 0 HD23 LEU A 15 -7.250 -0.439 11.271 1.00 25.00 H new ATOM 273 N LYS A 16 -9.715 4.055 12.148 1.00 25.00 N ATOM 274 CA LYS A 16 -10.029 5.144 13.091 1.00 25.00 C ATOM 275 C LYS A 16 -10.449 4.516 14.402 1.00 25.00 C ATOM 276 O LYS A 16 -10.149 5.032 15.470 1.00 25.00 O ATOM 277 CB LYS A 16 -11.178 6.030 12.592 1.00 25.00 C ATOM 278 CG LYS A 16 -10.827 6.993 11.464 1.00 25.00 C ATOM 279 CD LYS A 16 -12.089 7.710 10.998 1.00 25.00 C ATOM 280 CE LYS A 16 -11.885 8.445 9.671 1.00 25.00 C ATOM 281 NZ LYS A 16 -13.187 9.034 9.180 1.00 25.00 N ATOM 0 H LYS A 16 -10.290 4.041 11.306 1.00 25.00 H new ATOM 0 HA LYS A 16 -9.144 5.771 13.198 1.00 25.00 H new ATOM 0 HB2 LYS A 16 -11.990 5.385 12.255 1.00 25.00 H new ATOM 0 HB3 LYS A 16 -11.559 6.608 13.434 1.00 25.00 H new ATOM 0 HG2 LYS A 16 -10.089 7.718 11.807 1.00 25.00 H new ATOM 0 HG3 LYS A 16 -10.377 6.449 10.634 1.00 25.00 H new ATOM 0 HD2 LYS A 16 -12.896 6.986 10.889 1.00 25.00 H new ATOM 0 HD3 LYS A 16 -12.402 8.423 11.761 1.00 25.00 H new ATOM 0 HE2 LYS A 16 -11.147 9.237 9.798 1.00 25.00 H new ATOM 0 HE3 LYS A 16 -11.488 7.756 8.925 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 -13.062 9.394 8.212 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 -13.924 8.300 9.184 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 -13.473 9.814 9.805 1.00 25.00 H new ATOM 295 N GLN A 17 -11.136 3.391 14.312 1.00 25.00 N ATOM 296 CA GLN A 17 -11.571 2.663 15.494 1.00 25.00 C ATOM 297 C GLN A 17 -10.389 1.875 16.071 1.00 25.00 C ATOM 298 O GLN A 17 -10.156 1.878 17.275 1.00 25.00 O ATOM 299 CB GLN A 17 -12.707 1.701 15.120 1.00 25.00 C ATOM 300 CG GLN A 17 -13.920 2.386 14.476 1.00 25.00 C ATOM 301 CD GLN A 17 -14.885 1.388 13.869 1.00 25.00 C ATOM 302 OE1 GLN A 17 -15.425 0.533 14.557 1.00 25.00 O ATOM 303 NE2 GLN A 17 -15.083 1.479 12.580 1.00 25.00 N ATOM 0 H GLN A 17 -11.406 2.959 13.429 1.00 25.00 H new ATOM 0 HA GLN A 17 -11.934 3.368 16.242 1.00 25.00 H new ATOM 0 HB2 GLN A 17 -12.320 0.949 14.432 1.00 25.00 H new ATOM 0 HB3 GLN A 17 -13.034 1.175 16.017 1.00 25.00 H new ATOM 0 HG2 GLN A 17 -14.440 2.981 15.227 1.00 25.00 H new ATOM 0 HG3 GLN A 17 -13.578 3.075 13.703 1.00 25.00 H new ATOM 0 HE21 GLN A 17 -14.613 2.207 12.042 1.00 25.00 H new ATOM 0 HE22 GLN A 17 -15.707 0.822 12.112 1.00 25.00 H new ATOM 312 N ALA A 18 -9.650 1.194 15.203 1.00 25.00 N ATOM 313 CA ALA A 18 -8.558 0.322 15.636 1.00 25.00 C ATOM 314 C ALA A 18 -7.358 1.049 16.283 1.00 25.00 C ATOM 315 O ALA A 18 -6.870 0.611 17.325 1.00 25.00 O ATOM 316 CB ALA A 18 -8.095 -0.531 14.462 1.00 25.00 C ATOM 0 H ALA A 18 -9.785 1.227 14.193 1.00 25.00 H new ATOM 0 HA ALA A 18 -8.968 -0.300 16.432 1.00 25.00 H new ATOM 0 HB1 ALA A 18 -7.281 -1.181 14.783 1.00 25.00 H new ATOM 0 HB2 ALA A 18 -8.926 -1.139 14.104 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -7.746 0.116 13.657 1.00 25.00 H new ATOM 322 N LEU A 19 -6.894 2.152 15.699 1.00 25.00 N ATOM 323 CA LEU A 19 -5.760 2.898 16.275 1.00 25.00 C ATOM 324 C LEU A 19 -6.169 3.373 17.675 1.00 25.00 C ATOM 325 O LEU A 19 -5.385 3.310 18.624 1.00 25.00 O ATOM 326 CB LEU A 19 -5.351 4.118 15.403 1.00 25.00 C ATOM 327 CG LEU A 19 -4.148 3.951 14.436 1.00 25.00 C ATOM 328 CD1 LEU A 19 -4.523 3.325 13.091 1.00 25.00 C ATOM 329 CD2 LEU A 19 -3.462 5.304 14.133 1.00 25.00 C ATOM 0 H LEU A 19 -7.274 2.550 14.840 1.00 25.00 H new ATOM 0 HA LEU A 19 -4.894 2.238 16.319 1.00 25.00 H new ATOM 0 HB2 LEU A 19 -6.218 4.411 14.810 1.00 25.00 H new ATOM 0 HB3 LEU A 19 -5.128 4.948 16.073 1.00 25.00 H new ATOM 0 HG LEU A 19 -3.472 3.279 14.966 1.00 25.00 H new ATOM 0 HD11 LEU A 19 -3.632 3.240 12.468 1.00 25.00 H new ATOM 0 HD12 LEU A 19 -4.946 2.334 13.256 1.00 25.00 H new ATOM 0 HD13 LEU A 19 -5.258 3.954 12.589 1.00 25.00 H new ATOM 0 HD21 LEU A 19 -2.625 5.144 13.453 1.00 25.00 H new ATOM 0 HD22 LEU A 19 -4.181 5.981 13.671 1.00 25.00 H new ATOM 0 HD23 LEU A 19 -3.096 5.742 15.061 1.00 25.00 H new ATOM 341 N LYS A 20 -7.417 3.807 17.810 1.00 25.00 N ATOM 342 CA LYS A 20 -7.923 4.275 19.103 1.00 25.00 C ATOM 343 C LYS A 20 -8.060 3.163 20.129 1.00 25.00 C ATOM 344 O LYS A 20 -7.643 3.335 21.264 1.00 25.00 O ATOM 345 CB LYS A 20 -9.293 4.935 18.946 1.00 25.00 C ATOM 346 CG LYS A 20 -9.261 6.314 18.317 1.00 25.00 C ATOM 347 CD LYS A 20 -10.680 6.861 18.215 1.00 25.00 C ATOM 348 CE LYS A 20 -10.726 8.152 17.415 1.00 25.00 C ATOM 349 NZ LYS A 20 -12.138 8.666 17.318 1.00 25.00 N ATOM 0 H LYS A 20 -8.095 3.846 17.049 1.00 25.00 H new ATOM 0 HA LYS A 20 -7.183 4.991 19.461 1.00 25.00 H new ATOM 0 HB2 LYS A 20 -9.926 4.288 18.339 1.00 25.00 H new ATOM 0 HB3 LYS A 20 -9.761 5.009 19.928 1.00 25.00 H new ATOM 0 HG2 LYS A 20 -8.644 6.984 18.916 1.00 25.00 H new ATOM 0 HG3 LYS A 20 -8.808 6.263 17.327 1.00 25.00 H new ATOM 0 HD2 LYS A 20 -11.324 6.118 17.745 1.00 25.00 H new ATOM 0 HD3 LYS A 20 -11.075 7.038 19.215 1.00 25.00 H new ATOM 0 HE2 LYS A 20 -10.092 8.902 17.888 1.00 25.00 H new ATOM 0 HE3 LYS A 20 -10.326 7.981 16.416 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 -12.149 9.549 16.768 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 -12.734 7.956 16.846 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 -12.507 8.849 18.273 1.00 25.00 H new ATOM 363 N THR A 21 -8.675 2.049 19.759 1.00 25.00 N ATOM 364 CA THR A 21 -8.968 0.996 20.740 1.00 25.00 C ATOM 365 C THR A 21 -7.713 0.279 21.227 1.00 25.00 C ATOM 366 O THR A 21 -7.693 -0.250 22.331 1.00 25.00 O ATOM 367 CB THR A 21 -10.012 -0.032 20.206 1.00 25.00 C ATOM 368 OG1 THR A 21 -10.581 -0.741 21.308 1.00 25.00 O ATOM 369 CG2 THR A 21 -9.403 -1.049 19.252 1.00 25.00 C ATOM 0 H THR A 21 -8.979 1.846 18.807 1.00 25.00 H new ATOM 0 HA THR A 21 -9.406 1.507 21.597 1.00 25.00 H new ATOM 0 HB THR A 21 -10.766 0.535 19.660 1.00 25.00 H new ATOM 0 HG1 THR A 21 -11.239 -1.387 20.977 1.00 25.00 H new ATOM 0 HG21 THR A 21 -10.176 -1.738 18.913 1.00 25.00 H new ATOM 0 HG22 THR A 21 -8.976 -0.532 18.393 1.00 25.00 H new ATOM 0 HG23 THR A 21 -8.620 -1.607 19.766 1.00 25.00 H new ATOM 377 N ARG A 22 -6.641 0.298 20.439 1.00 25.00 N ATOM 378 CA ARG A 22 -5.379 -0.289 20.899 1.00 25.00 C ATOM 379 C ARG A 22 -4.698 0.676 21.860 1.00 25.00 C ATOM 380 O ARG A 22 -3.875 0.277 22.672 1.00 25.00 O ATOM 381 CB ARG A 22 -4.452 -0.607 19.718 1.00 25.00 C ATOM 382 CG ARG A 22 -3.842 -2.015 19.771 1.00 25.00 C ATOM 383 CD ARG A 22 -2.694 -2.126 20.787 1.00 25.00 C ATOM 384 NE ARG A 22 -2.712 -3.416 21.488 1.00 25.00 N ATOM 385 CZ ARG A 22 -3.302 -3.661 22.651 1.00 25.00 C ATOM 386 NH1 ARG A 22 -3.925 -2.734 23.342 1.00 25.00 N ATOM 387 NH2 ARG A 22 -3.261 -4.870 23.125 1.00 25.00 N ATOM 0 H ARG A 22 -6.615 0.701 19.503 1.00 25.00 H new ATOM 0 HA ARG A 22 -5.595 -1.226 21.412 1.00 25.00 H new ATOM 0 HB2 ARG A 22 -5.012 -0.498 18.789 1.00 25.00 H new ATOM 0 HB3 ARG A 22 -3.647 0.127 19.692 1.00 25.00 H new ATOM 0 HG2 ARG A 22 -4.620 -2.734 20.028 1.00 25.00 H new ATOM 0 HG3 ARG A 22 -3.473 -2.284 18.781 1.00 25.00 H new ATOM 0 HD2 ARG A 22 -1.740 -2.004 20.273 1.00 25.00 H new ATOM 0 HD3 ARG A 22 -2.771 -1.316 21.513 1.00 25.00 H new ATOM 0 HE ARG A 22 -2.227 -4.194 21.041 1.00 25.00 H new ATOM 0 HH11 ARG A 22 -3.970 -1.778 22.989 1.00 25.00 H new ATOM 0 HH12 ARG A 22 -4.364 -2.970 24.232 1.00 25.00 H new ATOM 0 HH21 ARG A 22 -2.783 -5.606 22.605 1.00 25.00 H new ATOM 0 HH22 ARG A 22 -3.707 -5.083 24.017 1.00 25.00 H new ATOM 401 N GLY A 23 -5.033 1.952 21.744 1.00 25.00 N ATOM 402 CA GLY A 23 -4.401 2.974 22.560 1.00 25.00 C ATOM 403 C GLY A 23 -3.054 3.359 21.985 1.00 25.00 C ATOM 404 O GLY A 23 -2.227 3.971 22.659 1.00 25.00 O ATOM 0 H GLY A 23 -5.737 2.302 21.094 1.00 25.00 H new ATOM 0 HA2 GLY A 23 -5.044 3.853 22.614 1.00 25.00 H new ATOM 0 HA3 GLY A 23 -4.276 2.607 23.579 1.00 25.00 H new ATOM 408 N VAL A 24 -2.823 2.990 20.730 1.00 25.00 N ATOM 409 CA VAL A 24 -1.557 3.277 20.064 1.00 25.00 C ATOM 410 C VAL A 24 -1.612 4.717 19.524 1.00 25.00 C ATOM 411 O VAL A 24 -2.150 5.026 18.460 1.00 25.00 O ATOM 412 CB VAL A 24 -1.195 2.177 19.000 1.00 25.00 C ATOM 413 CG1 VAL A 24 -2.265 2.043 17.920 1.00 25.00 C ATOM 414 CG2 VAL A 24 0.175 2.447 18.378 1.00 25.00 C ATOM 0 H VAL A 24 -3.498 2.490 20.151 1.00 25.00 H new ATOM 0 HA VAL A 24 -0.727 3.228 20.768 1.00 25.00 H new ATOM 0 HB VAL A 24 -1.153 1.225 19.529 1.00 25.00 H new ATOM 0 HG11 VAL A 24 -1.970 1.271 17.209 1.00 25.00 H new ATOM 0 HG12 VAL A 24 -3.214 1.768 18.380 1.00 25.00 H new ATOM 0 HG13 VAL A 24 -2.376 2.994 17.398 1.00 25.00 H new ATOM 0 HG21 VAL A 24 0.401 1.672 17.646 1.00 25.00 H new ATOM 0 HG22 VAL A 24 0.166 3.420 17.886 1.00 25.00 H new ATOM 0 HG23 VAL A 24 0.936 2.442 19.158 1.00 25.00 H new ATOM 424 N LYS A 25 -1.119 5.619 20.350 1.00 25.00 N ATOM 425 CA LYS A 25 -1.169 7.055 20.068 1.00 25.00 C ATOM 426 C LYS A 25 -0.052 7.443 19.106 1.00 25.00 C ATOM 427 O LYS A 25 1.005 7.903 19.520 1.00 25.00 O ATOM 428 CB LYS A 25 -1.030 7.846 21.376 1.00 25.00 C ATOM 429 CG LYS A 25 -2.143 7.563 22.385 1.00 25.00 C ATOM 430 CD LYS A 25 -1.898 8.292 23.700 1.00 25.00 C ATOM 431 CE LYS A 25 -2.940 7.887 24.742 1.00 25.00 C ATOM 432 NZ LYS A 25 -2.689 8.553 26.071 1.00 25.00 N ATOM 0 H LYS A 25 -0.671 5.386 21.236 1.00 25.00 H new ATOM 0 HA LYS A 25 -2.128 7.291 19.606 1.00 25.00 H new ATOM 0 HB2 LYS A 25 -0.069 7.610 21.833 1.00 25.00 H new ATOM 0 HB3 LYS A 25 -1.021 8.912 21.147 1.00 25.00 H new ATOM 0 HG2 LYS A 25 -3.101 7.873 21.968 1.00 25.00 H new ATOM 0 HG3 LYS A 25 -2.207 6.490 22.568 1.00 25.00 H new ATOM 0 HD2 LYS A 25 -0.898 8.062 24.069 1.00 25.00 H new ATOM 0 HD3 LYS A 25 -1.938 9.369 23.538 1.00 25.00 H new ATOM 0 HE2 LYS A 25 -3.935 8.153 24.384 1.00 25.00 H new ATOM 0 HE3 LYS A 25 -2.926 6.805 24.869 1.00 25.00 H new ATOM 0 HZ1 LYS A 25 -3.416 8.254 26.752 1.00 25.00 H new ATOM 0 HZ2 LYS A 25 -1.750 8.279 26.425 1.00 25.00 H new ATOM 0 HZ3 LYS A 25 -2.728 9.586 25.955 1.00 25.00 H new ATOM 446 N VAL A 26 -0.312 7.273 17.821 1.00 25.00 N ATOM 447 CA VAL A 26 0.643 7.615 16.767 1.00 25.00 C ATOM 448 C VAL A 26 -0.110 8.347 15.670 1.00 25.00 C ATOM 449 O VAL A 26 -1.339 8.275 15.592 1.00 25.00 O ATOM 450 CB VAL A 26 1.324 6.341 16.158 1.00 25.00 C ATOM 451 CG1 VAL A 26 2.201 5.646 17.209 1.00 25.00 C ATOM 452 CG2 VAL A 26 0.278 5.357 15.617 1.00 25.00 C ATOM 0 H VAL A 26 -1.192 6.893 17.473 1.00 25.00 H new ATOM 0 HA VAL A 26 1.429 8.236 17.197 1.00 25.00 H new ATOM 0 HB VAL A 26 1.952 6.665 15.328 1.00 25.00 H new ATOM 0 HG11 VAL A 26 2.666 4.764 16.769 1.00 25.00 H new ATOM 0 HG12 VAL A 26 2.976 6.333 17.548 1.00 25.00 H new ATOM 0 HG13 VAL A 26 1.585 5.347 18.057 1.00 25.00 H new ATOM 0 HG21 VAL A 26 0.781 4.484 15.201 1.00 25.00 H new ATOM 0 HG22 VAL A 26 -0.381 5.045 16.427 1.00 25.00 H new ATOM 0 HG23 VAL A 26 -0.310 5.843 14.838 1.00 25.00 H new ATOM 462 N LYS A 27 0.618 9.037 14.807 1.00 25.00 N ATOM 463 CA LYS A 27 0.002 9.694 13.661 1.00 25.00 C ATOM 464 C LYS A 27 -0.441 8.576 12.723 1.00 25.00 C ATOM 465 O LYS A 27 0.274 7.603 12.538 1.00 25.00 O ATOM 466 CB LYS A 27 1.023 10.604 12.976 1.00 25.00 C ATOM 467 CG LYS A 27 0.456 11.557 11.919 1.00 25.00 C ATOM 468 CD LYS A 27 1.563 12.060 10.973 1.00 25.00 C ATOM 469 CE LYS A 27 2.635 12.907 11.682 1.00 25.00 C ATOM 470 NZ LYS A 27 3.990 12.660 11.072 1.00 25.00 N ATOM 0 H LYS A 27 1.629 9.157 14.875 1.00 25.00 H new ATOM 0 HA LYS A 27 -0.843 10.317 13.953 1.00 25.00 H new ATOM 0 HB2 LYS A 27 1.526 11.196 13.741 1.00 25.00 H new ATOM 0 HB3 LYS A 27 1.782 9.979 12.506 1.00 25.00 H new ATOM 0 HG2 LYS A 27 -0.315 11.047 11.342 1.00 25.00 H new ATOM 0 HG3 LYS A 27 -0.021 12.406 12.409 1.00 25.00 H new ATOM 0 HD2 LYS A 27 2.042 11.204 10.499 1.00 25.00 H new ATOM 0 HD3 LYS A 27 1.110 12.652 10.178 1.00 25.00 H new ATOM 0 HE2 LYS A 27 2.382 13.964 11.604 1.00 25.00 H new ATOM 0 HE3 LYS A 27 2.657 12.662 12.744 1.00 25.00 H new ATOM 0 HZ1 LYS A 27 4.710 12.639 11.822 1.00 25.00 H new ATOM 0 HZ2 LYS A 27 3.984 11.748 10.571 1.00 25.00 H new ATOM 0 HZ3 LYS A 27 4.213 13.422 10.400 1.00 25.00 H new ATOM 484 N PHE A 28 -1.604 8.730 12.117 1.00 25.00 N ATOM 485 CA PHE A 28 -2.136 7.734 11.187 1.00 25.00 C ATOM 486 C PHE A 28 -1.182 7.458 10.039 1.00 25.00 C ATOM 487 O PHE A 28 -0.879 6.309 9.745 1.00 25.00 O ATOM 488 CB PHE A 28 -3.445 8.287 10.615 1.00 25.00 C ATOM 489 CG PHE A 28 -4.600 7.350 10.706 1.00 25.00 C ATOM 490 CD1 PHE A 28 -4.819 6.389 9.705 1.00 25.00 C ATOM 491 CD2 PHE A 28 -5.510 7.446 11.775 1.00 25.00 C ATOM 492 CE1 PHE A 28 -5.937 5.539 9.761 1.00 25.00 C ATOM 493 CE2 PHE A 28 -6.636 6.603 11.838 1.00 25.00 C ATOM 494 CZ PHE A 28 -6.852 5.656 10.826 1.00 25.00 C ATOM 0 H PHE A 28 -2.208 9.541 12.250 1.00 25.00 H new ATOM 0 HA PHE A 28 -2.286 6.798 11.725 1.00 25.00 H new ATOM 0 HB2 PHE A 28 -3.697 9.208 11.141 1.00 25.00 H new ATOM 0 HB3 PHE A 28 -3.288 8.550 9.569 1.00 25.00 H new ATOM 0 HD1 PHE A 28 -4.122 6.303 8.885 1.00 25.00 H new ATOM 0 HD2 PHE A 28 -5.343 8.174 12.555 1.00 25.00 H new ATOM 0 HE1 PHE A 28 -6.094 4.799 8.990 1.00 25.00 H new ATOM 0 HE2 PHE A 28 -7.330 6.685 12.661 1.00 25.00 H new ATOM 0 HZ PHE A 28 -7.721 5.016 10.863 1.00 25.00 H new ATOM 504 N ALA A 29 -0.687 8.520 9.418 1.00 25.00 N ATOM 505 CA ALA A 29 0.242 8.389 8.305 1.00 25.00 C ATOM 506 C ALA A 29 1.513 7.673 8.748 1.00 25.00 C ATOM 507 O ALA A 29 2.089 6.913 7.998 1.00 25.00 O ATOM 508 CB ALA A 29 0.586 9.772 7.756 1.00 25.00 C ATOM 0 H ALA A 29 -0.914 9.483 9.667 1.00 25.00 H new ATOM 0 HA ALA A 29 -0.232 7.797 7.522 1.00 25.00 H new ATOM 0 HB1 ALA A 29 1.282 9.670 6.923 1.00 25.00 H new ATOM 0 HB2 ALA A 29 -0.324 10.263 7.411 1.00 25.00 H new ATOM 0 HB3 ALA A 29 1.046 10.371 8.542 1.00 25.00 H new ATOM 514 N ASP A 30 1.940 7.922 9.977 1.00 25.00 N ATOM 515 CA ASP A 30 3.168 7.312 10.480 1.00 25.00 C ATOM 516 C ASP A 30 2.942 5.830 10.743 1.00 25.00 C ATOM 517 O ASP A 30 3.868 5.043 10.635 1.00 25.00 O ATOM 518 CB ASP A 30 3.647 7.989 11.767 1.00 25.00 C ATOM 519 CG ASP A 30 4.146 9.413 11.541 1.00 25.00 C ATOM 520 OD1 ASP A 30 4.299 9.843 10.378 1.00 25.00 O ATOM 521 OD2 ASP A 30 4.298 10.146 12.538 1.00 25.00 O ATOM 0 H ASP A 30 1.463 8.534 10.639 1.00 25.00 H new ATOM 0 HA ASP A 30 3.938 7.442 9.719 1.00 25.00 H new ATOM 0 HB2 ASP A 30 2.830 8.006 12.488 1.00 25.00 H new ATOM 0 HB3 ASP A 30 4.448 7.395 12.207 1.00 25.00 H new ATOM 526 N LEU A 31 1.713 5.432 11.060 1.00 25.00 N ATOM 527 CA LEU A 31 1.436 4.010 11.247 1.00 25.00 C ATOM 528 C LEU A 31 1.441 3.320 9.893 1.00 25.00 C ATOM 529 O LEU A 31 2.211 2.392 9.650 1.00 25.00 O ATOM 530 CB LEU A 31 0.113 3.744 11.967 1.00 25.00 C ATOM 531 CG LEU A 31 0.255 2.568 12.967 1.00 25.00 C ATOM 532 CD1 LEU A 31 -1.046 2.303 13.668 1.00 25.00 C ATOM 533 CD2 LEU A 31 0.716 1.278 12.311 1.00 25.00 C ATOM 0 H LEU A 31 0.914 6.052 11.190 1.00 25.00 H new ATOM 0 HA LEU A 31 2.221 3.607 11.887 1.00 25.00 H new ATOM 0 HB2 LEU A 31 -0.204 4.642 12.498 1.00 25.00 H new ATOM 0 HB3 LEU A 31 -0.663 3.514 11.237 1.00 25.00 H new ATOM 0 HG LEU A 31 1.019 2.880 13.679 1.00 25.00 H new ATOM 0 HD11 LEU A 31 -0.922 1.474 14.364 1.00 25.00 H new ATOM 0 HD12 LEU A 31 -1.352 3.194 14.216 1.00 25.00 H new ATOM 0 HD13 LEU A 31 -1.810 2.048 12.933 1.00 25.00 H new ATOM 0 HD21 LEU A 31 0.795 0.495 13.065 1.00 25.00 H new ATOM 0 HD22 LEU A 31 -0.005 0.978 11.551 1.00 25.00 H new ATOM 0 HD23 LEU A 31 1.689 1.434 11.846 1.00 25.00 H new ATOM 545 N LEU A 32 0.599 3.805 8.995 1.00 25.00 N ATOM 546 CA LEU A 32 0.552 3.253 7.631 1.00 25.00 C ATOM 547 C LEU A 32 1.875 3.322 6.872 1.00 25.00 C ATOM 548 O LEU A 32 2.114 2.520 5.980 1.00 25.00 O ATOM 549 CB LEU A 32 -0.490 3.967 6.785 1.00 25.00 C ATOM 550 CG LEU A 32 -1.947 3.498 6.864 1.00 25.00 C ATOM 551 CD1 LEU A 32 -2.096 1.987 6.757 1.00 25.00 C ATOM 552 CD2 LEU A 32 -2.588 4.019 8.100 1.00 25.00 C ATOM 0 H LEU A 32 -0.055 4.567 9.171 1.00 25.00 H new ATOM 0 HA LEU A 32 0.301 2.203 7.781 1.00 25.00 H new ATOM 0 HB2 LEU A 32 -0.467 5.023 7.054 1.00 25.00 H new ATOM 0 HB3 LEU A 32 -0.176 3.896 5.744 1.00 25.00 H new ATOM 0 HG LEU A 32 -2.463 3.909 5.996 1.00 25.00 H new ATOM 0 HD11 LEU A 32 -3.151 1.720 6.820 1.00 25.00 H new ATOM 0 HD12 LEU A 32 -1.692 1.648 5.803 1.00 25.00 H new ATOM 0 HD13 LEU A 32 -1.552 1.509 7.571 1.00 25.00 H new ATOM 0 HD21 LEU A 32 -3.623 3.679 8.144 1.00 25.00 H new ATOM 0 HD22 LEU A 32 -2.048 3.652 8.973 1.00 25.00 H new ATOM 0 HD23 LEU A 32 -2.564 5.109 8.091 1.00 25.00 H new ATOM 564 N LYS A 33 2.759 4.226 7.254 1.00 25.00 N ATOM 565 CA LYS A 33 4.104 4.279 6.659 1.00 25.00 C ATOM 566 C LYS A 33 4.789 2.917 6.782 1.00 25.00 C ATOM 567 O LYS A 33 5.475 2.462 5.875 1.00 25.00 O ATOM 568 CB LYS A 33 4.946 5.346 7.364 1.00 25.00 C ATOM 569 CG LYS A 33 6.362 5.465 6.836 1.00 25.00 C ATOM 570 CD LYS A 33 7.122 6.553 7.571 1.00 25.00 C ATOM 571 CE LYS A 33 8.540 6.668 7.027 1.00 25.00 C ATOM 572 NZ LYS A 33 9.327 7.713 7.762 1.00 25.00 N ATOM 0 H LYS A 33 2.582 4.933 7.967 1.00 25.00 H new ATOM 0 HA LYS A 33 4.010 4.535 5.604 1.00 25.00 H new ATOM 0 HB2 LYS A 33 4.449 6.311 7.263 1.00 25.00 H new ATOM 0 HB3 LYS A 33 4.985 5.118 8.429 1.00 25.00 H new ATOM 0 HG2 LYS A 33 6.879 4.512 6.952 1.00 25.00 H new ATOM 0 HG3 LYS A 33 6.340 5.688 5.769 1.00 25.00 H new ATOM 0 HD2 LYS A 33 6.604 7.506 7.460 1.00 25.00 H new ATOM 0 HD3 LYS A 33 7.151 6.329 8.637 1.00 25.00 H new ATOM 0 HE2 LYS A 33 9.043 5.705 7.113 1.00 25.00 H new ATOM 0 HE3 LYS A 33 8.505 6.916 5.966 1.00 25.00 H new ATOM 0 HZ1 LYS A 33 10.288 7.766 7.367 1.00 25.00 H new ATOM 0 HZ2 LYS A 33 8.859 8.636 7.659 1.00 25.00 H new ATOM 0 HZ3 LYS A 33 9.380 7.462 8.770 1.00 25.00 H new ATOM 586 N PHE A 34 4.573 2.246 7.901 1.00 25.00 N ATOM 587 CA PHE A 34 5.161 0.933 8.128 1.00 25.00 C ATOM 588 C PHE A 34 4.433 -0.176 7.373 1.00 25.00 C ATOM 589 O PHE A 34 5.039 -1.181 7.038 1.00 25.00 O ATOM 590 CB PHE A 34 5.248 0.653 9.624 1.00 25.00 C ATOM 591 CG PHE A 34 6.392 1.372 10.278 1.00 25.00 C ATOM 592 CD1 PHE A 34 6.261 2.716 10.662 1.00 25.00 C ATOM 593 CD2 PHE A 34 7.627 0.724 10.468 1.00 25.00 C ATOM 594 CE1 PHE A 34 7.345 3.419 11.230 1.00 25.00 C ATOM 595 CE2 PHE A 34 8.724 1.416 11.036 1.00 25.00 C ATOM 596 CZ PHE A 34 8.581 2.771 11.412 1.00 25.00 C ATOM 0 H PHE A 34 3.994 2.588 8.668 1.00 25.00 H new ATOM 0 HA PHE A 34 6.172 0.944 7.722 1.00 25.00 H new ATOM 0 HB2 PHE A 34 4.315 0.952 10.101 1.00 25.00 H new ATOM 0 HB3 PHE A 34 5.358 -0.420 9.784 1.00 25.00 H new ATOM 0 HD1 PHE A 34 5.316 3.220 10.521 1.00 25.00 H new ATOM 0 HD2 PHE A 34 7.739 -0.310 10.178 1.00 25.00 H new ATOM 0 HE1 PHE A 34 7.226 4.451 11.524 1.00 25.00 H new ATOM 0 HE2 PHE A 34 9.667 0.910 11.181 1.00 25.00 H new ATOM 0 HZ PHE A 34 9.417 3.307 11.837 1.00 25.00 H new ATOM 606 N PHE A 35 3.167 0.030 7.033 1.00 25.00 N ATOM 607 CA PHE A 35 2.440 -0.925 6.180 1.00 25.00 C ATOM 608 C PHE A 35 3.075 -0.877 4.781 1.00 25.00 C ATOM 609 O PHE A 35 3.073 -1.857 4.049 1.00 25.00 O ATOM 610 CB PHE A 35 0.947 -0.566 6.052 1.00 25.00 C ATOM 611 CG PHE A 35 0.097 -0.947 7.248 1.00 25.00 C ATOM 612 CD1 PHE A 35 0.490 -0.655 8.572 1.00 25.00 C ATOM 613 CD2 PHE A 35 -1.142 -1.584 7.039 1.00 25.00 C ATOM 614 CE1 PHE A 35 -0.339 -1.009 9.663 1.00 25.00 C ATOM 615 CE2 PHE A 35 -1.970 -1.936 8.130 1.00 25.00 C ATOM 616 CZ PHE A 35 -1.567 -1.641 9.440 1.00 25.00 C ATOM 0 H PHE A 35 2.619 0.839 7.327 1.00 25.00 H new ATOM 0 HA PHE A 35 2.507 -1.916 6.629 1.00 25.00 H new ATOM 0 HB2 PHE A 35 0.859 0.508 5.889 1.00 25.00 H new ATOM 0 HB3 PHE A 35 0.544 -1.057 5.166 1.00 25.00 H new ATOM 0 HD1 PHE A 35 1.431 -0.157 8.754 1.00 25.00 H new ATOM 0 HD2 PHE A 35 -1.464 -1.806 6.032 1.00 25.00 H new ATOM 0 HE1 PHE A 35 -0.022 -0.790 10.672 1.00 25.00 H new ATOM 0 HE2 PHE A 35 -2.913 -2.432 7.954 1.00 25.00 H new ATOM 0 HZ PHE A 35 -2.202 -1.901 10.274 1.00 25.00 H new ATOM 626 N ASP A 36 3.640 0.267 4.424 1.00 25.00 N ATOM 627 CA ASP A 36 4.312 0.416 3.132 1.00 25.00 C ATOM 628 C ASP A 36 5.728 -0.169 3.175 1.00 25.00 C ATOM 629 O ASP A 36 6.264 -0.615 2.166 1.00 25.00 O ATOM 630 CB ASP A 36 4.372 1.893 2.749 1.00 25.00 C ATOM 631 CG ASP A 36 4.151 2.106 1.273 1.00 25.00 C ATOM 632 OD1 ASP A 36 5.095 1.936 0.479 1.00 25.00 O ATOM 633 OD2 ASP A 36 2.987 2.375 0.898 1.00 25.00 O ATOM 0 H ASP A 36 3.649 1.105 5.005 1.00 25.00 H new ATOM 0 HA ASP A 36 3.740 -0.133 2.384 1.00 25.00 H new ATOM 0 HB2 ASP A 36 3.618 2.444 3.311 1.00 25.00 H new ATOM 0 HB3 ASP A 36 5.342 2.301 3.032 1.00 25.00 H new ATOM 638 N PHE A 37 6.317 -0.204 4.361 1.00 25.00 N ATOM 639 CA PHE A 37 7.658 -0.764 4.530 1.00 25.00 C ATOM 640 C PHE A 37 7.670 -2.272 4.266 1.00 25.00 C ATOM 641 O PHE A 37 8.578 -2.788 3.622 1.00 25.00 O ATOM 642 CB PHE A 37 8.173 -0.474 5.945 1.00 25.00 C ATOM 643 CG PHE A 37 9.606 -0.881 6.163 1.00 25.00 C ATOM 644 CD1 PHE A 37 10.656 -0.052 5.726 1.00 25.00 C ATOM 645 CD2 PHE A 37 9.916 -2.096 6.804 1.00 25.00 C ATOM 646 CE1 PHE A 37 12.008 -0.430 5.927 1.00 25.00 C ATOM 647 CE2 PHE A 37 11.264 -2.483 7.010 1.00 25.00 C ATOM 648 CZ PHE A 37 12.310 -1.645 6.569 1.00 25.00 C ATOM 0 H PHE A 37 5.893 0.146 5.220 1.00 25.00 H new ATOM 0 HA PHE A 37 8.316 -0.290 3.801 1.00 25.00 H new ATOM 0 HB2 PHE A 37 8.073 0.592 6.147 1.00 25.00 H new ATOM 0 HB3 PHE A 37 7.543 -0.996 6.665 1.00 25.00 H new ATOM 0 HD1 PHE A 37 10.430 0.882 5.232 1.00 25.00 H new ATOM 0 HD2 PHE A 37 9.118 -2.740 7.142 1.00 25.00 H new ATOM 0 HE1 PHE A 37 12.805 0.214 5.587 1.00 25.00 H new ATOM 0 HE2 PHE A 37 11.490 -3.417 7.503 1.00 25.00 H new ATOM 0 HZ PHE A 37 13.339 -1.935 6.724 1.00 25.00 H new ATOM 658 N VAL A 38 6.646 -2.984 4.726 1.00 25.00 N ATOM 659 CA VAL A 38 6.584 -4.436 4.498 1.00 25.00 C ATOM 660 C VAL A 38 6.430 -4.738 3.017 1.00 25.00 C ATOM 661 O VAL A 38 6.988 -5.704 2.528 1.00 25.00 O ATOM 662 CB VAL A 38 5.460 -5.153 5.337 1.00 25.00 C ATOM 663 CG1 VAL A 38 4.598 -4.165 6.082 1.00 25.00 C ATOM 664 CG2 VAL A 38 4.580 -6.101 4.482 1.00 25.00 C ATOM 0 H VAL A 38 5.860 -2.596 5.248 1.00 25.00 H new ATOM 0 HA VAL A 38 7.531 -4.844 4.850 1.00 25.00 H new ATOM 0 HB VAL A 38 5.986 -5.769 6.066 1.00 25.00 H new ATOM 0 HG11 VAL A 38 3.836 -4.701 6.648 1.00 25.00 H new ATOM 0 HG12 VAL A 38 5.217 -3.585 6.767 1.00 25.00 H new ATOM 0 HG13 VAL A 38 4.117 -3.493 5.371 1.00 25.00 H new ATOM 0 HG21 VAL A 38 3.824 -6.566 5.115 1.00 25.00 H new ATOM 0 HG22 VAL A 38 4.091 -5.530 3.693 1.00 25.00 H new ATOM 0 HG23 VAL A 38 5.205 -6.875 4.036 1.00 25.00 H new ATOM 674 N LYS A 39 5.728 -3.877 2.292 1.00 25.00 N ATOM 675 CA LYS A 39 5.569 -4.043 0.840 1.00 25.00 C ATOM 676 C LYS A 39 6.936 -4.095 0.175 1.00 25.00 C ATOM 677 O LYS A 39 7.139 -4.834 -0.778 1.00 25.00 O ATOM 678 CB LYS A 39 4.741 -2.874 0.277 1.00 25.00 C ATOM 679 CG LYS A 39 4.566 -2.837 -1.258 1.00 25.00 C ATOM 680 CD LYS A 39 5.659 -2.007 -2.003 1.00 25.00 C ATOM 681 CE LYS A 39 5.641 -0.505 -1.656 1.00 25.00 C ATOM 682 NZ LYS A 39 6.801 -0.079 -0.777 1.00 25.00 N ATOM 0 H LYS A 39 5.259 -3.057 2.677 1.00 25.00 H new ATOM 0 HA LYS A 39 5.046 -4.977 0.634 1.00 25.00 H new ATOM 0 HB2 LYS A 39 3.752 -2.904 0.734 1.00 25.00 H new ATOM 0 HB3 LYS A 39 5.209 -1.941 0.591 1.00 25.00 H new ATOM 0 HG2 LYS A 39 4.577 -3.858 -1.639 1.00 25.00 H new ATOM 0 HG3 LYS A 39 3.586 -2.420 -1.492 1.00 25.00 H new ATOM 0 HD2 LYS A 39 6.640 -2.415 -1.761 1.00 25.00 H new ATOM 0 HD3 LYS A 39 5.522 -2.124 -3.078 1.00 25.00 H new ATOM 0 HE2 LYS A 39 5.662 0.074 -2.579 1.00 25.00 H new ATOM 0 HE3 LYS A 39 4.705 -0.267 -1.151 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 6.499 0.699 -0.156 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 7.111 -0.885 -0.197 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 7.590 0.242 -1.374 1.00 25.00 H new ATOM 696 N ASP A 40 7.861 -3.295 0.678 1.00 25.00 N ATOM 697 CA ASP A 40 9.194 -3.204 0.094 1.00 25.00 C ATOM 698 C ASP A 40 10.043 -4.443 0.377 1.00 25.00 C ATOM 699 O ASP A 40 10.574 -5.063 -0.538 1.00 25.00 O ATOM 700 CB ASP A 40 9.895 -1.959 0.636 1.00 25.00 C ATOM 701 CG ASP A 40 10.650 -1.219 -0.434 1.00 25.00 C ATOM 702 OD1 ASP A 40 9.972 -0.623 -1.306 1.00 25.00 O ATOM 703 OD2 ASP A 40 11.895 -1.203 -0.401 1.00 25.00 O ATOM 0 H ASP A 40 7.716 -2.697 1.491 1.00 25.00 H new ATOM 0 HA ASP A 40 9.079 -3.137 -0.988 1.00 25.00 H new ATOM 0 HB2 ASP A 40 9.156 -1.294 1.083 1.00 25.00 H new ATOM 0 HB3 ASP A 40 10.584 -2.249 1.430 1.00 25.00 H new ATOM 708 N THR A 41 10.164 -4.811 1.647 1.00 25.00 N ATOM 709 CA THR A 41 10.990 -5.960 2.037 1.00 25.00 C ATOM 710 C THR A 41 10.357 -7.289 1.626 1.00 25.00 C ATOM 711 O THR A 41 11.038 -8.280 1.375 1.00 25.00 O ATOM 712 CB THR A 41 11.193 -5.981 3.561 1.00 25.00 C ATOM 713 OG1 THR A 41 11.219 -4.639 4.051 1.00 25.00 O ATOM 714 CG2 THR A 41 12.498 -6.655 3.932 1.00 25.00 C ATOM 0 H THR A 41 9.705 -4.337 2.425 1.00 25.00 H new ATOM 0 HA THR A 41 11.944 -5.847 1.522 1.00 25.00 H new ATOM 0 HB THR A 41 10.370 -6.540 4.005 1.00 25.00 H new ATOM 0 HG1 THR A 41 11.202 -4.648 5.031 1.00 25.00 H new ATOM 0 HG21 THR A 41 12.613 -6.654 5.016 1.00 25.00 H new ATOM 0 HG22 THR A 41 12.493 -7.683 3.568 1.00 25.00 H new ATOM 0 HG23 THR A 41 13.329 -6.114 3.479 1.00 25.00 H new ATOM 722 N CYS A 42 9.037 -7.300 1.572 1.00 25.00 N ATOM 723 CA CYS A 42 8.271 -8.480 1.187 1.00 25.00 C ATOM 724 C CYS A 42 7.361 -8.168 0.002 1.00 25.00 C ATOM 725 O CYS A 42 6.148 -8.032 0.171 1.00 25.00 O ATOM 726 CB CYS A 42 7.411 -8.949 2.362 1.00 25.00 C ATOM 727 SG CYS A 42 8.373 -9.454 3.780 1.00 25.00 S ATOM 0 H CYS A 42 8.460 -6.489 1.794 1.00 25.00 H new ATOM 0 HA CYS A 42 8.973 -9.264 0.903 1.00 25.00 H new ATOM 0 HB2 CYS A 42 6.738 -8.143 2.656 1.00 25.00 H new ATOM 0 HB3 CYS A 42 6.788 -9.783 2.038 1.00 25.00 H new ATOM 0 HG CYS A 42 9.539 -9.874 3.386 1.00 25.00 H new ATOM 733 N PRO A 43 7.916 -8.114 -1.221 1.00 25.00 N ATOM 734 CA PRO A 43 7.058 -7.814 -2.376 1.00 25.00 C ATOM 735 C PRO A 43 6.113 -8.965 -2.698 1.00 25.00 C ATOM 736 O PRO A 43 5.110 -8.802 -3.383 1.00 25.00 O ATOM 737 CB PRO A 43 8.070 -7.577 -3.498 1.00 25.00 C ATOM 738 CG PRO A 43 9.226 -8.441 -3.132 1.00 25.00 C ATOM 739 CD PRO A 43 9.318 -8.333 -1.630 1.00 25.00 C ATOM 0 HA PRO A 43 6.397 -6.964 -2.208 1.00 25.00 H new ATOM 0 HB2 PRO A 43 7.659 -7.851 -4.470 1.00 25.00 H new ATOM 0 HB3 PRO A 43 8.360 -6.528 -3.559 1.00 25.00 H new ATOM 0 HG2 PRO A 43 9.066 -9.472 -3.447 1.00 25.00 H new ATOM 0 HG3 PRO A 43 10.144 -8.100 -3.611 1.00 25.00 H new ATOM 0 HD2 PRO A 43 9.730 -9.239 -1.186 1.00 25.00 H new ATOM 0 HD3 PRO A 43 9.960 -7.507 -1.324 1.00 25.00 H new ATOM 747 N TRP A 44 6.417 -10.131 -2.151 1.00 25.00 N ATOM 748 CA TRP A 44 5.563 -11.295 -2.299 1.00 25.00 C ATOM 749 C TRP A 44 4.335 -11.222 -1.392 1.00 25.00 C ATOM 750 O TRP A 44 3.362 -11.908 -1.635 1.00 25.00 O ATOM 751 CB TRP A 44 6.360 -12.561 -2.010 1.00 25.00 C ATOM 752 CG TRP A 44 7.439 -12.330 -1.014 1.00 25.00 C ATOM 753 CD1 TRP A 44 7.286 -12.076 0.296 1.00 25.00 C ATOM 754 CD2 TRP A 44 8.861 -12.305 -1.249 1.00 25.00 C ATOM 755 NE1 TRP A 44 8.486 -11.903 0.925 1.00 25.00 N ATOM 756 CE2 TRP A 44 9.486 -12.029 0.003 1.00 25.00 C ATOM 757 CE3 TRP A 44 9.670 -12.471 -2.391 1.00 25.00 C ATOM 758 CZ2 TRP A 44 10.882 -11.918 0.141 1.00 25.00 C ATOM 759 CZ3 TRP A 44 11.081 -12.364 -2.257 1.00 25.00 C ATOM 760 CH2 TRP A 44 11.668 -12.085 -0.986 1.00 25.00 C ATOM 0 H TRP A 44 7.257 -10.295 -1.596 1.00 25.00 H new ATOM 0 HA TRP A 44 5.205 -11.317 -3.328 1.00 25.00 H new ATOM 0 HB2 TRP A 44 5.687 -13.336 -1.641 1.00 25.00 H new ATOM 0 HB3 TRP A 44 6.797 -12.933 -2.937 1.00 25.00 H new ATOM 0 HD1 TRP A 44 6.329 -12.016 0.793 1.00 25.00 H new ATOM 0 HE1 TRP A 44 8.614 -11.711 1.919 1.00 25.00 H new ATOM 0 HE3 TRP A 44 9.225 -12.676 -3.353 1.00 25.00 H new ATOM 0 HZ2 TRP A 44 11.329 -11.708 1.102 1.00 25.00 H new ATOM 0 HZ3 TRP A 44 11.713 -12.495 -3.123 1.00 25.00 H new ATOM 0 HH2 TRP A 44 12.742 -12.003 -0.903 1.00 25.00 H new ATOM 771 N PHE A 45 4.348 -10.377 -0.368 1.00 25.00 N ATOM 772 CA PHE A 45 3.181 -10.279 0.513 1.00 25.00 C ATOM 773 C PHE A 45 1.962 -9.693 -0.231 1.00 25.00 C ATOM 774 O PHE A 45 0.912 -10.340 -0.277 1.00 25.00 O ATOM 775 CB PHE A 45 3.507 -9.483 1.786 1.00 25.00 C ATOM 776 CG PHE A 45 2.401 -9.501 2.805 1.00 25.00 C ATOM 777 CD1 PHE A 45 1.381 -8.532 2.770 1.00 25.00 C ATOM 778 CD2 PHE A 45 2.363 -10.496 3.802 1.00 25.00 C ATOM 779 CE1 PHE A 45 0.333 -8.552 3.718 1.00 25.00 C ATOM 780 CE2 PHE A 45 1.322 -10.519 4.765 1.00 25.00 C ATOM 781 CZ PHE A 45 0.307 -9.543 4.720 1.00 25.00 C ATOM 0 H PHE A 45 5.127 -9.764 -0.128 1.00 25.00 H new ATOM 0 HA PHE A 45 2.915 -11.290 0.823 1.00 25.00 H new ATOM 0 HB2 PHE A 45 4.412 -9.889 2.237 1.00 25.00 H new ATOM 0 HB3 PHE A 45 3.722 -8.450 1.514 1.00 25.00 H new ATOM 0 HD1 PHE A 45 1.399 -7.765 2.010 1.00 25.00 H new ATOM 0 HD2 PHE A 45 3.136 -11.250 3.833 1.00 25.00 H new ATOM 0 HE1 PHE A 45 -0.448 -7.808 3.675 1.00 25.00 H new ATOM 0 HE2 PHE A 45 1.307 -11.282 5.530 1.00 25.00 H new ATOM 0 HZ PHE A 45 -0.488 -9.554 5.451 1.00 25.00 H new ATOM 791 N PRO A 46 2.090 -8.508 -0.881 1.00 25.00 N ATOM 792 CA PRO A 46 0.890 -8.122 -1.633 1.00 25.00 C ATOM 793 C PRO A 46 0.650 -8.973 -2.887 1.00 25.00 C ATOM 794 O PRO A 46 -0.470 -9.052 -3.360 1.00 25.00 O ATOM 795 CB PRO A 46 1.176 -6.664 -2.003 1.00 25.00 C ATOM 796 CG PRO A 46 2.638 -6.605 -2.132 1.00 25.00 C ATOM 797 CD PRO A 46 3.145 -7.480 -1.016 1.00 25.00 C ATOM 0 HA PRO A 46 -0.018 -8.266 -1.048 1.00 25.00 H new ATOM 0 HB2 PRO A 46 0.683 -6.385 -2.934 1.00 25.00 H new ATOM 0 HB3 PRO A 46 0.816 -5.980 -1.234 1.00 25.00 H new ATOM 0 HG2 PRO A 46 2.967 -6.971 -3.105 1.00 25.00 H new ATOM 0 HG3 PRO A 46 3.005 -5.583 -2.035 1.00 25.00 H new ATOM 0 HD2 PRO A 46 4.110 -7.924 -1.260 1.00 25.00 H new ATOM 0 HD3 PRO A 46 3.278 -6.917 -0.092 1.00 25.00 H new ATOM 805 N GLN A 47 1.687 -9.636 -3.393 1.00 25.00 N ATOM 806 CA GLN A 47 1.548 -10.518 -4.558 1.00 25.00 C ATOM 807 C GLN A 47 0.657 -11.720 -4.216 1.00 25.00 C ATOM 808 O GLN A 47 -0.118 -12.186 -5.041 1.00 25.00 O ATOM 809 CB GLN A 47 2.933 -11.004 -5.009 1.00 25.00 C ATOM 810 CG GLN A 47 2.959 -11.680 -6.376 1.00 25.00 C ATOM 811 CD GLN A 47 4.363 -12.097 -6.785 1.00 25.00 C ATOM 812 OE1 GLN A 47 4.835 -13.185 -6.446 1.00 25.00 O ATOM 813 NE2 GLN A 47 5.038 -11.245 -7.508 1.00 25.00 N ATOM 0 H GLN A 47 2.634 -9.582 -3.018 1.00 25.00 H new ATOM 0 HA GLN A 47 1.081 -9.959 -5.369 1.00 25.00 H new ATOM 0 HB2 GLN A 47 3.613 -10.153 -5.027 1.00 25.00 H new ATOM 0 HB3 GLN A 47 3.317 -11.703 -4.266 1.00 25.00 H new ATOM 0 HG2 GLN A 47 2.312 -12.557 -6.358 1.00 25.00 H new ATOM 0 HG3 GLN A 47 2.552 -10.999 -7.124 1.00 25.00 H new ATOM 0 HE21 GLN A 47 4.618 -10.354 -7.771 1.00 25.00 H new ATOM 0 HE22 GLN A 47 5.986 -11.471 -7.810 1.00 25.00 H new ATOM 822 N GLU A 48 0.769 -12.208 -2.988 1.00 25.00 N ATOM 823 CA GLU A 48 -0.063 -13.314 -2.515 1.00 25.00 C ATOM 824 C GLU A 48 -1.480 -12.833 -2.200 1.00 25.00 C ATOM 825 O GLU A 48 -2.422 -13.625 -2.194 1.00 25.00 O ATOM 826 CB GLU A 48 0.561 -13.928 -1.259 1.00 25.00 C ATOM 827 CG GLU A 48 1.808 -14.765 -1.551 1.00 25.00 C ATOM 828 CD GLU A 48 2.536 -15.192 -0.282 1.00 25.00 C ATOM 829 OE1 GLU A 48 1.862 -15.503 0.728 1.00 25.00 O ATOM 830 OE2 GLU A 48 3.784 -15.275 -0.294 1.00 25.00 O ATOM 0 H GLU A 48 1.430 -11.856 -2.296 1.00 25.00 H new ATOM 0 HA GLU A 48 -0.119 -14.065 -3.303 1.00 25.00 H new ATOM 0 HB2 GLU A 48 0.822 -13.130 -0.564 1.00 25.00 H new ATOM 0 HB3 GLU A 48 -0.180 -14.554 -0.762 1.00 25.00 H new ATOM 0 HG2 GLU A 48 1.522 -15.651 -2.117 1.00 25.00 H new ATOM 0 HG3 GLU A 48 2.488 -14.190 -2.180 1.00 25.00 H new ATOM 837 N GLY A 49 -1.617 -11.540 -1.923 1.00 25.00 N ATOM 838 CA GLY A 49 -2.918 -10.930 -1.663 1.00 25.00 C ATOM 839 C GLY A 49 -3.691 -11.554 -0.518 1.00 25.00 C ATOM 840 O GLY A 49 -4.912 -11.502 -0.494 1.00 25.00 O ATOM 0 H GLY A 49 -0.834 -10.888 -1.872 1.00 25.00 H new ATOM 0 HA2 GLY A 49 -2.772 -9.871 -1.451 1.00 25.00 H new ATOM 0 HA3 GLY A 49 -3.522 -10.993 -2.568 1.00 25.00 H new ATOM 844 N THR A 50 -2.983 -12.182 0.410 1.00 25.00 N ATOM 845 CA THR A 50 -3.614 -12.909 1.508 1.00 25.00 C ATOM 846 C THR A 50 -3.031 -12.456 2.836 1.00 25.00 C ATOM 847 O THR A 50 -1.810 -12.454 3.020 1.00 25.00 O ATOM 848 CB THR A 50 -3.374 -14.417 1.364 1.00 25.00 C ATOM 849 OG1 THR A 50 -3.855 -14.872 0.096 1.00 25.00 O ATOM 850 CG2 THR A 50 -4.082 -15.202 2.459 1.00 25.00 C ATOM 0 H THR A 50 -1.963 -12.204 0.426 1.00 25.00 H new ATOM 0 HA THR A 50 -4.684 -12.703 1.477 1.00 25.00 H new ATOM 0 HB THR A 50 -2.300 -14.584 1.446 1.00 25.00 H new ATOM 0 HG1 THR A 50 -3.332 -14.456 -0.621 1.00 25.00 H new ATOM 0 HG21 THR A 50 -3.890 -16.267 2.326 1.00 25.00 H new ATOM 0 HG22 THR A 50 -3.709 -14.885 3.433 1.00 25.00 H new ATOM 0 HG23 THR A 50 -5.155 -15.017 2.404 1.00 25.00 H new ATOM 858 N ILE A 51 -3.899 -12.063 3.755 1.00 25.00 N ATOM 859 CA ILE A 51 -3.483 -11.508 5.035 1.00 25.00 C ATOM 860 C ILE A 51 -3.998 -12.379 6.174 1.00 25.00 C ATOM 861 O ILE A 51 -5.152 -12.322 6.588 1.00 25.00 O ATOM 862 CB ILE A 51 -3.966 -10.044 5.172 1.00 25.00 C ATOM 863 CG1 ILE A 51 -3.399 -9.219 4.002 1.00 25.00 C ATOM 864 CG2 ILE A 51 -3.517 -9.417 6.530 1.00 25.00 C ATOM 865 CD1 ILE A 51 -3.885 -7.826 3.946 1.00 25.00 C ATOM 0 H ILE A 51 -4.910 -12.119 3.636 1.00 25.00 H new ATOM 0 HA ILE A 51 -2.394 -11.500 5.085 1.00 25.00 H new ATOM 0 HB ILE A 51 -5.056 -10.034 5.148 1.00 25.00 H new ATOM 0 HG12 ILE A 51 -2.311 -9.209 4.074 1.00 25.00 H new ATOM 0 HG13 ILE A 51 -3.652 -9.717 3.066 1.00 25.00 H new ATOM 0 HG21 ILE A 51 -3.874 -8.389 6.592 1.00 25.00 H new ATOM 0 HG22 ILE A 51 -3.935 -9.996 7.354 1.00 25.00 H new ATOM 0 HG23 ILE A 51 -2.429 -9.428 6.594 1.00 25.00 H new ATOM 0 HD11 ILE A 51 -3.436 -7.318 3.093 1.00 25.00 H new ATOM 0 HD12 ILE A 51 -4.970 -7.823 3.840 1.00 25.00 H new ATOM 0 HD13 ILE A 51 -3.609 -7.307 4.864 1.00 25.00 H new ATOM 877 N ASP A 52 -3.090 -13.187 6.686 1.00 25.00 N ATOM 878 CA ASP A 52 -3.350 -14.048 7.826 1.00 25.00 C ATOM 879 C ASP A 52 -2.074 -14.008 8.625 1.00 25.00 C ATOM 880 O ASP A 52 -1.040 -13.594 8.111 1.00 25.00 O ATOM 881 CB ASP A 52 -3.638 -15.482 7.400 1.00 25.00 C ATOM 882 CG ASP A 52 -3.745 -16.415 8.580 1.00 25.00 C ATOM 883 OD1 ASP A 52 -4.494 -16.095 9.522 1.00 25.00 O ATOM 884 OD2 ASP A 52 -2.899 -17.328 8.673 1.00 25.00 O ATOM 0 H ASP A 52 -2.141 -13.266 6.319 1.00 25.00 H new ATOM 0 HA ASP A 52 -4.224 -13.712 8.384 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -4.567 -15.511 6.831 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -2.846 -15.828 6.736 1.00 25.00 H new ATOM 889 N ILE A 53 -2.121 -14.439 9.868 1.00 25.00 N ATOM 890 CA ILE A 53 -0.957 -14.391 10.722 1.00 25.00 C ATOM 891 C ILE A 53 0.137 -15.338 10.227 1.00 25.00 C ATOM 892 O ILE A 53 1.316 -15.049 10.373 1.00 25.00 O ATOM 893 CB ILE A 53 -1.380 -14.672 12.173 1.00 25.00 C ATOM 894 CG1 ILE A 53 -0.260 -14.300 13.157 1.00 25.00 C ATOM 895 CG2 ILE A 53 -1.810 -16.133 12.372 1.00 25.00 C ATOM 896 CD1 ILE A 53 0.104 -12.823 13.210 1.00 25.00 C ATOM 0 H ILE A 53 -2.955 -14.827 10.309 1.00 25.00 H new ATOM 0 HA ILE A 53 -0.520 -13.393 10.687 1.00 25.00 H new ATOM 0 HB ILE A 53 -2.245 -14.043 12.381 1.00 25.00 H new ATOM 0 HG12 ILE A 53 -0.558 -14.619 14.156 1.00 25.00 H new ATOM 0 HG13 ILE A 53 0.633 -14.867 12.894 1.00 25.00 H new ATOM 0 HG21 ILE A 53 -2.101 -16.288 13.411 1.00 25.00 H new ATOM 0 HG22 ILE A 53 -2.656 -16.355 11.721 1.00 25.00 H new ATOM 0 HG23 ILE A 53 -0.979 -16.794 12.125 1.00 25.00 H new ATOM 0 HD11 ILE A 53 0.904 -12.671 13.935 1.00 25.00 H new ATOM 0 HD12 ILE A 53 0.439 -12.495 12.226 1.00 25.00 H new ATOM 0 HD13 ILE A 53 -0.770 -12.243 13.507 1.00 25.00 H new ATOM 908 N LYS A 54 -0.232 -16.419 9.553 1.00 25.00 N ATOM 909 CA LYS A 54 0.773 -17.317 8.968 1.00 25.00 C ATOM 910 C LYS A 54 1.537 -16.594 7.863 1.00 25.00 C ATOM 911 O LYS A 54 2.718 -16.843 7.649 1.00 25.00 O ATOM 912 CB LYS A 54 0.104 -18.571 8.399 1.00 25.00 C ATOM 913 CG LYS A 54 -0.519 -19.476 9.474 1.00 25.00 C ATOM 914 CD LYS A 54 -1.437 -20.552 8.869 1.00 25.00 C ATOM 915 CE LYS A 54 -0.680 -21.610 8.051 1.00 25.00 C ATOM 916 NZ LYS A 54 0.210 -22.467 8.912 1.00 25.00 N ATOM 0 H LYS A 54 -1.200 -16.698 9.396 1.00 25.00 H new ATOM 0 HA LYS A 54 1.469 -17.616 9.752 1.00 25.00 H new ATOM 0 HB2 LYS A 54 -0.671 -18.271 7.694 1.00 25.00 H new ATOM 0 HB3 LYS A 54 0.842 -19.143 7.837 1.00 25.00 H new ATOM 0 HG2 LYS A 54 0.275 -19.958 10.045 1.00 25.00 H new ATOM 0 HG3 LYS A 54 -1.090 -18.866 10.174 1.00 25.00 H new ATOM 0 HD2 LYS A 54 -1.983 -21.047 9.672 1.00 25.00 H new ATOM 0 HD3 LYS A 54 -2.177 -20.070 8.230 1.00 25.00 H new ATOM 0 HE2 LYS A 54 -1.397 -22.244 7.529 1.00 25.00 H new ATOM 0 HE3 LYS A 54 -0.078 -21.115 7.289 1.00 25.00 H new ATOM 0 HZ1 LYS A 54 0.635 -23.219 8.332 1.00 25.00 H new ATOM 0 HZ2 LYS A 54 0.963 -21.880 9.324 1.00 25.00 H new ATOM 0 HZ3 LYS A 54 -0.353 -22.895 9.675 1.00 25.00 H new ATOM 930 N ARG A 55 0.859 -15.688 7.172 1.00 25.00 N ATOM 931 CA ARG A 55 1.482 -14.905 6.099 1.00 25.00 C ATOM 932 C ARG A 55 2.304 -13.777 6.733 1.00 25.00 C ATOM 933 O ARG A 55 3.411 -13.491 6.311 1.00 25.00 O ATOM 934 CB ARG A 55 0.407 -14.309 5.164 1.00 25.00 C ATOM 935 CG ARG A 55 -0.633 -15.323 4.621 1.00 25.00 C ATOM 936 CD ARG A 55 -0.308 -15.815 3.214 1.00 25.00 C ATOM 937 NE ARG A 55 -1.295 -16.807 2.746 1.00 25.00 N ATOM 938 CZ ARG A 55 -1.357 -17.309 1.515 1.00 25.00 C ATOM 939 NH1 ARG A 55 -0.506 -16.995 0.578 1.00 25.00 N ATOM 940 NH2 ARG A 55 -2.312 -18.149 1.220 1.00 25.00 N ATOM 0 H ARG A 55 -0.125 -15.472 7.331 1.00 25.00 H new ATOM 0 HA ARG A 55 2.126 -15.553 5.505 1.00 25.00 H new ATOM 0 HB2 ARG A 55 -0.123 -13.522 5.701 1.00 25.00 H new ATOM 0 HB3 ARG A 55 0.906 -13.837 4.318 1.00 25.00 H new ATOM 0 HG2 ARG A 55 -0.685 -16.178 5.296 1.00 25.00 H new ATOM 0 HG3 ARG A 55 -1.619 -14.858 4.619 1.00 25.00 H new ATOM 0 HD2 ARG A 55 -0.288 -14.969 2.527 1.00 25.00 H new ATOM 0 HD3 ARG A 55 0.688 -16.258 3.203 1.00 25.00 H new ATOM 0 HE ARG A 55 -1.986 -17.135 3.421 1.00 25.00 H new ATOM 0 HH11 ARG A 55 0.249 -16.338 0.774 1.00 25.00 H new ATOM 0 HH12 ARG A 55 -0.595 -17.407 -0.351 1.00 25.00 H new ATOM 0 HH21 ARG A 55 -2.997 -18.412 1.929 1.00 25.00 H new ATOM 0 HH22 ARG A 55 -2.373 -18.542 0.281 1.00 25.00 H new ATOM 954 N TRP A 56 1.745 -13.159 7.764 1.00 25.00 N ATOM 955 CA TRP A 56 2.378 -12.030 8.450 1.00 25.00 C ATOM 956 C TRP A 56 3.631 -12.388 9.249 1.00 25.00 C ATOM 957 O TRP A 56 4.551 -11.588 9.361 1.00 25.00 O ATOM 958 CB TRP A 56 1.363 -11.387 9.394 1.00 25.00 C ATOM 959 CG TRP A 56 1.881 -10.140 10.037 1.00 25.00 C ATOM 960 CD1 TRP A 56 2.171 -9.946 11.348 1.00 25.00 C ATOM 961 CD2 TRP A 56 2.200 -8.895 9.388 1.00 25.00 C ATOM 962 NE1 TRP A 56 2.640 -8.686 11.579 1.00 25.00 N ATOM 963 CE2 TRP A 56 2.684 -8.009 10.395 1.00 25.00 C ATOM 964 CE3 TRP A 56 2.134 -8.436 8.058 1.00 25.00 C ATOM 965 CZ2 TRP A 56 3.110 -6.701 10.106 1.00 25.00 C ATOM 966 CZ3 TRP A 56 2.562 -7.122 7.765 1.00 25.00 C ATOM 967 CH2 TRP A 56 3.041 -6.265 8.800 1.00 25.00 C ATOM 0 H TRP A 56 0.839 -13.423 8.152 1.00 25.00 H new ATOM 0 HA TRP A 56 2.701 -11.347 7.664 1.00 25.00 H new ATOM 0 HB2 TRP A 56 0.454 -11.154 8.839 1.00 25.00 H new ATOM 0 HB3 TRP A 56 1.089 -12.103 10.169 1.00 25.00 H new ATOM 0 HD1 TRP A 56 2.046 -10.697 12.114 1.00 25.00 H new ATOM 0 HE1 TRP A 56 2.913 -8.311 12.488 1.00 25.00 H new ATOM 0 HE3 TRP A 56 1.762 -9.079 7.274 1.00 25.00 H new ATOM 0 HZ2 TRP A 56 3.482 -6.054 10.887 1.00 25.00 H new ATOM 0 HZ3 TRP A 56 2.526 -6.763 6.747 1.00 25.00 H new ATOM 0 HH2 TRP A 56 3.354 -5.260 8.557 1.00 25.00 H new ATOM 978 N ARG A 57 3.692 -13.590 9.801 1.00 25.00 N ATOM 979 CA ARG A 57 4.870 -13.996 10.574 1.00 25.00 C ATOM 980 C ARG A 57 6.107 -14.028 9.685 1.00 25.00 C ATOM 981 O ARG A 57 7.149 -13.512 10.058 1.00 25.00 O ATOM 982 CB ARG A 57 4.630 -15.340 11.255 1.00 25.00 C ATOM 983 CG ARG A 57 3.734 -15.208 12.492 1.00 25.00 C ATOM 984 CD ARG A 57 3.113 -16.541 12.864 1.00 25.00 C ATOM 985 NE ARG A 57 2.222 -16.432 14.040 1.00 25.00 N ATOM 986 CZ ARG A 57 1.679 -17.454 14.694 1.00 25.00 C ATOM 987 NH1 ARG A 57 1.957 -18.699 14.393 1.00 25.00 N ATOM 988 NH2 ARG A 57 0.836 -17.227 15.664 1.00 25.00 N ATOM 0 H ARG A 57 2.958 -14.295 9.734 1.00 25.00 H new ATOM 0 HA ARG A 57 5.046 -13.259 11.357 1.00 25.00 H new ATOM 0 HB2 ARG A 57 4.169 -16.028 10.546 1.00 25.00 H new ATOM 0 HB3 ARG A 57 5.586 -15.775 11.545 1.00 25.00 H new ATOM 0 HG2 ARG A 57 4.320 -14.830 13.330 1.00 25.00 H new ATOM 0 HG3 ARG A 57 2.947 -14.479 12.298 1.00 25.00 H new ATOM 0 HD2 ARG A 57 2.547 -16.926 12.016 1.00 25.00 H new ATOM 0 HD3 ARG A 57 3.903 -17.262 13.074 1.00 25.00 H new ATOM 0 HE ARG A 57 2.006 -15.494 14.377 1.00 25.00 H new ATOM 0 HH11 ARG A 57 2.608 -18.908 13.636 1.00 25.00 H new ATOM 0 HH12 ARG A 57 1.522 -19.459 14.916 1.00 25.00 H new ATOM 0 HH21 ARG A 57 0.596 -16.269 15.917 1.00 25.00 H new ATOM 0 HH22 ARG A 57 0.417 -18.008 16.169 1.00 25.00 H new ATOM 1002 N ARG A 58 5.930 -14.500 8.459 1.00 25.00 N ATOM 1003 CA ARG A 58 7.003 -14.491 7.448 1.00 25.00 C ATOM 1004 C ARG A 58 7.558 -13.098 7.162 1.00 25.00 C ATOM 1005 O ARG A 58 8.703 -12.958 6.775 1.00 25.00 O ATOM 1006 CB ARG A 58 6.495 -15.072 6.132 1.00 25.00 C ATOM 1007 CG ARG A 58 6.198 -16.562 6.172 1.00 25.00 C ATOM 1008 CD ARG A 58 5.315 -16.943 4.995 1.00 25.00 C ATOM 1009 NE ARG A 58 5.917 -16.553 3.704 1.00 25.00 N ATOM 1010 CZ ARG A 58 5.234 -16.209 2.616 1.00 25.00 C ATOM 1011 NH1 ARG A 58 3.928 -16.196 2.592 1.00 25.00 N ATOM 1012 NH2 ARG A 58 5.871 -15.861 1.538 1.00 25.00 N ATOM 0 H ARG A 58 5.051 -14.899 8.129 1.00 25.00 H new ATOM 0 HA ARG A 58 7.806 -15.097 7.868 1.00 25.00 H new ATOM 0 HB2 ARG A 58 5.588 -14.542 5.842 1.00 25.00 H new ATOM 0 HB3 ARG A 58 7.237 -14.883 5.356 1.00 25.00 H new ATOM 0 HG2 ARG A 58 7.129 -17.129 6.139 1.00 25.00 H new ATOM 0 HG3 ARG A 58 5.702 -16.818 7.108 1.00 25.00 H new ATOM 0 HD2 ARG A 58 5.142 -18.019 5.004 1.00 25.00 H new ATOM 0 HD3 ARG A 58 4.342 -16.463 5.101 1.00 25.00 H new ATOM 0 HE ARG A 58 6.935 -16.547 3.642 1.00 25.00 H new ATOM 0 HH11 ARG A 58 3.400 -16.455 3.425 1.00 25.00 H new ATOM 0 HH12 ARG A 58 3.436 -15.927 1.740 1.00 25.00 H new ATOM 0 HH21 ARG A 58 6.891 -15.852 1.529 1.00 25.00 H new ATOM 0 HH22 ARG A 58 5.351 -15.596 0.701 1.00 25.00 H new ATOM 1026 N VAL A 59 6.747 -12.069 7.344 1.00 25.00 N ATOM 1027 CA VAL A 59 7.191 -10.694 7.109 1.00 25.00 C ATOM 1028 C VAL A 59 8.214 -10.307 8.162 1.00 25.00 C ATOM 1029 O VAL A 59 9.214 -9.656 7.877 1.00 25.00 O ATOM 1030 CB VAL A 59 5.998 -9.706 7.184 1.00 25.00 C ATOM 1031 CG1 VAL A 59 6.439 -8.284 6.956 1.00 25.00 C ATOM 1032 CG2 VAL A 59 4.945 -10.091 6.163 1.00 25.00 C ATOM 0 H VAL A 59 5.779 -12.153 7.653 1.00 25.00 H new ATOM 0 HA VAL A 59 7.631 -10.642 6.113 1.00 25.00 H new ATOM 0 HB VAL A 59 5.576 -9.767 8.187 1.00 25.00 H new ATOM 0 HG11 VAL A 59 5.576 -7.621 7.016 1.00 25.00 H new ATOM 0 HG12 VAL A 59 7.167 -8.002 7.717 1.00 25.00 H new ATOM 0 HG13 VAL A 59 6.894 -8.198 5.969 1.00 25.00 H new ATOM 0 HG21 VAL A 59 4.110 -9.393 6.221 1.00 25.00 H new ATOM 0 HG22 VAL A 59 5.378 -10.057 5.163 1.00 25.00 H new ATOM 0 HG23 VAL A 59 4.589 -11.100 6.370 1.00 25.00 H new ATOM 1042 N GLY A 60 7.969 -10.737 9.386 1.00 25.00 N ATOM 1043 CA GLY A 60 8.873 -10.424 10.470 1.00 25.00 C ATOM 1044 C GLY A 60 10.144 -11.227 10.352 1.00 25.00 C ATOM 1045 O GLY A 60 11.228 -10.723 10.631 1.00 25.00 O ATOM 0 H GLY A 60 7.159 -11.298 9.650 1.00 25.00 H new ATOM 0 HA2 GLY A 60 9.107 -9.359 10.459 1.00 25.00 H new ATOM 0 HA3 GLY A 60 8.391 -10.635 11.425 1.00 25.00 H new ATOM 1049 N ASP A 61 10.014 -12.455 9.873 1.00 25.00 N ATOM 1050 CA ASP A 61 11.174 -13.313 9.626 1.00 25.00 C ATOM 1051 C ASP A 61 12.050 -12.628 8.570 1.00 25.00 C ATOM 1052 O ASP A 61 13.273 -12.596 8.675 1.00 25.00 O ATOM 1053 CB ASP A 61 10.728 -14.695 9.114 1.00 25.00 C ATOM 1054 CG ASP A 61 9.819 -15.434 10.099 1.00 25.00 C ATOM 1055 OD1 ASP A 61 9.976 -15.264 11.325 1.00 25.00 O ATOM 1056 OD2 ASP A 61 8.919 -16.174 9.628 1.00 25.00 O ATOM 0 H ASP A 61 9.117 -12.885 9.646 1.00 25.00 H new ATOM 0 HA ASP A 61 11.729 -13.460 10.552 1.00 25.00 H new ATOM 0 HB2 ASP A 61 10.204 -14.573 8.166 1.00 25.00 H new ATOM 0 HB3 ASP A 61 11.610 -15.304 8.915 1.00 25.00 H new ATOM 1061 N CYS A 62 11.398 -12.032 7.579 1.00 25.00 N ATOM 1062 CA CYS A 62 12.086 -11.303 6.515 1.00 25.00 C ATOM 1063 C CYS A 62 12.817 -10.079 7.048 1.00 25.00 C ATOM 1064 O CYS A 62 13.957 -9.821 6.675 1.00 25.00 O ATOM 1065 CB CYS A 62 11.074 -10.842 5.469 1.00 25.00 C ATOM 1066 SG CYS A 62 11.744 -10.769 3.790 1.00 25.00 S ATOM 0 H CYS A 62 10.382 -12.039 7.488 1.00 25.00 H new ATOM 0 HA CYS A 62 12.817 -11.982 6.076 1.00 25.00 H new ATOM 0 HB2 CYS A 62 10.219 -11.519 5.480 1.00 25.00 H new ATOM 0 HB3 CYS A 62 10.703 -9.855 5.746 1.00 25.00 H new ATOM 0 HG CYS A 62 10.861 -11.223 2.950 1.00 25.00 H new ATOM 1072 N PHE A 63 12.170 -9.321 7.926 1.00 25.00 N ATOM 1073 CA PHE A 63 12.810 -8.139 8.499 1.00 25.00 C ATOM 1074 C PHE A 63 14.032 -8.562 9.282 1.00 25.00 C ATOM 1075 O PHE A 63 15.037 -7.877 9.263 1.00 25.00 O ATOM 1076 CB PHE A 63 11.898 -7.391 9.477 1.00 25.00 C ATOM 1077 CG PHE A 63 10.680 -6.747 8.853 1.00 25.00 C ATOM 1078 CD1 PHE A 63 10.682 -6.280 7.519 1.00 25.00 C ATOM 1079 CD2 PHE A 63 9.521 -6.563 9.632 1.00 25.00 C ATOM 1080 CE1 PHE A 63 9.543 -5.631 6.979 1.00 25.00 C ATOM 1081 CE2 PHE A 63 8.382 -5.914 9.102 1.00 25.00 C ATOM 1082 CZ PHE A 63 8.397 -5.443 7.777 1.00 25.00 C ATOM 0 H PHE A 63 11.220 -9.497 8.253 1.00 25.00 H new ATOM 0 HA PHE A 63 13.056 -7.483 7.664 1.00 25.00 H new ATOM 0 HB2 PHE A 63 11.567 -8.088 10.247 1.00 25.00 H new ATOM 0 HB3 PHE A 63 12.483 -6.619 9.977 1.00 25.00 H new ATOM 0 HD1 PHE A 63 11.560 -6.419 6.905 1.00 25.00 H new ATOM 0 HD2 PHE A 63 9.502 -6.923 10.650 1.00 25.00 H new ATOM 0 HE1 PHE A 63 9.554 -5.281 5.957 1.00 25.00 H new ATOM 0 HE2 PHE A 63 7.502 -5.780 9.714 1.00 25.00 H new ATOM 0 HZ PHE A 63 7.532 -4.938 7.372 1.00 25.00 H new ATOM 1092 N GLN A 64 13.933 -9.677 9.990 1.00 25.00 N ATOM 1093 CA GLN A 64 15.031 -10.148 10.823 1.00 25.00 C ATOM 1094 C GLN A 64 16.217 -10.539 9.957 1.00 25.00 C ATOM 1095 O GLN A 64 17.351 -10.199 10.263 1.00 25.00 O ATOM 1096 CB GLN A 64 14.569 -11.339 11.670 1.00 25.00 C ATOM 1097 CG GLN A 64 15.580 -11.781 12.712 1.00 25.00 C ATOM 1098 CD GLN A 64 15.056 -12.915 13.563 1.00 25.00 C ATOM 1099 OE1 GLN A 64 14.353 -12.700 14.537 1.00 25.00 O ATOM 1100 NE2 GLN A 64 15.390 -14.125 13.197 1.00 25.00 N ATOM 0 H GLN A 64 13.105 -10.272 10.005 1.00 25.00 H new ATOM 0 HA GLN A 64 15.342 -9.344 11.490 1.00 25.00 H new ATOM 0 HB2 GLN A 64 13.637 -11.077 12.171 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.351 -12.179 11.010 1.00 25.00 H new ATOM 0 HG2 GLN A 64 16.499 -12.094 12.216 1.00 25.00 H new ATOM 0 HG3 GLN A 64 15.835 -10.936 13.351 1.00 25.00 H new ATOM 0 HE21 GLN A 64 15.980 -14.265 12.377 1.00 25.00 H new ATOM 0 HE22 GLN A 64 15.061 -14.929 13.732 1.00 25.00 H new ATOM 1109 N ASP A 65 15.957 -11.228 8.861 1.00 25.00 N ATOM 1110 CA ASP A 65 17.026 -11.653 7.962 1.00 25.00 C ATOM 1111 C ASP A 65 17.691 -10.458 7.292 1.00 25.00 C ATOM 1112 O ASP A 65 18.914 -10.349 7.237 1.00 25.00 O ATOM 1113 CB ASP A 65 16.453 -12.577 6.897 1.00 25.00 C ATOM 1114 CG ASP A 65 17.526 -13.387 6.195 1.00 25.00 C ATOM 1115 OD1 ASP A 65 18.512 -13.772 6.861 1.00 25.00 O ATOM 1116 OD2 ASP A 65 17.363 -13.676 4.992 1.00 25.00 O ATOM 0 H ASP A 65 15.020 -11.507 8.569 1.00 25.00 H new ATOM 0 HA ASP A 65 17.779 -12.178 8.549 1.00 25.00 H new ATOM 0 HB2 ASP A 65 15.733 -13.254 7.357 1.00 25.00 H new ATOM 0 HB3 ASP A 65 15.909 -11.985 6.161 1.00 25.00 H new ATOM 1121 N TYR A 66 16.878 -9.523 6.826 1.00 25.00 N ATOM 1122 CA TYR A 66 17.392 -8.319 6.184 1.00 25.00 C ATOM 1123 C TYR A 66 18.174 -7.478 7.198 1.00 25.00 C ATOM 1124 O TYR A 66 19.194 -6.863 6.868 1.00 25.00 O ATOM 1125 CB TYR A 66 16.230 -7.516 5.599 1.00 25.00 C ATOM 1126 CG TYR A 66 16.612 -6.673 4.401 1.00 25.00 C ATOM 1127 CD1 TYR A 66 17.291 -5.447 4.554 1.00 25.00 C ATOM 1128 CD2 TYR A 66 16.290 -7.102 3.097 1.00 25.00 C ATOM 1129 CE1 TYR A 66 17.631 -4.657 3.421 1.00 25.00 C ATOM 1130 CE2 TYR A 66 16.632 -6.314 1.965 1.00 25.00 C ATOM 1131 CZ TYR A 66 17.292 -5.099 2.140 1.00 25.00 C ATOM 1132 OH TYR A 66 17.608 -4.333 1.047 1.00 25.00 O ATOM 0 H TYR A 66 15.861 -9.573 6.879 1.00 25.00 H new ATOM 0 HA TYR A 66 18.068 -8.598 5.376 1.00 25.00 H new ATOM 0 HB2 TYR A 66 15.435 -8.203 5.309 1.00 25.00 H new ATOM 0 HB3 TYR A 66 15.823 -6.866 6.374 1.00 25.00 H new ATOM 0 HD1 TYR A 66 17.556 -5.104 5.543 1.00 25.00 H new ATOM 0 HD2 TYR A 66 15.777 -8.042 2.957 1.00 25.00 H new ATOM 0 HE1 TYR A 66 18.150 -3.719 3.551 1.00 25.00 H new ATOM 0 HE2 TYR A 66 16.381 -6.656 0.972 1.00 25.00 H new ATOM 0 HH TYR A 66 17.303 -4.784 0.232 1.00 25.00 H new ATOM 1142 N PHE A 67 17.722 -7.488 8.446 1.00 25.00 N ATOM 1143 CA PHE A 67 18.421 -6.772 9.517 1.00 25.00 C ATOM 1144 C PHE A 67 19.760 -7.443 9.814 1.00 25.00 C ATOM 1145 O PHE A 67 20.752 -6.769 10.041 1.00 25.00 O ATOM 1146 CB PHE A 67 17.568 -6.738 10.788 1.00 25.00 C ATOM 1147 CG PHE A 67 18.159 -5.909 11.897 1.00 25.00 C ATOM 1148 CD1 PHE A 67 19.083 -6.469 12.800 1.00 25.00 C ATOM 1149 CD2 PHE A 67 17.777 -4.564 12.060 1.00 25.00 C ATOM 1150 CE1 PHE A 67 19.631 -5.691 13.850 1.00 25.00 C ATOM 1151 CE2 PHE A 67 18.308 -3.783 13.109 1.00 25.00 C ATOM 1152 CZ PHE A 67 19.242 -4.345 14.004 1.00 25.00 C ATOM 0 H PHE A 67 16.880 -7.980 8.745 1.00 25.00 H new ATOM 0 HA PHE A 67 18.598 -5.749 9.185 1.00 25.00 H new ATOM 0 HB2 PHE A 67 16.581 -6.346 10.541 1.00 25.00 H new ATOM 0 HB3 PHE A 67 17.426 -7.758 11.146 1.00 25.00 H new ATOM 0 HD1 PHE A 67 19.377 -7.502 12.691 1.00 25.00 H new ATOM 0 HD2 PHE A 67 17.069 -4.124 11.374 1.00 25.00 H new ATOM 0 HE1 PHE A 67 20.346 -6.129 14.531 1.00 25.00 H new ATOM 0 HE2 PHE A 67 17.999 -2.755 13.226 1.00 25.00 H new ATOM 0 HZ PHE A 67 19.657 -3.748 14.803 1.00 25.00 H new ATOM 1162 N ASN A 68 19.805 -8.766 9.777 1.00 25.00 N ATOM 1163 CA ASN A 68 21.059 -9.481 10.019 1.00 25.00 C ATOM 1164 C ASN A 68 22.035 -9.208 8.882 1.00 25.00 C ATOM 1165 O ASN A 68 23.242 -9.159 9.081 1.00 25.00 O ATOM 1166 CB ASN A 68 20.823 -10.995 10.111 1.00 25.00 C ATOM 1167 CG ASN A 68 20.051 -11.395 11.340 1.00 25.00 C ATOM 1168 OD1 ASN A 68 20.116 -10.750 12.375 1.00 25.00 O ATOM 1169 ND2 ASN A 68 19.331 -12.480 11.240 1.00 25.00 N ATOM 0 H ASN A 68 19.002 -9.364 9.585 1.00 25.00 H new ATOM 0 HA ASN A 68 21.469 -9.127 10.965 1.00 25.00 H new ATOM 0 HB2 ASN A 68 20.283 -11.328 9.225 1.00 25.00 H new ATOM 0 HB3 ASN A 68 21.785 -11.508 10.109 1.00 25.00 H new ATOM 0 HD21 ASN A 68 18.799 -12.815 12.043 1.00 25.00 H new ATOM 0 HD22 ASN A 68 19.301 -12.993 10.359 1.00 25.00 H new ATOM 1176 N THR A 69 21.496 -9.043 7.682 1.00 25.00 N ATOM 1177 CA THR A 69 22.312 -8.812 6.494 1.00 25.00 C ATOM 1178 C THR A 69 22.950 -7.420 6.475 1.00 25.00 C ATOM 1179 O THR A 69 24.121 -7.280 6.126 1.00 25.00 O ATOM 1180 CB THR A 69 21.452 -8.976 5.208 1.00 25.00 C ATOM 1181 OG1 THR A 69 20.835 -10.266 5.207 1.00 25.00 O ATOM 1182 CG2 THR A 69 22.296 -8.874 3.944 1.00 25.00 C ATOM 0 H THR A 69 20.492 -9.065 7.503 1.00 25.00 H new ATOM 0 HA THR A 69 23.111 -9.553 6.523 1.00 25.00 H new ATOM 0 HB THR A 69 20.712 -8.176 5.212 1.00 25.00 H new ATOM 0 HG1 THR A 69 20.160 -10.307 5.917 1.00 25.00 H new ATOM 0 HG21 THR A 69 21.657 -8.994 3.069 1.00 25.00 H new ATOM 0 HG22 THR A 69 22.781 -7.899 3.908 1.00 25.00 H new ATOM 0 HG23 THR A 69 23.055 -9.656 3.949 1.00 25.00 H new ATOM 1190 N PHE A 70 22.174 -6.383 6.780 1.00 25.00 N ATOM 1191 CA PHE A 70 22.669 -5.007 6.634 1.00 25.00 C ATOM 1192 C PHE A 70 22.555 -4.074 7.848 1.00 25.00 C ATOM 1193 O PHE A 70 22.889 -2.889 7.757 1.00 25.00 O ATOM 1194 CB PHE A 70 21.994 -4.368 5.429 1.00 25.00 C ATOM 1195 CG PHE A 70 22.942 -4.082 4.300 1.00 25.00 C ATOM 1196 CD1 PHE A 70 24.005 -3.172 4.476 1.00 25.00 C ATOM 1197 CD2 PHE A 70 22.792 -4.726 3.060 1.00 25.00 C ATOM 1198 CE1 PHE A 70 24.913 -2.904 3.420 1.00 25.00 C ATOM 1199 CE2 PHE A 70 23.694 -4.467 1.995 1.00 25.00 C ATOM 1200 CZ PHE A 70 24.756 -3.554 2.179 1.00 25.00 C ATOM 0 H PHE A 70 21.217 -6.460 7.124 1.00 25.00 H new ATOM 0 HA PHE A 70 23.746 -5.122 6.510 1.00 25.00 H new ATOM 0 HB2 PHE A 70 21.203 -5.028 5.072 1.00 25.00 H new ATOM 0 HB3 PHE A 70 21.518 -3.438 5.739 1.00 25.00 H new ATOM 0 HD1 PHE A 70 24.129 -2.673 5.426 1.00 25.00 H new ATOM 0 HD2 PHE A 70 21.982 -5.425 2.916 1.00 25.00 H new ATOM 0 HE1 PHE A 70 25.722 -2.204 3.566 1.00 25.00 H new ATOM 0 HE2 PHE A 70 23.569 -4.967 1.046 1.00 25.00 H new ATOM 0 HZ PHE A 70 25.445 -3.355 1.372 1.00 25.00 H new ATOM 1210 N GLY A 71 22.123 -4.595 8.983 1.00 25.00 N ATOM 1211 CA GLY A 71 22.082 -3.803 10.202 1.00 25.00 C ATOM 1212 C GLY A 71 20.923 -2.824 10.319 1.00 25.00 C ATOM 1213 O GLY A 71 20.005 -2.803 9.479 1.00 25.00 O ATOM 0 H GLY A 71 21.798 -5.556 9.087 1.00 25.00 H new ATOM 0 HA2 GLY A 71 22.045 -4.483 11.053 1.00 25.00 H new ATOM 0 HA3 GLY A 71 23.014 -3.244 10.281 1.00 25.00 H new ATOM 1217 N PRO A 72 20.946 -1.964 11.359 1.00 25.00 N ATOM 1218 CA PRO A 72 19.862 -1.003 11.598 1.00 25.00 C ATOM 1219 C PRO A 72 19.789 0.119 10.571 1.00 25.00 C ATOM 1220 O PRO A 72 18.797 0.839 10.494 1.00 25.00 O ATOM 1221 CB PRO A 72 20.192 -0.455 12.987 1.00 25.00 C ATOM 1222 CG PRO A 72 21.662 -0.537 13.065 1.00 25.00 C ATOM 1223 CD PRO A 72 21.990 -1.848 12.397 1.00 25.00 C ATOM 0 HA PRO A 72 18.884 -1.478 11.521 1.00 25.00 H new ATOM 0 HB2 PRO A 72 19.843 0.571 13.104 1.00 25.00 H new ATOM 0 HB3 PRO A 72 19.718 -1.045 13.771 1.00 25.00 H new ATOM 0 HG2 PRO A 72 22.136 0.301 12.554 1.00 25.00 H new ATOM 0 HG3 PRO A 72 22.009 -0.518 14.098 1.00 25.00 H new ATOM 0 HD2 PRO A 72 22.990 -1.841 11.964 1.00 25.00 H new ATOM 0 HD3 PRO A 72 21.953 -2.680 13.101 1.00 25.00 H new ATOM 1231 N GLU A 73 20.832 0.240 9.763 1.00 25.00 N ATOM 1232 CA GLU A 73 20.901 1.264 8.725 1.00 25.00 C ATOM 1233 C GLU A 73 19.918 0.976 7.595 1.00 25.00 C ATOM 1234 O GLU A 73 19.605 1.854 6.793 1.00 25.00 O ATOM 1235 CB GLU A 73 22.321 1.314 8.148 1.00 25.00 C ATOM 1236 CG GLU A 73 23.407 1.512 9.201 1.00 25.00 C ATOM 1237 CD GLU A 73 23.157 2.737 10.067 1.00 25.00 C ATOM 1238 OE1 GLU A 73 23.035 3.849 9.513 1.00 25.00 O ATOM 1239 OE2 GLU A 73 23.058 2.576 11.302 1.00 25.00 O ATOM 0 H GLU A 73 21.652 -0.365 9.806 1.00 25.00 H new ATOM 0 HA GLU A 73 20.640 2.220 9.178 1.00 25.00 H new ATOM 0 HB2 GLU A 73 22.516 0.388 7.608 1.00 25.00 H new ATOM 0 HB3 GLU A 73 22.380 2.125 7.422 1.00 25.00 H new ATOM 0 HG2 GLU A 73 23.461 0.627 9.835 1.00 25.00 H new ATOM 0 HG3 GLU A 73 24.374 1.610 8.708 1.00 25.00 H new ATOM 1246 N LYS A 74 19.456 -0.267 7.510 1.00 25.00 N ATOM 1247 CA LYS A 74 18.538 -0.673 6.439 1.00 25.00 C ATOM 1248 C LYS A 74 17.154 -1.020 6.953 1.00 25.00 C ATOM 1249 O LYS A 74 16.163 -0.657 6.329 1.00 25.00 O ATOM 1250 CB LYS A 74 19.118 -1.849 5.662 1.00 25.00 C ATOM 1251 CG LYS A 74 19.855 -1.439 4.370 1.00 25.00 C ATOM 1252 CD LYS A 74 21.147 -0.641 4.636 1.00 25.00 C ATOM 1253 CE LYS A 74 21.798 -0.171 3.340 1.00 25.00 C ATOM 1254 NZ LYS A 74 22.177 -1.314 2.445 1.00 25.00 N ATOM 0 H LYS A 74 19.698 -1.011 8.164 1.00 25.00 H new ATOM 0 HA LYS A 74 18.427 0.185 5.776 1.00 25.00 H new ATOM 0 HB2 LYS A 74 19.809 -2.393 6.306 1.00 25.00 H new ATOM 0 HB3 LYS A 74 18.312 -2.537 5.407 1.00 25.00 H new ATOM 0 HG2 LYS A 74 20.100 -2.335 3.799 1.00 25.00 H new ATOM 0 HG3 LYS A 74 19.186 -0.840 3.752 1.00 25.00 H new ATOM 0 HD2 LYS A 74 20.919 0.222 5.262 1.00 25.00 H new ATOM 0 HD3 LYS A 74 21.850 -1.262 5.192 1.00 25.00 H new ATOM 0 HE2 LYS A 74 21.112 0.490 2.810 1.00 25.00 H new ATOM 0 HE3 LYS A 74 22.687 0.414 3.574 1.00 25.00 H new ATOM 0 HZ1 LYS A 74 22.706 -0.953 1.626 1.00 25.00 H new ATOM 0 HZ2 LYS A 74 22.771 -1.985 2.972 1.00 25.00 H new ATOM 0 HZ3 LYS A 74 21.317 -1.797 2.116 1.00 25.00 H new ATOM 1268 N VAL A 75 17.068 -1.670 8.105 1.00 25.00 N ATOM 1269 CA VAL A 75 15.764 -1.897 8.726 1.00 25.00 C ATOM 1270 C VAL A 75 15.853 -1.265 10.105 1.00 25.00 C ATOM 1271 O VAL A 75 16.766 -1.568 10.860 1.00 25.00 O ATOM 1272 CB VAL A 75 15.476 -3.433 8.867 1.00 25.00 C ATOM 1273 CG1 VAL A 75 14.146 -3.696 9.589 1.00 25.00 C ATOM 1274 CG2 VAL A 75 15.454 -4.104 7.495 1.00 25.00 C ATOM 0 H VAL A 75 17.864 -2.043 8.622 1.00 25.00 H new ATOM 0 HA VAL A 75 14.960 -1.470 8.126 1.00 25.00 H new ATOM 0 HB VAL A 75 16.281 -3.859 9.466 1.00 25.00 H new ATOM 0 HG11 VAL A 75 13.981 -4.771 9.668 1.00 25.00 H new ATOM 0 HG12 VAL A 75 14.182 -3.260 10.587 1.00 25.00 H new ATOM 0 HG13 VAL A 75 13.330 -3.244 9.025 1.00 25.00 H new ATOM 0 HG21 VAL A 75 15.253 -5.169 7.614 1.00 25.00 H new ATOM 0 HG22 VAL A 75 14.673 -3.653 6.882 1.00 25.00 H new ATOM 0 HG23 VAL A 75 16.420 -3.969 7.009 1.00 25.00 H new ATOM 1284 N PRO A 76 14.866 -0.442 10.492 1.00 25.00 N ATOM 1285 CA PRO A 76 15.007 0.096 11.847 1.00 25.00 C ATOM 1286 C PRO A 76 14.581 -0.915 12.896 1.00 25.00 C ATOM 1287 O PRO A 76 13.713 -1.744 12.652 1.00 25.00 O ATOM 1288 CB PRO A 76 14.072 1.301 11.831 1.00 25.00 C ATOM 1289 CG PRO A 76 12.999 0.925 10.880 1.00 25.00 C ATOM 1290 CD PRO A 76 13.674 0.098 9.807 1.00 25.00 C ATOM 0 HA PRO A 76 16.036 0.349 12.101 1.00 25.00 H new ATOM 0 HB2 PRO A 76 13.670 1.504 12.823 1.00 25.00 H new ATOM 0 HB3 PRO A 76 14.592 2.203 11.507 1.00 25.00 H new ATOM 0 HG2 PRO A 76 12.216 0.355 11.379 1.00 25.00 H new ATOM 0 HG3 PRO A 76 12.526 1.810 10.453 1.00 25.00 H new ATOM 0 HD2 PRO A 76 13.024 -0.698 9.444 1.00 25.00 H new ATOM 0 HD3 PRO A 76 13.947 0.705 8.944 1.00 25.00 H new ATOM 1298 N VAL A 77 15.117 -0.803 14.101 1.00 25.00 N ATOM 1299 CA VAL A 77 14.711 -1.700 15.184 1.00 25.00 C ATOM 1300 C VAL A 77 13.237 -1.482 15.550 1.00 25.00 C ATOM 1301 O VAL A 77 12.572 -2.377 16.066 1.00 25.00 O ATOM 1302 CB VAL A 77 15.615 -1.525 16.440 1.00 25.00 C ATOM 1303 CG1 VAL A 77 17.058 -1.933 16.113 1.00 25.00 C ATOM 1304 CG2 VAL A 77 15.591 -0.070 16.956 1.00 25.00 C ATOM 0 H VAL A 77 15.823 -0.113 14.357 1.00 25.00 H new ATOM 0 HA VAL A 77 14.832 -2.722 14.825 1.00 25.00 H new ATOM 0 HB VAL A 77 15.221 -2.171 17.225 1.00 25.00 H new ATOM 0 HG11 VAL A 77 17.681 -1.807 16.998 1.00 25.00 H new ATOM 0 HG12 VAL A 77 17.079 -2.977 15.800 1.00 25.00 H new ATOM 0 HG13 VAL A 77 17.440 -1.305 15.308 1.00 25.00 H new ATOM 0 HG21 VAL A 77 16.233 0.016 17.833 1.00 25.00 H new ATOM 0 HG22 VAL A 77 15.953 0.599 16.175 1.00 25.00 H new ATOM 0 HG23 VAL A 77 14.571 0.204 17.225 1.00 25.00 H new ATOM 1314 N THR A 78 12.697 -0.315 15.218 1.00 25.00 N ATOM 1315 CA THR A 78 11.288 -0.039 15.492 1.00 25.00 C ATOM 1316 C THR A 78 10.378 -0.773 14.520 1.00 25.00 C ATOM 1317 O THR A 78 9.208 -0.965 14.807 1.00 25.00 O ATOM 1318 CB THR A 78 10.971 1.479 15.462 1.00 25.00 C ATOM 1319 OG1 THR A 78 9.776 1.730 16.204 1.00 25.00 O ATOM 1320 CG2 THR A 78 10.776 2.013 14.061 1.00 25.00 C ATOM 0 H THR A 78 13.203 0.446 14.765 1.00 25.00 H new ATOM 0 HA THR A 78 11.096 -0.405 16.501 1.00 25.00 H new ATOM 0 HB THR A 78 11.830 1.987 15.900 1.00 25.00 H new ATOM 0 HG1 THR A 78 9.111 1.040 15.997 1.00 25.00 H new ATOM 0 HG21 THR A 78 10.557 3.080 14.105 1.00 25.00 H new ATOM 0 HG22 THR A 78 11.685 1.853 13.481 1.00 25.00 H new ATOM 0 HG23 THR A 78 9.945 1.492 13.585 1.00 25.00 H new ATOM 1328 N ALA A 79 10.907 -1.234 13.391 1.00 25.00 N ATOM 1329 CA ALA A 79 10.080 -1.968 12.438 1.00 25.00 C ATOM 1330 C ALA A 79 9.553 -3.240 13.091 1.00 25.00 C ATOM 1331 O ALA A 79 8.426 -3.628 12.854 1.00 25.00 O ATOM 1332 CB ALA A 79 10.869 -2.295 11.188 1.00 25.00 C ATOM 0 H ALA A 79 11.882 -1.117 13.117 1.00 25.00 H new ATOM 0 HA ALA A 79 9.235 -1.344 12.147 1.00 25.00 H new ATOM 0 HB1 ALA A 79 10.235 -2.842 10.490 1.00 25.00 H new ATOM 0 HB2 ALA A 79 11.210 -1.371 10.721 1.00 25.00 H new ATOM 0 HB3 ALA A 79 11.731 -2.908 11.452 1.00 25.00 H new ATOM 1338 N PHE A 80 10.350 -3.854 13.952 1.00 25.00 N ATOM 1339 CA PHE A 80 9.927 -5.060 14.664 1.00 25.00 C ATOM 1340 C PHE A 80 8.867 -4.744 15.716 1.00 25.00 C ATOM 1341 O PHE A 80 8.000 -5.560 16.012 1.00 25.00 O ATOM 1342 CB PHE A 80 11.132 -5.705 15.343 1.00 25.00 C ATOM 1343 CG PHE A 80 12.209 -6.106 14.382 1.00 25.00 C ATOM 1344 CD1 PHE A 80 12.139 -7.342 13.719 1.00 25.00 C ATOM 1345 CD2 PHE A 80 13.297 -5.248 14.122 1.00 25.00 C ATOM 1346 CE1 PHE A 80 13.138 -7.724 12.806 1.00 25.00 C ATOM 1347 CE2 PHE A 80 14.300 -5.614 13.199 1.00 25.00 C ATOM 1348 CZ PHE A 80 14.220 -6.857 12.539 1.00 25.00 C ATOM 0 H PHE A 80 11.294 -3.541 14.178 1.00 25.00 H new ATOM 0 HA PHE A 80 9.494 -5.745 13.935 1.00 25.00 H new ATOM 0 HB2 PHE A 80 11.546 -5.008 16.072 1.00 25.00 H new ATOM 0 HB3 PHE A 80 10.801 -6.585 15.895 1.00 25.00 H new ATOM 0 HD1 PHE A 80 11.309 -8.006 13.912 1.00 25.00 H new ATOM 0 HD2 PHE A 80 13.364 -4.300 14.635 1.00 25.00 H new ATOM 0 HE1 PHE A 80 13.078 -8.681 12.309 1.00 25.00 H new ATOM 0 HE2 PHE A 80 15.124 -4.945 12.999 1.00 25.00 H new ATOM 0 HZ PHE A 80 14.984 -7.145 11.832 1.00 25.00 H new ATOM 1358 N SER A 81 8.930 -3.545 16.270 1.00 25.00 N ATOM 1359 CA SER A 81 7.968 -3.115 17.287 1.00 25.00 C ATOM 1360 C SER A 81 6.638 -2.840 16.599 1.00 25.00 C ATOM 1361 O SER A 81 5.584 -3.310 17.025 1.00 25.00 O ATOM 1362 CB SER A 81 8.465 -1.853 17.998 1.00 25.00 C ATOM 1363 OG SER A 81 7.572 -1.472 19.029 1.00 25.00 O ATOM 0 H SER A 81 9.636 -2.847 16.036 1.00 25.00 H new ATOM 0 HA SER A 81 7.849 -3.897 18.037 1.00 25.00 H new ATOM 0 HB2 SER A 81 9.455 -2.032 18.416 1.00 25.00 H new ATOM 0 HB3 SER A 81 8.565 -1.040 17.279 1.00 25.00 H new ATOM 0 HG SER A 81 7.908 -0.665 19.472 1.00 25.00 H new ATOM 1369 N TYR A 82 6.713 -2.149 15.474 1.00 25.00 N ATOM 1370 CA TYR A 82 5.545 -1.884 14.651 1.00 25.00 C ATOM 1371 C TYR A 82 4.957 -3.196 14.165 1.00 25.00 C ATOM 1372 O TYR A 82 3.757 -3.404 14.213 1.00 25.00 O ATOM 1373 CB TYR A 82 5.940 -1.027 13.451 1.00 25.00 C ATOM 1374 CG TYR A 82 5.728 0.446 13.686 1.00 25.00 C ATOM 1375 CD1 TYR A 82 4.495 1.034 13.364 1.00 25.00 C ATOM 1376 CD2 TYR A 82 6.749 1.264 14.228 1.00 25.00 C ATOM 1377 CE1 TYR A 82 4.275 2.422 13.564 1.00 25.00 C ATOM 1378 CE2 TYR A 82 6.529 2.655 14.429 1.00 25.00 C ATOM 1379 CZ TYR A 82 5.295 3.218 14.089 1.00 25.00 C ATOM 1380 OH TYR A 82 5.083 4.561 14.270 1.00 25.00 O ATOM 0 H TYR A 82 7.580 -1.758 15.107 1.00 25.00 H new ATOM 0 HA TYR A 82 4.803 -1.350 15.245 1.00 25.00 H new ATOM 0 HB2 TYR A 82 6.989 -1.204 13.214 1.00 25.00 H new ATOM 0 HB3 TYR A 82 5.360 -1.338 12.582 1.00 25.00 H new ATOM 0 HD1 TYR A 82 3.703 0.422 12.959 1.00 25.00 H new ATOM 0 HD2 TYR A 82 7.702 0.829 14.491 1.00 25.00 H new ATOM 0 HE1 TYR A 82 3.321 2.861 13.311 1.00 25.00 H new ATOM 0 HE2 TYR A 82 7.312 3.274 14.842 1.00 25.00 H new ATOM 0 HH TYR A 82 5.890 4.972 14.644 1.00 25.00 H new ATOM 1390 N TRP A 83 5.814 -4.099 13.728 1.00 25.00 N ATOM 1391 CA TRP A 83 5.381 -5.394 13.228 1.00 25.00 C ATOM 1392 C TRP A 83 4.596 -6.172 14.282 1.00 25.00 C ATOM 1393 O TRP A 83 3.613 -6.848 13.966 1.00 25.00 O ATOM 1394 CB TRP A 83 6.612 -6.202 12.810 1.00 25.00 C ATOM 1395 CG TRP A 83 6.312 -7.624 12.471 1.00 25.00 C ATOM 1396 CD1 TRP A 83 5.888 -8.128 11.285 1.00 25.00 C ATOM 1397 CD2 TRP A 83 6.412 -8.758 13.354 1.00 25.00 C ATOM 1398 NE1 TRP A 83 5.697 -9.478 11.351 1.00 25.00 N ATOM 1399 CE2 TRP A 83 6.016 -9.907 12.610 1.00 25.00 C ATOM 1400 CE3 TRP A 83 6.804 -8.921 14.698 1.00 25.00 C ATOM 1401 CZ2 TRP A 83 6.008 -11.199 13.170 1.00 25.00 C ATOM 1402 CZ3 TRP A 83 6.797 -10.219 15.265 1.00 25.00 C ATOM 1403 CH2 TRP A 83 6.399 -11.346 14.488 1.00 25.00 C ATOM 0 H TRP A 83 6.824 -3.959 13.709 1.00 25.00 H new ATOM 0 HA TRP A 83 4.722 -5.230 12.375 1.00 25.00 H new ATOM 0 HB2 TRP A 83 7.074 -5.722 11.947 1.00 25.00 H new ATOM 0 HB3 TRP A 83 7.343 -6.177 13.618 1.00 25.00 H new ATOM 0 HD1 TRP A 83 5.722 -7.534 10.398 1.00 25.00 H new ATOM 0 HE1 TRP A 83 5.370 -10.070 10.587 1.00 25.00 H new ATOM 0 HE3 TRP A 83 7.106 -8.068 15.288 1.00 25.00 H new ATOM 0 HZ2 TRP A 83 5.704 -12.054 12.584 1.00 25.00 H new ATOM 0 HZ3 TRP A 83 7.095 -10.356 16.294 1.00 25.00 H new ATOM 0 HH2 TRP A 83 6.403 -12.329 14.935 1.00 25.00 H new ATOM 1414 N ASN A 84 5.015 -6.058 15.535 1.00 25.00 N ATOM 1415 CA ASN A 84 4.365 -6.770 16.638 1.00 25.00 C ATOM 1416 C ASN A 84 2.939 -6.268 16.856 1.00 25.00 C ATOM 1417 O ASN A 84 2.054 -7.043 17.219 1.00 25.00 O ATOM 1418 CB ASN A 84 5.168 -6.617 17.935 1.00 25.00 C ATOM 1419 CG ASN A 84 6.094 -7.785 18.187 1.00 25.00 C ATOM 1420 OD1 ASN A 84 5.661 -8.861 18.580 1.00 25.00 O ATOM 1421 ND2 ASN A 84 7.359 -7.588 17.962 1.00 25.00 N ATOM 0 H ASN A 84 5.805 -5.478 15.818 1.00 25.00 H new ATOM 0 HA ASN A 84 4.326 -7.825 16.366 1.00 25.00 H new ATOM 0 HB2 ASN A 84 5.752 -5.698 17.890 1.00 25.00 H new ATOM 0 HB3 ASN A 84 4.480 -6.516 18.774 1.00 25.00 H new ATOM 0 HD21 ASN A 84 8.027 -8.344 18.112 1.00 25.00 H new ATOM 0 HD22 ASN A 84 7.683 -6.678 17.635 1.00 25.00 H new ATOM 1428 N LEU A 85 2.712 -4.988 16.596 1.00 25.00 N ATOM 1429 CA LEU A 85 1.381 -4.397 16.737 1.00 25.00 C ATOM 1430 C LEU A 85 0.418 -5.009 15.726 1.00 25.00 C ATOM 1431 O LEU A 85 -0.688 -5.403 16.059 1.00 25.00 O ATOM 1432 CB LEU A 85 1.455 -2.886 16.500 1.00 25.00 C ATOM 1433 CG LEU A 85 0.137 -2.122 16.678 1.00 25.00 C ATOM 1434 CD1 LEU A 85 -0.100 -1.789 18.135 1.00 25.00 C ATOM 1435 CD2 LEU A 85 0.173 -0.853 15.842 1.00 25.00 C ATOM 0 H LEU A 85 3.431 -4.335 16.286 1.00 25.00 H new ATOM 0 HA LEU A 85 1.021 -4.597 17.746 1.00 25.00 H new ATOM 0 HB2 LEU A 85 2.193 -2.465 17.183 1.00 25.00 H new ATOM 0 HB3 LEU A 85 1.821 -2.713 15.488 1.00 25.00 H new ATOM 0 HG LEU A 85 -0.686 -2.753 16.342 1.00 25.00 H new ATOM 0 HD11 LEU A 85 -1.040 -1.247 18.236 1.00 25.00 H new ATOM 0 HD12 LEU A 85 -0.148 -2.710 18.716 1.00 25.00 H new ATOM 0 HD13 LEU A 85 0.717 -1.169 18.504 1.00 25.00 H new ATOM 0 HD21 LEU A 85 -0.763 -0.308 15.967 1.00 25.00 H new ATOM 0 HD22 LEU A 85 1.004 -0.227 16.167 1.00 25.00 H new ATOM 0 HD23 LEU A 85 0.304 -1.113 14.792 1.00 25.00 H new ATOM 1447 N ILE A 86 0.836 -5.106 14.476 1.00 25.00 N ATOM 1448 CA ILE A 86 -0.044 -5.674 13.459 1.00 25.00 C ATOM 1449 C ILE A 86 -0.160 -7.184 13.710 1.00 25.00 C ATOM 1450 O ILE A 86 -1.195 -7.796 13.447 1.00 25.00 O ATOM 1451 CB ILE A 86 0.454 -5.396 12.012 1.00 25.00 C ATOM 1452 CG1 ILE A 86 0.387 -3.891 11.672 1.00 25.00 C ATOM 1453 CG2 ILE A 86 -0.430 -6.125 10.996 1.00 25.00 C ATOM 1454 CD1 ILE A 86 1.627 -3.088 12.030 1.00 25.00 C ATOM 0 H ILE A 86 1.753 -4.809 14.142 1.00 25.00 H new ATOM 0 HA ILE A 86 -1.020 -5.195 13.540 1.00 25.00 H new ATOM 0 HB ILE A 86 1.485 -5.746 11.961 1.00 25.00 H new ATOM 0 HG12 ILE A 86 0.202 -3.785 10.603 1.00 25.00 H new ATOM 0 HG13 ILE A 86 -0.469 -3.456 12.189 1.00 25.00 H new ATOM 0 HG21 ILE A 86 -0.070 -5.921 9.988 1.00 25.00 H new ATOM 0 HG22 ILE A 86 -0.393 -7.198 11.185 1.00 25.00 H new ATOM 0 HG23 ILE A 86 -1.458 -5.776 11.091 1.00 25.00 H new ATOM 0 HD11 ILE A 86 1.478 -2.045 11.751 1.00 25.00 H new ATOM 0 HD12 ILE A 86 1.806 -3.155 13.103 1.00 25.00 H new ATOM 0 HD13 ILE A 86 2.487 -3.488 11.493 1.00 25.00 H new ATOM 1466 N LYS A 87 0.879 -7.783 14.274 1.00 25.00 N ATOM 1467 CA LYS A 87 0.848 -9.206 14.585 1.00 25.00 C ATOM 1468 C LYS A 87 -0.288 -9.517 15.551 1.00 25.00 C ATOM 1469 O LYS A 87 -1.034 -10.444 15.299 1.00 25.00 O ATOM 1470 CB LYS A 87 2.214 -9.665 15.121 1.00 25.00 C ATOM 1471 CG LYS A 87 2.179 -10.636 16.294 1.00 25.00 C ATOM 1472 CD LYS A 87 3.579 -10.918 16.784 1.00 25.00 C ATOM 1473 CE LYS A 87 3.555 -11.611 18.138 1.00 25.00 C ATOM 1474 NZ LYS A 87 4.932 -11.642 18.738 1.00 25.00 N ATOM 0 H LYS A 87 1.748 -7.311 14.524 1.00 25.00 H new ATOM 0 HA LYS A 87 0.653 -9.769 13.672 1.00 25.00 H new ATOM 0 HB2 LYS A 87 2.764 -10.133 14.304 1.00 25.00 H new ATOM 0 HB3 LYS A 87 2.779 -8.783 15.422 1.00 25.00 H new ATOM 0 HG2 LYS A 87 1.581 -10.218 17.103 1.00 25.00 H new ATOM 0 HG3 LYS A 87 1.699 -11.566 15.991 1.00 25.00 H new ATOM 0 HD2 LYS A 87 4.102 -11.544 16.061 1.00 25.00 H new ATOM 0 HD3 LYS A 87 4.136 -9.984 16.859 1.00 25.00 H new ATOM 0 HE2 LYS A 87 2.872 -11.089 18.808 1.00 25.00 H new ATOM 0 HE3 LYS A 87 3.178 -12.627 18.026 1.00 25.00 H new ATOM 0 HZ1 LYS A 87 4.879 -12.010 19.709 1.00 25.00 H new ATOM 0 HZ2 LYS A 87 5.546 -12.258 18.167 1.00 25.00 H new ATOM 0 HZ3 LYS A 87 5.326 -10.680 18.753 1.00 25.00 H new ATOM 1488 N GLU A 88 -0.461 -8.750 16.620 1.00 25.00 N ATOM 1489 CA GLU A 88 -1.550 -9.052 17.556 1.00 25.00 C ATOM 1490 C GLU A 88 -2.903 -8.746 16.910 1.00 25.00 C ATOM 1491 O GLU A 88 -3.887 -9.439 17.170 1.00 25.00 O ATOM 1492 CB GLU A 88 -1.392 -8.311 18.898 1.00 25.00 C ATOM 1493 CG GLU A 88 -1.468 -6.795 18.812 1.00 25.00 C ATOM 1494 CD GLU A 88 -1.431 -6.117 20.167 1.00 25.00 C ATOM 1495 OE1 GLU A 88 -2.188 -6.520 21.076 1.00 25.00 O ATOM 1496 OE2 GLU A 88 -0.726 -5.098 20.295 1.00 25.00 O ATOM 0 H GLU A 88 0.112 -7.941 16.861 1.00 25.00 H new ATOM 0 HA GLU A 88 -1.503 -10.117 17.783 1.00 25.00 H new ATOM 0 HB2 GLU A 88 -2.167 -8.660 19.581 1.00 25.00 H new ATOM 0 HB3 GLU A 88 -0.433 -8.587 19.336 1.00 25.00 H new ATOM 0 HG2 GLU A 88 -0.638 -6.430 18.208 1.00 25.00 H new ATOM 0 HG3 GLU A 88 -2.386 -6.512 18.297 1.00 25.00 H new ATOM 1503 N LEU A 89 -2.936 -7.760 16.018 1.00 25.00 N ATOM 1504 CA LEU A 89 -4.159 -7.409 15.311 1.00 25.00 C ATOM 1505 C LEU A 89 -4.662 -8.580 14.482 1.00 25.00 C ATOM 1506 O LEU A 89 -5.842 -8.898 14.510 1.00 25.00 O ATOM 1507 CB LEU A 89 -3.924 -6.197 14.403 1.00 25.00 C ATOM 1508 CG LEU A 89 -4.519 -4.884 14.920 1.00 25.00 C ATOM 1509 CD1 LEU A 89 -3.804 -4.328 16.149 1.00 25.00 C ATOM 1510 CD2 LEU A 89 -4.500 -3.839 13.800 1.00 25.00 C ATOM 0 H LEU A 89 -2.127 -7.190 15.769 1.00 25.00 H new ATOM 0 HA LEU A 89 -4.915 -7.157 16.055 1.00 25.00 H new ATOM 0 HB2 LEU A 89 -2.851 -6.065 14.267 1.00 25.00 H new ATOM 0 HB3 LEU A 89 -4.346 -6.409 13.421 1.00 25.00 H new ATOM 0 HG LEU A 89 -5.540 -5.106 15.230 1.00 25.00 H new ATOM 0 HD11 LEU A 89 -4.281 -3.398 16.458 1.00 25.00 H new ATOM 0 HD12 LEU A 89 -3.861 -5.052 16.962 1.00 25.00 H new ATOM 0 HD13 LEU A 89 -2.759 -4.137 15.906 1.00 25.00 H new ATOM 0 HD21 LEU A 89 -4.923 -2.904 14.167 1.00 25.00 H new ATOM 0 HD22 LEU A 89 -3.473 -3.670 13.477 1.00 25.00 H new ATOM 0 HD23 LEU A 89 -5.090 -4.198 12.957 1.00 25.00 H new ATOM 1522 N ILE A 90 -3.777 -9.222 13.739 1.00 25.00 N ATOM 1523 CA ILE A 90 -4.191 -10.331 12.883 1.00 25.00 C ATOM 1524 C ILE A 90 -4.342 -11.622 13.694 1.00 25.00 C ATOM 1525 O ILE A 90 -5.277 -12.387 13.475 1.00 25.00 O ATOM 1526 CB ILE A 90 -3.194 -10.584 11.722 1.00 25.00 C ATOM 1527 CG1 ILE A 90 -2.960 -9.302 10.898 1.00 25.00 C ATOM 1528 CG2 ILE A 90 -3.755 -11.663 10.770 1.00 25.00 C ATOM 1529 CD1 ILE A 90 -1.753 -9.404 9.971 1.00 25.00 C ATOM 0 H ILE A 90 -2.781 -9.003 13.707 1.00 25.00 H new ATOM 0 HA ILE A 90 -5.152 -10.045 12.457 1.00 25.00 H new ATOM 0 HB ILE A 90 -2.253 -10.910 12.165 1.00 25.00 H new ATOM 0 HG12 ILE A 90 -3.850 -9.090 10.305 1.00 25.00 H new ATOM 0 HG13 ILE A 90 -2.820 -8.460 11.577 1.00 25.00 H new ATOM 0 HG21 ILE A 90 -3.049 -11.834 9.958 1.00 25.00 H new ATOM 0 HG22 ILE A 90 -3.907 -12.591 11.321 1.00 25.00 H new ATOM 0 HG23 ILE A 90 -4.706 -11.326 10.358 1.00 25.00 H new ATOM 0 HD11 ILE A 90 -1.639 -8.472 9.418 1.00 25.00 H new ATOM 0 HD12 ILE A 90 -0.855 -9.587 10.561 1.00 25.00 H new ATOM 0 HD13 ILE A 90 -1.901 -10.226 9.271 1.00 25.00 H new ATOM 1541 N ASP A 91 -3.437 -11.863 14.636 1.00 25.00 N ATOM 1542 CA ASP A 91 -3.456 -13.105 15.423 1.00 25.00 C ATOM 1543 C ASP A 91 -4.769 -13.228 16.187 1.00 25.00 C ATOM 1544 O ASP A 91 -5.317 -14.317 16.320 1.00 25.00 O ATOM 1545 CB ASP A 91 -2.265 -13.136 16.395 1.00 25.00 C ATOM 1546 CG ASP A 91 -2.004 -14.521 16.971 1.00 25.00 C ATOM 1547 OD1 ASP A 91 -2.739 -14.950 17.883 1.00 25.00 O ATOM 1548 OD2 ASP A 91 -0.997 -15.153 16.554 1.00 25.00 O ATOM 0 H ASP A 91 -2.681 -11.222 14.878 1.00 25.00 H new ATOM 0 HA ASP A 91 -3.372 -13.952 14.742 1.00 25.00 H new ATOM 0 HB2 ASP A 91 -1.371 -12.790 15.877 1.00 25.00 H new ATOM 0 HB3 ASP A 91 -2.451 -12.438 17.211 1.00 25.00 H new ATOM 1553 N LYS A 92 -5.307 -12.102 16.636 1.00 25.00 N ATOM 1554 CA LYS A 92 -6.586 -12.090 17.350 1.00 25.00 C ATOM 1555 C LYS A 92 -7.668 -11.354 16.567 1.00 25.00 C ATOM 1556 O LYS A 92 -8.592 -10.785 17.153 1.00 25.00 O ATOM 1557 CB LYS A 92 -6.397 -11.486 18.748 1.00 25.00 C ATOM 1558 CG LYS A 92 -5.520 -12.350 19.662 1.00 25.00 C ATOM 1559 CD LYS A 92 -6.288 -13.573 20.195 1.00 25.00 C ATOM 1560 CE LYS A 92 -5.408 -14.824 20.246 1.00 25.00 C ATOM 1561 NZ LYS A 92 -5.381 -15.541 18.926 1.00 25.00 N ATOM 0 H LYS A 92 -4.881 -11.182 16.521 1.00 25.00 H new ATOM 0 HA LYS A 92 -6.926 -13.120 17.457 1.00 25.00 H new ATOM 0 HB2 LYS A 92 -5.948 -10.497 18.653 1.00 25.00 H new ATOM 0 HB3 LYS A 92 -7.373 -11.350 19.214 1.00 25.00 H new ATOM 0 HG2 LYS A 92 -4.640 -12.684 19.113 1.00 25.00 H new ATOM 0 HG3 LYS A 92 -5.165 -11.750 20.500 1.00 25.00 H new ATOM 0 HD2 LYS A 92 -6.668 -13.356 21.193 1.00 25.00 H new ATOM 0 HD3 LYS A 92 -7.153 -13.764 19.559 1.00 25.00 H new ATOM 0 HE2 LYS A 92 -4.393 -14.543 20.528 1.00 25.00 H new ATOM 0 HE3 LYS A 92 -5.779 -15.498 21.018 1.00 25.00 H new ATOM 0 HZ1 LYS A 92 -4.673 -16.302 18.959 1.00 25.00 H new ATOM 0 HZ2 LYS A 92 -6.318 -15.949 18.733 1.00 25.00 H new ATOM 0 HZ3 LYS A 92 -5.133 -14.870 18.171 1.00 25.00 H new ATOM 1575 N LYS A 93 -7.606 -11.418 15.240 1.00 25.00 N ATOM 1576 CA LYS A 93 -8.649 -10.795 14.403 1.00 25.00 C ATOM 1577 C LYS A 93 -9.975 -11.520 14.599 1.00 25.00 C ATOM 1578 O LYS A 93 -11.040 -10.977 14.348 1.00 25.00 O ATOM 1579 CB LYS A 93 -8.254 -10.771 12.918 1.00 25.00 C ATOM 1580 CG LYS A 93 -8.269 -12.125 12.196 1.00 25.00 C ATOM 1581 CD LYS A 93 -7.730 -11.950 10.777 1.00 25.00 C ATOM 1582 CE LYS A 93 -7.677 -13.263 9.997 1.00 25.00 C ATOM 1583 NZ LYS A 93 -9.051 -13.752 9.629 1.00 25.00 N ATOM 0 H LYS A 93 -6.862 -11.884 14.720 1.00 25.00 H new ATOM 0 HA LYS A 93 -8.759 -9.758 14.721 1.00 25.00 H new ATOM 0 HB2 LYS A 93 -8.929 -10.095 12.394 1.00 25.00 H new ATOM 0 HB3 LYS A 93 -7.252 -10.349 12.836 1.00 25.00 H new ATOM 0 HG2 LYS A 93 -7.661 -12.847 12.741 1.00 25.00 H new ATOM 0 HG3 LYS A 93 -9.284 -12.522 12.165 1.00 25.00 H new ATOM 0 HD2 LYS A 93 -8.358 -11.239 10.240 1.00 25.00 H new ATOM 0 HD3 LYS A 93 -6.730 -11.520 10.824 1.00 25.00 H new ATOM 0 HE2 LYS A 93 -7.086 -13.124 9.091 1.00 25.00 H new ATOM 0 HE3 LYS A 93 -7.170 -14.020 10.595 1.00 25.00 H new ATOM 0 HZ1 LYS A 93 -9.007 -14.260 8.723 1.00 25.00 H new ATOM 0 HZ2 LYS A 93 -9.401 -14.393 10.369 1.00 25.00 H new ATOM 0 HZ3 LYS A 93 -9.696 -12.941 9.540 1.00 25.00 H new ATOM 1597 N GLU A 94 -9.876 -12.742 15.095 1.00 25.00 N ATOM 1598 CA GLU A 94 -11.019 -13.606 15.382 1.00 25.00 C ATOM 1599 C GLU A 94 -12.009 -13.019 16.400 1.00 25.00 C ATOM 1600 O GLU A 94 -13.194 -13.310 16.338 1.00 25.00 O ATOM 1601 CB GLU A 94 -10.486 -14.957 15.892 1.00 25.00 C ATOM 1602 CG GLU A 94 -9.478 -14.825 17.057 1.00 25.00 C ATOM 1603 CD GLU A 94 -8.870 -16.151 17.486 1.00 25.00 C ATOM 1604 OE1 GLU A 94 -9.101 -17.178 16.823 1.00 25.00 O ATOM 1605 OE2 GLU A 94 -8.098 -16.139 18.474 1.00 25.00 O ATOM 0 H GLU A 94 -8.979 -13.175 15.316 1.00 25.00 H new ATOM 0 HA GLU A 94 -11.582 -13.717 14.455 1.00 25.00 H new ATOM 0 HB2 GLU A 94 -11.326 -15.570 16.218 1.00 25.00 H new ATOM 0 HB3 GLU A 94 -10.008 -15.484 15.067 1.00 25.00 H new ATOM 0 HG2 GLU A 94 -8.678 -14.147 16.760 1.00 25.00 H new ATOM 0 HG3 GLU A 94 -9.980 -14.371 17.912 1.00 25.00 H new ATOM 1612 N VAL A 95 -11.530 -12.176 17.309 1.00 25.00 N ATOM 1613 CA VAL A 95 -12.390 -11.567 18.336 1.00 25.00 C ATOM 1614 C VAL A 95 -12.401 -10.047 18.205 1.00 25.00 C ATOM 1615 O VAL A 95 -12.902 -9.337 19.068 1.00 25.00 O ATOM 1616 CB VAL A 95 -11.935 -11.975 19.775 1.00 25.00 C ATOM 1617 CG1 VAL A 95 -12.164 -13.477 20.004 1.00 25.00 C ATOM 1618 CG2 VAL A 95 -10.448 -11.631 20.009 1.00 25.00 C ATOM 0 H VAL A 95 -10.551 -11.894 17.361 1.00 25.00 H new ATOM 0 HA VAL A 95 -13.401 -11.941 18.177 1.00 25.00 H new ATOM 0 HB VAL A 95 -12.535 -11.408 20.487 1.00 25.00 H new ATOM 0 HG11 VAL A 95 -11.842 -13.745 21.010 1.00 25.00 H new ATOM 0 HG12 VAL A 95 -13.224 -13.705 19.889 1.00 25.00 H new ATOM 0 HG13 VAL A 95 -11.589 -14.048 19.275 1.00 25.00 H new ATOM 0 HG21 VAL A 95 -10.161 -11.926 21.018 1.00 25.00 H new ATOM 0 HG22 VAL A 95 -9.833 -12.166 19.285 1.00 25.00 H new ATOM 0 HG23 VAL A 95 -10.300 -10.558 19.889 1.00 25.00 H new ATOM 1628 N ASN A 96 -11.850 -9.551 17.108 1.00 25.00 N ATOM 1629 CA ASN A 96 -11.776 -8.111 16.855 1.00 25.00 C ATOM 1630 C ASN A 96 -12.392 -7.787 15.493 1.00 25.00 C ATOM 1631 O ASN A 96 -11.680 -7.698 14.491 1.00 25.00 O ATOM 1632 CB ASN A 96 -10.317 -7.650 16.885 1.00 25.00 C ATOM 1633 CG ASN A 96 -9.810 -7.425 18.279 1.00 25.00 C ATOM 1634 OD1 ASN A 96 -10.097 -6.411 18.887 1.00 25.00 O ATOM 1635 ND2 ASN A 96 -9.034 -8.343 18.780 1.00 25.00 N ATOM 0 H ASN A 96 -11.443 -10.126 16.370 1.00 25.00 H new ATOM 0 HA ASN A 96 -12.333 -7.587 17.632 1.00 25.00 H new ATOM 0 HB2 ASN A 96 -9.694 -8.396 16.392 1.00 25.00 H new ATOM 0 HB3 ASN A 96 -10.220 -6.727 16.314 1.00 25.00 H new ATOM 0 HD21 ASN A 96 -8.643 -8.226 19.715 1.00 25.00 H new ATOM 0 HD22 ASN A 96 -8.817 -9.179 18.238 1.00 25.00 H new ATOM 1642 N PRO A 97 -13.721 -7.587 15.429 1.00 25.00 N ATOM 1643 CA PRO A 97 -14.297 -7.344 14.098 1.00 25.00 C ATOM 1644 C PRO A 97 -13.857 -6.030 13.450 1.00 25.00 C ATOM 1645 O PRO A 97 -13.865 -5.910 12.226 1.00 25.00 O ATOM 1646 CB PRO A 97 -15.805 -7.364 14.370 1.00 25.00 C ATOM 1647 CG PRO A 97 -15.931 -6.931 15.786 1.00 25.00 C ATOM 1648 CD PRO A 97 -14.762 -7.589 16.475 1.00 25.00 C ATOM 0 HA PRO A 97 -13.963 -8.089 13.376 1.00 25.00 H new ATOM 0 HB2 PRO A 97 -16.339 -6.690 13.700 1.00 25.00 H new ATOM 0 HB3 PRO A 97 -16.223 -8.360 14.220 1.00 25.00 H new ATOM 0 HG2 PRO A 97 -15.888 -5.846 15.877 1.00 25.00 H new ATOM 0 HG3 PRO A 97 -16.880 -7.250 16.218 1.00 25.00 H new ATOM 0 HD2 PRO A 97 -14.448 -7.033 17.359 1.00 25.00 H new ATOM 0 HD3 PRO A 97 -15.003 -8.600 16.803 1.00 25.00 H new ATOM 1656 N GLN A 98 -13.404 -5.073 14.254 1.00 25.00 N ATOM 1657 CA GLN A 98 -12.899 -3.805 13.740 1.00 25.00 C ATOM 1658 C GLN A 98 -11.729 -4.071 12.832 1.00 25.00 C ATOM 1659 O GLN A 98 -11.610 -3.490 11.752 1.00 25.00 O ATOM 1660 CB GLN A 98 -12.390 -2.922 14.885 1.00 25.00 C ATOM 1661 CG GLN A 98 -13.422 -1.995 15.478 1.00 25.00 C ATOM 1662 CD GLN A 98 -14.563 -2.724 16.156 1.00 25.00 C ATOM 1663 OE1 GLN A 98 -14.383 -3.795 16.722 1.00 25.00 O ATOM 1664 NE2 GLN A 98 -15.737 -2.159 16.088 1.00 25.00 N ATOM 0 H GLN A 98 -13.377 -5.153 15.270 1.00 25.00 H new ATOM 0 HA GLN A 98 -13.711 -3.305 13.212 1.00 25.00 H new ATOM 0 HB2 GLN A 98 -12.003 -3.565 15.676 1.00 25.00 H new ATOM 0 HB3 GLN A 98 -11.554 -2.326 14.521 1.00 25.00 H new ATOM 0 HG2 GLN A 98 -12.938 -1.339 16.202 1.00 25.00 H new ATOM 0 HG3 GLN A 98 -13.824 -1.358 14.690 1.00 25.00 H new ATOM 0 HE21 GLN A 98 -15.846 -1.266 15.607 1.00 25.00 H new ATOM 0 HE22 GLN A 98 -16.546 -2.610 16.516 1.00 25.00 H new ATOM 1673 N VAL A 99 -10.834 -4.926 13.297 1.00 25.00 N ATOM 1674 CA VAL A 99 -9.609 -5.163 12.572 1.00 25.00 C ATOM 1675 C VAL A 99 -9.825 -6.214 11.500 1.00 25.00 C ATOM 1676 O VAL A 99 -9.262 -6.107 10.446 1.00 25.00 O ATOM 1677 CB VAL A 99 -8.413 -5.508 13.515 1.00 25.00 C ATOM 1678 CG1 VAL A 99 -8.488 -4.643 14.797 1.00 25.00 C ATOM 1679 CG2 VAL A 99 -8.376 -6.985 13.874 1.00 25.00 C ATOM 0 H VAL A 99 -10.935 -5.458 14.161 1.00 25.00 H new ATOM 0 HA VAL A 99 -9.329 -4.233 12.077 1.00 25.00 H new ATOM 0 HB VAL A 99 -7.491 -5.284 12.978 1.00 25.00 H new ATOM 0 HG11 VAL A 99 -7.651 -4.888 15.451 1.00 25.00 H new ATOM 0 HG12 VAL A 99 -8.441 -3.588 14.527 1.00 25.00 H new ATOM 0 HG13 VAL A 99 -9.425 -4.843 15.317 1.00 25.00 H new ATOM 0 HG21 VAL A 99 -7.528 -7.179 14.531 1.00 25.00 H new ATOM 0 HG22 VAL A 99 -9.300 -7.259 14.384 1.00 25.00 H new ATOM 0 HG23 VAL A 99 -8.273 -7.578 12.965 1.00 25.00 H new ATOM 1689 N MET A 100 -10.701 -7.181 11.733 1.00 25.00 N ATOM 1690 CA MET A 100 -10.999 -8.208 10.733 1.00 25.00 C ATOM 1691 C MET A 100 -11.568 -7.571 9.465 1.00 25.00 C ATOM 1692 O MET A 100 -11.206 -7.940 8.354 1.00 25.00 O ATOM 1693 CB MET A 100 -12.009 -9.198 11.308 1.00 25.00 C ATOM 1694 CG MET A 100 -11.702 -10.673 11.041 1.00 25.00 C ATOM 1695 SD MET A 100 -11.322 -11.094 9.320 1.00 25.00 S ATOM 1696 CE MET A 100 -12.938 -10.909 8.517 1.00 25.00 C ATOM 0 H MET A 100 -11.221 -7.280 12.605 1.00 25.00 H new ATOM 0 HA MET A 100 -10.077 -8.730 10.477 1.00 25.00 H new ATOM 0 HB2 MET A 100 -12.070 -9.046 12.386 1.00 25.00 H new ATOM 0 HB3 MET A 100 -12.992 -8.968 10.898 1.00 25.00 H new ATOM 0 HG2 MET A 100 -10.857 -10.968 11.664 1.00 25.00 H new ATOM 0 HG3 MET A 100 -12.558 -11.268 11.361 1.00 25.00 H new ATOM 0 HE1 MET A 100 -12.845 -11.139 7.455 1.00 25.00 H new ATOM 0 HE2 MET A 100 -13.652 -11.593 8.975 1.00 25.00 H new ATOM 0 HE3 MET A 100 -13.289 -9.884 8.637 1.00 25.00 H new ATOM 1706 N ALA A 101 -12.419 -6.569 9.629 1.00 25.00 N ATOM 1707 CA ALA A 101 -12.965 -5.854 8.481 1.00 25.00 C ATOM 1708 C ALA A 101 -11.853 -5.089 7.749 1.00 25.00 C ATOM 1709 O ALA A 101 -11.911 -4.905 6.540 1.00 25.00 O ATOM 1710 CB ALA A 101 -14.059 -4.898 8.943 1.00 25.00 C ATOM 0 H ALA A 101 -12.745 -6.234 10.536 1.00 25.00 H new ATOM 0 HA ALA A 101 -13.397 -6.574 7.786 1.00 25.00 H new ATOM 0 HB1 ALA A 101 -14.464 -4.366 8.082 1.00 25.00 H new ATOM 0 HB2 ALA A 101 -14.855 -5.463 9.428 1.00 25.00 H new ATOM 0 HB3 ALA A 101 -13.641 -4.181 9.649 1.00 25.00 H new ATOM 1716 N ALA A 102 -10.833 -4.665 8.483 1.00 25.00 N ATOM 1717 CA ALA A 102 -9.714 -3.940 7.899 1.00 25.00 C ATOM 1718 C ALA A 102 -8.801 -4.938 7.179 1.00 25.00 C ATOM 1719 O ALA A 102 -8.226 -4.619 6.150 1.00 25.00 O ATOM 1720 CB ALA A 102 -8.945 -3.182 9.001 1.00 25.00 C ATOM 0 H ALA A 102 -10.758 -4.812 9.490 1.00 25.00 H new ATOM 0 HA ALA A 102 -10.077 -3.206 7.179 1.00 25.00 H new ATOM 0 HB1 ALA A 102 -8.109 -2.642 8.556 1.00 25.00 H new ATOM 0 HB2 ALA A 102 -9.614 -2.475 9.491 1.00 25.00 H new ATOM 0 HB3 ALA A 102 -8.567 -3.893 9.736 1.00 25.00 H new ATOM 1726 N VAL A 103 -8.700 -6.152 7.708 1.00 25.00 N ATOM 1727 CA VAL A 103 -7.897 -7.211 7.088 1.00 25.00 C ATOM 1728 C VAL A 103 -8.499 -7.534 5.730 1.00 25.00 C ATOM 1729 O VAL A 103 -7.798 -7.553 4.720 1.00 25.00 O ATOM 1730 CB VAL A 103 -7.881 -8.503 7.979 1.00 25.00 C ATOM 1731 CG1 VAL A 103 -7.237 -9.675 7.251 1.00 25.00 C ATOM 1732 CG2 VAL A 103 -7.135 -8.238 9.300 1.00 25.00 C ATOM 0 H VAL A 103 -9.166 -6.433 8.571 1.00 25.00 H new ATOM 0 HA VAL A 103 -6.869 -6.866 6.981 1.00 25.00 H new ATOM 0 HB VAL A 103 -8.917 -8.763 8.196 1.00 25.00 H new ATOM 0 HG11 VAL A 103 -7.243 -10.553 7.897 1.00 25.00 H new ATOM 0 HG12 VAL A 103 -7.797 -9.891 6.341 1.00 25.00 H new ATOM 0 HG13 VAL A 103 -6.209 -9.422 6.992 1.00 25.00 H new ATOM 0 HG21 VAL A 103 -7.134 -9.144 9.905 1.00 25.00 H new ATOM 0 HG22 VAL A 103 -6.108 -7.944 9.085 1.00 25.00 H new ATOM 0 HG23 VAL A 103 -7.635 -7.438 9.846 1.00 25.00 H new ATOM 1742 N ALA A 104 -9.809 -7.738 5.710 1.00 25.00 N ATOM 1743 CA ALA A 104 -10.511 -8.054 4.476 1.00 25.00 C ATOM 1744 C ALA A 104 -10.395 -6.894 3.484 1.00 25.00 C ATOM 1745 O ALA A 104 -10.125 -7.098 2.309 1.00 25.00 O ATOM 1746 CB ALA A 104 -11.979 -8.362 4.783 1.00 25.00 C ATOM 0 H ALA A 104 -10.406 -7.690 6.535 1.00 25.00 H new ATOM 0 HA ALA A 104 -10.056 -8.933 4.020 1.00 25.00 H new ATOM 0 HB1 ALA A 104 -12.503 -8.598 3.857 1.00 25.00 H new ATOM 0 HB2 ALA A 104 -12.038 -9.214 5.461 1.00 25.00 H new ATOM 0 HB3 ALA A 104 -12.443 -7.493 5.250 1.00 25.00 H new ATOM 1752 N GLN A 105 -10.566 -5.671 3.967 1.00 25.00 N ATOM 1753 CA GLN A 105 -10.444 -4.511 3.093 1.00 25.00 C ATOM 1754 C GLN A 105 -9.039 -4.386 2.524 1.00 25.00 C ATOM 1755 O GLN A 105 -8.880 -4.033 1.365 1.00 25.00 O ATOM 1756 CB GLN A 105 -10.796 -3.222 3.835 1.00 25.00 C ATOM 1757 CG GLN A 105 -12.283 -2.903 3.806 1.00 25.00 C ATOM 1758 CD GLN A 105 -12.553 -1.447 4.091 1.00 25.00 C ATOM 1759 OE1 GLN A 105 -12.215 -0.582 3.299 1.00 25.00 O ATOM 1760 NE2 GLN A 105 -13.147 -1.167 5.219 1.00 25.00 N ATOM 0 H GLN A 105 -10.785 -5.457 4.940 1.00 25.00 H new ATOM 0 HA GLN A 105 -11.147 -4.660 2.273 1.00 25.00 H new ATOM 0 HB2 GLN A 105 -10.469 -3.306 4.871 1.00 25.00 H new ATOM 0 HB3 GLN A 105 -10.244 -2.393 3.392 1.00 25.00 H new ATOM 0 HG2 GLN A 105 -12.691 -3.163 2.829 1.00 25.00 H new ATOM 0 HG3 GLN A 105 -12.800 -3.519 4.542 1.00 25.00 H new ATOM 0 HE21 GLN A 105 -13.414 -1.918 5.855 1.00 25.00 H new ATOM 0 HE22 GLN A 105 -13.344 -0.197 5.465 1.00 25.00 H new ATOM 1769 N THR A 106 -8.015 -4.673 3.316 1.00 25.00 N ATOM 1770 CA THR A 106 -6.651 -4.541 2.824 1.00 25.00 C ATOM 1771 C THR A 106 -6.411 -5.564 1.726 1.00 25.00 C ATOM 1772 O THR A 106 -5.803 -5.240 0.720 1.00 25.00 O ATOM 1773 CB THR A 106 -5.601 -4.731 3.934 1.00 25.00 C ATOM 1774 OG1 THR A 106 -5.884 -3.855 5.019 1.00 25.00 O ATOM 1775 CG2 THR A 106 -4.209 -4.396 3.431 1.00 25.00 C ATOM 0 H THR A 106 -8.098 -4.992 4.281 1.00 25.00 H new ATOM 0 HA THR A 106 -6.540 -3.527 2.440 1.00 25.00 H new ATOM 0 HB THR A 106 -5.641 -5.774 4.249 1.00 25.00 H new ATOM 0 HG1 THR A 106 -6.658 -4.191 5.517 1.00 25.00 H new ATOM 0 HG21 THR A 106 -3.487 -4.539 4.235 1.00 25.00 H new ATOM 0 HG22 THR A 106 -3.956 -5.050 2.596 1.00 25.00 H new ATOM 0 HG23 THR A 106 -4.182 -3.358 3.099 1.00 25.00 H new ATOM 1783 N GLU A 107 -6.922 -6.779 1.886 1.00 25.00 N ATOM 1784 CA GLU A 107 -6.755 -7.787 0.841 1.00 25.00 C ATOM 1785 C GLU A 107 -7.347 -7.303 -0.474 1.00 25.00 C ATOM 1786 O GLU A 107 -6.700 -7.390 -1.506 1.00 25.00 O ATOM 1787 CB GLU A 107 -7.425 -9.112 1.208 1.00 25.00 C ATOM 1788 CG GLU A 107 -6.633 -9.968 2.175 1.00 25.00 C ATOM 1789 CD GLU A 107 -7.119 -11.417 2.220 1.00 25.00 C ATOM 1790 OE1 GLU A 107 -7.957 -11.818 1.380 1.00 25.00 O ATOM 1791 OE2 GLU A 107 -6.612 -12.175 3.083 1.00 25.00 O ATOM 0 H GLU A 107 -7.443 -7.087 2.707 1.00 25.00 H new ATOM 0 HA GLU A 107 -5.682 -7.948 0.738 1.00 25.00 H new ATOM 0 HB2 GLU A 107 -8.402 -8.903 1.644 1.00 25.00 H new ATOM 0 HB3 GLU A 107 -7.599 -9.682 0.295 1.00 25.00 H new ATOM 0 HG2 GLU A 107 -5.581 -9.951 1.890 1.00 25.00 H new ATOM 0 HG3 GLU A 107 -6.700 -9.536 3.174 1.00 25.00 H new ATOM 1798 N GLU A 108 -8.564 -6.783 -0.448 1.00 25.00 N ATOM 1799 CA GLU A 108 -9.213 -6.342 -1.684 1.00 25.00 C ATOM 1800 C GLU A 108 -8.514 -5.138 -2.311 1.00 25.00 C ATOM 1801 O GLU A 108 -8.404 -5.042 -3.528 1.00 25.00 O ATOM 1802 CB GLU A 108 -10.689 -6.026 -1.438 1.00 25.00 C ATOM 1803 CG GLU A 108 -11.489 -7.234 -0.948 1.00 25.00 C ATOM 1804 CD GLU A 108 -11.260 -8.473 -1.810 1.00 25.00 C ATOM 1805 OE1 GLU A 108 -11.445 -8.400 -3.041 1.00 25.00 O ATOM 1806 OE2 GLU A 108 -10.838 -9.512 -1.255 1.00 25.00 O ATOM 0 H GLU A 108 -9.119 -6.655 0.398 1.00 25.00 H new ATOM 0 HA GLU A 108 -9.137 -7.168 -2.391 1.00 25.00 H new ATOM 0 HB2 GLU A 108 -10.765 -5.225 -0.702 1.00 25.00 H new ATOM 0 HB3 GLU A 108 -11.133 -5.654 -2.361 1.00 25.00 H new ATOM 0 HG2 GLU A 108 -11.212 -7.456 0.083 1.00 25.00 H new ATOM 0 HG3 GLU A 108 -12.551 -6.987 -0.947 1.00 25.00 H new ATOM 1813 N ILE A 109 -7.992 -4.239 -1.490 1.00 25.00 N ATOM 1814 CA ILE A 109 -7.248 -3.091 -2.011 1.00 25.00 C ATOM 1815 C ILE A 109 -5.957 -3.590 -2.663 1.00 25.00 C ATOM 1816 O ILE A 109 -5.578 -3.123 -3.729 1.00 25.00 O ATOM 1817 CB ILE A 109 -6.937 -2.052 -0.890 1.00 25.00 C ATOM 1818 CG1 ILE A 109 -8.255 -1.423 -0.393 1.00 25.00 C ATOM 1819 CG2 ILE A 109 -5.989 -0.936 -1.418 1.00 25.00 C ATOM 1820 CD1 ILE A 109 -8.149 -0.704 0.960 1.00 25.00 C ATOM 0 H ILE A 109 -8.065 -4.276 -0.473 1.00 25.00 H new ATOM 0 HA ILE A 109 -7.861 -2.582 -2.754 1.00 25.00 H new ATOM 0 HB ILE A 109 -6.439 -2.565 -0.067 1.00 25.00 H new ATOM 0 HG12 ILE A 109 -8.608 -0.713 -1.141 1.00 25.00 H new ATOM 0 HG13 ILE A 109 -9.010 -2.206 -0.316 1.00 25.00 H new ATOM 0 HG21 ILE A 109 -5.786 -0.223 -0.619 1.00 25.00 H new ATOM 0 HG22 ILE A 109 -5.053 -1.382 -1.753 1.00 25.00 H new ATOM 0 HG23 ILE A 109 -6.464 -0.420 -2.253 1.00 25.00 H new ATOM 0 HD11 ILE A 109 -9.122 -0.293 1.231 1.00 25.00 H new ATOM 0 HD12 ILE A 109 -7.829 -1.412 1.724 1.00 25.00 H new ATOM 0 HD13 ILE A 109 -7.421 0.104 0.887 1.00 25.00 H new ATOM 1832 N LEU A 110 -5.305 -4.569 -2.056 1.00 25.00 N ATOM 1833 CA LEU A 110 -4.073 -5.130 -2.617 1.00 25.00 C ATOM 1834 C LEU A 110 -4.359 -5.856 -3.928 1.00 25.00 C ATOM 1835 O LEU A 110 -3.577 -5.766 -4.863 1.00 25.00 O ATOM 1836 CB LEU A 110 -3.419 -6.097 -1.623 1.00 25.00 C ATOM 1837 CG LEU A 110 -2.361 -5.507 -0.669 1.00 25.00 C ATOM 1838 CD1 LEU A 110 -2.733 -4.128 -0.083 1.00 25.00 C ATOM 1839 CD2 LEU A 110 -2.130 -6.508 0.463 1.00 25.00 C ATOM 0 H LEU A 110 -5.602 -4.994 -1.178 1.00 25.00 H new ATOM 0 HA LEU A 110 -3.388 -4.305 -2.813 1.00 25.00 H new ATOM 0 HB2 LEU A 110 -4.207 -6.547 -1.019 1.00 25.00 H new ATOM 0 HB3 LEU A 110 -2.953 -6.903 -2.190 1.00 25.00 H new ATOM 0 HG LEU A 110 -1.456 -5.339 -1.253 1.00 25.00 H new ATOM 0 HD11 LEU A 110 -1.936 -3.786 0.577 1.00 25.00 H new ATOM 0 HD12 LEU A 110 -2.866 -3.412 -0.894 1.00 25.00 H new ATOM 0 HD13 LEU A 110 -3.661 -4.211 0.483 1.00 25.00 H new ATOM 0 HD21 LEU A 110 -1.384 -6.112 1.152 1.00 25.00 H new ATOM 0 HD22 LEU A 110 -3.065 -6.675 0.997 1.00 25.00 H new ATOM 0 HD23 LEU A 110 -1.776 -7.452 0.048 1.00 25.00 H new ATOM 1851 N LYS A 111 -5.495 -6.537 -4.001 1.00 25.00 N ATOM 1852 CA LYS A 111 -5.908 -7.242 -5.224 1.00 25.00 C ATOM 1853 C LYS A 111 -6.249 -6.256 -6.343 1.00 25.00 C ATOM 1854 O LYS A 111 -6.143 -6.581 -7.518 1.00 25.00 O ATOM 1855 CB LYS A 111 -7.100 -8.136 -4.926 1.00 25.00 C ATOM 1856 CG LYS A 111 -6.709 -9.334 -4.070 1.00 25.00 C ATOM 1857 CD LYS A 111 -7.920 -9.911 -3.418 1.00 25.00 C ATOM 1858 CE LYS A 111 -7.533 -10.877 -2.297 1.00 25.00 C ATOM 1859 NZ LYS A 111 -8.715 -11.324 -1.477 1.00 25.00 N ATOM 0 H LYS A 111 -6.155 -6.621 -3.228 1.00 25.00 H new ATOM 0 HA LYS A 111 -5.074 -7.856 -5.564 1.00 25.00 H new ATOM 0 HB2 LYS A 111 -7.868 -7.558 -4.413 1.00 25.00 H new ATOM 0 HB3 LYS A 111 -7.536 -8.485 -5.862 1.00 25.00 H new ATOM 0 HG2 LYS A 111 -6.223 -10.090 -4.687 1.00 25.00 H new ATOM 0 HG3 LYS A 111 -5.987 -9.030 -3.312 1.00 25.00 H new ATOM 0 HD2 LYS A 111 -8.537 -9.108 -3.014 1.00 25.00 H new ATOM 0 HD3 LYS A 111 -8.523 -10.433 -4.161 1.00 25.00 H new ATOM 0 HE2 LYS A 111 -7.045 -11.751 -2.729 1.00 25.00 H new ATOM 0 HE3 LYS A 111 -6.805 -10.396 -1.644 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 -8.425 -11.442 -0.485 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 -9.468 -10.609 -1.535 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 -9.069 -12.230 -1.844 1.00 25.00 H new ATOM 1873 N SER A 112 -6.656 -5.052 -5.962 1.00 25.00 N ATOM 1874 CA SER A 112 -6.980 -3.990 -6.917 1.00 25.00 C ATOM 1875 C SER A 112 -5.738 -3.235 -7.384 1.00 25.00 C ATOM 1876 O SER A 112 -5.762 -2.543 -8.403 1.00 25.00 O ATOM 1877 CB SER A 112 -7.928 -2.990 -6.262 1.00 25.00 C ATOM 1878 OG SER A 112 -8.407 -2.046 -7.206 1.00 25.00 O ATOM 0 H SER A 112 -6.772 -4.780 -4.986 1.00 25.00 H new ATOM 0 HA SER A 112 -7.442 -4.464 -7.783 1.00 25.00 H new ATOM 0 HB2 SER A 112 -8.769 -3.520 -5.815 1.00 25.00 H new ATOM 0 HB3 SER A 112 -7.412 -2.471 -5.454 1.00 25.00 H new ATOM 0 HG SER A 112 -9.014 -1.418 -6.761 1.00 25.00 H new ATOM 1884 N ASN A 113 -4.677 -3.323 -6.601 1.00 25.00 N ATOM 1885 CA ASN A 113 -3.426 -2.626 -6.903 1.00 25.00 C ATOM 1886 C ASN A 113 -2.626 -3.430 -7.929 1.00 25.00 C ATOM 1887 O ASN A 113 -2.953 -4.570 -8.232 1.00 25.00 O ATOM 1888 CB ASN A 113 -2.587 -2.443 -5.627 1.00 25.00 C ATOM 1889 CG ASN A 113 -3.159 -1.402 -4.691 1.00 25.00 C ATOM 1890 OD1 ASN A 113 -3.879 -0.505 -5.096 1.00 25.00 O ATOM 1891 ND2 ASN A 113 -2.800 -1.492 -3.438 1.00 25.00 N ATOM 0 H ASN A 113 -4.651 -3.874 -5.743 1.00 25.00 H new ATOM 0 HA ASN A 113 -3.664 -1.643 -7.309 1.00 25.00 H new ATOM 0 HB2 ASN A 113 -2.518 -3.397 -5.103 1.00 25.00 H new ATOM 0 HB3 ASN A 113 -1.572 -2.157 -5.903 1.00 25.00 H new ATOM 0 HD21 ASN A 113 -3.123 -0.798 -2.764 1.00 25.00 H new ATOM 0 HD22 ASN A 113 -2.196 -2.256 -3.134 1.00 25.00 H new ATOM 1898 N SER A 114 -1.545 -2.847 -8.429 1.00 25.00 N ATOM 1899 CA SER A 114 -0.665 -3.535 -9.370 1.00 25.00 C ATOM 1900 C SER A 114 0.780 -3.263 -8.993 1.00 25.00 C ATOM 1901 O SER A 114 1.103 -2.195 -8.484 1.00 25.00 O ATOM 1902 CB SER A 114 -0.929 -3.057 -10.799 1.00 25.00 C ATOM 1903 OG SER A 114 -0.045 -3.685 -11.717 1.00 25.00 O ATOM 0 H SER A 114 -1.254 -1.897 -8.199 1.00 25.00 H new ATOM 0 HA SER A 114 -0.862 -4.606 -9.324 1.00 25.00 H new ATOM 0 HB2 SER A 114 -1.961 -3.275 -11.075 1.00 25.00 H new ATOM 0 HB3 SER A 114 -0.807 -1.975 -10.853 1.00 25.00 H new ATOM 0 HG SER A 114 -0.234 -3.365 -12.624 1.00 25.00 H new ATOM 1909 N GLN A 115 1.637 -4.244 -9.238 1.00 25.00 N ATOM 1910 CA GLN A 115 3.066 -4.141 -8.932 1.00 25.00 C ATOM 1911 C GLN A 115 3.882 -3.804 -10.184 1.00 25.00 C ATOM 1912 O GLN A 115 5.110 -3.813 -10.135 1.00 25.00 O ATOM 1913 CB GLN A 115 3.564 -5.473 -8.352 1.00 25.00 C ATOM 1914 CG GLN A 115 3.416 -6.667 -9.307 1.00 25.00 C ATOM 1915 CD GLN A 115 4.649 -7.544 -9.325 1.00 25.00 C ATOM 1916 OE1 GLN A 115 4.758 -8.504 -8.569 1.00 25.00 O ATOM 1917 NE2 GLN A 115 5.572 -7.235 -10.195 1.00 25.00 N ATOM 0 H GLN A 115 1.367 -5.135 -9.654 1.00 25.00 H new ATOM 0 HA GLN A 115 3.199 -3.338 -8.207 1.00 25.00 H new ATOM 0 HB2 GLN A 115 4.614 -5.368 -8.079 1.00 25.00 H new ATOM 0 HB3 GLN A 115 3.015 -5.685 -7.434 1.00 25.00 H new ATOM 0 HG2 GLN A 115 2.553 -7.263 -9.009 1.00 25.00 H new ATOM 0 HG3 GLN A 115 3.218 -6.301 -10.315 1.00 25.00 H new ATOM 0 HE21 GLN A 115 5.446 -6.429 -10.807 1.00 25.00 H new ATOM 0 HE22 GLN A 115 6.419 -7.800 -10.262 1.00 25.00 H new ATOM 1926 N THR A 116 3.169 -3.570 -11.289 1.00 25.00 N ATOM 1927 CA THR A 116 3.738 -3.344 -12.622 1.00 25.00 C ATOM 1928 C THR A 116 4.443 -4.598 -13.179 1.00 25.00 C ATOM 1929 O THR A 116 5.018 -5.400 -12.440 1.00 25.00 O ATOM 1930 CB THR A 116 4.674 -2.116 -12.614 1.00 25.00 C ATOM 1931 OG1 THR A 116 4.014 -1.028 -11.959 1.00 25.00 O ATOM 1932 CG2 THR A 116 5.026 -1.663 -14.013 1.00 25.00 C ATOM 0 H THR A 116 2.150 -3.531 -11.281 1.00 25.00 H new ATOM 0 HA THR A 116 2.910 -3.134 -13.299 1.00 25.00 H new ATOM 0 HB THR A 116 5.588 -2.406 -12.096 1.00 25.00 H new ATOM 0 HG1 THR A 116 4.604 -0.246 -11.949 1.00 25.00 H new ATOM 0 HG21 THR A 116 5.686 -0.797 -13.960 1.00 25.00 H new ATOM 0 HG22 THR A 116 5.531 -2.472 -14.541 1.00 25.00 H new ATOM 0 HG23 THR A 116 4.115 -1.393 -14.548 1.00 25.00 H new ATOM 1940 N ASP A 117 4.331 -4.806 -14.481 1.00 25.00 N ATOM 1941 CA ASP A 117 4.935 -5.959 -15.132 1.00 25.00 C ATOM 1942 C ASP A 117 6.338 -5.616 -15.628 1.00 25.00 C ATOM 1943 O ASP A 117 6.587 -4.538 -16.159 1.00 25.00 O ATOM 1944 CB ASP A 117 4.061 -6.440 -16.299 1.00 25.00 C ATOM 1945 CG ASP A 117 3.846 -5.369 -17.365 1.00 25.00 C ATOM 1946 OD1 ASP A 117 3.289 -4.289 -17.036 1.00 25.00 O ATOM 1947 OD2 ASP A 117 4.147 -5.643 -18.545 1.00 25.00 O ATOM 0 H ASP A 117 3.823 -4.186 -15.113 1.00 25.00 H new ATOM 0 HA ASP A 117 5.010 -6.765 -14.402 1.00 25.00 H new ATOM 0 HB2 ASP A 117 4.525 -7.313 -16.758 1.00 25.00 H new ATOM 0 HB3 ASP A 117 3.093 -6.760 -15.913 1.00 25.00 H new ATOM 1952 N LEU A 118 7.261 -6.537 -15.391 1.00 25.00 N ATOM 1953 CA LEU A 118 8.662 -6.397 -15.768 1.00 25.00 C ATOM 1954 C LEU A 118 9.247 -7.797 -15.637 1.00 25.00 C ATOM 1955 O LEU A 118 8.598 -8.682 -15.070 1.00 25.00 O ATOM 1956 CB LEU A 118 9.393 -5.393 -14.851 1.00 25.00 C ATOM 1957 CG LEU A 118 9.031 -5.299 -13.351 1.00 25.00 C ATOM 1958 CD1 LEU A 118 9.430 -6.539 -12.550 1.00 25.00 C ATOM 1959 CD2 LEU A 118 9.731 -4.075 -12.759 1.00 25.00 C ATOM 0 H LEU A 118 7.054 -7.419 -14.923 1.00 25.00 H new ATOM 0 HA LEU A 118 8.773 -6.004 -16.779 1.00 25.00 H new ATOM 0 HB2 LEU A 118 10.458 -5.617 -14.912 1.00 25.00 H new ATOM 0 HB3 LEU A 118 9.250 -4.401 -15.280 1.00 25.00 H new ATOM 0 HG LEU A 118 7.946 -5.218 -13.283 1.00 25.00 H new ATOM 0 HD11 LEU A 118 9.146 -6.405 -11.506 1.00 25.00 H new ATOM 0 HD12 LEU A 118 8.920 -7.413 -12.955 1.00 25.00 H new ATOM 0 HD13 LEU A 118 10.508 -6.684 -12.617 1.00 25.00 H new ATOM 0 HD21 LEU A 118 9.487 -3.993 -11.700 1.00 25.00 H new ATOM 0 HD22 LEU A 118 10.810 -4.181 -12.875 1.00 25.00 H new ATOM 0 HD23 LEU A 118 9.396 -3.177 -13.279 1.00 25.00 H new ATOM 1971 N GLU A 119 10.450 -8.021 -16.146 1.00 25.00 N ATOM 1972 CA GLU A 119 11.070 -9.338 -16.019 1.00 25.00 C ATOM 1973 C GLU A 119 11.406 -9.581 -14.547 1.00 25.00 C ATOM 1974 O GLU A 119 12.051 -8.757 -13.896 1.00 25.00 O ATOM 1975 CB GLU A 119 12.337 -9.457 -16.877 1.00 25.00 C ATOM 1976 CG GLU A 119 12.574 -10.877 -17.414 1.00 25.00 C ATOM 1977 CD GLU A 119 12.533 -11.934 -16.315 1.00 25.00 C ATOM 1978 OE1 GLU A 119 13.445 -11.971 -15.465 1.00 25.00 O ATOM 1979 OE2 GLU A 119 11.519 -12.661 -16.223 1.00 25.00 O ATOM 0 H GLU A 119 11.009 -7.326 -16.641 1.00 25.00 H new ATOM 0 HA GLU A 119 10.367 -10.090 -16.377 1.00 25.00 H new ATOM 0 HB2 GLU A 119 12.266 -8.765 -17.716 1.00 25.00 H new ATOM 0 HB3 GLU A 119 13.199 -9.151 -16.284 1.00 25.00 H new ATOM 0 HG2 GLU A 119 11.818 -11.109 -18.164 1.00 25.00 H new ATOM 0 HG3 GLU A 119 13.542 -10.916 -17.914 1.00 25.00 H new ATOM 1986 N HIS A 120 10.932 -10.697 -14.013 1.00 25.00 N ATOM 1987 CA HIS A 120 11.151 -11.032 -12.608 1.00 25.00 C ATOM 1988 C HIS A 120 11.149 -12.550 -12.412 1.00 25.00 C ATOM 1989 O HIS A 120 10.612 -13.044 -11.415 1.00 25.00 O ATOM 1990 CB HIS A 120 10.058 -10.363 -11.759 1.00 25.00 C ATOM 1991 CG HIS A 120 10.496 -10.040 -10.363 1.00 25.00 C ATOM 1992 ND1 HIS A 120 10.675 -11.002 -9.368 1.00 25.00 N ATOM 1993 CD2 HIS A 120 10.807 -8.860 -9.763 1.00 25.00 C ATOM 1994 CE1 HIS A 120 11.059 -10.396 -8.249 1.00 25.00 C ATOM 1995 NE2 HIS A 120 11.143 -9.110 -8.467 1.00 25.00 N ATOM 0 H HIS A 120 10.391 -11.390 -14.531 1.00 25.00 H new ATOM 0 HA HIS A 120 12.126 -10.662 -12.290 1.00 25.00 H new ATOM 0 HB2 HIS A 120 9.738 -9.445 -12.252 1.00 25.00 H new ATOM 0 HB3 HIS A 120 9.190 -11.021 -11.715 1.00 25.00 H new ATOM 0 HD1 HIS A 120 10.534 -12.006 -9.481 1.00 25.00 H new ATOM 0 HD2 HIS A 120 10.790 -7.889 -10.235 1.00 25.00 H new ATOM 0 HE1 HIS A 120 11.268 -10.887 -7.310 1.00 25.00 H new ATOM 2003 N HIS A 121 11.697 -13.261 -13.399 1.00 25.00 N ATOM 2004 CA HIS A 121 11.717 -14.742 -13.491 1.00 25.00 C ATOM 2005 C HIS A 121 11.174 -15.520 -12.285 1.00 25.00 C ATOM 2006 O HIS A 121 11.873 -15.766 -11.296 1.00 25.00 O ATOM 2007 CB HIS A 121 13.132 -15.228 -13.845 1.00 25.00 C ATOM 2008 CG HIS A 121 14.227 -14.497 -13.129 1.00 25.00 C ATOM 2009 ND1 HIS A 121 14.565 -14.724 -11.793 1.00 25.00 N ATOM 2010 CD2 HIS A 121 15.089 -13.532 -13.543 1.00 25.00 C ATOM 2011 CE1 HIS A 121 15.581 -13.931 -11.468 1.00 25.00 C ATOM 2012 NE2 HIS A 121 15.907 -13.207 -12.507 1.00 25.00 N ATOM 0 H HIS A 121 12.159 -12.815 -14.191 1.00 25.00 H new ATOM 0 HA HIS A 121 11.006 -14.967 -14.286 1.00 25.00 H new ATOM 0 HB2 HIS A 121 13.208 -16.291 -13.614 1.00 25.00 H new ATOM 0 HB3 HIS A 121 13.282 -15.124 -14.920 1.00 25.00 H new ATOM 0 HD1 HIS A 121 14.107 -15.389 -11.169 1.00 25.00 H new ATOM 0 HD2 HIS A 121 15.119 -13.096 -14.531 1.00 25.00 H new ATOM 0 HE1 HIS A 121 16.060 -13.891 -10.501 1.00 25.00 H new ATOM 2020 N HIS A 122 9.900 -15.878 -12.384 1.00 25.00 N ATOM 2021 CA HIS A 122 9.153 -16.517 -11.299 1.00 25.00 C ATOM 2022 C HIS A 122 8.589 -17.834 -11.829 1.00 25.00 C ATOM 2023 O HIS A 122 8.080 -17.876 -12.940 1.00 25.00 O ATOM 2024 CB HIS A 122 8.026 -15.551 -10.887 1.00 25.00 C ATOM 2025 CG HIS A 122 7.317 -15.912 -9.617 1.00 25.00 C ATOM 2026 ND1 HIS A 122 6.324 -16.892 -9.527 1.00 25.00 N ATOM 2027 CD2 HIS A 122 7.396 -15.391 -8.361 1.00 25.00 C ATOM 2028 CE1 HIS A 122 5.858 -16.918 -8.286 1.00 25.00 C ATOM 2029 NE2 HIS A 122 6.486 -16.024 -7.572 1.00 25.00 N ATOM 0 H HIS A 122 9.347 -15.733 -13.228 1.00 25.00 H new ATOM 0 HA HIS A 122 9.777 -16.730 -10.431 1.00 25.00 H new ATOM 0 HB2 HIS A 122 8.446 -14.551 -10.780 1.00 25.00 H new ATOM 0 HB3 HIS A 122 7.294 -15.505 -11.694 1.00 25.00 H new ATOM 0 HD1 HIS A 122 6.009 -17.490 -10.291 1.00 25.00 H new ATOM 0 HD2 HIS A 122 8.068 -14.607 -8.045 1.00 25.00 H new ATOM 0 HE1 HIS A 122 5.081 -17.575 -7.923 1.00 25.00 H new ATOM 2037 N HIS A 123 8.696 -18.909 -11.061 1.00 25.00 N ATOM 2038 CA HIS A 123 8.160 -20.209 -11.490 1.00 25.00 C ATOM 2039 C HIS A 123 6.636 -20.125 -11.501 1.00 25.00 C ATOM 2040 O HIS A 123 6.044 -19.585 -10.569 1.00 25.00 O ATOM 2041 CB HIS A 123 8.623 -21.321 -10.533 1.00 25.00 C ATOM 2042 CG HIS A 123 8.112 -22.686 -10.892 1.00 25.00 C ATOM 2043 ND1 HIS A 123 7.207 -23.502 -10.284 1.00 25.00 N flip ATOM 2044 CD2 HIS A 123 8.537 -23.409 -12.013 1.00 25.00 C flip ATOM 2045 CE1 HIS A 123 7.103 -24.650 -11.008 1.00 25.00 C flip ATOM 2046 NE2 HIS A 123 7.905 -24.577 -12.034 1.00 25.00 N flip ATOM 0 H HIS A 123 9.143 -18.916 -10.144 1.00 25.00 H new ATOM 0 HA HIS A 123 8.527 -20.447 -12.488 1.00 25.00 H new ATOM 0 HB2 HIS A 123 9.713 -21.344 -10.519 1.00 25.00 H new ATOM 0 HB3 HIS A 123 8.296 -21.076 -9.522 1.00 25.00 H new ATOM 0 HD2 HIS A 123 9.260 -23.072 -12.741 1.00 25.00 H new ATOM 0 HE1 HIS A 123 6.461 -25.485 -10.771 1.00 25.00 H new ATOM 0 HE2 HIS A 123 8.027 -25.302 -12.741 1.00 25.00 H new ATOM 2054 N HIS A 124 6.013 -20.655 -12.543 1.00 25.00 N ATOM 2055 CA HIS A 124 4.547 -20.676 -12.657 1.00 25.00 C ATOM 2056 C HIS A 124 4.147 -22.056 -13.140 1.00 25.00 C ATOM 2057 O HIS A 124 3.288 -22.720 -12.567 1.00 25.00 O ATOM 2058 CB HIS A 124 4.063 -19.617 -13.654 1.00 25.00 C ATOM 2059 CG HIS A 124 4.396 -18.217 -13.246 1.00 25.00 C ATOM 2060 ND1 HIS A 124 5.089 -17.325 -14.026 1.00 25.00 N ATOM 2061 CD2 HIS A 124 4.120 -17.541 -12.098 1.00 25.00 C ATOM 2062 CE1 HIS A 124 5.203 -16.187 -13.352 1.00 25.00 C ATOM 2063 NE2 HIS A 124 4.641 -16.266 -12.164 1.00 25.00 N ATOM 0 H HIS A 124 6.498 -21.082 -13.333 1.00 25.00 H new ATOM 0 HA HIS A 124 4.095 -20.453 -11.691 1.00 25.00 H new ATOM 0 HB2 HIS A 124 4.506 -19.818 -14.629 1.00 25.00 H new ATOM 0 HB3 HIS A 124 2.983 -19.706 -13.771 1.00 25.00 H new ATOM 0 HD2 HIS A 124 3.573 -17.944 -11.258 1.00 25.00 H new ATOM 0 HE1 HIS A 124 5.696 -15.304 -13.732 1.00 25.00 H new ATOM 0 HE2 HIS A 124 4.600 -15.541 -11.448 1.00 25.00 H new ATOM 2071 N HIS A 125 4.870 -22.510 -14.148 1.00 25.00 N ATOM 2072 CA HIS A 125 4.834 -23.883 -14.601 1.00 25.00 C ATOM 2073 C HIS A 125 6.316 -24.155 -14.705 1.00 25.00 C ATOM 2074 O HIS A 125 6.745 -25.313 -14.758 1.00 25.00 O ATOM 2075 CB HIS A 125 4.132 -24.022 -15.955 1.00 25.00 C ATOM 2076 CG HIS A 125 2.736 -23.475 -15.965 1.00 25.00 C ATOM 2077 ND1 HIS A 125 1.773 -23.801 -15.006 1.00 25.00 N ATOM 2078 CD2 HIS A 125 2.109 -22.603 -16.799 1.00 25.00 C ATOM 2079 CE1 HIS A 125 0.651 -23.147 -15.286 1.00 25.00 C ATOM 2080 NE2 HIS A 125 0.834 -22.425 -16.361 1.00 25.00 N ATOM 2081 OXT HIS A 125 7.047 -23.129 -14.615 1.00 25.00 O ATOM 0 H HIS A 125 5.509 -21.922 -14.682 1.00 25.00 H new ATOM 0 HA HIS A 125 4.282 -24.567 -13.956 1.00 25.00 H new ATOM 0 HB2 HIS A 125 4.721 -23.508 -16.715 1.00 25.00 H new ATOM 0 HB3 HIS A 125 4.103 -25.075 -16.234 1.00 25.00 H new ATOM 0 HD2 HIS A 125 2.550 -22.131 -17.664 1.00 25.00 H new ATOM 0 HE1 HIS A 125 -0.265 -23.203 -14.717 1.00 25.00 H new ATOM 0 HE2 HIS A 125 0.134 -21.826 -16.799 1.00 25.00 H new TER 2089 HIS A 125