USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 914 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 TYR OH : rot 150:sc= -0.0163 USER MOD Set 1.2: A 106 THR OG1 : rot 71:sc= 0.803 USER MOD Set 2.1: A 84 ASN : amide:sc= 0.588 K(o=1.3,f=-1.6) USER MOD Set 2.2: A 87 LYS NZ :NH3+ -173:sc= 0.676 (180deg=0) USER MOD Set 3.1: A 42 CYS SG : rot -120:sc= -0.992 USER MOD Set 3.2: A 62 CYS SG : rot 160:sc= -0.0136 USER MOD Single : A 3 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.15) USER MOD Single : A 6 SER OG : rot -32:sc= 0.211 USER MOD Single : A 7 GLN : amide:sc= -0.182 X(o=-0.18,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.197 X(o=-0.2,f=-0.094) USER MOD Single : A 14 GLN : amide:sc= -0.115 X(o=-0.11,f=-0.34) USER MOD Single : A 16 LYS NZ :NH3+ -139:sc= -0.196 (180deg=-1.55!) USER MOD Single : A 17 GLN : amide:sc= -0.134 K(o=-0.13,f=-1.8) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 3:sc= 0.0152 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -176:sc= 1.19 (180deg=1.17) USER MOD Single : A 39 LYS NZ :NH3+ -114:sc= 0.541 (180deg=-0.263) USER MOD Single : A 41 THR OG1 : rot 81:sc= 0.972 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 50 THR OG1 : rot 71:sc= 0.431 USER MOD Single : A 54 LYS NZ :NH3+ 177:sc= 0.047 (180deg=0.0315) USER MOD Single : A 64 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.14) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.923 X(o=-0.92,f=-0.49) USER MOD Single : A 69 THR OG1 : rot 72:sc= 1.23 USER MOD Single : A 74 LYS NZ :NH3+ -178:sc= 0.952 (180deg=0.949) USER MOD Single : A 78 THR OG1 : rot -106:sc= 0.67 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+ 160:sc= 1.03 (180deg=0.707) USER MOD Single : A 93 LYS NZ :NH3+ 136:sc= 0.574 (180deg=-0.395) USER MOD Single : A 96 ASN : amide:sc= 0.726 K(o=0.73,f=0) USER MOD Single : A 98 GLN : amide:sc= -0.543 K(o=-0.54,f=-4.8!) USER MOD Single : A 100 MET CE :methyl 174:sc= 0 (180deg=-0.0604) USER MOD Single : A 105 GLN : amide:sc= 0.197 K(o=0.2,f=-2.4!) USER MOD Single : A 111 LYS NZ :NH3+ 177:sc= 0.831 (180deg=0.813) USER MOD ----------------------------------------------------------------- ATOM 43 N GLY A 2 1.142 1.098 2.201 1.00 25.00 N ATOM 44 CA GLY A 2 0.562 1.794 3.340 1.00 25.00 C ATOM 45 C GLY A 2 0.065 3.179 2.994 1.00 25.00 C ATOM 46 O GLY A 2 -1.014 3.576 3.415 1.00 25.00 O ATOM 0 HA2 GLY A 2 -0.265 1.205 3.736 1.00 25.00 H new ATOM 0 HA3 GLY A 2 1.308 1.869 4.132 1.00 25.00 H new ATOM 50 N GLN A 3 0.830 3.925 2.216 1.00 25.00 N ATOM 51 CA GLN A 3 0.428 5.284 1.859 1.00 25.00 C ATOM 52 C GLN A 3 -0.752 5.242 0.894 1.00 25.00 C ATOM 53 O GLN A 3 -1.588 6.136 0.885 1.00 25.00 O ATOM 54 CB GLN A 3 1.604 6.046 1.241 1.00 25.00 C ATOM 55 CG GLN A 3 2.803 6.185 2.187 1.00 25.00 C ATOM 56 CD GLN A 3 2.453 6.891 3.484 1.00 25.00 C ATOM 57 OE1 GLN A 3 2.079 8.051 3.495 1.00 25.00 O ATOM 58 NE2 GLN A 3 2.587 6.194 4.581 1.00 25.00 N ATOM 0 H GLN A 3 1.721 3.623 1.822 1.00 25.00 H new ATOM 0 HA GLN A 3 0.121 5.809 2.763 1.00 25.00 H new ATOM 0 HB2 GLN A 3 1.924 5.533 0.334 1.00 25.00 H new ATOM 0 HB3 GLN A 3 1.268 7.039 0.944 1.00 25.00 H new ATOM 0 HG2 GLN A 3 3.198 5.194 2.413 1.00 25.00 H new ATOM 0 HG3 GLN A 3 3.596 6.736 1.682 1.00 25.00 H new ATOM 0 HE21 GLN A 3 2.902 5.225 4.534 1.00 25.00 H new ATOM 0 HE22 GLN A 3 2.376 6.619 5.484 1.00 25.00 H new ATOM 67 N GLU A 4 -0.843 4.172 0.122 1.00 25.00 N ATOM 68 CA GLU A 4 -1.966 3.972 -0.792 1.00 25.00 C ATOM 69 C GLU A 4 -3.224 3.623 0.006 1.00 25.00 C ATOM 70 O GLU A 4 -4.296 4.186 -0.201 1.00 25.00 O ATOM 71 CB GLU A 4 -1.611 2.855 -1.771 1.00 25.00 C ATOM 72 CG GLU A 4 -2.582 2.696 -2.895 1.00 25.00 C ATOM 73 CD GLU A 4 -1.922 2.034 -4.090 1.00 25.00 C ATOM 74 OE1 GLU A 4 -1.819 0.787 -4.107 1.00 25.00 O ATOM 75 OE2 GLU A 4 -1.423 2.768 -4.969 1.00 25.00 O ATOM 0 H GLU A 4 -0.151 3.422 0.107 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.164 4.885 -1.353 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -0.622 3.050 -2.185 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.548 1.914 -1.224 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -3.431 2.097 -2.565 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -2.973 3.672 -3.184 1.00 25.00 H new ATOM 82 N LEU A 5 -3.058 2.745 0.983 1.00 25.00 N ATOM 83 CA LEU A 5 -4.145 2.359 1.886 1.00 25.00 C ATOM 84 C LEU A 5 -4.684 3.568 2.656 1.00 25.00 C ATOM 85 O LEU A 5 -5.888 3.684 2.864 1.00 25.00 O ATOM 86 CB LEU A 5 -3.650 1.298 2.876 1.00 25.00 C ATOM 87 CG LEU A 5 -3.506 -0.137 2.341 1.00 25.00 C ATOM 88 CD1 LEU A 5 -2.741 -0.993 3.358 1.00 25.00 C ATOM 89 CD2 LEU A 5 -4.867 -0.768 2.059 1.00 25.00 C ATOM 0 H LEU A 5 -2.172 2.278 1.177 1.00 25.00 H new ATOM 0 HA LEU A 5 -4.954 1.949 1.282 1.00 25.00 H new ATOM 0 HB2 LEU A 5 -2.680 1.617 3.259 1.00 25.00 H new ATOM 0 HB3 LEU A 5 -4.336 1.277 3.723 1.00 25.00 H new ATOM 0 HG LEU A 5 -2.953 -0.093 1.402 1.00 25.00 H new ATOM 0 HD11 LEU A 5 -2.641 -2.009 2.976 1.00 25.00 H new ATOM 0 HD12 LEU A 5 -1.751 -0.567 3.521 1.00 25.00 H new ATOM 0 HD13 LEU A 5 -3.287 -1.012 4.301 1.00 25.00 H new ATOM 0 HD21 LEU A 5 -4.727 -1.781 1.682 1.00 25.00 H new ATOM 0 HD22 LEU A 5 -5.451 -0.800 2.979 1.00 25.00 H new ATOM 0 HD23 LEU A 5 -5.396 -0.174 1.314 1.00 25.00 H new ATOM 101 N SER A 6 -3.804 4.491 3.028 1.00 25.00 N ATOM 102 CA SER A 6 -4.205 5.738 3.687 1.00 25.00 C ATOM 103 C SER A 6 -5.116 6.647 2.846 1.00 25.00 C ATOM 104 O SER A 6 -5.651 7.622 3.371 1.00 25.00 O ATOM 105 CB SER A 6 -2.965 6.550 4.068 1.00 25.00 C ATOM 106 OG SER A 6 -3.292 7.531 5.040 1.00 25.00 O ATOM 0 H SER A 6 -2.798 4.401 2.885 1.00 25.00 H new ATOM 0 HA SER A 6 -4.778 5.421 4.559 1.00 25.00 H new ATOM 0 HB2 SER A 6 -2.194 5.886 4.458 1.00 25.00 H new ATOM 0 HB3 SER A 6 -2.552 7.031 3.182 1.00 25.00 H new ATOM 0 HG SER A 6 -4.211 7.840 4.897 1.00 25.00 H new ATOM 112 N GLN A 7 -5.279 6.357 1.561 1.00 25.00 N ATOM 113 CA GLN A 7 -6.151 7.159 0.693 1.00 25.00 C ATOM 114 C GLN A 7 -7.533 6.519 0.559 1.00 25.00 C ATOM 115 O GLN A 7 -8.500 7.181 0.189 1.00 25.00 O ATOM 116 CB GLN A 7 -5.527 7.300 -0.698 1.00 25.00 C ATOM 117 CG GLN A 7 -4.181 8.008 -0.689 1.00 25.00 C ATOM 118 CD GLN A 7 -3.544 8.044 -2.057 1.00 25.00 C ATOM 119 OE1 GLN A 7 -4.059 8.652 -2.980 1.00 25.00 O ATOM 120 NE2 GLN A 7 -2.415 7.403 -2.188 1.00 25.00 N ATOM 0 H GLN A 7 -4.822 5.575 1.092 1.00 25.00 H new ATOM 0 HA GLN A 7 -6.261 8.143 1.150 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -5.405 6.309 -1.135 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -6.214 7.850 -1.342 1.00 25.00 H new ATOM 0 HG2 GLN A 7 -4.311 9.027 -0.324 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -3.512 7.503 0.008 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -2.016 6.906 -1.392 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -1.932 7.399 -3.086 1.00 25.00 H new ATOM 129 N HIS A 8 -7.630 5.229 0.845 1.00 25.00 N ATOM 130 CA HIS A 8 -8.902 4.522 0.733 1.00 25.00 C ATOM 131 C HIS A 8 -9.742 4.794 1.974 1.00 25.00 C ATOM 132 O HIS A 8 -9.610 4.099 2.973 1.00 25.00 O ATOM 133 CB HIS A 8 -8.671 3.017 0.575 1.00 25.00 C ATOM 134 CG HIS A 8 -9.882 2.278 0.094 1.00 25.00 C ATOM 135 ND1 HIS A 8 -10.271 2.208 -1.220 1.00 25.00 N ATOM 136 CD2 HIS A 8 -10.817 1.560 0.775 1.00 25.00 C ATOM 137 CE1 HIS A 8 -11.386 1.488 -1.287 1.00 25.00 C ATOM 138 NE2 HIS A 8 -11.768 1.073 -0.098 1.00 25.00 N ATOM 0 H HIS A 8 -6.849 4.651 1.155 1.00 25.00 H new ATOM 0 HA HIS A 8 -9.430 4.881 -0.151 1.00 25.00 H new ATOM 0 HB2 HIS A 8 -7.852 2.854 -0.126 1.00 25.00 H new ATOM 0 HB3 HIS A 8 -8.358 2.602 1.533 1.00 25.00 H new ATOM 0 HD2 HIS A 8 -10.815 1.396 1.842 1.00 25.00 H new ATOM 0 HE1 HIS A 8 -11.913 1.270 -2.204 1.00 25.00 H new ATOM 0 HE2 HIS A 8 -12.589 0.513 0.129 1.00 25.00 H new ATOM 146 N GLU A 9 -10.587 5.816 1.928 1.00 25.00 N ATOM 147 CA GLU A 9 -11.338 6.239 3.115 1.00 25.00 C ATOM 148 C GLU A 9 -12.102 5.121 3.818 1.00 25.00 C ATOM 149 O GLU A 9 -12.147 5.087 5.034 1.00 25.00 O ATOM 150 CB GLU A 9 -12.306 7.370 2.779 1.00 25.00 C ATOM 151 CG GLU A 9 -11.617 8.708 2.601 1.00 25.00 C ATOM 152 CD GLU A 9 -12.561 9.864 2.880 1.00 25.00 C ATOM 153 OE1 GLU A 9 -13.410 10.169 2.020 1.00 25.00 O ATOM 154 OE2 GLU A 9 -12.480 10.436 3.996 1.00 25.00 O ATOM 0 H GLU A 9 -10.773 6.367 1.090 1.00 25.00 H new ATOM 0 HA GLU A 9 -10.574 6.582 3.812 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -12.844 7.120 1.864 1.00 25.00 H new ATOM 0 HB3 GLU A 9 -13.048 7.453 3.573 1.00 25.00 H new ATOM 0 HG2 GLU A 9 -10.759 8.768 3.271 1.00 25.00 H new ATOM 0 HG3 GLU A 9 -11.233 8.788 1.584 1.00 25.00 H new ATOM 161 N ARG A 10 -12.651 4.176 3.072 1.00 25.00 N ATOM 162 CA ARG A 10 -13.390 3.056 3.674 1.00 25.00 C ATOM 163 C ARG A 10 -12.506 2.198 4.592 1.00 25.00 C ATOM 164 O ARG A 10 -12.953 1.694 5.624 1.00 25.00 O ATOM 165 CB ARG A 10 -13.965 2.194 2.555 1.00 25.00 C ATOM 166 CG ARG A 10 -15.218 1.439 2.924 1.00 25.00 C ATOM 167 CD ARG A 10 -15.672 0.617 1.733 1.00 25.00 C ATOM 168 NE ARG A 10 -17.077 0.195 1.854 1.00 25.00 N ATOM 169 CZ ARG A 10 -17.740 -0.511 0.946 1.00 25.00 C ATOM 170 NH1 ARG A 10 -17.179 -0.925 -0.165 1.00 25.00 N ATOM 171 NH2 ARG A 10 -18.993 -0.804 1.158 1.00 25.00 N ATOM 0 H ARG A 10 -12.605 4.153 2.053 1.00 25.00 H new ATOM 0 HA ARG A 10 -14.186 3.468 4.294 1.00 25.00 H new ATOM 0 HB2 ARG A 10 -14.180 2.831 1.697 1.00 25.00 H new ATOM 0 HB3 ARG A 10 -13.206 1.479 2.238 1.00 25.00 H new ATOM 0 HG2 ARG A 10 -15.028 0.789 3.778 1.00 25.00 H new ATOM 0 HG3 ARG A 10 -16.002 2.135 3.221 1.00 25.00 H new ATOM 0 HD2 ARG A 10 -15.547 1.201 0.821 1.00 25.00 H new ATOM 0 HD3 ARG A 10 -15.037 -0.263 1.637 1.00 25.00 H new ATOM 0 HE ARG A 10 -17.579 0.466 2.700 1.00 25.00 H new ATOM 0 HH11 ARG A 10 -16.201 -0.706 -0.355 1.00 25.00 H new ATOM 0 HH12 ARG A 10 -17.721 -1.466 -0.839 1.00 25.00 H new ATOM 0 HH21 ARG A 10 -19.452 -0.491 2.013 1.00 25.00 H new ATOM 0 HH22 ARG A 10 -19.514 -1.346 0.468 1.00 25.00 H new ATOM 185 N TYR A 11 -11.243 2.065 4.226 1.00 25.00 N ATOM 186 CA TYR A 11 -10.278 1.307 5.014 1.00 25.00 C ATOM 187 C TYR A 11 -9.733 2.194 6.125 1.00 25.00 C ATOM 188 O TYR A 11 -9.591 1.767 7.277 1.00 25.00 O ATOM 189 CB TYR A 11 -9.141 0.836 4.111 1.00 25.00 C ATOM 190 CG TYR A 11 -7.996 0.224 4.868 1.00 25.00 C ATOM 191 CD1 TYR A 11 -8.116 -1.048 5.455 1.00 25.00 C ATOM 192 CD2 TYR A 11 -6.778 0.915 5.009 1.00 25.00 C ATOM 193 CE1 TYR A 11 -7.036 -1.619 6.164 1.00 25.00 C ATOM 194 CE2 TYR A 11 -5.696 0.335 5.711 1.00 25.00 C ATOM 195 CZ TYR A 11 -5.839 -0.926 6.280 1.00 25.00 C ATOM 196 OH TYR A 11 -4.791 -1.490 6.954 1.00 25.00 O ATOM 0 H TYR A 11 -10.855 2.477 3.377 1.00 25.00 H new ATOM 0 HA TYR A 11 -10.762 0.436 5.455 1.00 25.00 H new ATOM 0 HB2 TYR A 11 -9.529 0.106 3.400 1.00 25.00 H new ATOM 0 HB3 TYR A 11 -8.773 1.682 3.530 1.00 25.00 H new ATOM 0 HD1 TYR A 11 -9.043 -1.594 5.363 1.00 25.00 H new ATOM 0 HD2 TYR A 11 -6.669 1.899 4.577 1.00 25.00 H new ATOM 0 HE1 TYR A 11 -7.142 -2.594 6.616 1.00 25.00 H new ATOM 0 HE2 TYR A 11 -4.762 0.869 5.805 1.00 25.00 H new ATOM 0 HH TYR A 11 -3.947 -1.169 6.574 1.00 25.00 H new ATOM 206 N VAL A 12 -9.495 3.453 5.788 1.00 25.00 N ATOM 207 CA VAL A 12 -9.074 4.456 6.768 1.00 25.00 C ATOM 208 C VAL A 12 -10.088 4.513 7.908 1.00 25.00 C ATOM 209 O VAL A 12 -9.697 4.617 9.052 1.00 25.00 O ATOM 210 CB VAL A 12 -8.926 5.862 6.103 1.00 25.00 C ATOM 211 CG1 VAL A 12 -8.680 6.975 7.135 1.00 25.00 C ATOM 212 CG2 VAL A 12 -7.773 5.853 5.105 1.00 25.00 C ATOM 0 H VAL A 12 -9.586 3.811 4.837 1.00 25.00 H new ATOM 0 HA VAL A 12 -8.100 4.169 7.164 1.00 25.00 H new ATOM 0 HB VAL A 12 -9.868 6.071 5.596 1.00 25.00 H new ATOM 0 HG11 VAL A 12 -8.584 7.932 6.622 1.00 25.00 H new ATOM 0 HG12 VAL A 12 -9.518 7.018 7.830 1.00 25.00 H new ATOM 0 HG13 VAL A 12 -7.763 6.765 7.685 1.00 25.00 H new ATOM 0 HG21 VAL A 12 -7.680 6.838 4.648 1.00 25.00 H new ATOM 0 HG22 VAL A 12 -6.846 5.603 5.622 1.00 25.00 H new ATOM 0 HG23 VAL A 12 -7.968 5.111 4.331 1.00 25.00 H new ATOM 222 N GLU A 13 -11.378 4.401 7.621 1.00 25.00 N ATOM 223 CA GLU A 13 -12.398 4.434 8.672 1.00 25.00 C ATOM 224 C GLU A 13 -12.258 3.308 9.685 1.00 25.00 C ATOM 225 O GLU A 13 -12.404 3.535 10.889 1.00 25.00 O ATOM 226 CB GLU A 13 -13.804 4.417 8.077 1.00 25.00 C ATOM 227 CG GLU A 13 -14.208 5.778 7.565 1.00 25.00 C ATOM 228 CD GLU A 13 -15.692 5.921 7.371 1.00 25.00 C ATOM 229 OE1 GLU A 13 -16.308 5.113 6.648 1.00 25.00 O ATOM 230 OE2 GLU A 13 -16.245 6.871 7.970 1.00 25.00 O ATOM 0 H GLU A 13 -11.746 4.287 6.677 1.00 25.00 H new ATOM 0 HA GLU A 13 -12.238 5.371 9.206 1.00 25.00 H new ATOM 0 HB2 GLU A 13 -13.846 3.694 7.262 1.00 25.00 H new ATOM 0 HB3 GLU A 13 -14.516 4.086 8.833 1.00 25.00 H new ATOM 0 HG2 GLU A 13 -13.865 6.539 8.265 1.00 25.00 H new ATOM 0 HG3 GLU A 13 -13.704 5.967 6.617 1.00 25.00 H new ATOM 237 N GLN A 14 -11.899 2.116 9.240 1.00 25.00 N ATOM 238 CA GLN A 14 -11.653 1.034 10.184 1.00 25.00 C ATOM 239 C GLN A 14 -10.418 1.362 11.006 1.00 25.00 C ATOM 240 O GLN A 14 -10.393 1.144 12.216 1.00 25.00 O ATOM 241 CB GLN A 14 -11.470 -0.303 9.468 1.00 25.00 C ATOM 242 CG GLN A 14 -12.732 -0.798 8.781 1.00 25.00 C ATOM 243 CD GLN A 14 -13.934 -0.815 9.711 1.00 25.00 C ATOM 244 OE1 GLN A 14 -14.942 -0.197 9.437 1.00 25.00 O ATOM 245 NE2 GLN A 14 -13.825 -1.510 10.814 1.00 25.00 N ATOM 0 H GLN A 14 -11.773 1.874 8.257 1.00 25.00 H new ATOM 0 HA GLN A 14 -12.520 0.939 10.838 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -10.677 -0.204 8.727 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -11.141 -1.051 10.189 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -12.949 -0.160 7.924 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -12.561 -1.803 8.395 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -12.963 -2.018 11.014 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -14.602 -1.544 11.474 1.00 25.00 H new ATOM 254 N LEU A 15 -9.416 1.952 10.375 1.00 25.00 N ATOM 255 CA LEU A 15 -8.214 2.366 11.092 1.00 25.00 C ATOM 256 C LEU A 15 -8.465 3.548 12.037 1.00 25.00 C ATOM 257 O LEU A 15 -7.739 3.701 13.019 1.00 25.00 O ATOM 258 CB LEU A 15 -7.086 2.717 10.121 1.00 25.00 C ATOM 259 CG LEU A 15 -6.416 1.577 9.340 1.00 25.00 C ATOM 260 CD1 LEU A 15 -5.273 2.184 8.535 1.00 25.00 C ATOM 261 CD2 LEU A 15 -5.864 0.475 10.257 1.00 25.00 C ATOM 0 H LEU A 15 -9.407 2.155 9.376 1.00 25.00 H new ATOM 0 HA LEU A 15 -7.917 1.512 11.700 1.00 25.00 H new ATOM 0 HB2 LEU A 15 -7.481 3.429 9.396 1.00 25.00 H new ATOM 0 HB3 LEU A 15 -6.310 3.234 10.686 1.00 25.00 H new ATOM 0 HG LEU A 15 -7.163 1.107 8.700 1.00 25.00 H new ATOM 0 HD11 LEU A 15 -4.773 1.401 7.966 1.00 25.00 H new ATOM 0 HD12 LEU A 15 -5.669 2.934 7.850 1.00 25.00 H new ATOM 0 HD13 LEU A 15 -4.559 2.652 9.213 1.00 25.00 H new ATOM 0 HD21 LEU A 15 -5.402 -0.305 9.651 1.00 25.00 H new ATOM 0 HD22 LEU A 15 -5.120 0.901 10.930 1.00 25.00 H new ATOM 0 HD23 LEU A 15 -6.678 0.046 10.841 1.00 25.00 H new ATOM 273 N LYS A 16 -9.496 4.354 11.787 1.00 25.00 N ATOM 274 CA LYS A 16 -9.835 5.475 12.685 1.00 25.00 C ATOM 275 C LYS A 16 -10.161 4.870 14.033 1.00 25.00 C ATOM 276 O LYS A 16 -9.842 5.444 15.066 1.00 25.00 O ATOM 277 CB LYS A 16 -11.041 6.308 12.188 1.00 25.00 C ATOM 278 CG LYS A 16 -10.790 7.180 10.936 1.00 25.00 C ATOM 279 CD LYS A 16 -12.096 7.853 10.435 1.00 25.00 C ATOM 280 CE LYS A 16 -11.916 8.479 9.027 1.00 25.00 C ATOM 281 NZ LYS A 16 -13.211 9.025 8.428 1.00 25.00 N ATOM 0 H LYS A 16 -10.111 4.259 10.979 1.00 25.00 H new ATOM 0 HA LYS A 16 -8.990 6.162 12.728 1.00 25.00 H new ATOM 0 HB2 LYS A 16 -11.864 5.627 11.973 1.00 25.00 H new ATOM 0 HB3 LYS A 16 -11.368 6.958 13.000 1.00 25.00 H new ATOM 0 HG2 LYS A 16 -10.051 7.947 11.169 1.00 25.00 H new ATOM 0 HG3 LYS A 16 -10.370 6.564 10.141 1.00 25.00 H new ATOM 0 HD2 LYS A 16 -12.897 7.115 10.405 1.00 25.00 H new ATOM 0 HD3 LYS A 16 -12.401 8.626 11.141 1.00 25.00 H new ATOM 0 HE2 LYS A 16 -11.186 9.286 9.088 1.00 25.00 H new ATOM 0 HE3 LYS A 16 -11.504 7.727 8.355 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 -13.253 8.787 7.417 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 -14.025 8.602 8.918 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 -13.237 10.058 8.542 1.00 25.00 H new ATOM 295 N GLN A 17 -10.772 3.695 14.019 1.00 25.00 N ATOM 296 CA GLN A 17 -11.047 2.975 15.254 1.00 25.00 C ATOM 297 C GLN A 17 -9.834 2.158 15.709 1.00 25.00 C ATOM 298 O GLN A 17 -9.479 2.177 16.879 1.00 25.00 O ATOM 299 CB GLN A 17 -12.257 2.043 15.084 1.00 25.00 C ATOM 300 CG GLN A 17 -13.508 2.693 14.454 1.00 25.00 C ATOM 301 CD GLN A 17 -14.082 3.869 15.243 1.00 25.00 C ATOM 302 OE1 GLN A 17 -13.654 4.189 16.346 1.00 25.00 O ATOM 303 NE2 GLN A 17 -15.054 4.521 14.665 1.00 25.00 N ATOM 0 H GLN A 17 -11.085 3.222 13.172 1.00 25.00 H new ATOM 0 HA GLN A 17 -11.270 3.720 16.018 1.00 25.00 H new ATOM 0 HB2 GLN A 17 -11.958 1.196 14.467 1.00 25.00 H new ATOM 0 HB3 GLN A 17 -12.528 1.645 16.062 1.00 25.00 H new ATOM 0 HG2 GLN A 17 -13.257 3.035 13.450 1.00 25.00 H new ATOM 0 HG3 GLN A 17 -14.281 1.932 14.347 1.00 25.00 H new ATOM 0 HE21 GLN A 17 -15.388 4.230 13.746 1.00 25.00 H new ATOM 0 HE22 GLN A 17 -15.480 5.322 15.132 1.00 25.00 H new ATOM 312 N ALA A 18 -9.217 1.426 14.791 1.00 25.00 N ATOM 313 CA ALA A 18 -8.134 0.502 15.140 1.00 25.00 C ATOM 314 C ALA A 18 -6.921 1.183 15.804 1.00 25.00 C ATOM 315 O ALA A 18 -6.353 0.648 16.755 1.00 25.00 O ATOM 316 CB ALA A 18 -7.683 -0.276 13.898 1.00 25.00 C ATOM 0 H ALA A 18 -9.445 1.451 13.797 1.00 25.00 H new ATOM 0 HA ALA A 18 -8.547 -0.179 15.884 1.00 25.00 H new ATOM 0 HB1 ALA A 18 -6.878 -0.959 14.169 1.00 25.00 H new ATOM 0 HB2 ALA A 18 -8.523 -0.845 13.500 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -7.326 0.422 13.141 1.00 25.00 H new ATOM 322 N LEU A 19 -6.523 2.355 15.314 1.00 25.00 N ATOM 323 CA LEU A 19 -5.384 3.069 15.909 1.00 25.00 C ATOM 324 C LEU A 19 -5.725 3.442 17.359 1.00 25.00 C ATOM 325 O LEU A 19 -4.872 3.371 18.241 1.00 25.00 O ATOM 326 CB LEU A 19 -5.018 4.341 15.110 1.00 25.00 C ATOM 327 CG LEU A 19 -3.864 4.226 14.079 1.00 25.00 C ATOM 328 CD1 LEU A 19 -4.296 3.607 12.753 1.00 25.00 C ATOM 329 CD2 LEU A 19 -3.265 5.604 13.777 1.00 25.00 C ATOM 0 H LEU A 19 -6.959 2.827 14.522 1.00 25.00 H new ATOM 0 HA LEU A 19 -4.518 2.408 15.883 1.00 25.00 H new ATOM 0 HB2 LEU A 19 -5.911 4.676 14.581 1.00 25.00 H new ATOM 0 HB3 LEU A 19 -4.757 5.124 15.822 1.00 25.00 H new ATOM 0 HG LEU A 19 -3.128 3.569 14.544 1.00 25.00 H new ATOM 0 HD11 LEU A 19 -3.441 3.557 12.079 1.00 25.00 H new ATOM 0 HD12 LEU A 19 -4.679 2.602 12.928 1.00 25.00 H new ATOM 0 HD13 LEU A 19 -5.077 4.220 12.303 1.00 25.00 H new ATOM 0 HD21 LEU A 19 -2.458 5.499 13.052 1.00 25.00 H new ATOM 0 HD22 LEU A 19 -4.038 6.255 13.368 1.00 25.00 H new ATOM 0 HD23 LEU A 19 -2.873 6.040 14.696 1.00 25.00 H new ATOM 341 N LYS A 20 -6.979 3.807 17.609 1.00 25.00 N ATOM 342 CA LYS A 20 -7.421 4.174 18.964 1.00 25.00 C ATOM 343 C LYS A 20 -7.481 2.973 19.895 1.00 25.00 C ATOM 344 O LYS A 20 -7.060 3.062 21.039 1.00 25.00 O ATOM 345 CB LYS A 20 -8.821 4.793 18.939 1.00 25.00 C ATOM 346 CG LYS A 20 -8.932 6.110 18.209 1.00 25.00 C ATOM 347 CD LYS A 20 -10.396 6.528 18.173 1.00 25.00 C ATOM 348 CE LYS A 20 -10.607 7.785 17.353 1.00 25.00 C ATOM 349 NZ LYS A 20 -12.074 8.105 17.283 1.00 25.00 N ATOM 0 H LYS A 20 -7.709 3.859 16.899 1.00 25.00 H new ATOM 0 HA LYS A 20 -6.684 4.889 19.330 1.00 25.00 H new ATOM 0 HB2 LYS A 20 -9.506 4.082 18.478 1.00 25.00 H new ATOM 0 HB3 LYS A 20 -9.155 4.937 19.967 1.00 25.00 H new ATOM 0 HG2 LYS A 20 -8.334 6.871 18.710 1.00 25.00 H new ATOM 0 HG3 LYS A 20 -8.542 6.014 17.196 1.00 25.00 H new ATOM 0 HD2 LYS A 20 -10.994 5.718 17.756 1.00 25.00 H new ATOM 0 HD3 LYS A 20 -10.751 6.695 19.190 1.00 25.00 H new ATOM 0 HE2 LYS A 20 -10.064 8.618 17.800 1.00 25.00 H new ATOM 0 HE3 LYS A 20 -10.207 7.647 16.349 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 -12.215 8.968 16.720 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 -12.581 7.314 16.837 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 -12.443 8.255 18.244 1.00 25.00 H new ATOM 363 N THR A 21 -8.019 1.860 19.416 1.00 25.00 N ATOM 364 CA THR A 21 -8.208 0.671 20.258 1.00 25.00 C ATOM 365 C THR A 21 -6.887 0.022 20.640 1.00 25.00 C ATOM 366 O THR A 21 -6.834 -0.793 21.551 1.00 25.00 O ATOM 367 CB THR A 21 -9.093 -0.384 19.562 1.00 25.00 C ATOM 368 OG1 THR A 21 -8.584 -0.656 18.255 1.00 25.00 O ATOM 369 CG2 THR A 21 -10.519 0.117 19.415 1.00 25.00 C ATOM 0 H THR A 21 -8.334 1.748 18.452 1.00 25.00 H new ATOM 0 HA THR A 21 -8.704 1.023 21.162 1.00 25.00 H new ATOM 0 HB THR A 21 -9.083 -1.285 20.175 1.00 25.00 H new ATOM 0 HG1 THR A 21 -7.758 -0.147 18.113 1.00 25.00 H new ATOM 0 HG21 THR A 21 -11.123 -0.644 18.922 1.00 25.00 H new ATOM 0 HG22 THR A 21 -10.934 0.327 20.401 1.00 25.00 H new ATOM 0 HG23 THR A 21 -10.525 1.028 18.817 1.00 25.00 H new ATOM 377 N ARG A 22 -5.806 0.426 19.989 1.00 25.00 N ATOM 378 CA ARG A 22 -4.478 -0.043 20.367 1.00 25.00 C ATOM 379 C ARG A 22 -4.089 0.555 21.724 1.00 25.00 C ATOM 380 O ARG A 22 -3.272 -0.007 22.443 1.00 25.00 O ATOM 381 CB ARG A 22 -3.466 0.356 19.288 1.00 25.00 C ATOM 382 CG ARG A 22 -2.406 -0.706 18.972 1.00 25.00 C ATOM 383 CD ARG A 22 -1.318 -0.813 20.050 1.00 25.00 C ATOM 384 NE ARG A 22 -1.624 -1.842 21.055 1.00 25.00 N ATOM 385 CZ ARG A 22 -1.188 -3.096 21.036 1.00 25.00 C ATOM 386 NH1 ARG A 22 -0.408 -3.552 20.094 1.00 25.00 N ATOM 387 NH2 ARG A 22 -1.543 -3.912 21.986 1.00 25.00 N ATOM 0 H ARG A 22 -5.820 1.074 19.201 1.00 25.00 H new ATOM 0 HA ARG A 22 -4.482 -1.129 20.455 1.00 25.00 H new ATOM 0 HB2 ARG A 22 -4.008 0.591 18.372 1.00 25.00 H new ATOM 0 HB3 ARG A 22 -2.961 1.269 19.604 1.00 25.00 H new ATOM 0 HG2 ARG A 22 -2.893 -1.674 18.859 1.00 25.00 H new ATOM 0 HG3 ARG A 22 -1.939 -0.471 18.016 1.00 25.00 H new ATOM 0 HD2 ARG A 22 -0.363 -1.043 19.577 1.00 25.00 H new ATOM 0 HD3 ARG A 22 -1.204 0.152 20.545 1.00 25.00 H new ATOM 0 HE ARG A 22 -2.223 -1.569 21.834 1.00 25.00 H new ATOM 0 HH11 ARG A 22 -0.111 -2.938 19.336 1.00 25.00 H new ATOM 0 HH12 ARG A 22 -0.095 -4.523 20.116 1.00 25.00 H new ATOM 0 HH21 ARG A 22 -2.151 -3.586 22.737 1.00 25.00 H new ATOM 0 HH22 ARG A 22 -1.213 -4.877 21.979 1.00 25.00 H new ATOM 401 N GLY A 23 -4.685 1.687 22.072 1.00 25.00 N ATOM 402 CA GLY A 23 -4.415 2.315 23.356 1.00 25.00 C ATOM 403 C GLY A 23 -3.070 3.012 23.418 1.00 25.00 C ATOM 404 O GLY A 23 -2.527 3.214 24.496 1.00 25.00 O ATOM 0 H GLY A 23 -5.355 2.186 21.487 1.00 25.00 H new ATOM 0 HA2 GLY A 23 -5.201 3.040 23.569 1.00 25.00 H new ATOM 0 HA3 GLY A 23 -4.459 1.557 24.138 1.00 25.00 H new ATOM 408 N VAL A 24 -2.518 3.373 22.267 1.00 25.00 N ATOM 409 CA VAL A 24 -1.207 4.023 22.223 1.00 25.00 C ATOM 410 C VAL A 24 -1.270 5.236 21.293 1.00 25.00 C ATOM 411 O VAL A 24 -2.089 5.292 20.374 1.00 25.00 O ATOM 412 CB VAL A 24 -0.095 3.001 21.796 1.00 25.00 C ATOM 413 CG1 VAL A 24 -0.162 2.696 20.302 1.00 25.00 C ATOM 414 CG2 VAL A 24 1.307 3.510 22.173 1.00 25.00 C ATOM 0 H VAL A 24 -2.951 3.230 21.355 1.00 25.00 H new ATOM 0 HA VAL A 24 -0.940 4.377 23.219 1.00 25.00 H new ATOM 0 HB VAL A 24 -0.283 2.076 22.342 1.00 25.00 H new ATOM 0 HG11 VAL A 24 0.622 1.985 20.040 1.00 25.00 H new ATOM 0 HG12 VAL A 24 -1.135 2.268 20.061 1.00 25.00 H new ATOM 0 HG13 VAL A 24 -0.021 3.617 19.736 1.00 25.00 H new ATOM 0 HG21 VAL A 24 2.055 2.779 21.864 1.00 25.00 H new ATOM 0 HG22 VAL A 24 1.497 4.458 21.671 1.00 25.00 H new ATOM 0 HG23 VAL A 24 1.364 3.653 23.252 1.00 25.00 H new ATOM 424 N LYS A 25 -0.430 6.227 21.560 1.00 25.00 N ATOM 425 CA LYS A 25 -0.417 7.472 20.791 1.00 25.00 C ATOM 426 C LYS A 25 0.361 7.312 19.480 1.00 25.00 C ATOM 427 O LYS A 25 1.541 7.645 19.404 1.00 25.00 O ATOM 428 CB LYS A 25 0.191 8.587 21.656 1.00 25.00 C ATOM 429 CG LYS A 25 0.038 9.996 21.082 1.00 25.00 C ATOM 430 CD LYS A 25 0.705 11.011 22.005 1.00 25.00 C ATOM 431 CE LYS A 25 0.528 12.436 21.489 1.00 25.00 C ATOM 432 NZ LYS A 25 1.198 13.431 22.403 1.00 25.00 N ATOM 0 H LYS A 25 0.260 6.195 22.311 1.00 25.00 H new ATOM 0 HA LYS A 25 -1.441 7.735 20.524 1.00 25.00 H new ATOM 0 HB2 LYS A 25 -0.274 8.558 22.641 1.00 25.00 H new ATOM 0 HB3 LYS A 25 1.252 8.380 21.798 1.00 25.00 H new ATOM 0 HG2 LYS A 25 0.487 10.044 20.090 1.00 25.00 H new ATOM 0 HG3 LYS A 25 -1.019 10.237 20.966 1.00 25.00 H new ATOM 0 HD2 LYS A 25 0.280 10.930 23.005 1.00 25.00 H new ATOM 0 HD3 LYS A 25 1.767 10.783 22.091 1.00 25.00 H new ATOM 0 HE2 LYS A 25 0.948 12.518 20.487 1.00 25.00 H new ATOM 0 HE3 LYS A 25 -0.534 12.668 21.410 1.00 25.00 H new ATOM 0 HZ1 LYS A 25 1.062 14.392 22.029 1.00 25.00 H new ATOM 0 HZ2 LYS A 25 0.779 13.367 23.353 1.00 25.00 H new ATOM 0 HZ3 LYS A 25 2.215 13.221 22.458 1.00 25.00 H new ATOM 446 N VAL A 26 -0.309 6.822 18.450 1.00 25.00 N ATOM 447 CA VAL A 26 0.292 6.691 17.118 1.00 25.00 C ATOM 448 C VAL A 26 -0.434 7.607 16.143 1.00 25.00 C ATOM 449 O VAL A 26 -1.597 7.952 16.339 1.00 25.00 O ATOM 450 CB VAL A 26 0.256 5.225 16.588 1.00 25.00 C ATOM 451 CG1 VAL A 26 1.392 4.414 17.214 1.00 25.00 C ATOM 452 CG2 VAL A 26 -1.101 4.556 16.877 1.00 25.00 C ATOM 0 H VAL A 26 -1.277 6.504 18.504 1.00 25.00 H new ATOM 0 HA VAL A 26 1.340 6.978 17.202 1.00 25.00 H new ATOM 0 HB VAL A 26 0.389 5.253 15.507 1.00 25.00 H new ATOM 0 HG11 VAL A 26 1.359 3.391 16.838 1.00 25.00 H new ATOM 0 HG12 VAL A 26 2.349 4.866 16.953 1.00 25.00 H new ATOM 0 HG13 VAL A 26 1.279 4.406 18.298 1.00 25.00 H new ATOM 0 HG21 VAL A 26 -1.092 3.535 16.495 1.00 25.00 H new ATOM 0 HG22 VAL A 26 -1.277 4.539 17.953 1.00 25.00 H new ATOM 0 HG23 VAL A 26 -1.896 5.120 16.389 1.00 25.00 H new ATOM 462 N LYS A 27 0.276 8.029 15.107 1.00 25.00 N ATOM 463 CA LYS A 27 -0.271 8.933 14.096 1.00 25.00 C ATOM 464 C LYS A 27 -0.554 8.106 12.857 1.00 25.00 C ATOM 465 O LYS A 27 0.197 7.194 12.551 1.00 25.00 O ATOM 466 CB LYS A 27 0.755 10.034 13.794 1.00 25.00 C ATOM 467 CG LYS A 27 0.261 11.144 12.866 1.00 25.00 C ATOM 468 CD LYS A 27 1.368 12.164 12.620 1.00 25.00 C ATOM 469 CE LYS A 27 0.896 13.305 11.723 1.00 25.00 C ATOM 470 NZ LYS A 27 2.015 14.280 11.462 1.00 25.00 N ATOM 0 H LYS A 27 1.245 7.758 14.940 1.00 25.00 H new ATOM 0 HA LYS A 27 -1.188 9.411 14.441 1.00 25.00 H new ATOM 0 HB2 LYS A 27 1.071 10.483 14.736 1.00 25.00 H new ATOM 0 HB3 LYS A 27 1.637 9.575 13.348 1.00 25.00 H new ATOM 0 HG2 LYS A 27 -0.065 10.716 11.918 1.00 25.00 H new ATOM 0 HG3 LYS A 27 -0.605 11.637 13.307 1.00 25.00 H new ATOM 0 HD2 LYS A 27 1.709 12.568 13.573 1.00 25.00 H new ATOM 0 HD3 LYS A 27 2.223 11.669 12.159 1.00 25.00 H new ATOM 0 HE2 LYS A 27 0.530 12.903 10.778 1.00 25.00 H new ATOM 0 HE3 LYS A 27 0.060 13.822 12.194 1.00 25.00 H new ATOM 0 HZ1 LYS A 27 1.671 15.047 10.850 1.00 25.00 H new ATOM 0 HZ2 LYS A 27 2.346 14.678 12.364 1.00 25.00 H new ATOM 0 HZ3 LYS A 27 2.801 13.788 10.992 1.00 25.00 H new ATOM 484 N PHE A 28 -1.614 8.440 12.135 1.00 25.00 N ATOM 485 CA PHE A 28 -1.984 7.713 10.920 1.00 25.00 C ATOM 486 C PHE A 28 -0.839 7.628 9.925 1.00 25.00 C ATOM 487 O PHE A 28 -0.498 6.550 9.462 1.00 25.00 O ATOM 488 CB PHE A 28 -3.160 8.415 10.245 1.00 25.00 C ATOM 489 CG PHE A 28 -4.435 7.648 10.323 1.00 25.00 C ATOM 490 CD1 PHE A 28 -4.761 6.720 9.321 1.00 25.00 C ATOM 491 CD2 PHE A 28 -5.329 7.848 11.390 1.00 25.00 C ATOM 492 CE1 PHE A 28 -5.964 5.999 9.374 1.00 25.00 C ATOM 493 CE2 PHE A 28 -6.544 7.133 11.451 1.00 25.00 C ATOM 494 CZ PHE A 28 -6.861 6.211 10.436 1.00 25.00 C ATOM 0 H PHE A 28 -2.238 9.213 12.367 1.00 25.00 H new ATOM 0 HA PHE A 28 -2.250 6.699 11.220 1.00 25.00 H new ATOM 0 HB2 PHE A 28 -3.304 9.391 10.708 1.00 25.00 H new ATOM 0 HB3 PHE A 28 -2.915 8.591 9.198 1.00 25.00 H new ATOM 0 HD1 PHE A 28 -4.078 6.559 8.500 1.00 25.00 H new ATOM 0 HD2 PHE A 28 -5.084 8.555 12.169 1.00 25.00 H new ATOM 0 HE1 PHE A 28 -6.200 5.283 8.601 1.00 25.00 H new ATOM 0 HE2 PHE A 28 -7.227 7.292 12.272 1.00 25.00 H new ATOM 0 HZ PHE A 28 -7.793 5.666 10.473 1.00 25.00 H new ATOM 504 N ALA A 29 -0.237 8.769 9.621 1.00 25.00 N ATOM 505 CA ALA A 29 0.844 8.825 8.648 1.00 25.00 C ATOM 506 C ALA A 29 1.986 7.885 9.034 1.00 25.00 C ATOM 507 O ALA A 29 2.535 7.200 8.188 1.00 25.00 O ATOM 508 CB ALA A 29 1.359 10.267 8.523 1.00 25.00 C ATOM 0 H ALA A 29 -0.479 9.669 10.035 1.00 25.00 H new ATOM 0 HA ALA A 29 0.454 8.498 7.684 1.00 25.00 H new ATOM 0 HB1 ALA A 29 2.168 10.302 7.793 1.00 25.00 H new ATOM 0 HB2 ALA A 29 0.547 10.916 8.196 1.00 25.00 H new ATOM 0 HB3 ALA A 29 1.728 10.607 9.491 1.00 25.00 H new ATOM 514 N ASP A 30 2.331 7.854 10.312 1.00 25.00 N ATOM 515 CA ASP A 30 3.433 7.024 10.779 1.00 25.00 C ATOM 516 C ASP A 30 3.057 5.558 10.800 1.00 25.00 C ATOM 517 O ASP A 30 3.877 4.710 10.491 1.00 25.00 O ATOM 518 CB ASP A 30 3.873 7.458 12.175 1.00 25.00 C ATOM 519 CG ASP A 30 4.605 8.778 12.156 1.00 25.00 C ATOM 520 OD1 ASP A 30 5.827 8.774 11.878 1.00 25.00 O ATOM 521 OD2 ASP A 30 3.957 9.828 12.364 1.00 25.00 O ATOM 0 H ASP A 30 1.866 8.392 11.043 1.00 25.00 H new ATOM 0 HA ASP A 30 4.258 7.156 10.079 1.00 25.00 H new ATOM 0 HB2 ASP A 30 2.999 7.538 12.821 1.00 25.00 H new ATOM 0 HB3 ASP A 30 4.519 6.692 12.605 1.00 25.00 H new ATOM 526 N LEU A 31 1.814 5.256 11.144 1.00 25.00 N ATOM 527 CA LEU A 31 1.363 3.872 11.192 1.00 25.00 C ATOM 528 C LEU A 31 1.452 3.278 9.793 1.00 25.00 C ATOM 529 O LEU A 31 2.100 2.254 9.570 1.00 25.00 O ATOM 530 CB LEU A 31 -0.077 3.797 11.733 1.00 25.00 C ATOM 531 CG LEU A 31 -0.737 2.417 11.952 1.00 25.00 C ATOM 532 CD1 LEU A 31 -1.498 1.964 10.709 1.00 25.00 C ATOM 533 CD2 LEU A 31 0.250 1.337 12.362 1.00 25.00 C ATOM 0 H LEU A 31 1.104 5.945 11.392 1.00 25.00 H new ATOM 0 HA LEU A 31 1.999 3.298 11.866 1.00 25.00 H new ATOM 0 HB2 LEU A 31 -0.095 4.323 12.688 1.00 25.00 H new ATOM 0 HB3 LEU A 31 -0.713 4.358 11.048 1.00 25.00 H new ATOM 0 HG LEU A 31 -1.434 2.555 12.779 1.00 25.00 H new ATOM 0 HD11 LEU A 31 -1.951 0.990 10.894 1.00 25.00 H new ATOM 0 HD12 LEU A 31 -2.278 2.689 10.476 1.00 25.00 H new ATOM 0 HD13 LEU A 31 -0.809 1.889 9.868 1.00 25.00 H new ATOM 0 HD21 LEU A 31 -0.279 0.394 12.499 1.00 25.00 H new ATOM 0 HD22 LEU A 31 1.005 1.220 11.584 1.00 25.00 H new ATOM 0 HD23 LEU A 31 0.733 1.621 13.297 1.00 25.00 H new ATOM 545 N LEU A 32 0.841 3.955 8.838 1.00 25.00 N ATOM 546 CA LEU A 32 0.889 3.490 7.450 1.00 25.00 C ATOM 547 C LEU A 32 2.286 3.547 6.834 1.00 25.00 C ATOM 548 O LEU A 32 2.569 2.818 5.896 1.00 25.00 O ATOM 549 CB LEU A 32 -0.075 4.281 6.562 1.00 25.00 C ATOM 550 CG LEU A 32 -1.567 3.895 6.583 1.00 25.00 C ATOM 551 CD1 LEU A 32 -1.826 2.390 6.538 1.00 25.00 C ATOM 552 CD2 LEU A 32 -2.235 4.483 7.772 1.00 25.00 C ATOM 0 H LEU A 32 0.312 4.815 8.986 1.00 25.00 H new ATOM 0 HA LEU A 32 0.587 2.444 7.493 1.00 25.00 H new ATOM 0 HB2 LEU A 32 0.001 5.332 6.841 1.00 25.00 H new ATOM 0 HB3 LEU A 32 0.276 4.198 5.533 1.00 25.00 H new ATOM 0 HG LEU A 32 -1.989 4.305 5.666 1.00 25.00 H new ATOM 0 HD11 LEU A 32 -2.900 2.205 6.556 1.00 25.00 H new ATOM 0 HD12 LEU A 32 -1.402 1.975 5.624 1.00 25.00 H new ATOM 0 HD13 LEU A 32 -1.361 1.915 7.402 1.00 25.00 H new ATOM 0 HD21 LEU A 32 -3.288 4.202 7.774 1.00 25.00 H new ATOM 0 HD22 LEU A 32 -1.758 4.110 8.679 1.00 25.00 H new ATOM 0 HD23 LEU A 32 -2.149 5.569 7.738 1.00 25.00 H new ATOM 564 N LYS A 33 3.187 4.357 7.366 1.00 25.00 N ATOM 565 CA LYS A 33 4.564 4.370 6.848 1.00 25.00 C ATOM 566 C LYS A 33 5.243 3.025 7.109 1.00 25.00 C ATOM 567 O LYS A 33 6.040 2.560 6.303 1.00 25.00 O ATOM 568 CB LYS A 33 5.361 5.552 7.426 1.00 25.00 C ATOM 569 CG LYS A 33 6.447 5.220 8.452 1.00 25.00 C ATOM 570 CD LYS A 33 7.004 6.509 9.044 1.00 25.00 C ATOM 571 CE LYS A 33 7.832 6.239 10.286 1.00 25.00 C ATOM 572 NZ LYS A 33 8.206 7.528 10.963 1.00 25.00 N ATOM 0 H LYS A 33 3.007 5.002 8.136 1.00 25.00 H new ATOM 0 HA LYS A 33 4.532 4.514 5.768 1.00 25.00 H new ATOM 0 HB2 LYS A 33 5.829 6.083 6.597 1.00 25.00 H new ATOM 0 HB3 LYS A 33 4.656 6.242 7.890 1.00 25.00 H new ATOM 0 HG2 LYS A 33 6.035 4.593 9.243 1.00 25.00 H new ATOM 0 HG3 LYS A 33 7.247 4.650 7.978 1.00 25.00 H new ATOM 0 HD2 LYS A 33 7.618 7.017 8.300 1.00 25.00 H new ATOM 0 HD3 LYS A 33 6.183 7.181 9.292 1.00 25.00 H new ATOM 0 HE2 LYS A 33 7.269 5.610 10.975 1.00 25.00 H new ATOM 0 HE3 LYS A 33 8.733 5.689 10.016 1.00 25.00 H new ATOM 0 HZ1 LYS A 33 8.828 7.328 11.772 1.00 25.00 H new ATOM 0 HZ2 LYS A 33 8.703 8.143 10.288 1.00 25.00 H new ATOM 0 HZ3 LYS A 33 7.346 8.006 11.299 1.00 25.00 H new ATOM 586 N PHE A 34 4.866 2.360 8.190 1.00 25.00 N ATOM 587 CA PHE A 34 5.397 1.033 8.480 1.00 25.00 C ATOM 588 C PHE A 34 4.686 -0.035 7.657 1.00 25.00 C ATOM 589 O PHE A 34 5.260 -1.076 7.362 1.00 25.00 O ATOM 590 CB PHE A 34 5.294 0.744 9.975 1.00 25.00 C ATOM 591 CG PHE A 34 6.358 1.443 10.776 1.00 25.00 C ATOM 592 CD1 PHE A 34 7.680 0.959 10.779 1.00 25.00 C ATOM 593 CD2 PHE A 34 6.056 2.600 11.508 1.00 25.00 C ATOM 594 CE1 PHE A 34 8.694 1.631 11.505 1.00 25.00 C ATOM 595 CE2 PHE A 34 7.059 3.281 12.234 1.00 25.00 C ATOM 596 CZ PHE A 34 8.379 2.795 12.233 1.00 25.00 C ATOM 0 H PHE A 34 4.200 2.712 8.877 1.00 25.00 H new ATOM 0 HA PHE A 34 6.450 1.010 8.198 1.00 25.00 H new ATOM 0 HB2 PHE A 34 4.313 1.054 10.334 1.00 25.00 H new ATOM 0 HB3 PHE A 34 5.369 -0.331 10.139 1.00 25.00 H new ATOM 0 HD1 PHE A 34 7.924 0.066 10.222 1.00 25.00 H new ATOM 0 HD2 PHE A 34 5.043 2.976 11.517 1.00 25.00 H new ATOM 0 HE1 PHE A 34 9.705 1.252 11.500 1.00 25.00 H new ATOM 0 HE2 PHE A 34 6.812 4.174 12.789 1.00 25.00 H new ATOM 0 HZ PHE A 34 9.148 3.312 12.788 1.00 25.00 H new ATOM 606 N PHE A 35 3.467 0.247 7.222 1.00 25.00 N ATOM 607 CA PHE A 35 2.746 -0.679 6.342 1.00 25.00 C ATOM 608 C PHE A 35 3.394 -0.603 4.955 1.00 25.00 C ATOM 609 O PHE A 35 3.438 -1.579 4.228 1.00 25.00 O ATOM 610 CB PHE A 35 1.257 -0.314 6.233 1.00 25.00 C ATOM 611 CG PHE A 35 0.419 -0.674 7.453 1.00 25.00 C ATOM 612 CD1 PHE A 35 0.970 -0.783 8.754 1.00 25.00 C ATOM 613 CD2 PHE A 35 -0.965 -0.886 7.296 1.00 25.00 C ATOM 614 CE1 PHE A 35 0.154 -1.107 9.856 1.00 25.00 C ATOM 615 CE2 PHE A 35 -1.782 -1.208 8.408 1.00 25.00 C ATOM 616 CZ PHE A 35 -1.218 -1.325 9.680 1.00 25.00 C ATOM 0 H PHE A 35 2.956 1.098 7.457 1.00 25.00 H new ATOM 0 HA PHE A 35 2.806 -1.686 6.754 1.00 25.00 H new ATOM 0 HB2 PHE A 35 1.172 0.758 6.055 1.00 25.00 H new ATOM 0 HB3 PHE A 35 0.838 -0.816 5.361 1.00 25.00 H new ATOM 0 HD1 PHE A 35 2.027 -0.616 8.902 1.00 25.00 H new ATOM 0 HD2 PHE A 35 -1.409 -0.802 6.315 1.00 25.00 H new ATOM 0 HE1 PHE A 35 0.589 -1.188 10.841 1.00 25.00 H new ATOM 0 HE2 PHE A 35 -2.842 -1.363 8.272 1.00 25.00 H new ATOM 0 HZ PHE A 35 -1.838 -1.583 10.526 1.00 25.00 H new ATOM 626 N ASP A 36 3.928 0.558 4.607 1.00 25.00 N ATOM 627 CA ASP A 36 4.617 0.735 3.325 1.00 25.00 C ATOM 628 C ASP A 36 5.967 0.020 3.344 1.00 25.00 C ATOM 629 O ASP A 36 6.408 -0.539 2.341 1.00 25.00 O ATOM 630 CB ASP A 36 4.826 2.224 3.047 1.00 25.00 C ATOM 631 CG ASP A 36 4.522 2.588 1.612 1.00 25.00 C ATOM 632 OD1 ASP A 36 3.331 2.834 1.322 1.00 25.00 O ATOM 633 OD2 ASP A 36 5.444 2.643 0.782 1.00 25.00 O ATOM 0 H ASP A 36 3.901 1.395 5.190 1.00 25.00 H new ATOM 0 HA ASP A 36 4.001 0.304 2.536 1.00 25.00 H new ATOM 0 HB2 ASP A 36 4.188 2.808 3.711 1.00 25.00 H new ATOM 0 HB3 ASP A 36 5.857 2.493 3.277 1.00 25.00 H new ATOM 638 N PHE A 37 6.589 -0.014 4.516 1.00 25.00 N ATOM 639 CA PHE A 37 7.871 -0.694 4.702 1.00 25.00 C ATOM 640 C PHE A 37 7.737 -2.203 4.470 1.00 25.00 C ATOM 641 O PHE A 37 8.692 -2.863 4.053 1.00 25.00 O ATOM 642 CB PHE A 37 8.405 -0.413 6.113 1.00 25.00 C ATOM 643 CG PHE A 37 9.825 -0.867 6.329 1.00 25.00 C ATOM 644 CD1 PHE A 37 10.898 -0.158 5.753 1.00 25.00 C ATOM 645 CD2 PHE A 37 10.103 -1.998 7.118 1.00 25.00 C ATOM 646 CE1 PHE A 37 12.239 -0.579 5.956 1.00 25.00 C ATOM 647 CE2 PHE A 37 11.439 -2.429 7.329 1.00 25.00 C ATOM 648 CZ PHE A 37 12.507 -1.718 6.742 1.00 25.00 C ATOM 0 H PHE A 37 6.224 0.425 5.361 1.00 25.00 H new ATOM 0 HA PHE A 37 8.577 -0.308 3.967 1.00 25.00 H new ATOM 0 HB2 PHE A 37 8.342 0.658 6.308 1.00 25.00 H new ATOM 0 HB3 PHE A 37 7.761 -0.908 6.840 1.00 25.00 H new ATOM 0 HD1 PHE A 37 10.698 0.716 5.150 1.00 25.00 H new ATOM 0 HD2 PHE A 37 9.289 -2.546 7.569 1.00 25.00 H new ATOM 0 HE1 PHE A 37 13.053 -0.027 5.509 1.00 25.00 H new ATOM 0 HE2 PHE A 37 11.637 -3.299 7.937 1.00 25.00 H new ATOM 0 HZ PHE A 37 13.525 -2.045 6.894 1.00 25.00 H new ATOM 658 N VAL A 38 6.534 -2.735 4.662 1.00 25.00 N ATOM 659 CA VAL A 38 6.270 -4.143 4.353 1.00 25.00 C ATOM 660 C VAL A 38 6.513 -4.358 2.892 1.00 25.00 C ATOM 661 O VAL A 38 7.128 -5.328 2.497 1.00 25.00 O ATOM 662 CB VAL A 38 4.779 -4.550 4.577 1.00 25.00 C ATOM 663 CG1 VAL A 38 4.521 -6.024 4.169 1.00 25.00 C ATOM 664 CG2 VAL A 38 4.393 -4.342 5.988 1.00 25.00 C ATOM 0 H VAL A 38 5.731 -2.222 5.026 1.00 25.00 H new ATOM 0 HA VAL A 38 6.915 -4.729 5.008 1.00 25.00 H new ATOM 0 HB VAL A 38 4.167 -3.912 3.940 1.00 25.00 H new ATOM 0 HG11 VAL A 38 3.473 -6.270 4.339 1.00 25.00 H new ATOM 0 HG12 VAL A 38 4.758 -6.156 3.113 1.00 25.00 H new ATOM 0 HG13 VAL A 38 5.150 -6.683 4.767 1.00 25.00 H new ATOM 0 HG21 VAL A 38 3.351 -4.631 6.127 1.00 25.00 H new ATOM 0 HG22 VAL A 38 5.027 -4.951 6.632 1.00 25.00 H new ATOM 0 HG23 VAL A 38 4.516 -3.291 6.248 1.00 25.00 H new ATOM 674 N LYS A 39 5.967 -3.473 2.078 1.00 25.00 N ATOM 675 CA LYS A 39 5.943 -3.717 0.657 1.00 25.00 C ATOM 676 C LYS A 39 7.338 -3.697 0.053 1.00 25.00 C ATOM 677 O LYS A 39 7.667 -4.516 -0.789 1.00 25.00 O ATOM 678 CB LYS A 39 5.087 -2.667 -0.048 1.00 25.00 C ATOM 679 CG LYS A 39 4.758 -3.025 -1.503 1.00 25.00 C ATOM 680 CD LYS A 39 4.304 -1.811 -2.327 1.00 25.00 C ATOM 681 CE LYS A 39 5.444 -0.802 -2.546 1.00 25.00 C ATOM 682 NZ LYS A 39 6.638 -1.439 -3.210 1.00 25.00 N ATOM 0 H LYS A 39 5.542 -2.594 2.375 1.00 25.00 H new ATOM 0 HA LYS A 39 5.517 -4.710 0.513 1.00 25.00 H new ATOM 0 HB2 LYS A 39 4.157 -2.536 0.505 1.00 25.00 H new ATOM 0 HB3 LYS A 39 5.608 -1.710 -0.026 1.00 25.00 H new ATOM 0 HG2 LYS A 39 5.637 -3.468 -1.971 1.00 25.00 H new ATOM 0 HG3 LYS A 39 3.974 -3.782 -1.518 1.00 25.00 H new ATOM 0 HD2 LYS A 39 3.929 -2.149 -3.293 1.00 25.00 H new ATOM 0 HD3 LYS A 39 3.476 -1.317 -1.818 1.00 25.00 H new ATOM 0 HE2 LYS A 39 5.085 0.024 -3.160 1.00 25.00 H new ATOM 0 HE3 LYS A 39 5.744 -0.380 -1.587 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 7.442 -1.442 -2.550 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 6.406 -2.417 -3.478 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 6.892 -0.898 -4.061 1.00 25.00 H new ATOM 696 N ASP A 40 8.143 -2.728 0.455 1.00 25.00 N ATOM 697 CA ASP A 40 9.476 -2.565 -0.131 1.00 25.00 C ATOM 698 C ASP A 40 10.452 -3.653 0.338 1.00 25.00 C ATOM 699 O ASP A 40 11.430 -3.933 -0.345 1.00 25.00 O ATOM 700 CB ASP A 40 10.043 -1.165 0.169 1.00 25.00 C ATOM 701 CG ASP A 40 9.764 -0.154 -0.965 1.00 25.00 C ATOM 702 OD1 ASP A 40 8.793 -0.349 -1.742 1.00 25.00 O ATOM 703 OD2 ASP A 40 10.535 0.825 -1.098 1.00 25.00 O ATOM 0 H ASP A 40 7.907 -2.046 1.176 1.00 25.00 H new ATOM 0 HA ASP A 40 9.363 -2.672 -1.210 1.00 25.00 H new ATOM 0 HB2 ASP A 40 9.609 -0.793 1.097 1.00 25.00 H new ATOM 0 HB3 ASP A 40 11.119 -1.239 0.328 1.00 25.00 H new ATOM 708 N THR A 41 10.173 -4.291 1.471 1.00 25.00 N ATOM 709 CA THR A 41 11.022 -5.396 1.953 1.00 25.00 C ATOM 710 C THR A 41 10.462 -6.759 1.522 1.00 25.00 C ATOM 711 O THR A 41 11.202 -7.702 1.258 1.00 25.00 O ATOM 712 CB THR A 41 11.152 -5.380 3.500 1.00 25.00 C ATOM 713 OG1 THR A 41 11.278 -4.029 3.955 1.00 25.00 O ATOM 714 CG2 THR A 41 12.391 -6.141 3.952 1.00 25.00 C ATOM 0 H THR A 41 9.378 -4.072 2.072 1.00 25.00 H new ATOM 0 HA THR A 41 12.006 -5.249 1.507 1.00 25.00 H new ATOM 0 HB THR A 41 10.262 -5.852 3.915 1.00 25.00 H new ATOM 0 HG1 THR A 41 10.392 -3.612 3.992 1.00 25.00 H new ATOM 0 HG21 THR A 41 12.458 -6.114 5.040 1.00 25.00 H new ATOM 0 HG22 THR A 41 12.324 -7.176 3.618 1.00 25.00 H new ATOM 0 HG23 THR A 41 13.279 -5.678 3.522 1.00 25.00 H new ATOM 722 N CYS A 42 9.143 -6.849 1.444 1.00 25.00 N ATOM 723 CA CYS A 42 8.440 -8.069 1.051 1.00 25.00 C ATOM 724 C CYS A 42 7.483 -7.769 -0.100 1.00 25.00 C ATOM 725 O CYS A 42 6.268 -7.679 0.109 1.00 25.00 O ATOM 726 CB CYS A 42 7.624 -8.602 2.231 1.00 25.00 C ATOM 727 SG CYS A 42 8.624 -9.085 3.628 1.00 25.00 S ATOM 0 H CYS A 42 8.520 -6.069 1.654 1.00 25.00 H new ATOM 0 HA CYS A 42 9.177 -8.810 0.741 1.00 25.00 H new ATOM 0 HB2 CYS A 42 6.916 -7.836 2.548 1.00 25.00 H new ATOM 0 HB3 CYS A 42 7.038 -9.460 1.900 1.00 25.00 H new ATOM 0 HG CYS A 42 8.434 -10.346 3.883 1.00 25.00 H new ATOM 733 N PRO A 43 7.999 -7.641 -1.334 1.00 25.00 N ATOM 734 CA PRO A 43 7.080 -7.311 -2.431 1.00 25.00 C ATOM 735 C PRO A 43 6.145 -8.463 -2.761 1.00 25.00 C ATOM 736 O PRO A 43 5.078 -8.270 -3.327 1.00 25.00 O ATOM 737 CB PRO A 43 8.028 -6.995 -3.589 1.00 25.00 C ATOM 738 CG PRO A 43 9.233 -7.826 -3.312 1.00 25.00 C ATOM 739 CD PRO A 43 9.390 -7.775 -1.811 1.00 25.00 C ATOM 0 HA PRO A 43 6.410 -6.486 -2.189 1.00 25.00 H new ATOM 0 HB2 PRO A 43 7.581 -7.249 -4.550 1.00 25.00 H new ATOM 0 HB3 PRO A 43 8.275 -5.934 -3.623 1.00 25.00 H new ATOM 0 HG2 PRO A 43 9.099 -8.849 -3.663 1.00 25.00 H new ATOM 0 HG3 PRO A 43 10.114 -7.429 -3.817 1.00 25.00 H new ATOM 0 HD2 PRO A 43 9.864 -8.677 -1.424 1.00 25.00 H new ATOM 0 HD3 PRO A 43 10.006 -6.932 -1.498 1.00 25.00 H new ATOM 747 N TRP A 44 6.529 -9.663 -2.354 1.00 25.00 N ATOM 748 CA TRP A 44 5.706 -10.843 -2.550 1.00 25.00 C ATOM 749 C TRP A 44 4.522 -10.915 -1.588 1.00 25.00 C ATOM 750 O TRP A 44 3.607 -11.682 -1.816 1.00 25.00 O ATOM 751 CB TRP A 44 6.569 -12.100 -2.391 1.00 25.00 C ATOM 752 CG TRP A 44 7.545 -12.049 -1.222 1.00 25.00 C ATOM 753 CD1 TRP A 44 7.293 -11.683 0.066 1.00 25.00 C ATOM 754 CD2 TRP A 44 8.945 -12.397 -1.245 1.00 25.00 C ATOM 755 NE1 TRP A 44 8.410 -11.761 0.843 1.00 25.00 N ATOM 756 CE2 TRP A 44 9.451 -12.197 0.076 1.00 25.00 C ATOM 757 CE3 TRP A 44 9.823 -12.858 -2.245 1.00 25.00 C ATOM 758 CZ2 TRP A 44 10.797 -12.437 0.412 1.00 25.00 C ATOM 759 CZ3 TRP A 44 11.180 -13.107 -1.909 1.00 25.00 C ATOM 760 CH2 TRP A 44 11.650 -12.891 -0.579 1.00 25.00 C ATOM 0 H TRP A 44 7.415 -9.844 -1.882 1.00 25.00 H new ATOM 0 HA TRP A 44 5.295 -10.780 -3.557 1.00 25.00 H new ATOM 0 HB2 TRP A 44 5.914 -12.962 -2.265 1.00 25.00 H new ATOM 0 HB3 TRP A 44 7.131 -12.259 -3.311 1.00 25.00 H new ATOM 0 HD1 TRP A 44 6.325 -11.369 0.428 1.00 25.00 H new ATOM 0 HE1 TRP A 44 8.460 -11.531 1.836 1.00 25.00 H new ATOM 0 HE3 TRP A 44 9.469 -13.020 -3.253 1.00 25.00 H new ATOM 0 HZ2 TRP A 44 11.155 -12.271 1.417 1.00 25.00 H new ATOM 0 HZ3 TRP A 44 11.862 -13.463 -2.667 1.00 25.00 H new ATOM 0 HH2 TRP A 44 12.686 -13.084 -0.342 1.00 25.00 H new ATOM 771 N PHE A 45 4.528 -10.146 -0.503 1.00 25.00 N ATOM 772 CA PHE A 45 3.438 -10.245 0.474 1.00 25.00 C ATOM 773 C PHE A 45 2.100 -9.717 -0.063 1.00 25.00 C ATOM 774 O PHE A 45 1.100 -10.430 0.001 1.00 25.00 O ATOM 775 CB PHE A 45 3.785 -9.551 1.796 1.00 25.00 C ATOM 776 CG PHE A 45 2.690 -9.664 2.825 1.00 25.00 C ATOM 777 CD1 PHE A 45 2.520 -10.852 3.563 1.00 25.00 C ATOM 778 CD2 PHE A 45 1.798 -8.594 3.037 1.00 25.00 C ATOM 779 CE1 PHE A 45 1.465 -10.976 4.504 1.00 25.00 C ATOM 780 CE2 PHE A 45 0.740 -8.710 3.972 1.00 25.00 C ATOM 781 CZ PHE A 45 0.573 -9.901 4.703 1.00 25.00 C ATOM 0 H PHE A 45 5.252 -9.464 -0.277 1.00 25.00 H new ATOM 0 HA PHE A 45 3.317 -11.312 0.663 1.00 25.00 H new ATOM 0 HB2 PHE A 45 4.700 -9.985 2.198 1.00 25.00 H new ATOM 0 HB3 PHE A 45 3.989 -8.497 1.604 1.00 25.00 H new ATOM 0 HD1 PHE A 45 3.200 -11.677 3.411 1.00 25.00 H new ATOM 0 HD2 PHE A 45 1.922 -7.676 2.481 1.00 25.00 H new ATOM 0 HE1 PHE A 45 1.345 -11.890 5.066 1.00 25.00 H new ATOM 0 HE2 PHE A 45 0.061 -7.884 4.124 1.00 25.00 H new ATOM 0 HZ PHE A 45 -0.235 -9.992 5.414 1.00 25.00 H new ATOM 791 N PRO A 46 2.055 -8.486 -0.628 1.00 25.00 N ATOM 792 CA PRO A 46 0.725 -8.134 -1.142 1.00 25.00 C ATOM 793 C PRO A 46 0.292 -8.979 -2.341 1.00 25.00 C ATOM 794 O PRO A 46 -0.894 -9.115 -2.609 1.00 25.00 O ATOM 795 CB PRO A 46 0.890 -6.662 -1.534 1.00 25.00 C ATOM 796 CG PRO A 46 2.315 -6.533 -1.878 1.00 25.00 C ATOM 797 CD PRO A 46 3.010 -7.379 -0.850 1.00 25.00 C ATOM 0 HA PRO A 46 -0.056 -8.314 -0.404 1.00 25.00 H new ATOM 0 HB2 PRO A 46 0.252 -6.402 -2.379 1.00 25.00 H new ATOM 0 HB3 PRO A 46 0.618 -5.999 -0.713 1.00 25.00 H new ATOM 0 HG2 PRO A 46 2.516 -6.887 -2.889 1.00 25.00 H new ATOM 0 HG3 PRO A 46 2.645 -5.495 -1.832 1.00 25.00 H new ATOM 0 HD2 PRO A 46 3.972 -7.743 -1.210 1.00 25.00 H new ATOM 0 HD3 PRO A 46 3.203 -6.822 0.067 1.00 25.00 H new ATOM 805 N GLN A 47 1.254 -9.587 -3.024 1.00 25.00 N ATOM 806 CA GLN A 47 0.970 -10.442 -4.174 1.00 25.00 C ATOM 807 C GLN A 47 0.290 -11.753 -3.759 1.00 25.00 C ATOM 808 O GLN A 47 -0.278 -12.445 -4.593 1.00 25.00 O ATOM 809 CB GLN A 47 2.266 -10.740 -4.938 1.00 25.00 C ATOM 810 CG GLN A 47 2.916 -9.492 -5.548 1.00 25.00 C ATOM 811 CD GLN A 47 4.296 -9.770 -6.123 1.00 25.00 C ATOM 812 OE1 GLN A 47 4.701 -10.911 -6.280 1.00 25.00 O ATOM 813 NE2 GLN A 47 5.022 -8.727 -6.427 1.00 25.00 N ATOM 0 H GLN A 47 2.246 -9.504 -2.800 1.00 25.00 H new ATOM 0 HA GLN A 47 0.279 -9.904 -4.823 1.00 25.00 H new ATOM 0 HB2 GLN A 47 2.976 -11.216 -4.262 1.00 25.00 H new ATOM 0 HB3 GLN A 47 2.054 -11.455 -5.733 1.00 25.00 H new ATOM 0 HG2 GLN A 47 2.272 -9.100 -6.335 1.00 25.00 H new ATOM 0 HG3 GLN A 47 2.994 -8.718 -4.784 1.00 25.00 H new ATOM 0 HE21 GLN A 47 4.651 -7.788 -6.282 1.00 25.00 H new ATOM 0 HE22 GLN A 47 5.960 -8.852 -6.809 1.00 25.00 H new ATOM 822 N GLU A 48 0.337 -12.095 -2.475 1.00 25.00 N ATOM 823 CA GLU A 48 -0.347 -13.300 -1.995 1.00 25.00 C ATOM 824 C GLU A 48 -1.853 -13.052 -1.887 1.00 25.00 C ATOM 825 O GLU A 48 -2.641 -13.997 -1.841 1.00 25.00 O ATOM 826 CB GLU A 48 0.182 -13.739 -0.622 1.00 25.00 C ATOM 827 CG GLU A 48 1.645 -14.158 -0.632 1.00 25.00 C ATOM 828 CD GLU A 48 1.997 -15.083 0.522 1.00 25.00 C ATOM 829 OE1 GLU A 48 1.934 -14.671 1.696 1.00 25.00 O ATOM 830 OE2 GLU A 48 2.307 -16.263 0.256 1.00 25.00 O ATOM 0 H GLU A 48 0.832 -11.568 -1.756 1.00 25.00 H new ATOM 0 HA GLU A 48 -0.150 -14.092 -2.718 1.00 25.00 H new ATOM 0 HB2 GLU A 48 0.053 -12.920 0.085 1.00 25.00 H new ATOM 0 HB3 GLU A 48 -0.422 -14.571 -0.259 1.00 25.00 H new ATOM 0 HG2 GLU A 48 1.869 -14.658 -1.574 1.00 25.00 H new ATOM 0 HG3 GLU A 48 2.274 -13.269 -0.585 1.00 25.00 H new ATOM 837 N GLY A 49 -2.240 -11.781 -1.810 1.00 25.00 N ATOM 838 CA GLY A 49 -3.647 -11.405 -1.716 1.00 25.00 C ATOM 839 C GLY A 49 -4.372 -11.959 -0.500 1.00 25.00 C ATOM 840 O GLY A 49 -5.596 -12.018 -0.482 1.00 25.00 O ATOM 0 H GLY A 49 -1.595 -10.991 -1.811 1.00 25.00 H new ATOM 0 HA2 GLY A 49 -3.718 -10.317 -1.700 1.00 25.00 H new ATOM 0 HA3 GLY A 49 -4.161 -11.745 -2.615 1.00 25.00 H new ATOM 844 N THR A 50 -3.617 -12.417 0.489 1.00 25.00 N ATOM 845 CA THR A 50 -4.184 -13.075 1.664 1.00 25.00 C ATOM 846 C THR A 50 -3.440 -12.605 2.905 1.00 25.00 C ATOM 847 O THR A 50 -2.210 -12.544 2.906 1.00 25.00 O ATOM 848 CB THR A 50 -4.023 -14.605 1.551 1.00 25.00 C ATOM 849 OG1 THR A 50 -4.501 -15.055 0.281 1.00 25.00 O ATOM 850 CG2 THR A 50 -4.803 -15.333 2.639 1.00 25.00 C ATOM 0 H THR A 50 -2.600 -12.345 0.503 1.00 25.00 H new ATOM 0 HA THR A 50 -5.243 -12.824 1.731 1.00 25.00 H new ATOM 0 HB THR A 50 -2.962 -14.828 1.664 1.00 25.00 H new ATOM 0 HG1 THR A 50 -3.885 -14.762 -0.423 1.00 25.00 H new ATOM 0 HG21 THR A 50 -4.666 -16.409 2.527 1.00 25.00 H new ATOM 0 HG22 THR A 50 -4.440 -15.020 3.618 1.00 25.00 H new ATOM 0 HG23 THR A 50 -5.862 -15.091 2.551 1.00 25.00 H new ATOM 858 N ILE A 51 -4.175 -12.263 3.952 1.00 25.00 N ATOM 859 CA ILE A 51 -3.593 -11.718 5.175 1.00 25.00 C ATOM 860 C ILE A 51 -4.054 -12.545 6.372 1.00 25.00 C ATOM 861 O ILE A 51 -5.154 -12.404 6.892 1.00 25.00 O ATOM 862 CB ILE A 51 -3.953 -10.208 5.317 1.00 25.00 C ATOM 863 CG1 ILE A 51 -3.303 -9.436 4.148 1.00 25.00 C ATOM 864 CG2 ILE A 51 -3.480 -9.610 6.669 1.00 25.00 C ATOM 865 CD1 ILE A 51 -3.592 -7.974 4.124 1.00 25.00 C ATOM 0 H ILE A 51 -5.191 -12.354 3.981 1.00 25.00 H new ATOM 0 HA ILE A 51 -2.506 -11.780 5.131 1.00 25.00 H new ATOM 0 HB ILE A 51 -5.039 -10.113 5.291 1.00 25.00 H new ATOM 0 HG12 ILE A 51 -2.223 -9.577 4.194 1.00 25.00 H new ATOM 0 HG13 ILE A 51 -3.642 -9.874 3.209 1.00 25.00 H new ATOM 0 HG21 ILE A 51 -3.755 -8.556 6.717 1.00 25.00 H new ATOM 0 HG22 ILE A 51 -3.955 -10.147 7.490 1.00 25.00 H new ATOM 0 HG23 ILE A 51 -2.397 -9.706 6.750 1.00 25.00 H new ATOM 0 HD11 ILE A 51 -3.093 -7.519 3.268 1.00 25.00 H new ATOM 0 HD12 ILE A 51 -4.668 -7.817 4.043 1.00 25.00 H new ATOM 0 HD13 ILE A 51 -3.227 -7.516 5.043 1.00 25.00 H new ATOM 877 N ASP A 52 -3.162 -13.417 6.807 1.00 25.00 N ATOM 878 CA ASP A 52 -3.377 -14.256 7.978 1.00 25.00 C ATOM 879 C ASP A 52 -2.051 -14.251 8.703 1.00 25.00 C ATOM 880 O ASP A 52 -1.016 -13.945 8.107 1.00 25.00 O ATOM 881 CB ASP A 52 -3.782 -15.674 7.579 1.00 25.00 C ATOM 882 CG ASP A 52 -3.430 -16.699 8.631 1.00 25.00 C ATOM 883 OD1 ASP A 52 -4.038 -16.710 9.719 1.00 25.00 O ATOM 884 OD2 ASP A 52 -2.465 -17.449 8.412 1.00 25.00 O ATOM 0 H ASP A 52 -2.260 -13.566 6.355 1.00 25.00 H new ATOM 0 HA ASP A 52 -4.188 -13.883 8.603 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -4.856 -15.702 7.395 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -3.291 -15.938 6.642 1.00 25.00 H new ATOM 889 N ILE A 53 -2.074 -14.548 9.988 1.00 25.00 N ATOM 890 CA ILE A 53 -0.894 -14.434 10.817 1.00 25.00 C ATOM 891 C ILE A 53 0.254 -15.319 10.358 1.00 25.00 C ATOM 892 O ILE A 53 1.406 -14.964 10.535 1.00 25.00 O ATOM 893 CB ILE A 53 -1.264 -14.728 12.297 1.00 25.00 C ATOM 894 CG1 ILE A 53 -0.171 -14.229 13.266 1.00 25.00 C ATOM 895 CG2 ILE A 53 -1.462 -16.233 12.556 1.00 25.00 C ATOM 896 CD1 ILE A 53 0.163 -12.766 13.162 1.00 25.00 C ATOM 0 H ILE A 53 -2.905 -14.873 10.482 1.00 25.00 H new ATOM 0 HA ILE A 53 -0.534 -13.409 10.723 1.00 25.00 H new ATOM 0 HB ILE A 53 -2.199 -14.197 12.476 1.00 25.00 H new ATOM 0 HG12 ILE A 53 -0.490 -14.440 14.287 1.00 25.00 H new ATOM 0 HG13 ILE A 53 0.737 -14.805 13.090 1.00 25.00 H new ATOM 0 HG21 ILE A 53 -1.719 -16.391 13.603 1.00 25.00 H new ATOM 0 HG22 ILE A 53 -2.267 -16.608 11.924 1.00 25.00 H new ATOM 0 HG23 ILE A 53 -0.540 -16.766 12.324 1.00 25.00 H new ATOM 0 HD11 ILE A 53 0.941 -12.518 13.884 1.00 25.00 H new ATOM 0 HD12 ILE A 53 0.518 -12.545 12.156 1.00 25.00 H new ATOM 0 HD13 ILE A 53 -0.728 -12.174 13.371 1.00 25.00 H new ATOM 908 N LYS A 54 -0.039 -16.454 9.739 1.00 25.00 N ATOM 909 CA LYS A 54 1.014 -17.384 9.329 1.00 25.00 C ATOM 910 C LYS A 54 1.764 -16.800 8.141 1.00 25.00 C ATOM 911 O LYS A 54 2.965 -16.983 8.004 1.00 25.00 O ATOM 912 CB LYS A 54 0.405 -18.744 8.967 1.00 25.00 C ATOM 913 CG LYS A 54 -0.468 -19.337 10.091 1.00 25.00 C ATOM 914 CD LYS A 54 -1.335 -20.487 9.586 1.00 25.00 C ATOM 915 CE LYS A 54 -2.579 -20.662 10.471 1.00 25.00 C ATOM 916 NZ LYS A 54 -3.610 -19.577 10.224 1.00 25.00 N ATOM 0 H LYS A 54 -0.986 -16.755 9.510 1.00 25.00 H new ATOM 0 HA LYS A 54 1.712 -17.532 10.153 1.00 25.00 H new ATOM 0 HB2 LYS A 54 -0.198 -18.636 8.066 1.00 25.00 H new ATOM 0 HB3 LYS A 54 1.207 -19.443 8.732 1.00 25.00 H new ATOM 0 HG2 LYS A 54 0.171 -19.691 10.900 1.00 25.00 H new ATOM 0 HG3 LYS A 54 -1.105 -18.557 10.507 1.00 25.00 H new ATOM 0 HD2 LYS A 54 -1.639 -20.294 8.557 1.00 25.00 H new ATOM 0 HD3 LYS A 54 -0.755 -21.410 9.579 1.00 25.00 H new ATOM 0 HE2 LYS A 54 -3.026 -21.637 10.279 1.00 25.00 H new ATOM 0 HE3 LYS A 54 -2.283 -20.648 11.520 1.00 25.00 H new ATOM 0 HZ1 LYS A 54 -4.453 -19.761 10.804 1.00 25.00 H new ATOM 0 HZ2 LYS A 54 -3.209 -18.652 10.480 1.00 25.00 H new ATOM 0 HZ3 LYS A 54 -3.875 -19.573 9.218 1.00 25.00 H new ATOM 930 N ARG A 55 1.055 -16.048 7.312 1.00 25.00 N ATOM 931 CA ARG A 55 1.674 -15.375 6.167 1.00 25.00 C ATOM 932 C ARG A 55 2.402 -14.135 6.663 1.00 25.00 C ATOM 933 O ARG A 55 3.485 -13.808 6.203 1.00 25.00 O ATOM 934 CB ARG A 55 0.611 -14.996 5.129 1.00 25.00 C ATOM 935 CG ARG A 55 -0.270 -16.179 4.719 1.00 25.00 C ATOM 936 CD ARG A 55 -1.125 -15.854 3.510 1.00 25.00 C ATOM 937 NE ARG A 55 -0.471 -16.272 2.257 1.00 25.00 N ATOM 938 CZ ARG A 55 -1.002 -17.064 1.328 1.00 25.00 C ATOM 939 NH1 ARG A 55 -2.213 -17.554 1.424 1.00 25.00 N ATOM 940 NH2 ARG A 55 -0.301 -17.374 0.277 1.00 25.00 N ATOM 0 H ARG A 55 0.052 -15.885 7.406 1.00 25.00 H new ATOM 0 HA ARG A 55 2.385 -16.048 5.687 1.00 25.00 H new ATOM 0 HB2 ARG A 55 -0.019 -14.204 5.534 1.00 25.00 H new ATOM 0 HB3 ARG A 55 1.102 -14.592 4.244 1.00 25.00 H new ATOM 0 HG2 ARG A 55 0.359 -17.041 4.498 1.00 25.00 H new ATOM 0 HG3 ARG A 55 -0.913 -16.460 5.553 1.00 25.00 H new ATOM 0 HD2 ARG A 55 -2.090 -16.352 3.601 1.00 25.00 H new ATOM 0 HD3 ARG A 55 -1.321 -14.782 3.479 1.00 25.00 H new ATOM 0 HE ARG A 55 0.472 -15.923 2.087 1.00 25.00 H new ATOM 0 HH11 ARG A 55 -2.790 -17.332 2.235 1.00 25.00 H new ATOM 0 HH12 ARG A 55 -2.579 -18.157 0.687 1.00 25.00 H new ATOM 0 HH21 ARG A 55 0.646 -17.011 0.171 1.00 25.00 H new ATOM 0 HH22 ARG A 55 -0.699 -17.980 -0.441 1.00 25.00 H new ATOM 954 N TRP A 56 1.819 -13.486 7.659 1.00 25.00 N ATOM 955 CA TRP A 56 2.412 -12.303 8.281 1.00 25.00 C ATOM 956 C TRP A 56 3.748 -12.611 8.959 1.00 25.00 C ATOM 957 O TRP A 56 4.611 -11.737 9.047 1.00 25.00 O ATOM 958 CB TRP A 56 1.434 -11.724 9.304 1.00 25.00 C ATOM 959 CG TRP A 56 1.863 -10.402 9.869 1.00 25.00 C ATOM 960 CD1 TRP A 56 2.145 -10.114 11.164 1.00 25.00 C ATOM 961 CD2 TRP A 56 2.074 -9.170 9.151 1.00 25.00 C ATOM 962 NE1 TRP A 56 2.504 -8.808 11.323 1.00 25.00 N ATOM 963 CE2 TRP A 56 2.480 -8.192 10.105 1.00 25.00 C ATOM 964 CE3 TRP A 56 1.974 -8.795 7.798 1.00 25.00 C ATOM 965 CZ2 TRP A 56 2.793 -6.870 9.742 1.00 25.00 C ATOM 966 CZ3 TRP A 56 2.288 -7.465 7.428 1.00 25.00 C ATOM 967 CH2 TRP A 56 2.690 -6.514 8.412 1.00 25.00 C ATOM 0 H TRP A 56 0.923 -13.761 8.061 1.00 25.00 H new ATOM 0 HA TRP A 56 2.609 -11.577 7.492 1.00 25.00 H new ATOM 0 HB2 TRP A 56 0.457 -11.608 8.834 1.00 25.00 H new ATOM 0 HB3 TRP A 56 1.313 -12.436 10.121 1.00 25.00 H new ATOM 0 HD1 TRP A 56 2.092 -10.831 11.970 1.00 25.00 H new ATOM 0 HE1 TRP A 56 2.750 -8.364 12.208 1.00 25.00 H new ATOM 0 HE3 TRP A 56 1.662 -9.512 7.053 1.00 25.00 H new ATOM 0 HZ2 TRP A 56 3.106 -6.151 10.485 1.00 25.00 H new ATOM 0 HZ3 TRP A 56 2.223 -7.168 6.392 1.00 25.00 H new ATOM 0 HH2 TRP A 56 2.917 -5.501 8.113 1.00 25.00 H new ATOM 978 N ARG A 57 3.942 -13.856 9.394 1.00 25.00 N ATOM 979 CA ARG A 57 5.226 -14.262 10.002 1.00 25.00 C ATOM 980 C ARG A 57 6.368 -13.937 9.053 1.00 25.00 C ATOM 981 O ARG A 57 7.354 -13.340 9.459 1.00 25.00 O ATOM 982 CB ARG A 57 5.302 -15.770 10.322 1.00 25.00 C ATOM 983 CG ARG A 57 4.187 -16.361 11.189 1.00 25.00 C ATOM 984 CD ARG A 57 3.879 -15.549 12.440 1.00 25.00 C ATOM 985 NE ARG A 57 3.112 -16.310 13.443 1.00 25.00 N ATOM 986 CZ ARG A 57 3.633 -17.095 14.380 1.00 25.00 C ATOM 987 NH1 ARG A 57 4.925 -17.298 14.490 1.00 25.00 N ATOM 988 NH2 ARG A 57 2.836 -17.679 15.231 1.00 25.00 N ATOM 0 H ARG A 57 3.243 -14.597 9.342 1.00 25.00 H new ATOM 0 HA ARG A 57 5.303 -13.710 10.939 1.00 25.00 H new ATOM 0 HB2 ARG A 57 5.320 -16.315 9.378 1.00 25.00 H new ATOM 0 HB3 ARG A 57 6.253 -15.962 10.819 1.00 25.00 H new ATOM 0 HG2 ARG A 57 3.280 -16.444 10.590 1.00 25.00 H new ATOM 0 HG3 ARG A 57 4.468 -17.372 11.484 1.00 25.00 H new ATOM 0 HD2 ARG A 57 4.814 -15.209 12.886 1.00 25.00 H new ATOM 0 HD3 ARG A 57 3.317 -14.658 12.160 1.00 25.00 H new ATOM 0 HE ARG A 57 2.096 -16.227 13.415 1.00 25.00 H new ATOM 0 HH11 ARG A 57 5.569 -16.845 13.842 1.00 25.00 H new ATOM 0 HH12 ARG A 57 5.285 -17.908 15.224 1.00 25.00 H new ATOM 0 HH21 ARG A 57 1.829 -17.530 15.171 1.00 25.00 H new ATOM 0 HH22 ARG A 57 3.220 -18.285 15.956 1.00 25.00 H new ATOM 1002 N ARG A 58 6.184 -14.276 7.781 1.00 25.00 N ATOM 1003 CA ARG A 58 7.210 -14.075 6.749 1.00 25.00 C ATOM 1004 C ARG A 58 7.732 -12.656 6.690 1.00 25.00 C ATOM 1005 O ARG A 58 8.880 -12.438 6.373 1.00 25.00 O ATOM 1006 CB ARG A 58 6.657 -14.404 5.364 1.00 25.00 C ATOM 1007 CG ARG A 58 6.215 -15.845 5.175 1.00 25.00 C ATOM 1008 CD ARG A 58 5.618 -16.023 3.785 1.00 25.00 C ATOM 1009 NE ARG A 58 6.617 -15.771 2.728 1.00 25.00 N ATOM 1010 CZ ARG A 58 6.346 -15.592 1.440 1.00 25.00 C ATOM 1011 NH1 ARG A 58 5.129 -15.626 0.963 1.00 25.00 N ATOM 1012 NH2 ARG A 58 7.328 -15.366 0.612 1.00 25.00 N ATOM 0 H ARG A 58 5.323 -14.697 7.431 1.00 25.00 H new ATOM 0 HA ARG A 58 8.026 -14.743 7.026 1.00 25.00 H new ATOM 0 HB2 ARG A 58 5.808 -13.750 5.163 1.00 25.00 H new ATOM 0 HB3 ARG A 58 7.420 -14.173 4.620 1.00 25.00 H new ATOM 0 HG2 ARG A 58 7.064 -16.516 5.305 1.00 25.00 H new ATOM 0 HG3 ARG A 58 5.479 -16.112 5.934 1.00 25.00 H new ATOM 0 HD2 ARG A 58 5.227 -17.035 3.683 1.00 25.00 H new ATOM 0 HD3 ARG A 58 4.776 -15.342 3.660 1.00 25.00 H new ATOM 0 HE ARG A 58 7.596 -15.731 3.010 1.00 25.00 H new ATOM 0 HH11 ARG A 58 4.341 -15.795 1.588 1.00 25.00 H new ATOM 0 HH12 ARG A 58 4.968 -15.483 -0.034 1.00 25.00 H new ATOM 0 HH21 ARG A 58 8.287 -15.329 0.957 1.00 25.00 H new ATOM 0 HH22 ARG A 58 7.137 -15.226 -0.380 1.00 25.00 H new ATOM 1026 N VAL A 59 6.873 -11.690 6.961 1.00 25.00 N ATOM 1027 CA VAL A 59 7.256 -10.285 6.873 1.00 25.00 C ATOM 1028 C VAL A 59 8.255 -9.945 7.965 1.00 25.00 C ATOM 1029 O VAL A 59 9.233 -9.237 7.739 1.00 25.00 O ATOM 1030 CB VAL A 59 6.007 -9.378 7.002 1.00 25.00 C ATOM 1031 CG1 VAL A 59 6.380 -7.908 6.899 1.00 25.00 C ATOM 1032 CG2 VAL A 59 5.005 -9.743 5.920 1.00 25.00 C ATOM 0 H VAL A 59 5.906 -11.848 7.244 1.00 25.00 H new ATOM 0 HA VAL A 59 7.719 -10.112 5.901 1.00 25.00 H new ATOM 0 HB VAL A 59 5.561 -9.539 7.984 1.00 25.00 H new ATOM 0 HG11 VAL A 59 5.482 -7.297 6.993 1.00 25.00 H new ATOM 0 HG12 VAL A 59 7.078 -7.653 7.697 1.00 25.00 H new ATOM 0 HG13 VAL A 59 6.848 -7.718 5.933 1.00 25.00 H new ATOM 0 HG21 VAL A 59 4.125 -9.106 6.009 1.00 25.00 H new ATOM 0 HG22 VAL A 59 5.459 -9.599 4.940 1.00 25.00 H new ATOM 0 HG23 VAL A 59 4.710 -10.786 6.034 1.00 25.00 H new ATOM 1042 N GLY A 60 8.020 -10.480 9.149 1.00 25.00 N ATOM 1043 CA GLY A 60 8.901 -10.209 10.262 1.00 25.00 C ATOM 1044 C GLY A 60 10.166 -11.023 10.161 1.00 25.00 C ATOM 1045 O GLY A 60 11.242 -10.549 10.512 1.00 25.00 O ATOM 0 H GLY A 60 7.236 -11.097 9.360 1.00 25.00 H new ATOM 0 HA2 GLY A 60 9.148 -9.148 10.285 1.00 25.00 H new ATOM 0 HA3 GLY A 60 8.391 -10.437 11.198 1.00 25.00 H new ATOM 1049 N ASP A 61 10.041 -12.226 9.624 1.00 25.00 N ATOM 1050 CA ASP A 61 11.192 -13.096 9.394 1.00 25.00 C ATOM 1051 C ASP A 61 12.120 -12.392 8.395 1.00 25.00 C ATOM 1052 O ASP A 61 13.334 -12.368 8.556 1.00 25.00 O ATOM 1053 CB ASP A 61 10.736 -14.453 8.824 1.00 25.00 C ATOM 1054 CG ASP A 61 9.778 -15.204 9.760 1.00 25.00 C ATOM 1055 OD1 ASP A 61 9.864 -15.040 10.998 1.00 25.00 O ATOM 1056 OD2 ASP A 61 8.903 -15.940 9.236 1.00 25.00 O ATOM 0 H ASP A 61 9.149 -12.628 9.336 1.00 25.00 H new ATOM 0 HA ASP A 61 11.713 -13.285 10.333 1.00 25.00 H new ATOM 0 HB2 ASP A 61 10.246 -14.292 7.864 1.00 25.00 H new ATOM 0 HB3 ASP A 61 11.611 -15.074 8.634 1.00 25.00 H new ATOM 1061 N CYS A 62 11.520 -11.751 7.399 1.00 25.00 N ATOM 1062 CA CYS A 62 12.262 -10.996 6.390 1.00 25.00 C ATOM 1063 C CYS A 62 13.015 -9.824 7.006 1.00 25.00 C ATOM 1064 O CYS A 62 14.191 -9.600 6.710 1.00 25.00 O ATOM 1065 CB CYS A 62 11.287 -10.453 5.347 1.00 25.00 C ATOM 1066 SG CYS A 62 12.000 -10.230 3.703 1.00 25.00 S ATOM 0 H CYS A 62 10.509 -11.738 7.266 1.00 25.00 H new ATOM 0 HA CYS A 62 12.985 -11.672 5.933 1.00 25.00 H new ATOM 0 HB2 CYS A 62 10.438 -11.133 5.272 1.00 25.00 H new ATOM 0 HB3 CYS A 62 10.899 -9.495 5.694 1.00 25.00 H new ATOM 0 HG CYS A 62 11.048 -10.185 2.819 1.00 25.00 H new ATOM 1072 N PHE A 63 12.343 -9.079 7.880 1.00 25.00 N ATOM 1073 CA PHE A 63 12.994 -7.961 8.554 1.00 25.00 C ATOM 1074 C PHE A 63 14.170 -8.489 9.357 1.00 25.00 C ATOM 1075 O PHE A 63 15.214 -7.856 9.401 1.00 25.00 O ATOM 1076 CB PHE A 63 12.055 -7.239 9.533 1.00 25.00 C ATOM 1077 CG PHE A 63 10.850 -6.581 8.892 1.00 25.00 C ATOM 1078 CD1 PHE A 63 10.900 -6.052 7.585 1.00 25.00 C ATOM 1079 CD2 PHE A 63 9.655 -6.455 9.628 1.00 25.00 C ATOM 1080 CE1 PHE A 63 9.764 -5.415 7.017 1.00 25.00 C ATOM 1081 CE2 PHE A 63 8.521 -5.812 9.072 1.00 25.00 C ATOM 1082 CZ PHE A 63 8.579 -5.295 7.763 1.00 25.00 C ATOM 0 H PHE A 63 11.366 -9.225 8.134 1.00 25.00 H new ATOM 0 HA PHE A 63 13.304 -7.255 7.783 1.00 25.00 H new ATOM 0 HB2 PHE A 63 11.707 -7.957 10.276 1.00 25.00 H new ATOM 0 HB3 PHE A 63 12.625 -6.479 10.067 1.00 25.00 H new ATOM 0 HD1 PHE A 63 11.811 -6.132 7.010 1.00 25.00 H new ATOM 0 HD2 PHE A 63 9.603 -6.854 10.630 1.00 25.00 H new ATOM 0 HE1 PHE A 63 9.811 -5.023 6.012 1.00 25.00 H new ATOM 0 HE2 PHE A 63 7.614 -5.719 9.651 1.00 25.00 H new ATOM 0 HZ PHE A 63 7.716 -4.808 7.334 1.00 25.00 H new ATOM 1092 N GLN A 64 13.994 -9.634 10.002 1.00 25.00 N ATOM 1093 CA GLN A 64 15.037 -10.200 10.848 1.00 25.00 C ATOM 1094 C GLN A 64 16.243 -10.649 10.038 1.00 25.00 C ATOM 1095 O GLN A 64 17.377 -10.387 10.429 1.00 25.00 O ATOM 1096 CB GLN A 64 14.491 -11.383 11.653 1.00 25.00 C ATOM 1097 CG GLN A 64 15.473 -11.909 12.694 1.00 25.00 C ATOM 1098 CD GLN A 64 15.855 -10.852 13.711 1.00 25.00 C ATOM 1099 OE1 GLN A 64 15.024 -10.361 14.459 1.00 25.00 O ATOM 1100 NE2 GLN A 64 17.111 -10.488 13.732 1.00 25.00 N ATOM 0 H GLN A 64 13.140 -10.189 9.956 1.00 25.00 H new ATOM 0 HA GLN A 64 15.360 -9.413 11.529 1.00 25.00 H new ATOM 0 HB2 GLN A 64 13.571 -11.080 12.152 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.231 -12.190 10.968 1.00 25.00 H new ATOM 0 HG2 GLN A 64 15.031 -12.762 13.209 1.00 25.00 H new ATOM 0 HG3 GLN A 64 16.371 -12.269 12.193 1.00 25.00 H new ATOM 0 HE21 GLN A 64 17.778 -10.920 13.092 1.00 25.00 H new ATOM 0 HE22 GLN A 64 17.424 -9.772 14.388 1.00 25.00 H new ATOM 1109 N ASP A 65 16.016 -11.305 8.913 1.00 25.00 N ATOM 1110 CA ASP A 65 17.120 -11.760 8.070 1.00 25.00 C ATOM 1111 C ASP A 65 17.917 -10.562 7.576 1.00 25.00 C ATOM 1112 O ASP A 65 19.146 -10.538 7.657 1.00 25.00 O ATOM 1113 CB ASP A 65 16.602 -12.560 6.871 1.00 25.00 C ATOM 1114 CG ASP A 65 16.215 -13.984 7.241 1.00 25.00 C ATOM 1115 OD1 ASP A 65 16.756 -14.510 8.240 1.00 25.00 O ATOM 1116 OD2 ASP A 65 15.408 -14.592 6.506 1.00 25.00 O ATOM 0 H ASP A 65 15.087 -11.535 8.560 1.00 25.00 H new ATOM 0 HA ASP A 65 17.761 -12.409 8.667 1.00 25.00 H new ATOM 0 HB2 ASP A 65 15.737 -12.051 6.446 1.00 25.00 H new ATOM 0 HB3 ASP A 65 17.369 -12.585 6.097 1.00 25.00 H new ATOM 1121 N TYR A 66 17.222 -9.541 7.103 1.00 25.00 N ATOM 1122 CA TYR A 66 17.888 -8.341 6.604 1.00 25.00 C ATOM 1123 C TYR A 66 18.636 -7.633 7.748 1.00 25.00 C ATOM 1124 O TYR A 66 19.769 -7.164 7.582 1.00 25.00 O ATOM 1125 CB TYR A 66 16.847 -7.414 5.972 1.00 25.00 C ATOM 1126 CG TYR A 66 17.403 -6.467 4.920 1.00 25.00 C ATOM 1127 CD1 TYR A 66 18.375 -5.492 5.243 1.00 25.00 C ATOM 1128 CD2 TYR A 66 16.956 -6.546 3.584 1.00 25.00 C ATOM 1129 CE1 TYR A 66 18.894 -4.624 4.245 1.00 25.00 C ATOM 1130 CE2 TYR A 66 17.468 -5.668 2.589 1.00 25.00 C ATOM 1131 CZ TYR A 66 18.433 -4.723 2.930 1.00 25.00 C ATOM 1132 OH TYR A 66 18.933 -3.874 1.975 1.00 25.00 O ATOM 0 H TYR A 66 16.204 -9.515 7.052 1.00 25.00 H new ATOM 0 HA TYR A 66 18.621 -8.616 5.846 1.00 25.00 H new ATOM 0 HB2 TYR A 66 16.065 -8.023 5.518 1.00 25.00 H new ATOM 0 HB3 TYR A 66 16.376 -6.826 6.760 1.00 25.00 H new ATOM 0 HD1 TYR A 66 18.727 -5.406 6.260 1.00 25.00 H new ATOM 0 HD2 TYR A 66 16.215 -7.283 3.313 1.00 25.00 H new ATOM 0 HE1 TYR A 66 19.643 -3.890 4.502 1.00 25.00 H new ATOM 0 HE2 TYR A 66 17.110 -5.734 1.572 1.00 25.00 H new ATOM 0 HH TYR A 66 18.513 -4.070 1.111 1.00 25.00 H new ATOM 1142 N PHE A 67 18.017 -7.595 8.920 1.00 25.00 N ATOM 1143 CA PHE A 67 18.626 -6.981 10.101 1.00 25.00 C ATOM 1144 C PHE A 67 19.878 -7.731 10.550 1.00 25.00 C ATOM 1145 O PHE A 67 20.852 -7.112 10.945 1.00 25.00 O ATOM 1146 CB PHE A 67 17.605 -6.963 11.240 1.00 25.00 C ATOM 1147 CG PHE A 67 18.071 -6.254 12.479 1.00 25.00 C ATOM 1148 CD1 PHE A 67 18.870 -6.917 13.433 1.00 25.00 C ATOM 1149 CD2 PHE A 67 17.686 -4.926 12.719 1.00 25.00 C ATOM 1150 CE1 PHE A 67 19.290 -6.253 14.611 1.00 25.00 C ATOM 1151 CE2 PHE A 67 18.086 -4.259 13.895 1.00 25.00 C ATOM 1152 CZ PHE A 67 18.896 -4.921 14.841 1.00 25.00 C ATOM 0 H PHE A 67 17.088 -7.983 9.083 1.00 25.00 H new ATOM 0 HA PHE A 67 18.924 -5.966 9.839 1.00 25.00 H new ATOM 0 HB2 PHE A 67 16.691 -6.486 10.885 1.00 25.00 H new ATOM 0 HB3 PHE A 67 17.349 -7.990 11.498 1.00 25.00 H new ATOM 0 HD1 PHE A 67 19.165 -7.942 13.263 1.00 25.00 H new ATOM 0 HD2 PHE A 67 17.076 -4.408 11.994 1.00 25.00 H new ATOM 0 HE1 PHE A 67 19.910 -6.767 15.331 1.00 25.00 H new ATOM 0 HE2 PHE A 67 17.772 -3.241 14.071 1.00 25.00 H new ATOM 0 HZ PHE A 67 19.213 -4.409 15.738 1.00 25.00 H new ATOM 1162 N ASN A 68 19.871 -9.053 10.488 1.00 25.00 N ATOM 1163 CA ASN A 68 21.041 -9.821 10.919 1.00 25.00 C ATOM 1164 C ASN A 68 22.170 -9.643 9.910 1.00 25.00 C ATOM 1165 O ASN A 68 23.333 -9.547 10.278 1.00 25.00 O ATOM 1166 CB ASN A 68 20.678 -11.306 11.131 1.00 25.00 C ATOM 1167 CG ASN A 68 21.295 -12.233 10.101 1.00 25.00 C ATOM 1168 OD1 ASN A 68 22.469 -12.548 10.158 1.00 25.00 O ATOM 1169 ND2 ASN A 68 20.492 -12.719 9.203 1.00 25.00 N ATOM 0 H ASN A 68 19.088 -9.613 10.151 1.00 25.00 H new ATOM 0 HA ASN A 68 21.386 -9.444 11.882 1.00 25.00 H new ATOM 0 HB2 ASN A 68 21.003 -11.613 12.125 1.00 25.00 H new ATOM 0 HB3 ASN A 68 19.594 -11.414 11.102 1.00 25.00 H new ATOM 0 HD21 ASN A 68 20.840 -13.387 8.516 1.00 25.00 H new ATOM 0 HD22 ASN A 68 19.513 -12.432 9.185 1.00 25.00 H new ATOM 1176 N THR A 69 21.802 -9.532 8.644 1.00 25.00 N ATOM 1177 CA THR A 69 22.779 -9.340 7.574 1.00 25.00 C ATOM 1178 C THR A 69 23.509 -7.995 7.671 1.00 25.00 C ATOM 1179 O THR A 69 24.723 -7.936 7.485 1.00 25.00 O ATOM 1180 CB THR A 69 22.091 -9.430 6.181 1.00 25.00 C ATOM 1181 OG1 THR A 69 21.380 -10.667 6.079 1.00 25.00 O ATOM 1182 CG2 THR A 69 23.105 -9.392 5.046 1.00 25.00 C ATOM 0 H THR A 69 20.833 -9.571 8.327 1.00 25.00 H new ATOM 0 HA THR A 69 23.514 -10.137 7.690 1.00 25.00 H new ATOM 0 HB THR A 69 21.422 -8.574 6.095 1.00 25.00 H new ATOM 0 HG1 THR A 69 20.587 -10.637 6.655 1.00 25.00 H new ATOM 0 HG21 THR A 69 22.584 -9.457 4.091 1.00 25.00 H new ATOM 0 HG22 THR A 69 23.666 -8.459 5.091 1.00 25.00 H new ATOM 0 HG23 THR A 69 23.792 -10.233 5.143 1.00 25.00 H new ATOM 1190 N PHE A 70 22.778 -6.905 7.896 1.00 25.00 N ATOM 1191 CA PHE A 70 23.392 -5.570 7.851 1.00 25.00 C ATOM 1192 C PHE A 70 23.206 -4.622 9.047 1.00 25.00 C ATOM 1193 O PHE A 70 23.700 -3.487 9.023 1.00 25.00 O ATOM 1194 CB PHE A 70 22.939 -4.872 6.579 1.00 25.00 C ATOM 1195 CG PHE A 70 24.046 -4.680 5.581 1.00 25.00 C ATOM 1196 CD1 PHE A 70 25.227 -4.001 5.945 1.00 25.00 C ATOM 1197 CD2 PHE A 70 23.928 -5.190 4.279 1.00 25.00 C ATOM 1198 CE1 PHE A 70 26.279 -3.822 5.014 1.00 25.00 C ATOM 1199 CE2 PHE A 70 24.973 -5.018 3.334 1.00 25.00 C ATOM 1200 CZ PHE A 70 26.150 -4.331 3.706 1.00 25.00 C ATOM 0 H PHE A 70 21.780 -6.912 8.107 1.00 25.00 H new ATOM 0 HA PHE A 70 24.460 -5.784 7.887 1.00 25.00 H new ATOM 0 HB2 PHE A 70 22.140 -5.453 6.118 1.00 25.00 H new ATOM 0 HB3 PHE A 70 22.518 -3.900 6.836 1.00 25.00 H new ATOM 0 HD1 PHE A 70 25.331 -3.612 6.947 1.00 25.00 H new ATOM 0 HD2 PHE A 70 23.031 -5.720 3.993 1.00 25.00 H new ATOM 0 HE1 PHE A 70 27.177 -3.297 5.305 1.00 25.00 H new ATOM 0 HE2 PHE A 70 24.869 -5.411 2.334 1.00 25.00 H new ATOM 0 HZ PHE A 70 26.948 -4.196 2.991 1.00 25.00 H new ATOM 1210 N GLY A 71 22.536 -5.071 10.094 1.00 25.00 N ATOM 1211 CA GLY A 71 22.400 -4.271 11.303 1.00 25.00 C ATOM 1212 C GLY A 71 21.234 -3.288 11.352 1.00 25.00 C ATOM 1213 O GLY A 71 20.458 -3.156 10.391 1.00 25.00 O ATOM 0 H GLY A 71 22.078 -5.982 10.134 1.00 25.00 H new ATOM 0 HA2 GLY A 71 22.307 -4.950 12.151 1.00 25.00 H new ATOM 0 HA3 GLY A 71 23.323 -3.709 11.444 1.00 25.00 H new ATOM 1217 N PRO A 72 21.094 -2.551 12.475 1.00 25.00 N ATOM 1218 CA PRO A 72 19.975 -1.622 12.700 1.00 25.00 C ATOM 1219 C PRO A 72 19.989 -0.366 11.840 1.00 25.00 C ATOM 1220 O PRO A 72 19.016 0.380 11.801 1.00 25.00 O ATOM 1221 CB PRO A 72 20.128 -1.261 14.182 1.00 25.00 C ATOM 1222 CG PRO A 72 21.575 -1.365 14.428 1.00 25.00 C ATOM 1223 CD PRO A 72 21.990 -2.585 13.648 1.00 25.00 C ATOM 0 HA PRO A 72 19.028 -2.089 12.429 1.00 25.00 H new ATOM 0 HB2 PRO A 72 19.760 -0.256 14.388 1.00 25.00 H new ATOM 0 HB3 PRO A 72 19.565 -1.943 14.819 1.00 25.00 H new ATOM 0 HG2 PRO A 72 22.103 -0.474 14.087 1.00 25.00 H new ATOM 0 HG3 PRO A 72 21.792 -1.477 15.490 1.00 25.00 H new ATOM 0 HD2 PRO A 72 23.039 -2.539 13.356 1.00 25.00 H new ATOM 0 HD3 PRO A 72 21.860 -3.498 14.228 1.00 25.00 H new ATOM 1231 N GLU A 73 21.085 -0.140 11.134 1.00 25.00 N ATOM 1232 CA GLU A 73 21.190 1.003 10.234 1.00 25.00 C ATOM 1233 C GLU A 73 20.358 0.794 8.979 1.00 25.00 C ATOM 1234 O GLU A 73 20.091 1.734 8.231 1.00 25.00 O ATOM 1235 CB GLU A 73 22.635 1.185 9.787 1.00 25.00 C ATOM 1236 CG GLU A 73 23.614 1.578 10.863 1.00 25.00 C ATOM 1237 CD GLU A 73 25.011 1.756 10.281 1.00 25.00 C ATOM 1238 OE1 GLU A 73 25.216 1.362 9.102 1.00 25.00 O ATOM 1239 OE2 GLU A 73 25.896 2.269 10.984 1.00 25.00 O ATOM 0 H GLU A 73 21.916 -0.731 11.165 1.00 25.00 H new ATOM 0 HA GLU A 73 20.832 1.876 10.780 1.00 25.00 H new ATOM 0 HB2 GLU A 73 22.975 0.253 9.336 1.00 25.00 H new ATOM 0 HB3 GLU A 73 22.660 1.944 9.006 1.00 25.00 H new ATOM 0 HG2 GLU A 73 23.290 2.506 11.335 1.00 25.00 H new ATOM 0 HG3 GLU A 73 23.633 0.815 11.641 1.00 25.00 H new ATOM 1246 N LYS A 74 20.037 -0.460 8.699 1.00 25.00 N ATOM 1247 CA LYS A 74 19.396 -0.819 7.436 1.00 25.00 C ATOM 1248 C LYS A 74 17.942 -1.204 7.644 1.00 25.00 C ATOM 1249 O LYS A 74 17.088 -0.809 6.861 1.00 25.00 O ATOM 1250 CB LYS A 74 20.179 -1.950 6.778 1.00 25.00 C ATOM 1251 CG LYS A 74 21.406 -1.487 5.939 1.00 25.00 C ATOM 1252 CD LYS A 74 22.546 -0.984 6.833 1.00 25.00 C ATOM 1253 CE LYS A 74 23.868 -0.812 6.110 1.00 25.00 C ATOM 1254 NZ LYS A 74 24.978 -0.617 7.123 1.00 25.00 N ATOM 0 H LYS A 74 20.208 -1.247 9.325 1.00 25.00 H new ATOM 0 HA LYS A 74 19.402 0.049 6.776 1.00 25.00 H new ATOM 0 HB2 LYS A 74 20.523 -2.635 7.553 1.00 25.00 H new ATOM 0 HB3 LYS A 74 19.505 -2.513 6.132 1.00 25.00 H new ATOM 0 HG2 LYS A 74 21.762 -2.316 5.327 1.00 25.00 H new ATOM 0 HG3 LYS A 74 21.102 -0.694 5.256 1.00 25.00 H new ATOM 0 HD2 LYS A 74 22.256 -0.029 7.271 1.00 25.00 H new ATOM 0 HD3 LYS A 74 22.683 -1.684 7.657 1.00 25.00 H new ATOM 0 HE2 LYS A 74 24.074 -1.687 5.494 1.00 25.00 H new ATOM 0 HE3 LYS A 74 23.819 0.046 5.439 1.00 25.00 H new ATOM 0 HZ1 LYS A 74 25.879 -0.465 6.626 1.00 25.00 H new ATOM 0 HZ2 LYS A 74 24.766 0.211 7.716 1.00 25.00 H new ATOM 0 HZ3 LYS A 74 25.052 -1.463 7.724 1.00 25.00 H new ATOM 1268 N VAL A 75 17.644 -1.879 8.746 1.00 25.00 N ATOM 1269 CA VAL A 75 16.250 -2.080 9.148 1.00 25.00 C ATOM 1270 C VAL A 75 16.158 -1.513 10.554 1.00 25.00 C ATOM 1271 O VAL A 75 16.964 -1.860 11.412 1.00 25.00 O ATOM 1272 CB VAL A 75 15.874 -3.593 9.167 1.00 25.00 C ATOM 1273 CG1 VAL A 75 14.446 -3.813 9.698 1.00 25.00 C ATOM 1274 CG2 VAL A 75 15.987 -4.179 7.768 1.00 25.00 C ATOM 0 H VAL A 75 18.334 -2.293 9.373 1.00 25.00 H new ATOM 0 HA VAL A 75 15.566 -1.596 8.450 1.00 25.00 H new ATOM 0 HB VAL A 75 16.572 -4.097 9.836 1.00 25.00 H new ATOM 0 HG11 VAL A 75 14.218 -4.879 9.697 1.00 25.00 H new ATOM 0 HG12 VAL A 75 14.372 -3.427 10.715 1.00 25.00 H new ATOM 0 HG13 VAL A 75 13.735 -3.289 9.059 1.00 25.00 H new ATOM 0 HG21 VAL A 75 15.722 -5.236 7.794 1.00 25.00 H new ATOM 0 HG22 VAL A 75 15.309 -3.651 7.097 1.00 25.00 H new ATOM 0 HG23 VAL A 75 17.011 -4.070 7.410 1.00 25.00 H new ATOM 1284 N PRO A 76 15.154 -0.668 10.829 1.00 25.00 N ATOM 1285 CA PRO A 76 15.126 -0.142 12.193 1.00 25.00 C ATOM 1286 C PRO A 76 14.474 -1.092 13.187 1.00 25.00 C ATOM 1287 O PRO A 76 13.561 -1.836 12.846 1.00 25.00 O ATOM 1288 CB PRO A 76 14.298 1.125 12.040 1.00 25.00 C ATOM 1289 CG PRO A 76 13.339 0.814 10.962 1.00 25.00 C ATOM 1290 CD PRO A 76 14.082 -0.083 9.996 1.00 25.00 C ATOM 0 HA PRO A 76 16.128 0.017 12.592 1.00 25.00 H new ATOM 0 HB2 PRO A 76 13.784 1.377 12.967 1.00 25.00 H new ATOM 0 HB3 PRO A 76 14.924 1.979 11.780 1.00 25.00 H new ATOM 0 HG2 PRO A 76 12.454 0.315 11.358 1.00 25.00 H new ATOM 0 HG3 PRO A 76 12.998 1.724 10.468 1.00 25.00 H new ATOM 0 HD2 PRO A 76 13.431 -0.852 9.580 1.00 25.00 H new ATOM 0 HD3 PRO A 76 14.488 0.480 9.156 1.00 25.00 H new ATOM 1298 N VAL A 77 14.878 -1.013 14.445 1.00 25.00 N ATOM 1299 CA VAL A 77 14.277 -1.851 15.485 1.00 25.00 C ATOM 1300 C VAL A 77 12.800 -1.496 15.719 1.00 25.00 C ATOM 1301 O VAL A 77 12.012 -2.331 16.158 1.00 25.00 O ATOM 1302 CB VAL A 77 15.069 -1.760 16.821 1.00 25.00 C ATOM 1303 CG1 VAL A 77 16.480 -2.336 16.637 1.00 25.00 C ATOM 1304 CG2 VAL A 77 15.167 -0.305 17.316 1.00 25.00 C ATOM 0 H VAL A 77 15.612 -0.386 14.774 1.00 25.00 H new ATOM 0 HA VAL A 77 14.327 -2.879 15.126 1.00 25.00 H new ATOM 0 HB VAL A 77 14.530 -2.342 17.569 1.00 25.00 H new ATOM 0 HG11 VAL A 77 17.026 -2.268 17.578 1.00 25.00 H new ATOM 0 HG12 VAL A 77 16.410 -3.380 16.333 1.00 25.00 H new ATOM 0 HG13 VAL A 77 17.007 -1.769 15.869 1.00 25.00 H new ATOM 0 HG21 VAL A 77 15.726 -0.276 18.251 1.00 25.00 H new ATOM 0 HG22 VAL A 77 15.679 0.300 16.568 1.00 25.00 H new ATOM 0 HG23 VAL A 77 14.165 0.092 17.480 1.00 25.00 H new ATOM 1314 N THR A 78 12.400 -0.280 15.367 1.00 25.00 N ATOM 1315 CA THR A 78 11.000 0.123 15.523 1.00 25.00 C ATOM 1316 C THR A 78 10.109 -0.601 14.534 1.00 25.00 C ATOM 1317 O THR A 78 8.931 -0.807 14.801 1.00 25.00 O ATOM 1318 CB THR A 78 10.797 1.655 15.374 1.00 25.00 C ATOM 1319 OG1 THR A 78 9.407 1.963 15.253 1.00 25.00 O ATOM 1320 CG2 THR A 78 11.514 2.233 14.180 1.00 25.00 C ATOM 0 H THR A 78 13.011 0.437 14.977 1.00 25.00 H new ATOM 0 HA THR A 78 10.719 -0.155 16.539 1.00 25.00 H new ATOM 0 HB THR A 78 11.220 2.102 16.274 1.00 25.00 H new ATOM 0 HG1 THR A 78 9.204 2.197 14.323 1.00 25.00 H new ATOM 0 HG21 THR A 78 11.333 3.307 14.131 1.00 25.00 H new ATOM 0 HG22 THR A 78 12.584 2.050 14.274 1.00 25.00 H new ATOM 0 HG23 THR A 78 11.144 1.761 13.270 1.00 25.00 H new ATOM 1328 N ALA A 79 10.668 -1.039 13.418 1.00 25.00 N ATOM 1329 CA ALA A 79 9.875 -1.756 12.437 1.00 25.00 C ATOM 1330 C ALA A 79 9.381 -3.086 13.009 1.00 25.00 C ATOM 1331 O ALA A 79 8.263 -3.484 12.743 1.00 25.00 O ATOM 1332 CB ALA A 79 10.679 -1.968 11.191 1.00 25.00 C ATOM 0 H ALA A 79 11.650 -0.913 13.172 1.00 25.00 H new ATOM 0 HA ALA A 79 8.998 -1.160 12.185 1.00 25.00 H new ATOM 0 HB1 ALA A 79 10.079 -2.507 10.458 1.00 25.00 H new ATOM 0 HB2 ALA A 79 10.974 -1.003 10.780 1.00 25.00 H new ATOM 0 HB3 ALA A 79 11.570 -2.549 11.428 1.00 25.00 H new ATOM 1338 N PHE A 80 10.183 -3.733 13.844 1.00 25.00 N ATOM 1339 CA PHE A 80 9.769 -4.986 14.489 1.00 25.00 C ATOM 1340 C PHE A 80 8.688 -4.724 15.529 1.00 25.00 C ATOM 1341 O PHE A 80 7.793 -5.536 15.744 1.00 25.00 O ATOM 1342 CB PHE A 80 10.955 -5.639 15.195 1.00 25.00 C ATOM 1343 CG PHE A 80 12.057 -6.045 14.271 1.00 25.00 C ATOM 1344 CD1 PHE A 80 13.056 -5.124 13.905 1.00 25.00 C ATOM 1345 CD2 PHE A 80 12.117 -7.354 13.767 1.00 25.00 C ATOM 1346 CE1 PHE A 80 14.105 -5.500 13.047 1.00 25.00 C ATOM 1347 CE2 PHE A 80 13.160 -7.746 12.910 1.00 25.00 C ATOM 1348 CZ PHE A 80 14.158 -6.819 12.548 1.00 25.00 C ATOM 0 H PHE A 80 11.121 -3.418 14.094 1.00 25.00 H new ATOM 0 HA PHE A 80 9.385 -5.645 13.710 1.00 25.00 H new ATOM 0 HB2 PHE A 80 11.352 -4.945 15.936 1.00 25.00 H new ATOM 0 HB3 PHE A 80 10.605 -6.518 15.736 1.00 25.00 H new ATOM 0 HD1 PHE A 80 13.017 -4.115 14.288 1.00 25.00 H new ATOM 0 HD2 PHE A 80 11.354 -8.067 14.041 1.00 25.00 H new ATOM 0 HE1 PHE A 80 14.865 -4.784 12.772 1.00 25.00 H new ATOM 0 HE2 PHE A 80 13.197 -8.756 12.529 1.00 25.00 H new ATOM 0 HZ PHE A 80 14.961 -7.117 11.890 1.00 25.00 H new ATOM 1358 N SER A 81 8.779 -3.575 16.176 1.00 25.00 N ATOM 1359 CA SER A 81 7.818 -3.200 17.213 1.00 25.00 C ATOM 1360 C SER A 81 6.471 -2.936 16.558 1.00 25.00 C ATOM 1361 O SER A 81 5.430 -3.408 17.018 1.00 25.00 O ATOM 1362 CB SER A 81 8.299 -1.951 17.958 1.00 25.00 C ATOM 1363 OG SER A 81 7.390 -1.583 18.980 1.00 25.00 O ATOM 0 H SER A 81 9.507 -2.881 16.005 1.00 25.00 H new ATOM 0 HA SER A 81 7.724 -4.010 17.936 1.00 25.00 H new ATOM 0 HB2 SER A 81 9.281 -2.139 18.392 1.00 25.00 H new ATOM 0 HB3 SER A 81 8.413 -1.126 17.255 1.00 25.00 H new ATOM 0 HG SER A 81 7.722 -0.784 19.441 1.00 25.00 H new ATOM 1369 N TYR A 82 6.501 -2.230 15.440 1.00 25.00 N ATOM 1370 CA TYR A 82 5.295 -1.977 14.673 1.00 25.00 C ATOM 1371 C TYR A 82 4.780 -3.263 14.070 1.00 25.00 C ATOM 1372 O TYR A 82 3.589 -3.505 14.064 1.00 25.00 O ATOM 1373 CB TYR A 82 5.567 -0.969 13.570 1.00 25.00 C ATOM 1374 CG TYR A 82 5.212 0.428 13.993 1.00 25.00 C ATOM 1375 CD1 TYR A 82 6.126 1.224 14.712 1.00 25.00 C ATOM 1376 CD2 TYR A 82 3.944 0.957 13.695 1.00 25.00 C ATOM 1377 CE1 TYR A 82 5.779 2.540 15.120 1.00 25.00 C ATOM 1378 CE2 TYR A 82 3.594 2.280 14.097 1.00 25.00 C ATOM 1379 CZ TYR A 82 4.519 3.056 14.799 1.00 25.00 C ATOM 1380 OH TYR A 82 4.194 4.335 15.174 1.00 25.00 O ATOM 0 H TYR A 82 7.348 -1.822 15.044 1.00 25.00 H new ATOM 0 HA TYR A 82 4.541 -1.569 15.346 1.00 25.00 H new ATOM 0 HB2 TYR A 82 6.620 -1.009 13.293 1.00 25.00 H new ATOM 0 HB3 TYR A 82 4.994 -1.237 12.683 1.00 25.00 H new ATOM 0 HD1 TYR A 82 7.101 0.829 14.956 1.00 25.00 H new ATOM 0 HD2 TYR A 82 3.227 0.355 13.156 1.00 25.00 H new ATOM 0 HE1 TYR A 82 6.485 3.139 15.676 1.00 25.00 H new ATOM 0 HE2 TYR A 82 2.619 2.680 13.860 1.00 25.00 H new ATOM 0 HH TYR A 82 3.284 4.542 14.875 1.00 25.00 H new ATOM 1390 N TRP A 83 5.674 -4.113 13.599 1.00 25.00 N ATOM 1391 CA TRP A 83 5.274 -5.385 13.021 1.00 25.00 C ATOM 1392 C TRP A 83 4.503 -6.223 14.040 1.00 25.00 C ATOM 1393 O TRP A 83 3.497 -6.857 13.712 1.00 25.00 O ATOM 1394 CB TRP A 83 6.511 -6.162 12.565 1.00 25.00 C ATOM 1395 CG TRP A 83 6.180 -7.521 12.050 1.00 25.00 C ATOM 1396 CD1 TRP A 83 5.793 -7.863 10.797 1.00 25.00 C ATOM 1397 CD2 TRP A 83 6.186 -8.755 12.796 1.00 25.00 C ATOM 1398 NE1 TRP A 83 5.540 -9.199 10.696 1.00 25.00 N ATOM 1399 CE2 TRP A 83 5.763 -9.784 11.908 1.00 25.00 C ATOM 1400 CE3 TRP A 83 6.502 -9.094 14.129 1.00 25.00 C ATOM 1401 CZ2 TRP A 83 5.636 -11.124 12.313 1.00 25.00 C ATOM 1402 CZ3 TRP A 83 6.390 -10.447 14.538 1.00 25.00 C ATOM 1403 CH2 TRP A 83 5.951 -11.448 13.620 1.00 25.00 C ATOM 0 H TRP A 83 6.680 -3.947 13.605 1.00 25.00 H new ATOM 0 HA TRP A 83 4.628 -5.183 12.166 1.00 25.00 H new ATOM 0 HB2 TRP A 83 7.023 -5.597 11.786 1.00 25.00 H new ATOM 0 HB3 TRP A 83 7.205 -6.254 13.400 1.00 25.00 H new ATOM 0 HD1 TRP A 83 5.697 -7.164 9.980 1.00 25.00 H new ATOM 0 HE1 TRP A 83 5.234 -9.682 9.852 1.00 25.00 H new ATOM 0 HE3 TRP A 83 6.824 -8.335 14.826 1.00 25.00 H new ATOM 0 HZ2 TRP A 83 5.301 -11.882 11.621 1.00 25.00 H new ATOM 0 HZ3 TRP A 83 6.639 -10.722 15.552 1.00 25.00 H new ATOM 0 HH2 TRP A 83 5.864 -12.472 13.951 1.00 25.00 H new ATOM 1414 N ASN A 84 4.956 -6.191 15.287 1.00 25.00 N ATOM 1415 CA ASN A 84 4.336 -6.936 16.356 1.00 25.00 C ATOM 1416 C ASN A 84 2.933 -6.407 16.661 1.00 25.00 C ATOM 1417 O ASN A 84 2.058 -7.160 17.084 1.00 25.00 O ATOM 1418 CB ASN A 84 5.231 -6.831 17.587 1.00 25.00 C ATOM 1419 CG ASN A 84 4.628 -7.468 18.780 1.00 25.00 C ATOM 1420 OD1 ASN A 84 4.685 -8.678 18.956 1.00 25.00 O ATOM 1421 ND2 ASN A 84 4.036 -6.669 19.606 1.00 25.00 N ATOM 0 H ASN A 84 5.766 -5.644 15.578 1.00 25.00 H new ATOM 0 HA ASN A 84 4.225 -7.979 16.059 1.00 25.00 H new ATOM 0 HB2 ASN A 84 6.192 -7.300 17.375 1.00 25.00 H new ATOM 0 HB3 ASN A 84 5.429 -5.781 17.800 1.00 25.00 H new ATOM 0 HD21 ASN A 84 3.592 -7.041 20.445 1.00 25.00 H new ATOM 0 HD22 ASN A 84 4.013 -5.667 19.418 1.00 25.00 H new ATOM 1428 N LEU A 85 2.715 -5.121 16.410 1.00 25.00 N ATOM 1429 CA LEU A 85 1.416 -4.498 16.637 1.00 25.00 C ATOM 1430 C LEU A 85 0.407 -5.129 15.690 1.00 25.00 C ATOM 1431 O LEU A 85 -0.671 -5.534 16.100 1.00 25.00 O ATOM 1432 CB LEU A 85 1.534 -2.980 16.401 1.00 25.00 C ATOM 1433 CG LEU A 85 0.358 -2.045 16.700 1.00 25.00 C ATOM 1434 CD1 LEU A 85 0.911 -0.617 16.843 1.00 25.00 C ATOM 1435 CD2 LEU A 85 -0.713 -2.054 15.601 1.00 25.00 C ATOM 0 H LEU A 85 3.426 -4.486 16.047 1.00 25.00 H new ATOM 0 HA LEU A 85 1.082 -4.656 17.662 1.00 25.00 H new ATOM 0 HB2 LEU A 85 2.380 -2.629 16.992 1.00 25.00 H new ATOM 0 HB3 LEU A 85 1.797 -2.839 15.353 1.00 25.00 H new ATOM 0 HG LEU A 85 -0.122 -2.394 17.614 1.00 25.00 H new ATOM 0 HD11 LEU A 85 0.093 0.070 17.057 1.00 25.00 H new ATOM 0 HD12 LEU A 85 1.633 -0.586 17.659 1.00 25.00 H new ATOM 0 HD13 LEU A 85 1.400 -0.322 15.915 1.00 25.00 H new ATOM 0 HD21 LEU A 85 -1.519 -1.372 15.872 1.00 25.00 H new ATOM 0 HD22 LEU A 85 -0.269 -1.735 14.658 1.00 25.00 H new ATOM 0 HD23 LEU A 85 -1.113 -3.062 15.491 1.00 25.00 H new ATOM 1447 N ILE A 86 0.771 -5.244 14.421 1.00 25.00 N ATOM 1448 CA ILE A 86 -0.141 -5.822 13.438 1.00 25.00 C ATOM 1449 C ILE A 86 -0.260 -7.323 13.674 1.00 25.00 C ATOM 1450 O ILE A 86 -1.316 -7.913 13.473 1.00 25.00 O ATOM 1451 CB ILE A 86 0.318 -5.571 11.993 1.00 25.00 C ATOM 1452 CG1 ILE A 86 0.488 -4.068 11.746 1.00 25.00 C ATOM 1453 CG2 ILE A 86 -0.703 -6.125 10.994 1.00 25.00 C ATOM 1454 CD1 ILE A 86 1.902 -3.699 11.422 1.00 25.00 C ATOM 0 H ILE A 86 1.675 -4.951 14.050 1.00 25.00 H new ATOM 0 HA ILE A 86 -1.108 -5.335 13.566 1.00 25.00 H new ATOM 0 HB ILE A 86 1.271 -6.080 11.851 1.00 25.00 H new ATOM 0 HG12 ILE A 86 -0.162 -3.762 10.926 1.00 25.00 H new ATOM 0 HG13 ILE A 86 0.166 -3.519 12.630 1.00 25.00 H new ATOM 0 HG21 ILE A 86 -0.357 -5.936 9.978 1.00 25.00 H new ATOM 0 HG22 ILE A 86 -0.815 -7.199 11.145 1.00 25.00 H new ATOM 0 HG23 ILE A 86 -1.665 -5.635 11.147 1.00 25.00 H new ATOM 0 HD11 ILE A 86 1.969 -2.624 11.256 1.00 25.00 H new ATOM 0 HD12 ILE A 86 2.550 -3.979 12.252 1.00 25.00 H new ATOM 0 HD13 ILE A 86 2.218 -4.225 10.521 1.00 25.00 H new ATOM 1466 N LYS A 87 0.817 -7.939 14.144 1.00 25.00 N ATOM 1467 CA LYS A 87 0.805 -9.371 14.415 1.00 25.00 C ATOM 1468 C LYS A 87 -0.308 -9.709 15.394 1.00 25.00 C ATOM 1469 O LYS A 87 -1.074 -10.620 15.143 1.00 25.00 O ATOM 1470 CB LYS A 87 2.190 -9.841 14.911 1.00 25.00 C ATOM 1471 CG LYS A 87 2.193 -10.724 16.170 1.00 25.00 C ATOM 1472 CD LYS A 87 3.597 -11.003 16.651 1.00 25.00 C ATOM 1473 CE LYS A 87 3.564 -11.671 18.021 1.00 25.00 C ATOM 1474 NZ LYS A 87 4.901 -11.574 18.699 1.00 25.00 N ATOM 0 H LYS A 87 1.703 -7.475 14.344 1.00 25.00 H new ATOM 0 HA LYS A 87 0.600 -9.912 13.491 1.00 25.00 H new ATOM 0 HB2 LYS A 87 2.675 -10.391 14.105 1.00 25.00 H new ATOM 0 HB3 LYS A 87 2.801 -8.960 15.108 1.00 25.00 H new ATOM 0 HG2 LYS A 87 1.628 -10.232 16.961 1.00 25.00 H new ATOM 0 HG3 LYS A 87 1.687 -11.666 15.956 1.00 25.00 H new ATOM 0 HD2 LYS A 87 4.112 -11.646 15.938 1.00 25.00 H new ATOM 0 HD3 LYS A 87 4.161 -10.072 16.706 1.00 25.00 H new ATOM 0 HE2 LYS A 87 2.802 -11.199 18.642 1.00 25.00 H new ATOM 0 HE3 LYS A 87 3.282 -12.718 17.912 1.00 25.00 H new ATOM 0 HZ1 LYS A 87 4.888 -12.136 19.574 1.00 25.00 H new ATOM 0 HZ2 LYS A 87 5.639 -11.939 18.064 1.00 25.00 H new ATOM 0 HZ3 LYS A 87 5.102 -10.580 18.929 1.00 25.00 H new ATOM 1488 N GLU A 88 -0.440 -8.973 16.486 1.00 25.00 N ATOM 1489 CA GLU A 88 -1.470 -9.327 17.452 1.00 25.00 C ATOM 1490 C GLU A 88 -2.850 -8.901 16.958 1.00 25.00 C ATOM 1491 O GLU A 88 -3.844 -9.520 17.306 1.00 25.00 O ATOM 1492 CB GLU A 88 -1.150 -8.780 18.844 1.00 25.00 C ATOM 1493 CG GLU A 88 -1.272 -7.288 19.016 1.00 25.00 C ATOM 1494 CD GLU A 88 -1.117 -6.894 20.469 1.00 25.00 C ATOM 1495 OE1 GLU A 88 -2.011 -7.226 21.281 1.00 25.00 O ATOM 1496 OE2 GLU A 88 -0.119 -6.226 20.805 1.00 25.00 O ATOM 0 H GLU A 88 0.127 -8.159 16.722 1.00 25.00 H new ATOM 0 HA GLU A 88 -1.486 -10.413 17.547 1.00 25.00 H new ATOM 0 HB2 GLU A 88 -1.812 -9.263 19.563 1.00 25.00 H new ATOM 0 HB3 GLU A 88 -0.132 -9.073 19.102 1.00 25.00 H new ATOM 0 HG2 GLU A 88 -0.512 -6.786 18.417 1.00 25.00 H new ATOM 0 HG3 GLU A 88 -2.242 -6.954 18.647 1.00 25.00 H new ATOM 1503 N LEU A 89 -2.909 -7.900 16.088 1.00 25.00 N ATOM 1504 CA LEU A 89 -4.157 -7.502 15.464 1.00 25.00 C ATOM 1505 C LEU A 89 -4.728 -8.613 14.582 1.00 25.00 C ATOM 1506 O LEU A 89 -5.918 -8.885 14.636 1.00 25.00 O ATOM 1507 CB LEU A 89 -3.934 -6.238 14.635 1.00 25.00 C ATOM 1508 CG LEU A 89 -4.508 -4.977 15.283 1.00 25.00 C ATOM 1509 CD1 LEU A 89 -3.828 -4.565 16.589 1.00 25.00 C ATOM 1510 CD2 LEU A 89 -4.441 -3.818 14.285 1.00 25.00 C ATOM 0 H LEU A 89 -2.101 -7.349 15.800 1.00 25.00 H new ATOM 0 HA LEU A 89 -4.882 -7.303 16.254 1.00 25.00 H new ATOM 0 HB2 LEU A 89 -2.864 -6.101 14.476 1.00 25.00 H new ATOM 0 HB3 LEU A 89 -4.388 -6.372 13.653 1.00 25.00 H new ATOM 0 HG LEU A 89 -5.538 -5.218 15.547 1.00 25.00 H new ATOM 0 HD11 LEU A 89 -4.300 -3.662 16.976 1.00 25.00 H new ATOM 0 HD12 LEU A 89 -3.927 -5.368 17.320 1.00 25.00 H new ATOM 0 HD13 LEU A 89 -2.772 -4.371 16.404 1.00 25.00 H new ATOM 0 HD21 LEU A 89 -4.850 -2.918 14.745 1.00 25.00 H new ATOM 0 HD22 LEU A 89 -3.403 -3.642 14.001 1.00 25.00 H new ATOM 0 HD23 LEU A 89 -5.022 -4.068 13.397 1.00 25.00 H new ATOM 1522 N ILE A 90 -3.889 -9.268 13.789 1.00 25.00 N ATOM 1523 CA ILE A 90 -4.368 -10.351 12.923 1.00 25.00 C ATOM 1524 C ILE A 90 -4.607 -11.616 13.753 1.00 25.00 C ATOM 1525 O ILE A 90 -5.604 -12.309 13.573 1.00 25.00 O ATOM 1526 CB ILE A 90 -3.360 -10.715 11.783 1.00 25.00 C ATOM 1527 CG1 ILE A 90 -3.010 -9.487 10.917 1.00 25.00 C ATOM 1528 CG2 ILE A 90 -3.977 -11.806 10.866 1.00 25.00 C ATOM 1529 CD1 ILE A 90 -1.749 -9.702 10.030 1.00 25.00 C ATOM 0 H ILE A 90 -2.889 -9.077 13.723 1.00 25.00 H new ATOM 0 HA ILE A 90 -5.289 -9.989 12.467 1.00 25.00 H new ATOM 0 HB ILE A 90 -2.448 -11.080 12.256 1.00 25.00 H new ATOM 0 HG12 ILE A 90 -3.860 -9.247 10.278 1.00 25.00 H new ATOM 0 HG13 ILE A 90 -2.847 -8.627 11.566 1.00 25.00 H new ATOM 0 HG21 ILE A 90 -3.272 -12.057 10.073 1.00 25.00 H new ATOM 0 HG22 ILE A 90 -4.192 -12.697 11.455 1.00 25.00 H new ATOM 0 HG23 ILE A 90 -4.900 -11.431 10.425 1.00 25.00 H new ATOM 0 HD11 ILE A 90 -1.557 -8.802 9.446 1.00 25.00 H new ATOM 0 HD12 ILE A 90 -0.889 -9.912 10.665 1.00 25.00 H new ATOM 0 HD13 ILE A 90 -1.917 -10.542 9.357 1.00 25.00 H new ATOM 1541 N ASP A 91 -3.688 -11.918 14.660 1.00 25.00 N ATOM 1542 CA ASP A 91 -3.763 -13.146 15.465 1.00 25.00 C ATOM 1543 C ASP A 91 -5.025 -13.167 16.331 1.00 25.00 C ATOM 1544 O ASP A 91 -5.611 -14.211 16.579 1.00 25.00 O ATOM 1545 CB ASP A 91 -2.519 -13.239 16.355 1.00 25.00 C ATOM 1546 CG ASP A 91 -2.275 -14.638 16.888 1.00 25.00 C ATOM 1547 OD1 ASP A 91 -2.104 -15.570 16.068 1.00 25.00 O ATOM 1548 OD2 ASP A 91 -2.089 -14.772 18.114 1.00 25.00 O ATOM 0 H ASP A 91 -2.877 -11.333 14.863 1.00 25.00 H new ATOM 0 HA ASP A 91 -3.806 -14.002 14.791 1.00 25.00 H new ATOM 0 HB2 ASP A 91 -1.647 -12.916 15.786 1.00 25.00 H new ATOM 0 HB3 ASP A 91 -2.626 -12.550 17.193 1.00 25.00 H new ATOM 1553 N LYS A 92 -5.459 -11.987 16.754 1.00 25.00 N ATOM 1554 CA LYS A 92 -6.649 -11.838 17.598 1.00 25.00 C ATOM 1555 C LYS A 92 -7.795 -11.167 16.847 1.00 25.00 C ATOM 1556 O LYS A 92 -8.666 -10.551 17.460 1.00 25.00 O ATOM 1557 CB LYS A 92 -6.292 -11.035 18.823 1.00 25.00 C ATOM 1558 CG LYS A 92 -5.214 -11.726 19.620 1.00 25.00 C ATOM 1559 CD LYS A 92 -5.087 -11.107 20.952 1.00 25.00 C ATOM 1560 CE LYS A 92 -4.430 -9.723 20.840 1.00 25.00 C ATOM 1561 NZ LYS A 92 -3.947 -9.155 22.145 1.00 25.00 N ATOM 0 H LYS A 92 -5.001 -11.105 16.525 1.00 25.00 H new ATOM 0 HA LYS A 92 -6.988 -12.832 17.889 1.00 25.00 H new ATOM 0 HB2 LYS A 92 -5.952 -10.043 18.527 1.00 25.00 H new ATOM 0 HB3 LYS A 92 -7.177 -10.897 19.444 1.00 25.00 H new ATOM 0 HG2 LYS A 92 -5.451 -12.785 19.724 1.00 25.00 H new ATOM 0 HG3 LYS A 92 -4.264 -11.663 19.090 1.00 25.00 H new ATOM 0 HD2 LYS A 92 -6.071 -11.013 21.412 1.00 25.00 H new ATOM 0 HD3 LYS A 92 -4.491 -11.748 21.602 1.00 25.00 H new ATOM 0 HE2 LYS A 92 -3.586 -9.790 20.153 1.00 25.00 H new ATOM 0 HE3 LYS A 92 -5.146 -9.029 20.399 1.00 25.00 H new ATOM 0 HZ1 LYS A 92 -3.239 -8.416 21.961 1.00 25.00 H new ATOM 0 HZ2 LYS A 92 -4.750 -8.744 22.663 1.00 25.00 H new ATOM 0 HZ3 LYS A 92 -3.518 -9.911 22.715 1.00 25.00 H new ATOM 1575 N LYS A 93 -7.787 -11.249 15.521 1.00 25.00 N ATOM 1576 CA LYS A 93 -8.793 -10.548 14.702 1.00 25.00 C ATOM 1577 C LYS A 93 -10.219 -10.982 15.029 1.00 25.00 C ATOM 1578 O LYS A 93 -11.158 -10.228 14.854 1.00 25.00 O ATOM 1579 CB LYS A 93 -8.521 -10.758 13.198 1.00 25.00 C ATOM 1580 CG LYS A 93 -8.728 -12.200 12.705 1.00 25.00 C ATOM 1581 CD LYS A 93 -8.384 -12.362 11.231 1.00 25.00 C ATOM 1582 CE LYS A 93 -8.362 -13.847 10.822 1.00 25.00 C ATOM 1583 NZ LYS A 93 -9.668 -14.580 11.073 1.00 25.00 N ATOM 0 H LYS A 93 -7.105 -11.787 14.986 1.00 25.00 H new ATOM 0 HA LYS A 93 -8.703 -9.489 14.944 1.00 25.00 H new ATOM 0 HB2 LYS A 93 -9.173 -10.096 12.628 1.00 25.00 H new ATOM 0 HB3 LYS A 93 -7.496 -10.458 12.982 1.00 25.00 H new ATOM 0 HG2 LYS A 93 -8.110 -12.876 13.296 1.00 25.00 H new ATOM 0 HG3 LYS A 93 -9.766 -12.492 12.868 1.00 25.00 H new ATOM 0 HD2 LYS A 93 -9.114 -11.826 10.624 1.00 25.00 H new ATOM 0 HD3 LYS A 93 -7.411 -11.913 11.031 1.00 25.00 H new ATOM 0 HE2 LYS A 93 -8.117 -13.917 9.762 1.00 25.00 H new ATOM 0 HE3 LYS A 93 -7.564 -14.351 11.368 1.00 25.00 H new ATOM 0 HZ1 LYS A 93 -9.898 -15.171 10.249 1.00 25.00 H new ATOM 0 HZ2 LYS A 93 -9.572 -15.182 11.915 1.00 25.00 H new ATOM 0 HZ3 LYS A 93 -10.430 -13.889 11.227 1.00 25.00 H new ATOM 1597 N GLU A 94 -10.372 -12.210 15.489 1.00 25.00 N ATOM 1598 CA GLU A 94 -11.693 -12.810 15.678 1.00 25.00 C ATOM 1599 C GLU A 94 -12.433 -12.252 16.889 1.00 25.00 C ATOM 1600 O GLU A 94 -13.647 -12.353 16.981 1.00 25.00 O ATOM 1601 CB GLU A 94 -11.529 -14.328 15.766 1.00 25.00 C ATOM 1602 CG GLU A 94 -10.481 -14.806 14.762 1.00 25.00 C ATOM 1603 CD GLU A 94 -10.621 -16.249 14.346 1.00 25.00 C ATOM 1604 OE1 GLU A 94 -10.890 -17.122 15.187 1.00 25.00 O ATOM 1605 OE2 GLU A 94 -10.405 -16.501 13.134 1.00 25.00 O ATOM 0 H GLU A 94 -9.595 -12.821 15.742 1.00 25.00 H new ATOM 0 HA GLU A 94 -12.316 -12.553 14.821 1.00 25.00 H new ATOM 0 HB2 GLU A 94 -11.231 -14.611 16.776 1.00 25.00 H new ATOM 0 HB3 GLU A 94 -12.483 -14.816 15.567 1.00 25.00 H new ATOM 0 HG2 GLU A 94 -10.536 -14.178 13.873 1.00 25.00 H new ATOM 0 HG3 GLU A 94 -9.491 -14.661 15.194 1.00 25.00 H new ATOM 1612 N VAL A 95 -11.696 -11.596 17.775 1.00 25.00 N ATOM 1613 CA VAL A 95 -12.295 -10.921 18.935 1.00 25.00 C ATOM 1614 C VAL A 95 -12.115 -9.406 18.800 1.00 25.00 C ATOM 1615 O VAL A 95 -12.414 -8.642 19.710 1.00 25.00 O ATOM 1616 CB VAL A 95 -11.697 -11.440 20.281 1.00 25.00 C ATOM 1617 CG1 VAL A 95 -12.022 -12.932 20.464 1.00 25.00 C ATOM 1618 CG2 VAL A 95 -10.174 -11.235 20.343 1.00 25.00 C ATOM 0 H VAL A 95 -10.681 -11.513 17.719 1.00 25.00 H new ATOM 0 HA VAL A 95 -13.360 -11.153 18.953 1.00 25.00 H new ATOM 0 HB VAL A 95 -12.151 -10.862 21.086 1.00 25.00 H new ATOM 0 HG11 VAL A 95 -11.600 -13.283 21.406 1.00 25.00 H new ATOM 0 HG12 VAL A 95 -13.103 -13.070 20.477 1.00 25.00 H new ATOM 0 HG13 VAL A 95 -11.593 -13.502 19.639 1.00 25.00 H new ATOM 0 HG21 VAL A 95 -9.795 -11.608 21.294 1.00 25.00 H new ATOM 0 HG22 VAL A 95 -9.700 -11.778 19.525 1.00 25.00 H new ATOM 0 HG23 VAL A 95 -9.946 -10.173 20.253 1.00 25.00 H new ATOM 1628 N ASN A 96 -11.637 -8.985 17.636 1.00 25.00 N ATOM 1629 CA ASN A 96 -11.431 -7.566 17.333 1.00 25.00 C ATOM 1630 C ASN A 96 -12.080 -7.235 15.981 1.00 25.00 C ATOM 1631 O ASN A 96 -11.397 -7.133 14.959 1.00 25.00 O ATOM 1632 CB ASN A 96 -9.932 -7.250 17.277 1.00 25.00 C ATOM 1633 CG ASN A 96 -9.324 -7.093 18.640 1.00 25.00 C ATOM 1634 OD1 ASN A 96 -9.438 -6.053 19.264 1.00 25.00 O ATOM 1635 ND2 ASN A 96 -8.642 -8.103 19.095 1.00 25.00 N ATOM 0 H ASN A 96 -11.380 -9.612 16.874 1.00 25.00 H new ATOM 0 HA ASN A 96 -11.889 -6.963 18.117 1.00 25.00 H new ATOM 0 HB2 ASN A 96 -9.416 -8.048 16.743 1.00 25.00 H new ATOM 0 HB3 ASN A 96 -9.779 -6.334 16.707 1.00 25.00 H new ATOM 0 HD21 ASN A 96 -8.181 -8.040 20.003 1.00 25.00 H new ATOM 0 HD22 ASN A 96 -8.568 -8.958 18.544 1.00 25.00 H new ATOM 1642 N PRO A 97 -13.415 -7.073 15.945 1.00 25.00 N ATOM 1643 CA PRO A 97 -14.039 -6.900 14.624 1.00 25.00 C ATOM 1644 C PRO A 97 -13.691 -5.604 13.887 1.00 25.00 C ATOM 1645 O PRO A 97 -13.750 -5.558 12.658 1.00 25.00 O ATOM 1646 CB PRO A 97 -15.535 -6.967 14.946 1.00 25.00 C ATOM 1647 CG PRO A 97 -15.631 -6.486 16.352 1.00 25.00 C ATOM 1648 CD PRO A 97 -14.425 -7.092 17.020 1.00 25.00 C ATOM 0 HA PRO A 97 -13.679 -7.659 13.930 1.00 25.00 H new ATOM 0 HB2 PRO A 97 -16.116 -6.339 14.270 1.00 25.00 H new ATOM 0 HB3 PRO A 97 -15.918 -7.982 14.846 1.00 25.00 H new ATOM 0 HG2 PRO A 97 -15.613 -5.397 16.405 1.00 25.00 H new ATOM 0 HG3 PRO A 97 -16.557 -6.813 16.825 1.00 25.00 H new ATOM 0 HD2 PRO A 97 -14.106 -6.511 17.885 1.00 25.00 H new ATOM 0 HD3 PRO A 97 -14.623 -8.105 17.372 1.00 25.00 H new ATOM 1656 N GLN A 98 -13.287 -4.562 14.605 1.00 25.00 N ATOM 1657 CA GLN A 98 -12.907 -3.308 13.952 1.00 25.00 C ATOM 1658 C GLN A 98 -11.631 -3.519 13.143 1.00 25.00 C ATOM 1659 O GLN A 98 -11.480 -2.948 12.064 1.00 25.00 O ATOM 1660 CB GLN A 98 -12.768 -2.124 14.943 1.00 25.00 C ATOM 1661 CG GLN A 98 -11.689 -2.226 16.017 1.00 25.00 C ATOM 1662 CD GLN A 98 -12.018 -3.223 17.104 1.00 25.00 C ATOM 1663 OE1 GLN A 98 -11.768 -4.401 16.958 1.00 25.00 O ATOM 1664 NE2 GLN A 98 -12.605 -2.764 18.174 1.00 25.00 N ATOM 0 H GLN A 98 -13.214 -4.556 15.622 1.00 25.00 H new ATOM 0 HA GLN A 98 -13.716 -3.027 13.278 1.00 25.00 H new ATOM 0 HB2 GLN A 98 -12.581 -1.220 14.363 1.00 25.00 H new ATOM 0 HB3 GLN A 98 -13.728 -1.989 15.442 1.00 25.00 H new ATOM 0 HG2 GLN A 98 -10.746 -2.508 15.549 1.00 25.00 H new ATOM 0 HG3 GLN A 98 -11.541 -1.244 16.467 1.00 25.00 H new ATOM 0 HE21 GLN A 98 -12.799 -1.766 18.261 1.00 25.00 H new ATOM 0 HE22 GLN A 98 -12.870 -3.403 18.924 1.00 25.00 H new ATOM 1673 N VAL A 99 -10.728 -4.359 13.637 1.00 25.00 N ATOM 1674 CA VAL A 99 -9.504 -4.648 12.896 1.00 25.00 C ATOM 1675 C VAL A 99 -9.746 -5.760 11.879 1.00 25.00 C ATOM 1676 O VAL A 99 -9.159 -5.743 10.819 1.00 25.00 O ATOM 1677 CB VAL A 99 -8.274 -4.945 13.829 1.00 25.00 C ATOM 1678 CG1 VAL A 99 -8.369 -4.107 15.123 1.00 25.00 C ATOM 1679 CG2 VAL A 99 -8.131 -6.432 14.163 1.00 25.00 C ATOM 0 H VAL A 99 -10.816 -4.844 14.530 1.00 25.00 H new ATOM 0 HA VAL A 99 -9.234 -3.744 12.350 1.00 25.00 H new ATOM 0 HB VAL A 99 -7.379 -4.659 13.277 1.00 25.00 H new ATOM 0 HG11 VAL A 99 -7.511 -4.323 15.760 1.00 25.00 H new ATOM 0 HG12 VAL A 99 -8.376 -3.047 14.870 1.00 25.00 H new ATOM 0 HG13 VAL A 99 -9.287 -4.360 15.653 1.00 25.00 H new ATOM 0 HG21 VAL A 99 -7.266 -6.578 14.810 1.00 25.00 H new ATOM 0 HG22 VAL A 99 -9.029 -6.778 14.675 1.00 25.00 H new ATOM 0 HG23 VAL A 99 -7.996 -7.000 13.243 1.00 25.00 H new ATOM 1689 N MET A 100 -10.648 -6.692 12.166 1.00 25.00 N ATOM 1690 CA MET A 100 -10.946 -7.787 11.237 1.00 25.00 C ATOM 1691 C MET A 100 -11.514 -7.266 9.924 1.00 25.00 C ATOM 1692 O MET A 100 -11.167 -7.746 8.852 1.00 25.00 O ATOM 1693 CB MET A 100 -11.947 -8.756 11.859 1.00 25.00 C ATOM 1694 CG MET A 100 -11.886 -10.156 11.264 1.00 25.00 C ATOM 1695 SD MET A 100 -13.503 -10.768 10.757 1.00 25.00 S ATOM 1696 CE MET A 100 -13.685 -10.008 9.120 1.00 25.00 C ATOM 0 H MET A 100 -11.187 -6.715 13.032 1.00 25.00 H new ATOM 0 HA MET A 100 -10.007 -8.303 11.034 1.00 25.00 H new ATOM 0 HB2 MET A 100 -11.763 -8.817 12.932 1.00 25.00 H new ATOM 0 HB3 MET A 100 -12.954 -8.358 11.730 1.00 25.00 H new ATOM 0 HG2 MET A 100 -11.218 -10.151 10.403 1.00 25.00 H new ATOM 0 HG3 MET A 100 -11.457 -10.839 11.997 1.00 25.00 H new ATOM 0 HE1 MET A 100 -14.590 -10.384 8.643 1.00 25.00 H new ATOM 0 HE2 MET A 100 -13.754 -8.925 9.227 1.00 25.00 H new ATOM 0 HE3 MET A 100 -12.820 -10.257 8.505 1.00 25.00 H new ATOM 1706 N ALA A 101 -12.359 -6.251 10.005 1.00 25.00 N ATOM 1707 CA ALA A 101 -12.914 -5.643 8.803 1.00 25.00 C ATOM 1708 C ALA A 101 -11.800 -4.961 7.994 1.00 25.00 C ATOM 1709 O ALA A 101 -11.884 -4.858 6.779 1.00 25.00 O ATOM 1710 CB ALA A 101 -13.993 -4.641 9.185 1.00 25.00 C ATOM 0 H ALA A 101 -12.674 -5.833 10.880 1.00 25.00 H new ATOM 0 HA ALA A 101 -13.363 -6.418 8.181 1.00 25.00 H new ATOM 0 HB1 ALA A 101 -14.405 -4.189 8.283 1.00 25.00 H new ATOM 0 HB2 ALA A 101 -14.787 -5.151 9.730 1.00 25.00 H new ATOM 0 HB3 ALA A 101 -13.561 -3.864 9.816 1.00 25.00 H new ATOM 1716 N ALA A 102 -10.750 -4.522 8.676 1.00 25.00 N ATOM 1717 CA ALA A 102 -9.612 -3.895 8.018 1.00 25.00 C ATOM 1718 C ALA A 102 -8.757 -4.978 7.349 1.00 25.00 C ATOM 1719 O ALA A 102 -8.214 -4.759 6.275 1.00 25.00 O ATOM 1720 CB ALA A 102 -8.782 -3.096 9.043 1.00 25.00 C ATOM 0 H ALA A 102 -10.663 -4.589 9.690 1.00 25.00 H new ATOM 0 HA ALA A 102 -9.965 -3.201 7.255 1.00 25.00 H new ATOM 0 HB1 ALA A 102 -7.934 -2.631 8.541 1.00 25.00 H new ATOM 0 HB2 ALA A 102 -9.405 -2.323 9.493 1.00 25.00 H new ATOM 0 HB3 ALA A 102 -8.420 -3.768 9.821 1.00 25.00 H new ATOM 1726 N VAL A 103 -8.670 -6.152 7.969 1.00 25.00 N ATOM 1727 CA VAL A 103 -7.932 -7.280 7.387 1.00 25.00 C ATOM 1728 C VAL A 103 -8.577 -7.629 6.055 1.00 25.00 C ATOM 1729 O VAL A 103 -7.911 -7.647 5.023 1.00 25.00 O ATOM 1730 CB VAL A 103 -7.945 -8.551 8.323 1.00 25.00 C ATOM 1731 CG1 VAL A 103 -7.272 -9.748 7.646 1.00 25.00 C ATOM 1732 CG2 VAL A 103 -7.242 -8.257 9.660 1.00 25.00 C ATOM 0 H VAL A 103 -9.099 -6.351 8.873 1.00 25.00 H new ATOM 0 HA VAL A 103 -6.891 -6.983 7.261 1.00 25.00 H new ATOM 0 HB VAL A 103 -8.989 -8.798 8.515 1.00 25.00 H new ATOM 0 HG11 VAL A 103 -7.297 -10.607 8.317 1.00 25.00 H new ATOM 0 HG12 VAL A 103 -7.802 -9.991 6.725 1.00 25.00 H new ATOM 0 HG13 VAL A 103 -6.236 -9.500 7.414 1.00 25.00 H new ATOM 0 HG21 VAL A 103 -7.265 -9.149 10.287 1.00 25.00 H new ATOM 0 HG22 VAL A 103 -6.207 -7.972 9.472 1.00 25.00 H new ATOM 0 HG23 VAL A 103 -7.756 -7.442 10.170 1.00 25.00 H new ATOM 1742 N ALA A 104 -9.888 -7.840 6.080 1.00 25.00 N ATOM 1743 CA ALA A 104 -10.627 -8.212 4.878 1.00 25.00 C ATOM 1744 C ALA A 104 -10.531 -7.121 3.810 1.00 25.00 C ATOM 1745 O ALA A 104 -10.347 -7.405 2.634 1.00 25.00 O ATOM 1746 CB ALA A 104 -12.093 -8.487 5.236 1.00 25.00 C ATOM 0 H ALA A 104 -10.462 -7.760 6.920 1.00 25.00 H new ATOM 0 HA ALA A 104 -10.183 -9.118 4.466 1.00 25.00 H new ATOM 0 HB1 ALA A 104 -12.641 -8.764 4.336 1.00 25.00 H new ATOM 0 HB2 ALA A 104 -12.145 -9.302 5.958 1.00 25.00 H new ATOM 0 HB3 ALA A 104 -12.536 -7.590 5.669 1.00 25.00 H new ATOM 1752 N GLN A 105 -10.646 -5.866 4.221 1.00 25.00 N ATOM 1753 CA GLN A 105 -10.542 -4.770 3.267 1.00 25.00 C ATOM 1754 C GLN A 105 -9.160 -4.708 2.632 1.00 25.00 C ATOM 1755 O GLN A 105 -9.050 -4.425 1.450 1.00 25.00 O ATOM 1756 CB GLN A 105 -10.859 -3.429 3.930 1.00 25.00 C ATOM 1757 CG GLN A 105 -12.348 -3.106 3.917 1.00 25.00 C ATOM 1758 CD GLN A 105 -12.623 -1.655 4.228 1.00 25.00 C ATOM 1759 OE1 GLN A 105 -12.381 -0.783 3.415 1.00 25.00 O ATOM 1760 NE2 GLN A 105 -13.141 -1.392 5.395 1.00 25.00 N ATOM 0 H GLN A 105 -10.808 -5.584 5.188 1.00 25.00 H new ATOM 0 HA GLN A 105 -11.276 -4.963 2.484 1.00 25.00 H new ATOM 0 HB2 GLN A 105 -10.503 -3.444 4.960 1.00 25.00 H new ATOM 0 HB3 GLN A 105 -10.315 -2.636 3.417 1.00 25.00 H new ATOM 0 HG2 GLN A 105 -12.762 -3.350 2.939 1.00 25.00 H new ATOM 0 HG3 GLN A 105 -12.860 -3.735 4.645 1.00 25.00 H new ATOM 0 HE21 GLN A 105 -13.330 -2.149 6.051 1.00 25.00 H new ATOM 0 HE22 GLN A 105 -13.357 -0.429 5.652 1.00 25.00 H new ATOM 1769 N THR A 106 -8.103 -4.975 3.388 1.00 25.00 N ATOM 1770 CA THR A 106 -6.767 -4.897 2.816 1.00 25.00 C ATOM 1771 C THR A 106 -6.596 -6.021 1.806 1.00 25.00 C ATOM 1772 O THR A 106 -6.040 -5.810 0.736 1.00 25.00 O ATOM 1773 CB THR A 106 -5.673 -5.002 3.887 1.00 25.00 C ATOM 1774 OG1 THR A 106 -5.932 -4.068 4.932 1.00 25.00 O ATOM 1775 CG2 THR A 106 -4.317 -4.667 3.312 1.00 25.00 C ATOM 0 H THR A 106 -8.141 -5.240 4.372 1.00 25.00 H new ATOM 0 HA THR A 106 -6.662 -3.925 2.334 1.00 25.00 H new ATOM 0 HB THR A 106 -5.676 -6.026 4.261 1.00 25.00 H new ATOM 0 HG1 THR A 106 -6.715 -4.360 5.445 1.00 25.00 H new ATOM 0 HG21 THR A 106 -3.560 -4.749 4.092 1.00 25.00 H new ATOM 0 HG22 THR A 106 -4.083 -5.361 2.505 1.00 25.00 H new ATOM 0 HG23 THR A 106 -4.328 -3.649 2.923 1.00 25.00 H new ATOM 1783 N GLU A 107 -7.114 -7.200 2.121 1.00 25.00 N ATOM 1784 CA GLU A 107 -7.028 -8.336 1.205 1.00 25.00 C ATOM 1785 C GLU A 107 -7.709 -8.011 -0.118 1.00 25.00 C ATOM 1786 O GLU A 107 -7.181 -8.330 -1.171 1.00 25.00 O ATOM 1787 CB GLU A 107 -7.669 -9.583 1.827 1.00 25.00 C ATOM 1788 CG GLU A 107 -6.855 -10.156 2.967 1.00 25.00 C ATOM 1789 CD GLU A 107 -7.530 -11.337 3.653 1.00 25.00 C ATOM 1790 OE1 GLU A 107 -8.587 -11.149 4.289 1.00 25.00 O ATOM 1791 OE2 GLU A 107 -6.952 -12.450 3.608 1.00 25.00 O ATOM 0 H GLU A 107 -7.596 -7.398 2.998 1.00 25.00 H new ATOM 0 HA GLU A 107 -5.973 -8.539 1.018 1.00 25.00 H new ATOM 0 HB2 GLU A 107 -8.666 -9.331 2.189 1.00 25.00 H new ATOM 0 HB3 GLU A 107 -7.793 -10.344 1.057 1.00 25.00 H new ATOM 0 HG2 GLU A 107 -5.883 -10.472 2.588 1.00 25.00 H new ATOM 0 HG3 GLU A 107 -6.671 -9.373 3.703 1.00 25.00 H new ATOM 1798 N GLU A 108 -8.857 -7.352 -0.071 1.00 25.00 N ATOM 1799 CA GLU A 108 -9.582 -6.998 -1.294 1.00 25.00 C ATOM 1800 C GLU A 108 -8.903 -5.882 -2.095 1.00 25.00 C ATOM 1801 O GLU A 108 -8.863 -5.933 -3.320 1.00 25.00 O ATOM 1802 CB GLU A 108 -11.019 -6.597 -0.958 1.00 25.00 C ATOM 1803 CG GLU A 108 -11.886 -7.777 -0.511 1.00 25.00 C ATOM 1804 CD GLU A 108 -12.094 -8.801 -1.624 1.00 25.00 C ATOM 1805 OE1 GLU A 108 -11.253 -9.724 -1.767 1.00 25.00 O ATOM 1806 OE2 GLU A 108 -13.091 -8.681 -2.362 1.00 25.00 O ATOM 0 H GLU A 108 -9.309 -7.051 0.792 1.00 25.00 H new ATOM 0 HA GLU A 108 -9.580 -7.887 -1.925 1.00 25.00 H new ATOM 0 HB2 GLU A 108 -11.004 -5.846 -0.168 1.00 25.00 H new ATOM 0 HB3 GLU A 108 -11.473 -6.132 -1.833 1.00 25.00 H new ATOM 0 HG2 GLU A 108 -11.418 -8.264 0.345 1.00 25.00 H new ATOM 0 HG3 GLU A 108 -12.855 -7.406 -0.176 1.00 25.00 H new ATOM 1813 N ILE A 109 -8.332 -4.896 -1.416 1.00 25.00 N ATOM 1814 CA ILE A 109 -7.623 -3.806 -2.105 1.00 25.00 C ATOM 1815 C ILE A 109 -6.397 -4.390 -2.814 1.00 25.00 C ATOM 1816 O ILE A 109 -6.054 -3.995 -3.932 1.00 25.00 O ATOM 1817 CB ILE A 109 -7.204 -2.683 -1.099 1.00 25.00 C ATOM 1818 CG1 ILE A 109 -8.469 -1.966 -0.578 1.00 25.00 C ATOM 1819 CG2 ILE A 109 -6.252 -1.641 -1.768 1.00 25.00 C ATOM 1820 CD1 ILE A 109 -8.267 -1.192 0.724 1.00 25.00 C ATOM 0 H ILE A 109 -8.341 -4.821 -0.399 1.00 25.00 H new ATOM 0 HA ILE A 109 -8.287 -3.348 -2.839 1.00 25.00 H new ATOM 0 HB ILE A 109 -6.667 -3.149 -0.273 1.00 25.00 H new ATOM 0 HG12 ILE A 109 -8.822 -1.277 -1.345 1.00 25.00 H new ATOM 0 HG13 ILE A 109 -9.255 -2.706 -0.428 1.00 25.00 H new ATOM 0 HG21 ILE A 109 -5.981 -0.876 -1.040 1.00 25.00 H new ATOM 0 HG22 ILE A 109 -5.351 -2.144 -2.118 1.00 25.00 H new ATOM 0 HG23 ILE A 109 -6.759 -1.175 -2.613 1.00 25.00 H new ATOM 0 HD11 ILE A 109 -9.205 -0.721 1.016 1.00 25.00 H new ATOM 0 HD12 ILE A 109 -7.945 -1.877 1.508 1.00 25.00 H new ATOM 0 HD13 ILE A 109 -7.506 -0.425 0.577 1.00 25.00 H new ATOM 1832 N LEU A 110 -5.778 -5.382 -2.194 1.00 25.00 N ATOM 1833 CA LEU A 110 -4.617 -6.053 -2.771 1.00 25.00 C ATOM 1834 C LEU A 110 -4.928 -6.782 -4.079 1.00 25.00 C ATOM 1835 O LEU A 110 -4.032 -6.988 -4.889 1.00 25.00 O ATOM 1836 CB LEU A 110 -4.069 -7.059 -1.758 1.00 25.00 C ATOM 1837 CG LEU A 110 -2.851 -6.637 -0.921 1.00 25.00 C ATOM 1838 CD1 LEU A 110 -2.891 -5.195 -0.385 1.00 25.00 C ATOM 1839 CD2 LEU A 110 -2.716 -7.615 0.251 1.00 25.00 C ATOM 0 H LEU A 110 -6.061 -5.745 -1.284 1.00 25.00 H new ATOM 0 HA LEU A 110 -3.884 -5.280 -3.003 1.00 25.00 H new ATOM 0 HB2 LEU A 110 -4.875 -7.317 -1.071 1.00 25.00 H new ATOM 0 HB3 LEU A 110 -3.807 -7.969 -2.297 1.00 25.00 H new ATOM 0 HG LEU A 110 -1.991 -6.666 -1.590 1.00 25.00 H new ATOM 0 HD11 LEU A 110 -1.988 -4.996 0.192 1.00 25.00 H new ATOM 0 HD12 LEU A 110 -2.949 -4.498 -1.221 1.00 25.00 H new ATOM 0 HD13 LEU A 110 -3.765 -5.069 0.254 1.00 25.00 H new ATOM 0 HD21 LEU A 110 -1.857 -7.336 0.861 1.00 25.00 H new ATOM 0 HD22 LEU A 110 -3.620 -7.580 0.860 1.00 25.00 H new ATOM 0 HD23 LEU A 110 -2.575 -8.626 -0.133 1.00 25.00 H new ATOM 1851 N LYS A 111 -6.186 -7.137 -4.313 1.00 25.00 N ATOM 1852 CA LYS A 111 -6.570 -7.842 -5.549 1.00 25.00 C ATOM 1853 C LYS A 111 -6.477 -6.920 -6.757 1.00 25.00 C ATOM 1854 O LYS A 111 -6.374 -7.374 -7.887 1.00 25.00 O ATOM 1855 CB LYS A 111 -8.008 -8.376 -5.457 1.00 25.00 C ATOM 1856 CG LYS A 111 -8.312 -9.203 -4.209 1.00 25.00 C ATOM 1857 CD LYS A 111 -7.578 -10.542 -4.167 1.00 25.00 C ATOM 1858 CE LYS A 111 -7.675 -11.172 -2.775 1.00 25.00 C ATOM 1859 NZ LYS A 111 -9.085 -11.386 -2.303 1.00 25.00 N ATOM 0 H LYS A 111 -6.959 -6.954 -3.673 1.00 25.00 H new ATOM 0 HA LYS A 111 -5.876 -8.674 -5.668 1.00 25.00 H new ATOM 0 HB2 LYS A 111 -8.696 -7.531 -5.491 1.00 25.00 H new ATOM 0 HB3 LYS A 111 -8.210 -8.987 -6.337 1.00 25.00 H new ATOM 0 HG2 LYS A 111 -8.044 -8.624 -3.326 1.00 25.00 H new ATOM 0 HG3 LYS A 111 -9.385 -9.385 -4.157 1.00 25.00 H new ATOM 0 HD2 LYS A 111 -8.004 -11.219 -4.908 1.00 25.00 H new ATOM 0 HD3 LYS A 111 -6.531 -10.396 -4.433 1.00 25.00 H new ATOM 0 HE2 LYS A 111 -7.155 -12.130 -2.783 1.00 25.00 H new ATOM 0 HE3 LYS A 111 -7.156 -10.533 -2.060 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 -9.073 -11.861 -1.378 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 -9.565 -10.467 -2.214 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 -9.595 -11.978 -2.989 1.00 25.00 H new