USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=18 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 151:sc= 0 USER MOD Set 1.2: A 106 THR OG1 : rot 85:sc= 1.24 USER MOD Set 2.1: A 8 HIS : no HD1:sc= -0.359 K(o=0.34,f=-0.36) USER MOD Set 2.2: A 105 GLN : amide:sc= 0.696 K(o=0.34,f=-2.3!) USER MOD Set 3.1: A 21 THR OG1 : rot -33:sc= 0.111 USER MOD Set 3.2: A 96 ASN : amide:sc= -0.126 K(o=-0.02,f=-1.9) USER MOD Set 3.3: A 98 GLN : amide:sc=-0.00537 K(o=-0.02,f=-0.89) USER MOD Set 4.1: A 84 ASN : amide:sc= 1.6 K(o=2.7,f=-2.7) USER MOD Set 4.2: A 87 LYS NZ :NH3+ 173:sc= 1.11 (180deg=0) USER MOD Set 5.1: A 64 GLN : amide:sc= 0.0908 K(o=0.19,f=-0.38) USER MOD Set 5.2: A 68 ASN : amide:sc= 0.0961 K(o=0.19,f=-0.96) USER MOD Set 6.1: A 42 CYS SG : rot -75:sc= -0.21 USER MOD Set 6.2: A 62 CYS SG : rot -148:sc= 0.00187 USER MOD Set 7.1: A 17 GLN : amide:sc= 0.899 K(o=1.9,f=-4.2!) USER MOD Set 7.2: A 20 LYS NZ :NH3+ 154:sc= 1.03 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot -48:sc= 0.867 USER MOD Single : A 7 GLN : amide:sc= 0.517 K(o=0.52,f=0) USER MOD Single : A 14 GLN : amide:sc= 0.231 X(o=0.23,f=-0.19) USER MOD Single : A 16 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.9) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0165 USER MOD Single : A 47 GLN : amide:sc= -0.0159 K(o=-0.016,f=-1.2) USER MOD Single : A 50 THR OG1 : rot 72:sc= 0.734 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 70:sc= 0.947 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -98:sc= 0.119 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 161:sc= 1.22 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 170:sc= 0.313 (180deg=0.103) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 158:sc= 1.07 (180deg=0.624) USER MOD ----------------------------------------------------------------- ATOM 43 N GLY A 2 0.813 0.740 2.066 1.00 25.00 N ATOM 44 CA GLY A 2 0.433 1.533 3.228 1.00 25.00 C ATOM 45 C GLY A 2 0.041 2.943 2.845 1.00 25.00 C ATOM 46 O GLY A 2 -0.908 3.512 3.398 1.00 25.00 O ATOM 0 HA2 GLY A 2 -0.400 1.051 3.740 1.00 25.00 H new ATOM 0 HA3 GLY A 2 1.264 1.566 3.933 1.00 25.00 H new ATOM 50 N GLN A 3 0.737 3.505 1.868 1.00 25.00 N ATOM 51 CA GLN A 3 0.435 4.852 1.406 1.00 25.00 C ATOM 52 C GLN A 3 -0.972 4.937 0.828 1.00 25.00 C ATOM 53 O GLN A 3 -1.693 5.894 1.104 1.00 25.00 O ATOM 54 CB GLN A 3 1.451 5.288 0.351 1.00 25.00 C ATOM 55 CG GLN A 3 2.800 5.681 0.936 1.00 25.00 C ATOM 56 CD GLN A 3 2.804 7.096 1.466 1.00 25.00 C ATOM 57 OE1 GLN A 3 2.505 7.344 2.626 1.00 25.00 O ATOM 58 NE2 GLN A 3 3.132 8.036 0.617 1.00 25.00 N ATOM 0 H GLN A 3 1.511 3.052 1.382 1.00 25.00 H new ATOM 0 HA GLN A 3 0.494 5.520 2.266 1.00 25.00 H new ATOM 0 HB2 GLN A 3 1.595 4.476 -0.361 1.00 25.00 H new ATOM 0 HB3 GLN A 3 1.045 6.132 -0.206 1.00 25.00 H new ATOM 0 HG2 GLN A 3 3.059 4.993 1.741 1.00 25.00 H new ATOM 0 HG3 GLN A 3 3.569 5.580 0.170 1.00 25.00 H new ATOM 0 HE21 GLN A 3 3.376 7.793 -0.343 1.00 25.00 H new ATOM 0 HE22 GLN A 3 3.144 9.011 0.915 1.00 25.00 H new ATOM 67 N GLU A 4 -1.387 3.953 0.045 1.00 25.00 N ATOM 68 CA GLU A 4 -2.725 4.004 -0.543 1.00 25.00 C ATOM 69 C GLU A 4 -3.779 3.638 0.500 1.00 25.00 C ATOM 70 O GLU A 4 -4.869 4.186 0.488 1.00 25.00 O ATOM 71 CB GLU A 4 -2.827 3.141 -1.816 1.00 25.00 C ATOM 72 CG GLU A 4 -2.992 1.632 -1.626 1.00 25.00 C ATOM 73 CD GLU A 4 -4.262 1.112 -2.278 1.00 25.00 C ATOM 74 OE1 GLU A 4 -5.371 1.503 -1.837 1.00 25.00 O ATOM 75 OE2 GLU A 4 -4.151 0.304 -3.226 1.00 25.00 O ATOM 0 H GLU A 4 -0.837 3.128 -0.196 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.920 5.028 -0.861 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -3.672 3.502 -2.402 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.930 3.310 -2.412 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -2.130 1.117 -2.050 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -3.010 1.400 -0.561 1.00 25.00 H new ATOM 82 N LEU A 5 -3.425 2.795 1.463 1.00 25.00 N ATOM 83 CA LEU A 5 -4.356 2.413 2.526 1.00 25.00 C ATOM 84 C LEU A 5 -4.756 3.630 3.364 1.00 25.00 C ATOM 85 O LEU A 5 -5.924 3.791 3.709 1.00 25.00 O ATOM 86 CB LEU A 5 -3.735 1.329 3.418 1.00 25.00 C ATOM 87 CG LEU A 5 -3.577 -0.077 2.803 1.00 25.00 C ATOM 88 CD1 LEU A 5 -2.826 -0.989 3.775 1.00 25.00 C ATOM 89 CD2 LEU A 5 -4.916 -0.709 2.450 1.00 25.00 C ATOM 0 H LEU A 5 -2.504 2.362 1.533 1.00 25.00 H new ATOM 0 HA LEU A 5 -5.256 2.009 2.062 1.00 25.00 H new ATOM 0 HB2 LEU A 5 -2.750 1.673 3.734 1.00 25.00 H new ATOM 0 HB3 LEU A 5 -4.345 1.239 4.317 1.00 25.00 H new ATOM 0 HG LEU A 5 -3.011 0.038 1.879 1.00 25.00 H new ATOM 0 HD11 LEU A 5 -2.718 -1.980 3.334 1.00 25.00 H new ATOM 0 HD12 LEU A 5 -1.839 -0.572 3.977 1.00 25.00 H new ATOM 0 HD13 LEU A 5 -3.385 -1.066 4.708 1.00 25.00 H new ATOM 0 HD21 LEU A 5 -4.750 -1.697 2.021 1.00 25.00 H new ATOM 0 HD22 LEU A 5 -5.523 -0.802 3.350 1.00 25.00 H new ATOM 0 HD23 LEU A 5 -5.435 -0.081 1.726 1.00 25.00 H new ATOM 101 N SER A 6 -3.809 4.524 3.634 1.00 25.00 N ATOM 102 CA SER A 6 -4.109 5.780 4.337 1.00 25.00 C ATOM 103 C SER A 6 -4.983 6.750 3.533 1.00 25.00 C ATOM 104 O SER A 6 -5.529 7.697 4.094 1.00 25.00 O ATOM 105 CB SER A 6 -2.812 6.504 4.710 1.00 25.00 C ATOM 106 OG SER A 6 -2.195 7.096 3.578 1.00 25.00 O ATOM 0 H SER A 6 -2.828 4.408 3.380 1.00 25.00 H new ATOM 0 HA SER A 6 -4.671 5.487 5.224 1.00 25.00 H new ATOM 0 HB2 SER A 6 -3.026 7.274 5.452 1.00 25.00 H new ATOM 0 HB3 SER A 6 -2.122 5.798 5.173 1.00 25.00 H new ATOM 0 HG SER A 6 -2.148 6.441 2.851 1.00 25.00 H new ATOM 112 N GLN A 7 -5.105 6.524 2.231 1.00 25.00 N ATOM 113 CA GLN A 7 -5.914 7.384 1.359 1.00 25.00 C ATOM 114 C GLN A 7 -7.231 6.690 0.987 1.00 25.00 C ATOM 115 O GLN A 7 -8.165 7.318 0.493 1.00 25.00 O ATOM 116 CB GLN A 7 -5.113 7.725 0.096 1.00 25.00 C ATOM 117 CG GLN A 7 -3.837 8.521 0.393 1.00 25.00 C ATOM 118 CD GLN A 7 -3.001 8.773 -0.845 1.00 25.00 C ATOM 119 OE1 GLN A 7 -3.202 9.746 -1.561 1.00 25.00 O ATOM 120 NE2 GLN A 7 -2.043 7.917 -1.083 1.00 25.00 N ATOM 0 H GLN A 7 -4.653 5.748 1.748 1.00 25.00 H new ATOM 0 HA GLN A 7 -6.156 8.304 1.891 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -4.847 6.802 -0.419 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -5.743 8.299 -0.583 1.00 25.00 H new ATOM 0 HG2 GLN A 7 -4.107 9.476 0.844 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -3.239 7.980 1.126 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -1.907 7.118 -0.463 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -1.431 8.047 -1.889 1.00 25.00 H new ATOM 129 N HIS A 8 -7.299 5.391 1.243 1.00 25.00 N ATOM 130 CA HIS A 8 -8.490 4.584 0.964 1.00 25.00 C ATOM 131 C HIS A 8 -9.465 4.825 2.096 1.00 25.00 C ATOM 132 O HIS A 8 -9.456 4.098 3.073 1.00 25.00 O ATOM 133 CB HIS A 8 -8.092 3.097 0.895 1.00 25.00 C ATOM 134 CG HIS A 8 -9.113 2.213 0.243 1.00 25.00 C ATOM 135 ND1 HIS A 8 -10.091 1.495 0.943 1.00 25.00 N ATOM 136 CD2 HIS A 8 -9.304 1.869 -1.058 1.00 25.00 C ATOM 137 CE1 HIS A 8 -10.805 0.787 0.077 1.00 25.00 C ATOM 138 NE2 HIS A 8 -10.350 1.003 -1.129 1.00 25.00 N ATOM 0 H HIS A 8 -6.530 4.861 1.652 1.00 25.00 H new ATOM 0 HA HIS A 8 -8.945 4.856 0.011 1.00 25.00 H new ATOM 0 HB2 HIS A 8 -7.152 3.010 0.350 1.00 25.00 H new ATOM 0 HB3 HIS A 8 -7.908 2.735 1.907 1.00 25.00 H new ATOM 0 HD2 HIS A 8 -8.722 2.224 -1.896 1.00 25.00 H new ATOM 0 HE1 HIS A 8 -11.630 0.137 0.328 1.00 25.00 H new ATOM 0 HE2 HIS A 8 -10.720 0.589 -1.985 1.00 25.00 H new ATOM 146 N GLU A 9 -10.265 5.875 2.013 1.00 25.00 N ATOM 147 CA GLU A 9 -11.077 6.304 3.157 1.00 25.00 C ATOM 148 C GLU A 9 -11.944 5.222 3.811 1.00 25.00 C ATOM 149 O GLU A 9 -12.103 5.230 5.019 1.00 25.00 O ATOM 150 CB GLU A 9 -11.921 7.525 2.802 1.00 25.00 C ATOM 151 CG GLU A 9 -11.067 8.777 2.626 1.00 25.00 C ATOM 152 CD GLU A 9 -11.880 10.056 2.732 1.00 25.00 C ATOM 153 OE1 GLU A 9 -12.749 10.291 1.870 1.00 25.00 O ATOM 154 OE2 GLU A 9 -11.650 10.825 3.695 1.00 25.00 O ATOM 0 H GLU A 9 -10.375 6.447 1.176 1.00 25.00 H new ATOM 0 HA GLU A 9 -10.342 6.562 3.919 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -12.472 7.330 1.882 1.00 25.00 H new ATOM 0 HB3 GLU A 9 -12.659 7.696 3.586 1.00 25.00 H new ATOM 0 HG2 GLU A 9 -10.281 8.786 3.382 1.00 25.00 H new ATOM 0 HG3 GLU A 9 -10.574 8.743 1.654 1.00 25.00 H new ATOM 161 N ARG A 10 -12.425 4.239 3.060 1.00 25.00 N ATOM 162 CA ARG A 10 -13.191 3.139 3.675 1.00 25.00 C ATOM 163 C ARG A 10 -12.332 2.215 4.546 1.00 25.00 C ATOM 164 O ARG A 10 -12.825 1.561 5.454 1.00 25.00 O ATOM 165 CB ARG A 10 -13.905 2.308 2.614 1.00 25.00 C ATOM 166 CG ARG A 10 -14.968 3.094 1.849 1.00 25.00 C ATOM 167 CD ARG A 10 -15.972 2.153 1.203 1.00 25.00 C ATOM 168 NE ARG A 10 -16.832 1.529 2.224 1.00 25.00 N ATOM 169 CZ ARG A 10 -17.608 0.467 2.033 1.00 25.00 C ATOM 170 NH1 ARG A 10 -17.679 -0.154 0.880 1.00 25.00 N ATOM 171 NH2 ARG A 10 -18.319 0.019 3.028 1.00 25.00 N ATOM 0 H ARG A 10 -12.308 4.171 2.049 1.00 25.00 H new ATOM 0 HA ARG A 10 -13.922 3.619 4.326 1.00 25.00 H new ATOM 0 HB2 ARG A 10 -13.169 1.922 1.908 1.00 25.00 H new ATOM 0 HB3 ARG A 10 -14.372 1.446 3.090 1.00 25.00 H new ATOM 0 HG2 ARG A 10 -15.484 3.773 2.528 1.00 25.00 H new ATOM 0 HG3 ARG A 10 -14.493 3.708 1.084 1.00 25.00 H new ATOM 0 HD2 ARG A 10 -16.586 2.702 0.489 1.00 25.00 H new ATOM 0 HD3 ARG A 10 -15.446 1.381 0.642 1.00 25.00 H new ATOM 0 HE ARG A 10 -16.832 1.947 3.155 1.00 25.00 H new ATOM 0 HH11 ARG A 10 -17.126 0.175 0.089 1.00 25.00 H new ATOM 0 HH12 ARG A 10 -18.287 -0.966 0.775 1.00 25.00 H new ATOM 0 HH21 ARG A 10 -18.275 0.482 3.936 1.00 25.00 H new ATOM 0 HH22 ARG A 10 -18.920 -0.795 2.900 1.00 25.00 H new ATOM 185 N TYR A 11 -11.037 2.188 4.283 1.00 25.00 N ATOM 186 CA TYR A 11 -10.098 1.399 5.079 1.00 25.00 C ATOM 187 C TYR A 11 -9.696 2.256 6.268 1.00 25.00 C ATOM 188 O TYR A 11 -9.637 1.792 7.410 1.00 25.00 O ATOM 189 CB TYR A 11 -8.872 1.044 4.238 1.00 25.00 C ATOM 190 CG TYR A 11 -7.874 0.176 4.952 1.00 25.00 C ATOM 191 CD1 TYR A 11 -8.068 -1.213 5.042 1.00 25.00 C ATOM 192 CD2 TYR A 11 -6.715 0.732 5.525 1.00 25.00 C ATOM 193 CE1 TYR A 11 -7.122 -2.035 5.689 1.00 25.00 C ATOM 194 CE2 TYR A 11 -5.758 -0.095 6.169 1.00 25.00 C ATOM 195 CZ TYR A 11 -5.973 -1.473 6.242 1.00 25.00 C ATOM 196 OH TYR A 11 -5.053 -2.268 6.872 1.00 25.00 O ATOM 0 H TYR A 11 -10.604 2.706 3.519 1.00 25.00 H new ATOM 0 HA TYR A 11 -10.552 0.466 5.413 1.00 25.00 H new ATOM 0 HB2 TYR A 11 -9.200 0.534 3.332 1.00 25.00 H new ATOM 0 HB3 TYR A 11 -8.380 1.965 3.925 1.00 25.00 H new ATOM 0 HD1 TYR A 11 -8.953 -1.657 4.610 1.00 25.00 H new ATOM 0 HD2 TYR A 11 -6.552 1.798 5.474 1.00 25.00 H new ATOM 0 HE1 TYR A 11 -7.288 -3.100 5.756 1.00 25.00 H new ATOM 0 HE2 TYR A 11 -4.868 0.339 6.600 1.00 25.00 H new ATOM 0 HH TYR A 11 -4.162 -1.871 6.783 1.00 25.00 H new ATOM 206 N VAL A 12 -9.504 3.540 5.991 1.00 25.00 N ATOM 207 CA VAL A 12 -9.233 4.537 7.028 1.00 25.00 C ATOM 208 C VAL A 12 -10.350 4.505 8.076 1.00 25.00 C ATOM 209 O VAL A 12 -10.068 4.623 9.252 1.00 25.00 O ATOM 210 CB VAL A 12 -9.100 5.971 6.409 1.00 25.00 C ATOM 211 CG1 VAL A 12 -8.875 7.056 7.472 1.00 25.00 C ATOM 212 CG2 VAL A 12 -7.935 6.015 5.424 1.00 25.00 C ATOM 0 H VAL A 12 -9.531 3.922 5.046 1.00 25.00 H new ATOM 0 HA VAL A 12 -8.285 4.294 7.507 1.00 25.00 H new ATOM 0 HB VAL A 12 -10.044 6.176 5.904 1.00 25.00 H new ATOM 0 HG11 VAL A 12 -8.790 8.028 6.987 1.00 25.00 H new ATOM 0 HG12 VAL A 12 -9.717 7.068 8.164 1.00 25.00 H new ATOM 0 HG13 VAL A 12 -7.958 6.843 8.021 1.00 25.00 H new ATOM 0 HG21 VAL A 12 -7.854 7.016 5.001 1.00 25.00 H new ATOM 0 HG22 VAL A 12 -7.010 5.764 5.943 1.00 25.00 H new ATOM 0 HG23 VAL A 12 -8.108 5.296 4.623 1.00 25.00 H new ATOM 222 N GLU A 13 -11.596 4.287 7.672 1.00 25.00 N ATOM 223 CA GLU A 13 -12.718 4.204 8.622 1.00 25.00 C ATOM 224 C GLU A 13 -12.472 3.197 9.745 1.00 25.00 C ATOM 225 O GLU A 13 -12.614 3.531 10.922 1.00 25.00 O ATOM 226 CB GLU A 13 -14.020 3.845 7.900 1.00 25.00 C ATOM 227 CG GLU A 13 -14.682 5.030 7.218 1.00 25.00 C ATOM 228 CD GLU A 13 -15.977 4.653 6.512 1.00 25.00 C ATOM 229 OE1 GLU A 13 -15.953 3.819 5.574 1.00 25.00 O ATOM 230 OE2 GLU A 13 -17.020 5.223 6.885 1.00 25.00 O ATOM 0 H GLU A 13 -11.863 4.164 6.695 1.00 25.00 H new ATOM 0 HA GLU A 13 -12.804 5.193 9.073 1.00 25.00 H new ATOM 0 HB2 GLU A 13 -13.813 3.077 7.155 1.00 25.00 H new ATOM 0 HB3 GLU A 13 -14.717 3.413 8.618 1.00 25.00 H new ATOM 0 HG2 GLU A 13 -14.889 5.802 7.959 1.00 25.00 H new ATOM 0 HG3 GLU A 13 -13.990 5.460 6.494 1.00 25.00 H new ATOM 237 N GLN A 14 -12.054 1.990 9.397 1.00 25.00 N ATOM 238 CA GLN A 14 -11.760 0.972 10.406 1.00 25.00 C ATOM 239 C GLN A 14 -10.497 1.334 11.170 1.00 25.00 C ATOM 240 O GLN A 14 -10.403 1.165 12.389 1.00 25.00 O ATOM 241 CB GLN A 14 -11.570 -0.392 9.736 1.00 25.00 C ATOM 242 CG GLN A 14 -12.830 -0.927 9.072 1.00 25.00 C ATOM 243 CD GLN A 14 -13.998 -1.019 10.038 1.00 25.00 C ATOM 244 OE1 GLN A 14 -15.023 -0.400 9.838 1.00 25.00 O ATOM 245 NE2 GLN A 14 -13.840 -1.783 11.087 1.00 25.00 N ATOM 0 H GLN A 14 -11.910 1.688 8.433 1.00 25.00 H new ATOM 0 HA GLN A 14 -12.599 0.924 11.100 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -10.781 -0.313 8.988 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -11.230 -1.110 10.483 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -13.101 -0.279 8.238 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -12.627 -1.914 8.656 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -12.965 -2.289 11.223 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -14.592 -1.874 11.770 1.00 25.00 H new ATOM 254 N LEU A 15 -9.518 1.850 10.450 1.00 25.00 N ATOM 255 CA LEU A 15 -8.235 2.205 11.043 1.00 25.00 C ATOM 256 C LEU A 15 -8.343 3.365 12.036 1.00 25.00 C ATOM 257 O LEU A 15 -7.517 3.473 12.928 1.00 25.00 O ATOM 258 CB LEU A 15 -7.210 2.507 9.950 1.00 25.00 C ATOM 259 CG LEU A 15 -6.343 1.353 9.404 1.00 25.00 C ATOM 260 CD1 LEU A 15 -5.061 1.237 10.226 1.00 25.00 C ATOM 261 CD2 LEU A 15 -7.056 -0.011 9.370 1.00 25.00 C ATOM 0 H LEU A 15 -9.584 2.035 9.449 1.00 25.00 H new ATOM 0 HA LEU A 15 -7.895 1.343 11.616 1.00 25.00 H new ATOM 0 HB2 LEU A 15 -7.745 2.945 9.107 1.00 25.00 H new ATOM 0 HB3 LEU A 15 -6.536 3.274 10.332 1.00 25.00 H new ATOM 0 HG LEU A 15 -6.122 1.608 8.368 1.00 25.00 H new ATOM 0 HD11 LEU A 15 -4.452 0.421 9.837 1.00 25.00 H new ATOM 0 HD12 LEU A 15 -4.502 2.170 10.161 1.00 25.00 H new ATOM 0 HD13 LEU A 15 -5.313 1.037 11.267 1.00 25.00 H new ATOM 0 HD21 LEU A 15 -6.378 -0.766 8.974 1.00 25.00 H new ATOM 0 HD22 LEU A 15 -7.358 -0.289 10.380 1.00 25.00 H new ATOM 0 HD23 LEU A 15 -7.938 0.055 8.733 1.00 25.00 H new ATOM 273 N LYS A 16 -9.366 4.209 11.920 1.00 25.00 N ATOM 274 CA LYS A 16 -9.592 5.291 12.899 1.00 25.00 C ATOM 275 C LYS A 16 -9.685 4.681 14.291 1.00 25.00 C ATOM 276 O LYS A 16 -9.189 5.244 15.266 1.00 25.00 O ATOM 277 CB LYS A 16 -10.901 6.045 12.608 1.00 25.00 C ATOM 278 CG LYS A 16 -10.861 6.983 11.398 1.00 25.00 C ATOM 279 CD LYS A 16 -12.283 7.293 10.896 1.00 25.00 C ATOM 280 CE LYS A 16 -12.261 7.951 9.506 1.00 25.00 C ATOM 281 NZ LYS A 16 -13.650 8.132 8.927 1.00 25.00 N ATOM 0 H LYS A 16 -10.052 4.172 11.166 1.00 25.00 H new ATOM 0 HA LYS A 16 -8.762 5.994 12.831 1.00 25.00 H new ATOM 0 HB2 LYS A 16 -11.695 5.315 12.455 1.00 25.00 H new ATOM 0 HB3 LYS A 16 -11.169 6.627 13.490 1.00 25.00 H new ATOM 0 HG2 LYS A 16 -10.356 7.910 11.668 1.00 25.00 H new ATOM 0 HG3 LYS A 16 -10.280 6.526 10.597 1.00 25.00 H new ATOM 0 HD2 LYS A 16 -12.864 6.372 10.854 1.00 25.00 H new ATOM 0 HD3 LYS A 16 -12.784 7.953 11.604 1.00 25.00 H new ATOM 0 HE2 LYS A 16 -11.770 8.922 9.575 1.00 25.00 H new ATOM 0 HE3 LYS A 16 -11.665 7.340 8.828 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 -13.603 8.082 7.889 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 -14.275 7.380 9.282 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 -14.027 9.058 9.212 1.00 25.00 H new ATOM 295 N GLN A 17 -10.314 3.519 14.371 1.00 25.00 N ATOM 296 CA GLN A 17 -10.451 2.814 15.635 1.00 25.00 C ATOM 297 C GLN A 17 -9.165 2.054 15.960 1.00 25.00 C ATOM 298 O GLN A 17 -8.726 2.054 17.098 1.00 25.00 O ATOM 299 CB GLN A 17 -11.640 1.848 15.575 1.00 25.00 C ATOM 300 CG GLN A 17 -12.993 2.518 15.305 1.00 25.00 C ATOM 301 CD GLN A 17 -13.552 3.232 16.525 1.00 25.00 C ATOM 302 OE1 GLN A 17 -13.044 4.266 16.957 1.00 25.00 O ATOM 303 NE2 GLN A 17 -14.607 2.693 17.078 1.00 25.00 N ATOM 0 H GLN A 17 -10.738 3.044 13.574 1.00 25.00 H new ATOM 0 HA GLN A 17 -10.632 3.543 16.425 1.00 25.00 H new ATOM 0 HB2 GLN A 17 -11.453 1.110 14.795 1.00 25.00 H new ATOM 0 HB3 GLN A 17 -11.699 1.306 16.519 1.00 25.00 H new ATOM 0 HG2 GLN A 17 -12.883 3.233 14.490 1.00 25.00 H new ATOM 0 HG3 GLN A 17 -13.707 1.764 14.973 1.00 25.00 H new ATOM 0 HE21 GLN A 17 -15.002 1.835 16.693 1.00 25.00 H new ATOM 0 HE22 GLN A 17 -15.035 3.131 17.894 1.00 25.00 H new ATOM 312 N ALA A 18 -8.535 1.451 14.959 1.00 25.00 N ATOM 313 CA ALA A 18 -7.302 0.685 15.179 1.00 25.00 C ATOM 314 C ALA A 18 -6.134 1.553 15.707 1.00 25.00 C ATOM 315 O ALA A 18 -5.391 1.129 16.589 1.00 25.00 O ATOM 316 CB ALA A 18 -6.890 -0.023 13.887 1.00 25.00 C ATOM 0 H ALA A 18 -8.851 1.474 13.989 1.00 25.00 H new ATOM 0 HA ALA A 18 -7.520 -0.050 15.954 1.00 25.00 H new ATOM 0 HB1 ALA A 18 -5.974 -0.589 14.058 1.00 25.00 H new ATOM 0 HB2 ALA A 18 -7.684 -0.702 13.575 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -6.718 0.717 13.105 1.00 25.00 H new ATOM 322 N LEU A 19 -5.989 2.765 15.186 1.00 25.00 N ATOM 323 CA LEU A 19 -4.942 3.687 15.653 1.00 25.00 C ATOM 324 C LEU A 19 -5.202 4.019 17.124 1.00 25.00 C ATOM 325 O LEU A 19 -4.287 4.115 17.938 1.00 25.00 O ATOM 326 CB LEU A 19 -4.966 5.005 14.841 1.00 25.00 C ATOM 327 CG LEU A 19 -4.057 5.210 13.604 1.00 25.00 C ATOM 328 CD1 LEU A 19 -2.587 5.194 13.992 1.00 25.00 C ATOM 329 CD2 LEU A 19 -4.312 4.205 12.499 1.00 25.00 C ATOM 0 H LEU A 19 -6.578 3.139 14.442 1.00 25.00 H new ATOM 0 HA LEU A 19 -3.971 3.209 15.524 1.00 25.00 H new ATOM 0 HB2 LEU A 19 -5.993 5.153 14.507 1.00 25.00 H new ATOM 0 HB3 LEU A 19 -4.738 5.811 15.539 1.00 25.00 H new ATOM 0 HG LEU A 19 -4.315 6.192 13.208 1.00 25.00 H new ATOM 0 HD11 LEU A 19 -1.974 5.340 13.102 1.00 25.00 H new ATOM 0 HD12 LEU A 19 -2.390 5.995 14.704 1.00 25.00 H new ATOM 0 HD13 LEU A 19 -2.341 4.235 14.448 1.00 25.00 H new ATOM 0 HD21 LEU A 19 -3.642 4.406 11.663 1.00 25.00 H new ATOM 0 HD22 LEU A 19 -4.132 3.198 12.875 1.00 25.00 H new ATOM 0 HD23 LEU A 19 -5.346 4.288 12.163 1.00 25.00 H new ATOM 341 N LYS A 20 -6.474 4.210 17.440 1.00 25.00 N ATOM 342 CA LYS A 20 -6.912 4.618 18.775 1.00 25.00 C ATOM 343 C LYS A 20 -6.824 3.505 19.814 1.00 25.00 C ATOM 344 O LYS A 20 -6.399 3.739 20.940 1.00 25.00 O ATOM 345 CB LYS A 20 -8.368 5.084 18.658 1.00 25.00 C ATOM 346 CG LYS A 20 -8.979 5.688 19.919 1.00 25.00 C ATOM 347 CD LYS A 20 -10.512 5.707 19.818 1.00 25.00 C ATOM 348 CE LYS A 20 -11.015 6.604 18.679 1.00 25.00 C ATOM 349 NZ LYS A 20 -12.513 6.566 18.587 1.00 25.00 N ATOM 0 H LYS A 20 -7.239 4.087 16.777 1.00 25.00 H new ATOM 0 HA LYS A 20 -6.247 5.409 19.120 1.00 25.00 H new ATOM 0 HB2 LYS A 20 -8.429 5.822 17.859 1.00 25.00 H new ATOM 0 HB3 LYS A 20 -8.978 4.233 18.354 1.00 25.00 H new ATOM 0 HG2 LYS A 20 -8.673 5.110 20.791 1.00 25.00 H new ATOM 0 HG3 LYS A 20 -8.605 6.702 20.062 1.00 25.00 H new ATOM 0 HD2 LYS A 20 -10.875 4.691 19.663 1.00 25.00 H new ATOM 0 HD3 LYS A 20 -10.931 6.055 20.762 1.00 25.00 H new ATOM 0 HE2 LYS A 20 -10.683 7.629 18.845 1.00 25.00 H new ATOM 0 HE3 LYS A 20 -10.580 6.277 17.734 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 -12.857 7.449 18.158 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 -12.804 5.759 17.999 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 -12.917 6.464 19.540 1.00 25.00 H new ATOM 363 N THR A 21 -7.258 2.307 19.450 1.00 25.00 N ATOM 364 CA THR A 21 -7.385 1.197 20.401 1.00 25.00 C ATOM 365 C THR A 21 -6.053 0.722 20.967 1.00 25.00 C ATOM 366 O THR A 21 -6.022 0.020 21.973 1.00 25.00 O ATOM 367 CB THR A 21 -8.142 -0.008 19.759 1.00 25.00 C ATOM 368 OG1 THR A 21 -8.604 -0.887 20.786 1.00 25.00 O ATOM 369 CG2 THR A 21 -7.257 -0.808 18.811 1.00 25.00 C ATOM 0 H THR A 21 -7.532 2.071 18.496 1.00 25.00 H new ATOM 0 HA THR A 21 -7.963 1.594 21.236 1.00 25.00 H new ATOM 0 HB THR A 21 -8.974 0.405 19.189 1.00 25.00 H new ATOM 0 HG1 THR A 21 -7.967 -0.884 21.530 1.00 25.00 H new ATOM 0 HG21 THR A 21 -7.829 -1.635 18.390 1.00 25.00 H new ATOM 0 HG22 THR A 21 -6.908 -0.161 18.006 1.00 25.00 H new ATOM 0 HG23 THR A 21 -6.400 -1.201 19.358 1.00 25.00 H new ATOM 377 N ARG A 22 -4.948 1.121 20.351 1.00 25.00 N ATOM 378 CA ARG A 22 -3.633 0.762 20.868 1.00 25.00 C ATOM 379 C ARG A 22 -3.291 1.575 22.112 1.00 25.00 C ATOM 380 O ARG A 22 -2.463 1.160 22.909 1.00 25.00 O ATOM 381 CB ARG A 22 -2.566 0.995 19.797 1.00 25.00 C ATOM 382 CG ARG A 22 -1.690 -0.224 19.516 1.00 25.00 C ATOM 383 CD ARG A 22 -0.761 -0.585 20.685 1.00 25.00 C ATOM 384 NE ARG A 22 -1.272 -1.711 21.489 1.00 25.00 N ATOM 385 CZ ARG A 22 -0.949 -2.990 21.314 1.00 25.00 C ATOM 386 NH1 ARG A 22 -0.122 -3.382 20.381 1.00 25.00 N ATOM 387 NH2 ARG A 22 -1.466 -3.896 22.095 1.00 25.00 N ATOM 0 H ARG A 22 -4.934 1.687 19.502 1.00 25.00 H new ATOM 0 HA ARG A 22 -3.655 -0.294 21.139 1.00 25.00 H new ATOM 0 HB2 ARG A 22 -3.055 1.299 18.872 1.00 25.00 H new ATOM 0 HB3 ARG A 22 -1.929 1.823 20.108 1.00 25.00 H new ATOM 0 HG2 ARG A 22 -2.329 -1.078 19.291 1.00 25.00 H new ATOM 0 HG3 ARG A 22 -1.088 -0.033 18.628 1.00 25.00 H new ATOM 0 HD2 ARG A 22 0.225 -0.839 20.296 1.00 25.00 H new ATOM 0 HD3 ARG A 22 -0.635 0.287 21.327 1.00 25.00 H new ATOM 0 HE ARG A 22 -1.926 -1.491 22.240 1.00 25.00 H new ATOM 0 HH11 ARG A 22 0.301 -2.698 19.754 1.00 25.00 H new ATOM 0 HH12 ARG A 22 0.100 -4.372 20.279 1.00 25.00 H new ATOM 0 HH21 ARG A 22 -2.113 -3.623 22.834 1.00 25.00 H new ATOM 0 HH22 ARG A 22 -1.223 -4.878 21.967 1.00 25.00 H new ATOM 401 N GLY A 23 -3.902 2.745 22.252 1.00 25.00 N ATOM 402 CA GLY A 23 -3.603 3.618 23.379 1.00 25.00 C ATOM 403 C GLY A 23 -2.255 4.301 23.231 1.00 25.00 C ATOM 404 O GLY A 23 -1.651 4.725 24.209 1.00 25.00 O ATOM 0 H GLY A 23 -4.602 3.109 21.605 1.00 25.00 H new ATOM 0 HA2 GLY A 23 -4.384 4.373 23.469 1.00 25.00 H new ATOM 0 HA3 GLY A 23 -3.615 3.036 24.301 1.00 25.00 H new ATOM 408 N VAL A 24 -1.771 4.393 21.999 1.00 25.00 N ATOM 409 CA VAL A 24 -0.449 4.959 21.720 1.00 25.00 C ATOM 410 C VAL A 24 -0.617 6.174 20.821 1.00 25.00 C ATOM 411 O VAL A 24 -1.427 6.170 19.898 1.00 25.00 O ATOM 412 CB VAL A 24 0.479 3.898 21.035 1.00 25.00 C ATOM 413 CG1 VAL A 24 1.868 4.482 20.719 1.00 25.00 C ATOM 414 CG2 VAL A 24 0.653 2.682 21.949 1.00 25.00 C ATOM 0 H VAL A 24 -2.275 4.082 21.169 1.00 25.00 H new ATOM 0 HA VAL A 24 0.022 5.255 22.657 1.00 25.00 H new ATOM 0 HB VAL A 24 0.001 3.603 20.101 1.00 25.00 H new ATOM 0 HG11 VAL A 24 2.484 3.718 20.245 1.00 25.00 H new ATOM 0 HG12 VAL A 24 1.761 5.332 20.045 1.00 25.00 H new ATOM 0 HG13 VAL A 24 2.344 4.810 21.643 1.00 25.00 H new ATOM 0 HG21 VAL A 24 1.300 1.951 21.463 1.00 25.00 H new ATOM 0 HG22 VAL A 24 1.104 2.996 22.890 1.00 25.00 H new ATOM 0 HG23 VAL A 24 -0.320 2.232 22.145 1.00 25.00 H new ATOM 424 N LYS A 25 0.146 7.223 21.102 1.00 25.00 N ATOM 425 CA LYS A 25 0.094 8.453 20.310 1.00 25.00 C ATOM 426 C LYS A 25 0.846 8.272 18.985 1.00 25.00 C ATOM 427 O LYS A 25 2.003 8.672 18.854 1.00 25.00 O ATOM 428 CB LYS A 25 0.722 9.596 21.121 1.00 25.00 C ATOM 429 CG LYS A 25 0.590 10.989 20.477 1.00 25.00 C ATOM 430 CD LYS A 25 1.669 11.947 20.993 1.00 25.00 C ATOM 431 CE LYS A 25 3.038 11.641 20.352 1.00 25.00 C ATOM 432 NZ LYS A 25 4.131 12.516 20.901 1.00 25.00 N ATOM 0 H LYS A 25 0.811 7.250 21.875 1.00 25.00 H new ATOM 0 HA LYS A 25 -0.945 8.691 20.082 1.00 25.00 H new ATOM 0 HB2 LYS A 25 0.259 9.621 22.107 1.00 25.00 H new ATOM 0 HB3 LYS A 25 1.779 9.379 21.271 1.00 25.00 H new ATOM 0 HG2 LYS A 25 0.668 10.900 19.393 1.00 25.00 H new ATOM 0 HG3 LYS A 25 -0.397 11.399 20.693 1.00 25.00 H new ATOM 0 HD2 LYS A 25 1.382 12.975 20.772 1.00 25.00 H new ATOM 0 HD3 LYS A 25 1.745 11.864 22.077 1.00 25.00 H new ATOM 0 HE2 LYS A 25 3.292 10.595 20.524 1.00 25.00 H new ATOM 0 HE3 LYS A 25 2.971 11.780 19.273 1.00 25.00 H new ATOM 0 HZ1 LYS A 25 5.032 12.275 20.442 1.00 25.00 H new ATOM 0 HZ2 LYS A 25 3.903 13.514 20.715 1.00 25.00 H new ATOM 0 HZ3 LYS A 25 4.214 12.365 21.927 1.00 25.00 H new ATOM 446 N VAL A 26 0.158 7.729 17.993 1.00 25.00 N ATOM 447 CA VAL A 26 0.694 7.579 16.639 1.00 25.00 C ATOM 448 C VAL A 26 -0.360 8.099 15.670 1.00 25.00 C ATOM 449 O VAL A 26 -1.553 8.055 15.955 1.00 25.00 O ATOM 450 CB VAL A 26 1.049 6.094 16.295 1.00 25.00 C ATOM 451 CG1 VAL A 26 2.404 5.718 16.900 1.00 25.00 C ATOM 452 CG2 VAL A 26 -0.036 5.122 16.805 1.00 25.00 C ATOM 0 H VAL A 26 -0.793 7.377 18.100 1.00 25.00 H new ATOM 0 HA VAL A 26 1.623 8.143 16.562 1.00 25.00 H new ATOM 0 HB VAL A 26 1.100 6.010 15.209 1.00 25.00 H new ATOM 0 HG11 VAL A 26 2.638 4.683 16.653 1.00 25.00 H new ATOM 0 HG12 VAL A 26 3.177 6.371 16.495 1.00 25.00 H new ATOM 0 HG13 VAL A 26 2.363 5.832 17.983 1.00 25.00 H new ATOM 0 HG21 VAL A 26 0.242 4.100 16.549 1.00 25.00 H new ATOM 0 HG22 VAL A 26 -0.127 5.213 17.887 1.00 25.00 H new ATOM 0 HG23 VAL A 26 -0.991 5.366 16.339 1.00 25.00 H new ATOM 462 N LYS A 27 0.087 8.663 14.557 1.00 25.00 N ATOM 463 CA LYS A 27 -0.823 9.193 13.531 1.00 25.00 C ATOM 464 C LYS A 27 -0.849 8.229 12.353 1.00 25.00 C ATOM 465 O LYS A 27 0.038 7.406 12.216 1.00 25.00 O ATOM 466 CB LYS A 27 -0.402 10.613 13.114 1.00 25.00 C ATOM 467 CG LYS A 27 0.981 10.703 12.460 1.00 25.00 C ATOM 468 CD LYS A 27 1.523 12.140 12.411 1.00 25.00 C ATOM 469 CE LYS A 27 0.709 13.056 11.491 1.00 25.00 C ATOM 470 NZ LYS A 27 1.343 14.424 11.399 1.00 25.00 N ATOM 0 H LYS A 27 1.077 8.769 14.334 1.00 25.00 H new ATOM 0 HA LYS A 27 -1.833 9.275 13.931 1.00 25.00 H new ATOM 0 HB2 LYS A 27 -1.144 11.009 12.420 1.00 25.00 H new ATOM 0 HB3 LYS A 27 -0.415 11.255 13.995 1.00 25.00 H new ATOM 0 HG2 LYS A 27 1.680 10.074 13.011 1.00 25.00 H new ATOM 0 HG3 LYS A 27 0.925 10.306 11.447 1.00 25.00 H new ATOM 0 HD2 LYS A 27 1.526 12.556 13.419 1.00 25.00 H new ATOM 0 HD3 LYS A 27 2.559 12.120 12.071 1.00 25.00 H new ATOM 0 HE2 LYS A 27 0.642 12.614 10.497 1.00 25.00 H new ATOM 0 HE3 LYS A 27 -0.309 13.147 11.869 1.00 25.00 H new ATOM 0 HZ1 LYS A 27 0.775 15.028 10.771 1.00 25.00 H new ATOM 0 HZ2 LYS A 27 1.385 14.852 12.346 1.00 25.00 H new ATOM 0 HZ3 LYS A 27 2.306 14.335 11.017 1.00 25.00 H new ATOM 484 N PHE A 28 -1.825 8.372 11.472 1.00 25.00 N ATOM 485 CA PHE A 28 -1.926 7.513 10.286 1.00 25.00 C ATOM 486 C PHE A 28 -0.675 7.540 9.426 1.00 25.00 C ATOM 487 O PHE A 28 -0.166 6.501 9.054 1.00 25.00 O ATOM 488 CB PHE A 28 -3.091 7.977 9.414 1.00 25.00 C ATOM 489 CG PHE A 28 -4.384 7.299 9.720 1.00 25.00 C ATOM 490 CD1 PHE A 28 -5.189 7.723 10.796 1.00 25.00 C ATOM 491 CD2 PHE A 28 -4.822 6.239 8.913 1.00 25.00 C ATOM 492 CE1 PHE A 28 -6.424 7.088 11.061 1.00 25.00 C ATOM 493 CE2 PHE A 28 -6.040 5.602 9.166 1.00 25.00 C ATOM 494 CZ PHE A 28 -6.850 6.030 10.240 1.00 25.00 C ATOM 0 H PHE A 28 -2.563 9.072 11.548 1.00 25.00 H new ATOM 0 HA PHE A 28 -2.072 6.498 10.655 1.00 25.00 H new ATOM 0 HB2 PHE A 28 -3.218 9.053 9.537 1.00 25.00 H new ATOM 0 HB3 PHE A 28 -2.840 7.804 8.368 1.00 25.00 H new ATOM 0 HD1 PHE A 28 -4.860 8.539 11.423 1.00 25.00 H new ATOM 0 HD2 PHE A 28 -4.210 5.911 8.086 1.00 25.00 H new ATOM 0 HE1 PHE A 28 -7.036 7.414 11.889 1.00 25.00 H new ATOM 0 HE2 PHE A 28 -6.361 4.783 8.540 1.00 25.00 H new ATOM 0 HZ PHE A 28 -7.796 5.545 10.430 1.00 25.00 H new ATOM 504 N ALA A 29 -0.181 8.732 9.125 1.00 25.00 N ATOM 505 CA ALA A 29 1.002 8.880 8.276 1.00 25.00 C ATOM 506 C ALA A 29 2.236 8.204 8.887 1.00 25.00 C ATOM 507 O ALA A 29 3.159 7.840 8.182 1.00 25.00 O ATOM 508 CB ALA A 29 1.278 10.369 8.032 1.00 25.00 C ATOM 0 H ALA A 29 -0.577 9.613 9.453 1.00 25.00 H new ATOM 0 HA ALA A 29 0.798 8.383 7.327 1.00 25.00 H new ATOM 0 HB1 ALA A 29 2.159 10.477 7.400 1.00 25.00 H new ATOM 0 HB2 ALA A 29 0.419 10.822 7.537 1.00 25.00 H new ATOM 0 HB3 ALA A 29 1.452 10.868 8.985 1.00 25.00 H new ATOM 514 N ASP A 30 2.241 8.057 10.202 1.00 25.00 N ATOM 515 CA ASP A 30 3.349 7.413 10.898 1.00 25.00 C ATOM 516 C ASP A 30 3.164 5.897 10.934 1.00 25.00 C ATOM 517 O ASP A 30 4.113 5.155 10.768 1.00 25.00 O ATOM 518 CB ASP A 30 3.437 7.950 12.319 1.00 25.00 C ATOM 519 CG ASP A 30 4.565 7.335 13.096 1.00 25.00 C ATOM 520 OD1 ASP A 30 5.738 7.562 12.742 1.00 25.00 O ATOM 521 OD2 ASP A 30 4.269 6.678 14.111 1.00 25.00 O ATOM 0 H ASP A 30 1.489 8.375 10.813 1.00 25.00 H new ATOM 0 HA ASP A 30 4.271 7.635 10.360 1.00 25.00 H new ATOM 0 HB2 ASP A 30 3.568 9.032 12.288 1.00 25.00 H new ATOM 0 HB3 ASP A 30 2.497 7.758 12.836 1.00 25.00 H new ATOM 526 N LEU A 31 1.936 5.437 11.133 1.00 25.00 N ATOM 527 CA LEU A 31 1.674 3.999 11.190 1.00 25.00 C ATOM 528 C LEU A 31 1.730 3.342 9.816 1.00 25.00 C ATOM 529 O LEU A 31 2.398 2.329 9.626 1.00 25.00 O ATOM 530 CB LEU A 31 0.308 3.717 11.826 1.00 25.00 C ATOM 531 CG LEU A 31 -0.045 2.216 11.908 1.00 25.00 C ATOM 532 CD1 LEU A 31 1.004 1.422 12.676 1.00 25.00 C ATOM 533 CD2 LEU A 31 -1.392 2.017 12.558 1.00 25.00 C ATOM 0 H LEU A 31 1.113 6.027 11.257 1.00 25.00 H new ATOM 0 HA LEU A 31 2.464 3.568 11.805 1.00 25.00 H new ATOM 0 HB2 LEU A 31 0.291 4.140 12.831 1.00 25.00 H new ATOM 0 HB3 LEU A 31 -0.463 4.231 11.251 1.00 25.00 H new ATOM 0 HG LEU A 31 -0.073 1.845 10.883 1.00 25.00 H new ATOM 0 HD11 LEU A 31 0.714 0.372 12.708 1.00 25.00 H new ATOM 0 HD12 LEU A 31 1.969 1.517 12.178 1.00 25.00 H new ATOM 0 HD13 LEU A 31 1.081 1.808 13.692 1.00 25.00 H new ATOM 0 HD21 LEU A 31 -1.620 0.952 12.605 1.00 25.00 H new ATOM 0 HD22 LEU A 31 -1.374 2.429 13.567 1.00 25.00 H new ATOM 0 HD23 LEU A 31 -2.157 2.526 11.972 1.00 25.00 H new ATOM 545 N LEU A 32 1.016 3.908 8.857 1.00 25.00 N ATOM 546 CA LEU A 32 0.933 3.323 7.516 1.00 25.00 C ATOM 547 C LEU A 32 2.277 3.365 6.810 1.00 25.00 C ATOM 548 O LEU A 32 2.525 2.583 5.908 1.00 25.00 O ATOM 549 CB LEU A 32 -0.143 3.996 6.661 1.00 25.00 C ATOM 550 CG LEU A 32 -1.598 3.498 6.826 1.00 25.00 C ATOM 551 CD1 LEU A 32 -1.746 2.002 6.601 1.00 25.00 C ATOM 552 CD2 LEU A 32 -2.158 3.848 8.183 1.00 25.00 C ATOM 0 H LEU A 32 0.484 4.770 8.975 1.00 25.00 H new ATOM 0 HA LEU A 32 0.646 2.280 7.647 1.00 25.00 H new ATOM 0 HB2 LEU A 32 -0.126 5.064 6.878 1.00 25.00 H new ATOM 0 HB3 LEU A 32 0.136 3.879 5.614 1.00 25.00 H new ATOM 0 HG LEU A 32 -2.165 4.015 6.052 1.00 25.00 H new ATOM 0 HD11 LEU A 32 -2.790 1.716 6.731 1.00 25.00 H new ATOM 0 HD12 LEU A 32 -1.425 1.753 5.590 1.00 25.00 H new ATOM 0 HD13 LEU A 32 -1.130 1.463 7.321 1.00 25.00 H new ATOM 0 HD21 LEU A 32 -3.182 3.481 8.260 1.00 25.00 H new ATOM 0 HD22 LEU A 32 -1.548 3.386 8.959 1.00 25.00 H new ATOM 0 HD23 LEU A 32 -2.150 4.930 8.312 1.00 25.00 H new ATOM 564 N LYS A 33 3.166 4.231 7.268 1.00 25.00 N ATOM 565 CA LYS A 33 4.556 4.236 6.792 1.00 25.00 C ATOM 566 C LYS A 33 5.155 2.831 6.914 1.00 25.00 C ATOM 567 O LYS A 33 5.854 2.363 6.029 1.00 25.00 O ATOM 568 CB LYS A 33 5.381 5.205 7.640 1.00 25.00 C ATOM 569 CG LYS A 33 6.862 5.240 7.314 1.00 25.00 C ATOM 570 CD LYS A 33 7.600 6.077 8.341 1.00 25.00 C ATOM 571 CE LYS A 33 9.095 6.060 8.075 1.00 25.00 C ATOM 572 NZ LYS A 33 9.838 6.783 9.160 1.00 25.00 N ATOM 0 H LYS A 33 2.958 4.943 7.969 1.00 25.00 H new ATOM 0 HA LYS A 33 4.573 4.548 5.748 1.00 25.00 H new ATOM 0 HB2 LYS A 33 4.974 6.209 7.518 1.00 25.00 H new ATOM 0 HB3 LYS A 33 5.262 4.938 8.690 1.00 25.00 H new ATOM 0 HG2 LYS A 33 7.264 4.227 7.302 1.00 25.00 H new ATOM 0 HG3 LYS A 33 7.014 5.655 6.318 1.00 25.00 H new ATOM 0 HD2 LYS A 33 7.233 7.103 8.313 1.00 25.00 H new ATOM 0 HD3 LYS A 33 7.399 5.694 9.341 1.00 25.00 H new ATOM 0 HE2 LYS A 33 9.446 5.030 8.012 1.00 25.00 H new ATOM 0 HE3 LYS A 33 9.303 6.527 7.112 1.00 25.00 H new ATOM 0 HZ1 LYS A 33 10.858 6.759 8.958 1.00 25.00 H new ATOM 0 HZ2 LYS A 33 9.517 7.771 9.202 1.00 25.00 H new ATOM 0 HZ3 LYS A 33 9.655 6.321 10.073 1.00 25.00 H new ATOM 586 N PHE A 34 4.868 2.157 8.015 1.00 25.00 N ATOM 587 CA PHE A 34 5.401 0.819 8.255 1.00 25.00 C ATOM 588 C PHE A 34 4.637 -0.248 7.472 1.00 25.00 C ATOM 589 O PHE A 34 5.194 -1.282 7.142 1.00 25.00 O ATOM 590 CB PHE A 34 5.406 0.522 9.753 1.00 25.00 C ATOM 591 CG PHE A 34 6.457 1.299 10.504 1.00 25.00 C ATOM 592 CD1 PHE A 34 6.201 2.614 10.930 1.00 25.00 C ATOM 593 CD2 PHE A 34 7.719 0.732 10.763 1.00 25.00 C ATOM 594 CE1 PHE A 34 7.187 3.362 11.616 1.00 25.00 C ATOM 595 CE2 PHE A 34 8.717 1.468 11.455 1.00 25.00 C ATOM 596 CZ PHE A 34 8.447 2.788 11.878 1.00 25.00 C ATOM 0 H PHE A 34 4.268 2.512 8.760 1.00 25.00 H new ATOM 0 HA PHE A 34 6.429 0.791 7.892 1.00 25.00 H new ATOM 0 HB2 PHE A 34 4.425 0.755 10.167 1.00 25.00 H new ATOM 0 HB3 PHE A 34 5.572 -0.544 9.906 1.00 25.00 H new ATOM 0 HD1 PHE A 34 5.238 3.060 10.731 1.00 25.00 H new ATOM 0 HD2 PHE A 34 7.931 -0.274 10.432 1.00 25.00 H new ATOM 0 HE1 PHE A 34 6.974 4.371 11.938 1.00 25.00 H new ATOM 0 HE2 PHE A 34 9.679 1.020 11.657 1.00 25.00 H new ATOM 0 HZ PHE A 34 9.203 3.355 12.400 1.00 25.00 H new ATOM 606 N PHE A 35 3.391 0.028 7.112 1.00 25.00 N ATOM 607 CA PHE A 35 2.627 -0.880 6.241 1.00 25.00 C ATOM 608 C PHE A 35 3.235 -0.798 4.836 1.00 25.00 C ATOM 609 O PHE A 35 3.213 -1.757 4.077 1.00 25.00 O ATOM 610 CB PHE A 35 1.147 -0.472 6.145 1.00 25.00 C ATOM 611 CG PHE A 35 0.306 -0.829 7.353 1.00 25.00 C ATOM 612 CD1 PHE A 35 0.686 -0.465 8.663 1.00 25.00 C ATOM 613 CD2 PHE A 35 -0.917 -1.503 7.170 1.00 25.00 C ATOM 614 CE1 PHE A 35 -0.141 -0.778 9.766 1.00 25.00 C ATOM 615 CE2 PHE A 35 -1.752 -1.810 8.272 1.00 25.00 C ATOM 616 CZ PHE A 35 -1.362 -1.445 9.568 1.00 25.00 C ATOM 0 H PHE A 35 2.884 0.864 7.402 1.00 25.00 H new ATOM 0 HA PHE A 35 2.677 -1.886 6.657 1.00 25.00 H new ATOM 0 HB2 PHE A 35 1.092 0.605 5.988 1.00 25.00 H new ATOM 0 HB3 PHE A 35 0.711 -0.945 5.265 1.00 25.00 H new ATOM 0 HD1 PHE A 35 1.617 0.058 8.824 1.00 25.00 H new ATOM 0 HD2 PHE A 35 -1.223 -1.790 6.175 1.00 25.00 H new ATOM 0 HE1 PHE A 35 0.167 -0.504 10.764 1.00 25.00 H new ATOM 0 HE2 PHE A 35 -2.688 -2.325 8.114 1.00 25.00 H new ATOM 0 HZ PHE A 35 -1.997 -1.675 10.411 1.00 25.00 H new ATOM 626 N ASP A 36 3.772 0.365 4.494 1.00 25.00 N ATOM 627 CA ASP A 36 4.399 0.579 3.189 1.00 25.00 C ATOM 628 C ASP A 36 5.800 -0.025 3.171 1.00 25.00 C ATOM 629 O ASP A 36 6.275 -0.483 2.148 1.00 25.00 O ATOM 630 CB ASP A 36 4.479 2.079 2.888 1.00 25.00 C ATOM 631 CG ASP A 36 4.208 2.397 1.429 1.00 25.00 C ATOM 632 OD1 ASP A 36 3.123 2.009 0.935 1.00 25.00 O ATOM 633 OD2 ASP A 36 5.004 3.124 0.810 1.00 25.00 O ATOM 0 H ASP A 36 3.788 1.182 5.104 1.00 25.00 H new ATOM 0 HA ASP A 36 3.793 0.091 2.425 1.00 25.00 H new ATOM 0 HB2 ASP A 36 3.759 2.610 3.511 1.00 25.00 H new ATOM 0 HB3 ASP A 36 5.468 2.448 3.159 1.00 25.00 H new ATOM 638 N PHE A 37 6.440 -0.068 4.332 1.00 25.00 N ATOM 639 CA PHE A 37 7.776 -0.654 4.463 1.00 25.00 C ATOM 640 C PHE A 37 7.767 -2.143 4.112 1.00 25.00 C ATOM 641 O PHE A 37 8.706 -2.649 3.505 1.00 25.00 O ATOM 642 CB PHE A 37 8.294 -0.453 5.893 1.00 25.00 C ATOM 643 CG PHE A 37 9.702 -0.944 6.109 1.00 25.00 C ATOM 644 CD1 PHE A 37 10.792 -0.275 5.523 1.00 25.00 C ATOM 645 CD2 PHE A 37 9.948 -2.078 6.910 1.00 25.00 C ATOM 646 CE1 PHE A 37 12.121 -0.728 5.732 1.00 25.00 C ATOM 647 CE2 PHE A 37 11.274 -2.540 7.127 1.00 25.00 C ATOM 648 CZ PHE A 37 12.358 -1.862 6.535 1.00 25.00 C ATOM 0 H PHE A 37 6.056 0.297 5.204 1.00 25.00 H new ATOM 0 HA PHE A 37 8.440 -0.148 3.762 1.00 25.00 H new ATOM 0 HB2 PHE A 37 8.248 0.608 6.139 1.00 25.00 H new ATOM 0 HB3 PHE A 37 7.630 -0.970 6.585 1.00 25.00 H new ATOM 0 HD1 PHE A 37 10.616 0.594 4.906 1.00 25.00 H new ATOM 0 HD2 PHE A 37 9.119 -2.601 7.364 1.00 25.00 H new ATOM 0 HE1 PHE A 37 12.949 -0.205 5.277 1.00 25.00 H new ATOM 0 HE2 PHE A 37 11.451 -3.409 7.744 1.00 25.00 H new ATOM 0 HZ PHE A 37 13.368 -2.210 6.696 1.00 25.00 H new ATOM 658 N VAL A 38 6.685 -2.840 4.441 1.00 25.00 N ATOM 659 CA VAL A 38 6.589 -4.267 4.110 1.00 25.00 C ATOM 660 C VAL A 38 6.547 -4.462 2.614 1.00 25.00 C ATOM 661 O VAL A 38 6.927 -5.505 2.118 1.00 25.00 O ATOM 662 CB VAL A 38 5.342 -4.982 4.752 1.00 25.00 C ATOM 663 CG1 VAL A 38 4.846 -4.224 5.942 1.00 25.00 C ATOM 664 CG2 VAL A 38 4.160 -5.181 3.768 1.00 25.00 C ATOM 0 H VAL A 38 5.875 -2.455 4.927 1.00 25.00 H new ATOM 0 HA VAL A 38 7.482 -4.727 4.534 1.00 25.00 H new ATOM 0 HB VAL A 38 5.700 -5.969 5.044 1.00 25.00 H new ATOM 0 HG11 VAL A 38 3.984 -4.738 6.368 1.00 25.00 H new ATOM 0 HG12 VAL A 38 5.637 -4.162 6.689 1.00 25.00 H new ATOM 0 HG13 VAL A 38 4.555 -3.219 5.638 1.00 25.00 H new ATOM 0 HG21 VAL A 38 3.338 -5.680 4.282 1.00 25.00 H new ATOM 0 HG22 VAL A 38 3.824 -4.211 3.402 1.00 25.00 H new ATOM 0 HG23 VAL A 38 4.486 -5.793 2.927 1.00 25.00 H new ATOM 674 N LYS A 39 6.064 -3.460 1.895 1.00 25.00 N ATOM 675 CA LYS A 39 5.896 -3.593 0.457 1.00 25.00 C ATOM 676 C LYS A 39 7.261 -3.727 -0.205 1.00 25.00 C ATOM 677 O LYS A 39 7.419 -4.432 -1.187 1.00 25.00 O ATOM 678 CB LYS A 39 5.170 -2.375 -0.118 1.00 25.00 C ATOM 679 CG LYS A 39 4.555 -2.609 -1.494 1.00 25.00 C ATOM 680 CD LYS A 39 4.032 -1.302 -2.075 1.00 25.00 C ATOM 681 CE LYS A 39 3.259 -1.538 -3.371 1.00 25.00 C ATOM 682 NZ LYS A 39 2.833 -0.239 -3.981 1.00 25.00 N ATOM 0 H LYS A 39 5.785 -2.557 2.278 1.00 25.00 H new ATOM 0 HA LYS A 39 5.298 -4.483 0.258 1.00 25.00 H new ATOM 0 HB2 LYS A 39 4.383 -2.075 0.574 1.00 25.00 H new ATOM 0 HB3 LYS A 39 5.872 -1.544 -0.182 1.00 25.00 H new ATOM 0 HG2 LYS A 39 5.300 -3.039 -2.163 1.00 25.00 H new ATOM 0 HG3 LYS A 39 3.742 -3.331 -1.417 1.00 25.00 H new ATOM 0 HD2 LYS A 39 3.385 -0.812 -1.348 1.00 25.00 H new ATOM 0 HD3 LYS A 39 4.866 -0.627 -2.265 1.00 25.00 H new ATOM 0 HE2 LYS A 39 3.882 -2.089 -4.076 1.00 25.00 H new ATOM 0 HE3 LYS A 39 2.383 -2.155 -3.170 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 2.310 -0.424 -4.860 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 2.221 0.273 -3.315 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 3.673 0.337 -4.192 1.00 25.00 H new ATOM 696 N ASP A 40 8.233 -3.021 0.350 1.00 25.00 N ATOM 697 CA ASP A 40 9.598 -3.022 -0.174 1.00 25.00 C ATOM 698 C ASP A 40 10.326 -4.323 0.163 1.00 25.00 C ATOM 699 O ASP A 40 10.854 -4.996 -0.715 1.00 25.00 O ATOM 700 CB ASP A 40 10.364 -1.839 0.425 1.00 25.00 C ATOM 701 CG ASP A 40 11.769 -1.714 -0.131 1.00 25.00 C ATOM 702 OD1 ASP A 40 11.936 -1.069 -1.189 1.00 25.00 O ATOM 703 OD2 ASP A 40 12.713 -2.203 0.525 1.00 25.00 O ATOM 0 H ASP A 40 8.104 -2.432 1.173 1.00 25.00 H new ATOM 0 HA ASP A 40 9.550 -2.935 -1.259 1.00 25.00 H new ATOM 0 HB2 ASP A 40 9.816 -0.918 0.227 1.00 25.00 H new ATOM 0 HB3 ASP A 40 10.414 -1.954 1.508 1.00 25.00 H new ATOM 708 N THR A 41 10.342 -4.683 1.440 1.00 25.00 N ATOM 709 CA THR A 41 11.065 -5.876 1.887 1.00 25.00 C ATOM 710 C THR A 41 10.384 -7.176 1.457 1.00 25.00 C ATOM 711 O THR A 41 11.025 -8.208 1.274 1.00 25.00 O ATOM 712 CB THR A 41 11.184 -5.879 3.416 1.00 25.00 C ATOM 713 OG1 THR A 41 11.268 -4.530 3.881 1.00 25.00 O ATOM 714 CG2 THR A 41 12.422 -6.616 3.864 1.00 25.00 C ATOM 0 H THR A 41 9.867 -4.172 2.184 1.00 25.00 H new ATOM 0 HA THR A 41 12.048 -5.833 1.418 1.00 25.00 H new ATOM 0 HB THR A 41 10.307 -6.379 3.826 1.00 25.00 H new ATOM 0 HG1 THR A 41 11.343 -4.525 4.858 1.00 25.00 H new ATOM 0 HG21 THR A 41 12.480 -6.602 4.952 1.00 25.00 H new ATOM 0 HG22 THR A 41 12.377 -7.648 3.516 1.00 25.00 H new ATOM 0 HG23 THR A 41 13.305 -6.131 3.447 1.00 25.00 H new ATOM 722 N CYS A 42 9.072 -7.118 1.308 1.00 25.00 N ATOM 723 CA CYS A 42 8.274 -8.260 0.870 1.00 25.00 C ATOM 724 C CYS A 42 7.398 -7.851 -0.320 1.00 25.00 C ATOM 725 O CYS A 42 6.191 -7.643 -0.166 1.00 25.00 O ATOM 726 CB CYS A 42 7.391 -8.757 2.017 1.00 25.00 C ATOM 727 SG CYS A 42 8.328 -9.406 3.412 1.00 25.00 S ATOM 0 H CYS A 42 8.524 -6.276 1.487 1.00 25.00 H new ATOM 0 HA CYS A 42 8.943 -9.065 0.566 1.00 25.00 H new ATOM 0 HB2 CYS A 42 6.761 -7.937 2.362 1.00 25.00 H new ATOM 0 HB3 CYS A 42 6.725 -9.535 1.643 1.00 25.00 H new ATOM 0 HG CYS A 42 8.803 -10.577 3.108 1.00 25.00 H new ATOM 733 N PRO A 43 7.980 -7.773 -1.530 1.00 25.00 N ATOM 734 CA PRO A 43 7.192 -7.348 -2.698 1.00 25.00 C ATOM 735 C PRO A 43 6.186 -8.404 -3.126 1.00 25.00 C ATOM 736 O PRO A 43 5.239 -8.133 -3.857 1.00 25.00 O ATOM 737 CB PRO A 43 8.265 -7.120 -3.764 1.00 25.00 C ATOM 738 CG PRO A 43 9.338 -8.086 -3.411 1.00 25.00 C ATOM 739 CD PRO A 43 9.375 -8.078 -1.902 1.00 25.00 C ATOM 0 HA PRO A 43 6.584 -6.465 -2.502 1.00 25.00 H new ATOM 0 HB2 PRO A 43 7.877 -7.304 -4.766 1.00 25.00 H new ATOM 0 HB3 PRO A 43 8.631 -6.094 -3.748 1.00 25.00 H new ATOM 0 HG2 PRO A 43 9.118 -9.081 -3.797 1.00 25.00 H new ATOM 0 HG3 PRO A 43 10.297 -7.785 -3.833 1.00 25.00 H new ATOM 0 HD2 PRO A 43 9.697 -9.040 -1.502 1.00 25.00 H new ATOM 0 HD3 PRO A 43 10.067 -7.327 -1.521 1.00 25.00 H new ATOM 747 N TRP A 44 6.377 -9.607 -2.614 1.00 25.00 N ATOM 748 CA TRP A 44 5.477 -10.717 -2.855 1.00 25.00 C ATOM 749 C TRP A 44 4.283 -10.700 -1.902 1.00 25.00 C ATOM 750 O TRP A 44 3.300 -11.379 -2.141 1.00 25.00 O ATOM 751 CB TRP A 44 6.257 -12.019 -2.695 1.00 25.00 C ATOM 752 CG TRP A 44 7.292 -11.918 -1.612 1.00 25.00 C ATOM 753 CD1 TRP A 44 7.073 -11.800 -0.287 1.00 25.00 C ATOM 754 CD2 TRP A 44 8.726 -11.896 -1.766 1.00 25.00 C ATOM 755 NE1 TRP A 44 8.239 -11.717 0.417 1.00 25.00 N ATOM 756 CE2 TRP A 44 9.285 -11.762 -0.459 1.00 25.00 C ATOM 757 CE3 TRP A 44 9.596 -11.958 -2.873 1.00 25.00 C ATOM 758 CZ2 TRP A 44 10.673 -11.690 -0.236 1.00 25.00 C ATOM 759 CZ3 TRP A 44 10.996 -11.887 -2.652 1.00 25.00 C ATOM 760 CH2 TRP A 44 11.517 -11.752 -1.330 1.00 25.00 C ATOM 0 H TRP A 44 7.168 -9.841 -2.014 1.00 25.00 H new ATOM 0 HA TRP A 44 5.081 -10.631 -3.867 1.00 25.00 H new ATOM 0 HB2 TRP A 44 5.567 -12.830 -2.464 1.00 25.00 H new ATOM 0 HB3 TRP A 44 6.741 -12.271 -3.638 1.00 25.00 H new ATOM 0 HD1 TRP A 44 6.092 -11.774 0.164 1.00 25.00 H new ATOM 0 HE1 TRP A 44 8.316 -11.635 1.431 1.00 25.00 H new ATOM 0 HE3 TRP A 44 9.203 -12.058 -3.874 1.00 25.00 H new ATOM 0 HZ2 TRP A 44 11.069 -11.589 0.764 1.00 25.00 H new ATOM 0 HZ3 TRP A 44 11.673 -11.936 -3.492 1.00 25.00 H new ATOM 0 HH2 TRP A 44 12.585 -11.697 -1.182 1.00 25.00 H new ATOM 771 N PHE A 45 4.342 -9.918 -0.829 1.00 25.00 N ATOM 772 CA PHE A 45 3.231 -9.886 0.130 1.00 25.00 C ATOM 773 C PHE A 45 1.921 -9.389 -0.504 1.00 25.00 C ATOM 774 O PHE A 45 0.893 -10.062 -0.382 1.00 25.00 O ATOM 775 CB PHE A 45 3.581 -9.051 1.368 1.00 25.00 C ATOM 776 CG PHE A 45 2.519 -9.084 2.437 1.00 25.00 C ATOM 777 CD1 PHE A 45 2.482 -10.138 3.371 1.00 25.00 C ATOM 778 CD2 PHE A 45 1.541 -8.074 2.509 1.00 25.00 C ATOM 779 CE1 PHE A 45 1.485 -10.180 4.379 1.00 25.00 C ATOM 780 CE2 PHE A 45 0.531 -8.112 3.505 1.00 25.00 C ATOM 781 CZ PHE A 45 0.508 -9.164 4.444 1.00 25.00 C ATOM 0 H PHE A 45 5.127 -9.308 -0.600 1.00 25.00 H new ATOM 0 HA PHE A 45 3.069 -10.917 0.445 1.00 25.00 H new ATOM 0 HB2 PHE A 45 4.519 -9.414 1.788 1.00 25.00 H new ATOM 0 HB3 PHE A 45 3.747 -8.017 1.064 1.00 25.00 H new ATOM 0 HD1 PHE A 45 3.222 -10.923 3.319 1.00 25.00 H new ATOM 0 HD2 PHE A 45 1.560 -7.261 1.798 1.00 25.00 H new ATOM 0 HE1 PHE A 45 1.474 -10.988 5.095 1.00 25.00 H new ATOM 0 HE2 PHE A 45 -0.219 -7.336 3.544 1.00 25.00 H new ATOM 0 HZ PHE A 45 -0.254 -9.192 5.209 1.00 25.00 H new ATOM 791 N PRO A 46 1.932 -8.237 -1.220 1.00 25.00 N ATOM 792 CA PRO A 46 0.625 -7.929 -1.814 1.00 25.00 C ATOM 793 C PRO A 46 0.231 -8.867 -2.961 1.00 25.00 C ATOM 794 O PRO A 46 -0.950 -9.044 -3.240 1.00 25.00 O ATOM 795 CB PRO A 46 0.806 -6.492 -2.312 1.00 25.00 C ATOM 796 CG PRO A 46 2.245 -6.398 -2.637 1.00 25.00 C ATOM 797 CD PRO A 46 2.921 -7.186 -1.545 1.00 25.00 C ATOM 0 HA PRO A 46 -0.184 -8.055 -1.094 1.00 25.00 H new ATOM 0 HB2 PRO A 46 0.187 -6.293 -3.187 1.00 25.00 H new ATOM 0 HB3 PRO A 46 0.522 -5.767 -1.549 1.00 25.00 H new ATOM 0 HG2 PRO A 46 2.459 -6.815 -3.621 1.00 25.00 H new ATOM 0 HG3 PRO A 46 2.584 -5.362 -2.649 1.00 25.00 H new ATOM 0 HD2 PRO A 46 3.865 -7.613 -1.883 1.00 25.00 H new ATOM 0 HD3 PRO A 46 3.145 -6.563 -0.679 1.00 25.00 H new ATOM 805 N GLN A 47 1.216 -9.492 -3.596 1.00 25.00 N ATOM 806 CA GLN A 47 0.965 -10.412 -4.706 1.00 25.00 C ATOM 807 C GLN A 47 0.307 -11.707 -4.226 1.00 25.00 C ATOM 808 O GLN A 47 -0.453 -12.328 -4.959 1.00 25.00 O ATOM 809 CB GLN A 47 2.281 -10.739 -5.417 1.00 25.00 C ATOM 810 CG GLN A 47 2.966 -9.512 -6.017 1.00 25.00 C ATOM 811 CD GLN A 47 4.276 -9.853 -6.700 1.00 25.00 C ATOM 812 OE1 GLN A 47 4.922 -10.839 -6.382 1.00 25.00 O ATOM 813 NE2 GLN A 47 4.666 -9.042 -7.648 1.00 25.00 N ATOM 0 H GLN A 47 2.202 -9.379 -3.361 1.00 25.00 H new ATOM 0 HA GLN A 47 0.281 -9.921 -5.398 1.00 25.00 H new ATOM 0 HB2 GLN A 47 2.959 -11.215 -4.709 1.00 25.00 H new ATOM 0 HB3 GLN A 47 2.088 -11.462 -6.209 1.00 25.00 H new ATOM 0 HG2 GLN A 47 2.296 -9.042 -6.737 1.00 25.00 H new ATOM 0 HG3 GLN A 47 3.150 -8.781 -5.229 1.00 25.00 H new ATOM 0 HE21 GLN A 47 4.100 -8.227 -7.887 1.00 25.00 H new ATOM 0 HE22 GLN A 47 5.536 -9.224 -8.149 1.00 25.00 H new ATOM 822 N GLU A 48 0.562 -12.087 -2.979 1.00 25.00 N ATOM 823 CA GLU A 48 -0.068 -13.275 -2.396 1.00 25.00 C ATOM 824 C GLU A 48 -1.574 -13.041 -2.217 1.00 25.00 C ATOM 825 O GLU A 48 -2.351 -13.993 -2.121 1.00 25.00 O ATOM 826 CB GLU A 48 0.560 -13.617 -1.038 1.00 25.00 C ATOM 827 CG GLU A 48 1.984 -14.183 -1.113 1.00 25.00 C ATOM 828 CD GLU A 48 2.142 -15.471 -0.308 1.00 25.00 C ATOM 829 OE1 GLU A 48 1.700 -16.537 -0.791 1.00 25.00 O ATOM 830 OE2 GLU A 48 2.663 -15.417 0.834 1.00 25.00 O ATOM 0 H GLU A 48 1.197 -11.595 -2.351 1.00 25.00 H new ATOM 0 HA GLU A 48 0.093 -14.110 -3.077 1.00 25.00 H new ATOM 0 HB2 GLU A 48 0.573 -12.717 -0.423 1.00 25.00 H new ATOM 0 HB3 GLU A 48 -0.078 -14.341 -0.530 1.00 25.00 H new ATOM 0 HG2 GLU A 48 2.241 -14.375 -2.155 1.00 25.00 H new ATOM 0 HG3 GLU A 48 2.688 -13.438 -0.743 1.00 25.00 H new ATOM 837 N GLY A 49 -1.980 -11.774 -2.183 1.00 25.00 N ATOM 838 CA GLY A 49 -3.394 -11.413 -2.149 1.00 25.00 C ATOM 839 C GLY A 49 -4.195 -11.945 -0.975 1.00 25.00 C ATOM 840 O GLY A 49 -5.418 -12.050 -1.060 1.00 25.00 O ATOM 0 H GLY A 49 -1.345 -10.976 -2.178 1.00 25.00 H new ATOM 0 HA2 GLY A 49 -3.470 -10.326 -2.150 1.00 25.00 H new ATOM 0 HA3 GLY A 49 -3.860 -11.766 -3.069 1.00 25.00 H new ATOM 844 N THR A 50 -3.510 -12.332 0.090 1.00 25.00 N ATOM 845 CA THR A 50 -4.132 -13.012 1.224 1.00 25.00 C ATOM 846 C THR A 50 -3.586 -12.449 2.525 1.00 25.00 C ATOM 847 O THR A 50 -2.380 -12.220 2.638 1.00 25.00 O ATOM 848 CB THR A 50 -3.775 -14.512 1.181 1.00 25.00 C ATOM 849 OG1 THR A 50 -4.131 -15.062 -0.090 1.00 25.00 O ATOM 850 CG2 THR A 50 -4.470 -15.312 2.263 1.00 25.00 C ATOM 0 H THR A 50 -2.506 -12.185 0.196 1.00 25.00 H new ATOM 0 HA THR A 50 -5.211 -12.867 1.168 1.00 25.00 H new ATOM 0 HB THR A 50 -2.700 -14.580 1.349 1.00 25.00 H new ATOM 0 HG1 THR A 50 -3.515 -14.728 -0.775 1.00 25.00 H new ATOM 0 HG21 THR A 50 -4.181 -16.360 2.183 1.00 25.00 H new ATOM 0 HG22 THR A 50 -4.180 -14.929 3.242 1.00 25.00 H new ATOM 0 HG23 THR A 50 -5.550 -15.224 2.144 1.00 25.00 H new ATOM 858 N ILE A 51 -4.447 -12.261 3.515 1.00 25.00 N ATOM 859 CA ILE A 51 -4.023 -11.780 4.823 1.00 25.00 C ATOM 860 C ILE A 51 -4.287 -12.851 5.864 1.00 25.00 C ATOM 861 O ILE A 51 -5.415 -13.239 6.126 1.00 25.00 O ATOM 862 CB ILE A 51 -4.772 -10.494 5.236 1.00 25.00 C ATOM 863 CG1 ILE A 51 -4.609 -9.391 4.181 1.00 25.00 C ATOM 864 CG2 ILE A 51 -4.279 -9.984 6.623 1.00 25.00 C ATOM 865 CD1 ILE A 51 -3.195 -8.907 3.907 1.00 25.00 C ATOM 0 H ILE A 51 -5.449 -12.435 3.437 1.00 25.00 H new ATOM 0 HA ILE A 51 -2.959 -11.552 4.760 1.00 25.00 H new ATOM 0 HB ILE A 51 -5.831 -10.743 5.311 1.00 25.00 H new ATOM 0 HG12 ILE A 51 -5.032 -9.753 3.244 1.00 25.00 H new ATOM 0 HG13 ILE A 51 -5.207 -8.534 4.491 1.00 25.00 H new ATOM 0 HG21 ILE A 51 -4.822 -9.078 6.891 1.00 25.00 H new ATOM 0 HG22 ILE A 51 -4.458 -10.751 7.377 1.00 25.00 H new ATOM 0 HG23 ILE A 51 -3.212 -9.767 6.572 1.00 25.00 H new ATOM 0 HD11 ILE A 51 -3.218 -8.129 3.144 1.00 25.00 H new ATOM 0 HD12 ILE A 51 -2.765 -8.503 4.823 1.00 25.00 H new ATOM 0 HD13 ILE A 51 -2.586 -9.741 3.557 1.00 25.00 H new ATOM 877 N ASP A 52 -3.214 -13.305 6.479 1.00 25.00 N ATOM 878 CA ASP A 52 -3.289 -14.284 7.556 1.00 25.00 C ATOM 879 C ASP A 52 -2.054 -14.102 8.400 1.00 25.00 C ATOM 880 O ASP A 52 -1.068 -13.520 7.954 1.00 25.00 O ATOM 881 CB ASP A 52 -3.307 -15.716 7.022 1.00 25.00 C ATOM 882 CG ASP A 52 -3.391 -16.748 8.134 1.00 25.00 C ATOM 883 OD1 ASP A 52 -4.126 -16.529 9.118 1.00 25.00 O ATOM 884 OD2 ASP A 52 -2.562 -17.676 8.122 1.00 25.00 O ATOM 0 H ASP A 52 -2.265 -13.009 6.250 1.00 25.00 H new ATOM 0 HA ASP A 52 -4.208 -14.130 8.121 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -4.157 -15.840 6.350 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -2.407 -15.893 6.433 1.00 25.00 H new ATOM 889 N ILE A 53 -2.079 -14.631 9.604 1.00 25.00 N ATOM 890 CA ILE A 53 -0.952 -14.532 10.498 1.00 25.00 C ATOM 891 C ILE A 53 0.230 -15.363 10.000 1.00 25.00 C ATOM 892 O ILE A 53 1.370 -14.983 10.192 1.00 25.00 O ATOM 893 CB ILE A 53 -1.390 -14.931 11.921 1.00 25.00 C ATOM 894 CG1 ILE A 53 -0.320 -14.551 12.954 1.00 25.00 C ATOM 895 CG2 ILE A 53 -1.718 -16.433 12.027 1.00 25.00 C ATOM 896 CD1 ILE A 53 -0.069 -13.061 13.121 1.00 25.00 C ATOM 0 H ILE A 53 -2.877 -15.138 9.987 1.00 25.00 H new ATOM 0 HA ILE A 53 -0.605 -13.499 10.525 1.00 25.00 H new ATOM 0 HB ILE A 53 -2.302 -14.375 12.136 1.00 25.00 H new ATOM 0 HG12 ILE A 53 -0.611 -14.963 13.920 1.00 25.00 H new ATOM 0 HG13 ILE A 53 0.618 -15.030 12.672 1.00 25.00 H new ATOM 0 HG21 ILE A 53 -2.022 -16.668 13.047 1.00 25.00 H new ATOM 0 HG22 ILE A 53 -2.529 -16.678 11.341 1.00 25.00 H new ATOM 0 HG23 ILE A 53 -0.835 -17.017 11.768 1.00 25.00 H new ATOM 0 HD11 ILE A 53 0.704 -12.904 13.873 1.00 25.00 H new ATOM 0 HD12 ILE A 53 0.258 -12.638 12.171 1.00 25.00 H new ATOM 0 HD13 ILE A 53 -0.989 -12.570 13.438 1.00 25.00 H new ATOM 908 N LYS A 54 -0.021 -16.457 9.295 1.00 25.00 N ATOM 909 CA LYS A 54 1.078 -17.276 8.755 1.00 25.00 C ATOM 910 C LYS A 54 1.780 -16.507 7.643 1.00 25.00 C ATOM 911 O LYS A 54 2.977 -16.676 7.410 1.00 25.00 O ATOM 912 CB LYS A 54 0.540 -18.604 8.217 1.00 25.00 C ATOM 913 CG LYS A 54 -0.157 -19.453 9.286 1.00 25.00 C ATOM 914 CD LYS A 54 -1.031 -20.527 8.653 1.00 25.00 C ATOM 915 CE LYS A 54 -2.019 -21.076 9.677 1.00 25.00 C ATOM 916 NZ LYS A 54 -3.071 -21.923 9.020 1.00 25.00 N ATOM 0 H LYS A 54 -0.957 -16.802 9.081 1.00 25.00 H new ATOM 0 HA LYS A 54 1.789 -17.491 9.553 1.00 25.00 H new ATOM 0 HB2 LYS A 54 -0.162 -18.403 7.408 1.00 25.00 H new ATOM 0 HB3 LYS A 54 1.364 -19.175 7.789 1.00 25.00 H new ATOM 0 HG2 LYS A 54 0.590 -19.920 9.927 1.00 25.00 H new ATOM 0 HG3 LYS A 54 -0.767 -18.812 9.922 1.00 25.00 H new ATOM 0 HD2 LYS A 54 -1.571 -20.111 7.803 1.00 25.00 H new ATOM 0 HD3 LYS A 54 -0.407 -21.335 8.270 1.00 25.00 H new ATOM 0 HE2 LYS A 54 -1.485 -21.668 10.420 1.00 25.00 H new ATOM 0 HE3 LYS A 54 -2.493 -20.250 10.208 1.00 25.00 H new ATOM 0 HZ1 LYS A 54 -3.728 -22.282 9.742 1.00 25.00 H new ATOM 0 HZ2 LYS A 54 -3.596 -21.350 8.328 1.00 25.00 H new ATOM 0 HZ3 LYS A 54 -2.619 -22.724 8.535 1.00 25.00 H new ATOM 930 N ARG A 55 1.026 -15.644 6.977 1.00 25.00 N ATOM 931 CA ARG A 55 1.557 -14.794 5.913 1.00 25.00 C ATOM 932 C ARG A 55 2.310 -13.617 6.542 1.00 25.00 C ATOM 933 O ARG A 55 3.410 -13.286 6.133 1.00 25.00 O ATOM 934 CB ARG A 55 0.388 -14.306 5.038 1.00 25.00 C ATOM 935 CG ARG A 55 0.755 -13.931 3.607 1.00 25.00 C ATOM 936 CD ARG A 55 -0.189 -14.618 2.610 1.00 25.00 C ATOM 937 NE ARG A 55 0.171 -16.033 2.416 1.00 25.00 N ATOM 938 CZ ARG A 55 -0.289 -16.829 1.454 1.00 25.00 C ATOM 939 NH1 ARG A 55 -1.169 -16.444 0.571 1.00 25.00 N ATOM 940 NH2 ARG A 55 0.161 -18.049 1.378 1.00 25.00 N ATOM 0 H ARG A 55 0.031 -15.511 7.156 1.00 25.00 H new ATOM 0 HA ARG A 55 2.253 -15.349 5.284 1.00 25.00 H new ATOM 0 HB2 ARG A 55 -0.372 -15.087 5.008 1.00 25.00 H new ATOM 0 HB3 ARG A 55 -0.066 -13.439 5.518 1.00 25.00 H new ATOM 0 HG2 ARG A 55 0.699 -12.850 3.483 1.00 25.00 H new ATOM 0 HG3 ARG A 55 1.785 -14.223 3.401 1.00 25.00 H new ATOM 0 HD2 ARG A 55 -1.215 -14.548 2.971 1.00 25.00 H new ATOM 0 HD3 ARG A 55 -0.152 -14.097 1.653 1.00 25.00 H new ATOM 0 HE ARG A 55 0.832 -16.439 3.078 1.00 25.00 H new ATOM 0 HH11 ARG A 55 -1.537 -15.493 0.599 1.00 25.00 H new ATOM 0 HH12 ARG A 55 -1.489 -17.094 -0.147 1.00 25.00 H new ATOM 0 HH21 ARG A 55 0.854 -18.380 2.049 1.00 25.00 H new ATOM 0 HH22 ARG A 55 -0.180 -18.674 0.647 1.00 25.00 H new ATOM 954 N TRP A 56 1.727 -13.030 7.577 1.00 25.00 N ATOM 955 CA TRP A 56 2.330 -11.893 8.279 1.00 25.00 C ATOM 956 C TRP A 56 3.593 -12.254 9.063 1.00 25.00 C ATOM 957 O TRP A 56 4.515 -11.454 9.149 1.00 25.00 O ATOM 958 CB TRP A 56 1.303 -11.288 9.235 1.00 25.00 C ATOM 959 CG TRP A 56 1.751 -9.989 9.850 1.00 25.00 C ATOM 960 CD1 TRP A 56 2.025 -9.747 11.158 1.00 25.00 C ATOM 961 CD2 TRP A 56 1.983 -8.735 9.175 1.00 25.00 C ATOM 962 NE1 TRP A 56 2.393 -8.449 11.364 1.00 25.00 N ATOM 963 CE2 TRP A 56 2.382 -7.791 10.168 1.00 25.00 C ATOM 964 CE3 TRP A 56 1.903 -8.313 7.833 1.00 25.00 C ATOM 965 CZ2 TRP A 56 2.700 -6.456 9.856 1.00 25.00 C ATOM 966 CZ3 TRP A 56 2.228 -6.970 7.514 1.00 25.00 C ATOM 967 CH2 TRP A 56 2.617 -6.053 8.536 1.00 25.00 C ATOM 0 H TRP A 56 0.827 -13.322 7.957 1.00 25.00 H new ATOM 0 HA TRP A 56 2.630 -11.178 7.513 1.00 25.00 H new ATOM 0 HB2 TRP A 56 0.369 -11.124 8.697 1.00 25.00 H new ATOM 0 HB3 TRP A 56 1.091 -12.004 10.029 1.00 25.00 H new ATOM 0 HD1 TRP A 56 1.960 -10.490 11.939 1.00 25.00 H new ATOM 0 HE1 TRP A 56 2.637 -8.038 12.265 1.00 25.00 H new ATOM 0 HE3 TRP A 56 1.599 -9.002 7.059 1.00 25.00 H new ATOM 0 HZ2 TRP A 56 3.001 -5.764 10.628 1.00 25.00 H new ATOM 0 HZ3 TRP A 56 2.181 -6.638 6.487 1.00 25.00 H new ATOM 0 HH2 TRP A 56 2.850 -5.031 8.275 1.00 25.00 H new ATOM 978 N ARG A 57 3.651 -13.456 9.621 1.00 25.00 N ATOM 979 CA ARG A 57 4.830 -13.894 10.382 1.00 25.00 C ATOM 980 C ARG A 57 6.069 -13.878 9.506 1.00 25.00 C ATOM 981 O ARG A 57 7.090 -13.335 9.893 1.00 25.00 O ATOM 982 CB ARG A 57 4.594 -15.260 11.009 1.00 25.00 C ATOM 983 CG ARG A 57 3.766 -15.146 12.291 1.00 25.00 C ATOM 984 CD ARG A 57 3.234 -16.488 12.717 1.00 25.00 C ATOM 985 NE ARG A 57 2.362 -16.378 13.909 1.00 25.00 N ATOM 986 CZ ARG A 57 2.166 -17.323 14.824 1.00 25.00 C ATOM 987 NH1 ARG A 57 2.802 -18.467 14.794 1.00 25.00 N ATOM 988 NH2 ARG A 57 1.308 -17.113 15.788 1.00 25.00 N ATOM 0 H ARG A 57 2.903 -14.147 9.566 1.00 25.00 H new ATOM 0 HA ARG A 57 4.998 -13.190 11.197 1.00 25.00 H new ATOM 0 HB2 ARG A 57 4.080 -15.906 10.297 1.00 25.00 H new ATOM 0 HB3 ARG A 57 5.551 -15.731 11.232 1.00 25.00 H new ATOM 0 HG2 ARG A 57 4.380 -14.726 13.087 1.00 25.00 H new ATOM 0 HG3 ARG A 57 2.937 -14.457 12.131 1.00 25.00 H new ATOM 0 HD2 ARG A 57 2.673 -16.935 11.896 1.00 25.00 H new ATOM 0 HD3 ARG A 57 4.066 -17.157 12.935 1.00 25.00 H new ATOM 0 HE ARG A 57 1.866 -15.496 14.040 1.00 25.00 H new ATOM 0 HH11 ARG A 57 3.474 -18.657 14.051 1.00 25.00 H new ATOM 0 HH12 ARG A 57 2.625 -19.168 15.514 1.00 25.00 H new ATOM 0 HH21 ARG A 57 0.797 -16.231 15.833 1.00 25.00 H new ATOM 0 HH22 ARG A 57 1.150 -17.831 16.495 1.00 25.00 H new ATOM 1002 N ARG A 58 5.919 -14.355 8.281 1.00 25.00 N ATOM 1003 CA ARG A 58 7.004 -14.301 7.287 1.00 25.00 C ATOM 1004 C ARG A 58 7.529 -12.897 7.010 1.00 25.00 C ATOM 1005 O ARG A 58 8.690 -12.739 6.687 1.00 25.00 O ATOM 1006 CB ARG A 58 6.546 -14.912 5.969 1.00 25.00 C ATOM 1007 CG ARG A 58 6.573 -16.415 5.978 1.00 25.00 C ATOM 1008 CD ARG A 58 6.004 -16.963 4.682 1.00 25.00 C ATOM 1009 NE ARG A 58 6.231 -18.413 4.573 1.00 25.00 N ATOM 1010 CZ ARG A 58 5.502 -19.353 5.161 1.00 25.00 C ATOM 1011 NH1 ARG A 58 4.478 -19.078 5.936 1.00 25.00 N ATOM 1012 NH2 ARG A 58 5.818 -20.604 4.968 1.00 25.00 N ATOM 0 H ARG A 58 5.059 -14.786 7.941 1.00 25.00 H new ATOM 0 HA ARG A 58 7.822 -14.872 7.726 1.00 25.00 H new ATOM 0 HB2 ARG A 58 5.533 -14.574 5.750 1.00 25.00 H new ATOM 0 HB3 ARG A 58 7.185 -14.547 5.164 1.00 25.00 H new ATOM 0 HG2 ARG A 58 7.597 -16.766 6.110 1.00 25.00 H new ATOM 0 HG3 ARG A 58 5.996 -16.790 6.823 1.00 25.00 H new ATOM 0 HD2 ARG A 58 4.935 -16.755 4.634 1.00 25.00 H new ATOM 0 HD3 ARG A 58 6.466 -16.455 3.835 1.00 25.00 H new ATOM 0 HE ARG A 58 7.014 -18.721 3.997 1.00 25.00 H new ATOM 0 HH11 ARG A 58 4.214 -18.108 6.107 1.00 25.00 H new ATOM 0 HH12 ARG A 58 3.947 -19.835 6.367 1.00 25.00 H new ATOM 0 HH21 ARG A 58 6.612 -20.844 4.375 1.00 25.00 H new ATOM 0 HH22 ARG A 58 5.271 -21.342 5.411 1.00 25.00 H new ATOM 1026 N VAL A 59 6.694 -11.880 7.146 1.00 25.00 N ATOM 1027 CA VAL A 59 7.135 -10.499 6.924 1.00 25.00 C ATOM 1028 C VAL A 59 8.127 -10.110 8.011 1.00 25.00 C ATOM 1029 O VAL A 59 9.137 -9.461 7.756 1.00 25.00 O ATOM 1030 CB VAL A 59 5.932 -9.516 6.957 1.00 25.00 C ATOM 1031 CG1 VAL A 59 6.375 -8.090 6.702 1.00 25.00 C ATOM 1032 CG2 VAL A 59 4.898 -9.924 5.926 1.00 25.00 C ATOM 0 H VAL A 59 5.713 -11.976 7.407 1.00 25.00 H new ATOM 0 HA VAL A 59 7.604 -10.440 5.942 1.00 25.00 H new ATOM 0 HB VAL A 59 5.491 -9.561 7.953 1.00 25.00 H new ATOM 0 HG11 VAL A 59 5.509 -7.429 6.732 1.00 25.00 H new ATOM 0 HG12 VAL A 59 7.089 -7.788 7.469 1.00 25.00 H new ATOM 0 HG13 VAL A 59 6.847 -8.025 5.722 1.00 25.00 H new ATOM 0 HG21 VAL A 59 4.059 -9.229 5.957 1.00 25.00 H new ATOM 0 HG22 VAL A 59 5.347 -9.906 4.933 1.00 25.00 H new ATOM 0 HG23 VAL A 59 4.543 -10.931 6.145 1.00 25.00 H new ATOM 1042 N GLY A 60 7.848 -10.540 9.229 1.00 25.00 N ATOM 1043 CA GLY A 60 8.729 -10.233 10.336 1.00 25.00 C ATOM 1044 C GLY A 60 9.988 -11.064 10.282 1.00 25.00 C ATOM 1045 O GLY A 60 11.068 -10.580 10.608 1.00 25.00 O ATOM 0 H GLY A 60 7.028 -11.096 9.473 1.00 25.00 H new ATOM 0 HA2 GLY A 60 8.988 -9.174 10.314 1.00 25.00 H new ATOM 0 HA3 GLY A 60 8.211 -10.415 11.277 1.00 25.00 H new ATOM 1049 N ASP A 61 9.857 -12.295 9.810 1.00 25.00 N ATOM 1050 CA ASP A 61 11.008 -13.180 9.628 1.00 25.00 C ATOM 1051 C ASP A 61 11.937 -12.526 8.596 1.00 25.00 C ATOM 1052 O ASP A 61 13.157 -12.522 8.742 1.00 25.00 O ATOM 1053 CB ASP A 61 10.562 -14.565 9.119 1.00 25.00 C ATOM 1054 CG ASP A 61 9.616 -15.284 10.088 1.00 25.00 C ATOM 1055 OD1 ASP A 61 9.729 -15.092 11.318 1.00 25.00 O ATOM 1056 OD2 ASP A 61 8.741 -16.046 9.600 1.00 25.00 O ATOM 0 H ASP A 61 8.963 -12.709 9.544 1.00 25.00 H new ATOM 0 HA ASP A 61 11.518 -13.324 10.580 1.00 25.00 H new ATOM 0 HB2 ASP A 61 10.066 -14.449 8.155 1.00 25.00 H new ATOM 0 HB3 ASP A 61 11.443 -15.185 8.952 1.00 25.00 H new ATOM 1061 N CYS A 62 11.333 -11.923 7.578 1.00 25.00 N ATOM 1062 CA CYS A 62 12.070 -11.219 6.531 1.00 25.00 C ATOM 1063 C CYS A 62 12.825 -10.024 7.097 1.00 25.00 C ATOM 1064 O CYS A 62 13.999 -9.829 6.801 1.00 25.00 O ATOM 1065 CB CYS A 62 11.101 -10.727 5.453 1.00 25.00 C ATOM 1066 SG CYS A 62 11.843 -10.608 3.808 1.00 25.00 S ATOM 0 H CYS A 62 10.321 -11.907 7.454 1.00 25.00 H new ATOM 0 HA CYS A 62 12.788 -11.918 6.101 1.00 25.00 H new ATOM 0 HB2 CYS A 62 10.247 -11.403 5.409 1.00 25.00 H new ATOM 0 HB3 CYS A 62 10.718 -9.748 5.741 1.00 25.00 H new ATOM 0 HG CYS A 62 11.287 -9.634 3.151 1.00 25.00 H new ATOM 1072 N PHE A 63 12.162 -9.232 7.935 1.00 25.00 N ATOM 1073 CA PHE A 63 12.813 -8.070 8.535 1.00 25.00 C ATOM 1074 C PHE A 63 13.993 -8.519 9.372 1.00 25.00 C ATOM 1075 O PHE A 63 15.004 -7.836 9.422 1.00 25.00 O ATOM 1076 CB PHE A 63 11.876 -7.288 9.463 1.00 25.00 C ATOM 1077 CG PHE A 63 10.683 -6.655 8.779 1.00 25.00 C ATOM 1078 CD1 PHE A 63 10.746 -6.202 7.442 1.00 25.00 C ATOM 1079 CD2 PHE A 63 9.485 -6.472 9.498 1.00 25.00 C ATOM 1080 CE1 PHE A 63 9.626 -5.582 6.833 1.00 25.00 C ATOM 1081 CE2 PHE A 63 8.366 -5.843 8.900 1.00 25.00 C ATOM 1082 CZ PHE A 63 8.439 -5.401 7.563 1.00 25.00 C ATOM 0 H PHE A 63 11.190 -9.369 8.211 1.00 25.00 H new ATOM 0 HA PHE A 63 13.120 -7.427 7.710 1.00 25.00 H new ATOM 0 HB2 PHE A 63 11.515 -7.960 10.242 1.00 25.00 H new ATOM 0 HB3 PHE A 63 12.450 -6.505 9.959 1.00 25.00 H new ATOM 0 HD1 PHE A 63 11.658 -6.330 6.878 1.00 25.00 H new ATOM 0 HD2 PHE A 63 9.419 -6.816 10.520 1.00 25.00 H new ATOM 0 HE1 PHE A 63 9.685 -5.249 5.807 1.00 25.00 H new ATOM 0 HE2 PHE A 63 7.458 -5.702 9.467 1.00 25.00 H new ATOM 0 HZ PHE A 63 7.586 -4.925 7.102 1.00 25.00 H new ATOM 1092 N GLN A 64 13.862 -9.653 10.047 1.00 25.00 N ATOM 1093 CA GLN A 64 14.929 -10.133 10.912 1.00 25.00 C ATOM 1094 C GLN A 64 16.138 -10.559 10.101 1.00 25.00 C ATOM 1095 O GLN A 64 17.258 -10.284 10.488 1.00 25.00 O ATOM 1096 CB GLN A 64 14.447 -11.293 11.789 1.00 25.00 C ATOM 1097 CG GLN A 64 15.471 -11.717 12.849 1.00 25.00 C ATOM 1098 CD GLN A 64 15.843 -10.582 13.787 1.00 25.00 C ATOM 1099 OE1 GLN A 64 15.005 -10.066 14.512 1.00 25.00 O ATOM 1100 NE2 GLN A 64 17.091 -10.191 13.777 1.00 25.00 N ATOM 0 H GLN A 64 13.037 -10.251 10.013 1.00 25.00 H new ATOM 0 HA GLN A 64 15.221 -9.308 11.561 1.00 25.00 H new ATOM 0 HB2 GLN A 64 13.520 -11.004 12.284 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.216 -12.148 11.154 1.00 25.00 H new ATOM 0 HG2 GLN A 64 15.066 -12.546 13.430 1.00 25.00 H new ATOM 0 HG3 GLN A 64 16.370 -12.084 12.354 1.00 25.00 H new ATOM 0 HE21 GLN A 64 17.763 -10.645 13.158 1.00 25.00 H new ATOM 0 HE22 GLN A 64 17.392 -9.432 14.388 1.00 25.00 H new ATOM 1109 N ASP A 65 15.931 -11.210 8.970 1.00 25.00 N ATOM 1110 CA ASP A 65 17.067 -11.653 8.164 1.00 25.00 C ATOM 1111 C ASP A 65 17.742 -10.470 7.482 1.00 25.00 C ATOM 1112 O ASP A 65 18.967 -10.381 7.403 1.00 25.00 O ATOM 1113 CB ASP A 65 16.619 -12.671 7.126 1.00 25.00 C ATOM 1114 CG ASP A 65 17.751 -13.583 6.687 1.00 25.00 C ATOM 1115 OD1 ASP A 65 18.646 -13.863 7.522 1.00 25.00 O ATOM 1116 OD2 ASP A 65 17.724 -14.059 5.535 1.00 25.00 O ATOM 0 H ASP A 65 15.013 -11.442 8.591 1.00 25.00 H new ATOM 0 HA ASP A 65 17.790 -12.125 8.829 1.00 25.00 H new ATOM 0 HB2 ASP A 65 15.809 -13.273 7.537 1.00 25.00 H new ATOM 0 HB3 ASP A 65 16.219 -12.149 6.257 1.00 25.00 H new ATOM 1121 N TYR A 66 16.934 -9.509 7.063 1.00 25.00 N ATOM 1122 CA TYR A 66 17.450 -8.281 6.472 1.00 25.00 C ATOM 1123 C TYR A 66 18.261 -7.528 7.538 1.00 25.00 C ATOM 1124 O TYR A 66 19.325 -6.963 7.261 1.00 25.00 O ATOM 1125 CB TYR A 66 16.275 -7.437 5.977 1.00 25.00 C ATOM 1126 CG TYR A 66 16.596 -6.535 4.806 1.00 25.00 C ATOM 1127 CD1 TYR A 66 17.415 -5.399 4.958 1.00 25.00 C ATOM 1128 CD2 TYR A 66 16.065 -6.811 3.527 1.00 25.00 C ATOM 1129 CE1 TYR A 66 17.686 -4.547 3.851 1.00 25.00 C ATOM 1130 CE2 TYR A 66 16.335 -5.960 2.424 1.00 25.00 C ATOM 1131 CZ TYR A 66 17.140 -4.835 2.600 1.00 25.00 C ATOM 1132 OH TYR A 66 17.399 -3.999 1.544 1.00 25.00 O ATOM 0 H TYR A 66 15.917 -9.554 7.121 1.00 25.00 H new ATOM 0 HA TYR A 66 18.100 -8.499 5.624 1.00 25.00 H new ATOM 0 HB2 TYR A 66 15.461 -8.103 5.693 1.00 25.00 H new ATOM 0 HB3 TYR A 66 15.912 -6.824 6.802 1.00 25.00 H new ATOM 0 HD1 TYR A 66 17.841 -5.173 5.924 1.00 25.00 H new ATOM 0 HD2 TYR A 66 15.444 -7.683 3.386 1.00 25.00 H new ATOM 0 HE1 TYR A 66 18.314 -3.678 3.979 1.00 25.00 H new ATOM 0 HE2 TYR A 66 15.919 -6.183 1.453 1.00 25.00 H new ATOM 0 HH TYR A 66 16.948 -4.336 0.742 1.00 25.00 H new ATOM 1142 N PHE A 67 17.780 -7.576 8.775 1.00 25.00 N ATOM 1143 CA PHE A 67 18.491 -6.974 9.906 1.00 25.00 C ATOM 1144 C PHE A 67 19.776 -7.745 10.215 1.00 25.00 C ATOM 1145 O PHE A 67 20.784 -7.149 10.550 1.00 25.00 O ATOM 1146 CB PHE A 67 17.588 -6.956 11.144 1.00 25.00 C ATOM 1147 CG PHE A 67 18.181 -6.235 12.326 1.00 25.00 C ATOM 1148 CD1 PHE A 67 19.058 -6.898 13.207 1.00 25.00 C ATOM 1149 CD2 PHE A 67 17.846 -4.894 12.580 1.00 25.00 C ATOM 1150 CE1 PHE A 67 19.606 -6.222 14.326 1.00 25.00 C ATOM 1151 CE2 PHE A 67 18.376 -4.213 13.698 1.00 25.00 C ATOM 1152 CZ PHE A 67 19.264 -4.877 14.570 1.00 25.00 C ATOM 0 H PHE A 67 16.899 -8.026 9.025 1.00 25.00 H new ATOM 0 HA PHE A 67 18.757 -5.952 9.637 1.00 25.00 H new ATOM 0 HB2 PHE A 67 16.640 -6.485 10.883 1.00 25.00 H new ATOM 0 HB3 PHE A 67 17.365 -7.983 11.433 1.00 25.00 H new ATOM 0 HD1 PHE A 67 19.315 -7.932 13.028 1.00 25.00 H new ATOM 0 HD2 PHE A 67 17.174 -4.377 11.911 1.00 25.00 H new ATOM 0 HE1 PHE A 67 20.284 -6.737 14.990 1.00 25.00 H new ATOM 0 HE2 PHE A 67 18.102 -3.185 13.885 1.00 25.00 H new ATOM 0 HZ PHE A 67 19.680 -4.357 15.420 1.00 25.00 H new ATOM 1162 N ASN A 68 19.761 -9.063 10.079 1.00 25.00 N ATOM 1163 CA ASN A 68 20.960 -9.865 10.346 1.00 25.00 C ATOM 1164 C ASN A 68 22.049 -9.516 9.338 1.00 25.00 C ATOM 1165 O ASN A 68 23.234 -9.545 9.651 1.00 25.00 O ATOM 1166 CB ASN A 68 20.667 -11.371 10.230 1.00 25.00 C ATOM 1167 CG ASN A 68 19.711 -11.874 11.282 1.00 25.00 C ATOM 1168 OD1 ASN A 68 19.599 -11.322 12.373 1.00 25.00 O ATOM 1169 ND2 ASN A 68 19.026 -12.941 10.969 1.00 25.00 N ATOM 0 H ASN A 68 18.944 -9.601 9.789 1.00 25.00 H new ATOM 0 HA ASN A 68 21.284 -9.640 11.362 1.00 25.00 H new ATOM 0 HB2 ASN A 68 20.253 -11.579 9.243 1.00 25.00 H new ATOM 0 HB3 ASN A 68 21.604 -11.923 10.306 1.00 25.00 H new ATOM 0 HD21 ASN A 68 18.372 -13.342 11.641 1.00 25.00 H new ATOM 0 HD22 ASN A 68 19.145 -13.373 10.053 1.00 25.00 H new ATOM 1176 N THR A 69 21.632 -9.205 8.121 1.00 25.00 N ATOM 1177 CA THR A 69 22.559 -8.909 7.033 1.00 25.00 C ATOM 1178 C THR A 69 23.274 -7.562 7.201 1.00 25.00 C ATOM 1179 O THR A 69 24.465 -7.448 6.914 1.00 25.00 O ATOM 1180 CB THR A 69 21.799 -8.900 5.675 1.00 25.00 C ATOM 1181 OG1 THR A 69 21.077 -10.126 5.526 1.00 25.00 O ATOM 1182 CG2 THR A 69 22.751 -8.788 4.493 1.00 25.00 C ATOM 0 H THR A 69 20.648 -9.150 7.857 1.00 25.00 H new ATOM 0 HA THR A 69 23.316 -9.693 7.053 1.00 25.00 H new ATOM 0 HB THR A 69 21.133 -8.037 5.684 1.00 25.00 H new ATOM 0 HG1 THR A 69 20.333 -10.147 6.163 1.00 25.00 H new ATOM 0 HG21 THR A 69 22.180 -8.785 3.565 1.00 25.00 H new ATOM 0 HG22 THR A 69 23.321 -7.862 4.571 1.00 25.00 H new ATOM 0 HG23 THR A 69 23.435 -9.636 4.495 1.00 25.00 H new ATOM 1190 N PHE A 70 22.544 -6.530 7.615 1.00 25.00 N ATOM 1191 CA PHE A 70 23.108 -5.170 7.653 1.00 25.00 C ATOM 1192 C PHE A 70 22.995 -4.403 8.975 1.00 25.00 C ATOM 1193 O PHE A 70 23.435 -3.252 9.069 1.00 25.00 O ATOM 1194 CB PHE A 70 22.443 -4.345 6.563 1.00 25.00 C ATOM 1195 CG PHE A 70 23.185 -4.355 5.259 1.00 25.00 C ATOM 1196 CD1 PHE A 70 24.423 -3.694 5.143 1.00 25.00 C ATOM 1197 CD2 PHE A 70 22.650 -5.010 4.136 1.00 25.00 C ATOM 1198 CE1 PHE A 70 25.129 -3.687 3.914 1.00 25.00 C ATOM 1199 CE2 PHE A 70 23.345 -5.009 2.900 1.00 25.00 C ATOM 1200 CZ PHE A 70 24.587 -4.345 2.790 1.00 25.00 C ATOM 0 H PHE A 70 21.575 -6.599 7.926 1.00 25.00 H new ATOM 0 HA PHE A 70 24.179 -5.313 7.510 1.00 25.00 H new ATOM 0 HB2 PHE A 70 21.434 -4.723 6.399 1.00 25.00 H new ATOM 0 HB3 PHE A 70 22.346 -3.315 6.907 1.00 25.00 H new ATOM 0 HD1 PHE A 70 24.839 -3.186 6.001 1.00 25.00 H new ATOM 0 HD2 PHE A 70 21.701 -5.519 4.215 1.00 25.00 H new ATOM 0 HE1 PHE A 70 26.079 -3.179 3.838 1.00 25.00 H new ATOM 0 HE2 PHE A 70 22.925 -5.515 2.043 1.00 25.00 H new ATOM 0 HZ PHE A 70 25.119 -4.341 1.850 1.00 25.00 H new ATOM 1210 N GLY A 71 22.408 -5.008 9.990 1.00 25.00 N ATOM 1211 CA GLY A 71 22.258 -4.338 11.269 1.00 25.00 C ATOM 1212 C GLY A 71 21.144 -3.302 11.280 1.00 25.00 C ATOM 1213 O GLY A 71 20.303 -3.255 10.364 1.00 25.00 O ATOM 0 H GLY A 71 22.030 -5.955 9.956 1.00 25.00 H new ATOM 0 HA2 GLY A 71 22.060 -5.083 12.040 1.00 25.00 H new ATOM 0 HA3 GLY A 71 23.199 -3.852 11.529 1.00 25.00 H new ATOM 1217 N PRO A 72 21.117 -2.425 12.302 1.00 25.00 N ATOM 1218 CA PRO A 72 20.053 -1.418 12.411 1.00 25.00 C ATOM 1219 C PRO A 72 20.130 -0.305 11.371 1.00 25.00 C ATOM 1220 O PRO A 72 19.210 0.499 11.243 1.00 25.00 O ATOM 1221 CB PRO A 72 20.256 -0.866 13.823 1.00 25.00 C ATOM 1222 CG PRO A 72 21.706 -0.997 14.054 1.00 25.00 C ATOM 1223 CD PRO A 72 22.061 -2.323 13.433 1.00 25.00 C ATOM 0 HA PRO A 72 19.071 -1.856 12.230 1.00 25.00 H new ATOM 0 HB2 PRO A 72 19.933 0.172 13.896 1.00 25.00 H new ATOM 0 HB3 PRO A 72 19.682 -1.430 14.558 1.00 25.00 H new ATOM 0 HG2 PRO A 72 22.259 -0.180 13.591 1.00 25.00 H new ATOM 0 HG3 PRO A 72 21.943 -0.979 15.118 1.00 25.00 H new ATOM 0 HD2 PRO A 72 23.098 -2.346 13.097 1.00 25.00 H new ATOM 0 HD3 PRO A 72 21.936 -3.145 14.138 1.00 25.00 H new ATOM 1231 N GLU A 73 21.215 -0.281 10.611 1.00 25.00 N ATOM 1232 CA GLU A 73 21.431 0.738 9.589 1.00 25.00 C ATOM 1233 C GLU A 73 20.565 0.503 8.352 1.00 25.00 C ATOM 1234 O GLU A 73 20.519 1.337 7.447 1.00 25.00 O ATOM 1235 CB GLU A 73 22.908 0.750 9.181 1.00 25.00 C ATOM 1236 CG GLU A 73 23.868 0.901 10.363 1.00 25.00 C ATOM 1237 CD GLU A 73 23.545 2.115 11.224 1.00 25.00 C ATOM 1238 OE1 GLU A 73 23.508 3.242 10.687 1.00 25.00 O ATOM 1239 OE2 GLU A 73 23.313 1.933 12.440 1.00 25.00 O ATOM 0 H GLU A 73 21.969 -0.964 10.683 1.00 25.00 H new ATOM 0 HA GLU A 73 21.147 1.700 10.017 1.00 25.00 H new ATOM 0 HB2 GLU A 73 23.138 -0.175 8.653 1.00 25.00 H new ATOM 0 HB3 GLU A 73 23.076 1.568 8.480 1.00 25.00 H new ATOM 0 HG2 GLU A 73 23.827 0.002 10.978 1.00 25.00 H new ATOM 0 HG3 GLU A 73 24.889 0.985 9.990 1.00 25.00 H new ATOM 1246 N LYS A 74 19.886 -0.640 8.307 1.00 25.00 N ATOM 1247 CA LYS A 74 18.990 -0.968 7.188 1.00 25.00 C ATOM 1248 C LYS A 74 17.559 -1.156 7.648 1.00 25.00 C ATOM 1249 O LYS A 74 16.643 -0.608 7.047 1.00 25.00 O ATOM 1250 CB LYS A 74 19.467 -2.229 6.476 1.00 25.00 C ATOM 1251 CG LYS A 74 20.086 -1.976 5.095 1.00 25.00 C ATOM 1252 CD LYS A 74 21.331 -1.100 5.157 1.00 25.00 C ATOM 1253 CE LYS A 74 22.045 -1.085 3.823 1.00 25.00 C ATOM 1254 NZ LYS A 74 23.316 -0.306 3.941 1.00 25.00 N ATOM 0 H LYS A 74 19.935 -1.358 9.030 1.00 25.00 H new ATOM 0 HA LYS A 74 19.016 -0.126 6.497 1.00 25.00 H new ATOM 0 HB2 LYS A 74 20.202 -2.732 7.105 1.00 25.00 H new ATOM 0 HB3 LYS A 74 18.624 -2.911 6.364 1.00 25.00 H new ATOM 0 HG2 LYS A 74 20.342 -2.931 4.636 1.00 25.00 H new ATOM 0 HG3 LYS A 74 19.345 -1.502 4.451 1.00 25.00 H new ATOM 0 HD2 LYS A 74 21.053 -0.084 5.437 1.00 25.00 H new ATOM 0 HD3 LYS A 74 22.004 -1.471 5.930 1.00 25.00 H new ATOM 0 HE2 LYS A 74 22.260 -2.105 3.503 1.00 25.00 H new ATOM 0 HE3 LYS A 74 21.404 -0.641 3.061 1.00 25.00 H new ATOM 0 HZ1 LYS A 74 23.804 -0.297 3.023 1.00 25.00 H new ATOM 0 HZ2 LYS A 74 23.100 0.670 4.227 1.00 25.00 H new ATOM 0 HZ3 LYS A 74 23.929 -0.748 4.655 1.00 25.00 H new ATOM 1268 N VAL A 75 17.360 -1.891 8.732 1.00 25.00 N ATOM 1269 CA VAL A 75 16.020 -2.030 9.296 1.00 25.00 C ATOM 1270 C VAL A 75 16.099 -1.452 10.701 1.00 25.00 C ATOM 1271 O VAL A 75 16.963 -1.842 11.477 1.00 25.00 O ATOM 1272 CB VAL A 75 15.605 -3.538 9.366 1.00 25.00 C ATOM 1273 CG1 VAL A 75 14.215 -3.711 9.993 1.00 25.00 C ATOM 1274 CG2 VAL A 75 15.616 -4.158 7.970 1.00 25.00 C ATOM 0 H VAL A 75 18.093 -2.393 9.233 1.00 25.00 H new ATOM 0 HA VAL A 75 15.279 -1.516 8.684 1.00 25.00 H new ATOM 0 HB VAL A 75 16.332 -4.048 9.997 1.00 25.00 H new ATOM 0 HG11 VAL A 75 13.960 -4.770 10.025 1.00 25.00 H new ATOM 0 HG12 VAL A 75 14.220 -3.308 11.006 1.00 25.00 H new ATOM 0 HG13 VAL A 75 13.477 -3.178 9.394 1.00 25.00 H new ATOM 0 HG21 VAL A 75 15.325 -5.207 8.035 1.00 25.00 H new ATOM 0 HG22 VAL A 75 14.913 -3.626 7.330 1.00 25.00 H new ATOM 0 HG23 VAL A 75 16.618 -4.085 7.547 1.00 25.00 H new ATOM 1284 N PRO A 76 15.166 -0.564 11.076 1.00 25.00 N ATOM 1285 CA PRO A 76 15.292 -0.079 12.451 1.00 25.00 C ATOM 1286 C PRO A 76 14.769 -1.097 13.450 1.00 25.00 C ATOM 1287 O PRO A 76 13.861 -1.860 13.147 1.00 25.00 O ATOM 1288 CB PRO A 76 14.428 1.179 12.445 1.00 25.00 C ATOM 1289 CG PRO A 76 13.371 0.898 11.442 1.00 25.00 C ATOM 1290 CD PRO A 76 14.045 0.081 10.364 1.00 25.00 C ATOM 0 HA PRO A 76 16.325 0.105 12.747 1.00 25.00 H new ATOM 0 HB2 PRO A 76 14.001 1.372 13.429 1.00 25.00 H new ATOM 0 HB3 PRO A 76 15.010 2.059 12.172 1.00 25.00 H new ATOM 0 HG2 PRO A 76 12.541 0.350 11.889 1.00 25.00 H new ATOM 0 HG3 PRO A 76 12.960 1.822 11.035 1.00 25.00 H new ATOM 0 HD2 PRO A 76 13.366 -0.655 9.933 1.00 25.00 H new ATOM 0 HD3 PRO A 76 14.397 0.708 9.545 1.00 25.00 H new ATOM 1298 N VAL A 77 15.270 -1.059 14.674 1.00 25.00 N ATOM 1299 CA VAL A 77 14.778 -1.966 15.711 1.00 25.00 C ATOM 1300 C VAL A 77 13.303 -1.682 16.032 1.00 25.00 C ATOM 1301 O VAL A 77 12.578 -2.552 16.506 1.00 25.00 O ATOM 1302 CB VAL A 77 15.641 -1.882 17.004 1.00 25.00 C ATOM 1303 CG1 VAL A 77 17.074 -2.351 16.713 1.00 25.00 C ATOM 1304 CG2 VAL A 77 15.670 -0.445 17.573 1.00 25.00 C ATOM 0 H VAL A 77 16.007 -0.421 14.976 1.00 25.00 H new ATOM 0 HA VAL A 77 14.860 -2.980 15.320 1.00 25.00 H new ATOM 0 HB VAL A 77 15.186 -2.534 17.750 1.00 25.00 H new ATOM 0 HG11 VAL A 77 17.669 -2.288 17.624 1.00 25.00 H new ATOM 0 HG12 VAL A 77 17.055 -3.383 16.362 1.00 25.00 H new ATOM 0 HG13 VAL A 77 17.516 -1.715 15.946 1.00 25.00 H new ATOM 0 HG21 VAL A 77 16.281 -0.423 18.475 1.00 25.00 H new ATOM 0 HG22 VAL A 77 16.094 0.232 16.831 1.00 25.00 H new ATOM 0 HG23 VAL A 77 14.655 -0.129 17.815 1.00 25.00 H new ATOM 1314 N THR A 78 12.836 -0.481 15.711 1.00 25.00 N ATOM 1315 CA THR A 78 11.435 -0.139 15.940 1.00 25.00 C ATOM 1316 C THR A 78 10.528 -0.818 14.924 1.00 25.00 C ATOM 1317 O THR A 78 9.347 -0.989 15.182 1.00 25.00 O ATOM 1318 CB THR A 78 11.187 1.397 15.924 1.00 25.00 C ATOM 1319 OG1 THR A 78 9.995 1.691 16.653 1.00 25.00 O ATOM 1320 CG2 THR A 78 11.035 1.961 14.520 1.00 25.00 C ATOM 0 H THR A 78 13.397 0.264 15.297 1.00 25.00 H new ATOM 0 HA THR A 78 11.191 -0.505 16.937 1.00 25.00 H new ATOM 0 HB THR A 78 12.063 1.860 16.378 1.00 25.00 H new ATOM 0 HG1 THR A 78 9.247 1.796 16.028 1.00 25.00 H new ATOM 0 HG21 THR A 78 10.864 3.036 14.576 1.00 25.00 H new ATOM 0 HG22 THR A 78 11.943 1.767 13.950 1.00 25.00 H new ATOM 0 HG23 THR A 78 10.188 1.485 14.026 1.00 25.00 H new ATOM 1328 N ALA A 79 11.064 -1.246 13.785 1.00 25.00 N ATOM 1329 CA ALA A 79 10.233 -1.900 12.781 1.00 25.00 C ATOM 1330 C ALA A 79 9.622 -3.164 13.366 1.00 25.00 C ATOM 1331 O ALA A 79 8.477 -3.468 13.104 1.00 25.00 O ATOM 1332 CB ALA A 79 11.042 -2.224 11.536 1.00 25.00 C ATOM 0 H ALA A 79 12.049 -1.155 13.537 1.00 25.00 H new ATOM 0 HA ALA A 79 9.433 -1.219 12.491 1.00 25.00 H new ATOM 0 HB1 ALA A 79 10.400 -2.711 10.802 1.00 25.00 H new ATOM 0 HB2 ALA A 79 11.443 -1.303 11.113 1.00 25.00 H new ATOM 0 HB3 ALA A 79 11.863 -2.890 11.799 1.00 25.00 H new ATOM 1338 N PHE A 80 10.373 -3.869 14.200 1.00 25.00 N ATOM 1339 CA PHE A 80 9.870 -5.084 14.836 1.00 25.00 C ATOM 1340 C PHE A 80 8.782 -4.772 15.858 1.00 25.00 C ATOM 1341 O PHE A 80 7.864 -5.559 16.062 1.00 25.00 O ATOM 1342 CB PHE A 80 11.020 -5.817 15.520 1.00 25.00 C ATOM 1343 CG PHE A 80 12.114 -6.208 14.575 1.00 25.00 C ATOM 1344 CD1 PHE A 80 11.984 -7.361 13.785 1.00 25.00 C ATOM 1345 CD2 PHE A 80 13.277 -5.421 14.456 1.00 25.00 C ATOM 1346 CE1 PHE A 80 12.998 -7.732 12.884 1.00 25.00 C ATOM 1347 CE2 PHE A 80 14.297 -5.776 13.546 1.00 25.00 C ATOM 1348 CZ PHE A 80 14.156 -6.936 12.758 1.00 25.00 C ATOM 0 H PHE A 80 11.330 -3.624 14.453 1.00 25.00 H new ATOM 0 HA PHE A 80 9.434 -5.715 14.061 1.00 25.00 H new ATOM 0 HB2 PHE A 80 11.434 -5.181 16.302 1.00 25.00 H new ATOM 0 HB3 PHE A 80 10.633 -6.711 16.008 1.00 25.00 H new ATOM 0 HD1 PHE A 80 11.096 -7.970 13.870 1.00 25.00 H new ATOM 0 HD2 PHE A 80 13.389 -4.537 15.067 1.00 25.00 H new ATOM 0 HE1 PHE A 80 12.890 -8.626 12.288 1.00 25.00 H new ATOM 0 HE2 PHE A 80 15.181 -5.162 13.454 1.00 25.00 H new ATOM 0 HZ PHE A 80 14.932 -7.215 12.060 1.00 25.00 H new ATOM 1358 N SER A 81 8.871 -3.609 16.483 1.00 25.00 N ATOM 1359 CA SER A 81 7.878 -3.190 17.476 1.00 25.00 C ATOM 1360 C SER A 81 6.588 -2.805 16.760 1.00 25.00 C ATOM 1361 O SER A 81 5.497 -3.246 17.126 1.00 25.00 O ATOM 1362 CB SER A 81 8.402 -2.001 18.285 1.00 25.00 C ATOM 1363 OG SER A 81 7.482 -1.633 19.297 1.00 25.00 O ATOM 0 H SER A 81 9.619 -2.934 16.325 1.00 25.00 H new ATOM 0 HA SER A 81 7.685 -4.015 18.162 1.00 25.00 H new ATOM 0 HB2 SER A 81 9.361 -2.257 18.735 1.00 25.00 H new ATOM 0 HB3 SER A 81 8.577 -1.154 17.622 1.00 25.00 H new ATOM 0 HG SER A 81 7.838 -0.872 19.802 1.00 25.00 H new ATOM 1369 N TYR A 82 6.728 -2.044 15.685 1.00 25.00 N ATOM 1370 CA TYR A 82 5.590 -1.661 14.859 1.00 25.00 C ATOM 1371 C TYR A 82 4.964 -2.892 14.249 1.00 25.00 C ATOM 1372 O TYR A 82 3.755 -3.014 14.177 1.00 25.00 O ATOM 1373 CB TYR A 82 6.040 -0.736 13.735 1.00 25.00 C ATOM 1374 CG TYR A 82 5.961 0.716 14.108 1.00 25.00 C ATOM 1375 CD1 TYR A 82 7.018 1.352 14.790 1.00 25.00 C ATOM 1376 CD2 TYR A 82 4.820 1.468 13.783 1.00 25.00 C ATOM 1377 CE1 TYR A 82 6.939 2.716 15.144 1.00 25.00 C ATOM 1378 CE2 TYR A 82 4.738 2.858 14.128 1.00 25.00 C ATOM 1379 CZ TYR A 82 5.810 3.460 14.808 1.00 25.00 C ATOM 1380 OH TYR A 82 5.809 4.782 15.172 1.00 25.00 O ATOM 0 H TYR A 82 7.623 -1.677 15.362 1.00 25.00 H new ATOM 0 HA TYR A 82 4.865 -1.145 15.489 1.00 25.00 H new ATOM 0 HB2 TYR A 82 7.066 -0.980 13.459 1.00 25.00 H new ATOM 0 HB3 TYR A 82 5.422 -0.914 12.855 1.00 25.00 H new ATOM 0 HD1 TYR A 82 7.902 0.787 15.046 1.00 25.00 H new ATOM 0 HD2 TYR A 82 3.997 0.995 13.268 1.00 25.00 H new ATOM 0 HE1 TYR A 82 7.755 3.183 15.676 1.00 25.00 H new ATOM 0 HE2 TYR A 82 3.863 3.435 13.868 1.00 25.00 H new ATOM 0 HH TYR A 82 5.143 5.267 14.641 1.00 25.00 H new ATOM 1390 N TRP A 83 5.794 -3.821 13.819 1.00 25.00 N ATOM 1391 CA TRP A 83 5.312 -5.039 13.204 1.00 25.00 C ATOM 1392 C TRP A 83 4.504 -5.870 14.197 1.00 25.00 C ATOM 1393 O TRP A 83 3.457 -6.433 13.858 1.00 25.00 O ATOM 1394 CB TRP A 83 6.508 -5.856 12.717 1.00 25.00 C ATOM 1395 CG TRP A 83 6.135 -7.171 12.156 1.00 25.00 C ATOM 1396 CD1 TRP A 83 5.741 -7.444 10.890 1.00 25.00 C ATOM 1397 CD2 TRP A 83 6.128 -8.440 12.841 1.00 25.00 C ATOM 1398 NE1 TRP A 83 5.475 -8.767 10.722 1.00 25.00 N ATOM 1399 CE2 TRP A 83 5.700 -9.416 11.902 1.00 25.00 C ATOM 1400 CE3 TRP A 83 6.442 -8.856 14.155 1.00 25.00 C ATOM 1401 CZ2 TRP A 83 5.579 -10.768 12.230 1.00 25.00 C ATOM 1402 CZ3 TRP A 83 6.338 -10.227 14.483 1.00 25.00 C ATOM 1403 CH2 TRP A 83 5.902 -11.171 13.511 1.00 25.00 C ATOM 0 H TRP A 83 6.810 -3.754 13.885 1.00 25.00 H new ATOM 0 HA TRP A 83 4.664 -4.777 12.368 1.00 25.00 H new ATOM 0 HB2 TRP A 83 7.043 -5.285 11.958 1.00 25.00 H new ATOM 0 HB3 TRP A 83 7.197 -6.007 13.548 1.00 25.00 H new ATOM 0 HD1 TRP A 83 5.649 -6.703 10.110 1.00 25.00 H new ATOM 0 HE1 TRP A 83 5.159 -9.203 9.856 1.00 25.00 H new ATOM 0 HE3 TRP A 83 6.757 -8.137 14.897 1.00 25.00 H new ATOM 0 HZ2 TRP A 83 5.240 -11.484 11.496 1.00 25.00 H new ATOM 0 HZ3 TRP A 83 6.591 -10.561 15.478 1.00 25.00 H new ATOM 0 HH2 TRP A 83 5.823 -12.214 13.778 1.00 25.00 H new ATOM 1414 N ASN A 84 4.980 -5.919 15.435 1.00 25.00 N ATOM 1415 CA ASN A 84 4.323 -6.682 16.498 1.00 25.00 C ATOM 1416 C ASN A 84 2.945 -6.117 16.809 1.00 25.00 C ATOM 1417 O ASN A 84 2.054 -6.845 17.247 1.00 25.00 O ATOM 1418 CB ASN A 84 5.168 -6.669 17.775 1.00 25.00 C ATOM 1419 CG ASN A 84 5.961 -7.935 17.956 1.00 25.00 C ATOM 1420 OD1 ASN A 84 5.423 -8.963 18.345 1.00 25.00 O ATOM 1421 ND2 ASN A 84 7.229 -7.880 17.670 1.00 25.00 N ATOM 0 H ASN A 84 5.827 -5.435 15.733 1.00 25.00 H new ATOM 0 HA ASN A 84 4.215 -7.707 16.143 1.00 25.00 H new ATOM 0 HB2 ASN A 84 5.849 -5.819 17.747 1.00 25.00 H new ATOM 0 HB3 ASN A 84 4.516 -6.527 18.637 1.00 25.00 H new ATOM 0 HD21 ASN A 84 7.810 -8.712 17.767 1.00 25.00 H new ATOM 0 HD22 ASN A 84 7.642 -7.004 17.348 1.00 25.00 H new ATOM 1428 N LEU A 85 2.766 -4.829 16.546 1.00 25.00 N ATOM 1429 CA LEU A 85 1.489 -4.165 16.777 1.00 25.00 C ATOM 1430 C LEU A 85 0.430 -4.815 15.896 1.00 25.00 C ATOM 1431 O LEU A 85 -0.622 -5.194 16.372 1.00 25.00 O ATOM 1432 CB LEU A 85 1.629 -2.666 16.459 1.00 25.00 C ATOM 1433 CG LEU A 85 0.543 -1.666 16.878 1.00 25.00 C ATOM 1434 CD1 LEU A 85 1.111 -0.253 16.676 1.00 25.00 C ATOM 1435 CD2 LEU A 85 -0.757 -1.801 16.081 1.00 25.00 C ATOM 0 H LEU A 85 3.493 -4.220 16.171 1.00 25.00 H new ATOM 0 HA LEU A 85 1.189 -4.267 17.820 1.00 25.00 H new ATOM 0 HB2 LEU A 85 2.563 -2.330 16.908 1.00 25.00 H new ATOM 0 HB3 LEU A 85 1.745 -2.578 15.379 1.00 25.00 H new ATOM 0 HG LEU A 85 0.286 -1.868 17.918 1.00 25.00 H new ATOM 0 HD11 LEU A 85 0.363 0.485 16.965 1.00 25.00 H new ATOM 0 HD12 LEU A 85 2.001 -0.127 17.292 1.00 25.00 H new ATOM 0 HD13 LEU A 85 1.373 -0.113 15.627 1.00 25.00 H new ATOM 0 HD21 LEU A 85 -1.478 -1.062 16.432 1.00 25.00 H new ATOM 0 HD22 LEU A 85 -0.554 -1.635 15.023 1.00 25.00 H new ATOM 0 HD23 LEU A 85 -1.166 -2.802 16.219 1.00 25.00 H new ATOM 1447 N ILE A 86 0.719 -4.968 14.612 1.00 25.00 N ATOM 1448 CA ILE A 86 -0.254 -5.560 13.692 1.00 25.00 C ATOM 1449 C ILE A 86 -0.296 -7.070 13.885 1.00 25.00 C ATOM 1450 O ILE A 86 -1.333 -7.709 13.717 1.00 25.00 O ATOM 1451 CB ILE A 86 0.081 -5.247 12.217 1.00 25.00 C ATOM 1452 CG1 ILE A 86 0.196 -3.730 12.012 1.00 25.00 C ATOM 1453 CG2 ILE A 86 -1.008 -5.802 11.286 1.00 25.00 C ATOM 1454 CD1 ILE A 86 1.605 -3.282 11.703 1.00 25.00 C ATOM 0 H ILE A 86 1.604 -4.697 14.184 1.00 25.00 H new ATOM 0 HA ILE A 86 -1.226 -5.122 13.919 1.00 25.00 H new ATOM 0 HB ILE A 86 1.032 -5.721 11.976 1.00 25.00 H new ATOM 0 HG12 ILE A 86 -0.462 -3.428 11.198 1.00 25.00 H new ATOM 0 HG13 ILE A 86 -0.153 -3.220 12.910 1.00 25.00 H new ATOM 0 HG21 ILE A 86 -0.754 -5.572 10.251 1.00 25.00 H new ATOM 0 HG22 ILE A 86 -1.077 -6.883 11.411 1.00 25.00 H new ATOM 0 HG23 ILE A 86 -1.966 -5.346 11.535 1.00 25.00 H new ATOM 0 HD11 ILE A 86 1.622 -2.200 11.569 1.00 25.00 H new ATOM 0 HD12 ILE A 86 2.263 -3.555 12.528 1.00 25.00 H new ATOM 0 HD13 ILE A 86 1.949 -3.766 10.789 1.00 25.00 H new ATOM 1466 N LYS A 87 0.835 -7.640 14.271 1.00 25.00 N ATOM 1467 CA LYS A 87 0.936 -9.079 14.480 1.00 25.00 C ATOM 1468 C LYS A 87 -0.131 -9.566 15.436 1.00 25.00 C ATOM 1469 O LYS A 87 -0.835 -10.511 15.130 1.00 25.00 O ATOM 1470 CB LYS A 87 2.316 -9.412 15.038 1.00 25.00 C ATOM 1471 CG LYS A 87 2.602 -10.881 15.215 1.00 25.00 C ATOM 1472 CD LYS A 87 3.626 -11.059 16.325 1.00 25.00 C ATOM 1473 CE LYS A 87 2.935 -11.266 17.679 1.00 25.00 C ATOM 1474 NZ LYS A 87 3.932 -11.337 18.800 1.00 25.00 N ATOM 0 H LYS A 87 1.699 -7.128 14.447 1.00 25.00 H new ATOM 0 HA LYS A 87 0.790 -9.580 13.523 1.00 25.00 H new ATOM 0 HB2 LYS A 87 3.070 -8.989 14.374 1.00 25.00 H new ATOM 0 HB3 LYS A 87 2.428 -8.918 16.003 1.00 25.00 H new ATOM 0 HG2 LYS A 87 1.684 -11.416 15.461 1.00 25.00 H new ATOM 0 HG3 LYS A 87 2.979 -11.305 14.284 1.00 25.00 H new ATOM 0 HD2 LYS A 87 4.264 -11.915 16.103 1.00 25.00 H new ATOM 0 HD3 LYS A 87 4.273 -10.183 16.372 1.00 25.00 H new ATOM 0 HE2 LYS A 87 2.238 -10.448 17.862 1.00 25.00 H new ATOM 0 HE3 LYS A 87 2.349 -12.185 17.653 1.00 25.00 H new ATOM 0 HZ1 LYS A 87 3.430 -11.358 19.710 1.00 25.00 H new ATOM 0 HZ2 LYS A 87 4.505 -12.199 18.701 1.00 25.00 H new ATOM 0 HZ3 LYS A 87 4.552 -10.503 18.766 1.00 25.00 H new ATOM 1488 N GLU A 88 -0.264 -8.928 16.587 1.00 25.00 N ATOM 1489 CA GLU A 88 -1.236 -9.391 17.578 1.00 25.00 C ATOM 1490 C GLU A 88 -2.664 -9.092 17.136 1.00 25.00 C ATOM 1491 O GLU A 88 -3.593 -9.766 17.553 1.00 25.00 O ATOM 1492 CB GLU A 88 -0.963 -8.786 18.960 1.00 25.00 C ATOM 1493 CG GLU A 88 -1.189 -7.290 19.061 1.00 25.00 C ATOM 1494 CD GLU A 88 -0.938 -6.772 20.460 1.00 25.00 C ATOM 1495 OE1 GLU A 88 -1.813 -6.944 21.337 1.00 25.00 O ATOM 1496 OE2 GLU A 88 0.113 -6.140 20.682 1.00 25.00 O ATOM 0 H GLU A 88 0.273 -8.105 16.860 1.00 25.00 H new ATOM 0 HA GLU A 88 -1.123 -10.472 17.656 1.00 25.00 H new ATOM 0 HB2 GLU A 88 -1.600 -9.285 19.690 1.00 25.00 H new ATOM 0 HB3 GLU A 88 0.069 -9.002 19.237 1.00 25.00 H new ATOM 0 HG2 GLU A 88 -0.531 -6.776 18.361 1.00 25.00 H new ATOM 0 HG3 GLU A 88 -2.212 -7.057 18.766 1.00 25.00 H new ATOM 1503 N LEU A 89 -2.840 -8.112 16.261 1.00 25.00 N ATOM 1504 CA LEU A 89 -4.171 -7.786 15.764 1.00 25.00 C ATOM 1505 C LEU A 89 -4.685 -8.893 14.848 1.00 25.00 C ATOM 1506 O LEU A 89 -5.848 -9.263 14.926 1.00 25.00 O ATOM 1507 CB LEU A 89 -4.166 -6.438 15.036 1.00 25.00 C ATOM 1508 CG LEU A 89 -3.912 -5.197 15.914 1.00 25.00 C ATOM 1509 CD1 LEU A 89 -3.887 -3.945 15.030 1.00 25.00 C ATOM 1510 CD2 LEU A 89 -4.939 -5.015 17.035 1.00 25.00 C ATOM 0 H LEU A 89 -2.089 -7.534 15.884 1.00 25.00 H new ATOM 0 HA LEU A 89 -4.844 -7.706 16.617 1.00 25.00 H new ATOM 0 HB2 LEU A 89 -3.403 -6.470 14.258 1.00 25.00 H new ATOM 0 HB3 LEU A 89 -5.126 -6.314 14.536 1.00 25.00 H new ATOM 0 HG LEU A 89 -2.949 -5.350 16.401 1.00 25.00 H new ATOM 0 HD11 LEU A 89 -3.707 -3.066 15.649 1.00 25.00 H new ATOM 0 HD12 LEU A 89 -3.091 -4.037 14.291 1.00 25.00 H new ATOM 0 HD13 LEU A 89 -4.845 -3.840 14.520 1.00 25.00 H new ATOM 0 HD21 LEU A 89 -4.695 -4.122 17.610 1.00 25.00 H new ATOM 0 HD22 LEU A 89 -5.934 -4.908 16.603 1.00 25.00 H new ATOM 0 HD23 LEU A 89 -4.920 -5.885 17.691 1.00 25.00 H new ATOM 1522 N ILE A 90 -3.821 -9.450 14.010 1.00 25.00 N ATOM 1523 CA ILE A 90 -4.227 -10.553 13.127 1.00 25.00 C ATOM 1524 C ILE A 90 -4.294 -11.852 13.939 1.00 25.00 C ATOM 1525 O ILE A 90 -5.193 -12.669 13.754 1.00 25.00 O ATOM 1526 CB ILE A 90 -3.233 -10.767 11.940 1.00 25.00 C ATOM 1527 CG1 ILE A 90 -3.040 -9.470 11.131 1.00 25.00 C ATOM 1528 CG2 ILE A 90 -3.758 -11.882 10.986 1.00 25.00 C ATOM 1529 CD1 ILE A 90 -1.870 -9.554 10.138 1.00 25.00 C ATOM 0 H ILE A 90 -2.846 -9.166 13.918 1.00 25.00 H new ATOM 0 HA ILE A 90 -5.200 -10.291 12.712 1.00 25.00 H new ATOM 0 HB ILE A 90 -2.275 -11.065 12.367 1.00 25.00 H new ATOM 0 HG12 ILE A 90 -3.957 -9.248 10.586 1.00 25.00 H new ATOM 0 HG13 ILE A 90 -2.868 -8.641 11.818 1.00 25.00 H new ATOM 0 HG21 ILE A 90 -3.055 -12.019 10.165 1.00 25.00 H new ATOM 0 HG22 ILE A 90 -3.857 -12.816 11.538 1.00 25.00 H new ATOM 0 HG23 ILE A 90 -4.730 -11.591 10.587 1.00 25.00 H new ATOM 0 HD11 ILE A 90 -1.783 -8.612 9.597 1.00 25.00 H new ATOM 0 HD12 ILE A 90 -0.945 -9.747 10.681 1.00 25.00 H new ATOM 0 HD13 ILE A 90 -2.051 -10.363 9.430 1.00 25.00 H new ATOM 1541 N ASP A 91 -3.350 -12.026 14.854 1.00 25.00 N ATOM 1542 CA ASP A 91 -3.273 -13.233 15.695 1.00 25.00 C ATOM 1543 C ASP A 91 -4.543 -13.382 16.542 1.00 25.00 C ATOM 1544 O ASP A 91 -4.927 -14.485 16.910 1.00 25.00 O ATOM 1545 CB ASP A 91 -2.036 -13.135 16.602 1.00 25.00 C ATOM 1546 CG ASP A 91 -1.559 -14.485 17.118 1.00 25.00 C ATOM 1547 OD1 ASP A 91 -0.872 -15.211 16.348 1.00 25.00 O ATOM 1548 OD2 ASP A 91 -1.685 -14.728 18.332 1.00 25.00 O ATOM 0 H ASP A 91 -2.615 -11.344 15.041 1.00 25.00 H new ATOM 0 HA ASP A 91 -3.189 -14.112 15.056 1.00 25.00 H new ATOM 0 HB2 ASP A 91 -1.226 -12.658 16.050 1.00 25.00 H new ATOM 0 HB3 ASP A 91 -2.266 -12.490 17.450 1.00 25.00 H new ATOM 1553 N LYS A 92 -5.196 -12.256 16.815 1.00 25.00 N ATOM 1554 CA LYS A 92 -6.423 -12.214 17.623 1.00 25.00 C ATOM 1555 C LYS A 92 -7.601 -11.582 16.873 1.00 25.00 C ATOM 1556 O LYS A 92 -8.441 -10.918 17.482 1.00 25.00 O ATOM 1557 CB LYS A 92 -6.150 -11.434 18.886 1.00 25.00 C ATOM 1558 CG LYS A 92 -4.994 -12.001 19.659 1.00 25.00 C ATOM 1559 CD LYS A 92 -4.995 -11.399 20.993 1.00 25.00 C ATOM 1560 CE LYS A 92 -3.728 -11.754 21.755 1.00 25.00 C ATOM 1561 NZ LYS A 92 -3.657 -11.013 23.060 1.00 25.00 N ATOM 0 H LYS A 92 -4.892 -11.340 16.483 1.00 25.00 H new ATOM 0 HA LYS A 92 -6.705 -13.241 17.854 1.00 25.00 H new ATOM 0 HB2 LYS A 92 -5.941 -10.395 18.632 1.00 25.00 H new ATOM 0 HB3 LYS A 92 -7.041 -11.436 19.513 1.00 25.00 H new ATOM 0 HG2 LYS A 92 -5.081 -13.085 19.731 1.00 25.00 H new ATOM 0 HG3 LYS A 92 -4.055 -11.790 19.148 1.00 25.00 H new ATOM 0 HD2 LYS A 92 -5.079 -10.316 20.906 1.00 25.00 H new ATOM 0 HD3 LYS A 92 -5.866 -11.743 21.550 1.00 25.00 H new ATOM 0 HE2 LYS A 92 -3.700 -12.828 21.941 1.00 25.00 H new ATOM 0 HE3 LYS A 92 -2.855 -11.513 21.148 1.00 25.00 H new ATOM 0 HZ1 LYS A 92 -2.783 -11.273 23.560 1.00 25.00 H new ATOM 0 HZ2 LYS A 92 -3.660 -9.989 22.878 1.00 25.00 H new ATOM 0 HZ3 LYS A 92 -4.479 -11.263 23.646 1.00 25.00 H new ATOM 1575 N LYS A 93 -7.648 -11.747 15.557 1.00 25.00 N ATOM 1576 CA LYS A 93 -8.679 -11.101 14.720 1.00 25.00 C ATOM 1577 C LYS A 93 -10.109 -11.450 15.151 1.00 25.00 C ATOM 1578 O LYS A 93 -11.027 -10.655 14.983 1.00 25.00 O ATOM 1579 CB LYS A 93 -8.469 -11.477 13.233 1.00 25.00 C ATOM 1580 CG LYS A 93 -9.176 -12.786 12.796 1.00 25.00 C ATOM 1581 CD LYS A 93 -8.605 -13.430 11.534 1.00 25.00 C ATOM 1582 CE LYS A 93 -7.284 -14.164 11.799 1.00 25.00 C ATOM 1583 NZ LYS A 93 -7.365 -15.163 12.946 1.00 25.00 N ATOM 0 H LYS A 93 -6.987 -12.322 15.035 1.00 25.00 H new ATOM 0 HA LYS A 93 -8.562 -10.026 14.854 1.00 25.00 H new ATOM 0 HB2 LYS A 93 -8.829 -10.659 12.610 1.00 25.00 H new ATOM 0 HB3 LYS A 93 -7.400 -11.575 13.043 1.00 25.00 H new ATOM 0 HG2 LYS A 93 -9.117 -13.505 13.613 1.00 25.00 H new ATOM 0 HG3 LYS A 93 -10.233 -12.575 12.633 1.00 25.00 H new ATOM 0 HD2 LYS A 93 -9.332 -14.132 11.127 1.00 25.00 H new ATOM 0 HD3 LYS A 93 -8.445 -12.662 10.778 1.00 25.00 H new ATOM 0 HE2 LYS A 93 -6.980 -14.687 10.892 1.00 25.00 H new ATOM 0 HE3 LYS A 93 -6.508 -13.431 12.020 1.00 25.00 H new ATOM 0 HZ1 LYS A 93 -6.501 -15.741 12.964 1.00 25.00 H new ATOM 0 HZ2 LYS A 93 -7.458 -14.651 13.846 1.00 25.00 H new ATOM 0 HZ3 LYS A 93 -8.192 -15.780 12.812 1.00 25.00 H new ATOM 1597 N GLU A 94 -10.286 -12.643 15.697 1.00 25.00 N ATOM 1598 CA GLU A 94 -11.610 -13.172 16.037 1.00 25.00 C ATOM 1599 C GLU A 94 -12.275 -12.416 17.184 1.00 25.00 C ATOM 1600 O GLU A 94 -13.494 -12.381 17.279 1.00 25.00 O ATOM 1601 CB GLU A 94 -11.537 -14.677 16.377 1.00 25.00 C ATOM 1602 CG GLU A 94 -10.174 -15.193 16.890 1.00 25.00 C ATOM 1603 CD GLU A 94 -9.151 -15.390 15.766 1.00 25.00 C ATOM 1604 OE1 GLU A 94 -9.346 -16.255 14.889 1.00 25.00 O ATOM 1605 OE2 GLU A 94 -8.195 -14.589 15.704 1.00 25.00 O ATOM 0 H GLU A 94 -9.519 -13.277 15.920 1.00 25.00 H new ATOM 0 HA GLU A 94 -12.227 -13.030 15.150 1.00 25.00 H new ATOM 0 HB2 GLU A 94 -12.292 -14.895 17.132 1.00 25.00 H new ATOM 0 HB3 GLU A 94 -11.805 -15.244 15.485 1.00 25.00 H new ATOM 0 HG2 GLU A 94 -9.775 -14.487 17.619 1.00 25.00 H new ATOM 0 HG3 GLU A 94 -10.322 -16.139 17.410 1.00 25.00 H new ATOM 1612 N VAL A 95 -11.477 -11.776 18.026 1.00 25.00 N ATOM 1613 CA VAL A 95 -12.009 -10.993 19.146 1.00 25.00 C ATOM 1614 C VAL A 95 -11.766 -9.512 18.883 1.00 25.00 C ATOM 1615 O VAL A 95 -11.931 -8.668 19.763 1.00 25.00 O ATOM 1616 CB VAL A 95 -11.372 -11.426 20.502 1.00 25.00 C ATOM 1617 CG1 VAL A 95 -11.750 -12.881 20.822 1.00 25.00 C ATOM 1618 CG2 VAL A 95 -9.838 -11.286 20.476 1.00 25.00 C ATOM 0 H VAL A 95 -10.459 -11.780 17.960 1.00 25.00 H new ATOM 0 HA VAL A 95 -13.080 -11.178 19.223 1.00 25.00 H new ATOM 0 HB VAL A 95 -11.762 -10.766 21.277 1.00 25.00 H new ATOM 0 HG11 VAL A 95 -11.300 -13.174 21.771 1.00 25.00 H new ATOM 0 HG12 VAL A 95 -12.834 -12.968 20.892 1.00 25.00 H new ATOM 0 HG13 VAL A 95 -11.384 -13.535 20.030 1.00 25.00 H new ATOM 0 HG21 VAL A 95 -9.428 -11.596 21.437 1.00 25.00 H new ATOM 0 HG22 VAL A 95 -9.428 -11.916 19.686 1.00 25.00 H new ATOM 0 HG23 VAL A 95 -9.571 -10.246 20.286 1.00 25.00 H new ATOM 1628 N ASN A 96 -11.359 -9.199 17.661 1.00 25.00 N ATOM 1629 CA ASN A 96 -11.037 -7.826 17.287 1.00 25.00 C ATOM 1630 C ASN A 96 -11.795 -7.422 16.006 1.00 25.00 C ATOM 1631 O ASN A 96 -11.233 -7.384 14.913 1.00 25.00 O ATOM 1632 CB ASN A 96 -9.514 -7.722 17.121 1.00 25.00 C ATOM 1633 CG ASN A 96 -8.979 -6.420 17.600 1.00 25.00 C ATOM 1634 OD1 ASN A 96 -9.608 -5.390 17.452 1.00 25.00 O ATOM 1635 ND2 ASN A 96 -7.827 -6.453 18.204 1.00 25.00 N ATOM 0 H ASN A 96 -11.243 -9.878 16.909 1.00 25.00 H new ATOM 0 HA ASN A 96 -11.355 -7.130 18.063 1.00 25.00 H new ATOM 0 HB2 ASN A 96 -9.035 -8.533 17.670 1.00 25.00 H new ATOM 0 HB3 ASN A 96 -9.256 -7.853 16.070 1.00 25.00 H new ATOM 0 HD21 ASN A 96 -7.420 -5.594 18.574 1.00 25.00 H new ATOM 0 HD22 ASN A 96 -7.331 -7.338 18.308 1.00 25.00 H new ATOM 1642 N PRO A 97 -13.094 -7.094 16.127 1.00 25.00 N ATOM 1643 CA PRO A 97 -13.853 -6.859 14.889 1.00 25.00 C ATOM 1644 C PRO A 97 -13.459 -5.608 14.106 1.00 25.00 C ATOM 1645 O PRO A 97 -13.694 -5.525 12.901 1.00 25.00 O ATOM 1646 CB PRO A 97 -15.297 -6.765 15.389 1.00 25.00 C ATOM 1647 CG PRO A 97 -15.172 -6.269 16.785 1.00 25.00 C ATOM 1648 CD PRO A 97 -13.964 -6.997 17.315 1.00 25.00 C ATOM 0 HA PRO A 97 -13.666 -7.653 14.166 1.00 25.00 H new ATOM 0 HB2 PRO A 97 -15.886 -6.083 14.776 1.00 25.00 H new ATOM 0 HB3 PRO A 97 -15.794 -7.735 15.355 1.00 25.00 H new ATOM 0 HG2 PRO A 97 -15.034 -5.188 16.815 1.00 25.00 H new ATOM 0 HG3 PRO A 97 -16.063 -6.493 17.371 1.00 25.00 H new ATOM 0 HD2 PRO A 97 -13.483 -6.448 18.125 1.00 25.00 H new ATOM 0 HD3 PRO A 97 -14.224 -7.980 17.707 1.00 25.00 H new ATOM 1656 N GLN A 98 -12.825 -4.648 14.768 1.00 25.00 N ATOM 1657 CA GLN A 98 -12.395 -3.425 14.099 1.00 25.00 C ATOM 1658 C GLN A 98 -11.331 -3.768 13.061 1.00 25.00 C ATOM 1659 O GLN A 98 -11.320 -3.198 11.972 1.00 25.00 O ATOM 1660 CB GLN A 98 -11.866 -2.388 15.116 1.00 25.00 C ATOM 1661 CG GLN A 98 -10.879 -2.941 16.132 1.00 25.00 C ATOM 1662 CD GLN A 98 -10.510 -1.948 17.203 1.00 25.00 C ATOM 1663 OE1 GLN A 98 -10.302 -0.780 16.935 1.00 25.00 O ATOM 1664 NE2 GLN A 98 -10.418 -2.412 18.420 1.00 25.00 N ATOM 0 H GLN A 98 -12.598 -4.691 15.761 1.00 25.00 H new ATOM 0 HA GLN A 98 -13.251 -2.974 13.598 1.00 25.00 H new ATOM 0 HB2 GLN A 98 -11.387 -1.575 14.570 1.00 25.00 H new ATOM 0 HB3 GLN A 98 -12.713 -1.958 15.650 1.00 25.00 H new ATOM 0 HG2 GLN A 98 -11.307 -3.827 16.600 1.00 25.00 H new ATOM 0 HG3 GLN A 98 -9.974 -3.260 15.614 1.00 25.00 H new ATOM 0 HE21 GLN A 98 -10.600 -3.398 18.605 1.00 25.00 H new ATOM 0 HE22 GLN A 98 -10.164 -1.788 19.186 1.00 25.00 H new ATOM 1673 N VAL A 99 -10.454 -4.714 13.377 1.00 25.00 N ATOM 1674 CA VAL A 99 -9.416 -5.100 12.432 1.00 25.00 C ATOM 1675 C VAL A 99 -9.906 -6.137 11.443 1.00 25.00 C ATOM 1676 O VAL A 99 -9.403 -6.209 10.348 1.00 25.00 O ATOM 1677 CB VAL A 99 -8.110 -5.600 13.124 1.00 25.00 C ATOM 1678 CG1 VAL A 99 -7.823 -4.755 14.357 1.00 25.00 C ATOM 1679 CG2 VAL A 99 -8.174 -7.092 13.481 1.00 25.00 C ATOM 0 H VAL A 99 -10.440 -5.219 14.263 1.00 25.00 H new ATOM 0 HA VAL A 99 -9.170 -4.187 11.890 1.00 25.00 H new ATOM 0 HB VAL A 99 -7.291 -5.486 12.413 1.00 25.00 H new ATOM 0 HG11 VAL A 99 -6.910 -5.109 14.836 1.00 25.00 H new ATOM 0 HG12 VAL A 99 -7.698 -3.713 14.063 1.00 25.00 H new ATOM 0 HG13 VAL A 99 -8.655 -4.837 15.056 1.00 25.00 H new ATOM 0 HG21 VAL A 99 -7.242 -7.392 13.960 1.00 25.00 H new ATOM 0 HG22 VAL A 99 -9.006 -7.267 14.163 1.00 25.00 H new ATOM 0 HG23 VAL A 99 -8.320 -7.677 12.573 1.00 25.00 H new ATOM 1689 N MET A 100 -10.881 -6.946 11.824 1.00 25.00 N ATOM 1690 CA MET A 100 -11.340 -8.033 10.963 1.00 25.00 C ATOM 1691 C MET A 100 -11.933 -7.500 9.658 1.00 25.00 C ATOM 1692 O MET A 100 -11.689 -8.037 8.584 1.00 25.00 O ATOM 1693 CB MET A 100 -12.376 -8.866 11.708 1.00 25.00 C ATOM 1694 CG MET A 100 -12.071 -10.357 11.738 1.00 25.00 C ATOM 1695 SD MET A 100 -11.771 -11.082 10.106 1.00 25.00 S ATOM 1696 CE MET A 100 -13.411 -11.013 9.342 1.00 25.00 C ATOM 0 H MET A 100 -11.369 -6.875 12.717 1.00 25.00 H new ATOM 0 HA MET A 100 -10.482 -8.655 10.707 1.00 25.00 H new ATOM 0 HB2 MET A 100 -12.451 -8.501 12.732 1.00 25.00 H new ATOM 0 HB3 MET A 100 -13.350 -8.715 11.243 1.00 25.00 H new ATOM 0 HG2 MET A 100 -11.196 -10.526 12.365 1.00 25.00 H new ATOM 0 HG3 MET A 100 -12.905 -10.878 12.208 1.00 25.00 H new ATOM 0 HE1 MET A 100 -13.361 -11.429 8.336 1.00 25.00 H new ATOM 0 HE2 MET A 100 -14.115 -11.592 9.940 1.00 25.00 H new ATOM 0 HE3 MET A 100 -13.745 -9.977 9.290 1.00 25.00 H new ATOM 1706 N ALA A 101 -12.652 -6.392 9.738 1.00 25.00 N ATOM 1707 CA ALA A 101 -13.187 -5.763 8.533 1.00 25.00 C ATOM 1708 C ALA A 101 -12.044 -5.203 7.667 1.00 25.00 C ATOM 1709 O ALA A 101 -12.169 -5.083 6.450 1.00 25.00 O ATOM 1710 CB ALA A 101 -14.161 -4.656 8.920 1.00 25.00 C ATOM 0 H ALA A 101 -12.878 -5.912 10.609 1.00 25.00 H new ATOM 0 HA ALA A 101 -13.720 -6.511 7.947 1.00 25.00 H new ATOM 0 HB1 ALA A 101 -14.558 -4.189 8.019 1.00 25.00 H new ATOM 0 HB2 ALA A 101 -14.981 -5.079 9.501 1.00 25.00 H new ATOM 0 HB3 ALA A 101 -13.642 -3.907 9.518 1.00 25.00 H new ATOM 1716 N ALA A 102 -10.926 -4.873 8.300 1.00 25.00 N ATOM 1717 CA ALA A 102 -9.764 -4.358 7.591 1.00 25.00 C ATOM 1718 C ALA A 102 -8.977 -5.515 6.957 1.00 25.00 C ATOM 1719 O ALA A 102 -8.384 -5.340 5.909 1.00 25.00 O ATOM 1720 CB ALA A 102 -8.874 -3.545 8.550 1.00 25.00 C ATOM 0 H ALA A 102 -10.800 -4.954 9.309 1.00 25.00 H new ATOM 0 HA ALA A 102 -10.098 -3.695 6.793 1.00 25.00 H new ATOM 0 HB1 ALA A 102 -8.008 -3.165 8.008 1.00 25.00 H new ATOM 0 HB2 ALA A 102 -9.444 -2.709 8.955 1.00 25.00 H new ATOM 0 HB3 ALA A 102 -8.539 -4.185 9.366 1.00 25.00 H new ATOM 1726 N VAL A 103 -9.012 -6.696 7.568 1.00 25.00 N ATOM 1727 CA VAL A 103 -8.361 -7.890 7.000 1.00 25.00 C ATOM 1728 C VAL A 103 -9.006 -8.160 5.647 1.00 25.00 C ATOM 1729 O VAL A 103 -8.317 -8.301 4.637 1.00 25.00 O ATOM 1730 CB VAL A 103 -8.553 -9.145 7.941 1.00 25.00 C ATOM 1731 CG1 VAL A 103 -8.077 -10.441 7.282 1.00 25.00 C ATOM 1732 CG2 VAL A 103 -7.797 -8.952 9.263 1.00 25.00 C ATOM 0 H VAL A 103 -9.483 -6.860 8.458 1.00 25.00 H new ATOM 0 HA VAL A 103 -7.290 -7.715 6.900 1.00 25.00 H new ATOM 0 HB VAL A 103 -9.623 -9.229 8.132 1.00 25.00 H new ATOM 0 HG11 VAL A 103 -8.229 -11.275 7.967 1.00 25.00 H new ATOM 0 HG12 VAL A 103 -8.645 -10.614 6.368 1.00 25.00 H new ATOM 0 HG13 VAL A 103 -7.017 -10.359 7.041 1.00 25.00 H new ATOM 0 HG21 VAL A 103 -7.942 -9.827 9.896 1.00 25.00 H new ATOM 0 HG22 VAL A 103 -6.734 -8.824 9.059 1.00 25.00 H new ATOM 0 HG23 VAL A 103 -8.177 -8.067 9.774 1.00 25.00 H new ATOM 1742 N ALA A 104 -10.333 -8.163 5.628 1.00 25.00 N ATOM 1743 CA ALA A 104 -11.077 -8.396 4.397 1.00 25.00 C ATOM 1744 C ALA A 104 -10.809 -7.294 3.367 1.00 25.00 C ATOM 1745 O ALA A 104 -10.540 -7.578 2.207 1.00 25.00 O ATOM 1746 CB ALA A 104 -12.575 -8.491 4.710 1.00 25.00 C ATOM 0 H ALA A 104 -10.916 -8.007 6.451 1.00 25.00 H new ATOM 0 HA ALA A 104 -10.741 -9.338 3.963 1.00 25.00 H new ATOM 0 HB1 ALA A 104 -13.129 -8.665 3.788 1.00 25.00 H new ATOM 0 HB2 ALA A 104 -12.751 -9.316 5.400 1.00 25.00 H new ATOM 0 HB3 ALA A 104 -12.911 -7.559 5.165 1.00 25.00 H new ATOM 1752 N GLN A 105 -10.861 -6.039 3.793 1.00 25.00 N ATOM 1753 CA GLN A 105 -10.623 -4.932 2.866 1.00 25.00 C ATOM 1754 C GLN A 105 -9.218 -4.966 2.292 1.00 25.00 C ATOM 1755 O GLN A 105 -9.025 -4.643 1.135 1.00 25.00 O ATOM 1756 CB GLN A 105 -10.843 -3.579 3.538 1.00 25.00 C ATOM 1757 CG GLN A 105 -12.192 -2.964 3.205 1.00 25.00 C ATOM 1758 CD GLN A 105 -12.292 -1.520 3.639 1.00 25.00 C ATOM 1759 OE1 GLN A 105 -11.821 -0.608 2.952 1.00 25.00 O ATOM 1760 NE2 GLN A 105 -12.910 -1.297 4.767 1.00 25.00 N ATOM 0 H GLN A 105 -11.061 -5.761 4.754 1.00 25.00 H new ATOM 0 HA GLN A 105 -11.343 -5.057 2.057 1.00 25.00 H new ATOM 0 HB2 GLN A 105 -10.761 -3.698 4.618 1.00 25.00 H new ATOM 0 HB3 GLN A 105 -10.052 -2.894 3.232 1.00 25.00 H new ATOM 0 HG2 GLN A 105 -12.362 -3.030 2.130 1.00 25.00 H new ATOM 0 HG3 GLN A 105 -12.980 -3.541 3.689 1.00 25.00 H new ATOM 0 HE21 GLN A 105 -13.285 -2.077 5.306 1.00 25.00 H new ATOM 0 HE22 GLN A 105 -13.018 -0.342 5.110 1.00 25.00 H new ATOM 1769 N THR A 106 -8.231 -5.354 3.083 1.00 25.00 N ATOM 1770 CA THR A 106 -6.862 -5.400 2.581 1.00 25.00 C ATOM 1771 C THR A 106 -6.787 -6.432 1.462 1.00 25.00 C ATOM 1772 O THR A 106 -6.218 -6.158 0.420 1.00 25.00 O ATOM 1773 CB THR A 106 -5.838 -5.737 3.683 1.00 25.00 C ATOM 1774 OG1 THR A 106 -6.013 -4.856 4.790 1.00 25.00 O ATOM 1775 CG2 THR A 106 -4.422 -5.550 3.193 1.00 25.00 C ATOM 0 H THR A 106 -8.344 -5.637 4.056 1.00 25.00 H new ATOM 0 HA THR A 106 -6.604 -4.409 2.208 1.00 25.00 H new ATOM 0 HB THR A 106 -6.001 -6.777 3.967 1.00 25.00 H new ATOM 0 HG1 THR A 106 -6.711 -5.208 5.381 1.00 25.00 H new ATOM 0 HG21 THR A 106 -3.724 -5.796 3.994 1.00 25.00 H new ATOM 0 HG22 THR A 106 -4.242 -6.206 2.341 1.00 25.00 H new ATOM 0 HG23 THR A 106 -4.276 -4.513 2.890 1.00 25.00 H new ATOM 1783 N GLU A 107 -7.409 -7.591 1.639 1.00 25.00 N ATOM 1784 CA GLU A 107 -7.446 -8.586 0.563 1.00 25.00 C ATOM 1785 C GLU A 107 -8.143 -8.058 -0.693 1.00 25.00 C ATOM 1786 O GLU A 107 -7.685 -8.333 -1.796 1.00 25.00 O ATOM 1787 CB GLU A 107 -8.135 -9.876 1.011 1.00 25.00 C ATOM 1788 CG GLU A 107 -7.316 -10.663 2.007 1.00 25.00 C ATOM 1789 CD GLU A 107 -7.860 -12.059 2.258 1.00 25.00 C ATOM 1790 OE1 GLU A 107 -8.985 -12.371 1.821 1.00 25.00 O ATOM 1791 OE2 GLU A 107 -7.121 -12.864 2.871 1.00 25.00 O ATOM 0 H GLU A 107 -7.887 -7.866 2.497 1.00 25.00 H new ATOM 0 HA GLU A 107 -6.405 -8.799 0.319 1.00 25.00 H new ATOM 0 HB2 GLU A 107 -9.100 -9.632 1.454 1.00 25.00 H new ATOM 0 HB3 GLU A 107 -8.333 -10.498 0.138 1.00 25.00 H new ATOM 0 HG2 GLU A 107 -6.291 -10.739 1.645 1.00 25.00 H new ATOM 0 HG3 GLU A 107 -7.281 -10.118 2.951 1.00 25.00 H new ATOM 1798 N GLU A 108 -9.217 -7.290 -0.547 1.00 25.00 N ATOM 1799 CA GLU A 108 -9.903 -6.706 -1.712 1.00 25.00 C ATOM 1800 C GLU A 108 -8.968 -5.743 -2.448 1.00 25.00 C ATOM 1801 O GLU A 108 -8.829 -5.784 -3.671 1.00 25.00 O ATOM 1802 CB GLU A 108 -11.144 -5.904 -1.283 1.00 25.00 C ATOM 1803 CG GLU A 108 -12.294 -6.719 -0.716 1.00 25.00 C ATOM 1804 CD GLU A 108 -13.468 -5.825 -0.311 1.00 25.00 C ATOM 1805 OE1 GLU A 108 -13.278 -4.929 0.548 1.00 25.00 O ATOM 1806 OE2 GLU A 108 -14.569 -5.989 -0.877 1.00 25.00 O ATOM 0 H GLU A 108 -9.634 -7.054 0.353 1.00 25.00 H new ATOM 0 HA GLU A 108 -10.199 -7.533 -2.358 1.00 25.00 H new ATOM 0 HB2 GLU A 108 -10.839 -5.171 -0.536 1.00 25.00 H new ATOM 0 HB3 GLU A 108 -11.509 -5.346 -2.146 1.00 25.00 H new ATOM 0 HG2 GLU A 108 -12.627 -7.445 -1.457 1.00 25.00 H new ATOM 0 HG3 GLU A 108 -11.949 -7.283 0.150 1.00 25.00 H new ATOM 1813 N ILE A 109 -8.341 -4.867 -1.679 1.00 25.00 N ATOM 1814 CA ILE A 109 -7.467 -3.821 -2.212 1.00 25.00 C ATOM 1815 C ILE A 109 -6.245 -4.436 -2.884 1.00 25.00 C ATOM 1816 O ILE A 109 -5.795 -3.959 -3.921 1.00 25.00 O ATOM 1817 CB ILE A 109 -7.031 -2.856 -1.058 1.00 25.00 C ATOM 1818 CG1 ILE A 109 -8.257 -2.063 -0.555 1.00 25.00 C ATOM 1819 CG2 ILE A 109 -5.936 -1.875 -1.521 1.00 25.00 C ATOM 1820 CD1 ILE A 109 -8.077 -1.443 0.835 1.00 25.00 C ATOM 0 H ILE A 109 -8.421 -4.857 -0.662 1.00 25.00 H new ATOM 0 HA ILE A 109 -8.016 -3.251 -2.962 1.00 25.00 H new ATOM 0 HB ILE A 109 -6.620 -3.462 -0.250 1.00 25.00 H new ATOM 0 HG12 ILE A 109 -8.480 -1.270 -1.268 1.00 25.00 H new ATOM 0 HG13 ILE A 109 -9.122 -2.726 -0.535 1.00 25.00 H new ATOM 0 HG21 ILE A 109 -5.659 -1.222 -0.694 1.00 25.00 H new ATOM 0 HG22 ILE A 109 -5.061 -2.435 -1.849 1.00 25.00 H new ATOM 0 HG23 ILE A 109 -6.313 -1.273 -2.348 1.00 25.00 H new ATOM 0 HD11 ILE A 109 -8.983 -0.904 1.113 1.00 25.00 H new ATOM 0 HD12 ILE A 109 -7.886 -2.231 1.563 1.00 25.00 H new ATOM 0 HD13 ILE A 109 -7.234 -0.752 0.819 1.00 25.00 H new ATOM 1832 N LEU A 110 -5.728 -5.518 -2.325 1.00 25.00 N ATOM 1833 CA LEU A 110 -4.537 -6.169 -2.862 1.00 25.00 C ATOM 1834 C LEU A 110 -4.702 -6.682 -4.286 1.00 25.00 C ATOM 1835 O LEU A 110 -3.731 -6.761 -5.020 1.00 25.00 O ATOM 1836 CB LEU A 110 -4.128 -7.316 -1.939 1.00 25.00 C ATOM 1837 CG LEU A 110 -2.918 -7.032 -1.031 1.00 25.00 C ATOM 1838 CD1 LEU A 110 -2.949 -5.666 -0.328 1.00 25.00 C ATOM 1839 CD2 LEU A 110 -2.803 -8.145 0.017 1.00 25.00 C ATOM 0 H LEU A 110 -6.114 -5.968 -1.495 1.00 25.00 H new ATOM 0 HA LEU A 110 -3.758 -5.408 -2.906 1.00 25.00 H new ATOM 0 HB2 LEU A 110 -4.980 -7.576 -1.310 1.00 25.00 H new ATOM 0 HB3 LEU A 110 -3.905 -8.190 -2.550 1.00 25.00 H new ATOM 0 HG LEU A 110 -2.048 -7.006 -1.687 1.00 25.00 H new ATOM 0 HD11 LEU A 110 -2.058 -5.554 0.289 1.00 25.00 H new ATOM 0 HD12 LEU A 110 -2.975 -4.873 -1.075 1.00 25.00 H new ATOM 0 HD13 LEU A 110 -3.837 -5.601 0.301 1.00 25.00 H new ATOM 0 HD21 LEU A 110 -1.947 -7.949 0.663 1.00 25.00 H new ATOM 0 HD22 LEU A 110 -3.712 -8.175 0.618 1.00 25.00 H new ATOM 0 HD23 LEU A 110 -2.668 -9.104 -0.484 1.00 25.00 H new ATOM 1851 N LYS A 111 -5.929 -6.975 -4.699 1.00 25.00 N ATOM 1852 CA LYS A 111 -6.184 -7.397 -6.077 1.00 25.00 C ATOM 1853 C LYS A 111 -5.998 -6.237 -7.054 1.00 25.00 C ATOM 1854 O LYS A 111 -5.616 -6.440 -8.197 1.00 25.00 O ATOM 1855 CB LYS A 111 -7.609 -7.962 -6.198 1.00 25.00 C ATOM 1856 CG LYS A 111 -7.963 -9.017 -5.133 1.00 25.00 C ATOM 1857 CD LYS A 111 -7.079 -10.261 -5.216 1.00 25.00 C ATOM 1858 CE LYS A 111 -6.531 -10.679 -3.850 1.00 25.00 C ATOM 1859 NZ LYS A 111 -7.582 -11.028 -2.832 1.00 25.00 N ATOM 0 H LYS A 111 -6.759 -6.930 -4.108 1.00 25.00 H new ATOM 0 HA LYS A 111 -5.463 -8.174 -6.332 1.00 25.00 H new ATOM 0 HB2 LYS A 111 -8.321 -7.139 -6.129 1.00 25.00 H new ATOM 0 HB3 LYS A 111 -7.729 -8.405 -7.186 1.00 25.00 H new ATOM 0 HG2 LYS A 111 -7.866 -8.573 -4.142 1.00 25.00 H new ATOM 0 HG3 LYS A 111 -9.006 -9.310 -5.251 1.00 25.00 H new ATOM 0 HD2 LYS A 111 -7.653 -11.084 -5.641 1.00 25.00 H new ATOM 0 HD3 LYS A 111 -6.248 -10.068 -5.894 1.00 25.00 H new ATOM 0 HE2 LYS A 111 -5.875 -11.539 -3.984 1.00 25.00 H new ATOM 0 HE3 LYS A 111 -5.918 -9.869 -3.456 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 -7.166 -11.635 -2.097 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 -7.946 -10.157 -2.396 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 -8.362 -11.534 -3.298 1.00 25.00 H new