USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 549 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 84 HIS : no HD1:sc= -0.245 X(o=-1.7,f=-1.4) USER MOD Set 1.2: A 95 CYS SG : rot -130:sc= -1.43 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 80 ASN : amide:sc= -1.26 K(o=-1.3,f=-3.9!) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot -41:sc= 1.1 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= -0.444 USER MOD Single : A 99 LYS NZ :NH3+ 152:sc= -0.209 (180deg=-0.792) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0234) USER MOD Single : A 103 THR OG1 : rot 114:sc= 0.494 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 110 ASN : amide:sc= -1.42 K(o=-1.4,f=-2.1) USER MOD Single : A 113 GLN : amide:sc= -2.27! C(o=-2.3!,f=-6.6!) USER MOD Single : A 119 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 HIS : no HD1:sc= -1.5 K(o=-1.5,f=-2.5!) USER MOD Single : A 123 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 124 SER OG : rot -127:sc= 1.23 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 GLN : amide:sc= -0.619 X(o=-0.62,f=-0.62) USER MOD Single : A 136 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 68 -4.235 5.983 3.906 1.00 0.00 N ATOM 60 CA GLY A 68 -3.026 5.191 4.035 1.00 0.00 C ATOM 61 C GLY A 68 -3.209 3.769 3.544 1.00 0.00 C ATOM 62 O GLY A 68 -4.219 3.129 3.839 1.00 0.00 O ATOM 0 HA2 GLY A 68 -2.223 5.666 3.472 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.716 5.174 5.080 1.00 0.00 H new ATOM 66 N ILE A 69 -2.232 3.273 2.793 1.00 0.00 N ATOM 67 CA ILE A 69 -2.291 1.918 2.260 1.00 0.00 C ATOM 68 C ILE A 69 -0.993 1.164 2.529 1.00 0.00 C ATOM 69 O ILE A 69 0.044 1.770 2.806 1.00 0.00 O ATOM 70 CB ILE A 69 -2.565 1.921 0.745 1.00 0.00 C ATOM 71 CG1 ILE A 69 -1.409 2.587 -0.004 1.00 0.00 C ATOM 72 CG2 ILE A 69 -3.877 2.631 0.445 1.00 0.00 C ATOM 73 CD1 ILE A 69 -0.318 1.623 -0.414 1.00 0.00 C ATOM 0 H ILE A 69 -1.390 3.789 2.540 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.113 1.414 2.769 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.647 0.889 0.404 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.800 3.080 -0.894 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.978 3.364 0.627 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.057 2.625 -0.630 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.693 2.117 0.952 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.822 3.661 0.798 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.468 2.165 -0.940 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.100 1.148 0.473 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.735 0.860 -1.071 1.00 0.00 H new ATOM 85 N LEU A 70 -1.056 -0.160 2.446 1.00 0.00 N ATOM 86 CA LEU A 70 0.115 -0.998 2.678 1.00 0.00 C ATOM 87 C LEU A 70 0.163 -2.155 1.685 1.00 0.00 C ATOM 88 O LEU A 70 -0.816 -2.884 1.520 1.00 0.00 O ATOM 89 CB LEU A 70 0.103 -1.539 4.109 1.00 0.00 C ATOM 90 CG LEU A 70 0.814 -2.875 4.327 1.00 0.00 C ATOM 91 CD1 LEU A 70 2.289 -2.759 3.976 1.00 0.00 C ATOM 92 CD2 LEU A 70 0.641 -3.343 5.765 1.00 0.00 C ATOM 0 H LEU A 70 -1.906 -0.677 2.220 1.00 0.00 H new ATOM 0 HA LEU A 70 1.004 -0.384 2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.561 -0.796 4.761 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.934 -1.646 4.427 1.00 0.00 H new ATOM 0 HG LEU A 70 0.362 -3.616 3.668 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.778 -3.720 4.138 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.392 -2.470 2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.755 -2.004 4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.153 -4.295 5.902 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.065 -2.602 6.442 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.420 -3.467 5.982 1.00 0.00 H new ATOM 104 N ILE A 71 1.306 -2.318 1.029 1.00 0.00 N ATOM 105 CA ILE A 71 1.482 -3.388 0.055 1.00 0.00 C ATOM 106 C ILE A 71 2.548 -4.378 0.513 1.00 0.00 C ATOM 107 O ILE A 71 3.569 -3.989 1.080 1.00 0.00 O ATOM 108 CB ILE A 71 1.873 -2.833 -1.327 1.00 0.00 C ATOM 109 CG1 ILE A 71 0.666 -2.169 -1.994 1.00 0.00 C ATOM 110 CG2 ILE A 71 2.425 -3.945 -2.207 1.00 0.00 C ATOM 111 CD1 ILE A 71 1.041 -1.211 -3.103 1.00 0.00 C ATOM 0 H ILE A 71 2.125 -1.723 1.154 1.00 0.00 H new ATOM 0 HA ILE A 71 0.524 -3.901 -0.027 1.00 0.00 H new ATOM 0 HB ILE A 71 2.651 -2.081 -1.194 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.013 -2.943 -2.398 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.093 -1.631 -1.238 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.697 -3.537 -3.181 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.307 -4.378 -1.736 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.667 -4.717 -2.336 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.137 -0.777 -3.530 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.669 -0.416 -2.700 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.588 -1.748 -3.878 1.00 0.00 H new ATOM 123 N ARG A 72 2.304 -5.660 0.261 1.00 0.00 N ATOM 124 CA ARG A 72 3.243 -6.707 0.646 1.00 0.00 C ATOM 125 C ARG A 72 3.623 -7.566 -0.556 1.00 0.00 C ATOM 126 O ARG A 72 2.764 -7.977 -1.335 1.00 0.00 O ATOM 127 CB ARG A 72 2.639 -7.585 1.743 1.00 0.00 C ATOM 128 CG ARG A 72 2.558 -6.898 3.097 1.00 0.00 C ATOM 129 CD ARG A 72 2.490 -7.909 4.231 1.00 0.00 C ATOM 130 NE ARG A 72 3.713 -8.701 4.332 1.00 0.00 N ATOM 131 CZ ARG A 72 4.024 -9.442 5.390 1.00 0.00 C ATOM 132 NH1 ARG A 72 3.205 -9.493 6.431 1.00 0.00 N ATOM 133 NH2 ARG A 72 5.155 -10.135 5.407 1.00 0.00 N ATOM 0 H ARG A 72 1.464 -5.999 -0.208 1.00 0.00 H new ATOM 0 HA ARG A 72 4.145 -6.228 1.028 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.638 -7.893 1.441 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.235 -8.492 1.840 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.428 -6.255 3.233 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.678 -6.255 3.128 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.317 -7.387 5.172 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.640 -8.573 4.074 1.00 0.00 H new ATOM 0 HE ARG A 72 4.364 -8.684 3.547 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.334 -8.963 6.421 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.446 -10.063 7.242 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.787 -10.099 4.607 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.393 -10.703 6.220 1.00 0.00 H new ATOM 147 N GLY A 73 4.918 -7.833 -0.701 1.00 0.00 N ATOM 148 CA GLY A 73 5.389 -8.641 -1.811 1.00 0.00 C ATOM 149 C GLY A 73 5.730 -7.808 -3.031 1.00 0.00 C ATOM 150 O GLY A 73 4.930 -7.698 -3.960 1.00 0.00 O ATOM 0 H GLY A 73 5.649 -7.504 -0.070 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.270 -9.202 -1.500 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.624 -9.371 -2.076 1.00 0.00 H new ATOM 154 N LEU A 74 6.920 -7.218 -3.028 1.00 0.00 N ATOM 155 CA LEU A 74 7.366 -6.389 -4.143 1.00 0.00 C ATOM 156 C LEU A 74 8.555 -7.026 -4.854 1.00 0.00 C ATOM 157 O LEU A 74 9.365 -7.730 -4.251 1.00 0.00 O ATOM 158 CB LEU A 74 7.741 -4.992 -3.646 1.00 0.00 C ATOM 159 CG LEU A 74 6.602 -4.160 -3.057 1.00 0.00 C ATOM 160 CD1 LEU A 74 7.152 -2.959 -2.304 1.00 0.00 C ATOM 161 CD2 LEU A 74 5.646 -3.713 -4.153 1.00 0.00 C ATOM 0 H LEU A 74 7.594 -7.298 -2.266 1.00 0.00 H new ATOM 0 HA LEU A 74 6.544 -6.306 -4.854 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.518 -5.094 -2.889 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.177 -4.438 -4.477 1.00 0.00 H new ATOM 0 HG LEU A 74 6.050 -4.782 -2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.326 -2.379 -1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.795 -3.301 -1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.729 -2.335 -2.986 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.842 -3.122 -3.715 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.185 -3.108 -4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.225 -4.588 -4.648 1.00 0.00 H new ATOM 173 N PRO A 75 8.667 -6.771 -6.166 1.00 0.00 N ATOM 174 CA PRO A 75 9.756 -7.307 -6.987 1.00 0.00 C ATOM 175 C PRO A 75 11.102 -6.674 -6.650 1.00 0.00 C ATOM 176 O PRO A 75 11.180 -5.755 -5.836 1.00 0.00 O ATOM 177 CB PRO A 75 9.337 -6.945 -8.414 1.00 0.00 C ATOM 178 CG PRO A 75 8.454 -5.755 -8.258 1.00 0.00 C ATOM 179 CD PRO A 75 7.738 -5.939 -6.949 1.00 0.00 C ATOM 0 HA PRO A 75 9.897 -8.376 -6.828 1.00 0.00 H new ATOM 0 HB2 PRO A 75 10.203 -6.717 -9.035 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.809 -7.770 -8.893 1.00 0.00 H new ATOM 0 HG2 PRO A 75 9.037 -4.834 -8.258 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.746 -5.684 -9.083 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.543 -4.985 -6.460 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.774 -6.430 -7.084 1.00 0.00 H new ATOM 187 N GLY A 76 12.160 -7.171 -7.283 1.00 0.00 N ATOM 188 CA GLY A 76 13.488 -6.641 -7.037 1.00 0.00 C ATOM 189 C GLY A 76 13.764 -5.377 -7.828 1.00 0.00 C ATOM 190 O GLY A 76 14.802 -4.739 -7.649 1.00 0.00 O ATOM 0 H GLY A 76 12.121 -7.931 -7.962 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.601 -6.432 -5.973 1.00 0.00 H new ATOM 0 HA3 GLY A 76 14.231 -7.396 -7.294 1.00 0.00 H new ATOM 194 N ASP A 77 12.834 -5.016 -8.705 1.00 0.00 N ATOM 195 CA ASP A 77 12.982 -3.820 -9.527 1.00 0.00 C ATOM 196 C ASP A 77 11.972 -2.752 -9.119 1.00 0.00 C ATOM 197 O ASP A 77 11.888 -1.693 -9.740 1.00 0.00 O ATOM 198 CB ASP A 77 12.807 -4.167 -11.006 1.00 0.00 C ATOM 199 CG ASP A 77 13.952 -5.002 -11.544 1.00 0.00 C ATOM 200 OD1 ASP A 77 14.961 -4.413 -11.985 1.00 0.00 O ATOM 201 OD2 ASP A 77 13.840 -6.246 -11.523 1.00 0.00 O ATOM 0 H ASP A 77 11.970 -5.534 -8.865 1.00 0.00 H new ATOM 0 HA ASP A 77 13.985 -3.424 -9.371 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.871 -4.709 -11.141 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.729 -3.247 -11.585 1.00 0.00 H new ATOM 206 N VAL A 78 11.205 -3.039 -8.072 1.00 0.00 N ATOM 207 CA VAL A 78 10.200 -2.103 -7.581 1.00 0.00 C ATOM 208 C VAL A 78 10.823 -0.752 -7.250 1.00 0.00 C ATOM 209 O VAL A 78 11.648 -0.640 -6.342 1.00 0.00 O ATOM 210 CB VAL A 78 9.490 -2.649 -6.328 1.00 0.00 C ATOM 211 CG1 VAL A 78 10.500 -2.957 -5.233 1.00 0.00 C ATOM 212 CG2 VAL A 78 8.443 -1.661 -5.837 1.00 0.00 C ATOM 0 H VAL A 78 11.260 -3.912 -7.547 1.00 0.00 H new ATOM 0 HA VAL A 78 9.468 -1.977 -8.379 1.00 0.00 H new ATOM 0 HB VAL A 78 8.984 -3.577 -6.593 1.00 0.00 H new ATOM 0 HG11 VAL A 78 9.980 -3.342 -4.356 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.209 -3.704 -5.591 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.037 -2.046 -4.966 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.951 -2.063 -4.951 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.924 -0.715 -5.588 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.703 -1.496 -6.620 1.00 0.00 H new ATOM 222 N THR A 79 10.423 0.276 -7.993 1.00 0.00 N ATOM 223 CA THR A 79 10.941 1.621 -7.780 1.00 0.00 C ATOM 224 C THR A 79 9.822 2.591 -7.418 1.00 0.00 C ATOM 225 O THR A 79 8.643 2.276 -7.569 1.00 0.00 O ATOM 226 CB THR A 79 11.675 2.145 -9.029 1.00 0.00 C ATOM 227 OG1 THR A 79 12.223 3.442 -8.767 1.00 0.00 O ATOM 228 CG2 THR A 79 10.732 2.218 -10.220 1.00 0.00 C ATOM 0 H THR A 79 9.741 0.202 -8.748 1.00 0.00 H new ATOM 0 HA THR A 79 11.647 1.560 -6.952 1.00 0.00 H new ATOM 0 HB THR A 79 12.482 1.452 -9.267 1.00 0.00 H new ATOM 0 HG1 THR A 79 12.689 3.767 -9.565 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.273 2.591 -11.090 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.340 1.224 -10.435 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.907 2.892 -9.990 1.00 0.00 H new ATOM 236 N ASN A 80 10.201 3.772 -6.940 1.00 0.00 N ATOM 237 CA ASN A 80 9.228 4.788 -6.557 1.00 0.00 C ATOM 238 C ASN A 80 8.306 5.127 -7.725 1.00 0.00 C ATOM 239 O ASN A 80 7.138 5.463 -7.529 1.00 0.00 O ATOM 240 CB ASN A 80 9.943 6.052 -6.073 1.00 0.00 C ATOM 241 CG ASN A 80 10.693 6.754 -7.189 1.00 0.00 C ATOM 242 OD1 ASN A 80 10.090 7.256 -8.138 1.00 0.00 O ATOM 243 ND2 ASN A 80 12.015 6.793 -7.079 1.00 0.00 N ATOM 0 H ASN A 80 11.174 4.049 -6.809 1.00 0.00 H new ATOM 0 HA ASN A 80 8.622 4.387 -5.744 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.213 6.737 -5.642 1.00 0.00 H new ATOM 0 HB3 ASN A 80 10.641 5.790 -5.278 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.573 7.252 -7.798 1.00 0.00 H new ATOM 0 HD22 ASN A 80 12.473 6.364 -6.275 1.00 0.00 H new ATOM 250 N GLN A 81 8.840 5.037 -8.938 1.00 0.00 N ATOM 251 CA GLN A 81 8.066 5.334 -10.138 1.00 0.00 C ATOM 252 C GLN A 81 6.911 4.350 -10.298 1.00 0.00 C ATOM 253 O GLN A 81 5.839 4.711 -10.780 1.00 0.00 O ATOM 254 CB GLN A 81 8.964 5.290 -11.375 1.00 0.00 C ATOM 255 CG GLN A 81 8.318 5.880 -12.618 1.00 0.00 C ATOM 256 CD GLN A 81 8.565 7.369 -12.753 1.00 0.00 C ATOM 257 OE1 GLN A 81 9.580 7.794 -13.306 1.00 0.00 O ATOM 258 NE2 GLN A 81 7.636 8.172 -12.248 1.00 0.00 N ATOM 0 H GLN A 81 9.806 4.761 -9.117 1.00 0.00 H new ATOM 0 HA GLN A 81 7.653 6.337 -10.034 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.886 5.831 -11.163 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.241 4.255 -11.576 1.00 0.00 H new ATOM 0 HG2 GLN A 81 8.704 5.370 -13.500 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.244 5.695 -12.587 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.810 7.777 -11.798 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.748 9.184 -12.310 1.00 0.00 H new ATOM 267 N GLU A 82 7.140 3.105 -9.890 1.00 0.00 N ATOM 268 CA GLU A 82 6.118 2.070 -9.990 1.00 0.00 C ATOM 269 C GLU A 82 4.918 2.402 -9.108 1.00 0.00 C ATOM 270 O GLU A 82 3.769 2.287 -9.534 1.00 0.00 O ATOM 271 CB GLU A 82 6.697 0.711 -9.591 1.00 0.00 C ATOM 272 CG GLU A 82 5.707 -0.434 -9.720 1.00 0.00 C ATOM 273 CD GLU A 82 5.975 -1.552 -8.731 1.00 0.00 C ATOM 274 OE1 GLU A 82 7.040 -2.195 -8.837 1.00 0.00 O ATOM 275 OE2 GLU A 82 5.120 -1.783 -7.850 1.00 0.00 O ATOM 0 H GLU A 82 8.023 2.790 -9.488 1.00 0.00 H new ATOM 0 HA GLU A 82 5.783 2.025 -11.026 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.567 0.500 -10.213 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.047 0.763 -8.560 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.697 -0.054 -9.568 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.749 -0.833 -10.734 1.00 0.00 H new ATOM 282 N VAL A 83 5.194 2.816 -7.875 1.00 0.00 N ATOM 283 CA VAL A 83 4.139 3.166 -6.932 1.00 0.00 C ATOM 284 C VAL A 83 3.439 4.456 -7.345 1.00 0.00 C ATOM 285 O VAL A 83 2.218 4.574 -7.240 1.00 0.00 O ATOM 286 CB VAL A 83 4.693 3.329 -5.504 1.00 0.00 C ATOM 287 CG1 VAL A 83 5.104 1.980 -4.934 1.00 0.00 C ATOM 288 CG2 VAL A 83 5.864 4.300 -5.496 1.00 0.00 C ATOM 0 H VAL A 83 6.140 2.917 -7.506 1.00 0.00 H new ATOM 0 HA VAL A 83 3.420 2.347 -6.943 1.00 0.00 H new ATOM 0 HB VAL A 83 3.906 3.739 -4.871 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.493 2.115 -3.925 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.238 1.319 -4.904 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.876 1.539 -5.564 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.244 4.404 -4.480 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.656 3.921 -6.142 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.533 5.272 -5.861 1.00 0.00 H new ATOM 298 N HIS A 84 4.221 5.423 -7.815 1.00 0.00 N ATOM 299 CA HIS A 84 3.677 6.706 -8.245 1.00 0.00 C ATOM 300 C HIS A 84 2.757 6.529 -9.449 1.00 0.00 C ATOM 301 O HIS A 84 1.654 7.076 -9.486 1.00 0.00 O ATOM 302 CB HIS A 84 4.808 7.674 -8.590 1.00 0.00 C ATOM 303 CG HIS A 84 5.270 8.496 -7.426 1.00 0.00 C ATOM 304 ND1 HIS A 84 4.714 9.714 -7.098 1.00 0.00 N ATOM 305 CD2 HIS A 84 6.239 8.267 -6.510 1.00 0.00 C ATOM 306 CE1 HIS A 84 5.323 10.200 -6.031 1.00 0.00 C ATOM 307 NE2 HIS A 84 6.252 9.340 -5.654 1.00 0.00 N ATOM 0 H HIS A 84 5.234 5.342 -7.908 1.00 0.00 H new ATOM 0 HA HIS A 84 3.094 7.120 -7.422 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.653 7.108 -8.982 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.474 8.341 -9.385 1.00 0.00 H new ATOM 0 HD2 HIS A 84 6.883 7.401 -6.461 1.00 0.00 H new ATOM 0 HE1 HIS A 84 5.099 11.140 -5.549 1.00 0.00 H new ATOM 0 HE2 HIS A 84 6.877 9.455 -4.856 1.00 0.00 H new ATOM 316 N ASP A 85 3.217 5.763 -10.432 1.00 0.00 N ATOM 317 CA ASP A 85 2.436 5.514 -11.638 1.00 0.00 C ATOM 318 C ASP A 85 1.171 4.726 -11.313 1.00 0.00 C ATOM 319 O ASP A 85 0.116 4.951 -11.909 1.00 0.00 O ATOM 320 CB ASP A 85 3.275 4.755 -12.667 1.00 0.00 C ATOM 321 CG ASP A 85 2.754 4.930 -14.080 1.00 0.00 C ATOM 322 OD1 ASP A 85 2.784 6.071 -14.587 1.00 0.00 O ATOM 323 OD2 ASP A 85 2.318 3.925 -14.680 1.00 0.00 O ATOM 0 H ASP A 85 4.127 5.303 -10.417 1.00 0.00 H new ATOM 0 HA ASP A 85 2.145 6.477 -12.058 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.307 5.102 -12.618 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.283 3.695 -12.414 1.00 0.00 H new ATOM 328 N LEU A 86 1.283 3.802 -10.366 1.00 0.00 N ATOM 329 CA LEU A 86 0.149 2.979 -9.962 1.00 0.00 C ATOM 330 C LEU A 86 -0.949 3.834 -9.337 1.00 0.00 C ATOM 331 O LEU A 86 -2.138 3.578 -9.535 1.00 0.00 O ATOM 332 CB LEU A 86 0.600 1.904 -8.971 1.00 0.00 C ATOM 333 CG LEU A 86 -0.512 1.072 -8.330 1.00 0.00 C ATOM 334 CD1 LEU A 86 -1.274 0.293 -9.391 1.00 0.00 C ATOM 335 CD2 LEU A 86 0.064 0.129 -7.284 1.00 0.00 C ATOM 0 H LEU A 86 2.148 3.604 -9.863 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.254 2.497 -10.853 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.282 1.227 -9.486 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.169 2.387 -8.176 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.208 1.749 -7.836 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.061 -0.293 -8.917 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.718 0.988 -10.104 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.589 -0.375 -9.914 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.741 -0.455 -6.838 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.782 -0.543 -7.755 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.565 0.708 -6.508 1.00 0.00 H new ATOM 347 N LEU A 87 -0.544 4.850 -8.585 1.00 0.00 N ATOM 348 CA LEU A 87 -1.493 5.746 -7.932 1.00 0.00 C ATOM 349 C LEU A 87 -1.417 7.148 -8.528 1.00 0.00 C ATOM 350 O LEU A 87 -1.608 8.142 -7.828 1.00 0.00 O ATOM 351 CB LEU A 87 -1.220 5.803 -6.428 1.00 0.00 C ATOM 352 CG LEU A 87 -1.821 4.672 -5.593 1.00 0.00 C ATOM 353 CD1 LEU A 87 -1.107 4.558 -4.256 1.00 0.00 C ATOM 354 CD2 LEU A 87 -3.312 4.897 -5.386 1.00 0.00 C ATOM 0 H LEU A 87 0.436 5.075 -8.412 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.497 5.355 -8.098 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.141 5.807 -6.275 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.599 6.751 -6.046 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.686 3.735 -6.134 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.549 3.748 -3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.050 4.350 -4.424 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.209 5.495 -3.708 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.724 4.083 -4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.469 5.842 -4.866 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.813 4.927 -6.353 1.00 0.00 H new ATOM 366 N SER A 88 -1.139 7.219 -9.826 1.00 0.00 N ATOM 367 CA SER A 88 -1.036 8.499 -10.517 1.00 0.00 C ATOM 368 C SER A 88 -2.417 9.024 -10.896 1.00 0.00 C ATOM 369 O SER A 88 -2.544 9.930 -11.720 1.00 0.00 O ATOM 370 CB SER A 88 -0.169 8.359 -11.769 1.00 0.00 C ATOM 371 OG SER A 88 -0.024 9.604 -12.431 1.00 0.00 O ATOM 0 H SER A 88 -0.981 6.405 -10.420 1.00 0.00 H new ATOM 0 HA SER A 88 -0.569 9.213 -9.839 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.813 7.973 -11.494 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.618 7.633 -12.447 1.00 0.00 H new ATOM 0 HG SER A 88 -0.881 10.079 -12.426 1.00 0.00 H new ATOM 377 N ASP A 89 -3.449 8.448 -10.290 1.00 0.00 N ATOM 378 CA ASP A 89 -4.822 8.857 -10.563 1.00 0.00 C ATOM 379 C ASP A 89 -5.403 9.632 -9.384 1.00 0.00 C ATOM 380 O ASP A 89 -6.344 10.410 -9.543 1.00 0.00 O ATOM 381 CB ASP A 89 -5.691 7.634 -10.863 1.00 0.00 C ATOM 382 CG ASP A 89 -5.525 7.141 -12.287 1.00 0.00 C ATOM 383 OD1 ASP A 89 -5.446 7.987 -13.202 1.00 0.00 O ATOM 384 OD2 ASP A 89 -5.475 5.909 -12.487 1.00 0.00 O ATOM 0 H ASP A 89 -3.361 7.696 -9.606 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.814 9.510 -11.436 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -5.435 6.831 -10.172 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.737 7.884 -10.688 1.00 0.00 H new ATOM 389 N TYR A 90 -4.837 9.413 -8.203 1.00 0.00 N ATOM 390 CA TYR A 90 -5.300 10.088 -6.997 1.00 0.00 C ATOM 391 C TYR A 90 -4.246 11.063 -6.479 1.00 0.00 C ATOM 392 O TYR A 90 -3.137 11.132 -7.007 1.00 0.00 O ATOM 393 CB TYR A 90 -5.641 9.064 -5.913 1.00 0.00 C ATOM 394 CG TYR A 90 -6.443 7.888 -6.422 1.00 0.00 C ATOM 395 CD1 TYR A 90 -5.812 6.762 -6.936 1.00 0.00 C ATOM 396 CD2 TYR A 90 -7.832 7.902 -6.387 1.00 0.00 C ATOM 397 CE1 TYR A 90 -6.540 5.685 -7.403 1.00 0.00 C ATOM 398 CE2 TYR A 90 -8.569 6.829 -6.850 1.00 0.00 C ATOM 399 CZ TYR A 90 -7.918 5.723 -7.357 1.00 0.00 C ATOM 400 OH TYR A 90 -8.648 4.652 -7.820 1.00 0.00 O ATOM 0 H TYR A 90 -4.057 8.773 -8.055 1.00 0.00 H new ATOM 0 HA TYR A 90 -6.198 10.652 -7.249 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -4.716 8.697 -5.468 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -6.202 9.560 -5.120 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -4.733 6.728 -6.971 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.344 8.766 -5.991 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -6.033 4.819 -7.802 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.648 6.856 -6.815 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.604 4.838 -7.715 1.00 0.00 H new ATOM 410 N GLU A 91 -4.603 11.813 -5.441 1.00 0.00 N ATOM 411 CA GLU A 91 -3.689 12.784 -4.851 1.00 0.00 C ATOM 412 C GLU A 91 -2.694 12.098 -3.919 1.00 0.00 C ATOM 413 O GLU A 91 -3.059 11.622 -2.844 1.00 0.00 O ATOM 414 CB GLU A 91 -4.470 13.852 -4.083 1.00 0.00 C ATOM 415 CG GLU A 91 -4.859 15.050 -4.933 1.00 0.00 C ATOM 416 CD GLU A 91 -3.673 15.927 -5.283 1.00 0.00 C ATOM 417 OE1 GLU A 91 -2.751 16.038 -4.448 1.00 0.00 O ATOM 418 OE2 GLU A 91 -3.667 16.503 -6.392 1.00 0.00 O ATOM 0 H GLU A 91 -5.518 11.767 -4.992 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.135 13.261 -5.660 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.372 13.403 -3.669 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.869 14.194 -3.241 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.332 14.701 -5.851 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.600 15.644 -4.399 1.00 0.00 H new ATOM 425 N LEU A 92 -1.435 12.050 -4.340 1.00 0.00 N ATOM 426 CA LEU A 92 -0.385 11.422 -3.545 1.00 0.00 C ATOM 427 C LEU A 92 0.239 12.424 -2.578 1.00 0.00 C ATOM 428 O LEU A 92 1.193 13.123 -2.921 1.00 0.00 O ATOM 429 CB LEU A 92 0.693 10.837 -4.458 1.00 0.00 C ATOM 430 CG LEU A 92 0.374 9.483 -5.092 1.00 0.00 C ATOM 431 CD1 LEU A 92 1.418 9.124 -6.138 1.00 0.00 C ATOM 432 CD2 LEU A 92 0.291 8.401 -4.025 1.00 0.00 C ATOM 0 H LEU A 92 -1.116 12.438 -5.228 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.836 10.617 -2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.891 11.552 -5.257 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.614 10.738 -3.883 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.595 9.554 -5.586 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.174 8.157 -6.578 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.429 9.886 -6.918 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.400 9.072 -5.669 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.063 7.444 -4.494 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.245 8.331 -3.503 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.495 8.652 -3.313 1.00 0.00 H new ATOM 444 N LYS A 93 -0.305 12.487 -1.367 1.00 0.00 N ATOM 445 CA LYS A 93 0.200 13.400 -0.349 1.00 0.00 C ATOM 446 C LYS A 93 1.568 12.950 0.156 1.00 0.00 C ATOM 447 O LYS A 93 2.410 13.774 0.513 1.00 0.00 O ATOM 448 CB LYS A 93 -0.783 13.486 0.821 1.00 0.00 C ATOM 449 CG LYS A 93 -2.006 14.337 0.526 1.00 0.00 C ATOM 450 CD LYS A 93 -1.683 15.820 0.598 1.00 0.00 C ATOM 451 CE LYS A 93 -2.843 16.668 0.098 1.00 0.00 C ATOM 452 NZ LYS A 93 -2.436 18.082 -0.136 1.00 0.00 N ATOM 0 H LYS A 93 -1.096 11.916 -1.067 1.00 0.00 H new ATOM 0 HA LYS A 93 0.305 14.386 -0.802 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.106 12.480 1.088 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.267 13.895 1.689 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.389 14.095 -0.465 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.796 14.101 1.239 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.448 16.093 1.627 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -0.795 16.029 0.002 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.230 16.244 -0.828 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.654 16.639 0.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.254 18.627 -0.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.090 18.495 0.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -1.680 18.112 -0.849 1.00 0.00 H new ATOM 466 N TYR A 94 1.782 11.640 0.180 1.00 0.00 N ATOM 467 CA TYR A 94 3.048 11.081 0.641 1.00 0.00 C ATOM 468 C TYR A 94 3.254 9.672 0.093 1.00 0.00 C ATOM 469 O TYR A 94 2.357 8.831 0.159 1.00 0.00 O ATOM 470 CB TYR A 94 3.091 11.056 2.170 1.00 0.00 C ATOM 471 CG TYR A 94 4.250 10.263 2.730 1.00 0.00 C ATOM 472 CD1 TYR A 94 5.558 10.548 2.356 1.00 0.00 C ATOM 473 CD2 TYR A 94 4.038 9.228 3.632 1.00 0.00 C ATOM 474 CE1 TYR A 94 6.620 9.826 2.864 1.00 0.00 C ATOM 475 CE2 TYR A 94 5.095 8.501 4.147 1.00 0.00 C ATOM 476 CZ TYR A 94 6.383 8.804 3.760 1.00 0.00 C ATOM 477 OH TYR A 94 7.438 8.082 4.269 1.00 0.00 O ATOM 0 H TYR A 94 1.096 10.945 -0.114 1.00 0.00 H new ATOM 0 HA TYR A 94 3.853 11.716 0.271 1.00 0.00 H new ATOM 0 HB2 TYR A 94 3.149 12.080 2.540 1.00 0.00 H new ATOM 0 HB3 TYR A 94 2.158 10.634 2.545 1.00 0.00 H new ATOM 0 HD1 TYR A 94 5.747 11.348 1.656 1.00 0.00 H new ATOM 0 HD2 TYR A 94 3.030 8.987 3.936 1.00 0.00 H new ATOM 0 HE1 TYR A 94 7.630 10.060 2.562 1.00 0.00 H new ATOM 0 HE2 TYR A 94 4.913 7.700 4.848 1.00 0.00 H new ATOM 0 HH TYR A 94 7.100 7.400 4.886 1.00 0.00 H new ATOM 487 N CYS A 95 4.441 9.423 -0.448 1.00 0.00 N ATOM 488 CA CYS A 95 4.767 8.117 -1.009 1.00 0.00 C ATOM 489 C CYS A 95 6.046 7.563 -0.390 1.00 0.00 C ATOM 490 O CYS A 95 7.068 8.247 -0.336 1.00 0.00 O ATOM 491 CB CYS A 95 4.921 8.215 -2.528 1.00 0.00 C ATOM 492 SG CYS A 95 5.410 6.666 -3.322 1.00 0.00 S ATOM 0 H CYS A 95 5.194 10.108 -0.510 1.00 0.00 H new ATOM 0 HA CYS A 95 3.949 7.435 -0.778 1.00 0.00 H new ATOM 0 HB2 CYS A 95 3.976 8.548 -2.957 1.00 0.00 H new ATOM 0 HB3 CYS A 95 5.663 8.979 -2.759 1.00 0.00 H new ATOM 0 HG CYS A 95 6.421 6.882 -4.110 1.00 0.00 H new ATOM 498 N PHE A 96 5.981 6.320 0.076 1.00 0.00 N ATOM 499 CA PHE A 96 7.134 5.675 0.694 1.00 0.00 C ATOM 500 C PHE A 96 7.315 4.257 0.159 1.00 0.00 C ATOM 501 O PHE A 96 6.418 3.421 0.270 1.00 0.00 O ATOM 502 CB PHE A 96 6.971 5.641 2.215 1.00 0.00 C ATOM 503 CG PHE A 96 8.142 5.030 2.930 1.00 0.00 C ATOM 504 CD1 PHE A 96 9.420 5.536 2.754 1.00 0.00 C ATOM 505 CD2 PHE A 96 7.966 3.949 3.778 1.00 0.00 C ATOM 506 CE1 PHE A 96 10.499 4.975 3.409 1.00 0.00 C ATOM 507 CE2 PHE A 96 9.041 3.383 4.437 1.00 0.00 C ATOM 508 CZ PHE A 96 10.309 3.898 4.253 1.00 0.00 C ATOM 0 H PHE A 96 5.143 5.740 0.038 1.00 0.00 H new ATOM 0 HA PHE A 96 8.022 6.256 0.443 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.823 6.658 2.579 1.00 0.00 H new ATOM 0 HB3 PHE A 96 6.070 5.079 2.463 1.00 0.00 H new ATOM 0 HD1 PHE A 96 9.574 6.379 2.097 1.00 0.00 H new ATOM 0 HD2 PHE A 96 6.976 3.543 3.926 1.00 0.00 H new ATOM 0 HE1 PHE A 96 11.490 5.378 3.261 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.890 2.540 5.094 1.00 0.00 H new ATOM 0 HZ PHE A 96 11.151 3.459 4.768 1.00 0.00 H new ATOM 518 N VAL A 97 8.481 3.995 -0.421 1.00 0.00 N ATOM 519 CA VAL A 97 8.782 2.680 -0.974 1.00 0.00 C ATOM 520 C VAL A 97 9.959 2.036 -0.250 1.00 0.00 C ATOM 521 O VAL A 97 11.064 2.580 -0.234 1.00 0.00 O ATOM 522 CB VAL A 97 9.100 2.762 -2.478 1.00 0.00 C ATOM 523 CG1 VAL A 97 9.541 1.405 -3.006 1.00 0.00 C ATOM 524 CG2 VAL A 97 7.895 3.277 -3.250 1.00 0.00 C ATOM 0 H VAL A 97 9.234 4.676 -0.520 1.00 0.00 H new ATOM 0 HA VAL A 97 7.892 2.066 -0.833 1.00 0.00 H new ATOM 0 HB VAL A 97 9.921 3.465 -2.620 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.761 1.483 -4.071 1.00 0.00 H new ATOM 0 HG12 VAL A 97 10.435 1.080 -2.473 1.00 0.00 H new ATOM 0 HG13 VAL A 97 8.743 0.678 -2.853 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.138 3.329 -4.311 1.00 0.00 H new ATOM 0 HG22 VAL A 97 7.053 2.601 -3.103 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.630 4.271 -2.890 1.00 0.00 H new ATOM 534 N ASP A 98 9.717 0.874 0.346 1.00 0.00 N ATOM 535 CA ASP A 98 10.758 0.154 1.070 1.00 0.00 C ATOM 536 C ASP A 98 11.174 -1.104 0.315 1.00 0.00 C ATOM 537 O ASP A 98 10.403 -2.058 0.202 1.00 0.00 O ATOM 538 CB ASP A 98 10.271 -0.215 2.472 1.00 0.00 C ATOM 539 CG ASP A 98 11.379 -0.780 3.340 1.00 0.00 C ATOM 540 OD1 ASP A 98 12.301 -1.414 2.785 1.00 0.00 O ATOM 541 OD2 ASP A 98 11.324 -0.588 4.573 1.00 0.00 O ATOM 0 H ASP A 98 8.809 0.410 0.342 1.00 0.00 H new ATOM 0 HA ASP A 98 11.626 0.808 1.156 1.00 0.00 H new ATOM 0 HB2 ASP A 98 9.852 0.669 2.952 1.00 0.00 H new ATOM 0 HB3 ASP A 98 9.466 -0.946 2.393 1.00 0.00 H new ATOM 546 N LYS A 99 12.398 -1.100 -0.202 1.00 0.00 N ATOM 547 CA LYS A 99 12.919 -2.240 -0.947 1.00 0.00 C ATOM 548 C LYS A 99 13.553 -3.261 -0.007 1.00 0.00 C ATOM 549 O LYS A 99 13.809 -4.401 -0.394 1.00 0.00 O ATOM 550 CB LYS A 99 13.947 -1.775 -1.980 1.00 0.00 C ATOM 551 CG LYS A 99 15.197 -1.169 -1.364 1.00 0.00 C ATOM 552 CD LYS A 99 16.401 -1.325 -2.277 1.00 0.00 C ATOM 553 CE LYS A 99 16.502 -0.175 -3.267 1.00 0.00 C ATOM 554 NZ LYS A 99 16.683 1.134 -2.580 1.00 0.00 N ATOM 0 H LYS A 99 13.048 -0.319 -0.119 1.00 0.00 H new ATOM 0 HA LYS A 99 12.085 -2.716 -1.463 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.233 -2.623 -2.603 1.00 0.00 H new ATOM 0 HB3 LYS A 99 13.483 -1.040 -2.637 1.00 0.00 H new ATOM 0 HG2 LYS A 99 15.028 -0.111 -1.161 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.401 -1.648 -0.407 1.00 0.00 H new ATOM 0 HD2 LYS A 99 17.310 -1.371 -1.677 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.328 -2.268 -2.819 1.00 0.00 H new ATOM 0 HE2 LYS A 99 17.340 -0.350 -3.942 1.00 0.00 H new ATOM 0 HE3 LYS A 99 15.601 -0.142 -3.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 17.202 1.785 -3.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 15.752 1.539 -2.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 17.222 0.993 -1.702 1.00 0.00 H new ATOM 568 N TYR A 100 13.801 -2.844 1.230 1.00 0.00 N ATOM 569 CA TYR A 100 14.406 -3.722 2.225 1.00 0.00 C ATOM 570 C TYR A 100 13.396 -4.745 2.735 1.00 0.00 C ATOM 571 O TYR A 100 13.604 -5.953 2.620 1.00 0.00 O ATOM 572 CB TYR A 100 14.953 -2.902 3.394 1.00 0.00 C ATOM 573 CG TYR A 100 15.595 -1.599 2.973 1.00 0.00 C ATOM 574 CD1 TYR A 100 16.339 -1.517 1.802 1.00 0.00 C ATOM 575 CD2 TYR A 100 15.460 -0.453 3.745 1.00 0.00 C ATOM 576 CE1 TYR A 100 16.929 -0.329 1.413 1.00 0.00 C ATOM 577 CE2 TYR A 100 16.045 0.739 3.363 1.00 0.00 C ATOM 578 CZ TYR A 100 16.778 0.796 2.196 1.00 0.00 C ATOM 579 OH TYR A 100 17.363 1.981 1.813 1.00 0.00 O ATOM 0 H TYR A 100 13.593 -1.904 1.567 1.00 0.00 H new ATOM 0 HA TYR A 100 15.228 -4.256 1.749 1.00 0.00 H new ATOM 0 HB2 TYR A 100 14.141 -2.689 4.089 1.00 0.00 H new ATOM 0 HB3 TYR A 100 15.686 -3.500 3.935 1.00 0.00 H new ATOM 0 HD1 TYR A 100 16.458 -2.396 1.186 1.00 0.00 H new ATOM 0 HD2 TYR A 100 14.888 -0.494 4.660 1.00 0.00 H new ATOM 0 HE1 TYR A 100 17.505 -0.282 0.501 1.00 0.00 H new ATOM 0 HE2 TYR A 100 15.929 1.621 3.975 1.00 0.00 H new ATOM 0 HH TYR A 100 17.159 2.675 2.474 1.00 0.00 H new ATOM 589 N LYS A 101 12.298 -4.252 3.299 1.00 0.00 N ATOM 590 CA LYS A 101 11.252 -5.121 3.826 1.00 0.00 C ATOM 591 C LYS A 101 10.405 -5.698 2.697 1.00 0.00 C ATOM 592 O LYS A 101 9.747 -6.724 2.865 1.00 0.00 O ATOM 593 CB LYS A 101 10.363 -4.347 4.802 1.00 0.00 C ATOM 594 CG LYS A 101 11.130 -3.696 5.940 1.00 0.00 C ATOM 595 CD LYS A 101 11.333 -4.659 7.098 1.00 0.00 C ATOM 596 CE LYS A 101 12.470 -4.210 8.003 1.00 0.00 C ATOM 597 NZ LYS A 101 13.803 -4.500 7.405 1.00 0.00 N ATOM 0 H LYS A 101 12.110 -3.255 3.403 1.00 0.00 H new ATOM 0 HA LYS A 101 11.730 -5.946 4.355 1.00 0.00 H new ATOM 0 HB2 LYS A 101 9.821 -3.577 4.253 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.619 -5.026 5.218 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.099 -3.352 5.577 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.589 -2.816 6.288 1.00 0.00 H new ATOM 0 HD2 LYS A 101 10.413 -4.732 7.677 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.546 -5.655 6.711 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.382 -3.140 8.193 1.00 0.00 H new ATOM 0 HE3 LYS A 101 12.387 -4.713 8.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 14.548 -4.289 8.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.853 -5.504 7.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.940 -3.910 6.560 1.00 0.00 H new ATOM 611 N GLY A 102 10.427 -5.033 1.546 1.00 0.00 N ATOM 612 CA GLY A 102 9.658 -5.497 0.407 1.00 0.00 C ATOM 613 C GLY A 102 8.228 -4.992 0.428 1.00 0.00 C ATOM 614 O GLY A 102 7.311 -5.681 -0.021 1.00 0.00 O ATOM 0 H GLY A 102 10.964 -4.181 1.382 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.142 -5.169 -0.513 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.655 -6.587 0.394 1.00 0.00 H new ATOM 618 N THR A 103 8.036 -3.786 0.953 1.00 0.00 N ATOM 619 CA THR A 103 6.708 -3.190 1.033 1.00 0.00 C ATOM 620 C THR A 103 6.756 -1.697 0.731 1.00 0.00 C ATOM 621 O THR A 103 7.821 -1.081 0.762 1.00 0.00 O ATOM 622 CB THR A 103 6.082 -3.401 2.425 1.00 0.00 C ATOM 623 OG1 THR A 103 6.835 -2.689 3.414 1.00 0.00 O ATOM 624 CG2 THR A 103 6.038 -4.879 2.781 1.00 0.00 C ATOM 0 H THR A 103 8.783 -3.203 1.329 1.00 0.00 H new ATOM 0 HA THR A 103 6.092 -3.689 0.285 1.00 0.00 H new ATOM 0 HB THR A 103 5.061 -3.019 2.401 1.00 0.00 H new ATOM 0 HG1 THR A 103 6.286 -1.967 3.786 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.592 -5.002 3.768 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.440 -5.413 2.043 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.051 -5.282 2.788 1.00 0.00 H new ATOM 632 N ALA A 104 5.595 -1.120 0.438 1.00 0.00 N ATOM 633 CA ALA A 104 5.504 0.302 0.132 1.00 0.00 C ATOM 634 C ALA A 104 4.330 0.947 0.861 1.00 0.00 C ATOM 635 O ALA A 104 3.213 0.431 0.837 1.00 0.00 O ATOM 636 CB ALA A 104 5.375 0.512 -1.369 1.00 0.00 C ATOM 0 H ALA A 104 4.704 -1.616 0.406 1.00 0.00 H new ATOM 0 HA ALA A 104 6.420 0.781 0.477 1.00 0.00 H new ATOM 0 HB1 ALA A 104 5.308 1.579 -1.583 1.00 0.00 H new ATOM 0 HB2 ALA A 104 6.248 0.096 -1.871 1.00 0.00 H new ATOM 0 HB3 ALA A 104 4.476 0.012 -1.730 1.00 0.00 H new ATOM 642 N PHE A 105 4.591 2.077 1.509 1.00 0.00 N ATOM 643 CA PHE A 105 3.556 2.792 2.247 1.00 0.00 C ATOM 644 C PHE A 105 3.253 4.137 1.594 1.00 0.00 C ATOM 645 O PHE A 105 4.151 4.950 1.376 1.00 0.00 O ATOM 646 CB PHE A 105 3.988 3.003 3.700 1.00 0.00 C ATOM 647 CG PHE A 105 4.193 1.721 4.456 1.00 0.00 C ATOM 648 CD1 PHE A 105 5.380 1.017 4.344 1.00 0.00 C ATOM 649 CD2 PHE A 105 3.197 1.221 5.280 1.00 0.00 C ATOM 650 CE1 PHE A 105 5.572 -0.163 5.039 1.00 0.00 C ATOM 651 CE2 PHE A 105 3.383 0.043 5.978 1.00 0.00 C ATOM 652 CZ PHE A 105 4.571 -0.650 5.856 1.00 0.00 C ATOM 0 H PHE A 105 5.510 2.518 1.538 1.00 0.00 H new ATOM 0 HA PHE A 105 2.649 2.187 2.229 1.00 0.00 H new ATOM 0 HB2 PHE A 105 4.914 3.577 3.716 1.00 0.00 H new ATOM 0 HB3 PHE A 105 3.234 3.601 4.212 1.00 0.00 H new ATOM 0 HD1 PHE A 105 6.166 1.394 3.706 1.00 0.00 H new ATOM 0 HD2 PHE A 105 2.265 1.758 5.378 1.00 0.00 H new ATOM 0 HE1 PHE A 105 6.503 -0.702 4.943 1.00 0.00 H new ATOM 0 HE2 PHE A 105 2.600 -0.335 6.618 1.00 0.00 H new ATOM 0 HZ PHE A 105 4.717 -1.572 6.399 1.00 0.00 H new ATOM 662 N VAL A 106 1.980 4.365 1.284 1.00 0.00 N ATOM 663 CA VAL A 106 1.557 5.611 0.657 1.00 0.00 C ATOM 664 C VAL A 106 0.354 6.208 1.377 1.00 0.00 C ATOM 665 O VAL A 106 -0.574 5.493 1.757 1.00 0.00 O ATOM 666 CB VAL A 106 1.201 5.400 -0.827 1.00 0.00 C ATOM 667 CG1 VAL A 106 0.835 6.723 -1.482 1.00 0.00 C ATOM 668 CG2 VAL A 106 2.355 4.733 -1.562 1.00 0.00 C ATOM 0 H VAL A 106 1.224 3.702 1.457 1.00 0.00 H new ATOM 0 HA VAL A 106 2.397 6.302 0.727 1.00 0.00 H new ATOM 0 HB VAL A 106 0.334 4.742 -0.885 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.587 6.554 -2.530 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.024 7.157 -0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.680 7.408 -1.416 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.086 4.592 -2.609 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.241 5.364 -1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 106 2.565 3.765 -1.107 1.00 0.00 H new ATOM 678 N THR A 107 0.374 7.524 1.561 1.00 0.00 N ATOM 679 CA THR A 107 -0.715 8.219 2.237 1.00 0.00 C ATOM 680 C THR A 107 -1.547 9.028 1.249 1.00 0.00 C ATOM 681 O THR A 107 -1.050 9.967 0.626 1.00 0.00 O ATOM 682 CB THR A 107 -0.186 9.159 3.336 1.00 0.00 C ATOM 683 OG1 THR A 107 0.820 8.493 4.108 1.00 0.00 O ATOM 684 CG2 THR A 107 -1.315 9.613 4.249 1.00 0.00 C ATOM 0 H THR A 107 1.133 8.131 1.251 1.00 0.00 H new ATOM 0 HA THR A 107 -1.342 7.454 2.695 1.00 0.00 H new ATOM 0 HB THR A 107 0.247 10.036 2.856 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.152 9.098 4.804 1.00 0.00 H new ATOM 0 HG21 THR A 107 -0.917 10.276 5.017 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.065 10.145 3.663 1.00 0.00 H new ATOM 0 HG23 THR A 107 -1.773 8.744 4.721 1.00 0.00 H new ATOM 692 N LEU A 108 -2.816 8.660 1.110 1.00 0.00 N ATOM 693 CA LEU A 108 -3.718 9.353 0.197 1.00 0.00 C ATOM 694 C LEU A 108 -4.412 10.517 0.898 1.00 0.00 C ATOM 695 O LEU A 108 -4.219 10.740 2.093 1.00 0.00 O ATOM 696 CB LEU A 108 -4.761 8.381 -0.356 1.00 0.00 C ATOM 697 CG LEU A 108 -4.383 7.654 -1.647 1.00 0.00 C ATOM 698 CD1 LEU A 108 -5.359 6.523 -1.929 1.00 0.00 C ATOM 699 CD2 LEU A 108 -4.342 8.628 -2.816 1.00 0.00 C ATOM 0 H LEU A 108 -3.243 7.886 1.618 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.127 9.750 -0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -4.974 7.634 0.409 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.685 8.932 -0.530 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.389 7.226 -1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.074 6.018 -2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.339 5.811 -1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.365 6.928 -2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.071 8.093 -3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -5.323 9.086 -2.943 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.602 9.404 -2.618 1.00 0.00 H new ATOM 711 N LEU A 109 -5.222 11.255 0.146 1.00 0.00 N ATOM 712 CA LEU A 109 -5.948 12.395 0.695 1.00 0.00 C ATOM 713 C LEU A 109 -7.137 11.933 1.531 1.00 0.00 C ATOM 714 O LEU A 109 -7.165 12.121 2.746 1.00 0.00 O ATOM 715 CB LEU A 109 -6.428 13.310 -0.433 1.00 0.00 C ATOM 716 CG LEU A 109 -7.539 14.296 -0.071 1.00 0.00 C ATOM 717 CD1 LEU A 109 -7.046 15.303 0.956 1.00 0.00 C ATOM 718 CD2 LEU A 109 -8.048 15.007 -1.316 1.00 0.00 C ATOM 0 H LEU A 109 -5.392 11.084 -0.845 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.268 12.950 1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.573 13.876 -0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -6.777 12.686 -1.256 1.00 0.00 H new ATOM 0 HG LEU A 109 -8.366 13.737 0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -7.851 15.996 1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.732 14.778 1.858 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -6.202 15.857 0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -8.838 15.705 -1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -7.229 15.553 -1.783 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -8.442 14.273 -2.019 1.00 0.00 H new ATOM 730 N ASN A 110 -8.117 11.324 0.871 1.00 0.00 N ATOM 731 CA ASN A 110 -9.308 10.833 1.553 1.00 0.00 C ATOM 732 C ASN A 110 -9.245 9.319 1.736 1.00 0.00 C ATOM 733 O ASN A 110 -8.299 8.669 1.295 1.00 0.00 O ATOM 734 CB ASN A 110 -10.565 11.210 0.766 1.00 0.00 C ATOM 735 CG ASN A 110 -10.676 12.705 0.537 1.00 0.00 C ATOM 736 OD1 ASN A 110 -10.392 13.504 1.429 1.00 0.00 O ATOM 737 ND2 ASN A 110 -11.091 13.090 -0.664 1.00 0.00 N ATOM 0 H ASN A 110 -8.109 11.159 -0.136 1.00 0.00 H new ATOM 0 HA ASN A 110 -9.350 11.300 2.537 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -10.556 10.697 -0.196 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -11.446 10.861 1.305 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -11.185 14.083 -0.877 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -11.316 12.393 -1.374 1.00 0.00 H new ATOM 744 N GLY A 111 -10.261 8.765 2.391 1.00 0.00 N ATOM 745 CA GLY A 111 -10.302 7.333 2.621 1.00 0.00 C ATOM 746 C GLY A 111 -10.868 6.572 1.438 1.00 0.00 C ATOM 747 O GLY A 111 -10.513 5.416 1.209 1.00 0.00 O ATOM 0 H GLY A 111 -11.056 9.282 2.766 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -9.295 6.973 2.833 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -10.906 7.127 3.504 1.00 0.00 H new ATOM 751 N GLU A 112 -11.753 7.221 0.687 1.00 0.00 N ATOM 752 CA GLU A 112 -12.371 6.596 -0.476 1.00 0.00 C ATOM 753 C GLU A 112 -11.312 6.145 -1.478 1.00 0.00 C ATOM 754 O GLU A 112 -11.385 5.043 -2.020 1.00 0.00 O ATOM 755 CB GLU A 112 -13.344 7.567 -1.147 1.00 0.00 C ATOM 756 CG GLU A 112 -14.478 8.016 -0.241 1.00 0.00 C ATOM 757 CD GLU A 112 -15.402 6.878 0.147 1.00 0.00 C ATOM 758 OE1 GLU A 112 -15.054 6.125 1.081 1.00 0.00 O ATOM 759 OE2 GLU A 112 -16.471 6.739 -0.484 1.00 0.00 O ATOM 0 H GLU A 112 -12.057 8.178 0.863 1.00 0.00 H new ATOM 0 HA GLU A 112 -12.921 5.719 -0.136 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -12.793 8.444 -1.487 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -13.765 7.092 -2.033 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -14.061 8.464 0.661 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -15.055 8.791 -0.745 1.00 0.00 H new ATOM 766 N GLN A 113 -10.330 7.007 -1.720 1.00 0.00 N ATOM 767 CA GLN A 113 -9.257 6.699 -2.658 1.00 0.00 C ATOM 768 C GLN A 113 -8.444 5.500 -2.181 1.00 0.00 C ATOM 769 O GLN A 113 -8.047 4.650 -2.978 1.00 0.00 O ATOM 770 CB GLN A 113 -8.342 7.912 -2.835 1.00 0.00 C ATOM 771 CG GLN A 113 -9.080 9.177 -3.243 1.00 0.00 C ATOM 772 CD GLN A 113 -8.165 10.381 -3.340 1.00 0.00 C ATOM 773 OE1 GLN A 113 -6.998 10.321 -2.951 1.00 0.00 O ATOM 774 NE2 GLN A 113 -8.690 11.484 -3.861 1.00 0.00 N ATOM 0 H GLN A 113 -10.255 7.924 -1.280 1.00 0.00 H new ATOM 0 HA GLN A 113 -9.709 6.450 -3.618 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -7.812 8.096 -1.901 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -7.589 7.682 -3.589 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -9.565 9.016 -4.206 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -9.869 9.382 -2.519 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -9.662 11.489 -4.171 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -8.121 12.326 -3.952 1.00 0.00 H new ATOM 783 N ALA A 114 -8.201 5.438 -0.876 1.00 0.00 N ATOM 784 CA ALA A 114 -7.437 4.342 -0.292 1.00 0.00 C ATOM 785 C ALA A 114 -8.158 3.011 -0.479 1.00 0.00 C ATOM 786 O ALA A 114 -7.550 2.016 -0.873 1.00 0.00 O ATOM 787 CB ALA A 114 -7.182 4.604 1.185 1.00 0.00 C ATOM 0 H ALA A 114 -8.522 6.134 -0.203 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.479 4.283 -0.809 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -6.611 3.778 1.608 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.618 5.530 1.298 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -8.134 4.692 1.709 1.00 0.00 H new ATOM 793 N GLU A 115 -9.456 3.000 -0.192 1.00 0.00 N ATOM 794 CA GLU A 115 -10.257 1.790 -0.327 1.00 0.00 C ATOM 795 C GLU A 115 -10.362 1.367 -1.790 1.00 0.00 C ATOM 796 O GLU A 115 -10.228 0.189 -2.118 1.00 0.00 O ATOM 797 CB GLU A 115 -11.656 2.010 0.253 1.00 0.00 C ATOM 798 CG GLU A 115 -12.658 0.942 -0.152 1.00 0.00 C ATOM 799 CD GLU A 115 -13.773 0.773 0.862 1.00 0.00 C ATOM 800 OE1 GLU A 115 -14.617 1.686 0.974 1.00 0.00 O ATOM 801 OE2 GLU A 115 -13.800 -0.273 1.545 1.00 0.00 O ATOM 0 H GLU A 115 -9.975 3.815 0.135 1.00 0.00 H new ATOM 0 HA GLU A 115 -9.762 0.994 0.229 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -11.589 2.039 1.341 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -12.025 2.984 -0.070 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -13.088 1.201 -1.119 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -12.139 -0.008 -0.278 1.00 0.00 H new ATOM 808 N ALA A 116 -10.605 2.338 -2.664 1.00 0.00 N ATOM 809 CA ALA A 116 -10.727 2.068 -4.092 1.00 0.00 C ATOM 810 C ALA A 116 -9.437 1.476 -4.650 1.00 0.00 C ATOM 811 O ALA A 116 -9.467 0.531 -5.437 1.00 0.00 O ATOM 812 CB ALA A 116 -11.093 3.342 -4.840 1.00 0.00 C ATOM 0 H ALA A 116 -10.721 3.319 -2.409 1.00 0.00 H new ATOM 0 HA ALA A 116 -11.522 1.336 -4.233 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -11.181 3.126 -5.905 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -12.044 3.722 -4.467 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -10.317 4.091 -4.684 1.00 0.00 H new ATOM 818 N ALA A 117 -8.306 2.040 -4.239 1.00 0.00 N ATOM 819 CA ALA A 117 -7.006 1.566 -4.698 1.00 0.00 C ATOM 820 C ALA A 117 -6.703 0.175 -4.150 1.00 0.00 C ATOM 821 O ALA A 117 -6.211 -0.692 -4.872 1.00 0.00 O ATOM 822 CB ALA A 117 -5.914 2.545 -4.291 1.00 0.00 C ATOM 0 H ALA A 117 -8.264 2.825 -3.589 1.00 0.00 H new ATOM 0 HA ALA A 117 -7.034 1.501 -5.786 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -4.948 2.179 -4.640 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -6.115 3.520 -4.736 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -5.896 2.639 -3.205 1.00 0.00 H new ATOM 828 N ILE A 118 -7.001 -0.029 -2.871 1.00 0.00 N ATOM 829 CA ILE A 118 -6.760 -1.315 -2.228 1.00 0.00 C ATOM 830 C ILE A 118 -7.679 -2.393 -2.794 1.00 0.00 C ATOM 831 O ILE A 118 -7.261 -3.531 -3.002 1.00 0.00 O ATOM 832 CB ILE A 118 -6.966 -1.229 -0.704 1.00 0.00 C ATOM 833 CG1 ILE A 118 -5.891 -0.344 -0.071 1.00 0.00 C ATOM 834 CG2 ILE A 118 -6.945 -2.620 -0.088 1.00 0.00 C ATOM 835 CD1 ILE A 118 -6.253 0.152 1.311 1.00 0.00 C ATOM 0 H ILE A 118 -7.409 0.679 -2.260 1.00 0.00 H new ATOM 0 HA ILE A 118 -5.723 -1.581 -2.432 1.00 0.00 H new ATOM 0 HB ILE A 118 -7.940 -0.781 -0.508 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -4.958 -0.904 -0.014 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -5.709 0.513 -0.720 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -7.092 -2.543 0.989 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -7.744 -3.222 -0.521 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -5.984 -3.093 -0.290 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -5.445 0.773 1.698 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -7.169 0.740 1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -6.406 -0.699 1.975 1.00 0.00 H new ATOM 847 N ASN A 119 -8.932 -2.025 -3.042 1.00 0.00 N ATOM 848 CA ASN A 119 -9.910 -2.960 -3.585 1.00 0.00 C ATOM 849 C ASN A 119 -9.405 -3.582 -4.883 1.00 0.00 C ATOM 850 O ASN A 119 -9.461 -4.799 -5.066 1.00 0.00 O ATOM 851 CB ASN A 119 -11.243 -2.251 -3.831 1.00 0.00 C ATOM 852 CG ASN A 119 -12.429 -3.185 -3.690 1.00 0.00 C ATOM 853 OD1 ASN A 119 -12.312 -4.392 -3.901 1.00 0.00 O ATOM 854 ND2 ASN A 119 -13.581 -2.628 -3.332 1.00 0.00 N ATOM 0 H ASN A 119 -9.294 -1.086 -2.875 1.00 0.00 H new ATOM 0 HA ASN A 119 -10.059 -3.756 -2.855 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -11.348 -1.426 -3.127 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -11.242 -1.818 -4.831 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -14.414 -3.206 -3.222 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -13.632 -1.623 -3.167 1.00 0.00 H new ATOM 861 N THR A 120 -8.910 -2.738 -5.784 1.00 0.00 N ATOM 862 CA THR A 120 -8.395 -3.204 -7.066 1.00 0.00 C ATOM 863 C THR A 120 -6.993 -3.783 -6.917 1.00 0.00 C ATOM 864 O THR A 120 -6.706 -4.875 -7.408 1.00 0.00 O ATOM 865 CB THR A 120 -8.361 -2.067 -8.104 1.00 0.00 C ATOM 866 OG1 THR A 120 -9.674 -1.521 -8.275 1.00 0.00 O ATOM 867 CG2 THR A 120 -7.838 -2.570 -9.441 1.00 0.00 C ATOM 0 H THR A 120 -8.855 -1.728 -5.649 1.00 0.00 H new ATOM 0 HA THR A 120 -9.072 -3.984 -7.414 1.00 0.00 H new ATOM 0 HB THR A 120 -7.689 -1.291 -7.738 1.00 0.00 H new ATOM 0 HG1 THR A 120 -9.644 -0.797 -8.935 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.823 -1.749 -10.158 1.00 0.00 H new ATOM 0 HG22 THR A 120 -6.828 -2.959 -9.314 1.00 0.00 H new ATOM 0 HG23 THR A 120 -8.488 -3.363 -9.811 1.00 0.00 H new ATOM 875 N PHE A 121 -6.122 -3.046 -6.237 1.00 0.00 N ATOM 876 CA PHE A 121 -4.748 -3.486 -6.024 1.00 0.00 C ATOM 877 C PHE A 121 -4.712 -4.792 -5.235 1.00 0.00 C ATOM 878 O PHE A 121 -3.766 -5.572 -5.346 1.00 0.00 O ATOM 879 CB PHE A 121 -3.953 -2.408 -5.285 1.00 0.00 C ATOM 880 CG PHE A 121 -3.896 -1.098 -6.017 1.00 0.00 C ATOM 881 CD1 PHE A 121 -4.339 -1.001 -7.326 1.00 0.00 C ATOM 882 CD2 PHE A 121 -3.401 0.037 -5.395 1.00 0.00 C ATOM 883 CE1 PHE A 121 -4.287 0.204 -8.002 1.00 0.00 C ATOM 884 CE2 PHE A 121 -3.347 1.244 -6.066 1.00 0.00 C ATOM 885 CZ PHE A 121 -3.792 1.328 -7.371 1.00 0.00 C ATOM 0 H PHE A 121 -6.343 -2.140 -5.823 1.00 0.00 H new ATOM 0 HA PHE A 121 -4.293 -3.658 -6.999 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -4.399 -2.248 -4.303 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -2.937 -2.767 -5.119 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -4.729 -1.876 -7.824 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -3.053 -0.022 -4.374 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -4.633 0.266 -9.023 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -2.957 2.121 -5.570 1.00 0.00 H new ATOM 0 HZ PHE A 121 -3.753 2.271 -7.897 1.00 0.00 H new ATOM 895 N HIS A 122 -5.750 -5.023 -4.436 1.00 0.00 N ATOM 896 CA HIS A 122 -5.838 -6.233 -3.628 1.00 0.00 C ATOM 897 C HIS A 122 -6.084 -7.457 -4.506 1.00 0.00 C ATOM 898 O HIS A 122 -6.461 -7.330 -5.671 1.00 0.00 O ATOM 899 CB HIS A 122 -6.956 -6.101 -2.593 1.00 0.00 C ATOM 900 CG HIS A 122 -7.221 -7.363 -1.833 1.00 0.00 C ATOM 901 ND1 HIS A 122 -6.289 -7.954 -1.005 1.00 0.00 N ATOM 902 CD2 HIS A 122 -8.322 -8.148 -1.776 1.00 0.00 C ATOM 903 CE1 HIS A 122 -6.805 -9.048 -0.474 1.00 0.00 C ATOM 904 NE2 HIS A 122 -8.038 -9.188 -0.925 1.00 0.00 N ATOM 0 H HIS A 122 -6.541 -4.388 -4.332 1.00 0.00 H new ATOM 0 HA HIS A 122 -4.888 -6.364 -3.111 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -6.696 -5.310 -1.889 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -7.872 -5.791 -3.097 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -9.251 -7.987 -2.302 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -6.304 -9.714 0.212 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -8.676 -9.946 -0.681 1.00 0.00 H new ATOM 913 N GLN A 123 -5.868 -8.639 -3.939 1.00 0.00 N ATOM 914 CA GLN A 123 -6.065 -9.884 -4.672 1.00 0.00 C ATOM 915 C GLN A 123 -5.520 -9.773 -6.092 1.00 0.00 C ATOM 916 O GLN A 123 -5.997 -10.446 -7.005 1.00 0.00 O ATOM 917 CB GLN A 123 -7.551 -10.248 -4.710 1.00 0.00 C ATOM 918 CG GLN A 123 -8.451 -9.090 -5.109 1.00 0.00 C ATOM 919 CD GLN A 123 -9.909 -9.493 -5.212 1.00 0.00 C ATOM 920 OE1 GLN A 123 -10.270 -10.636 -4.931 1.00 0.00 O ATOM 921 NE2 GLN A 123 -10.756 -8.553 -5.615 1.00 0.00 N ATOM 0 H GLN A 123 -5.557 -8.761 -2.975 1.00 0.00 H new ATOM 0 HA GLN A 123 -5.518 -10.672 -4.154 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -7.697 -11.069 -5.411 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -7.853 -10.610 -3.727 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -8.350 -8.288 -4.378 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -8.120 -8.691 -6.068 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -10.413 -7.619 -5.837 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -11.750 -8.765 -5.702 1.00 0.00 H new ATOM 930 N SER A 124 -4.519 -8.917 -6.270 1.00 0.00 N ATOM 931 CA SER A 124 -3.911 -8.714 -7.580 1.00 0.00 C ATOM 932 C SER A 124 -2.617 -9.513 -7.709 1.00 0.00 C ATOM 933 O SER A 124 -2.201 -10.195 -6.773 1.00 0.00 O ATOM 934 CB SER A 124 -3.632 -7.228 -7.811 1.00 0.00 C ATOM 935 OG SER A 124 -2.477 -6.810 -7.105 1.00 0.00 O ATOM 0 H SER A 124 -4.112 -8.353 -5.524 1.00 0.00 H new ATOM 0 HA SER A 124 -4.612 -9.067 -8.337 1.00 0.00 H new ATOM 0 HB2 SER A 124 -3.498 -7.041 -8.877 1.00 0.00 H new ATOM 0 HB3 SER A 124 -4.491 -6.639 -7.490 1.00 0.00 H new ATOM 0 HG SER A 124 -2.695 -6.030 -6.553 1.00 0.00 H new ATOM 941 N ARG A 125 -1.987 -9.421 -8.875 1.00 0.00 N ATOM 942 CA ARG A 125 -0.741 -10.135 -9.128 1.00 0.00 C ATOM 943 C ARG A 125 0.206 -9.293 -9.977 1.00 0.00 C ATOM 944 O ARG A 125 -0.231 -8.481 -10.794 1.00 0.00 O ATOM 945 CB ARG A 125 -1.024 -11.466 -9.828 1.00 0.00 C ATOM 946 CG ARG A 125 -1.805 -12.450 -8.972 1.00 0.00 C ATOM 947 CD ARG A 125 -1.583 -13.883 -9.429 1.00 0.00 C ATOM 948 NE ARG A 125 -2.215 -14.848 -8.533 1.00 0.00 N ATOM 949 CZ ARG A 125 -3.518 -15.103 -8.529 1.00 0.00 C ATOM 950 NH1 ARG A 125 -4.324 -14.469 -9.370 1.00 0.00 N ATOM 951 NH2 ARG A 125 -4.019 -15.994 -7.683 1.00 0.00 N ATOM 0 H ARG A 125 -2.318 -8.859 -9.659 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.263 -10.331 -8.168 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.581 -11.273 -10.745 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -0.078 -11.922 -10.119 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -1.502 -12.348 -7.930 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -2.868 -12.212 -9.020 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -1.982 -14.008 -10.436 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -0.513 -14.085 -9.482 1.00 0.00 H new ATOM 0 HE ARG A 125 -1.623 -15.354 -7.874 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -3.943 -13.783 -10.022 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -5.325 -14.667 -9.365 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -3.403 -16.484 -7.034 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -5.020 -16.189 -7.681 1.00 0.00 H new ATOM 965 N LEU A 126 1.504 -9.491 -9.780 1.00 0.00 N ATOM 966 CA LEU A 126 2.514 -8.749 -10.527 1.00 0.00 C ATOM 967 C LEU A 126 3.691 -9.648 -10.891 1.00 0.00 C ATOM 968 O LEU A 126 4.087 -10.516 -10.113 1.00 0.00 O ATOM 969 CB LEU A 126 3.005 -7.553 -9.710 1.00 0.00 C ATOM 970 CG LEU A 126 4.211 -6.802 -10.277 1.00 0.00 C ATOM 971 CD1 LEU A 126 3.863 -6.164 -11.613 1.00 0.00 C ATOM 972 CD2 LEU A 126 4.695 -5.749 -9.291 1.00 0.00 C ATOM 0 H LEU A 126 1.883 -10.159 -9.109 1.00 0.00 H new ATOM 0 HA LEU A 126 2.057 -8.388 -11.449 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.180 -6.848 -9.604 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.257 -7.902 -8.709 1.00 0.00 H new ATOM 0 HG LEU A 126 5.017 -7.518 -10.439 1.00 0.00 H new ATOM 0 HD11 LEU A 126 4.733 -5.634 -12.001 1.00 0.00 H new ATOM 0 HD12 LEU A 126 3.565 -6.939 -12.320 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.041 -5.461 -11.477 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.553 -5.225 -9.711 1.00 0.00 H new ATOM 0 HD22 LEU A 126 3.893 -5.036 -9.097 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.985 -6.231 -8.357 1.00 0.00 H new ATOM 984 N ARG A 127 4.248 -9.432 -12.079 1.00 0.00 N ATOM 985 CA ARG A 127 5.381 -10.222 -12.546 1.00 0.00 C ATOM 986 C ARG A 127 5.251 -11.676 -12.100 1.00 0.00 C ATOM 987 O ARG A 127 6.225 -12.292 -11.671 1.00 0.00 O ATOM 988 CB ARG A 127 6.692 -9.633 -12.023 1.00 0.00 C ATOM 989 CG ARG A 127 6.951 -8.211 -12.494 1.00 0.00 C ATOM 990 CD ARG A 127 7.665 -8.190 -13.836 1.00 0.00 C ATOM 991 NE ARG A 127 6.802 -8.646 -14.922 1.00 0.00 N ATOM 992 CZ ARG A 127 7.261 -9.116 -16.077 1.00 0.00 C ATOM 993 NH1 ARG A 127 8.567 -9.190 -16.295 1.00 0.00 N ATOM 994 NH2 ARG A 127 6.413 -9.512 -17.017 1.00 0.00 N ATOM 0 H ARG A 127 3.933 -8.717 -12.735 1.00 0.00 H new ATOM 0 HA ARG A 127 5.387 -10.193 -13.636 1.00 0.00 H new ATOM 0 HB2 ARG A 127 6.679 -9.649 -10.933 1.00 0.00 H new ATOM 0 HB3 ARG A 127 7.519 -10.268 -12.341 1.00 0.00 H new ATOM 0 HG2 ARG A 127 6.005 -7.676 -12.576 1.00 0.00 H new ATOM 0 HG3 ARG A 127 7.552 -7.685 -11.753 1.00 0.00 H new ATOM 0 HD2 ARG A 127 8.010 -7.178 -14.047 1.00 0.00 H new ATOM 0 HD3 ARG A 127 8.550 -8.824 -13.786 1.00 0.00 H new ATOM 0 HE ARG A 127 5.792 -8.601 -14.787 1.00 0.00 H new ATOM 0 HH11 ARG A 127 9.222 -8.886 -15.575 1.00 0.00 H new ATOM 0 HH12 ARG A 127 8.916 -9.551 -17.183 1.00 0.00 H new ATOM 0 HH21 ARG A 127 5.408 -9.456 -16.853 1.00 0.00 H new ATOM 0 HH22 ARG A 127 6.766 -9.873 -17.903 1.00 0.00 H new ATOM 1008 N GLU A 128 4.041 -12.216 -12.205 1.00 0.00 N ATOM 1009 CA GLU A 128 3.784 -13.596 -11.811 1.00 0.00 C ATOM 1010 C GLU A 128 3.996 -13.782 -10.311 1.00 0.00 C ATOM 1011 O GLU A 128 4.761 -14.647 -9.884 1.00 0.00 O ATOM 1012 CB GLU A 128 4.695 -14.549 -12.588 1.00 0.00 C ATOM 1013 CG GLU A 128 4.641 -14.351 -14.094 1.00 0.00 C ATOM 1014 CD GLU A 128 3.499 -15.110 -14.741 1.00 0.00 C ATOM 1015 OE1 GLU A 128 2.329 -14.752 -14.491 1.00 0.00 O ATOM 1016 OE2 GLU A 128 3.776 -16.063 -15.500 1.00 0.00 O ATOM 0 H GLU A 128 3.224 -11.719 -12.559 1.00 0.00 H new ATOM 0 HA GLU A 128 2.745 -13.826 -12.045 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.722 -14.414 -12.249 1.00 0.00 H new ATOM 0 HB3 GLU A 128 4.415 -15.576 -12.355 1.00 0.00 H new ATOM 0 HG2 GLU A 128 4.537 -13.288 -14.314 1.00 0.00 H new ATOM 0 HG3 GLU A 128 5.584 -14.676 -14.534 1.00 0.00 H new ATOM 1023 N ARG A 129 3.313 -12.964 -9.517 1.00 0.00 N ATOM 1024 CA ARG A 129 3.427 -13.036 -8.066 1.00 0.00 C ATOM 1025 C ARG A 129 2.173 -12.485 -7.394 1.00 0.00 C ATOM 1026 O ARG A 129 1.551 -11.549 -7.893 1.00 0.00 O ATOM 1027 CB ARG A 129 4.657 -12.260 -7.590 1.00 0.00 C ATOM 1028 CG ARG A 129 4.370 -10.801 -7.272 1.00 0.00 C ATOM 1029 CD ARG A 129 3.892 -10.628 -5.838 1.00 0.00 C ATOM 1030 NE ARG A 129 5.004 -10.579 -4.893 1.00 0.00 N ATOM 1031 CZ ARG A 129 5.458 -11.641 -4.236 1.00 0.00 C ATOM 1032 NH1 ARG A 129 4.898 -12.828 -4.422 1.00 0.00 N ATOM 1033 NH2 ARG A 129 6.474 -11.516 -3.392 1.00 0.00 N ATOM 0 H ARG A 129 2.675 -12.244 -9.855 1.00 0.00 H new ATOM 0 HA ARG A 129 3.537 -14.084 -7.787 1.00 0.00 H new ATOM 0 HB2 ARG A 129 5.060 -12.745 -6.701 1.00 0.00 H new ATOM 0 HB3 ARG A 129 5.428 -12.311 -8.358 1.00 0.00 H new ATOM 0 HG2 ARG A 129 5.271 -10.209 -7.430 1.00 0.00 H new ATOM 0 HG3 ARG A 129 3.613 -10.420 -7.958 1.00 0.00 H new ATOM 0 HD2 ARG A 129 3.308 -9.711 -5.759 1.00 0.00 H new ATOM 0 HD3 ARG A 129 3.229 -11.452 -5.575 1.00 0.00 H new ATOM 0 HE ARG A 129 5.457 -9.680 -4.728 1.00 0.00 H new ATOM 0 HH11 ARG A 129 4.117 -12.927 -5.071 1.00 0.00 H new ATOM 0 HH12 ARG A 129 5.248 -13.642 -3.917 1.00 0.00 H new ATOM 0 HH21 ARG A 129 6.907 -10.604 -3.247 1.00 0.00 H new ATOM 0 HH22 ARG A 129 6.822 -12.332 -2.888 1.00 0.00 H new ATOM 1047 N GLU A 130 1.809 -13.074 -6.259 1.00 0.00 N ATOM 1048 CA GLU A 130 0.628 -12.643 -5.520 1.00 0.00 C ATOM 1049 C GLU A 130 0.936 -11.409 -4.676 1.00 0.00 C ATOM 1050 O GLU A 130 1.855 -11.416 -3.856 1.00 0.00 O ATOM 1051 CB GLU A 130 0.119 -13.773 -4.623 1.00 0.00 C ATOM 1052 CG GLU A 130 -1.374 -13.708 -4.351 1.00 0.00 C ATOM 1053 CD GLU A 130 -1.950 -15.047 -3.934 1.00 0.00 C ATOM 1054 OE1 GLU A 130 -1.913 -15.990 -4.752 1.00 0.00 O ATOM 1055 OE2 GLU A 130 -2.438 -15.152 -2.789 1.00 0.00 O ATOM 0 H GLU A 130 2.314 -13.850 -5.832 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.147 -12.385 -6.242 1.00 0.00 H new ATOM 0 HB2 GLU A 130 0.353 -14.730 -5.090 1.00 0.00 H new ATOM 0 HB3 GLU A 130 0.654 -13.742 -3.674 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -1.565 -12.975 -3.568 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -1.888 -13.359 -5.247 1.00 0.00 H new ATOM 1062 N LEU A 131 0.160 -10.350 -4.882 1.00 0.00 N ATOM 1063 CA LEU A 131 0.349 -9.108 -4.141 1.00 0.00 C ATOM 1064 C LEU A 131 -0.696 -8.968 -3.038 1.00 0.00 C ATOM 1065 O LEU A 131 -1.891 -9.148 -3.275 1.00 0.00 O ATOM 1066 CB LEU A 131 0.270 -7.909 -5.089 1.00 0.00 C ATOM 1067 CG LEU A 131 1.374 -7.814 -6.143 1.00 0.00 C ATOM 1068 CD1 LEU A 131 0.987 -6.828 -7.233 1.00 0.00 C ATOM 1069 CD2 LEU A 131 2.693 -7.410 -5.499 1.00 0.00 C ATOM 0 H LEU A 131 -0.605 -10.327 -5.556 1.00 0.00 H new ATOM 0 HA LEU A 131 1.336 -9.135 -3.680 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -0.692 -7.938 -5.601 1.00 0.00 H new ATOM 0 HB3 LEU A 131 0.286 -6.997 -4.492 1.00 0.00 H new ATOM 0 HG LEU A 131 1.501 -8.796 -6.598 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.784 -6.773 -7.974 1.00 0.00 H new ATOM 0 HD12 LEU A 131 0.067 -7.160 -7.714 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.832 -5.843 -6.794 1.00 0.00 H new ATOM 0 HD21 LEU A 131 3.467 -7.347 -6.264 1.00 0.00 H new ATOM 0 HD22 LEU A 131 2.580 -6.439 -5.017 1.00 0.00 H new ATOM 0 HD23 LEU A 131 2.978 -8.154 -4.755 1.00 0.00 H new ATOM 1081 N SER A 132 -0.237 -8.643 -1.834 1.00 0.00 N ATOM 1082 CA SER A 132 -1.132 -8.480 -0.694 1.00 0.00 C ATOM 1083 C SER A 132 -1.275 -7.008 -0.322 1.00 0.00 C ATOM 1084 O SER A 132 -0.291 -6.335 -0.012 1.00 0.00 O ATOM 1085 CB SER A 132 -0.612 -9.273 0.507 1.00 0.00 C ATOM 1086 OG SER A 132 -1.117 -10.597 0.501 1.00 0.00 O ATOM 0 H SER A 132 0.749 -8.487 -1.622 1.00 0.00 H new ATOM 0 HA SER A 132 -2.113 -8.863 -0.976 1.00 0.00 H new ATOM 0 HB2 SER A 132 0.478 -9.296 0.487 1.00 0.00 H new ATOM 0 HB3 SER A 132 -0.904 -8.773 1.431 1.00 0.00 H new ATOM 0 HG SER A 132 -0.769 -11.083 1.277 1.00 0.00 H new ATOM 1092 N VAL A 133 -2.508 -6.512 -0.354 1.00 0.00 N ATOM 1093 CA VAL A 133 -2.782 -5.120 -0.020 1.00 0.00 C ATOM 1094 C VAL A 133 -3.745 -5.017 1.157 1.00 0.00 C ATOM 1095 O VAL A 133 -4.683 -5.805 1.274 1.00 0.00 O ATOM 1096 CB VAL A 133 -3.374 -4.360 -1.222 1.00 0.00 C ATOM 1097 CG1 VAL A 133 -3.323 -2.859 -0.982 1.00 0.00 C ATOM 1098 CG2 VAL A 133 -2.637 -4.730 -2.501 1.00 0.00 C ATOM 0 H VAL A 133 -3.333 -7.055 -0.608 1.00 0.00 H new ATOM 0 HA VAL A 133 -1.829 -4.667 0.253 1.00 0.00 H new ATOM 0 HB VAL A 133 -4.419 -4.650 -1.335 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -3.745 -2.339 -1.842 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -3.899 -2.613 -0.090 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -2.288 -2.548 -0.842 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -3.068 -4.184 -3.340 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -1.583 -4.470 -2.402 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -2.731 -5.801 -2.678 1.00 0.00 H new ATOM 1108 N GLN A 134 -3.507 -4.039 2.026 1.00 0.00 N ATOM 1109 CA GLN A 134 -4.354 -3.833 3.194 1.00 0.00 C ATOM 1110 C GLN A 134 -4.288 -2.385 3.666 1.00 0.00 C ATOM 1111 O GLN A 134 -3.360 -1.651 3.323 1.00 0.00 O ATOM 1112 CB GLN A 134 -3.934 -4.771 4.327 1.00 0.00 C ATOM 1113 CG GLN A 134 -2.649 -4.348 5.022 1.00 0.00 C ATOM 1114 CD GLN A 134 -2.511 -4.947 6.408 1.00 0.00 C ATOM 1115 OE1 GLN A 134 -1.748 -5.891 6.616 1.00 0.00 O ATOM 1116 NE2 GLN A 134 -3.250 -4.399 7.365 1.00 0.00 N ATOM 0 H GLN A 134 -2.735 -3.378 1.943 1.00 0.00 H new ATOM 0 HA GLN A 134 -5.382 -4.056 2.909 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -4.736 -4.820 5.063 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -3.807 -5.777 3.927 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -1.796 -4.648 4.414 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -2.621 -3.261 5.096 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -3.869 -3.618 7.147 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -3.199 -4.759 8.318 1.00 0.00 H new ATOM 1125 N LEU A 135 -5.277 -1.979 4.455 1.00 0.00 N ATOM 1126 CA LEU A 135 -5.331 -0.617 4.974 1.00 0.00 C ATOM 1127 C LEU A 135 -4.193 -0.363 5.957 1.00 0.00 C ATOM 1128 O LEU A 135 -3.827 -1.242 6.737 1.00 0.00 O ATOM 1129 CB LEU A 135 -6.676 -0.364 5.657 1.00 0.00 C ATOM 1130 CG LEU A 135 -7.876 -0.172 4.728 1.00 0.00 C ATOM 1131 CD1 LEU A 135 -9.178 -0.323 5.499 1.00 0.00 C ATOM 1132 CD2 LEU A 135 -7.812 1.187 4.048 1.00 0.00 C ATOM 0 H LEU A 135 -6.052 -2.573 4.749 1.00 0.00 H new ATOM 0 HA LEU A 135 -5.221 0.070 4.135 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -6.887 -1.202 6.321 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -6.581 0.523 6.283 1.00 0.00 H new ATOM 0 HG LEU A 135 -7.842 -0.943 3.958 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -10.020 -0.183 4.822 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -9.227 -1.319 5.938 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -9.221 0.425 6.291 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -8.674 1.306 3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -7.820 1.973 4.804 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -6.896 1.258 3.461 1.00 0.00 H new ATOM 1144 N GLN A 136 -3.639 0.845 5.915 1.00 0.00 N ATOM 1145 CA GLN A 136 -2.544 1.214 6.803 1.00 0.00 C ATOM 1146 C GLN A 136 -3.063 1.547 8.198 1.00 0.00 C ATOM 1147 O GLN A 136 -4.089 2.207 8.364 1.00 0.00 O ATOM 1148 CB GLN A 136 -1.777 2.408 6.233 1.00 0.00 C ATOM 1149 CG GLN A 136 -1.172 3.308 7.298 1.00 0.00 C ATOM 1150 CD GLN A 136 -0.035 4.158 6.767 1.00 0.00 C ATOM 1151 OE1 GLN A 136 0.895 3.651 6.139 1.00 0.00 O ATOM 1152 NE2 GLN A 136 -0.103 5.461 7.015 1.00 0.00 N ATOM 0 H GLN A 136 -3.931 1.584 5.275 1.00 0.00 H new ATOM 0 HA GLN A 136 -1.869 0.361 6.880 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -0.981 2.042 5.584 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -2.450 2.998 5.610 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -1.948 3.958 7.703 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -0.808 2.695 8.122 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -0.892 5.840 7.539 1.00 0.00 H new ATOM 0 HE22 GLN A 136 0.633 6.083 6.681 1.00 0.00 H new