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 HE2:sc= 0.493 K(o=1.5,f=-5.1!) USER MOD Set 1.2: A 95 CYS SG : rot 176:sc= 1.02 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0964 USER MOD Single : A 80 ASN : amide:sc= -0.451 K(o=-0.45,f=-2.9!) USER MOD Single : A 81 GLN : amide:sc=-0.00688 X(o=-0.0069,f=0) USER MOD Single : A 88 SER OG : rot -39: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 USER MOD Single : A 99 LYS NZ :NH3+ 156:sc= -0.218 (180deg=-0.866) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 122:sc= 0.0376 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.205 USER MOD Single : A 110 ASN : amide:sc= -1.61 K(o=-1.6,f=-2.8!) USER MOD Single : A 113 GLN : amide:sc= -3.18 X(o=-3.2,f=-3.7!) USER MOD Single : A 119 ASN : amide:sc=-0.000202 K(o=-0.0002,f=-0.75) USER MOD Single : A 120 THR OG1 : rot 76:sc= 0.167 USER MOD Single : A 122 HIS : no HD1:sc= -4.27! C(o=-4.3!,f=-4.2!) USER MOD Single : A 123 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 124 SER OG : rot -83:sc= 0.145 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 GLN : amide:sc= -1.9 K(o=-1.9,f=-3.2) USER MOD Single : A 136 GLN : amide:sc= -2.81 K(o=-2.8,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 68 -4.208 5.966 4.153 1.00 0.00 N ATOM 60 CA GLY A 68 -2.934 5.315 3.911 1.00 0.00 C ATOM 61 C GLY A 68 -3.092 3.860 3.515 1.00 0.00 C ATOM 62 O GLY A 68 -3.879 3.129 4.117 1.00 0.00 O ATOM 0 HA2 GLY A 68 -2.402 5.847 3.123 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.320 5.379 4.809 1.00 0.00 H new ATOM 66 N ILE A 69 -2.345 3.440 2.500 1.00 0.00 N ATOM 67 CA ILE A 69 -2.407 2.064 2.024 1.00 0.00 C ATOM 68 C ILE A 69 -1.062 1.364 2.189 1.00 0.00 C ATOM 69 O ILE A 69 -0.021 2.014 2.298 1.00 0.00 O ATOM 70 CB ILE A 69 -2.829 1.998 0.545 1.00 0.00 C ATOM 71 CG1 ILE A 69 -1.814 2.736 -0.331 1.00 0.00 C ATOM 72 CG2 ILE A 69 -4.220 2.588 0.364 1.00 0.00 C ATOM 73 CD1 ILE A 69 -0.691 1.853 -0.830 1.00 0.00 C ATOM 0 H ILE A 69 -1.689 4.033 1.991 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.156 1.554 2.630 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.856 0.953 0.237 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.332 3.170 -1.187 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.389 3.564 0.237 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.504 2.534 -0.687 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.935 2.024 0.963 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.218 3.629 0.686 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.010 2.442 -1.444 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.148 1.440 0.020 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.105 1.040 -1.426 1.00 0.00 H new ATOM 85 N LEU A 70 -1.091 0.036 2.206 1.00 0.00 N ATOM 86 CA LEU A 70 0.127 -0.753 2.356 1.00 0.00 C ATOM 87 C LEU A 70 0.180 -1.874 1.322 1.00 0.00 C ATOM 88 O LEU A 70 -0.798 -2.596 1.124 1.00 0.00 O ATOM 89 CB LEU A 70 0.207 -1.341 3.766 1.00 0.00 C ATOM 90 CG LEU A 70 1.118 -2.557 3.935 1.00 0.00 C ATOM 91 CD1 LEU A 70 2.566 -2.182 3.661 1.00 0.00 C ATOM 92 CD2 LEU A 70 0.972 -3.142 5.333 1.00 0.00 C ATOM 0 H LEU A 70 -1.944 -0.517 2.118 1.00 0.00 H new ATOM 0 HA LEU A 70 0.980 -0.094 2.195 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.548 -0.560 4.445 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.799 -1.619 4.080 1.00 0.00 H new ATOM 0 HG LEU A 70 0.818 -3.315 3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.199 -3.060 3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.659 -1.810 2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.879 -1.406 4.360 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.628 -4.007 5.436 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.245 -2.389 6.073 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.062 -3.449 5.493 1.00 0.00 H new ATOM 104 N ILE A 71 1.328 -2.013 0.667 1.00 0.00 N ATOM 105 CA ILE A 71 1.509 -3.047 -0.344 1.00 0.00 C ATOM 106 C ILE A 71 2.447 -4.143 0.152 1.00 0.00 C ATOM 107 O ILE A 71 3.397 -3.874 0.887 1.00 0.00 O ATOM 108 CB ILE A 71 2.068 -2.462 -1.654 1.00 0.00 C ATOM 109 CG1 ILE A 71 1.001 -1.624 -2.360 1.00 0.00 C ATOM 110 CG2 ILE A 71 2.561 -3.578 -2.564 1.00 0.00 C ATOM 111 CD1 ILE A 71 1.543 -0.796 -3.505 1.00 0.00 C ATOM 0 H ILE A 71 2.146 -1.423 0.818 1.00 0.00 H new ATOM 0 HA ILE A 71 0.525 -3.474 -0.538 1.00 0.00 H new ATOM 0 HB ILE A 71 2.912 -1.815 -1.415 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.222 -2.286 -2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.531 -0.961 -1.633 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.953 -3.149 -3.486 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.349 -4.137 -2.060 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.734 -4.248 -2.799 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.731 -0.228 -3.959 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.302 -0.109 -3.130 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.987 -1.454 -4.252 1.00 0.00 H new ATOM 123 N ARG A 72 2.174 -5.378 -0.256 1.00 0.00 N ATOM 124 CA ARG A 72 2.994 -6.514 0.146 1.00 0.00 C ATOM 125 C ARG A 72 3.534 -7.254 -1.074 1.00 0.00 C ATOM 126 O ARG A 72 2.829 -7.433 -2.067 1.00 0.00 O ATOM 127 CB ARG A 72 2.182 -7.472 1.019 1.00 0.00 C ATOM 128 CG ARG A 72 2.014 -6.996 2.452 1.00 0.00 C ATOM 129 CD ARG A 72 3.106 -7.549 3.355 1.00 0.00 C ATOM 130 NE ARG A 72 2.884 -8.954 3.685 1.00 0.00 N ATOM 131 CZ ARG A 72 2.011 -9.365 4.598 1.00 0.00 C ATOM 132 NH1 ARG A 72 1.282 -8.483 5.268 1.00 0.00 N ATOM 133 NH2 ARG A 72 1.865 -10.661 4.843 1.00 0.00 N ATOM 0 H ARG A 72 1.391 -5.617 -0.865 1.00 0.00 H new ATOM 0 HA ARG A 72 3.838 -6.135 0.722 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.197 -7.610 0.573 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.669 -8.447 1.024 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.035 -5.907 2.479 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.039 -7.306 2.827 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.073 -7.441 2.863 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.148 -6.963 4.273 1.00 0.00 H new ATOM 0 HE ARG A 72 3.429 -9.658 3.187 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.391 -7.486 5.083 1.00 0.00 H new ATOM 0 HH12 ARG A 72 0.612 -8.802 5.968 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.424 -11.343 4.330 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.194 -10.975 5.544 1.00 0.00 H new ATOM 147 N GLY A 73 4.790 -7.682 -0.993 1.00 0.00 N ATOM 148 CA GLY A 73 5.403 -8.397 -2.097 1.00 0.00 C ATOM 149 C GLY A 73 5.727 -7.489 -3.268 1.00 0.00 C ATOM 150 O GLY A 73 4.974 -7.426 -4.241 1.00 0.00 O ATOM 0 H GLY A 73 5.394 -7.546 -0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.318 -8.879 -1.751 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.732 -9.189 -2.430 1.00 0.00 H new ATOM 154 N LEU A 74 6.848 -6.783 -3.174 1.00 0.00 N ATOM 155 CA LEU A 74 7.269 -5.872 -4.233 1.00 0.00 C ATOM 156 C LEU A 74 8.351 -6.508 -5.100 1.00 0.00 C ATOM 157 O LEU A 74 9.139 -7.336 -4.644 1.00 0.00 O ATOM 158 CB LEU A 74 7.784 -4.563 -3.632 1.00 0.00 C ATOM 159 CG LEU A 74 6.748 -3.702 -2.909 1.00 0.00 C ATOM 160 CD1 LEU A 74 7.430 -2.594 -2.123 1.00 0.00 C ATOM 161 CD2 LEU A 74 5.752 -3.120 -3.902 1.00 0.00 C ATOM 0 H LEU A 74 7.482 -6.824 -2.376 1.00 0.00 H new ATOM 0 HA LEU A 74 6.404 -5.660 -4.862 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.584 -4.799 -2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.226 -3.969 -4.432 1.00 0.00 H new ATOM 0 HG LEU A 74 6.204 -4.334 -2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.677 -1.992 -1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.102 -3.032 -1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.001 -1.963 -2.804 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.022 -2.510 -3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.281 -2.502 -4.628 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.239 -3.930 -4.420 1.00 0.00 H new ATOM 173 N PRO A 75 8.393 -6.110 -6.381 1.00 0.00 N ATOM 174 CA PRO A 75 9.376 -6.627 -7.338 1.00 0.00 C ATOM 175 C PRO A 75 10.789 -6.139 -7.037 1.00 0.00 C ATOM 176 O PRO A 75 10.977 -5.104 -6.399 1.00 0.00 O ATOM 177 CB PRO A 75 8.892 -6.070 -8.679 1.00 0.00 C ATOM 178 CG PRO A 75 8.123 -4.844 -8.325 1.00 0.00 C ATOM 179 CD PRO A 75 7.485 -5.126 -6.992 1.00 0.00 C ATOM 0 HA PRO A 75 9.439 -7.715 -7.311 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.730 -5.836 -9.336 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.267 -6.791 -9.205 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.779 -3.975 -8.268 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.368 -4.625 -9.080 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.404 -4.223 -6.386 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.477 -5.525 -7.105 1.00 0.00 H new ATOM 187 N GLY A 76 11.782 -6.891 -7.503 1.00 0.00 N ATOM 188 CA GLY A 76 13.166 -6.518 -7.274 1.00 0.00 C ATOM 189 C GLY A 76 13.508 -5.167 -7.869 1.00 0.00 C ATOM 190 O GLY A 76 14.461 -4.516 -7.441 1.00 0.00 O ATOM 0 H GLY A 76 11.653 -7.752 -8.035 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.361 -6.499 -6.202 1.00 0.00 H new ATOM 0 HA3 GLY A 76 13.820 -7.277 -7.704 1.00 0.00 H new ATOM 194 N ASP A 77 12.731 -4.745 -8.861 1.00 0.00 N ATOM 195 CA ASP A 77 12.957 -3.463 -9.517 1.00 0.00 C ATOM 196 C ASP A 77 11.910 -2.440 -9.087 1.00 0.00 C ATOM 197 O ASP A 77 11.664 -1.456 -9.785 1.00 0.00 O ATOM 198 CB ASP A 77 12.929 -3.631 -11.037 1.00 0.00 C ATOM 199 CG ASP A 77 14.162 -4.339 -11.564 1.00 0.00 C ATOM 200 OD1 ASP A 77 14.670 -5.243 -10.868 1.00 0.00 O ATOM 201 OD2 ASP A 77 14.621 -3.988 -12.671 1.00 0.00 O ATOM 0 H ASP A 77 11.939 -5.273 -9.228 1.00 0.00 H new ATOM 0 HA ASP A 77 13.940 -3.099 -9.218 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.041 -4.195 -11.321 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.848 -2.651 -11.507 1.00 0.00 H new ATOM 206 N VAL A 78 11.295 -2.680 -7.933 1.00 0.00 N ATOM 207 CA VAL A 78 10.274 -1.780 -7.410 1.00 0.00 C ATOM 208 C VAL A 78 10.868 -0.422 -7.054 1.00 0.00 C ATOM 209 O VAL A 78 11.642 -0.300 -6.103 1.00 0.00 O ATOM 210 CB VAL A 78 9.590 -2.372 -6.163 1.00 0.00 C ATOM 211 CG1 VAL A 78 10.590 -2.524 -5.027 1.00 0.00 C ATOM 212 CG2 VAL A 78 8.415 -1.504 -5.738 1.00 0.00 C ATOM 0 H VAL A 78 11.486 -3.490 -7.343 1.00 0.00 H new ATOM 0 HA VAL A 78 9.531 -1.653 -8.197 1.00 0.00 H new ATOM 0 HB VAL A 78 9.209 -3.362 -6.414 1.00 0.00 H new ATOM 0 HG11 VAL A 78 10.089 -2.944 -4.155 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.395 -3.190 -5.338 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.004 -1.548 -4.773 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.943 -1.937 -4.856 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.770 -0.500 -5.504 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.689 -1.452 -6.549 1.00 0.00 H new ATOM 222 N THR A 79 10.502 0.598 -7.823 1.00 0.00 N ATOM 223 CA THR A 79 10.999 1.948 -7.589 1.00 0.00 C ATOM 224 C THR A 79 9.854 2.915 -7.308 1.00 0.00 C ATOM 225 O THR A 79 8.689 2.597 -7.542 1.00 0.00 O ATOM 226 CB THR A 79 11.809 2.465 -8.794 1.00 0.00 C ATOM 227 OG1 THR A 79 12.489 3.676 -8.444 1.00 0.00 O ATOM 228 CG2 THR A 79 10.901 2.714 -9.989 1.00 0.00 C ATOM 0 H THR A 79 9.863 0.515 -8.614 1.00 0.00 H new ATOM 0 HA THR A 79 11.651 1.898 -6.717 1.00 0.00 H new ATOM 0 HB THR A 79 12.540 1.704 -9.066 1.00 0.00 H new ATOM 0 HG1 THR A 79 13.003 3.997 -9.214 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.495 3.078 -10.827 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.407 1.784 -10.271 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.149 3.458 -9.726 1.00 0.00 H new ATOM 236 N ASN A 80 10.194 4.098 -6.806 1.00 0.00 N ATOM 237 CA ASN A 80 9.194 5.112 -6.494 1.00 0.00 C ATOM 238 C ASN A 80 8.312 5.397 -7.705 1.00 0.00 C ATOM 239 O ASN A 80 7.129 5.705 -7.565 1.00 0.00 O ATOM 240 CB ASN A 80 9.873 6.401 -6.028 1.00 0.00 C ATOM 241 CG ASN A 80 11.003 6.139 -5.051 1.00 0.00 C ATOM 242 OD1 ASN A 80 11.122 5.044 -4.502 1.00 0.00 O ATOM 243 ND2 ASN A 80 11.839 7.147 -4.830 1.00 0.00 N ATOM 0 H ASN A 80 11.154 4.378 -6.607 1.00 0.00 H new ATOM 0 HA ASN A 80 8.564 4.730 -5.690 1.00 0.00 H new ATOM 0 HB2 ASN A 80 10.262 6.937 -6.894 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.133 7.049 -5.558 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.618 7.030 -4.183 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.702 8.038 -5.308 1.00 0.00 H new ATOM 250 N GLN A 81 8.897 5.292 -8.894 1.00 0.00 N ATOM 251 CA GLN A 81 8.164 5.539 -10.130 1.00 0.00 C ATOM 252 C GLN A 81 7.035 4.529 -10.305 1.00 0.00 C ATOM 253 O GLN A 81 5.948 4.873 -10.768 1.00 0.00 O ATOM 254 CB GLN A 81 9.110 5.476 -11.330 1.00 0.00 C ATOM 255 CG GLN A 81 8.548 6.128 -12.583 1.00 0.00 C ATOM 256 CD GLN A 81 8.662 7.640 -12.556 1.00 0.00 C ATOM 257 OE1 GLN A 81 9.688 8.203 -12.941 1.00 0.00 O ATOM 258 NE2 GLN A 81 7.608 8.306 -12.101 1.00 0.00 N ATOM 0 H GLN A 81 9.876 5.038 -9.027 1.00 0.00 H new ATOM 0 HA GLN A 81 7.729 6.537 -10.071 1.00 0.00 H new ATOM 0 HB2 GLN A 81 10.049 5.963 -11.067 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.341 4.433 -11.546 1.00 0.00 H new ATOM 0 HG2 GLN A 81 9.075 5.743 -13.456 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.500 5.848 -12.695 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.779 7.799 -11.792 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.627 9.325 -12.060 1.00 0.00 H new ATOM 267 N GLU A 82 7.300 3.281 -9.930 1.00 0.00 N ATOM 268 CA GLU A 82 6.305 2.222 -10.047 1.00 0.00 C ATOM 269 C GLU A 82 5.107 2.498 -9.143 1.00 0.00 C ATOM 270 O GLU A 82 3.957 2.343 -9.554 1.00 0.00 O ATOM 271 CB GLU A 82 6.925 0.869 -9.691 1.00 0.00 C ATOM 272 CG GLU A 82 6.192 -0.315 -10.298 1.00 0.00 C ATOM 273 CD GLU A 82 6.170 -0.273 -11.814 1.00 0.00 C ATOM 274 OE1 GLU A 82 7.166 0.188 -12.409 1.00 0.00 O ATOM 275 OE2 GLU A 82 5.157 -0.701 -12.404 1.00 0.00 O ATOM 0 H GLU A 82 8.194 2.979 -9.543 1.00 0.00 H new ATOM 0 HA GLU A 82 5.960 2.196 -11.080 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.962 0.854 -10.027 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.939 0.760 -8.607 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.669 -1.239 -9.971 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.168 -0.334 -9.924 1.00 0.00 H new ATOM 282 N VAL A 83 5.385 2.909 -7.910 1.00 0.00 N ATOM 283 CA VAL A 83 4.332 3.208 -6.948 1.00 0.00 C ATOM 284 C VAL A 83 3.577 4.475 -7.335 1.00 0.00 C ATOM 285 O VAL A 83 2.357 4.552 -7.189 1.00 0.00 O ATOM 286 CB VAL A 83 4.901 3.377 -5.527 1.00 0.00 C ATOM 287 CG1 VAL A 83 3.799 3.763 -4.552 1.00 0.00 C ATOM 288 CG2 VAL A 83 5.598 2.101 -5.077 1.00 0.00 C ATOM 0 H VAL A 83 6.331 3.042 -7.554 1.00 0.00 H new ATOM 0 HA VAL A 83 3.645 2.362 -6.958 1.00 0.00 H new ATOM 0 HB VAL A 83 5.637 4.181 -5.543 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.221 3.878 -3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.349 4.705 -4.866 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.037 2.984 -4.537 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.994 2.238 -4.071 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.884 1.277 -5.077 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.416 1.872 -5.761 1.00 0.00 H new ATOM 298 N HIS A 84 4.311 5.466 -7.830 1.00 0.00 N ATOM 299 CA HIS A 84 3.711 6.731 -8.240 1.00 0.00 C ATOM 300 C HIS A 84 2.738 6.520 -9.397 1.00 0.00 C ATOM 301 O HIS A 84 1.613 7.019 -9.373 1.00 0.00 O ATOM 302 CB HIS A 84 4.797 7.727 -8.647 1.00 0.00 C ATOM 303 CG HIS A 84 5.283 8.578 -7.514 1.00 0.00 C ATOM 304 ND1 HIS A 84 4.563 9.640 -7.008 1.00 0.00 N ATOM 305 CD2 HIS A 84 6.423 8.518 -6.787 1.00 0.00 C ATOM 306 CE1 HIS A 84 5.241 10.198 -6.021 1.00 0.00 C ATOM 307 NE2 HIS A 84 6.373 9.535 -5.866 1.00 0.00 N ATOM 0 H HIS A 84 5.322 5.418 -7.957 1.00 0.00 H new ATOM 0 HA HIS A 84 3.158 7.135 -7.392 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.641 7.180 -9.068 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.410 8.372 -9.435 1.00 0.00 H new ATOM 0 HD1 HIS A 84 3.650 9.947 -7.343 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.223 7.803 -6.909 1.00 0.00 H new ATOM 0 HE1 HIS A 84 4.924 11.051 -5.440 1.00 0.00 H new ATOM 316 N ASP A 85 3.180 5.781 -10.408 1.00 0.00 N ATOM 317 CA ASP A 85 2.349 5.505 -11.574 1.00 0.00 C ATOM 318 C ASP A 85 1.113 4.701 -11.182 1.00 0.00 C ATOM 319 O ASP A 85 0.026 4.910 -11.724 1.00 0.00 O ATOM 320 CB ASP A 85 3.152 4.746 -12.631 1.00 0.00 C ATOM 321 CG ASP A 85 2.584 4.920 -14.026 1.00 0.00 C ATOM 322 OD1 ASP A 85 2.429 6.080 -14.463 1.00 0.00 O ATOM 323 OD2 ASP A 85 2.295 3.897 -14.681 1.00 0.00 O ATOM 0 H ASP A 85 4.109 5.362 -10.444 1.00 0.00 H new ATOM 0 HA ASP A 85 2.023 6.458 -11.991 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.185 5.093 -12.617 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.169 3.686 -12.378 1.00 0.00 H new ATOM 328 N LEU A 86 1.286 3.782 -10.239 1.00 0.00 N ATOM 329 CA LEU A 86 0.185 2.946 -9.775 1.00 0.00 C ATOM 330 C LEU A 86 -0.933 3.797 -9.180 1.00 0.00 C ATOM 331 O LEU A 86 -2.114 3.546 -9.421 1.00 0.00 O ATOM 332 CB LEU A 86 0.684 1.941 -8.735 1.00 0.00 C ATOM 333 CG LEU A 86 -0.375 1.019 -8.130 1.00 0.00 C ATOM 334 CD1 LEU A 86 -1.018 0.163 -9.211 1.00 0.00 C ATOM 335 CD2 LEU A 86 0.238 0.142 -7.047 1.00 0.00 C ATOM 0 H LEU A 86 2.178 3.597 -9.781 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.213 2.405 -10.633 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.454 1.323 -9.197 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.161 2.493 -7.925 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.150 1.636 -7.675 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.769 -0.487 -8.762 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.492 0.807 -9.952 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.254 -0.446 -9.695 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.530 -0.508 -6.627 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.033 -0.467 -7.478 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.651 0.772 -6.259 1.00 0.00 H new ATOM 347 N LEU A 87 -0.551 4.806 -8.404 1.00 0.00 N ATOM 348 CA LEU A 87 -1.521 5.697 -7.777 1.00 0.00 C ATOM 349 C LEU A 87 -1.433 7.100 -8.367 1.00 0.00 C ATOM 350 O LEU A 87 -1.596 8.094 -7.659 1.00 0.00 O ATOM 351 CB LEU A 87 -1.289 5.752 -6.266 1.00 0.00 C ATOM 352 CG LEU A 87 -1.894 4.607 -5.452 1.00 0.00 C ATOM 353 CD1 LEU A 87 -1.225 4.509 -4.090 1.00 0.00 C ATOM 354 CD2 LEU A 87 -3.396 4.798 -5.298 1.00 0.00 C ATOM 0 H LEU A 87 0.422 5.027 -8.194 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.518 5.303 -7.972 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.214 5.772 -6.084 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.694 6.692 -5.890 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.719 3.674 -5.988 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.668 3.689 -3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.159 4.325 -4.221 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.368 5.443 -3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.810 3.974 -4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.592 5.739 -4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.863 4.817 -6.283 1.00 0.00 H new ATOM 366 N SER A 88 -1.175 7.174 -9.669 1.00 0.00 N ATOM 367 CA SER A 88 -1.064 8.456 -10.355 1.00 0.00 C ATOM 368 C SER A 88 -2.440 8.983 -10.748 1.00 0.00 C ATOM 369 O SER A 88 -2.561 9.855 -11.609 1.00 0.00 O ATOM 370 CB SER A 88 -0.183 8.318 -11.599 1.00 0.00 C ATOM 371 OG SER A 88 -0.024 9.566 -12.252 1.00 0.00 O ATOM 0 H SER A 88 -1.039 6.361 -10.270 1.00 0.00 H new ATOM 0 HA SER A 88 -0.604 9.168 -9.670 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.793 7.925 -11.315 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.628 7.599 -12.286 1.00 0.00 H new ATOM 0 HG SER A 88 -0.872 10.057 -12.230 1.00 0.00 H new ATOM 377 N ASP A 89 -3.476 8.447 -10.112 1.00 0.00 N ATOM 378 CA ASP A 89 -4.845 8.863 -10.394 1.00 0.00 C ATOM 379 C ASP A 89 -5.406 9.698 -9.247 1.00 0.00 C ATOM 380 O ASP A 89 -6.297 10.524 -9.445 1.00 0.00 O ATOM 381 CB ASP A 89 -5.733 7.641 -10.633 1.00 0.00 C ATOM 382 CG ASP A 89 -5.580 7.079 -12.033 1.00 0.00 C ATOM 383 OD1 ASP A 89 -6.120 7.690 -12.979 1.00 0.00 O ATOM 384 OD2 ASP A 89 -4.921 6.029 -12.183 1.00 0.00 O ATOM 0 H ASP A 89 -3.394 7.724 -9.398 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.834 9.476 -11.295 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -5.486 6.868 -9.905 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.775 7.914 -10.466 1.00 0.00 H new ATOM 389 N TYR A 90 -4.879 9.476 -8.048 1.00 0.00 N ATOM 390 CA TYR A 90 -5.329 10.205 -6.868 1.00 0.00 C ATOM 391 C TYR A 90 -4.270 11.201 -6.406 1.00 0.00 C ATOM 392 O TYR A 90 -3.205 11.315 -7.011 1.00 0.00 O ATOM 393 CB TYR A 90 -5.659 9.231 -5.736 1.00 0.00 C ATOM 394 CG TYR A 90 -6.435 8.016 -6.189 1.00 0.00 C ATOM 395 CD1 TYR A 90 -5.794 6.946 -6.802 1.00 0.00 C ATOM 396 CD2 TYR A 90 -7.810 7.936 -6.004 1.00 0.00 C ATOM 397 CE1 TYR A 90 -6.499 5.834 -7.218 1.00 0.00 C ATOM 398 CE2 TYR A 90 -8.523 6.827 -6.416 1.00 0.00 C ATOM 399 CZ TYR A 90 -7.864 5.779 -7.023 1.00 0.00 C ATOM 400 OH TYR A 90 -8.570 4.672 -7.435 1.00 0.00 O ATOM 0 H TYR A 90 -4.140 8.797 -7.868 1.00 0.00 H new ATOM 0 HA TYR A 90 -6.229 10.758 -7.135 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -4.731 8.905 -5.267 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -6.234 9.755 -4.973 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -4.726 6.985 -6.956 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.330 8.755 -5.530 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.985 5.012 -7.693 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.591 6.781 -6.263 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.519 4.792 -7.223 1.00 0.00 H new ATOM 410 N GLU A 91 -4.572 11.919 -5.328 1.00 0.00 N ATOM 411 CA GLU A 91 -3.646 12.905 -4.784 1.00 0.00 C ATOM 412 C GLU A 91 -2.623 12.243 -3.866 1.00 0.00 C ATOM 413 O GLU A 91 -2.949 11.829 -2.752 1.00 0.00 O ATOM 414 CB GLU A 91 -4.411 13.987 -4.018 1.00 0.00 C ATOM 415 CG GLU A 91 -4.852 15.152 -4.888 1.00 0.00 C ATOM 416 CD GLU A 91 -4.998 16.442 -4.106 1.00 0.00 C ATOM 417 OE1 GLU A 91 -4.274 16.614 -3.103 1.00 0.00 O ATOM 418 OE2 GLU A 91 -5.838 17.280 -4.496 1.00 0.00 O ATOM 0 H GLU A 91 -5.450 11.836 -4.815 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.115 13.366 -5.617 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.289 13.539 -3.553 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.781 14.364 -3.212 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -4.127 15.297 -5.689 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.804 14.908 -5.360 1.00 0.00 H new ATOM 425 N LEU A 92 -1.386 12.145 -4.340 1.00 0.00 N ATOM 426 CA LEU A 92 -0.315 11.533 -3.563 1.00 0.00 C ATOM 427 C LEU A 92 0.369 12.564 -2.671 1.00 0.00 C ATOM 428 O LEU A 92 1.287 13.263 -3.101 1.00 0.00 O ATOM 429 CB LEU A 92 0.712 10.886 -4.494 1.00 0.00 C ATOM 430 CG LEU A 92 0.315 9.540 -5.099 1.00 0.00 C ATOM 431 CD1 LEU A 92 1.284 9.144 -6.203 1.00 0.00 C ATOM 432 CD2 LEU A 92 0.263 8.465 -4.023 1.00 0.00 C ATOM 0 H LEU A 92 -1.100 12.482 -5.259 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.755 10.765 -2.927 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.922 11.580 -5.308 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.641 10.753 -3.940 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.680 9.639 -5.534 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.985 8.183 -6.622 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.272 9.901 -6.987 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.290 9.064 -5.792 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.021 7.514 -4.473 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.244 8.368 -3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.471 8.743 -3.267 1.00 0.00 H new ATOM 444 N LYS A 93 -0.083 12.653 -1.424 1.00 0.00 N ATOM 445 CA LYS A 93 0.486 13.596 -0.469 1.00 0.00 C ATOM 446 C LYS A 93 1.813 13.082 0.078 1.00 0.00 C ATOM 447 O LYS A 93 2.735 13.858 0.331 1.00 0.00 O ATOM 448 CB LYS A 93 -0.492 13.841 0.682 1.00 0.00 C ATOM 449 CG LYS A 93 -1.757 14.569 0.261 1.00 0.00 C ATOM 450 CD LYS A 93 -1.502 16.051 0.046 1.00 0.00 C ATOM 451 CE LYS A 93 -2.595 16.688 -0.799 1.00 0.00 C ATOM 452 NZ LYS A 93 -2.624 18.169 -0.644 1.00 0.00 N ATOM 0 H LYS A 93 -0.842 12.083 -1.052 1.00 0.00 H new ATOM 0 HA LYS A 93 0.668 14.536 -0.989 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.765 12.884 1.126 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.010 14.420 1.457 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.143 14.128 -0.658 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.524 14.438 1.024 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.446 16.555 1.011 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -0.537 16.188 -0.442 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -2.437 16.436 -1.848 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.562 16.274 -0.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.382 18.565 -1.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.800 18.410 0.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -1.710 18.567 -0.940 1.00 0.00 H new ATOM 466 N TYR A 94 1.904 11.769 0.259 1.00 0.00 N ATOM 467 CA TYR A 94 3.119 11.151 0.777 1.00 0.00 C ATOM 468 C TYR A 94 3.385 9.814 0.092 1.00 0.00 C ATOM 469 O TYR A 94 2.491 8.976 -0.030 1.00 0.00 O ATOM 470 CB TYR A 94 3.008 10.948 2.289 1.00 0.00 C ATOM 471 CG TYR A 94 4.190 10.223 2.892 1.00 0.00 C ATOM 472 CD1 TYR A 94 5.491 10.565 2.541 1.00 0.00 C ATOM 473 CD2 TYR A 94 4.007 9.197 3.810 1.00 0.00 C ATOM 474 CE1 TYR A 94 6.574 9.905 3.089 1.00 0.00 C ATOM 475 CE2 TYR A 94 5.085 8.533 4.363 1.00 0.00 C ATOM 476 CZ TYR A 94 6.366 8.891 3.999 1.00 0.00 C ATOM 477 OH TYR A 94 7.442 8.231 4.547 1.00 0.00 O ATOM 0 H TYR A 94 1.151 11.112 0.055 1.00 0.00 H new ATOM 0 HA TYR A 94 3.954 11.819 0.567 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.905 11.920 2.771 1.00 0.00 H new ATOM 0 HB3 TYR A 94 2.099 10.387 2.506 1.00 0.00 H new ATOM 0 HD1 TYR A 94 5.658 11.359 1.829 1.00 0.00 H new ATOM 0 HD2 TYR A 94 3.005 8.913 4.096 1.00 0.00 H new ATOM 0 HE1 TYR A 94 7.579 10.182 2.806 1.00 0.00 H new ATOM 0 HE2 TYR A 94 4.925 7.738 5.076 1.00 0.00 H new ATOM 0 HH TYR A 94 7.122 7.545 5.170 1.00 0.00 H new ATOM 487 N CYS A 95 4.622 9.622 -0.354 1.00 0.00 N ATOM 488 CA CYS A 95 5.008 8.387 -1.028 1.00 0.00 C ATOM 489 C CYS A 95 6.225 7.759 -0.357 1.00 0.00 C ATOM 490 O CYS A 95 7.230 8.430 -0.116 1.00 0.00 O ATOM 491 CB CYS A 95 5.308 8.659 -2.503 1.00 0.00 C ATOM 492 SG CYS A 95 6.746 9.719 -2.781 1.00 0.00 S ATOM 0 H CYS A 95 5.374 10.305 -0.261 1.00 0.00 H new ATOM 0 HA CYS A 95 4.175 7.688 -0.957 1.00 0.00 H new ATOM 0 HB2 CYS A 95 5.467 7.708 -3.012 1.00 0.00 H new ATOM 0 HB3 CYS A 95 4.434 9.123 -2.961 1.00 0.00 H new ATOM 0 HG CYS A 95 6.975 9.814 -4.057 1.00 0.00 H new ATOM 498 N PHE A 96 6.128 6.469 -0.055 1.00 0.00 N ATOM 499 CA PHE A 96 7.220 5.750 0.591 1.00 0.00 C ATOM 500 C PHE A 96 7.388 4.358 -0.011 1.00 0.00 C ATOM 501 O PHE A 96 6.414 3.628 -0.195 1.00 0.00 O ATOM 502 CB PHE A 96 6.967 5.640 2.096 1.00 0.00 C ATOM 503 CG PHE A 96 8.093 4.991 2.848 1.00 0.00 C ATOM 504 CD1 PHE A 96 9.274 5.678 3.081 1.00 0.00 C ATOM 505 CD2 PHE A 96 7.971 3.696 3.324 1.00 0.00 C ATOM 506 CE1 PHE A 96 10.313 5.082 3.772 1.00 0.00 C ATOM 507 CE2 PHE A 96 9.006 3.095 4.016 1.00 0.00 C ATOM 508 CZ PHE A 96 10.178 3.790 4.241 1.00 0.00 C ATOM 0 H PHE A 96 5.304 5.899 -0.247 1.00 0.00 H new ATOM 0 HA PHE A 96 8.139 6.311 0.424 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.797 6.637 2.502 1.00 0.00 H new ATOM 0 HB3 PHE A 96 6.053 5.069 2.262 1.00 0.00 H new ATOM 0 HD1 PHE A 96 9.384 6.690 2.719 1.00 0.00 H new ATOM 0 HD2 PHE A 96 7.056 3.149 3.152 1.00 0.00 H new ATOM 0 HE1 PHE A 96 11.230 5.627 3.945 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.898 2.084 4.380 1.00 0.00 H new ATOM 0 HZ PHE A 96 10.988 3.324 4.783 1.00 0.00 H new ATOM 518 N VAL A 97 8.630 3.998 -0.317 1.00 0.00 N ATOM 519 CA VAL A 97 8.926 2.694 -0.898 1.00 0.00 C ATOM 520 C VAL A 97 9.995 1.963 -0.092 1.00 0.00 C ATOM 521 O VAL A 97 11.077 2.497 0.151 1.00 0.00 O ATOM 522 CB VAL A 97 9.399 2.824 -2.358 1.00 0.00 C ATOM 523 CG1 VAL A 97 9.824 1.470 -2.905 1.00 0.00 C ATOM 524 CG2 VAL A 97 8.305 3.437 -3.219 1.00 0.00 C ATOM 0 H VAL A 97 9.447 4.591 -0.172 1.00 0.00 H new ATOM 0 HA VAL A 97 8.000 2.119 -0.874 1.00 0.00 H new ATOM 0 HB VAL A 97 10.264 3.486 -2.384 1.00 0.00 H new ATOM 0 HG11 VAL A 97 10.155 1.582 -3.937 1.00 0.00 H new ATOM 0 HG12 VAL A 97 10.642 1.075 -2.303 1.00 0.00 H new ATOM 0 HG13 VAL A 97 8.980 0.781 -2.867 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.656 3.522 -4.247 1.00 0.00 H new ATOM 0 HG22 VAL A 97 7.420 2.802 -3.189 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.054 4.427 -2.838 1.00 0.00 H new ATOM 534 N ASP A 98 9.684 0.739 0.319 1.00 0.00 N ATOM 535 CA ASP A 98 10.618 -0.067 1.096 1.00 0.00 C ATOM 536 C ASP A 98 11.011 -1.329 0.334 1.00 0.00 C ATOM 537 O ASP A 98 10.204 -2.244 0.167 1.00 0.00 O ATOM 538 CB ASP A 98 10.001 -0.442 2.445 1.00 0.00 C ATOM 539 CG ASP A 98 11.013 -1.056 3.393 1.00 0.00 C ATOM 540 OD1 ASP A 98 11.800 -1.915 2.945 1.00 0.00 O ATOM 541 OD2 ASP A 98 11.016 -0.678 4.584 1.00 0.00 O ATOM 0 H ASP A 98 8.792 0.283 0.127 1.00 0.00 H new ATOM 0 HA ASP A 98 11.516 0.526 1.268 1.00 0.00 H new ATOM 0 HB2 ASP A 98 9.570 0.448 2.904 1.00 0.00 H new ATOM 0 HB3 ASP A 98 9.184 -1.145 2.285 1.00 0.00 H new ATOM 546 N LYS A 99 12.257 -1.372 -0.126 1.00 0.00 N ATOM 547 CA LYS A 99 12.759 -2.521 -0.870 1.00 0.00 C ATOM 548 C LYS A 99 13.232 -3.618 0.077 1.00 0.00 C ATOM 549 O LYS A 99 13.172 -4.804 -0.250 1.00 0.00 O ATOM 550 CB LYS A 99 13.905 -2.097 -1.791 1.00 0.00 C ATOM 551 CG LYS A 99 15.152 -1.654 -1.045 1.00 0.00 C ATOM 552 CD LYS A 99 16.411 -1.923 -1.852 1.00 0.00 C ATOM 553 CE LYS A 99 16.765 -0.742 -2.743 1.00 0.00 C ATOM 554 NZ LYS A 99 17.023 0.492 -1.951 1.00 0.00 N ATOM 0 H LYS A 99 12.938 -0.624 0.004 1.00 0.00 H new ATOM 0 HA LYS A 99 11.943 -2.916 -1.475 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.160 -2.930 -2.447 1.00 0.00 H new ATOM 0 HB3 LYS A 99 13.565 -1.282 -2.429 1.00 0.00 H new ATOM 0 HG2 LYS A 99 15.084 -0.590 -0.820 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.212 -2.178 -0.091 1.00 0.00 H new ATOM 0 HD2 LYS A 99 17.240 -2.131 -1.176 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.268 -2.813 -2.465 1.00 0.00 H new ATOM 0 HE2 LYS A 99 17.648 -0.985 -3.335 1.00 0.00 H new ATOM 0 HE3 LYS A 99 15.951 -0.560 -3.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 17.631 1.134 -2.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 16.121 0.965 -1.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 17.497 0.240 -1.060 1.00 0.00 H new ATOM 568 N TYR A 100 13.702 -3.216 1.253 1.00 0.00 N ATOM 569 CA TYR A 100 14.187 -4.165 2.248 1.00 0.00 C ATOM 570 C TYR A 100 13.083 -5.136 2.657 1.00 0.00 C ATOM 571 O TYR A 100 13.178 -6.340 2.416 1.00 0.00 O ATOM 572 CB TYR A 100 14.711 -3.423 3.479 1.00 0.00 C ATOM 573 CG TYR A 100 15.546 -2.208 3.143 1.00 0.00 C ATOM 574 CD1 TYR A 100 16.533 -2.268 2.166 1.00 0.00 C ATOM 575 CD2 TYR A 100 15.350 -1.002 3.803 1.00 0.00 C ATOM 576 CE1 TYR A 100 17.299 -1.161 1.856 1.00 0.00 C ATOM 577 CE2 TYR A 100 16.110 0.111 3.499 1.00 0.00 C ATOM 578 CZ TYR A 100 17.084 0.026 2.525 1.00 0.00 C ATOM 579 OH TYR A 100 17.844 1.132 2.220 1.00 0.00 O ATOM 0 H TYR A 100 13.757 -2.239 1.540 1.00 0.00 H new ATOM 0 HA TYR A 100 15.002 -4.736 1.802 1.00 0.00 H new ATOM 0 HB2 TYR A 100 13.866 -3.114 4.094 1.00 0.00 H new ATOM 0 HB3 TYR A 100 15.308 -4.109 4.080 1.00 0.00 H new ATOM 0 HD1 TYR A 100 16.704 -3.196 1.640 1.00 0.00 H new ATOM 0 HD2 TYR A 100 14.590 -0.933 4.567 1.00 0.00 H new ATOM 0 HE1 TYR A 100 18.062 -1.225 1.094 1.00 0.00 H new ATOM 0 HE2 TYR A 100 15.943 1.042 4.020 1.00 0.00 H new ATOM 0 HH TYR A 100 17.565 1.886 2.781 1.00 0.00 H new ATOM 589 N LYS A 101 12.037 -4.604 3.279 1.00 0.00 N ATOM 590 CA LYS A 101 10.913 -5.420 3.721 1.00 0.00 C ATOM 591 C LYS A 101 10.109 -5.932 2.530 1.00 0.00 C ATOM 592 O LYS A 101 9.509 -7.004 2.588 1.00 0.00 O ATOM 593 CB LYS A 101 10.005 -4.614 4.653 1.00 0.00 C ATOM 594 CG LYS A 101 10.728 -4.044 5.862 1.00 0.00 C ATOM 595 CD LYS A 101 10.867 -5.077 6.967 1.00 0.00 C ATOM 596 CE LYS A 101 11.826 -4.608 8.051 1.00 0.00 C ATOM 597 NZ LYS A 101 12.436 -5.751 8.784 1.00 0.00 N ATOM 0 H LYS A 101 11.944 -3.610 3.489 1.00 0.00 H new ATOM 0 HA LYS A 101 11.312 -6.277 4.263 1.00 0.00 H new ATOM 0 HB2 LYS A 101 9.555 -3.796 4.090 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.190 -5.252 4.995 1.00 0.00 H new ATOM 0 HG2 LYS A 101 11.716 -3.693 5.564 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.183 -3.178 6.238 1.00 0.00 H new ATOM 0 HD2 LYS A 101 9.889 -5.276 7.406 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.224 -6.017 6.545 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.613 -4.003 7.602 1.00 0.00 H new ATOM 0 HE3 LYS A 101 11.294 -3.968 8.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.083 -5.390 9.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 11.687 -6.315 9.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 12.965 -6.348 8.117 1.00 0.00 H new ATOM 611 N GLY A 102 10.103 -5.157 1.449 1.00 0.00 N ATOM 612 CA GLY A 102 9.372 -5.550 0.259 1.00 0.00 C ATOM 613 C GLY A 102 7.949 -5.028 0.255 1.00 0.00 C ATOM 614 O GLY A 102 7.037 -5.690 -0.244 1.00 0.00 O ATOM 0 H GLY A 102 10.591 -4.264 1.377 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.894 -5.180 -0.623 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.357 -6.638 0.188 1.00 0.00 H new ATOM 618 N THR A 103 7.754 -3.838 0.814 1.00 0.00 N ATOM 619 CA THR A 103 6.432 -3.229 0.876 1.00 0.00 C ATOM 620 C THR A 103 6.496 -1.740 0.552 1.00 0.00 C ATOM 621 O THR A 103 7.577 -1.155 0.489 1.00 0.00 O ATOM 622 CB THR A 103 5.793 -3.413 2.265 1.00 0.00 C ATOM 623 OG1 THR A 103 6.614 -2.803 3.267 1.00 0.00 O ATOM 624 CG2 THR A 103 5.608 -4.889 2.584 1.00 0.00 C ATOM 0 H THR A 103 8.496 -3.276 1.231 1.00 0.00 H new ATOM 0 HA THR A 103 5.817 -3.734 0.131 1.00 0.00 H new ATOM 0 HB THR A 103 4.814 -2.933 2.257 1.00 0.00 H new ATOM 0 HG1 THR A 103 6.096 -2.122 3.745 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.155 -4.994 3.570 1.00 0.00 H new ATOM 0 HG22 THR A 103 4.959 -5.344 1.836 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.577 -5.387 2.575 1.00 0.00 H new ATOM 632 N ALA A 104 5.332 -1.133 0.348 1.00 0.00 N ATOM 633 CA ALA A 104 5.256 0.288 0.034 1.00 0.00 C ATOM 634 C ALA A 104 4.129 0.963 0.808 1.00 0.00 C ATOM 635 O ALA A 104 2.995 0.483 0.818 1.00 0.00 O ATOM 636 CB ALA A 104 5.065 0.489 -1.462 1.00 0.00 C ATOM 0 H ALA A 104 4.428 -1.603 0.395 1.00 0.00 H new ATOM 0 HA ALA A 104 6.196 0.751 0.335 1.00 0.00 H new ATOM 0 HB1 ALA A 104 5.010 1.555 -1.682 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.907 0.051 -1.998 1.00 0.00 H new ATOM 0 HB3 ALA A 104 4.141 0.005 -1.779 1.00 0.00 H new ATOM 642 N PHE A 105 4.448 2.078 1.458 1.00 0.00 N ATOM 643 CA PHE A 105 3.462 2.817 2.237 1.00 0.00 C ATOM 644 C PHE A 105 3.165 4.170 1.595 1.00 0.00 C ATOM 645 O PHE A 105 4.070 4.972 1.364 1.00 0.00 O ATOM 646 CB PHE A 105 3.959 3.018 3.670 1.00 0.00 C ATOM 647 CG PHE A 105 3.991 1.751 4.476 1.00 0.00 C ATOM 648 CD1 PHE A 105 2.865 1.321 5.160 1.00 0.00 C ATOM 649 CD2 PHE A 105 5.146 0.990 4.549 1.00 0.00 C ATOM 650 CE1 PHE A 105 2.893 0.156 5.903 1.00 0.00 C ATOM 651 CE2 PHE A 105 5.179 -0.176 5.290 1.00 0.00 C ATOM 652 CZ PHE A 105 4.051 -0.594 5.967 1.00 0.00 C ATOM 0 H PHE A 105 5.382 2.489 1.460 1.00 0.00 H new ATOM 0 HA PHE A 105 2.541 2.234 2.258 1.00 0.00 H new ATOM 0 HB2 PHE A 105 4.961 3.447 3.642 1.00 0.00 H new ATOM 0 HB3 PHE A 105 3.316 3.742 4.171 1.00 0.00 H new ATOM 0 HD1 PHE A 105 1.956 1.902 5.112 1.00 0.00 H new ATOM 0 HD2 PHE A 105 6.031 1.312 4.021 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.010 -0.168 6.433 1.00 0.00 H new ATOM 0 HE2 PHE A 105 6.086 -0.760 5.339 1.00 0.00 H new ATOM 0 HZ PHE A 105 4.074 -1.506 6.546 1.00 0.00 H new ATOM 662 N VAL A 106 1.890 4.416 1.309 1.00 0.00 N ATOM 663 CA VAL A 106 1.473 5.670 0.695 1.00 0.00 C ATOM 664 C VAL A 106 0.274 6.267 1.424 1.00 0.00 C ATOM 665 O VAL A 106 -0.667 5.557 1.780 1.00 0.00 O ATOM 666 CB VAL A 106 1.112 5.476 -0.789 1.00 0.00 C ATOM 667 CG1 VAL A 106 0.717 6.802 -1.421 1.00 0.00 C ATOM 668 CG2 VAL A 106 2.273 4.842 -1.541 1.00 0.00 C ATOM 0 H VAL A 106 1.128 3.763 1.493 1.00 0.00 H new ATOM 0 HA VAL A 106 2.318 6.355 0.769 1.00 0.00 H new ATOM 0 HB VAL A 106 0.257 4.803 -0.852 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.465 6.645 -2.470 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.147 7.211 -0.898 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.550 7.502 -1.349 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.001 4.712 -2.588 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.148 5.488 -1.471 1.00 0.00 H new ATOM 0 HG23 VAL A 106 2.503 3.871 -1.103 1.00 0.00 H new ATOM 678 N THR A 107 0.315 7.577 1.645 1.00 0.00 N ATOM 679 CA THR A 107 -0.767 8.271 2.332 1.00 0.00 C ATOM 680 C THR A 107 -1.612 9.079 1.354 1.00 0.00 C ATOM 681 O THR A 107 -1.141 10.056 0.771 1.00 0.00 O ATOM 682 CB THR A 107 -0.226 9.212 3.425 1.00 0.00 C ATOM 683 OG1 THR A 107 0.792 8.549 4.183 1.00 0.00 O ATOM 684 CG2 THR A 107 -1.344 9.663 4.353 1.00 0.00 C ATOM 0 H THR A 107 1.087 8.179 1.358 1.00 0.00 H new ATOM 0 HA THR A 107 -1.388 7.505 2.797 1.00 0.00 H new ATOM 0 HB THR A 107 0.198 10.091 2.939 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.132 9.155 4.874 1.00 0.00 H new ATOM 0 HG21 THR A 107 -0.938 10.326 5.116 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.103 10.193 3.778 1.00 0.00 H new ATOM 0 HG23 THR A 107 -1.794 8.793 4.831 1.00 0.00 H new ATOM 692 N LEU A 108 -2.862 8.665 1.178 1.00 0.00 N ATOM 693 CA LEU A 108 -3.774 9.352 0.269 1.00 0.00 C ATOM 694 C LEU A 108 -4.431 10.545 0.956 1.00 0.00 C ATOM 695 O LEU A 108 -4.156 10.832 2.122 1.00 0.00 O ATOM 696 CB LEU A 108 -4.846 8.385 -0.236 1.00 0.00 C ATOM 697 CG LEU A 108 -4.500 7.600 -1.502 1.00 0.00 C ATOM 698 CD1 LEU A 108 -5.520 6.498 -1.743 1.00 0.00 C ATOM 699 CD2 LEU A 108 -4.424 8.532 -2.703 1.00 0.00 C ATOM 0 H LEU A 108 -3.267 7.858 1.652 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.196 9.718 -0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.068 7.673 0.559 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.759 8.951 -0.422 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.523 7.137 -1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.257 5.950 -2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.525 5.815 -0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.510 6.938 -1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.177 7.957 -3.595 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -5.387 9.024 -2.844 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.654 9.284 -2.532 1.00 0.00 H new ATOM 711 N LEU A 109 -5.302 11.234 0.227 1.00 0.00 N ATOM 712 CA LEU A 109 -6.001 12.395 0.767 1.00 0.00 C ATOM 713 C LEU A 109 -7.205 11.967 1.600 1.00 0.00 C ATOM 714 O LEU A 109 -7.262 12.223 2.802 1.00 0.00 O ATOM 715 CB LEU A 109 -6.453 13.316 -0.369 1.00 0.00 C ATOM 716 CG LEU A 109 -7.535 14.337 -0.014 1.00 0.00 C ATOM 717 CD1 LEU A 109 -7.004 15.351 0.986 1.00 0.00 C ATOM 718 CD2 LEU A 109 -8.041 15.035 -1.268 1.00 0.00 C ATOM 0 H LEU A 109 -5.541 11.009 -0.739 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.310 12.937 1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.582 13.854 -0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -6.820 12.697 -1.188 1.00 0.00 H new ATOM 0 HG LEU A 109 -8.370 13.808 0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -7.788 16.069 1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.692 14.837 1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -6.151 15.875 0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -8.810 15.758 -0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -7.214 15.551 -1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -8.462 14.297 -1.951 1.00 0.00 H new ATOM 730 N ASN A 110 -8.163 11.312 0.953 1.00 0.00 N ATOM 731 CA ASN A 110 -9.365 10.847 1.635 1.00 0.00 C ATOM 732 C ASN A 110 -9.319 9.337 1.849 1.00 0.00 C ATOM 733 O ASN A 110 -8.378 8.668 1.425 1.00 0.00 O ATOM 734 CB ASN A 110 -10.611 11.221 0.829 1.00 0.00 C ATOM 735 CG ASN A 110 -10.691 12.709 0.547 1.00 0.00 C ATOM 736 OD1 ASN A 110 -10.337 13.532 1.391 1.00 0.00 O ATOM 737 ND2 ASN A 110 -11.159 13.060 -0.645 1.00 0.00 N ATOM 0 H ASN A 110 -8.130 11.091 -0.042 1.00 0.00 H new ATOM 0 HA ASN A 110 -9.411 11.333 2.609 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -10.608 10.675 -0.114 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -11.501 10.909 1.375 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -11.237 14.047 -0.892 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -11.441 12.343 -1.314 1.00 0.00 H new ATOM 744 N GLY A 111 -10.344 8.807 2.509 1.00 0.00 N ATOM 745 CA GLY A 111 -10.401 7.380 2.768 1.00 0.00 C ATOM 746 C GLY A 111 -10.958 6.600 1.593 1.00 0.00 C ATOM 747 O GLY A 111 -10.589 5.446 1.377 1.00 0.00 O ATOM 0 H GLY A 111 -11.136 9.340 2.869 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -9.400 7.016 3.001 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -11.019 7.198 3.647 1.00 0.00 H new ATOM 751 N GLU A 112 -11.848 7.231 0.834 1.00 0.00 N ATOM 752 CA GLU A 112 -12.457 6.586 -0.324 1.00 0.00 C ATOM 753 C GLU A 112 -11.394 6.167 -1.336 1.00 0.00 C ATOM 754 O GLU A 112 -11.455 5.074 -1.897 1.00 0.00 O ATOM 755 CB GLU A 112 -13.466 7.527 -0.987 1.00 0.00 C ATOM 756 CG GLU A 112 -14.593 7.958 -0.064 1.00 0.00 C ATOM 757 CD GLU A 112 -15.783 8.519 -0.819 1.00 0.00 C ATOM 758 OE1 GLU A 112 -16.422 7.754 -1.571 1.00 0.00 O ATOM 759 OE2 GLU A 112 -16.074 9.723 -0.658 1.00 0.00 O ATOM 0 H GLU A 112 -12.163 8.187 0.999 1.00 0.00 H new ATOM 0 HA GLU A 112 -12.977 5.692 0.021 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -12.942 8.413 -1.346 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -13.892 7.033 -1.860 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -14.915 7.105 0.533 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -14.221 8.711 0.631 1.00 0.00 H new ATOM 766 N GLN A 113 -10.423 7.046 -1.563 1.00 0.00 N ATOM 767 CA GLN A 113 -9.348 6.768 -2.507 1.00 0.00 C ATOM 768 C GLN A 113 -8.559 5.533 -2.086 1.00 0.00 C ATOM 769 O GLN A 113 -8.076 4.776 -2.928 1.00 0.00 O ATOM 770 CB GLN A 113 -8.412 7.973 -2.616 1.00 0.00 C ATOM 771 CG GLN A 113 -9.114 9.252 -3.044 1.00 0.00 C ATOM 772 CD GLN A 113 -8.147 10.315 -3.526 1.00 0.00 C ATOM 773 OE1 GLN A 113 -8.231 10.778 -4.664 1.00 0.00 O ATOM 774 NE2 GLN A 113 -7.220 10.709 -2.660 1.00 0.00 N ATOM 0 H GLN A 113 -10.359 7.956 -1.106 1.00 0.00 H new ATOM 0 HA GLN A 113 -9.796 6.575 -3.482 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -7.931 8.138 -1.652 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -7.622 7.745 -3.331 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -9.823 9.024 -3.840 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -9.690 9.644 -2.206 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -7.187 10.299 -1.727 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -6.542 11.422 -2.928 1.00 0.00 H new ATOM 783 N ALA A 114 -8.432 5.335 -0.778 1.00 0.00 N ATOM 784 CA ALA A 114 -7.703 4.191 -0.246 1.00 0.00 C ATOM 785 C ALA A 114 -8.429 2.886 -0.553 1.00 0.00 C ATOM 786 O ALA A 114 -7.818 1.915 -0.999 1.00 0.00 O ATOM 787 CB ALA A 114 -7.502 4.345 1.255 1.00 0.00 C ATOM 0 H ALA A 114 -8.825 5.952 -0.067 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.727 4.156 -0.731 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -6.956 3.483 1.639 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.933 5.253 1.455 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -8.472 4.409 1.747 1.00 0.00 H new ATOM 793 N GLU A 115 -9.736 2.870 -0.311 1.00 0.00 N ATOM 794 CA GLU A 115 -10.544 1.683 -0.561 1.00 0.00 C ATOM 795 C GLU A 115 -10.484 1.283 -2.033 1.00 0.00 C ATOM 796 O GLU A 115 -10.300 0.112 -2.362 1.00 0.00 O ATOM 797 CB GLU A 115 -11.997 1.931 -0.148 1.00 0.00 C ATOM 798 CG GLU A 115 -12.963 0.875 -0.659 1.00 0.00 C ATOM 799 CD GLU A 115 -14.152 0.678 0.263 1.00 0.00 C ATOM 800 OE1 GLU A 115 -14.514 1.635 0.978 1.00 0.00 O ATOM 801 OE2 GLU A 115 -14.720 -0.434 0.267 1.00 0.00 O ATOM 0 H GLU A 115 -10.257 3.665 0.058 1.00 0.00 H new ATOM 0 HA GLU A 115 -10.138 0.867 0.036 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -12.055 1.969 0.940 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -12.310 2.907 -0.518 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -13.319 1.162 -1.649 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -12.435 -0.072 -0.772 1.00 0.00 H new ATOM 808 N ALA A 116 -10.640 2.266 -2.913 1.00 0.00 N ATOM 809 CA ALA A 116 -10.602 2.018 -4.349 1.00 0.00 C ATOM 810 C ALA A 116 -9.255 1.442 -4.771 1.00 0.00 C ATOM 811 O ALA A 116 -9.193 0.488 -5.546 1.00 0.00 O ATOM 812 CB ALA A 116 -10.892 3.301 -5.114 1.00 0.00 C ATOM 0 H ALA A 116 -10.794 3.241 -2.657 1.00 0.00 H new ATOM 0 HA ALA A 116 -11.372 1.284 -4.586 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -10.860 3.101 -6.185 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -11.881 3.671 -4.843 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -10.143 4.052 -4.863 1.00 0.00 H new ATOM 818 N ALA A 117 -8.179 2.028 -4.257 1.00 0.00 N ATOM 819 CA ALA A 117 -6.833 1.571 -4.580 1.00 0.00 C ATOM 820 C ALA A 117 -6.582 0.170 -4.033 1.00 0.00 C ATOM 821 O ALA A 117 -6.014 -0.681 -4.717 1.00 0.00 O ATOM 822 CB ALA A 117 -5.799 2.545 -4.034 1.00 0.00 C ATOM 0 H ALA A 117 -8.213 2.820 -3.615 1.00 0.00 H new ATOM 0 HA ALA A 117 -6.741 1.531 -5.665 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -4.799 2.191 -4.283 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -5.956 3.529 -4.477 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -5.901 2.614 -2.951 1.00 0.00 H new ATOM 828 N ILE A 118 -7.009 -0.062 -2.796 1.00 0.00 N ATOM 829 CA ILE A 118 -6.831 -1.360 -2.158 1.00 0.00 C ATOM 830 C ILE A 118 -7.682 -2.428 -2.837 1.00 0.00 C ATOM 831 O ILE A 118 -7.243 -3.563 -3.020 1.00 0.00 O ATOM 832 CB ILE A 118 -7.193 -1.307 -0.662 1.00 0.00 C ATOM 833 CG1 ILE A 118 -6.208 -0.411 0.092 1.00 0.00 C ATOM 834 CG2 ILE A 118 -7.204 -2.708 -0.069 1.00 0.00 C ATOM 835 CD1 ILE A 118 -6.655 -0.070 1.496 1.00 0.00 C ATOM 0 H ILE A 118 -7.481 0.632 -2.216 1.00 0.00 H new ATOM 0 HA ILE A 118 -5.777 -1.619 -2.260 1.00 0.00 H new ATOM 0 HB ILE A 118 -8.192 -0.883 -0.560 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.239 -0.908 0.138 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -6.066 0.512 -0.470 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -7.462 -2.653 0.989 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -7.941 -3.318 -0.591 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -6.217 -3.158 -0.179 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -5.909 0.567 1.971 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -7.609 0.456 1.457 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -6.770 -0.987 2.074 1.00 0.00 H new ATOM 847 N ASN A 119 -8.902 -2.056 -3.211 1.00 0.00 N ATOM 848 CA ASN A 119 -9.815 -2.981 -3.872 1.00 0.00 C ATOM 849 C ASN A 119 -9.203 -3.520 -5.162 1.00 0.00 C ATOM 850 O ASN A 119 -9.238 -4.723 -5.425 1.00 0.00 O ATOM 851 CB ASN A 119 -11.145 -2.289 -4.175 1.00 0.00 C ATOM 852 CG ASN A 119 -12.316 -3.253 -4.155 1.00 0.00 C ATOM 853 OD1 ASN A 119 -12.142 -4.462 -4.308 1.00 0.00 O ATOM 854 ND2 ASN A 119 -13.517 -2.720 -3.965 1.00 0.00 N ATOM 0 H ASN A 119 -9.281 -1.120 -3.067 1.00 0.00 H new ATOM 0 HA ASN A 119 -9.995 -3.819 -3.198 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -11.316 -1.499 -3.443 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -11.088 -1.811 -5.153 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -14.343 -3.318 -3.941 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -13.614 -1.712 -3.843 1.00 0.00 H new ATOM 861 N THR A 120 -8.642 -2.621 -5.965 1.00 0.00 N ATOM 862 CA THR A 120 -8.023 -3.005 -7.227 1.00 0.00 C ATOM 863 C THR A 120 -6.647 -3.619 -7.001 1.00 0.00 C ATOM 864 O THR A 120 -6.337 -4.686 -7.531 1.00 0.00 O ATOM 865 CB THR A 120 -7.885 -1.798 -8.175 1.00 0.00 C ATOM 866 OG1 THR A 120 -9.130 -1.095 -8.258 1.00 0.00 O ATOM 867 CG2 THR A 120 -7.457 -2.247 -9.564 1.00 0.00 C ATOM 0 H THR A 120 -8.604 -1.622 -5.763 1.00 0.00 H new ATOM 0 HA THR A 120 -8.677 -3.746 -7.687 1.00 0.00 H new ATOM 0 HB THR A 120 -7.120 -1.134 -7.773 1.00 0.00 H new ATOM 0 HG1 THR A 120 -9.265 -0.571 -7.441 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.366 -1.378 -10.215 1.00 0.00 H new ATOM 0 HG22 THR A 120 -6.495 -2.756 -9.502 1.00 0.00 H new ATOM 0 HG23 THR A 120 -8.203 -2.930 -9.972 1.00 0.00 H new ATOM 875 N PHE A 121 -5.824 -2.940 -6.209 1.00 0.00 N ATOM 876 CA PHE A 121 -4.479 -3.419 -5.912 1.00 0.00 C ATOM 877 C PHE A 121 -4.525 -4.792 -5.249 1.00 0.00 C ATOM 878 O PHE A 121 -3.655 -5.634 -5.475 1.00 0.00 O ATOM 879 CB PHE A 121 -3.749 -2.426 -5.006 1.00 0.00 C ATOM 880 CG PHE A 121 -3.606 -1.058 -5.608 1.00 0.00 C ATOM 881 CD1 PHE A 121 -3.912 -0.838 -6.941 1.00 0.00 C ATOM 882 CD2 PHE A 121 -3.165 0.008 -4.841 1.00 0.00 C ATOM 883 CE1 PHE A 121 -3.780 0.420 -7.498 1.00 0.00 C ATOM 884 CE2 PHE A 121 -3.031 1.269 -5.392 1.00 0.00 C ATOM 885 CZ PHE A 121 -3.341 1.475 -6.722 1.00 0.00 C ATOM 0 H PHE A 121 -6.065 -2.056 -5.761 1.00 0.00 H new ATOM 0 HA PHE A 121 -3.936 -3.508 -6.853 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -4.288 -2.344 -4.062 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -2.758 -2.818 -4.775 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -4.258 -1.659 -7.552 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -2.923 -0.148 -3.800 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -4.020 0.578 -8.539 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -2.685 2.091 -4.784 1.00 0.00 H new ATOM 0 HZ PHE A 121 -3.240 2.459 -7.155 1.00 0.00 H new ATOM 895 N HIS A 122 -5.547 -5.012 -4.428 1.00 0.00 N ATOM 896 CA HIS A 122 -5.708 -6.283 -3.730 1.00 0.00 C ATOM 897 C HIS A 122 -5.981 -7.414 -4.717 1.00 0.00 C ATOM 898 O HIS A 122 -6.268 -7.170 -5.889 1.00 0.00 O ATOM 899 CB HIS A 122 -6.848 -6.191 -2.715 1.00 0.00 C ATOM 900 CG HIS A 122 -7.285 -7.521 -2.183 1.00 0.00 C ATOM 901 ND1 HIS A 122 -8.486 -8.108 -2.519 1.00 0.00 N ATOM 902 CD2 HIS A 122 -6.672 -8.380 -1.334 1.00 0.00 C ATOM 903 CE1 HIS A 122 -8.594 -9.270 -1.900 1.00 0.00 C ATOM 904 NE2 HIS A 122 -7.507 -9.459 -1.175 1.00 0.00 N ATOM 0 H HIS A 122 -6.276 -4.327 -4.230 1.00 0.00 H new ATOM 0 HA HIS A 122 -4.779 -6.500 -3.203 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -6.533 -5.562 -1.883 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -7.700 -5.698 -3.182 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -5.707 -8.242 -0.869 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -9.430 -9.950 -1.974 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -7.318 -10.274 -0.592 1.00 0.00 H new ATOM 913 N GLN A 123 -5.888 -8.649 -4.235 1.00 0.00 N ATOM 914 CA GLN A 123 -6.124 -9.816 -5.076 1.00 0.00 C ATOM 915 C GLN A 123 -5.442 -9.657 -6.431 1.00 0.00 C ATOM 916 O GLN A 123 -5.870 -10.245 -7.425 1.00 0.00 O ATOM 917 CB GLN A 123 -7.625 -10.037 -5.270 1.00 0.00 C ATOM 918 CG GLN A 123 -8.391 -8.764 -5.592 1.00 0.00 C ATOM 919 CD GLN A 123 -9.881 -9.001 -5.740 1.00 0.00 C ATOM 920 OE1 GLN A 123 -10.371 -10.106 -5.508 1.00 0.00 O ATOM 921 NE2 GLN A 123 -10.610 -7.961 -6.128 1.00 0.00 N ATOM 0 H GLN A 123 -5.651 -8.867 -3.267 1.00 0.00 H new ATOM 0 HA GLN A 123 -5.698 -10.685 -4.575 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -7.777 -10.756 -6.075 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.038 -10.481 -4.364 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -8.220 -8.032 -4.803 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -8.002 -8.334 -6.515 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -10.161 -7.063 -6.309 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -11.618 -8.060 -6.245 1.00 0.00 H new ATOM 930 N SER A 124 -4.380 -8.858 -6.464 1.00 0.00 N ATOM 931 CA SER A 124 -3.642 -8.619 -7.698 1.00 0.00 C ATOM 932 C SER A 124 -2.411 -9.517 -7.778 1.00 0.00 C ATOM 933 O SER A 124 -2.071 -10.209 -6.819 1.00 0.00 O ATOM 934 CB SER A 124 -3.222 -7.150 -7.789 1.00 0.00 C ATOM 935 OG SER A 124 -2.127 -6.879 -6.932 1.00 0.00 O ATOM 0 H SER A 124 -4.012 -8.366 -5.650 1.00 0.00 H new ATOM 0 HA SER A 124 -4.298 -8.855 -8.536 1.00 0.00 H new ATOM 0 HB2 SER A 124 -2.952 -6.909 -8.817 1.00 0.00 H new ATOM 0 HB3 SER A 124 -4.064 -6.511 -7.522 1.00 0.00 H new ATOM 0 HG SER A 124 -2.456 -6.713 -6.024 1.00 0.00 H new ATOM 941 N ARG A 125 -1.748 -9.500 -8.930 1.00 0.00 N ATOM 942 CA ARG A 125 -0.556 -10.314 -9.137 1.00 0.00 C ATOM 943 C ARG A 125 0.489 -9.550 -9.945 1.00 0.00 C ATOM 944 O ARG A 125 0.158 -8.641 -10.707 1.00 0.00 O ATOM 945 CB ARG A 125 -0.919 -11.616 -9.854 1.00 0.00 C ATOM 946 CG ARG A 125 -1.433 -12.701 -8.922 1.00 0.00 C ATOM 947 CD ARG A 125 -1.671 -14.006 -9.665 1.00 0.00 C ATOM 948 NE ARG A 125 -2.738 -13.886 -10.655 1.00 0.00 N ATOM 949 CZ ARG A 125 -2.841 -14.668 -11.723 1.00 0.00 C ATOM 950 NH1 ARG A 125 -1.946 -15.623 -11.939 1.00 0.00 N ATOM 951 NH2 ARG A 125 -3.840 -14.497 -12.579 1.00 0.00 N ATOM 0 H ARG A 125 -2.016 -8.932 -9.734 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.134 -10.551 -8.160 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.678 -11.406 -10.608 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -0.040 -11.988 -10.381 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -0.714 -12.864 -8.120 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -2.362 -12.372 -8.456 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -0.750 -14.314 -10.160 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -1.926 -14.789 -8.950 1.00 0.00 H new ATOM 0 HE ARG A 125 -3.443 -13.162 -10.518 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -1.176 -15.758 -11.284 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -2.028 -16.222 -12.760 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -4.530 -13.764 -12.417 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -3.918 -15.099 -13.399 1.00 0.00 H new ATOM 965 N LEU A 126 1.752 -9.926 -9.773 1.00 0.00 N ATOM 966 CA LEU A 126 2.847 -9.276 -10.486 1.00 0.00 C ATOM 967 C LEU A 126 4.014 -10.238 -10.684 1.00 0.00 C ATOM 968 O LEU A 126 4.499 -10.846 -9.730 1.00 0.00 O ATOM 969 CB LEU A 126 3.316 -8.038 -9.721 1.00 0.00 C ATOM 970 CG LEU A 126 4.710 -7.518 -10.075 1.00 0.00 C ATOM 971 CD1 LEU A 126 4.685 -6.793 -11.412 1.00 0.00 C ATOM 972 CD2 LEU A 126 5.231 -6.600 -8.979 1.00 0.00 C ATOM 0 H LEU A 126 2.043 -10.677 -9.147 1.00 0.00 H new ATOM 0 HA LEU A 126 2.480 -8.972 -11.466 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.597 -7.237 -9.891 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.294 -8.265 -8.655 1.00 0.00 H new ATOM 0 HG LEU A 126 5.384 -8.370 -10.159 1.00 0.00 H new ATOM 0 HD11 LEU A 126 5.685 -6.430 -11.648 1.00 0.00 H new ATOM 0 HD12 LEU A 126 4.355 -7.479 -12.192 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.997 -5.950 -11.356 1.00 0.00 H new ATOM 0 HD21 LEU A 126 6.224 -6.239 -9.248 1.00 0.00 H new ATOM 0 HD22 LEU A 126 4.556 -5.752 -8.863 1.00 0.00 H new ATOM 0 HD23 LEU A 126 5.287 -7.150 -8.040 1.00 0.00 H new ATOM 984 N ARG A 127 4.461 -10.370 -11.929 1.00 0.00 N ATOM 985 CA ARG A 127 5.571 -11.257 -12.252 1.00 0.00 C ATOM 986 C ARG A 127 5.287 -12.680 -11.779 1.00 0.00 C ATOM 987 O ARG A 127 6.184 -13.379 -11.310 1.00 0.00 O ATOM 988 CB ARG A 127 6.863 -10.745 -11.613 1.00 0.00 C ATOM 989 CG ARG A 127 7.508 -9.599 -12.377 1.00 0.00 C ATOM 990 CD ARG A 127 8.206 -10.092 -13.634 1.00 0.00 C ATOM 991 NE ARG A 127 8.834 -9.000 -14.375 1.00 0.00 N ATOM 992 CZ ARG A 127 8.182 -8.225 -15.234 1.00 0.00 C ATOM 993 NH1 ARG A 127 6.890 -8.419 -15.460 1.00 0.00 N ATOM 994 NH2 ARG A 127 8.823 -7.252 -15.869 1.00 0.00 N ATOM 0 H ARG A 127 4.071 -9.874 -12.730 1.00 0.00 H new ATOM 0 HA ARG A 127 5.689 -11.270 -13.336 1.00 0.00 H new ATOM 0 HB2 ARG A 127 6.650 -10.418 -10.595 1.00 0.00 H new ATOM 0 HB3 ARG A 127 7.574 -11.568 -11.541 1.00 0.00 H new ATOM 0 HG2 ARG A 127 6.748 -8.866 -12.645 1.00 0.00 H new ATOM 0 HG3 ARG A 127 8.228 -9.092 -11.735 1.00 0.00 H new ATOM 0 HD2 ARG A 127 8.962 -10.829 -13.364 1.00 0.00 H new ATOM 0 HD3 ARG A 127 7.484 -10.597 -14.275 1.00 0.00 H new ATOM 0 HE ARG A 127 9.827 -8.823 -14.224 1.00 0.00 H new ATOM 0 HH11 ARG A 127 6.394 -9.165 -14.973 1.00 0.00 H new ATOM 0 HH12 ARG A 127 6.392 -7.822 -16.120 1.00 0.00 H new ATOM 0 HH21 ARG A 127 9.817 -7.099 -15.697 1.00 0.00 H new ATOM 0 HH22 ARG A 127 8.322 -6.657 -16.529 1.00 0.00 H new ATOM 1008 N GLU A 128 4.032 -13.100 -11.905 1.00 0.00 N ATOM 1009 CA GLU A 128 3.629 -14.438 -11.488 1.00 0.00 C ATOM 1010 C GLU A 128 3.765 -14.602 -9.977 1.00 0.00 C ATOM 1011 O GLU A 128 4.365 -15.564 -9.498 1.00 0.00 O ATOM 1012 CB GLU A 128 4.474 -15.494 -12.204 1.00 0.00 C ATOM 1013 CG GLU A 128 4.507 -15.327 -13.714 1.00 0.00 C ATOM 1014 CD GLU A 128 3.384 -16.073 -14.408 1.00 0.00 C ATOM 1015 OE1 GLU A 128 2.225 -15.617 -14.322 1.00 0.00 O ATOM 1016 OE2 GLU A 128 3.665 -17.114 -15.039 1.00 0.00 O ATOM 0 H GLU A 128 3.277 -12.533 -12.292 1.00 0.00 H new ATOM 0 HA GLU A 128 2.582 -14.575 -11.758 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.493 -15.453 -11.820 1.00 0.00 H new ATOM 0 HB3 GLU A 128 4.083 -16.483 -11.965 1.00 0.00 H new ATOM 0 HG2 GLU A 128 4.441 -14.267 -13.960 1.00 0.00 H new ATOM 0 HG3 GLU A 128 5.464 -15.683 -14.094 1.00 0.00 H new ATOM 1023 N ARG A 129 3.203 -13.654 -9.233 1.00 0.00 N ATOM 1024 CA ARG A 129 3.262 -13.691 -7.777 1.00 0.00 C ATOM 1025 C ARG A 129 2.030 -13.032 -7.166 1.00 0.00 C ATOM 1026 O ARG A 129 1.490 -12.073 -7.717 1.00 0.00 O ATOM 1027 CB ARG A 129 4.528 -12.992 -7.279 1.00 0.00 C ATOM 1028 CG ARG A 129 4.349 -11.501 -7.045 1.00 0.00 C ATOM 1029 CD ARG A 129 3.894 -11.211 -5.623 1.00 0.00 C ATOM 1030 NE ARG A 129 4.968 -11.409 -4.654 1.00 0.00 N ATOM 1031 CZ ARG A 129 6.035 -10.623 -4.568 1.00 0.00 C ATOM 1032 NH1 ARG A 129 6.170 -9.591 -5.389 1.00 0.00 N ATOM 1033 NH2 ARG A 129 6.970 -10.868 -3.659 1.00 0.00 N ATOM 0 H ARG A 129 2.702 -12.852 -9.615 1.00 0.00 H new ATOM 0 HA ARG A 129 3.286 -14.735 -7.466 1.00 0.00 H new ATOM 0 HB2 ARG A 129 4.850 -13.461 -6.349 1.00 0.00 H new ATOM 0 HB3 ARG A 129 5.326 -13.144 -8.005 1.00 0.00 H new ATOM 0 HG2 ARG A 129 5.290 -10.986 -7.240 1.00 0.00 H new ATOM 0 HG3 ARG A 129 3.617 -11.106 -7.750 1.00 0.00 H new ATOM 0 HD2 ARG A 129 3.534 -10.184 -5.560 1.00 0.00 H new ATOM 0 HD3 ARG A 129 3.055 -11.859 -5.372 1.00 0.00 H new ATOM 0 HE ARG A 129 4.895 -12.194 -4.007 1.00 0.00 H new ATOM 0 HH11 ARG A 129 5.453 -9.399 -6.089 1.00 0.00 H new ATOM 0 HH12 ARG A 129 6.991 -8.989 -5.321 1.00 0.00 H new ATOM 0 HH21 ARG A 129 6.870 -11.661 -3.025 1.00 0.00 H new ATOM 0 HH22 ARG A 129 7.789 -10.264 -3.594 1.00 0.00 H new ATOM 1047 N GLU A 130 1.591 -13.552 -6.024 1.00 0.00 N ATOM 1048 CA GLU A 130 0.421 -13.014 -5.340 1.00 0.00 C ATOM 1049 C GLU A 130 0.787 -11.772 -4.532 1.00 0.00 C ATOM 1050 O GLU A 130 1.657 -11.818 -3.661 1.00 0.00 O ATOM 1051 CB GLU A 130 -0.191 -14.072 -4.420 1.00 0.00 C ATOM 1052 CG GLU A 130 0.595 -14.293 -3.138 1.00 0.00 C ATOM 1053 CD GLU A 130 0.124 -15.511 -2.367 1.00 0.00 C ATOM 1054 OE1 GLU A 130 -0.947 -15.433 -1.731 1.00 0.00 O ATOM 1055 OE2 GLU A 130 0.828 -16.542 -2.401 1.00 0.00 O ATOM 0 H GLU A 130 2.028 -14.345 -5.553 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.312 -12.732 -6.096 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -1.209 -13.775 -4.166 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -0.260 -15.016 -4.961 1.00 0.00 H new ATOM 0 HG2 GLU A 130 1.652 -14.407 -3.379 1.00 0.00 H new ATOM 0 HG3 GLU A 130 0.506 -13.410 -2.505 1.00 0.00 H new ATOM 1062 N LEU A 131 0.118 -10.663 -4.827 1.00 0.00 N ATOM 1063 CA LEU A 131 0.372 -9.408 -4.129 1.00 0.00 C ATOM 1064 C LEU A 131 -0.651 -9.184 -3.020 1.00 0.00 C ATOM 1065 O LEU A 131 -1.853 -9.345 -3.229 1.00 0.00 O ATOM 1066 CB LEU A 131 0.337 -8.238 -5.114 1.00 0.00 C ATOM 1067 CG LEU A 131 1.261 -8.353 -6.327 1.00 0.00 C ATOM 1068 CD1 LEU A 131 0.685 -7.592 -7.511 1.00 0.00 C ATOM 1069 CD2 LEU A 131 2.653 -7.843 -5.987 1.00 0.00 C ATOM 0 H LEU A 131 -0.604 -10.607 -5.545 1.00 0.00 H new ATOM 0 HA LEU A 131 1.362 -9.466 -3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -0.686 -8.121 -5.472 1.00 0.00 H new ATOM 0 HB3 LEU A 131 0.592 -7.326 -4.573 1.00 0.00 H new ATOM 0 HG LEU A 131 1.339 -9.405 -6.602 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.356 -7.685 -8.365 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.290 -8.005 -7.769 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.576 -6.540 -7.249 1.00 0.00 H new ATOM 0 HD21 LEU A 131 3.297 -7.932 -6.862 1.00 0.00 H new ATOM 0 HD22 LEU A 131 2.594 -6.797 -5.685 1.00 0.00 H new ATOM 0 HD23 LEU A 131 3.067 -8.433 -5.170 1.00 0.00 H new ATOM 1081 N SER A 132 -0.165 -8.811 -1.840 1.00 0.00 N ATOM 1082 CA SER A 132 -1.037 -8.567 -0.697 1.00 0.00 C ATOM 1083 C SER A 132 -1.149 -7.073 -0.409 1.00 0.00 C ATOM 1084 O SER A 132 -0.178 -6.328 -0.545 1.00 0.00 O ATOM 1085 CB SER A 132 -0.509 -9.298 0.539 1.00 0.00 C ATOM 1086 OG SER A 132 -1.119 -10.570 0.678 1.00 0.00 O ATOM 0 H SER A 132 0.828 -8.671 -1.651 1.00 0.00 H new ATOM 0 HA SER A 132 -2.029 -8.948 -0.940 1.00 0.00 H new ATOM 0 HB2 SER A 132 0.572 -9.416 0.462 1.00 0.00 H new ATOM 0 HB3 SER A 132 -0.702 -8.699 1.429 1.00 0.00 H new ATOM 0 HG SER A 132 -0.764 -11.018 1.474 1.00 0.00 H new ATOM 1092 N VAL A 133 -2.341 -6.642 -0.009 1.00 0.00 N ATOM 1093 CA VAL A 133 -2.582 -5.237 0.300 1.00 0.00 C ATOM 1094 C VAL A 133 -3.518 -5.090 1.494 1.00 0.00 C ATOM 1095 O VAL A 133 -4.500 -5.822 1.619 1.00 0.00 O ATOM 1096 CB VAL A 133 -3.184 -4.492 -0.906 1.00 0.00 C ATOM 1097 CG1 VAL A 133 -3.362 -3.016 -0.587 1.00 0.00 C ATOM 1098 CG2 VAL A 133 -2.311 -4.679 -2.138 1.00 0.00 C ATOM 0 H VAL A 133 -3.155 -7.245 0.109 1.00 0.00 H new ATOM 0 HA VAL A 133 -1.615 -4.796 0.544 1.00 0.00 H new ATOM 0 HB VAL A 133 -4.166 -4.914 -1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -3.788 -2.506 -1.451 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -4.031 -2.906 0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -2.394 -2.576 -0.347 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -2.752 -4.146 -2.980 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -1.314 -4.285 -1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -2.241 -5.740 -2.377 1.00 0.00 H new ATOM 1108 N GLN A 134 -3.208 -4.139 2.369 1.00 0.00 N ATOM 1109 CA GLN A 134 -4.022 -3.896 3.554 1.00 0.00 C ATOM 1110 C GLN A 134 -3.997 -2.420 3.938 1.00 0.00 C ATOM 1111 O GLN A 134 -3.108 -1.675 3.524 1.00 0.00 O ATOM 1112 CB GLN A 134 -3.526 -4.748 4.723 1.00 0.00 C ATOM 1113 CG GLN A 134 -2.036 -4.604 4.991 1.00 0.00 C ATOM 1114 CD GLN A 134 -1.204 -5.606 4.215 1.00 0.00 C ATOM 1115 OE1 GLN A 134 -0.775 -5.337 3.093 1.00 0.00 O ATOM 1116 NE2 GLN A 134 -0.971 -6.770 4.810 1.00 0.00 N ATOM 0 H GLN A 134 -2.399 -3.524 2.280 1.00 0.00 H new ATOM 0 HA GLN A 134 -5.050 -4.175 3.321 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -4.077 -4.472 5.622 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -3.751 -5.795 4.520 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -1.720 -3.594 4.729 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -1.849 -4.730 6.057 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -1.346 -6.951 5.741 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -0.417 -7.483 4.336 1.00 0.00 H new ATOM 1125 N LEU A 135 -4.979 -2.004 4.731 1.00 0.00 N ATOM 1126 CA LEU A 135 -5.070 -0.616 5.171 1.00 0.00 C ATOM 1127 C LEU A 135 -3.912 -0.262 6.098 1.00 0.00 C ATOM 1128 O LEU A 135 -3.461 -1.091 6.887 1.00 0.00 O ATOM 1129 CB LEU A 135 -6.402 -0.374 5.884 1.00 0.00 C ATOM 1130 CG LEU A 135 -7.631 -0.244 4.983 1.00 0.00 C ATOM 1131 CD1 LEU A 135 -8.907 -0.348 5.804 1.00 0.00 C ATOM 1132 CD2 LEU A 135 -7.594 1.069 4.216 1.00 0.00 C ATOM 0 H LEU A 135 -5.723 -2.608 5.082 1.00 0.00 H new ATOM 0 HA LEU A 135 -5.014 0.024 4.290 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -6.572 -1.194 6.581 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -6.314 0.536 6.478 1.00 0.00 H new ATOM 0 HG LEU A 135 -7.618 -1.062 4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -9.771 -0.253 5.147 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -8.938 -1.314 6.307 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -8.927 0.449 6.547 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -8.476 1.144 3.580 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -7.582 1.901 4.920 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -6.697 1.104 3.598 1.00 0.00 H new ATOM 1144 N GLN A 136 -3.439 0.976 5.998 1.00 0.00 N ATOM 1145 CA GLN A 136 -2.335 1.440 6.830 1.00 0.00 C ATOM 1146 C GLN A 136 -2.738 1.477 8.300 1.00 0.00 C ATOM 1147 O GLN A 136 -3.875 1.795 8.649 1.00 0.00 O ATOM 1148 CB GLN A 136 -1.878 2.829 6.379 1.00 0.00 C ATOM 1149 CG GLN A 136 -0.793 2.798 5.315 1.00 0.00 C ATOM 1150 CD GLN A 136 -0.042 4.110 5.208 1.00 0.00 C ATOM 1151 OE1 GLN A 136 -0.411 5.103 5.836 1.00 0.00 O ATOM 1152 NE2 GLN A 136 1.019 4.122 4.410 1.00 0.00 N ATOM 0 H GLN A 136 -3.802 1.675 5.350 1.00 0.00 H new ATOM 0 HA GLN A 136 -1.509 0.738 6.717 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -2.737 3.377 5.993 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -1.510 3.380 7.245 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -0.088 1.998 5.543 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -1.242 2.561 4.350 1.00 0.00 H new ATOM 0 HE21 GLN A 136 1.289 3.276 3.908 1.00 0.00 H new ATOM 0 HE22 GLN A 136 1.564 4.977 4.299 1.00 0.00 H new