USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 554 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 150 HIS : no HD1:sc= -0.652 K(o=-0.65,f=-2.1) USER MOD Set 1.2: A 151 GLN : amide:sc= 0 X(o=-0.65,f=-0.66) USER MOD Single : A 100 LYS NZ :NH3+ 176:sc= -0.257 (180deg=-0.266) USER MOD Single : A 101 ASN : amide:sc= 0.161 X(o=0.16,f=-0.31) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 SER OG : rot -80:sc= -2.81! USER MOD Single : A 107 ASN : amide:sc= -4.05! C(o=-4!,f=-4.6!) USER MOD Single : A 109 GLN : amide:sc=-0.00344 K(o=-0.0034,f=-1.1) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 116 LYS NZ :NH3+ -112:sc= -0.534 (180deg=-2.43!) USER MOD Single : A 118 TYR OH : rot 165:sc= -0.0329 USER MOD Single : A 121 LYS NZ :NH3+ 148:sc= -0.319 (180deg=-1.34) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -0.811 K(o=-0.81,f=-0.0096) USER MOD Single : A 129 LYS NZ :NH3+ 135:sc= 0.141 (180deg=-0.537) USER MOD Single : A 131 THR OG1 : rot 78:sc= 1.23 USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= -0.177 K(o=-0.18,f=-0.78) USER MOD Single : A 141 GLN : amide:sc= -0.846 K(o=-0.85,f=-5.1!) USER MOD Single : A 143 GLN : amide:sc= -3.89! K(o=-3.9!,f=-0.4) USER MOD Single : A 144 ASN : amide:sc= -0.588 K(o=-0.59,f=-0.04) USER MOD Single : A 147 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.019) USER MOD Single : A 148 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 152 TYR OH : rot 180:sc= 0 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 96 1.182 12.470 -2.015 1.00 0.00 N ATOM 60 CA GLY A 96 1.669 11.313 -1.287 1.00 0.00 C ATOM 61 C GLY A 96 0.557 10.355 -0.910 1.00 0.00 C ATOM 62 O GLY A 96 -0.592 10.764 -0.740 1.00 0.00 O ATOM 0 HA2 GLY A 96 2.406 10.788 -1.896 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.180 11.645 -0.383 1.00 0.00 H new ATOM 66 N ILE A 97 0.897 9.077 -0.779 1.00 0.00 N ATOM 67 CA ILE A 97 -0.082 8.059 -0.421 1.00 0.00 C ATOM 68 C ILE A 97 0.511 7.044 0.551 1.00 0.00 C ATOM 69 O ILE A 97 1.729 6.876 0.624 1.00 0.00 O ATOM 70 CB ILE A 97 -0.605 7.317 -1.665 1.00 0.00 C ATOM 71 CG1 ILE A 97 0.559 6.701 -2.444 1.00 0.00 C ATOM 72 CG2 ILE A 97 -1.400 8.264 -2.551 1.00 0.00 C ATOM 73 CD1 ILE A 97 0.120 5.736 -3.523 1.00 0.00 C ATOM 0 H ILE A 97 1.844 8.722 -0.916 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.913 8.576 0.059 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.266 6.514 -1.340 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.145 7.500 -2.899 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.217 6.180 -1.748 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.763 7.725 -3.426 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -2.247 8.660 -1.992 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -0.760 9.086 -2.871 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.997 5.338 -4.034 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.440 4.917 -3.072 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.513 6.257 -4.241 1.00 0.00 H new ATOM 85 N LEU A 98 -0.358 6.369 1.295 1.00 0.00 N ATOM 86 CA LEU A 98 0.079 5.368 2.262 1.00 0.00 C ATOM 87 C LEU A 98 -0.266 3.961 1.783 1.00 0.00 C ATOM 88 O LEU A 98 -1.413 3.674 1.443 1.00 0.00 O ATOM 89 CB LEU A 98 -0.567 5.628 3.623 1.00 0.00 C ATOM 90 CG LEU A 98 -0.426 7.048 4.173 1.00 0.00 C ATOM 91 CD1 LEU A 98 -1.233 7.208 5.452 1.00 0.00 C ATOM 92 CD2 LEU A 98 1.038 7.382 4.418 1.00 0.00 C ATOM 0 H LEU A 98 -1.369 6.496 1.247 1.00 0.00 H new ATOM 0 HA LEU A 98 1.162 5.443 2.361 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.629 5.392 3.550 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.136 4.935 4.346 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.818 7.745 3.432 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.120 8.225 5.829 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.285 7.012 5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.873 6.502 6.200 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.119 8.396 4.809 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.455 6.680 5.140 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.590 7.309 3.481 1.00 0.00 H new ATOM 104 N VAL A 99 0.735 3.087 1.762 1.00 0.00 N ATOM 105 CA VAL A 99 0.537 1.709 1.328 1.00 0.00 C ATOM 106 C VAL A 99 0.327 0.782 2.520 1.00 0.00 C ATOM 107 O VAL A 99 1.285 0.333 3.149 1.00 0.00 O ATOM 108 CB VAL A 99 1.736 1.202 0.504 1.00 0.00 C ATOM 109 CG1 VAL A 99 1.721 -0.317 0.418 1.00 0.00 C ATOM 110 CG2 VAL A 99 1.727 1.823 -0.885 1.00 0.00 C ATOM 0 H VAL A 99 1.691 3.308 2.040 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.355 1.700 0.702 1.00 0.00 H new ATOM 0 HB VAL A 99 2.655 1.504 1.007 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.575 -0.657 -0.168 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.778 -0.739 1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.799 -0.645 -0.061 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.581 1.454 -1.454 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.804 1.552 -1.399 1.00 0.00 H new ATOM 0 HG23 VAL A 99 1.790 2.908 -0.799 1.00 0.00 H new ATOM 120 N LYS A 100 -0.935 0.499 2.827 1.00 0.00 N ATOM 121 CA LYS A 100 -1.274 -0.376 3.943 1.00 0.00 C ATOM 122 C LYS A 100 -1.706 -1.751 3.444 1.00 0.00 C ATOM 123 O LYS A 100 -1.912 -1.951 2.248 1.00 0.00 O ATOM 124 CB LYS A 100 -2.390 0.247 4.785 1.00 0.00 C ATOM 125 CG LYS A 100 -2.050 1.627 5.319 1.00 0.00 C ATOM 126 CD LYS A 100 -2.898 1.981 6.529 1.00 0.00 C ATOM 127 CE LYS A 100 -2.164 2.928 7.467 1.00 0.00 C ATOM 128 NZ LYS A 100 -1.893 4.244 6.824 1.00 0.00 N ATOM 0 H LYS A 100 -1.740 0.863 2.318 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.385 -0.496 4.562 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.295 0.313 4.182 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.613 -0.413 5.623 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -0.995 1.664 5.590 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.204 2.369 4.536 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.829 2.443 6.200 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.166 1.071 7.066 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -2.758 3.079 8.368 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.223 2.475 7.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.453 4.884 7.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.250 4.110 6.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.787 4.658 6.489 1.00 0.00 H new ATOM 142 N ASN A 101 -1.842 -2.695 4.370 1.00 0.00 N ATOM 143 CA ASN A 101 -2.250 -4.052 4.024 1.00 0.00 C ATOM 144 C ASN A 101 -1.252 -4.693 3.065 1.00 0.00 C ATOM 145 O ASN A 101 -1.627 -5.195 2.004 1.00 0.00 O ATOM 146 CB ASN A 101 -3.645 -4.042 3.394 1.00 0.00 C ATOM 147 CG ASN A 101 -4.408 -5.325 3.658 1.00 0.00 C ATOM 148 OD1 ASN A 101 -4.486 -5.792 4.794 1.00 0.00 O ATOM 149 ND2 ASN A 101 -4.975 -5.903 2.605 1.00 0.00 N ATOM 0 H ASN A 101 -1.676 -2.545 5.365 1.00 0.00 H new ATOM 0 HA ASN A 101 -2.276 -4.642 4.940 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -4.212 -3.198 3.787 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -3.554 -3.892 2.318 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.501 -6.769 2.720 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -4.885 -5.480 1.681 1.00 0.00 H new ATOM 156 N LEU A 102 0.021 -4.673 3.445 1.00 0.00 N ATOM 157 CA LEU A 102 1.075 -5.253 2.620 1.00 0.00 C ATOM 158 C LEU A 102 1.325 -6.709 3.000 1.00 0.00 C ATOM 159 O LEU A 102 1.095 -7.129 4.134 1.00 0.00 O ATOM 160 CB LEU A 102 2.366 -4.447 2.766 1.00 0.00 C ATOM 161 CG LEU A 102 2.390 -3.085 2.071 1.00 0.00 C ATOM 162 CD1 LEU A 102 3.695 -2.360 2.362 1.00 0.00 C ATOM 163 CD2 LEU A 102 2.192 -3.249 0.571 1.00 0.00 C ATOM 0 H LEU A 102 0.348 -4.261 4.319 1.00 0.00 H new ATOM 0 HA LEU A 102 0.749 -5.219 1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.557 -4.294 3.828 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.190 -5.045 2.377 1.00 0.00 H new ATOM 0 HG LEU A 102 1.569 -2.484 2.463 1.00 0.00 H new ATOM 0 HD11 LEU A 102 3.694 -1.393 1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.796 -2.210 3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.532 -2.957 1.999 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.212 -2.270 0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.991 -3.868 0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.231 -3.726 0.381 1.00 0.00 H new ATOM 175 N PRO A 103 1.810 -7.499 2.030 1.00 0.00 N ATOM 176 CA PRO A 103 2.105 -8.920 2.240 1.00 0.00 C ATOM 177 C PRO A 103 3.309 -9.133 3.151 1.00 0.00 C ATOM 178 O PRO A 103 3.783 -8.199 3.796 1.00 0.00 O ATOM 179 CB PRO A 103 2.405 -9.432 0.829 1.00 0.00 C ATOM 180 CG PRO A 103 2.868 -8.230 0.080 1.00 0.00 C ATOM 181 CD PRO A 103 2.108 -7.066 0.655 1.00 0.00 C ATOM 0 HA PRO A 103 1.282 -9.439 2.731 1.00 0.00 H new ATOM 0 HB2 PRO A 103 3.170 -10.208 0.844 1.00 0.00 H new ATOM 0 HB3 PRO A 103 1.518 -9.868 0.369 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.943 -8.089 0.194 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.672 -8.335 -0.987 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.702 -6.152 0.641 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.197 -6.863 0.091 1.00 0.00 H new ATOM 189 N GLN A 104 3.797 -10.368 3.199 1.00 0.00 N ATOM 190 CA GLN A 104 4.946 -10.704 4.032 1.00 0.00 C ATOM 191 C GLN A 104 6.252 -10.451 3.285 1.00 0.00 C ATOM 192 O GLN A 104 7.280 -10.159 3.896 1.00 0.00 O ATOM 193 CB GLN A 104 4.872 -12.166 4.474 1.00 0.00 C ATOM 194 CG GLN A 104 5.046 -13.156 3.334 1.00 0.00 C ATOM 195 CD GLN A 104 4.697 -14.576 3.736 1.00 0.00 C ATOM 196 OE1 GLN A 104 5.573 -15.365 4.093 1.00 0.00 O ATOM 197 NE2 GLN A 104 3.413 -14.909 3.681 1.00 0.00 N ATOM 0 H GLN A 104 3.415 -11.153 2.671 1.00 0.00 H new ATOM 0 HA GLN A 104 4.923 -10.064 4.914 1.00 0.00 H new ATOM 0 HB2 GLN A 104 5.641 -12.349 5.224 1.00 0.00 H new ATOM 0 HB3 GLN A 104 3.910 -12.343 4.954 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.417 -12.854 2.497 1.00 0.00 H new ATOM 0 HG3 GLN A 104 6.078 -13.124 2.985 1.00 0.00 H new ATOM 0 HE21 GLN A 104 2.721 -14.223 3.379 1.00 0.00 H new ATOM 0 HE22 GLN A 104 3.119 -15.851 3.940 1.00 0.00 H new ATOM 206 N ASP A 105 6.203 -10.566 1.963 1.00 0.00 N ATOM 207 CA ASP A 105 7.382 -10.350 1.133 1.00 0.00 C ATOM 208 C ASP A 105 7.303 -9.006 0.415 1.00 0.00 C ATOM 209 O ASP A 105 7.923 -8.811 -0.630 1.00 0.00 O ATOM 210 CB ASP A 105 7.528 -11.479 0.112 1.00 0.00 C ATOM 211 CG ASP A 105 8.971 -11.718 -0.286 1.00 0.00 C ATOM 212 OD1 ASP A 105 9.867 -11.444 0.540 1.00 0.00 O ATOM 213 OD2 ASP A 105 9.205 -12.177 -1.424 1.00 0.00 O ATOM 0 H ASP A 105 5.360 -10.808 1.443 1.00 0.00 H new ATOM 0 HA ASP A 105 8.257 -10.344 1.783 1.00 0.00 H new ATOM 0 HB2 ASP A 105 7.112 -12.397 0.528 1.00 0.00 H new ATOM 0 HB3 ASP A 105 6.944 -11.239 -0.777 1.00 0.00 H new ATOM 218 N SER A 106 6.534 -8.082 0.984 1.00 0.00 N ATOM 219 CA SER A 106 6.369 -6.758 0.396 1.00 0.00 C ATOM 220 C SER A 106 7.684 -5.985 0.420 1.00 0.00 C ATOM 221 O SER A 106 8.435 -6.046 1.392 1.00 0.00 O ATOM 222 CB SER A 106 5.290 -5.974 1.146 1.00 0.00 C ATOM 223 OG SER A 106 4.686 -5.006 0.306 1.00 0.00 O ATOM 0 H SER A 106 6.016 -8.226 1.851 1.00 0.00 H new ATOM 0 HA SER A 106 6.061 -6.885 -0.642 1.00 0.00 H new ATOM 0 HB2 SER A 106 4.530 -6.661 1.519 1.00 0.00 H new ATOM 0 HB3 SER A 106 5.730 -5.483 2.014 1.00 0.00 H new ATOM 0 HG SER A 106 5.263 -4.216 0.249 1.00 0.00 H new ATOM 229 N ASN A 107 7.956 -5.258 -0.659 1.00 0.00 N ATOM 230 CA ASN A 107 9.180 -4.473 -0.763 1.00 0.00 C ATOM 231 C ASN A 107 8.983 -3.278 -1.691 1.00 0.00 C ATOM 232 O ASN A 107 8.001 -3.208 -2.431 1.00 0.00 O ATOM 233 CB ASN A 107 10.329 -5.346 -1.274 1.00 0.00 C ATOM 234 CG ASN A 107 10.307 -6.739 -0.675 1.00 0.00 C ATOM 235 OD1 ASN A 107 10.507 -6.912 0.527 1.00 0.00 O ATOM 236 ND2 ASN A 107 10.063 -7.739 -1.513 1.00 0.00 N ATOM 0 H ASN A 107 7.345 -5.196 -1.473 1.00 0.00 H new ATOM 0 HA ASN A 107 9.429 -4.101 0.231 1.00 0.00 H new ATOM 0 HB2 ASN A 107 10.271 -5.419 -2.360 1.00 0.00 H new ATOM 0 HB3 ASN A 107 11.279 -4.867 -1.037 1.00 0.00 H new ATOM 0 HD21 ASN A 107 10.036 -8.698 -1.168 1.00 0.00 H new ATOM 0 HD22 ASN A 107 9.903 -7.548 -2.502 1.00 0.00 H new ATOM 243 N CYS A 108 9.924 -2.340 -1.647 1.00 0.00 N ATOM 244 CA CYS A 108 9.855 -1.148 -2.484 1.00 0.00 C ATOM 245 C CYS A 108 9.925 -1.516 -3.963 1.00 0.00 C ATOM 246 O CYS A 108 9.075 -1.109 -4.754 1.00 0.00 O ATOM 247 CB CYS A 108 10.993 -0.187 -2.132 1.00 0.00 C ATOM 248 SG CYS A 108 10.907 1.415 -2.996 1.00 0.00 S ATOM 0 H CYS A 108 10.743 -2.383 -1.041 1.00 0.00 H new ATOM 0 HA CYS A 108 8.901 -0.657 -2.295 1.00 0.00 H new ATOM 0 HB2 CYS A 108 10.984 -0.009 -1.057 1.00 0.00 H new ATOM 0 HB3 CYS A 108 11.944 -0.665 -2.368 1.00 0.00 H new ATOM 253 N GLN A 109 10.943 -2.288 -4.327 1.00 0.00 N ATOM 254 CA GLN A 109 11.124 -2.711 -5.711 1.00 0.00 C ATOM 255 C GLN A 109 9.789 -3.089 -6.343 1.00 0.00 C ATOM 256 O GLN A 109 9.579 -2.890 -7.539 1.00 0.00 O ATOM 257 CB GLN A 109 12.090 -3.895 -5.783 1.00 0.00 C ATOM 258 CG GLN A 109 13.548 -3.483 -5.908 1.00 0.00 C ATOM 259 CD GLN A 109 14.500 -4.654 -5.756 1.00 0.00 C ATOM 260 OE1 GLN A 109 14.170 -5.659 -5.125 1.00 0.00 O ATOM 261 NE2 GLN A 109 15.688 -4.530 -6.334 1.00 0.00 N ATOM 0 H GLN A 109 11.655 -2.633 -3.684 1.00 0.00 H new ATOM 0 HA GLN A 109 11.545 -1.874 -6.268 1.00 0.00 H new ATOM 0 HB2 GLN A 109 11.969 -4.507 -4.889 1.00 0.00 H new ATOM 0 HB3 GLN A 109 11.823 -4.520 -6.635 1.00 0.00 H new ATOM 0 HG2 GLN A 109 13.707 -3.014 -6.879 1.00 0.00 H new ATOM 0 HG3 GLN A 109 13.776 -2.733 -5.150 1.00 0.00 H new ATOM 0 HE21 GLN A 109 15.919 -3.679 -6.847 1.00 0.00 H new ATOM 0 HE22 GLN A 109 16.370 -5.285 -6.265 1.00 0.00 H new ATOM 270 N GLU A 110 8.890 -3.637 -5.532 1.00 0.00 N ATOM 271 CA GLU A 110 7.575 -4.045 -6.014 1.00 0.00 C ATOM 272 C GLU A 110 6.640 -2.844 -6.125 1.00 0.00 C ATOM 273 O GLU A 110 5.930 -2.686 -7.118 1.00 0.00 O ATOM 274 CB GLU A 110 6.967 -5.093 -5.079 1.00 0.00 C ATOM 275 CG GLU A 110 7.323 -6.522 -5.454 1.00 0.00 C ATOM 276 CD GLU A 110 6.344 -7.127 -6.441 1.00 0.00 C ATOM 277 OE1 GLU A 110 5.940 -6.419 -7.387 1.00 0.00 O ATOM 278 OE2 GLU A 110 5.981 -8.310 -6.267 1.00 0.00 O ATOM 0 H GLU A 110 9.048 -3.809 -4.539 1.00 0.00 H new ATOM 0 HA GLU A 110 7.699 -4.481 -7.005 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.304 -4.899 -4.061 1.00 0.00 H new ATOM 0 HB3 GLU A 110 5.882 -4.985 -5.082 1.00 0.00 H new ATOM 0 HG2 GLU A 110 8.325 -6.542 -5.883 1.00 0.00 H new ATOM 0 HG3 GLU A 110 7.350 -7.134 -4.553 1.00 0.00 H new ATOM 285 N VAL A 111 6.646 -2.000 -5.099 1.00 0.00 N ATOM 286 CA VAL A 111 5.799 -0.813 -5.080 1.00 0.00 C ATOM 287 C VAL A 111 6.162 0.139 -6.215 1.00 0.00 C ATOM 288 O VAL A 111 5.300 0.561 -6.986 1.00 0.00 O ATOM 289 CB VAL A 111 5.913 -0.062 -3.740 1.00 0.00 C ATOM 290 CG1 VAL A 111 5.071 1.204 -3.764 1.00 0.00 C ATOM 291 CG2 VAL A 111 5.500 -0.965 -2.588 1.00 0.00 C ATOM 0 H VAL A 111 7.228 -2.116 -4.269 1.00 0.00 H new ATOM 0 HA VAL A 111 4.772 -1.155 -5.210 1.00 0.00 H new ATOM 0 HB VAL A 111 6.954 0.226 -3.592 1.00 0.00 H new ATOM 0 HG11 VAL A 111 5.164 1.721 -2.809 1.00 0.00 H new ATOM 0 HG12 VAL A 111 5.418 1.857 -4.565 1.00 0.00 H new ATOM 0 HG13 VAL A 111 4.027 0.943 -3.935 1.00 0.00 H new ATOM 0 HG21 VAL A 111 5.586 -0.419 -1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 111 4.467 -1.285 -2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 111 6.150 -1.840 -2.560 1.00 0.00 H new ATOM 301 N HIS A 112 7.445 0.472 -6.313 1.00 0.00 N ATOM 302 CA HIS A 112 7.924 1.373 -7.355 1.00 0.00 C ATOM 303 C HIS A 112 7.352 0.984 -8.715 1.00 0.00 C ATOM 304 O HIS A 112 6.722 1.797 -9.391 1.00 0.00 O ATOM 305 CB HIS A 112 9.452 1.360 -7.409 1.00 0.00 C ATOM 306 CG HIS A 112 10.046 2.652 -7.878 1.00 0.00 C ATOM 307 ND1 HIS A 112 11.129 3.249 -7.267 1.00 0.00 N ATOM 308 CD2 HIS A 112 9.704 3.461 -8.908 1.00 0.00 C ATOM 309 CE1 HIS A 112 11.425 4.370 -7.899 1.00 0.00 C ATOM 310 NE2 HIS A 112 10.576 4.522 -8.899 1.00 0.00 N ATOM 0 H HIS A 112 8.172 0.131 -5.683 1.00 0.00 H new ATOM 0 HA HIS A 112 7.586 2.380 -7.112 1.00 0.00 H new ATOM 0 HB2 HIS A 112 9.840 1.130 -6.417 1.00 0.00 H new ATOM 0 HB3 HIS A 112 9.777 0.558 -8.072 1.00 0.00 H new ATOM 0 HD2 HIS A 112 8.896 3.302 -9.607 1.00 0.00 H new ATOM 0 HE1 HIS A 112 12.226 5.048 -7.642 1.00 0.00 H new ATOM 0 HE2 HIS A 112 10.569 5.301 -9.558 1.00 0.00 H new ATOM 319 N ASP A 113 7.577 -0.265 -9.110 1.00 0.00 N ATOM 320 CA ASP A 113 7.084 -0.762 -10.389 1.00 0.00 C ATOM 321 C ASP A 113 5.565 -0.640 -10.471 1.00 0.00 C ATOM 322 O ASP A 113 5.015 -0.293 -11.517 1.00 0.00 O ATOM 323 CB ASP A 113 7.501 -2.220 -10.588 1.00 0.00 C ATOM 324 CG ASP A 113 6.488 -3.195 -10.022 1.00 0.00 C ATOM 325 OD1 ASP A 113 5.348 -3.228 -10.529 1.00 0.00 O ATOM 326 OD2 ASP A 113 6.837 -3.927 -9.072 1.00 0.00 O ATOM 0 H ASP A 113 8.097 -0.951 -8.563 1.00 0.00 H new ATOM 0 HA ASP A 113 7.523 -0.154 -11.180 1.00 0.00 H new ATOM 0 HB2 ASP A 113 7.633 -2.415 -11.652 1.00 0.00 H new ATOM 0 HB3 ASP A 113 8.467 -2.387 -10.111 1.00 0.00 H new ATOM 331 N LEU A 114 4.893 -0.928 -9.362 1.00 0.00 N ATOM 332 CA LEU A 114 3.437 -0.851 -9.308 1.00 0.00 C ATOM 333 C LEU A 114 2.951 0.541 -9.699 1.00 0.00 C ATOM 334 O LEU A 114 2.080 0.687 -10.558 1.00 0.00 O ATOM 335 CB LEU A 114 2.940 -1.202 -7.905 1.00 0.00 C ATOM 336 CG LEU A 114 1.423 -1.217 -7.714 1.00 0.00 C ATOM 337 CD1 LEU A 114 0.781 -2.255 -8.621 1.00 0.00 C ATOM 338 CD2 LEU A 114 1.070 -1.487 -6.259 1.00 0.00 C ATOM 0 H LEU A 114 5.333 -1.217 -8.488 1.00 0.00 H new ATOM 0 HA LEU A 114 3.033 -1.570 -10.020 1.00 0.00 H new ATOM 0 HB2 LEU A 114 3.329 -2.185 -7.639 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.368 -0.488 -7.201 1.00 0.00 H new ATOM 0 HG LEU A 114 1.033 -0.236 -7.985 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.299 -2.251 -8.471 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.004 -2.017 -9.661 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.177 -3.242 -8.382 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.014 -1.494 -6.143 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.473 -2.455 -5.960 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.497 -0.706 -5.630 1.00 0.00 H new ATOM 350 N LEU A 115 3.519 1.561 -9.065 1.00 0.00 N ATOM 351 CA LEU A 115 3.146 2.942 -9.348 1.00 0.00 C ATOM 352 C LEU A 115 4.039 3.537 -10.432 1.00 0.00 C ATOM 353 O LEU A 115 4.492 4.676 -10.323 1.00 0.00 O ATOM 354 CB LEU A 115 3.236 3.786 -8.076 1.00 0.00 C ATOM 355 CG LEU A 115 2.104 3.602 -7.066 1.00 0.00 C ATOM 356 CD1 LEU A 115 2.504 4.158 -5.708 1.00 0.00 C ATOM 357 CD2 LEU A 115 0.830 4.269 -7.564 1.00 0.00 C ATOM 0 H LEU A 115 4.240 1.457 -8.351 1.00 0.00 H new ATOM 0 HA LEU A 115 2.117 2.948 -9.708 1.00 0.00 H new ATOM 0 HB2 LEU A 115 4.179 3.559 -7.579 1.00 0.00 H new ATOM 0 HB3 LEU A 115 3.272 4.837 -8.363 1.00 0.00 H new ATOM 0 HG LEU A 115 1.912 2.535 -6.956 1.00 0.00 H new ATOM 0 HD11 LEU A 115 1.685 4.018 -5.002 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.389 3.634 -5.346 1.00 0.00 H new ATOM 0 HD13 LEU A 115 2.725 5.221 -5.801 1.00 0.00 H new ATOM 0 HD21 LEU A 115 0.035 4.127 -6.832 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.008 5.335 -7.704 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.533 3.823 -8.513 1.00 0.00 H new ATOM 369 N LYS A 116 4.287 2.759 -11.480 1.00 0.00 N ATOM 370 CA LYS A 116 5.123 3.208 -12.587 1.00 0.00 C ATOM 371 C LYS A 116 4.481 4.388 -13.310 1.00 0.00 C ATOM 372 O LYS A 116 5.160 5.348 -13.676 1.00 0.00 O ATOM 373 CB LYS A 116 5.362 2.061 -13.572 1.00 0.00 C ATOM 374 CG LYS A 116 4.092 1.551 -14.230 1.00 0.00 C ATOM 375 CD LYS A 116 4.378 0.393 -15.172 1.00 0.00 C ATOM 376 CE LYS A 116 4.915 0.882 -16.508 1.00 0.00 C ATOM 377 NZ LYS A 116 6.382 1.133 -16.459 1.00 0.00 N ATOM 0 H LYS A 116 3.920 1.813 -11.586 1.00 0.00 H new ATOM 0 HA LYS A 116 6.080 3.532 -12.178 1.00 0.00 H new ATOM 0 HB2 LYS A 116 6.053 2.396 -14.346 1.00 0.00 H new ATOM 0 HB3 LYS A 116 5.846 1.237 -13.047 1.00 0.00 H new ATOM 0 HG2 LYS A 116 3.387 1.231 -13.463 1.00 0.00 H new ATOM 0 HG3 LYS A 116 3.617 2.362 -14.782 1.00 0.00 H new ATOM 0 HD2 LYS A 116 5.101 -0.281 -14.713 1.00 0.00 H new ATOM 0 HD3 LYS A 116 3.465 -0.180 -15.333 1.00 0.00 H new ATOM 0 HE2 LYS A 116 4.699 0.142 -17.279 1.00 0.00 H new ATOM 0 HE3 LYS A 116 4.399 1.799 -16.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 6.563 2.153 -16.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 6.763 0.792 -15.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 6.847 0.630 -17.241 1.00 0.00 H new ATOM 391 N ASP A 117 3.170 4.310 -13.511 1.00 0.00 N ATOM 392 CA ASP A 117 2.436 5.373 -14.187 1.00 0.00 C ATOM 393 C ASP A 117 2.766 6.733 -13.580 1.00 0.00 C ATOM 394 O ASP A 117 2.951 7.716 -14.298 1.00 0.00 O ATOM 395 CB ASP A 117 0.931 5.115 -14.104 1.00 0.00 C ATOM 396 CG ASP A 117 0.456 4.115 -15.141 1.00 0.00 C ATOM 397 OD1 ASP A 117 0.744 4.321 -16.338 1.00 0.00 O ATOM 398 OD2 ASP A 117 -0.204 3.128 -14.755 1.00 0.00 O ATOM 0 H ASP A 117 2.594 3.522 -13.215 1.00 0.00 H new ATOM 0 HA ASP A 117 2.738 5.380 -15.234 1.00 0.00 H new ATOM 0 HB2 ASP A 117 0.683 4.747 -13.108 1.00 0.00 H new ATOM 0 HB3 ASP A 117 0.396 6.055 -14.239 1.00 0.00 H new ATOM 403 N TYR A 118 2.837 6.782 -12.255 1.00 0.00 N ATOM 404 CA TYR A 118 3.141 8.022 -11.551 1.00 0.00 C ATOM 405 C TYR A 118 4.637 8.138 -11.273 1.00 0.00 C ATOM 406 O TYR A 118 5.372 7.153 -11.349 1.00 0.00 O ATOM 407 CB TYR A 118 2.360 8.092 -10.238 1.00 0.00 C ATOM 408 CG TYR A 118 0.888 7.782 -10.391 1.00 0.00 C ATOM 409 CD1 TYR A 118 -0.029 8.788 -10.667 1.00 0.00 C ATOM 410 CD2 TYR A 118 0.416 6.482 -10.262 1.00 0.00 C ATOM 411 CE1 TYR A 118 -1.375 8.509 -10.807 1.00 0.00 C ATOM 412 CE2 TYR A 118 -0.928 6.193 -10.402 1.00 0.00 C ATOM 413 CZ TYR A 118 -1.819 7.210 -10.674 1.00 0.00 C ATOM 414 OH TYR A 118 -3.159 6.928 -10.815 1.00 0.00 O ATOM 0 H TYR A 118 2.688 5.977 -11.646 1.00 0.00 H new ATOM 0 HA TYR A 118 2.843 8.854 -12.188 1.00 0.00 H new ATOM 0 HB2 TYR A 118 2.798 7.392 -9.527 1.00 0.00 H new ATOM 0 HB3 TYR A 118 2.470 9.089 -9.812 1.00 0.00 H new ATOM 0 HD1 TYR A 118 0.316 9.806 -10.774 1.00 0.00 H new ATOM 0 HD2 TYR A 118 1.111 5.684 -10.049 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -2.075 9.303 -11.019 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -1.279 5.177 -10.299 1.00 0.00 H new ATOM 0 HH TYR A 118 -3.280 5.963 -10.933 1.00 0.00 H new ATOM 424 N ASP A 119 5.080 9.348 -10.950 1.00 0.00 N ATOM 425 CA ASP A 119 6.487 9.595 -10.659 1.00 0.00 C ATOM 426 C ASP A 119 6.746 9.552 -9.156 1.00 0.00 C ATOM 427 O ASP A 119 6.288 10.419 -8.411 1.00 0.00 O ATOM 428 CB ASP A 119 6.917 10.949 -11.225 1.00 0.00 C ATOM 429 CG ASP A 119 7.323 10.865 -12.683 1.00 0.00 C ATOM 430 OD1 ASP A 119 8.385 10.274 -12.970 1.00 0.00 O ATOM 431 OD2 ASP A 119 6.579 11.390 -13.538 1.00 0.00 O ATOM 0 H ASP A 119 4.485 10.173 -10.883 1.00 0.00 H new ATOM 0 HA ASP A 119 7.075 8.809 -11.134 1.00 0.00 H new ATOM 0 HB2 ASP A 119 6.098 11.660 -11.120 1.00 0.00 H new ATOM 0 HB3 ASP A 119 7.752 11.335 -10.640 1.00 0.00 H new ATOM 436 N LEU A 120 7.482 8.537 -8.717 1.00 0.00 N ATOM 437 CA LEU A 120 7.802 8.380 -7.302 1.00 0.00 C ATOM 438 C LEU A 120 9.049 9.178 -6.934 1.00 0.00 C ATOM 439 O LEU A 120 10.022 9.213 -7.688 1.00 0.00 O ATOM 440 CB LEU A 120 8.011 6.902 -6.967 1.00 0.00 C ATOM 441 CG LEU A 120 6.746 6.047 -6.889 1.00 0.00 C ATOM 442 CD1 LEU A 120 6.240 5.713 -8.283 1.00 0.00 C ATOM 443 CD2 LEU A 120 7.010 4.775 -6.096 1.00 0.00 C ATOM 0 H LEU A 120 7.868 7.811 -9.320 1.00 0.00 H new ATOM 0 HA LEU A 120 6.963 8.763 -6.720 1.00 0.00 H new ATOM 0 HB2 LEU A 120 8.672 6.470 -7.718 1.00 0.00 H new ATOM 0 HB3 LEU A 120 8.529 6.837 -6.010 1.00 0.00 H new ATOM 0 HG LEU A 120 5.975 6.620 -6.373 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.339 5.104 -8.207 1.00 0.00 H new ATOM 0 HD12 LEU A 120 6.011 6.635 -8.817 1.00 0.00 H new ATOM 0 HD13 LEU A 120 7.007 5.160 -8.826 1.00 0.00 H new ATOM 0 HD21 LEU A 120 6.099 4.179 -6.051 1.00 0.00 H new ATOM 0 HD22 LEU A 120 7.797 4.199 -6.583 1.00 0.00 H new ATOM 0 HD23 LEU A 120 7.324 5.035 -5.085 1.00 0.00 H new ATOM 455 N LYS A 121 9.015 9.816 -5.769 1.00 0.00 N ATOM 456 CA LYS A 121 10.143 10.610 -5.297 1.00 0.00 C ATOM 457 C LYS A 121 10.890 9.886 -4.182 1.00 0.00 C ATOM 458 O LYS A 121 12.117 9.940 -4.107 1.00 0.00 O ATOM 459 CB LYS A 121 9.659 11.974 -4.800 1.00 0.00 C ATOM 460 CG LYS A 121 9.001 12.817 -5.879 1.00 0.00 C ATOM 461 CD LYS A 121 10.015 13.682 -6.608 1.00 0.00 C ATOM 462 CE LYS A 121 10.224 15.012 -5.901 1.00 0.00 C ATOM 463 NZ LYS A 121 11.243 14.911 -4.819 1.00 0.00 N ATOM 0 H LYS A 121 8.217 9.799 -5.134 1.00 0.00 H new ATOM 0 HA LYS A 121 10.828 10.756 -6.132 1.00 0.00 H new ATOM 0 HB2 LYS A 121 8.950 11.824 -3.986 1.00 0.00 H new ATOM 0 HB3 LYS A 121 10.506 12.523 -4.388 1.00 0.00 H new ATOM 0 HG2 LYS A 121 8.497 12.166 -6.593 1.00 0.00 H new ATOM 0 HG3 LYS A 121 8.236 13.451 -5.430 1.00 0.00 H new ATOM 0 HD2 LYS A 121 10.965 13.152 -6.676 1.00 0.00 H new ATOM 0 HD3 LYS A 121 9.676 13.861 -7.628 1.00 0.00 H new ATOM 0 HE2 LYS A 121 10.537 15.763 -6.626 1.00 0.00 H new ATOM 0 HE3 LYS A 121 9.278 15.351 -5.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 11.749 15.816 -4.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 10.772 14.690 -3.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 11.921 14.156 -5.050 1.00 0.00 H new ATOM 477 N TYR A 122 10.142 9.209 -3.318 1.00 0.00 N ATOM 478 CA TYR A 122 10.733 8.474 -2.206 1.00 0.00 C ATOM 479 C TYR A 122 9.828 7.327 -1.768 1.00 0.00 C ATOM 480 O TYR A 122 8.606 7.402 -1.894 1.00 0.00 O ATOM 481 CB TYR A 122 10.992 9.414 -1.027 1.00 0.00 C ATOM 482 CG TYR A 122 12.008 8.884 -0.042 1.00 0.00 C ATOM 483 CD1 TYR A 122 11.642 7.972 0.941 1.00 0.00 C ATOM 484 CD2 TYR A 122 13.334 9.294 -0.092 1.00 0.00 C ATOM 485 CE1 TYR A 122 12.567 7.485 1.844 1.00 0.00 C ATOM 486 CE2 TYR A 122 14.266 8.812 0.806 1.00 0.00 C ATOM 487 CZ TYR A 122 13.878 7.908 1.772 1.00 0.00 C ATOM 488 OH TYR A 122 14.803 7.425 2.670 1.00 0.00 O ATOM 0 H TYR A 122 9.125 9.154 -3.366 1.00 0.00 H new ATOM 0 HA TYR A 122 11.681 8.055 -2.543 1.00 0.00 H new ATOM 0 HB2 TYR A 122 11.336 10.375 -1.409 1.00 0.00 H new ATOM 0 HB3 TYR A 122 10.053 9.596 -0.505 1.00 0.00 H new ATOM 0 HD1 TYR A 122 10.617 7.638 1.000 1.00 0.00 H new ATOM 0 HD2 TYR A 122 13.642 10.003 -0.847 1.00 0.00 H new ATOM 0 HE1 TYR A 122 12.266 6.777 2.602 1.00 0.00 H new ATOM 0 HE2 TYR A 122 15.293 9.141 0.752 1.00 0.00 H new ATOM 0 HH TYR A 122 15.679 7.821 2.482 1.00 0.00 H new ATOM 498 N CYS A 123 10.438 6.265 -1.252 1.00 0.00 N ATOM 499 CA CYS A 123 9.690 5.101 -0.793 1.00 0.00 C ATOM 500 C CYS A 123 10.288 4.543 0.495 1.00 0.00 C ATOM 501 O CYS A 123 11.493 4.304 0.581 1.00 0.00 O ATOM 502 CB CYS A 123 9.680 4.018 -1.874 1.00 0.00 C ATOM 503 SG CYS A 123 11.107 2.889 -1.809 1.00 0.00 S ATOM 0 H CYS A 123 11.449 6.187 -1.141 1.00 0.00 H new ATOM 0 HA CYS A 123 8.666 5.414 -0.591 1.00 0.00 H new ATOM 0 HB2 CYS A 123 8.764 3.434 -1.780 1.00 0.00 H new ATOM 0 HB3 CYS A 123 9.654 4.497 -2.853 1.00 0.00 H new ATOM 508 N TYR A 124 9.437 4.338 1.495 1.00 0.00 N ATOM 509 CA TYR A 124 9.881 3.810 2.780 1.00 0.00 C ATOM 510 C TYR A 124 8.995 2.652 3.228 1.00 0.00 C ATOM 511 O TYR A 124 7.910 2.859 3.772 1.00 0.00 O ATOM 512 CB TYR A 124 9.871 4.914 3.838 1.00 0.00 C ATOM 513 CG TYR A 124 10.717 4.597 5.051 1.00 0.00 C ATOM 514 CD1 TYR A 124 10.384 3.549 5.900 1.00 0.00 C ATOM 515 CD2 TYR A 124 11.849 5.346 5.348 1.00 0.00 C ATOM 516 CE1 TYR A 124 11.153 3.256 7.009 1.00 0.00 C ATOM 517 CE2 TYR A 124 12.625 5.060 6.454 1.00 0.00 C ATOM 518 CZ TYR A 124 12.273 4.014 7.282 1.00 0.00 C ATOM 519 OH TYR A 124 13.043 3.725 8.386 1.00 0.00 O ATOM 0 H TYR A 124 8.437 4.529 1.440 1.00 0.00 H new ATOM 0 HA TYR A 124 10.899 3.439 2.661 1.00 0.00 H new ATOM 0 HB2 TYR A 124 10.228 5.840 3.388 1.00 0.00 H new ATOM 0 HB3 TYR A 124 8.844 5.090 4.158 1.00 0.00 H new ATOM 0 HD1 TYR A 124 9.508 2.953 5.689 1.00 0.00 H new ATOM 0 HD2 TYR A 124 12.127 6.166 4.703 1.00 0.00 H new ATOM 0 HE1 TYR A 124 10.879 2.438 7.659 1.00 0.00 H new ATOM 0 HE2 TYR A 124 13.502 5.652 6.670 1.00 0.00 H new ATOM 0 HH TYR A 124 13.795 4.352 8.434 1.00 0.00 H new ATOM 529 N VAL A 125 9.467 1.431 2.997 1.00 0.00 N ATOM 530 CA VAL A 125 8.720 0.238 3.378 1.00 0.00 C ATOM 531 C VAL A 125 8.950 -0.110 4.844 1.00 0.00 C ATOM 532 O VAL A 125 10.090 -0.193 5.301 1.00 0.00 O ATOM 533 CB VAL A 125 9.111 -0.971 2.507 1.00 0.00 C ATOM 534 CG1 VAL A 125 8.360 -2.216 2.954 1.00 0.00 C ATOM 535 CG2 VAL A 125 8.846 -0.677 1.038 1.00 0.00 C ATOM 0 H VAL A 125 10.363 1.242 2.548 1.00 0.00 H new ATOM 0 HA VAL A 125 7.665 0.462 3.222 1.00 0.00 H new ATOM 0 HB VAL A 125 10.178 -1.156 2.630 1.00 0.00 H new ATOM 0 HG11 VAL A 125 8.649 -3.060 2.327 1.00 0.00 H new ATOM 0 HG12 VAL A 125 8.605 -2.435 3.993 1.00 0.00 H new ATOM 0 HG13 VAL A 125 7.287 -2.046 2.862 1.00 0.00 H new ATOM 0 HG21 VAL A 125 9.128 -1.542 0.437 1.00 0.00 H new ATOM 0 HG22 VAL A 125 7.786 -0.465 0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 125 9.434 0.187 0.728 1.00 0.00 H new ATOM 545 N ASP A 126 7.860 -0.311 5.577 1.00 0.00 N ATOM 546 CA ASP A 126 7.943 -0.652 6.992 1.00 0.00 C ATOM 547 C ASP A 126 7.291 -2.004 7.265 1.00 0.00 C ATOM 548 O ASP A 126 6.100 -2.080 7.565 1.00 0.00 O ATOM 549 CB ASP A 126 7.273 0.431 7.839 1.00 0.00 C ATOM 550 CG ASP A 126 7.893 0.555 9.217 1.00 0.00 C ATOM 551 OD1 ASP A 126 9.094 0.242 9.358 1.00 0.00 O ATOM 552 OD2 ASP A 126 7.177 0.965 10.154 1.00 0.00 O ATOM 0 H ASP A 126 6.909 -0.244 5.214 1.00 0.00 H new ATOM 0 HA ASP A 126 8.997 -0.716 7.264 1.00 0.00 H new ATOM 0 HB2 ASP A 126 7.346 1.389 7.323 1.00 0.00 H new ATOM 0 HB3 ASP A 126 6.212 0.204 7.940 1.00 0.00 H new ATOM 557 N ARG A 127 8.080 -3.068 7.157 1.00 0.00 N ATOM 558 CA ARG A 127 7.579 -4.417 7.390 1.00 0.00 C ATOM 559 C ARG A 127 6.918 -4.523 8.761 1.00 0.00 C ATOM 560 O ARG A 127 5.809 -5.039 8.888 1.00 0.00 O ATOM 561 CB ARG A 127 8.718 -5.433 7.281 1.00 0.00 C ATOM 562 CG ARG A 127 9.262 -5.589 5.870 1.00 0.00 C ATOM 563 CD ARG A 127 10.486 -6.490 5.842 1.00 0.00 C ATOM 564 NE ARG A 127 11.718 -5.749 6.099 1.00 0.00 N ATOM 565 CZ ARG A 127 12.185 -4.799 5.296 1.00 0.00 C ATOM 566 NH1 ARG A 127 11.526 -4.477 4.192 1.00 0.00 N ATOM 567 NH2 ARG A 127 13.313 -4.170 5.598 1.00 0.00 N ATOM 0 H ARG A 127 9.068 -3.022 6.910 1.00 0.00 H new ATOM 0 HA ARG A 127 6.831 -4.636 6.628 1.00 0.00 H new ATOM 0 HB2 ARG A 127 9.529 -5.129 7.943 1.00 0.00 H new ATOM 0 HB3 ARG A 127 8.365 -6.402 7.634 1.00 0.00 H new ATOM 0 HG2 ARG A 127 8.488 -6.004 5.224 1.00 0.00 H new ATOM 0 HG3 ARG A 127 9.521 -4.609 5.468 1.00 0.00 H new ATOM 0 HD2 ARG A 127 10.374 -7.277 6.588 1.00 0.00 H new ATOM 0 HD3 ARG A 127 10.554 -6.979 4.870 1.00 0.00 H new ATOM 0 HE ARG A 127 12.249 -5.973 6.941 1.00 0.00 H new ATOM 0 HH11 ARG A 127 10.658 -4.959 3.957 1.00 0.00 H new ATOM 0 HH12 ARG A 127 11.887 -3.747 3.577 1.00 0.00 H new ATOM 0 HH21 ARG A 127 13.822 -4.416 6.447 1.00 0.00 H new ATOM 0 HH22 ARG A 127 13.671 -3.441 4.981 1.00 0.00 H new ATOM 581 N ASN A 128 7.609 -4.030 9.784 1.00 0.00 N ATOM 582 CA ASN A 128 7.090 -4.070 11.147 1.00 0.00 C ATOM 583 C ASN A 128 5.622 -3.653 11.182 1.00 0.00 C ATOM 584 O ASN A 128 4.796 -4.301 11.825 1.00 0.00 O ATOM 585 CB ASN A 128 7.913 -3.155 12.056 1.00 0.00 C ATOM 586 CG ASN A 128 7.900 -3.613 13.501 1.00 0.00 C ATOM 587 OD1 ASN A 128 8.951 -3.789 14.118 1.00 0.00 O ATOM 588 ND2 ASN A 128 6.706 -3.808 14.049 1.00 0.00 N ATOM 0 H ASN A 128 8.529 -3.598 9.695 1.00 0.00 H new ATOM 0 HA ASN A 128 7.168 -5.095 11.509 1.00 0.00 H new ATOM 0 HB2 ASN A 128 8.942 -3.121 11.698 1.00 0.00 H new ATOM 0 HB3 ASN A 128 7.521 -2.140 11.996 1.00 0.00 H new ATOM 0 HD21 ASN A 128 6.634 -4.116 15.019 1.00 0.00 H new ATOM 0 HD22 ASN A 128 5.861 -3.650 13.500 1.00 0.00 H new ATOM 595 N LYS A 129 5.304 -2.567 10.486 1.00 0.00 N ATOM 596 CA LYS A 129 3.937 -2.063 10.435 1.00 0.00 C ATOM 597 C LYS A 129 3.328 -2.281 9.054 1.00 0.00 C ATOM 598 O LYS A 129 2.292 -1.704 8.724 1.00 0.00 O ATOM 599 CB LYS A 129 3.907 -0.575 10.789 1.00 0.00 C ATOM 600 CG LYS A 129 3.820 -0.305 12.281 1.00 0.00 C ATOM 601 CD LYS A 129 3.323 1.102 12.566 1.00 0.00 C ATOM 602 CE LYS A 129 4.439 2.126 12.427 1.00 0.00 C ATOM 603 NZ LYS A 129 4.569 2.619 11.028 1.00 0.00 N ATOM 0 H LYS A 129 5.975 -2.018 9.949 1.00 0.00 H new ATOM 0 HA LYS A 129 3.345 -2.615 11.165 1.00 0.00 H new ATOM 0 HB2 LYS A 129 4.804 -0.098 10.394 1.00 0.00 H new ATOM 0 HB3 LYS A 129 3.055 -0.110 10.294 1.00 0.00 H new ATOM 0 HG2 LYS A 129 3.150 -1.029 12.744 1.00 0.00 H new ATOM 0 HG3 LYS A 129 4.801 -0.444 12.734 1.00 0.00 H new ATOM 0 HD2 LYS A 129 2.513 1.349 11.879 1.00 0.00 H new ATOM 0 HD3 LYS A 129 2.911 1.146 13.574 1.00 0.00 H new ATOM 0 HE2 LYS A 129 4.244 2.968 13.092 1.00 0.00 H new ATOM 0 HE3 LYS A 129 5.382 1.681 12.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 4.673 3.654 11.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 5.406 2.189 10.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 3.719 2.359 10.488 1.00 0.00 H new ATOM 617 N ARG A 130 3.978 -3.117 8.251 1.00 0.00 N ATOM 618 CA ARG A 130 3.500 -3.411 6.905 1.00 0.00 C ATOM 619 C ARG A 130 2.928 -2.159 6.246 1.00 0.00 C ATOM 620 O ARG A 130 1.792 -2.158 5.770 1.00 0.00 O ATOM 621 CB ARG A 130 2.435 -4.509 6.948 1.00 0.00 C ATOM 622 CG ARG A 130 3.011 -5.913 7.045 1.00 0.00 C ATOM 623 CD ARG A 130 1.919 -6.950 7.252 1.00 0.00 C ATOM 624 NE ARG A 130 1.173 -6.721 8.486 1.00 0.00 N ATOM 625 CZ ARG A 130 1.608 -7.087 9.687 1.00 0.00 C ATOM 626 NH1 ARG A 130 2.779 -7.696 9.814 1.00 0.00 N ATOM 627 NH2 ARG A 130 0.871 -6.844 10.763 1.00 0.00 N ATOM 0 H ARG A 130 4.837 -3.603 8.509 1.00 0.00 H new ATOM 0 HA ARG A 130 4.347 -3.758 6.313 1.00 0.00 H new ATOM 0 HB2 ARG A 130 1.780 -4.335 7.801 1.00 0.00 H new ATOM 0 HB3 ARG A 130 1.818 -4.440 6.052 1.00 0.00 H new ATOM 0 HG2 ARG A 130 3.565 -6.144 6.135 1.00 0.00 H new ATOM 0 HG3 ARG A 130 3.720 -5.960 7.871 1.00 0.00 H new ATOM 0 HD2 ARG A 130 1.233 -6.928 6.405 1.00 0.00 H new ATOM 0 HD3 ARG A 130 2.364 -7.945 7.277 1.00 0.00 H new ATOM 0 HE ARG A 130 0.268 -6.254 8.423 1.00 0.00 H new ATOM 0 HH11 ARG A 130 3.348 -7.884 8.989 1.00 0.00 H new ATOM 0 HH12 ARG A 130 3.111 -7.976 10.737 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -0.030 -6.376 10.669 1.00 0.00 H new ATOM 0 HH22 ARG A 130 1.206 -7.125 11.685 1.00 0.00 H new ATOM 641 N THR A 131 3.724 -1.094 6.221 1.00 0.00 N ATOM 642 CA THR A 131 3.297 0.164 5.622 1.00 0.00 C ATOM 643 C THR A 131 4.419 0.791 4.802 1.00 0.00 C ATOM 644 O THR A 131 5.550 0.913 5.272 1.00 0.00 O ATOM 645 CB THR A 131 2.837 1.169 6.695 1.00 0.00 C ATOM 646 OG1 THR A 131 1.850 0.567 7.539 1.00 0.00 O ATOM 647 CG2 THR A 131 2.265 2.423 6.051 1.00 0.00 C ATOM 0 H THR A 131 4.667 -1.078 6.609 1.00 0.00 H new ATOM 0 HA THR A 131 2.457 -0.067 4.967 1.00 0.00 H new ATOM 0 HB THR A 131 3.703 1.450 7.294 1.00 0.00 H new ATOM 0 HG1 THR A 131 2.289 -0.024 8.185 1.00 0.00 H new ATOM 0 HG21 THR A 131 1.947 3.118 6.828 1.00 0.00 H new ATOM 0 HG22 THR A 131 3.028 2.895 5.432 1.00 0.00 H new ATOM 0 HG23 THR A 131 1.409 2.156 5.431 1.00 0.00 H new ATOM 655 N ALA A 132 4.099 1.188 3.575 1.00 0.00 N ATOM 656 CA ALA A 132 5.080 1.805 2.691 1.00 0.00 C ATOM 657 C ALA A 132 4.649 3.211 2.289 1.00 0.00 C ATOM 658 O ALA A 132 3.647 3.389 1.595 1.00 0.00 O ATOM 659 CB ALA A 132 5.294 0.942 1.456 1.00 0.00 C ATOM 0 H ALA A 132 3.168 1.093 3.170 1.00 0.00 H new ATOM 0 HA ALA A 132 6.022 1.884 3.233 1.00 0.00 H new ATOM 0 HB1 ALA A 132 6.029 1.415 0.805 1.00 0.00 H new ATOM 0 HB2 ALA A 132 5.655 -0.041 1.757 1.00 0.00 H new ATOM 0 HB3 ALA A 132 4.351 0.833 0.920 1.00 0.00 H new ATOM 665 N PHE A 133 5.410 4.207 2.729 1.00 0.00 N ATOM 666 CA PHE A 133 5.105 5.598 2.416 1.00 0.00 C ATOM 667 C PHE A 133 5.680 5.989 1.057 1.00 0.00 C ATOM 668 O PHE A 133 6.893 5.963 0.854 1.00 0.00 O ATOM 669 CB PHE A 133 5.661 6.521 3.502 1.00 0.00 C ATOM 670 CG PHE A 133 5.303 6.091 4.896 1.00 0.00 C ATOM 671 CD1 PHE A 133 4.076 6.427 5.445 1.00 0.00 C ATOM 672 CD2 PHE A 133 6.194 5.351 5.657 1.00 0.00 C ATOM 673 CE1 PHE A 133 3.743 6.032 6.727 1.00 0.00 C ATOM 674 CE2 PHE A 133 5.866 4.953 6.939 1.00 0.00 C ATOM 675 CZ PHE A 133 4.640 5.295 7.476 1.00 0.00 C ATOM 0 H PHE A 133 6.243 4.077 3.304 1.00 0.00 H new ATOM 0 HA PHE A 133 4.021 5.706 2.377 1.00 0.00 H new ATOM 0 HB2 PHE A 133 6.746 6.563 3.411 1.00 0.00 H new ATOM 0 HB3 PHE A 133 5.288 7.531 3.335 1.00 0.00 H new ATOM 0 HD1 PHE A 133 3.372 7.004 4.864 1.00 0.00 H new ATOM 0 HD2 PHE A 133 7.155 5.083 5.244 1.00 0.00 H new ATOM 0 HE1 PHE A 133 2.783 6.299 7.143 1.00 0.00 H new ATOM 0 HE2 PHE A 133 6.568 4.375 7.521 1.00 0.00 H new ATOM 0 HZ PHE A 133 4.383 4.987 8.479 1.00 0.00 H new ATOM 685 N VAL A 134 4.798 6.350 0.130 1.00 0.00 N ATOM 686 CA VAL A 134 5.216 6.746 -1.209 1.00 0.00 C ATOM 687 C VAL A 134 4.931 8.222 -1.460 1.00 0.00 C ATOM 688 O VAL A 134 3.859 8.726 -1.120 1.00 0.00 O ATOM 689 CB VAL A 134 4.509 5.907 -2.289 1.00 0.00 C ATOM 690 CG1 VAL A 134 4.909 6.378 -3.679 1.00 0.00 C ATOM 691 CG2 VAL A 134 4.824 4.430 -2.107 1.00 0.00 C ATOM 0 H VAL A 134 3.790 6.376 0.282 1.00 0.00 H new ATOM 0 HA VAL A 134 6.290 6.571 -1.269 1.00 0.00 H new ATOM 0 HB VAL A 134 3.433 6.042 -2.182 1.00 0.00 H new ATOM 0 HG11 VAL A 134 4.399 5.773 -4.429 1.00 0.00 H new ATOM 0 HG12 VAL A 134 4.628 7.424 -3.804 1.00 0.00 H new ATOM 0 HG13 VAL A 134 5.987 6.275 -3.802 1.00 0.00 H new ATOM 0 HG21 VAL A 134 4.316 3.852 -2.879 1.00 0.00 H new ATOM 0 HG22 VAL A 134 5.900 4.275 -2.186 1.00 0.00 H new ATOM 0 HG23 VAL A 134 4.482 4.103 -1.125 1.00 0.00 H new ATOM 701 N THR A 135 5.896 8.913 -2.058 1.00 0.00 N ATOM 702 CA THR A 135 5.749 10.333 -2.355 1.00 0.00 C ATOM 703 C THR A 135 5.629 10.571 -3.855 1.00 0.00 C ATOM 704 O THR A 135 6.630 10.595 -4.573 1.00 0.00 O ATOM 705 CB THR A 135 6.938 11.146 -1.810 1.00 0.00 C ATOM 706 OG1 THR A 135 7.016 11.007 -0.387 1.00 0.00 O ATOM 707 CG2 THR A 135 6.800 12.617 -2.174 1.00 0.00 C ATOM 0 H THR A 135 6.789 8.512 -2.347 1.00 0.00 H new ATOM 0 HA THR A 135 4.835 10.666 -1.864 1.00 0.00 H new ATOM 0 HB THR A 135 7.851 10.760 -2.263 1.00 0.00 H new ATOM 0 HG1 THR A 135 7.776 11.526 -0.049 1.00 0.00 H new ATOM 0 HG21 THR A 135 7.651 13.171 -1.778 1.00 0.00 H new ATOM 0 HG22 THR A 135 6.771 12.722 -3.259 1.00 0.00 H new ATOM 0 HG23 THR A 135 5.879 13.013 -1.746 1.00 0.00 H new ATOM 715 N LEU A 136 4.399 10.749 -4.325 1.00 0.00 N ATOM 716 CA LEU A 136 4.149 10.987 -5.742 1.00 0.00 C ATOM 717 C LEU A 136 4.617 12.380 -6.152 1.00 0.00 C ATOM 718 O LEU A 136 5.158 13.129 -5.337 1.00 0.00 O ATOM 719 CB LEU A 136 2.659 10.826 -6.051 1.00 0.00 C ATOM 720 CG LEU A 136 2.076 9.428 -5.838 1.00 0.00 C ATOM 721 CD1 LEU A 136 0.557 9.470 -5.890 1.00 0.00 C ATOM 722 CD2 LEU A 136 2.621 8.460 -6.877 1.00 0.00 C ATOM 0 H LEU A 136 3.560 10.733 -3.746 1.00 0.00 H new ATOM 0 HA LEU A 136 4.715 10.251 -6.314 1.00 0.00 H new ATOM 0 HB2 LEU A 136 2.102 11.528 -5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 136 2.491 11.114 -7.089 1.00 0.00 H new ATOM 0 HG LEU A 136 2.375 9.076 -4.851 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.160 8.467 -5.737 1.00 0.00 H new ATOM 0 HD12 LEU A 136 0.184 10.131 -5.108 1.00 0.00 H new ATOM 0 HD13 LEU A 136 0.236 9.842 -6.863 1.00 0.00 H new ATOM 0 HD21 LEU A 136 2.196 7.470 -6.711 1.00 0.00 H new ATOM 0 HD22 LEU A 136 2.352 8.807 -7.874 1.00 0.00 H new ATOM 0 HD23 LEU A 136 3.706 8.408 -6.792 1.00 0.00 H new ATOM 734 N LEU A 137 4.403 12.722 -7.417 1.00 0.00 N ATOM 735 CA LEU A 137 4.801 14.026 -7.935 1.00 0.00 C ATOM 736 C LEU A 137 3.815 15.107 -7.504 1.00 0.00 C ATOM 737 O LEU A 137 4.169 16.026 -6.767 1.00 0.00 O ATOM 738 CB LEU A 137 4.895 13.984 -9.461 1.00 0.00 C ATOM 739 CG LEU A 137 5.255 15.302 -10.148 1.00 0.00 C ATOM 740 CD1 LEU A 137 6.755 15.546 -10.084 1.00 0.00 C ATOM 741 CD2 LEU A 137 4.775 15.299 -11.592 1.00 0.00 C ATOM 0 H LEU A 137 3.956 12.114 -8.103 1.00 0.00 H new ATOM 0 HA LEU A 137 5.781 14.269 -7.524 1.00 0.00 H new ATOM 0 HB2 LEU A 137 5.639 13.238 -9.739 1.00 0.00 H new ATOM 0 HB3 LEU A 137 3.938 13.642 -9.855 1.00 0.00 H new ATOM 0 HG LEU A 137 4.753 16.113 -9.620 1.00 0.00 H new ATOM 0 HD11 LEU A 137 6.992 16.488 -10.578 1.00 0.00 H new ATOM 0 HD12 LEU A 137 7.072 15.593 -9.042 1.00 0.00 H new ATOM 0 HD13 LEU A 137 7.278 14.732 -10.586 1.00 0.00 H new ATOM 0 HD21 LEU A 137 5.040 16.245 -12.065 1.00 0.00 H new ATOM 0 HD22 LEU A 137 5.248 14.478 -12.131 1.00 0.00 H new ATOM 0 HD23 LEU A 137 3.693 15.172 -11.615 1.00 0.00 H new ATOM 753 N ASN A 138 2.575 14.988 -7.969 1.00 0.00 N ATOM 754 CA ASN A 138 1.537 15.954 -7.630 1.00 0.00 C ATOM 755 C ASN A 138 0.427 15.297 -6.814 1.00 0.00 C ATOM 756 O ASN A 138 0.336 14.072 -6.744 1.00 0.00 O ATOM 757 CB ASN A 138 0.952 16.572 -8.902 1.00 0.00 C ATOM 758 CG ASN A 138 2.019 17.173 -9.796 1.00 0.00 C ATOM 759 OD1 ASN A 138 2.972 17.787 -9.318 1.00 0.00 O ATOM 760 ND2 ASN A 138 1.862 16.997 -11.103 1.00 0.00 N ATOM 0 H ASN A 138 2.265 14.233 -8.581 1.00 0.00 H new ATOM 0 HA ASN A 138 1.990 16.740 -7.026 1.00 0.00 H new ATOM 0 HB2 ASN A 138 0.406 15.808 -9.456 1.00 0.00 H new ATOM 0 HB3 ASN A 138 0.233 17.344 -8.630 1.00 0.00 H new ATOM 0 HD21 ASN A 138 2.548 17.378 -11.755 1.00 0.00 H new ATOM 0 HD22 ASN A 138 1.056 16.481 -11.455 1.00 0.00 H new ATOM 767 N GLY A 139 -0.415 16.122 -6.198 1.00 0.00 N ATOM 768 CA GLY A 139 -1.507 15.603 -5.396 1.00 0.00 C ATOM 769 C GLY A 139 -2.583 14.946 -6.237 1.00 0.00 C ATOM 770 O GLY A 139 -2.994 13.820 -5.960 1.00 0.00 O ATOM 0 H GLY A 139 -0.360 17.140 -6.240 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -1.116 14.879 -4.681 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -1.947 16.416 -4.818 1.00 0.00 H new ATOM 774 N GLU A 140 -3.042 15.652 -7.265 1.00 0.00 N ATOM 775 CA GLU A 140 -4.080 15.131 -8.147 1.00 0.00 C ATOM 776 C GLU A 140 -3.810 13.671 -8.501 1.00 0.00 C ATOM 777 O GLU A 140 -4.716 12.838 -8.476 1.00 0.00 O ATOM 778 CB GLU A 140 -4.164 15.969 -9.424 1.00 0.00 C ATOM 779 CG GLU A 140 -5.150 15.427 -10.445 1.00 0.00 C ATOM 780 CD GLU A 140 -4.855 15.906 -11.853 1.00 0.00 C ATOM 781 OE1 GLU A 140 -3.683 15.819 -12.275 1.00 0.00 O ATOM 782 OE2 GLU A 140 -5.795 16.368 -12.532 1.00 0.00 O ATOM 0 H GLU A 140 -2.712 16.586 -7.508 1.00 0.00 H new ATOM 0 HA GLU A 140 -5.032 15.190 -7.620 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -4.449 16.988 -9.162 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -3.175 16.022 -9.879 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -5.127 14.337 -10.424 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -6.159 15.730 -10.166 1.00 0.00 H new ATOM 789 N GLN A 141 -2.558 13.370 -8.831 1.00 0.00 N ATOM 790 CA GLN A 141 -2.169 12.012 -9.192 1.00 0.00 C ATOM 791 C GLN A 141 -2.590 11.020 -8.112 1.00 0.00 C ATOM 792 O GLN A 141 -3.162 9.971 -8.408 1.00 0.00 O ATOM 793 CB GLN A 141 -0.657 11.933 -9.411 1.00 0.00 C ATOM 794 CG GLN A 141 -0.228 12.295 -10.824 1.00 0.00 C ATOM 795 CD GLN A 141 1.279 12.315 -10.988 1.00 0.00 C ATOM 796 OE1 GLN A 141 2.019 12.471 -10.017 1.00 0.00 O ATOM 797 NE2 GLN A 141 1.742 12.158 -12.223 1.00 0.00 N ATOM 0 H GLN A 141 -1.796 14.048 -8.856 1.00 0.00 H new ATOM 0 HA GLN A 141 -2.678 11.750 -10.120 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -0.161 12.601 -8.707 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -0.318 10.922 -9.185 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -0.657 11.579 -11.525 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -0.631 13.274 -11.083 1.00 0.00 H new ATOM 0 HE21 GLN A 141 1.092 12.032 -12.999 1.00 0.00 H new ATOM 0 HE22 GLN A 141 2.747 12.164 -12.395 1.00 0.00 H new ATOM 806 N ALA A 142 -2.304 11.360 -6.860 1.00 0.00 N ATOM 807 CA ALA A 142 -2.655 10.500 -5.736 1.00 0.00 C ATOM 808 C ALA A 142 -4.167 10.332 -5.625 1.00 0.00 C ATOM 809 O ALA A 142 -4.679 9.214 -5.664 1.00 0.00 O ATOM 810 CB ALA A 142 -2.088 11.066 -4.442 1.00 0.00 C ATOM 0 H ALA A 142 -1.830 12.225 -6.598 1.00 0.00 H new ATOM 0 HA ALA A 142 -2.219 9.517 -5.912 1.00 0.00 H new ATOM 0 HB1 ALA A 142 -2.357 10.414 -3.611 1.00 0.00 H new ATOM 0 HB2 ALA A 142 -1.002 11.128 -4.517 1.00 0.00 H new ATOM 0 HB3 ALA A 142 -2.498 12.061 -4.270 1.00 0.00 H new ATOM 816 N GLN A 143 -4.873 11.449 -5.485 1.00 0.00 N ATOM 817 CA GLN A 143 -6.326 11.423 -5.367 1.00 0.00 C ATOM 818 C GLN A 143 -6.923 10.312 -6.224 1.00 0.00 C ATOM 819 O GLN A 143 -7.947 9.727 -5.875 1.00 0.00 O ATOM 820 CB GLN A 143 -6.917 12.773 -5.778 1.00 0.00 C ATOM 821 CG GLN A 143 -6.412 13.938 -4.941 1.00 0.00 C ATOM 822 CD GLN A 143 -7.142 14.065 -3.618 1.00 0.00 C ATOM 823 OE1 GLN A 143 -8.062 14.872 -3.478 1.00 0.00 O ATOM 824 NE2 GLN A 143 -6.736 13.266 -2.639 1.00 0.00 N ATOM 0 H GLN A 143 -4.463 12.382 -5.451 1.00 0.00 H new ATOM 0 HA GLN A 143 -6.576 11.227 -4.324 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -6.681 12.960 -6.826 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -8.003 12.724 -5.700 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -5.346 13.810 -4.753 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -6.527 14.863 -5.506 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -5.970 12.612 -2.799 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -7.190 13.306 -1.727 1.00 0.00 H new ATOM 833 N ASN A 144 -6.274 10.026 -7.349 1.00 0.00 N ATOM 834 CA ASN A 144 -6.742 8.985 -8.257 1.00 0.00 C ATOM 835 C ASN A 144 -6.024 7.666 -7.987 1.00 0.00 C ATOM 836 O ASN A 144 -6.659 6.646 -7.717 1.00 0.00 O ATOM 837 CB ASN A 144 -6.522 9.410 -9.710 1.00 0.00 C ATOM 838 CG ASN A 144 -7.431 10.552 -10.122 1.00 0.00 C ATOM 839 OD1 ASN A 144 -8.274 10.401 -11.007 1.00 0.00 O ATOM 840 ND2 ASN A 144 -7.262 11.703 -9.481 1.00 0.00 N ATOM 0 H ASN A 144 -5.424 10.500 -7.653 1.00 0.00 H new ATOM 0 HA ASN A 144 -7.809 8.840 -8.086 1.00 0.00 H new ATOM 0 HB2 ASN A 144 -5.483 9.710 -9.845 1.00 0.00 H new ATOM 0 HB3 ASN A 144 -6.695 8.557 -10.366 1.00 0.00 H new ATOM 0 HD21 ASN A 144 -7.843 12.508 -9.716 1.00 0.00 H new ATOM 0 HD22 ASN A 144 -6.551 11.782 -8.754 1.00 0.00 H new ATOM 847 N ALA A 145 -4.698 7.694 -8.062 1.00 0.00 N ATOM 848 CA ALA A 145 -3.894 6.501 -7.823 1.00 0.00 C ATOM 849 C ALA A 145 -4.409 5.724 -6.617 1.00 0.00 C ATOM 850 O ALA A 145 -4.364 4.494 -6.594 1.00 0.00 O ATOM 851 CB ALA A 145 -2.434 6.880 -7.625 1.00 0.00 C ATOM 0 H ALA A 145 -4.157 8.529 -8.286 1.00 0.00 H new ATOM 0 HA ALA A 145 -3.975 5.857 -8.698 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -1.845 5.980 -7.448 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -2.065 7.385 -8.518 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -2.344 7.547 -6.768 1.00 0.00 H new ATOM 857 N ILE A 146 -4.899 6.449 -5.617 1.00 0.00 N ATOM 858 CA ILE A 146 -5.423 5.826 -4.408 1.00 0.00 C ATOM 859 C ILE A 146 -6.479 4.778 -4.743 1.00 0.00 C ATOM 860 O ILE A 146 -6.263 3.582 -4.550 1.00 0.00 O ATOM 861 CB ILE A 146 -6.036 6.871 -3.457 1.00 0.00 C ATOM 862 CG1 ILE A 146 -4.965 7.859 -2.991 1.00 0.00 C ATOM 863 CG2 ILE A 146 -6.686 6.185 -2.265 1.00 0.00 C ATOM 864 CD1 ILE A 146 -5.529 9.169 -2.486 1.00 0.00 C ATOM 0 H ILE A 146 -4.944 7.468 -5.620 1.00 0.00 H new ATOM 0 HA ILE A 146 -4.581 5.344 -3.911 1.00 0.00 H new ATOM 0 HB ILE A 146 -6.804 7.425 -3.996 1.00 0.00 H new ATOM 0 HG12 ILE A 146 -4.376 7.397 -2.199 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -4.284 8.061 -3.818 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -7.115 6.936 -1.602 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -7.474 5.518 -2.614 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -5.936 5.609 -1.723 1.00 0.00 H new ATOM 0 HD11 ILE A 146 -4.713 9.820 -2.173 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -6.094 9.653 -3.283 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -6.187 8.979 -1.638 1.00 0.00 H new ATOM 876 N GLN A 147 -7.621 5.237 -5.247 1.00 0.00 N ATOM 877 CA GLN A 147 -8.710 4.338 -5.610 1.00 0.00 C ATOM 878 C GLN A 147 -8.318 3.457 -6.791 1.00 0.00 C ATOM 879 O GLN A 147 -8.619 2.264 -6.814 1.00 0.00 O ATOM 880 CB GLN A 147 -9.968 5.140 -5.951 1.00 0.00 C ATOM 881 CG GLN A 147 -10.555 5.885 -4.764 1.00 0.00 C ATOM 882 CD GLN A 147 -11.225 4.961 -3.767 1.00 0.00 C ATOM 883 OE1 GLN A 147 -12.420 4.681 -3.869 1.00 0.00 O ATOM 884 NE2 GLN A 147 -10.458 4.480 -2.796 1.00 0.00 N ATOM 0 H GLN A 147 -7.815 6.224 -5.413 1.00 0.00 H new ATOM 0 HA GLN A 147 -8.918 3.695 -4.755 1.00 0.00 H new ATOM 0 HB2 GLN A 147 -9.730 5.856 -6.737 1.00 0.00 H new ATOM 0 HB3 GLN A 147 -10.722 4.464 -6.354 1.00 0.00 H new ATOM 0 HG2 GLN A 147 -9.764 6.442 -4.262 1.00 0.00 H new ATOM 0 HG3 GLN A 147 -11.281 6.615 -5.121 1.00 0.00 H new ATOM 0 HE21 GLN A 147 -9.472 4.738 -2.749 1.00 0.00 H new ATOM 0 HE22 GLN A 147 -10.854 3.852 -2.097 1.00 0.00 H new ATOM 893 N MET A 148 -7.646 4.053 -7.770 1.00 0.00 N ATOM 894 CA MET A 148 -7.212 3.321 -8.955 1.00 0.00 C ATOM 895 C MET A 148 -6.368 2.111 -8.567 1.00 0.00 C ATOM 896 O MET A 148 -6.309 1.123 -9.299 1.00 0.00 O ATOM 897 CB MET A 148 -6.414 4.238 -9.884 1.00 0.00 C ATOM 898 CG MET A 148 -7.285 5.063 -10.817 1.00 0.00 C ATOM 899 SD MET A 148 -8.306 4.043 -11.898 1.00 0.00 S ATOM 900 CE MET A 148 -9.750 5.086 -12.083 1.00 0.00 C ATOM 0 H MET A 148 -7.390 5.040 -7.767 1.00 0.00 H new ATOM 0 HA MET A 148 -8.100 2.969 -9.480 1.00 0.00 H new ATOM 0 HB2 MET A 148 -5.803 4.910 -9.281 1.00 0.00 H new ATOM 0 HB3 MET A 148 -5.730 3.633 -10.479 1.00 0.00 H new ATOM 0 HG2 MET A 148 -7.928 5.715 -10.226 1.00 0.00 H new ATOM 0 HG3 MET A 148 -6.650 5.707 -11.425 1.00 0.00 H new ATOM 0 HE1 MET A 148 -10.476 4.591 -12.727 1.00 0.00 H new ATOM 0 HE2 MET A 148 -10.196 5.266 -11.105 1.00 0.00 H new ATOM 0 HE3 MET A 148 -9.458 6.036 -12.529 1.00 0.00 H new ATOM 910 N PHE A 149 -5.715 2.196 -7.413 1.00 0.00 N ATOM 911 CA PHE A 149 -4.872 1.109 -6.929 1.00 0.00 C ATOM 912 C PHE A 149 -5.438 0.512 -5.644 1.00 0.00 C ATOM 913 O PHE A 149 -4.991 -0.539 -5.184 1.00 0.00 O ATOM 914 CB PHE A 149 -3.446 1.609 -6.688 1.00 0.00 C ATOM 915 CG PHE A 149 -2.689 1.897 -7.953 1.00 0.00 C ATOM 916 CD1 PHE A 149 -3.161 2.832 -8.860 1.00 0.00 C ATOM 917 CD2 PHE A 149 -1.507 1.232 -8.235 1.00 0.00 C ATOM 918 CE1 PHE A 149 -2.467 3.099 -10.025 1.00 0.00 C ATOM 919 CE2 PHE A 149 -0.808 1.496 -9.397 1.00 0.00 C ATOM 920 CZ PHE A 149 -1.289 2.430 -10.294 1.00 0.00 C ATOM 0 H PHE A 149 -5.753 3.007 -6.795 1.00 0.00 H new ATOM 0 HA PHE A 149 -4.852 0.331 -7.692 1.00 0.00 H new ATOM 0 HB2 PHE A 149 -3.485 2.515 -6.083 1.00 0.00 H new ATOM 0 HB3 PHE A 149 -2.901 0.863 -6.110 1.00 0.00 H new ATOM 0 HD1 PHE A 149 -4.082 3.358 -8.654 1.00 0.00 H new ATOM 0 HD2 PHE A 149 -1.128 0.499 -7.539 1.00 0.00 H new ATOM 0 HE1 PHE A 149 -2.845 3.830 -10.724 1.00 0.00 H new ATOM 0 HE2 PHE A 149 0.114 0.973 -9.604 1.00 0.00 H new ATOM 0 HZ PHE A 149 -0.745 2.637 -11.204 1.00 0.00 H new ATOM 930 N HIS A 150 -6.426 1.191 -5.069 1.00 0.00 N ATOM 931 CA HIS A 150 -7.055 0.729 -3.837 1.00 0.00 C ATOM 932 C HIS A 150 -7.519 -0.718 -3.973 1.00 0.00 C ATOM 933 O HIS A 150 -8.039 -1.116 -5.015 1.00 0.00 O ATOM 934 CB HIS A 150 -8.239 1.625 -3.476 1.00 0.00 C ATOM 935 CG HIS A 150 -9.081 1.086 -2.361 1.00 0.00 C ATOM 936 ND1 HIS A 150 -8.550 0.475 -1.245 1.00 0.00 N ATOM 937 CD2 HIS A 150 -10.424 1.070 -2.193 1.00 0.00 C ATOM 938 CE1 HIS A 150 -9.530 0.105 -0.440 1.00 0.00 C ATOM 939 NE2 HIS A 150 -10.678 0.455 -0.992 1.00 0.00 N ATOM 0 H HIS A 150 -6.808 2.062 -5.436 1.00 0.00 H new ATOM 0 HA HIS A 150 -6.314 0.781 -3.039 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -7.866 2.610 -3.195 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -8.864 1.761 -4.359 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -11.159 1.467 -2.877 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -9.413 -0.398 0.508 1.00 0.00 H new ATOM 0 HE2 HIS A 150 -11.602 0.295 -0.591 1.00 0.00 H new ATOM 948 N GLN A 151 -7.328 -1.498 -2.915 1.00 0.00 N ATOM 949 CA GLN A 151 -7.726 -2.901 -2.918 1.00 0.00 C ATOM 950 C GLN A 151 -7.291 -3.587 -4.209 1.00 0.00 C ATOM 951 O GLN A 151 -7.958 -4.502 -4.693 1.00 0.00 O ATOM 952 CB GLN A 151 -9.242 -3.023 -2.748 1.00 0.00 C ATOM 953 CG GLN A 151 -10.035 -2.326 -3.842 1.00 0.00 C ATOM 954 CD GLN A 151 -11.515 -2.646 -3.783 1.00 0.00 C ATOM 955 OE1 GLN A 151 -12.332 -1.797 -3.423 1.00 0.00 O ATOM 956 NE2 GLN A 151 -11.870 -3.875 -4.137 1.00 0.00 N ATOM 0 H GLN A 151 -6.900 -1.183 -2.044 1.00 0.00 H new ATOM 0 HA GLN A 151 -7.232 -3.395 -2.081 1.00 0.00 H new ATOM 0 HB2 GLN A 151 -9.513 -4.079 -2.730 1.00 0.00 H new ATOM 0 HB3 GLN A 151 -9.526 -2.605 -1.782 1.00 0.00 H new ATOM 0 HG2 GLN A 151 -9.896 -1.248 -3.756 1.00 0.00 H new ATOM 0 HG3 GLN A 151 -9.642 -2.621 -4.815 1.00 0.00 H new ATOM 0 HE21 GLN A 151 -11.160 -4.547 -4.429 1.00 0.00 H new ATOM 0 HE22 GLN A 151 -12.853 -4.148 -4.117 1.00 0.00 H new ATOM 965 N TYR A 152 -6.168 -3.141 -4.761 1.00 0.00 N ATOM 966 CA TYR A 152 -5.645 -3.710 -5.997 1.00 0.00 C ATOM 967 C TYR A 152 -5.209 -5.157 -5.788 1.00 0.00 C ATOM 968 O TYR A 152 -4.970 -5.589 -4.661 1.00 0.00 O ATOM 969 CB TYR A 152 -4.466 -2.879 -6.507 1.00 0.00 C ATOM 970 CG TYR A 152 -3.626 -3.592 -7.541 1.00 0.00 C ATOM 971 CD1 TYR A 152 -4.124 -3.850 -8.812 1.00 0.00 C ATOM 972 CD2 TYR A 152 -2.332 -4.007 -7.248 1.00 0.00 C ATOM 973 CE1 TYR A 152 -3.359 -4.502 -9.761 1.00 0.00 C ATOM 974 CE2 TYR A 152 -1.560 -4.658 -8.191 1.00 0.00 C ATOM 975 CZ TYR A 152 -2.078 -4.904 -9.445 1.00 0.00 C ATOM 976 OH TYR A 152 -1.313 -5.553 -10.387 1.00 0.00 O ATOM 0 H TYR A 152 -5.602 -2.387 -4.372 1.00 0.00 H new ATOM 0 HA TYR A 152 -6.442 -3.693 -6.741 1.00 0.00 H new ATOM 0 HB2 TYR A 152 -4.845 -1.951 -6.936 1.00 0.00 H new ATOM 0 HB3 TYR A 152 -3.833 -2.605 -5.663 1.00 0.00 H new ATOM 0 HD1 TYR A 152 -5.126 -3.536 -9.063 1.00 0.00 H new ATOM 0 HD2 TYR A 152 -1.923 -3.817 -6.267 1.00 0.00 H new ATOM 0 HE1 TYR A 152 -3.762 -4.695 -10.744 1.00 0.00 H new ATOM 0 HE2 TYR A 152 -0.556 -4.973 -7.947 1.00 0.00 H new ATOM 0 HH TYR A 152 -0.436 -5.767 -10.005 1.00 0.00 H new ATOM 986 N SER A 153 -5.108 -5.902 -6.885 1.00 0.00 N ATOM 987 CA SER A 153 -4.704 -7.301 -6.824 1.00 0.00 C ATOM 988 C SER A 153 -3.188 -7.425 -6.707 1.00 0.00 C ATOM 989 O SER A 153 -2.455 -7.129 -7.650 1.00 0.00 O ATOM 990 CB SER A 153 -5.194 -8.050 -8.065 1.00 0.00 C ATOM 991 OG SER A 153 -5.332 -9.436 -7.804 1.00 0.00 O ATOM 0 H SER A 153 -5.301 -5.559 -7.826 1.00 0.00 H new ATOM 0 HA SER A 153 -5.157 -7.745 -5.938 1.00 0.00 H new ATOM 0 HB2 SER A 153 -6.152 -7.640 -8.386 1.00 0.00 H new ATOM 0 HB3 SER A 153 -4.492 -7.900 -8.885 1.00 0.00 H new ATOM 0 HG SER A 153 -5.648 -9.891 -8.612 1.00 0.00 H new ATOM 997 N PHE A 154 -2.725 -7.864 -5.541 1.00 0.00 N ATOM 998 CA PHE A 154 -1.297 -8.027 -5.298 1.00 0.00 C ATOM 999 C PHE A 154 -1.041 -9.129 -4.274 1.00 0.00 C ATOM 1000 O PHE A 154 -1.336 -8.971 -3.090 1.00 0.00 O ATOM 1001 CB PHE A 154 -0.688 -6.710 -4.810 1.00 0.00 C ATOM 1002 CG PHE A 154 0.814 -6.705 -4.818 1.00 0.00 C ATOM 1003 CD1 PHE A 154 1.512 -6.318 -5.951 1.00 0.00 C ATOM 1004 CD2 PHE A 154 1.528 -7.087 -3.694 1.00 0.00 C ATOM 1005 CE1 PHE A 154 2.895 -6.312 -5.962 1.00 0.00 C ATOM 1006 CE2 PHE A 154 2.910 -7.082 -3.699 1.00 0.00 C ATOM 1007 CZ PHE A 154 3.594 -6.695 -4.834 1.00 0.00 C ATOM 0 H PHE A 154 -3.318 -8.113 -4.750 1.00 0.00 H new ATOM 0 HA PHE A 154 -0.824 -8.312 -6.238 1.00 0.00 H new ATOM 0 HB2 PHE A 154 -1.049 -5.897 -5.439 1.00 0.00 H new ATOM 0 HB3 PHE A 154 -1.039 -6.510 -3.798 1.00 0.00 H new ATOM 0 HD1 PHE A 154 0.970 -6.018 -6.835 1.00 0.00 H new ATOM 0 HD2 PHE A 154 0.999 -7.392 -2.804 1.00 0.00 H new ATOM 0 HE1 PHE A 154 3.428 -6.008 -6.851 1.00 0.00 H new ATOM 0 HE2 PHE A 154 3.455 -7.381 -2.815 1.00 0.00 H new ATOM 0 HZ PHE A 154 4.674 -6.692 -4.840 1.00 0.00 H new ATOM 1017 N ARG A 155 -0.490 -10.245 -4.741 1.00 0.00 N ATOM 1018 CA ARG A 155 -0.196 -11.375 -3.867 1.00 0.00 C ATOM 1019 C ARG A 155 -1.462 -11.872 -3.176 1.00 0.00 C ATOM 1020 O ARG A 155 -1.452 -12.180 -1.985 1.00 0.00 O ATOM 1021 CB ARG A 155 0.847 -10.979 -2.821 1.00 0.00 C ATOM 1022 CG ARG A 155 2.094 -10.343 -3.414 1.00 0.00 C ATOM 1023 CD ARG A 155 3.149 -11.387 -3.745 1.00 0.00 C ATOM 1024 NE ARG A 155 2.893 -12.035 -5.028 1.00 0.00 N ATOM 1025 CZ ARG A 155 3.165 -11.475 -6.202 1.00 0.00 C ATOM 1026 NH1 ARG A 155 3.698 -10.262 -6.253 1.00 0.00 N ATOM 1027 NH2 ARG A 155 2.904 -12.128 -7.327 1.00 0.00 N ATOM 0 H ARG A 155 -0.238 -10.391 -5.719 1.00 0.00 H new ATOM 0 HA ARG A 155 0.203 -12.183 -4.481 1.00 0.00 H new ATOM 0 HB2 ARG A 155 0.395 -10.282 -2.115 1.00 0.00 H new ATOM 0 HB3 ARG A 155 1.135 -11.864 -2.255 1.00 0.00 H new ATOM 0 HG2 ARG A 155 1.829 -9.793 -4.317 1.00 0.00 H new ATOM 0 HG3 ARG A 155 2.505 -9.620 -2.710 1.00 0.00 H new ATOM 0 HD2 ARG A 155 4.131 -10.915 -3.767 1.00 0.00 H new ATOM 0 HD3 ARG A 155 3.174 -12.140 -2.957 1.00 0.00 H new ATOM 0 HE ARG A 155 2.483 -12.969 -5.023 1.00 0.00 H new ATOM 0 HH11 ARG A 155 3.900 -9.757 -5.390 1.00 0.00 H new ATOM 0 HH12 ARG A 155 3.906 -9.834 -7.155 1.00 0.00 H new ATOM 0 HH21 ARG A 155 2.494 -13.061 -7.292 1.00 0.00 H new ATOM 0 HH22 ARG A 155 3.113 -11.697 -8.227 1.00 0.00 H new ATOM 1041 N GLY A 156 -2.553 -11.946 -3.933 1.00 0.00 N ATOM 1042 CA GLY A 156 -3.812 -12.405 -3.376 1.00 0.00 C ATOM 1043 C GLY A 156 -4.316 -11.507 -2.264 1.00 0.00 C ATOM 1044 O GLY A 156 -5.200 -11.891 -1.497 1.00 0.00 O ATOM 0 H GLY A 156 -2.587 -11.696 -4.921 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -4.560 -12.453 -4.167 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -3.688 -13.418 -2.993 1.00 0.00 H new ATOM 1048 N LYS A 157 -3.753 -10.307 -2.173 1.00 0.00 N ATOM 1049 CA LYS A 157 -4.149 -9.351 -1.146 1.00 0.00 C ATOM 1050 C LYS A 157 -4.793 -8.117 -1.771 1.00 0.00 C ATOM 1051 O LYS A 157 -4.776 -7.947 -2.990 1.00 0.00 O ATOM 1052 CB LYS A 157 -2.936 -8.938 -0.309 1.00 0.00 C ATOM 1053 CG LYS A 157 -2.494 -9.997 0.685 1.00 0.00 C ATOM 1054 CD LYS A 157 -3.572 -10.275 1.719 1.00 0.00 C ATOM 1055 CE LYS A 157 -3.063 -11.189 2.823 1.00 0.00 C ATOM 1056 NZ LYS A 157 -3.008 -12.612 2.385 1.00 0.00 N ATOM 0 H LYS A 157 -3.020 -9.973 -2.799 1.00 0.00 H new ATOM 0 HA LYS A 157 -4.882 -9.833 -0.499 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -2.105 -8.709 -0.977 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -3.173 -8.021 0.231 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -2.252 -10.918 0.154 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -1.583 -9.669 1.186 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -3.913 -9.335 2.152 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -4.433 -10.734 1.234 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -2.069 -10.866 3.132 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -3.712 -11.102 3.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -2.656 -13.202 3.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -3.961 -12.929 2.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -2.369 -12.700 1.569 1.00 0.00 H new ATOM 1070 N ASP A 158 -5.358 -7.260 -0.929 1.00 0.00 N ATOM 1071 CA ASP A 158 -6.005 -6.040 -1.398 1.00 0.00 C ATOM 1072 C ASP A 158 -5.257 -4.804 -0.906 1.00 0.00 C ATOM 1073 O ASP A 158 -5.624 -4.206 0.106 1.00 0.00 O ATOM 1074 CB ASP A 158 -7.459 -5.994 -0.926 1.00 0.00 C ATOM 1075 CG ASP A 158 -8.222 -7.255 -1.279 1.00 0.00 C ATOM 1076 OD1 ASP A 158 -8.535 -7.445 -2.474 1.00 0.00 O ATOM 1077 OD2 ASP A 158 -8.506 -8.053 -0.362 1.00 0.00 O ATOM 0 H ASP A 158 -5.381 -7.387 0.083 1.00 0.00 H new ATOM 0 HA ASP A 158 -5.986 -6.044 -2.488 1.00 0.00 H new ATOM 0 HB2 ASP A 158 -7.483 -5.849 0.154 1.00 0.00 H new ATOM 0 HB3 ASP A 158 -7.957 -5.134 -1.375 1.00 0.00 H new ATOM 1082 N LEU A 159 -4.208 -4.428 -1.628 1.00 0.00 N ATOM 1083 CA LEU A 159 -3.407 -3.263 -1.264 1.00 0.00 C ATOM 1084 C LEU A 159 -4.299 -2.063 -0.961 1.00 0.00 C ATOM 1085 O LEU A 159 -5.009 -1.568 -1.837 1.00 0.00 O ATOM 1086 CB LEU A 159 -2.433 -2.918 -2.391 1.00 0.00 C ATOM 1087 CG LEU A 159 -1.353 -3.960 -2.688 1.00 0.00 C ATOM 1088 CD1 LEU A 159 -0.513 -3.532 -3.881 1.00 0.00 C ATOM 1089 CD2 LEU A 159 -0.474 -4.180 -1.465 1.00 0.00 C ATOM 0 H LEU A 159 -3.892 -4.912 -2.468 1.00 0.00 H new ATOM 0 HA LEU A 159 -2.841 -3.507 -0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.008 -2.750 -3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -1.943 -1.976 -2.145 1.00 0.00 H new ATOM 0 HG LEU A 159 -1.842 -4.903 -2.934 1.00 0.00 H new ATOM 0 HD11 LEU A 159 0.250 -4.285 -4.078 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -1.153 -3.426 -4.757 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -0.033 -2.577 -3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 159 0.289 -4.924 -1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 159 0.006 -3.241 -1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -1.087 -4.532 -0.635 1.00 0.00 H new ATOM 1101 N ILE A 160 -4.255 -1.599 0.283 1.00 0.00 N ATOM 1102 CA ILE A 160 -5.055 -0.454 0.699 1.00 0.00 C ATOM 1103 C ILE A 160 -4.264 0.844 0.580 1.00 0.00 C ATOM 1104 O ILE A 160 -3.248 1.028 1.251 1.00 0.00 O ATOM 1105 CB ILE A 160 -5.548 -0.610 2.150 1.00 0.00 C ATOM 1106 CG1 ILE A 160 -6.420 -1.860 2.284 1.00 0.00 C ATOM 1107 CG2 ILE A 160 -6.317 0.629 2.584 1.00 0.00 C ATOM 1108 CD1 ILE A 160 -6.590 -2.328 3.713 1.00 0.00 C ATOM 0 H ILE A 160 -3.674 -1.998 1.020 1.00 0.00 H new ATOM 0 HA ILE A 160 -5.916 -0.413 0.032 1.00 0.00 H new ATOM 0 HB ILE A 160 -4.682 -0.723 2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 160 -7.402 -1.655 1.858 1.00 0.00 H new ATOM 0 HG13 ILE A 160 -5.979 -2.665 1.696 1.00 0.00 H new ATOM 0 HG21 ILE A 160 -6.659 0.504 3.611 1.00 0.00 H new ATOM 0 HG22 ILE A 160 -5.666 1.501 2.522 1.00 0.00 H new ATOM 0 HG23 ILE A 160 -7.177 0.771 1.930 1.00 0.00 H new ATOM 0 HD11 ILE A 160 -7.219 -3.218 3.732 1.00 0.00 H new ATOM 0 HD12 ILE A 160 -5.614 -2.565 4.137 1.00 0.00 H new ATOM 0 HD13 ILE A 160 -7.059 -1.539 4.301 1.00 0.00 H new ATOM 1120 N VAL A 161 -4.737 1.742 -0.279 1.00 0.00 N ATOM 1121 CA VAL A 161 -4.075 3.025 -0.485 1.00 0.00 C ATOM 1122 C VAL A 161 -4.868 4.160 0.152 1.00 0.00 C ATOM 1123 O VAL A 161 -6.078 4.270 -0.042 1.00 0.00 O ATOM 1124 CB VAL A 161 -3.884 3.324 -1.983 1.00 0.00 C ATOM 1125 CG1 VAL A 161 -2.866 4.436 -2.181 1.00 0.00 C ATOM 1126 CG2 VAL A 161 -3.463 2.066 -2.728 1.00 0.00 C ATOM 0 H VAL A 161 -5.576 1.605 -0.843 1.00 0.00 H new ATOM 0 HA VAL A 161 -3.097 2.957 -0.009 1.00 0.00 H new ATOM 0 HB VAL A 161 -4.837 3.660 -2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 161 -2.745 4.633 -3.246 1.00 0.00 H new ATOM 0 HG12 VAL A 161 -3.214 5.341 -1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 161 -1.909 4.133 -1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 161 -3.333 2.296 -3.785 1.00 0.00 H new ATOM 0 HG22 VAL A 161 -2.523 1.698 -2.318 1.00 0.00 H new ATOM 0 HG23 VAL A 161 -4.232 1.302 -2.615 1.00 0.00 H new ATOM 1136 N GLN A 162 -4.177 5.003 0.913 1.00 0.00 N ATOM 1137 CA GLN A 162 -4.817 6.131 1.579 1.00 0.00 C ATOM 1138 C GLN A 162 -4.020 7.414 1.365 1.00 0.00 C ATOM 1139 O GLN A 162 -2.944 7.396 0.765 1.00 0.00 O ATOM 1140 CB GLN A 162 -4.963 5.851 3.076 1.00 0.00 C ATOM 1141 CG GLN A 162 -6.240 5.109 3.434 1.00 0.00 C ATOM 1142 CD GLN A 162 -6.459 5.013 4.931 1.00 0.00 C ATOM 1143 OE1 GLN A 162 -5.646 5.493 5.721 1.00 0.00 O ATOM 1144 NE2 GLN A 162 -7.562 4.390 5.329 1.00 0.00 N ATOM 0 H GLN A 162 -3.174 4.926 1.083 1.00 0.00 H new ATOM 0 HA GLN A 162 -5.807 6.263 1.143 1.00 0.00 H new ATOM 0 HB2 GLN A 162 -4.107 5.267 3.413 1.00 0.00 H new ATOM 0 HB3 GLN A 162 -4.938 6.796 3.618 1.00 0.00 H new ATOM 0 HG2 GLN A 162 -7.090 5.616 2.978 1.00 0.00 H new ATOM 0 HG3 GLN A 162 -6.203 4.105 3.011 1.00 0.00 H new ATOM 0 HE21 GLN A 162 -8.209 4.007 4.639 1.00 0.00 H new ATOM 0 HE22 GLN A 162 -7.763 4.294 6.324 1.00 0.00 H new ATOM 1153 N LEU A 163 -4.554 8.525 1.859 1.00 0.00 N ATOM 1154 CA LEU A 163 -3.892 9.818 1.721 1.00 0.00 C ATOM 1155 C LEU A 163 -2.840 10.010 2.809 1.00 0.00 C ATOM 1156 O LEU A 163 -2.812 9.273 3.795 1.00 0.00 O ATOM 1157 CB LEU A 163 -4.920 10.949 1.786 1.00 0.00 C ATOM 1158 CG LEU A 163 -5.537 11.373 0.453 1.00 0.00 C ATOM 1159 CD1 LEU A 163 -6.722 12.297 0.683 1.00 0.00 C ATOM 1160 CD2 LEU A 163 -4.494 12.049 -0.426 1.00 0.00 C ATOM 0 H LEU A 163 -5.443 8.557 2.358 1.00 0.00 H new ATOM 0 HA LEU A 163 -3.395 9.842 0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -5.725 10.644 2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -4.444 11.820 2.237 1.00 0.00 H new ATOM 0 HG LEU A 163 -5.893 10.480 -0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -7.148 12.588 -0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -7.478 11.779 1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -6.391 13.187 1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -4.950 12.344 -1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -4.107 12.933 0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -3.676 11.355 -0.620 1.00 0.00 H new