USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 845 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 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 105 MET CE :methyl -163:sc= 0 (180deg=-0.0762) USER MOD Set 2.1: A 61 ASN :FLIP amide:sc= -1.39 F(o=-2.2,f=-1.4) USER MOD Set 2.2: A 63 GLN : amide:sc=-0.00288 K(o=-1.4,f=-2) USER MOD Set 3.1: A 44 LYS NZ :NH3+ -116:sc= 0.00391 (180deg=0) USER MOD Set 3.2: A 95 TYR OH : rot -39:sc= 1.22 USER MOD Set 4.1: A 18 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 19 ASN : amide:sc= -4.6! C(o=-4.6!,f=-7.9!) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.242 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HE2:sc= -0.163 K(o=-0.16,f=-0.85) USER MOD Single : A 32 ASN : amide:sc= 1.03 K(o=1,f=-0.34) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 TYR OH : rot -155:sc= 0.853 USER MOD Single : A 41 ASN : amide:sc= -0.263 X(o=-0.26,f=-0.59) USER MOD Single : A 43 TYR OH : rot -131:sc= -0.804 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.278 USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 9:sc= 0.308 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot -170:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 150:sc= -0.0534 USER MOD Single : A 84 MET CE :methyl -119:sc= -0.831 (180deg=-2.62!) USER MOD Single : A 86 ASN : amide:sc= -0.0698 K(o=-0.07,f=-1.9) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.0386 X(o=-0.039,f=-0.13) USER MOD Single : A 92 THR OG1 : rot 94:sc= 0.218 USER MOD Single : A 94 SER OG : rot -140:sc= -3.35! USER MOD Single : A 96 THR OG1 : rot 66:sc= 0.912 USER MOD Single : A 98 GLN : amide:sc= -0.0275 K(o=-0.027,f=-0.55) USER MOD Single : A 103 ASN : amide:sc= -1.77! C(o=-1.8!,f=-1.8!) USER MOD Single : A 106 SER OG : rot -37:sc= -0.224! USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -2.01 K(o=-2,f=-5.5!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -0.635 K(o=-0.64,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 90 N GLN A 10 2.066 15.332 8.652 1.00 0.00 N ATOM 91 CA GLN A 10 2.327 14.403 7.559 1.00 0.00 C ATOM 92 C GLN A 10 1.206 13.376 7.438 1.00 0.00 C ATOM 93 O GLN A 10 0.744 12.825 8.438 1.00 0.00 O ATOM 94 CB GLN A 10 3.665 13.693 7.774 1.00 0.00 C ATOM 95 CG GLN A 10 3.675 12.766 8.979 1.00 0.00 C ATOM 96 CD GLN A 10 5.071 12.523 9.517 1.00 0.00 C ATOM 97 OE1 GLN A 10 6.049 12.539 8.769 1.00 0.00 O ATOM 98 NE2 GLN A 10 5.172 12.297 10.822 1.00 0.00 N ATOM 0 HA GLN A 10 2.372 14.975 6.632 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.909 13.117 6.881 1.00 0.00 H new ATOM 0 HB3 GLN A 10 4.449 14.441 7.895 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.056 13.194 9.767 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.225 11.812 8.703 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.335 12.293 11.405 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.086 12.128 11.241 1.00 0.00 H new ATOM 107 N LEU A 11 0.773 13.123 6.208 1.00 0.00 N ATOM 108 CA LEU A 11 -0.295 12.161 5.956 1.00 0.00 C ATOM 109 C LEU A 11 0.015 10.819 6.610 1.00 0.00 C ATOM 110 O LEU A 11 0.887 10.079 6.153 1.00 0.00 O ATOM 111 CB LEU A 11 -0.494 11.974 4.451 1.00 0.00 C ATOM 112 CG LEU A 11 -1.893 11.545 4.007 1.00 0.00 C ATOM 113 CD1 LEU A 11 -2.955 12.342 4.748 1.00 0.00 C ATOM 114 CD2 LEU A 11 -2.050 11.713 2.503 1.00 0.00 C ATOM 0 H LEU A 11 1.144 13.570 5.370 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.214 12.553 6.392 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.248 12.912 3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.221 11.230 4.100 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.024 10.490 4.250 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.944 12.023 4.419 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.856 12.171 5.820 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.827 13.404 4.536 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.052 11.403 2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.899 12.759 2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.312 11.098 1.989 1.00 0.00 H new ATOM 126 N THR A 12 -0.706 10.509 7.683 1.00 0.00 N ATOM 127 CA THR A 12 -0.510 9.255 8.400 1.00 0.00 C ATOM 128 C THR A 12 -1.781 8.414 8.396 1.00 0.00 C ATOM 129 O THR A 12 -2.844 8.881 7.985 1.00 0.00 O ATOM 130 CB THR A 12 -0.077 9.503 9.857 1.00 0.00 C ATOM 131 OG1 THR A 12 0.253 8.261 10.489 1.00 0.00 O ATOM 132 CG2 THR A 12 -1.182 10.198 10.639 1.00 0.00 C ATOM 0 H THR A 12 -1.431 11.110 8.075 1.00 0.00 H new ATOM 0 HA THR A 12 0.281 8.715 7.880 1.00 0.00 H new ATOM 0 HB THR A 12 0.801 10.149 9.847 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.529 8.428 11.414 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.853 10.363 11.665 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.410 11.156 10.173 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.075 9.573 10.640 1.00 0.00 H new ATOM 140 N ILE A 13 -1.665 7.173 8.856 1.00 0.00 N ATOM 141 CA ILE A 13 -2.807 6.268 8.906 1.00 0.00 C ATOM 142 C ILE A 13 -2.702 5.317 10.093 1.00 0.00 C ATOM 143 O ILE A 13 -1.661 4.701 10.317 1.00 0.00 O ATOM 144 CB ILE A 13 -2.929 5.443 7.611 1.00 0.00 C ATOM 145 CG1 ILE A 13 -3.462 6.315 6.473 1.00 0.00 C ATOM 146 CG2 ILE A 13 -3.834 4.240 7.833 1.00 0.00 C ATOM 147 CD1 ILE A 13 -3.279 5.700 5.103 1.00 0.00 C ATOM 0 H ILE A 13 -0.793 6.771 9.199 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.697 6.888 9.017 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.939 5.082 7.333 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.523 6.505 6.638 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.957 7.281 6.499 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.910 3.667 6.909 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.415 3.610 8.618 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.825 4.581 8.132 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.680 6.373 4.345 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.218 5.535 4.917 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.807 4.748 5.058 1.00 0.00 H new ATOM 159 N GLU A 14 -3.789 5.202 10.850 1.00 0.00 N ATOM 160 CA GLU A 14 -3.819 4.324 12.015 1.00 0.00 C ATOM 161 C GLU A 14 -4.955 3.312 11.903 1.00 0.00 C ATOM 162 O GLU A 14 -6.130 3.678 11.911 1.00 0.00 O ATOM 163 CB GLU A 14 -3.977 5.146 13.296 1.00 0.00 C ATOM 164 CG GLU A 14 -4.053 4.300 14.556 1.00 0.00 C ATOM 165 CD GLU A 14 -4.278 5.131 15.804 1.00 0.00 C ATOM 166 OE1 GLU A 14 -5.021 6.131 15.726 1.00 0.00 O ATOM 167 OE2 GLU A 14 -3.710 4.780 16.859 1.00 0.00 O ATOM 0 H GLU A 14 -4.660 5.705 10.678 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.875 3.781 12.055 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.137 5.835 13.381 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.880 5.752 13.220 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.862 3.577 14.455 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.129 3.732 14.664 1.00 0.00 H new ATOM 174 N ALA A 15 -4.595 2.037 11.799 1.00 0.00 N ATOM 175 CA ALA A 15 -5.583 0.971 11.688 1.00 0.00 C ATOM 176 C ALA A 15 -6.438 0.881 12.947 1.00 0.00 C ATOM 177 O ALA A 15 -5.933 1.002 14.063 1.00 0.00 O ATOM 178 CB ALA A 15 -4.895 -0.360 11.419 1.00 0.00 C ATOM 0 H ALA A 15 -3.626 1.717 11.789 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.240 1.204 10.850 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.645 -1.147 11.338 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.333 -0.297 10.487 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.214 -0.590 12.239 1.00 0.00 H new ATOM 184 N VAL A 16 -7.738 0.670 12.761 1.00 0.00 N ATOM 185 CA VAL A 16 -8.664 0.564 13.882 1.00 0.00 C ATOM 186 C VAL A 16 -9.674 -0.554 13.656 1.00 0.00 C ATOM 187 O VAL A 16 -10.567 -0.457 12.814 1.00 0.00 O ATOM 188 CB VAL A 16 -9.420 1.886 14.112 1.00 0.00 C ATOM 189 CG1 VAL A 16 -10.428 1.735 15.241 1.00 0.00 C ATOM 190 CG2 VAL A 16 -8.443 3.014 14.406 1.00 0.00 C ATOM 0 H VAL A 16 -8.173 0.569 11.844 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.067 0.337 14.766 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.965 2.136 13.202 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.953 2.679 15.389 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -11.147 0.957 14.985 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.908 1.461 16.159 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.994 3.941 14.566 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.869 2.774 15.301 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.764 3.137 13.562 1.00 0.00 H new ATOM 200 N PRO A 17 -9.534 -1.644 14.426 1.00 0.00 N ATOM 201 CA PRO A 17 -8.474 -1.770 15.432 1.00 0.00 C ATOM 202 C PRO A 17 -7.093 -1.916 14.803 1.00 0.00 C ATOM 203 O PRO A 17 -6.965 -2.059 13.587 1.00 0.00 O ATOM 204 CB PRO A 17 -8.855 -3.046 16.188 1.00 0.00 C ATOM 205 CG PRO A 17 -9.657 -3.838 15.215 1.00 0.00 C ATOM 206 CD PRO A 17 -10.397 -2.835 14.374 1.00 0.00 C ATOM 0 HA PRO A 17 -8.405 -0.886 16.066 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.970 -3.594 16.510 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -9.432 -2.818 17.084 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -9.013 -4.465 14.598 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.351 -4.502 15.730 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.532 -3.189 13.352 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -11.390 -2.630 14.774 1.00 0.00 H new ATOM 214 N SER A 18 -6.060 -1.879 15.639 1.00 0.00 N ATOM 215 CA SER A 18 -4.687 -2.003 15.165 1.00 0.00 C ATOM 216 C SER A 18 -4.367 -3.450 14.800 1.00 0.00 C ATOM 217 O SER A 18 -3.499 -3.715 13.971 1.00 0.00 O ATOM 218 CB SER A 18 -3.709 -1.506 16.231 1.00 0.00 C ATOM 219 OG SER A 18 -2.405 -1.356 15.697 1.00 0.00 O ATOM 0 H SER A 18 -6.148 -1.764 16.649 1.00 0.00 H new ATOM 0 HA SER A 18 -4.581 -1.389 14.271 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.054 -0.552 16.629 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.686 -2.209 17.064 1.00 0.00 H new ATOM 0 HG SER A 18 -1.799 -1.036 16.398 1.00 0.00 H new ATOM 225 N ASN A 19 -5.077 -4.382 15.428 1.00 0.00 N ATOM 226 CA ASN A 19 -4.869 -5.803 15.171 1.00 0.00 C ATOM 227 C ASN A 19 -6.168 -6.583 15.348 1.00 0.00 C ATOM 228 O ASN A 19 -6.618 -6.813 16.471 1.00 0.00 O ATOM 229 CB ASN A 19 -3.794 -6.360 16.108 1.00 0.00 C ATOM 230 CG ASN A 19 -2.403 -5.882 15.740 1.00 0.00 C ATOM 231 OD1 ASN A 19 -2.131 -4.681 15.724 1.00 0.00 O ATOM 232 ND2 ASN A 19 -1.514 -6.822 15.442 1.00 0.00 N ATOM 0 H ASN A 19 -5.801 -4.179 16.118 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.536 -5.916 14.139 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.019 -6.062 17.132 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.820 -7.449 16.080 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.562 -6.561 15.187 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.783 -7.805 15.468 1.00 0.00 H new ATOM 239 N ALA A 20 -6.765 -6.989 14.232 1.00 0.00 N ATOM 240 CA ALA A 20 -8.010 -7.746 14.264 1.00 0.00 C ATOM 241 C ALA A 20 -7.758 -9.228 14.012 1.00 0.00 C ATOM 242 O ALA A 20 -6.612 -9.662 13.896 1.00 0.00 O ATOM 243 CB ALA A 20 -8.989 -7.194 13.239 1.00 0.00 C ATOM 0 H ALA A 20 -6.406 -6.806 13.295 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.444 -7.642 15.258 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.915 -7.769 13.274 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.202 -6.149 13.465 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.553 -7.268 12.243 1.00 0.00 H new ATOM 249 N ALA A 21 -8.835 -10.002 13.930 1.00 0.00 N ATOM 250 CA ALA A 21 -8.730 -11.436 13.691 1.00 0.00 C ATOM 251 C ALA A 21 -9.423 -11.828 12.391 1.00 0.00 C ATOM 252 O ALA A 21 -10.214 -11.060 11.843 1.00 0.00 O ATOM 253 CB ALA A 21 -9.321 -12.210 14.860 1.00 0.00 C ATOM 0 H ALA A 21 -9.791 -9.660 14.026 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.673 -11.688 13.599 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.236 -13.280 14.668 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.779 -11.961 15.772 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.372 -11.945 14.978 1.00 0.00 H new ATOM 259 N GLU A 22 -9.121 -13.027 11.902 1.00 0.00 N ATOM 260 CA GLU A 22 -9.715 -13.518 10.665 1.00 0.00 C ATOM 261 C GLU A 22 -11.229 -13.330 10.675 1.00 0.00 C ATOM 262 O GLU A 22 -11.903 -13.690 11.639 1.00 0.00 O ATOM 263 CB GLU A 22 -9.375 -14.997 10.462 1.00 0.00 C ATOM 264 CG GLU A 22 -8.090 -15.225 9.684 1.00 0.00 C ATOM 265 CD GLU A 22 -7.619 -16.665 9.745 1.00 0.00 C ATOM 266 OE1 GLU A 22 -7.488 -17.198 10.867 1.00 0.00 O ATOM 267 OE2 GLU A 22 -7.380 -17.258 8.673 1.00 0.00 O ATOM 0 H GLU A 22 -8.469 -13.675 12.344 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.300 -12.940 9.839 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.290 -15.479 11.436 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.198 -15.482 9.937 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.245 -14.941 8.643 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.310 -14.574 10.079 1.00 0.00 H new ATOM 274 N GLY A 23 -11.756 -12.762 9.595 1.00 0.00 N ATOM 275 CA GLY A 23 -13.187 -12.535 9.499 1.00 0.00 C ATOM 276 C GLY A 23 -13.590 -11.164 10.004 1.00 0.00 C ATOM 277 O GLY A 23 -14.613 -10.618 9.590 1.00 0.00 O ATOM 0 H GLY A 23 -11.218 -12.455 8.785 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.500 -12.643 8.461 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.713 -13.299 10.072 1.00 0.00 H new ATOM 281 N LYS A 24 -12.786 -10.605 10.902 1.00 0.00 N ATOM 282 CA LYS A 24 -13.065 -9.289 11.465 1.00 0.00 C ATOM 283 C LYS A 24 -12.825 -8.194 10.431 1.00 0.00 C ATOM 284 O LYS A 24 -12.411 -8.470 9.306 1.00 0.00 O ATOM 285 CB LYS A 24 -12.190 -9.043 12.696 1.00 0.00 C ATOM 286 CG LYS A 24 -12.348 -10.100 13.776 1.00 0.00 C ATOM 287 CD LYS A 24 -13.652 -9.930 14.536 1.00 0.00 C ATOM 288 CE LYS A 24 -14.779 -10.727 13.897 1.00 0.00 C ATOM 289 NZ LYS A 24 -15.790 -11.161 14.900 1.00 0.00 N ATOM 0 H LYS A 24 -11.935 -11.043 11.256 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.114 -9.262 11.761 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.145 -9.005 12.387 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.434 -8.067 13.116 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.316 -11.091 13.324 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.510 -10.040 14.471 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.517 -10.253 15.568 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.922 -8.874 14.565 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.264 -10.121 13.132 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.366 -11.602 13.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.541 -11.701 14.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.333 -11.761 15.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.203 -10.325 15.361 1.00 0.00 H new ATOM 303 N GLU A 25 -13.087 -6.950 10.822 1.00 0.00 N ATOM 304 CA GLU A 25 -12.899 -5.814 9.927 1.00 0.00 C ATOM 305 C GLU A 25 -11.928 -4.802 10.530 1.00 0.00 C ATOM 306 O GLU A 25 -11.897 -4.602 11.744 1.00 0.00 O ATOM 307 CB GLU A 25 -14.241 -5.138 9.636 1.00 0.00 C ATOM 308 CG GLU A 25 -15.366 -6.118 9.349 1.00 0.00 C ATOM 309 CD GLU A 25 -15.815 -6.870 10.587 1.00 0.00 C ATOM 310 OE1 GLU A 25 -16.097 -6.214 11.611 1.00 0.00 O ATOM 311 OE2 GLU A 25 -15.884 -8.116 10.530 1.00 0.00 O ATOM 0 H GLU A 25 -13.429 -6.704 11.751 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.477 -6.186 8.993 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -14.519 -4.519 10.489 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -14.125 -4.471 8.782 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -16.215 -5.578 8.929 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -15.037 -6.832 8.594 1.00 0.00 H new ATOM 318 N VAL A 26 -11.136 -4.168 9.672 1.00 0.00 N ATOM 319 CA VAL A 26 -10.164 -3.177 10.118 1.00 0.00 C ATOM 320 C VAL A 26 -10.335 -1.862 9.366 1.00 0.00 C ATOM 321 O VAL A 26 -10.224 -1.816 8.140 1.00 0.00 O ATOM 322 CB VAL A 26 -8.721 -3.680 9.927 1.00 0.00 C ATOM 323 CG1 VAL A 26 -7.729 -2.543 10.117 1.00 0.00 C ATOM 324 CG2 VAL A 26 -8.425 -4.823 10.887 1.00 0.00 C ATOM 0 H VAL A 26 -11.148 -4.323 8.664 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.346 -3.012 11.180 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.617 -4.054 8.909 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.715 -2.918 9.978 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.929 -1.759 9.386 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.831 -2.136 11.123 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.401 -5.167 10.739 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.547 -4.477 11.913 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.115 -5.645 10.697 1.00 0.00 H new ATOM 334 N LEU A 27 -10.606 -0.793 10.108 1.00 0.00 N ATOM 335 CA LEU A 27 -10.792 0.525 9.512 1.00 0.00 C ATOM 336 C LEU A 27 -9.499 1.333 9.561 1.00 0.00 C ATOM 337 O LEU A 27 -9.028 1.704 10.637 1.00 0.00 O ATOM 338 CB LEU A 27 -11.908 1.281 10.236 1.00 0.00 C ATOM 339 CG LEU A 27 -11.997 2.780 9.950 1.00 0.00 C ATOM 340 CD1 LEU A 27 -12.911 3.044 8.763 1.00 0.00 C ATOM 341 CD2 LEU A 27 -12.489 3.529 11.180 1.00 0.00 C ATOM 0 H LEU A 27 -10.702 -0.814 11.123 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.073 0.388 8.468 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.861 0.823 9.971 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.776 1.143 11.309 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.999 3.143 9.702 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.962 4.116 8.574 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.517 2.539 7.881 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.910 2.666 8.982 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.546 4.595 10.958 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.477 3.163 11.458 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -11.796 3.367 12.006 1.00 0.00 H new ATOM 353 N LEU A 28 -8.932 1.604 8.391 1.00 0.00 N ATOM 354 CA LEU A 28 -7.694 2.370 8.300 1.00 0.00 C ATOM 355 C LEU A 28 -7.984 3.866 8.232 1.00 0.00 C ATOM 356 O LEU A 28 -8.228 4.414 7.156 1.00 0.00 O ATOM 357 CB LEU A 28 -6.892 1.938 7.071 1.00 0.00 C ATOM 358 CG LEU A 28 -6.326 0.518 7.105 1.00 0.00 C ATOM 359 CD1 LEU A 28 -5.728 0.150 5.756 1.00 0.00 C ATOM 360 CD2 LEU A 28 -5.283 0.386 8.206 1.00 0.00 C ATOM 0 H LEU A 28 -9.310 1.305 7.492 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.107 2.172 9.197 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.531 2.032 6.193 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.064 2.635 6.939 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.141 -0.173 7.319 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.330 -0.864 5.799 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.500 0.205 4.989 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.925 0.845 5.512 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.891 -0.631 8.216 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.469 1.087 8.022 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.741 0.607 9.170 1.00 0.00 H new ATOM 372 N LEU A 29 -7.953 4.523 9.387 1.00 0.00 N ATOM 373 CA LEU A 29 -8.210 5.957 9.458 1.00 0.00 C ATOM 374 C LEU A 29 -7.029 6.750 8.906 1.00 0.00 C ATOM 375 O LEU A 29 -5.897 6.267 8.888 1.00 0.00 O ATOM 376 CB LEU A 29 -8.487 6.374 10.904 1.00 0.00 C ATOM 377 CG LEU A 29 -9.950 6.331 11.346 1.00 0.00 C ATOM 378 CD1 LEU A 29 -10.059 6.519 12.851 1.00 0.00 C ATOM 379 CD2 LEU A 29 -10.759 7.392 10.614 1.00 0.00 C ATOM 0 H LEU A 29 -7.753 4.085 10.286 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.087 6.175 8.848 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.910 5.727 11.565 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.115 7.389 11.046 1.00 0.00 H new ATOM 0 HG LEU A 29 -10.358 5.352 11.093 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.108 6.485 13.147 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.513 5.723 13.358 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.634 7.484 13.129 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -11.798 7.347 10.941 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -10.351 8.378 10.836 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -10.708 7.212 9.540 1.00 0.00 H new ATOM 391 N VAL A 30 -7.302 7.971 8.458 1.00 0.00 N ATOM 392 CA VAL A 30 -6.262 8.833 7.909 1.00 0.00 C ATOM 393 C VAL A 30 -6.235 10.183 8.618 1.00 0.00 C ATOM 394 O VAL A 30 -7.260 10.856 8.734 1.00 0.00 O ATOM 395 CB VAL A 30 -6.463 9.063 6.399 1.00 0.00 C ATOM 396 CG1 VAL A 30 -5.150 9.454 5.738 1.00 0.00 C ATOM 397 CG2 VAL A 30 -7.050 7.821 5.745 1.00 0.00 C ATOM 0 H VAL A 30 -8.234 8.386 8.464 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.312 8.323 8.069 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.167 9.884 6.265 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.312 9.612 4.672 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.776 10.373 6.188 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.420 8.657 5.880 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.185 8.001 4.679 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.372 6.980 5.888 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.014 7.591 6.200 1.00 0.00 H new ATOM 407 N HIS A 31 -5.056 10.573 9.090 1.00 0.00 N ATOM 408 CA HIS A 31 -4.894 11.844 9.788 1.00 0.00 C ATOM 409 C HIS A 31 -4.023 12.801 8.979 1.00 0.00 C ATOM 410 O HIS A 31 -3.327 12.389 8.052 1.00 0.00 O ATOM 411 CB HIS A 31 -4.278 11.618 11.168 1.00 0.00 C ATOM 412 CG HIS A 31 -4.811 10.408 11.872 1.00 0.00 C ATOM 413 ND1 HIS A 31 -6.157 10.194 12.086 1.00 0.00 N ATOM 414 CD2 HIS A 31 -4.173 9.342 12.409 1.00 0.00 C ATOM 415 CE1 HIS A 31 -6.322 9.051 12.727 1.00 0.00 C ATOM 416 NE2 HIS A 31 -5.134 8.514 12.934 1.00 0.00 N ATOM 0 H HIS A 31 -4.198 10.028 9.002 1.00 0.00 H new ATOM 0 HA HIS A 31 -5.880 12.292 9.908 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -3.198 11.520 11.063 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -4.460 12.497 11.786 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -6.907 10.820 11.795 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -3.106 9.174 12.422 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -7.268 8.628 13.030 1.00 0.00 H new ATOM 425 N ASN A 32 -4.069 14.080 9.337 1.00 0.00 N ATOM 426 CA ASN A 32 -3.285 15.096 8.643 1.00 0.00 C ATOM 427 C ASN A 32 -3.671 15.169 7.169 1.00 0.00 C ATOM 428 O ASN A 32 -2.875 15.588 6.327 1.00 0.00 O ATOM 429 CB ASN A 32 -1.790 14.795 8.776 1.00 0.00 C ATOM 430 CG ASN A 32 -1.313 14.864 10.214 1.00 0.00 C ATOM 431 OD1 ASN A 32 -1.680 15.772 10.959 1.00 0.00 O ATOM 432 ND2 ASN A 32 -0.488 13.901 10.609 1.00 0.00 N ATOM 0 H ASN A 32 -4.640 14.438 10.103 1.00 0.00 H new ATOM 0 HA ASN A 32 -3.498 16.061 9.104 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.585 13.802 8.375 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.224 15.505 8.174 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.132 13.895 11.565 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.210 13.168 9.957 1.00 0.00 H new ATOM 439 N LEU A 33 -4.897 14.759 6.864 1.00 0.00 N ATOM 440 CA LEU A 33 -5.391 14.778 5.491 1.00 0.00 C ATOM 441 C LEU A 33 -5.152 16.139 4.845 1.00 0.00 C ATOM 442 O LEU A 33 -4.939 17.145 5.522 1.00 0.00 O ATOM 443 CB LEU A 33 -6.882 14.440 5.459 1.00 0.00 C ATOM 444 CG LEU A 33 -7.232 12.955 5.354 1.00 0.00 C ATOM 445 CD1 LEU A 33 -8.720 12.739 5.582 1.00 0.00 C ATOM 446 CD2 LEU A 33 -6.812 12.403 4.000 1.00 0.00 C ATOM 0 H LEU A 33 -5.568 14.409 7.548 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.843 14.026 4.924 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.344 14.838 6.362 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.334 14.960 4.614 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.686 12.417 6.129 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.950 11.676 5.503 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.992 13.096 6.575 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.287 13.289 4.831 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.069 11.345 3.943 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.330 12.945 3.209 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.736 12.522 3.876 1.00 0.00 H new ATOM 458 N PRO A 34 -5.191 16.174 3.505 1.00 0.00 N ATOM 459 CA PRO A 34 -4.984 17.406 2.739 1.00 0.00 C ATOM 460 C PRO A 34 -6.141 18.387 2.895 1.00 0.00 C ATOM 461 O PRO A 34 -6.995 18.219 3.765 1.00 0.00 O ATOM 462 CB PRO A 34 -4.892 16.913 1.292 1.00 0.00 C ATOM 463 CG PRO A 34 -5.651 15.631 1.280 1.00 0.00 C ATOM 464 CD PRO A 34 -5.440 15.012 2.635 1.00 0.00 C ATOM 0 HA PRO A 34 -4.102 17.951 3.075 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.324 17.635 0.599 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -3.856 16.762 0.990 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.710 15.806 1.092 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.292 14.972 0.490 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.314 14.447 2.959 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.596 14.322 2.635 1.00 0.00 H new ATOM 472 N GLN A 35 -6.163 19.410 2.046 1.00 0.00 N ATOM 473 CA GLN A 35 -7.216 20.417 2.092 1.00 0.00 C ATOM 474 C GLN A 35 -8.361 20.050 1.153 1.00 0.00 C ATOM 475 O GLN A 35 -9.526 20.050 1.551 1.00 0.00 O ATOM 476 CB GLN A 35 -6.654 21.790 1.718 1.00 0.00 C ATOM 477 CG GLN A 35 -5.982 21.821 0.355 1.00 0.00 C ATOM 478 CD GLN A 35 -5.331 23.157 0.055 1.00 0.00 C ATOM 479 OE1 GLN A 35 -6.009 24.177 -0.068 1.00 0.00 O ATOM 480 NE2 GLN A 35 -4.008 23.159 -0.063 1.00 0.00 N ATOM 0 H GLN A 35 -5.464 19.563 1.319 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.603 20.456 3.110 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.463 22.521 1.732 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.934 22.097 2.476 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.228 21.035 0.308 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.721 21.600 -0.415 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.485 22.290 0.047 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.515 24.029 -0.263 1.00 0.00 H new ATOM 489 N ASP A 36 -8.021 19.739 -0.093 1.00 0.00 N ATOM 490 CA ASP A 36 -9.021 19.370 -1.088 1.00 0.00 C ATOM 491 C ASP A 36 -8.626 18.081 -1.803 1.00 0.00 C ATOM 492 O ASP A 36 -8.014 18.097 -2.871 1.00 0.00 O ATOM 493 CB ASP A 36 -9.200 20.498 -2.105 1.00 0.00 C ATOM 494 CG ASP A 36 -9.612 21.804 -1.456 1.00 0.00 C ATOM 495 OD1 ASP A 36 -10.809 21.953 -1.129 1.00 0.00 O ATOM 496 OD2 ASP A 36 -8.739 22.676 -1.272 1.00 0.00 O ATOM 0 H ASP A 36 -7.061 19.735 -0.438 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.967 19.203 -0.572 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.267 20.645 -2.648 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.953 20.207 -2.837 1.00 0.00 H new ATOM 501 N PRO A 37 -8.982 16.937 -1.200 1.00 0.00 N ATOM 502 CA PRO A 37 -8.675 15.618 -1.761 1.00 0.00 C ATOM 503 C PRO A 37 -9.482 15.321 -3.020 1.00 0.00 C ATOM 504 O PRO A 37 -10.527 14.672 -2.960 1.00 0.00 O ATOM 505 CB PRO A 37 -9.064 14.655 -0.637 1.00 0.00 C ATOM 506 CG PRO A 37 -10.092 15.389 0.152 1.00 0.00 C ATOM 507 CD PRO A 37 -9.713 16.843 0.075 1.00 0.00 C ATOM 0 HA PRO A 37 -7.632 15.538 -2.067 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.463 13.722 -1.035 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.202 14.397 -0.021 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.089 15.223 -0.256 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.110 15.045 1.186 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.591 17.488 0.083 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.090 17.141 0.918 1.00 0.00 H new ATOM 515 N ARG A 38 -8.991 15.799 -4.159 1.00 0.00 N ATOM 516 CA ARG A 38 -9.667 15.584 -5.432 1.00 0.00 C ATOM 517 C ARG A 38 -10.213 14.162 -5.526 1.00 0.00 C ATOM 518 O ARG A 38 -11.277 13.931 -6.098 1.00 0.00 O ATOM 519 CB ARG A 38 -8.709 15.852 -6.595 1.00 0.00 C ATOM 520 CG ARG A 38 -9.407 16.302 -7.868 1.00 0.00 C ATOM 521 CD ARG A 38 -8.408 16.763 -8.917 1.00 0.00 C ATOM 522 NE ARG A 38 -9.044 17.007 -10.209 1.00 0.00 N ATOM 523 CZ ARG A 38 -8.570 17.856 -11.114 1.00 0.00 C ATOM 524 NH1 ARG A 38 -7.460 18.539 -10.869 1.00 0.00 N ATOM 525 NH2 ARG A 38 -9.205 18.023 -12.266 1.00 0.00 N ATOM 0 H ARG A 38 -8.127 16.338 -4.226 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.504 16.280 -5.491 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.991 16.616 -6.295 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.141 14.945 -6.803 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.003 15.481 -8.267 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.097 17.114 -7.639 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.919 17.675 -8.576 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.630 16.009 -9.033 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.900 16.497 -10.429 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.968 18.413 -9.984 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.098 19.190 -11.565 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.059 17.499 -12.458 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.840 18.675 -12.960 1.00 0.00 H new ATOM 539 N GLY A 39 -9.475 13.212 -4.959 1.00 0.00 N ATOM 540 CA GLY A 39 -9.901 11.825 -4.990 1.00 0.00 C ATOM 541 C GLY A 39 -8.941 10.908 -4.259 1.00 0.00 C ATOM 542 O GLY A 39 -7.734 11.152 -4.235 1.00 0.00 O ATOM 0 H GLY A 39 -8.590 13.378 -4.479 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.891 11.742 -4.541 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.992 11.499 -6.026 1.00 0.00 H new ATOM 546 N TYR A 40 -9.476 9.851 -3.659 1.00 0.00 N ATOM 547 CA TYR A 40 -8.659 8.896 -2.920 1.00 0.00 C ATOM 548 C TYR A 40 -8.330 7.680 -3.780 1.00 0.00 C ATOM 549 O TYR A 40 -9.096 7.308 -4.668 1.00 0.00 O ATOM 550 CB TYR A 40 -9.381 8.453 -1.646 1.00 0.00 C ATOM 551 CG TYR A 40 -9.944 9.601 -0.839 1.00 0.00 C ATOM 552 CD1 TYR A 40 -9.128 10.643 -0.414 1.00 0.00 C ATOM 553 CD2 TYR A 40 -11.291 9.645 -0.501 1.00 0.00 C ATOM 554 CE1 TYR A 40 -9.638 11.693 0.325 1.00 0.00 C ATOM 555 CE2 TYR A 40 -11.809 10.692 0.236 1.00 0.00 C ATOM 556 CZ TYR A 40 -10.979 11.713 0.647 1.00 0.00 C ATOM 557 OH TYR A 40 -11.490 12.758 1.381 1.00 0.00 O ATOM 0 H TYR A 40 -10.473 9.634 -3.670 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.726 9.389 -2.648 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -10.192 7.776 -1.915 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -8.688 7.888 -1.023 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -8.078 10.632 -0.666 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -11.944 8.847 -0.820 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -8.990 12.494 0.649 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -12.859 10.711 0.489 1.00 0.00 H new ATOM 0 HH TYR A 40 -12.296 12.462 1.854 1.00 0.00 H new ATOM 567 N ASN A 41 -7.184 7.064 -3.509 1.00 0.00 N ATOM 568 CA ASN A 41 -6.752 5.889 -4.257 1.00 0.00 C ATOM 569 C ASN A 41 -5.840 5.008 -3.408 1.00 0.00 C ATOM 570 O ASN A 41 -4.724 5.400 -3.068 1.00 0.00 O ATOM 571 CB ASN A 41 -6.026 6.311 -5.535 1.00 0.00 C ATOM 572 CG ASN A 41 -6.983 6.612 -6.672 1.00 0.00 C ATOM 573 OD1 ASN A 41 -7.416 5.709 -7.389 1.00 0.00 O ATOM 574 ND2 ASN A 41 -7.319 7.885 -6.842 1.00 0.00 N ATOM 0 H ASN A 41 -6.538 7.359 -2.777 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.638 5.313 -4.524 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.420 7.194 -5.331 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.342 5.519 -5.840 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -7.960 8.148 -7.591 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.936 8.600 -6.224 1.00 0.00 H new ATOM 581 N TRP A 42 -6.323 3.818 -3.071 1.00 0.00 N ATOM 582 CA TRP A 42 -5.551 2.881 -2.262 1.00 0.00 C ATOM 583 C TRP A 42 -4.803 1.888 -3.145 1.00 0.00 C ATOM 584 O TRP A 42 -5.164 1.678 -4.303 1.00 0.00 O ATOM 585 CB TRP A 42 -6.470 2.132 -1.296 1.00 0.00 C ATOM 586 CG TRP A 42 -6.964 2.982 -0.165 1.00 0.00 C ATOM 587 CD1 TRP A 42 -8.016 3.852 -0.192 1.00 0.00 C ATOM 588 CD2 TRP A 42 -6.422 3.046 1.159 1.00 0.00 C ATOM 589 NE1 TRP A 42 -8.162 4.452 1.036 1.00 0.00 N ATOM 590 CE2 TRP A 42 -7.197 3.973 1.882 1.00 0.00 C ATOM 591 CE3 TRP A 42 -5.359 2.407 1.804 1.00 0.00 C ATOM 592 CZ2 TRP A 42 -6.940 4.278 3.216 1.00 0.00 C ATOM 593 CZ3 TRP A 42 -5.105 2.711 3.128 1.00 0.00 C ATOM 594 CH2 TRP A 42 -5.893 3.638 3.823 1.00 0.00 C ATOM 0 H TRP A 42 -7.245 3.479 -3.345 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.820 3.451 -1.688 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.325 1.742 -1.848 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -5.935 1.274 -0.889 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.642 4.041 -1.052 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.873 5.142 1.278 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -4.748 1.689 1.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -7.545 4.994 3.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.285 2.226 3.636 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.670 3.852 4.858 1.00 0.00 H new ATOM 605 N TYR A 43 -3.760 1.281 -2.591 1.00 0.00 N ATOM 606 CA TYR A 43 -2.959 0.311 -3.329 1.00 0.00 C ATOM 607 C TYR A 43 -2.374 -0.740 -2.391 1.00 0.00 C ATOM 608 O TYR A 43 -2.354 -0.561 -1.173 1.00 0.00 O ATOM 609 CB TYR A 43 -1.833 1.019 -4.086 1.00 0.00 C ATOM 610 CG TYR A 43 -2.307 2.183 -4.926 1.00 0.00 C ATOM 611 CD1 TYR A 43 -2.395 3.462 -4.390 1.00 0.00 C ATOM 612 CD2 TYR A 43 -2.667 2.004 -6.256 1.00 0.00 C ATOM 613 CE1 TYR A 43 -2.828 4.529 -5.154 1.00 0.00 C ATOM 614 CE2 TYR A 43 -3.099 3.066 -7.028 1.00 0.00 C ATOM 615 CZ TYR A 43 -3.178 4.325 -6.472 1.00 0.00 C ATOM 616 OH TYR A 43 -3.610 5.385 -7.237 1.00 0.00 O ATOM 0 H TYR A 43 -3.449 1.443 -1.633 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.610 -0.190 -4.045 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.093 1.376 -3.369 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.330 0.298 -4.730 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.120 3.625 -3.358 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.608 1.019 -6.694 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.892 5.517 -4.721 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.373 2.910 -8.061 1.00 0.00 H new ATOM 0 HH TYR A 43 -4.438 5.138 -7.700 1.00 0.00 H new ATOM 626 N LYS A 44 -1.898 -1.839 -2.968 1.00 0.00 N ATOM 627 CA LYS A 44 -1.310 -2.920 -2.186 1.00 0.00 C ATOM 628 C LYS A 44 0.209 -2.923 -2.318 1.00 0.00 C ATOM 629 O LYS A 44 0.750 -3.279 -3.363 1.00 0.00 O ATOM 630 CB LYS A 44 -1.875 -4.269 -2.638 1.00 0.00 C ATOM 631 CG LYS A 44 -1.716 -5.371 -1.605 1.00 0.00 C ATOM 632 CD LYS A 44 -2.502 -6.613 -1.991 1.00 0.00 C ATOM 633 CE LYS A 44 -2.576 -7.605 -0.840 1.00 0.00 C ATOM 634 NZ LYS A 44 -3.746 -7.344 0.044 1.00 0.00 N ATOM 0 H LYS A 44 -1.908 -2.004 -3.975 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.565 -2.758 -1.139 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.933 -4.151 -2.871 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.378 -4.572 -3.559 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.661 -5.624 -1.501 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.055 -5.012 -0.633 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.510 -6.328 -2.293 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.034 -7.088 -2.853 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.640 -8.618 -1.237 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.659 -7.550 -0.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.412 -7.078 0.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.315 -6.569 -0.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.329 -8.202 0.110 1.00 0.00 H new ATOM 648 N GLY A 45 0.892 -2.524 -1.249 1.00 0.00 N ATOM 649 CA GLY A 45 2.343 -2.489 -1.266 1.00 0.00 C ATOM 650 C GLY A 45 2.905 -1.330 -0.468 1.00 0.00 C ATOM 651 O GLY A 45 2.168 -0.634 0.230 1.00 0.00 O ATOM 0 H GLY A 45 0.466 -2.224 -0.372 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.730 -3.425 -0.863 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.689 -2.418 -2.297 1.00 0.00 H new ATOM 655 N GLU A 46 4.214 -1.123 -0.569 1.00 0.00 N ATOM 656 CA GLU A 46 4.874 -0.041 0.152 1.00 0.00 C ATOM 657 C GLU A 46 5.158 1.137 -0.775 1.00 0.00 C ATOM 658 O GLU A 46 6.078 1.921 -0.539 1.00 0.00 O ATOM 659 CB GLU A 46 6.179 -0.537 0.779 1.00 0.00 C ATOM 660 CG GLU A 46 5.999 -1.142 2.161 1.00 0.00 C ATOM 661 CD GLU A 46 7.294 -1.688 2.731 1.00 0.00 C ATOM 662 OE1 GLU A 46 8.326 -0.992 2.632 1.00 0.00 O ATOM 663 OE2 GLU A 46 7.276 -2.811 3.277 1.00 0.00 O ATOM 0 H GLU A 46 4.838 -1.690 -1.143 1.00 0.00 H new ATOM 0 HA GLU A 46 4.204 0.295 0.943 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.628 -1.281 0.122 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.880 0.295 0.844 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.600 -0.385 2.836 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.262 -1.944 2.110 1.00 0.00 H new ATOM 670 N THR A 47 4.361 1.256 -1.832 1.00 0.00 N ATOM 671 CA THR A 47 4.526 2.336 -2.796 1.00 0.00 C ATOM 672 C THR A 47 3.372 2.366 -3.792 1.00 0.00 C ATOM 673 O THR A 47 2.639 1.387 -3.938 1.00 0.00 O ATOM 674 CB THR A 47 5.852 2.202 -3.568 1.00 0.00 C ATOM 675 OG1 THR A 47 5.724 2.790 -4.868 1.00 0.00 O ATOM 676 CG2 THR A 47 6.254 0.741 -3.705 1.00 0.00 C ATOM 0 H THR A 47 3.594 0.617 -2.042 1.00 0.00 H new ATOM 0 HA THR A 47 4.537 3.267 -2.229 1.00 0.00 H new ATOM 0 HB THR A 47 6.627 2.725 -3.007 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.572 2.702 -5.352 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.193 0.672 -4.254 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.379 0.304 -2.714 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.478 0.199 -4.245 1.00 0.00 H new ATOM 684 N VAL A 48 3.216 3.494 -4.477 1.00 0.00 N ATOM 685 CA VAL A 48 2.152 3.650 -5.461 1.00 0.00 C ATOM 686 C VAL A 48 2.237 2.574 -6.538 1.00 0.00 C ATOM 687 O VAL A 48 3.075 2.645 -7.437 1.00 0.00 O ATOM 688 CB VAL A 48 2.206 5.036 -6.131 1.00 0.00 C ATOM 689 CG1 VAL A 48 1.114 5.165 -7.182 1.00 0.00 C ATOM 690 CG2 VAL A 48 2.085 6.137 -5.088 1.00 0.00 C ATOM 0 H VAL A 48 3.813 4.314 -4.368 1.00 0.00 H new ATOM 0 HA VAL A 48 1.208 3.550 -4.925 1.00 0.00 H new ATOM 0 HB VAL A 48 3.170 5.142 -6.628 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.168 6.151 -7.644 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.251 4.399 -7.945 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.139 5.038 -6.711 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.125 7.109 -5.579 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.137 6.036 -4.560 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.907 6.056 -4.376 1.00 0.00 H new ATOM 700 N ASP A 49 1.363 1.578 -6.440 1.00 0.00 N ATOM 701 CA ASP A 49 1.338 0.486 -7.407 1.00 0.00 C ATOM 702 C ASP A 49 0.019 0.471 -8.174 1.00 0.00 C ATOM 703 O ASP A 49 -0.979 -0.071 -7.701 1.00 0.00 O ATOM 704 CB ASP A 49 1.547 -0.854 -6.700 1.00 0.00 C ATOM 705 CG ASP A 49 3.010 -1.238 -6.608 1.00 0.00 C ATOM 706 OD1 ASP A 49 3.694 -1.225 -7.654 1.00 0.00 O ATOM 707 OD2 ASP A 49 3.472 -1.552 -5.492 1.00 0.00 O ATOM 0 H ASP A 49 0.663 1.504 -5.702 1.00 0.00 H new ATOM 0 HA ASP A 49 2.149 0.643 -8.118 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.124 -0.802 -5.697 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.003 -1.632 -7.235 1.00 0.00 H new ATOM 712 N ALA A 50 0.024 1.070 -9.360 1.00 0.00 N ATOM 713 CA ALA A 50 -1.171 1.124 -10.193 1.00 0.00 C ATOM 714 C ALA A 50 -1.684 -0.277 -10.509 1.00 0.00 C ATOM 715 O ALA A 50 -2.890 -0.501 -10.595 1.00 0.00 O ATOM 716 CB ALA A 50 -0.884 1.886 -11.479 1.00 0.00 C ATOM 0 H ALA A 50 0.842 1.525 -9.766 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.948 1.650 -9.638 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.785 1.919 -12.091 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.572 2.902 -11.238 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.089 1.384 -12.030 1.00 0.00 H new ATOM 722 N ASN A 51 -0.759 -1.215 -10.683 1.00 0.00 N ATOM 723 CA ASN A 51 -1.118 -2.595 -10.991 1.00 0.00 C ATOM 724 C ASN A 51 -1.825 -3.250 -9.808 1.00 0.00 C ATOM 725 O ASN A 51 -2.646 -4.150 -9.984 1.00 0.00 O ATOM 726 CB ASN A 51 0.130 -3.398 -11.363 1.00 0.00 C ATOM 727 CG ASN A 51 0.765 -2.915 -12.652 1.00 0.00 C ATOM 728 OD1 ASN A 51 0.201 -2.082 -13.362 1.00 0.00 O ATOM 729 ND2 ASN A 51 1.946 -3.439 -12.962 1.00 0.00 N ATOM 0 H ASN A 51 0.245 -1.045 -10.616 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.802 -2.586 -11.840 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.858 -3.329 -10.554 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.135 -4.450 -11.464 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.422 -3.154 -13.818 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.377 -4.127 -12.344 1.00 0.00 H new ATOM 736 N ARG A 52 -1.500 -2.792 -8.604 1.00 0.00 N ATOM 737 CA ARG A 52 -2.103 -3.333 -7.392 1.00 0.00 C ATOM 738 C ARG A 52 -3.170 -2.389 -6.847 1.00 0.00 C ATOM 739 O ARG A 52 -3.502 -2.430 -5.662 1.00 0.00 O ATOM 740 CB ARG A 52 -1.031 -3.577 -6.328 1.00 0.00 C ATOM 741 CG ARG A 52 0.061 -4.536 -6.773 1.00 0.00 C ATOM 742 CD ARG A 52 -0.457 -5.962 -6.876 1.00 0.00 C ATOM 743 NE ARG A 52 0.555 -6.877 -7.396 1.00 0.00 N ATOM 744 CZ ARG A 52 0.272 -8.057 -7.936 1.00 0.00 C ATOM 745 NH1 ARG A 52 -0.987 -8.462 -8.027 1.00 0.00 N ATOM 746 NH2 ARG A 52 1.248 -8.833 -8.388 1.00 0.00 N ATOM 0 H ARG A 52 -0.822 -2.047 -8.442 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.577 -4.282 -7.645 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.577 -2.624 -6.056 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.506 -3.972 -5.430 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.453 -4.219 -7.740 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.890 -4.499 -6.066 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.781 -6.302 -5.892 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.332 -5.983 -7.525 1.00 0.00 H new ATOM 0 HE ARG A 52 1.534 -6.594 -7.342 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.740 -7.867 -7.682 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.202 -9.369 -8.442 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.218 -8.524 -8.321 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.029 -9.739 -8.802 1.00 0.00 H new ATOM 760 N ARG A 53 -3.702 -1.539 -7.719 1.00 0.00 N ATOM 761 CA ARG A 53 -4.730 -0.583 -7.324 1.00 0.00 C ATOM 762 C ARG A 53 -5.969 -1.303 -6.798 1.00 0.00 C ATOM 763 O ARG A 53 -6.721 -1.905 -7.564 1.00 0.00 O ATOM 764 CB ARG A 53 -5.110 0.308 -8.509 1.00 0.00 C ATOM 765 CG ARG A 53 -6.091 1.412 -8.150 1.00 0.00 C ATOM 766 CD ARG A 53 -6.566 2.158 -9.387 1.00 0.00 C ATOM 767 NE ARG A 53 -5.684 3.272 -9.726 1.00 0.00 N ATOM 768 CZ ARG A 53 -5.755 3.943 -10.871 1.00 0.00 C ATOM 769 NH1 ARG A 53 -6.661 3.614 -11.781 1.00 0.00 N ATOM 770 NH2 ARG A 53 -4.918 4.945 -11.107 1.00 0.00 N ATOM 0 H ARG A 53 -3.438 -1.493 -8.703 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.325 0.038 -6.525 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.206 0.757 -8.920 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.544 -0.311 -9.294 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.948 0.984 -7.630 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.617 2.112 -7.461 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.618 1.468 -10.229 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.576 2.533 -9.219 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.975 3.550 -9.047 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.306 2.844 -11.603 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.713 4.131 -12.659 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.219 5.201 -10.409 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.973 5.459 -11.986 1.00 0.00 H new ATOM 784 N ILE A 54 -6.173 -1.236 -5.487 1.00 0.00 N ATOM 785 CA ILE A 54 -7.320 -1.880 -4.859 1.00 0.00 C ATOM 786 C ILE A 54 -8.626 -1.234 -5.305 1.00 0.00 C ATOM 787 O ILE A 54 -9.491 -1.893 -5.882 1.00 0.00 O ATOM 788 CB ILE A 54 -7.228 -1.819 -3.323 1.00 0.00 C ATOM 789 CG1 ILE A 54 -5.891 -2.390 -2.846 1.00 0.00 C ATOM 790 CG2 ILE A 54 -8.388 -2.577 -2.693 1.00 0.00 C ATOM 791 CD1 ILE A 54 -5.528 -1.981 -1.436 1.00 0.00 C ATOM 0 H ILE A 54 -5.559 -0.742 -4.839 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.308 -2.923 -5.175 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.288 -0.776 -3.012 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.929 -3.478 -2.902 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.103 -2.064 -3.525 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.310 -2.525 -1.607 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.330 -2.130 -3.011 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.356 -3.620 -3.010 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.569 -2.422 -1.165 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.457 -0.895 -1.379 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.296 -2.331 -0.746 1.00 0.00 H new ATOM 803 N ILE A 55 -8.762 0.060 -5.036 1.00 0.00 N ATOM 804 CA ILE A 55 -9.962 0.797 -5.413 1.00 0.00 C ATOM 805 C ILE A 55 -9.713 2.302 -5.389 1.00 0.00 C ATOM 806 O ILE A 55 -8.903 2.795 -4.606 1.00 0.00 O ATOM 807 CB ILE A 55 -11.141 0.468 -4.479 1.00 0.00 C ATOM 808 CG1 ILE A 55 -12.445 1.027 -5.052 1.00 0.00 C ATOM 809 CG2 ILE A 55 -10.886 1.026 -3.087 1.00 0.00 C ATOM 810 CD1 ILE A 55 -13.672 0.250 -4.628 1.00 0.00 C ATOM 0 H ILE A 55 -8.056 0.620 -4.558 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.216 0.489 -6.427 1.00 0.00 H new ATOM 0 HB ILE A 55 -11.234 -0.615 -4.403 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -12.555 2.065 -4.738 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -12.383 1.028 -6.140 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.728 0.785 -2.439 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -9.976 0.585 -2.679 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.770 2.108 -3.144 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -14.560 0.702 -5.071 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -13.583 -0.783 -4.966 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -13.758 0.270 -3.542 1.00 0.00 H new ATOM 822 N GLY A 56 -10.418 3.026 -6.253 1.00 0.00 N ATOM 823 CA GLY A 56 -10.262 4.468 -6.314 1.00 0.00 C ATOM 824 C GLY A 56 -11.591 5.196 -6.316 1.00 0.00 C ATOM 825 O GLY A 56 -12.553 4.744 -6.937 1.00 0.00 O ATOM 0 H GLY A 56 -11.094 2.640 -6.912 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.670 4.802 -5.462 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.705 4.732 -7.213 1.00 0.00 H new ATOM 829 N TYR A 57 -11.646 6.325 -5.618 1.00 0.00 N ATOM 830 CA TYR A 57 -12.869 7.115 -5.538 1.00 0.00 C ATOM 831 C TYR A 57 -12.586 8.587 -5.822 1.00 0.00 C ATOM 832 O TYR A 57 -11.563 9.127 -5.402 1.00 0.00 O ATOM 833 CB TYR A 57 -13.508 6.965 -4.156 1.00 0.00 C ATOM 834 CG TYR A 57 -14.545 8.022 -3.851 1.00 0.00 C ATOM 835 CD1 TYR A 57 -15.791 8.000 -4.467 1.00 0.00 C ATOM 836 CD2 TYR A 57 -14.279 9.043 -2.947 1.00 0.00 C ATOM 837 CE1 TYR A 57 -16.741 8.965 -4.191 1.00 0.00 C ATOM 838 CE2 TYR A 57 -15.224 10.011 -2.665 1.00 0.00 C ATOM 839 CZ TYR A 57 -16.453 9.967 -3.289 1.00 0.00 C ATOM 840 OH TYR A 57 -17.396 10.930 -3.012 1.00 0.00 O ATOM 0 H TYR A 57 -10.858 6.714 -5.100 1.00 0.00 H new ATOM 0 HA TYR A 57 -13.561 6.744 -6.294 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -13.972 5.981 -4.084 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.726 7.005 -3.397 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -16.020 7.216 -5.173 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -13.318 9.081 -2.456 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -17.704 8.934 -4.679 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -15.001 10.798 -1.960 1.00 0.00 H new ATOM 0 HH TYR A 57 -17.035 11.562 -2.355 1.00 0.00 H new ATOM 850 N VAL A 58 -13.502 9.231 -6.539 1.00 0.00 N ATOM 851 CA VAL A 58 -13.354 10.641 -6.879 1.00 0.00 C ATOM 852 C VAL A 58 -14.470 11.475 -6.262 1.00 0.00 C ATOM 853 O VAL A 58 -15.648 11.266 -6.552 1.00 0.00 O ATOM 854 CB VAL A 58 -13.352 10.853 -8.404 1.00 0.00 C ATOM 855 CG1 VAL A 58 -12.965 12.284 -8.744 1.00 0.00 C ATOM 856 CG2 VAL A 58 -12.414 9.863 -9.079 1.00 0.00 C ATOM 0 H VAL A 58 -14.354 8.798 -6.895 1.00 0.00 H new ATOM 0 HA VAL A 58 -12.396 10.966 -6.473 1.00 0.00 H new ATOM 0 HB VAL A 58 -14.360 10.676 -8.779 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.969 12.415 -9.826 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -13.681 12.971 -8.293 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.968 12.493 -8.357 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -12.425 10.028 -10.156 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -11.402 10.005 -8.701 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -12.742 8.846 -8.864 1.00 0.00 H new ATOM 866 N ILE A 59 -14.092 12.422 -5.410 1.00 0.00 N ATOM 867 CA ILE A 59 -15.061 13.290 -4.753 1.00 0.00 C ATOM 868 C ILE A 59 -15.669 14.281 -5.739 1.00 0.00 C ATOM 869 O ILE A 59 -16.850 14.618 -5.649 1.00 0.00 O ATOM 870 CB ILE A 59 -14.422 14.069 -3.588 1.00 0.00 C ATOM 871 CG1 ILE A 59 -13.959 13.105 -2.494 1.00 0.00 C ATOM 872 CG2 ILE A 59 -15.405 15.084 -3.026 1.00 0.00 C ATOM 873 CD1 ILE A 59 -12.840 13.654 -1.638 1.00 0.00 C ATOM 0 H ILE A 59 -13.121 12.608 -5.159 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.846 12.644 -4.360 1.00 0.00 H new ATOM 0 HB ILE A 59 -13.552 14.606 -3.965 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -14.807 12.859 -1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -13.629 12.175 -2.957 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -14.938 15.626 -2.204 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -15.689 15.787 -3.809 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -16.293 14.567 -2.662 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -12.563 12.917 -0.884 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -11.976 13.873 -2.265 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -13.173 14.568 -1.146 1.00 0.00 H new ATOM 885 N SER A 60 -14.855 14.744 -6.682 1.00 0.00 N ATOM 886 CA SER A 60 -15.312 15.699 -7.686 1.00 0.00 C ATOM 887 C SER A 60 -16.431 15.102 -8.534 1.00 0.00 C ATOM 888 O SER A 60 -17.350 15.804 -8.951 1.00 0.00 O ATOM 889 CB SER A 60 -14.148 16.124 -8.583 1.00 0.00 C ATOM 890 OG SER A 60 -14.596 16.953 -9.641 1.00 0.00 O ATOM 0 H SER A 60 -13.876 14.474 -6.772 1.00 0.00 H new ATOM 0 HA SER A 60 -15.701 16.576 -7.168 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.403 16.656 -7.990 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.658 15.240 -8.992 1.00 0.00 H new ATOM 0 HG SER A 60 -13.833 17.212 -10.199 1.00 0.00 H new ATOM 896 N ASN A 61 -16.344 13.799 -8.784 1.00 0.00 N ATOM 897 CA ASN A 61 -17.349 13.106 -9.583 1.00 0.00 C ATOM 898 C ASN A 61 -18.027 12.008 -8.770 1.00 0.00 C ATOM 899 O ASN A 61 -18.747 11.173 -9.317 1.00 0.00 O ATOM 900 CB ASN A 61 -16.708 12.507 -10.836 1.00 0.00 C ATOM 901 CG ASN A 61 -17.726 11.842 -11.743 1.00 0.00 C ATOM 902 OD1 ASN A 61 -17.386 10.661 -12.247 1.00 0.00 O flip ATOM 903 ND2 ASN A 61 -18.804 12.383 -11.988 1.00 0.00 N flip ATOM 0 H ASN A 61 -15.589 13.203 -8.445 1.00 0.00 H new ATOM 0 HA ASN A 61 -18.105 13.832 -9.881 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -16.192 13.292 -11.388 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.955 11.776 -10.542 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -19.024 13.291 -11.579 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -19.478 11.923 -12.600 1.00 0.00 H new ATOM 910 N GLN A 62 -17.793 12.017 -7.462 1.00 0.00 N ATOM 911 CA GLN A 62 -18.382 11.022 -6.574 1.00 0.00 C ATOM 912 C GLN A 62 -18.503 9.672 -7.273 1.00 0.00 C ATOM 913 O GLN A 62 -19.495 8.963 -7.105 1.00 0.00 O ATOM 914 CB GLN A 62 -19.758 11.486 -6.093 1.00 0.00 C ATOM 915 CG GLN A 62 -19.711 12.742 -5.238 1.00 0.00 C ATOM 916 CD GLN A 62 -20.992 12.964 -4.458 1.00 0.00 C ATOM 917 OE1 GLN A 62 -22.091 12.751 -4.972 1.00 0.00 O ATOM 918 NE2 GLN A 62 -20.858 13.394 -3.209 1.00 0.00 N ATOM 0 H GLN A 62 -17.200 12.702 -6.994 1.00 0.00 H new ATOM 0 HA GLN A 62 -17.724 10.907 -5.712 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -20.394 11.670 -6.959 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -20.223 10.684 -5.520 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -18.874 12.673 -4.543 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -19.525 13.605 -5.877 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -19.928 13.558 -2.823 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -21.685 13.561 -2.636 1.00 0.00 H new ATOM 927 N GLN A 63 -17.489 9.325 -8.059 1.00 0.00 N ATOM 928 CA GLN A 63 -17.483 8.060 -8.784 1.00 0.00 C ATOM 929 C GLN A 63 -16.509 7.073 -8.151 1.00 0.00 C ATOM 930 O GLN A 63 -15.540 7.471 -7.504 1.00 0.00 O ATOM 931 CB GLN A 63 -17.113 8.291 -10.251 1.00 0.00 C ATOM 932 CG GLN A 63 -17.048 7.012 -11.070 1.00 0.00 C ATOM 933 CD GLN A 63 -16.830 7.276 -12.547 1.00 0.00 C ATOM 934 OE1 GLN A 63 -17.573 8.035 -13.170 1.00 0.00 O ATOM 935 NE2 GLN A 63 -15.806 6.651 -13.116 1.00 0.00 N ATOM 0 H GLN A 63 -16.661 9.902 -8.210 1.00 0.00 H new ATOM 0 HA GLN A 63 -18.486 7.636 -8.731 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -17.844 8.963 -10.700 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.147 8.793 -10.299 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -16.240 6.385 -10.694 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -17.974 6.453 -10.937 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.216 6.031 -12.562 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -15.610 6.791 -14.107 1.00 0.00 H new ATOM 944 N ILE A 64 -16.772 5.784 -8.341 1.00 0.00 N ATOM 945 CA ILE A 64 -15.918 4.741 -7.789 1.00 0.00 C ATOM 946 C ILE A 64 -15.465 3.769 -8.874 1.00 0.00 C ATOM 947 O ILE A 64 -16.285 3.198 -9.594 1.00 0.00 O ATOM 948 CB ILE A 64 -16.637 3.953 -6.678 1.00 0.00 C ATOM 949 CG1 ILE A 64 -17.019 4.886 -5.527 1.00 0.00 C ATOM 950 CG2 ILE A 64 -15.756 2.819 -6.177 1.00 0.00 C ATOM 951 CD1 ILE A 64 -18.002 4.274 -4.553 1.00 0.00 C ATOM 0 H ILE A 64 -17.570 5.438 -8.873 1.00 0.00 H new ATOM 0 HA ILE A 64 -15.047 5.240 -7.364 1.00 0.00 H new ATOM 0 HB ILE A 64 -17.549 3.523 -7.091 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -16.116 5.173 -4.988 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -17.448 5.800 -5.938 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -16.278 2.272 -5.392 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -15.529 2.143 -7.001 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -14.828 3.228 -5.778 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -18.227 4.992 -3.764 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -18.920 4.013 -5.079 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -17.568 3.376 -4.114 1.00 0.00 H new ATOM 963 N THR A 65 -14.154 3.584 -8.985 1.00 0.00 N ATOM 964 CA THR A 65 -13.591 2.681 -9.981 1.00 0.00 C ATOM 965 C THR A 65 -12.659 1.662 -9.335 1.00 0.00 C ATOM 966 O THR A 65 -11.498 1.946 -9.040 1.00 0.00 O ATOM 967 CB THR A 65 -12.816 3.453 -11.065 1.00 0.00 C ATOM 968 OG1 THR A 65 -13.612 4.537 -11.557 1.00 0.00 O ATOM 969 CG2 THR A 65 -12.435 2.534 -12.216 1.00 0.00 C ATOM 0 H THR A 65 -13.461 4.048 -8.397 1.00 0.00 H new ATOM 0 HA THR A 65 -14.429 2.160 -10.445 1.00 0.00 H new ATOM 0 HB THR A 65 -11.903 3.846 -10.618 1.00 0.00 H new ATOM 0 HG1 THR A 65 -13.112 5.024 -12.245 1.00 0.00 H new ATOM 0 HG21 THR A 65 -11.889 3.102 -12.969 1.00 0.00 H new ATOM 0 HG22 THR A 65 -11.806 1.726 -11.843 1.00 0.00 H new ATOM 0 HG23 THR A 65 -13.337 2.115 -12.661 1.00 0.00 H new ATOM 977 N PRO A 66 -13.177 0.445 -9.109 1.00 0.00 N ATOM 978 CA PRO A 66 -12.407 -0.642 -8.497 1.00 0.00 C ATOM 979 C PRO A 66 -11.315 -1.170 -9.420 1.00 0.00 C ATOM 980 O PRO A 66 -11.538 -1.366 -10.614 1.00 0.00 O ATOM 981 CB PRO A 66 -13.460 -1.723 -8.242 1.00 0.00 C ATOM 982 CG PRO A 66 -14.529 -1.455 -9.245 1.00 0.00 C ATOM 983 CD PRO A 66 -14.554 0.036 -9.435 1.00 0.00 C ATOM 0 HA PRO A 66 -11.885 -0.315 -7.598 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.041 -2.721 -8.367 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -13.848 -1.666 -7.225 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.319 -1.965 -10.185 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -15.494 -1.820 -8.894 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.822 0.306 -10.456 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -15.281 0.513 -8.778 1.00 0.00 H new ATOM 991 N GLY A 67 -10.131 -1.400 -8.859 1.00 0.00 N ATOM 992 CA GLY A 67 -9.022 -1.904 -9.648 1.00 0.00 C ATOM 993 C GLY A 67 -8.941 -3.418 -9.633 1.00 0.00 C ATOM 994 O GLY A 67 -9.865 -4.106 -9.199 1.00 0.00 O ATOM 0 H GLY A 67 -9.921 -1.246 -7.873 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.125 -1.559 -10.677 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.090 -1.489 -9.265 1.00 0.00 H new ATOM 998 N PRO A 68 -7.813 -3.958 -10.117 1.00 0.00 N ATOM 999 CA PRO A 68 -7.588 -5.406 -10.170 1.00 0.00 C ATOM 1000 C PRO A 68 -7.401 -6.014 -8.784 1.00 0.00 C ATOM 1001 O PRO A 68 -7.693 -7.190 -8.567 1.00 0.00 O ATOM 1002 CB PRO A 68 -6.301 -5.536 -10.989 1.00 0.00 C ATOM 1003 CG PRO A 68 -5.594 -4.239 -10.791 1.00 0.00 C ATOM 1004 CD PRO A 68 -6.670 -3.198 -10.650 1.00 0.00 C ATOM 0 HA PRO A 68 -8.438 -5.935 -10.601 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -5.695 -6.374 -10.644 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -6.518 -5.712 -12.043 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -4.963 -4.270 -9.903 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -4.944 -4.016 -11.637 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.369 -2.398 -9.974 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.908 -2.734 -11.607 1.00 0.00 H new ATOM 1012 N ALA A 69 -6.912 -5.206 -7.849 1.00 0.00 N ATOM 1013 CA ALA A 69 -6.688 -5.664 -6.484 1.00 0.00 C ATOM 1014 C ALA A 69 -7.946 -5.502 -5.637 1.00 0.00 C ATOM 1015 O ALA A 69 -7.869 -5.220 -4.441 1.00 0.00 O ATOM 1016 CB ALA A 69 -5.526 -4.908 -5.857 1.00 0.00 C ATOM 0 H ALA A 69 -6.663 -4.230 -8.012 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.440 -6.725 -6.519 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.370 -5.261 -4.837 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.622 -5.079 -6.442 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.752 -3.842 -5.842 1.00 0.00 H new ATOM 1022 N TYR A 70 -9.103 -5.681 -6.265 1.00 0.00 N ATOM 1023 CA TYR A 70 -10.378 -5.551 -5.569 1.00 0.00 C ATOM 1024 C TYR A 70 -11.092 -6.897 -5.484 1.00 0.00 C ATOM 1025 O TYR A 70 -11.063 -7.689 -6.426 1.00 0.00 O ATOM 1026 CB TYR A 70 -11.270 -4.533 -6.281 1.00 0.00 C ATOM 1027 CG TYR A 70 -12.457 -4.087 -5.457 1.00 0.00 C ATOM 1028 CD1 TYR A 70 -12.315 -3.772 -4.112 1.00 0.00 C ATOM 1029 CD2 TYR A 70 -13.720 -3.980 -6.026 1.00 0.00 C ATOM 1030 CE1 TYR A 70 -13.397 -3.365 -3.356 1.00 0.00 C ATOM 1031 CE2 TYR A 70 -14.808 -3.573 -5.277 1.00 0.00 C ATOM 1032 CZ TYR A 70 -14.641 -3.267 -3.943 1.00 0.00 C ATOM 1033 OH TYR A 70 -15.721 -2.860 -3.193 1.00 0.00 O ATOM 0 H TYR A 70 -9.184 -5.916 -7.254 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.176 -5.202 -4.556 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -10.672 -3.660 -6.544 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.629 -4.967 -7.214 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.342 -3.847 -3.649 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -13.854 -4.219 -7.071 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -13.269 -3.125 -2.311 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -15.783 -3.495 -5.734 1.00 0.00 H new ATOM 0 HH TYR A 70 -15.411 -2.542 -2.319 1.00 0.00 H new ATOM 1043 N SER A 71 -11.733 -7.149 -4.347 1.00 0.00 N ATOM 1044 CA SER A 71 -12.452 -8.399 -4.136 1.00 0.00 C ATOM 1045 C SER A 71 -13.849 -8.136 -3.583 1.00 0.00 C ATOM 1046 O SER A 71 -14.476 -9.021 -3.003 1.00 0.00 O ATOM 1047 CB SER A 71 -11.674 -9.304 -3.178 1.00 0.00 C ATOM 1048 OG SER A 71 -10.485 -9.783 -3.781 1.00 0.00 O ATOM 0 H SER A 71 -11.769 -6.504 -3.558 1.00 0.00 H new ATOM 0 HA SER A 71 -12.550 -8.900 -5.099 1.00 0.00 H new ATOM 0 HB2 SER A 71 -11.428 -8.752 -2.271 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.299 -10.146 -2.880 1.00 0.00 H new ATOM 0 HG SER A 71 -10.006 -10.357 -3.148 1.00 0.00 H new ATOM 1054 N ASN A 72 -14.330 -6.910 -3.768 1.00 0.00 N ATOM 1055 CA ASN A 72 -15.653 -6.528 -3.288 1.00 0.00 C ATOM 1056 C ASN A 72 -15.739 -6.655 -1.770 1.00 0.00 C ATOM 1057 O ASN A 72 -16.741 -7.126 -1.231 1.00 0.00 O ATOM 1058 CB ASN A 72 -16.728 -7.397 -3.944 1.00 0.00 C ATOM 1059 CG ASN A 72 -16.999 -6.994 -5.381 1.00 0.00 C ATOM 1060 OD1 ASN A 72 -17.917 -6.222 -5.658 1.00 0.00 O ATOM 1061 ND2 ASN A 72 -16.199 -7.517 -6.303 1.00 0.00 N ATOM 0 H ASN A 72 -13.823 -6.165 -4.246 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.822 -5.486 -3.559 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -16.415 -8.441 -3.915 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -17.651 -7.325 -3.369 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.333 -7.283 -7.287 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -15.451 -8.153 -6.027 1.00 0.00 H new ATOM 1068 N ARG A 73 -14.681 -6.233 -1.086 1.00 0.00 N ATOM 1069 CA ARG A 73 -14.635 -6.299 0.370 1.00 0.00 C ATOM 1070 C ARG A 73 -14.204 -4.961 0.963 1.00 0.00 C ATOM 1071 O ARG A 73 -14.700 -4.547 2.009 1.00 0.00 O ATOM 1072 CB ARG A 73 -13.677 -7.402 0.822 1.00 0.00 C ATOM 1073 CG ARG A 73 -13.989 -8.764 0.222 1.00 0.00 C ATOM 1074 CD ARG A 73 -13.250 -9.876 0.951 1.00 0.00 C ATOM 1075 NE ARG A 73 -11.802 -9.763 0.797 1.00 0.00 N ATOM 1076 CZ ARG A 73 -10.929 -10.391 1.577 1.00 0.00 C ATOM 1077 NH1 ARG A 73 -11.355 -11.172 2.560 1.00 0.00 N ATOM 1078 NH2 ARG A 73 -9.627 -10.238 1.375 1.00 0.00 N ATOM 0 H ARG A 73 -13.843 -5.841 -1.517 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.638 -6.529 0.729 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.659 -7.120 0.553 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.710 -7.477 1.909 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.063 -8.947 0.270 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.711 -8.771 -0.832 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -13.505 -9.847 2.010 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -13.581 -10.842 0.570 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.441 -9.170 0.050 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.355 -11.292 2.719 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.682 -11.653 3.157 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.295 -9.638 0.620 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -8.958 -10.721 1.975 1.00 0.00 H new ATOM 1092 N GLU A 74 -13.276 -4.292 0.286 1.00 0.00 N ATOM 1093 CA GLU A 74 -12.777 -3.001 0.747 1.00 0.00 C ATOM 1094 C GLU A 74 -13.791 -1.895 0.469 1.00 0.00 C ATOM 1095 O GLU A 74 -14.495 -1.921 -0.542 1.00 0.00 O ATOM 1096 CB GLU A 74 -11.447 -2.672 0.066 1.00 0.00 C ATOM 1097 CG GLU A 74 -10.332 -3.648 0.403 1.00 0.00 C ATOM 1098 CD GLU A 74 -10.328 -4.863 -0.505 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -11.179 -5.755 -0.308 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -9.472 -4.921 -1.413 1.00 0.00 O ATOM 0 H GLU A 74 -12.855 -4.622 -0.582 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.620 -3.064 1.824 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.595 -2.661 -1.014 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.139 -1.667 0.356 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.372 -3.138 0.326 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.438 -3.973 1.438 1.00 0.00 H new ATOM 1107 N THR A 75 -13.860 -0.923 1.373 1.00 0.00 N ATOM 1108 CA THR A 75 -14.788 0.191 1.228 1.00 0.00 C ATOM 1109 C THR A 75 -14.120 1.513 1.587 1.00 0.00 C ATOM 1110 O THR A 75 -13.723 1.728 2.733 1.00 0.00 O ATOM 1111 CB THR A 75 -16.035 0.003 2.112 1.00 0.00 C ATOM 1112 OG1 THR A 75 -16.722 -1.198 1.741 1.00 0.00 O ATOM 1113 CG2 THR A 75 -16.976 1.191 1.982 1.00 0.00 C ATOM 0 H THR A 75 -13.284 -0.885 2.214 1.00 0.00 H new ATOM 0 HA THR A 75 -15.093 0.213 0.182 1.00 0.00 H new ATOM 0 HB THR A 75 -15.709 -0.070 3.150 1.00 0.00 H new ATOM 0 HG1 THR A 75 -17.591 -1.231 2.193 1.00 0.00 H new ATOM 0 HG21 THR A 75 -17.849 1.035 2.616 1.00 0.00 H new ATOM 0 HG22 THR A 75 -16.460 2.100 2.293 1.00 0.00 H new ATOM 0 HG23 THR A 75 -17.294 1.291 0.944 1.00 0.00 H new ATOM 1121 N ILE A 76 -13.999 2.396 0.602 1.00 0.00 N ATOM 1122 CA ILE A 76 -13.380 3.699 0.815 1.00 0.00 C ATOM 1123 C ILE A 76 -14.253 4.584 1.697 1.00 0.00 C ATOM 1124 O ILE A 76 -15.387 4.230 2.021 1.00 0.00 O ATOM 1125 CB ILE A 76 -13.116 4.422 -0.518 1.00 0.00 C ATOM 1126 CG1 ILE A 76 -12.924 3.406 -1.646 1.00 0.00 C ATOM 1127 CG2 ILE A 76 -11.897 5.325 -0.399 1.00 0.00 C ATOM 1128 CD1 ILE A 76 -14.201 3.076 -2.386 1.00 0.00 C ATOM 0 H ILE A 76 -14.321 2.233 -0.352 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.428 3.518 1.315 1.00 0.00 H new ATOM 0 HB ILE A 76 -13.981 5.041 -0.755 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.193 3.796 -2.355 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -12.507 2.489 -1.231 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.723 5.829 -1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.069 6.068 0.380 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.024 4.725 -0.142 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -13.989 2.350 -3.171 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -14.927 2.656 -1.690 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -14.608 3.984 -2.831 1.00 0.00 H new ATOM 1140 N TYR A 77 -13.719 5.738 2.081 1.00 0.00 N ATOM 1141 CA TYR A 77 -14.449 6.675 2.926 1.00 0.00 C ATOM 1142 C TYR A 77 -14.198 8.115 2.486 1.00 0.00 C ATOM 1143 O TYR A 77 -13.230 8.418 1.789 1.00 0.00 O ATOM 1144 CB TYR A 77 -14.042 6.499 4.390 1.00 0.00 C ATOM 1145 CG TYR A 77 -14.843 5.443 5.118 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -14.750 4.104 4.761 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -15.691 5.785 6.164 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -15.481 3.136 5.423 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -16.424 4.824 6.832 1.00 0.00 C ATOM 1150 CZ TYR A 77 -16.316 3.501 6.458 1.00 0.00 C ATOM 1151 OH TYR A 77 -17.044 2.540 7.121 1.00 0.00 O ATOM 0 H TYR A 77 -12.783 6.047 1.820 1.00 0.00 H new ATOM 0 HA TYR A 77 -15.513 6.463 2.824 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -12.985 6.237 4.436 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -14.157 7.451 4.907 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -14.095 3.814 3.952 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -15.778 6.820 6.460 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -15.399 2.099 5.131 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -17.078 5.107 7.643 1.00 0.00 H new ATOM 0 HH TYR A 77 -17.581 2.963 7.823 1.00 0.00 H new ATOM 1161 N PRO A 78 -15.091 9.024 2.905 1.00 0.00 N ATOM 1162 CA PRO A 78 -14.988 10.447 2.568 1.00 0.00 C ATOM 1163 C PRO A 78 -13.819 11.127 3.273 1.00 0.00 C ATOM 1164 O PRO A 78 -13.620 12.334 3.142 1.00 0.00 O ATOM 1165 CB PRO A 78 -16.318 11.025 3.060 1.00 0.00 C ATOM 1166 CG PRO A 78 -16.757 10.098 4.140 1.00 0.00 C ATOM 1167 CD PRO A 78 -16.269 8.733 3.739 1.00 0.00 C ATOM 0 HA PRO A 78 -14.807 10.602 1.504 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -16.193 12.040 3.436 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -17.052 11.071 2.255 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -16.339 10.394 5.102 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -17.842 10.109 4.246 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -16.007 8.129 4.607 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -17.028 8.182 3.184 1.00 0.00 H new ATOM 1175 N ASN A 79 -13.049 10.343 4.021 1.00 0.00 N ATOM 1176 CA ASN A 79 -11.899 10.870 4.747 1.00 0.00 C ATOM 1177 C ASN A 79 -10.608 10.209 4.274 1.00 0.00 C ATOM 1178 O ASN A 79 -9.571 10.312 4.929 1.00 0.00 O ATOM 1179 CB ASN A 79 -12.076 10.653 6.251 1.00 0.00 C ATOM 1180 CG ASN A 79 -13.359 11.267 6.777 1.00 0.00 C ATOM 1181 OD1 ASN A 79 -13.579 12.472 6.654 1.00 0.00 O ATOM 1182 ND2 ASN A 79 -14.212 10.438 7.368 1.00 0.00 N ATOM 0 H ASN A 79 -13.200 9.341 4.140 1.00 0.00 H new ATOM 0 HA ASN A 79 -11.833 11.939 4.547 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -12.074 9.584 6.464 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -11.226 11.085 6.780 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -15.092 10.793 7.743 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -13.987 9.446 7.447 1.00 0.00 H new ATOM 1189 N ALA A 80 -10.680 9.532 3.133 1.00 0.00 N ATOM 1190 CA ALA A 80 -9.516 8.857 2.571 1.00 0.00 C ATOM 1191 C ALA A 80 -9.186 7.590 3.354 1.00 0.00 C ATOM 1192 O ALA A 80 -8.042 7.135 3.362 1.00 0.00 O ATOM 1193 CB ALA A 80 -8.319 9.795 2.552 1.00 0.00 C ATOM 0 H ALA A 80 -11.531 9.436 2.580 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.753 8.569 1.547 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.458 9.277 2.130 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.551 10.669 1.943 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.089 10.112 3.569 1.00 0.00 H new ATOM 1199 N SER A 81 -10.194 7.027 4.012 1.00 0.00 N ATOM 1200 CA SER A 81 -10.008 5.815 4.802 1.00 0.00 C ATOM 1201 C SER A 81 -10.524 4.592 4.049 1.00 0.00 C ATOM 1202 O SER A 81 -11.336 4.710 3.131 1.00 0.00 O ATOM 1203 CB SER A 81 -10.728 5.942 6.146 1.00 0.00 C ATOM 1204 OG SER A 81 -10.395 7.159 6.790 1.00 0.00 O ATOM 0 H SER A 81 -11.147 7.390 4.014 1.00 0.00 H new ATOM 0 HA SER A 81 -8.940 5.687 4.981 1.00 0.00 H new ATOM 0 HB2 SER A 81 -11.806 5.892 5.991 1.00 0.00 H new ATOM 0 HB3 SER A 81 -10.459 5.102 6.787 1.00 0.00 H new ATOM 0 HG SER A 81 -11.150 7.455 7.340 1.00 0.00 H new ATOM 1210 N LEU A 82 -10.046 3.417 4.445 1.00 0.00 N ATOM 1211 CA LEU A 82 -10.458 2.170 3.809 1.00 0.00 C ATOM 1212 C LEU A 82 -10.835 1.125 4.854 1.00 0.00 C ATOM 1213 O LEU A 82 -10.023 0.763 5.707 1.00 0.00 O ATOM 1214 CB LEU A 82 -9.336 1.635 2.917 1.00 0.00 C ATOM 1215 CG LEU A 82 -9.704 0.461 2.009 1.00 0.00 C ATOM 1216 CD1 LEU A 82 -10.208 0.964 0.665 1.00 0.00 C ATOM 1217 CD2 LEU A 82 -8.508 -0.462 1.821 1.00 0.00 C ATOM 0 H LEU A 82 -9.373 3.302 5.203 1.00 0.00 H new ATOM 0 HA LEU A 82 -11.335 2.376 3.195 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.974 2.452 2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.506 1.329 3.554 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.504 -0.106 2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.465 0.115 0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.091 1.584 0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.429 1.554 0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.787 -1.292 1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.688 0.093 1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.191 -0.849 2.789 1.00 0.00 H new ATOM 1229 N LEU A 83 -12.071 0.642 4.781 1.00 0.00 N ATOM 1230 CA LEU A 83 -12.556 -0.364 5.719 1.00 0.00 C ATOM 1231 C LEU A 83 -12.394 -1.767 5.144 1.00 0.00 C ATOM 1232 O LEU A 83 -13.055 -2.130 4.172 1.00 0.00 O ATOM 1233 CB LEU A 83 -14.024 -0.106 6.060 1.00 0.00 C ATOM 1234 CG LEU A 83 -14.738 -1.214 6.835 1.00 0.00 C ATOM 1235 CD1 LEU A 83 -14.399 -1.133 8.316 1.00 0.00 C ATOM 1236 CD2 LEU A 83 -16.243 -1.129 6.625 1.00 0.00 C ATOM 0 H LEU A 83 -12.755 0.931 4.082 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.961 -0.294 6.629 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -14.085 0.814 6.642 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -14.567 0.068 5.131 1.00 0.00 H new ATOM 0 HG LEU A 83 -14.393 -2.176 6.456 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -14.916 -1.929 8.852 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -13.323 -1.245 8.450 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.715 -0.167 8.709 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -16.734 -1.925 7.184 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -16.605 -0.163 6.976 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -16.469 -1.238 5.564 1.00 0.00 H new ATOM 1248 N MET A 84 -11.511 -2.553 5.753 1.00 0.00 N ATOM 1249 CA MET A 84 -11.265 -3.918 5.304 1.00 0.00 C ATOM 1250 C MET A 84 -12.198 -4.899 6.008 1.00 0.00 C ATOM 1251 O MET A 84 -12.305 -4.896 7.234 1.00 0.00 O ATOM 1252 CB MET A 84 -9.808 -4.308 5.561 1.00 0.00 C ATOM 1253 CG MET A 84 -9.260 -5.306 4.554 1.00 0.00 C ATOM 1254 SD MET A 84 -7.486 -5.121 4.288 1.00 0.00 S ATOM 1255 CE MET A 84 -7.413 -3.452 3.642 1.00 0.00 C ATOM 0 H MET A 84 -10.954 -2.267 6.559 1.00 0.00 H new ATOM 0 HA MET A 84 -11.462 -3.962 4.233 1.00 0.00 H new ATOM 0 HB2 MET A 84 -9.191 -3.410 5.542 1.00 0.00 H new ATOM 0 HB3 MET A 84 -9.725 -4.731 6.562 1.00 0.00 H new ATOM 0 HG2 MET A 84 -9.468 -6.318 4.901 1.00 0.00 H new ATOM 0 HG3 MET A 84 -9.781 -5.182 3.605 1.00 0.00 H new ATOM 0 HE1 MET A 84 -6.995 -3.469 2.635 1.00 0.00 H new ATOM 0 HE2 MET A 84 -8.417 -3.030 3.611 1.00 0.00 H new ATOM 0 HE3 MET A 84 -6.782 -2.840 4.286 1.00 0.00 H new ATOM 1265 N ARG A 85 -12.870 -5.735 5.224 1.00 0.00 N ATOM 1266 CA ARG A 85 -13.795 -6.720 5.773 1.00 0.00 C ATOM 1267 C ARG A 85 -13.258 -8.136 5.581 1.00 0.00 C ATOM 1268 O ARG A 85 -12.445 -8.386 4.693 1.00 0.00 O ATOM 1269 CB ARG A 85 -15.167 -6.588 5.110 1.00 0.00 C ATOM 1270 CG ARG A 85 -15.927 -5.339 5.525 1.00 0.00 C ATOM 1271 CD ARG A 85 -17.430 -5.566 5.494 1.00 0.00 C ATOM 1272 NE ARG A 85 -17.905 -5.906 4.156 1.00 0.00 N ATOM 1273 CZ ARG A 85 -18.209 -5.002 3.231 1.00 0.00 C ATOM 1274 NH1 ARG A 85 -18.088 -3.709 3.500 1.00 0.00 N ATOM 1275 NH2 ARG A 85 -18.635 -5.390 2.036 1.00 0.00 N ATOM 0 H ARG A 85 -12.792 -5.750 4.207 1.00 0.00 H new ATOM 0 HA ARG A 85 -13.897 -6.530 6.842 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -15.039 -6.582 4.028 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -15.765 -7.465 5.355 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -15.623 -5.044 6.529 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -15.668 -4.516 4.859 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -17.690 -6.368 6.185 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -17.939 -4.667 5.842 1.00 0.00 H new ATOM 0 HE ARG A 85 -18.009 -6.892 3.918 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -17.761 -3.407 4.418 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -18.322 -3.016 2.789 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -18.730 -6.384 1.826 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -18.868 -4.695 1.327 1.00 0.00 H new ATOM 1289 N ASN A 86 -13.720 -9.057 6.420 1.00 0.00 N ATOM 1290 CA ASN A 86 -13.286 -10.447 6.344 1.00 0.00 C ATOM 1291 C ASN A 86 -11.772 -10.536 6.181 1.00 0.00 C ATOM 1292 O ASN A 86 -11.272 -11.181 5.259 1.00 0.00 O ATOM 1293 CB ASN A 86 -13.978 -11.155 5.177 1.00 0.00 C ATOM 1294 CG ASN A 86 -15.359 -11.662 5.546 1.00 0.00 C ATOM 1295 OD1 ASN A 86 -15.573 -12.168 6.647 1.00 0.00 O ATOM 1296 ND2 ASN A 86 -16.304 -11.528 4.622 1.00 0.00 N ATOM 0 H ASN A 86 -14.395 -8.866 7.160 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.563 -10.940 7.276 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -14.059 -10.468 4.335 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -13.363 -11.992 4.847 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -17.253 -11.851 4.812 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -16.081 -11.102 3.722 1.00 0.00 H new ATOM 1303 N VAL A 87 -11.046 -9.883 7.083 1.00 0.00 N ATOM 1304 CA VAL A 87 -9.588 -9.890 7.042 1.00 0.00 C ATOM 1305 C VAL A 87 -9.041 -11.308 7.163 1.00 0.00 C ATOM 1306 O VAL A 87 -9.772 -12.241 7.495 1.00 0.00 O ATOM 1307 CB VAL A 87 -8.991 -9.023 8.166 1.00 0.00 C ATOM 1308 CG1 VAL A 87 -9.422 -7.573 8.008 1.00 0.00 C ATOM 1309 CG2 VAL A 87 -9.397 -9.564 9.528 1.00 0.00 C ATOM 0 H VAL A 87 -11.444 -9.342 7.851 1.00 0.00 H new ATOM 0 HA VAL A 87 -9.297 -9.473 6.078 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.904 -9.063 8.094 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.991 -6.976 8.811 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -9.076 -7.193 7.047 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.509 -7.510 8.053 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.966 -8.939 10.311 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.484 -9.556 9.614 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.032 -10.585 9.637 1.00 0.00 H new ATOM 1319 N THR A 88 -7.749 -11.463 6.892 1.00 0.00 N ATOM 1320 CA THR A 88 -7.103 -12.767 6.970 1.00 0.00 C ATOM 1321 C THR A 88 -5.598 -12.624 7.169 1.00 0.00 C ATOM 1322 O THR A 88 -5.015 -11.589 6.847 1.00 0.00 O ATOM 1323 CB THR A 88 -7.364 -13.600 5.701 1.00 0.00 C ATOM 1324 OG1 THR A 88 -6.932 -12.877 4.543 1.00 0.00 O ATOM 1325 CG2 THR A 88 -8.841 -13.940 5.571 1.00 0.00 C ATOM 0 H THR A 88 -7.129 -10.701 6.616 1.00 0.00 H new ATOM 0 HA THR A 88 -7.533 -13.282 7.829 1.00 0.00 H new ATOM 0 HB THR A 88 -6.799 -14.529 5.780 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.100 -13.414 3.741 1.00 0.00 H new ATOM 0 HG21 THR A 88 -9.001 -14.528 4.668 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.160 -14.516 6.440 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.422 -13.020 5.512 1.00 0.00 H new ATOM 1333 N ARG A 89 -4.975 -13.670 7.702 1.00 0.00 N ATOM 1334 CA ARG A 89 -3.537 -13.660 7.945 1.00 0.00 C ATOM 1335 C ARG A 89 -2.779 -13.198 6.704 1.00 0.00 C ATOM 1336 O ARG A 89 -1.738 -12.551 6.806 1.00 0.00 O ATOM 1337 CB ARG A 89 -3.059 -15.052 8.360 1.00 0.00 C ATOM 1338 CG ARG A 89 -3.714 -15.568 9.630 1.00 0.00 C ATOM 1339 CD ARG A 89 -3.023 -16.821 10.145 1.00 0.00 C ATOM 1340 NE ARG A 89 -3.538 -18.031 9.508 1.00 0.00 N ATOM 1341 CZ ARG A 89 -2.844 -19.159 9.404 1.00 0.00 C ATOM 1342 NH1 ARG A 89 -1.614 -19.232 9.893 1.00 0.00 N ATOM 1343 NH2 ARG A 89 -3.381 -20.217 8.811 1.00 0.00 N ATOM 0 H ARG A 89 -5.443 -14.535 7.974 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.335 -12.958 8.754 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -3.258 -15.752 7.549 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.979 -15.028 8.503 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.684 -14.794 10.397 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -4.765 -15.784 9.437 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.951 -16.744 9.964 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -3.160 -16.893 11.224 1.00 0.00 H new ATOM 0 HE ARG A 89 -4.482 -18.008 9.122 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.198 -18.421 10.351 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.084 -20.099 9.812 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.327 -20.165 8.434 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.847 -21.083 8.732 1.00 0.00 H new ATOM 1357 N ASN A 90 -3.309 -13.537 5.533 1.00 0.00 N ATOM 1358 CA ASN A 90 -2.682 -13.159 4.272 1.00 0.00 C ATOM 1359 C ASN A 90 -2.705 -11.645 4.086 1.00 0.00 C ATOM 1360 O ASN A 90 -1.695 -11.038 3.730 1.00 0.00 O ATOM 1361 CB ASN A 90 -3.394 -13.839 3.101 1.00 0.00 C ATOM 1362 CG ASN A 90 -3.495 -15.341 3.279 1.00 0.00 C ATOM 1363 OD1 ASN A 90 -2.535 -15.995 3.687 1.00 0.00 O ATOM 1364 ND2 ASN A 90 -4.662 -15.896 2.973 1.00 0.00 N ATOM 0 H ASN A 90 -4.171 -14.073 5.431 1.00 0.00 H new ATOM 0 HA ASN A 90 -1.643 -13.488 4.298 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -4.395 -13.420 2.995 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -2.858 -13.621 2.177 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.790 -16.903 3.073 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -5.431 -15.315 2.638 1.00 0.00 H new ATOM 1371 N ASP A 91 -3.863 -11.042 4.330 1.00 0.00 N ATOM 1372 CA ASP A 91 -4.018 -9.598 4.191 1.00 0.00 C ATOM 1373 C ASP A 91 -2.836 -8.863 4.815 1.00 0.00 C ATOM 1374 O ASP A 91 -2.328 -7.892 4.253 1.00 0.00 O ATOM 1375 CB ASP A 91 -5.323 -9.139 4.844 1.00 0.00 C ATOM 1376 CG ASP A 91 -6.517 -9.296 3.923 1.00 0.00 C ATOM 1377 OD1 ASP A 91 -6.545 -10.276 3.149 1.00 0.00 O ATOM 1378 OD2 ASP A 91 -7.424 -8.439 3.976 1.00 0.00 O ATOM 0 H ASP A 91 -4.709 -11.530 4.625 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.050 -9.361 3.128 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.492 -9.714 5.755 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.230 -8.094 5.139 1.00 0.00 H new ATOM 1383 N THR A 92 -2.404 -9.331 5.982 1.00 0.00 N ATOM 1384 CA THR A 92 -1.284 -8.716 6.684 1.00 0.00 C ATOM 1385 C THR A 92 -0.168 -8.339 5.716 1.00 0.00 C ATOM 1386 O THR A 92 0.432 -9.204 5.079 1.00 0.00 O ATOM 1387 CB THR A 92 -0.715 -9.655 7.764 1.00 0.00 C ATOM 1388 OG1 THR A 92 -1.772 -10.135 8.603 1.00 0.00 O ATOM 1389 CG2 THR A 92 0.325 -8.938 8.612 1.00 0.00 C ATOM 0 H THR A 92 -2.813 -10.134 6.461 1.00 0.00 H new ATOM 0 HA THR A 92 -1.667 -7.814 7.161 1.00 0.00 H new ATOM 0 HB THR A 92 -0.236 -10.497 7.265 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.087 -11.001 8.270 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.712 -9.621 9.368 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.143 -8.599 7.976 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.134 -8.079 9.101 1.00 0.00 H new ATOM 1397 N GLY A 93 0.105 -7.042 5.611 1.00 0.00 N ATOM 1398 CA GLY A 93 1.149 -6.574 4.718 1.00 0.00 C ATOM 1399 C GLY A 93 1.274 -5.064 4.714 1.00 0.00 C ATOM 1400 O GLY A 93 1.361 -4.439 5.771 1.00 0.00 O ATOM 0 H GLY A 93 -0.378 -6.307 6.128 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.101 -7.014 5.015 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.940 -6.921 3.706 1.00 0.00 H new ATOM 1404 N SER A 94 1.286 -4.475 3.523 1.00 0.00 N ATOM 1405 CA SER A 94 1.407 -3.028 3.386 1.00 0.00 C ATOM 1406 C SER A 94 0.307 -2.473 2.486 1.00 0.00 C ATOM 1407 O SER A 94 -0.093 -3.110 1.511 1.00 0.00 O ATOM 1408 CB SER A 94 2.780 -2.662 2.817 1.00 0.00 C ATOM 1409 OG SER A 94 2.895 -3.065 1.464 1.00 0.00 O ATOM 0 H SER A 94 1.213 -4.978 2.638 1.00 0.00 H new ATOM 0 HA SER A 94 1.301 -2.584 4.376 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.934 -1.586 2.893 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.561 -3.138 3.409 1.00 0.00 H new ATOM 0 HG SER A 94 3.793 -3.424 1.305 1.00 0.00 H new ATOM 1415 N TYR A 95 -0.178 -1.283 2.821 1.00 0.00 N ATOM 1416 CA TYR A 95 -1.233 -0.642 2.046 1.00 0.00 C ATOM 1417 C TYR A 95 -0.969 0.853 1.897 1.00 0.00 C ATOM 1418 O TYR A 95 -1.087 1.616 2.857 1.00 0.00 O ATOM 1419 CB TYR A 95 -2.592 -0.867 2.712 1.00 0.00 C ATOM 1420 CG TYR A 95 -2.975 -2.325 2.829 1.00 0.00 C ATOM 1421 CD1 TYR A 95 -2.312 -3.170 3.709 1.00 0.00 C ATOM 1422 CD2 TYR A 95 -4.003 -2.857 2.059 1.00 0.00 C ATOM 1423 CE1 TYR A 95 -2.658 -4.503 3.818 1.00 0.00 C ATOM 1424 CE2 TYR A 95 -4.357 -4.188 2.163 1.00 0.00 C ATOM 1425 CZ TYR A 95 -3.682 -5.007 3.043 1.00 0.00 C ATOM 1426 OH TYR A 95 -4.031 -6.334 3.150 1.00 0.00 O ATOM 0 H TYR A 95 0.143 -0.743 3.624 1.00 0.00 H new ATOM 0 HA TYR A 95 -1.243 -1.091 1.053 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.577 -0.423 3.707 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.358 -0.343 2.141 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -1.512 -2.778 4.319 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.534 -2.219 1.368 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.130 -5.147 4.506 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -5.159 -4.585 1.558 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.222 -6.878 3.254 1.00 0.00 H new ATOM 1436 N THR A 96 -0.610 1.266 0.685 1.00 0.00 N ATOM 1437 CA THR A 96 -0.328 2.669 0.408 1.00 0.00 C ATOM 1438 C THR A 96 -1.564 3.384 -0.124 1.00 0.00 C ATOM 1439 O THR A 96 -2.237 2.891 -1.030 1.00 0.00 O ATOM 1440 CB THR A 96 0.818 2.821 -0.610 1.00 0.00 C ATOM 1441 OG1 THR A 96 1.985 2.138 -0.140 1.00 0.00 O ATOM 1442 CG2 THR A 96 1.142 4.288 -0.845 1.00 0.00 C ATOM 0 H THR A 96 -0.508 0.648 -0.120 1.00 0.00 H new ATOM 0 HA THR A 96 -0.028 3.123 1.352 1.00 0.00 H new ATOM 0 HB THR A 96 0.496 2.381 -1.554 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.809 1.174 -0.107 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.954 4.370 -1.567 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.260 4.798 -1.231 1.00 0.00 H new ATOM 0 HG23 THR A 96 1.445 4.749 0.095 1.00 0.00 H new ATOM 1450 N LEU A 97 -1.858 4.549 0.443 1.00 0.00 N ATOM 1451 CA LEU A 97 -3.015 5.333 0.025 1.00 0.00 C ATOM 1452 C LEU A 97 -2.589 6.717 -0.455 1.00 0.00 C ATOM 1453 O LEU A 97 -2.048 7.511 0.314 1.00 0.00 O ATOM 1454 CB LEU A 97 -4.011 5.464 1.178 1.00 0.00 C ATOM 1455 CG LEU A 97 -5.021 6.607 1.066 1.00 0.00 C ATOM 1456 CD1 LEU A 97 -4.405 7.912 1.544 1.00 0.00 C ATOM 1457 CD2 LEU A 97 -5.517 6.741 -0.367 1.00 0.00 C ATOM 0 H LEU A 97 -1.311 4.971 1.193 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.496 4.813 -0.804 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.561 4.527 1.265 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.450 5.591 2.104 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.874 6.377 1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.138 8.714 1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.100 7.810 2.586 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.534 8.149 0.933 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.235 7.559 -0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.674 6.948 -1.026 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.998 5.812 -0.674 1.00 0.00 H new ATOM 1469 N GLN A 98 -2.840 6.999 -1.729 1.00 0.00 N ATOM 1470 CA GLN A 98 -2.484 8.288 -2.310 1.00 0.00 C ATOM 1471 C GLN A 98 -3.727 9.142 -2.544 1.00 0.00 C ATOM 1472 O GLN A 98 -4.697 8.690 -3.153 1.00 0.00 O ATOM 1473 CB GLN A 98 -1.733 8.088 -3.628 1.00 0.00 C ATOM 1474 CG GLN A 98 -1.628 9.351 -4.466 1.00 0.00 C ATOM 1475 CD GLN A 98 -0.561 9.253 -5.538 1.00 0.00 C ATOM 1476 OE1 GLN A 98 0.630 9.157 -5.239 1.00 0.00 O ATOM 1477 NE2 GLN A 98 -0.982 9.275 -6.797 1.00 0.00 N ATOM 0 H GLN A 98 -3.288 6.353 -2.378 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.835 8.808 -1.606 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.730 7.720 -3.413 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -2.237 7.317 -4.210 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -2.591 9.552 -4.935 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -1.407 10.197 -3.815 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -1.978 9.356 -7.000 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.309 9.211 -7.561 1.00 0.00 H new ATOM 1486 N VAL A 99 -3.690 10.377 -2.056 1.00 0.00 N ATOM 1487 CA VAL A 99 -4.813 11.295 -2.212 1.00 0.00 C ATOM 1488 C VAL A 99 -4.443 12.466 -3.116 1.00 0.00 C ATOM 1489 O VAL A 99 -3.492 13.198 -2.842 1.00 0.00 O ATOM 1490 CB VAL A 99 -5.286 11.839 -0.852 1.00 0.00 C ATOM 1491 CG1 VAL A 99 -4.096 12.226 0.013 1.00 0.00 C ATOM 1492 CG2 VAL A 99 -6.220 13.024 -1.048 1.00 0.00 C ATOM 0 H VAL A 99 -2.895 10.766 -1.549 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.624 10.729 -2.670 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.837 11.051 -0.338 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.451 12.608 0.970 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.469 11.351 0.182 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -3.514 12.997 -0.492 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.545 13.396 -0.076 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.696 13.816 -1.583 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.090 12.710 -1.625 1.00 0.00 H new ATOM 1502 N ILE A 100 -5.203 12.638 -4.192 1.00 0.00 N ATOM 1503 CA ILE A 100 -4.956 13.721 -5.135 1.00 0.00 C ATOM 1504 C ILE A 100 -5.576 15.026 -4.647 1.00 0.00 C ATOM 1505 O ILE A 100 -6.654 15.031 -4.053 1.00 0.00 O ATOM 1506 CB ILE A 100 -5.516 13.391 -6.532 1.00 0.00 C ATOM 1507 CG1 ILE A 100 -4.791 12.179 -7.122 1.00 0.00 C ATOM 1508 CG2 ILE A 100 -5.385 14.594 -7.453 1.00 0.00 C ATOM 1509 CD1 ILE A 100 -5.182 10.868 -6.476 1.00 0.00 C ATOM 0 H ILE A 100 -5.995 12.041 -4.432 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.875 13.838 -5.205 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.574 13.147 -6.435 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.000 12.125 -8.190 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -3.716 12.321 -7.015 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.785 14.345 -8.436 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.942 15.433 -7.037 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -4.334 14.867 -7.547 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -4.630 10.053 -6.944 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.947 10.902 -5.412 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -6.252 10.703 -6.606 1.00 0.00 H new ATOM 1521 N LYS A 101 -4.889 16.134 -4.904 1.00 0.00 N ATOM 1522 CA LYS A 101 -5.372 17.447 -4.495 1.00 0.00 C ATOM 1523 C LYS A 101 -5.777 18.280 -5.706 1.00 0.00 C ATOM 1524 O LYS A 101 -5.137 18.219 -6.757 1.00 0.00 O ATOM 1525 CB LYS A 101 -4.295 18.183 -3.694 1.00 0.00 C ATOM 1526 CG LYS A 101 -3.952 17.512 -2.376 1.00 0.00 C ATOM 1527 CD LYS A 101 -2.777 18.191 -1.693 1.00 0.00 C ATOM 1528 CE LYS A 101 -1.453 17.576 -2.118 1.00 0.00 C ATOM 1529 NZ LYS A 101 -0.303 18.474 -1.820 1.00 0.00 N ATOM 0 H LYS A 101 -3.995 16.148 -5.394 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.250 17.303 -3.865 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.392 18.258 -4.299 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.632 19.201 -3.497 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.820 17.537 -1.718 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.715 16.463 -2.552 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.779 19.254 -1.934 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.887 18.109 -0.612 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.313 16.625 -1.605 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.479 17.361 -3.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 0.581 18.019 -2.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.423 19.373 -2.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -0.263 18.659 -0.797 1.00 0.00 H new ATOM 1543 N LEU A 102 -6.843 19.059 -5.554 1.00 0.00 N ATOM 1544 CA LEU A 102 -7.333 19.906 -6.636 1.00 0.00 C ATOM 1545 C LEU A 102 -6.189 20.682 -7.281 1.00 0.00 C ATOM 1546 O LEU A 102 -6.306 21.154 -8.410 1.00 0.00 O ATOM 1547 CB LEU A 102 -8.390 20.878 -6.110 1.00 0.00 C ATOM 1548 CG LEU A 102 -9.792 20.301 -5.909 1.00 0.00 C ATOM 1549 CD1 LEU A 102 -10.610 20.430 -7.185 1.00 0.00 C ATOM 1550 CD2 LEU A 102 -9.712 18.846 -5.470 1.00 0.00 C ATOM 0 H LEU A 102 -7.384 19.121 -4.692 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.783 19.263 -7.392 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.044 21.279 -5.157 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.460 21.717 -6.802 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.289 20.870 -5.123 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.605 20.014 -7.023 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.696 21.482 -7.457 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.116 19.886 -7.990 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.719 18.452 -5.332 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.196 18.264 -6.233 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.164 18.779 -4.530 1.00 0.00 H new ATOM 1562 N ASN A 103 -5.082 20.806 -6.555 1.00 0.00 N ATOM 1563 CA ASN A 103 -3.916 21.523 -7.057 1.00 0.00 C ATOM 1564 C ASN A 103 -3.043 20.610 -7.914 1.00 0.00 C ATOM 1565 O ASN A 103 -1.826 20.784 -7.985 1.00 0.00 O ATOM 1566 CB ASN A 103 -3.096 22.085 -5.894 1.00 0.00 C ATOM 1567 CG ASN A 103 -1.813 22.747 -6.357 1.00 0.00 C ATOM 1568 OD1 ASN A 103 -1.784 23.416 -7.390 1.00 0.00 O ATOM 1569 ND2 ASN A 103 -0.742 22.561 -5.593 1.00 0.00 N ATOM 0 H ASN A 103 -4.969 20.419 -5.618 1.00 0.00 H new ATOM 0 HA ASN A 103 -4.268 22.348 -7.677 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -3.698 22.810 -5.346 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -2.856 21.280 -5.200 1.00 0.00 H new ATOM 0 HD21 ASN A 103 0.150 22.981 -5.855 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -0.812 21.999 -4.745 1.00 0.00 H new ATOM 1576 N LEU A 104 -3.674 19.638 -8.564 1.00 0.00 N ATOM 1577 CA LEU A 104 -2.956 18.697 -9.417 1.00 0.00 C ATOM 1578 C LEU A 104 -1.794 18.058 -8.665 1.00 0.00 C ATOM 1579 O LEU A 104 -0.726 17.829 -9.232 1.00 0.00 O ATOM 1580 CB LEU A 104 -2.439 19.407 -10.670 1.00 0.00 C ATOM 1581 CG LEU A 104 -3.501 20.042 -11.568 1.00 0.00 C ATOM 1582 CD1 LEU A 104 -2.860 20.647 -12.807 1.00 0.00 C ATOM 1583 CD2 LEU A 104 -4.554 19.015 -11.957 1.00 0.00 C ATOM 0 H LEU A 104 -4.681 19.481 -8.517 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.650 17.910 -9.713 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.741 20.185 -10.361 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.873 18.689 -11.263 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.990 20.841 -11.011 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.631 21.094 -13.434 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.145 21.414 -12.509 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.344 19.867 -13.367 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.302 19.485 -12.596 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.080 18.194 -12.496 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.035 18.629 -11.058 1.00 0.00 H new ATOM 1595 N MET A 105 -2.010 17.769 -7.386 1.00 0.00 N ATOM 1596 CA MET A 105 -0.981 17.152 -6.557 1.00 0.00 C ATOM 1597 C MET A 105 -1.467 15.823 -5.987 1.00 0.00 C ATOM 1598 O MET A 105 -2.596 15.403 -6.242 1.00 0.00 O ATOM 1599 CB MET A 105 -0.581 18.093 -5.418 1.00 0.00 C ATOM 1600 CG MET A 105 0.184 19.320 -5.885 1.00 0.00 C ATOM 1601 SD MET A 105 1.967 19.055 -5.920 1.00 0.00 S ATOM 1602 CE MET A 105 2.360 19.163 -4.176 1.00 0.00 C ATOM 0 H MET A 105 -2.888 17.952 -6.901 1.00 0.00 H new ATOM 0 HA MET A 105 -0.110 16.962 -7.184 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.479 18.414 -4.890 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.031 17.544 -4.702 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.158 19.599 -6.882 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.042 20.157 -5.225 1.00 0.00 H new ATOM 0 HE1 MET A 105 3.431 19.322 -4.054 1.00 0.00 H new ATOM 0 HE2 MET A 105 1.816 19.996 -3.731 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.072 18.236 -3.680 1.00 0.00 H new ATOM 1612 N SER A 106 -0.607 15.166 -5.215 1.00 0.00 N ATOM 1613 CA SER A 106 -0.948 13.882 -4.613 1.00 0.00 C ATOM 1614 C SER A 106 0.010 13.546 -3.474 1.00 0.00 C ATOM 1615 O SER A 106 1.226 13.660 -3.618 1.00 0.00 O ATOM 1616 CB SER A 106 -0.914 12.775 -5.667 1.00 0.00 C ATOM 1617 OG SER A 106 -1.454 13.225 -6.897 1.00 0.00 O ATOM 0 H SER A 106 0.330 15.501 -4.992 1.00 0.00 H new ATOM 0 HA SER A 106 -1.957 13.955 -4.207 1.00 0.00 H new ATOM 0 HB2 SER A 106 0.113 12.443 -5.817 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.479 11.913 -5.312 1.00 0.00 H new ATOM 0 HG SER A 106 -2.213 13.820 -6.723 1.00 0.00 H new ATOM 1623 N GLU A 107 -0.549 13.130 -2.342 1.00 0.00 N ATOM 1624 CA GLU A 107 0.255 12.777 -1.178 1.00 0.00 C ATOM 1625 C GLU A 107 0.409 11.263 -1.062 1.00 0.00 C ATOM 1626 O GLU A 107 -0.283 10.505 -1.740 1.00 0.00 O ATOM 1627 CB GLU A 107 -0.381 13.335 0.097 1.00 0.00 C ATOM 1628 CG GLU A 107 -0.057 14.798 0.349 1.00 0.00 C ATOM 1629 CD GLU A 107 1.265 14.987 1.068 1.00 0.00 C ATOM 1630 OE1 GLU A 107 1.401 14.481 2.202 1.00 0.00 O ATOM 1631 OE2 GLU A 107 2.163 15.640 0.497 1.00 0.00 O ATOM 0 H GLU A 107 -1.555 13.029 -2.206 1.00 0.00 H new ATOM 0 HA GLU A 107 1.244 13.217 -1.305 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -1.463 13.217 0.035 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.044 12.745 0.949 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.028 15.329 -0.602 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.855 15.247 0.940 1.00 0.00 H new ATOM 1638 N GLU A 108 1.323 10.832 -0.198 1.00 0.00 N ATOM 1639 CA GLU A 108 1.570 9.409 0.006 1.00 0.00 C ATOM 1640 C GLU A 108 1.604 9.071 1.493 1.00 0.00 C ATOM 1641 O GLU A 108 2.164 9.815 2.298 1.00 0.00 O ATOM 1642 CB GLU A 108 2.888 8.998 -0.653 1.00 0.00 C ATOM 1643 CG GLU A 108 2.730 8.526 -2.089 1.00 0.00 C ATOM 1644 CD GLU A 108 3.952 8.820 -2.937 1.00 0.00 C ATOM 1645 OE1 GLU A 108 5.080 8.707 -2.413 1.00 0.00 O ATOM 1646 OE2 GLU A 108 3.780 9.164 -4.125 1.00 0.00 O ATOM 0 H GLU A 108 1.904 11.447 0.371 1.00 0.00 H new ATOM 0 HA GLU A 108 0.753 8.854 -0.456 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.575 9.844 -0.631 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.345 8.201 -0.066 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.537 7.453 -2.096 1.00 0.00 H new ATOM 0 HG3 GLU A 108 1.860 9.009 -2.533 1.00 0.00 H new ATOM 1653 N VAL A 109 1.001 7.941 1.851 1.00 0.00 N ATOM 1654 CA VAL A 109 0.962 7.503 3.241 1.00 0.00 C ATOM 1655 C VAL A 109 0.793 5.991 3.336 1.00 0.00 C ATOM 1656 O VAL A 109 -0.220 5.439 2.904 1.00 0.00 O ATOM 1657 CB VAL A 109 -0.182 8.185 4.014 1.00 0.00 C ATOM 1658 CG1 VAL A 109 -1.476 8.123 3.217 1.00 0.00 C ATOM 1659 CG2 VAL A 109 -0.358 7.544 5.382 1.00 0.00 C ATOM 0 H VAL A 109 0.533 7.313 1.198 1.00 0.00 H new ATOM 0 HA VAL A 109 1.914 7.789 3.689 1.00 0.00 H new ATOM 0 HB VAL A 109 0.077 9.234 4.161 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.273 8.610 3.779 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.341 8.633 2.263 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.743 7.082 3.037 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.171 8.039 5.914 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.594 6.487 5.261 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.565 7.646 5.953 1.00 0.00 H new ATOM 1669 N THR A 110 1.793 5.323 3.904 1.00 0.00 N ATOM 1670 CA THR A 110 1.756 3.874 4.055 1.00 0.00 C ATOM 1671 C THR A 110 1.036 3.473 5.338 1.00 0.00 C ATOM 1672 O THR A 110 1.602 3.545 6.428 1.00 0.00 O ATOM 1673 CB THR A 110 3.174 3.274 4.067 1.00 0.00 C ATOM 1674 OG1 THR A 110 4.067 4.112 3.324 1.00 0.00 O ATOM 1675 CG2 THR A 110 3.175 1.873 3.475 1.00 0.00 C ATOM 0 H THR A 110 2.639 5.763 4.267 1.00 0.00 H new ATOM 0 HA THR A 110 1.210 3.481 3.197 1.00 0.00 H new ATOM 0 HB THR A 110 3.510 3.213 5.102 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.967 3.724 3.338 1.00 0.00 H new ATOM 0 HG21 THR A 110 4.188 1.470 3.495 1.00 0.00 H new ATOM 0 HG22 THR A 110 2.518 1.230 4.060 1.00 0.00 H new ATOM 0 HG23 THR A 110 2.820 1.913 2.445 1.00 0.00 H new ATOM 1683 N GLY A 111 -0.217 3.050 5.200 1.00 0.00 N ATOM 1684 CA GLY A 111 -0.994 2.643 6.357 1.00 0.00 C ATOM 1685 C GLY A 111 -1.489 1.215 6.249 1.00 0.00 C ATOM 1686 O GLY A 111 -2.343 0.909 5.417 1.00 0.00 O ATOM 0 H GLY A 111 -0.708 2.982 4.308 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.384 2.746 7.255 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.847 3.312 6.472 1.00 0.00 H new ATOM 1690 N GLN A 112 -0.952 0.338 7.091 1.00 0.00 N ATOM 1691 CA GLN A 112 -1.344 -1.066 7.085 1.00 0.00 C ATOM 1692 C GLN A 112 -1.682 -1.544 8.493 1.00 0.00 C ATOM 1693 O GLN A 112 -1.613 -0.776 9.453 1.00 0.00 O ATOM 1694 CB GLN A 112 -0.224 -1.927 6.497 1.00 0.00 C ATOM 1695 CG GLN A 112 1.096 -1.797 7.238 1.00 0.00 C ATOM 1696 CD GLN A 112 1.856 -0.541 6.861 1.00 0.00 C ATOM 1697 OE1 GLN A 112 1.947 -0.185 5.686 1.00 0.00 O ATOM 1698 NE2 GLN A 112 2.407 0.140 7.860 1.00 0.00 N ATOM 0 H GLN A 112 -0.244 0.575 7.786 1.00 0.00 H new ATOM 0 HA GLN A 112 -2.234 -1.165 6.464 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -0.536 -2.971 6.508 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.074 -1.650 5.453 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.907 -1.794 8.311 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.715 -2.669 7.026 1.00 0.00 H new ATOM 0 HE21 GLN A 112 2.307 -0.191 8.819 1.00 0.00 H new ATOM 0 HE22 GLN A 112 2.930 0.994 7.667 1.00 0.00 H new ATOM 1707 N PHE A 113 -2.048 -2.816 8.609 1.00 0.00 N ATOM 1708 CA PHE A 113 -2.398 -3.396 9.901 1.00 0.00 C ATOM 1709 C PHE A 113 -1.966 -4.857 9.976 1.00 0.00 C ATOM 1710 O PHE A 113 -1.357 -5.384 9.045 1.00 0.00 O ATOM 1711 CB PHE A 113 -3.905 -3.285 10.141 1.00 0.00 C ATOM 1712 CG PHE A 113 -4.728 -4.070 9.160 1.00 0.00 C ATOM 1713 CD1 PHE A 113 -4.878 -3.631 7.854 1.00 0.00 C ATOM 1714 CD2 PHE A 113 -5.352 -5.246 9.544 1.00 0.00 C ATOM 1715 CE1 PHE A 113 -5.635 -4.351 6.949 1.00 0.00 C ATOM 1716 CE2 PHE A 113 -6.109 -5.970 8.643 1.00 0.00 C ATOM 1717 CZ PHE A 113 -6.252 -5.522 7.344 1.00 0.00 C ATOM 0 H PHE A 113 -2.110 -3.465 7.825 1.00 0.00 H new ATOM 0 HA PHE A 113 -1.871 -2.840 10.676 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.130 -3.630 11.150 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.197 -2.236 10.090 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -4.398 -2.716 7.540 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -5.246 -5.601 10.559 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.744 -3.998 5.934 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -6.589 -6.886 8.954 1.00 0.00 H new ATOM 0 HZ PHE A 113 -6.845 -6.086 6.639 1.00 0.00 H new ATOM 1727 N SER A 114 -2.285 -5.506 11.091 1.00 0.00 N ATOM 1728 CA SER A 114 -1.926 -6.905 11.291 1.00 0.00 C ATOM 1729 C SER A 114 -3.141 -7.721 11.723 1.00 0.00 C ATOM 1730 O SER A 114 -4.012 -7.227 12.439 1.00 0.00 O ATOM 1731 CB SER A 114 -0.818 -7.025 12.340 1.00 0.00 C ATOM 1732 OG SER A 114 0.392 -6.455 11.871 1.00 0.00 O ATOM 0 H SER A 114 -2.792 -5.085 11.870 1.00 0.00 H new ATOM 0 HA SER A 114 -1.563 -7.300 10.342 1.00 0.00 H new ATOM 0 HB2 SER A 114 -1.127 -6.526 13.258 1.00 0.00 H new ATOM 0 HB3 SER A 114 -0.658 -8.075 12.586 1.00 0.00 H new ATOM 0 HG SER A 114 1.084 -6.543 12.560 1.00 0.00 H new ATOM 1738 N VAL A 115 -3.191 -8.974 11.282 1.00 0.00 N ATOM 1739 CA VAL A 115 -4.298 -9.860 11.622 1.00 0.00 C ATOM 1740 C VAL A 115 -3.806 -11.087 12.382 1.00 0.00 C ATOM 1741 O VAL A 115 -2.753 -11.644 12.068 1.00 0.00 O ATOM 1742 CB VAL A 115 -5.057 -10.320 10.363 1.00 0.00 C ATOM 1743 CG1 VAL A 115 -6.283 -11.134 10.747 1.00 0.00 C ATOM 1744 CG2 VAL A 115 -5.448 -9.122 9.511 1.00 0.00 C ATOM 0 H VAL A 115 -2.478 -9.398 10.689 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.976 -9.290 12.257 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.397 -10.957 9.774 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -6.807 -11.450 9.845 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -5.974 -12.012 11.314 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -6.948 -10.524 11.358 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -5.983 -9.465 8.625 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -6.091 -8.458 10.089 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.550 -8.584 9.207 1.00 0.00 H new ATOM 1754 N HIS A 116 -4.574 -11.504 13.383 1.00 0.00 N ATOM 1755 CA HIS A 116 -4.217 -12.667 14.187 1.00 0.00 C ATOM 1756 C HIS A 116 -5.435 -13.552 14.435 1.00 0.00 C ATOM 1757 O HIS A 116 -6.502 -13.083 14.831 1.00 0.00 O ATOM 1758 CB HIS A 116 -3.613 -12.225 15.521 1.00 0.00 C ATOM 1759 CG HIS A 116 -4.442 -11.210 16.246 1.00 0.00 C ATOM 1760 ND1 HIS A 116 -5.270 -11.530 17.301 1.00 0.00 N ATOM 1761 CD2 HIS A 116 -4.566 -9.875 16.064 1.00 0.00 C ATOM 1762 CE1 HIS A 116 -5.868 -10.435 17.736 1.00 0.00 C ATOM 1763 NE2 HIS A 116 -5.458 -9.417 17.002 1.00 0.00 N ATOM 0 H HIS A 116 -5.447 -11.054 13.657 1.00 0.00 H new ATOM 0 HA HIS A 116 -3.476 -13.246 13.635 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -3.483 -13.099 16.159 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -2.621 -11.811 15.342 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -4.058 -9.280 15.319 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -6.572 -10.382 18.553 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -5.756 -8.448 17.114 1.00 0.00 H new ATOM 1772 N PRO A 117 -5.274 -14.862 14.196 1.00 0.00 N ATOM 1773 CA PRO A 117 -6.350 -15.839 14.386 1.00 0.00 C ATOM 1774 C PRO A 117 -6.689 -16.049 15.858 1.00 0.00 C ATOM 1775 O PRO A 117 -5.825 -15.929 16.726 1.00 0.00 O ATOM 1776 CB PRO A 117 -5.775 -17.122 13.781 1.00 0.00 C ATOM 1777 CG PRO A 117 -4.298 -16.961 13.885 1.00 0.00 C ATOM 1778 CD PRO A 117 -4.029 -15.490 13.722 1.00 0.00 C ATOM 0 HA PRO A 117 -7.282 -15.514 13.924 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -6.116 -18.003 14.324 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -6.088 -17.246 12.744 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -3.933 -17.320 14.847 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -3.787 -17.539 13.115 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -3.169 -15.171 14.310 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -3.819 -15.232 12.684 1.00 0.00 H new