USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 945 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 111 ASN : amide:sc= -2.91! C(o=-2.9!,f=-2.5!) USER MOD Set 1.2: A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 100 GLN : amide:sc= -2.75 X(o=-2.8,f=-3!) USER MOD Set 3.1: A 5 GLN : amide:sc= -0.58 K(o=-0.58,f=-4!) USER MOD Set 3.2: A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN :FLIP amide:sc= -0.368 F(o=-3.9,f=-0.37) USER MOD Single : A 15 ASN : amide:sc= -0.38 X(o=-0.38,f=-0.4) USER MOD Single : A 16 ASN : amide:sc= -1.17! C(o=-1.2!,f=-3.5!) USER MOD Single : A 21 THR OG1 : rot -120:sc= -1.24 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -164:sc= -0.0054 (180deg=-0.358) USER MOD Single : A 45 THR OG1 : rot 180:sc= -2.15! USER MOD Single : A 48 GLN :FLIP amide:sc= -2.4! C(o=-6.5!,f=-2.4!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.0948 USER MOD Single : A 63 GLN : amide:sc= -0.245 X(o=-0.24,f=0) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 19:sc= 0.862! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS :FLIP no HD1:sc= -0.313 F(o=-1.6,f=-0.31) USER MOD Single : A 81 THR OG1 : rot 105:sc= 0.355 USER MOD Single : A 105 MET CE :methyl -139:sc= -0.922 (180deg=-3.58!) USER MOD Single : A 106 SER OG : rot 61:sc= 1.21 USER MOD Single : A 119 ASN : amide:sc= -1.55 K(o=-1.6,f=-4.2!) USER MOD Single : A 125 LYS NZ :NH3+ -128:sc= 0.15 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N LEU A 4 12.393 8.598 6.386 1.00 0.00 N ATOM 65 CA LEU A 4 12.237 8.745 4.910 1.00 0.00 C ATOM 66 C LEU A 4 12.300 7.366 4.240 1.00 0.00 C ATOM 67 O LEU A 4 13.023 7.175 3.282 1.00 0.00 O ATOM 68 CB LEU A 4 13.368 9.619 4.366 1.00 0.00 C ATOM 69 CG LEU A 4 14.706 8.916 4.599 1.00 0.00 C ATOM 70 CD1 LEU A 4 15.635 9.179 3.414 1.00 0.00 C ATOM 71 CD2 LEU A 4 15.347 9.456 5.881 1.00 0.00 C ATOM 0 HA LEU A 4 11.274 9.208 4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 4 13.221 9.803 3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 4 13.363 10.590 4.861 1.00 0.00 H new ATOM 0 HG LEU A 4 14.541 7.843 4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 4 16.588 8.678 3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 4 15.178 8.796 2.502 1.00 0.00 H new ATOM 0 HD13 LEU A 4 15.802 10.251 3.313 1.00 0.00 H new ATOM 0 HD21 LEU A 4 16.301 8.956 6.049 1.00 0.00 H new ATOM 0 HD22 LEU A 4 15.512 10.529 5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 4 14.685 9.268 6.726 1.00 0.00 H new ATOM 83 N GLN A 5 11.569 6.398 4.728 1.00 0.00 N ATOM 84 CA GLN A 5 11.631 5.045 4.093 1.00 0.00 C ATOM 85 C GLN A 5 10.446 4.180 4.542 1.00 0.00 C ATOM 86 O GLN A 5 10.281 3.889 5.710 1.00 0.00 O ATOM 87 CB GLN A 5 12.938 4.346 4.494 1.00 0.00 C ATOM 88 CG GLN A 5 13.464 4.925 5.810 1.00 0.00 C ATOM 89 CD GLN A 5 14.506 3.976 6.406 1.00 0.00 C ATOM 90 OE1 GLN A 5 14.489 2.791 6.135 1.00 0.00 O ATOM 91 NE2 GLN A 5 15.417 4.448 7.212 1.00 0.00 N ATOM 0 H GLN A 5 10.940 6.481 5.527 1.00 0.00 H new ATOM 0 HA GLN A 5 11.590 5.172 3.011 1.00 0.00 H new ATOM 0 HB2 GLN A 5 12.768 3.275 4.602 1.00 0.00 H new ATOM 0 HB3 GLN A 5 13.683 4.473 3.709 1.00 0.00 H new ATOM 0 HG2 GLN A 5 13.907 5.906 5.637 1.00 0.00 H new ATOM 0 HG3 GLN A 5 12.642 5.066 6.512 1.00 0.00 H new ATOM 0 HE21 GLN A 5 15.431 5.442 7.439 1.00 0.00 H new ATOM 0 HE22 GLN A 5 16.115 3.823 7.615 1.00 0.00 H new ATOM 100 N ILE A 6 9.633 3.750 3.612 1.00 0.00 N ATOM 101 CA ILE A 6 8.476 2.886 3.955 1.00 0.00 C ATOM 102 C ILE A 6 8.157 2.003 2.738 1.00 0.00 C ATOM 103 O ILE A 6 8.513 2.328 1.623 1.00 0.00 O ATOM 104 CB ILE A 6 7.281 3.772 4.306 1.00 0.00 C ATOM 105 CG1 ILE A 6 7.410 4.241 5.758 1.00 0.00 C ATOM 106 CG2 ILE A 6 5.988 2.981 4.140 1.00 0.00 C ATOM 107 CD1 ILE A 6 7.425 3.026 6.689 1.00 0.00 C ATOM 0 H ILE A 6 9.727 3.966 2.620 1.00 0.00 H new ATOM 0 HA ILE A 6 8.703 2.252 4.812 1.00 0.00 H new ATOM 0 HB ILE A 6 7.261 4.636 3.641 1.00 0.00 H new ATOM 0 HG12 ILE A 6 8.325 4.820 5.884 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.579 4.898 6.014 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.138 3.616 4.391 1.00 0.00 H new ATOM 0 HG22 ILE A 6 5.897 2.645 3.107 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.003 2.116 4.803 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.517 3.361 7.722 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.498 2.465 6.570 1.00 0.00 H new ATOM 0 HD13 ILE A 6 8.271 2.386 6.438 1.00 0.00 H new ATOM 119 N ALA A 7 7.503 0.886 2.933 1.00 0.00 N ATOM 120 CA ALA A 7 7.196 0.002 1.770 1.00 0.00 C ATOM 121 C ALA A 7 5.852 -0.704 1.974 1.00 0.00 C ATOM 122 O ALA A 7 5.668 -1.461 2.904 1.00 0.00 O ATOM 123 CB ALA A 7 8.305 -1.043 1.629 1.00 0.00 C ATOM 0 H ALA A 7 7.172 0.551 3.838 1.00 0.00 H new ATOM 0 HA ALA A 7 7.138 0.609 0.867 1.00 0.00 H new ATOM 0 HB1 ALA A 7 8.087 -1.692 0.781 1.00 0.00 H new ATOM 0 HB2 ALA A 7 9.259 -0.541 1.466 1.00 0.00 H new ATOM 0 HB3 ALA A 7 8.360 -1.640 2.539 1.00 0.00 H new ATOM 129 N VAL A 8 4.919 -0.470 1.092 1.00 0.00 N ATOM 130 CA VAL A 8 3.582 -1.127 1.203 1.00 0.00 C ATOM 131 C VAL A 8 3.316 -1.916 -0.074 1.00 0.00 C ATOM 132 O VAL A 8 3.726 -1.528 -1.148 1.00 0.00 O ATOM 133 CB VAL A 8 2.500 -0.058 1.348 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.575 0.891 0.154 1.00 0.00 C ATOM 135 CG2 VAL A 8 1.121 -0.722 1.375 1.00 0.00 C ATOM 0 H VAL A 8 5.025 0.153 0.292 1.00 0.00 H new ATOM 0 HA VAL A 8 3.569 -1.787 2.070 1.00 0.00 H new ATOM 0 HB VAL A 8 2.655 0.494 2.275 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.806 1.657 0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.557 1.364 0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.416 0.330 -0.767 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.351 0.043 1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.964 -1.272 0.447 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.065 -1.410 2.219 1.00 0.00 H new ATOM 145 N GLY A 9 2.623 -3.008 0.028 1.00 0.00 N ATOM 146 CA GLY A 9 2.323 -3.806 -1.188 1.00 0.00 C ATOM 147 C GLY A 9 0.825 -4.086 -1.229 1.00 0.00 C ATOM 148 O GLY A 9 0.278 -4.712 -0.344 1.00 0.00 O ATOM 0 H GLY A 9 2.250 -3.384 0.900 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.631 -3.264 -2.082 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.882 -4.741 -1.174 1.00 0.00 H new ATOM 152 N ILE A 10 0.158 -3.637 -2.252 1.00 0.00 N ATOM 153 CA ILE A 10 -1.297 -3.891 -2.346 1.00 0.00 C ATOM 154 C ILE A 10 -1.492 -5.174 -3.134 1.00 0.00 C ATOM 155 O ILE A 10 -0.570 -5.676 -3.746 1.00 0.00 O ATOM 156 CB ILE A 10 -1.992 -2.742 -3.068 1.00 0.00 C ATOM 157 CG1 ILE A 10 -1.226 -1.430 -2.877 1.00 0.00 C ATOM 158 CG2 ILE A 10 -3.400 -2.577 -2.508 1.00 0.00 C ATOM 159 CD1 ILE A 10 -1.738 -0.412 -3.891 1.00 0.00 C ATOM 0 H ILE A 10 0.560 -3.106 -3.025 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.726 -3.977 -1.348 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.028 -2.975 -4.132 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.365 -1.056 -1.863 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.157 -1.594 -3.013 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.902 -1.756 -3.021 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.962 -3.498 -2.660 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.344 -2.358 -1.442 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.201 0.528 -3.766 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.577 -0.791 -4.900 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.803 -0.245 -3.732 1.00 0.00 H new ATOM 171 N ILE A 11 -2.660 -5.738 -3.111 1.00 0.00 N ATOM 172 CA ILE A 11 -2.848 -7.015 -3.849 1.00 0.00 C ATOM 173 C ILE A 11 -4.287 -7.133 -4.358 1.00 0.00 C ATOM 174 O ILE A 11 -5.198 -6.574 -3.794 1.00 0.00 O ATOM 175 CB ILE A 11 -2.530 -8.186 -2.912 1.00 0.00 C ATOM 176 CG1 ILE A 11 -1.966 -7.674 -1.585 1.00 0.00 C ATOM 177 CG2 ILE A 11 -1.476 -9.080 -3.553 1.00 0.00 C ATOM 178 CD1 ILE A 11 -1.423 -8.848 -0.777 1.00 0.00 C ATOM 0 H ILE A 11 -3.481 -5.381 -2.623 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.177 -7.035 -4.707 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.452 -8.739 -2.734 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.174 -6.949 -1.770 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.744 -7.159 -1.021 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.250 -9.912 -2.886 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.853 -9.466 -4.500 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.569 -8.502 -3.732 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.021 -8.484 0.169 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.227 -9.557 -0.580 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.632 -9.343 -1.341 1.00 0.00 H new ATOM 190 N ARG A 12 -4.486 -7.867 -5.423 1.00 0.00 N ATOM 191 CA ARG A 12 -5.861 -8.039 -5.988 1.00 0.00 C ATOM 192 C ARG A 12 -6.132 -9.531 -6.191 1.00 0.00 C ATOM 193 O ARG A 12 -5.399 -10.213 -6.881 1.00 0.00 O ATOM 194 CB ARG A 12 -5.950 -7.318 -7.336 1.00 0.00 C ATOM 195 CG ARG A 12 -7.416 -7.190 -7.755 1.00 0.00 C ATOM 196 CD ARG A 12 -7.608 -5.896 -8.547 1.00 0.00 C ATOM 197 NE ARG A 12 -7.312 -6.151 -9.985 1.00 0.00 N ATOM 198 CZ ARG A 12 -7.668 -5.281 -10.891 1.00 0.00 C ATOM 199 NH1 ARG A 12 -7.822 -4.027 -10.566 1.00 0.00 N ATOM 200 NH2 ARG A 12 -7.868 -5.667 -12.121 1.00 0.00 N ATOM 0 H ARG A 12 -3.750 -8.359 -5.930 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.598 -7.619 -5.303 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.495 -6.330 -7.262 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.392 -7.870 -8.092 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.708 -8.047 -8.362 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.058 -7.189 -6.874 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.630 -5.534 -8.433 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.949 -5.118 -8.160 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.831 -7.007 -10.262 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.664 -3.726 -9.604 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.100 -3.347 -11.274 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.746 -6.648 -12.374 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.146 -4.988 -12.830 1.00 0.00 H new ATOM 214 N ASN A 13 -7.166 -10.052 -5.585 1.00 0.00 N ATOM 215 CA ASN A 13 -7.456 -11.511 -5.733 1.00 0.00 C ATOM 216 C ASN A 13 -8.532 -11.742 -6.798 1.00 0.00 C ATOM 217 O ASN A 13 -8.893 -10.850 -7.541 1.00 0.00 O ATOM 218 CB ASN A 13 -7.935 -12.078 -4.391 1.00 0.00 C ATOM 219 CG ASN A 13 -8.795 -11.042 -3.667 1.00 0.00 C ATOM 220 OD1 ASN A 13 -9.727 -10.412 -4.327 1.00 0.00 O flip ATOM 221 ND2 ASN A 13 -8.617 -10.804 -2.488 1.00 0.00 N flip ATOM 0 H ASN A 13 -7.820 -9.535 -4.997 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.542 -12.018 -6.043 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -8.509 -12.990 -4.555 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -7.078 -12.348 -3.774 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.888 -11.297 -1.973 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.197 -10.111 -2.014 1.00 0.00 H new ATOM 228 N GLU A 14 -9.033 -12.946 -6.881 1.00 0.00 N ATOM 229 CA GLU A 14 -10.073 -13.269 -7.899 1.00 0.00 C ATOM 230 C GLU A 14 -11.439 -12.756 -7.443 1.00 0.00 C ATOM 231 O GLU A 14 -12.405 -12.802 -8.178 1.00 0.00 O ATOM 232 CB GLU A 14 -10.147 -14.787 -8.074 1.00 0.00 C ATOM 233 CG GLU A 14 -8.875 -15.289 -8.759 1.00 0.00 C ATOM 234 CD GLU A 14 -8.715 -16.787 -8.496 1.00 0.00 C ATOM 235 OE1 GLU A 14 -9.601 -17.359 -7.883 1.00 0.00 O ATOM 236 OE2 GLU A 14 -7.708 -17.339 -8.912 1.00 0.00 O ATOM 0 H GLU A 14 -8.763 -13.726 -6.281 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.807 -12.790 -8.842 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.264 -15.269 -7.104 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.021 -15.052 -8.669 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.927 -15.100 -9.831 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.007 -14.747 -8.382 1.00 0.00 H new ATOM 243 N ASN A 15 -11.529 -12.269 -6.241 1.00 0.00 N ATOM 244 CA ASN A 15 -12.837 -11.756 -5.744 1.00 0.00 C ATOM 245 C ASN A 15 -12.976 -10.280 -6.117 1.00 0.00 C ATOM 246 O ASN A 15 -13.740 -9.548 -5.520 1.00 0.00 O ATOM 247 CB ASN A 15 -12.894 -11.904 -4.224 1.00 0.00 C ATOM 248 CG ASN A 15 -14.352 -12.015 -3.775 1.00 0.00 C ATOM 249 OD1 ASN A 15 -15.101 -12.817 -4.298 1.00 0.00 O ATOM 250 ND2 ASN A 15 -14.791 -11.237 -2.825 1.00 0.00 N ATOM 0 H ASN A 15 -10.756 -12.203 -5.579 1.00 0.00 H new ATOM 0 HA ASN A 15 -13.650 -12.325 -6.196 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -12.339 -12.789 -3.913 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -12.420 -11.046 -3.747 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -15.763 -11.302 -2.521 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -14.163 -10.564 -2.386 1.00 0.00 H new ATOM 257 N ASN A 16 -12.243 -9.840 -7.101 1.00 0.00 N ATOM 258 CA ASN A 16 -12.326 -8.418 -7.517 1.00 0.00 C ATOM 259 C ASN A 16 -12.222 -7.520 -6.279 1.00 0.00 C ATOM 260 O ASN A 16 -12.936 -6.549 -6.132 1.00 0.00 O ATOM 261 CB ASN A 16 -13.657 -8.186 -8.236 1.00 0.00 C ATOM 262 CG ASN A 16 -13.860 -6.692 -8.499 1.00 0.00 C ATOM 263 OD1 ASN A 16 -12.909 -5.963 -8.699 1.00 0.00 O ATOM 264 ND2 ASN A 16 -15.071 -6.202 -8.510 1.00 0.00 N ATOM 0 H ASN A 16 -11.587 -10.409 -7.636 1.00 0.00 H new ATOM 0 HA ASN A 16 -11.508 -8.176 -8.195 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -13.671 -8.734 -9.178 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -14.478 -8.571 -7.631 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -15.217 -5.208 -8.686 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -15.870 -6.813 -8.342 1.00 0.00 H new ATOM 271 N GLU A 17 -11.324 -7.842 -5.390 1.00 0.00 N ATOM 272 CA GLU A 17 -11.149 -7.015 -4.164 1.00 0.00 C ATOM 273 C GLU A 17 -9.656 -6.903 -3.853 1.00 0.00 C ATOM 274 O GLU A 17 -8.893 -7.813 -4.112 1.00 0.00 O ATOM 275 CB GLU A 17 -11.859 -7.682 -2.985 1.00 0.00 C ATOM 276 CG GLU A 17 -13.274 -8.085 -3.397 1.00 0.00 C ATOM 277 CD GLU A 17 -14.264 -7.631 -2.324 1.00 0.00 C ATOM 278 OE1 GLU A 17 -14.026 -7.926 -1.164 1.00 0.00 O ATOM 279 OE2 GLU A 17 -15.242 -6.994 -2.679 1.00 0.00 O ATOM 0 H GLU A 17 -10.701 -8.646 -5.461 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.575 -6.025 -4.327 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.300 -8.560 -2.661 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.898 -6.998 -2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.528 -7.634 -4.356 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.333 -9.166 -3.528 1.00 0.00 H new ATOM 286 N ILE A 18 -9.229 -5.803 -3.297 1.00 0.00 N ATOM 287 CA ILE A 18 -7.781 -5.657 -2.973 1.00 0.00 C ATOM 288 C ILE A 18 -7.574 -5.861 -1.481 1.00 0.00 C ATOM 289 O ILE A 18 -8.447 -5.602 -0.682 1.00 0.00 O ATOM 290 CB ILE A 18 -7.272 -4.253 -3.318 1.00 0.00 C ATOM 291 CG1 ILE A 18 -8.424 -3.364 -3.778 1.00 0.00 C ATOM 292 CG2 ILE A 18 -6.209 -4.329 -4.415 1.00 0.00 C ATOM 293 CD1 ILE A 18 -8.951 -3.856 -5.126 1.00 0.00 C ATOM 0 H ILE A 18 -9.815 -5.004 -3.054 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.236 -6.398 -3.557 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.829 -3.820 -2.421 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -9.224 -3.377 -3.038 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.087 -2.331 -3.864 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.856 -3.325 -4.650 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.372 -4.936 -4.069 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.640 -4.781 -5.309 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -9.773 -3.218 -5.450 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.151 -3.819 -5.865 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -9.306 -4.882 -5.026 1.00 0.00 H new ATOM 305 N PHE A 19 -6.408 -6.281 -1.094 1.00 0.00 N ATOM 306 CA PHE A 19 -6.133 -6.457 0.357 1.00 0.00 C ATOM 307 C PHE A 19 -5.606 -5.126 0.887 1.00 0.00 C ATOM 308 O PHE A 19 -4.431 -4.965 1.145 1.00 0.00 O ATOM 309 CB PHE A 19 -5.091 -7.562 0.560 1.00 0.00 C ATOM 310 CG PHE A 19 -4.580 -7.540 1.983 1.00 0.00 C ATOM 311 CD1 PHE A 19 -5.356 -8.086 3.013 1.00 0.00 C ATOM 312 CD2 PHE A 19 -3.329 -6.981 2.274 1.00 0.00 C ATOM 313 CE1 PHE A 19 -4.885 -8.071 4.330 1.00 0.00 C ATOM 314 CE2 PHE A 19 -2.857 -6.965 3.593 1.00 0.00 C ATOM 315 CZ PHE A 19 -3.634 -7.509 4.621 1.00 0.00 C ATOM 0 H PHE A 19 -5.633 -6.510 -1.716 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.038 -6.747 0.891 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.532 -8.534 0.339 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.262 -7.423 -0.134 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.320 -8.519 2.790 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.728 -6.562 1.481 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.485 -8.492 5.123 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.893 -6.532 3.816 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.271 -7.496 5.638 1.00 0.00 H new ATOM 325 N ILE A 20 -6.470 -4.156 1.021 1.00 0.00 N ATOM 326 CA ILE A 20 -6.034 -2.828 1.499 1.00 0.00 C ATOM 327 C ILE A 20 -5.895 -2.858 3.014 1.00 0.00 C ATOM 328 O ILE A 20 -5.805 -3.907 3.619 1.00 0.00 O ATOM 329 CB ILE A 20 -7.100 -1.794 1.082 1.00 0.00 C ATOM 330 CG1 ILE A 20 -6.524 -0.372 0.975 1.00 0.00 C ATOM 331 CG2 ILE A 20 -8.246 -1.787 2.097 1.00 0.00 C ATOM 332 CD1 ILE A 20 -5.001 -0.396 0.828 1.00 0.00 C ATOM 0 H ILE A 20 -7.466 -4.235 0.816 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.070 -2.560 1.066 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.462 -2.089 0.097 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -6.966 0.138 0.119 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.796 0.200 1.862 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.995 -1.054 1.796 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.702 -2.776 2.138 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -7.858 -1.526 3.082 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.626 0.625 0.755 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.559 -0.883 1.697 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.731 -0.947 -0.073 1.00 0.00 H new ATOM 344 N THR A 21 -5.887 -1.716 3.629 1.00 0.00 N ATOM 345 CA THR A 21 -5.767 -1.686 5.110 1.00 0.00 C ATOM 346 C THR A 21 -6.262 -0.353 5.668 1.00 0.00 C ATOM 347 O THR A 21 -6.223 0.668 5.011 1.00 0.00 O ATOM 348 CB THR A 21 -4.310 -1.896 5.509 1.00 0.00 C ATOM 349 OG1 THR A 21 -3.601 -2.486 4.429 1.00 0.00 O ATOM 350 CG2 THR A 21 -4.244 -2.808 6.733 1.00 0.00 C ATOM 0 H THR A 21 -5.958 -0.805 3.176 1.00 0.00 H new ATOM 0 HA THR A 21 -6.382 -2.485 5.523 1.00 0.00 H new ATOM 0 HB THR A 21 -3.856 -0.935 5.752 1.00 0.00 H new ATOM 0 HG1 THR A 21 -3.231 -3.348 4.713 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.203 -2.959 7.019 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.784 -2.347 7.560 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.698 -3.770 6.495 1.00 0.00 H new ATOM 358 N ARG A 22 -6.729 -0.368 6.889 1.00 0.00 N ATOM 359 CA ARG A 22 -7.235 0.871 7.529 1.00 0.00 C ATOM 360 C ARG A 22 -6.706 0.931 8.966 1.00 0.00 C ATOM 361 O ARG A 22 -6.281 -0.065 9.518 1.00 0.00 O ATOM 362 CB ARG A 22 -8.764 0.828 7.541 1.00 0.00 C ATOM 363 CG ARG A 22 -9.319 1.998 6.732 1.00 0.00 C ATOM 364 CD ARG A 22 -10.795 2.206 7.075 1.00 0.00 C ATOM 365 NE ARG A 22 -11.622 2.002 5.852 1.00 0.00 N ATOM 366 CZ ARG A 22 -12.913 1.839 5.956 1.00 0.00 C ATOM 367 NH1 ARG A 22 -13.578 2.458 6.893 1.00 0.00 N ATOM 368 NH2 ARG A 22 -13.541 1.059 5.119 1.00 0.00 N ATOM 0 H ARG A 22 -6.780 -1.202 7.474 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.900 1.751 6.980 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.114 -0.115 7.121 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.131 0.876 8.566 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.754 2.904 6.950 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.207 1.801 5.666 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -11.100 1.508 7.854 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -10.950 3.211 7.469 1.00 0.00 H new ATOM 0 HE ARG A 22 -11.179 1.990 4.933 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -13.089 3.071 7.546 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.587 2.329 6.973 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.023 0.577 4.384 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -14.550 0.931 5.200 1.00 0.00 H new ATOM 492 N ASN A 31 -15.299 7.738 4.765 1.00 0.00 N ATOM 493 CA ASN A 31 -14.453 6.650 4.194 1.00 0.00 C ATOM 494 C ASN A 31 -12.978 7.046 4.288 1.00 0.00 C ATOM 495 O ASN A 31 -12.579 8.106 3.848 1.00 0.00 O ATOM 496 CB ASN A 31 -14.823 6.409 2.722 1.00 0.00 C ATOM 497 CG ASN A 31 -15.633 7.591 2.175 1.00 0.00 C ATOM 498 OD1 ASN A 31 -15.072 8.551 1.685 1.00 0.00 O ATOM 499 ND2 ASN A 31 -16.936 7.560 2.239 1.00 0.00 N ATOM 0 HA ASN A 31 -14.625 5.734 4.760 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -13.918 6.275 2.130 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -15.402 5.490 2.631 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -17.483 8.341 1.878 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -17.407 6.754 2.650 1.00 0.00 H new ATOM 506 N LYS A 32 -12.162 6.199 4.858 1.00 0.00 N ATOM 507 CA LYS A 32 -10.712 6.525 4.980 1.00 0.00 C ATOM 508 C LYS A 32 -9.897 5.227 4.992 1.00 0.00 C ATOM 509 O LYS A 32 -10.146 4.332 5.775 1.00 0.00 O ATOM 510 CB LYS A 32 -10.468 7.301 6.276 1.00 0.00 C ATOM 511 CG LYS A 32 -10.732 6.392 7.477 1.00 0.00 C ATOM 512 CD LYS A 32 -9.401 5.874 8.028 1.00 0.00 C ATOM 513 CE LYS A 32 -9.662 5.003 9.257 1.00 0.00 C ATOM 514 NZ LYS A 32 -9.620 5.847 10.485 1.00 0.00 N ATOM 0 H LYS A 32 -12.437 5.296 5.244 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.404 7.137 4.132 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.442 7.668 6.304 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.120 8.173 6.317 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.269 6.941 8.251 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.365 5.556 7.181 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.879 5.297 7.265 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.755 6.711 8.293 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.634 4.516 9.171 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.914 4.213 9.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.798 5.254 11.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.684 6.291 10.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.350 6.586 10.424 1.00 0.00 H new ATOM 528 N LEU A 33 -8.935 5.116 4.118 1.00 0.00 N ATOM 529 CA LEU A 33 -8.110 3.894 4.049 1.00 0.00 C ATOM 530 C LEU A 33 -6.650 4.258 4.272 1.00 0.00 C ATOM 531 O LEU A 33 -6.333 5.344 4.714 1.00 0.00 O ATOM 532 CB LEU A 33 -8.265 3.306 2.661 1.00 0.00 C ATOM 533 CG LEU A 33 -9.471 2.383 2.636 1.00 0.00 C ATOM 534 CD1 LEU A 33 -10.632 3.090 1.942 1.00 0.00 C ATOM 535 CD2 LEU A 33 -9.113 1.113 1.873 1.00 0.00 C ATOM 0 H LEU A 33 -8.688 5.837 3.440 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.424 3.179 4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.388 4.103 1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.366 2.755 2.385 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.762 2.125 3.654 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.500 2.431 1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.881 4.001 2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.346 3.344 0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.975 0.446 1.852 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.827 1.370 0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.280 0.614 2.368 1.00 0.00 H new ATOM 547 N GLU A 34 -5.752 3.368 3.961 1.00 0.00 N ATOM 548 CA GLU A 34 -4.324 3.691 4.151 1.00 0.00 C ATOM 549 C GLU A 34 -3.457 2.770 3.307 1.00 0.00 C ATOM 550 O GLU A 34 -3.903 2.151 2.362 1.00 0.00 O ATOM 551 CB GLU A 34 -3.949 3.512 5.617 1.00 0.00 C ATOM 552 CG GLU A 34 -2.982 4.615 6.031 1.00 0.00 C ATOM 553 CD GLU A 34 -3.596 5.434 7.168 1.00 0.00 C ATOM 554 OE1 GLU A 34 -3.997 4.836 8.153 1.00 0.00 O ATOM 555 OE2 GLU A 34 -3.655 6.645 7.032 1.00 0.00 O ATOM 0 H GLU A 34 -5.948 2.440 3.587 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.158 4.724 3.846 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.843 3.545 6.239 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.490 2.535 5.770 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.035 4.181 6.352 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.765 5.261 5.180 1.00 0.00 H new ATOM 562 N PHE A 35 -2.215 2.683 3.659 1.00 0.00 N ATOM 563 CA PHE A 35 -1.273 1.809 2.909 1.00 0.00 C ATOM 564 C PHE A 35 -0.109 1.426 3.825 1.00 0.00 C ATOM 565 O PHE A 35 1.000 1.882 3.633 1.00 0.00 O ATOM 566 CB PHE A 35 -0.731 2.563 1.692 1.00 0.00 C ATOM 567 CG PHE A 35 -1.651 2.355 0.513 1.00 0.00 C ATOM 568 CD1 PHE A 35 -2.026 1.059 0.137 1.00 0.00 C ATOM 569 CD2 PHE A 35 -2.127 3.457 -0.206 1.00 0.00 C ATOM 570 CE1 PHE A 35 -2.876 0.868 -0.960 1.00 0.00 C ATOM 571 CE2 PHE A 35 -2.977 3.266 -1.301 1.00 0.00 C ATOM 572 CZ PHE A 35 -3.351 1.971 -1.679 1.00 0.00 C ATOM 0 H PHE A 35 -1.801 3.185 4.445 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.794 0.911 2.576 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.648 3.626 1.918 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.271 2.210 1.450 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.660 0.208 0.692 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.838 4.456 0.085 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.165 -0.131 -1.251 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.344 4.118 -1.854 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.006 1.823 -2.525 1.00 0.00 H new ATOM 582 N PRO A 36 -0.397 0.598 4.797 1.00 0.00 N ATOM 583 CA PRO A 36 0.617 0.142 5.760 1.00 0.00 C ATOM 584 C PRO A 36 1.793 -0.477 5.010 1.00 0.00 C ATOM 585 O PRO A 36 1.698 -0.785 3.843 1.00 0.00 O ATOM 586 CB PRO A 36 -0.100 -0.908 6.619 1.00 0.00 C ATOM 587 CG PRO A 36 -1.584 -0.943 6.173 1.00 0.00 C ATOM 588 CD PRO A 36 -1.746 0.045 5.007 1.00 0.00 C ATOM 0 HA PRO A 36 1.018 0.952 6.369 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.361 -1.887 6.492 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.024 -0.655 7.676 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.866 -1.949 5.863 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -2.238 -0.669 7.000 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.113 -0.456 4.111 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.463 0.830 5.249 1.00 0.00 H new ATOM 596 N GLY A 37 2.905 -0.658 5.660 1.00 0.00 N ATOM 597 CA GLY A 37 4.071 -1.251 4.956 1.00 0.00 C ATOM 598 C GLY A 37 5.073 -1.784 5.974 1.00 0.00 C ATOM 599 O GLY A 37 4.711 -2.228 7.045 1.00 0.00 O ATOM 0 H GLY A 37 3.057 -0.423 6.641 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.740 -2.057 4.301 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.546 -0.501 4.323 1.00 0.00 H new ATOM 603 N GLY A 38 6.333 -1.734 5.649 1.00 0.00 N ATOM 604 CA GLY A 38 7.366 -2.227 6.594 1.00 0.00 C ATOM 605 C GLY A 38 8.496 -1.205 6.649 1.00 0.00 C ATOM 606 O GLY A 38 8.610 -0.444 7.588 1.00 0.00 O ATOM 0 H GLY A 38 6.692 -1.371 4.766 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.936 -2.370 7.585 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.746 -3.195 6.269 1.00 0.00 H new ATOM 610 N LYS A 39 9.323 -1.175 5.639 1.00 0.00 N ATOM 611 CA LYS A 39 10.443 -0.195 5.623 1.00 0.00 C ATOM 612 C LYS A 39 11.314 -0.422 4.384 1.00 0.00 C ATOM 613 O LYS A 39 11.361 -1.504 3.834 1.00 0.00 O ATOM 614 CB LYS A 39 11.296 -0.379 6.879 1.00 0.00 C ATOM 615 CG LYS A 39 12.174 0.856 7.092 1.00 0.00 C ATOM 616 CD LYS A 39 13.309 0.513 8.060 1.00 0.00 C ATOM 617 CE LYS A 39 13.632 1.735 8.921 1.00 0.00 C ATOM 618 NZ LYS A 39 15.092 1.761 9.216 1.00 0.00 N ATOM 0 H LYS A 39 9.270 -1.787 4.825 1.00 0.00 H new ATOM 0 HA LYS A 39 10.035 0.816 5.598 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.654 -0.535 7.746 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.919 -1.268 6.780 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.583 1.193 6.140 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.577 1.676 7.491 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.020 -0.325 8.694 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.194 0.202 7.504 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.339 2.647 8.402 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.063 1.700 9.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 15.313 2.592 9.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.358 0.896 9.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.625 1.814 8.325 1.00 0.00 H new ATOM 632 N ILE A 40 12.010 0.591 3.952 1.00 0.00 N ATOM 633 CA ILE A 40 12.889 0.449 2.760 1.00 0.00 C ATOM 634 C ILE A 40 14.184 -0.248 3.184 1.00 0.00 C ATOM 635 O ILE A 40 15.016 0.325 3.859 1.00 0.00 O ATOM 636 CB ILE A 40 13.214 1.842 2.223 1.00 0.00 C ATOM 637 CG1 ILE A 40 11.932 2.670 2.148 1.00 0.00 C ATOM 638 CG2 ILE A 40 13.826 1.730 0.834 1.00 0.00 C ATOM 639 CD1 ILE A 40 11.002 2.095 1.076 1.00 0.00 C ATOM 0 H ILE A 40 12.007 1.518 4.377 1.00 0.00 H new ATOM 0 HA ILE A 40 12.392 -0.137 1.988 1.00 0.00 H new ATOM 0 HB ILE A 40 13.925 2.328 2.891 1.00 0.00 H new ATOM 0 HG12 ILE A 40 11.431 2.668 3.116 1.00 0.00 H new ATOM 0 HG13 ILE A 40 12.172 3.707 1.915 1.00 0.00 H new ATOM 0 HG21 ILE A 40 14.056 2.726 0.456 1.00 0.00 H new ATOM 0 HG22 ILE A 40 14.742 1.142 0.886 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.119 1.242 0.163 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.090 2.690 1.028 1.00 0.00 H new ATOM 0 HD12 ILE A 40 11.503 2.120 0.108 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.750 1.065 1.327 1.00 0.00 H new ATOM 651 N GLU A 41 14.356 -1.484 2.805 1.00 0.00 N ATOM 652 CA GLU A 41 15.593 -2.214 3.202 1.00 0.00 C ATOM 653 C GLU A 41 16.404 -2.584 1.957 1.00 0.00 C ATOM 654 O GLU A 41 16.004 -2.319 0.840 1.00 0.00 O ATOM 655 CB GLU A 41 15.202 -3.488 3.957 1.00 0.00 C ATOM 656 CG GLU A 41 14.047 -3.177 4.913 1.00 0.00 C ATOM 657 CD GLU A 41 14.081 -4.151 6.092 1.00 0.00 C ATOM 658 OE1 GLU A 41 13.814 -5.322 5.876 1.00 0.00 O ATOM 659 OE2 GLU A 41 14.371 -3.708 7.192 1.00 0.00 O ATOM 0 H GLU A 41 13.696 -2.019 2.240 1.00 0.00 H new ATOM 0 HA GLU A 41 16.201 -1.576 3.843 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.906 -4.265 3.253 1.00 0.00 H new ATOM 0 HB3 GLU A 41 16.057 -3.871 4.514 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.126 -2.151 5.273 1.00 0.00 H new ATOM 0 HG3 GLU A 41 13.095 -3.258 4.388 1.00 0.00 H new ATOM 666 N MET A 42 17.544 -3.192 2.143 1.00 0.00 N ATOM 667 CA MET A 42 18.386 -3.582 0.977 1.00 0.00 C ATOM 668 C MET A 42 19.000 -2.331 0.341 1.00 0.00 C ATOM 669 O MET A 42 19.014 -1.268 0.931 1.00 0.00 O ATOM 670 CB MET A 42 17.523 -4.314 -0.053 1.00 0.00 C ATOM 671 CG MET A 42 16.613 -5.318 0.658 1.00 0.00 C ATOM 672 SD MET A 42 17.597 -6.334 1.791 1.00 0.00 S ATOM 673 CE MET A 42 18.451 -7.323 0.539 1.00 0.00 C ATOM 0 H MET A 42 17.929 -3.436 3.055 1.00 0.00 H new ATOM 0 HA MET A 42 19.186 -4.241 1.313 1.00 0.00 H new ATOM 0 HB2 MET A 42 16.923 -3.598 -0.614 1.00 0.00 H new ATOM 0 HB3 MET A 42 18.158 -4.830 -0.773 1.00 0.00 H new ATOM 0 HG2 MET A 42 15.834 -4.791 1.209 1.00 0.00 H new ATOM 0 HG3 MET A 42 16.112 -5.952 -0.074 1.00 0.00 H new ATOM 0 HE1 MET A 42 18.894 -8.201 1.009 1.00 0.00 H new ATOM 0 HE2 MET A 42 17.739 -7.640 -0.223 1.00 0.00 H new ATOM 0 HE3 MET A 42 19.236 -6.725 0.076 1.00 0.00 H new ATOM 683 N GLY A 43 19.516 -2.448 -0.855 1.00 0.00 N ATOM 684 CA GLY A 43 20.136 -1.263 -1.516 1.00 0.00 C ATOM 685 C GLY A 43 19.350 -0.889 -2.769 1.00 0.00 C ATOM 686 O GLY A 43 19.340 0.251 -3.192 1.00 0.00 O ATOM 0 H GLY A 43 19.535 -3.310 -1.400 1.00 0.00 H new ATOM 0 HA2 GLY A 43 20.155 -0.420 -0.825 1.00 0.00 H new ATOM 0 HA3 GLY A 43 21.171 -1.484 -1.779 1.00 0.00 H new ATOM 690 N GLU A 44 18.690 -1.836 -3.362 1.00 0.00 N ATOM 691 CA GLU A 44 17.902 -1.540 -4.588 1.00 0.00 C ATOM 692 C GLU A 44 16.571 -0.899 -4.188 1.00 0.00 C ATOM 693 O GLU A 44 16.455 -0.301 -3.138 1.00 0.00 O ATOM 694 CB GLU A 44 17.642 -2.839 -5.350 1.00 0.00 C ATOM 695 CG GLU A 44 18.139 -2.687 -6.786 1.00 0.00 C ATOM 696 CD GLU A 44 19.627 -2.333 -6.779 1.00 0.00 C ATOM 697 OE1 GLU A 44 20.418 -3.189 -6.419 1.00 0.00 O ATOM 698 OE2 GLU A 44 19.951 -1.211 -7.135 1.00 0.00 O ATOM 0 H GLU A 44 18.660 -2.807 -3.051 1.00 0.00 H new ATOM 0 HA GLU A 44 18.457 -0.854 -5.227 1.00 0.00 H new ATOM 0 HB2 GLU A 44 18.152 -3.669 -4.862 1.00 0.00 H new ATOM 0 HB3 GLU A 44 16.577 -3.071 -5.344 1.00 0.00 H new ATOM 0 HG2 GLU A 44 17.978 -3.613 -7.337 1.00 0.00 H new ATOM 0 HG3 GLU A 44 17.572 -1.909 -7.297 1.00 0.00 H new ATOM 705 N THR A 45 15.563 -1.018 -5.010 1.00 0.00 N ATOM 706 CA THR A 45 14.252 -0.409 -4.648 1.00 0.00 C ATOM 707 C THR A 45 13.100 -1.032 -5.460 1.00 0.00 C ATOM 708 O THR A 45 12.159 -1.536 -4.880 1.00 0.00 O ATOM 709 CB THR A 45 14.281 1.119 -4.857 1.00 0.00 C ATOM 710 OG1 THR A 45 13.248 1.501 -5.755 1.00 0.00 O ATOM 711 CG2 THR A 45 15.639 1.566 -5.413 1.00 0.00 C ATOM 0 H THR A 45 15.590 -1.505 -5.906 1.00 0.00 H new ATOM 0 HA THR A 45 14.076 -0.616 -3.592 1.00 0.00 H new ATOM 0 HB THR A 45 14.124 1.602 -3.893 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.269 2.472 -5.884 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.637 2.647 -5.553 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.427 1.292 -4.712 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.819 1.077 -6.370 1.00 0.00 H new ATOM 719 N PRO A 46 13.172 -0.960 -6.771 1.00 0.00 N ATOM 720 CA PRO A 46 12.098 -1.496 -7.634 1.00 0.00 C ATOM 721 C PRO A 46 11.996 -3.026 -7.574 1.00 0.00 C ATOM 722 O PRO A 46 11.205 -3.617 -8.279 1.00 0.00 O ATOM 723 CB PRO A 46 12.476 -1.052 -9.053 1.00 0.00 C ATOM 724 CG PRO A 46 13.852 -0.347 -8.976 1.00 0.00 C ATOM 725 CD PRO A 46 14.297 -0.342 -7.505 1.00 0.00 C ATOM 0 HA PRO A 46 11.125 -1.126 -7.310 1.00 0.00 H new ATOM 0 HB2 PRO A 46 12.524 -1.911 -9.722 1.00 0.00 H new ATOM 0 HB3 PRO A 46 11.722 -0.376 -9.455 1.00 0.00 H new ATOM 0 HG2 PRO A 46 14.583 -0.868 -9.594 1.00 0.00 H new ATOM 0 HG3 PRO A 46 13.781 0.672 -9.357 1.00 0.00 H new ATOM 0 HD2 PRO A 46 15.218 -0.908 -7.368 1.00 0.00 H new ATOM 0 HD3 PRO A 46 14.491 0.671 -7.153 1.00 0.00 H new ATOM 733 N GLU A 47 12.765 -3.683 -6.755 1.00 0.00 N ATOM 734 CA GLU A 47 12.655 -5.165 -6.698 1.00 0.00 C ATOM 735 C GLU A 47 12.983 -5.635 -5.293 1.00 0.00 C ATOM 736 O GLU A 47 12.142 -6.089 -4.563 1.00 0.00 O ATOM 737 CB GLU A 47 13.654 -5.782 -7.674 1.00 0.00 C ATOM 738 CG GLU A 47 12.952 -6.839 -8.528 1.00 0.00 C ATOM 739 CD GLU A 47 13.457 -6.756 -9.970 1.00 0.00 C ATOM 740 OE1 GLU A 47 13.827 -5.670 -10.386 1.00 0.00 O ATOM 741 OE2 GLU A 47 13.466 -7.780 -10.634 1.00 0.00 O ATOM 0 H GLU A 47 13.456 -3.266 -6.131 1.00 0.00 H new ATOM 0 HA GLU A 47 11.642 -5.468 -6.964 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.079 -5.008 -8.313 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.481 -6.233 -7.126 1.00 0.00 H new ATOM 0 HG2 GLU A 47 13.142 -7.833 -8.123 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.873 -6.685 -8.501 1.00 0.00 H new ATOM 748 N GLN A 48 14.215 -5.509 -4.929 1.00 0.00 N ATOM 749 CA GLN A 48 14.683 -5.917 -3.595 1.00 0.00 C ATOM 750 C GLN A 48 13.811 -5.304 -2.530 1.00 0.00 C ATOM 751 O GLN A 48 13.675 -5.802 -1.430 1.00 0.00 O ATOM 752 CB GLN A 48 16.088 -5.383 -3.453 1.00 0.00 C ATOM 753 CG GLN A 48 17.042 -6.441 -3.960 1.00 0.00 C ATOM 754 CD GLN A 48 18.462 -5.878 -4.048 1.00 0.00 C ATOM 755 OE1 GLN A 48 18.828 -4.929 -3.231 1.00 0.00 O flip ATOM 756 NE2 GLN A 48 19.247 -6.306 -4.872 1.00 0.00 N flip ATOM 0 H GLN A 48 14.945 -5.124 -5.528 1.00 0.00 H new ATOM 0 HA GLN A 48 14.648 -7.001 -3.485 1.00 0.00 H new ATOM 0 HB2 GLN A 48 16.205 -4.460 -4.022 1.00 0.00 H new ATOM 0 HB3 GLN A 48 16.302 -5.144 -2.411 1.00 0.00 H new ATOM 0 HG2 GLN A 48 17.026 -7.304 -3.294 1.00 0.00 H new ATOM 0 HG3 GLN A 48 16.720 -6.790 -4.941 1.00 0.00 H new ATOM 0 HE21 GLN A 48 18.962 -7.048 -5.511 1.00 0.00 H new ATOM 0 HE22 GLN A 48 20.191 -5.923 -4.924 1.00 0.00 H new ATOM 765 N ALA A 49 13.256 -4.206 -2.849 1.00 0.00 N ATOM 766 CA ALA A 49 12.403 -3.504 -1.861 1.00 0.00 C ATOM 767 C ALA A 49 11.151 -4.331 -1.542 1.00 0.00 C ATOM 768 O ALA A 49 10.961 -4.782 -0.429 1.00 0.00 O ATOM 769 CB ALA A 49 11.977 -2.142 -2.403 1.00 0.00 C ATOM 0 H ALA A 49 13.346 -3.746 -3.755 1.00 0.00 H new ATOM 0 HA ALA A 49 12.985 -3.369 -0.949 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.351 -1.637 -1.667 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.861 -1.537 -2.603 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.414 -2.278 -3.326 1.00 0.00 H new ATOM 775 N VAL A 50 10.285 -4.507 -2.502 1.00 0.00 N ATOM 776 CA VAL A 50 9.028 -5.271 -2.256 1.00 0.00 C ATOM 777 C VAL A 50 9.269 -6.776 -2.344 1.00 0.00 C ATOM 778 O VAL A 50 8.398 -7.571 -2.047 1.00 0.00 O ATOM 779 CB VAL A 50 8.009 -4.858 -3.300 1.00 0.00 C ATOM 780 CG1 VAL A 50 8.407 -5.433 -4.659 1.00 0.00 C ATOM 781 CG2 VAL A 50 6.630 -5.379 -2.908 1.00 0.00 C ATOM 0 H VAL A 50 10.394 -4.152 -3.452 1.00 0.00 H new ATOM 0 HA VAL A 50 8.666 -5.049 -1.252 1.00 0.00 H new ATOM 0 HB VAL A 50 7.978 -3.770 -3.362 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.674 -5.136 -5.409 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.389 -5.053 -4.941 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.442 -6.521 -4.598 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.901 -5.080 -3.661 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.657 -6.467 -2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.345 -4.963 -1.942 1.00 0.00 H new ATOM 791 N VAL A 51 10.438 -7.179 -2.735 1.00 0.00 N ATOM 792 CA VAL A 51 10.730 -8.630 -2.826 1.00 0.00 C ATOM 793 C VAL A 51 10.852 -9.155 -1.408 1.00 0.00 C ATOM 794 O VAL A 51 10.251 -10.143 -1.035 1.00 0.00 O ATOM 795 CB VAL A 51 12.039 -8.828 -3.604 1.00 0.00 C ATOM 796 CG1 VAL A 51 13.245 -8.586 -2.703 1.00 0.00 C ATOM 797 CG2 VAL A 51 12.107 -10.241 -4.132 1.00 0.00 C ATOM 0 H VAL A 51 11.208 -6.564 -2.997 1.00 0.00 H new ATOM 0 HA VAL A 51 9.941 -9.170 -3.350 1.00 0.00 H new ATOM 0 HB VAL A 51 12.057 -8.114 -4.428 1.00 0.00 H new ATOM 0 HG11 VAL A 51 14.161 -8.732 -3.275 1.00 0.00 H new ATOM 0 HG12 VAL A 51 13.214 -7.566 -2.320 1.00 0.00 H new ATOM 0 HG13 VAL A 51 13.222 -9.287 -1.869 1.00 0.00 H new ATOM 0 HG21 VAL A 51 13.037 -10.379 -4.684 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.072 -10.943 -3.299 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.261 -10.423 -4.795 1.00 0.00 H new ATOM 807 N ARG A 52 11.607 -8.473 -0.611 1.00 0.00 N ATOM 808 CA ARG A 52 11.773 -8.858 0.778 1.00 0.00 C ATOM 809 C ARG A 52 10.495 -8.469 1.528 1.00 0.00 C ATOM 810 O ARG A 52 10.191 -9.020 2.556 1.00 0.00 O ATOM 811 CB ARG A 52 13.000 -8.101 1.284 1.00 0.00 C ATOM 812 CG ARG A 52 12.709 -7.384 2.599 1.00 0.00 C ATOM 813 CD ARG A 52 14.027 -7.007 3.274 1.00 0.00 C ATOM 814 NE ARG A 52 14.550 -8.180 4.028 1.00 0.00 N ATOM 815 CZ ARG A 52 15.796 -8.203 4.414 1.00 0.00 C ATOM 816 NH1 ARG A 52 16.335 -7.142 4.947 1.00 0.00 N ATOM 817 NH2 ARG A 52 16.504 -9.289 4.262 1.00 0.00 N ATOM 0 H ARG A 52 12.127 -7.640 -0.887 1.00 0.00 H new ATOM 0 HA ARG A 52 11.926 -9.927 0.922 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.827 -8.797 1.423 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.316 -7.375 0.535 1.00 0.00 H new ATOM 0 HG2 ARG A 52 12.113 -6.490 2.414 1.00 0.00 H new ATOM 0 HG3 ARG A 52 12.123 -8.028 3.255 1.00 0.00 H new ATOM 0 HD2 ARG A 52 14.753 -6.688 2.526 1.00 0.00 H new ATOM 0 HD3 ARG A 52 13.875 -6.165 3.949 1.00 0.00 H new ATOM 0 HE ARG A 52 13.935 -8.965 4.242 1.00 0.00 H new ATOM 0 HH11 ARG A 52 15.782 -6.293 5.063 1.00 0.00 H new ATOM 0 HH12 ARG A 52 17.309 -7.162 5.248 1.00 0.00 H new ATOM 0 HH21 ARG A 52 16.083 -10.118 3.842 1.00 0.00 H new ATOM 0 HH22 ARG A 52 17.478 -9.309 4.563 1.00 0.00 H new ATOM 831 N GLU A 53 9.735 -7.530 1.017 1.00 0.00 N ATOM 832 CA GLU A 53 8.481 -7.145 1.723 1.00 0.00 C ATOM 833 C GLU A 53 7.652 -8.404 1.977 1.00 0.00 C ATOM 834 O GLU A 53 6.796 -8.436 2.837 1.00 0.00 O ATOM 835 CB GLU A 53 7.672 -6.180 0.856 1.00 0.00 C ATOM 836 CG GLU A 53 7.985 -4.739 1.264 1.00 0.00 C ATOM 837 CD GLU A 53 6.692 -4.031 1.671 1.00 0.00 C ATOM 838 OE1 GLU A 53 5.806 -3.933 0.838 1.00 0.00 O ATOM 839 OE2 GLU A 53 6.609 -3.601 2.809 1.00 0.00 O ATOM 0 H GLU A 53 9.928 -7.022 0.154 1.00 0.00 H new ATOM 0 HA GLU A 53 8.729 -6.659 2.667 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.913 -6.331 -0.196 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.606 -6.378 0.971 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.693 -4.730 2.093 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.457 -4.210 0.436 1.00 0.00 H new ATOM 846 N LEU A 54 7.897 -9.441 1.221 1.00 0.00 N ATOM 847 CA LEU A 54 7.124 -10.701 1.397 1.00 0.00 C ATOM 848 C LEU A 54 7.431 -11.330 2.760 1.00 0.00 C ATOM 849 O LEU A 54 6.549 -11.550 3.563 1.00 0.00 O ATOM 850 CB LEU A 54 7.510 -11.697 0.294 1.00 0.00 C ATOM 851 CG LEU A 54 6.353 -11.886 -0.696 1.00 0.00 C ATOM 852 CD1 LEU A 54 5.064 -12.239 0.053 1.00 0.00 C ATOM 853 CD2 LEU A 54 6.138 -10.598 -1.491 1.00 0.00 C ATOM 0 H LEU A 54 8.603 -9.468 0.486 1.00 0.00 H new ATOM 0 HA LEU A 54 6.061 -10.468 1.339 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.393 -11.337 -0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.774 -12.656 0.739 1.00 0.00 H new ATOM 0 HG LEU A 54 6.605 -12.700 -1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.252 -12.370 -0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.209 -13.164 0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.813 -11.434 0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.316 -10.737 -2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.898 -9.784 -0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.047 -10.354 -2.041 1.00 0.00 H new ATOM 865 N GLN A 55 8.670 -11.653 3.012 1.00 0.00 N ATOM 866 CA GLN A 55 9.020 -12.313 4.314 1.00 0.00 C ATOM 867 C GLN A 55 9.125 -11.297 5.461 1.00 0.00 C ATOM 868 O GLN A 55 8.892 -11.625 6.607 1.00 0.00 O ATOM 869 CB GLN A 55 10.362 -13.037 4.172 1.00 0.00 C ATOM 870 CG GLN A 55 11.478 -12.015 3.939 1.00 0.00 C ATOM 871 CD GLN A 55 12.830 -12.643 4.285 1.00 0.00 C ATOM 872 OE1 GLN A 55 13.588 -13.001 3.406 1.00 0.00 O ATOM 873 NE2 GLN A 55 13.164 -12.793 5.537 1.00 0.00 N ATOM 0 H GLN A 55 9.455 -11.492 2.381 1.00 0.00 H new ATOM 0 HA GLN A 55 8.223 -13.017 4.553 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.570 -13.618 5.071 1.00 0.00 H new ATOM 0 HB3 GLN A 55 10.320 -13.740 3.340 1.00 0.00 H new ATOM 0 HG2 GLN A 55 11.473 -11.687 2.899 1.00 0.00 H new ATOM 0 HG3 GLN A 55 11.309 -11.130 4.553 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.527 -12.492 6.274 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.062 -13.211 5.779 1.00 0.00 H new ATOM 882 N GLU A 56 9.506 -10.087 5.178 1.00 0.00 N ATOM 883 CA GLU A 56 9.661 -9.080 6.270 1.00 0.00 C ATOM 884 C GLU A 56 8.308 -8.496 6.687 1.00 0.00 C ATOM 885 O GLU A 56 8.131 -8.083 7.816 1.00 0.00 O ATOM 886 CB GLU A 56 10.568 -7.948 5.785 1.00 0.00 C ATOM 887 CG GLU A 56 9.798 -7.064 4.801 1.00 0.00 C ATOM 888 CD GLU A 56 9.117 -5.927 5.564 1.00 0.00 C ATOM 889 OE1 GLU A 56 9.798 -5.262 6.327 1.00 0.00 O ATOM 890 OE2 GLU A 56 7.926 -5.743 5.374 1.00 0.00 O ATOM 0 H GLU A 56 9.718 -9.747 4.240 1.00 0.00 H new ATOM 0 HA GLU A 56 10.100 -9.578 7.134 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.911 -7.354 6.632 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.455 -8.359 5.304 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.477 -6.658 4.052 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.054 -7.656 4.269 1.00 0.00 H new ATOM 897 N GLU A 57 7.358 -8.429 5.798 1.00 0.00 N ATOM 898 CA GLU A 57 6.042 -7.838 6.180 1.00 0.00 C ATOM 899 C GLU A 57 5.086 -8.935 6.683 1.00 0.00 C ATOM 900 O GLU A 57 4.451 -8.786 7.708 1.00 0.00 O ATOM 901 CB GLU A 57 5.452 -7.091 4.973 1.00 0.00 C ATOM 902 CG GLU A 57 4.558 -8.015 4.144 1.00 0.00 C ATOM 903 CD GLU A 57 4.186 -7.319 2.837 1.00 0.00 C ATOM 904 OE1 GLU A 57 3.484 -6.324 2.898 1.00 0.00 O ATOM 905 OE2 GLU A 57 4.613 -7.789 1.797 1.00 0.00 O ATOM 0 H GLU A 57 7.431 -8.753 4.834 1.00 0.00 H new ATOM 0 HA GLU A 57 6.182 -7.128 6.995 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.875 -6.233 5.318 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.258 -6.703 4.350 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.077 -8.951 3.936 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.658 -8.267 4.704 1.00 0.00 H new ATOM 912 N VAL A 58 4.985 -10.035 5.984 1.00 0.00 N ATOM 913 CA VAL A 58 4.088 -11.130 6.433 1.00 0.00 C ATOM 914 C VAL A 58 4.714 -12.458 5.994 1.00 0.00 C ATOM 915 O VAL A 58 5.167 -13.241 6.803 1.00 0.00 O ATOM 916 CB VAL A 58 2.694 -10.953 5.808 1.00 0.00 C ATOM 917 CG1 VAL A 58 2.814 -10.403 4.387 1.00 0.00 C ATOM 918 CG2 VAL A 58 1.977 -12.297 5.759 1.00 0.00 C ATOM 0 H VAL A 58 5.490 -10.219 5.117 1.00 0.00 H new ATOM 0 HA VAL A 58 3.972 -11.115 7.517 1.00 0.00 H new ATOM 0 HB VAL A 58 2.127 -10.251 6.420 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.819 -10.283 3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.317 -9.436 4.412 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.392 -11.097 3.776 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.990 -12.167 5.316 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.556 -12.997 5.156 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.871 -12.690 6.770 1.00 0.00 H new ATOM 928 N GLY A 59 4.768 -12.697 4.713 1.00 0.00 N ATOM 929 CA GLY A 59 5.390 -13.942 4.210 1.00 0.00 C ATOM 930 C GLY A 59 4.377 -14.765 3.417 1.00 0.00 C ATOM 931 O GLY A 59 3.929 -15.812 3.841 1.00 0.00 O ATOM 0 H GLY A 59 4.403 -12.075 3.992 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.244 -13.699 3.578 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.769 -14.529 5.046 1.00 0.00 H new ATOM 935 N ILE A 60 4.034 -14.296 2.259 1.00 0.00 N ATOM 936 CA ILE A 60 3.072 -15.017 1.388 1.00 0.00 C ATOM 937 C ILE A 60 3.848 -15.620 0.220 1.00 0.00 C ATOM 938 O ILE A 60 5.044 -15.822 0.291 1.00 0.00 O ATOM 939 CB ILE A 60 2.045 -14.031 0.829 1.00 0.00 C ATOM 940 CG1 ILE A 60 2.155 -12.671 1.532 1.00 0.00 C ATOM 941 CG2 ILE A 60 0.653 -14.598 1.060 1.00 0.00 C ATOM 942 CD1 ILE A 60 1.109 -11.712 0.960 1.00 0.00 C ATOM 0 H ILE A 60 4.387 -13.423 1.868 1.00 0.00 H new ATOM 0 HA ILE A 60 2.561 -15.791 1.961 1.00 0.00 H new ATOM 0 HB ILE A 60 2.233 -13.888 -0.235 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.005 -12.792 2.605 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.155 -12.259 1.395 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.092 -13.906 0.667 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.562 -15.557 0.551 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.490 -14.738 2.129 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.188 -10.747 1.460 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.280 -11.582 -0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.112 -12.123 1.120 1.00 0.00 H new ATOM 954 N THR A 61 3.185 -15.874 -0.866 1.00 0.00 N ATOM 955 CA THR A 61 3.887 -16.424 -2.056 1.00 0.00 C ATOM 956 C THR A 61 3.212 -15.874 -3.311 1.00 0.00 C ATOM 957 O THR A 61 2.251 -16.437 -3.797 1.00 0.00 O ATOM 958 CB THR A 61 3.827 -17.948 -2.063 1.00 0.00 C ATOM 959 OG1 THR A 61 3.965 -18.436 -0.736 1.00 0.00 O ATOM 960 CG2 THR A 61 4.968 -18.477 -2.929 1.00 0.00 C ATOM 0 H THR A 61 2.183 -15.725 -0.984 1.00 0.00 H new ATOM 0 HA THR A 61 4.936 -16.128 -2.027 1.00 0.00 H new ATOM 0 HB THR A 61 2.871 -18.283 -2.465 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.925 -19.415 -0.742 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.938 -19.566 -2.944 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.860 -18.097 -3.945 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.921 -18.146 -2.517 1.00 0.00 H new ATOM 968 N PRO A 62 3.727 -14.768 -3.785 1.00 0.00 N ATOM 969 CA PRO A 62 3.179 -14.089 -4.971 1.00 0.00 C ATOM 970 C PRO A 62 3.365 -14.949 -6.221 1.00 0.00 C ATOM 971 O PRO A 62 4.300 -15.716 -6.329 1.00 0.00 O ATOM 972 CB PRO A 62 3.990 -12.793 -5.088 1.00 0.00 C ATOM 973 CG PRO A 62 5.096 -12.831 -4.002 1.00 0.00 C ATOM 974 CD PRO A 62 4.897 -14.108 -3.180 1.00 0.00 C ATOM 0 HA PRO A 62 2.109 -13.902 -4.878 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.431 -12.706 -6.081 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.346 -11.925 -4.948 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.084 -12.822 -4.462 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.034 -11.951 -3.362 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.778 -14.748 -3.224 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.722 -13.878 -2.129 1.00 0.00 H new ATOM 982 N GLN A 63 2.482 -14.814 -7.169 1.00 0.00 N ATOM 983 CA GLN A 63 2.601 -15.609 -8.421 1.00 0.00 C ATOM 984 C GLN A 63 2.697 -14.644 -9.604 1.00 0.00 C ATOM 985 O GLN A 63 3.460 -14.849 -10.527 1.00 0.00 O ATOM 986 CB GLN A 63 1.371 -16.507 -8.581 1.00 0.00 C ATOM 987 CG GLN A 63 0.820 -16.876 -7.200 1.00 0.00 C ATOM 988 CD GLN A 63 -0.282 -17.925 -7.353 1.00 0.00 C ATOM 989 OE1 GLN A 63 -0.342 -18.875 -6.597 1.00 0.00 O ATOM 990 NE2 GLN A 63 -1.164 -17.790 -8.304 1.00 0.00 N ATOM 0 H GLN A 63 1.680 -14.185 -7.130 1.00 0.00 H new ATOM 0 HA GLN A 63 3.491 -16.237 -8.382 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.606 -15.993 -9.163 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.637 -17.410 -9.131 1.00 0.00 H new ATOM 0 HG2 GLN A 63 1.620 -17.263 -6.569 1.00 0.00 H new ATOM 0 HG3 GLN A 63 0.426 -15.988 -6.705 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.113 -16.992 -8.938 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.905 -18.482 -8.414 1.00 0.00 H new ATOM 999 N HIS A 64 1.933 -13.585 -9.573 1.00 0.00 N ATOM 1000 CA HIS A 64 1.977 -12.595 -10.679 1.00 0.00 C ATOM 1001 C HIS A 64 2.174 -11.199 -10.086 1.00 0.00 C ATOM 1002 O HIS A 64 2.281 -11.038 -8.887 1.00 0.00 O ATOM 1003 CB HIS A 64 0.664 -12.639 -11.450 1.00 0.00 C ATOM 1004 CG HIS A 64 0.925 -13.089 -12.860 1.00 0.00 C ATOM 1005 ND1 HIS A 64 0.997 -12.200 -13.919 1.00 0.00 N ATOM 1006 CD2 HIS A 64 1.128 -14.334 -13.400 1.00 0.00 C ATOM 1007 CE1 HIS A 64 1.232 -12.916 -15.033 1.00 0.00 C ATOM 1008 NE2 HIS A 64 1.322 -14.224 -14.773 1.00 0.00 N ATOM 0 H HIS A 64 1.278 -13.365 -8.823 1.00 0.00 H new ATOM 0 HA HIS A 64 2.800 -12.829 -11.355 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.033 -13.320 -10.963 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.198 -11.654 -11.452 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.136 -15.259 -12.843 1.00 0.00 H new ATOM 0 HE1 HIS A 64 1.335 -12.486 -16.018 1.00 0.00 H new ATOM 0 HE2 HIS A 64 1.495 -14.978 -15.437 1.00 0.00 H new ATOM 1016 N PHE A 65 2.229 -10.189 -10.910 1.00 0.00 N ATOM 1017 CA PHE A 65 2.430 -8.810 -10.379 1.00 0.00 C ATOM 1018 C PHE A 65 1.726 -7.793 -11.280 1.00 0.00 C ATOM 1019 O PHE A 65 1.247 -8.119 -12.348 1.00 0.00 O ATOM 1020 CB PHE A 65 3.925 -8.504 -10.355 1.00 0.00 C ATOM 1021 CG PHE A 65 4.546 -9.060 -9.095 1.00 0.00 C ATOM 1022 CD1 PHE A 65 4.758 -10.438 -8.965 1.00 0.00 C ATOM 1023 CD2 PHE A 65 4.908 -8.196 -8.054 1.00 0.00 C ATOM 1024 CE1 PHE A 65 5.328 -10.952 -7.795 1.00 0.00 C ATOM 1025 CE2 PHE A 65 5.480 -8.710 -6.884 1.00 0.00 C ATOM 1026 CZ PHE A 65 5.689 -10.088 -6.754 1.00 0.00 C ATOM 0 H PHE A 65 2.144 -10.258 -11.924 1.00 0.00 H new ATOM 0 HA PHE A 65 2.014 -8.746 -9.374 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.408 -8.938 -11.230 1.00 0.00 H new ATOM 0 HB3 PHE A 65 4.085 -7.427 -10.404 1.00 0.00 H new ATOM 0 HD1 PHE A 65 4.481 -11.105 -9.768 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.746 -7.133 -8.154 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.489 -12.015 -7.695 1.00 0.00 H new ATOM 0 HE2 PHE A 65 5.760 -8.043 -6.082 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.129 -10.485 -5.851 1.00 0.00 H new ATOM 1036 N SER A 66 1.650 -6.563 -10.850 1.00 0.00 N ATOM 1037 CA SER A 66 0.962 -5.526 -11.681 1.00 0.00 C ATOM 1038 C SER A 66 1.398 -4.098 -11.298 1.00 0.00 C ATOM 1039 O SER A 66 0.908 -3.139 -11.858 1.00 0.00 O ATOM 1040 CB SER A 66 -0.534 -5.658 -11.455 1.00 0.00 C ATOM 1041 OG SER A 66 -1.177 -4.442 -11.813 1.00 0.00 O ATOM 0 H SER A 66 2.031 -6.230 -9.965 1.00 0.00 H new ATOM 0 HA SER A 66 1.228 -5.687 -12.726 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.931 -6.481 -12.050 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.735 -5.894 -10.410 1.00 0.00 H new ATOM 0 HG SER A 66 -0.587 -3.919 -12.394 1.00 0.00 H new ATOM 1047 N LEU A 67 2.292 -3.955 -10.346 1.00 0.00 N ATOM 1048 CA LEU A 67 2.762 -2.593 -9.904 1.00 0.00 C ATOM 1049 C LEU A 67 2.681 -1.589 -11.049 1.00 0.00 C ATOM 1050 O LEU A 67 2.843 -1.921 -12.208 1.00 0.00 O ATOM 1051 CB LEU A 67 4.217 -2.687 -9.403 1.00 0.00 C ATOM 1052 CG LEU A 67 4.914 -1.311 -9.459 1.00 0.00 C ATOM 1053 CD1 LEU A 67 4.374 -0.399 -8.357 1.00 0.00 C ATOM 1054 CD2 LEU A 67 6.418 -1.501 -9.261 1.00 0.00 C ATOM 0 H LEU A 67 2.724 -4.733 -9.848 1.00 0.00 H new ATOM 0 HA LEU A 67 2.113 -2.250 -9.098 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.229 -3.063 -8.380 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.769 -3.403 -10.012 1.00 0.00 H new ATOM 0 HG LEU A 67 4.718 -0.853 -10.428 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.874 0.568 -8.408 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.301 -0.261 -8.492 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.561 -0.854 -7.384 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.915 -0.532 -9.300 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.602 -1.965 -8.292 1.00 0.00 H new ATOM 0 HD23 LEU A 67 6.811 -2.142 -10.050 1.00 0.00 H new ATOM 1066 N PHE A 68 2.434 -0.353 -10.719 1.00 0.00 N ATOM 1067 CA PHE A 68 2.336 0.690 -11.750 1.00 0.00 C ATOM 1068 C PHE A 68 3.448 1.710 -11.546 1.00 0.00 C ATOM 1069 O PHE A 68 4.196 2.031 -12.448 1.00 0.00 O ATOM 1070 CB PHE A 68 0.975 1.357 -11.623 1.00 0.00 C ATOM 1071 CG PHE A 68 0.808 2.092 -10.314 1.00 0.00 C ATOM 1072 CD1 PHE A 68 0.656 1.383 -9.115 1.00 0.00 C ATOM 1073 CD2 PHE A 68 0.778 3.491 -10.307 1.00 0.00 C ATOM 1074 CE1 PHE A 68 0.482 2.078 -7.912 1.00 0.00 C ATOM 1075 CE2 PHE A 68 0.601 4.184 -9.106 1.00 0.00 C ATOM 1076 CZ PHE A 68 0.453 3.478 -7.909 1.00 0.00 C ATOM 0 H PHE A 68 2.295 -0.027 -9.763 1.00 0.00 H new ATOM 0 HA PHE A 68 2.442 0.258 -12.745 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.839 2.056 -12.448 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.194 0.602 -11.713 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.673 0.303 -9.119 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.892 4.037 -11.232 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.370 1.534 -6.986 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.579 5.264 -9.103 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.316 4.013 -6.981 1.00 0.00 H new ATOM 1086 N GLU A 69 3.566 2.202 -10.358 1.00 0.00 N ATOM 1087 CA GLU A 69 4.642 3.195 -10.058 1.00 0.00 C ATOM 1088 C GLU A 69 4.583 3.607 -8.585 1.00 0.00 C ATOM 1089 O GLU A 69 3.592 3.403 -7.911 1.00 0.00 O ATOM 1090 CB GLU A 69 4.482 4.428 -10.955 1.00 0.00 C ATOM 1091 CG GLU A 69 3.231 5.208 -10.556 1.00 0.00 C ATOM 1092 CD GLU A 69 3.541 6.706 -10.579 1.00 0.00 C ATOM 1093 OE1 GLU A 69 4.610 7.061 -11.045 1.00 0.00 O ATOM 1094 OE2 GLU A 69 2.703 7.472 -10.134 1.00 0.00 O ATOM 0 H GLU A 69 2.965 1.964 -9.569 1.00 0.00 H new ATOM 0 HA GLU A 69 5.611 2.736 -10.256 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.361 5.067 -10.869 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.412 4.122 -11.999 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.414 4.983 -11.242 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.903 4.908 -9.561 1.00 0.00 H new ATOM 1101 N LYS A 70 5.646 4.170 -8.076 1.00 0.00 N ATOM 1102 CA LYS A 70 5.671 4.580 -6.648 1.00 0.00 C ATOM 1103 C LYS A 70 5.548 6.103 -6.532 1.00 0.00 C ATOM 1104 O LYS A 70 5.375 6.797 -7.514 1.00 0.00 O ATOM 1105 CB LYS A 70 6.993 4.134 -6.012 1.00 0.00 C ATOM 1106 CG LYS A 70 8.045 3.828 -7.088 1.00 0.00 C ATOM 1107 CD LYS A 70 9.320 3.312 -6.421 1.00 0.00 C ATOM 1108 CE LYS A 70 10.031 2.335 -7.360 1.00 0.00 C ATOM 1109 NZ LYS A 70 11.158 3.030 -8.045 1.00 0.00 N ATOM 0 H LYS A 70 6.503 4.363 -8.595 1.00 0.00 H new ATOM 0 HA LYS A 70 4.833 4.112 -6.132 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.363 4.915 -5.348 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.826 3.248 -5.400 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.661 3.085 -7.787 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.262 4.726 -7.666 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.979 4.146 -6.180 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.076 2.817 -5.481 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.406 1.481 -6.796 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.328 1.947 -8.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.640 2.365 -8.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.788 3.831 -8.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.833 3.380 -7.335 1.00 0.00 H new ATOM 1123 N LEU A 71 5.639 6.628 -5.337 1.00 0.00 N ATOM 1124 CA LEU A 71 5.531 8.103 -5.162 1.00 0.00 C ATOM 1125 C LEU A 71 6.408 8.545 -3.991 1.00 0.00 C ATOM 1126 O LEU A 71 7.300 7.839 -3.564 1.00 0.00 O ATOM 1127 CB LEU A 71 4.075 8.486 -4.882 1.00 0.00 C ATOM 1128 CG LEU A 71 3.587 7.779 -3.617 1.00 0.00 C ATOM 1129 CD1 LEU A 71 3.806 8.688 -2.408 1.00 0.00 C ATOM 1130 CD2 LEU A 71 2.094 7.469 -3.752 1.00 0.00 C ATOM 0 H LEU A 71 5.783 6.098 -4.478 1.00 0.00 H new ATOM 0 HA LEU A 71 5.865 8.598 -6.074 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.990 9.566 -4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.447 8.210 -5.729 1.00 0.00 H new ATOM 0 HG LEU A 71 4.144 6.852 -3.482 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.458 8.184 -1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.868 8.914 -2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.248 9.615 -2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.744 6.965 -2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.540 8.398 -3.886 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.933 6.823 -4.615 1.00 0.00 H new ATOM 1142 N GLU A 72 6.156 9.711 -3.470 1.00 0.00 N ATOM 1143 CA GLU A 72 6.969 10.212 -2.325 1.00 0.00 C ATOM 1144 C GLU A 72 6.069 10.993 -1.365 1.00 0.00 C ATOM 1145 O GLU A 72 4.983 11.409 -1.718 1.00 0.00 O ATOM 1146 CB GLU A 72 8.073 11.130 -2.850 1.00 0.00 C ATOM 1147 CG GLU A 72 7.445 12.396 -3.433 1.00 0.00 C ATOM 1148 CD GLU A 72 7.721 13.578 -2.504 1.00 0.00 C ATOM 1149 OE1 GLU A 72 8.782 13.598 -1.901 1.00 0.00 O ATOM 1150 OE2 GLU A 72 6.866 14.444 -2.409 1.00 0.00 O ATOM 0 H GLU A 72 5.420 10.342 -3.787 1.00 0.00 H new ATOM 0 HA GLU A 72 7.416 9.369 -1.798 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.760 11.389 -2.044 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.657 10.616 -3.613 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.855 12.595 -4.423 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.371 12.259 -3.554 1.00 0.00 H new ATOM 1157 N TYR A 73 6.510 11.198 -0.153 1.00 0.00 N ATOM 1158 CA TYR A 73 5.673 11.952 0.823 1.00 0.00 C ATOM 1159 C TYR A 73 6.563 12.865 1.669 1.00 0.00 C ATOM 1160 O TYR A 73 7.767 12.710 1.715 1.00 0.00 O ATOM 1161 CB TYR A 73 4.940 10.966 1.736 1.00 0.00 C ATOM 1162 CG TYR A 73 3.747 11.650 2.360 1.00 0.00 C ATOM 1163 CD1 TYR A 73 2.824 12.322 1.550 1.00 0.00 C ATOM 1164 CD2 TYR A 73 3.562 11.612 3.748 1.00 0.00 C ATOM 1165 CE1 TYR A 73 1.717 12.957 2.125 1.00 0.00 C ATOM 1166 CE2 TYR A 73 2.453 12.247 4.324 1.00 0.00 C ATOM 1167 CZ TYR A 73 1.532 12.919 3.512 1.00 0.00 C ATOM 1168 OH TYR A 73 0.440 13.545 4.080 1.00 0.00 O ATOM 0 H TYR A 73 7.411 10.877 0.202 1.00 0.00 H new ATOM 0 HA TYR A 73 4.946 12.558 0.282 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.616 10.096 1.164 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.613 10.604 2.513 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.966 12.351 0.480 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.273 11.094 4.374 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.006 13.476 1.499 1.00 0.00 H new ATOM 0 HE2 TYR A 73 2.309 12.218 5.394 1.00 0.00 H new ATOM 0 HH TYR A 73 0.461 13.422 5.052 1.00 0.00 H new ATOM 1178 N GLU A 74 5.973 13.816 2.341 1.00 0.00 N ATOM 1179 CA GLU A 74 6.772 14.744 3.190 1.00 0.00 C ATOM 1180 C GLU A 74 5.859 15.372 4.239 1.00 0.00 C ATOM 1181 O GLU A 74 5.021 16.199 3.938 1.00 0.00 O ATOM 1182 CB GLU A 74 7.384 15.842 2.319 1.00 0.00 C ATOM 1183 CG GLU A 74 8.672 16.353 2.969 1.00 0.00 C ATOM 1184 CD GLU A 74 8.754 17.872 2.814 1.00 0.00 C ATOM 1185 OE1 GLU A 74 8.420 18.357 1.746 1.00 0.00 O ATOM 1186 OE2 GLU A 74 9.151 18.524 3.766 1.00 0.00 O ATOM 0 H GLU A 74 4.968 13.990 2.338 1.00 0.00 H new ATOM 0 HA GLU A 74 7.572 14.192 3.682 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.596 15.454 1.323 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.676 16.662 2.198 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.691 16.083 4.025 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.538 15.882 2.504 1.00 0.00 H new ATOM 1193 N PHE A 75 6.019 14.982 5.470 1.00 0.00 N ATOM 1194 CA PHE A 75 5.174 15.542 6.548 1.00 0.00 C ATOM 1195 C PHE A 75 5.720 16.921 6.929 1.00 0.00 C ATOM 1196 O PHE A 75 6.787 17.301 6.490 1.00 0.00 O ATOM 1197 CB PHE A 75 5.249 14.601 7.748 1.00 0.00 C ATOM 1198 CG PHE A 75 4.071 13.652 7.738 1.00 0.00 C ATOM 1199 CD1 PHE A 75 2.764 14.149 7.650 1.00 0.00 C ATOM 1200 CD2 PHE A 75 4.289 12.271 7.820 1.00 0.00 C ATOM 1201 CE1 PHE A 75 1.677 13.266 7.643 1.00 0.00 C ATOM 1202 CE2 PHE A 75 3.202 11.389 7.814 1.00 0.00 C ATOM 1203 CZ PHE A 75 1.897 11.886 7.724 1.00 0.00 C ATOM 0 H PHE A 75 6.706 14.293 5.775 1.00 0.00 H new ATOM 0 HA PHE A 75 4.138 15.642 6.223 1.00 0.00 H new ATOM 0 HB2 PHE A 75 6.181 14.037 7.720 1.00 0.00 H new ATOM 0 HB3 PHE A 75 5.254 15.178 8.673 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.595 15.214 7.588 1.00 0.00 H new ATOM 0 HD2 PHE A 75 5.296 11.886 7.888 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.670 13.650 7.575 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.371 10.324 7.879 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.059 11.205 7.717 1.00 0.00 H new ATOM 1213 N PRO A 76 4.975 17.634 7.735 1.00 0.00 N ATOM 1214 CA PRO A 76 5.377 18.978 8.181 1.00 0.00 C ATOM 1215 C PRO A 76 6.733 18.943 8.893 1.00 0.00 C ATOM 1216 O PRO A 76 7.320 19.969 9.169 1.00 0.00 O ATOM 1217 CB PRO A 76 4.268 19.421 9.146 1.00 0.00 C ATOM 1218 CG PRO A 76 3.197 18.300 9.177 1.00 0.00 C ATOM 1219 CD PRO A 76 3.679 17.167 8.258 1.00 0.00 C ATOM 0 HA PRO A 76 5.494 19.665 7.343 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.674 19.590 10.143 1.00 0.00 H new ATOM 0 HB3 PRO A 76 3.828 20.362 8.817 1.00 0.00 H new ATOM 0 HG2 PRO A 76 3.056 17.934 10.194 1.00 0.00 H new ATOM 0 HG3 PRO A 76 2.234 18.682 8.840 1.00 0.00 H new ATOM 0 HD2 PRO A 76 3.788 16.231 8.807 1.00 0.00 H new ATOM 0 HD3 PRO A 76 2.970 16.983 7.451 1.00 0.00 H new ATOM 1227 N ASP A 77 7.238 17.780 9.199 1.00 0.00 N ATOM 1228 CA ASP A 77 8.552 17.719 9.895 1.00 0.00 C ATOM 1229 C ASP A 77 9.298 16.402 9.615 1.00 0.00 C ATOM 1230 O ASP A 77 10.427 16.235 10.034 1.00 0.00 O ATOM 1231 CB ASP A 77 8.328 17.862 11.401 1.00 0.00 C ATOM 1232 CG ASP A 77 9.509 18.604 12.028 1.00 0.00 C ATOM 1233 OD1 ASP A 77 10.623 18.126 11.891 1.00 0.00 O ATOM 1234 OD2 ASP A 77 9.279 19.636 12.635 1.00 0.00 O ATOM 0 H ASP A 77 6.803 16.879 9.000 1.00 0.00 H new ATOM 0 HA ASP A 77 9.168 18.534 9.516 1.00 0.00 H new ATOM 0 HB2 ASP A 77 7.402 18.405 11.591 1.00 0.00 H new ATOM 0 HB3 ASP A 77 8.220 16.878 11.858 1.00 0.00 H new ATOM 1239 N ARG A 78 8.701 15.463 8.932 1.00 0.00 N ATOM 1240 CA ARG A 78 9.399 14.193 8.667 1.00 0.00 C ATOM 1241 C ARG A 78 9.240 13.820 7.194 1.00 0.00 C ATOM 1242 O ARG A 78 8.660 14.553 6.418 1.00 0.00 O ATOM 1243 CB ARG A 78 8.792 13.103 9.542 1.00 0.00 C ATOM 1244 CG ARG A 78 7.305 13.366 9.816 1.00 0.00 C ATOM 1245 CD ARG A 78 6.911 12.719 11.145 1.00 0.00 C ATOM 1246 NE ARG A 78 5.432 12.794 11.313 1.00 0.00 N ATOM 1247 CZ ARG A 78 4.841 12.061 12.216 1.00 0.00 C ATOM 1248 NH1 ARG A 78 4.740 10.772 12.046 1.00 0.00 N ATOM 1249 NH2 ARG A 78 4.349 12.619 13.289 1.00 0.00 N ATOM 0 H ARG A 78 7.758 15.530 8.549 1.00 0.00 H new ATOM 0 HA ARG A 78 10.460 14.299 8.895 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.908 12.136 9.053 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.333 13.049 10.487 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.114 14.439 9.851 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.697 12.960 9.007 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.238 11.680 11.167 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.408 13.227 11.971 1.00 0.00 H new ATOM 0 HE ARG A 78 4.882 13.418 10.722 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.123 10.337 11.207 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.278 10.199 12.752 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.427 13.627 13.421 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.887 12.046 13.995 1.00 0.00 H new ATOM 1263 N HIS A 79 9.748 12.685 6.799 1.00 0.00 N ATOM 1264 CA HIS A 79 9.617 12.274 5.374 1.00 0.00 C ATOM 1265 C HIS A 79 9.201 10.804 5.306 1.00 0.00 C ATOM 1266 O HIS A 79 9.424 10.040 6.226 1.00 0.00 O ATOM 1267 CB HIS A 79 10.956 12.468 4.663 1.00 0.00 C ATOM 1268 CG HIS A 79 11.619 13.717 5.179 1.00 0.00 C ATOM 1269 ND1 HIS A 79 11.258 15.040 5.121 1.00 0.00 N flip ATOM 1270 CD2 HIS A 79 12.823 13.684 5.863 1.00 0.00 C flip ATOM 1271 CE1 HIS A 79 12.221 15.818 5.757 1.00 0.00 C flip ATOM 1272 NE2 HIS A 79 13.141 14.949 6.186 1.00 0.00 N flip ATOM 0 H HIS A 79 10.246 12.027 7.399 1.00 0.00 H new ATOM 0 HA HIS A 79 8.859 12.885 4.884 1.00 0.00 H new ATOM 0 HB2 HIS A 79 11.599 11.605 4.833 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.801 12.543 3.587 1.00 0.00 H new ATOM 0 HD2 HIS A 79 13.401 12.802 6.095 1.00 0.00 H new ATOM 0 HE1 HIS A 79 12.224 16.891 5.878 1.00 0.00 H new ATOM 0 HE2 HIS A 79 13.983 15.214 6.697 1.00 0.00 H new ATOM 1280 N ILE A 80 8.590 10.400 4.230 1.00 0.00 N ATOM 1281 CA ILE A 80 8.159 8.981 4.117 1.00 0.00 C ATOM 1282 C ILE A 80 8.201 8.540 2.656 1.00 0.00 C ATOM 1283 O ILE A 80 7.242 8.690 1.926 1.00 0.00 O ATOM 1284 CB ILE A 80 6.730 8.843 4.644 1.00 0.00 C ATOM 1285 CG1 ILE A 80 6.694 9.224 6.126 1.00 0.00 C ATOM 1286 CG2 ILE A 80 6.260 7.396 4.478 1.00 0.00 C ATOM 1287 CD1 ILE A 80 7.467 8.184 6.940 1.00 0.00 C ATOM 0 H ILE A 80 8.371 10.988 3.426 1.00 0.00 H new ATOM 0 HA ILE A 80 8.832 8.354 4.702 1.00 0.00 H new ATOM 0 HB ILE A 80 6.071 9.505 4.082 1.00 0.00 H new ATOM 0 HG12 ILE A 80 7.132 10.212 6.269 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.662 9.279 6.473 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.242 7.299 4.854 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.285 7.124 3.423 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.919 6.733 5.039 1.00 0.00 H new ATOM 0 HD11 ILE A 80 7.441 8.456 7.995 1.00 0.00 H new ATOM 0 HD12 ILE A 80 7.009 7.204 6.806 1.00 0.00 H new ATOM 0 HD13 ILE A 80 8.502 8.151 6.599 1.00 0.00 H new ATOM 1299 N THR A 81 9.296 7.981 2.223 1.00 0.00 N ATOM 1300 CA THR A 81 9.377 7.517 0.812 1.00 0.00 C ATOM 1301 C THR A 81 8.654 6.176 0.711 1.00 0.00 C ATOM 1302 O THR A 81 9.236 5.128 0.910 1.00 0.00 O ATOM 1303 CB THR A 81 10.843 7.348 0.405 1.00 0.00 C ATOM 1304 OG1 THR A 81 11.601 8.438 0.914 1.00 0.00 O ATOM 1305 CG2 THR A 81 10.950 7.317 -1.120 1.00 0.00 C ATOM 0 H THR A 81 10.134 7.826 2.783 1.00 0.00 H new ATOM 0 HA THR A 81 8.914 8.246 0.148 1.00 0.00 H new ATOM 0 HB THR A 81 11.230 6.414 0.812 1.00 0.00 H new ATOM 0 HG1 THR A 81 12.123 8.140 1.688 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.994 7.197 -1.409 1.00 0.00 H new ATOM 0 HG22 THR A 81 10.367 6.482 -1.509 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.565 8.250 -1.531 1.00 0.00 H new ATOM 1313 N LEU A 82 7.383 6.201 0.423 1.00 0.00 N ATOM 1314 CA LEU A 82 6.619 4.930 0.334 1.00 0.00 C ATOM 1315 C LEU A 82 6.282 4.636 -1.125 1.00 0.00 C ATOM 1316 O LEU A 82 5.970 5.523 -1.895 1.00 0.00 O ATOM 1317 CB LEU A 82 5.334 5.061 1.156 1.00 0.00 C ATOM 1318 CG LEU A 82 4.341 3.962 0.770 1.00 0.00 C ATOM 1319 CD1 LEU A 82 5.015 2.591 0.881 1.00 0.00 C ATOM 1320 CD2 LEU A 82 3.141 4.017 1.717 1.00 0.00 C ATOM 0 H LEU A 82 6.842 7.047 0.246 1.00 0.00 H new ATOM 0 HA LEU A 82 7.218 4.109 0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.566 4.994 2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.886 6.040 0.989 1.00 0.00 H new ATOM 0 HG LEU A 82 4.010 4.116 -0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.304 1.812 0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.874 2.552 0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.348 2.431 1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.429 3.237 1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.479 3.862 2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.659 4.991 1.637 1.00 0.00 H new ATOM 1332 N TRP A 83 6.344 3.395 -1.507 1.00 0.00 N ATOM 1333 CA TRP A 83 6.031 3.032 -2.914 1.00 0.00 C ATOM 1334 C TRP A 83 4.539 2.741 -3.042 1.00 0.00 C ATOM 1335 O TRP A 83 3.778 2.908 -2.109 1.00 0.00 O ATOM 1336 CB TRP A 83 6.816 1.778 -3.301 1.00 0.00 C ATOM 1337 CG TRP A 83 8.141 1.782 -2.613 1.00 0.00 C ATOM 1338 CD1 TRP A 83 8.549 0.852 -1.721 1.00 0.00 C ATOM 1339 CD2 TRP A 83 9.232 2.741 -2.737 1.00 0.00 C ATOM 1340 NE1 TRP A 83 9.828 1.169 -1.301 1.00 0.00 N ATOM 1341 CE2 TRP A 83 10.290 2.327 -1.896 1.00 0.00 C ATOM 1342 CE3 TRP A 83 9.404 3.917 -3.491 1.00 0.00 C ATOM 1343 CZ2 TRP A 83 11.479 3.050 -1.810 1.00 0.00 C ATOM 1344 CZ3 TRP A 83 10.601 4.648 -3.404 1.00 0.00 C ATOM 1345 CH2 TRP A 83 11.635 4.215 -2.564 1.00 0.00 C ATOM 0 H TRP A 83 6.599 2.613 -0.904 1.00 0.00 H new ATOM 0 HA TRP A 83 6.305 3.858 -3.571 1.00 0.00 H new ATOM 0 HB2 TRP A 83 6.254 0.886 -3.024 1.00 0.00 H new ATOM 0 HB3 TRP A 83 6.956 1.744 -4.381 1.00 0.00 H new ATOM 0 HD1 TRP A 83 7.971 0.001 -1.391 1.00 0.00 H new ATOM 0 HE1 TRP A 83 10.365 0.615 -0.633 1.00 0.00 H new ATOM 0 HE3 TRP A 83 8.612 4.259 -4.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 12.275 2.711 -1.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 10.724 5.548 -3.988 1.00 0.00 H new ATOM 0 HH2 TRP A 83 12.552 4.782 -2.500 1.00 0.00 H new ATOM 1356 N PHE A 84 4.118 2.301 -4.191 1.00 0.00 N ATOM 1357 CA PHE A 84 2.681 1.989 -4.392 1.00 0.00 C ATOM 1358 C PHE A 84 2.584 0.774 -5.308 1.00 0.00 C ATOM 1359 O PHE A 84 2.301 0.894 -6.483 1.00 0.00 O ATOM 1360 CB PHE A 84 2.000 3.180 -5.060 1.00 0.00 C ATOM 1361 CG PHE A 84 0.951 3.760 -4.145 1.00 0.00 C ATOM 1362 CD1 PHE A 84 1.332 4.437 -2.983 1.00 0.00 C ATOM 1363 CD2 PHE A 84 -0.405 3.634 -4.471 1.00 0.00 C ATOM 1364 CE1 PHE A 84 0.357 4.991 -2.146 1.00 0.00 C ATOM 1365 CE2 PHE A 84 -1.380 4.185 -3.633 1.00 0.00 C ATOM 1366 CZ PHE A 84 -0.999 4.865 -2.471 1.00 0.00 C ATOM 0 H PHE A 84 4.712 2.143 -5.005 1.00 0.00 H new ATOM 0 HA PHE A 84 2.197 1.784 -3.437 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.741 3.941 -5.305 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.542 2.867 -5.998 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.378 4.532 -2.731 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.698 3.111 -5.370 1.00 0.00 H new ATOM 0 HE1 PHE A 84 0.651 5.516 -1.249 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.426 4.086 -3.883 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.751 5.293 -1.825 1.00 0.00 H new ATOM 1376 N TRP A 85 2.843 -0.395 -4.794 1.00 0.00 N ATOM 1377 CA TRP A 85 2.790 -1.600 -5.656 1.00 0.00 C ATOM 1378 C TRP A 85 1.353 -2.080 -5.820 1.00 0.00 C ATOM 1379 O TRP A 85 0.482 -1.801 -5.021 1.00 0.00 O ATOM 1380 CB TRP A 85 3.632 -2.710 -5.029 1.00 0.00 C ATOM 1381 CG TRP A 85 5.018 -2.204 -4.788 1.00 0.00 C ATOM 1382 CD1 TRP A 85 5.400 -1.451 -3.729 1.00 0.00 C ATOM 1383 CD2 TRP A 85 6.209 -2.399 -5.602 1.00 0.00 C ATOM 1384 NE1 TRP A 85 6.752 -1.175 -3.843 1.00 0.00 N ATOM 1385 CE2 TRP A 85 7.293 -1.738 -4.982 1.00 0.00 C ATOM 1386 CE3 TRP A 85 6.449 -3.081 -6.808 1.00 0.00 C ATOM 1387 CZ2 TRP A 85 8.572 -1.750 -5.537 1.00 0.00 C ATOM 1388 CZ3 TRP A 85 7.735 -3.098 -7.370 1.00 0.00 C ATOM 1389 CH2 TRP A 85 8.794 -2.433 -6.736 1.00 0.00 C ATOM 0 H TRP A 85 3.088 -0.565 -3.818 1.00 0.00 H new ATOM 0 HA TRP A 85 3.186 -1.346 -6.639 1.00 0.00 H new ATOM 0 HB2 TRP A 85 3.184 -3.036 -4.091 1.00 0.00 H new ATOM 0 HB3 TRP A 85 3.659 -3.578 -5.688 1.00 0.00 H new ATOM 0 HD1 TRP A 85 4.756 -1.120 -2.928 1.00 0.00 H new ATOM 0 HE1 TRP A 85 7.283 -0.624 -3.169 1.00 0.00 H new ATOM 0 HE3 TRP A 85 5.639 -3.595 -7.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 9.384 -1.236 -5.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 7.910 -3.626 -8.296 1.00 0.00 H new ATOM 0 HH2 TRP A 85 9.781 -2.449 -7.174 1.00 0.00 H new ATOM 1400 N LEU A 86 1.122 -2.812 -6.863 1.00 0.00 N ATOM 1401 CA LEU A 86 -0.228 -3.353 -7.147 1.00 0.00 C ATOM 1402 C LEU A 86 -0.031 -4.661 -7.895 1.00 0.00 C ATOM 1403 O LEU A 86 0.214 -4.666 -9.082 1.00 0.00 O ATOM 1404 CB LEU A 86 -1.002 -2.364 -8.025 1.00 0.00 C ATOM 1405 CG LEU A 86 -2.466 -2.307 -7.582 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -2.535 -1.990 -6.094 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -3.196 -1.209 -8.355 1.00 0.00 C ATOM 0 H LEU A 86 1.832 -3.066 -7.550 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.792 -3.511 -6.228 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.553 -1.373 -7.954 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.941 -2.668 -9.070 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.936 -3.271 -7.779 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.578 -1.949 -5.779 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.016 -2.766 -5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.061 -1.027 -5.905 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.238 -1.171 -8.037 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.721 -0.248 -8.157 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.150 -1.424 -9.423 1.00 0.00 H new ATOM 1419 N VAL A 87 -0.096 -5.767 -7.212 1.00 0.00 N ATOM 1420 CA VAL A 87 0.123 -7.063 -7.899 1.00 0.00 C ATOM 1421 C VAL A 87 -1.216 -7.648 -8.338 1.00 0.00 C ATOM 1422 O VAL A 87 -2.259 -7.066 -8.121 1.00 0.00 O ATOM 1423 CB VAL A 87 0.817 -8.020 -6.946 1.00 0.00 C ATOM 1424 CG1 VAL A 87 2.259 -7.567 -6.704 1.00 0.00 C ATOM 1425 CG2 VAL A 87 0.064 -8.051 -5.627 1.00 0.00 C ATOM 0 H VAL A 87 -0.290 -5.828 -6.213 1.00 0.00 H new ATOM 0 HA VAL A 87 0.746 -6.910 -8.780 1.00 0.00 H new ATOM 0 HB VAL A 87 0.829 -9.018 -7.385 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.748 -8.260 -6.019 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.799 -7.551 -7.651 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.258 -6.567 -6.269 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.560 -8.737 -4.941 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.049 -7.051 -5.193 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.959 -8.387 -5.800 1.00 0.00 H new ATOM 1435 N GLU A 88 -1.195 -8.780 -8.989 1.00 0.00 N ATOM 1436 CA GLU A 88 -2.466 -9.366 -9.473 1.00 0.00 C ATOM 1437 C GLU A 88 -2.847 -10.646 -8.710 1.00 0.00 C ATOM 1438 O GLU A 88 -4.011 -10.975 -8.614 1.00 0.00 O ATOM 1439 CB GLU A 88 -2.298 -9.698 -10.952 1.00 0.00 C ATOM 1440 CG GLU A 88 -3.625 -9.483 -11.664 1.00 0.00 C ATOM 1441 CD GLU A 88 -3.472 -8.386 -12.718 1.00 0.00 C ATOM 1442 OE1 GLU A 88 -3.267 -7.247 -12.334 1.00 0.00 O ATOM 1443 OE2 GLU A 88 -3.566 -8.703 -13.892 1.00 0.00 O ATOM 0 H GLU A 88 -0.355 -9.318 -9.203 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.264 -8.642 -9.310 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.527 -9.066 -11.394 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.970 -10.731 -11.071 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.951 -10.411 -12.135 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.394 -9.204 -10.944 1.00 0.00 H new ATOM 1450 N ARG A 89 -1.900 -11.388 -8.190 1.00 0.00 N ATOM 1451 CA ARG A 89 -2.263 -12.646 -7.476 1.00 0.00 C ATOM 1452 C ARG A 89 -1.114 -13.112 -6.578 1.00 0.00 C ATOM 1453 O ARG A 89 0.042 -12.835 -6.829 1.00 0.00 O ATOM 1454 CB ARG A 89 -2.545 -13.739 -8.509 1.00 0.00 C ATOM 1455 CG ARG A 89 -3.957 -13.571 -9.061 1.00 0.00 C ATOM 1456 CD ARG A 89 -3.888 -12.915 -10.440 1.00 0.00 C ATOM 1457 NE ARG A 89 -5.189 -12.256 -10.746 1.00 0.00 N ATOM 1458 CZ ARG A 89 -6.310 -12.817 -10.384 1.00 0.00 C ATOM 1459 NH1 ARG A 89 -6.847 -13.742 -11.130 1.00 0.00 N ATOM 1460 NH2 ARG A 89 -6.894 -12.455 -9.275 1.00 0.00 N ATOM 0 H ARG A 89 -0.903 -11.178 -8.229 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.142 -12.456 -6.860 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.818 -13.683 -9.319 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -2.437 -14.722 -8.051 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.450 -14.541 -9.132 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -4.554 -12.959 -8.384 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -3.082 -12.181 -10.465 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -3.661 -13.664 -11.199 1.00 0.00 H new ATOM 0 HE ARG A 89 -5.203 -11.364 -11.240 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.391 -14.027 -11.997 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -7.723 -14.181 -10.847 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -6.474 -11.733 -8.690 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -7.770 -12.894 -8.993 1.00 0.00 H new ATOM 1474 N TRP A 90 -1.434 -13.838 -5.539 1.00 0.00 N ATOM 1475 CA TRP A 90 -0.378 -14.351 -4.630 1.00 0.00 C ATOM 1476 C TRP A 90 -0.937 -15.501 -3.794 1.00 0.00 C ATOM 1477 O TRP A 90 -1.989 -16.035 -4.081 1.00 0.00 O ATOM 1478 CB TRP A 90 0.150 -13.233 -3.720 1.00 0.00 C ATOM 1479 CG TRP A 90 -0.904 -12.724 -2.779 1.00 0.00 C ATOM 1480 CD1 TRP A 90 -0.781 -12.746 -1.435 1.00 0.00 C ATOM 1481 CD2 TRP A 90 -2.202 -12.100 -3.055 1.00 0.00 C ATOM 1482 NE1 TRP A 90 -1.898 -12.181 -0.861 1.00 0.00 N ATOM 1483 CE2 TRP A 90 -2.813 -11.780 -1.813 1.00 0.00 C ATOM 1484 CE3 TRP A 90 -2.911 -11.784 -4.236 1.00 0.00 C ATOM 1485 CZ2 TRP A 90 -4.067 -11.175 -1.744 1.00 0.00 C ATOM 1486 CZ3 TRP A 90 -4.176 -11.175 -4.162 1.00 0.00 C ATOM 1487 CH2 TRP A 90 -4.753 -10.877 -2.922 1.00 0.00 C ATOM 0 H TRP A 90 -2.387 -14.097 -5.283 1.00 0.00 H new ATOM 0 HA TRP A 90 0.456 -14.716 -5.230 1.00 0.00 H new ATOM 0 HB2 TRP A 90 0.999 -13.604 -3.146 1.00 0.00 H new ATOM 0 HB3 TRP A 90 0.516 -12.410 -4.333 1.00 0.00 H new ATOM 0 HD1 TRP A 90 0.064 -13.145 -0.893 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -2.032 -12.072 0.144 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -2.479 -12.011 -5.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -4.505 -10.939 -0.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -4.708 -10.935 -5.071 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -5.729 -10.417 -2.877 1.00 0.00 H new ATOM 1498 N GLU A 91 -0.232 -15.901 -2.776 1.00 0.00 N ATOM 1499 CA GLU A 91 -0.716 -17.037 -1.937 1.00 0.00 C ATOM 1500 C GLU A 91 -1.571 -16.508 -0.777 1.00 0.00 C ATOM 1501 O GLU A 91 -2.697 -16.101 -0.975 1.00 0.00 O ATOM 1502 CB GLU A 91 0.489 -17.810 -1.398 1.00 0.00 C ATOM 1503 CG GLU A 91 0.000 -18.970 -0.540 1.00 0.00 C ATOM 1504 CD GLU A 91 1.126 -19.435 0.383 1.00 0.00 C ATOM 1505 OE1 GLU A 91 1.723 -18.589 1.029 1.00 0.00 O ATOM 1506 OE2 GLU A 91 1.376 -20.629 0.428 1.00 0.00 O ATOM 0 H GLU A 91 0.657 -15.494 -2.486 1.00 0.00 H new ATOM 0 HA GLU A 91 -1.331 -17.703 -2.542 1.00 0.00 H new ATOM 0 HB2 GLU A 91 1.095 -18.183 -2.224 1.00 0.00 H new ATOM 0 HB3 GLU A 91 1.125 -17.150 -0.809 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.863 -18.661 0.050 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.326 -19.793 -1.175 1.00 0.00 H new ATOM 1513 N GLY A 92 -1.050 -16.509 0.427 1.00 0.00 N ATOM 1514 CA GLY A 92 -1.840 -15.994 1.587 1.00 0.00 C ATOM 1515 C GLY A 92 -2.506 -14.675 1.180 1.00 0.00 C ATOM 1516 O GLY A 92 -2.245 -14.172 0.121 1.00 0.00 O ATOM 0 H GLY A 92 -0.114 -16.844 0.655 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.594 -16.723 1.884 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.190 -15.839 2.448 1.00 0.00 H new ATOM 1520 N GLU A 93 -3.362 -14.105 2.000 1.00 0.00 N ATOM 1521 CA GLU A 93 -4.009 -12.819 1.620 1.00 0.00 C ATOM 1522 C GLU A 93 -3.613 -11.630 2.551 1.00 0.00 C ATOM 1523 O GLU A 93 -4.398 -10.713 2.697 1.00 0.00 O ATOM 1524 CB GLU A 93 -5.525 -13.002 1.689 1.00 0.00 C ATOM 1525 CG GLU A 93 -5.885 -14.181 2.597 1.00 0.00 C ATOM 1526 CD GLU A 93 -7.389 -14.448 2.510 1.00 0.00 C ATOM 1527 OE1 GLU A 93 -8.144 -13.493 2.567 1.00 0.00 O ATOM 1528 OE2 GLU A 93 -7.759 -15.604 2.385 1.00 0.00 O ATOM 0 H GLU A 93 -3.635 -14.478 2.909 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.669 -12.570 0.615 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.990 -12.091 2.066 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -5.922 -13.172 0.688 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.329 -15.069 2.296 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -5.602 -13.961 3.626 1.00 0.00 H new ATOM 1535 N PRO A 94 -2.427 -11.646 3.149 1.00 0.00 N ATOM 1536 CA PRO A 94 -1.968 -10.552 4.037 1.00 0.00 C ATOM 1537 C PRO A 94 -1.217 -9.508 3.179 1.00 0.00 C ATOM 1538 O PRO A 94 -1.752 -9.011 2.215 1.00 0.00 O ATOM 1539 CB PRO A 94 -1.003 -11.275 4.982 1.00 0.00 C ATOM 1540 CG PRO A 94 -0.460 -12.483 4.181 1.00 0.00 C ATOM 1541 CD PRO A 94 -1.445 -12.729 3.029 1.00 0.00 C ATOM 0 HA PRO A 94 -2.762 -10.025 4.566 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.193 -10.616 5.294 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -1.514 -11.603 5.887 1.00 0.00 H new ATOM 0 HG2 PRO A 94 0.539 -12.275 3.798 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -0.381 -13.365 4.817 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -0.941 -12.703 2.063 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -1.920 -13.707 3.114 1.00 0.00 H new ATOM 1549 N TRP A 95 0.023 -9.199 3.503 1.00 0.00 N ATOM 1550 CA TRP A 95 0.824 -8.244 2.696 1.00 0.00 C ATOM 1551 C TRP A 95 0.575 -6.808 3.116 1.00 0.00 C ATOM 1552 O TRP A 95 -0.069 -6.039 2.432 1.00 0.00 O ATOM 1553 CB TRP A 95 0.552 -8.426 1.209 1.00 0.00 C ATOM 1554 CG TRP A 95 1.869 -8.631 0.540 1.00 0.00 C ATOM 1555 CD1 TRP A 95 2.819 -9.486 0.980 1.00 0.00 C ATOM 1556 CD2 TRP A 95 2.412 -7.983 -0.646 1.00 0.00 C ATOM 1557 NE1 TRP A 95 3.912 -9.414 0.141 1.00 0.00 N ATOM 1558 CE2 TRP A 95 3.711 -8.499 -0.880 1.00 0.00 C ATOM 1559 CE3 TRP A 95 1.912 -7.013 -1.533 1.00 0.00 C ATOM 1560 CZ2 TRP A 95 4.486 -8.063 -1.957 1.00 0.00 C ATOM 1561 CZ3 TRP A 95 2.690 -6.573 -2.617 1.00 0.00 C ATOM 1562 CH2 TRP A 95 3.973 -7.098 -2.827 1.00 0.00 C ATOM 0 H TRP A 95 0.513 -9.582 4.311 1.00 0.00 H new ATOM 0 HA TRP A 95 1.875 -8.463 2.882 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.102 -9.281 1.040 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.046 -7.551 0.801 1.00 0.00 H new ATOM 0 HD1 TRP A 95 2.736 -10.123 1.848 1.00 0.00 H new ATOM 0 HE1 TRP A 95 4.762 -9.966 0.258 1.00 0.00 H new ATOM 0 HE3 TRP A 95 0.924 -6.604 -1.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 5.474 -8.469 -2.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 2.298 -5.827 -3.292 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.566 -6.756 -3.663 1.00 0.00 H new ATOM 1573 N GLY A 96 1.137 -6.440 4.225 1.00 0.00 N ATOM 1574 CA GLY A 96 1.007 -5.046 4.703 1.00 0.00 C ATOM 1575 C GLY A 96 1.333 -4.973 6.196 1.00 0.00 C ATOM 1576 O GLY A 96 2.415 -5.329 6.619 1.00 0.00 O ATOM 0 H GLY A 96 1.687 -7.053 4.827 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.680 -4.396 4.143 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.006 -4.685 4.525 1.00 0.00 H new ATOM 1580 N LYS A 97 0.416 -4.507 6.998 1.00 0.00 N ATOM 1581 CA LYS A 97 0.691 -4.406 8.461 1.00 0.00 C ATOM 1582 C LYS A 97 0.174 -5.655 9.178 1.00 0.00 C ATOM 1583 O LYS A 97 -0.832 -6.225 8.807 1.00 0.00 O ATOM 1584 CB LYS A 97 -0.011 -3.171 9.025 1.00 0.00 C ATOM 1585 CG LYS A 97 1.025 -2.230 9.642 1.00 0.00 C ATOM 1586 CD LYS A 97 0.335 -1.301 10.643 1.00 0.00 C ATOM 1587 CE LYS A 97 1.341 -0.275 11.163 1.00 0.00 C ATOM 1588 NZ LYS A 97 0.610 0.844 11.821 1.00 0.00 N ATOM 0 H LYS A 97 -0.509 -4.192 6.706 1.00 0.00 H new ATOM 0 HA LYS A 97 1.766 -4.323 8.618 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.558 -2.658 8.234 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.742 -3.467 9.777 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.804 -2.806 10.141 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.512 -1.645 8.862 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.504 -0.794 10.166 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.072 -1.880 11.472 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.023 -0.745 11.871 1.00 0.00 H new ATOM 0 HE3 LYS A 97 1.947 0.105 10.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 1.293 1.544 12.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.024 1.297 11.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.050 0.473 12.615 1.00 0.00 H new ATOM 1602 N GLU A 98 0.854 -6.080 10.209 1.00 0.00 N ATOM 1603 CA GLU A 98 0.402 -7.287 10.957 1.00 0.00 C ATOM 1604 C GLU A 98 -0.551 -6.858 12.074 1.00 0.00 C ATOM 1605 O GLU A 98 -1.485 -7.558 12.412 1.00 0.00 O ATOM 1606 CB GLU A 98 1.614 -7.998 11.565 1.00 0.00 C ATOM 1607 CG GLU A 98 2.262 -7.096 12.618 1.00 0.00 C ATOM 1608 CD GLU A 98 3.401 -7.852 13.306 1.00 0.00 C ATOM 1609 OE1 GLU A 98 4.352 -8.197 12.625 1.00 0.00 O ATOM 1610 OE2 GLU A 98 3.302 -8.074 14.502 1.00 0.00 O ATOM 0 H GLU A 98 1.704 -5.642 10.565 1.00 0.00 H new ATOM 0 HA GLU A 98 -0.111 -7.967 10.277 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.306 -8.940 12.018 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.336 -8.240 10.785 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.644 -6.189 12.150 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.520 -6.787 13.354 1.00 0.00 H new ATOM 1617 N GLY A 99 -0.324 -5.708 12.647 1.00 0.00 N ATOM 1618 CA GLY A 99 -1.220 -5.230 13.737 1.00 0.00 C ATOM 1619 C GLY A 99 -2.387 -4.457 13.128 1.00 0.00 C ATOM 1620 O GLY A 99 -3.350 -4.135 13.794 1.00 0.00 O ATOM 0 H GLY A 99 0.443 -5.079 12.408 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -1.591 -6.076 14.315 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -0.666 -4.592 14.425 1.00 0.00 H new ATOM 1624 N GLN A 100 -2.306 -4.156 11.861 1.00 0.00 N ATOM 1625 CA GLN A 100 -3.401 -3.407 11.197 1.00 0.00 C ATOM 1626 C GLN A 100 -4.251 -4.378 10.365 1.00 0.00 C ATOM 1627 O GLN A 100 -3.775 -4.927 9.390 1.00 0.00 O ATOM 1628 CB GLN A 100 -2.791 -2.354 10.275 1.00 0.00 C ATOM 1629 CG GLN A 100 -3.859 -1.326 9.921 1.00 0.00 C ATOM 1630 CD GLN A 100 -3.192 -0.010 9.518 1.00 0.00 C ATOM 1631 OE1 GLN A 100 -3.396 0.478 8.423 1.00 0.00 O ATOM 1632 NE2 GLN A 100 -2.401 0.593 10.363 1.00 0.00 N ATOM 0 H GLN A 100 -1.522 -4.400 11.256 1.00 0.00 H new ATOM 0 HA GLN A 100 -4.029 -2.926 11.947 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -1.948 -1.867 10.765 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -2.406 -2.824 9.370 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -4.478 -1.697 9.104 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -4.519 -1.165 10.773 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.229 0.184 11.282 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -1.954 1.473 10.105 1.00 0.00 H new ATOM 1641 N PRO A 101 -5.484 -4.570 10.773 1.00 0.00 N ATOM 1642 CA PRO A 101 -6.408 -5.482 10.071 1.00 0.00 C ATOM 1643 C PRO A 101 -6.681 -4.987 8.648 1.00 0.00 C ATOM 1644 O PRO A 101 -7.458 -4.077 8.437 1.00 0.00 O ATOM 1645 CB PRO A 101 -7.699 -5.446 10.898 1.00 0.00 C ATOM 1646 CG PRO A 101 -7.497 -4.423 12.045 1.00 0.00 C ATOM 1647 CD PRO A 101 -6.054 -3.902 11.957 1.00 0.00 C ATOM 0 HA PRO A 101 -5.997 -6.488 9.982 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.545 -5.158 10.274 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.922 -6.434 11.302 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.207 -3.601 11.954 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.676 -4.893 13.012 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -6.031 -2.818 11.849 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -5.490 -4.145 12.858 1.00 0.00 H new ATOM 1655 N GLY A 102 -6.064 -5.587 7.666 1.00 0.00 N ATOM 1656 CA GLY A 102 -6.314 -5.151 6.264 1.00 0.00 C ATOM 1657 C GLY A 102 -7.772 -5.455 5.913 1.00 0.00 C ATOM 1658 O GLY A 102 -8.473 -6.091 6.676 1.00 0.00 O ATOM 0 H GLY A 102 -5.402 -6.355 7.773 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -6.113 -4.085 6.157 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.643 -5.672 5.580 1.00 0.00 H new ATOM 1662 N GLU A 103 -8.253 -5.015 4.778 1.00 0.00 N ATOM 1663 CA GLU A 103 -9.673 -5.308 4.438 1.00 0.00 C ATOM 1664 C GLU A 103 -9.827 -5.482 2.930 1.00 0.00 C ATOM 1665 O GLU A 103 -9.322 -4.705 2.144 1.00 0.00 O ATOM 1666 CB GLU A 103 -10.575 -4.166 4.916 1.00 0.00 C ATOM 1667 CG GLU A 103 -9.851 -2.829 4.757 1.00 0.00 C ATOM 1668 CD GLU A 103 -10.534 -1.776 5.631 1.00 0.00 C ATOM 1669 OE1 GLU A 103 -11.228 -2.163 6.557 1.00 0.00 O ATOM 1670 OE2 GLU A 103 -10.353 -0.600 5.359 1.00 0.00 O ATOM 0 H GLU A 103 -7.734 -4.476 4.085 1.00 0.00 H new ATOM 0 HA GLU A 103 -9.967 -6.231 4.937 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -11.501 -4.158 4.342 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -10.848 -4.320 5.960 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -8.805 -2.933 5.044 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -9.866 -2.516 3.713 1.00 0.00 H new ATOM 1677 N TRP A 104 -10.529 -6.499 2.523 1.00 0.00 N ATOM 1678 CA TRP A 104 -10.732 -6.732 1.064 1.00 0.00 C ATOM 1679 C TRP A 104 -11.872 -5.840 0.569 1.00 0.00 C ATOM 1680 O TRP A 104 -13.031 -6.191 0.665 1.00 0.00 O ATOM 1681 CB TRP A 104 -11.088 -8.203 0.790 1.00 0.00 C ATOM 1682 CG TRP A 104 -10.768 -9.053 1.980 1.00 0.00 C ATOM 1683 CD1 TRP A 104 -9.599 -9.029 2.663 1.00 0.00 C ATOM 1684 CD2 TRP A 104 -11.606 -10.045 2.637 1.00 0.00 C ATOM 1685 NE1 TRP A 104 -9.670 -9.942 3.699 1.00 0.00 N ATOM 1686 CE2 TRP A 104 -10.887 -10.594 3.725 1.00 0.00 C ATOM 1687 CE3 TRP A 104 -12.909 -10.515 2.398 1.00 0.00 C ATOM 1688 CZ2 TRP A 104 -11.442 -11.577 4.546 1.00 0.00 C ATOM 1689 CZ3 TRP A 104 -13.470 -11.504 3.222 1.00 0.00 C ATOM 1690 CH2 TRP A 104 -12.737 -12.034 4.293 1.00 0.00 C ATOM 0 H TRP A 104 -10.973 -7.182 3.137 1.00 0.00 H new ATOM 0 HA TRP A 104 -9.807 -6.493 0.539 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -12.148 -8.288 0.550 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -10.535 -8.561 -0.079 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -8.751 -8.400 2.436 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -8.915 -10.113 4.363 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -13.482 -10.113 1.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -10.874 -11.981 5.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -14.472 -11.858 3.030 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -13.174 -12.795 4.922 1.00 0.00 H new ATOM 1701 N MET A 105 -11.558 -4.684 0.045 1.00 0.00 N ATOM 1702 CA MET A 105 -12.617 -3.776 -0.446 1.00 0.00 C ATOM 1703 C MET A 105 -12.990 -4.156 -1.880 1.00 0.00 C ATOM 1704 O MET A 105 -12.325 -4.950 -2.515 1.00 0.00 O ATOM 1705 CB MET A 105 -12.077 -2.352 -0.416 1.00 0.00 C ATOM 1706 CG MET A 105 -10.713 -2.307 -1.106 1.00 0.00 C ATOM 1707 SD MET A 105 -10.713 -0.995 -2.353 1.00 0.00 S ATOM 1708 CE MET A 105 -10.297 0.375 -1.245 1.00 0.00 C ATOM 0 H MET A 105 -10.606 -4.335 -0.061 1.00 0.00 H new ATOM 0 HA MET A 105 -13.504 -3.854 0.183 1.00 0.00 H new ATOM 0 HB2 MET A 105 -12.772 -1.678 -0.917 1.00 0.00 H new ATOM 0 HB3 MET A 105 -11.986 -2.008 0.614 1.00 0.00 H new ATOM 0 HG2 MET A 105 -9.928 -2.126 -0.372 1.00 0.00 H new ATOM 0 HG3 MET A 105 -10.498 -3.268 -1.573 1.00 0.00 H new ATOM 0 HE1 MET A 105 -10.892 1.249 -1.508 1.00 0.00 H new ATOM 0 HE2 MET A 105 -10.510 0.088 -0.215 1.00 0.00 H new ATOM 0 HE3 MET A 105 -9.238 0.614 -1.343 1.00 0.00 H new ATOM 1718 N SER A 106 -14.050 -3.597 -2.396 1.00 0.00 N ATOM 1719 CA SER A 106 -14.459 -3.929 -3.787 1.00 0.00 C ATOM 1720 C SER A 106 -13.919 -2.869 -4.747 1.00 0.00 C ATOM 1721 O SER A 106 -13.839 -1.701 -4.421 1.00 0.00 O ATOM 1722 CB SER A 106 -15.984 -3.967 -3.877 1.00 0.00 C ATOM 1723 OG SER A 106 -16.391 -5.222 -4.407 1.00 0.00 O ATOM 0 H SER A 106 -14.649 -2.926 -1.914 1.00 0.00 H new ATOM 0 HA SER A 106 -14.055 -4.904 -4.059 1.00 0.00 H new ATOM 0 HB2 SER A 106 -16.422 -3.816 -2.890 1.00 0.00 H new ATOM 0 HB3 SER A 106 -16.343 -3.157 -4.512 1.00 0.00 H new ATOM 0 HG SER A 106 -16.094 -5.941 -3.811 1.00 0.00 H new ATOM 1729 N LEU A 107 -13.558 -3.269 -5.934 1.00 0.00 N ATOM 1730 CA LEU A 107 -13.033 -2.298 -6.929 1.00 0.00 C ATOM 1731 C LEU A 107 -14.149 -1.971 -7.917 1.00 0.00 C ATOM 1732 O LEU A 107 -14.046 -2.230 -9.099 1.00 0.00 O ATOM 1733 CB LEU A 107 -11.853 -2.921 -7.676 1.00 0.00 C ATOM 1734 CG LEU A 107 -10.863 -1.827 -8.073 1.00 0.00 C ATOM 1735 CD1 LEU A 107 -9.497 -2.453 -8.364 1.00 0.00 C ATOM 1736 CD2 LEU A 107 -11.374 -1.112 -9.324 1.00 0.00 C ATOM 0 H LEU A 107 -13.605 -4.235 -6.258 1.00 0.00 H new ATOM 0 HA LEU A 107 -12.697 -1.390 -6.429 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -11.360 -3.661 -7.045 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -12.207 -3.445 -8.564 1.00 0.00 H new ATOM 0 HG LEU A 107 -10.765 -1.111 -7.257 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.792 -1.672 -8.647 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -9.134 -2.964 -7.473 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -9.592 -3.170 -9.180 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.670 -0.331 -9.610 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -11.471 -1.829 -10.139 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -12.346 -0.666 -9.116 1.00 0.00 H new ATOM 1748 N VAL A 108 -15.222 -1.416 -7.432 1.00 0.00 N ATOM 1749 CA VAL A 108 -16.364 -1.081 -8.331 1.00 0.00 C ATOM 1750 C VAL A 108 -16.303 0.399 -8.703 1.00 0.00 C ATOM 1751 O VAL A 108 -16.793 0.811 -9.735 1.00 0.00 O ATOM 1752 CB VAL A 108 -17.684 -1.371 -7.612 1.00 0.00 C ATOM 1753 CG1 VAL A 108 -18.845 -1.231 -8.597 1.00 0.00 C ATOM 1754 CG2 VAL A 108 -17.660 -2.795 -7.053 1.00 0.00 C ATOM 0 H VAL A 108 -15.360 -1.178 -6.450 1.00 0.00 H new ATOM 0 HA VAL A 108 -16.302 -1.686 -9.235 1.00 0.00 H new ATOM 0 HB VAL A 108 -17.814 -0.662 -6.795 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -19.784 -1.438 -8.084 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -18.864 -0.216 -8.995 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -18.715 -1.939 -9.415 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -18.600 -3.001 -6.541 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -17.529 -3.504 -7.870 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -16.834 -2.896 -6.349 1.00 0.00 H new ATOM 1764 N GLY A 109 -15.704 1.199 -7.870 1.00 0.00 N ATOM 1765 CA GLY A 109 -15.605 2.652 -8.170 1.00 0.00 C ATOM 1766 C GLY A 109 -14.518 3.263 -7.293 1.00 0.00 C ATOM 1767 O GLY A 109 -14.648 4.368 -6.803 1.00 0.00 O ATOM 0 H GLY A 109 -15.277 0.908 -6.991 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -15.370 2.804 -9.223 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -16.561 3.142 -7.983 1.00 0.00 H new ATOM 1771 N LEU A 110 -13.448 2.547 -7.081 1.00 0.00 N ATOM 1772 CA LEU A 110 -12.355 3.074 -6.231 1.00 0.00 C ATOM 1773 C LEU A 110 -12.097 4.544 -6.577 1.00 0.00 C ATOM 1774 O LEU A 110 -12.224 4.951 -7.715 1.00 0.00 O ATOM 1775 CB LEU A 110 -11.090 2.259 -6.483 1.00 0.00 C ATOM 1776 CG LEU A 110 -10.648 1.599 -5.180 1.00 0.00 C ATOM 1777 CD1 LEU A 110 -9.441 0.698 -5.446 1.00 0.00 C ATOM 1778 CD2 LEU A 110 -10.266 2.681 -4.166 1.00 0.00 C ATOM 0 H LEU A 110 -13.287 1.615 -7.464 1.00 0.00 H new ATOM 0 HA LEU A 110 -12.638 2.998 -5.181 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -11.278 1.500 -7.243 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -10.298 2.904 -6.865 1.00 0.00 H new ATOM 0 HG LEU A 110 -11.466 0.999 -4.781 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -9.126 0.227 -4.515 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -9.714 -0.072 -6.168 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -8.622 1.296 -5.845 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -9.950 2.211 -3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -9.449 3.281 -4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -11.127 3.321 -3.975 1.00 0.00 H new ATOM 1790 N ASN A 111 -11.738 5.345 -5.611 1.00 0.00 N ATOM 1791 CA ASN A 111 -11.478 6.785 -5.900 1.00 0.00 C ATOM 1792 C ASN A 111 -10.556 7.377 -4.829 1.00 0.00 C ATOM 1793 O ASN A 111 -10.386 6.819 -3.762 1.00 0.00 O ATOM 1794 CB ASN A 111 -12.804 7.550 -5.909 1.00 0.00 C ATOM 1795 CG ASN A 111 -12.758 8.643 -6.978 1.00 0.00 C ATOM 1796 OD1 ASN A 111 -12.895 8.366 -8.151 1.00 0.00 O ATOM 1797 ND2 ASN A 111 -12.567 9.883 -6.618 1.00 0.00 N ATOM 0 H ASN A 111 -11.614 5.067 -4.638 1.00 0.00 H new ATOM 0 HA ASN A 111 -10.996 6.872 -6.874 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -13.629 6.866 -6.109 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -12.987 7.992 -4.930 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -12.533 10.619 -7.323 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -12.452 10.116 -5.632 1.00 0.00 H new ATOM 1804 N ALA A 112 -9.963 8.509 -5.106 1.00 0.00 N ATOM 1805 CA ALA A 112 -9.055 9.147 -4.109 1.00 0.00 C ATOM 1806 C ALA A 112 -9.850 9.474 -2.841 1.00 0.00 C ATOM 1807 O ALA A 112 -9.292 9.743 -1.797 1.00 0.00 O ATOM 1808 CB ALA A 112 -8.487 10.442 -4.693 1.00 0.00 C ATOM 0 H ALA A 112 -10.069 9.020 -5.982 1.00 0.00 H new ATOM 0 HA ALA A 112 -8.239 8.465 -3.869 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.823 10.909 -3.965 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -7.928 10.217 -5.602 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -9.304 11.124 -4.929 1.00 0.00 H new ATOM 1814 N ASP A 113 -11.154 9.460 -2.933 1.00 0.00 N ATOM 1815 CA ASP A 113 -11.997 9.772 -1.747 1.00 0.00 C ATOM 1816 C ASP A 113 -11.858 8.655 -0.719 1.00 0.00 C ATOM 1817 O ASP A 113 -11.897 8.885 0.474 1.00 0.00 O ATOM 1818 CB ASP A 113 -13.453 9.879 -2.188 1.00 0.00 C ATOM 1819 CG ASP A 113 -14.216 10.793 -1.229 1.00 0.00 C ATOM 1820 OD1 ASP A 113 -13.715 11.869 -0.942 1.00 0.00 O ATOM 1821 OD2 ASP A 113 -15.289 10.405 -0.799 1.00 0.00 O ATOM 0 H ASP A 113 -11.672 9.244 -3.785 1.00 0.00 H new ATOM 0 HA ASP A 113 -11.676 10.714 -1.302 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -13.508 10.274 -3.203 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -13.911 8.890 -2.205 1.00 0.00 H new ATOM 1826 N ASP A 114 -11.677 7.446 -1.172 1.00 0.00 N ATOM 1827 CA ASP A 114 -11.513 6.317 -0.223 1.00 0.00 C ATOM 1828 C ASP A 114 -10.077 6.332 0.301 1.00 0.00 C ATOM 1829 O ASP A 114 -9.679 5.487 1.075 1.00 0.00 O ATOM 1830 CB ASP A 114 -11.786 5.000 -0.952 1.00 0.00 C ATOM 1831 CG ASP A 114 -13.074 4.377 -0.412 1.00 0.00 C ATOM 1832 OD1 ASP A 114 -13.262 4.405 0.793 1.00 0.00 O ATOM 1833 OD2 ASP A 114 -13.849 3.884 -1.213 1.00 0.00 O ATOM 0 H ASP A 114 -11.636 7.194 -2.159 1.00 0.00 H new ATOM 0 HA ASP A 114 -12.212 6.414 0.608 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -11.876 5.177 -2.024 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -10.951 4.314 -0.811 1.00 0.00 H new ATOM 1838 N PHE A 115 -9.299 7.299 -0.113 1.00 0.00 N ATOM 1839 CA PHE A 115 -7.890 7.380 0.361 1.00 0.00 C ATOM 1840 C PHE A 115 -7.601 8.810 0.843 1.00 0.00 C ATOM 1841 O PHE A 115 -7.435 9.706 0.040 1.00 0.00 O ATOM 1842 CB PHE A 115 -6.945 7.033 -0.790 1.00 0.00 C ATOM 1843 CG PHE A 115 -6.671 5.547 -0.789 1.00 0.00 C ATOM 1844 CD1 PHE A 115 -5.738 5.003 0.104 1.00 0.00 C ATOM 1845 CD2 PHE A 115 -7.348 4.713 -1.686 1.00 0.00 C ATOM 1846 CE1 PHE A 115 -5.485 3.627 0.097 1.00 0.00 C ATOM 1847 CE2 PHE A 115 -7.095 3.337 -1.691 1.00 0.00 C ATOM 1848 CZ PHE A 115 -6.163 2.793 -0.799 1.00 0.00 C ATOM 0 H PHE A 115 -9.581 8.036 -0.760 1.00 0.00 H new ATOM 0 HA PHE A 115 -7.738 6.677 1.180 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -7.388 7.331 -1.740 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -6.011 7.586 -0.687 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -5.215 5.645 0.797 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -8.066 5.132 -2.375 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -4.765 3.208 0.784 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -7.619 2.694 -2.383 1.00 0.00 H new ATOM 0 HZ PHE A 115 -5.968 1.731 -0.802 1.00 0.00 H new ATOM 1858 N PRO A 116 -7.549 8.982 2.140 1.00 0.00 N ATOM 1859 CA PRO A 116 -7.280 10.292 2.754 1.00 0.00 C ATOM 1860 C PRO A 116 -6.145 11.017 2.018 1.00 0.00 C ATOM 1861 O PRO A 116 -5.380 10.403 1.300 1.00 0.00 O ATOM 1862 CB PRO A 116 -6.903 9.950 4.202 1.00 0.00 C ATOM 1863 CG PRO A 116 -7.357 8.494 4.463 1.00 0.00 C ATOM 1864 CD PRO A 116 -7.745 7.889 3.106 1.00 0.00 C ATOM 0 HA PRO A 116 -8.131 10.971 2.705 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -5.828 10.051 4.353 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -7.388 10.635 4.898 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -6.556 7.918 4.926 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -8.203 8.472 5.150 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -7.121 7.029 2.863 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -8.778 7.543 3.108 1.00 0.00 H new ATOM 1872 N PRO A 117 -6.092 12.316 2.204 1.00 0.00 N ATOM 1873 CA PRO A 117 -5.081 13.171 1.550 1.00 0.00 C ATOM 1874 C PRO A 117 -3.659 12.722 1.901 1.00 0.00 C ATOM 1875 O PRO A 117 -3.319 12.532 3.051 1.00 0.00 O ATOM 1876 CB PRO A 117 -5.350 14.582 2.094 1.00 0.00 C ATOM 1877 CG PRO A 117 -6.570 14.499 3.046 1.00 0.00 C ATOM 1878 CD PRO A 117 -7.033 13.034 3.086 1.00 0.00 C ATOM 0 HA PRO A 117 -5.154 13.122 0.464 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -4.476 14.959 2.625 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.550 15.275 1.277 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -6.300 14.842 4.045 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -7.374 15.145 2.694 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -7.004 12.638 4.101 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -8.060 12.934 2.734 1.00 0.00 H new ATOM 1886 N ALA A 118 -2.828 12.561 0.905 1.00 0.00 N ATOM 1887 CA ALA A 118 -1.420 12.134 1.149 1.00 0.00 C ATOM 1888 C ALA A 118 -0.840 11.561 -0.145 1.00 0.00 C ATOM 1889 O ALA A 118 0.175 12.011 -0.639 1.00 0.00 O ATOM 1890 CB ALA A 118 -1.383 11.063 2.240 1.00 0.00 C ATOM 0 H ALA A 118 -3.067 12.709 -0.075 1.00 0.00 H new ATOM 0 HA ALA A 118 -0.831 12.993 1.472 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -0.352 10.756 2.413 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -1.801 11.468 3.162 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -1.970 10.201 1.924 1.00 0.00 H new ATOM 1896 N ASN A 119 -1.479 10.565 -0.692 1.00 0.00 N ATOM 1897 CA ASN A 119 -0.995 9.944 -1.935 1.00 0.00 C ATOM 1898 C ASN A 119 -1.927 10.341 -3.079 1.00 0.00 C ATOM 1899 O ASN A 119 -2.296 9.537 -3.896 1.00 0.00 O ATOM 1900 CB ASN A 119 -1.030 8.437 -1.743 1.00 0.00 C ATOM 1901 CG ASN A 119 -0.306 8.072 -0.445 1.00 0.00 C ATOM 1902 OD1 ASN A 119 0.416 8.878 0.109 1.00 0.00 O ATOM 1903 ND2 ASN A 119 -0.469 6.883 0.068 1.00 0.00 N ATOM 0 H ASN A 119 -2.333 10.154 -0.315 1.00 0.00 H new ATOM 0 HA ASN A 119 0.018 10.270 -2.169 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -2.062 8.088 -1.707 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -0.555 7.941 -2.589 1.00 0.00 H new ATOM 0 HD21 ASN A 119 0.009 6.631 0.933 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -1.075 6.206 -0.396 1.00 0.00 H new ATOM 1910 N GLU A 120 -2.321 11.578 -3.120 1.00 0.00 N ATOM 1911 CA GLU A 120 -3.249 12.052 -4.192 1.00 0.00 C ATOM 1912 C GLU A 120 -2.654 11.907 -5.616 1.00 0.00 C ATOM 1913 O GLU A 120 -3.380 11.595 -6.536 1.00 0.00 O ATOM 1914 CB GLU A 120 -3.586 13.522 -3.940 1.00 0.00 C ATOM 1915 CG GLU A 120 -3.969 13.713 -2.470 1.00 0.00 C ATOM 1916 CD GLU A 120 -5.457 14.055 -2.368 1.00 0.00 C ATOM 1917 OE1 GLU A 120 -6.252 13.134 -2.292 1.00 0.00 O ATOM 1918 OE2 GLU A 120 -5.775 15.233 -2.372 1.00 0.00 O ATOM 0 H GLU A 120 -2.039 12.294 -2.451 1.00 0.00 H new ATOM 0 HA GLU A 120 -4.140 11.426 -4.150 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.731 14.150 -4.189 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -4.408 13.833 -4.585 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -3.755 12.805 -1.907 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -3.371 14.510 -2.028 1.00 0.00 H new ATOM 1925 N PRO A 121 -1.373 12.169 -5.776 1.00 0.00 N ATOM 1926 CA PRO A 121 -0.719 12.103 -7.101 1.00 0.00 C ATOM 1927 C PRO A 121 -0.708 10.675 -7.666 1.00 0.00 C ATOM 1928 O PRO A 121 -0.864 10.478 -8.855 1.00 0.00 O ATOM 1929 CB PRO A 121 0.715 12.592 -6.858 1.00 0.00 C ATOM 1930 CG PRO A 121 0.858 12.891 -5.346 1.00 0.00 C ATOM 1931 CD PRO A 121 -0.481 12.545 -4.675 1.00 0.00 C ATOM 0 HA PRO A 121 -1.253 12.708 -7.834 1.00 0.00 H new ATOM 0 HB2 PRO A 121 1.435 11.835 -7.168 1.00 0.00 H new ATOM 0 HB3 PRO A 121 0.919 13.487 -7.446 1.00 0.00 H new ATOM 0 HG2 PRO A 121 1.666 12.301 -4.914 1.00 0.00 H new ATOM 0 HG3 PRO A 121 1.107 13.940 -5.185 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -0.366 11.727 -3.964 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -0.876 13.396 -4.121 1.00 0.00 H new ATOM 1939 N VAL A 122 -0.521 9.674 -6.846 1.00 0.00 N ATOM 1940 CA VAL A 122 -0.504 8.285 -7.383 1.00 0.00 C ATOM 1941 C VAL A 122 -1.932 7.740 -7.342 1.00 0.00 C ATOM 1942 O VAL A 122 -2.390 7.078 -8.251 1.00 0.00 O ATOM 1943 CB VAL A 122 0.474 7.435 -6.544 1.00 0.00 C ATOM 1944 CG1 VAL A 122 -0.224 6.229 -5.908 1.00 0.00 C ATOM 1945 CG2 VAL A 122 1.602 6.944 -7.450 1.00 0.00 C ATOM 0 H VAL A 122 -0.381 9.758 -5.839 1.00 0.00 H new ATOM 0 HA VAL A 122 -0.158 8.257 -8.416 1.00 0.00 H new ATOM 0 HB VAL A 122 0.865 8.058 -5.739 1.00 0.00 H new ATOM 0 HG11 VAL A 122 0.498 5.656 -5.326 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.025 6.575 -5.254 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -0.643 5.596 -6.691 1.00 0.00 H new ATOM 0 HG21 VAL A 122 2.300 6.342 -6.868 1.00 0.00 H new ATOM 0 HG22 VAL A 122 1.185 6.339 -8.255 1.00 0.00 H new ATOM 0 HG23 VAL A 122 2.127 7.800 -7.874 1.00 0.00 H new ATOM 1955 N ILE A 123 -2.638 8.050 -6.300 1.00 0.00 N ATOM 1956 CA ILE A 123 -4.045 7.605 -6.178 1.00 0.00 C ATOM 1957 C ILE A 123 -4.809 8.104 -7.399 1.00 0.00 C ATOM 1958 O ILE A 123 -5.708 7.454 -7.896 1.00 0.00 O ATOM 1959 CB ILE A 123 -4.637 8.221 -4.917 1.00 0.00 C ATOM 1960 CG1 ILE A 123 -3.944 7.611 -3.693 1.00 0.00 C ATOM 1961 CG2 ILE A 123 -6.139 7.951 -4.870 1.00 0.00 C ATOM 1962 CD1 ILE A 123 -4.576 6.259 -3.349 1.00 0.00 C ATOM 0 H ILE A 123 -2.294 8.602 -5.514 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.109 6.518 -6.120 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.479 9.300 -4.918 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.880 7.483 -3.894 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.029 8.288 -2.843 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -6.560 8.393 -3.967 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -6.615 8.392 -5.746 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -6.315 6.875 -4.864 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -4.076 5.835 -2.478 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -5.634 6.398 -3.128 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -4.468 5.581 -4.196 1.00 0.00 H new ATOM 1974 N ALA A 124 -4.447 9.259 -7.887 1.00 0.00 N ATOM 1975 CA ALA A 124 -5.143 9.810 -9.082 1.00 0.00 C ATOM 1976 C ALA A 124 -5.012 8.820 -10.245 1.00 0.00 C ATOM 1977 O ALA A 124 -5.918 8.650 -11.036 1.00 0.00 O ATOM 1978 CB ALA A 124 -4.509 11.147 -9.469 1.00 0.00 C ATOM 0 H ALA A 124 -3.701 9.843 -7.510 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.198 9.965 -8.854 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.018 11.551 -10.344 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.602 11.848 -8.639 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.454 10.996 -9.700 1.00 0.00 H new ATOM 1984 N LYS A 125 -3.884 8.169 -10.356 1.00 0.00 N ATOM 1985 CA LYS A 125 -3.683 7.191 -11.461 1.00 0.00 C ATOM 1986 C LYS A 125 -4.535 5.941 -11.215 1.00 0.00 C ATOM 1987 O LYS A 125 -5.316 5.539 -12.054 1.00 0.00 O ATOM 1988 CB LYS A 125 -2.207 6.793 -11.527 1.00 0.00 C ATOM 1989 CG LYS A 125 -1.688 6.982 -12.953 1.00 0.00 C ATOM 1990 CD LYS A 125 -1.410 8.466 -13.201 1.00 0.00 C ATOM 1991 CE LYS A 125 0.100 8.699 -13.263 1.00 0.00 C ATOM 1992 NZ LYS A 125 0.632 8.881 -11.882 1.00 0.00 N ATOM 0 H LYS A 125 -3.090 8.275 -9.724 1.00 0.00 H new ATOM 0 HA LYS A 125 -3.983 7.650 -12.403 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -1.625 7.400 -10.834 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -2.086 5.754 -11.220 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -0.778 6.401 -13.100 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -2.421 6.613 -13.670 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -1.876 8.783 -14.134 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -1.849 9.067 -12.405 1.00 0.00 H new ATOM 0 HE2 LYS A 125 0.590 7.853 -13.744 1.00 0.00 H new ATOM 0 HE3 LYS A 125 0.318 9.579 -13.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 1.192 9.756 -11.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -0.160 8.943 -11.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 1.235 8.071 -11.633 1.00 0.00 H new ATOM 2006 N LEU A 126 -4.384 5.317 -10.076 1.00 0.00 N ATOM 2007 CA LEU A 126 -5.182 4.087 -9.792 1.00 0.00 C ATOM 2008 C LEU A 126 -6.667 4.349 -10.059 1.00 0.00 C ATOM 2009 O LEU A 126 -7.446 3.429 -10.206 1.00 0.00 O ATOM 2010 CB LEU A 126 -5.024 3.626 -8.332 1.00 0.00 C ATOM 2011 CG LEU A 126 -3.869 4.340 -7.627 1.00 0.00 C ATOM 2012 CD1 LEU A 126 -3.813 3.880 -6.172 1.00 0.00 C ATOM 2013 CD2 LEU A 126 -2.550 3.989 -8.314 1.00 0.00 C ATOM 0 H LEU A 126 -3.746 5.604 -9.333 1.00 0.00 H new ATOM 0 HA LEU A 126 -4.807 3.303 -10.450 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.951 3.814 -7.790 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -4.853 2.550 -8.308 1.00 0.00 H new ATOM 0 HG LEU A 126 -4.026 5.418 -7.673 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.992 4.384 -5.662 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -4.753 4.125 -5.677 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -3.654 2.802 -6.137 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.730 4.499 -7.809 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -2.391 2.912 -8.267 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -2.587 4.305 -9.356 1.00 0.00 H new ATOM 2025 N LYS A 127 -7.074 5.588 -10.128 1.00 0.00 N ATOM 2026 CA LYS A 127 -8.496 5.885 -10.388 1.00 0.00 C ATOM 2027 C LYS A 127 -8.972 5.036 -11.563 1.00 0.00 C ATOM 2028 O LYS A 127 -10.021 4.423 -11.521 1.00 0.00 O ATOM 2029 CB LYS A 127 -8.617 7.365 -10.732 1.00 0.00 C ATOM 2030 CG LYS A 127 -8.526 8.195 -9.451 1.00 0.00 C ATOM 2031 CD LYS A 127 -9.523 9.353 -9.520 1.00 0.00 C ATOM 2032 CE LYS A 127 -9.754 9.903 -8.112 1.00 0.00 C ATOM 2033 NZ LYS A 127 -9.985 11.373 -8.182 1.00 0.00 N ATOM 0 H LYS A 127 -6.474 6.405 -10.014 1.00 0.00 H new ATOM 0 HA LYS A 127 -9.106 5.658 -9.514 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -7.825 7.655 -11.423 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -9.565 7.556 -11.235 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -8.739 7.569 -8.584 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -7.514 8.580 -9.326 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -9.141 10.139 -10.172 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -10.465 9.012 -9.949 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -10.612 9.411 -7.655 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -8.891 9.690 -7.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -10.142 11.746 -7.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -9.153 11.836 -8.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -10.821 11.565 -8.770 1.00 0.00 H new ATOM 2047 N ARG A 128 -8.202 4.994 -12.612 1.00 0.00 N ATOM 2048 CA ARG A 128 -8.586 4.192 -13.791 1.00 0.00 C ATOM 2049 C ARG A 128 -7.906 2.825 -13.716 1.00 0.00 C ATOM 2050 O ARG A 128 -7.319 2.358 -14.673 1.00 0.00 O ATOM 2051 CB ARG A 128 -8.136 4.926 -15.048 1.00 0.00 C ATOM 2052 CG ARG A 128 -9.300 5.746 -15.599 1.00 0.00 C ATOM 2053 CD ARG A 128 -9.004 6.150 -17.044 1.00 0.00 C ATOM 2054 NE ARG A 128 -9.768 7.384 -17.377 1.00 0.00 N ATOM 2055 CZ ARG A 128 -9.466 8.070 -18.446 1.00 0.00 C ATOM 2056 NH1 ARG A 128 -8.218 8.233 -18.787 1.00 0.00 N ATOM 2057 NH2 ARG A 128 -10.414 8.595 -19.173 1.00 0.00 N ATOM 0 H ARG A 128 -7.314 5.489 -12.698 1.00 0.00 H new ATOM 0 HA ARG A 128 -9.667 4.051 -13.815 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -7.293 5.578 -14.820 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -7.793 4.212 -15.797 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -10.221 5.164 -15.555 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -9.454 6.634 -14.987 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -7.936 6.324 -17.173 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -9.280 5.343 -17.723 1.00 0.00 H new ATOM 0 HE ARG A 128 -10.527 7.693 -16.770 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -7.476 7.824 -18.218 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -7.983 8.769 -19.622 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -11.390 8.469 -18.906 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -10.179 9.131 -20.008 1.00 0.00 H new ATOM 2071 N LEU A 129 -7.975 2.181 -12.583 1.00 0.00 N ATOM 2072 CA LEU A 129 -7.336 0.854 -12.435 1.00 0.00 C ATOM 2073 C LEU A 129 -7.918 -0.115 -13.465 1.00 0.00 C ATOM 2074 O LEU A 129 -7.449 -1.240 -13.521 1.00 0.00 O ATOM 2075 CB LEU A 129 -7.617 0.337 -11.027 1.00 0.00 C ATOM 2076 CG LEU A 129 -6.449 0.693 -10.105 1.00 0.00 C ATOM 2077 CD1 LEU A 129 -6.978 0.961 -8.696 1.00 0.00 C ATOM 2078 CD2 LEU A 129 -5.457 -0.470 -10.060 1.00 0.00 C ATOM 2079 OXT LEU A 129 -8.824 0.282 -14.179 1.00 0.00 O ATOM 0 H LEU A 129 -8.452 2.525 -11.750 1.00 0.00 H new ATOM 0 HA LEU A 129 -6.261 0.936 -12.596 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -8.540 0.774 -10.646 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -7.761 -0.743 -11.048 1.00 0.00 H new ATOM 0 HG LEU A 129 -5.947 1.583 -10.484 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -6.147 1.215 -8.038 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -7.685 1.790 -8.724 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -7.480 0.069 -8.320 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -4.626 -0.214 -9.403 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -5.958 -1.361 -9.682 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -5.079 -0.665 -11.064 1.00 0.00 H new