USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 611 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 67 TYR OH : rot 130:sc= -0.297 USER MOD Set 1.2: A 87 MET CE :methyl 161:sc= -0.119 (180deg=-1.04) USER MOD Set 2.1: A 64 LYS NZ :NH3+ -166:sc= 0.567 (180deg=0.0471) USER MOD Set 2.2: A 65 ASN : amide:sc= 1.86 K(o=2.4,f=-10!) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 TYR OH : rot 70:sc= -3.47! USER MOD Single : A 22 GLN : amide:sc= 0.77 K(o=0.77,f=-0.12) USER MOD Single : A 23 GLN : amide:sc= -4.08! C(o=-4.1!,f=-3.6!) USER MOD Single : A 30 GLN : amide:sc= -0.0888 K(o=-0.089,f=-3.1!) USER MOD Single : A 33 ASN : amide:sc= -0.262 X(o=-0.26,f=-0.035) USER MOD Single : A 35 THR OG1 : rot 180:sc=-0.00976 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -1.03 K(o=-1,f=-5.9!) USER MOD Single : A 40 HIS : no HD1:sc= 0.0237 K(o=0.024,f=-0.48) USER MOD Single : A 43 SER OG : rot 80:sc= 0.471 USER MOD Single : A 44 ASN : amide:sc= -0.708 K(o=-0.71,f=-4.3!) USER MOD Single : A 47 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.089) USER MOD Single : A 56 MET CE :methyl 144:sc= -0.677 (180deg=-2.59!) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 78:sc= 1.13 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 150:sc= 1.01 USER MOD Single : A 84 ASN : amide:sc= -0.386 K(o=-0.39,f=-1.2) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 51 N HIS A 17 -3.813 -5.806 -1.509 1.00 32.30 N ATOM 52 CA HIS A 17 -4.203 -6.413 -0.230 1.00 41.34 C ATOM 53 C HIS A 17 -3.016 -7.204 0.262 1.00 55.44 C ATOM 54 O HIS A 17 -2.756 -7.360 1.440 1.00 61.42 O ATOM 55 CB HIS A 17 -5.404 -7.349 -0.431 1.00 4.05 C ATOM 56 CG HIS A 17 -6.590 -6.704 -1.085 1.00 13.30 C ATOM 57 ND1 HIS A 17 -7.653 -6.175 -0.402 1.00 73.24 N ATOM 58 CD2 HIS A 17 -6.850 -6.499 -2.398 1.00 23.40 C ATOM 59 CE1 HIS A 17 -8.508 -5.671 -1.291 1.00 2.34 C ATOM 60 NE2 HIS A 17 -8.061 -5.840 -2.531 1.00 52.11 N ATOM 0 HA HIS A 17 -4.491 -5.646 0.489 1.00 41.34 H new ATOM 0 HB2 HIS A 17 -5.089 -8.200 -1.036 1.00 4.05 H new ATOM 0 HB3 HIS A 17 -5.709 -7.743 0.539 1.00 4.05 H new ATOM 0 HD2 HIS A 17 -6.212 -6.802 -3.215 1.00 23.40 H new ATOM 0 HE1 HIS A 17 -9.441 -5.189 -1.037 1.00 2.34 H new ATOM 0 HE2 HIS A 17 -8.514 -5.547 -3.397 1.00 52.11 H new ATOM 68 N ALA A 18 -2.261 -7.609 -0.696 1.00 60.23 N ATOM 69 CA ALA A 18 -1.079 -8.371 -0.537 1.00 23.25 C ATOM 70 C ALA A 18 0.032 -7.613 0.208 1.00 3.13 C ATOM 71 O ALA A 18 1.026 -8.183 0.577 1.00 10.45 O ATOM 72 CB ALA A 18 -0.675 -8.949 -1.845 1.00 5.43 C ATOM 0 H ALA A 18 -2.468 -7.403 -1.673 1.00 60.23 H new ATOM 0 HA ALA A 18 -1.287 -9.210 0.127 1.00 23.25 H new ATOM 0 HB1 ALA A 18 0.235 -9.535 -1.718 1.00 5.43 H new ATOM 0 HB2 ALA A 18 -1.471 -9.592 -2.220 1.00 5.43 H new ATOM 0 HB3 ALA A 18 -0.492 -8.145 -2.557 1.00 5.43 H new ATOM 78 N ALA A 19 -0.097 -6.305 0.351 1.00 23.01 N ATOM 79 CA ALA A 19 0.847 -5.573 1.195 1.00 64.21 C ATOM 80 C ALA A 19 0.724 -6.046 2.649 1.00 25.30 C ATOM 81 O ALA A 19 1.661 -5.945 3.418 1.00 41.03 O ATOM 82 CB ALA A 19 0.615 -4.086 1.123 1.00 45.43 C ATOM 0 H ALA A 19 -0.821 -5.737 -0.089 1.00 23.01 H new ATOM 0 HA ALA A 19 1.852 -5.777 0.826 1.00 64.21 H new ATOM 0 HB1 ALA A 19 1.334 -3.574 1.762 1.00 45.43 H new ATOM 0 HB2 ALA A 19 0.739 -3.748 0.094 1.00 45.43 H new ATOM 0 HB3 ALA A 19 -0.396 -3.859 1.460 1.00 45.43 H new ATOM 88 N ASP A 20 -0.436 -6.586 3.006 1.00 4.13 N ATOM 89 CA ASP A 20 -0.647 -7.113 4.354 1.00 14.42 C ATOM 90 C ASP A 20 -0.056 -8.527 4.446 1.00 42.34 C ATOM 91 O ASP A 20 0.307 -9.019 5.511 1.00 15.22 O ATOM 92 CB ASP A 20 -2.133 -7.079 4.717 1.00 41.24 C ATOM 93 CG ASP A 20 -2.396 -7.427 6.166 1.00 73.14 C ATOM 94 OD1 ASP A 20 -1.655 -6.920 7.055 1.00 70.23 O ATOM 95 OD2 ASP A 20 -3.351 -8.192 6.424 1.00 11.01 O ATOM 0 H ASP A 20 -1.242 -6.671 2.387 1.00 4.13 H new ATOM 0 HA ASP A 20 -0.132 -6.486 5.082 1.00 14.42 H new ATOM 0 HB2 ASP A 20 -2.529 -6.085 4.510 1.00 41.24 H new ATOM 0 HB3 ASP A 20 -2.674 -7.777 4.078 1.00 41.24 H new ATOM 100 N TYR A 21 0.114 -9.134 3.272 1.00 4.02 N ATOM 101 CA TYR A 21 0.774 -10.447 3.111 1.00 4.42 C ATOM 102 C TYR A 21 2.204 -10.374 3.604 1.00 75.21 C ATOM 103 O TYR A 21 2.760 -11.373 4.068 1.00 62.53 O ATOM 104 CB TYR A 21 0.746 -10.853 1.626 1.00 55.45 C ATOM 105 CG TYR A 21 1.681 -11.967 1.193 1.00 72.35 C ATOM 106 CD1 TYR A 21 3.007 -11.704 0.785 1.00 45.42 C ATOM 107 CD2 TYR A 21 1.243 -13.258 1.144 1.00 62.02 C ATOM 108 CE1 TYR A 21 3.828 -12.716 0.353 1.00 60.14 C ATOM 109 CE2 TYR A 21 2.068 -14.263 0.720 1.00 23.40 C ATOM 110 CZ TYR A 21 3.350 -13.994 0.324 1.00 22.33 C ATOM 111 OH TYR A 21 4.153 -15.020 -0.105 1.00 20.21 O ATOM 0 H TYR A 21 -0.203 -8.730 2.391 1.00 4.02 H new ATOM 0 HA TYR A 21 0.241 -11.194 3.700 1.00 4.42 H new ATOM 0 HB2 TYR A 21 -0.272 -11.151 1.377 1.00 55.45 H new ATOM 0 HB3 TYR A 21 0.975 -9.969 1.030 1.00 55.45 H new ATOM 0 HD1 TYR A 21 3.381 -10.691 0.813 1.00 45.42 H new ATOM 0 HD2 TYR A 21 0.232 -13.489 1.444 1.00 62.02 H new ATOM 0 HE1 TYR A 21 4.840 -12.503 0.040 1.00 60.14 H new ATOM 0 HE2 TYR A 21 1.704 -15.280 0.697 1.00 23.40 H new ATOM 0 HH TYR A 21 4.858 -15.182 0.556 1.00 20.21 H new ATOM 121 N GLN A 22 2.789 -9.186 3.492 1.00 1.11 N ATOM 122 CA GLN A 22 4.147 -8.928 3.931 1.00 60.53 C ATOM 123 C GLN A 22 4.275 -9.316 5.392 1.00 74.13 C ATOM 124 O GLN A 22 5.154 -10.084 5.767 1.00 54.13 O ATOM 125 CB GLN A 22 4.458 -7.446 3.792 1.00 75.30 C ATOM 126 CG GLN A 22 5.883 -7.074 4.139 1.00 13.24 C ATOM 127 CD GLN A 22 6.877 -7.493 3.064 1.00 5.23 C ATOM 128 OE1 GLN A 22 7.141 -6.740 2.131 1.00 35.43 O ATOM 129 NE2 GLN A 22 7.445 -8.662 3.178 1.00 43.13 N ATOM 0 H GLN A 22 2.326 -8.371 3.090 1.00 1.11 H new ATOM 0 HA GLN A 22 4.841 -9.507 3.322 1.00 60.53 H new ATOM 0 HB2 GLN A 22 4.254 -7.138 2.766 1.00 75.30 H new ATOM 0 HB3 GLN A 22 3.781 -6.883 4.434 1.00 75.30 H new ATOM 0 HG2 GLN A 22 5.947 -5.996 4.287 1.00 13.24 H new ATOM 0 HG3 GLN A 22 6.157 -7.543 5.084 1.00 13.24 H new ATOM 0 HE21 GLN A 22 7.209 -9.269 3.963 1.00 43.13 H new ATOM 0 HE22 GLN A 22 8.125 -8.968 2.483 1.00 43.13 H new ATOM 138 N GLN A 23 3.345 -8.815 6.195 1.00 74.53 N ATOM 139 CA GLN A 23 3.329 -9.103 7.634 1.00 62.42 C ATOM 140 C GLN A 23 3.214 -10.614 7.886 1.00 42.05 C ATOM 141 O GLN A 23 3.897 -11.166 8.752 1.00 71.04 O ATOM 142 CB GLN A 23 2.173 -8.392 8.375 1.00 44.23 C ATOM 143 CG GLN A 23 2.239 -6.866 8.493 1.00 53.21 C ATOM 144 CD GLN A 23 2.214 -6.135 7.171 1.00 42.02 C ATOM 145 OE1 GLN A 23 3.248 -5.844 6.596 1.00 34.25 O ATOM 146 NE2 GLN A 23 1.044 -5.879 6.658 1.00 12.22 N ATOM 0 H GLN A 23 2.589 -8.207 5.880 1.00 74.53 H new ATOM 0 HA GLN A 23 4.272 -8.722 8.026 1.00 62.42 H new ATOM 0 HB2 GLN A 23 1.242 -8.650 7.871 1.00 44.23 H new ATOM 0 HB3 GLN A 23 2.115 -8.805 9.382 1.00 44.23 H new ATOM 0 HG2 GLN A 23 1.400 -6.524 9.099 1.00 53.21 H new ATOM 0 HG3 GLN A 23 3.149 -6.594 9.027 1.00 53.21 H new ATOM 0 HE21 GLN A 23 0.197 -6.136 7.166 1.00 12.22 H new ATOM 0 HE22 GLN A 23 0.975 -5.422 5.749 1.00 12.22 H new ATOM 155 N LEU A 24 2.331 -11.259 7.131 1.00 13.14 N ATOM 156 CA LEU A 24 2.121 -12.705 7.221 1.00 31.11 C ATOM 157 C LEU A 24 3.390 -13.463 6.943 1.00 41.32 C ATOM 158 O LEU A 24 3.821 -14.274 7.762 1.00 0.33 O ATOM 159 CB LEU A 24 1.045 -13.162 6.236 1.00 54.14 C ATOM 160 CG LEU A 24 0.853 -14.674 6.155 1.00 2.13 C ATOM 161 CD1 LEU A 24 0.250 -15.227 7.414 1.00 11.31 C ATOM 162 CD2 LEU A 24 0.045 -15.072 4.966 1.00 2.00 C ATOM 0 H LEU A 24 1.740 -10.798 6.439 1.00 13.14 H new ATOM 0 HA LEU A 24 1.797 -12.916 8.240 1.00 31.11 H new ATOM 0 HB2 LEU A 24 0.097 -12.704 6.517 1.00 54.14 H new ATOM 0 HB3 LEU A 24 1.298 -12.788 5.244 1.00 54.14 H new ATOM 0 HG LEU A 24 1.847 -15.106 6.040 1.00 2.13 H new ATOM 0 HD11 LEU A 24 0.129 -16.306 7.316 1.00 11.31 H new ATOM 0 HD12 LEU A 24 0.906 -15.010 8.257 1.00 11.31 H new ATOM 0 HD13 LEU A 24 -0.724 -14.767 7.584 1.00 11.31 H new ATOM 0 HD21 LEU A 24 -0.066 -16.156 4.948 1.00 2.00 H new ATOM 0 HD22 LEU A 24 -0.939 -14.607 5.023 1.00 2.00 H new ATOM 0 HD23 LEU A 24 0.549 -14.744 4.057 1.00 2.00 H new ATOM 174 N ARG A 25 3.981 -13.168 5.812 1.00 22.35 N ATOM 175 CA ARG A 25 5.150 -13.858 5.316 1.00 21.30 C ATOM 176 C ARG A 25 6.266 -13.788 6.352 1.00 14.13 C ATOM 177 O ARG A 25 6.759 -14.817 6.840 1.00 32.31 O ATOM 178 CB ARG A 25 5.609 -13.174 4.043 1.00 4.42 C ATOM 179 CG ARG A 25 6.249 -14.090 3.044 1.00 62.54 C ATOM 180 CD ARG A 25 7.006 -13.313 2.005 1.00 74.23 C ATOM 181 NE ARG A 25 8.259 -12.818 2.560 1.00 1.24 N ATOM 182 CZ ARG A 25 9.473 -13.245 2.175 1.00 41.30 C ATOM 183 NH1 ARG A 25 9.606 -14.146 1.178 1.00 14.42 N ATOM 184 NH2 ARG A 25 10.543 -12.805 2.814 1.00 73.02 N ATOM 0 H ARG A 25 3.656 -12.424 5.195 1.00 22.35 H new ATOM 0 HA ARG A 25 4.908 -14.902 5.120 1.00 21.30 H new ATOM 0 HB2 ARG A 25 4.752 -12.689 3.576 1.00 4.42 H new ATOM 0 HB3 ARG A 25 6.318 -12.388 4.303 1.00 4.42 H new ATOM 0 HG2 ARG A 25 6.926 -14.775 3.555 1.00 62.54 H new ATOM 0 HG3 ARG A 25 5.484 -14.699 2.562 1.00 62.54 H new ATOM 0 HD2 ARG A 25 7.208 -13.947 1.142 1.00 74.23 H new ATOM 0 HD3 ARG A 25 6.401 -12.478 1.653 1.00 74.23 H new ATOM 0 HE ARG A 25 8.211 -12.103 3.286 1.00 1.24 H new ATOM 0 HH11 ARG A 25 8.778 -14.511 0.707 1.00 14.42 H new ATOM 0 HH12 ARG A 25 10.534 -14.461 0.896 1.00 14.42 H new ATOM 0 HH21 ARG A 25 10.441 -12.150 3.589 1.00 73.02 H new ATOM 0 HH22 ARG A 25 11.471 -13.121 2.532 1.00 73.02 H new ATOM 198 N GLU A 26 6.593 -12.572 6.715 1.00 20.32 N ATOM 199 CA GLU A 26 7.619 -12.267 7.670 1.00 22.43 C ATOM 200 C GLU A 26 7.377 -12.876 9.054 1.00 22.11 C ATOM 201 O GLU A 26 8.304 -13.421 9.665 1.00 3.11 O ATOM 202 CB GLU A 26 7.812 -10.768 7.729 1.00 72.32 C ATOM 203 CG GLU A 26 8.875 -10.256 6.740 1.00 61.40 C ATOM 204 CD GLU A 26 8.876 -10.923 5.356 1.00 33.04 C ATOM 205 OE1 GLU A 26 7.850 -10.891 4.637 1.00 55.00 O ATOM 206 OE2 GLU A 26 9.925 -11.457 4.953 1.00 71.31 O ATOM 0 H GLU A 26 6.134 -11.743 6.338 1.00 20.32 H new ATOM 0 HA GLU A 26 8.541 -12.738 7.328 1.00 22.43 H new ATOM 0 HB2 GLU A 26 6.862 -10.277 7.518 1.00 72.32 H new ATOM 0 HB3 GLU A 26 8.100 -10.484 8.741 1.00 72.32 H new ATOM 0 HG2 GLU A 26 8.733 -9.184 6.606 1.00 61.40 H new ATOM 0 HG3 GLU A 26 9.858 -10.393 7.189 1.00 61.40 H new ATOM 213 N ARG A 27 6.135 -12.845 9.544 1.00 64.33 N ATOM 214 CA ARG A 27 5.873 -13.408 10.835 1.00 52.35 C ATOM 215 C ARG A 27 5.900 -14.935 10.810 1.00 21.13 C ATOM 216 O ARG A 27 6.282 -15.568 11.794 1.00 41.33 O ATOM 217 CB ARG A 27 4.594 -12.908 11.447 1.00 11.44 C ATOM 218 CG ARG A 27 4.497 -13.404 12.857 1.00 15.01 C ATOM 219 CD ARG A 27 3.340 -12.862 13.592 1.00 21.03 C ATOM 220 NE ARG A 27 3.226 -13.500 14.920 1.00 22.32 N ATOM 221 CZ ARG A 27 2.882 -14.801 15.119 1.00 40.32 C ATOM 222 NH1 ARG A 27 2.437 -15.539 14.124 1.00 11.30 N ATOM 223 NH2 ARG A 27 2.953 -15.351 16.322 1.00 12.12 N ATOM 0 H ARG A 27 5.327 -12.444 9.068 1.00 64.33 H new ATOM 0 HA ARG A 27 6.687 -13.065 11.474 1.00 52.35 H new ATOM 0 HB2 ARG A 27 4.570 -11.818 11.429 1.00 11.44 H new ATOM 0 HB3 ARG A 27 3.739 -13.255 10.867 1.00 11.44 H new ATOM 0 HG2 ARG A 27 4.434 -14.492 12.848 1.00 15.01 H new ATOM 0 HG3 ARG A 27 5.411 -13.142 13.390 1.00 15.01 H new ATOM 0 HD2 ARG A 27 3.448 -11.784 13.708 1.00 21.03 H new ATOM 0 HD3 ARG A 27 2.427 -13.031 13.021 1.00 21.03 H new ATOM 0 HE ARG A 27 3.418 -12.927 15.742 1.00 22.32 H new ATOM 0 HH11 ARG A 27 2.347 -15.137 13.191 1.00 11.30 H new ATOM 0 HH12 ARG A 27 2.182 -16.513 14.286 1.00 11.30 H new ATOM 0 HH21 ARG A 27 3.270 -14.797 17.118 1.00 12.12 H new ATOM 0 HH22 ARG A 27 2.691 -16.328 16.452 1.00 12.12 H new ATOM 237 N LEU A 28 5.525 -15.529 9.683 1.00 70.34 N ATOM 238 CA LEU A 28 5.576 -16.985 9.536 1.00 1.23 C ATOM 239 C LEU A 28 7.004 -17.438 9.641 1.00 14.14 C ATOM 240 O LEU A 28 7.298 -18.429 10.281 1.00 51.33 O ATOM 241 CB LEU A 28 4.982 -17.442 8.203 1.00 25.34 C ATOM 242 CG LEU A 28 3.468 -17.347 8.061 1.00 61.22 C ATOM 243 CD1 LEU A 28 3.072 -17.578 6.638 1.00 32.24 C ATOM 244 CD2 LEU A 28 2.790 -18.374 8.920 1.00 24.43 C ATOM 0 H LEU A 28 5.184 -15.032 8.860 1.00 70.34 H new ATOM 0 HA LEU A 28 4.978 -17.431 10.331 1.00 1.23 H new ATOM 0 HB2 LEU A 28 5.436 -16.851 7.408 1.00 25.34 H new ATOM 0 HB3 LEU A 28 5.275 -18.479 8.037 1.00 25.34 H new ATOM 0 HG LEU A 28 3.162 -16.350 8.378 1.00 61.22 H new ATOM 0 HD11 LEU A 28 1.988 -17.508 6.546 1.00 32.24 H new ATOM 0 HD12 LEU A 28 3.539 -16.825 6.003 1.00 32.24 H new ATOM 0 HD13 LEU A 28 3.400 -18.570 6.326 1.00 32.24 H new ATOM 0 HD21 LEU A 28 1.709 -18.289 8.804 1.00 24.43 H new ATOM 0 HD22 LEU A 28 3.110 -19.371 8.617 1.00 24.43 H new ATOM 0 HD23 LEU A 28 3.057 -18.209 9.964 1.00 24.43 H new ATOM 256 N ILE A 29 7.881 -16.674 9.028 1.00 11.02 N ATOM 257 CA ILE A 29 9.310 -16.895 9.098 1.00 45.23 C ATOM 258 C ILE A 29 9.755 -17.011 10.559 1.00 62.22 C ATOM 259 O ILE A 29 10.392 -17.987 10.954 1.00 10.14 O ATOM 260 CB ILE A 29 10.051 -15.730 8.383 1.00 51.24 C ATOM 261 CG1 ILE A 29 9.904 -15.860 6.854 1.00 23.24 C ATOM 262 CG2 ILE A 29 11.502 -15.605 8.822 1.00 64.34 C ATOM 263 CD1 ILE A 29 10.512 -14.722 6.063 1.00 42.11 C ATOM 0 H ILE A 29 7.618 -15.870 8.458 1.00 11.02 H new ATOM 0 HA ILE A 29 9.559 -17.829 8.594 1.00 45.23 H new ATOM 0 HB ILE A 29 9.576 -14.796 8.685 1.00 51.24 H new ATOM 0 HG12 ILE A 29 10.367 -16.794 6.536 1.00 23.24 H new ATOM 0 HG13 ILE A 29 8.844 -15.930 6.609 1.00 23.24 H new ATOM 0 HG21 ILE A 29 11.972 -14.777 8.292 1.00 64.34 H new ATOM 0 HG22 ILE A 29 11.543 -15.419 9.895 1.00 64.34 H new ATOM 0 HG23 ILE A 29 12.032 -16.530 8.593 1.00 64.34 H new ATOM 0 HD11 ILE A 29 10.361 -14.898 4.998 1.00 42.11 H new ATOM 0 HD12 ILE A 29 10.033 -13.785 6.347 1.00 42.11 H new ATOM 0 HD13 ILE A 29 11.580 -14.663 6.273 1.00 42.11 H new ATOM 275 N GLN A 30 9.330 -16.057 11.350 1.00 0.42 N ATOM 276 CA GLN A 30 9.686 -15.991 12.747 1.00 71.33 C ATOM 277 C GLN A 30 9.032 -17.122 13.558 1.00 31.42 C ATOM 278 O GLN A 30 9.691 -17.779 14.348 1.00 42.15 O ATOM 279 CB GLN A 30 9.248 -14.655 13.319 1.00 75.34 C ATOM 280 CG GLN A 30 9.790 -13.439 12.596 1.00 23.31 C ATOM 281 CD GLN A 30 9.263 -12.153 13.193 1.00 51.14 C ATOM 282 OE1 GLN A 30 8.221 -11.652 12.799 1.00 1.14 O ATOM 283 NE2 GLN A 30 9.977 -11.610 14.146 1.00 72.51 N ATOM 0 H GLN A 30 8.723 -15.298 11.041 1.00 0.42 H new ATOM 0 HA GLN A 30 10.768 -16.102 12.819 1.00 71.33 H new ATOM 0 HB2 GLN A 30 8.159 -14.611 13.306 1.00 75.34 H new ATOM 0 HB3 GLN A 30 9.557 -14.605 14.363 1.00 75.34 H new ATOM 0 HG2 GLN A 30 10.879 -13.443 12.643 1.00 23.31 H new ATOM 0 HG3 GLN A 30 9.516 -13.490 11.542 1.00 23.31 H new ATOM 0 HE21 GLN A 30 10.843 -12.055 14.451 1.00 72.51 H new ATOM 0 HE22 GLN A 30 9.668 -10.742 14.583 1.00 72.51 H new ATOM 292 N GLU A 31 7.739 -17.349 13.336 1.00 74.31 N ATOM 293 CA GLU A 31 6.972 -18.317 14.128 1.00 12.11 C ATOM 294 C GLU A 31 7.381 -19.762 13.813 1.00 11.21 C ATOM 295 O GLU A 31 7.374 -20.626 14.685 1.00 62.21 O ATOM 296 CB GLU A 31 5.469 -18.138 13.897 1.00 5.51 C ATOM 297 CG GLU A 31 4.615 -18.901 14.902 1.00 20.14 C ATOM 298 CD GLU A 31 3.145 -18.784 14.637 1.00 15.21 C ATOM 299 OE1 GLU A 31 2.634 -19.570 13.831 1.00 45.41 O ATOM 300 OE2 GLU A 31 2.488 -17.898 15.236 1.00 4.15 O ATOM 0 H GLU A 31 7.197 -16.876 12.613 1.00 74.31 H new ATOM 0 HA GLU A 31 7.197 -18.124 15.177 1.00 12.11 H new ATOM 0 HB2 GLU A 31 5.223 -17.078 13.951 1.00 5.51 H new ATOM 0 HB3 GLU A 31 5.220 -18.472 12.890 1.00 5.51 H new ATOM 0 HG2 GLU A 31 4.898 -19.953 14.884 1.00 20.14 H new ATOM 0 HG3 GLU A 31 4.827 -18.530 15.905 1.00 20.14 H new ATOM 307 N LEU A 32 7.718 -20.016 12.568 1.00 72.34 N ATOM 308 CA LEU A 32 8.155 -21.336 12.150 1.00 71.31 C ATOM 309 C LEU A 32 9.630 -21.554 12.461 1.00 33.34 C ATOM 310 O LEU A 32 10.137 -22.659 12.300 1.00 21.44 O ATOM 311 CB LEU A 32 7.898 -21.564 10.645 1.00 11.31 C ATOM 312 CG LEU A 32 6.454 -21.908 10.190 1.00 61.30 C ATOM 313 CD1 LEU A 32 5.425 -20.839 10.540 1.00 42.10 C ATOM 314 CD2 LEU A 32 6.442 -22.183 8.709 1.00 12.11 C ATOM 0 H LEU A 32 7.698 -19.323 11.820 1.00 72.34 H new ATOM 0 HA LEU A 32 7.568 -22.060 12.715 1.00 71.31 H new ATOM 0 HB2 LEU A 32 8.209 -20.664 10.114 1.00 11.31 H new ATOM 0 HB3 LEU A 32 8.552 -22.371 10.314 1.00 11.31 H new ATOM 0 HG LEU A 32 6.157 -22.798 10.744 1.00 61.30 H new ATOM 0 HD11 LEU A 32 4.441 -21.152 10.190 1.00 42.10 H new ATOM 0 HD12 LEU A 32 5.398 -20.700 11.621 1.00 42.10 H new ATOM 0 HD13 LEU A 32 5.699 -19.899 10.060 1.00 42.10 H new ATOM 0 HD21 LEU A 32 5.427 -22.424 8.392 1.00 12.11 H new ATOM 0 HD22 LEU A 32 6.790 -21.300 8.172 1.00 12.11 H new ATOM 0 HD23 LEU A 32 7.100 -23.024 8.490 1.00 12.11 H new ATOM 326 N ASN A 33 10.304 -20.478 12.913 1.00 44.02 N ATOM 327 CA ASN A 33 11.749 -20.482 13.241 1.00 20.44 C ATOM 328 C ASN A 33 12.542 -20.805 11.957 1.00 51.42 C ATOM 329 O ASN A 33 13.609 -21.427 11.971 1.00 22.12 O ATOM 330 CB ASN A 33 12.046 -21.504 14.382 1.00 31.05 C ATOM 331 CG ASN A 33 13.427 -21.345 15.039 1.00 74.21 C ATOM 332 OD1 ASN A 33 13.584 -20.623 16.016 1.00 23.31 O ATOM 333 ND2 ASN A 33 14.423 -22.016 14.521 1.00 15.03 N ATOM 0 H ASN A 33 9.859 -19.572 13.063 1.00 44.02 H new ATOM 0 HA ASN A 33 12.057 -19.503 13.607 1.00 20.44 H new ATOM 0 HB2 ASN A 33 11.279 -21.404 15.150 1.00 31.05 H new ATOM 0 HB3 ASN A 33 11.964 -22.513 13.979 1.00 31.05 H new ATOM 0 HD21 ASN A 33 15.354 -21.944 14.931 1.00 15.03 H new ATOM 0 HD22 ASN A 33 14.268 -22.611 13.707 1.00 15.03 H new ATOM 340 N LEU A 34 12.023 -20.329 10.853 1.00 42.11 N ATOM 341 CA LEU A 34 12.611 -20.573 9.566 1.00 2.21 C ATOM 342 C LEU A 34 13.294 -19.338 9.051 1.00 14.23 C ATOM 343 O LEU A 34 13.187 -18.264 9.630 1.00 13.22 O ATOM 344 CB LEU A 34 11.576 -21.104 8.557 1.00 65.10 C ATOM 345 CG LEU A 34 11.702 -22.589 8.193 1.00 35.25 C ATOM 346 CD1 LEU A 34 11.692 -23.465 9.429 1.00 32.24 C ATOM 347 CD2 LEU A 34 10.600 -22.999 7.235 1.00 32.31 C ATOM 0 H LEU A 34 11.177 -19.759 10.825 1.00 42.11 H new ATOM 0 HA LEU A 34 13.365 -21.351 9.688 1.00 2.21 H new ATOM 0 HB2 LEU A 34 10.579 -20.932 8.963 1.00 65.10 H new ATOM 0 HB3 LEU A 34 11.654 -20.517 7.642 1.00 65.10 H new ATOM 0 HG LEU A 34 12.662 -22.730 7.697 1.00 35.25 H new ATOM 0 HD11 LEU A 34 11.783 -24.511 9.135 1.00 32.24 H new ATOM 0 HD12 LEU A 34 12.529 -23.195 10.073 1.00 32.24 H new ATOM 0 HD13 LEU A 34 10.757 -23.320 9.970 1.00 32.24 H new ATOM 0 HD21 LEU A 34 10.706 -24.055 6.989 1.00 32.31 H new ATOM 0 HD22 LEU A 34 9.630 -22.831 7.703 1.00 32.31 H new ATOM 0 HD23 LEU A 34 10.670 -22.405 6.324 1.00 32.31 H new ATOM 359 N THR A 35 13.997 -19.482 7.973 1.00 70.33 N ATOM 360 CA THR A 35 14.730 -18.396 7.427 1.00 74.12 C ATOM 361 C THR A 35 14.081 -17.960 6.104 1.00 24.50 C ATOM 362 O THR A 35 13.447 -18.781 5.436 1.00 35.35 O ATOM 363 CB THR A 35 16.212 -18.808 7.235 1.00 42.14 C ATOM 364 OG1 THR A 35 16.294 -19.922 6.344 1.00 2.33 O ATOM 365 CG2 THR A 35 16.812 -19.222 8.573 1.00 24.22 C ATOM 0 H THR A 35 14.076 -20.355 7.451 1.00 70.33 H new ATOM 0 HA THR A 35 14.710 -17.546 8.109 1.00 74.12 H new ATOM 0 HB THR A 35 16.758 -17.958 6.826 1.00 42.14 H new ATOM 0 HG1 THR A 35 17.233 -20.177 6.225 1.00 2.33 H new ATOM 0 HG21 THR A 35 17.854 -19.510 8.431 1.00 24.22 H new ATOM 0 HG22 THR A 35 16.759 -18.386 9.270 1.00 24.22 H new ATOM 0 HG23 THR A 35 16.253 -20.067 8.976 1.00 24.22 H new ATOM 373 N PRO A 36 14.224 -16.672 5.703 1.00 21.25 N ATOM 374 CA PRO A 36 13.583 -16.120 4.479 1.00 45.20 C ATOM 375 C PRO A 36 13.913 -16.875 3.177 1.00 52.23 C ATOM 376 O PRO A 36 13.188 -16.773 2.210 1.00 23.32 O ATOM 377 CB PRO A 36 14.136 -14.692 4.403 1.00 45.45 C ATOM 378 CG PRO A 36 14.510 -14.349 5.800 1.00 73.52 C ATOM 379 CD PRO A 36 14.978 -15.627 6.433 1.00 44.15 C ATOM 0 HA PRO A 36 12.498 -16.196 4.557 1.00 45.20 H new ATOM 0 HB2 PRO A 36 14.999 -14.638 3.739 1.00 45.45 H new ATOM 0 HB3 PRO A 36 13.390 -14.000 4.013 1.00 45.45 H new ATOM 0 HG2 PRO A 36 15.296 -13.594 5.819 1.00 73.52 H new ATOM 0 HG3 PRO A 36 13.659 -13.936 6.341 1.00 73.52 H new ATOM 0 HD2 PRO A 36 16.054 -15.758 6.323 1.00 44.15 H new ATOM 0 HD3 PRO A 36 14.762 -15.648 7.501 1.00 44.15 H new ATOM 387 N GLN A 37 15.021 -17.598 3.155 1.00 15.55 N ATOM 388 CA GLN A 37 15.404 -18.345 1.951 1.00 20.34 C ATOM 389 C GLN A 37 15.016 -19.811 2.054 1.00 73.42 C ATOM 390 O GLN A 37 15.151 -20.563 1.103 1.00 42.33 O ATOM 391 CB GLN A 37 16.897 -18.194 1.645 1.00 35.21 C ATOM 392 CG GLN A 37 17.337 -16.760 1.384 1.00 61.12 C ATOM 393 CD GLN A 37 18.809 -16.653 1.032 1.00 23.34 C ATOM 394 OE1 GLN A 37 19.188 -16.719 -0.120 1.00 62.54 O ATOM 395 NE2 GLN A 37 19.646 -16.486 2.026 1.00 71.14 N ATOM 0 H GLN A 37 15.667 -17.688 3.939 1.00 15.55 H new ATOM 0 HA GLN A 37 14.849 -17.913 1.118 1.00 20.34 H new ATOM 0 HB2 GLN A 37 17.470 -18.592 2.482 1.00 35.21 H new ATOM 0 HB3 GLN A 37 17.142 -18.802 0.774 1.00 35.21 H new ATOM 0 HG2 GLN A 37 16.742 -16.344 0.571 1.00 61.12 H new ATOM 0 HG3 GLN A 37 17.134 -16.156 2.268 1.00 61.12 H new ATOM 0 HE21 GLN A 37 19.297 -16.434 2.983 1.00 71.14 H new ATOM 0 HE22 GLN A 37 20.646 -16.408 1.843 1.00 71.14 H new ATOM 404 N GLN A 38 14.554 -20.213 3.210 1.00 1.00 N ATOM 405 CA GLN A 38 14.140 -21.556 3.416 1.00 74.02 C ATOM 406 C GLN A 38 12.629 -21.618 3.378 1.00 30.24 C ATOM 407 O GLN A 38 12.041 -22.563 2.853 1.00 20.11 O ATOM 408 CB GLN A 38 14.696 -22.063 4.733 1.00 44.54 C ATOM 409 CG GLN A 38 14.271 -23.451 5.092 1.00 21.33 C ATOM 410 CD GLN A 38 15.015 -23.976 6.294 1.00 50.31 C ATOM 411 OE1 GLN A 38 14.608 -23.782 7.417 1.00 0.54 O ATOM 412 NE2 GLN A 38 16.112 -24.650 6.058 1.00 40.44 N ATOM 0 H GLN A 38 14.459 -19.611 4.028 1.00 1.00 H new ATOM 0 HA GLN A 38 14.525 -22.201 2.626 1.00 74.02 H new ATOM 0 HB2 GLN A 38 15.785 -22.030 4.690 1.00 44.54 H new ATOM 0 HB3 GLN A 38 14.387 -21.385 5.528 1.00 44.54 H new ATOM 0 HG2 GLN A 38 13.200 -23.461 5.295 1.00 21.33 H new ATOM 0 HG3 GLN A 38 14.440 -24.113 4.243 1.00 21.33 H new ATOM 0 HE21 GLN A 38 16.425 -24.794 5.098 1.00 40.44 H new ATOM 0 HE22 GLN A 38 16.653 -25.031 6.834 1.00 40.44 H new ATOM 421 N LEU A 39 11.996 -20.597 3.911 1.00 3.43 N ATOM 422 CA LEU A 39 10.577 -20.530 3.870 1.00 71.30 C ATOM 423 C LEU A 39 10.192 -19.817 2.590 1.00 14.33 C ATOM 424 O LEU A 39 10.037 -18.603 2.557 1.00 35.45 O ATOM 425 CB LEU A 39 9.996 -19.823 5.119 1.00 71.15 C ATOM 426 CG LEU A 39 8.528 -20.129 5.506 1.00 72.44 C ATOM 427 CD1 LEU A 39 8.175 -19.438 6.799 1.00 12.35 C ATOM 428 CD2 LEU A 39 7.552 -19.716 4.433 1.00 71.31 C ATOM 0 H LEU A 39 12.452 -19.810 4.374 1.00 3.43 H new ATOM 0 HA LEU A 39 10.155 -21.535 3.881 1.00 71.30 H new ATOM 0 HB2 LEU A 39 10.627 -20.077 5.971 1.00 71.15 H new ATOM 0 HB3 LEU A 39 10.085 -18.747 4.966 1.00 71.15 H new ATOM 0 HG LEU A 39 8.451 -21.210 5.627 1.00 72.44 H new ATOM 0 HD11 LEU A 39 7.140 -19.661 7.060 1.00 12.35 H new ATOM 0 HD12 LEU A 39 8.834 -19.792 7.592 1.00 12.35 H new ATOM 0 HD13 LEU A 39 8.295 -18.361 6.681 1.00 12.35 H new ATOM 0 HD21 LEU A 39 6.537 -19.952 4.754 1.00 71.31 H new ATOM 0 HD22 LEU A 39 7.637 -18.644 4.257 1.00 71.31 H new ATOM 0 HD23 LEU A 39 7.776 -20.253 3.511 1.00 71.31 H new ATOM 440 N HIS A 40 10.175 -20.578 1.537 1.00 53.13 N ATOM 441 CA HIS A 40 9.716 -20.126 0.248 1.00 20.41 C ATOM 442 C HIS A 40 8.204 -20.035 0.296 1.00 23.52 C ATOM 443 O HIS A 40 7.569 -20.820 1.008 1.00 1.33 O ATOM 444 CB HIS A 40 10.149 -21.161 -0.819 1.00 44.52 C ATOM 445 CG HIS A 40 9.623 -20.933 -2.218 1.00 30.15 C ATOM 446 ND1 HIS A 40 8.723 -21.780 -2.841 1.00 63.50 N ATOM 447 CD2 HIS A 40 9.899 -19.959 -3.118 1.00 1.31 C ATOM 448 CE1 HIS A 40 8.489 -21.303 -4.068 1.00 1.43 C ATOM 449 NE2 HIS A 40 9.174 -20.204 -4.287 1.00 55.54 N ATOM 0 H HIS A 40 10.485 -21.550 1.545 1.00 53.13 H new ATOM 0 HA HIS A 40 10.138 -19.153 -0.002 1.00 20.41 H new ATOM 0 HB2 HIS A 40 11.238 -21.176 -0.860 1.00 44.52 H new ATOM 0 HB3 HIS A 40 9.829 -22.149 -0.489 1.00 44.52 H new ATOM 0 HD2 HIS A 40 10.570 -19.128 -2.958 1.00 1.31 H new ATOM 0 HE1 HIS A 40 7.824 -21.761 -4.785 1.00 1.43 H new ATOM 0 HE2 HIS A 40 9.176 -19.643 -5.139 1.00 55.54 H new ATOM 457 N GLU A 41 7.660 -19.096 -0.444 1.00 2.54 N ATOM 458 CA GLU A 41 6.226 -18.849 -0.585 1.00 13.42 C ATOM 459 C GLU A 41 5.405 -20.146 -0.657 1.00 63.44 C ATOM 460 O GLU A 41 4.545 -20.392 0.185 1.00 31.24 O ATOM 461 CB GLU A 41 5.981 -18.012 -1.855 1.00 1.33 C ATOM 462 CG GLU A 41 6.327 -16.512 -1.761 1.00 5.04 C ATOM 463 CD GLU A 41 7.676 -16.197 -1.139 1.00 70.22 C ATOM 464 OE1 GLU A 41 8.678 -16.831 -1.513 1.00 52.13 O ATOM 465 OE2 GLU A 41 7.723 -15.340 -0.225 1.00 64.22 O ATOM 0 H GLU A 41 8.224 -18.448 -0.994 1.00 2.54 H new ATOM 0 HA GLU A 41 5.896 -18.310 0.303 1.00 13.42 H new ATOM 0 HB2 GLU A 41 6.561 -18.447 -2.669 1.00 1.33 H new ATOM 0 HB3 GLU A 41 4.930 -18.104 -2.128 1.00 1.33 H new ATOM 0 HG2 GLU A 41 6.299 -16.086 -2.764 1.00 5.04 H new ATOM 0 HG3 GLU A 41 5.552 -16.012 -1.180 1.00 5.04 H new ATOM 472 N GLU A 42 5.724 -21.000 -1.607 1.00 65.12 N ATOM 473 CA GLU A 42 4.948 -22.218 -1.795 1.00 2.43 C ATOM 474 C GLU A 42 5.427 -23.413 -0.979 1.00 11.24 C ATOM 475 O GLU A 42 5.180 -24.565 -1.338 1.00 75.35 O ATOM 476 CB GLU A 42 4.750 -22.556 -3.270 1.00 54.40 C ATOM 477 CG GLU A 42 3.825 -21.570 -3.964 1.00 22.33 C ATOM 478 CD GLU A 42 2.502 -21.424 -3.218 1.00 70.33 C ATOM 479 OE1 GLU A 42 2.430 -20.592 -2.294 1.00 14.51 O ATOM 480 OE2 GLU A 42 1.546 -22.143 -3.519 1.00 23.35 O ATOM 0 H GLU A 42 6.503 -20.881 -2.255 1.00 65.12 H new ATOM 0 HA GLU A 42 3.966 -21.987 -1.382 1.00 2.43 H new ATOM 0 HB2 GLU A 42 5.717 -22.561 -3.773 1.00 54.40 H new ATOM 0 HB3 GLU A 42 4.339 -23.562 -3.359 1.00 54.40 H new ATOM 0 HG2 GLU A 42 4.314 -20.598 -4.034 1.00 22.33 H new ATOM 0 HG3 GLU A 42 3.634 -21.905 -4.984 1.00 22.33 H new ATOM 487 N SER A 43 6.092 -23.158 0.113 1.00 2.44 N ATOM 488 CA SER A 43 6.390 -24.218 1.032 1.00 12.34 C ATOM 489 C SER A 43 5.126 -24.445 1.858 1.00 1.21 C ATOM 490 O SER A 43 4.576 -23.486 2.409 1.00 22.15 O ATOM 491 CB SER A 43 7.543 -23.818 1.944 1.00 75.01 C ATOM 492 OG SER A 43 8.628 -23.328 1.179 1.00 31.41 O ATOM 0 H SER A 43 6.434 -22.237 0.386 1.00 2.44 H new ATOM 0 HA SER A 43 6.686 -25.124 0.502 1.00 12.34 H new ATOM 0 HB2 SER A 43 7.211 -23.054 2.647 1.00 75.01 H new ATOM 0 HB3 SER A 43 7.864 -24.677 2.534 1.00 75.01 H new ATOM 0 HG SER A 43 8.458 -22.396 0.929 1.00 31.41 H new ATOM 498 N ASN A 44 4.629 -25.683 1.889 1.00 22.51 N ATOM 499 CA ASN A 44 3.420 -25.991 2.658 1.00 33.21 C ATOM 500 C ASN A 44 3.686 -25.651 4.104 1.00 35.24 C ATOM 501 O ASN A 44 4.582 -26.220 4.708 1.00 2.14 O ATOM 502 CB ASN A 44 3.069 -27.472 2.600 1.00 33.33 C ATOM 503 CG ASN A 44 1.655 -27.748 3.094 1.00 32.25 C ATOM 504 OD1 ASN A 44 1.432 -27.935 4.285 1.00 73.54 O ATOM 505 ND2 ASN A 44 0.702 -27.786 2.196 1.00 73.52 N ATOM 0 H ASN A 44 5.037 -26.479 1.399 1.00 22.51 H new ATOM 0 HA ASN A 44 2.596 -25.417 2.235 1.00 33.21 H new ATOM 0 HB2 ASN A 44 3.170 -27.828 1.575 1.00 33.33 H new ATOM 0 HB3 ASN A 44 3.780 -28.036 3.204 1.00 33.33 H new ATOM 0 HD21 ASN A 44 -0.259 -27.976 2.480 1.00 73.52 H new ATOM 0 HD22 ASN A 44 0.921 -27.626 1.213 1.00 73.52 H new ATOM 512 N LEU A 45 2.913 -24.756 4.660 1.00 72.31 N ATOM 513 CA LEU A 45 3.168 -24.267 6.011 1.00 31.21 C ATOM 514 C LEU A 45 2.999 -25.351 7.055 1.00 54.01 C ATOM 515 O LEU A 45 3.738 -25.398 8.039 1.00 61.24 O ATOM 516 CB LEU A 45 2.285 -23.077 6.324 1.00 34.32 C ATOM 517 CG LEU A 45 2.420 -21.902 5.368 1.00 34.45 C ATOM 518 CD1 LEU A 45 1.507 -20.775 5.791 1.00 40.22 C ATOM 519 CD2 LEU A 45 3.867 -21.421 5.291 1.00 60.25 C ATOM 0 H LEU A 45 2.098 -24.343 4.207 1.00 72.31 H new ATOM 0 HA LEU A 45 4.210 -23.949 6.047 1.00 31.21 H new ATOM 0 HB2 LEU A 45 1.246 -23.406 6.325 1.00 34.32 H new ATOM 0 HB3 LEU A 45 2.512 -22.732 7.333 1.00 34.32 H new ATOM 0 HG LEU A 45 2.125 -22.236 4.373 1.00 34.45 H new ATOM 0 HD11 LEU A 45 1.614 -19.941 5.098 1.00 40.22 H new ATOM 0 HD12 LEU A 45 0.474 -21.122 5.785 1.00 40.22 H new ATOM 0 HD13 LEU A 45 1.774 -20.448 6.796 1.00 40.22 H new ATOM 0 HD21 LEU A 45 3.935 -20.580 4.600 1.00 60.25 H new ATOM 0 HD22 LEU A 45 4.199 -21.106 6.280 1.00 60.25 H new ATOM 0 HD23 LEU A 45 4.502 -22.233 4.937 1.00 60.25 H new ATOM 531 N ILE A 46 2.080 -26.249 6.807 1.00 53.51 N ATOM 532 CA ILE A 46 1.807 -27.349 7.733 1.00 41.34 C ATOM 533 C ILE A 46 2.953 -28.380 7.680 1.00 3.25 C ATOM 534 O ILE A 46 3.198 -29.121 8.620 1.00 1.02 O ATOM 535 CB ILE A 46 0.433 -28.021 7.412 1.00 62.40 C ATOM 536 CG1 ILE A 46 -0.677 -26.952 7.418 1.00 35.43 C ATOM 537 CG2 ILE A 46 0.110 -29.129 8.423 1.00 1.01 C ATOM 538 CD1 ILE A 46 -2.064 -27.486 7.106 1.00 41.13 C ATOM 0 H ILE A 46 1.498 -26.250 5.969 1.00 53.51 H new ATOM 0 HA ILE A 46 1.749 -26.947 8.744 1.00 41.34 H new ATOM 0 HB ILE A 46 0.492 -28.478 6.424 1.00 62.40 H new ATOM 0 HG12 ILE A 46 -0.697 -26.472 8.397 1.00 35.43 H new ATOM 0 HG13 ILE A 46 -0.426 -26.181 6.690 1.00 35.43 H new ATOM 0 HG21 ILE A 46 -0.851 -29.579 8.175 1.00 1.01 H new ATOM 0 HG22 ILE A 46 0.888 -29.892 8.387 1.00 1.01 H new ATOM 0 HG23 ILE A 46 0.064 -28.704 9.426 1.00 1.01 H new ATOM 0 HD11 ILE A 46 -2.783 -26.667 7.131 1.00 41.13 H new ATOM 0 HD12 ILE A 46 -2.065 -27.939 6.115 1.00 41.13 H new ATOM 0 HD13 ILE A 46 -2.341 -28.235 7.848 1.00 41.13 H new ATOM 550 N GLN A 47 3.663 -28.378 6.577 1.00 75.43 N ATOM 551 CA GLN A 47 4.804 -29.266 6.370 1.00 32.01 C ATOM 552 C GLN A 47 6.098 -28.564 6.786 1.00 30.44 C ATOM 553 O GLN A 47 7.155 -29.171 6.847 1.00 44.34 O ATOM 554 CB GLN A 47 4.862 -29.690 4.895 1.00 52.23 C ATOM 555 CG GLN A 47 3.651 -30.502 4.445 1.00 71.02 C ATOM 556 CD GLN A 47 3.515 -31.826 5.181 1.00 35.42 C ATOM 557 OE1 GLN A 47 4.029 -32.841 4.747 1.00 63.51 O ATOM 558 NE2 GLN A 47 2.834 -31.818 6.300 1.00 5.35 N ATOM 0 H GLN A 47 3.472 -27.760 5.788 1.00 75.43 H new ATOM 0 HA GLN A 47 4.689 -30.158 6.986 1.00 32.01 H new ATOM 0 HB2 GLN A 47 4.943 -28.799 4.272 1.00 52.23 H new ATOM 0 HB3 GLN A 47 5.765 -30.278 4.730 1.00 52.23 H new ATOM 0 HG2 GLN A 47 2.747 -29.912 4.600 1.00 71.02 H new ATOM 0 HG3 GLN A 47 3.727 -30.694 3.375 1.00 71.02 H new ATOM 0 HE21 GLN A 47 2.416 -30.951 6.636 1.00 5.35 H new ATOM 0 HE22 GLN A 47 2.722 -32.679 6.835 1.00 5.35 H new ATOM 567 N ALA A 48 5.992 -27.273 7.045 1.00 32.41 N ATOM 568 CA ALA A 48 7.132 -26.468 7.425 1.00 63.13 C ATOM 569 C ALA A 48 7.191 -26.268 8.941 1.00 52.42 C ATOM 570 O ALA A 48 8.214 -26.518 9.559 1.00 2.45 O ATOM 571 CB ALA A 48 7.103 -25.128 6.695 1.00 72.11 C ATOM 0 H ALA A 48 5.114 -26.757 6.997 1.00 32.41 H new ATOM 0 HA ALA A 48 8.037 -27.000 7.131 1.00 63.13 H new ATOM 0 HB1 ALA A 48 7.967 -24.533 6.991 1.00 72.11 H new ATOM 0 HB2 ALA A 48 7.132 -25.299 5.619 1.00 72.11 H new ATOM 0 HB3 ALA A 48 6.189 -24.593 6.953 1.00 72.11 H new ATOM 577 N GLY A 49 6.093 -25.820 9.538 1.00 22.10 N ATOM 578 CA GLY A 49 6.093 -25.619 10.975 1.00 63.02 C ATOM 579 C GLY A 49 4.919 -24.800 11.471 1.00 61.31 C ATOM 580 O GLY A 49 5.070 -23.956 12.351 1.00 72.24 O ATOM 0 H GLY A 49 5.218 -25.596 9.064 1.00 22.10 H new ATOM 0 HA2 GLY A 49 6.083 -26.590 11.470 1.00 63.02 H new ATOM 0 HA3 GLY A 49 7.020 -25.123 11.265 1.00 63.02 H new ATOM 584 N LEU A 50 3.762 -25.057 10.925 1.00 11.44 N ATOM 585 CA LEU A 50 2.520 -24.389 11.294 1.00 20.04 C ATOM 586 C LEU A 50 1.501 -25.467 11.426 1.00 11.21 C ATOM 587 O LEU A 50 1.475 -26.386 10.613 1.00 13.55 O ATOM 588 CB LEU A 50 2.099 -23.420 10.183 1.00 3.31 C ATOM 589 CG LEU A 50 0.898 -22.529 10.484 1.00 12.40 C ATOM 590 CD1 LEU A 50 1.244 -21.515 11.546 1.00 75.15 C ATOM 591 CD2 LEU A 50 0.417 -21.837 9.238 1.00 64.30 C ATOM 0 H LEU A 50 3.642 -25.754 10.190 1.00 11.44 H new ATOM 0 HA LEU A 50 2.631 -23.819 12.216 1.00 20.04 H new ATOM 0 HB2 LEU A 50 2.949 -22.780 9.946 1.00 3.31 H new ATOM 0 HB3 LEU A 50 1.878 -24.001 9.287 1.00 3.31 H new ATOM 0 HG LEU A 50 0.093 -23.162 10.856 1.00 12.40 H new ATOM 0 HD11 LEU A 50 0.375 -20.888 11.748 1.00 75.15 H new ATOM 0 HD12 LEU A 50 1.539 -22.031 12.460 1.00 75.15 H new ATOM 0 HD13 LEU A 50 2.068 -20.892 11.199 1.00 75.15 H new ATOM 0 HD21 LEU A 50 -0.440 -21.208 9.479 1.00 64.30 H new ATOM 0 HD22 LEU A 50 1.218 -21.219 8.833 1.00 64.30 H new ATOM 0 HD23 LEU A 50 0.124 -22.582 8.498 1.00 64.30 H new ATOM 603 N ASP A 51 0.708 -25.390 12.432 1.00 73.13 N ATOM 604 CA ASP A 51 -0.269 -26.386 12.690 1.00 75.33 C ATOM 605 C ASP A 51 -1.627 -25.834 12.444 1.00 12.13 C ATOM 606 O ASP A 51 -1.783 -24.622 12.316 1.00 2.23 O ATOM 607 CB ASP A 51 -0.167 -26.889 14.141 1.00 11.12 C ATOM 608 CG ASP A 51 -0.165 -25.757 15.154 1.00 24.33 C ATOM 609 OD1 ASP A 51 -1.228 -25.166 15.428 1.00 44.20 O ATOM 610 OD2 ASP A 51 0.941 -25.420 15.657 1.00 35.41 O ATOM 0 H ASP A 51 0.718 -24.626 13.107 1.00 73.13 H new ATOM 0 HA ASP A 51 -0.090 -27.227 12.020 1.00 75.33 H new ATOM 0 HB2 ASP A 51 -1.003 -27.557 14.350 1.00 11.12 H new ATOM 0 HB3 ASP A 51 0.745 -27.475 14.255 1.00 11.12 H new ATOM 667 N ILE A 53 -4.388 -25.415 14.281 1.00 20.43 N ATOM 668 CA ILE A 53 -4.780 -24.372 15.223 1.00 23.31 C ATOM 669 C ILE A 53 -4.128 -23.011 14.908 1.00 32.34 C ATOM 670 O ILE A 53 -4.823 -21.981 14.887 1.00 43.41 O ATOM 671 CB ILE A 53 -4.439 -24.790 16.670 1.00 10.20 C ATOM 672 CG1 ILE A 53 -5.183 -26.092 17.039 1.00 62.10 C ATOM 673 CG2 ILE A 53 -4.763 -23.668 17.674 1.00 64.21 C ATOM 674 CD1 ILE A 53 -6.707 -26.017 16.903 1.00 72.54 C ATOM 0 HA ILE A 53 -5.858 -24.251 15.120 1.00 23.31 H new ATOM 0 HB ILE A 53 -3.366 -24.973 16.724 1.00 10.20 H new ATOM 0 HG12 ILE A 53 -4.814 -26.898 16.404 1.00 62.10 H new ATOM 0 HG13 ILE A 53 -4.936 -26.357 18.067 1.00 62.10 H new ATOM 0 HG21 ILE A 53 -4.510 -23.997 18.682 1.00 64.21 H new ATOM 0 HG22 ILE A 53 -4.182 -22.779 17.426 1.00 64.21 H new ATOM 0 HG23 ILE A 53 -5.826 -23.432 17.625 1.00 64.21 H new ATOM 0 HD11 ILE A 53 -7.145 -26.975 17.183 1.00 72.54 H new ATOM 0 HD12 ILE A 53 -7.093 -25.237 17.559 1.00 72.54 H new ATOM 0 HD13 ILE A 53 -6.969 -25.786 15.871 1.00 72.54 H new ATOM 686 N ARG A 54 -2.823 -22.990 14.638 1.00 5.11 N ATOM 687 CA ARG A 54 -2.172 -21.753 14.294 1.00 15.40 C ATOM 688 C ARG A 54 -2.597 -21.210 12.959 1.00 64.42 C ATOM 689 O ARG A 54 -2.683 -20.003 12.777 1.00 30.40 O ATOM 690 CB ARG A 54 -0.716 -21.875 14.361 1.00 40.11 C ATOM 691 CG ARG A 54 -0.218 -21.762 15.745 1.00 63.24 C ATOM 692 CD ARG A 54 1.239 -21.694 15.715 1.00 2.10 C ATOM 693 NE ARG A 54 1.825 -22.964 15.367 1.00 35.34 N ATOM 694 CZ ARG A 54 2.929 -23.137 14.686 1.00 24.44 C ATOM 695 NH1 ARG A 54 3.530 -22.111 14.072 1.00 12.13 N ATOM 696 NH2 ARG A 54 3.393 -24.361 14.546 1.00 21.14 N ATOM 0 H ARG A 54 -2.215 -23.808 14.653 1.00 5.11 H new ATOM 0 HA ARG A 54 -2.495 -21.031 15.044 1.00 15.40 H new ATOM 0 HB2 ARG A 54 -0.412 -22.835 13.943 1.00 40.11 H new ATOM 0 HB3 ARG A 54 -0.258 -21.100 13.746 1.00 40.11 H new ATOM 0 HG2 ARG A 54 -0.628 -20.872 16.222 1.00 63.24 H new ATOM 0 HG3 ARG A 54 -0.544 -22.619 16.335 1.00 63.24 H new ATOM 0 HD2 ARG A 54 1.553 -20.939 14.995 1.00 2.10 H new ATOM 0 HD3 ARG A 54 1.609 -21.378 16.690 1.00 2.10 H new ATOM 0 HE ARG A 54 1.336 -23.803 15.679 1.00 35.34 H new ATOM 0 HH11 ARG A 54 3.128 -21.175 14.130 1.00 12.13 H new ATOM 0 HH12 ARG A 54 4.390 -22.265 13.546 1.00 12.13 H new ATOM 0 HH21 ARG A 54 2.894 -25.146 14.964 1.00 21.14 H new ATOM 0 HH22 ARG A 54 4.252 -24.524 14.020 1.00 21.14 H new ATOM 710 N LEU A 55 -2.899 -22.085 12.044 1.00 2.04 N ATOM 711 CA LEU A 55 -3.378 -21.691 10.747 1.00 21.04 C ATOM 712 C LEU A 55 -4.761 -21.089 10.870 1.00 62.04 C ATOM 713 O LEU A 55 -5.084 -20.094 10.214 1.00 3.51 O ATOM 714 CB LEU A 55 -3.373 -22.862 9.787 1.00 34.54 C ATOM 715 CG LEU A 55 -3.706 -22.519 8.348 1.00 2.12 C ATOM 716 CD1 LEU A 55 -2.968 -23.420 7.453 1.00 71.54 C ATOM 717 CD2 LEU A 55 -5.183 -22.634 8.070 1.00 22.43 C ATOM 0 H LEU A 55 -2.821 -23.094 12.174 1.00 2.04 H new ATOM 0 HA LEU A 55 -2.706 -20.935 10.340 1.00 21.04 H new ATOM 0 HB2 LEU A 55 -2.388 -23.329 9.814 1.00 34.54 H new ATOM 0 HB3 LEU A 55 -4.088 -23.605 10.141 1.00 34.54 H new ATOM 0 HG LEU A 55 -3.414 -21.483 8.172 1.00 2.12 H new ATOM 0 HD11 LEU A 55 -3.204 -23.177 6.417 1.00 71.54 H new ATOM 0 HD12 LEU A 55 -1.897 -23.301 7.619 1.00 71.54 H new ATOM 0 HD13 LEU A 55 -3.254 -24.452 7.658 1.00 71.54 H new ATOM 0 HD21 LEU A 55 -5.378 -22.380 7.028 1.00 22.43 H new ATOM 0 HD22 LEU A 55 -5.511 -23.656 8.262 1.00 22.43 H new ATOM 0 HD23 LEU A 55 -5.730 -21.950 8.719 1.00 22.43 H new ATOM 729 N MET A 56 -5.577 -21.675 11.714 1.00 10.42 N ATOM 730 CA MET A 56 -6.882 -21.112 11.985 1.00 22.45 C ATOM 731 C MET A 56 -6.713 -19.783 12.670 1.00 63.11 C ATOM 732 O MET A 56 -7.500 -18.846 12.471 1.00 25.50 O ATOM 733 CB MET A 56 -7.718 -22.009 12.864 1.00 71.24 C ATOM 734 CG MET A 56 -9.064 -21.379 13.235 1.00 52.33 C ATOM 735 SD MET A 56 -9.679 -21.962 14.797 1.00 73.31 S ATOM 736 CE MET A 56 -8.271 -21.515 15.801 1.00 62.32 C ATOM 0 H MET A 56 -5.365 -22.534 12.222 1.00 10.42 H new ATOM 0 HA MET A 56 -7.398 -20.999 11.031 1.00 22.45 H new ATOM 0 HB2 MET A 56 -7.892 -22.955 12.351 1.00 71.24 H new ATOM 0 HB3 MET A 56 -7.164 -22.238 13.775 1.00 71.24 H new ATOM 0 HG2 MET A 56 -8.957 -20.295 13.272 1.00 52.33 H new ATOM 0 HG3 MET A 56 -9.793 -21.601 12.455 1.00 52.33 H new ATOM 0 HE1 MET A 56 -8.613 -21.187 16.783 1.00 62.32 H new ATOM 0 HE2 MET A 56 -7.616 -22.379 15.915 1.00 62.32 H new ATOM 0 HE3 MET A 56 -7.723 -20.705 15.319 1.00 62.32 H new ATOM 746 N ARG A 57 -5.671 -19.690 13.460 1.00 55.33 N ATOM 747 CA ARG A 57 -5.375 -18.489 14.139 1.00 50.40 C ATOM 748 C ARG A 57 -4.973 -17.408 13.102 1.00 74.33 C ATOM 749 O ARG A 57 -5.150 -16.211 13.342 1.00 54.14 O ATOM 750 CB ARG A 57 -4.283 -18.702 15.171 1.00 1.02 C ATOM 751 CG ARG A 57 -4.098 -17.570 16.151 1.00 41.50 C ATOM 752 CD ARG A 57 -5.346 -17.417 16.965 1.00 15.20 C ATOM 753 NE ARG A 57 -5.243 -16.374 18.000 1.00 31.33 N ATOM 754 CZ ARG A 57 -6.292 -15.839 18.665 1.00 55.10 C ATOM 755 NH1 ARG A 57 -7.544 -16.213 18.362 1.00 1.44 N ATOM 756 NH2 ARG A 57 -6.083 -14.928 19.625 1.00 25.44 N ATOM 0 H ARG A 57 -5.017 -20.452 13.638 1.00 55.33 H new ATOM 0 HA ARG A 57 -6.259 -18.150 14.679 1.00 50.40 H new ATOM 0 HB2 ARG A 57 -4.504 -19.612 15.729 1.00 1.02 H new ATOM 0 HB3 ARG A 57 -3.340 -18.869 14.650 1.00 1.02 H new ATOM 0 HG2 ARG A 57 -3.247 -17.771 16.802 1.00 41.50 H new ATOM 0 HG3 ARG A 57 -3.880 -16.644 15.619 1.00 41.50 H new ATOM 0 HD2 ARG A 57 -6.177 -17.179 16.301 1.00 15.20 H new ATOM 0 HD3 ARG A 57 -5.580 -18.369 17.441 1.00 15.20 H new ATOM 0 HE ARG A 57 -4.311 -16.030 18.232 1.00 31.33 H new ATOM 0 HH11 ARG A 57 -7.707 -16.903 17.628 1.00 1.44 H new ATOM 0 HH12 ARG A 57 -8.333 -15.808 18.865 1.00 1.44 H new ATOM 0 HH21 ARG A 57 -5.132 -14.638 19.854 1.00 25.44 H new ATOM 0 HH22 ARG A 57 -6.874 -14.525 20.126 1.00 25.44 H new ATOM 770 N TRP A 58 -4.453 -17.852 11.936 1.00 34.00 N ATOM 771 CA TRP A 58 -4.169 -16.948 10.837 1.00 64.24 C ATOM 772 C TRP A 58 -5.434 -16.489 10.177 1.00 13.25 C ATOM 773 O TRP A 58 -5.538 -15.338 9.786 1.00 41.12 O ATOM 774 CB TRP A 58 -3.224 -17.542 9.803 1.00 13.52 C ATOM 775 CG TRP A 58 -1.813 -17.549 10.240 1.00 43.53 C ATOM 776 CD1 TRP A 58 -1.017 -18.627 10.447 1.00 32.14 C ATOM 777 CD2 TRP A 58 -1.027 -16.393 10.526 1.00 74.44 C ATOM 778 NE1 TRP A 58 0.230 -18.206 10.860 1.00 4.15 N ATOM 779 CE2 TRP A 58 0.246 -16.832 10.903 1.00 12.21 C ATOM 780 CE3 TRP A 58 -1.285 -15.017 10.493 1.00 21.21 C ATOM 781 CZ2 TRP A 58 1.270 -15.939 11.242 1.00 42.14 C ATOM 782 CZ3 TRP A 58 -0.279 -14.142 10.828 1.00 60.54 C ATOM 783 CH2 TRP A 58 0.981 -14.605 11.193 1.00 53.33 C ATOM 0 H TRP A 58 -4.228 -18.829 11.748 1.00 34.00 H new ATOM 0 HA TRP A 58 -3.661 -16.090 11.277 1.00 64.24 H new ATOM 0 HB2 TRP A 58 -3.534 -18.563 9.581 1.00 13.52 H new ATOM 0 HB3 TRP A 58 -3.308 -16.975 8.876 1.00 13.52 H new ATOM 0 HD1 TRP A 58 -1.314 -19.656 10.310 1.00 32.14 H new ATOM 0 HE1 TRP A 58 1.013 -18.815 11.095 1.00 4.15 H new ATOM 0 HE3 TRP A 58 -2.260 -14.649 10.209 1.00 21.21 H new ATOM 0 HZ2 TRP A 58 2.249 -16.291 11.531 1.00 42.14 H new ATOM 0 HZ3 TRP A 58 -0.470 -13.079 10.808 1.00 60.54 H new ATOM 0 HH2 TRP A 58 1.751 -13.891 11.444 1.00 53.33 H new ATOM 794 N LEU A 59 -6.420 -17.382 10.062 1.00 14.35 N ATOM 795 CA LEU A 59 -7.708 -16.980 9.515 1.00 44.44 C ATOM 796 C LEU A 59 -8.324 -15.928 10.390 1.00 5.23 C ATOM 797 O LEU A 59 -8.991 -15.009 9.911 1.00 54.24 O ATOM 798 CB LEU A 59 -8.694 -18.115 9.390 1.00 75.21 C ATOM 799 CG LEU A 59 -10.003 -17.663 8.778 1.00 2.24 C ATOM 800 CD1 LEU A 59 -9.801 -17.195 7.355 1.00 32.10 C ATOM 801 CD2 LEU A 59 -10.999 -18.730 8.845 1.00 11.33 C ATOM 0 H LEU A 59 -6.351 -18.363 10.334 1.00 14.35 H new ATOM 0 HA LEU A 59 -7.503 -16.605 8.512 1.00 44.44 H new ATOM 0 HB2 LEU A 59 -8.261 -18.906 8.777 1.00 75.21 H new ATOM 0 HB3 LEU A 59 -8.882 -18.542 10.375 1.00 75.21 H new ATOM 0 HG LEU A 59 -10.375 -16.817 9.356 1.00 2.24 H new ATOM 0 HD11 LEU A 59 -10.756 -16.876 6.938 1.00 32.10 H new ATOM 0 HD12 LEU A 59 -9.102 -16.359 7.343 1.00 32.10 H new ATOM 0 HD13 LEU A 59 -9.399 -18.013 6.757 1.00 32.10 H new ATOM 0 HD21 LEU A 59 -11.932 -18.385 8.400 1.00 11.33 H new ATOM 0 HD22 LEU A 59 -10.637 -19.601 8.299 1.00 11.33 H new ATOM 0 HD23 LEU A 59 -11.172 -19.001 9.886 1.00 11.33 H new ATOM 813 N HIS A 60 -8.097 -16.076 11.675 1.00 73.01 N ATOM 814 CA HIS A 60 -8.551 -15.129 12.646 1.00 14.43 C ATOM 815 C HIS A 60 -7.964 -13.764 12.318 1.00 33.35 C ATOM 816 O HIS A 60 -8.673 -12.779 12.279 1.00 44.13 O ATOM 817 CB HIS A 60 -8.123 -15.569 14.042 1.00 3.22 C ATOM 818 CG HIS A 60 -8.669 -14.711 15.112 1.00 54.03 C ATOM 819 ND1 HIS A 60 -7.912 -13.908 15.937 1.00 40.11 N ATOM 820 CD2 HIS A 60 -9.933 -14.558 15.489 1.00 12.11 C ATOM 821 CE1 HIS A 60 -8.748 -13.305 16.788 1.00 54.43 C ATOM 822 NE2 HIS A 60 -9.991 -13.669 16.560 1.00 45.43 N ATOM 0 H HIS A 60 -7.587 -16.866 12.071 1.00 73.01 H new ATOM 0 HA HIS A 60 -9.639 -15.070 12.623 1.00 14.43 H new ATOM 0 HB2 HIS A 60 -8.447 -16.597 14.208 1.00 3.22 H new ATOM 0 HB3 HIS A 60 -7.035 -15.564 14.100 1.00 3.22 H new ATOM 0 HD2 HIS A 60 -10.783 -15.046 15.036 1.00 12.11 H new ATOM 0 HE1 HIS A 60 -8.444 -12.612 17.559 1.00 54.43 H new ATOM 0 HE2 HIS A 60 -10.824 -13.364 17.063 1.00 45.43 H new ATOM 830 N TRP A 61 -6.673 -13.751 12.047 1.00 22.30 N ATOM 831 CA TRP A 61 -5.957 -12.556 11.661 1.00 4.13 C ATOM 832 C TRP A 61 -6.557 -11.981 10.371 1.00 63.22 C ATOM 833 O TRP A 61 -6.922 -10.815 10.337 1.00 20.42 O ATOM 834 CB TRP A 61 -4.464 -12.893 11.509 1.00 2.15 C ATOM 835 CG TRP A 61 -3.586 -11.783 11.017 1.00 74.21 C ATOM 836 CD1 TRP A 61 -3.140 -10.704 11.725 1.00 23.44 C ATOM 837 CD2 TRP A 61 -3.011 -11.671 9.709 1.00 41.22 C ATOM 838 NE1 TRP A 61 -2.333 -9.926 10.931 1.00 51.32 N ATOM 839 CE2 TRP A 61 -2.240 -10.499 9.690 1.00 31.10 C ATOM 840 CE3 TRP A 61 -3.080 -12.451 8.551 1.00 4.11 C ATOM 841 CZ2 TRP A 61 -1.539 -10.088 8.564 1.00 52.23 C ATOM 842 CZ3 TRP A 61 -2.384 -12.040 7.434 1.00 73.22 C ATOM 843 CH2 TRP A 61 -1.623 -10.869 7.448 1.00 51.20 C ATOM 0 H TRP A 61 -6.086 -14.584 12.090 1.00 22.30 H new ATOM 0 HA TRP A 61 -6.053 -11.789 12.430 1.00 4.13 H new ATOM 0 HB2 TRP A 61 -4.087 -13.226 12.476 1.00 2.15 H new ATOM 0 HB3 TRP A 61 -4.370 -13.735 10.823 1.00 2.15 H new ATOM 0 HD1 TRP A 61 -3.385 -10.494 12.756 1.00 23.44 H new ATOM 0 HE1 TRP A 61 -1.876 -9.061 11.219 1.00 51.32 H new ATOM 0 HE3 TRP A 61 -3.667 -13.357 8.532 1.00 4.11 H new ATOM 0 HZ2 TRP A 61 -0.949 -9.183 8.571 1.00 52.23 H new ATOM 0 HZ3 TRP A 61 -2.428 -12.634 6.533 1.00 73.22 H new ATOM 0 HH2 TRP A 61 -1.089 -10.575 6.556 1.00 51.20 H new ATOM 854 N PHE A 62 -6.714 -12.836 9.357 1.00 31.30 N ATOM 855 CA PHE A 62 -7.308 -12.452 8.070 1.00 33.34 C ATOM 856 C PHE A 62 -8.693 -11.832 8.220 1.00 61.50 C ATOM 857 O PHE A 62 -8.934 -10.726 7.744 1.00 3.21 O ATOM 858 CB PHE A 62 -7.400 -13.640 7.106 1.00 30.33 C ATOM 859 CG PHE A 62 -6.112 -14.044 6.459 1.00 73.42 C ATOM 860 CD1 PHE A 62 -5.520 -13.222 5.518 1.00 21.15 C ATOM 861 CD2 PHE A 62 -5.515 -15.255 6.749 1.00 43.23 C ATOM 862 CE1 PHE A 62 -4.359 -13.602 4.887 1.00 22.01 C ATOM 863 CE2 PHE A 62 -4.350 -15.636 6.126 1.00 54.53 C ATOM 864 CZ PHE A 62 -3.774 -14.809 5.191 1.00 51.13 C ATOM 0 H PHE A 62 -6.433 -13.815 9.404 1.00 31.30 H new ATOM 0 HA PHE A 62 -6.635 -11.700 7.657 1.00 33.34 H new ATOM 0 HB2 PHE A 62 -7.798 -14.497 7.649 1.00 30.33 H new ATOM 0 HB3 PHE A 62 -8.119 -13.396 6.324 1.00 30.33 H new ATOM 0 HD1 PHE A 62 -5.974 -12.272 5.276 1.00 21.15 H new ATOM 0 HD2 PHE A 62 -5.970 -15.912 7.475 1.00 43.23 H new ATOM 0 HE1 PHE A 62 -3.906 -12.952 4.152 1.00 22.01 H new ATOM 0 HE2 PHE A 62 -3.889 -16.582 6.370 1.00 54.53 H new ATOM 0 HZ PHE A 62 -2.862 -15.107 4.695 1.00 51.13 H new ATOM 874 N ARG A 63 -9.594 -12.532 8.896 1.00 11.33 N ATOM 875 CA ARG A 63 -10.964 -12.057 9.058 1.00 54.53 C ATOM 876 C ARG A 63 -11.046 -10.804 9.879 1.00 70.34 C ATOM 877 O ARG A 63 -11.894 -9.953 9.652 1.00 42.31 O ATOM 878 CB ARG A 63 -11.868 -13.125 9.619 1.00 22.11 C ATOM 879 CG ARG A 63 -12.113 -14.237 8.633 1.00 50.54 C ATOM 880 CD ARG A 63 -13.364 -14.964 8.979 1.00 40.32 C ATOM 881 NE ARG A 63 -13.740 -15.953 7.952 1.00 64.13 N ATOM 882 CZ ARG A 63 -14.894 -16.636 7.903 1.00 70.34 C ATOM 883 NH1 ARG A 63 -15.764 -16.572 8.918 1.00 4.21 N ATOM 884 NH2 ARG A 63 -15.157 -17.404 6.841 1.00 55.44 N ATOM 0 H ARG A 63 -9.403 -13.430 9.341 1.00 11.33 H new ATOM 0 HA ARG A 63 -11.317 -11.811 8.056 1.00 54.53 H new ATOM 0 HB2 ARG A 63 -11.423 -13.536 10.525 1.00 22.11 H new ATOM 0 HB3 ARG A 63 -12.820 -12.679 9.906 1.00 22.11 H new ATOM 0 HG2 ARG A 63 -12.188 -13.829 7.625 1.00 50.54 H new ATOM 0 HG3 ARG A 63 -11.270 -14.928 8.636 1.00 50.54 H new ATOM 0 HD2 ARG A 63 -13.235 -15.469 9.936 1.00 40.32 H new ATOM 0 HD3 ARG A 63 -14.175 -14.247 9.104 1.00 40.32 H new ATOM 0 HE ARG A 63 -13.062 -16.134 7.212 1.00 64.13 H new ATOM 0 HH11 ARG A 63 -15.552 -16.001 9.736 1.00 4.21 H new ATOM 0 HH12 ARG A 63 -16.639 -17.094 8.873 1.00 4.21 H new ATOM 0 HH21 ARG A 63 -14.483 -17.467 6.078 1.00 55.44 H new ATOM 0 HH22 ARG A 63 -16.031 -17.927 6.794 1.00 55.44 H new ATOM 898 N LYS A 64 -10.120 -10.668 10.782 1.00 13.43 N ATOM 899 CA LYS A 64 -10.028 -9.522 11.651 1.00 33.55 C ATOM 900 C LYS A 64 -9.311 -8.360 10.909 1.00 25.20 C ATOM 901 O LYS A 64 -9.108 -7.269 11.464 1.00 14.31 O ATOM 902 CB LYS A 64 -9.219 -9.925 12.860 1.00 73.14 C ATOM 903 CG LYS A 64 -9.166 -8.917 13.976 1.00 54.41 C ATOM 904 CD LYS A 64 -7.924 -9.127 14.808 1.00 45.24 C ATOM 905 CE LYS A 64 -6.657 -8.946 13.940 1.00 3.10 C ATOM 906 NZ LYS A 64 -6.709 -7.695 13.101 1.00 44.21 N ATOM 0 H LYS A 64 -9.390 -11.363 10.942 1.00 13.43 H new ATOM 0 HA LYS A 64 -11.022 -9.187 11.949 1.00 33.55 H new ATOM 0 HB2 LYS A 64 -9.628 -10.855 13.254 1.00 73.14 H new ATOM 0 HB3 LYS A 64 -8.199 -10.137 12.538 1.00 73.14 H new ATOM 0 HG2 LYS A 64 -9.171 -7.908 13.565 1.00 54.41 H new ATOM 0 HG3 LYS A 64 -10.053 -9.010 14.603 1.00 54.41 H new ATOM 0 HD2 LYS A 64 -7.909 -8.419 15.636 1.00 45.24 H new ATOM 0 HD3 LYS A 64 -7.935 -10.126 15.243 1.00 45.24 H new ATOM 0 HE2 LYS A 64 -5.780 -8.911 14.586 1.00 3.10 H new ATOM 0 HE3 LYS A 64 -6.539 -9.812 13.289 1.00 3.10 H new ATOM 0 HZ1 LYS A 64 -5.967 -7.734 12.373 1.00 44.21 H new ATOM 0 HZ2 LYS A 64 -7.640 -7.623 12.643 1.00 44.21 H new ATOM 0 HZ3 LYS A 64 -6.556 -6.864 13.707 1.00 44.21 H new ATOM 920 N ASN A 65 -8.837 -8.646 9.717 1.00 64.42 N ATOM 921 CA ASN A 65 -8.207 -7.654 8.845 1.00 11.03 C ATOM 922 C ASN A 65 -9.135 -7.331 7.679 1.00 35.41 C ATOM 923 O ASN A 65 -8.815 -6.524 6.818 1.00 11.13 O ATOM 924 CB ASN A 65 -6.818 -8.136 8.333 1.00 22.02 C ATOM 925 CG ASN A 65 -5.674 -7.969 9.350 1.00 74.33 C ATOM 926 OD1 ASN A 65 -5.886 -7.939 10.584 1.00 74.43 O ATOM 927 ND2 ASN A 65 -4.460 -7.898 8.864 1.00 71.32 N ATOM 0 H ASN A 65 -8.874 -9.582 9.312 1.00 64.42 H new ATOM 0 HA ASN A 65 -8.035 -6.748 9.426 1.00 11.03 H new ATOM 0 HB2 ASN A 65 -6.891 -9.188 8.056 1.00 22.02 H new ATOM 0 HB3 ASN A 65 -6.566 -7.584 7.427 1.00 22.02 H new ATOM 0 HD21 ASN A 65 -3.662 -7.816 9.494 1.00 71.32 H new ATOM 0 HD22 ASN A 65 -4.312 -7.924 7.855 1.00 71.32 H new ATOM 934 N GLY A 66 -10.299 -7.978 7.665 1.00 33.03 N ATOM 935 CA GLY A 66 -11.296 -7.701 6.649 1.00 41.22 C ATOM 936 C GLY A 66 -11.426 -8.794 5.602 1.00 50.32 C ATOM 937 O GLY A 66 -12.383 -8.795 4.821 1.00 2.10 O ATOM 0 H GLY A 66 -10.568 -8.691 8.343 1.00 33.03 H new ATOM 0 HA2 GLY A 66 -12.263 -7.557 7.132 1.00 41.22 H new ATOM 0 HA3 GLY A 66 -11.045 -6.764 6.153 1.00 41.22 H new ATOM 941 N TYR A 67 -10.505 -9.731 5.606 1.00 15.53 N ATOM 942 CA TYR A 67 -10.481 -10.804 4.613 1.00 2.54 C ATOM 943 C TYR A 67 -11.383 -11.930 5.066 1.00 44.20 C ATOM 944 O TYR A 67 -11.045 -12.680 5.991 1.00 13.11 O ATOM 945 CB TYR A 67 -9.050 -11.353 4.424 1.00 32.22 C ATOM 946 CG TYR A 67 -8.022 -10.344 3.959 1.00 71.43 C ATOM 947 CD1 TYR A 67 -7.542 -9.373 4.824 1.00 52.41 C ATOM 948 CD2 TYR A 67 -7.527 -10.367 2.658 1.00 12.11 C ATOM 949 CE1 TYR A 67 -6.613 -8.453 4.419 1.00 42.33 C ATOM 950 CE2 TYR A 67 -6.589 -9.441 2.240 1.00 33.45 C ATOM 951 CZ TYR A 67 -6.142 -8.484 3.137 1.00 21.10 C ATOM 952 OH TYR A 67 -5.231 -7.554 2.744 1.00 53.22 O ATOM 0 H TYR A 67 -9.750 -9.779 6.291 1.00 15.53 H new ATOM 0 HA TYR A 67 -10.829 -10.398 3.663 1.00 2.54 H new ATOM 0 HB2 TYR A 67 -8.715 -11.778 5.370 1.00 32.22 H new ATOM 0 HB3 TYR A 67 -9.085 -12.169 3.702 1.00 32.22 H new ATOM 0 HD1 TYR A 67 -7.909 -9.342 5.839 1.00 52.41 H new ATOM 0 HD2 TYR A 67 -7.880 -11.118 1.966 1.00 12.11 H new ATOM 0 HE1 TYR A 67 -6.254 -7.705 5.110 1.00 42.33 H new ATOM 0 HE2 TYR A 67 -6.210 -9.463 1.229 1.00 33.45 H new ATOM 0 HH TYR A 67 -4.473 -8.001 2.313 1.00 53.22 H new ATOM 962 N ARG A 68 -12.507 -12.071 4.443 1.00 1.40 N ATOM 963 CA ARG A 68 -13.448 -13.081 4.820 1.00 14.55 C ATOM 964 C ARG A 68 -13.202 -14.369 4.073 1.00 24.14 C ATOM 965 O ARG A 68 -14.018 -14.828 3.278 1.00 5.02 O ATOM 966 CB ARG A 68 -14.879 -12.577 4.699 1.00 54.43 C ATOM 967 CG ARG A 68 -15.266 -11.621 5.815 1.00 10.33 C ATOM 968 CD ARG A 68 -16.054 -10.437 5.298 1.00 44.55 C ATOM 969 NE ARG A 68 -15.206 -9.554 4.503 1.00 3.14 N ATOM 970 CZ ARG A 68 -15.622 -8.645 3.631 1.00 34.44 C ATOM 971 NH1 ARG A 68 -16.914 -8.481 3.362 1.00 14.13 N ATOM 972 NH2 ARG A 68 -14.745 -7.903 2.999 1.00 32.32 N ATOM 0 H ARG A 68 -12.801 -11.490 3.658 1.00 1.40 H new ATOM 0 HA ARG A 68 -13.297 -13.312 5.875 1.00 14.55 H new ATOM 0 HB2 ARG A 68 -15.002 -12.076 3.739 1.00 54.43 H new ATOM 0 HB3 ARG A 68 -15.560 -13.428 4.704 1.00 54.43 H new ATOM 0 HG2 ARG A 68 -15.858 -12.153 6.560 1.00 10.33 H new ATOM 0 HG3 ARG A 68 -14.366 -11.266 6.317 1.00 10.33 H new ATOM 0 HD2 ARG A 68 -16.890 -10.788 4.692 1.00 44.55 H new ATOM 0 HD3 ARG A 68 -16.478 -9.883 6.136 1.00 44.55 H new ATOM 0 HE ARG A 68 -14.198 -9.645 4.630 1.00 3.14 H new ATOM 0 HH11 ARG A 68 -17.610 -9.061 3.830 1.00 14.13 H new ATOM 0 HH12 ARG A 68 -17.209 -7.775 2.687 1.00 14.13 H new ATOM 0 HH21 ARG A 68 -13.749 -8.026 3.179 1.00 32.32 H new ATOM 0 HH22 ARG A 68 -15.059 -7.203 2.327 1.00 32.32 H new ATOM 986 N LEU A 69 -12.074 -14.969 4.386 1.00 14.13 N ATOM 987 CA LEU A 69 -11.650 -16.199 3.769 1.00 21.24 C ATOM 988 C LEU A 69 -12.217 -17.321 4.598 1.00 52.51 C ATOM 989 O LEU A 69 -12.528 -17.126 5.786 1.00 15.31 O ATOM 990 CB LEU A 69 -10.108 -16.320 3.824 1.00 14.44 C ATOM 991 CG LEU A 69 -9.269 -15.134 3.324 1.00 73.05 C ATOM 992 CD1 LEU A 69 -7.796 -15.400 3.549 1.00 24.42 C ATOM 993 CD2 LEU A 69 -9.506 -14.877 1.866 1.00 53.44 C ATOM 0 H LEU A 69 -11.422 -14.610 5.083 1.00 14.13 H new ATOM 0 HA LEU A 69 -11.983 -16.231 2.731 1.00 21.24 H new ATOM 0 HB2 LEU A 69 -9.826 -16.515 4.859 1.00 14.44 H new ATOM 0 HB3 LEU A 69 -9.822 -17.198 3.245 1.00 14.44 H new ATOM 0 HG LEU A 69 -9.574 -14.253 3.889 1.00 73.05 H new ATOM 0 HD11 LEU A 69 -7.214 -14.551 3.190 1.00 24.42 H new ATOM 0 HD12 LEU A 69 -7.611 -15.543 4.614 1.00 24.42 H new ATOM 0 HD13 LEU A 69 -7.501 -16.298 3.006 1.00 24.42 H new ATOM 0 HD21 LEU A 69 -8.898 -14.032 1.542 1.00 53.44 H new ATOM 0 HD22 LEU A 69 -9.233 -15.762 1.291 1.00 53.44 H new ATOM 0 HD23 LEU A 69 -10.560 -14.650 1.703 1.00 53.44 H new ATOM 1005 N THR A 70 -12.413 -18.445 4.021 1.00 32.40 N ATOM 1006 CA THR A 70 -12.847 -19.574 4.761 1.00 11.22 C ATOM 1007 C THR A 70 -11.614 -20.363 5.176 1.00 53.44 C ATOM 1008 O THR A 70 -10.631 -20.429 4.443 1.00 71.20 O ATOM 1009 CB THR A 70 -13.769 -20.458 3.916 1.00 13.04 C ATOM 1010 OG1 THR A 70 -14.672 -19.622 3.202 1.00 52.35 O ATOM 1011 CG2 THR A 70 -14.578 -21.402 4.802 1.00 51.42 C ATOM 0 H THR A 70 -12.278 -18.612 3.024 1.00 32.40 H new ATOM 0 HA THR A 70 -13.409 -19.247 5.636 1.00 11.22 H new ATOM 0 HB THR A 70 -13.160 -21.050 3.233 1.00 13.04 H new ATOM 0 HG1 THR A 70 -14.211 -19.223 2.435 1.00 52.35 H new ATOM 0 HG21 THR A 70 -15.225 -22.020 4.180 1.00 51.42 H new ATOM 0 HG22 THR A 70 -13.900 -22.042 5.367 1.00 51.42 H new ATOM 0 HG23 THR A 70 -15.187 -20.820 5.493 1.00 51.42 H new ATOM 1019 N LEU A 71 -11.673 -20.965 6.332 1.00 13.41 N ATOM 1020 CA LEU A 71 -10.545 -21.719 6.873 1.00 73.34 C ATOM 1021 C LEU A 71 -10.271 -22.933 6.010 1.00 0.31 C ATOM 1022 O LEU A 71 -9.144 -23.373 5.860 1.00 42.14 O ATOM 1023 CB LEU A 71 -10.874 -22.174 8.281 1.00 73.25 C ATOM 1024 CG LEU A 71 -9.756 -22.852 9.042 1.00 3.11 C ATOM 1025 CD1 LEU A 71 -8.601 -21.915 9.278 1.00 30.50 C ATOM 1026 CD2 LEU A 71 -10.262 -23.380 10.340 1.00 71.41 C ATOM 0 H LEU A 71 -12.496 -20.955 6.934 1.00 13.41 H new ATOM 0 HA LEU A 71 -9.662 -21.080 6.885 1.00 73.34 H new ATOM 0 HB2 LEU A 71 -11.201 -21.306 8.854 1.00 73.25 H new ATOM 0 HB3 LEU A 71 -11.719 -22.860 8.231 1.00 73.25 H new ATOM 0 HG LEU A 71 -9.395 -23.681 8.434 1.00 3.11 H new ATOM 0 HD11 LEU A 71 -7.816 -22.436 9.827 1.00 30.50 H new ATOM 0 HD12 LEU A 71 -8.208 -21.573 8.320 1.00 30.50 H new ATOM 0 HD13 LEU A 71 -8.941 -21.057 9.858 1.00 30.50 H new ATOM 0 HD21 LEU A 71 -9.448 -23.865 10.878 1.00 71.41 H new ATOM 0 HD22 LEU A 71 -10.653 -22.558 10.939 1.00 71.41 H new ATOM 0 HD23 LEU A 71 -11.056 -24.103 10.154 1.00 71.41 H new ATOM 1038 N ARG A 72 -11.324 -23.425 5.412 1.00 12.34 N ATOM 1039 CA ARG A 72 -11.269 -24.602 4.586 1.00 20.12 C ATOM 1040 C ARG A 72 -10.546 -24.298 3.275 1.00 42.11 C ATOM 1041 O ARG A 72 -9.981 -25.184 2.663 1.00 53.54 O ATOM 1042 CB ARG A 72 -12.681 -25.112 4.354 1.00 10.34 C ATOM 1043 CG ARG A 72 -13.427 -25.336 5.664 1.00 40.40 C ATOM 1044 CD ARG A 72 -14.863 -25.765 5.461 1.00 53.11 C ATOM 1045 NE ARG A 72 -15.592 -25.791 6.744 1.00 51.20 N ATOM 1046 CZ ARG A 72 -16.846 -26.230 6.922 1.00 24.31 C ATOM 1047 NH1 ARG A 72 -17.540 -26.731 5.892 1.00 3.10 N ATOM 1048 NH2 ARG A 72 -17.401 -26.164 8.136 1.00 41.21 N ATOM 0 H ARG A 72 -12.255 -23.015 5.486 1.00 12.34 H new ATOM 0 HA ARG A 72 -10.701 -25.385 5.088 1.00 20.12 H new ATOM 0 HB2 ARG A 72 -13.229 -24.396 3.742 1.00 10.34 H new ATOM 0 HB3 ARG A 72 -12.642 -26.046 3.794 1.00 10.34 H new ATOM 0 HG2 ARG A 72 -12.906 -26.095 6.247 1.00 40.40 H new ATOM 0 HG3 ARG A 72 -13.408 -24.416 6.249 1.00 40.40 H new ATOM 0 HD2 ARG A 72 -15.357 -25.081 4.771 1.00 53.11 H new ATOM 0 HD3 ARG A 72 -14.890 -26.754 5.003 1.00 53.11 H new ATOM 0 HE ARG A 72 -15.099 -25.445 7.567 1.00 51.20 H new ATOM 0 HH11 ARG A 72 -17.115 -26.780 4.966 1.00 3.10 H new ATOM 0 HH12 ARG A 72 -18.494 -27.064 6.033 1.00 3.10 H new ATOM 0 HH21 ARG A 72 -16.871 -25.782 8.919 1.00 41.21 H new ATOM 0 HH22 ARG A 72 -18.355 -26.496 8.279 1.00 41.21 H new ATOM 1062 N GLU A 73 -10.544 -23.018 2.882 1.00 44.13 N ATOM 1063 CA GLU A 73 -9.807 -22.572 1.707 1.00 44.43 C ATOM 1064 C GLU A 73 -8.321 -22.648 2.020 1.00 15.21 C ATOM 1065 O GLU A 73 -7.525 -23.151 1.229 1.00 12.53 O ATOM 1066 CB GLU A 73 -10.179 -21.115 1.336 1.00 2.42 C ATOM 1067 CG GLU A 73 -11.602 -20.915 0.818 1.00 44.43 C ATOM 1068 CD GLU A 73 -11.963 -19.443 0.615 1.00 45.12 C ATOM 1069 OE1 GLU A 73 -11.478 -18.830 -0.338 1.00 20.44 O ATOM 1070 OE2 GLU A 73 -12.750 -18.882 1.427 1.00 62.52 O ATOM 0 H GLU A 73 -11.048 -22.276 3.367 1.00 44.13 H new ATOM 0 HA GLU A 73 -10.060 -23.212 0.861 1.00 44.43 H new ATOM 0 HB2 GLU A 73 -10.039 -20.487 2.216 1.00 2.42 H new ATOM 0 HB3 GLU A 73 -9.481 -20.761 0.577 1.00 2.42 H new ATOM 0 HG2 GLU A 73 -11.716 -21.445 -0.128 1.00 44.43 H new ATOM 0 HG3 GLU A 73 -12.305 -21.362 1.521 1.00 44.43 H new ATOM 1077 N LEU A 74 -7.971 -22.205 3.225 1.00 55.23 N ATOM 1078 CA LEU A 74 -6.584 -22.162 3.642 1.00 74.35 C ATOM 1079 C LEU A 74 -6.037 -23.559 3.884 1.00 33.02 C ATOM 1080 O LEU A 74 -4.879 -23.809 3.645 1.00 53.32 O ATOM 1081 CB LEU A 74 -6.377 -21.341 4.918 1.00 40.02 C ATOM 1082 CG LEU A 74 -6.900 -19.910 4.955 1.00 20.14 C ATOM 1083 CD1 LEU A 74 -6.286 -19.166 6.112 1.00 11.40 C ATOM 1084 CD2 LEU A 74 -6.632 -19.180 3.677 1.00 73.45 C ATOM 0 H LEU A 74 -8.634 -21.872 3.925 1.00 55.23 H new ATOM 0 HA LEU A 74 -6.047 -21.682 2.823 1.00 74.35 H new ATOM 0 HB2 LEU A 74 -6.841 -21.885 5.741 1.00 40.02 H new ATOM 0 HB3 LEU A 74 -5.307 -21.308 5.121 1.00 40.02 H new ATOM 0 HG LEU A 74 -7.981 -19.960 5.083 1.00 20.14 H new ATOM 0 HD11 LEU A 74 -6.666 -18.144 6.130 1.00 11.40 H new ATOM 0 HD12 LEU A 74 -6.545 -19.666 7.045 1.00 11.40 H new ATOM 0 HD13 LEU A 74 -5.202 -19.148 5.999 1.00 11.40 H new ATOM 0 HD21 LEU A 74 -7.022 -18.165 3.749 1.00 73.45 H new ATOM 0 HD22 LEU A 74 -5.558 -19.144 3.497 1.00 73.45 H new ATOM 0 HD23 LEU A 74 -7.121 -19.699 2.852 1.00 73.45 H new ATOM 1096 N TYR A 75 -6.875 -24.456 4.399 1.00 63.53 N ATOM 1097 CA TYR A 75 -6.448 -25.837 4.637 1.00 65.43 C ATOM 1098 C TYR A 75 -6.274 -26.608 3.362 1.00 40.21 C ATOM 1099 O TYR A 75 -5.500 -27.560 3.314 1.00 24.21 O ATOM 1100 CB TYR A 75 -7.375 -26.609 5.591 1.00 22.43 C ATOM 1101 CG TYR A 75 -7.205 -26.293 7.002 1.00 11.34 C ATOM 1102 CD1 TYR A 75 -5.957 -26.279 7.574 1.00 1.42 C ATOM 1103 CD2 TYR A 75 -8.292 -26.022 7.771 1.00 72.12 C ATOM 1104 CE1 TYR A 75 -5.802 -25.994 8.903 1.00 55.03 C ATOM 1105 CE2 TYR A 75 -8.160 -25.741 9.088 1.00 15.34 C ATOM 1106 CZ TYR A 75 -6.918 -25.725 9.658 1.00 5.41 C ATOM 1107 OH TYR A 75 -6.795 -25.427 10.972 1.00 71.33 O ATOM 0 H TYR A 75 -7.842 -24.258 4.657 1.00 63.53 H new ATOM 0 HA TYR A 75 -5.478 -25.746 5.126 1.00 65.43 H new ATOM 0 HB2 TYR A 75 -8.409 -26.408 5.311 1.00 22.43 H new ATOM 0 HB3 TYR A 75 -7.209 -27.677 5.450 1.00 22.43 H new ATOM 0 HD1 TYR A 75 -5.089 -26.495 6.969 1.00 1.42 H new ATOM 0 HD2 TYR A 75 -9.275 -26.031 7.325 1.00 72.12 H new ATOM 0 HE1 TYR A 75 -4.819 -25.981 9.351 1.00 55.03 H new ATOM 0 HE2 TYR A 75 -9.034 -25.530 9.687 1.00 15.34 H new ATOM 0 HH TYR A 75 -7.682 -25.263 11.355 1.00 71.33 H new ATOM 1117 N ALA A 76 -6.984 -26.209 2.334 1.00 25.34 N ATOM 1118 CA ALA A 76 -6.898 -26.898 1.080 1.00 31.12 C ATOM 1119 C ALA A 76 -5.577 -26.573 0.389 1.00 70.12 C ATOM 1120 O ALA A 76 -4.956 -27.432 -0.236 1.00 34.03 O ATOM 1121 CB ALA A 76 -8.086 -26.574 0.191 1.00 14.34 C ATOM 0 H ALA A 76 -7.623 -25.414 2.346 1.00 25.34 H new ATOM 0 HA ALA A 76 -6.926 -27.970 1.273 1.00 31.12 H new ATOM 0 HB1 ALA A 76 -7.992 -27.112 -0.753 1.00 14.34 H new ATOM 0 HB2 ALA A 76 -9.007 -26.876 0.690 1.00 14.34 H new ATOM 0 HB3 ALA A 76 -8.113 -25.502 -0.004 1.00 14.34 H new ATOM 1127 N ALA A 77 -5.152 -25.337 0.519 1.00 54.42 N ATOM 1128 CA ALA A 77 -3.888 -24.909 -0.022 1.00 13.50 C ATOM 1129 C ALA A 77 -3.189 -24.001 0.975 1.00 12.01 C ATOM 1130 O ALA A 77 -3.375 -22.782 0.953 1.00 72.43 O ATOM 1131 CB ALA A 77 -4.066 -24.209 -1.366 1.00 71.05 C ATOM 0 H ALA A 77 -5.673 -24.604 1.001 1.00 54.42 H new ATOM 0 HA ALA A 77 -3.269 -25.789 -0.197 1.00 13.50 H new ATOM 0 HB1 ALA A 77 -3.093 -23.899 -1.746 1.00 71.05 H new ATOM 0 HB2 ALA A 77 -4.531 -24.895 -2.075 1.00 71.05 H new ATOM 0 HB3 ALA A 77 -4.702 -23.333 -1.239 1.00 71.05 H new ATOM 1137 N PRO A 78 -2.455 -24.571 1.943 1.00 20.54 N ATOM 1138 CA PRO A 78 -1.745 -23.781 2.904 1.00 63.35 C ATOM 1139 C PRO A 78 -0.340 -23.478 2.432 1.00 33.34 C ATOM 1140 O PRO A 78 0.634 -24.198 2.771 1.00 24.14 O ATOM 1141 CB PRO A 78 -1.710 -24.678 4.153 1.00 63.22 C ATOM 1142 CG PRO A 78 -2.155 -26.048 3.697 1.00 1.14 C ATOM 1143 CD PRO A 78 -2.307 -25.994 2.198 1.00 14.30 C ATOM 0 HA PRO A 78 -2.217 -22.814 3.081 1.00 63.35 H new ATOM 0 HB2 PRO A 78 -0.707 -24.715 4.578 1.00 63.22 H new ATOM 0 HB3 PRO A 78 -2.371 -24.292 4.929 1.00 63.22 H new ATOM 0 HG2 PRO A 78 -1.424 -26.804 3.982 1.00 1.14 H new ATOM 0 HG3 PRO A 78 -3.098 -26.323 4.169 1.00 1.14 H new ATOM 0 HD2 PRO A 78 -1.438 -26.409 1.688 1.00 14.30 H new ATOM 0 HD3 PRO A 78 -3.175 -26.559 1.858 1.00 14.30 H new ATOM 1151 N THR A 79 -0.240 -22.425 1.671 1.00 72.31 N ATOM 1152 CA THR A 79 0.983 -21.944 1.108 1.00 50.41 C ATOM 1153 C THR A 79 0.872 -20.432 1.025 1.00 70.32 C ATOM 1154 O THR A 79 -0.243 -19.893 1.006 1.00 31.32 O ATOM 1155 CB THR A 79 1.238 -22.548 -0.305 1.00 2.40 C ATOM 1156 OG1 THR A 79 0.105 -22.358 -1.154 1.00 35.10 O ATOM 1157 CG2 THR A 79 1.567 -24.029 -0.242 1.00 52.33 C ATOM 0 H THR A 79 -1.047 -21.855 1.417 1.00 72.31 H new ATOM 0 HA THR A 79 1.825 -22.243 1.733 1.00 50.41 H new ATOM 0 HB THR A 79 2.098 -22.020 -0.717 1.00 2.40 H new ATOM 0 HG1 THR A 79 0.402 -22.286 -2.085 1.00 35.10 H new ATOM 0 HG21 THR A 79 1.737 -24.407 -1.250 1.00 52.33 H new ATOM 0 HG22 THR A 79 2.465 -24.177 0.357 1.00 52.33 H new ATOM 0 HG23 THR A 79 0.735 -24.568 0.212 1.00 52.33 H new ATOM 1165 N LEU A 80 1.975 -19.752 0.977 1.00 32.22 N ATOM 1166 CA LEU A 80 1.972 -18.319 1.023 1.00 43.23 C ATOM 1167 C LEU A 80 1.507 -17.651 -0.263 1.00 4.10 C ATOM 1168 O LEU A 80 0.708 -16.723 -0.202 1.00 11.12 O ATOM 1169 CB LEU A 80 3.308 -17.777 1.537 1.00 72.35 C ATOM 1170 CG LEU A 80 3.359 -17.464 3.036 1.00 54.43 C ATOM 1171 CD1 LEU A 80 4.778 -17.327 3.526 1.00 43.32 C ATOM 1172 CD2 LEU A 80 2.664 -16.170 3.282 1.00 54.04 C ATOM 0 H LEU A 80 2.902 -20.171 0.905 1.00 32.22 H new ATOM 0 HA LEU A 80 1.208 -18.042 1.749 1.00 43.23 H new ATOM 0 HB2 LEU A 80 4.087 -18.504 1.308 1.00 72.35 H new ATOM 0 HB3 LEU A 80 3.548 -16.868 0.985 1.00 72.35 H new ATOM 0 HG LEU A 80 2.879 -18.286 3.567 1.00 54.43 H new ATOM 0 HD11 LEU A 80 4.775 -17.105 4.593 1.00 43.32 H new ATOM 0 HD12 LEU A 80 5.315 -18.259 3.351 1.00 43.32 H new ATOM 0 HD13 LEU A 80 5.272 -16.517 2.989 1.00 43.32 H new ATOM 0 HD21 LEU A 80 2.694 -15.937 4.346 1.00 54.04 H new ATOM 0 HD22 LEU A 80 3.162 -15.378 2.723 1.00 54.04 H new ATOM 0 HD23 LEU A 80 1.626 -16.247 2.957 1.00 54.04 H new ATOM 1184 N ALA A 81 1.905 -18.152 -1.417 1.00 62.33 N ATOM 1185 CA ALA A 81 1.544 -17.492 -2.663 1.00 14.22 C ATOM 1186 C ALA A 81 0.079 -17.725 -2.988 1.00 73.43 C ATOM 1187 O ALA A 81 -0.581 -16.848 -3.573 1.00 1.20 O ATOM 1188 CB ALA A 81 2.443 -17.904 -3.823 1.00 52.31 C ATOM 0 H ALA A 81 2.467 -18.997 -1.521 1.00 62.33 H new ATOM 0 HA ALA A 81 1.699 -16.423 -2.518 1.00 14.22 H new ATOM 0 HB1 ALA A 81 2.131 -17.383 -4.728 1.00 52.31 H new ATOM 0 HB2 ALA A 81 3.476 -17.644 -3.593 1.00 52.31 H new ATOM 0 HB3 ALA A 81 2.366 -18.980 -3.979 1.00 52.31 H new ATOM 1194 N ALA A 82 -0.445 -18.887 -2.597 1.00 64.01 N ATOM 1195 CA ALA A 82 -1.866 -19.149 -2.771 1.00 14.01 C ATOM 1196 C ALA A 82 -2.661 -18.232 -1.880 1.00 43.43 C ATOM 1197 O ALA A 82 -3.632 -17.633 -2.320 1.00 73.54 O ATOM 1198 CB ALA A 82 -2.239 -20.581 -2.485 1.00 25.11 C ATOM 0 H ALA A 82 0.084 -19.645 -2.167 1.00 64.01 H new ATOM 0 HA ALA A 82 -2.100 -18.962 -3.819 1.00 14.01 H new ATOM 0 HB1 ALA A 82 -3.311 -20.714 -2.632 1.00 25.11 H new ATOM 0 HB2 ALA A 82 -1.695 -21.241 -3.161 1.00 25.11 H new ATOM 0 HB3 ALA A 82 -1.981 -20.825 -1.455 1.00 25.11 H new ATOM 1204 N TRP A 83 -2.232 -18.094 -0.627 1.00 22.41 N ATOM 1205 CA TRP A 83 -2.890 -17.183 0.301 1.00 52.45 C ATOM 1206 C TRP A 83 -2.817 -15.771 -0.214 1.00 10.54 C ATOM 1207 O TRP A 83 -3.790 -15.059 -0.181 1.00 65.11 O ATOM 1208 CB TRP A 83 -2.311 -17.270 1.699 1.00 44.42 C ATOM 1209 CG TRP A 83 -2.661 -18.522 2.446 1.00 55.41 C ATOM 1210 CD1 TRP A 83 -3.256 -19.654 1.970 1.00 44.35 C ATOM 1211 CD2 TRP A 83 -2.438 -18.743 3.814 1.00 33.31 C ATOM 1212 NE1 TRP A 83 -3.382 -20.573 2.965 1.00 21.34 N ATOM 1213 CE2 TRP A 83 -2.899 -20.027 4.120 1.00 20.51 C ATOM 1214 CE3 TRP A 83 -1.885 -17.970 4.804 1.00 23.34 C ATOM 1215 CZ2 TRP A 83 -2.822 -20.548 5.392 1.00 54.31 C ATOM 1216 CZ3 TRP A 83 -1.803 -18.479 6.081 1.00 43.30 C ATOM 1217 CH2 TRP A 83 -2.273 -19.761 6.368 1.00 53.43 C ATOM 0 H TRP A 83 -1.437 -18.599 -0.235 1.00 22.41 H new ATOM 0 HA TRP A 83 -3.935 -17.486 0.368 1.00 52.45 H new ATOM 0 HB2 TRP A 83 -1.226 -17.194 1.633 1.00 44.42 H new ATOM 0 HB3 TRP A 83 -2.656 -16.411 2.275 1.00 44.42 H new ATOM 0 HD1 TRP A 83 -3.580 -19.799 0.950 1.00 44.35 H new ATOM 0 HE1 TRP A 83 -3.771 -21.511 2.865 1.00 21.34 H new ATOM 0 HE3 TRP A 83 -1.520 -16.978 4.585 1.00 23.34 H new ATOM 0 HZ2 TRP A 83 -3.182 -21.542 5.612 1.00 54.31 H new ATOM 0 HZ3 TRP A 83 -1.370 -17.880 6.868 1.00 43.30 H new ATOM 0 HH2 TRP A 83 -2.202 -20.139 7.377 1.00 53.43 H new ATOM 1228 N ASN A 84 -1.650 -15.394 -0.698 1.00 5.11 N ATOM 1229 CA ASN A 84 -1.434 -14.101 -1.381 1.00 5.23 C ATOM 1230 C ASN A 84 -2.484 -13.880 -2.477 1.00 60.02 C ATOM 1231 O ASN A 84 -3.104 -12.811 -2.560 1.00 14.31 O ATOM 1232 CB ASN A 84 -0.024 -14.057 -1.993 1.00 51.20 C ATOM 1233 CG ASN A 84 0.258 -12.808 -2.808 1.00 0.04 C ATOM 1234 OD1 ASN A 84 0.673 -11.793 -2.282 1.00 25.23 O ATOM 1235 ND2 ASN A 84 0.080 -12.895 -4.105 1.00 45.12 N ATOM 0 H ASN A 84 -0.810 -15.969 -0.636 1.00 5.11 H new ATOM 0 HA ASN A 84 -1.532 -13.305 -0.643 1.00 5.23 H new ATOM 0 HB2 ASN A 84 0.711 -14.129 -1.191 1.00 51.20 H new ATOM 0 HB3 ASN A 84 0.112 -14.932 -2.629 1.00 51.20 H new ATOM 0 HD21 ASN A 84 0.291 -12.097 -4.703 1.00 45.12 H new ATOM 0 HD22 ASN A 84 -0.270 -13.761 -4.515 1.00 45.12 H new ATOM 1242 N GLN A 85 -2.701 -14.906 -3.291 1.00 4.21 N ATOM 1243 CA GLN A 85 -3.703 -14.867 -4.349 1.00 41.12 C ATOM 1244 C GLN A 85 -5.097 -14.695 -3.731 1.00 50.52 C ATOM 1245 O GLN A 85 -5.875 -13.844 -4.157 1.00 44.44 O ATOM 1246 CB GLN A 85 -3.650 -16.158 -5.181 1.00 2.54 C ATOM 1247 CG GLN A 85 -4.664 -16.207 -6.316 1.00 15.23 C ATOM 1248 CD GLN A 85 -4.637 -17.515 -7.077 1.00 73.34 C ATOM 1249 OE1 GLN A 85 -4.325 -18.559 -6.532 1.00 45.20 O ATOM 1250 NE2 GLN A 85 -4.965 -17.466 -8.341 1.00 0.42 N ATOM 0 H GLN A 85 -2.189 -15.786 -3.237 1.00 4.21 H new ATOM 0 HA GLN A 85 -3.494 -14.023 -5.006 1.00 41.12 H new ATOM 0 HB2 GLN A 85 -2.649 -16.269 -5.597 1.00 2.54 H new ATOM 0 HB3 GLN A 85 -3.817 -17.010 -4.522 1.00 2.54 H new ATOM 0 HG2 GLN A 85 -5.663 -16.050 -5.910 1.00 15.23 H new ATOM 0 HG3 GLN A 85 -4.468 -15.387 -7.007 1.00 15.23 H new ATOM 0 HE21 GLN A 85 -5.221 -16.575 -8.767 1.00 0.42 H new ATOM 0 HE22 GLN A 85 -4.965 -18.318 -8.901 1.00 0.42 H new ATOM 1259 N LEU A 86 -5.369 -15.473 -2.693 1.00 13.52 N ATOM 1260 CA LEU A 86 -6.639 -15.437 -1.965 1.00 2.34 C ATOM 1261 C LEU A 86 -6.879 -14.063 -1.317 1.00 73.30 C ATOM 1262 O LEU A 86 -8.002 -13.701 -1.030 1.00 52.43 O ATOM 1263 CB LEU A 86 -6.654 -16.516 -0.867 1.00 20.31 C ATOM 1264 CG LEU A 86 -6.468 -17.971 -1.326 1.00 5.34 C ATOM 1265 CD1 LEU A 86 -6.410 -18.888 -0.141 1.00 65.23 C ATOM 1266 CD2 LEU A 86 -7.589 -18.418 -2.236 1.00 21.03 C ATOM 0 H LEU A 86 -4.708 -16.157 -2.324 1.00 13.52 H new ATOM 0 HA LEU A 86 -7.433 -15.627 -2.687 1.00 2.34 H new ATOM 0 HB2 LEU A 86 -5.867 -16.282 -0.150 1.00 20.31 H new ATOM 0 HB3 LEU A 86 -7.602 -16.446 -0.334 1.00 20.31 H new ATOM 0 HG LEU A 86 -5.530 -18.016 -1.880 1.00 5.34 H new ATOM 0 HD11 LEU A 86 -6.278 -19.915 -0.482 1.00 65.23 H new ATOM 0 HD12 LEU A 86 -5.572 -18.607 0.496 1.00 65.23 H new ATOM 0 HD13 LEU A 86 -7.338 -18.810 0.425 1.00 65.23 H new ATOM 0 HD21 LEU A 86 -7.421 -19.452 -2.539 1.00 21.03 H new ATOM 0 HD22 LEU A 86 -8.539 -18.345 -1.706 1.00 21.03 H new ATOM 0 HD23 LEU A 86 -7.616 -17.781 -3.120 1.00 21.03 H new ATOM 1278 N MET A 87 -5.804 -13.324 -1.083 1.00 42.20 N ATOM 1279 CA MET A 87 -5.858 -12.027 -0.433 1.00 72.13 C ATOM 1280 C MET A 87 -6.157 -10.971 -1.438 1.00 31.13 C ATOM 1281 O MET A 87 -7.106 -10.207 -1.335 1.00 61.11 O ATOM 1282 CB MET A 87 -4.511 -11.698 0.250 1.00 34.14 C ATOM 1283 CG MET A 87 -4.198 -12.543 1.471 1.00 45.43 C ATOM 1284 SD MET A 87 -2.635 -12.100 2.261 1.00 21.14 S ATOM 1285 CE MET A 87 -3.023 -10.475 2.908 1.00 30.24 C ATOM 0 H MET A 87 -4.861 -13.613 -1.343 1.00 42.20 H new ATOM 0 HA MET A 87 -6.643 -12.059 0.323 1.00 72.13 H new ATOM 0 HB2 MET A 87 -3.709 -11.824 -0.478 1.00 34.14 H new ATOM 0 HB3 MET A 87 -4.514 -10.648 0.542 1.00 34.14 H new ATOM 0 HG2 MET A 87 -5.006 -12.438 2.195 1.00 45.43 H new ATOM 0 HG3 MET A 87 -4.166 -13.593 1.180 1.00 45.43 H new ATOM 0 HE1 MET A 87 -2.309 -10.214 3.689 1.00 30.24 H new ATOM 0 HE2 MET A 87 -2.966 -9.740 2.105 1.00 30.24 H new ATOM 0 HE3 MET A 87 -4.030 -10.480 3.325 1.00 30.24 H new ATOM 1295 N LEU A 88 -5.330 -10.967 -2.421 1.00 74.01 N ATOM 1296 CA LEU A 88 -5.290 -9.985 -3.402 1.00 33.52 C ATOM 1297 C LEU A 88 -6.366 -10.148 -4.480 1.00 24.21 C ATOM 1298 O LEU A 88 -7.152 -9.230 -4.703 1.00 62.14 O ATOM 1299 CB LEU A 88 -3.886 -10.002 -3.975 1.00 4.03 C ATOM 1300 CG LEU A 88 -3.750 -9.363 -5.289 1.00 52.32 C ATOM 1301 CD1 LEU A 88 -3.962 -7.868 -5.193 1.00 63.22 C ATOM 1302 CD2 LEU A 88 -2.456 -9.693 -5.964 1.00 63.30 C ATOM 0 H LEU A 88 -4.631 -11.697 -2.555 1.00 74.01 H new ATOM 0 HA LEU A 88 -5.519 -9.015 -2.961 1.00 33.52 H new ATOM 0 HB2 LEU A 88 -3.216 -9.504 -3.274 1.00 4.03 H new ATOM 0 HB3 LEU A 88 -3.553 -11.037 -4.054 1.00 4.03 H new ATOM 0 HG LEU A 88 -4.536 -9.776 -5.921 1.00 52.32 H new ATOM 0 HD11 LEU A 88 -3.855 -7.421 -6.181 1.00 63.22 H new ATOM 0 HD12 LEU A 88 -4.962 -7.666 -4.810 1.00 63.22 H new ATOM 0 HD13 LEU A 88 -3.221 -7.438 -4.519 1.00 63.22 H new ATOM 0 HD21 LEU A 88 -2.412 -9.192 -6.931 1.00 63.30 H new ATOM 0 HD22 LEU A 88 -1.626 -9.356 -5.343 1.00 63.30 H new ATOM 0 HD23 LEU A 88 -2.386 -10.771 -6.110 1.00 63.30 H new ATOM 1314 N SER A 89 -6.417 -11.298 -5.119 1.00 31.32 N ATOM 1315 CA SER A 89 -7.315 -11.508 -6.239 1.00 63.14 C ATOM 1316 C SER A 89 -8.777 -11.541 -5.801 1.00 73.25 C ATOM 1317 O SER A 89 -9.674 -11.334 -6.612 1.00 35.02 O ATOM 1318 CB SER A 89 -6.927 -12.786 -6.979 1.00 73.20 C ATOM 1319 OG SER A 89 -5.559 -12.728 -7.378 1.00 20.51 O ATOM 0 H SER A 89 -5.844 -12.107 -4.881 1.00 31.32 H new ATOM 0 HA SER A 89 -7.215 -10.662 -6.919 1.00 63.14 H new ATOM 0 HB2 SER A 89 -7.089 -13.651 -6.336 1.00 73.20 H new ATOM 0 HB3 SER A 89 -7.564 -12.916 -7.854 1.00 73.20 H new ATOM 0 HG SER A 89 -5.321 -13.553 -7.850 1.00 20.51 H new