USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 759 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 45 MET CE :methyl -162:sc= -0.103 (180deg=-0.724) USER MOD Set 1.2: A 53 HIS : no HD1:sc= 0.575 K(o=0.47,f=-3.3!) USER MOD Set 2.1: A 25 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 26 GLN : amide:sc= -0.0272 X(o=-0.027,f=-0.027) USER MOD Set 3.1: A 21 GLN : amide:sc= 0 K(o=-0.74,f=-1.4) USER MOD Set 3.2: A 32 GLN : amide:sc= 0 K(o=-0.74,f=-1.4) USER MOD Set 3.3: A 34 MET CE :methyl 146:sc= -0.736 (180deg=-2.55!) USER MOD Set 3.4: A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot -151:sc= -0.796 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.158 F(o=-0.95,f=-0.16) USER MOD Single : A 13 LYS NZ :NH3+ 168:sc= -0.0316 (180deg=-0.202) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 46:sc= 0.198 USER MOD Single : A 18 TYR OH : rot 150:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -135:sc= -0.0717 (180deg=-0.458) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN :FLIP amide:sc= -1.16 F(o=-1.8,f=-1.2) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0.507 K(o=0.51,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 12:sc= 0.102 USER MOD Single : A 51 GLN : amide:sc= -0.167 K(o=-0.17,f=-2.5!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc=-0.00119 K(o=-0.0012,f=-4!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 82:sc= 1.3 USER MOD Single : A 75 THR OG1 : rot 80:sc= 1.25 USER MOD Single : A 76 GLN :FLIP amide:sc= -0.45 F(o=-1.3,f=-0.45) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.205 USER MOD Single : A 78 LYS NZ :NH3+ 174:sc= 0.365 (180deg=0.328) USER MOD Single : A 85 LYS NZ :NH3+ -135:sc= 0.744 (180deg=-0.0624) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -10.758 -2.236 -1.591 1.00 63.21 N ATOM 21 CA THR A 2 -10.619 -3.430 -2.444 1.00 73.54 C ATOM 22 C THR A 2 -9.247 -3.368 -3.135 1.00 54.32 C ATOM 23 O THR A 2 -8.596 -2.310 -3.126 1.00 43.52 O ATOM 24 CB THR A 2 -11.750 -3.497 -3.525 1.00 41.52 C ATOM 25 OG1 THR A 2 -11.669 -2.353 -4.386 1.00 42.33 O ATOM 26 CG2 THR A 2 -13.155 -3.562 -2.903 1.00 63.23 C ATOM 0 HA THR A 2 -10.703 -4.323 -1.824 1.00 73.54 H new ATOM 0 HB THR A 2 -11.595 -4.414 -4.093 1.00 41.52 H new ATOM 0 HG1 THR A 2 -12.562 -2.137 -4.728 1.00 42.33 H new ATOM 0 HG21 THR A 2 -13.902 -3.607 -3.695 1.00 63.23 H new ATOM 0 HG22 THR A 2 -13.235 -4.451 -2.278 1.00 63.23 H new ATOM 0 HG23 THR A 2 -13.325 -2.674 -2.294 1.00 63.23 H new ATOM 34 N GLY A 3 -8.795 -4.504 -3.702 1.00 45.13 N ATOM 35 CA GLY A 3 -7.567 -4.545 -4.506 1.00 14.30 C ATOM 36 C GLY A 3 -7.626 -3.625 -5.717 1.00 64.31 C ATOM 37 O GLY A 3 -6.594 -3.099 -6.170 1.00 60.03 O ATOM 0 H GLY A 3 -9.266 -5.405 -3.615 1.00 45.13 H new ATOM 0 HA2 GLY A 3 -6.719 -4.263 -3.882 1.00 14.30 H new ATOM 0 HA3 GLY A 3 -7.390 -5.567 -4.840 1.00 14.30 H new ATOM 41 N GLN A 4 -8.857 -3.454 -6.239 1.00 61.03 N ATOM 42 CA GLN A 4 -9.169 -2.489 -7.295 1.00 63.33 C ATOM 43 C GLN A 4 -8.829 -1.059 -6.838 1.00 4.04 C ATOM 44 O GLN A 4 -8.029 -0.393 -7.482 1.00 44.22 O ATOM 45 CB GLN A 4 -10.670 -2.590 -7.698 1.00 15.33 C ATOM 46 CG GLN A 4 -11.149 -1.472 -8.648 1.00 71.33 C ATOM 47 CD GLN A 4 -12.611 -1.594 -9.088 1.00 2.14 C ATOM 48 OE1 GLN A 4 -13.159 -2.690 -9.192 1.00 2.03 O ATOM 49 NE2 GLN A 4 -13.249 -0.468 -9.360 1.00 53.30 N ATOM 0 H GLN A 4 -9.667 -3.992 -5.931 1.00 61.03 H new ATOM 0 HA GLN A 4 -8.560 -2.725 -8.168 1.00 63.33 H new ATOM 0 HB2 GLN A 4 -10.842 -3.555 -8.175 1.00 15.33 H new ATOM 0 HB3 GLN A 4 -11.279 -2.569 -6.794 1.00 15.33 H new ATOM 0 HG2 GLN A 4 -11.010 -0.510 -8.155 1.00 71.33 H new ATOM 0 HG3 GLN A 4 -10.515 -1.470 -9.535 1.00 71.33 H new ATOM 0 HE21 GLN A 4 -12.768 0.426 -9.265 1.00 53.30 H new ATOM 0 HE22 GLN A 4 -14.222 -0.494 -9.665 1.00 53.30 H new ATOM 58 N GLU A 5 -9.416 -0.636 -5.693 1.00 11.51 N ATOM 59 CA GLU A 5 -9.268 0.738 -5.151 1.00 21.34 C ATOM 60 C GLU A 5 -7.820 1.047 -4.778 1.00 71.31 C ATOM 61 O GLU A 5 -7.372 2.184 -4.919 1.00 41.43 O ATOM 62 CB GLU A 5 -10.175 0.933 -3.914 1.00 42.12 C ATOM 63 CG GLU A 5 -11.672 0.826 -4.217 1.00 70.14 C ATOM 64 CD GLU A 5 -12.515 0.966 -2.951 1.00 1.45 C ATOM 65 OE1 GLU A 5 -12.852 2.111 -2.570 1.00 72.53 O ATOM 66 OE2 GLU A 5 -12.826 -0.062 -2.316 1.00 70.13 O ATOM 0 H GLU A 5 -10.006 -1.237 -5.118 1.00 11.51 H new ATOM 0 HA GLU A 5 -9.571 1.429 -5.937 1.00 21.34 H new ATOM 0 HB2 GLU A 5 -9.913 0.188 -3.163 1.00 42.12 H new ATOM 0 HB3 GLU A 5 -9.972 1.911 -3.478 1.00 42.12 H new ATOM 0 HG2 GLU A 5 -11.955 1.600 -4.930 1.00 70.14 H new ATOM 0 HG3 GLU A 5 -11.880 -0.134 -4.689 1.00 70.14 H new ATOM 73 N LEU A 6 -7.100 0.014 -4.303 1.00 33.34 N ATOM 74 CA LEU A 6 -5.689 0.128 -3.921 1.00 73.43 C ATOM 75 C LEU A 6 -4.832 0.431 -5.167 1.00 64.44 C ATOM 76 O LEU A 6 -3.983 1.317 -5.135 1.00 4.23 O ATOM 77 CB LEU A 6 -5.220 -1.168 -3.213 1.00 52.34 C ATOM 78 CG LEU A 6 -3.764 -1.153 -2.639 1.00 73.40 C ATOM 79 CD1 LEU A 6 -3.544 0.001 -1.635 1.00 24.22 C ATOM 80 CD2 LEU A 6 -3.422 -2.511 -2.006 1.00 11.33 C ATOM 0 H LEU A 6 -7.485 -0.922 -4.175 1.00 33.34 H new ATOM 0 HA LEU A 6 -5.570 0.953 -3.218 1.00 73.43 H new ATOM 0 HB2 LEU A 6 -5.909 -1.380 -2.395 1.00 52.34 H new ATOM 0 HB3 LEU A 6 -5.301 -1.993 -3.920 1.00 52.34 H new ATOM 0 HG LEU A 6 -3.085 -0.977 -3.473 1.00 73.40 H new ATOM 0 HD11 LEU A 6 -2.520 -0.030 -1.264 1.00 24.22 H new ATOM 0 HD12 LEU A 6 -3.721 0.955 -2.132 1.00 24.22 H new ATOM 0 HD13 LEU A 6 -4.236 -0.107 -0.800 1.00 24.22 H new ATOM 0 HD21 LEU A 6 -2.406 -2.483 -1.612 1.00 11.33 H new ATOM 0 HD22 LEU A 6 -4.120 -2.721 -1.196 1.00 11.33 H new ATOM 0 HD23 LEU A 6 -3.497 -3.294 -2.761 1.00 11.33 H new ATOM 92 N ARG A 7 -5.117 -0.290 -6.276 1.00 53.14 N ATOM 93 CA ARG A 7 -4.456 -0.066 -7.580 1.00 32.33 C ATOM 94 C ARG A 7 -4.827 1.321 -8.137 1.00 23.12 C ATOM 95 O ARG A 7 -3.966 2.049 -8.627 1.00 75.45 O ATOM 96 CB ARG A 7 -4.857 -1.178 -8.585 1.00 25.50 C ATOM 97 CG ARG A 7 -4.051 -1.188 -9.906 1.00 30.53 C ATOM 98 CD ARG A 7 -4.350 -2.416 -10.793 1.00 50.02 C ATOM 99 NE ARG A 7 -3.591 -2.388 -12.061 1.00 52.22 N ATOM 100 CZ ARG A 7 -3.360 -3.454 -12.855 1.00 44.04 C ATOM 101 NH1 ARG A 7 -3.823 -4.668 -12.534 1.00 43.03 N ATOM 102 NH2 ARG A 7 -2.693 -3.292 -13.992 1.00 43.10 N ATOM 0 H ARG A 7 -5.808 -1.040 -6.291 1.00 53.14 H new ATOM 0 HA ARG A 7 -3.376 -0.103 -7.434 1.00 32.33 H new ATOM 0 HB2 ARG A 7 -4.740 -2.146 -8.098 1.00 25.50 H new ATOM 0 HB3 ARG A 7 -5.915 -1.067 -8.823 1.00 25.50 H new ATOM 0 HG2 ARG A 7 -4.274 -0.280 -10.467 1.00 30.53 H new ATOM 0 HG3 ARG A 7 -2.986 -1.166 -9.674 1.00 30.53 H new ATOM 0 HD2 ARG A 7 -4.105 -3.326 -10.245 1.00 50.02 H new ATOM 0 HD3 ARG A 7 -5.417 -2.453 -11.011 1.00 50.02 H new ATOM 0 HE ARG A 7 -3.211 -1.490 -12.360 1.00 52.22 H new ATOM 0 HH11 ARG A 7 -4.360 -4.799 -11.677 1.00 43.03 H new ATOM 0 HH12 ARG A 7 -3.639 -5.463 -13.146 1.00 43.03 H new ATOM 0 HH21 ARG A 7 -2.359 -2.366 -14.260 1.00 43.10 H new ATOM 0 HH22 ARG A 7 -2.515 -4.093 -14.597 1.00 43.10 H new ATOM 116 N GLN A 8 -6.119 1.681 -7.990 1.00 42.50 N ATOM 117 CA GLN A 8 -6.671 2.964 -8.465 1.00 13.14 C ATOM 118 C GLN A 8 -6.135 4.142 -7.634 1.00 55.43 C ATOM 119 O GLN A 8 -6.154 5.266 -8.100 1.00 64.23 O ATOM 120 CB GLN A 8 -8.233 2.956 -8.423 1.00 35.43 C ATOM 121 CG GLN A 8 -8.912 1.999 -9.424 1.00 71.51 C ATOM 122 CD GLN A 8 -8.651 2.362 -10.885 1.00 25.25 C ATOM 123 OE1 GLN A 8 -7.548 1.876 -11.426 1.00 14.34 O flip ATOM 124 NE2 GLN A 8 -9.420 3.096 -11.518 1.00 1.54 N flip ATOM 0 H GLN A 8 -6.811 1.085 -7.536 1.00 42.50 H new ATOM 0 HA GLN A 8 -6.349 3.091 -9.499 1.00 13.14 H new ATOM 0 HB2 GLN A 8 -8.552 2.689 -7.416 1.00 35.43 H new ATOM 0 HB3 GLN A 8 -8.591 3.968 -8.613 1.00 35.43 H new ATOM 0 HG2 GLN A 8 -8.559 0.984 -9.241 1.00 71.51 H new ATOM 0 HG3 GLN A 8 -9.987 2.000 -9.244 1.00 71.51 H new ATOM 0 HE21 GLN A 8 -10.264 3.456 -11.072 1.00 1.54 H new ATOM 0 HE22 GLN A 8 -9.210 3.342 -12.485 1.00 1.54 H new ATOM 133 N LEU A 9 -5.671 3.868 -6.404 1.00 53.41 N ATOM 134 CA LEU A 9 -5.092 4.897 -5.518 1.00 61.15 C ATOM 135 C LEU A 9 -3.659 5.230 -5.976 1.00 12.53 C ATOM 136 O LEU A 9 -3.243 6.387 -5.950 1.00 22.53 O ATOM 137 CB LEU A 9 -5.117 4.398 -4.041 1.00 13.42 C ATOM 138 CG LEU A 9 -4.698 5.429 -2.937 1.00 71.35 C ATOM 139 CD1 LEU A 9 -5.542 6.722 -3.007 1.00 62.43 C ATOM 140 CD2 LEU A 9 -4.773 4.793 -1.529 1.00 34.33 C ATOM 0 H LEU A 9 -5.685 2.934 -5.995 1.00 53.41 H new ATOM 0 HA LEU A 9 -5.686 5.809 -5.575 1.00 61.15 H new ATOM 0 HB2 LEU A 9 -6.126 4.052 -3.817 1.00 13.42 H new ATOM 0 HB3 LEU A 9 -4.459 3.532 -3.964 1.00 13.42 H new ATOM 0 HG LEU A 9 -3.662 5.708 -3.130 1.00 71.35 H new ATOM 0 HD11 LEU A 9 -5.220 7.410 -2.225 1.00 62.43 H new ATOM 0 HD12 LEU A 9 -5.408 7.192 -3.981 1.00 62.43 H new ATOM 0 HD13 LEU A 9 -6.595 6.478 -2.864 1.00 62.43 H new ATOM 0 HD21 LEU A 9 -4.477 5.529 -0.781 1.00 34.33 H new ATOM 0 HD22 LEU A 9 -5.794 4.465 -1.332 1.00 34.33 H new ATOM 0 HD23 LEU A 9 -4.101 3.936 -1.480 1.00 34.33 H new ATOM 152 N LEU A 10 -2.934 4.190 -6.432 1.00 61.11 N ATOM 153 CA LEU A 10 -1.550 4.311 -6.930 1.00 31.42 C ATOM 154 C LEU A 10 -1.536 4.922 -8.360 1.00 63.45 C ATOM 155 O LEU A 10 -0.621 5.672 -8.719 1.00 75.22 O ATOM 156 CB LEU A 10 -0.873 2.908 -6.907 1.00 13.31 C ATOM 157 CG LEU A 10 -0.950 2.133 -5.546 1.00 64.24 C ATOM 158 CD1 LEU A 10 -0.394 0.701 -5.668 1.00 4.41 C ATOM 159 CD2 LEU A 10 -0.261 2.904 -4.407 1.00 41.43 C ATOM 0 H LEU A 10 -3.295 3.236 -6.465 1.00 61.11 H new ATOM 0 HA LEU A 10 -0.986 4.983 -6.283 1.00 31.42 H new ATOM 0 HB2 LEU A 10 -1.332 2.292 -7.680 1.00 13.31 H new ATOM 0 HB3 LEU A 10 0.176 3.028 -7.176 1.00 13.31 H new ATOM 0 HG LEU A 10 -2.007 2.052 -5.291 1.00 64.24 H new ATOM 0 HD11 LEU A 10 -0.466 0.199 -4.703 1.00 4.41 H new ATOM 0 HD12 LEU A 10 -0.972 0.148 -6.408 1.00 4.41 H new ATOM 0 HD13 LEU A 10 0.650 0.741 -5.979 1.00 4.41 H new ATOM 0 HD21 LEU A 10 -0.337 2.332 -3.482 1.00 41.43 H new ATOM 0 HD22 LEU A 10 0.790 3.056 -4.654 1.00 41.43 H new ATOM 0 HD23 LEU A 10 -0.746 3.871 -4.277 1.00 41.43 H new ATOM 171 N LEU A 11 -2.579 4.592 -9.152 1.00 32.13 N ATOM 172 CA LEU A 11 -2.755 5.087 -10.538 1.00 20.33 C ATOM 173 C LEU A 11 -3.256 6.543 -10.556 1.00 34.23 C ATOM 174 O LEU A 11 -2.775 7.363 -11.341 1.00 4.44 O ATOM 175 CB LEU A 11 -3.739 4.165 -11.323 1.00 52.30 C ATOM 176 CG LEU A 11 -3.196 2.751 -11.700 1.00 55.51 C ATOM 177 CD1 LEU A 11 -4.295 1.866 -12.324 1.00 42.52 C ATOM 178 CD2 LEU A 11 -1.981 2.863 -12.639 1.00 11.50 C ATOM 0 H LEU A 11 -3.328 3.971 -8.847 1.00 32.13 H new ATOM 0 HA LEU A 11 -1.781 5.063 -11.027 1.00 20.33 H new ATOM 0 HB2 LEU A 11 -4.642 4.039 -10.726 1.00 52.30 H new ATOM 0 HB3 LEU A 11 -4.032 4.676 -12.240 1.00 52.30 H new ATOM 0 HG LEU A 11 -2.873 2.268 -10.778 1.00 55.51 H new ATOM 0 HD11 LEU A 11 -3.878 0.890 -12.573 1.00 42.52 H new ATOM 0 HD12 LEU A 11 -5.110 1.742 -11.611 1.00 42.52 H new ATOM 0 HD13 LEU A 11 -4.674 2.340 -13.229 1.00 42.52 H new ATOM 0 HD21 LEU A 11 -1.620 1.865 -12.888 1.00 11.50 H new ATOM 0 HD22 LEU A 11 -2.273 3.381 -13.552 1.00 11.50 H new ATOM 0 HD23 LEU A 11 -1.188 3.422 -12.143 1.00 11.50 H new ATOM 190 N ASP A 12 -4.238 6.852 -9.694 1.00 11.31 N ATOM 191 CA ASP A 12 -4.808 8.220 -9.591 1.00 12.33 C ATOM 192 C ASP A 12 -3.758 9.210 -9.052 1.00 34.34 C ATOM 193 O ASP A 12 -3.720 10.377 -9.465 1.00 71.45 O ATOM 194 CB ASP A 12 -6.069 8.219 -8.685 1.00 50.31 C ATOM 195 CG ASP A 12 -6.875 9.535 -8.729 1.00 12.04 C ATOM 196 OD1 ASP A 12 -7.611 9.756 -9.715 1.00 71.11 O ATOM 197 OD2 ASP A 12 -6.800 10.338 -7.768 1.00 71.20 O ATOM 0 H ASP A 12 -4.659 6.178 -9.055 1.00 11.31 H new ATOM 0 HA ASP A 12 -5.101 8.542 -10.590 1.00 12.33 H new ATOM 0 HB2 ASP A 12 -6.719 7.397 -8.985 1.00 50.31 H new ATOM 0 HB3 ASP A 12 -5.765 8.026 -7.656 1.00 50.31 H new ATOM 202 N LYS A 13 -2.891 8.721 -8.145 1.00 73.33 N ATOM 203 CA LYS A 13 -1.849 9.544 -7.514 1.00 40.45 C ATOM 204 C LYS A 13 -0.617 9.678 -8.434 1.00 73.20 C ATOM 205 O LYS A 13 -0.336 10.765 -8.945 1.00 74.34 O ATOM 206 CB LYS A 13 -1.434 8.936 -6.141 1.00 73.22 C ATOM 207 CG LYS A 13 -0.425 9.787 -5.333 1.00 63.03 C ATOM 208 CD LYS A 13 -0.997 11.159 -4.918 1.00 33.44 C ATOM 209 CE LYS A 13 0.033 12.020 -4.171 1.00 33.32 C ATOM 210 NZ LYS A 13 1.246 12.281 -4.989 1.00 64.35 N ATOM 0 H LYS A 13 -2.895 7.750 -7.833 1.00 73.33 H new ATOM 0 HA LYS A 13 -2.260 10.540 -7.348 1.00 40.45 H new ATOM 0 HB2 LYS A 13 -2.330 8.791 -5.538 1.00 73.22 H new ATOM 0 HB3 LYS A 13 -1.002 7.950 -6.312 1.00 73.22 H new ATOM 0 HG2 LYS A 13 -0.127 9.238 -4.440 1.00 63.03 H new ATOM 0 HG3 LYS A 13 0.475 9.939 -5.929 1.00 63.03 H new ATOM 0 HD2 LYS A 13 -1.337 11.692 -5.806 1.00 33.44 H new ATOM 0 HD3 LYS A 13 -1.870 11.009 -4.283 1.00 33.44 H new ATOM 0 HE2 LYS A 13 -0.425 12.969 -3.890 1.00 33.32 H new ATOM 0 HE3 LYS A 13 0.321 11.519 -3.247 1.00 33.32 H new ATOM 0 HZ1 LYS A 13 1.817 13.022 -4.536 1.00 64.35 H new ATOM 0 HZ2 LYS A 13 1.808 11.409 -5.065 1.00 64.35 H new ATOM 0 HZ3 LYS A 13 0.963 12.595 -5.939 1.00 64.35 H new ATOM 224 N TRP A 14 0.087 8.560 -8.669 1.00 35.44 N ATOM 225 CA TRP A 14 1.416 8.564 -9.332 1.00 73.01 C ATOM 226 C TRP A 14 1.352 8.127 -10.810 1.00 23.54 C ATOM 227 O TRP A 14 2.341 8.274 -11.536 1.00 64.44 O ATOM 228 CB TRP A 14 2.385 7.640 -8.556 1.00 74.32 C ATOM 229 CG TRP A 14 2.708 8.100 -7.147 1.00 21.05 C ATOM 230 CD1 TRP A 14 3.357 9.245 -6.802 1.00 34.45 C ATOM 231 CD2 TRP A 14 2.428 7.422 -5.903 1.00 31.51 C ATOM 232 NE1 TRP A 14 3.485 9.336 -5.442 1.00 21.44 N ATOM 233 CE2 TRP A 14 2.926 8.236 -4.865 1.00 14.54 C ATOM 234 CE3 TRP A 14 1.810 6.218 -5.565 1.00 25.20 C ATOM 235 CZ2 TRP A 14 2.832 7.886 -3.521 1.00 0.24 C ATOM 236 CZ3 TRP A 14 1.707 5.877 -4.226 1.00 12.05 C ATOM 237 CH2 TRP A 14 2.214 6.708 -3.219 1.00 2.31 C ATOM 0 H TRP A 14 -0.240 7.629 -8.410 1.00 35.44 H new ATOM 0 HA TRP A 14 1.777 9.592 -9.320 1.00 73.01 H new ATOM 0 HB2 TRP A 14 1.952 6.641 -8.507 1.00 74.32 H new ATOM 0 HB3 TRP A 14 3.315 7.557 -9.119 1.00 74.32 H new ATOM 0 HD1 TRP A 14 3.721 9.981 -7.504 1.00 34.45 H new ATOM 0 HE1 TRP A 14 3.929 10.105 -4.940 1.00 21.44 H new ATOM 0 HE3 TRP A 14 1.420 5.565 -6.331 1.00 25.20 H new ATOM 0 HZ2 TRP A 14 3.233 8.523 -2.747 1.00 0.24 H new ATOM 0 HZ3 TRP A 14 1.225 4.950 -3.953 1.00 12.05 H new ATOM 0 HH2 TRP A 14 2.114 6.411 -2.185 1.00 2.31 H new ATOM 248 N GLY A 15 0.203 7.571 -11.243 1.00 33.12 N ATOM 249 CA GLY A 15 0.033 7.104 -12.633 1.00 3.53 C ATOM 250 C GLY A 15 0.529 5.677 -12.867 1.00 50.14 C ATOM 251 O GLY A 15 0.403 5.145 -13.979 1.00 43.11 O ATOM 0 H GLY A 15 -0.618 7.435 -10.653 1.00 33.12 H new ATOM 0 HA2 GLY A 15 -1.022 7.161 -12.899 1.00 3.53 H new ATOM 0 HA3 GLY A 15 0.567 7.779 -13.302 1.00 3.53 H new ATOM 255 N TYR A 16 1.076 5.050 -11.816 1.00 53.04 N ATOM 256 CA TYR A 16 1.717 3.725 -11.888 1.00 73.10 C ATOM 257 C TYR A 16 1.194 2.839 -10.752 1.00 10.52 C ATOM 258 O TYR A 16 1.087 3.290 -9.612 1.00 44.33 O ATOM 259 CB TYR A 16 3.262 3.857 -11.798 1.00 73.21 C ATOM 260 CG TYR A 16 3.922 4.537 -13.009 1.00 71.45 C ATOM 261 CD1 TYR A 16 4.272 3.798 -14.140 1.00 73.20 C ATOM 262 CD2 TYR A 16 4.188 5.909 -13.031 1.00 13.10 C ATOM 263 CE1 TYR A 16 4.858 4.391 -15.239 1.00 33.13 C ATOM 264 CE2 TYR A 16 4.776 6.506 -14.134 1.00 23.25 C ATOM 265 CZ TYR A 16 5.110 5.743 -15.234 1.00 43.34 C ATOM 266 OH TYR A 16 5.688 6.335 -16.342 1.00 40.02 O ATOM 0 H TYR A 16 1.087 5.452 -10.879 1.00 53.04 H new ATOM 0 HA TYR A 16 1.470 3.267 -12.846 1.00 73.10 H new ATOM 0 HB2 TYR A 16 3.513 4.422 -10.900 1.00 73.21 H new ATOM 0 HB3 TYR A 16 3.691 2.862 -11.679 1.00 73.21 H new ATOM 0 HD1 TYR A 16 4.079 2.735 -14.155 1.00 73.20 H new ATOM 0 HD2 TYR A 16 3.931 6.514 -12.174 1.00 13.10 H new ATOM 0 HE1 TYR A 16 5.118 3.795 -16.101 1.00 33.13 H new ATOM 0 HE2 TYR A 16 4.973 7.568 -14.133 1.00 23.25 H new ATOM 0 HH TYR A 16 5.799 7.295 -16.180 1.00 40.02 H new ATOM 276 N SER A 17 0.851 1.589 -11.081 1.00 73.52 N ATOM 277 CA SER A 17 0.365 0.609 -10.109 1.00 2.31 C ATOM 278 C SER A 17 1.563 -0.102 -9.445 1.00 52.12 C ATOM 279 O SER A 17 2.094 -1.080 -9.987 1.00 44.12 O ATOM 280 CB SER A 17 -0.588 -0.385 -10.820 1.00 41.34 C ATOM 281 OG SER A 17 0.000 -0.939 -11.990 1.00 25.24 O ATOM 0 H SER A 17 0.904 1.229 -12.034 1.00 73.52 H new ATOM 0 HA SER A 17 -0.199 1.103 -9.318 1.00 2.31 H new ATOM 0 HB2 SER A 17 -0.854 -1.188 -10.132 1.00 41.34 H new ATOM 0 HB3 SER A 17 -1.513 0.126 -11.086 1.00 41.34 H new ATOM 0 HG SER A 17 0.918 -1.219 -11.793 1.00 25.24 H new ATOM 287 N TYR A 18 1.997 0.419 -8.283 1.00 12.15 N ATOM 288 CA TYR A 18 3.183 -0.087 -7.558 1.00 54.10 C ATOM 289 C TYR A 18 2.864 -1.310 -6.690 1.00 13.13 C ATOM 290 O TYR A 18 1.711 -1.564 -6.335 1.00 44.35 O ATOM 291 CB TYR A 18 3.779 1.020 -6.652 1.00 40.45 C ATOM 292 CG TYR A 18 4.266 2.256 -7.407 1.00 34.25 C ATOM 293 CD1 TYR A 18 5.530 2.288 -8.003 1.00 51.43 C ATOM 294 CD2 TYR A 18 3.465 3.384 -7.531 1.00 53.00 C ATOM 295 CE1 TYR A 18 5.962 3.399 -8.695 1.00 44.22 C ATOM 296 CE2 TYR A 18 3.896 4.490 -8.215 1.00 24.34 C ATOM 297 CZ TYR A 18 5.140 4.498 -8.801 1.00 50.24 C ATOM 298 OH TYR A 18 5.551 5.607 -9.507 1.00 25.42 O ATOM 0 H TYR A 18 1.538 1.202 -7.818 1.00 12.15 H new ATOM 0 HA TYR A 18 3.904 -0.385 -8.319 1.00 54.10 H new ATOM 0 HB2 TYR A 18 3.024 1.325 -5.927 1.00 40.45 H new ATOM 0 HB3 TYR A 18 4.612 0.602 -6.088 1.00 40.45 H new ATOM 0 HD1 TYR A 18 6.179 1.428 -7.920 1.00 51.43 H new ATOM 0 HD2 TYR A 18 2.484 3.389 -7.080 1.00 53.00 H new ATOM 0 HE1 TYR A 18 6.941 3.407 -9.152 1.00 44.22 H new ATOM 0 HE2 TYR A 18 3.257 5.357 -8.294 1.00 24.34 H new ATOM 0 HH TYR A 18 4.770 6.057 -9.892 1.00 25.42 H new ATOM 308 N ASP A 19 3.920 -2.042 -6.350 1.00 14.54 N ATOM 309 CA ASP A 19 3.877 -3.114 -5.355 1.00 41.52 C ATOM 310 C ASP A 19 3.841 -2.477 -3.964 1.00 42.50 C ATOM 311 O ASP A 19 4.490 -1.459 -3.734 1.00 44.11 O ATOM 312 CB ASP A 19 5.123 -4.030 -5.513 1.00 43.51 C ATOM 313 CG ASP A 19 5.204 -5.177 -4.491 1.00 53.03 C ATOM 314 OD1 ASP A 19 4.208 -5.917 -4.332 1.00 4.14 O ATOM 315 OD2 ASP A 19 6.263 -5.351 -3.847 1.00 25.13 O ATOM 0 H ASP A 19 4.843 -1.907 -6.762 1.00 14.54 H new ATOM 0 HA ASP A 19 2.989 -3.730 -5.495 1.00 41.52 H new ATOM 0 HB2 ASP A 19 5.122 -4.454 -6.517 1.00 43.51 H new ATOM 0 HB3 ASP A 19 6.021 -3.419 -5.426 1.00 43.51 H new ATOM 320 N VAL A 20 3.051 -3.051 -3.057 1.00 52.24 N ATOM 321 CA VAL A 20 2.932 -2.563 -1.673 1.00 14.33 C ATOM 322 C VAL A 20 3.150 -3.748 -0.717 1.00 44.01 C ATOM 323 O VAL A 20 2.483 -4.781 -0.834 1.00 63.53 O ATOM 324 CB VAL A 20 1.527 -1.868 -1.423 1.00 54.12 C ATOM 325 CG1 VAL A 20 1.438 -0.482 -2.113 1.00 62.22 C ATOM 326 CG2 VAL A 20 0.353 -2.768 -1.882 1.00 31.03 C ATOM 0 H VAL A 20 2.473 -3.868 -3.256 1.00 52.24 H new ATOM 0 HA VAL A 20 3.691 -1.803 -1.489 1.00 14.33 H new ATOM 0 HB VAL A 20 1.443 -1.718 -0.347 1.00 54.12 H new ATOM 0 HG11 VAL A 20 0.461 -0.040 -1.917 1.00 62.22 H new ATOM 0 HG12 VAL A 20 2.217 0.171 -1.719 1.00 62.22 H new ATOM 0 HG13 VAL A 20 1.574 -0.601 -3.188 1.00 62.22 H new ATOM 0 HG21 VAL A 20 -0.592 -2.258 -1.694 1.00 31.03 H new ATOM 0 HG22 VAL A 20 0.448 -2.975 -2.948 1.00 31.03 H new ATOM 0 HG23 VAL A 20 0.375 -3.706 -1.327 1.00 31.03 H new ATOM 336 N GLN A 21 4.099 -3.608 0.220 1.00 64.35 N ATOM 337 CA GLN A 21 4.465 -4.688 1.165 1.00 64.32 C ATOM 338 C GLN A 21 4.156 -4.254 2.601 1.00 4.11 C ATOM 339 O GLN A 21 4.215 -3.063 2.925 1.00 31.20 O ATOM 340 CB GLN A 21 5.973 -5.068 1.030 1.00 61.12 C ATOM 341 CG GLN A 21 6.979 -3.997 1.523 1.00 24.22 C ATOM 342 CD GLN A 21 8.435 -4.477 1.554 1.00 14.43 C ATOM 343 OE1 GLN A 21 8.712 -5.670 1.697 1.00 43.33 O ATOM 344 NE2 GLN A 21 9.378 -3.549 1.479 1.00 70.43 N ATOM 0 H GLN A 21 4.635 -2.750 0.349 1.00 64.35 H new ATOM 0 HA GLN A 21 3.872 -5.570 0.921 1.00 64.32 H new ATOM 0 HB2 GLN A 21 6.149 -5.989 1.586 1.00 61.12 H new ATOM 0 HB3 GLN A 21 6.183 -5.283 -0.018 1.00 61.12 H new ATOM 0 HG2 GLN A 21 6.909 -3.122 0.876 1.00 24.22 H new ATOM 0 HG3 GLN A 21 6.691 -3.677 2.524 1.00 24.22 H new ATOM 0 HE21 GLN A 21 9.121 -2.569 1.361 1.00 70.43 H new ATOM 0 HE22 GLN A 21 10.361 -3.815 1.540 1.00 70.43 H new ATOM 353 N PHE A 22 3.803 -5.224 3.452 1.00 25.03 N ATOM 354 CA PHE A 22 3.608 -4.985 4.883 1.00 45.14 C ATOM 355 C PHE A 22 4.944 -5.100 5.612 1.00 72.44 C ATOM 356 O PHE A 22 5.610 -6.147 5.557 1.00 50.34 O ATOM 357 CB PHE A 22 2.574 -5.967 5.477 1.00 34.24 C ATOM 358 CG PHE A 22 1.142 -5.627 5.098 1.00 25.20 C ATOM 359 CD1 PHE A 22 0.563 -4.432 5.535 1.00 0.05 C ATOM 360 CD2 PHE A 22 0.373 -6.487 4.321 1.00 14.42 C ATOM 361 CE1 PHE A 22 -0.732 -4.110 5.207 1.00 14.32 C ATOM 362 CE2 PHE A 22 -0.919 -6.160 3.997 1.00 42.11 C ATOM 363 CZ PHE A 22 -1.473 -4.972 4.438 1.00 2.34 C ATOM 0 H PHE A 22 3.646 -6.191 3.168 1.00 25.03 H new ATOM 0 HA PHE A 22 3.217 -3.976 5.016 1.00 45.14 H new ATOM 0 HB2 PHE A 22 2.804 -6.977 5.137 1.00 34.24 H new ATOM 0 HB3 PHE A 22 2.665 -5.968 6.563 1.00 34.24 H new ATOM 0 HD1 PHE A 22 1.143 -3.751 6.140 1.00 0.05 H new ATOM 0 HD2 PHE A 22 0.796 -7.417 3.971 1.00 14.42 H new ATOM 0 HE1 PHE A 22 -1.165 -3.183 5.553 1.00 14.32 H new ATOM 0 HE2 PHE A 22 -1.508 -6.835 3.393 1.00 42.11 H new ATOM 0 HZ PHE A 22 -2.491 -4.722 4.177 1.00 2.34 H new ATOM 373 N ARG A 23 5.332 -4.014 6.288 1.00 21.44 N ATOM 374 CA ARG A 23 6.527 -3.985 7.118 1.00 13.25 C ATOM 375 C ARG A 23 6.103 -4.165 8.581 1.00 71.52 C ATOM 376 O ARG A 23 5.434 -3.306 9.160 1.00 23.52 O ATOM 377 CB ARG A 23 7.322 -2.673 6.924 1.00 52.35 C ATOM 378 CG ARG A 23 8.656 -2.625 7.709 1.00 53.00 C ATOM 379 CD ARG A 23 9.641 -3.735 7.281 1.00 21.13 C ATOM 380 NE ARG A 23 10.858 -3.753 8.115 1.00 71.14 N ATOM 381 CZ ARG A 23 11.704 -4.799 8.226 1.00 65.02 C ATOM 382 NH1 ARG A 23 11.484 -5.938 7.562 1.00 43.00 N ATOM 383 NH2 ARG A 23 12.772 -4.696 9.011 1.00 5.52 N ATOM 0 H ARG A 23 4.821 -3.131 6.271 1.00 21.44 H new ATOM 0 HA ARG A 23 7.193 -4.796 6.824 1.00 13.25 H new ATOM 0 HB2 ARG A 23 7.532 -2.540 5.863 1.00 52.35 H new ATOM 0 HB3 ARG A 23 6.699 -1.833 7.233 1.00 52.35 H new ATOM 0 HG2 ARG A 23 9.125 -1.652 7.561 1.00 53.00 H new ATOM 0 HG3 ARG A 23 8.449 -2.720 8.775 1.00 53.00 H new ATOM 0 HD2 ARG A 23 9.145 -4.703 7.345 1.00 21.13 H new ATOM 0 HD3 ARG A 23 9.920 -3.588 6.238 1.00 21.13 H new ATOM 0 HE ARG A 23 11.077 -2.911 8.648 1.00 71.14 H new ATOM 0 HH11 ARG A 23 10.666 -6.027 6.959 1.00 43.00 H new ATOM 0 HH12 ARG A 23 12.134 -6.718 7.658 1.00 43.00 H new ATOM 0 HH21 ARG A 23 12.947 -3.832 9.523 1.00 5.52 H new ATOM 0 HH22 ARG A 23 13.417 -5.481 9.101 1.00 5.52 H new ATOM 397 N ARG A 24 6.472 -5.315 9.141 1.00 13.41 N ATOM 398 CA ARG A 24 6.137 -5.706 10.511 1.00 61.00 C ATOM 399 C ARG A 24 7.405 -5.560 11.357 1.00 32.42 C ATOM 400 O ARG A 24 8.268 -6.449 11.350 1.00 52.23 O ATOM 401 CB ARG A 24 5.616 -7.174 10.544 1.00 41.25 C ATOM 402 CG ARG A 24 4.484 -7.490 9.543 1.00 35.13 C ATOM 403 CD ARG A 24 4.193 -9.001 9.449 1.00 12.43 C ATOM 404 NE ARG A 24 5.405 -9.788 9.123 1.00 42.15 N ATOM 405 CZ ARG A 24 5.817 -10.112 7.882 1.00 32.03 C ATOM 406 NH1 ARG A 24 5.134 -9.732 6.811 1.00 72.43 N ATOM 407 NH2 ARG A 24 6.929 -10.817 7.728 1.00 55.32 N ATOM 0 H ARG A 24 7.023 -6.016 8.646 1.00 13.41 H new ATOM 0 HA ARG A 24 5.345 -5.071 10.908 1.00 61.00 H new ATOM 0 HB2 ARG A 24 6.452 -7.844 10.346 1.00 41.25 H new ATOM 0 HB3 ARG A 24 5.262 -7.395 11.551 1.00 41.25 H new ATOM 0 HG2 ARG A 24 3.578 -6.966 9.845 1.00 35.13 H new ATOM 0 HG3 ARG A 24 4.757 -7.113 8.558 1.00 35.13 H new ATOM 0 HD2 ARG A 24 3.781 -9.349 10.396 1.00 12.43 H new ATOM 0 HD3 ARG A 24 3.433 -9.176 8.687 1.00 12.43 H new ATOM 0 HE ARG A 24 5.976 -10.112 9.904 1.00 42.15 H new ATOM 0 HH11 ARG A 24 4.280 -9.184 6.918 1.00 72.43 H new ATOM 0 HH12 ARG A 24 5.462 -9.987 5.880 1.00 72.43 H new ATOM 0 HH21 ARG A 24 7.465 -11.109 8.545 1.00 55.32 H new ATOM 0 HH22 ARG A 24 7.249 -11.067 6.792 1.00 55.32 H new ATOM 421 N THR A 25 7.539 -4.416 12.031 1.00 4.01 N ATOM 422 CA THR A 25 8.712 -4.115 12.870 1.00 74.44 C ATOM 423 C THR A 25 8.269 -3.385 14.143 1.00 51.15 C ATOM 424 O THR A 25 7.360 -2.544 14.102 1.00 20.21 O ATOM 425 CB THR A 25 9.812 -3.300 12.101 1.00 33.34 C ATOM 426 OG1 THR A 25 10.942 -3.048 12.964 1.00 12.12 O ATOM 427 CG2 THR A 25 9.282 -1.969 11.537 1.00 52.30 C ATOM 0 H THR A 25 6.842 -3.671 12.014 1.00 4.01 H new ATOM 0 HA THR A 25 9.173 -5.064 13.144 1.00 74.44 H new ATOM 0 HB THR A 25 10.120 -3.911 11.253 1.00 33.34 H new ATOM 0 HG1 THR A 25 11.622 -2.541 12.473 1.00 12.12 H new ATOM 0 HG21 THR A 25 10.086 -1.449 11.016 1.00 52.30 H new ATOM 0 HG22 THR A 25 8.467 -2.168 10.841 1.00 52.30 H new ATOM 0 HG23 THR A 25 8.917 -1.347 12.354 1.00 52.30 H new ATOM 435 N GLN A 26 8.907 -3.769 15.276 1.00 43.22 N ATOM 436 CA GLN A 26 8.643 -3.225 16.627 1.00 63.01 C ATOM 437 C GLN A 26 7.203 -3.543 17.086 1.00 31.32 C ATOM 438 O GLN A 26 6.621 -2.810 17.899 1.00 4.32 O ATOM 439 CB GLN A 26 8.953 -1.693 16.690 1.00 11.35 C ATOM 440 CG GLN A 26 10.366 -1.289 16.211 1.00 35.22 C ATOM 441 CD GLN A 26 11.498 -2.071 16.888 1.00 5.00 C ATOM 442 OE1 GLN A 26 11.985 -1.697 17.958 1.00 43.22 O ATOM 443 NE2 GLN A 26 11.955 -3.145 16.252 1.00 22.33 N ATOM 0 H GLN A 26 9.636 -4.482 15.273 1.00 43.22 H new ATOM 0 HA GLN A 26 9.318 -3.718 17.326 1.00 63.01 H new ATOM 0 HB2 GLN A 26 8.216 -1.164 16.085 1.00 11.35 H new ATOM 0 HB3 GLN A 26 8.824 -1.354 17.718 1.00 11.35 H new ATOM 0 HG2 GLN A 26 10.430 -1.437 15.133 1.00 35.22 H new ATOM 0 HG3 GLN A 26 10.511 -0.225 16.396 1.00 35.22 H new ATOM 0 HE21 GLN A 26 11.534 -3.432 15.368 1.00 22.33 H new ATOM 0 HE22 GLN A 26 12.727 -3.682 16.647 1.00 22.33 H new ATOM 452 N GLY A 27 6.652 -4.662 16.562 1.00 12.10 N ATOM 453 CA GLY A 27 5.276 -5.086 16.844 1.00 65.23 C ATOM 454 C GLY A 27 4.224 -4.344 16.020 1.00 74.14 C ATOM 455 O GLY A 27 3.035 -4.677 16.088 1.00 64.33 O ATOM 0 H GLY A 27 7.154 -5.290 15.934 1.00 12.10 H new ATOM 0 HA2 GLY A 27 5.188 -6.155 16.651 1.00 65.23 H new ATOM 0 HA3 GLY A 27 5.068 -4.935 17.903 1.00 65.23 H new ATOM 459 N LYS A 28 4.674 -3.369 15.211 1.00 45.11 N ATOM 460 CA LYS A 28 3.806 -2.426 14.486 1.00 54.20 C ATOM 461 C LYS A 28 3.660 -2.841 13.021 1.00 42.43 C ATOM 462 O LYS A 28 4.473 -3.624 12.505 1.00 54.32 O ATOM 463 CB LYS A 28 4.431 -1.014 14.549 1.00 31.25 C ATOM 464 CG LYS A 28 4.701 -0.511 15.974 1.00 15.12 C ATOM 465 CD LYS A 28 5.502 0.806 15.999 1.00 43.45 C ATOM 466 CE LYS A 28 5.614 1.385 17.413 1.00 13.21 C ATOM 467 NZ LYS A 28 4.274 1.657 17.992 1.00 40.13 N ATOM 0 H LYS A 28 5.667 -3.212 15.040 1.00 45.11 H new ATOM 0 HA LYS A 28 2.821 -2.428 14.952 1.00 54.20 H new ATOM 0 HB2 LYS A 28 5.369 -1.018 13.993 1.00 31.25 H new ATOM 0 HB3 LYS A 28 3.766 -0.311 14.047 1.00 31.25 H new ATOM 0 HG2 LYS A 28 3.752 -0.364 16.489 1.00 15.12 H new ATOM 0 HG3 LYS A 28 5.248 -1.275 16.527 1.00 15.12 H new ATOM 0 HD2 LYS A 28 6.501 0.630 15.600 1.00 43.45 H new ATOM 0 HD3 LYS A 28 5.021 1.535 15.346 1.00 43.45 H new ATOM 0 HE2 LYS A 28 6.154 0.687 18.053 1.00 13.21 H new ATOM 0 HE3 LYS A 28 6.195 2.307 17.386 1.00 13.21 H new ATOM 0 HZ1 LYS A 28 4.275 2.593 18.445 1.00 40.13 H new ATOM 0 HZ2 LYS A 28 3.559 1.639 17.237 1.00 40.13 H new ATOM 0 HZ3 LYS A 28 4.048 0.930 18.700 1.00 40.13 H new ATOM 481 N ILE A 29 2.638 -2.284 12.348 1.00 64.14 N ATOM 482 CA ILE A 29 2.364 -2.560 10.931 1.00 44.05 C ATOM 483 C ILE A 29 2.511 -1.262 10.101 1.00 24.32 C ATOM 484 O ILE A 29 2.045 -0.183 10.494 1.00 53.31 O ATOM 485 CB ILE A 29 0.942 -3.226 10.730 1.00 54.51 C ATOM 486 CG1 ILE A 29 0.771 -3.791 9.283 1.00 14.10 C ATOM 487 CG2 ILE A 29 -0.211 -2.266 11.099 1.00 35.23 C ATOM 488 CD1 ILE A 29 1.775 -4.878 8.921 1.00 74.04 C ATOM 0 H ILE A 29 1.980 -1.630 12.773 1.00 64.14 H new ATOM 0 HA ILE A 29 3.098 -3.281 10.573 1.00 44.05 H new ATOM 0 HB ILE A 29 0.889 -4.067 11.422 1.00 54.51 H new ATOM 0 HG12 ILE A 29 -0.237 -4.192 9.177 1.00 14.10 H new ATOM 0 HG13 ILE A 29 0.865 -2.972 8.570 1.00 14.10 H new ATOM 0 HG21 ILE A 29 -1.166 -2.768 10.945 1.00 35.23 H new ATOM 0 HG22 ILE A 29 -0.120 -1.973 12.145 1.00 35.23 H new ATOM 0 HG23 ILE A 29 -0.162 -1.378 10.468 1.00 35.23 H new ATOM 0 HD11 ILE A 29 1.591 -5.218 7.902 1.00 74.04 H new ATOM 0 HD12 ILE A 29 2.786 -4.478 8.993 1.00 74.04 H new ATOM 0 HD13 ILE A 29 1.667 -5.717 9.609 1.00 74.04 H new ATOM 500 N PHE A 30 3.228 -1.387 8.978 1.00 41.42 N ATOM 501 CA PHE A 30 3.461 -0.311 8.005 1.00 75.25 C ATOM 502 C PHE A 30 3.129 -0.850 6.609 1.00 51.02 C ATOM 503 O PHE A 30 3.046 -2.072 6.420 1.00 12.52 O ATOM 504 CB PHE A 30 4.948 0.171 8.048 1.00 41.12 C ATOM 505 CG PHE A 30 5.451 0.632 9.424 1.00 62.43 C ATOM 506 CD1 PHE A 30 5.906 -0.292 10.375 1.00 22.30 C ATOM 507 CD2 PHE A 30 5.456 1.981 9.777 1.00 41.41 C ATOM 508 CE1 PHE A 30 6.346 0.123 11.620 1.00 63.31 C ATOM 509 CE2 PHE A 30 5.896 2.393 11.024 1.00 13.55 C ATOM 510 CZ PHE A 30 6.341 1.461 11.946 1.00 61.35 C ATOM 0 H PHE A 30 3.675 -2.264 8.713 1.00 41.42 H new ATOM 0 HA PHE A 30 2.828 0.542 8.248 1.00 75.25 H new ATOM 0 HB2 PHE A 30 5.586 -0.642 7.700 1.00 41.12 H new ATOM 0 HB3 PHE A 30 5.066 0.993 7.342 1.00 41.12 H new ATOM 0 HD1 PHE A 30 5.913 -1.344 10.132 1.00 22.30 H new ATOM 0 HD2 PHE A 30 5.111 2.717 9.066 1.00 41.41 H new ATOM 0 HE1 PHE A 30 6.694 -0.605 12.338 1.00 63.31 H new ATOM 0 HE2 PHE A 30 5.892 3.443 11.277 1.00 13.55 H new ATOM 0 HZ PHE A 30 6.683 1.782 12.919 1.00 61.35 H new ATOM 520 N LEU A 31 2.949 0.050 5.635 1.00 4.11 N ATOM 521 CA LEU A 31 2.728 -0.328 4.230 1.00 54.04 C ATOM 522 C LEU A 31 3.722 0.432 3.339 1.00 23.24 C ATOM 523 O LEU A 31 3.513 1.606 3.023 1.00 2.03 O ATOM 524 CB LEU A 31 1.258 -0.047 3.785 1.00 2.42 C ATOM 525 CG LEU A 31 0.878 -0.611 2.375 1.00 45.31 C ATOM 526 CD1 LEU A 31 0.962 -2.152 2.361 1.00 21.12 C ATOM 527 CD2 LEU A 31 -0.506 -0.115 1.909 1.00 72.24 C ATOM 0 H LEU A 31 2.952 1.057 5.795 1.00 4.11 H new ATOM 0 HA LEU A 31 2.894 -1.400 4.127 1.00 54.04 H new ATOM 0 HB2 LEU A 31 0.582 -0.474 4.526 1.00 2.42 H new ATOM 0 HB3 LEU A 31 1.093 1.030 3.786 1.00 2.42 H new ATOM 0 HG LEU A 31 1.606 -0.227 1.660 1.00 45.31 H new ATOM 0 HD11 LEU A 31 0.694 -2.522 1.371 1.00 21.12 H new ATOM 0 HD12 LEU A 31 1.979 -2.463 2.602 1.00 21.12 H new ATOM 0 HD13 LEU A 31 0.273 -2.561 3.100 1.00 21.12 H new ATOM 0 HD21 LEU A 31 -0.729 -0.530 0.926 1.00 72.24 H new ATOM 0 HD22 LEU A 31 -1.266 -0.437 2.621 1.00 72.24 H new ATOM 0 HD23 LEU A 31 -0.502 0.973 1.850 1.00 72.24 H new ATOM 539 N GLN A 32 4.823 -0.233 2.966 1.00 52.33 N ATOM 540 CA GLN A 32 5.878 0.364 2.138 1.00 4.45 C ATOM 541 C GLN A 32 5.556 0.183 0.648 1.00 61.44 C ATOM 542 O GLN A 32 5.650 -0.932 0.108 1.00 50.15 O ATOM 543 CB GLN A 32 7.262 -0.249 2.489 1.00 43.35 C ATOM 544 CG GLN A 32 7.684 -0.031 3.958 1.00 14.43 C ATOM 545 CD GLN A 32 9.116 -0.473 4.275 1.00 74.13 C ATOM 546 OE1 GLN A 32 9.641 -1.416 3.684 1.00 52.14 O ATOM 547 NE2 GLN A 32 9.764 0.215 5.209 1.00 25.15 N ATOM 0 H GLN A 32 5.007 -1.201 3.230 1.00 52.33 H new ATOM 0 HA GLN A 32 5.922 1.433 2.348 1.00 4.45 H new ATOM 0 HB2 GLN A 32 7.238 -1.319 2.282 1.00 43.35 H new ATOM 0 HB3 GLN A 32 8.018 0.185 1.835 1.00 43.35 H new ATOM 0 HG2 GLN A 32 7.581 1.027 4.200 1.00 14.43 H new ATOM 0 HG3 GLN A 32 6.997 -0.575 4.606 1.00 14.43 H new ATOM 0 HE21 GLN A 32 9.303 0.992 5.682 1.00 25.15 H new ATOM 0 HE22 GLN A 32 10.723 -0.034 5.453 1.00 25.15 H new ATOM 556 N VAL A 33 5.130 1.287 0.010 1.00 64.35 N ATOM 557 CA VAL A 33 4.903 1.355 -1.437 1.00 43.44 C ATOM 558 C VAL A 33 6.265 1.263 -2.159 1.00 45.24 C ATOM 559 O VAL A 33 7.050 2.220 -2.139 1.00 42.35 O ATOM 560 CB VAL A 33 4.151 2.686 -1.849 1.00 62.20 C ATOM 561 CG1 VAL A 33 3.835 2.724 -3.365 1.00 61.24 C ATOM 562 CG2 VAL A 33 2.867 2.897 -1.008 1.00 12.21 C ATOM 0 H VAL A 33 4.933 2.164 0.493 1.00 64.35 H new ATOM 0 HA VAL A 33 4.265 0.521 -1.731 1.00 43.44 H new ATOM 0 HB VAL A 33 4.829 3.512 -1.636 1.00 62.20 H new ATOM 0 HG11 VAL A 33 3.319 3.653 -3.606 1.00 61.24 H new ATOM 0 HG12 VAL A 33 4.764 2.667 -3.932 1.00 61.24 H new ATOM 0 HG13 VAL A 33 3.199 1.878 -3.625 1.00 61.24 H new ATOM 0 HG21 VAL A 33 2.377 3.820 -1.318 1.00 12.21 H new ATOM 0 HG22 VAL A 33 2.190 2.057 -1.161 1.00 12.21 H new ATOM 0 HG23 VAL A 33 3.130 2.963 0.048 1.00 12.21 H new ATOM 572 N MET A 34 6.550 0.080 -2.718 1.00 25.13 N ATOM 573 CA MET A 34 7.766 -0.191 -3.512 1.00 61.33 C ATOM 574 C MET A 34 7.796 0.648 -4.803 1.00 31.34 C ATOM 575 O MET A 34 6.758 1.063 -5.317 1.00 54.31 O ATOM 576 CB MET A 34 7.835 -1.704 -3.875 1.00 43.04 C ATOM 577 CG MET A 34 7.939 -2.688 -2.686 1.00 23.20 C ATOM 578 SD MET A 34 9.631 -2.946 -2.081 1.00 33.20 S ATOM 579 CE MET A 34 9.926 -1.491 -1.080 1.00 61.51 C ATOM 0 H MET A 34 5.937 -0.731 -2.633 1.00 25.13 H new ATOM 0 HA MET A 34 8.629 0.085 -2.905 1.00 61.33 H new ATOM 0 HB2 MET A 34 6.947 -1.958 -4.453 1.00 43.04 H new ATOM 0 HB3 MET A 34 8.695 -1.861 -4.526 1.00 43.04 H new ATOM 0 HG2 MET A 34 7.325 -2.316 -1.866 1.00 23.20 H new ATOM 0 HG3 MET A 34 7.522 -3.649 -2.987 1.00 23.20 H new ATOM 0 HE1 MET A 34 10.562 -1.754 -0.235 1.00 61.51 H new ATOM 0 HE2 MET A 34 10.420 -0.729 -1.683 1.00 61.51 H new ATOM 0 HE3 MET A 34 8.976 -1.103 -0.713 1.00 61.51 H new ATOM 589 N TRP A 35 9.011 0.863 -5.319 1.00 54.01 N ATOM 590 CA TRP A 35 9.251 1.592 -6.582 1.00 74.15 C ATOM 591 C TRP A 35 8.947 0.716 -7.809 1.00 73.21 C ATOM 592 O TRP A 35 8.846 1.221 -8.935 1.00 45.32 O ATOM 593 CB TRP A 35 10.712 2.101 -6.612 1.00 43.21 C ATOM 594 CG TRP A 35 11.777 1.037 -6.386 1.00 22.11 C ATOM 595 CD1 TRP A 35 12.429 0.302 -7.339 1.00 24.44 C ATOM 596 CD2 TRP A 35 12.321 0.608 -5.119 1.00 73.43 C ATOM 597 NE1 TRP A 35 13.331 -0.545 -6.748 1.00 21.13 N ATOM 598 CE2 TRP A 35 13.285 -0.377 -5.391 1.00 74.21 C ATOM 599 CE3 TRP A 35 12.082 0.965 -3.784 1.00 22.02 C ATOM 600 CZ2 TRP A 35 14.008 -1.012 -4.384 1.00 11.51 C ATOM 601 CZ3 TRP A 35 12.802 0.337 -2.785 1.00 42.44 C ATOM 602 CH2 TRP A 35 13.757 -0.640 -3.091 1.00 3.14 C ATOM 0 H TRP A 35 9.867 0.535 -4.872 1.00 54.01 H new ATOM 0 HA TRP A 35 8.573 2.444 -6.625 1.00 74.15 H new ATOM 0 HB2 TRP A 35 10.894 2.575 -7.577 1.00 43.21 H new ATOM 0 HB3 TRP A 35 10.826 2.873 -5.851 1.00 43.21 H new ATOM 0 HD1 TRP A 35 12.258 0.378 -8.403 1.00 24.44 H new ATOM 0 HE1 TRP A 35 13.940 -1.197 -7.242 1.00 21.13 H new ATOM 0 HE3 TRP A 35 11.347 1.718 -3.540 1.00 22.02 H new ATOM 0 HZ2 TRP A 35 14.741 -1.771 -4.615 1.00 11.51 H new ATOM 0 HZ3 TRP A 35 12.625 0.604 -1.754 1.00 42.44 H new ATOM 0 HH2 TRP A 35 14.307 -1.110 -2.290 1.00 3.14 H new ATOM 613 N LYS A 36 8.811 -0.599 -7.578 1.00 5.45 N ATOM 614 CA LYS A 36 8.506 -1.565 -8.628 1.00 51.12 C ATOM 615 C LYS A 36 7.017 -1.505 -8.962 1.00 1.51 C ATOM 616 O LYS A 36 6.183 -1.869 -8.137 1.00 43.23 O ATOM 617 CB LYS A 36 8.903 -2.995 -8.189 1.00 42.21 C ATOM 618 CG LYS A 36 10.376 -3.115 -7.746 1.00 30.55 C ATOM 619 CD LYS A 36 10.725 -4.531 -7.244 1.00 5.02 C ATOM 620 CE LYS A 36 12.171 -4.648 -6.735 1.00 45.23 C ATOM 621 NZ LYS A 36 12.441 -5.998 -6.167 1.00 75.01 N ATOM 0 H LYS A 36 8.911 -1.017 -6.653 1.00 5.45 H new ATOM 0 HA LYS A 36 9.083 -1.313 -9.517 1.00 51.12 H new ATOM 0 HB2 LYS A 36 8.258 -3.307 -7.367 1.00 42.21 H new ATOM 0 HB3 LYS A 36 8.723 -3.683 -9.015 1.00 42.21 H new ATOM 0 HG2 LYS A 36 11.026 -2.858 -8.582 1.00 30.55 H new ATOM 0 HG3 LYS A 36 10.575 -2.392 -6.954 1.00 30.55 H new ATOM 0 HD2 LYS A 36 10.040 -4.805 -6.442 1.00 5.02 H new ATOM 0 HD3 LYS A 36 10.571 -5.245 -8.053 1.00 5.02 H new ATOM 0 HE2 LYS A 36 12.863 -4.451 -7.554 1.00 45.23 H new ATOM 0 HE3 LYS A 36 12.353 -3.889 -5.974 1.00 45.23 H new ATOM 0 HZ1 LYS A 36 13.425 -6.044 -5.833 1.00 75.01 H new ATOM 0 HZ2 LYS A 36 11.796 -6.175 -5.370 1.00 75.01 H new ATOM 0 HZ3 LYS A 36 12.291 -6.720 -6.901 1.00 75.01 H new ATOM 635 N TYR A 37 6.695 -0.994 -10.149 1.00 51.32 N ATOM 636 CA TYR A 37 5.320 -0.992 -10.674 1.00 25.41 C ATOM 637 C TYR A 37 5.137 -2.134 -11.687 1.00 31.10 C ATOM 638 O TYR A 37 6.120 -2.632 -12.242 1.00 1.33 O ATOM 639 CB TYR A 37 4.956 0.401 -11.259 1.00 33.33 C ATOM 640 CG TYR A 37 5.976 1.039 -12.225 1.00 50.11 C ATOM 641 CD1 TYR A 37 6.045 0.651 -13.558 1.00 55.43 C ATOM 642 CD2 TYR A 37 6.841 2.060 -11.809 1.00 22.12 C ATOM 643 CE1 TYR A 37 6.931 1.238 -14.436 1.00 73.35 C ATOM 644 CE2 TYR A 37 7.726 2.659 -12.689 1.00 54.11 C ATOM 645 CZ TYR A 37 7.765 2.241 -14.001 1.00 34.40 C ATOM 646 OH TYR A 37 8.637 2.839 -14.891 1.00 50.50 O ATOM 0 H TYR A 37 7.376 -0.568 -10.778 1.00 51.32 H new ATOM 0 HA TYR A 37 4.621 -1.175 -9.858 1.00 25.41 H new ATOM 0 HB2 TYR A 37 4.004 0.311 -11.781 1.00 33.33 H new ATOM 0 HB3 TYR A 37 4.800 1.088 -10.427 1.00 33.33 H new ATOM 0 HD1 TYR A 37 5.389 -0.129 -13.914 1.00 55.43 H new ATOM 0 HD2 TYR A 37 6.817 2.387 -10.780 1.00 22.12 H new ATOM 0 HE1 TYR A 37 6.970 0.910 -15.464 1.00 73.35 H new ATOM 0 HE2 TYR A 37 8.381 3.448 -12.350 1.00 54.11 H new ATOM 0 HH TYR A 37 9.156 3.529 -14.427 1.00 50.50 H new ATOM 656 N LEU A 38 3.871 -2.544 -11.910 1.00 14.20 N ATOM 657 CA LEU A 38 3.516 -3.743 -12.711 1.00 34.33 C ATOM 658 C LEU A 38 3.976 -3.629 -14.186 1.00 24.42 C ATOM 659 O LEU A 38 4.225 -4.646 -14.844 1.00 24.14 O ATOM 660 CB LEU A 38 1.982 -4.007 -12.641 1.00 65.14 C ATOM 661 CG LEU A 38 1.463 -5.291 -13.385 1.00 21.31 C ATOM 662 CD1 LEU A 38 2.027 -6.584 -12.758 1.00 73.04 C ATOM 663 CD2 LEU A 38 -0.073 -5.326 -13.451 1.00 44.31 C ATOM 0 H LEU A 38 3.058 -2.052 -11.539 1.00 14.20 H new ATOM 0 HA LEU A 38 4.049 -4.588 -12.274 1.00 34.33 H new ATOM 0 HB2 LEU A 38 1.695 -4.079 -11.592 1.00 65.14 H new ATOM 0 HB3 LEU A 38 1.466 -3.140 -13.054 1.00 65.14 H new ATOM 0 HG LEU A 38 1.834 -5.238 -14.408 1.00 21.31 H new ATOM 0 HD11 LEU A 38 1.645 -7.448 -13.301 1.00 73.04 H new ATOM 0 HD12 LEU A 38 3.115 -6.572 -12.816 1.00 73.04 H new ATOM 0 HD13 LEU A 38 1.720 -6.646 -11.714 1.00 73.04 H new ATOM 0 HD21 LEU A 38 -0.394 -6.228 -13.972 1.00 44.31 H new ATOM 0 HD22 LEU A 38 -0.481 -5.326 -12.440 1.00 44.31 H new ATOM 0 HD23 LEU A 38 -0.434 -4.449 -13.988 1.00 44.31 H new ATOM 675 N GLU A 39 4.088 -2.389 -14.690 1.00 54.33 N ATOM 676 CA GLU A 39 4.533 -2.109 -16.075 1.00 24.32 C ATOM 677 C GLU A 39 6.012 -2.551 -16.302 1.00 4.44 C ATOM 678 O GLU A 39 6.418 -2.831 -17.438 1.00 43.31 O ATOM 679 CB GLU A 39 4.327 -0.600 -16.370 1.00 24.25 C ATOM 680 CG GLU A 39 4.759 -0.114 -17.767 1.00 43.01 C ATOM 681 CD GLU A 39 4.651 1.410 -17.916 1.00 62.31 C ATOM 682 OE1 GLU A 39 3.565 1.910 -18.291 1.00 51.10 O ATOM 683 OE2 GLU A 39 5.641 2.117 -17.624 1.00 3.43 O ATOM 0 H GLU A 39 3.874 -1.549 -14.153 1.00 54.33 H new ATOM 0 HA GLU A 39 3.933 -2.692 -16.773 1.00 24.32 H new ATOM 0 HB2 GLU A 39 3.271 -0.366 -16.238 1.00 24.25 H new ATOM 0 HB3 GLU A 39 4.876 -0.027 -15.623 1.00 24.25 H new ATOM 0 HG2 GLU A 39 5.788 -0.423 -17.954 1.00 43.01 H new ATOM 0 HG3 GLU A 39 4.139 -0.595 -18.524 1.00 43.01 H new ATOM 690 N GLN A 40 6.798 -2.631 -15.201 1.00 63.35 N ATOM 691 CA GLN A 40 8.177 -3.180 -15.221 1.00 2.42 C ATOM 692 C GLN A 40 8.150 -4.688 -15.526 1.00 22.53 C ATOM 693 O GLN A 40 7.426 -5.438 -14.871 1.00 24.42 O ATOM 694 CB GLN A 40 8.881 -2.954 -13.853 1.00 51.42 C ATOM 695 CG GLN A 40 9.126 -1.480 -13.495 1.00 2.40 C ATOM 696 CD GLN A 40 9.726 -1.275 -12.100 1.00 64.21 C ATOM 697 OE1 GLN A 40 9.466 -0.122 -11.501 1.00 41.45 O flip ATOM 698 NE2 GLN A 40 10.436 -2.134 -11.575 1.00 5.24 N flip ATOM 0 H GLN A 40 6.496 -2.319 -14.278 1.00 63.35 H new ATOM 0 HA GLN A 40 8.731 -2.658 -16.001 1.00 2.42 H new ATOM 0 HB2 GLN A 40 8.276 -3.409 -13.069 1.00 51.42 H new ATOM 0 HB3 GLN A 40 9.838 -3.476 -13.861 1.00 51.42 H new ATOM 0 HG2 GLN A 40 9.795 -1.042 -14.236 1.00 2.40 H new ATOM 0 HG3 GLN A 40 8.182 -0.939 -13.558 1.00 2.40 H new ATOM 0 HE21 GLN A 40 10.618 -3.012 -12.061 1.00 5.24 H new ATOM 0 HE22 GLN A 40 10.842 -1.967 -10.654 1.00 5.24 H new ATOM 707 N ALA A 41 8.960 -5.117 -16.507 1.00 24.03 N ATOM 708 CA ALA A 41 9.120 -6.538 -16.884 1.00 71.45 C ATOM 709 C ALA A 41 9.884 -7.334 -15.800 1.00 44.24 C ATOM 710 O ALA A 41 9.838 -8.570 -15.768 1.00 20.21 O ATOM 711 CB ALA A 41 9.838 -6.630 -18.246 1.00 31.14 C ATOM 0 H ALA A 41 9.530 -4.484 -17.069 1.00 24.03 H new ATOM 0 HA ALA A 41 8.131 -6.987 -16.969 1.00 71.45 H new ATOM 0 HB1 ALA A 41 9.956 -7.677 -18.525 1.00 31.14 H new ATOM 0 HB2 ALA A 41 9.247 -6.117 -19.004 1.00 31.14 H new ATOM 0 HB3 ALA A 41 10.819 -6.161 -18.173 1.00 31.14 H new ATOM 717 N SER A 42 10.579 -6.596 -14.914 1.00 11.20 N ATOM 718 CA SER A 42 11.336 -7.158 -13.778 1.00 63.53 C ATOM 719 C SER A 42 10.439 -7.377 -12.544 1.00 53.42 C ATOM 720 O SER A 42 10.941 -7.726 -11.472 1.00 3.13 O ATOM 721 CB SER A 42 12.493 -6.196 -13.419 1.00 23.04 C ATOM 722 OG SER A 42 13.317 -5.925 -14.538 1.00 52.44 O ATOM 0 H SER A 42 10.632 -5.579 -14.967 1.00 11.20 H new ATOM 0 HA SER A 42 11.728 -8.131 -14.076 1.00 63.53 H new ATOM 0 HB2 SER A 42 12.083 -5.262 -13.034 1.00 23.04 H new ATOM 0 HB3 SER A 42 13.095 -6.632 -12.622 1.00 23.04 H new ATOM 0 HG SER A 42 14.036 -5.313 -14.274 1.00 52.44 H new ATOM 728 N PHE A 43 9.118 -7.149 -12.691 1.00 74.02 N ATOM 729 CA PHE A 43 8.155 -7.296 -11.589 1.00 41.42 C ATOM 730 C PHE A 43 8.016 -8.797 -11.202 1.00 64.15 C ATOM 731 O PHE A 43 7.671 -9.614 -12.061 1.00 3.35 O ATOM 732 CB PHE A 43 6.783 -6.691 -12.002 1.00 74.13 C ATOM 733 CG PHE A 43 5.897 -6.347 -10.821 1.00 1.43 C ATOM 734 CD1 PHE A 43 6.139 -5.187 -10.093 1.00 14.12 C ATOM 735 CD2 PHE A 43 4.851 -7.174 -10.417 1.00 11.35 C ATOM 736 CE1 PHE A 43 5.369 -4.866 -9.009 1.00 15.45 C ATOM 737 CE2 PHE A 43 4.077 -6.844 -9.328 1.00 11.24 C ATOM 738 CZ PHE A 43 4.341 -5.686 -8.624 1.00 42.45 C ATOM 0 H PHE A 43 8.694 -6.860 -13.573 1.00 74.02 H new ATOM 0 HA PHE A 43 8.516 -6.754 -10.715 1.00 41.42 H new ATOM 0 HB2 PHE A 43 6.954 -5.791 -12.593 1.00 74.13 H new ATOM 0 HB3 PHE A 43 6.260 -7.400 -12.645 1.00 74.13 H new ATOM 0 HD1 PHE A 43 6.945 -4.531 -10.387 1.00 14.12 H new ATOM 0 HD2 PHE A 43 4.646 -8.083 -10.964 1.00 11.35 H new ATOM 0 HE1 PHE A 43 5.572 -3.962 -8.454 1.00 15.45 H new ATOM 0 HE2 PHE A 43 3.265 -7.489 -9.025 1.00 11.24 H new ATOM 0 HZ PHE A 43 3.736 -5.426 -7.768 1.00 42.45 H new ATOM 748 N PRO A 44 8.260 -9.174 -9.901 1.00 64.43 N ATOM 749 CA PRO A 44 8.385 -10.601 -9.476 1.00 45.35 C ATOM 750 C PRO A 44 7.042 -11.379 -9.411 1.00 43.21 C ATOM 751 O PRO A 44 7.023 -12.548 -9.008 1.00 33.24 O ATOM 752 CB PRO A 44 9.047 -10.476 -8.076 1.00 14.50 C ATOM 753 CG PRO A 44 8.549 -9.169 -7.538 1.00 50.15 C ATOM 754 CD PRO A 44 8.421 -8.245 -8.739 1.00 73.44 C ATOM 0 HA PRO A 44 8.956 -11.186 -10.197 1.00 45.35 H new ATOM 0 HB2 PRO A 44 8.764 -11.305 -7.428 1.00 14.50 H new ATOM 0 HB3 PRO A 44 10.134 -10.486 -8.149 1.00 14.50 H new ATOM 0 HG2 PRO A 44 7.589 -9.293 -7.037 1.00 50.15 H new ATOM 0 HG3 PRO A 44 9.242 -8.760 -6.803 1.00 50.15 H new ATOM 0 HD2 PRO A 44 7.564 -7.579 -8.640 1.00 73.44 H new ATOM 0 HD3 PRO A 44 9.303 -7.615 -8.852 1.00 73.44 H new ATOM 762 N MET A 45 5.929 -10.723 -9.797 1.00 63.11 N ATOM 763 CA MET A 45 4.586 -11.346 -9.883 1.00 44.31 C ATOM 764 C MET A 45 3.955 -11.047 -11.259 1.00 40.54 C ATOM 765 O MET A 45 4.333 -10.076 -11.930 1.00 2.24 O ATOM 766 CB MET A 45 3.656 -10.817 -8.743 1.00 43.04 C ATOM 767 CG MET A 45 4.052 -11.246 -7.319 1.00 11.22 C ATOM 768 SD MET A 45 3.003 -10.508 -6.039 1.00 74.04 S ATOM 769 CE MET A 45 3.410 -8.768 -6.201 1.00 63.44 C ATOM 0 H MET A 45 5.934 -9.738 -10.061 1.00 63.11 H new ATOM 0 HA MET A 45 4.697 -12.424 -9.765 1.00 44.31 H new ATOM 0 HB2 MET A 45 3.640 -9.728 -8.785 1.00 43.04 H new ATOM 0 HB3 MET A 45 2.639 -11.158 -8.938 1.00 43.04 H new ATOM 0 HG2 MET A 45 3.997 -12.332 -7.244 1.00 11.22 H new ATOM 0 HG3 MET A 45 5.090 -10.966 -7.137 1.00 11.22 H new ATOM 0 HE1 MET A 45 3.104 -8.237 -5.299 1.00 63.44 H new ATOM 0 HE2 MET A 45 4.485 -8.657 -6.340 1.00 63.44 H new ATOM 0 HE3 MET A 45 2.888 -8.351 -7.062 1.00 63.44 H new ATOM 779 N ASN A 46 2.999 -11.894 -11.671 1.00 2.42 N ATOM 780 CA ASN A 46 2.158 -11.664 -12.866 1.00 11.50 C ATOM 781 C ASN A 46 1.027 -10.675 -12.528 1.00 43.34 C ATOM 782 O ASN A 46 0.900 -10.263 -11.379 1.00 70.34 O ATOM 783 CB ASN A 46 1.584 -13.007 -13.389 1.00 33.05 C ATOM 784 CG ASN A 46 2.615 -13.850 -14.138 1.00 11.22 C ATOM 785 OD1 ASN A 46 2.727 -13.780 -15.361 1.00 5.21 O ATOM 786 ND2 ASN A 46 3.387 -14.634 -13.414 1.00 13.25 N ATOM 0 H ASN A 46 2.783 -12.764 -11.185 1.00 2.42 H new ATOM 0 HA ASN A 46 2.771 -11.230 -13.656 1.00 11.50 H new ATOM 0 HB2 ASN A 46 1.196 -13.581 -12.548 1.00 33.05 H new ATOM 0 HB3 ASN A 46 0.742 -12.802 -14.050 1.00 33.05 H new ATOM 0 HD21 ASN A 46 4.102 -15.204 -13.866 1.00 13.25 H new ATOM 0 HD22 ASN A 46 3.270 -14.671 -12.401 1.00 13.25 H new ATOM 793 N GLU A 47 0.206 -10.318 -13.534 1.00 61.24 N ATOM 794 CA GLU A 47 -0.891 -9.337 -13.373 1.00 70.41 C ATOM 795 C GLU A 47 -1.977 -9.848 -12.401 1.00 51.32 C ATOM 796 O GLU A 47 -2.487 -9.083 -11.577 1.00 62.12 O ATOM 797 CB GLU A 47 -1.513 -8.998 -14.748 1.00 35.25 C ATOM 798 CG GLU A 47 -0.514 -8.408 -15.762 1.00 52.41 C ATOM 799 CD GLU A 47 -1.174 -8.045 -17.101 1.00 14.33 C ATOM 800 OE1 GLU A 47 -1.351 -8.946 -17.952 1.00 21.22 O ATOM 801 OE2 GLU A 47 -1.535 -6.866 -17.305 1.00 45.14 O ATOM 0 H GLU A 47 0.281 -10.698 -14.478 1.00 61.24 H new ATOM 0 HA GLU A 47 -0.465 -8.431 -12.942 1.00 70.41 H new ATOM 0 HB2 GLU A 47 -1.951 -9.903 -15.170 1.00 35.25 H new ATOM 0 HB3 GLU A 47 -2.327 -8.288 -14.601 1.00 35.25 H new ATOM 0 HG2 GLU A 47 -0.053 -7.517 -15.335 1.00 52.41 H new ATOM 0 HG3 GLU A 47 0.286 -9.127 -15.939 1.00 52.41 H new ATOM 808 N THR A 48 -2.317 -11.151 -12.513 1.00 74.23 N ATOM 809 CA THR A 48 -3.322 -11.793 -11.644 1.00 61.01 C ATOM 810 C THR A 48 -2.764 -11.986 -10.212 1.00 13.22 C ATOM 811 O THR A 48 -3.470 -11.723 -9.239 1.00 52.42 O ATOM 812 CB THR A 48 -3.803 -13.161 -12.243 1.00 4.31 C ATOM 813 OG1 THR A 48 -4.132 -12.986 -13.634 1.00 71.55 O ATOM 814 CG2 THR A 48 -5.033 -13.734 -11.507 1.00 21.41 C ATOM 0 H THR A 48 -1.906 -11.780 -13.202 1.00 74.23 H new ATOM 0 HA THR A 48 -4.187 -11.132 -11.590 1.00 61.01 H new ATOM 0 HB THR A 48 -2.984 -13.870 -12.121 1.00 4.31 H new ATOM 0 HG1 THR A 48 -4.431 -13.840 -14.009 1.00 71.55 H new ATOM 0 HG21 THR A 48 -5.322 -14.681 -11.964 1.00 21.41 H new ATOM 0 HG22 THR A 48 -4.786 -13.898 -10.458 1.00 21.41 H new ATOM 0 HG23 THR A 48 -5.861 -13.029 -11.579 1.00 21.41 H new ATOM 822 N GLU A 49 -1.478 -12.412 -10.103 1.00 32.50 N ATOM 823 CA GLU A 49 -0.785 -12.567 -8.797 1.00 73.20 C ATOM 824 C GLU A 49 -0.669 -11.213 -8.074 1.00 34.43 C ATOM 825 O GLU A 49 -0.771 -11.141 -6.847 1.00 42.43 O ATOM 826 CB GLU A 49 0.634 -13.170 -8.969 1.00 31.30 C ATOM 827 CG GLU A 49 0.674 -14.575 -9.581 1.00 20.20 C ATOM 828 CD GLU A 49 2.092 -15.163 -9.617 1.00 54.10 C ATOM 829 OE1 GLU A 49 2.912 -14.694 -10.425 1.00 10.35 O ATOM 830 OE2 GLU A 49 2.398 -16.081 -8.821 1.00 51.30 O ATOM 0 H GLU A 49 -0.899 -12.655 -10.907 1.00 32.50 H new ATOM 0 HA GLU A 49 -1.387 -13.251 -8.199 1.00 73.20 H new ATOM 0 HB2 GLU A 49 1.223 -12.501 -9.596 1.00 31.30 H new ATOM 0 HB3 GLU A 49 1.119 -13.202 -7.993 1.00 31.30 H new ATOM 0 HG2 GLU A 49 0.025 -15.236 -9.007 1.00 20.20 H new ATOM 0 HG3 GLU A 49 0.274 -14.537 -10.594 1.00 20.20 H new ATOM 837 N TYR A 50 -0.449 -10.150 -8.872 1.00 12.43 N ATOM 838 CA TYR A 50 -0.330 -8.767 -8.388 1.00 72.11 C ATOM 839 C TYR A 50 -1.679 -8.261 -7.856 1.00 33.41 C ATOM 840 O TYR A 50 -1.714 -7.574 -6.841 1.00 73.02 O ATOM 841 CB TYR A 50 0.202 -7.836 -9.518 1.00 12.42 C ATOM 842 CG TYR A 50 0.128 -6.334 -9.205 1.00 33.22 C ATOM 843 CD1 TYR A 50 0.838 -5.780 -8.135 1.00 72.42 C ATOM 844 CD2 TYR A 50 -0.680 -5.479 -9.959 1.00 72.44 C ATOM 845 CE1 TYR A 50 0.736 -4.441 -7.831 1.00 34.04 C ATOM 846 CE2 TYR A 50 -0.772 -4.139 -9.668 1.00 12.24 C ATOM 847 CZ TYR A 50 -0.068 -3.627 -8.602 1.00 14.53 C ATOM 848 OH TYR A 50 -0.207 -2.303 -8.278 1.00 55.41 O ATOM 0 H TYR A 50 -0.348 -10.232 -9.884 1.00 12.43 H new ATOM 0 HA TYR A 50 0.386 -8.751 -7.567 1.00 72.11 H new ATOM 0 HB2 TYR A 50 1.239 -8.098 -9.727 1.00 12.42 H new ATOM 0 HB3 TYR A 50 -0.366 -8.031 -10.428 1.00 12.42 H new ATOM 0 HD1 TYR A 50 1.477 -6.413 -7.537 1.00 72.42 H new ATOM 0 HD2 TYR A 50 -1.244 -5.880 -10.788 1.00 72.44 H new ATOM 0 HE1 TYR A 50 1.282 -4.031 -6.994 1.00 34.04 H new ATOM 0 HE2 TYR A 50 -1.392 -3.493 -10.271 1.00 12.24 H new ATOM 0 HH TYR A 50 0.464 -2.058 -7.607 1.00 55.41 H new ATOM 858 N GLN A 51 -2.782 -8.604 -8.543 1.00 62.31 N ATOM 859 CA GLN A 51 -4.129 -8.142 -8.153 1.00 60.41 C ATOM 860 C GLN A 51 -4.650 -8.947 -6.930 1.00 34.32 C ATOM 861 O GLN A 51 -5.377 -8.413 -6.093 1.00 25.45 O ATOM 862 CB GLN A 51 -5.094 -8.200 -9.371 1.00 12.14 C ATOM 863 CG GLN A 51 -6.500 -7.586 -9.141 1.00 14.35 C ATOM 864 CD GLN A 51 -6.479 -6.225 -8.430 1.00 14.11 C ATOM 865 OE1 GLN A 51 -6.594 -6.149 -7.213 1.00 61.14 O ATOM 866 NE2 GLN A 51 -6.287 -5.144 -9.163 1.00 3.14 N ATOM 0 H GLN A 51 -2.769 -9.199 -9.371 1.00 62.31 H new ATOM 0 HA GLN A 51 -4.077 -7.099 -7.840 1.00 60.41 H new ATOM 0 HB2 GLN A 51 -4.625 -7.684 -10.209 1.00 12.14 H new ATOM 0 HB3 GLN A 51 -5.216 -9.242 -9.666 1.00 12.14 H new ATOM 0 HG2 GLN A 51 -6.998 -7.474 -10.104 1.00 14.35 H new ATOM 0 HG3 GLN A 51 -7.097 -8.282 -8.553 1.00 14.35 H new ATOM 0 HE21 GLN A 51 -6.193 -5.224 -10.175 1.00 3.14 H new ATOM 0 HE22 GLN A 51 -6.232 -4.228 -8.717 1.00 3.14 H new ATOM 875 N GLU A 52 -4.232 -10.223 -6.827 1.00 33.35 N ATOM 876 CA GLU A 52 -4.451 -11.053 -5.617 1.00 52.33 C ATOM 877 C GLU A 52 -3.646 -10.494 -4.430 1.00 41.11 C ATOM 878 O GLU A 52 -4.090 -10.556 -3.279 1.00 33.15 O ATOM 879 CB GLU A 52 -4.034 -12.519 -5.887 1.00 60.42 C ATOM 880 CG GLU A 52 -4.974 -13.283 -6.838 1.00 10.41 C ATOM 881 CD GLU A 52 -4.444 -14.675 -7.208 1.00 64.41 C ATOM 882 OE1 GLU A 52 -4.302 -15.533 -6.301 1.00 62.04 O ATOM 883 OE2 GLU A 52 -4.145 -14.923 -8.396 1.00 42.03 O ATOM 0 H GLU A 52 -3.735 -10.709 -7.573 1.00 33.35 H new ATOM 0 HA GLU A 52 -5.512 -11.025 -5.370 1.00 52.33 H new ATOM 0 HB2 GLU A 52 -3.028 -12.526 -6.307 1.00 60.42 H new ATOM 0 HB3 GLU A 52 -3.987 -13.051 -4.937 1.00 60.42 H new ATOM 0 HG2 GLU A 52 -5.953 -13.385 -6.369 1.00 10.41 H new ATOM 0 HG3 GLU A 52 -5.115 -12.700 -7.748 1.00 10.41 H new ATOM 890 N HIS A 53 -2.447 -9.969 -4.746 1.00 23.25 N ATOM 891 CA HIS A 53 -1.555 -9.323 -3.776 1.00 31.14 C ATOM 892 C HIS A 53 -2.202 -8.036 -3.245 1.00 50.33 C ATOM 893 O HIS A 53 -2.221 -7.808 -2.042 1.00 40.01 O ATOM 894 CB HIS A 53 -0.180 -9.022 -4.432 1.00 52.43 C ATOM 895 CG HIS A 53 0.778 -8.255 -3.570 1.00 23.25 C ATOM 896 ND1 HIS A 53 1.463 -8.827 -2.527 1.00 33.45 N ATOM 897 CD2 HIS A 53 1.161 -6.957 -3.601 1.00 44.12 C ATOM 898 CE1 HIS A 53 2.224 -7.918 -1.961 1.00 43.04 C ATOM 899 NE2 HIS A 53 2.061 -6.778 -2.591 1.00 64.30 N ATOM 0 H HIS A 53 -2.070 -9.984 -5.694 1.00 23.25 H new ATOM 0 HA HIS A 53 -1.391 -9.998 -2.936 1.00 31.14 H new ATOM 0 HB2 HIS A 53 0.285 -9.966 -4.715 1.00 52.43 H new ATOM 0 HB3 HIS A 53 -0.348 -8.461 -5.351 1.00 52.43 H new ATOM 0 HD2 HIS A 53 0.818 -6.204 -4.295 1.00 44.12 H new ATOM 0 HE1 HIS A 53 2.877 -8.082 -1.116 1.00 43.04 H new ATOM 0 HE2 HIS A 53 2.530 -5.902 -2.363 1.00 64.30 H new ATOM 908 N LEU A 54 -2.740 -7.224 -4.174 1.00 30.41 N ATOM 909 CA LEU A 54 -3.426 -5.959 -3.863 1.00 61.12 C ATOM 910 C LEU A 54 -4.640 -6.204 -2.971 1.00 4.13 C ATOM 911 O LEU A 54 -4.848 -5.492 -2.005 1.00 13.34 O ATOM 912 CB LEU A 54 -3.904 -5.265 -5.156 1.00 34.13 C ATOM 913 CG LEU A 54 -2.811 -4.686 -6.087 1.00 2.04 C ATOM 914 CD1 LEU A 54 -3.439 -4.267 -7.421 1.00 42.13 C ATOM 915 CD2 LEU A 54 -2.056 -3.515 -5.420 1.00 74.25 C ATOM 0 H LEU A 54 -2.709 -7.431 -5.172 1.00 30.41 H new ATOM 0 HA LEU A 54 -2.711 -5.321 -3.343 1.00 61.12 H new ATOM 0 HB2 LEU A 54 -4.492 -5.983 -5.729 1.00 34.13 H new ATOM 0 HB3 LEU A 54 -4.576 -4.454 -4.877 1.00 34.13 H new ATOM 0 HG LEU A 54 -2.071 -5.462 -6.279 1.00 2.04 H new ATOM 0 HD11 LEU A 54 -2.667 -3.860 -8.074 1.00 42.13 H new ATOM 0 HD12 LEU A 54 -3.896 -5.135 -7.896 1.00 42.13 H new ATOM 0 HD13 LEU A 54 -4.201 -3.508 -7.242 1.00 42.13 H new ATOM 0 HD21 LEU A 54 -1.297 -3.135 -6.104 1.00 74.25 H new ATOM 0 HD22 LEU A 54 -2.760 -2.718 -5.180 1.00 74.25 H new ATOM 0 HD23 LEU A 54 -1.578 -3.865 -4.505 1.00 74.25 H new ATOM 927 N ASP A 55 -5.443 -7.212 -3.346 1.00 43.13 N ATOM 928 CA ASP A 55 -6.709 -7.533 -2.666 1.00 13.12 C ATOM 929 C ASP A 55 -6.460 -8.137 -1.277 1.00 55.42 C ATOM 930 O ASP A 55 -7.254 -7.919 -0.358 1.00 73.53 O ATOM 931 CB ASP A 55 -7.566 -8.479 -3.537 1.00 42.02 C ATOM 932 CG ASP A 55 -8.996 -8.638 -2.988 1.00 54.43 C ATOM 933 OD1 ASP A 55 -9.805 -7.688 -3.142 1.00 22.10 O ATOM 934 OD2 ASP A 55 -9.322 -9.700 -2.409 1.00 4.02 O ATOM 0 H ASP A 55 -5.233 -7.829 -4.131 1.00 43.13 H new ATOM 0 HA ASP A 55 -7.261 -6.604 -2.524 1.00 13.12 H new ATOM 0 HB2 ASP A 55 -7.610 -8.092 -4.555 1.00 42.02 H new ATOM 0 HB3 ASP A 55 -7.087 -9.457 -3.588 1.00 42.02 H new ATOM 939 N SER A 56 -5.352 -8.888 -1.139 1.00 25.24 N ATOM 940 CA SER A 56 -4.912 -9.440 0.152 1.00 54.24 C ATOM 941 C SER A 56 -4.460 -8.309 1.085 1.00 10.53 C ATOM 942 O SER A 56 -4.864 -8.265 2.253 1.00 73.40 O ATOM 943 CB SER A 56 -3.771 -10.458 -0.049 1.00 34.13 C ATOM 944 OG SER A 56 -3.366 -11.016 1.184 1.00 1.24 O ATOM 0 H SER A 56 -4.739 -9.128 -1.918 1.00 25.24 H new ATOM 0 HA SER A 56 -5.755 -9.958 0.610 1.00 54.24 H new ATOM 0 HB2 SER A 56 -4.101 -11.251 -0.720 1.00 34.13 H new ATOM 0 HB3 SER A 56 -2.922 -9.969 -0.527 1.00 34.13 H new ATOM 0 HG SER A 56 -2.643 -11.659 1.030 1.00 1.24 H new ATOM 950 N VAL A 57 -3.643 -7.388 0.533 1.00 52.31 N ATOM 951 CA VAL A 57 -3.174 -6.191 1.243 1.00 51.12 C ATOM 952 C VAL A 57 -4.377 -5.335 1.676 1.00 3.44 C ATOM 953 O VAL A 57 -4.476 -4.950 2.832 1.00 2.12 O ATOM 954 CB VAL A 57 -2.159 -5.344 0.363 1.00 20.33 C ATOM 955 CG1 VAL A 57 -1.891 -3.942 0.965 1.00 63.20 C ATOM 956 CG2 VAL A 57 -0.822 -6.108 0.167 1.00 11.33 C ATOM 0 H VAL A 57 -3.292 -7.459 -0.422 1.00 52.31 H new ATOM 0 HA VAL A 57 -2.631 -6.514 2.131 1.00 51.12 H new ATOM 0 HB VAL A 57 -2.630 -5.200 -0.610 1.00 20.33 H new ATOM 0 HG11 VAL A 57 -1.191 -3.400 0.328 1.00 63.20 H new ATOM 0 HG12 VAL A 57 -2.828 -3.388 1.028 1.00 63.20 H new ATOM 0 HG13 VAL A 57 -1.465 -4.050 1.963 1.00 63.20 H new ATOM 0 HG21 VAL A 57 -0.145 -5.506 -0.439 1.00 11.33 H new ATOM 0 HG22 VAL A 57 -0.367 -6.300 1.139 1.00 11.33 H new ATOM 0 HG23 VAL A 57 -1.015 -7.055 -0.336 1.00 11.33 H new ATOM 966 N ALA A 58 -5.311 -5.146 0.741 1.00 11.15 N ATOM 967 CA ALA A 58 -6.522 -4.330 0.926 1.00 0.54 C ATOM 968 C ALA A 58 -7.476 -4.951 1.963 1.00 40.41 C ATOM 969 O ALA A 58 -8.182 -4.230 2.679 1.00 45.41 O ATOM 970 CB ALA A 58 -7.227 -4.177 -0.423 1.00 34.14 C ATOM 0 H ALA A 58 -5.249 -5.563 -0.188 1.00 11.15 H new ATOM 0 HA ALA A 58 -6.228 -3.352 1.307 1.00 0.54 H new ATOM 0 HB1 ALA A 58 -8.126 -3.574 -0.297 1.00 34.14 H new ATOM 0 HB2 ALA A 58 -6.557 -3.687 -1.130 1.00 34.14 H new ATOM 0 HB3 ALA A 58 -7.501 -5.161 -0.804 1.00 34.14 H new ATOM 976 N ASN A 59 -7.473 -6.298 2.013 1.00 10.31 N ATOM 977 CA ASN A 59 -8.245 -7.094 2.983 1.00 11.20 C ATOM 978 C ASN A 59 -7.688 -6.870 4.398 1.00 31.13 C ATOM 979 O ASN A 59 -8.449 -6.757 5.358 1.00 24.42 O ATOM 980 CB ASN A 59 -8.184 -8.600 2.602 1.00 51.40 C ATOM 981 CG ASN A 59 -9.042 -9.515 3.483 1.00 32.14 C ATOM 982 OD1 ASN A 59 -10.099 -9.126 3.974 1.00 2.05 O ATOM 983 ND2 ASN A 59 -8.606 -10.745 3.674 1.00 63.23 N ATOM 0 H ASN A 59 -6.925 -6.870 1.370 1.00 10.31 H new ATOM 0 HA ASN A 59 -9.287 -6.776 2.964 1.00 11.20 H new ATOM 0 HB2 ASN A 59 -8.502 -8.712 1.566 1.00 51.40 H new ATOM 0 HB3 ASN A 59 -7.148 -8.933 2.655 1.00 51.40 H new ATOM 0 HD21 ASN A 59 -9.150 -11.397 4.240 1.00 63.23 H new ATOM 0 HD22 ASN A 59 -7.725 -11.045 3.256 1.00 63.23 H new ATOM 990 N TYR A 60 -6.342 -6.793 4.499 1.00 73.11 N ATOM 991 CA TYR A 60 -5.637 -6.493 5.761 1.00 2.23 C ATOM 992 C TYR A 60 -5.805 -5.023 6.161 1.00 22.04 C ATOM 993 O TYR A 60 -5.881 -4.716 7.345 1.00 44.15 O ATOM 994 CB TYR A 60 -4.127 -6.827 5.659 1.00 43.01 C ATOM 995 CG TYR A 60 -3.797 -8.316 5.719 1.00 63.43 C ATOM 996 CD1 TYR A 60 -4.123 -9.054 6.852 1.00 12.41 C ATOM 997 CD2 TYR A 60 -3.155 -8.981 4.669 1.00 71.53 C ATOM 998 CE1 TYR A 60 -3.825 -10.390 6.937 1.00 55.13 C ATOM 999 CE2 TYR A 60 -2.855 -10.326 4.748 1.00 10.23 C ATOM 1000 CZ TYR A 60 -3.191 -11.028 5.886 1.00 72.22 C ATOM 1001 OH TYR A 60 -2.908 -12.376 5.970 1.00 3.14 O ATOM 0 H TYR A 60 -5.716 -6.937 3.707 1.00 73.11 H new ATOM 0 HA TYR A 60 -6.088 -7.122 6.529 1.00 2.23 H new ATOM 0 HB2 TYR A 60 -3.741 -6.421 4.724 1.00 43.01 H new ATOM 0 HB3 TYR A 60 -3.601 -6.319 6.468 1.00 43.01 H new ATOM 0 HD1 TYR A 60 -4.619 -8.567 7.679 1.00 12.41 H new ATOM 0 HD2 TYR A 60 -2.889 -8.431 3.779 1.00 71.53 H new ATOM 0 HE1 TYR A 60 -4.086 -10.945 7.826 1.00 55.13 H new ATOM 0 HE2 TYR A 60 -2.362 -10.824 3.926 1.00 10.23 H new ATOM 0 HH TYR A 60 -2.463 -12.669 5.148 1.00 3.14 H new ATOM 1011 N LEU A 61 -5.846 -4.123 5.165 1.00 10.44 N ATOM 1012 CA LEU A 61 -6.027 -2.683 5.407 1.00 64.13 C ATOM 1013 C LEU A 61 -7.410 -2.436 6.041 1.00 53.50 C ATOM 1014 O LEU A 61 -7.542 -1.676 7.000 1.00 53.24 O ATOM 1015 CB LEU A 61 -5.854 -1.874 4.085 1.00 2.32 C ATOM 1016 CG LEU A 61 -4.429 -1.881 3.442 1.00 12.04 C ATOM 1017 CD1 LEU A 61 -4.375 -1.012 2.164 1.00 62.35 C ATOM 1018 CD2 LEU A 61 -3.345 -1.461 4.459 1.00 64.13 C ATOM 0 H LEU A 61 -5.756 -4.370 4.179 1.00 10.44 H new ATOM 0 HA LEU A 61 -5.261 -2.337 6.101 1.00 64.13 H new ATOM 0 HB2 LEU A 61 -6.560 -2.264 3.352 1.00 2.32 H new ATOM 0 HB3 LEU A 61 -6.135 -0.839 4.280 1.00 2.32 H new ATOM 0 HG LEU A 61 -4.215 -2.907 3.144 1.00 12.04 H new ATOM 0 HD11 LEU A 61 -3.369 -1.042 1.746 1.00 62.35 H new ATOM 0 HD12 LEU A 61 -5.084 -1.398 1.431 1.00 62.35 H new ATOM 0 HD13 LEU A 61 -4.634 0.017 2.413 1.00 62.35 H new ATOM 0 HD21 LEU A 61 -2.368 -1.477 3.977 1.00 64.13 H new ATOM 0 HD22 LEU A 61 -3.555 -0.454 4.819 1.00 64.13 H new ATOM 0 HD23 LEU A 61 -3.346 -2.155 5.300 1.00 64.13 H new ATOM 1030 N HIS A 62 -8.423 -3.129 5.501 1.00 70.33 N ATOM 1031 CA HIS A 62 -9.797 -3.110 6.029 1.00 11.13 C ATOM 1032 C HIS A 62 -9.854 -3.784 7.419 1.00 63.23 C ATOM 1033 O HIS A 62 -10.438 -3.231 8.351 1.00 71.15 O ATOM 1034 CB HIS A 62 -10.737 -3.824 5.025 1.00 74.43 C ATOM 1035 CG HIS A 62 -12.208 -3.832 5.389 1.00 74.30 C ATOM 1036 ND1 HIS A 62 -13.089 -4.776 4.904 1.00 62.04 N ATOM 1037 CD2 HIS A 62 -12.957 -2.995 6.150 1.00 31.13 C ATOM 1038 CE1 HIS A 62 -14.302 -4.519 5.345 1.00 72.21 C ATOM 1039 NE2 HIS A 62 -14.249 -3.444 6.105 1.00 71.12 N ATOM 0 H HIS A 62 -8.312 -3.723 4.679 1.00 70.33 H new ATOM 0 HA HIS A 62 -10.126 -2.078 6.151 1.00 11.13 H new ATOM 0 HB2 HIS A 62 -10.626 -3.348 4.051 1.00 74.43 H new ATOM 0 HB3 HIS A 62 -10.404 -4.856 4.915 1.00 74.43 H new ATOM 0 HD2 HIS A 62 -12.599 -2.132 6.692 1.00 31.13 H new ATOM 0 HE1 HIS A 62 -15.190 -5.092 5.122 1.00 72.21 H new ATOM 0 HE2 HIS A 62 -15.042 -3.016 6.582 1.00 71.12 H new ATOM 1048 N ALA A 63 -9.207 -4.960 7.536 1.00 30.44 N ATOM 1049 CA ALA A 63 -9.226 -5.792 8.763 1.00 2.22 C ATOM 1050 C ALA A 63 -8.659 -5.034 9.975 1.00 52.31 C ATOM 1051 O ALA A 63 -9.270 -4.996 11.047 1.00 74.41 O ATOM 1052 CB ALA A 63 -8.430 -7.086 8.530 1.00 2.55 C ATOM 0 H ALA A 63 -8.653 -5.364 6.781 1.00 30.44 H new ATOM 0 HA ALA A 63 -10.265 -6.037 8.984 1.00 2.22 H new ATOM 0 HB1 ALA A 63 -8.448 -7.692 9.436 1.00 2.55 H new ATOM 0 HB2 ALA A 63 -8.878 -7.646 7.709 1.00 2.55 H new ATOM 0 HB3 ALA A 63 -7.398 -6.839 8.280 1.00 2.55 H new ATOM 1058 N LEU A 64 -7.495 -4.421 9.766 1.00 32.04 N ATOM 1059 CA LEU A 64 -6.742 -3.714 10.813 1.00 53.23 C ATOM 1060 C LEU A 64 -7.284 -2.276 11.019 1.00 42.14 C ATOM 1061 O LEU A 64 -7.064 -1.669 12.075 1.00 25.31 O ATOM 1062 CB LEU A 64 -5.233 -3.712 10.425 1.00 21.44 C ATOM 1063 CG LEU A 64 -4.578 -5.120 10.205 1.00 64.25 C ATOM 1064 CD1 LEU A 64 -3.141 -5.012 9.638 1.00 51.22 C ATOM 1065 CD2 LEU A 64 -4.608 -5.961 11.497 1.00 22.51 C ATOM 0 H LEU A 64 -7.038 -4.398 8.854 1.00 32.04 H new ATOM 0 HA LEU A 64 -6.865 -4.229 11.766 1.00 53.23 H new ATOM 0 HB2 LEU A 64 -5.114 -3.131 9.510 1.00 21.44 H new ATOM 0 HB3 LEU A 64 -4.678 -3.193 11.207 1.00 21.44 H new ATOM 0 HG LEU A 64 -5.179 -5.636 9.456 1.00 64.25 H new ATOM 0 HD11 LEU A 64 -2.727 -6.011 9.502 1.00 51.22 H new ATOM 0 HD12 LEU A 64 -3.166 -4.496 8.678 1.00 51.22 H new ATOM 0 HD13 LEU A 64 -2.516 -4.452 10.334 1.00 51.22 H new ATOM 0 HD21 LEU A 64 -4.147 -6.931 11.311 1.00 22.51 H new ATOM 0 HD22 LEU A 64 -4.058 -5.442 12.282 1.00 22.51 H new ATOM 0 HD23 LEU A 64 -5.641 -6.106 11.813 1.00 22.51 H new ATOM 1077 N GLY A 65 -8.014 -1.752 10.005 1.00 41.34 N ATOM 1078 CA GLY A 65 -8.560 -0.384 10.031 1.00 4.11 C ATOM 1079 C GLY A 65 -7.621 0.647 9.404 1.00 22.02 C ATOM 1080 O GLY A 65 -7.917 1.852 9.409 1.00 52.14 O ATOM 0 H GLY A 65 -8.237 -2.267 9.153 1.00 41.34 H new ATOM 0 HA2 GLY A 65 -9.513 -0.369 9.501 1.00 4.11 H new ATOM 0 HA3 GLY A 65 -8.765 -0.100 11.063 1.00 4.11 H new ATOM 1084 N GLY A 66 -6.497 0.163 8.831 1.00 1.23 N ATOM 1085 CA GLY A 66 -5.470 1.021 8.233 1.00 24.24 C ATOM 1086 C GLY A 66 -5.761 1.428 6.795 1.00 35.40 C ATOM 1087 O GLY A 66 -4.939 2.103 6.183 1.00 5.10 O ATOM 0 H GLY A 66 -6.284 -0.833 8.774 1.00 1.23 H new ATOM 0 HA2 GLY A 66 -5.365 1.920 8.840 1.00 24.24 H new ATOM 0 HA3 GLY A 66 -4.513 0.501 8.266 1.00 24.24 H new ATOM 1091 N ALA A 67 -6.937 1.030 6.264 1.00 4.02 N ATOM 1092 CA ALA A 67 -7.364 1.351 4.887 1.00 24.35 C ATOM 1093 C ALA A 67 -7.468 2.861 4.661 1.00 31.25 C ATOM 1094 O ALA A 67 -6.929 3.396 3.684 1.00 64.24 O ATOM 1095 CB ALA A 67 -8.704 0.669 4.590 1.00 71.25 C ATOM 0 H ALA A 67 -7.619 0.475 6.781 1.00 4.02 H new ATOM 0 HA ALA A 67 -6.605 0.974 4.201 1.00 24.35 H new ATOM 0 HB1 ALA A 67 -9.016 0.908 3.573 1.00 71.25 H new ATOM 0 HB2 ALA A 67 -8.593 -0.411 4.691 1.00 71.25 H new ATOM 0 HB3 ALA A 67 -9.457 1.024 5.294 1.00 71.25 H new ATOM 1101 N VAL A 68 -8.162 3.529 5.596 1.00 73.03 N ATOM 1102 CA VAL A 68 -8.360 4.981 5.568 1.00 50.35 C ATOM 1103 C VAL A 68 -7.014 5.698 5.813 1.00 72.42 C ATOM 1104 O VAL A 68 -6.763 6.739 5.227 1.00 71.54 O ATOM 1105 CB VAL A 68 -9.428 5.435 6.639 1.00 31.42 C ATOM 1106 CG1 VAL A 68 -9.720 6.953 6.546 1.00 32.43 C ATOM 1107 CG2 VAL A 68 -10.734 4.608 6.510 1.00 63.22 C ATOM 0 H VAL A 68 -8.602 3.072 6.395 1.00 73.03 H new ATOM 0 HA VAL A 68 -8.740 5.256 4.584 1.00 50.35 H new ATOM 0 HB VAL A 68 -9.003 5.244 7.624 1.00 31.42 H new ATOM 0 HG11 VAL A 68 -10.459 7.228 7.298 1.00 32.43 H new ATOM 0 HG12 VAL A 68 -8.800 7.512 6.720 1.00 32.43 H new ATOM 0 HG13 VAL A 68 -10.106 7.189 5.554 1.00 32.43 H new ATOM 0 HG21 VAL A 68 -11.452 4.942 7.260 1.00 63.22 H new ATOM 0 HG22 VAL A 68 -11.157 4.748 5.515 1.00 63.22 H new ATOM 0 HG23 VAL A 68 -10.513 3.552 6.665 1.00 63.22 H new ATOM 1117 N GLN A 69 -6.146 5.092 6.658 1.00 50.10 N ATOM 1118 CA GLN A 69 -4.807 5.640 6.990 1.00 3.24 C ATOM 1119 C GLN A 69 -3.881 5.697 5.750 1.00 21.33 C ATOM 1120 O GLN A 69 -3.122 6.660 5.580 1.00 43.11 O ATOM 1121 CB GLN A 69 -4.144 4.805 8.120 1.00 25.11 C ATOM 1122 CG GLN A 69 -4.865 4.862 9.490 1.00 71.31 C ATOM 1123 CD GLN A 69 -4.775 6.221 10.215 1.00 65.00 C ATOM 1124 OE1 GLN A 69 -4.725 7.294 9.604 1.00 50.32 O ATOM 1125 NE2 GLN A 69 -4.767 6.185 11.531 1.00 75.14 N ATOM 0 H GLN A 69 -6.353 4.211 7.128 1.00 50.10 H new ATOM 0 HA GLN A 69 -4.951 6.662 7.339 1.00 3.24 H new ATOM 0 HB2 GLN A 69 -4.091 3.765 7.798 1.00 25.11 H new ATOM 0 HB3 GLN A 69 -3.119 5.151 8.252 1.00 25.11 H new ATOM 0 HG2 GLN A 69 -5.916 4.615 9.342 1.00 71.31 H new ATOM 0 HG3 GLN A 69 -4.445 4.093 10.138 1.00 71.31 H new ATOM 0 HE21 GLN A 69 -4.809 5.289 12.017 1.00 75.14 H new ATOM 0 HE22 GLN A 69 -4.719 7.053 12.065 1.00 75.14 H new ATOM 1134 N VAL A 70 -3.965 4.654 4.898 1.00 72.03 N ATOM 1135 CA VAL A 70 -3.222 4.579 3.619 1.00 44.41 C ATOM 1136 C VAL A 70 -3.702 5.687 2.669 1.00 15.12 C ATOM 1137 O VAL A 70 -2.886 6.391 2.072 1.00 64.15 O ATOM 1138 CB VAL A 70 -3.393 3.162 2.946 1.00 74.23 C ATOM 1139 CG1 VAL A 70 -2.788 3.095 1.520 1.00 15.22 C ATOM 1140 CG2 VAL A 70 -2.774 2.074 3.841 1.00 12.13 C ATOM 0 H VAL A 70 -4.550 3.838 5.076 1.00 72.03 H new ATOM 0 HA VAL A 70 -2.162 4.724 3.827 1.00 44.41 H new ATOM 0 HB VAL A 70 -4.464 2.986 2.841 1.00 74.23 H new ATOM 0 HG11 VAL A 70 -2.936 2.097 1.109 1.00 15.22 H new ATOM 0 HG12 VAL A 70 -3.281 3.828 0.881 1.00 15.22 H new ATOM 0 HG13 VAL A 70 -1.721 3.314 1.567 1.00 15.22 H new ATOM 0 HG21 VAL A 70 -2.897 1.100 3.368 1.00 12.13 H new ATOM 0 HG22 VAL A 70 -1.712 2.278 3.980 1.00 12.13 H new ATOM 0 HG23 VAL A 70 -3.273 2.072 4.810 1.00 12.13 H new ATOM 1150 N LYS A 71 -5.039 5.835 2.575 1.00 4.24 N ATOM 1151 CA LYS A 71 -5.681 6.872 1.744 1.00 73.14 C ATOM 1152 C LYS A 71 -5.239 8.275 2.177 1.00 1.32 C ATOM 1153 O LYS A 71 -4.735 9.037 1.365 1.00 30.31 O ATOM 1154 CB LYS A 71 -7.225 6.755 1.814 1.00 44.44 C ATOM 1155 CG LYS A 71 -7.783 5.454 1.211 1.00 51.43 C ATOM 1156 CD LYS A 71 -9.328 5.413 1.184 1.00 51.35 C ATOM 1157 CE LYS A 71 -9.940 6.519 0.304 1.00 4.12 C ATOM 1158 NZ LYS A 71 -11.423 6.409 0.217 1.00 62.41 N ATOM 0 H LYS A 71 -5.702 5.240 3.072 1.00 4.24 H new ATOM 0 HA LYS A 71 -5.365 6.714 0.713 1.00 73.14 H new ATOM 0 HB2 LYS A 71 -7.537 6.823 2.856 1.00 44.44 H new ATOM 0 HB3 LYS A 71 -7.667 7.604 1.292 1.00 44.44 H new ATOM 0 HG2 LYS A 71 -7.405 5.340 0.195 1.00 51.43 H new ATOM 0 HG3 LYS A 71 -7.413 4.606 1.787 1.00 51.43 H new ATOM 0 HD2 LYS A 71 -9.655 4.440 0.816 1.00 51.35 H new ATOM 0 HD3 LYS A 71 -9.707 5.513 2.201 1.00 51.35 H new ATOM 0 HE2 LYS A 71 -9.672 7.494 0.710 1.00 4.12 H new ATOM 0 HE3 LYS A 71 -9.513 6.463 -0.697 1.00 4.12 H new ATOM 0 HZ1 LYS A 71 -11.793 7.172 -0.385 1.00 62.41 H new ATOM 0 HZ2 LYS A 71 -11.679 5.489 -0.194 1.00 62.41 H new ATOM 0 HZ3 LYS A 71 -11.833 6.489 1.169 1.00 62.41 H new ATOM 1172 N THR A 72 -5.374 8.551 3.487 1.00 53.03 N ATOM 1173 CA THR A 72 -5.106 9.866 4.095 1.00 33.22 C ATOM 1174 C THR A 72 -3.641 10.282 3.872 1.00 12.42 C ATOM 1175 O THR A 72 -3.353 11.443 3.552 1.00 34.23 O ATOM 1176 CB THR A 72 -5.433 9.830 5.630 1.00 52.32 C ATOM 1177 OG1 THR A 72 -6.784 9.374 5.824 1.00 64.03 O ATOM 1178 CG2 THR A 72 -5.273 11.201 6.311 1.00 2.22 C ATOM 0 H THR A 72 -5.678 7.852 4.165 1.00 53.03 H new ATOM 0 HA THR A 72 -5.748 10.604 3.614 1.00 33.22 H new ATOM 0 HB THR A 72 -4.717 9.148 6.088 1.00 52.32 H new ATOM 0 HG1 THR A 72 -6.809 8.396 5.776 1.00 64.03 H new ATOM 0 HG21 THR A 72 -5.513 11.111 7.370 1.00 2.22 H new ATOM 0 HG22 THR A 72 -4.245 11.545 6.200 1.00 2.22 H new ATOM 0 HG23 THR A 72 -5.948 11.919 5.846 1.00 2.22 H new ATOM 1186 N PHE A 73 -2.732 9.299 4.007 1.00 61.10 N ATOM 1187 CA PHE A 73 -1.295 9.511 3.818 1.00 24.23 C ATOM 1188 C PHE A 73 -1.003 9.856 2.345 1.00 14.43 C ATOM 1189 O PHE A 73 -0.413 10.897 2.065 1.00 51.52 O ATOM 1190 CB PHE A 73 -0.494 8.253 4.254 1.00 55.10 C ATOM 1191 CG PHE A 73 1.020 8.473 4.309 1.00 33.21 C ATOM 1192 CD1 PHE A 73 1.832 8.281 3.187 1.00 53.14 C ATOM 1193 CD2 PHE A 73 1.629 8.896 5.492 1.00 11.45 C ATOM 1194 CE1 PHE A 73 3.193 8.504 3.252 1.00 4.04 C ATOM 1195 CE2 PHE A 73 2.989 9.112 5.550 1.00 11.24 C ATOM 1196 CZ PHE A 73 3.772 8.917 4.432 1.00 4.02 C ATOM 0 H PHE A 73 -2.978 8.339 4.250 1.00 61.10 H new ATOM 0 HA PHE A 73 -0.979 10.346 4.443 1.00 24.23 H new ATOM 0 HB2 PHE A 73 -0.842 7.935 5.237 1.00 55.10 H new ATOM 0 HB3 PHE A 73 -0.709 7.439 3.562 1.00 55.10 H new ATOM 0 HD1 PHE A 73 1.389 7.954 2.258 1.00 53.14 H new ATOM 0 HD2 PHE A 73 1.026 9.056 6.374 1.00 11.45 H new ATOM 0 HE1 PHE A 73 3.806 8.354 2.375 1.00 4.04 H new ATOM 0 HE2 PHE A 73 3.443 9.435 6.475 1.00 11.24 H new ATOM 0 HZ PHE A 73 4.837 9.088 4.481 1.00 4.02 H new ATOM 1206 N ILE A 74 -1.465 8.975 1.425 1.00 51.24 N ATOM 1207 CA ILE A 74 -1.198 9.084 -0.027 1.00 32.11 C ATOM 1208 C ILE A 74 -1.827 10.368 -0.630 1.00 12.51 C ATOM 1209 O ILE A 74 -1.238 10.985 -1.519 1.00 3.32 O ATOM 1210 CB ILE A 74 -1.652 7.771 -0.801 1.00 33.41 C ATOM 1211 CG1 ILE A 74 -0.745 6.564 -0.372 1.00 3.50 C ATOM 1212 CG2 ILE A 74 -1.638 7.952 -2.340 1.00 13.02 C ATOM 1213 CD1 ILE A 74 -1.003 5.252 -1.101 1.00 5.14 C ATOM 0 H ILE A 74 -2.035 8.166 1.672 1.00 51.24 H new ATOM 0 HA ILE A 74 -0.120 9.173 -0.158 1.00 32.11 H new ATOM 0 HB ILE A 74 -2.686 7.565 -0.525 1.00 33.41 H new ATOM 0 HG12 ILE A 74 0.297 6.844 -0.525 1.00 3.50 H new ATOM 0 HG13 ILE A 74 -0.877 6.396 0.697 1.00 3.50 H new ATOM 0 HG21 ILE A 74 -1.956 7.026 -2.818 1.00 13.02 H new ATOM 0 HG22 ILE A 74 -2.319 8.756 -2.618 1.00 13.02 H new ATOM 0 HG23 ILE A 74 -0.629 8.201 -2.668 1.00 13.02 H new ATOM 0 HD11 ILE A 74 -0.322 4.488 -0.727 1.00 5.14 H new ATOM 0 HD12 ILE A 74 -2.032 4.937 -0.929 1.00 5.14 H new ATOM 0 HD13 ILE A 74 -0.840 5.391 -2.170 1.00 5.14 H new ATOM 1225 N THR A 75 -2.983 10.790 -0.091 1.00 4.52 N ATOM 1226 CA THR A 75 -3.687 12.014 -0.533 1.00 24.44 C ATOM 1227 C THR A 75 -2.844 13.272 -0.198 1.00 31.21 C ATOM 1228 O THR A 75 -2.666 14.161 -1.039 1.00 73.24 O ATOM 1229 CB THR A 75 -5.114 12.114 0.124 1.00 14.41 C ATOM 1230 OG1 THR A 75 -5.876 10.940 -0.195 1.00 61.34 O ATOM 1231 CG2 THR A 75 -5.912 13.350 -0.341 1.00 75.10 C ATOM 0 H THR A 75 -3.459 10.295 0.663 1.00 4.52 H new ATOM 0 HA THR A 75 -3.818 11.959 -1.614 1.00 24.44 H new ATOM 0 HB THR A 75 -4.952 12.206 1.198 1.00 14.41 H new ATOM 0 HG1 THR A 75 -5.614 10.208 0.401 1.00 61.34 H new ATOM 0 HG21 THR A 75 -6.886 13.360 0.149 1.00 75.10 H new ATOM 0 HG22 THR A 75 -5.365 14.256 -0.079 1.00 75.10 H new ATOM 0 HG23 THR A 75 -6.050 13.309 -1.421 1.00 75.10 H new ATOM 1239 N GLN A 76 -2.286 13.300 1.026 1.00 5.33 N ATOM 1240 CA GLN A 76 -1.548 14.471 1.550 1.00 41.55 C ATOM 1241 C GLN A 76 -0.070 14.482 1.105 1.00 52.24 C ATOM 1242 O GLN A 76 0.526 15.562 0.988 1.00 12.44 O ATOM 1243 CB GLN A 76 -1.634 14.510 3.099 1.00 11.54 C ATOM 1244 CG GLN A 76 -3.065 14.647 3.657 1.00 41.01 C ATOM 1245 CD GLN A 76 -3.090 14.711 5.184 1.00 62.12 C ATOM 1246 OE1 GLN A 76 -3.095 13.555 5.826 1.00 32.34 O flip ATOM 1247 NE2 GLN A 76 -3.069 15.787 5.781 1.00 74.03 N flip ATOM 0 H GLN A 76 -2.332 12.518 1.679 1.00 5.33 H new ATOM 0 HA GLN A 76 -2.021 15.360 1.133 1.00 41.55 H new ATOM 0 HB2 GLN A 76 -1.188 13.599 3.498 1.00 11.54 H new ATOM 0 HB3 GLN A 76 -1.034 15.344 3.463 1.00 11.54 H new ATOM 0 HG2 GLN A 76 -3.526 15.547 3.251 1.00 41.01 H new ATOM 0 HG3 GLN A 76 -3.666 13.802 3.321 1.00 41.01 H new ATOM 0 HE21 GLN A 76 -3.066 16.662 5.256 1.00 74.03 H new ATOM 0 HE22 GLN A 76 -3.055 15.804 6.801 1.00 74.03 H new ATOM 1256 N THR A 77 0.513 13.288 0.862 1.00 3.53 N ATOM 1257 CA THR A 77 1.957 13.159 0.592 1.00 51.41 C ATOM 1258 C THR A 77 2.309 13.682 -0.810 1.00 72.34 C ATOM 1259 O THR A 77 1.500 13.613 -1.747 1.00 4.21 O ATOM 1260 CB THR A 77 2.490 11.684 0.760 1.00 23.21 C ATOM 1261 OG1 THR A 77 3.924 11.684 0.764 1.00 11.05 O ATOM 1262 CG2 THR A 77 2.017 10.720 -0.344 1.00 72.02 C ATOM 0 H THR A 77 0.005 12.403 0.848 1.00 3.53 H new ATOM 0 HA THR A 77 2.455 13.772 1.344 1.00 51.41 H new ATOM 0 HB THR A 77 2.081 11.328 1.705 1.00 23.21 H new ATOM 0 HG1 THR A 77 4.251 10.766 0.870 1.00 11.05 H new ATOM 0 HG21 THR A 77 2.425 9.726 -0.159 1.00 72.02 H new ATOM 0 HG22 THR A 77 0.928 10.671 -0.343 1.00 72.02 H new ATOM 0 HG23 THR A 77 2.363 11.079 -1.313 1.00 72.02 H new ATOM 1270 N LYS A 78 3.521 14.216 -0.919 1.00 14.44 N ATOM 1271 CA LYS A 78 4.111 14.671 -2.186 1.00 32.43 C ATOM 1272 C LYS A 78 5.295 13.762 -2.564 1.00 1.21 C ATOM 1273 O LYS A 78 5.959 13.991 -3.577 1.00 14.22 O ATOM 1274 CB LYS A 78 4.549 16.156 -2.056 1.00 11.40 C ATOM 1275 CG LYS A 78 5.519 16.433 -0.893 1.00 41.20 C ATOM 1276 CD LYS A 78 5.988 17.903 -0.822 1.00 42.44 C ATOM 1277 CE LYS A 78 6.931 18.146 0.371 1.00 14.02 C ATOM 1278 NZ LYS A 78 8.090 17.206 0.373 1.00 64.12 N ATOM 0 H LYS A 78 4.137 14.350 -0.117 1.00 14.44 H new ATOM 0 HA LYS A 78 3.371 14.607 -2.984 1.00 32.43 H new ATOM 0 HB2 LYS A 78 5.021 16.466 -2.988 1.00 11.40 H new ATOM 0 HB3 LYS A 78 3.661 16.774 -1.927 1.00 11.40 H new ATOM 0 HG2 LYS A 78 5.033 16.169 0.046 1.00 41.20 H new ATOM 0 HG3 LYS A 78 6.390 15.786 -0.994 1.00 41.20 H new ATOM 0 HD2 LYS A 78 6.498 18.167 -1.748 1.00 42.44 H new ATOM 0 HD3 LYS A 78 5.120 18.558 -0.739 1.00 42.44 H new ATOM 0 HE2 LYS A 78 7.297 19.172 0.339 1.00 14.02 H new ATOM 0 HE3 LYS A 78 6.374 18.035 1.301 1.00 14.02 H new ATOM 0 HZ1 LYS A 78 8.750 17.470 1.132 1.00 64.12 H new ATOM 0 HZ2 LYS A 78 7.750 16.236 0.532 1.00 64.12 H new ATOM 0 HZ3 LYS A 78 8.579 17.256 -0.544 1.00 64.12 H new ATOM 1292 N GLU A 79 5.524 12.702 -1.758 1.00 23.21 N ATOM 1293 CA GLU A 79 6.637 11.759 -1.954 1.00 42.44 C ATOM 1294 C GLU A 79 6.270 10.685 -2.989 1.00 62.31 C ATOM 1295 O GLU A 79 5.118 10.237 -3.060 1.00 12.04 O ATOM 1296 CB GLU A 79 7.038 11.092 -0.607 1.00 4.20 C ATOM 1297 CG GLU A 79 7.380 12.090 0.522 1.00 35.23 C ATOM 1298 CD GLU A 79 8.425 13.148 0.113 1.00 41.03 C ATOM 1299 OE1 GLU A 79 9.621 12.801 -0.007 1.00 21.24 O ATOM 1300 OE2 GLU A 79 8.059 14.324 -0.107 1.00 63.31 O ATOM 0 H GLU A 79 4.939 12.480 -0.953 1.00 23.21 H new ATOM 0 HA GLU A 79 7.490 12.323 -2.330 1.00 42.44 H new ATOM 0 HB2 GLU A 79 6.220 10.452 -0.275 1.00 4.20 H new ATOM 0 HB3 GLU A 79 7.899 10.446 -0.778 1.00 4.20 H new ATOM 0 HG2 GLU A 79 6.467 12.596 0.838 1.00 35.23 H new ATOM 0 HG3 GLU A 79 7.753 11.537 1.384 1.00 35.23 H new ATOM 1307 N ARG A 80 7.271 10.293 -3.787 1.00 72.30 N ATOM 1308 CA ARG A 80 7.161 9.234 -4.804 1.00 53.21 C ATOM 1309 C ARG A 80 8.093 8.062 -4.434 1.00 73.44 C ATOM 1310 O ARG A 80 9.186 8.296 -3.893 1.00 72.23 O ATOM 1311 CB ARG A 80 7.523 9.768 -6.226 1.00 43.42 C ATOM 1312 CG ARG A 80 6.526 10.793 -6.798 1.00 41.54 C ATOM 1313 CD ARG A 80 6.748 11.102 -8.292 1.00 63.02 C ATOM 1314 NE ARG A 80 6.689 9.884 -9.127 1.00 10.32 N ATOM 1315 CZ ARG A 80 6.087 9.775 -10.327 1.00 53.22 C ATOM 1316 NH1 ARG A 80 5.461 10.811 -10.881 1.00 54.25 N ATOM 1317 NH2 ARG A 80 6.126 8.617 -10.981 1.00 10.12 N ATOM 0 H ARG A 80 8.201 10.711 -3.745 1.00 72.30 H new ATOM 0 HA ARG A 80 6.126 8.892 -4.827 1.00 53.21 H new ATOM 0 HB2 ARG A 80 8.512 10.225 -6.187 1.00 43.42 H new ATOM 0 HB3 ARG A 80 7.589 8.923 -6.911 1.00 43.42 H new ATOM 0 HG2 ARG A 80 5.512 10.417 -6.660 1.00 41.54 H new ATOM 0 HG3 ARG A 80 6.603 11.719 -6.229 1.00 41.54 H new ATOM 0 HD2 ARG A 80 5.992 11.810 -8.631 1.00 63.02 H new ATOM 0 HD3 ARG A 80 7.717 11.583 -8.422 1.00 63.02 H new ATOM 0 HE ARG A 80 7.146 9.049 -8.761 1.00 10.32 H new ATOM 0 HH11 ARG A 80 5.431 11.708 -10.396 1.00 54.25 H new ATOM 0 HH12 ARG A 80 5.011 10.708 -11.791 1.00 54.25 H new ATOM 0 HH21 ARG A 80 6.610 7.817 -10.573 1.00 10.12 H new ATOM 0 HH22 ARG A 80 5.672 8.529 -11.890 1.00 10.12 H new ATOM 1331 N PRO A 81 7.679 6.782 -4.700 1.00 21.13 N ATOM 1332 CA PRO A 81 8.569 5.616 -4.538 1.00 70.22 C ATOM 1333 C PRO A 81 9.633 5.574 -5.668 1.00 54.41 C ATOM 1334 O PRO A 81 9.297 5.450 -6.855 1.00 22.35 O ATOM 1335 CB PRO A 81 7.589 4.412 -4.601 1.00 43.20 C ATOM 1336 CG PRO A 81 6.416 4.896 -5.403 1.00 30.34 C ATOM 1337 CD PRO A 81 6.312 6.387 -5.159 1.00 42.22 C ATOM 0 HA PRO A 81 9.146 5.629 -3.614 1.00 70.22 H new ATOM 0 HB2 PRO A 81 8.058 3.548 -5.072 1.00 43.20 H new ATOM 0 HB3 PRO A 81 7.281 4.103 -3.602 1.00 43.20 H new ATOM 0 HG2 PRO A 81 6.558 4.686 -6.463 1.00 30.34 H new ATOM 0 HG3 PRO A 81 5.501 4.388 -5.097 1.00 30.34 H new ATOM 0 HD2 PRO A 81 6.028 6.920 -6.066 1.00 42.22 H new ATOM 0 HD3 PRO A 81 5.558 6.615 -4.406 1.00 42.22 H new ATOM 1345 N ARG A 82 10.912 5.669 -5.289 1.00 33.42 N ATOM 1346 CA ARG A 82 12.046 5.731 -6.238 1.00 75.50 C ATOM 1347 C ARG A 82 13.016 4.577 -5.939 1.00 12.54 C ATOM 1348 O ARG A 82 12.908 3.941 -4.889 1.00 60.41 O ATOM 1349 CB ARG A 82 12.766 7.105 -6.128 1.00 40.45 C ATOM 1350 CG ARG A 82 13.706 7.427 -7.311 1.00 10.10 C ATOM 1351 CD ARG A 82 14.551 8.691 -7.096 1.00 5.52 C ATOM 1352 NE ARG A 82 15.496 8.551 -5.971 1.00 55.41 N ATOM 1353 CZ ARG A 82 16.688 7.924 -6.031 1.00 44.51 C ATOM 1354 NH1 ARG A 82 17.117 7.343 -7.154 1.00 31.24 N ATOM 1355 NH2 ARG A 82 17.449 7.882 -4.952 1.00 5.03 N ATOM 0 H ARG A 82 11.199 5.706 -4.311 1.00 33.42 H new ATOM 0 HA ARG A 82 11.677 5.629 -7.258 1.00 75.50 H new ATOM 0 HB2 ARG A 82 12.014 7.891 -6.052 1.00 40.45 H new ATOM 0 HB3 ARG A 82 13.344 7.126 -5.204 1.00 40.45 H new ATOM 0 HG2 ARG A 82 14.371 6.579 -7.478 1.00 10.10 H new ATOM 0 HG3 ARG A 82 13.110 7.548 -8.216 1.00 10.10 H new ATOM 0 HD2 ARG A 82 15.106 8.913 -8.008 1.00 5.52 H new ATOM 0 HD3 ARG A 82 13.891 9.538 -6.910 1.00 5.52 H new ATOM 0 HE ARG A 82 15.226 8.961 -5.077 1.00 55.41 H new ATOM 0 HH11 ARG A 82 16.539 7.367 -7.994 1.00 31.24 H new ATOM 0 HH12 ARG A 82 18.023 6.875 -7.172 1.00 31.24 H new ATOM 0 HH21 ARG A 82 17.132 8.321 -4.087 1.00 5.03 H new ATOM 0 HH22 ARG A 82 18.353 7.411 -4.984 1.00 5.03 H new ATOM 1369 N LEU A 83 13.937 4.287 -6.879 1.00 25.35 N ATOM 1370 CA LEU A 83 14.942 3.219 -6.732 1.00 12.04 C ATOM 1371 C LEU A 83 15.759 3.399 -5.427 1.00 0.23 C ATOM 1372 O LEU A 83 16.578 4.322 -5.315 1.00 72.34 O ATOM 1373 CB LEU A 83 15.875 3.206 -7.971 1.00 22.33 C ATOM 1374 CG LEU A 83 17.005 2.127 -7.975 1.00 54.35 C ATOM 1375 CD1 LEU A 83 16.431 0.694 -7.964 1.00 62.02 C ATOM 1376 CD2 LEU A 83 17.978 2.344 -9.155 1.00 24.22 C ATOM 0 H LEU A 83 14.004 4.789 -7.764 1.00 25.35 H new ATOM 0 HA LEU A 83 14.428 2.260 -6.667 1.00 12.04 H new ATOM 0 HB2 LEU A 83 15.261 3.062 -8.860 1.00 22.33 H new ATOM 0 HB3 LEU A 83 16.339 4.188 -8.060 1.00 22.33 H new ATOM 0 HG LEU A 83 17.574 2.246 -7.053 1.00 54.35 H new ATOM 0 HD11 LEU A 83 17.249 -0.026 -7.967 1.00 62.02 H new ATOM 0 HD12 LEU A 83 15.826 0.551 -7.069 1.00 62.02 H new ATOM 0 HD13 LEU A 83 15.812 0.543 -8.848 1.00 62.02 H new ATOM 0 HD21 LEU A 83 18.754 1.579 -9.132 1.00 24.22 H new ATOM 0 HD22 LEU A 83 17.430 2.278 -10.095 1.00 24.22 H new ATOM 0 HD23 LEU A 83 18.438 3.329 -9.071 1.00 24.22 H new ATOM 1388 N GLY A 84 15.468 2.533 -4.437 1.00 44.43 N ATOM 1389 CA GLY A 84 16.142 2.537 -3.132 1.00 44.24 C ATOM 1390 C GLY A 84 15.246 3.059 -2.004 1.00 40.13 C ATOM 1391 O GLY A 84 15.415 2.667 -0.843 1.00 74.04 O ATOM 0 H GLY A 84 14.755 1.809 -4.524 1.00 44.43 H new ATOM 0 HA2 GLY A 84 16.467 1.525 -2.893 1.00 44.24 H new ATOM 0 HA3 GLY A 84 17.039 3.154 -3.193 1.00 44.24 H new ATOM 1395 N LYS A 85 14.288 3.947 -2.348 1.00 5.12 N ATOM 1396 CA LYS A 85 13.382 4.596 -1.374 1.00 44.31 C ATOM 1397 C LYS A 85 11.916 4.153 -1.598 1.00 20.31 C ATOM 1398 O LYS A 85 11.345 4.386 -2.666 1.00 45.12 O ATOM 1399 CB LYS A 85 13.481 6.151 -1.488 1.00 63.43 C ATOM 1400 CG LYS A 85 12.747 6.920 -0.357 1.00 32.13 C ATOM 1401 CD LYS A 85 13.431 6.723 1.020 1.00 3.11 C ATOM 1402 CE LYS A 85 12.645 7.346 2.184 1.00 24.52 C ATOM 1403 NZ LYS A 85 11.346 6.658 2.408 1.00 61.25 N ATOM 0 H LYS A 85 14.120 4.235 -3.312 1.00 5.12 H new ATOM 0 HA LYS A 85 13.692 4.287 -0.376 1.00 44.31 H new ATOM 0 HB2 LYS A 85 14.532 6.438 -1.484 1.00 63.43 H new ATOM 0 HB3 LYS A 85 13.070 6.461 -2.449 1.00 63.43 H new ATOM 0 HG2 LYS A 85 12.720 7.982 -0.600 1.00 32.13 H new ATOM 0 HG3 LYS A 85 11.713 6.580 -0.300 1.00 32.13 H new ATOM 0 HD2 LYS A 85 13.557 5.656 1.206 1.00 3.11 H new ATOM 0 HD3 LYS A 85 14.428 7.161 0.988 1.00 3.11 H new ATOM 0 HE2 LYS A 85 13.243 7.296 3.094 1.00 24.52 H new ATOM 0 HE3 LYS A 85 12.466 8.401 1.977 1.00 24.52 H new ATOM 0 HZ1 LYS A 85 10.597 7.366 2.543 1.00 61.25 H new ATOM 0 HZ2 LYS A 85 11.119 6.067 1.583 1.00 61.25 H new ATOM 0 HZ3 LYS A 85 11.412 6.059 3.255 1.00 61.25 H new ATOM 1417 N ALA A 86 11.319 3.527 -0.578 1.00 23.42 N ATOM 1418 CA ALA A 86 9.885 3.189 -0.550 1.00 24.30 C ATOM 1419 C ALA A 86 9.092 4.283 0.184 1.00 31.02 C ATOM 1420 O ALA A 86 9.665 5.061 0.961 1.00 63.13 O ATOM 1421 CB ALA A 86 9.689 1.833 0.148 1.00 12.11 C ATOM 0 H ALA A 86 11.820 3.236 0.262 1.00 23.42 H new ATOM 0 HA ALA A 86 9.515 3.123 -1.573 1.00 24.30 H new ATOM 0 HB1 ALA A 86 8.628 1.584 0.168 1.00 12.11 H new ATOM 0 HB2 ALA A 86 10.232 1.061 -0.397 1.00 12.11 H new ATOM 0 HB3 ALA A 86 10.067 1.891 1.169 1.00 12.11 H new ATOM 1427 N VAL A 87 7.775 4.353 -0.072 1.00 12.24 N ATOM 1428 CA VAL A 87 6.854 5.220 0.687 1.00 25.21 C ATOM 1429 C VAL A 87 6.296 4.403 1.875 1.00 53.30 C ATOM 1430 O VAL A 87 5.293 3.697 1.745 1.00 61.00 O ATOM 1431 CB VAL A 87 5.692 5.787 -0.230 1.00 64.25 C ATOM 1432 CG1 VAL A 87 4.711 6.695 0.553 1.00 51.21 C ATOM 1433 CG2 VAL A 87 6.271 6.535 -1.453 1.00 43.10 C ATOM 0 H VAL A 87 7.319 3.813 -0.807 1.00 12.24 H new ATOM 0 HA VAL A 87 7.393 6.091 1.060 1.00 25.21 H new ATOM 0 HB VAL A 87 5.120 4.929 -0.583 1.00 64.25 H new ATOM 0 HG11 VAL A 87 3.934 7.057 -0.120 1.00 51.21 H new ATOM 0 HG12 VAL A 87 4.253 6.124 1.361 1.00 51.21 H new ATOM 0 HG13 VAL A 87 5.254 7.543 0.970 1.00 51.21 H new ATOM 0 HG21 VAL A 87 5.455 6.915 -2.067 1.00 43.10 H new ATOM 0 HG22 VAL A 87 6.887 7.368 -1.112 1.00 43.10 H new ATOM 0 HG23 VAL A 87 6.881 5.851 -2.043 1.00 43.10 H new ATOM 1443 N SER A 88 7.011 4.463 3.011 1.00 74.25 N ATOM 1444 CA SER A 88 6.661 3.739 4.240 1.00 31.52 C ATOM 1445 C SER A 88 5.505 4.462 4.960 1.00 22.52 C ATOM 1446 O SER A 88 5.715 5.496 5.608 1.00 61.11 O ATOM 1447 CB SER A 88 7.911 3.624 5.157 1.00 63.35 C ATOM 1448 OG SER A 88 7.648 2.834 6.309 1.00 52.21 O ATOM 0 H SER A 88 7.859 5.023 3.100 1.00 74.25 H new ATOM 0 HA SER A 88 6.329 2.731 3.990 1.00 31.52 H new ATOM 0 HB2 SER A 88 8.735 3.185 4.595 1.00 63.35 H new ATOM 0 HB3 SER A 88 8.230 4.620 5.464 1.00 63.35 H new ATOM 0 HG SER A 88 8.456 2.782 6.861 1.00 52.21 H new ATOM 1454 N ILE A 89 4.288 3.934 4.784 1.00 44.13 N ATOM 1455 CA ILE A 89 3.054 4.473 5.386 1.00 20.51 C ATOM 1456 C ILE A 89 2.868 3.894 6.808 1.00 70.41 C ATOM 1457 O ILE A 89 2.639 2.686 6.943 1.00 1.24 O ATOM 1458 CB ILE A 89 1.801 4.109 4.499 1.00 30.10 C ATOM 1459 CG1 ILE A 89 2.007 4.609 3.029 1.00 51.53 C ATOM 1460 CG2 ILE A 89 0.482 4.661 5.109 1.00 42.43 C ATOM 1461 CD1 ILE A 89 0.928 4.180 2.051 1.00 21.35 C ATOM 0 H ILE A 89 4.126 3.106 4.210 1.00 44.13 H new ATOM 0 HA ILE A 89 3.141 5.558 5.443 1.00 20.51 H new ATOM 0 HB ILE A 89 1.708 3.023 4.480 1.00 30.10 H new ATOM 0 HG12 ILE A 89 2.060 5.698 3.035 1.00 51.53 H new ATOM 0 HG13 ILE A 89 2.969 4.245 2.668 1.00 51.53 H new ATOM 0 HG21 ILE A 89 -0.357 4.389 4.468 1.00 42.43 H new ATOM 0 HG22 ILE A 89 0.334 4.235 6.101 1.00 42.43 H new ATOM 0 HG23 ILE A 89 0.543 5.747 5.186 1.00 42.43 H new ATOM 0 HD11 ILE A 89 1.157 4.574 1.061 1.00 21.35 H new ATOM 0 HD12 ILE A 89 0.887 3.092 2.008 1.00 21.35 H new ATOM 0 HD13 ILE A 89 -0.036 4.566 2.381 1.00 21.35 H new ATOM 1473 N PRO A 90 2.995 4.719 7.896 1.00 3.33 N ATOM 1474 CA PRO A 90 2.719 4.259 9.271 1.00 12.44 C ATOM 1475 C PRO A 90 1.201 4.141 9.530 1.00 21.34 C ATOM 1476 O PRO A 90 0.467 5.135 9.457 1.00 61.43 O ATOM 1477 CB PRO A 90 3.392 5.345 10.152 1.00 54.13 C ATOM 1478 CG PRO A 90 3.359 6.596 9.321 1.00 74.23 C ATOM 1479 CD PRO A 90 3.437 6.148 7.871 1.00 21.54 C ATOM 0 HA PRO A 90 3.105 3.262 9.480 1.00 12.44 H new ATOM 0 HB2 PRO A 90 2.855 5.480 11.091 1.00 54.13 H new ATOM 0 HB3 PRO A 90 4.415 5.068 10.407 1.00 54.13 H new ATOM 0 HG2 PRO A 90 2.445 7.161 9.505 1.00 74.23 H new ATOM 0 HG3 PRO A 90 4.194 7.251 9.571 1.00 74.23 H new ATOM 0 HD2 PRO A 90 2.791 6.752 7.234 1.00 21.54 H new ATOM 0 HD3 PRO A 90 4.450 6.243 7.480 1.00 21.54 H new ATOM 1487 N LEU A 91 0.726 2.908 9.775 1.00 20.24 N ATOM 1488 CA LEU A 91 -0.685 2.646 10.089 1.00 11.43 C ATOM 1489 C LEU A 91 -0.916 2.865 11.593 1.00 52.30 C ATOM 1490 O LEU A 91 -0.607 1.995 12.419 1.00 5.23 O ATOM 1491 CB LEU A 91 -1.086 1.212 9.645 1.00 51.50 C ATOM 1492 CG LEU A 91 -0.871 0.878 8.132 1.00 4.21 C ATOM 1493 CD1 LEU A 91 -1.381 -0.538 7.792 1.00 2.51 C ATOM 1494 CD2 LEU A 91 -1.519 1.943 7.223 1.00 3.12 C ATOM 0 H LEU A 91 1.308 2.070 9.761 1.00 20.24 H new ATOM 0 HA LEU A 91 -1.321 3.339 9.538 1.00 11.43 H new ATOM 0 HB2 LEU A 91 -0.517 0.497 10.239 1.00 51.50 H new ATOM 0 HB3 LEU A 91 -2.138 1.060 9.884 1.00 51.50 H new ATOM 0 HG LEU A 91 0.202 0.895 7.941 1.00 4.21 H new ATOM 0 HD11 LEU A 91 -1.217 -0.739 6.733 1.00 2.51 H new ATOM 0 HD12 LEU A 91 -0.840 -1.273 8.389 1.00 2.51 H new ATOM 0 HD13 LEU A 91 -2.446 -0.604 8.013 1.00 2.51 H new ATOM 0 HD21 LEU A 91 -1.351 1.681 6.178 1.00 3.12 H new ATOM 0 HD22 LEU A 91 -2.590 1.985 7.419 1.00 3.12 H new ATOM 0 HD23 LEU A 91 -1.074 2.916 7.429 1.00 3.12 H new ATOM 1506 N ASP A 92 -1.405 4.068 11.930 1.00 15.42 N ATOM 1507 CA ASP A 92 -1.686 4.477 13.316 1.00 24.31 C ATOM 1508 C ASP A 92 -2.989 3.811 13.801 1.00 62.15 C ATOM 1509 O ASP A 92 -4.093 4.298 13.550 1.00 71.41 O ATOM 1510 CB ASP A 92 -1.761 6.027 13.405 1.00 54.53 C ATOM 1511 CG ASP A 92 -2.151 6.544 14.804 1.00 63.12 C ATOM 1512 OD1 ASP A 92 -1.347 6.409 15.747 1.00 10.15 O ATOM 1513 OD2 ASP A 92 -3.267 7.082 14.966 1.00 24.31 O ATOM 0 H ASP A 92 -1.619 4.791 11.243 1.00 15.42 H new ATOM 0 HA ASP A 92 -0.879 4.147 13.970 1.00 24.31 H new ATOM 0 HB2 ASP A 92 -0.794 6.446 13.128 1.00 54.53 H new ATOM 0 HB3 ASP A 92 -2.486 6.390 12.677 1.00 54.53 H new ATOM 1518 N LEU A 93 -2.840 2.652 14.455 1.00 11.34 N ATOM 1519 CA LEU A 93 -3.974 1.794 14.857 1.00 70.30 C ATOM 1520 C LEU A 93 -4.036 1.636 16.382 1.00 14.21 C ATOM 1521 O LEU A 93 -4.576 0.643 16.879 1.00 62.23 O ATOM 1522 CB LEU A 93 -3.838 0.411 14.155 1.00 52.21 C ATOM 1523 CG LEU A 93 -3.782 0.443 12.595 1.00 51.41 C ATOM 1524 CD1 LEU A 93 -3.590 -0.969 12.020 1.00 53.32 C ATOM 1525 CD2 LEU A 93 -5.030 1.128 11.999 1.00 31.54 C ATOM 0 H LEU A 93 -1.930 2.278 14.723 1.00 11.34 H new ATOM 0 HA LEU A 93 -4.907 2.264 14.547 1.00 70.30 H new ATOM 0 HB2 LEU A 93 -2.934 -0.074 14.522 1.00 52.21 H new ATOM 0 HB3 LEU A 93 -4.679 -0.213 14.457 1.00 52.21 H new ATOM 0 HG LEU A 93 -2.916 1.039 12.308 1.00 51.41 H new ATOM 0 HD11 LEU A 93 -3.555 -0.917 10.932 1.00 53.32 H new ATOM 0 HD12 LEU A 93 -2.657 -1.390 12.394 1.00 53.32 H new ATOM 0 HD13 LEU A 93 -4.422 -1.603 12.326 1.00 53.32 H new ATOM 0 HD21 LEU A 93 -4.958 1.133 10.911 1.00 31.54 H new ATOM 0 HD22 LEU A 93 -5.924 0.582 12.301 1.00 31.54 H new ATOM 0 HD23 LEU A 93 -5.091 2.154 12.363 1.00 31.54 H new