USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 799 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 73 TYR OH : rot 15:sc= 0.772 USER MOD Set 1.2: A 77 LYS NZ :NH3+ 151:sc= 1.95 (180deg=0.0305) USER MOD Set 2.1: A 65 TYR OH : rot -152:sc= -2.52! USER MOD Set 2.2: B 116 THR OG1 : rot 98:sc= 2.15 USER MOD Set 3.1: A 46 TYR OH : rot -134:sc= 2.33 USER MOD Set 3.2: A 71 LYS NZ :NH3+ -165:sc= 1.3 (180deg=0.00567) USER MOD Set 4.1: A 17 HIS : no HE2:sc= 0.296 K(o=2.4,f=-11!) USER MOD Set 4.2: A 21 LYS NZ :NH3+ 178:sc= 1.03 (180deg=-0.273) USER MOD Set 4.3: B 119 SER OG : rot 84:sc= 1.08 USER MOD Single : A 7 HIS : no HD1:sc= -0.215 X(o=-0.22,f=-0.09) USER MOD Single : A 9 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.0016) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0324 USER MOD Single : A 12 GLN :FLIP amide:sc= -0.019 F(o=-1.3,f=-0.019) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 29 THR OG1 : rot -124:sc= -0.236 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -141:sc= -2.13! (180deg=-3.02!) USER MOD Single : A 42 ASN : amide:sc= -0.41 K(o=-0.41,f=-1.9!) USER MOD Single : A 48 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00713) USER MOD Single : A 49 LYS NZ :NH3+ -159:sc= 0.884 (180deg=0.131) USER MOD Single : A 54 MET CE :methyl 158:sc= -1.15 (180deg=-2.47!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 84:sc= 1.2 USER MOD Single : A 59 ASN : amide:sc= 0.19 K(o=0.19,f=-5!) USER MOD Single : A 60 SER OG : rot -6:sc= 0.411 USER MOD Single : A 64 TYR OH : rot 35:sc= 0.877 USER MOD Single : A 66 HIS : no HE2:sc= 1.2 K(o=1.2,f=-4.3!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.231 K(o=-0.23,f=-1.1) USER MOD Single : A 82 LYS NZ :NH3+ -145:sc= -0.0142 (180deg=-0.26) USER MOD Single : B 110 THR OG1 : rot 40:sc= 0.176 USER MOD Single : B 112 GLN :FLIP amide:sc=-0.00186 F(o=-0.97,f=-0.0019) USER MOD Single : B 117 SER OG : rot 79:sc= 0.934 USER MOD Single : B 141 MET CE :methyl 165:sc= -1.45 (180deg=-2.05) USER MOD Single : B 143 SER OG : rot 180:sc= 0.0948 USER MOD Single : B 147 SER OG : rot 180:sc= 0 USER MOD Single : B 150 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 72 N GLY A 5 22.516 -0.993 -5.366 1.00 0.00 N ATOM 73 CA GLY A 5 23.074 -1.541 -4.137 1.00 0.00 C ATOM 74 C GLY A 5 22.175 -1.393 -2.919 1.00 0.00 C ATOM 75 O GLY A 5 22.330 -2.121 -1.935 1.00 0.00 O ATOM 0 HA2 GLY A 5 23.288 -2.599 -4.289 1.00 0.00 H new ATOM 0 HA3 GLY A 5 24.025 -1.050 -3.933 1.00 0.00 H new ATOM 79 N TRP A 6 21.207 -0.492 -2.990 1.00 0.00 N ATOM 80 CA TRP A 6 20.320 -0.212 -1.852 1.00 0.00 C ATOM 81 C TRP A 6 19.391 -1.382 -1.494 1.00 0.00 C ATOM 82 O TRP A 6 18.698 -1.336 -0.472 1.00 0.00 O ATOM 83 CB TRP A 6 19.514 1.087 -2.060 1.00 0.00 C ATOM 84 CG TRP A 6 18.593 1.107 -3.251 1.00 0.00 C ATOM 85 CD1 TRP A 6 18.895 1.541 -4.493 1.00 0.00 C ATOM 86 CD2 TRP A 6 17.214 0.709 -3.294 1.00 0.00 C ATOM 87 NE1 TRP A 6 17.803 1.452 -5.307 1.00 0.00 N ATOM 88 CE2 TRP A 6 16.755 0.942 -4.594 1.00 0.00 C ATOM 89 CE3 TRP A 6 16.331 0.182 -2.365 1.00 0.00 C ATOM 90 CZ2 TRP A 6 15.443 0.671 -4.986 1.00 0.00 C ATOM 91 CZ3 TRP A 6 15.032 -0.085 -2.757 1.00 0.00 C ATOM 92 CH2 TRP A 6 14.605 0.159 -4.054 1.00 0.00 C ATOM 0 H TRP A 6 21.009 0.063 -3.822 1.00 0.00 H new ATOM 0 HA TRP A 6 20.982 -0.073 -0.997 1.00 0.00 H new ATOM 0 HB2 TRP A 6 18.921 1.271 -1.164 1.00 0.00 H new ATOM 0 HB3 TRP A 6 20.216 1.916 -2.154 1.00 0.00 H new ATOM 0 HD1 TRP A 6 19.864 1.907 -4.799 1.00 0.00 H new ATOM 0 HE1 TRP A 6 17.774 1.723 -6.290 1.00 0.00 H new ATOM 0 HE3 TRP A 6 16.652 -0.017 -1.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 15.109 0.863 -5.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 14.336 -0.492 -2.039 1.00 0.00 H new ATOM 0 HH2 TRP A 6 13.584 -0.064 -4.326 1.00 0.00 H new ATOM 103 N HIS A 7 19.404 -2.433 -2.307 1.00 0.00 N ATOM 104 CA HIS A 7 18.554 -3.605 -2.084 1.00 0.00 C ATOM 105 C HIS A 7 18.885 -4.279 -0.750 1.00 0.00 C ATOM 106 O HIS A 7 18.020 -4.806 -0.090 1.00 0.00 O ATOM 107 CB HIS A 7 18.646 -4.621 -3.264 1.00 0.00 C ATOM 108 CG HIS A 7 19.987 -5.313 -3.467 1.00 0.00 C ATOM 109 ND1 HIS A 7 20.136 -6.678 -3.554 1.00 0.00 N ATOM 110 CD2 HIS A 7 21.224 -4.800 -3.657 1.00 0.00 C ATOM 111 CE1 HIS A 7 21.419 -6.945 -3.790 1.00 0.00 C ATOM 112 NE2 HIS A 7 22.128 -5.831 -3.864 1.00 0.00 N ATOM 0 H HIS A 7 19.998 -2.500 -3.134 1.00 0.00 H new ATOM 0 HA HIS A 7 17.523 -3.254 -2.039 1.00 0.00 H new ATOM 0 HB2 HIS A 7 17.887 -5.388 -3.113 1.00 0.00 H new ATOM 0 HB3 HIS A 7 18.391 -4.097 -4.185 1.00 0.00 H new ATOM 0 HD2 HIS A 7 21.470 -3.748 -3.649 1.00 0.00 H new ATOM 0 HE1 HIS A 7 21.826 -7.939 -3.906 1.00 0.00 H new ATOM 0 HE2 HIS A 7 23.130 -5.748 -4.037 1.00 0.00 H new ATOM 120 N GLU A 8 20.131 -4.183 -0.347 1.00 0.00 N ATOM 121 CA GLU A 8 20.598 -4.782 0.891 1.00 0.00 C ATOM 122 C GLU A 8 20.067 -4.029 2.106 1.00 0.00 C ATOM 123 O GLU A 8 19.977 -4.576 3.217 1.00 0.00 O ATOM 124 CB GLU A 8 22.119 -4.779 0.902 1.00 0.00 C ATOM 125 CG GLU A 8 22.732 -5.665 -0.159 1.00 0.00 C ATOM 126 CD GLU A 8 22.408 -7.111 0.080 1.00 0.00 C ATOM 127 OE1 GLU A 8 23.146 -7.767 0.839 1.00 0.00 O ATOM 128 OE2 GLU A 8 21.402 -7.621 -0.452 1.00 0.00 O ATOM 0 H GLU A 8 20.855 -3.687 -0.867 1.00 0.00 H new ATOM 0 HA GLU A 8 20.226 -5.805 0.945 1.00 0.00 H new ATOM 0 HB2 GLU A 8 22.473 -3.758 0.761 1.00 0.00 H new ATOM 0 HB3 GLU A 8 22.468 -5.105 1.882 1.00 0.00 H new ATOM 0 HG2 GLU A 8 22.365 -5.366 -1.141 1.00 0.00 H new ATOM 0 HG3 GLU A 8 23.814 -5.530 -0.168 1.00 0.00 H new ATOM 135 N HIS A 9 19.700 -2.794 1.887 1.00 0.00 N ATOM 136 CA HIS A 9 19.249 -1.920 2.948 1.00 0.00 C ATOM 137 C HIS A 9 17.766 -2.072 3.176 1.00 0.00 C ATOM 138 O HIS A 9 17.290 -1.980 4.301 1.00 0.00 O ATOM 139 CB HIS A 9 19.629 -0.458 2.647 1.00 0.00 C ATOM 140 CG HIS A 9 21.121 -0.223 2.658 1.00 0.00 C ATOM 141 ND1 HIS A 9 21.771 0.615 3.535 1.00 0.00 N ATOM 142 CD2 HIS A 9 22.097 -0.774 1.885 1.00 0.00 C ATOM 143 CE1 HIS A 9 23.081 0.547 3.284 1.00 0.00 C ATOM 144 NE2 HIS A 9 23.332 -0.289 2.286 1.00 0.00 N ATOM 0 H HIS A 9 19.704 -2.360 0.964 1.00 0.00 H new ATOM 0 HA HIS A 9 19.753 -2.210 3.870 1.00 0.00 H new ATOM 0 HB2 HIS A 9 19.230 -0.178 1.672 1.00 0.00 H new ATOM 0 HB3 HIS A 9 19.159 0.193 3.384 1.00 0.00 H new ATOM 0 HD2 HIS A 9 21.934 -1.480 1.084 1.00 0.00 H new ATOM 0 HE1 HIS A 9 23.836 1.100 3.823 1.00 0.00 H new ATOM 0 HE2 HIS A 9 24.244 -0.526 1.895 1.00 0.00 H new ATOM 152 N VAL A 10 17.044 -2.342 2.124 1.00 0.00 N ATOM 153 CA VAL A 10 15.620 -2.525 2.222 1.00 0.00 C ATOM 154 C VAL A 10 15.307 -3.986 2.544 1.00 0.00 C ATOM 155 O VAL A 10 15.536 -4.898 1.740 1.00 0.00 O ATOM 156 CB VAL A 10 14.899 -2.019 0.937 1.00 0.00 C ATOM 157 CG1 VAL A 10 15.413 -2.658 -0.329 1.00 0.00 C ATOM 158 CG2 VAL A 10 13.384 -2.093 1.042 1.00 0.00 C ATOM 0 H VAL A 10 17.421 -2.441 1.181 1.00 0.00 H new ATOM 0 HA VAL A 10 15.233 -1.920 3.042 1.00 0.00 H new ATOM 0 HB VAL A 10 15.155 -0.962 0.865 1.00 0.00 H new ATOM 0 HG11 VAL A 10 14.867 -2.260 -1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 10 16.475 -2.439 -0.442 1.00 0.00 H new ATOM 0 HG13 VAL A 10 15.269 -3.737 -0.276 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.937 -1.727 0.118 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.081 -3.127 1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.047 -1.478 1.876 1.00 0.00 H new ATOM 168 N THR A 11 14.833 -4.196 3.745 1.00 0.00 N ATOM 169 CA THR A 11 14.552 -5.513 4.229 1.00 0.00 C ATOM 170 C THR A 11 13.328 -6.070 3.529 1.00 0.00 C ATOM 171 O THR A 11 12.406 -5.305 3.183 1.00 0.00 O ATOM 172 CB THR A 11 14.220 -5.426 5.716 1.00 0.00 C ATOM 173 OG1 THR A 11 15.043 -4.414 6.315 1.00 0.00 O ATOM 174 CG2 THR A 11 14.504 -6.743 6.399 1.00 0.00 C ATOM 0 H THR A 11 14.632 -3.452 4.413 1.00 0.00 H new ATOM 0 HA THR A 11 15.417 -6.150 4.047 1.00 0.00 H new ATOM 0 HB THR A 11 13.163 -5.184 5.829 1.00 0.00 H new ATOM 0 HG1 THR A 11 14.837 -4.348 7.271 1.00 0.00 H new ATOM 0 HG21 THR A 11 14.262 -6.663 7.459 1.00 0.00 H new ATOM 0 HG22 THR A 11 13.896 -7.526 5.946 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.559 -6.991 6.286 1.00 0.00 H new ATOM 182 N GLN A 12 13.283 -7.388 3.363 1.00 0.00 N ATOM 183 CA GLN A 12 12.109 -8.037 2.838 1.00 0.00 C ATOM 184 C GLN A 12 10.940 -7.771 3.768 1.00 0.00 C ATOM 185 O GLN A 12 9.826 -7.557 3.330 1.00 0.00 O ATOM 186 CB GLN A 12 12.351 -9.546 2.615 1.00 0.00 C ATOM 187 CG GLN A 12 11.095 -10.347 2.305 1.00 0.00 C ATOM 188 CD GLN A 12 10.625 -11.167 3.499 1.00 0.00 C ATOM 189 OE1 GLN A 12 9.878 -10.570 4.390 1.00 0.00 O flip ATOM 190 NE2 GLN A 12 11.000 -12.320 3.642 1.00 0.00 N flip ATOM 0 H GLN A 12 14.052 -8.019 3.588 1.00 0.00 H new ATOM 0 HA GLN A 12 11.872 -7.624 1.858 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.058 -9.670 1.795 1.00 0.00 H new ATOM 0 HB3 GLN A 12 12.821 -9.961 3.506 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.300 -9.668 1.998 1.00 0.00 H new ATOM 0 HG3 GLN A 12 11.289 -11.012 1.464 1.00 0.00 H new ATOM 0 HE21 GLN A 12 11.582 -12.759 2.929 1.00 0.00 H new ATOM 0 HE22 GLN A 12 10.731 -12.844 4.475 1.00 0.00 H new ATOM 199 N ASP A 13 11.226 -7.764 5.050 1.00 0.00 N ATOM 200 CA ASP A 13 10.244 -7.465 6.092 1.00 0.00 C ATOM 201 C ASP A 13 9.599 -6.088 5.872 1.00 0.00 C ATOM 202 O ASP A 13 8.381 -5.953 5.894 1.00 0.00 O ATOM 203 CB ASP A 13 10.930 -7.498 7.461 1.00 0.00 C ATOM 204 CG ASP A 13 9.974 -7.312 8.613 1.00 0.00 C ATOM 205 OD1 ASP A 13 9.711 -6.167 9.016 1.00 0.00 O ATOM 206 OD2 ASP A 13 9.480 -8.332 9.147 1.00 0.00 O ATOM 0 H ASP A 13 12.157 -7.967 5.413 1.00 0.00 H new ATOM 0 HA ASP A 13 9.458 -8.219 6.049 1.00 0.00 H new ATOM 0 HB2 ASP A 13 11.447 -8.450 7.577 1.00 0.00 H new ATOM 0 HB3 ASP A 13 11.689 -6.717 7.498 1.00 0.00 H new ATOM 211 N LEU A 14 10.433 -5.116 5.516 1.00 0.00 N ATOM 212 CA LEU A 14 10.018 -3.715 5.403 1.00 0.00 C ATOM 213 C LEU A 14 9.129 -3.556 4.186 1.00 0.00 C ATOM 214 O LEU A 14 8.001 -3.065 4.266 1.00 0.00 O ATOM 215 CB LEU A 14 11.305 -2.821 5.317 1.00 0.00 C ATOM 216 CG LEU A 14 11.181 -1.266 5.189 1.00 0.00 C ATOM 217 CD1 LEU A 14 10.776 -0.836 3.807 1.00 0.00 C ATOM 218 CD2 LEU A 14 10.207 -0.699 6.189 1.00 0.00 C ATOM 0 H LEU A 14 11.417 -5.274 5.297 1.00 0.00 H new ATOM 0 HA LEU A 14 9.442 -3.401 6.274 1.00 0.00 H new ATOM 0 HB2 LEU A 14 11.899 -3.025 6.208 1.00 0.00 H new ATOM 0 HB3 LEU A 14 11.883 -3.170 4.461 1.00 0.00 H new ATOM 0 HG LEU A 14 12.176 -0.872 5.396 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.704 0.251 3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.522 -1.174 3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.808 -1.272 3.559 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.149 0.383 6.068 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.222 -1.136 6.025 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.544 -0.933 7.199 1.00 0.00 H new ATOM 230 N ARG A 15 9.626 -4.028 3.078 1.00 0.00 N ATOM 231 CA ARG A 15 8.928 -3.922 1.825 1.00 0.00 C ATOM 232 C ARG A 15 7.635 -4.703 1.823 1.00 0.00 C ATOM 233 O ARG A 15 6.622 -4.238 1.322 1.00 0.00 O ATOM 234 CB ARG A 15 9.822 -4.351 0.693 1.00 0.00 C ATOM 235 CG ARG A 15 10.390 -5.719 0.805 1.00 0.00 C ATOM 236 CD ARG A 15 11.466 -5.908 -0.202 1.00 0.00 C ATOM 237 NE ARG A 15 10.978 -5.649 -1.573 1.00 0.00 N ATOM 238 CZ ARG A 15 11.377 -6.283 -2.671 1.00 0.00 C ATOM 239 NH1 ARG A 15 12.315 -7.221 -2.601 1.00 0.00 N ATOM 240 NH2 ARG A 15 10.822 -5.975 -3.842 1.00 0.00 N ATOM 0 H ARG A 15 10.529 -4.499 3.016 1.00 0.00 H new ATOM 0 HA ARG A 15 8.661 -2.875 1.684 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.257 -4.287 -0.237 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.645 -3.641 0.615 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.788 -5.875 1.808 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.606 -6.461 0.654 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.297 -5.239 0.022 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.851 -6.926 -0.138 1.00 0.00 H new ATOM 0 HE ARG A 15 10.274 -4.920 -1.686 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.733 -7.458 -1.701 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.617 -7.704 -3.447 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.098 -5.258 -3.890 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.121 -6.456 -4.690 1.00 0.00 H new ATOM 254 N SER A 16 7.655 -5.861 2.440 1.00 0.00 N ATOM 255 CA SER A 16 6.501 -6.694 2.476 1.00 0.00 C ATOM 256 C SER A 16 5.472 -6.103 3.450 1.00 0.00 C ATOM 257 O SER A 16 4.266 -6.335 3.316 1.00 0.00 O ATOM 258 CB SER A 16 6.901 -8.126 2.842 1.00 0.00 C ATOM 259 OG SER A 16 5.840 -9.040 2.646 1.00 0.00 O ATOM 0 H SER A 16 8.469 -6.240 2.924 1.00 0.00 H new ATOM 0 HA SER A 16 6.035 -6.734 1.491 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.756 -8.429 2.238 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.219 -8.158 3.884 1.00 0.00 H new ATOM 0 HG SER A 16 6.136 -9.942 2.889 1.00 0.00 H new ATOM 265 N HIS A 17 5.948 -5.304 4.406 1.00 0.00 N ATOM 266 CA HIS A 17 5.064 -4.618 5.321 1.00 0.00 C ATOM 267 C HIS A 17 4.319 -3.507 4.562 1.00 0.00 C ATOM 268 O HIS A 17 3.133 -3.239 4.811 1.00 0.00 O ATOM 269 CB HIS A 17 5.838 -4.034 6.508 1.00 0.00 C ATOM 270 CG HIS A 17 4.938 -3.615 7.620 1.00 0.00 C ATOM 271 ND1 HIS A 17 4.506 -4.461 8.608 1.00 0.00 N ATOM 272 CD2 HIS A 17 4.329 -2.437 7.842 1.00 0.00 C ATOM 273 CE1 HIS A 17 3.654 -3.795 9.376 1.00 0.00 C ATOM 274 NE2 HIS A 17 3.505 -2.551 8.957 1.00 0.00 N ATOM 0 H HIS A 17 6.940 -5.123 4.559 1.00 0.00 H new ATOM 0 HA HIS A 17 4.345 -5.333 5.721 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.547 -4.776 6.877 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.420 -3.176 6.172 1.00 0.00 H new ATOM 0 HD1 HIS A 17 4.790 -5.433 8.731 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.459 -1.544 7.249 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.148 -4.215 10.233 1.00 0.00 H new ATOM 282 N LEU A 18 5.025 -2.863 3.646 1.00 0.00 N ATOM 283 CA LEU A 18 4.429 -1.861 2.753 1.00 0.00 C ATOM 284 C LEU A 18 3.405 -2.538 1.842 1.00 0.00 C ATOM 285 O LEU A 18 2.331 -2.004 1.608 1.00 0.00 O ATOM 286 CB LEU A 18 5.517 -1.135 1.926 1.00 0.00 C ATOM 287 CG LEU A 18 6.354 0.004 2.608 1.00 0.00 C ATOM 288 CD1 LEU A 18 6.354 -0.099 4.120 1.00 0.00 C ATOM 289 CD2 LEU A 18 7.781 -0.108 2.147 1.00 0.00 C ATOM 0 H LEU A 18 6.022 -3.013 3.495 1.00 0.00 H new ATOM 0 HA LEU A 18 3.923 -1.106 3.354 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.217 -1.890 1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.033 -0.708 1.048 1.00 0.00 H new ATOM 0 HG LEU A 18 5.899 0.954 2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.948 0.713 4.540 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.331 -0.029 4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.784 -1.055 4.420 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.376 0.677 2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.180 -1.082 2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.823 -0.001 1.063 1.00 0.00 H new ATOM 301 N VAL A 19 3.747 -3.737 1.370 1.00 0.00 N ATOM 302 CA VAL A 19 2.841 -4.582 0.565 1.00 0.00 C ATOM 303 C VAL A 19 1.563 -4.883 1.369 1.00 0.00 C ATOM 304 O VAL A 19 0.441 -4.774 0.862 1.00 0.00 O ATOM 305 CB VAL A 19 3.540 -5.927 0.181 1.00 0.00 C ATOM 306 CG1 VAL A 19 2.608 -6.866 -0.532 1.00 0.00 C ATOM 307 CG2 VAL A 19 4.742 -5.680 -0.686 1.00 0.00 C ATOM 0 H VAL A 19 4.662 -4.158 1.531 1.00 0.00 H new ATOM 0 HA VAL A 19 2.585 -4.044 -0.348 1.00 0.00 H new ATOM 0 HB VAL A 19 3.850 -6.391 1.117 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.137 -7.786 -0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.760 -7.097 0.113 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.250 -6.397 -1.448 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.210 -6.631 -0.939 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.433 -5.173 -1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.456 -5.056 -0.149 1.00 0.00 H new ATOM 317 N HIS A 20 1.766 -5.251 2.622 1.00 0.00 N ATOM 318 CA HIS A 20 0.695 -5.505 3.578 1.00 0.00 C ATOM 319 C HIS A 20 -0.226 -4.275 3.683 1.00 0.00 C ATOM 320 O HIS A 20 -1.456 -4.382 3.616 1.00 0.00 O ATOM 321 CB HIS A 20 1.330 -5.855 4.940 1.00 0.00 C ATOM 322 CG HIS A 20 0.395 -5.905 6.099 1.00 0.00 C ATOM 323 ND1 HIS A 20 0.446 -5.014 7.144 1.00 0.00 N ATOM 324 CD2 HIS A 20 -0.614 -6.755 6.375 1.00 0.00 C ATOM 325 CE1 HIS A 20 -0.512 -5.334 8.006 1.00 0.00 C ATOM 326 NE2 HIS A 20 -1.191 -6.388 7.590 1.00 0.00 N ATOM 0 H HIS A 20 2.698 -5.385 3.014 1.00 0.00 H new ATOM 0 HA HIS A 20 0.080 -6.342 3.247 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.821 -6.824 4.852 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.107 -5.122 5.156 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.925 -7.584 5.757 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.710 -4.803 8.925 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.975 -6.840 8.060 1.00 0.00 H new ATOM 334 N LYS A 21 0.382 -3.120 3.821 1.00 0.00 N ATOM 335 CA LYS A 21 -0.349 -1.879 3.881 1.00 0.00 C ATOM 336 C LYS A 21 -1.047 -1.557 2.571 1.00 0.00 C ATOM 337 O LYS A 21 -2.155 -1.042 2.587 1.00 0.00 O ATOM 338 CB LYS A 21 0.532 -0.740 4.385 1.00 0.00 C ATOM 339 CG LYS A 21 0.583 -0.682 5.902 1.00 0.00 C ATOM 340 CD LYS A 21 1.670 0.201 6.417 1.00 0.00 C ATOM 341 CE LYS A 21 1.480 0.493 7.902 1.00 0.00 C ATOM 342 NZ LYS A 21 1.304 -0.733 8.718 1.00 0.00 N ATOM 0 H LYS A 21 1.394 -3.016 3.895 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.147 -2.004 4.613 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.542 -0.864 3.994 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.154 0.207 3.999 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.376 -0.326 6.279 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.725 -1.689 6.294 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.637 -0.276 6.257 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.680 1.136 5.857 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.343 1.047 8.271 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.610 1.136 8.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.214 -0.473 9.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.446 -1.234 8.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.129 -1.354 8.595 1.00 0.00 H new ATOM 356 N LEU A 22 -0.406 -1.878 1.446 1.00 0.00 N ATOM 357 CA LEU A 22 -1.019 -1.720 0.123 1.00 0.00 C ATOM 358 C LEU A 22 -2.328 -2.490 0.056 1.00 0.00 C ATOM 359 O LEU A 22 -3.334 -1.956 -0.386 1.00 0.00 O ATOM 360 CB LEU A 22 -0.062 -2.162 -1.001 1.00 0.00 C ATOM 361 CG LEU A 22 1.099 -1.211 -1.336 1.00 0.00 C ATOM 362 CD1 LEU A 22 2.087 -1.887 -2.272 1.00 0.00 C ATOM 363 CD2 LEU A 22 0.563 0.020 -2.025 1.00 0.00 C ATOM 0 H LEU A 22 0.543 -2.251 1.424 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.228 -0.661 -0.028 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.359 -3.130 -0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.649 -2.314 -1.907 1.00 0.00 H new ATOM 0 HG LEU A 22 1.600 -0.942 -0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.902 -1.200 -2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.488 -2.781 -1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.580 -2.166 -3.196 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.387 0.693 -2.262 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.056 -0.270 -2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.142 0.528 -1.367 1.00 0.00 H new ATOM 375 N VAL A 23 -2.302 -3.726 0.548 1.00 0.00 N ATOM 376 CA VAL A 23 -3.493 -4.566 0.653 1.00 0.00 C ATOM 377 C VAL A 23 -4.579 -3.909 1.510 1.00 0.00 C ATOM 378 O VAL A 23 -5.724 -3.826 1.095 1.00 0.00 O ATOM 379 CB VAL A 23 -3.138 -5.982 1.216 1.00 0.00 C ATOM 380 CG1 VAL A 23 -4.312 -6.613 1.973 1.00 0.00 C ATOM 381 CG2 VAL A 23 -2.786 -6.878 0.060 1.00 0.00 C ATOM 0 H VAL A 23 -1.451 -4.175 0.887 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.889 -4.684 -0.356 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.306 -5.870 1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.019 -7.595 2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.589 -5.974 2.812 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.163 -6.719 1.301 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.535 -7.871 0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.637 -6.949 -0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.931 -6.464 -0.474 1.00 0.00 H new ATOM 391 N GLN A 24 -4.214 -3.425 2.682 1.00 0.00 N ATOM 392 CA GLN A 24 -5.210 -2.852 3.575 1.00 0.00 C ATOM 393 C GLN A 24 -5.734 -1.502 3.079 1.00 0.00 C ATOM 394 O GLN A 24 -6.818 -1.067 3.475 1.00 0.00 O ATOM 395 CB GLN A 24 -4.708 -2.738 5.000 1.00 0.00 C ATOM 396 CG GLN A 24 -4.272 -4.047 5.627 1.00 0.00 C ATOM 397 CD GLN A 24 -4.000 -3.897 7.107 1.00 0.00 C ATOM 398 OE1 GLN A 24 -3.586 -2.834 7.577 1.00 0.00 O ATOM 399 NE2 GLN A 24 -4.238 -4.938 7.848 1.00 0.00 N ATOM 0 H GLN A 24 -3.257 -3.415 3.035 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.046 -3.551 3.571 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.868 -2.044 5.020 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.496 -2.302 5.614 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.046 -4.799 5.474 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.373 -4.408 5.127 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.580 -5.800 7.422 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -4.083 -4.893 8.855 1.00 0.00 H new ATOM 408 N ALA A 25 -4.954 -0.820 2.264 1.00 0.00 N ATOM 409 CA ALA A 25 -5.403 0.415 1.687 1.00 0.00 C ATOM 410 C ALA A 25 -6.279 0.174 0.485 1.00 0.00 C ATOM 411 O ALA A 25 -7.267 0.847 0.321 1.00 0.00 O ATOM 412 CB ALA A 25 -4.249 1.273 1.310 1.00 0.00 C ATOM 0 H ALA A 25 -4.013 -1.104 1.992 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.994 0.931 2.443 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.614 2.203 0.875 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.656 1.495 2.197 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.630 0.750 0.581 1.00 0.00 H new ATOM 418 N ILE A 26 -5.908 -0.790 -0.362 1.00 0.00 N ATOM 419 CA ILE A 26 -6.713 -1.083 -1.548 1.00 0.00 C ATOM 420 C ILE A 26 -8.013 -1.739 -1.112 1.00 0.00 C ATOM 421 O ILE A 26 -9.085 -1.505 -1.687 1.00 0.00 O ATOM 422 CB ILE A 26 -5.974 -2.022 -2.597 1.00 0.00 C ATOM 423 CG1 ILE A 26 -6.845 -2.227 -3.833 1.00 0.00 C ATOM 424 CG2 ILE A 26 -5.610 -3.377 -2.017 1.00 0.00 C ATOM 425 CD1 ILE A 26 -6.358 -3.319 -4.774 1.00 0.00 C ATOM 0 H ILE A 26 -5.075 -1.368 -0.252 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.897 -0.135 -2.053 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.048 -1.514 -2.867 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.859 -2.467 -3.512 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.899 -1.288 -4.384 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.108 -3.975 -2.777 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.944 -3.241 -1.165 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.516 -3.889 -1.692 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.036 -3.396 -5.624 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.357 -3.074 -5.129 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.332 -4.271 -4.244 1.00 0.00 H new ATOM 437 N PHE A 27 -7.913 -2.516 -0.066 1.00 0.00 N ATOM 438 CA PHE A 27 -9.005 -3.252 0.437 1.00 0.00 C ATOM 439 C PHE A 27 -9.249 -3.041 1.916 1.00 0.00 C ATOM 440 O PHE A 27 -8.682 -3.751 2.755 1.00 0.00 O ATOM 441 CB PHE A 27 -8.855 -4.737 0.098 1.00 0.00 C ATOM 442 CG PHE A 27 -9.698 -5.146 -1.063 1.00 0.00 C ATOM 443 CD1 PHE A 27 -9.416 -4.688 -2.332 1.00 0.00 C ATOM 444 CD2 PHE A 27 -10.794 -5.956 -0.878 1.00 0.00 C ATOM 445 CE1 PHE A 27 -10.211 -5.033 -3.400 1.00 0.00 C ATOM 446 CE2 PHE A 27 -11.595 -6.300 -1.937 1.00 0.00 C ATOM 447 CZ PHE A 27 -11.304 -5.839 -3.199 1.00 0.00 C ATOM 0 H PHE A 27 -7.048 -2.646 0.458 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.894 -2.866 -0.061 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.809 -4.952 -0.123 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.127 -5.334 0.968 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.559 -4.050 -2.490 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -11.026 -6.325 0.110 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.977 -4.672 -4.391 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -12.455 -6.934 -1.779 1.00 0.00 H new ATOM 0 HZ PHE A 27 -11.935 -6.111 -4.032 1.00 0.00 H new ATOM 457 N PRO A 28 -10.038 -1.996 2.273 1.00 0.00 N ATOM 458 CA PRO A 28 -10.552 -1.829 3.628 1.00 0.00 C ATOM 459 C PRO A 28 -11.566 -2.943 3.907 1.00 0.00 C ATOM 460 O PRO A 28 -12.809 -2.756 3.798 1.00 0.00 O ATOM 461 CB PRO A 28 -11.243 -0.462 3.598 1.00 0.00 C ATOM 462 CG PRO A 28 -11.518 -0.213 2.156 1.00 0.00 C ATOM 463 CD PRO A 28 -10.408 -0.866 1.405 1.00 0.00 C ATOM 0 HA PRO A 28 -9.785 -1.880 4.401 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.164 -0.470 4.182 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.605 0.314 4.020 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.483 -0.629 1.866 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.555 0.856 1.945 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.731 -1.203 0.420 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.571 -0.185 1.250 1.00 0.00 H new ATOM 471 N THR A 29 -11.014 -4.092 4.168 1.00 0.00 N ATOM 472 CA THR A 29 -11.703 -5.332 4.319 1.00 0.00 C ATOM 473 C THR A 29 -12.818 -5.279 5.377 1.00 0.00 C ATOM 474 O THR A 29 -12.718 -4.567 6.382 1.00 0.00 O ATOM 475 CB THR A 29 -10.681 -6.465 4.646 1.00 0.00 C ATOM 476 OG1 THR A 29 -11.323 -7.742 4.644 1.00 0.00 O ATOM 477 CG2 THR A 29 -10.010 -6.233 5.999 1.00 0.00 C ATOM 0 H THR A 29 -10.006 -4.189 4.288 1.00 0.00 H new ATOM 0 HA THR A 29 -12.197 -5.545 3.371 1.00 0.00 H new ATOM 0 HB THR A 29 -9.916 -6.447 3.870 1.00 0.00 H new ATOM 0 HG1 THR A 29 -11.171 -8.186 5.505 1.00 0.00 H new ATOM 0 HG21 THR A 29 -9.304 -7.039 6.198 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.479 -5.281 5.983 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.768 -6.213 6.782 1.00 0.00 H new ATOM 485 N PRO A 30 -13.921 -5.987 5.128 1.00 0.00 N ATOM 486 CA PRO A 30 -14.998 -6.106 6.091 1.00 0.00 C ATOM 487 C PRO A 30 -14.535 -6.888 7.327 1.00 0.00 C ATOM 488 O PRO A 30 -14.882 -6.552 8.463 1.00 0.00 O ATOM 489 CB PRO A 30 -16.076 -6.897 5.333 1.00 0.00 C ATOM 490 CG PRO A 30 -15.339 -7.611 4.253 1.00 0.00 C ATOM 491 CD PRO A 30 -14.221 -6.699 3.864 1.00 0.00 C ATOM 0 HA PRO A 30 -15.350 -5.140 6.452 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -16.588 -7.598 5.992 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.836 -6.234 4.921 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -14.959 -8.570 4.605 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -15.990 -7.818 3.404 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -13.357 -7.253 3.497 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -14.518 -6.010 3.073 1.00 0.00 H new ATOM 499 N ASP A 31 -13.698 -7.881 7.098 1.00 0.00 N ATOM 500 CA ASP A 31 -13.234 -8.765 8.152 1.00 0.00 C ATOM 501 C ASP A 31 -11.838 -9.231 7.816 1.00 0.00 C ATOM 502 O ASP A 31 -11.532 -9.451 6.644 1.00 0.00 O ATOM 503 CB ASP A 31 -14.136 -9.988 8.227 1.00 0.00 C ATOM 504 CG ASP A 31 -13.786 -10.937 9.352 1.00 0.00 C ATOM 505 OD1 ASP A 31 -14.244 -10.740 10.497 1.00 0.00 O ATOM 506 OD2 ASP A 31 -13.044 -11.899 9.104 1.00 0.00 O ATOM 0 H ASP A 31 -13.320 -8.099 6.176 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.247 -8.232 9.103 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -15.168 -9.660 8.349 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.082 -10.526 7.281 1.00 0.00 H new ATOM 511 N PRO A 32 -10.959 -9.360 8.805 1.00 0.00 N ATOM 512 CA PRO A 32 -9.591 -9.856 8.607 1.00 0.00 C ATOM 513 C PRO A 32 -9.480 -11.225 7.888 1.00 0.00 C ATOM 514 O PRO A 32 -8.433 -11.547 7.328 1.00 0.00 O ATOM 515 CB PRO A 32 -9.028 -9.981 10.015 1.00 0.00 C ATOM 516 CG PRO A 32 -10.170 -9.762 10.941 1.00 0.00 C ATOM 517 CD PRO A 32 -11.185 -8.968 10.204 1.00 0.00 C ATOM 0 HA PRO A 32 -9.054 -9.168 7.953 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.584 -10.964 10.171 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.242 -9.246 10.186 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -10.589 -10.714 11.268 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -9.844 -9.233 11.837 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.198 -9.204 10.531 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -11.044 -7.897 10.351 1.00 0.00 H new ATOM 525 N ALA A 33 -10.529 -12.029 7.886 1.00 0.00 N ATOM 526 CA ALA A 33 -10.445 -13.320 7.231 1.00 0.00 C ATOM 527 C ALA A 33 -10.637 -13.221 5.719 1.00 0.00 C ATOM 528 O ALA A 33 -10.362 -14.173 4.988 1.00 0.00 O ATOM 529 CB ALA A 33 -11.369 -14.342 7.849 1.00 0.00 C ATOM 0 H ALA A 33 -11.428 -11.818 8.319 1.00 0.00 H new ATOM 0 HA ALA A 33 -9.428 -13.676 7.396 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -11.267 -15.291 7.322 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -11.109 -14.480 8.898 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -12.399 -13.994 7.774 1.00 0.00 H new ATOM 535 N ALA A 34 -11.068 -12.068 5.232 1.00 0.00 N ATOM 536 CA ALA A 34 -11.165 -11.867 3.787 1.00 0.00 C ATOM 537 C ALA A 34 -9.755 -11.654 3.223 1.00 0.00 C ATOM 538 O ALA A 34 -9.505 -11.769 2.026 1.00 0.00 O ATOM 539 CB ALA A 34 -12.068 -10.688 3.464 1.00 0.00 C ATOM 0 H ALA A 34 -11.352 -11.269 5.799 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.609 -12.748 3.324 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.124 -10.558 2.383 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -13.066 -10.875 3.860 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.662 -9.784 3.917 1.00 0.00 H new ATOM 545 N LEU A 35 -8.827 -11.429 4.136 1.00 0.00 N ATOM 546 CA LEU A 35 -7.434 -11.193 3.827 1.00 0.00 C ATOM 547 C LEU A 35 -6.690 -12.523 3.656 1.00 0.00 C ATOM 548 O LEU A 35 -5.473 -12.545 3.555 1.00 0.00 O ATOM 549 CB LEU A 35 -6.801 -10.392 4.956 1.00 0.00 C ATOM 550 CG LEU A 35 -7.503 -9.087 5.321 1.00 0.00 C ATOM 551 CD1 LEU A 35 -6.961 -8.560 6.620 1.00 0.00 C ATOM 552 CD2 LEU A 35 -7.338 -8.054 4.227 1.00 0.00 C ATOM 0 H LEU A 35 -9.029 -11.405 5.135 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.365 -10.635 2.893 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.761 -11.022 5.845 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.771 -10.164 4.681 1.00 0.00 H new ATOM 0 HG LEU A 35 -8.568 -9.291 5.433 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.467 -7.628 6.874 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.131 -9.292 7.409 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.891 -8.376 6.520 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.848 -7.135 4.515 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.278 -7.849 4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.769 -8.433 3.300 1.00 0.00 H new ATOM 564 N LYS A 36 -7.428 -13.625 3.663 1.00 0.00 N ATOM 565 CA LYS A 36 -6.849 -14.945 3.412 1.00 0.00 C ATOM 566 C LYS A 36 -7.712 -15.706 2.403 1.00 0.00 C ATOM 567 O LYS A 36 -7.645 -16.920 2.286 1.00 0.00 O ATOM 568 CB LYS A 36 -6.667 -15.749 4.718 1.00 0.00 C ATOM 569 CG LYS A 36 -7.943 -15.979 5.514 1.00 0.00 C ATOM 570 CD LYS A 36 -7.711 -16.842 6.753 1.00 0.00 C ATOM 571 CE LYS A 36 -6.733 -16.204 7.730 1.00 0.00 C ATOM 572 NZ LYS A 36 -6.517 -17.035 8.933 1.00 0.00 N ATOM 0 H LYS A 36 -8.432 -13.634 3.840 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.854 -14.808 2.989 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.230 -16.717 4.473 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.950 -15.227 5.352 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.357 -15.017 5.817 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.685 -16.458 4.875 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.663 -17.014 7.256 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.331 -17.817 6.447 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.779 -16.039 7.229 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.109 -15.226 8.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.844 -16.559 9.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.422 -17.172 9.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.133 -17.960 8.652 1.00 0.00 H new ATOM 586 N ASP A 37 -8.501 -14.955 1.659 1.00 0.00 N ATOM 587 CA ASP A 37 -9.395 -15.507 0.631 1.00 0.00 C ATOM 588 C ASP A 37 -8.631 -15.640 -0.683 1.00 0.00 C ATOM 589 O ASP A 37 -7.486 -15.208 -0.774 1.00 0.00 O ATOM 590 CB ASP A 37 -10.574 -14.544 0.437 1.00 0.00 C ATOM 591 CG ASP A 37 -11.579 -14.979 -0.588 1.00 0.00 C ATOM 592 OD1 ASP A 37 -12.249 -15.988 -0.383 1.00 0.00 O ATOM 593 OD2 ASP A 37 -11.637 -14.350 -1.657 1.00 0.00 O ATOM 0 H ASP A 37 -8.548 -13.940 1.743 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.759 -16.487 0.939 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -11.082 -14.417 1.393 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.184 -13.567 0.151 1.00 0.00 H new ATOM 598 N ARG A 38 -9.247 -16.214 -1.694 1.00 0.00 N ATOM 599 CA ARG A 38 -8.650 -16.301 -3.007 1.00 0.00 C ATOM 600 C ARG A 38 -8.493 -14.898 -3.618 1.00 0.00 C ATOM 601 O ARG A 38 -7.636 -14.672 -4.474 1.00 0.00 O ATOM 602 CB ARG A 38 -9.467 -17.190 -3.944 1.00 0.00 C ATOM 603 CG ARG A 38 -10.774 -16.594 -4.488 1.00 0.00 C ATOM 604 CD ARG A 38 -11.932 -16.775 -3.536 1.00 0.00 C ATOM 605 NE ARG A 38 -12.357 -18.182 -3.454 1.00 0.00 N ATOM 606 CZ ARG A 38 -13.182 -18.707 -2.528 1.00 0.00 C ATOM 607 NH1 ARG A 38 -13.553 -18.002 -1.469 1.00 0.00 N ATOM 608 NH2 ARG A 38 -13.582 -19.965 -2.640 1.00 0.00 N ATOM 0 H ARG A 38 -10.175 -16.633 -1.628 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.666 -16.755 -2.889 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.837 -17.462 -4.791 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.707 -18.113 -3.416 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.631 -15.531 -4.684 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.015 -17.064 -5.442 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.646 -16.423 -2.545 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.771 -16.160 -3.863 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.993 -18.818 -4.164 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.213 -17.048 -1.347 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.178 -18.413 -0.776 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.265 -20.533 -3.426 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.207 -20.366 -1.940 1.00 0.00 H new ATOM 622 N ARG A 39 -9.334 -13.956 -3.172 1.00 0.00 N ATOM 623 CA ARG A 39 -9.232 -12.572 -3.608 1.00 0.00 C ATOM 624 C ARG A 39 -7.919 -12.002 -3.099 1.00 0.00 C ATOM 625 O ARG A 39 -7.290 -11.169 -3.749 1.00 0.00 O ATOM 626 CB ARG A 39 -10.394 -11.742 -3.062 1.00 0.00 C ATOM 627 CG ARG A 39 -10.462 -10.330 -3.628 1.00 0.00 C ATOM 628 CD ARG A 39 -11.575 -9.516 -2.995 1.00 0.00 C ATOM 629 NE ARG A 39 -12.901 -10.119 -3.162 1.00 0.00 N ATOM 630 CZ ARG A 39 -14.058 -9.442 -3.231 1.00 0.00 C ATOM 631 NH1 ARG A 39 -14.062 -8.119 -3.341 1.00 0.00 N ATOM 632 NH2 ARG A 39 -15.203 -10.106 -3.234 1.00 0.00 N ATOM 0 H ARG A 39 -10.089 -14.134 -2.510 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.269 -12.535 -4.697 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.330 -12.256 -3.281 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.308 -11.684 -1.977 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.508 -9.828 -3.465 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -10.617 -10.379 -4.706 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.369 -9.397 -1.931 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -11.580 -8.518 -3.432 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.948 -11.136 -3.231 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -13.180 -7.607 -3.374 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -14.947 -7.614 -3.393 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -15.202 -11.125 -3.184 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -16.086 -9.599 -3.286 1.00 0.00 H new ATOM 646 N MET A 40 -7.495 -12.503 -1.948 1.00 0.00 N ATOM 647 CA MET A 40 -6.254 -12.097 -1.329 1.00 0.00 C ATOM 648 C MET A 40 -5.071 -12.387 -2.197 1.00 0.00 C ATOM 649 O MET A 40 -4.210 -11.540 -2.309 1.00 0.00 O ATOM 650 CB MET A 40 -6.088 -12.699 0.079 1.00 0.00 C ATOM 651 CG MET A 40 -4.651 -12.727 0.658 1.00 0.00 C ATOM 652 SD MET A 40 -3.772 -11.144 0.610 1.00 0.00 S ATOM 653 CE MET A 40 -4.950 -10.041 1.329 1.00 0.00 C ATOM 0 H MET A 40 -8.010 -13.207 -1.419 1.00 0.00 H new ATOM 0 HA MET A 40 -6.304 -11.015 -1.211 1.00 0.00 H new ATOM 0 HB2 MET A 40 -6.721 -12.137 0.766 1.00 0.00 H new ATOM 0 HB3 MET A 40 -6.467 -13.721 0.059 1.00 0.00 H new ATOM 0 HG2 MET A 40 -4.699 -13.067 1.693 1.00 0.00 H new ATOM 0 HG3 MET A 40 -4.068 -13.465 0.107 1.00 0.00 H new ATOM 0 HE1 MET A 40 -4.927 -9.089 0.799 1.00 0.00 H new ATOM 0 HE2 MET A 40 -5.947 -10.474 1.254 1.00 0.00 H new ATOM 0 HE3 MET A 40 -4.703 -9.878 2.378 1.00 0.00 H new ATOM 663 N GLU A 41 -5.049 -13.526 -2.890 1.00 0.00 N ATOM 664 CA GLU A 41 -3.862 -13.805 -3.679 1.00 0.00 C ATOM 665 C GLU A 41 -3.719 -12.777 -4.784 1.00 0.00 C ATOM 666 O GLU A 41 -2.633 -12.367 -5.086 1.00 0.00 O ATOM 667 CB GLU A 41 -3.752 -15.269 -4.169 1.00 0.00 C ATOM 668 CG GLU A 41 -4.624 -15.713 -5.344 1.00 0.00 C ATOM 669 CD GLU A 41 -4.155 -15.202 -6.683 1.00 0.00 C ATOM 670 OE1 GLU A 41 -2.989 -15.458 -7.051 1.00 0.00 O ATOM 671 OE2 GLU A 41 -4.947 -14.593 -7.406 1.00 0.00 O ATOM 0 H GLU A 41 -5.790 -14.226 -2.921 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.002 -13.705 -3.017 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.712 -15.450 -4.441 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.978 -15.919 -3.324 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.651 -16.802 -5.372 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.645 -15.373 -5.174 1.00 0.00 H new ATOM 678 N ASN A 42 -4.856 -12.320 -5.298 1.00 0.00 N ATOM 679 CA ASN A 42 -4.912 -11.270 -6.310 1.00 0.00 C ATOM 680 C ASN A 42 -4.428 -9.946 -5.729 1.00 0.00 C ATOM 681 O ASN A 42 -3.610 -9.256 -6.324 1.00 0.00 O ATOM 682 CB ASN A 42 -6.362 -11.128 -6.835 1.00 0.00 C ATOM 683 CG ASN A 42 -6.586 -9.892 -7.710 1.00 0.00 C ATOM 684 OD1 ASN A 42 -6.379 -9.925 -8.922 1.00 0.00 O ATOM 685 ND2 ASN A 42 -7.045 -8.812 -7.104 1.00 0.00 N ATOM 0 H ASN A 42 -5.773 -12.671 -5.022 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.258 -11.541 -7.139 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.619 -12.019 -7.408 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.043 -11.088 -5.985 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.240 -7.968 -7.643 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.205 -8.821 -6.097 1.00 0.00 H new ATOM 692 N LEU A 43 -4.921 -9.629 -4.547 1.00 0.00 N ATOM 693 CA LEU A 43 -4.604 -8.380 -3.858 1.00 0.00 C ATOM 694 C LEU A 43 -3.150 -8.307 -3.465 1.00 0.00 C ATOM 695 O LEU A 43 -2.492 -7.302 -3.713 1.00 0.00 O ATOM 696 CB LEU A 43 -5.491 -8.224 -2.635 1.00 0.00 C ATOM 697 CG LEU A 43 -6.989 -8.212 -2.914 1.00 0.00 C ATOM 698 CD1 LEU A 43 -7.773 -8.152 -1.619 1.00 0.00 C ATOM 699 CD2 LEU A 43 -7.352 -7.050 -3.823 1.00 0.00 C ATOM 0 H LEU A 43 -5.559 -10.233 -4.028 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.794 -7.560 -4.551 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.274 -9.037 -1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.225 -7.296 -2.130 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.252 -9.138 -3.425 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.840 -8.144 -1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.535 -9.023 -1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.508 -7.245 -1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.426 -7.057 -4.012 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.074 -6.112 -3.343 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.817 -7.146 -4.768 1.00 0.00 H new ATOM 711 N VAL A 44 -2.636 -9.364 -2.880 1.00 0.00 N ATOM 712 CA VAL A 44 -1.265 -9.368 -2.460 1.00 0.00 C ATOM 713 C VAL A 44 -0.342 -9.481 -3.677 1.00 0.00 C ATOM 714 O VAL A 44 0.738 -8.911 -3.685 1.00 0.00 O ATOM 715 CB VAL A 44 -0.962 -10.456 -1.380 1.00 0.00 C ATOM 716 CG1 VAL A 44 -1.002 -11.869 -1.924 1.00 0.00 C ATOM 717 CG2 VAL A 44 0.335 -10.167 -0.649 1.00 0.00 C ATOM 0 H VAL A 44 -3.148 -10.225 -2.687 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.067 -8.416 -1.968 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.773 -10.397 -0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.783 -12.574 -1.122 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.993 -12.075 -2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.259 -11.976 -2.714 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.514 -10.944 0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.159 -10.151 -1.362 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.265 -9.199 -0.153 1.00 0.00 H new ATOM 727 N ALA A 45 -0.804 -10.180 -4.724 1.00 0.00 N ATOM 728 CA ALA A 45 -0.045 -10.283 -5.977 1.00 0.00 C ATOM 729 C ALA A 45 0.083 -8.896 -6.594 1.00 0.00 C ATOM 730 O ALA A 45 1.165 -8.492 -7.031 1.00 0.00 O ATOM 731 CB ALA A 45 -0.701 -11.261 -6.969 1.00 0.00 C ATOM 0 H ALA A 45 -1.694 -10.679 -4.728 1.00 0.00 H new ATOM 0 HA ALA A 45 0.944 -10.681 -5.751 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.107 -11.307 -7.882 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.754 -12.253 -6.521 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.707 -10.917 -7.208 1.00 0.00 H new ATOM 737 N TYR A 46 -1.032 -8.168 -6.585 1.00 0.00 N ATOM 738 CA TYR A 46 -1.106 -6.769 -7.015 1.00 0.00 C ATOM 739 C TYR A 46 -0.191 -5.908 -6.166 1.00 0.00 C ATOM 740 O TYR A 46 0.569 -5.115 -6.687 1.00 0.00 O ATOM 741 CB TYR A 46 -2.581 -6.272 -6.924 1.00 0.00 C ATOM 742 CG TYR A 46 -2.799 -4.750 -6.791 1.00 0.00 C ATOM 743 CD1 TYR A 46 -2.790 -4.129 -5.530 1.00 0.00 C ATOM 744 CD2 TYR A 46 -3.030 -3.945 -7.894 1.00 0.00 C ATOM 745 CE1 TYR A 46 -2.996 -2.767 -5.395 1.00 0.00 C ATOM 746 CE2 TYR A 46 -3.238 -2.580 -7.742 1.00 0.00 C ATOM 747 CZ TYR A 46 -3.217 -2.008 -6.508 1.00 0.00 C ATOM 748 OH TYR A 46 -3.429 -0.648 -6.397 1.00 0.00 O ATOM 0 H TYR A 46 -1.929 -8.540 -6.273 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.774 -6.692 -8.050 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.109 -6.614 -7.814 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.050 -6.758 -6.068 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.619 -4.728 -4.647 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.049 -4.382 -8.881 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.982 -2.308 -4.417 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.418 -1.967 -8.612 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.190 -0.389 -6.957 1.00 0.00 H new ATOM 758 N ALA A 47 -0.259 -6.075 -4.873 1.00 0.00 N ATOM 759 CA ALA A 47 0.546 -5.292 -3.972 1.00 0.00 C ATOM 760 C ALA A 47 2.033 -5.544 -4.217 1.00 0.00 C ATOM 761 O ALA A 47 2.803 -4.614 -4.338 1.00 0.00 O ATOM 762 CB ALA A 47 0.149 -5.569 -2.540 1.00 0.00 C ATOM 0 H ALA A 47 -0.869 -6.752 -4.416 1.00 0.00 H new ATOM 0 HA ALA A 47 0.366 -4.234 -4.163 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.765 -4.971 -1.869 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.900 -5.310 -2.397 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.295 -6.627 -2.320 1.00 0.00 H new ATOM 768 N LYS A 48 2.398 -6.808 -4.361 1.00 0.00 N ATOM 769 CA LYS A 48 3.778 -7.210 -4.648 1.00 0.00 C ATOM 770 C LYS A 48 4.252 -6.665 -6.003 1.00 0.00 C ATOM 771 O LYS A 48 5.395 -6.226 -6.143 1.00 0.00 O ATOM 772 CB LYS A 48 3.895 -8.738 -4.641 1.00 0.00 C ATOM 773 CG LYS A 48 3.768 -9.393 -3.267 1.00 0.00 C ATOM 774 CD LYS A 48 3.629 -10.907 -3.402 1.00 0.00 C ATOM 775 CE LYS A 48 3.558 -11.619 -2.045 1.00 0.00 C ATOM 776 NZ LYS A 48 4.819 -11.545 -1.274 1.00 0.00 N ATOM 0 H LYS A 48 1.749 -7.591 -4.283 1.00 0.00 H new ATOM 0 HA LYS A 48 4.414 -6.790 -3.869 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.125 -9.148 -5.294 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.858 -9.015 -5.070 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.644 -9.156 -2.663 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.901 -8.988 -2.744 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.730 -11.135 -3.975 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.475 -11.296 -3.968 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.754 -11.180 -1.455 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.300 -12.666 -2.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.719 -12.088 -0.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.596 -11.943 -1.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.029 -10.552 -1.047 1.00 0.00 H new ATOM 790 N LYS A 49 3.379 -6.689 -6.994 1.00 0.00 N ATOM 791 CA LYS A 49 3.745 -6.228 -8.325 1.00 0.00 C ATOM 792 C LYS A 49 3.850 -4.693 -8.367 1.00 0.00 C ATOM 793 O LYS A 49 4.720 -4.133 -9.052 1.00 0.00 O ATOM 794 CB LYS A 49 2.762 -6.758 -9.387 1.00 0.00 C ATOM 795 CG LYS A 49 1.396 -6.188 -9.342 1.00 0.00 C ATOM 796 CD LYS A 49 0.554 -6.768 -10.438 1.00 0.00 C ATOM 797 CE LYS A 49 -0.699 -5.961 -10.676 1.00 0.00 C ATOM 798 NZ LYS A 49 -1.368 -6.405 -11.906 1.00 0.00 N ATOM 0 H LYS A 49 2.418 -7.020 -6.906 1.00 0.00 H new ATOM 0 HA LYS A 49 4.729 -6.632 -8.563 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.184 -6.565 -10.373 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.688 -7.840 -9.278 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.939 -6.396 -8.374 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.443 -5.104 -9.445 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.137 -6.812 -11.358 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.282 -7.792 -10.183 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.375 -6.068 -9.828 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.449 -4.903 -10.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.996 -5.651 -12.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.654 -6.620 -12.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.928 -7.259 -11.708 1.00 0.00 H new ATOM 812 N VAL A 50 2.972 -4.029 -7.626 1.00 0.00 N ATOM 813 CA VAL A 50 2.981 -2.580 -7.504 1.00 0.00 C ATOM 814 C VAL A 50 4.231 -2.141 -6.754 1.00 0.00 C ATOM 815 O VAL A 50 4.952 -1.243 -7.202 1.00 0.00 O ATOM 816 CB VAL A 50 1.676 -2.069 -6.802 1.00 0.00 C ATOM 817 CG1 VAL A 50 1.790 -0.622 -6.367 1.00 0.00 C ATOM 818 CG2 VAL A 50 0.495 -2.207 -7.751 1.00 0.00 C ATOM 0 H VAL A 50 2.232 -4.484 -7.091 1.00 0.00 H new ATOM 0 HA VAL A 50 3.002 -2.136 -8.499 1.00 0.00 H new ATOM 0 HB VAL A 50 1.527 -2.680 -5.912 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.862 -0.313 -5.886 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.616 -0.518 -5.663 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.974 0.006 -7.238 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.410 -1.851 -7.259 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.678 -1.615 -8.648 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.370 -3.254 -8.027 1.00 0.00 H new ATOM 828 N GLU A 51 4.502 -2.839 -5.657 1.00 0.00 N ATOM 829 CA GLU A 51 5.678 -2.627 -4.828 1.00 0.00 C ATOM 830 C GLU A 51 6.922 -2.735 -5.702 1.00 0.00 C ATOM 831 O GLU A 51 7.757 -1.850 -5.696 1.00 0.00 O ATOM 832 CB GLU A 51 5.662 -3.680 -3.693 1.00 0.00 C ATOM 833 CG GLU A 51 6.756 -3.610 -2.625 1.00 0.00 C ATOM 834 CD GLU A 51 8.091 -4.213 -3.044 1.00 0.00 C ATOM 835 OE1 GLU A 51 8.099 -5.199 -3.815 1.00 0.00 O ATOM 836 OE2 GLU A 51 9.141 -3.762 -2.573 1.00 0.00 O ATOM 0 H GLU A 51 3.896 -3.584 -5.314 1.00 0.00 H new ATOM 0 HA GLU A 51 5.681 -1.636 -4.374 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.699 -3.610 -3.188 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.709 -4.667 -4.154 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.913 -2.566 -2.353 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.405 -4.124 -1.730 1.00 0.00 H new ATOM 843 N GLY A 52 6.972 -3.791 -6.510 1.00 0.00 N ATOM 844 CA GLY A 52 8.083 -4.019 -7.421 1.00 0.00 C ATOM 845 C GLY A 52 8.280 -2.894 -8.415 1.00 0.00 C ATOM 846 O GLY A 52 9.407 -2.478 -8.666 1.00 0.00 O ATOM 0 H GLY A 52 6.247 -4.507 -6.550 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.998 -4.149 -6.843 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.914 -4.949 -7.964 1.00 0.00 H new ATOM 850 N ASP A 53 7.184 -2.386 -8.952 1.00 0.00 N ATOM 851 CA ASP A 53 7.222 -1.285 -9.924 1.00 0.00 C ATOM 852 C ASP A 53 7.895 -0.072 -9.338 1.00 0.00 C ATOM 853 O ASP A 53 8.875 0.431 -9.887 1.00 0.00 O ATOM 854 CB ASP A 53 5.816 -0.928 -10.389 1.00 0.00 C ATOM 855 CG ASP A 53 5.818 0.144 -11.460 1.00 0.00 C ATOM 856 OD1 ASP A 53 6.109 -0.173 -12.640 1.00 0.00 O ATOM 857 OD2 ASP A 53 5.544 1.318 -11.152 1.00 0.00 O ATOM 0 H ASP A 53 6.244 -2.716 -8.734 1.00 0.00 H new ATOM 0 HA ASP A 53 7.801 -1.620 -10.784 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.325 -1.822 -10.774 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.230 -0.585 -9.536 1.00 0.00 H new ATOM 862 N MET A 54 7.407 0.359 -8.212 1.00 0.00 N ATOM 863 CA MET A 54 7.962 1.522 -7.517 1.00 0.00 C ATOM 864 C MET A 54 9.338 1.254 -6.920 1.00 0.00 C ATOM 865 O MET A 54 10.179 2.151 -6.862 1.00 0.00 O ATOM 866 CB MET A 54 6.966 2.113 -6.514 1.00 0.00 C ATOM 867 CG MET A 54 6.215 1.136 -5.674 1.00 0.00 C ATOM 868 SD MET A 54 4.506 1.682 -5.397 1.00 0.00 S ATOM 869 CE MET A 54 3.946 1.976 -7.085 1.00 0.00 C ATOM 0 H MET A 54 6.615 -0.073 -7.736 1.00 0.00 H new ATOM 0 HA MET A 54 8.128 2.292 -8.270 1.00 0.00 H new ATOM 0 HB2 MET A 54 7.508 2.788 -5.852 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.244 2.717 -7.064 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.213 0.161 -6.161 1.00 0.00 H new ATOM 0 HG3 MET A 54 6.720 1.013 -4.716 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.857 1.931 -7.120 1.00 0.00 H new ATOM 0 HE2 MET A 54 4.280 2.961 -7.413 1.00 0.00 H new ATOM 0 HE3 MET A 54 4.362 1.214 -7.744 1.00 0.00 H new ATOM 879 N TYR A 55 9.578 0.019 -6.529 1.00 0.00 N ATOM 880 CA TYR A 55 10.882 -0.429 -6.045 1.00 0.00 C ATOM 881 C TYR A 55 11.919 -0.245 -7.161 1.00 0.00 C ATOM 882 O TYR A 55 12.980 0.350 -6.964 1.00 0.00 O ATOM 883 CB TYR A 55 10.779 -1.922 -5.647 1.00 0.00 C ATOM 884 CG TYR A 55 12.058 -2.589 -5.205 1.00 0.00 C ATOM 885 CD1 TYR A 55 12.922 -3.151 -6.135 1.00 0.00 C ATOM 886 CD2 TYR A 55 12.395 -2.674 -3.866 1.00 0.00 C ATOM 887 CE1 TYR A 55 14.079 -3.768 -5.751 1.00 0.00 C ATOM 888 CE2 TYR A 55 13.560 -3.297 -3.473 1.00 0.00 C ATOM 889 CZ TYR A 55 14.396 -3.839 -4.424 1.00 0.00 C ATOM 890 OH TYR A 55 15.561 -4.451 -4.046 1.00 0.00 O ATOM 0 H TYR A 55 8.870 -0.715 -6.536 1.00 0.00 H new ATOM 0 HA TYR A 55 11.189 0.154 -5.176 1.00 0.00 H new ATOM 0 HB2 TYR A 55 10.051 -2.011 -4.841 1.00 0.00 H new ATOM 0 HB3 TYR A 55 10.381 -2.476 -6.498 1.00 0.00 H new ATOM 0 HD1 TYR A 55 12.674 -3.099 -7.185 1.00 0.00 H new ATOM 0 HD2 TYR A 55 11.739 -2.248 -3.121 1.00 0.00 H new ATOM 0 HE1 TYR A 55 14.738 -4.197 -6.491 1.00 0.00 H new ATOM 0 HE2 TYR A 55 13.816 -3.360 -2.426 1.00 0.00 H new ATOM 0 HH TYR A 55 15.645 -4.420 -3.070 1.00 0.00 H new ATOM 900 N GLU A 56 11.584 -0.729 -8.339 1.00 0.00 N ATOM 901 CA GLU A 56 12.464 -0.628 -9.482 1.00 0.00 C ATOM 902 C GLU A 56 12.540 0.769 -10.045 1.00 0.00 C ATOM 903 O GLU A 56 13.544 1.160 -10.651 1.00 0.00 O ATOM 904 CB GLU A 56 12.116 -1.660 -10.531 1.00 0.00 C ATOM 905 CG GLU A 56 12.508 -3.050 -10.098 1.00 0.00 C ATOM 906 CD GLU A 56 14.004 -3.188 -10.012 1.00 0.00 C ATOM 907 OE1 GLU A 56 14.629 -2.604 -9.102 1.00 0.00 O ATOM 908 OE2 GLU A 56 14.593 -3.825 -10.905 1.00 0.00 O ATOM 0 H GLU A 56 10.700 -1.200 -8.529 1.00 0.00 H new ATOM 0 HA GLU A 56 13.471 -0.850 -9.129 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.045 -1.629 -10.730 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.621 -1.414 -11.465 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.063 -3.271 -9.128 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.112 -3.780 -10.804 1.00 0.00 H new ATOM 915 N SER A 57 11.532 1.511 -9.802 1.00 0.00 N ATOM 916 CA SER A 57 11.446 2.870 -10.233 1.00 0.00 C ATOM 917 C SER A 57 12.310 3.802 -9.365 1.00 0.00 C ATOM 918 O SER A 57 12.913 4.752 -9.873 1.00 0.00 O ATOM 919 CB SER A 57 9.978 3.284 -10.259 1.00 0.00 C ATOM 920 OG SER A 57 9.299 2.658 -11.343 1.00 0.00 O ATOM 0 H SER A 57 10.714 1.191 -9.283 1.00 0.00 H new ATOM 0 HA SER A 57 11.851 2.959 -11.241 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.501 3.011 -9.318 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.902 4.367 -10.352 1.00 0.00 H new ATOM 0 HG SER A 57 9.011 1.761 -11.074 1.00 0.00 H new ATOM 926 N ALA A 58 12.415 3.509 -8.087 1.00 0.00 N ATOM 927 CA ALA A 58 13.197 4.339 -7.188 1.00 0.00 C ATOM 928 C ALA A 58 14.648 3.891 -7.118 1.00 0.00 C ATOM 929 O ALA A 58 14.994 2.769 -7.523 1.00 0.00 O ATOM 930 CB ALA A 58 12.595 4.357 -5.812 1.00 0.00 C ATOM 0 H ALA A 58 11.971 2.704 -7.645 1.00 0.00 H new ATOM 0 HA ALA A 58 13.179 5.350 -7.594 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.200 4.986 -5.158 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.582 4.756 -5.863 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.566 3.343 -5.414 1.00 0.00 H new ATOM 936 N ASN A 59 15.481 4.763 -6.584 1.00 0.00 N ATOM 937 CA ASN A 59 16.924 4.530 -6.470 1.00 0.00 C ATOM 938 C ASN A 59 17.339 4.546 -5.009 1.00 0.00 C ATOM 939 O ASN A 59 18.528 4.661 -4.675 1.00 0.00 O ATOM 940 CB ASN A 59 17.704 5.625 -7.220 1.00 0.00 C ATOM 941 CG ASN A 59 17.456 7.031 -6.643 1.00 0.00 C ATOM 942 OD1 ASN A 59 16.369 7.333 -6.128 1.00 0.00 O ATOM 943 ND2 ASN A 59 18.444 7.881 -6.697 1.00 0.00 N ATOM 0 H ASN A 59 15.181 5.664 -6.211 1.00 0.00 H new ATOM 0 HA ASN A 59 17.150 3.558 -6.908 1.00 0.00 H new ATOM 0 HB2 ASN A 59 18.770 5.401 -7.176 1.00 0.00 H new ATOM 0 HB3 ASN A 59 17.419 5.613 -8.272 1.00 0.00 H new ATOM 0 HD21 ASN A 59 18.332 8.818 -6.310 1.00 0.00 H new ATOM 0 HD22 ASN A 59 19.328 7.608 -7.126 1.00 0.00 H new ATOM 950 N SER A 60 16.376 4.442 -4.152 1.00 0.00 N ATOM 951 CA SER A 60 16.586 4.380 -2.733 1.00 0.00 C ATOM 952 C SER A 60 15.374 3.749 -2.143 1.00 0.00 C ATOM 953 O SER A 60 14.279 3.887 -2.706 1.00 0.00 O ATOM 954 CB SER A 60 16.753 5.767 -2.141 1.00 0.00 C ATOM 955 OG SER A 60 17.808 6.487 -2.773 1.00 0.00 O ATOM 0 H SER A 60 15.393 4.396 -4.422 1.00 0.00 H new ATOM 0 HA SER A 60 17.491 3.812 -2.518 1.00 0.00 H new ATOM 0 HB2 SER A 60 15.821 6.322 -2.245 1.00 0.00 H new ATOM 0 HB3 SER A 60 16.957 5.685 -1.073 1.00 0.00 H new ATOM 0 HG SER A 60 18.276 5.898 -3.401 1.00 0.00 H new ATOM 961 N ARG A 61 15.526 3.063 -1.042 1.00 0.00 N ATOM 962 CA ARG A 61 14.371 2.428 -0.443 1.00 0.00 C ATOM 963 C ARG A 61 13.483 3.449 0.176 1.00 0.00 C ATOM 964 O ARG A 61 12.302 3.339 0.121 1.00 0.00 O ATOM 965 CB ARG A 61 14.703 1.306 0.548 1.00 0.00 C ATOM 966 CG ARG A 61 15.249 1.703 1.912 1.00 0.00 C ATOM 967 CD ARG A 61 16.540 2.407 1.806 1.00 0.00 C ATOM 968 NE ARG A 61 17.177 2.541 3.116 1.00 0.00 N ATOM 969 CZ ARG A 61 17.842 3.610 3.578 1.00 0.00 C ATOM 970 NH1 ARG A 61 17.865 4.749 2.897 1.00 0.00 N ATOM 971 NH2 ARG A 61 18.426 3.548 4.763 1.00 0.00 N ATOM 0 H ARG A 61 16.409 2.928 -0.549 1.00 0.00 H new ATOM 0 HA ARG A 61 13.845 1.933 -1.260 1.00 0.00 H new ATOM 0 HB2 ARG A 61 13.797 0.721 0.707 1.00 0.00 H new ATOM 0 HB3 ARG A 61 15.430 0.646 0.075 1.00 0.00 H new ATOM 0 HG2 ARG A 61 14.527 2.343 2.419 1.00 0.00 H new ATOM 0 HG3 ARG A 61 15.372 0.811 2.527 1.00 0.00 H new ATOM 0 HD2 ARG A 61 17.200 1.862 1.131 1.00 0.00 H new ATOM 0 HD3 ARG A 61 16.384 3.394 1.371 1.00 0.00 H new ATOM 0 HE ARG A 61 17.108 1.739 3.742 1.00 0.00 H new ATOM 0 HH11 ARG A 61 17.372 4.821 2.007 1.00 0.00 H new ATOM 0 HH12 ARG A 61 18.376 5.552 3.264 1.00 0.00 H new ATOM 0 HH21 ARG A 61 18.368 2.693 5.316 1.00 0.00 H new ATOM 0 HH22 ARG A 61 18.934 4.355 5.124 1.00 0.00 H new ATOM 985 N ASP A 62 14.080 4.479 0.706 1.00 0.00 N ATOM 986 CA ASP A 62 13.362 5.562 1.312 1.00 0.00 C ATOM 987 C ASP A 62 12.629 6.351 0.250 1.00 0.00 C ATOM 988 O ASP A 62 11.535 6.821 0.484 1.00 0.00 O ATOM 989 CB ASP A 62 14.302 6.434 2.167 1.00 0.00 C ATOM 990 CG ASP A 62 15.549 6.868 1.433 1.00 0.00 C ATOM 991 OD1 ASP A 62 16.338 5.981 1.009 1.00 0.00 O ATOM 992 OD2 ASP A 62 15.763 8.073 1.252 1.00 0.00 O ATOM 0 H ASP A 62 15.094 4.590 0.729 1.00 0.00 H new ATOM 0 HA ASP A 62 12.612 5.164 1.995 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.760 7.318 2.503 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.589 5.878 3.060 1.00 0.00 H new ATOM 997 N GLU A 63 13.208 6.417 -0.944 1.00 0.00 N ATOM 998 CA GLU A 63 12.545 7.045 -2.082 1.00 0.00 C ATOM 999 C GLU A 63 11.324 6.211 -2.463 1.00 0.00 C ATOM 1000 O GLU A 63 10.207 6.713 -2.529 1.00 0.00 O ATOM 1001 CB GLU A 63 13.485 7.121 -3.285 1.00 0.00 C ATOM 1002 CG GLU A 63 12.867 7.793 -4.509 1.00 0.00 C ATOM 1003 CD GLU A 63 12.648 9.270 -4.309 1.00 0.00 C ATOM 1004 OE1 GLU A 63 13.645 10.016 -4.271 1.00 0.00 O ATOM 1005 OE2 GLU A 63 11.498 9.708 -4.224 1.00 0.00 O ATOM 0 H GLU A 63 14.135 6.044 -1.149 1.00 0.00 H new ATOM 0 HA GLU A 63 12.251 8.056 -1.802 1.00 0.00 H new ATOM 0 HB2 GLU A 63 14.384 7.666 -2.998 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.797 6.112 -3.555 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.517 7.639 -5.371 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.914 7.316 -4.739 1.00 0.00 H new ATOM 1012 N TYR A 64 11.558 4.907 -2.645 1.00 0.00 N ATOM 1013 CA TYR A 64 10.532 3.966 -3.060 1.00 0.00 C ATOM 1014 C TYR A 64 9.421 3.888 -2.025 1.00 0.00 C ATOM 1015 O TYR A 64 8.252 3.845 -2.357 1.00 0.00 O ATOM 1016 CB TYR A 64 11.186 2.590 -3.381 1.00 0.00 C ATOM 1017 CG TYR A 64 10.628 1.400 -2.675 1.00 0.00 C ATOM 1018 CD1 TYR A 64 9.539 0.721 -3.180 1.00 0.00 C ATOM 1019 CD2 TYR A 64 11.190 0.966 -1.491 1.00 0.00 C ATOM 1020 CE1 TYR A 64 9.023 -0.359 -2.530 1.00 0.00 C ATOM 1021 CE2 TYR A 64 10.675 -0.118 -0.826 1.00 0.00 C ATOM 1022 CZ TYR A 64 9.590 -0.776 -1.356 1.00 0.00 C ATOM 1023 OH TYR A 64 9.075 -1.852 -0.720 1.00 0.00 O ATOM 0 H TYR A 64 12.474 4.480 -2.505 1.00 0.00 H new ATOM 0 HA TYR A 64 10.055 4.312 -3.977 1.00 0.00 H new ATOM 0 HB2 TYR A 64 11.105 2.417 -4.454 1.00 0.00 H new ATOM 0 HB3 TYR A 64 12.249 2.656 -3.148 1.00 0.00 H new ATOM 0 HD1 TYR A 64 9.089 1.051 -4.105 1.00 0.00 H new ATOM 0 HD2 TYR A 64 12.045 1.486 -1.084 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.172 -0.883 -2.938 1.00 0.00 H new ATOM 0 HE2 TYR A 64 11.116 -0.450 0.102 1.00 0.00 H new ATOM 0 HH TYR A 64 8.761 -2.504 -1.381 1.00 0.00 H new ATOM 1033 N TYR A 65 9.815 3.924 -0.792 1.00 0.00 N ATOM 1034 CA TYR A 65 8.925 3.910 0.325 1.00 0.00 C ATOM 1035 C TYR A 65 8.018 5.132 0.288 1.00 0.00 C ATOM 1036 O TYR A 65 6.805 5.016 0.401 1.00 0.00 O ATOM 1037 CB TYR A 65 9.780 3.910 1.568 1.00 0.00 C ATOM 1038 CG TYR A 65 9.074 3.924 2.856 1.00 0.00 C ATOM 1039 CD1 TYR A 65 7.950 3.204 3.038 1.00 0.00 C ATOM 1040 CD2 TYR A 65 9.581 4.621 3.914 1.00 0.00 C ATOM 1041 CE1 TYR A 65 7.339 3.180 4.226 1.00 0.00 C ATOM 1042 CE2 TYR A 65 9.000 4.590 5.124 1.00 0.00 C ATOM 1043 CZ TYR A 65 7.879 3.877 5.285 1.00 0.00 C ATOM 1044 OH TYR A 65 7.317 3.825 6.502 1.00 0.00 O ATOM 0 H TYR A 65 10.799 3.965 -0.526 1.00 0.00 H new ATOM 0 HA TYR A 65 8.282 3.030 0.306 1.00 0.00 H new ATOM 0 HB2 TYR A 65 10.420 3.028 1.541 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.435 4.780 1.530 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.538 2.640 2.214 1.00 0.00 H new ATOM 0 HD2 TYR A 65 10.473 5.213 3.774 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.426 2.617 4.356 1.00 0.00 H new ATOM 0 HE2 TYR A 65 9.430 5.131 5.954 1.00 0.00 H new ATOM 0 HH TYR A 65 7.517 4.651 6.990 1.00 0.00 H new ATOM 1054 N HIS A 66 8.612 6.283 0.064 1.00 0.00 N ATOM 1055 CA HIS A 66 7.867 7.525 0.033 1.00 0.00 C ATOM 1056 C HIS A 66 6.981 7.649 -1.181 1.00 0.00 C ATOM 1057 O HIS A 66 5.829 8.035 -1.044 1.00 0.00 O ATOM 1058 CB HIS A 66 8.760 8.753 0.225 1.00 0.00 C ATOM 1059 CG HIS A 66 9.160 8.964 1.661 1.00 0.00 C ATOM 1060 ND1 HIS A 66 10.273 8.418 2.232 1.00 0.00 N ATOM 1061 CD2 HIS A 66 8.543 9.661 2.648 1.00 0.00 C ATOM 1062 CE1 HIS A 66 10.310 8.772 3.511 1.00 0.00 C ATOM 1063 NE2 HIS A 66 9.279 9.532 3.823 1.00 0.00 N ATOM 0 H HIS A 66 9.613 6.386 -0.100 1.00 0.00 H new ATOM 0 HA HIS A 66 7.200 7.489 0.894 1.00 0.00 H new ATOM 0 HB2 HIS A 66 9.657 8.644 -0.385 1.00 0.00 H new ATOM 0 HB3 HIS A 66 8.236 9.638 -0.135 1.00 0.00 H new ATOM 0 HD1 HIS A 66 10.961 7.835 1.756 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.628 10.225 2.540 1.00 0.00 H new ATOM 0 HE1 HIS A 66 11.083 8.476 4.205 1.00 0.00 H new ATOM 1071 N LEU A 67 7.480 7.292 -2.353 1.00 0.00 N ATOM 1072 CA LEU A 67 6.667 7.376 -3.554 1.00 0.00 C ATOM 1073 C LEU A 67 5.510 6.339 -3.553 1.00 0.00 C ATOM 1074 O LEU A 67 4.406 6.606 -4.082 1.00 0.00 O ATOM 1075 CB LEU A 67 7.523 7.400 -4.876 1.00 0.00 C ATOM 1076 CG LEU A 67 8.546 6.272 -5.135 1.00 0.00 C ATOM 1077 CD1 LEU A 67 7.902 4.950 -5.266 1.00 0.00 C ATOM 1078 CD2 LEU A 67 9.339 6.536 -6.381 1.00 0.00 C ATOM 0 H LEU A 67 8.429 6.947 -2.498 1.00 0.00 H new ATOM 0 HA LEU A 67 6.176 8.349 -3.538 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.828 7.411 -5.716 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.065 8.345 -4.898 1.00 0.00 H new ATOM 0 HG LEU A 67 9.205 6.260 -4.267 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.663 4.191 -5.447 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.365 4.714 -4.347 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.201 4.968 -6.101 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.051 5.726 -6.538 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.665 6.597 -7.235 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.878 7.477 -6.276 1.00 0.00 H new ATOM 1090 N LEU A 68 5.735 5.184 -2.917 1.00 0.00 N ATOM 1091 CA LEU A 68 4.689 4.186 -2.821 1.00 0.00 C ATOM 1092 C LEU A 68 3.681 4.669 -1.797 1.00 0.00 C ATOM 1093 O LEU A 68 2.476 4.501 -1.979 1.00 0.00 O ATOM 1094 CB LEU A 68 5.262 2.772 -2.488 1.00 0.00 C ATOM 1095 CG LEU A 68 5.447 2.341 -1.034 1.00 0.00 C ATOM 1096 CD1 LEU A 68 4.136 1.824 -0.457 1.00 0.00 C ATOM 1097 CD2 LEU A 68 6.490 1.275 -0.949 1.00 0.00 C ATOM 0 H LEU A 68 6.617 4.929 -2.472 1.00 0.00 H new ATOM 0 HA LEU A 68 4.193 4.067 -3.784 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.609 2.039 -2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.234 2.695 -2.974 1.00 0.00 H new ATOM 0 HG LEU A 68 5.766 3.207 -0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.289 1.522 0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.384 2.612 -0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.795 0.967 -1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.617 0.972 0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.180 0.415 -1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.435 1.659 -1.333 1.00 0.00 H new ATOM 1109 N ALA A 69 4.194 5.275 -0.705 1.00 0.00 N ATOM 1110 CA ALA A 69 3.370 5.908 0.286 1.00 0.00 C ATOM 1111 C ALA A 69 2.442 6.935 -0.360 1.00 0.00 C ATOM 1112 O ALA A 69 1.294 6.996 -0.022 1.00 0.00 O ATOM 1113 CB ALA A 69 4.236 6.542 1.349 1.00 0.00 C ATOM 0 H ALA A 69 5.193 5.326 -0.507 1.00 0.00 H new ATOM 0 HA ALA A 69 2.744 5.153 0.761 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.603 7.020 2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.846 5.775 1.827 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.885 7.289 0.892 1.00 0.00 H new ATOM 1119 N GLU A 70 2.960 7.697 -1.326 1.00 0.00 N ATOM 1120 CA GLU A 70 2.165 8.683 -2.093 1.00 0.00 C ATOM 1121 C GLU A 70 1.021 7.991 -2.834 1.00 0.00 C ATOM 1122 O GLU A 70 -0.136 8.431 -2.794 1.00 0.00 O ATOM 1123 CB GLU A 70 3.048 9.353 -3.129 1.00 0.00 C ATOM 1124 CG GLU A 70 4.217 10.124 -2.556 1.00 0.00 C ATOM 1125 CD GLU A 70 3.814 11.357 -1.798 1.00 0.00 C ATOM 1126 OE1 GLU A 70 3.322 12.316 -2.410 1.00 0.00 O ATOM 1127 OE2 GLU A 70 4.017 11.410 -0.572 1.00 0.00 O ATOM 0 H GLU A 70 3.940 7.655 -1.605 1.00 0.00 H new ATOM 0 HA GLU A 70 1.765 9.415 -1.391 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.430 8.591 -3.809 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.437 10.033 -3.723 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.783 9.469 -1.893 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.885 10.410 -3.368 1.00 0.00 H new ATOM 1134 N LYS A 71 1.360 6.918 -3.523 1.00 0.00 N ATOM 1135 CA LYS A 71 0.384 6.137 -4.268 1.00 0.00 C ATOM 1136 C LYS A 71 -0.671 5.540 -3.343 1.00 0.00 C ATOM 1137 O LYS A 71 -1.876 5.683 -3.578 1.00 0.00 O ATOM 1138 CB LYS A 71 1.123 5.076 -5.140 1.00 0.00 C ATOM 1139 CG LYS A 71 0.674 3.606 -5.075 1.00 0.00 C ATOM 1140 CD LYS A 71 -0.677 3.377 -5.742 1.00 0.00 C ATOM 1141 CE LYS A 71 -0.974 1.905 -5.965 1.00 0.00 C ATOM 1142 NZ LYS A 71 -2.137 1.703 -6.878 1.00 0.00 N ATOM 0 H LYS A 71 2.314 6.562 -3.584 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.166 6.787 -4.948 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.048 5.396 -6.179 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.179 5.109 -4.871 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.424 2.979 -5.557 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.618 3.292 -4.033 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.462 3.813 -5.124 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.699 3.898 -6.699 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.094 1.417 -6.385 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.177 1.427 -5.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.467 0.719 -6.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.907 2.347 -6.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.848 1.902 -7.857 1.00 0.00 H new ATOM 1156 N ILE A 72 -0.238 4.931 -2.282 1.00 0.00 N ATOM 1157 CA ILE A 72 -1.152 4.290 -1.393 1.00 0.00 C ATOM 1158 C ILE A 72 -2.033 5.346 -0.679 1.00 0.00 C ATOM 1159 O ILE A 72 -3.218 5.134 -0.453 1.00 0.00 O ATOM 1160 CB ILE A 72 -0.420 3.346 -0.406 1.00 0.00 C ATOM 1161 CG1 ILE A 72 -1.401 2.437 0.231 1.00 0.00 C ATOM 1162 CG2 ILE A 72 0.366 4.081 0.652 1.00 0.00 C ATOM 1163 CD1 ILE A 72 -0.824 1.621 1.363 1.00 0.00 C ATOM 0 H ILE A 72 0.743 4.865 -2.012 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.818 3.652 -1.974 1.00 0.00 H new ATOM 0 HB ILE A 72 0.304 2.777 -0.989 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.237 3.026 0.608 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.802 1.762 -0.525 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.853 3.361 1.309 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.121 4.706 0.176 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.308 4.707 1.236 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.600 0.979 1.781 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.007 1.005 0.988 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.449 2.289 2.138 1.00 0.00 H new ATOM 1175 N TYR A 73 -1.431 6.489 -0.412 1.00 0.00 N ATOM 1176 CA TYR A 73 -2.074 7.669 0.152 1.00 0.00 C ATOM 1177 C TYR A 73 -3.267 8.100 -0.699 1.00 0.00 C ATOM 1178 O TYR A 73 -4.404 8.242 -0.182 1.00 0.00 O ATOM 1179 CB TYR A 73 -0.998 8.778 0.220 1.00 0.00 C ATOM 1180 CG TYR A 73 -1.442 10.218 0.357 1.00 0.00 C ATOM 1181 CD1 TYR A 73 -1.802 10.950 -0.767 1.00 0.00 C ATOM 1182 CD2 TYR A 73 -1.450 10.855 1.575 1.00 0.00 C ATOM 1183 CE1 TYR A 73 -2.163 12.264 -0.676 1.00 0.00 C ATOM 1184 CE2 TYR A 73 -1.816 12.175 1.675 1.00 0.00 C ATOM 1185 CZ TYR A 73 -2.170 12.871 0.545 1.00 0.00 C ATOM 1186 OH TYR A 73 -2.545 14.185 0.646 1.00 0.00 O ATOM 0 H TYR A 73 -0.436 6.631 -0.589 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.467 7.460 1.147 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.345 8.553 1.063 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.391 8.704 -0.682 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.796 10.470 -1.734 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.165 10.311 2.464 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -2.440 12.816 -1.562 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -1.825 12.664 2.638 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.994 14.461 -0.180 1.00 0.00 H new ATOM 1196 N LYS A 74 -3.022 8.291 -2.003 1.00 0.00 N ATOM 1197 CA LYS A 74 -4.059 8.760 -2.900 1.00 0.00 C ATOM 1198 C LYS A 74 -5.167 7.725 -2.988 1.00 0.00 C ATOM 1199 O LYS A 74 -6.330 8.080 -3.066 1.00 0.00 O ATOM 1200 CB LYS A 74 -3.522 9.113 -4.316 1.00 0.00 C ATOM 1201 CG LYS A 74 -3.162 7.912 -5.165 1.00 0.00 C ATOM 1202 CD LYS A 74 -2.727 8.265 -6.579 1.00 0.00 C ATOM 1203 CE LYS A 74 -1.440 9.064 -6.619 1.00 0.00 C ATOM 1204 NZ LYS A 74 -0.974 9.259 -8.007 1.00 0.00 N ATOM 0 H LYS A 74 -2.118 8.126 -2.447 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.454 9.687 -2.484 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.275 9.701 -4.841 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.640 9.745 -4.210 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.359 7.361 -4.675 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.022 7.244 -5.216 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.597 7.348 -7.153 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.518 8.836 -7.065 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.596 10.033 -6.146 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.671 8.548 -6.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.091 9.809 -8.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.803 8.333 -8.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.699 9.772 -8.548 1.00 0.00 H new ATOM 1218 N ILE A 75 -4.795 6.448 -2.913 1.00 0.00 N ATOM 1219 CA ILE A 75 -5.755 5.369 -2.968 1.00 0.00 C ATOM 1220 C ILE A 75 -6.700 5.431 -1.766 1.00 0.00 C ATOM 1221 O ILE A 75 -7.921 5.345 -1.925 1.00 0.00 O ATOM 1222 CB ILE A 75 -5.039 3.961 -3.102 1.00 0.00 C ATOM 1223 CG1 ILE A 75 -4.827 3.555 -4.581 1.00 0.00 C ATOM 1224 CG2 ILE A 75 -5.779 2.852 -2.366 1.00 0.00 C ATOM 1225 CD1 ILE A 75 -4.079 4.547 -5.446 1.00 0.00 C ATOM 0 H ILE A 75 -3.827 6.144 -2.813 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.361 5.492 -3.866 1.00 0.00 H new ATOM 0 HB ILE A 75 -4.064 4.086 -2.630 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.288 2.608 -4.602 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.804 3.377 -5.031 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.243 1.911 -2.492 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.839 3.096 -1.305 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.786 2.754 -2.773 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.992 4.154 -6.459 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.622 5.492 -5.469 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.083 4.711 -5.034 1.00 0.00 H new ATOM 1237 N GLN A 76 -6.137 5.669 -0.594 1.00 0.00 N ATOM 1238 CA GLN A 76 -6.915 5.683 0.632 1.00 0.00 C ATOM 1239 C GLN A 76 -7.922 6.798 0.644 1.00 0.00 C ATOM 1240 O GLN A 76 -9.126 6.563 0.844 1.00 0.00 O ATOM 1241 CB GLN A 76 -6.027 5.757 1.861 1.00 0.00 C ATOM 1242 CG GLN A 76 -5.045 4.622 1.923 1.00 0.00 C ATOM 1243 CD GLN A 76 -4.408 4.446 3.279 1.00 0.00 C ATOM 1244 OE1 GLN A 76 -5.007 4.744 4.308 1.00 0.00 O ATOM 1245 NE2 GLN A 76 -3.193 3.960 3.297 1.00 0.00 N ATOM 0 H GLN A 76 -5.142 5.855 -0.466 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.459 4.739 0.664 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.486 6.703 1.859 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.648 5.747 2.757 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.553 3.698 1.647 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.263 4.789 1.183 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.725 3.723 2.422 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.714 3.818 4.186 1.00 0.00 H new ATOM 1254 N LYS A 77 -7.467 8.013 0.384 1.00 0.00 N ATOM 1255 CA LYS A 77 -8.366 9.110 0.430 1.00 0.00 C ATOM 1256 C LYS A 77 -9.345 9.119 -0.712 1.00 0.00 C ATOM 1257 O LYS A 77 -10.460 9.581 -0.541 1.00 0.00 O ATOM 1258 CB LYS A 77 -7.638 10.392 0.562 1.00 0.00 C ATOM 1259 CG LYS A 77 -6.526 10.593 -0.436 1.00 0.00 C ATOM 1260 CD LYS A 77 -5.864 11.916 -0.204 1.00 0.00 C ATOM 1261 CE LYS A 77 -5.415 12.096 1.251 1.00 0.00 C ATOM 1262 NZ LYS A 77 -5.036 13.488 1.563 1.00 0.00 N ATOM 0 H LYS A 77 -6.502 8.243 0.146 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.972 8.984 1.327 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.351 11.210 0.461 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.221 10.455 1.567 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -5.795 9.790 -0.345 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.924 10.549 -1.450 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -5.000 12.008 -0.862 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -6.554 12.717 -0.470 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.221 11.785 1.916 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.567 11.440 1.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.215 13.679 2.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.026 13.627 1.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -5.600 14.140 0.981 1.00 0.00 H new ATOM 1276 N GLU A 78 -8.941 8.567 -1.855 1.00 0.00 N ATOM 1277 CA GLU A 78 -9.816 8.491 -3.006 1.00 0.00 C ATOM 1278 C GLU A 78 -10.997 7.625 -2.661 1.00 0.00 C ATOM 1279 O GLU A 78 -12.138 8.057 -2.791 1.00 0.00 O ATOM 1280 CB GLU A 78 -9.088 7.903 -4.222 1.00 0.00 C ATOM 1281 CG GLU A 78 -9.908 7.856 -5.513 1.00 0.00 C ATOM 1282 CD GLU A 78 -10.387 9.206 -6.025 1.00 0.00 C ATOM 1283 OE1 GLU A 78 -9.976 10.273 -5.504 1.00 0.00 O ATOM 1284 OE2 GLU A 78 -11.183 9.222 -6.985 1.00 0.00 O ATOM 0 H GLU A 78 -8.013 8.169 -2.001 1.00 0.00 H new ATOM 0 HA GLU A 78 -10.143 9.498 -3.264 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -8.187 8.489 -4.404 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.766 6.891 -3.978 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.307 7.383 -6.290 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -10.777 7.218 -5.350 1.00 0.00 H new ATOM 1291 N LEU A 79 -10.721 6.425 -2.151 1.00 0.00 N ATOM 1292 CA LEU A 79 -11.778 5.499 -1.854 1.00 0.00 C ATOM 1293 C LEU A 79 -12.701 5.999 -0.779 1.00 0.00 C ATOM 1294 O LEU A 79 -13.905 5.846 -0.907 1.00 0.00 O ATOM 1295 CB LEU A 79 -11.279 4.056 -1.608 1.00 0.00 C ATOM 1296 CG LEU A 79 -10.311 3.785 -0.444 1.00 0.00 C ATOM 1297 CD1 LEU A 79 -11.022 3.681 0.899 1.00 0.00 C ATOM 1298 CD2 LEU A 79 -9.516 2.543 -0.727 1.00 0.00 C ATOM 0 H LEU A 79 -9.781 6.087 -1.942 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.381 5.439 -2.760 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -12.156 3.427 -1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.795 3.716 -2.523 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.638 4.639 -0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.291 3.489 1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -11.543 4.615 1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.742 2.864 0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.831 2.353 0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.192 1.696 -0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.947 2.677 -1.647 1.00 0.00 H new ATOM 1310 N GLU A 80 -12.165 6.637 0.254 1.00 0.00 N ATOM 1311 CA GLU A 80 -13.033 7.113 1.294 1.00 0.00 C ATOM 1312 C GLU A 80 -13.917 8.253 0.811 1.00 0.00 C ATOM 1313 O GLU A 80 -15.114 8.214 1.025 1.00 0.00 O ATOM 1314 CB GLU A 80 -12.312 7.437 2.619 1.00 0.00 C ATOM 1315 CG GLU A 80 -11.275 8.530 2.552 1.00 0.00 C ATOM 1316 CD GLU A 80 -10.699 8.877 3.911 1.00 0.00 C ATOM 1317 OE1 GLU A 80 -9.755 8.209 4.363 1.00 0.00 O ATOM 1318 OE2 GLU A 80 -11.187 9.840 4.556 1.00 0.00 O ATOM 0 H GLU A 80 -11.171 6.826 0.383 1.00 0.00 H new ATOM 0 HA GLU A 80 -13.687 6.276 1.538 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.061 7.718 3.359 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.832 6.528 2.981 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.468 8.219 1.889 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.722 9.422 2.113 1.00 0.00 H new ATOM 1325 N GLU A 81 -13.358 9.217 0.081 1.00 0.00 N ATOM 1326 CA GLU A 81 -14.159 10.349 -0.360 1.00 0.00 C ATOM 1327 C GLU A 81 -15.198 9.948 -1.413 1.00 0.00 C ATOM 1328 O GLU A 81 -16.368 10.319 -1.293 1.00 0.00 O ATOM 1329 CB GLU A 81 -13.309 11.557 -0.829 1.00 0.00 C ATOM 1330 CG GLU A 81 -12.415 11.296 -2.029 1.00 0.00 C ATOM 1331 CD GLU A 81 -11.667 12.520 -2.485 1.00 0.00 C ATOM 1332 OE1 GLU A 81 -12.214 13.285 -3.309 1.00 0.00 O ATOM 1333 OE2 GLU A 81 -10.520 12.735 -2.056 1.00 0.00 O ATOM 0 H GLU A 81 -12.380 9.236 -0.209 1.00 0.00 H new ATOM 0 HA GLU A 81 -14.701 10.684 0.524 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.981 12.381 -1.070 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.686 11.886 0.003 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.700 10.513 -1.778 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -13.023 10.921 -2.853 1.00 0.00 H new ATOM 1340 N LYS A 82 -14.799 9.152 -2.409 1.00 0.00 N ATOM 1341 CA LYS A 82 -15.731 8.792 -3.467 1.00 0.00 C ATOM 1342 C LYS A 82 -16.773 7.795 -3.033 1.00 0.00 C ATOM 1343 O LYS A 82 -17.909 7.846 -3.493 1.00 0.00 O ATOM 1344 CB LYS A 82 -15.040 8.394 -4.803 1.00 0.00 C ATOM 1345 CG LYS A 82 -14.129 7.174 -4.796 1.00 0.00 C ATOM 1346 CD LYS A 82 -14.872 5.863 -4.716 1.00 0.00 C ATOM 1347 CE LYS A 82 -13.968 4.726 -5.069 1.00 0.00 C ATOM 1348 NZ LYS A 82 -13.751 4.642 -6.534 1.00 0.00 N ATOM 0 H LYS A 82 -13.863 8.757 -2.500 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.271 9.714 -3.682 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -15.820 8.225 -5.546 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -14.454 9.247 -5.144 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -13.519 7.182 -5.700 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -13.446 7.247 -3.950 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -15.266 5.723 -3.710 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -15.726 5.880 -5.393 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -13.010 4.851 -4.564 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -14.399 3.792 -4.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.670 3.644 -6.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.555 5.078 -7.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.876 5.145 -6.785 1.00 0.00 H new ATOM 1587 N THR B 110 0.183 11.683 8.282 1.00 0.00 N ATOM 1588 CA THR B 110 -0.519 10.565 8.837 1.00 0.00 C ATOM 1589 C THR B 110 -0.076 9.277 8.155 1.00 0.00 C ATOM 1590 O THR B 110 0.312 8.327 8.812 1.00 0.00 O ATOM 1591 CB THR B 110 -2.031 10.755 8.617 1.00 0.00 C ATOM 1592 OG1 THR B 110 -2.441 12.024 9.148 1.00 0.00 O ATOM 1593 CG2 THR B 110 -2.819 9.650 9.277 1.00 0.00 C ATOM 0 HA THR B 110 -0.300 10.501 9.903 1.00 0.00 H new ATOM 0 HB THR B 110 -2.228 10.723 7.545 1.00 0.00 H new ATOM 0 HG1 THR B 110 -1.759 12.699 8.947 1.00 0.00 H new ATOM 0 HG21 THR B 110 -3.883 9.810 9.105 1.00 0.00 H new ATOM 0 HG22 THR B 110 -2.523 8.690 8.854 1.00 0.00 H new ATOM 0 HG23 THR B 110 -2.620 9.651 10.349 1.00 0.00 H new ATOM 1601 N LEU B 111 -0.071 9.295 6.837 1.00 0.00 N ATOM 1602 CA LEU B 111 0.246 8.123 6.052 1.00 0.00 C ATOM 1603 C LEU B 111 1.683 7.672 6.237 1.00 0.00 C ATOM 1604 O LEU B 111 1.931 6.513 6.594 1.00 0.00 O ATOM 1605 CB LEU B 111 -0.088 8.317 4.555 1.00 0.00 C ATOM 1606 CG LEU B 111 -1.584 8.288 4.145 1.00 0.00 C ATOM 1607 CD1 LEU B 111 -2.221 6.972 4.532 1.00 0.00 C ATOM 1608 CD2 LEU B 111 -2.374 9.453 4.729 1.00 0.00 C ATOM 0 H LEU B 111 -0.287 10.123 6.282 1.00 0.00 H new ATOM 0 HA LEU B 111 -0.393 7.325 6.431 1.00 0.00 H new ATOM 0 HB2 LEU B 111 0.329 9.273 4.239 1.00 0.00 H new ATOM 0 HB3 LEU B 111 0.430 7.541 3.992 1.00 0.00 H new ATOM 0 HG LEU B 111 -1.614 8.392 3.060 1.00 0.00 H new ATOM 0 HD11 LEU B 111 -3.270 6.974 4.235 1.00 0.00 H new ATOM 0 HD12 LEU B 111 -1.703 6.155 4.029 1.00 0.00 H new ATOM 0 HD13 LEU B 111 -2.150 6.837 5.611 1.00 0.00 H new ATOM 0 HD21 LEU B 111 -3.414 9.383 4.410 1.00 0.00 H new ATOM 0 HD22 LEU B 111 -2.325 9.417 5.817 1.00 0.00 H new ATOM 0 HD23 LEU B 111 -1.949 10.393 4.378 1.00 0.00 H new ATOM 1620 N GLN B 112 2.629 8.571 6.047 1.00 0.00 N ATOM 1621 CA GLN B 112 4.013 8.166 6.139 1.00 0.00 C ATOM 1622 C GLN B 112 4.525 7.937 7.572 1.00 0.00 C ATOM 1623 O GLN B 112 5.427 7.116 7.787 1.00 0.00 O ATOM 1624 CB GLN B 112 4.971 8.957 5.196 1.00 0.00 C ATOM 1625 CG GLN B 112 4.905 10.491 5.245 1.00 0.00 C ATOM 1626 CD GLN B 112 5.469 11.115 6.508 1.00 0.00 C ATOM 1627 OE1 GLN B 112 6.479 10.503 7.079 1.00 0.00 O flip ATOM 1628 NE2 GLN B 112 5.018 12.174 6.933 1.00 0.00 N flip ATOM 0 H GLN B 112 2.471 9.556 5.835 1.00 0.00 H new ATOM 0 HA GLN B 112 4.030 7.158 5.724 1.00 0.00 H new ATOM 0 HB2 GLN B 112 5.993 8.657 5.426 1.00 0.00 H new ATOM 0 HB3 GLN B 112 4.769 8.644 4.172 1.00 0.00 H new ATOM 0 HG2 GLN B 112 5.445 10.891 4.387 1.00 0.00 H new ATOM 0 HG3 GLN B 112 3.865 10.799 5.138 1.00 0.00 H new ATOM 0 HE21 GLN B 112 4.231 12.619 6.461 1.00 0.00 H new ATOM 0 HE22 GLN B 112 5.430 12.609 7.758 1.00 0.00 H new ATOM 1637 N ASP B 113 3.945 8.615 8.550 1.00 0.00 N ATOM 1638 CA ASP B 113 4.327 8.366 9.947 1.00 0.00 C ATOM 1639 C ASP B 113 3.762 7.040 10.424 1.00 0.00 C ATOM 1640 O ASP B 113 4.460 6.257 11.081 1.00 0.00 O ATOM 1641 CB ASP B 113 3.902 9.491 10.888 1.00 0.00 C ATOM 1642 CG ASP B 113 4.279 9.202 12.326 1.00 0.00 C ATOM 1643 OD1 ASP B 113 5.480 9.297 12.665 1.00 0.00 O ATOM 1644 OD2 ASP B 113 3.388 8.893 13.137 1.00 0.00 O ATOM 0 H ASP B 113 3.226 9.326 8.417 1.00 0.00 H new ATOM 0 HA ASP B 113 5.416 8.327 9.971 1.00 0.00 H new ATOM 0 HB2 ASP B 113 4.369 10.424 10.572 1.00 0.00 H new ATOM 0 HB3 ASP B 113 2.824 9.634 10.818 1.00 0.00 H new ATOM 1649 N LEU B 114 2.500 6.772 10.059 1.00 0.00 N ATOM 1650 CA LEU B 114 1.830 5.511 10.402 1.00 0.00 C ATOM 1651 C LEU B 114 2.616 4.356 9.809 1.00 0.00 C ATOM 1652 O LEU B 114 2.889 3.353 10.491 1.00 0.00 O ATOM 1653 CB LEU B 114 0.393 5.497 9.856 1.00 0.00 C ATOM 1654 CG LEU B 114 -0.450 4.258 10.164 1.00 0.00 C ATOM 1655 CD1 LEU B 114 -0.679 4.114 11.657 1.00 0.00 C ATOM 1656 CD2 LEU B 114 -1.776 4.319 9.423 1.00 0.00 C ATOM 0 H LEU B 114 1.920 7.417 9.523 1.00 0.00 H new ATOM 0 HA LEU B 114 1.786 5.413 11.487 1.00 0.00 H new ATOM 0 HB2 LEU B 114 -0.129 6.369 10.250 1.00 0.00 H new ATOM 0 HB3 LEU B 114 0.440 5.616 8.773 1.00 0.00 H new ATOM 0 HG LEU B 114 0.099 3.381 9.821 1.00 0.00 H new ATOM 0 HD11 LEU B 114 -1.281 3.226 11.849 1.00 0.00 H new ATOM 0 HD12 LEU B 114 0.281 4.019 12.165 1.00 0.00 H new ATOM 0 HD13 LEU B 114 -1.202 4.994 12.031 1.00 0.00 H new ATOM 0 HD21 LEU B 114 -2.363 3.430 9.654 1.00 0.00 H new ATOM 0 HD22 LEU B 114 -2.326 5.207 9.734 1.00 0.00 H new ATOM 0 HD23 LEU B 114 -1.591 4.364 8.350 1.00 0.00 H new ATOM 1668 N LEU B 115 2.998 4.524 8.533 1.00 0.00 N ATOM 1669 CA LEU B 115 3.852 3.579 7.834 1.00 0.00 C ATOM 1670 C LEU B 115 5.078 3.261 8.661 1.00 0.00 C ATOM 1671 O LEU B 115 5.269 2.137 9.082 1.00 0.00 O ATOM 1672 CB LEU B 115 4.378 4.181 6.539 1.00 0.00 C ATOM 1673 CG LEU B 115 3.671 3.922 5.231 1.00 0.00 C ATOM 1674 CD1 LEU B 115 4.412 4.687 4.142 1.00 0.00 C ATOM 1675 CD2 LEU B 115 3.673 2.437 4.902 1.00 0.00 C ATOM 0 H LEU B 115 2.717 5.324 7.965 1.00 0.00 H new ATOM 0 HA LEU B 115 3.248 2.691 7.646 1.00 0.00 H new ATOM 0 HB2 LEU B 115 4.413 5.262 6.677 1.00 0.00 H new ATOM 0 HB3 LEU B 115 5.407 3.842 6.421 1.00 0.00 H new ATOM 0 HG LEU B 115 2.634 4.250 5.301 1.00 0.00 H new ATOM 0 HD11 LEU B 115 3.923 4.519 3.182 1.00 0.00 H new ATOM 0 HD12 LEU B 115 4.401 5.752 4.373 1.00 0.00 H new ATOM 0 HD13 LEU B 115 5.443 4.338 4.090 1.00 0.00 H new ATOM 0 HD21 LEU B 115 3.158 2.273 3.955 1.00 0.00 H new ATOM 0 HD22 LEU B 115 4.701 2.083 4.822 1.00 0.00 H new ATOM 0 HD23 LEU B 115 3.161 1.888 5.693 1.00 0.00 H new ATOM 1687 N THR B 116 5.863 4.287 8.921 1.00 0.00 N ATOM 1688 CA THR B 116 7.157 4.154 9.552 1.00 0.00 C ATOM 1689 C THR B 116 7.066 3.575 10.964 1.00 0.00 C ATOM 1690 O THR B 116 7.837 2.662 11.322 1.00 0.00 O ATOM 1691 CB THR B 116 7.866 5.515 9.535 1.00 0.00 C ATOM 1692 OG1 THR B 116 7.832 6.011 8.178 1.00 0.00 O ATOM 1693 CG2 THR B 116 9.317 5.390 9.977 1.00 0.00 C ATOM 0 H THR B 116 5.615 5.250 8.696 1.00 0.00 H new ATOM 0 HA THR B 116 7.747 3.436 8.982 1.00 0.00 H new ATOM 0 HB THR B 116 7.360 6.191 10.224 1.00 0.00 H new ATOM 0 HG1 THR B 116 7.093 6.648 8.081 1.00 0.00 H new ATOM 0 HG21 THR B 116 9.790 6.372 9.954 1.00 0.00 H new ATOM 0 HG22 THR B 116 9.355 4.993 10.991 1.00 0.00 H new ATOM 0 HG23 THR B 116 9.846 4.716 9.303 1.00 0.00 H new ATOM 1701 N SER B 117 6.088 4.041 11.724 1.00 0.00 N ATOM 1702 CA SER B 117 5.900 3.594 13.085 1.00 0.00 C ATOM 1703 C SER B 117 5.555 2.110 13.138 1.00 0.00 C ATOM 1704 O SER B 117 6.001 1.399 14.027 1.00 0.00 O ATOM 1705 CB SER B 117 4.850 4.455 13.781 1.00 0.00 C ATOM 1706 OG SER B 117 5.246 5.828 13.735 1.00 0.00 O ATOM 0 H SER B 117 5.409 4.735 11.413 1.00 0.00 H new ATOM 0 HA SER B 117 6.839 3.713 13.625 1.00 0.00 H new ATOM 0 HB2 SER B 117 3.882 4.329 13.295 1.00 0.00 H new ATOM 0 HB3 SER B 117 4.731 4.135 14.816 1.00 0.00 H new ATOM 0 HG SER B 117 5.052 6.195 12.847 1.00 0.00 H new ATOM 1712 N ASP B 118 4.777 1.641 12.190 1.00 0.00 N ATOM 1713 CA ASP B 118 4.487 0.218 12.112 1.00 0.00 C ATOM 1714 C ASP B 118 5.641 -0.580 11.527 1.00 0.00 C ATOM 1715 O ASP B 118 6.122 -1.528 12.147 1.00 0.00 O ATOM 1716 CB ASP B 118 3.219 -0.076 11.322 1.00 0.00 C ATOM 1717 CG ASP B 118 1.955 0.035 12.129 1.00 0.00 C ATOM 1718 OD1 ASP B 118 1.530 -0.974 12.711 1.00 0.00 O ATOM 1719 OD2 ASP B 118 1.322 1.095 12.137 1.00 0.00 O ATOM 0 H ASP B 118 4.336 2.211 11.468 1.00 0.00 H new ATOM 0 HA ASP B 118 4.334 -0.098 13.144 1.00 0.00 H new ATOM 0 HB2 ASP B 118 3.161 0.612 10.479 1.00 0.00 H new ATOM 0 HB3 ASP B 118 3.286 -1.082 10.908 1.00 0.00 H new ATOM 1724 N SER B 119 6.097 -0.158 10.359 1.00 0.00 N ATOM 1725 CA SER B 119 7.069 -0.894 9.547 1.00 0.00 C ATOM 1726 C SER B 119 8.426 -1.087 10.224 1.00 0.00 C ATOM 1727 O SER B 119 8.884 -2.215 10.394 1.00 0.00 O ATOM 1728 CB SER B 119 7.261 -0.179 8.210 1.00 0.00 C ATOM 1729 OG SER B 119 6.013 0.070 7.584 1.00 0.00 O ATOM 0 H SER B 119 5.800 0.721 9.935 1.00 0.00 H new ATOM 0 HA SER B 119 6.655 -1.892 9.402 1.00 0.00 H new ATOM 0 HB2 SER B 119 7.787 0.763 8.369 1.00 0.00 H new ATOM 0 HB3 SER B 119 7.886 -0.786 7.555 1.00 0.00 H new ATOM 0 HG SER B 119 5.625 0.894 7.945 1.00 0.00 H new ATOM 1958 N MET B 141 -13.906 0.845 -5.552 1.00 0.00 N ATOM 1959 CA MET B 141 -12.510 1.026 -5.872 1.00 0.00 C ATOM 1960 C MET B 141 -12.071 -0.075 -6.849 1.00 0.00 C ATOM 1961 O MET B 141 -11.174 0.109 -7.669 1.00 0.00 O ATOM 1962 CB MET B 141 -11.702 0.937 -4.574 1.00 0.00 C ATOM 1963 CG MET B 141 -10.341 1.587 -4.624 1.00 0.00 C ATOM 1964 SD MET B 141 -10.476 3.363 -4.934 1.00 0.00 S ATOM 1965 CE MET B 141 -8.779 3.868 -4.673 1.00 0.00 C ATOM 0 HA MET B 141 -12.344 1.997 -6.339 1.00 0.00 H new ATOM 0 HB2 MET B 141 -12.279 1.398 -3.772 1.00 0.00 H new ATOM 0 HB3 MET B 141 -11.577 -0.114 -4.313 1.00 0.00 H new ATOM 0 HG2 MET B 141 -9.820 1.418 -3.682 1.00 0.00 H new ATOM 0 HG3 MET B 141 -9.742 1.123 -5.407 1.00 0.00 H new ATOM 0 HE1 MET B 141 -8.631 4.869 -5.077 1.00 0.00 H new ATOM 0 HE2 MET B 141 -8.561 3.872 -3.605 1.00 0.00 H new ATOM 0 HE3 MET B 141 -8.110 3.171 -5.177 1.00 0.00 H new ATOM 1975 N GLU B 142 -12.746 -1.210 -6.766 1.00 0.00 N ATOM 1976 CA GLU B 142 -12.453 -2.380 -7.580 1.00 0.00 C ATOM 1977 C GLU B 142 -12.394 -2.126 -9.090 1.00 0.00 C ATOM 1978 O GLU B 142 -11.718 -2.838 -9.778 1.00 0.00 O ATOM 1979 CB GLU B 142 -13.353 -3.553 -7.252 1.00 0.00 C ATOM 1980 CG GLU B 142 -13.101 -4.158 -5.879 1.00 0.00 C ATOM 1981 CD GLU B 142 -13.997 -5.343 -5.626 1.00 0.00 C ATOM 1982 OE1 GLU B 142 -15.181 -5.153 -5.271 1.00 0.00 O ATOM 1983 OE2 GLU B 142 -13.549 -6.494 -5.829 1.00 0.00 O ATOM 0 H GLU B 142 -13.525 -1.347 -6.122 1.00 0.00 H new ATOM 0 HA GLU B 142 -11.433 -2.643 -7.298 1.00 0.00 H new ATOM 0 HB2 GLU B 142 -14.392 -3.229 -7.310 1.00 0.00 H new ATOM 0 HB3 GLU B 142 -13.217 -4.325 -8.009 1.00 0.00 H new ATOM 0 HG2 GLU B 142 -12.058 -4.466 -5.801 1.00 0.00 H new ATOM 0 HG3 GLU B 142 -13.269 -3.403 -5.111 1.00 0.00 H new ATOM 1990 N SER B 143 -13.100 -1.128 -9.588 1.00 0.00 N ATOM 1991 CA SER B 143 -13.087 -0.789 -11.016 1.00 0.00 C ATOM 1992 C SER B 143 -11.638 -0.470 -11.500 1.00 0.00 C ATOM 1993 O SER B 143 -11.046 -1.181 -12.362 1.00 0.00 O ATOM 1994 CB SER B 143 -13.991 0.424 -11.186 1.00 0.00 C ATOM 1995 OG SER B 143 -13.688 1.386 -10.175 1.00 0.00 O ATOM 0 H SER B 143 -13.700 -0.526 -9.024 1.00 0.00 H new ATOM 0 HA SER B 143 -13.442 -1.627 -11.616 1.00 0.00 H new ATOM 0 HB2 SER B 143 -13.849 0.862 -12.174 1.00 0.00 H new ATOM 0 HB3 SER B 143 -15.037 0.125 -11.117 1.00 0.00 H new ATOM 0 HG SER B 143 -14.268 2.169 -10.284 1.00 0.00 H new ATOM 2001 N ILE B 144 -11.054 0.543 -10.883 1.00 0.00 N ATOM 2002 CA ILE B 144 -9.694 0.961 -11.178 1.00 0.00 C ATOM 2003 C ILE B 144 -8.725 -0.147 -10.795 1.00 0.00 C ATOM 2004 O ILE B 144 -7.669 -0.306 -11.409 1.00 0.00 O ATOM 2005 CB ILE B 144 -9.311 2.273 -10.432 1.00 0.00 C ATOM 2006 CG1 ILE B 144 -9.460 2.075 -8.928 1.00 0.00 C ATOM 2007 CG2 ILE B 144 -10.192 3.416 -10.911 1.00 0.00 C ATOM 2008 CD1 ILE B 144 -9.009 3.203 -8.067 1.00 0.00 C ATOM 0 H ILE B 144 -11.511 1.100 -10.161 1.00 0.00 H new ATOM 0 HA ILE B 144 -9.633 1.160 -12.248 1.00 0.00 H new ATOM 0 HB ILE B 144 -8.272 2.521 -10.649 1.00 0.00 H new ATOM 0 HG12 ILE B 144 -10.510 1.877 -8.711 1.00 0.00 H new ATOM 0 HG13 ILE B 144 -8.902 1.183 -8.643 1.00 0.00 H new ATOM 0 HG21 ILE B 144 -9.919 4.331 -10.385 1.00 0.00 H new ATOM 0 HG22 ILE B 144 -10.053 3.558 -11.983 1.00 0.00 H new ATOM 0 HG23 ILE B 144 -11.237 3.179 -10.709 1.00 0.00 H new ATOM 0 HD11 ILE B 144 -9.164 2.946 -7.019 1.00 0.00 H new ATOM 0 HD12 ILE B 144 -7.950 3.393 -8.241 1.00 0.00 H new ATOM 0 HD13 ILE B 144 -9.582 4.098 -8.310 1.00 0.00 H new ATOM 2020 N ILE B 145 -9.107 -0.921 -9.784 1.00 0.00 N ATOM 2021 CA ILE B 145 -8.310 -2.043 -9.344 1.00 0.00 C ATOM 2022 C ILE B 145 -8.273 -3.131 -10.400 1.00 0.00 C ATOM 2023 O ILE B 145 -7.231 -3.716 -10.637 1.00 0.00 O ATOM 2024 CB ILE B 145 -8.816 -2.609 -8.005 1.00 0.00 C ATOM 2025 CG1 ILE B 145 -8.756 -1.533 -6.903 1.00 0.00 C ATOM 2026 CG2 ILE B 145 -8.111 -3.906 -7.607 1.00 0.00 C ATOM 2027 CD1 ILE B 145 -7.458 -0.729 -6.860 1.00 0.00 C ATOM 0 H ILE B 145 -9.969 -0.784 -9.257 1.00 0.00 H new ATOM 0 HA ILE B 145 -7.295 -1.677 -9.189 1.00 0.00 H new ATOM 0 HB ILE B 145 -9.862 -2.884 -8.138 1.00 0.00 H new ATOM 0 HG12 ILE B 145 -9.589 -0.844 -7.043 1.00 0.00 H new ATOM 0 HG13 ILE B 145 -8.900 -2.015 -5.936 1.00 0.00 H new ATOM 0 HG21 ILE B 145 -8.508 -4.259 -6.655 1.00 0.00 H new ATOM 0 HG22 ILE B 145 -8.280 -4.662 -8.374 1.00 0.00 H new ATOM 0 HG23 ILE B 145 -7.041 -3.723 -7.508 1.00 0.00 H new ATOM 0 HD11 ILE B 145 -7.510 0.002 -6.053 1.00 0.00 H new ATOM 0 HD12 ILE B 145 -6.619 -1.402 -6.686 1.00 0.00 H new ATOM 0 HD13 ILE B 145 -7.318 -0.213 -7.810 1.00 0.00 H new ATOM 2039 N ARG B 146 -9.407 -3.385 -11.042 1.00 0.00 N ATOM 2040 CA ARG B 146 -9.479 -4.355 -12.115 1.00 0.00 C ATOM 2041 C ARG B 146 -8.547 -3.959 -13.219 1.00 0.00 C ATOM 2042 O ARG B 146 -7.813 -4.791 -13.741 1.00 0.00 O ATOM 2043 CB ARG B 146 -10.906 -4.548 -12.628 1.00 0.00 C ATOM 2044 CG ARG B 146 -11.799 -5.248 -11.629 1.00 0.00 C ATOM 2045 CD ARG B 146 -13.217 -5.382 -12.125 1.00 0.00 C ATOM 2046 NE ARG B 146 -14.062 -6.047 -11.127 1.00 0.00 N ATOM 2047 CZ ARG B 146 -15.331 -6.411 -11.299 1.00 0.00 C ATOM 2048 NH1 ARG B 146 -15.958 -6.155 -12.444 1.00 0.00 N ATOM 2049 NH2 ARG B 146 -15.967 -7.022 -10.316 1.00 0.00 N ATOM 0 H ARG B 146 -10.293 -2.926 -10.832 1.00 0.00 H new ATOM 0 HA ARG B 146 -9.166 -5.321 -11.718 1.00 0.00 H new ATOM 0 HB2 ARG B 146 -11.334 -3.576 -12.872 1.00 0.00 H new ATOM 0 HB3 ARG B 146 -10.880 -5.126 -13.552 1.00 0.00 H new ATOM 0 HG2 ARG B 146 -11.396 -6.238 -11.416 1.00 0.00 H new ATOM 0 HG3 ARG B 146 -11.795 -4.693 -10.691 1.00 0.00 H new ATOM 0 HD2 ARG B 146 -13.622 -4.395 -12.350 1.00 0.00 H new ATOM 0 HD3 ARG B 146 -13.229 -5.951 -13.054 1.00 0.00 H new ATOM 0 HE ARG B 146 -13.640 -6.248 -10.221 1.00 0.00 H new ATOM 0 HH11 ARG B 146 -15.466 -5.676 -13.199 1.00 0.00 H new ATOM 0 HH12 ARG B 146 -16.930 -6.437 -12.567 1.00 0.00 H new ATOM 0 HH21 ARG B 146 -15.486 -7.210 -9.437 1.00 0.00 H new ATOM 0 HH22 ARG B 146 -16.939 -7.306 -10.436 1.00 0.00 H new ATOM 2063 N SER B 147 -8.529 -2.671 -13.522 1.00 0.00 N ATOM 2064 CA SER B 147 -7.601 -2.142 -14.507 1.00 0.00 C ATOM 2065 C SER B 147 -6.123 -2.449 -14.102 1.00 0.00 C ATOM 2066 O SER B 147 -5.337 -2.976 -14.913 1.00 0.00 O ATOM 2067 CB SER B 147 -7.815 -0.638 -14.637 1.00 0.00 C ATOM 2068 OG SER B 147 -9.185 -0.352 -14.877 1.00 0.00 O ATOM 0 H SER B 147 -9.144 -1.975 -13.101 1.00 0.00 H new ATOM 0 HA SER B 147 -7.789 -2.622 -15.467 1.00 0.00 H new ATOM 0 HB2 SER B 147 -7.487 -0.137 -13.726 1.00 0.00 H new ATOM 0 HB3 SER B 147 -7.207 -0.247 -15.453 1.00 0.00 H new ATOM 0 HG SER B 147 -9.308 0.617 -14.957 1.00 0.00 H new ATOM 2074 N GLU B 148 -5.785 -2.181 -12.831 1.00 0.00 N ATOM 2075 CA GLU B 148 -4.422 -2.376 -12.330 1.00 0.00 C ATOM 2076 C GLU B 148 -4.051 -3.856 -12.204 1.00 0.00 C ATOM 2077 O GLU B 148 -2.919 -4.241 -12.482 1.00 0.00 O ATOM 2078 CB GLU B 148 -4.202 -1.693 -10.973 1.00 0.00 C ATOM 2079 CG GLU B 148 -4.454 -0.200 -10.956 1.00 0.00 C ATOM 2080 CD GLU B 148 -4.049 0.459 -9.646 1.00 0.00 C ATOM 2081 OE1 GLU B 148 -4.649 0.162 -8.592 1.00 0.00 O ATOM 2082 OE2 GLU B 148 -3.147 1.340 -9.661 1.00 0.00 O ATOM 0 H GLU B 148 -6.440 -1.828 -12.133 1.00 0.00 H new ATOM 0 HA GLU B 148 -3.773 -1.913 -13.074 1.00 0.00 H new ATOM 0 HB2 GLU B 148 -4.854 -2.164 -10.237 1.00 0.00 H new ATOM 0 HB3 GLU B 148 -3.176 -1.876 -10.654 1.00 0.00 H new ATOM 0 HG2 GLU B 148 -3.904 0.265 -11.775 1.00 0.00 H new ATOM 0 HG3 GLU B 148 -5.513 -0.014 -11.137 1.00 0.00 H new ATOM 2089 N LEU B 149 -4.986 -4.691 -11.779 1.00 0.00 N ATOM 2090 CA LEU B 149 -4.695 -6.100 -11.604 1.00 0.00 C ATOM 2091 C LEU B 149 -4.524 -6.778 -12.957 1.00 0.00 C ATOM 2092 O LEU B 149 -3.734 -7.701 -13.098 1.00 0.00 O ATOM 2093 CB LEU B 149 -5.749 -6.833 -10.699 1.00 0.00 C ATOM 2094 CG LEU B 149 -7.207 -6.964 -11.203 1.00 0.00 C ATOM 2095 CD1 LEU B 149 -7.379 -8.084 -12.229 1.00 0.00 C ATOM 2096 CD2 LEU B 149 -8.169 -7.152 -10.046 1.00 0.00 C ATOM 0 H LEU B 149 -5.942 -4.419 -11.552 1.00 0.00 H new ATOM 0 HA LEU B 149 -3.750 -6.175 -11.065 1.00 0.00 H new ATOM 0 HB2 LEU B 149 -5.375 -7.839 -10.507 1.00 0.00 H new ATOM 0 HB3 LEU B 149 -5.777 -6.315 -9.740 1.00 0.00 H new ATOM 0 HG LEU B 149 -7.443 -6.028 -11.709 1.00 0.00 H new ATOM 0 HD11 LEU B 149 -8.421 -8.129 -12.547 1.00 0.00 H new ATOM 0 HD12 LEU B 149 -6.744 -7.887 -13.093 1.00 0.00 H new ATOM 0 HD13 LEU B 149 -7.095 -9.036 -11.780 1.00 0.00 H new ATOM 0 HD21 LEU B 149 -9.186 -7.241 -10.429 1.00 0.00 H new ATOM 0 HD22 LEU B 149 -7.907 -8.057 -9.498 1.00 0.00 H new ATOM 0 HD23 LEU B 149 -8.107 -6.293 -9.378 1.00 0.00 H new ATOM 2108 N MET B 150 -5.240 -6.270 -13.946 1.00 0.00 N ATOM 2109 CA MET B 150 -5.221 -6.818 -15.291 1.00 0.00 C ATOM 2110 C MET B 150 -3.944 -6.399 -16.015 1.00 0.00 C ATOM 2111 O MET B 150 -3.141 -7.251 -16.418 1.00 0.00 O ATOM 2112 CB MET B 150 -6.494 -6.356 -16.044 1.00 0.00 C ATOM 2113 CG MET B 150 -6.753 -6.956 -17.433 1.00 0.00 C ATOM 2114 SD MET B 150 -5.637 -6.376 -18.728 1.00 0.00 S ATOM 2115 CE MET B 150 -6.409 -7.132 -20.153 1.00 0.00 C ATOM 0 H MET B 150 -5.853 -5.462 -13.838 1.00 0.00 H new ATOM 0 HA MET B 150 -5.223 -7.907 -15.252 1.00 0.00 H new ATOM 0 HB2 MET B 150 -7.356 -6.579 -15.415 1.00 0.00 H new ATOM 0 HB3 MET B 150 -6.448 -5.272 -16.149 1.00 0.00 H new ATOM 0 HG2 MET B 150 -6.675 -8.041 -17.365 1.00 0.00 H new ATOM 0 HG3 MET B 150 -7.778 -6.728 -17.727 1.00 0.00 H new ATOM 0 HE1 MET B 150 -5.846 -6.876 -21.050 1.00 0.00 H new ATOM 0 HE2 MET B 150 -6.421 -8.215 -20.028 1.00 0.00 H new ATOM 0 HE3 MET B 150 -7.431 -6.766 -20.250 1.00 0.00 H new