USER MOD reduce.3.24.130724 H: found=0, std=0, add=1064, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1058 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: B 109 GLN : amide:sc= -0.158 K(o=-0.067,f=-0.59) USER MOD Set 1.2: B 110 THR OG1 : rot 180:sc= 0.0914 USER MOD Set 2.1: A 73 TYR OH : rot 180:sc= 0.667 USER MOD Set 2.2: A 77 LYS NZ :NH3+ 147:sc= 2.92 (180deg=1.16) USER MOD Set 3.1: A 65 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: B 141 MET CE :methyl -156:sc= -1.49 (180deg=-2.89) USER MOD Set 4.1: A 59 ASN :FLIP amide:sc= -0.222 F(o=-1.7!,f=0.88) USER MOD Set 4.2: A 60 SER OG : rot 142:sc= 1.1 USER MOD Set 5.1: A 20 HIS : no HE2:sc= -0.58 X(o=1.6,f=1.5) USER MOD Set 5.2: A 24 GLN : amide:sc= 1.16 X(o=1.6,f=1.2) USER MOD Set 5.3: B 128 SER OG : rot 180:sc= 1.06 USER MOD Set 6.1: A 17 HIS : no HE2:sc= 0.782 K(o=-0.57,f=-11!) USER MOD Set 6.2: A 21 LYS NZ :NH3+ -178:sc= -1.35! (180deg=-2.67!) USER MOD Set 7.1: A 11 THR OG1 : rot 161:sc= 0.815 USER MOD Set 7.2: B 136 SER OG : rot 152:sc= 0.793 USER MOD Single : A 1 GLY N :NH3+ -142:sc= 0.00964 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 156:sc= 2.45 (180deg=1.86) USER MOD Single : A 7 HIS :FLIP no HE2:sc= 0.0432 F(o=-1.2,f=0.043) USER MOD Single : A 9 HIS :FLIP no HD1:sc= -0.479 F(o=-1.4,f=-0.48) USER MOD Single : A 12 GLN :FLIP amide:sc= -0.569 F(o=-1.5,f=-0.57) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -97:sc= 0.372 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -167:sc= -5.14! (180deg=-5.38!) USER MOD Single : A 42 ASN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.0059 USER MOD Single : A 48 LYS NZ :NH3+ -167:sc= -0.0155 (180deg=-0.178) USER MOD Single : A 49 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0576) USER MOD Single : A 54 MET CE :methyl 164:sc= -1.4 (180deg=-2.42!) USER MOD Single : A 55 TYR OH : rot 180:sc= -2.68! USER MOD Single : A 57 SER OG : rot 86:sc= 0.781 USER MOD Single : A 64 TYR OH : rot -165:sc= 0.116 USER MOD Single : A 66 HIS :FLIP no HD1:sc=-0.00456 F(o=-0.56,f=-0.0046) USER MOD Single : A 71 LYS NZ :NH3+ -157:sc= -0.956 (180deg=-1.66!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -1.83! C(o=-1.8!,f=-2.6!) USER MOD Single : A 82 LYS NZ :NH3+ -175:sc= 0.275 (180deg=0.24) USER MOD Single : A 85 SER OG : rot 44:sc= 0.31 USER MOD Single : B 102 SER OG : rot 180:sc= 0 USER MOD Single : B 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 104 SER OG : rot 180:sc= 0 USER MOD Single : B 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 106 TYR OH : rot 180:sc= 0 USER MOD Single : B 108 ASN : amide:sc= -0.227 K(o=-0.23,f=-1.8!) USER MOD Single : B 112 GLN : amide:sc= -1.05 K(o=-1,f=-4!) USER MOD Single : B 116 THR OG1 : rot 180:sc= 0 USER MOD Single : B 117 SER OG : rot 140:sc= 0.0965 USER MOD Single : B 119 SER OG : rot 69:sc= 1.25 USER MOD Single : B 121 SER OG : rot -162:sc= 1.29 USER MOD Single : B 122 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 123 SER OG : rot 180:sc= 0.0472 USER MOD Single : B 132 SER OG : rot 180:sc= 0 USER MOD Single : B 139 CYS SG : rot -73:sc= 1.19 USER MOD Single : B 143 SER OG : rot 180:sc=6.37e-05 USER MOD Single : B 147 SER OG : rot -81:sc= 0.662 USER MOD Single : B 150 MET CE :methyl -146:sc= 0 (180deg=-1.02) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.725 0.989 16.149 1.00 0.00 N ATOM 2 CA GLY A 1 -15.989 2.243 16.160 1.00 0.00 C ATOM 3 C GLY A 1 -16.855 3.383 15.763 1.00 0.00 C ATOM 4 O GLY A 1 -17.997 3.497 16.230 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.417 0.399 16.948 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.743 1.183 16.234 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.542 0.487 15.257 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.585 2.421 17.157 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.140 2.175 15.480 1.00 0.00 H new ATOM 10 N VAL A 2 -16.343 4.220 14.902 1.00 0.00 N ATOM 11 CA VAL A 2 -17.077 5.351 14.423 1.00 0.00 C ATOM 12 C VAL A 2 -17.987 4.881 13.330 1.00 0.00 C ATOM 13 O VAL A 2 -17.524 4.363 12.320 1.00 0.00 O ATOM 14 CB VAL A 2 -16.154 6.443 13.855 1.00 0.00 C ATOM 15 CG1 VAL A 2 -16.957 7.638 13.376 1.00 0.00 C ATOM 16 CG2 VAL A 2 -15.102 6.866 14.863 1.00 0.00 C ATOM 0 H VAL A 2 -15.403 4.134 14.515 1.00 0.00 H new ATOM 0 HA VAL A 2 -17.629 5.782 15.258 1.00 0.00 H new ATOM 0 HB VAL A 2 -15.633 6.017 12.997 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -16.281 8.395 12.979 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -17.647 7.322 12.594 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -17.520 8.056 14.210 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.469 7.638 14.426 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -15.590 7.259 15.755 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -14.490 6.005 15.133 1.00 0.00 H new ATOM 26 N ARG A 3 -19.258 5.007 13.565 1.00 0.00 N ATOM 27 CA ARG A 3 -20.270 4.623 12.603 1.00 0.00 C ATOM 28 C ARG A 3 -20.175 5.475 11.336 1.00 0.00 C ATOM 29 O ARG A 3 -20.568 6.649 11.309 1.00 0.00 O ATOM 30 CB ARG A 3 -21.727 4.624 13.193 1.00 0.00 C ATOM 31 CG ARG A 3 -22.332 5.986 13.605 1.00 0.00 C ATOM 32 CD ARG A 3 -21.667 6.588 14.829 1.00 0.00 C ATOM 33 NE ARG A 3 -22.177 7.921 15.133 1.00 0.00 N ATOM 34 CZ ARG A 3 -22.762 8.277 16.280 1.00 0.00 C ATOM 35 NH1 ARG A 3 -23.196 7.354 17.133 1.00 0.00 N ATOM 36 NH2 ARG A 3 -22.958 9.559 16.547 1.00 0.00 N ATOM 0 H ARG A 3 -19.635 5.382 14.436 1.00 0.00 H new ATOM 0 HA ARG A 3 -20.061 3.587 12.337 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -22.389 4.172 12.454 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -21.735 3.974 14.068 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -22.244 6.683 12.771 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -23.396 5.859 13.803 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -21.828 5.935 15.686 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -20.590 6.641 14.667 1.00 0.00 H new ATOM 0 HE ARG A 3 -22.079 8.637 14.413 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -23.084 6.364 16.914 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -23.641 7.636 18.006 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -22.663 10.270 15.878 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -23.404 9.835 17.422 1.00 0.00 H new ATOM 50 N LYS A 4 -19.598 4.905 10.333 1.00 0.00 N ATOM 51 CA LYS A 4 -19.468 5.536 9.055 1.00 0.00 C ATOM 52 C LYS A 4 -19.927 4.581 7.969 1.00 0.00 C ATOM 53 O LYS A 4 -19.151 3.786 7.442 1.00 0.00 O ATOM 54 CB LYS A 4 -18.048 6.126 8.825 1.00 0.00 C ATOM 55 CG LYS A 4 -16.866 5.218 9.192 1.00 0.00 C ATOM 56 CD LYS A 4 -15.519 5.914 8.942 1.00 0.00 C ATOM 57 CE LYS A 4 -15.274 7.093 9.880 1.00 0.00 C ATOM 58 NZ LYS A 4 -14.136 7.923 9.449 1.00 0.00 N ATOM 0 H LYS A 4 -19.194 3.969 10.375 1.00 0.00 H new ATOM 0 HA LYS A 4 -20.123 6.406 9.018 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.957 6.398 7.773 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.963 7.048 9.401 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.939 4.931 10.241 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.916 4.300 8.606 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -14.714 5.189 9.061 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -15.483 6.264 7.910 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -16.172 7.709 9.928 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -15.088 6.720 10.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.243 8.884 9.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.250 7.507 9.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -14.111 7.965 8.410 1.00 0.00 H new ATOM 72 N GLY A 5 -21.224 4.679 7.672 1.00 0.00 N ATOM 73 CA GLY A 5 -21.977 3.764 6.797 1.00 0.00 C ATOM 74 C GLY A 5 -21.360 3.443 5.448 1.00 0.00 C ATOM 75 O GLY A 5 -21.691 2.403 4.847 1.00 0.00 O ATOM 0 H GLY A 5 -21.807 5.427 8.047 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -22.126 2.827 7.334 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -22.964 4.194 6.625 1.00 0.00 H new ATOM 79 N TRP A 6 -20.455 4.274 4.983 1.00 0.00 N ATOM 80 CA TRP A 6 -19.800 4.061 3.706 1.00 0.00 C ATOM 81 C TRP A 6 -18.920 2.814 3.728 1.00 0.00 C ATOM 82 O TRP A 6 -18.507 2.326 2.687 1.00 0.00 O ATOM 83 CB TRP A 6 -18.967 5.278 3.299 1.00 0.00 C ATOM 84 CG TRP A 6 -17.861 5.617 4.252 1.00 0.00 C ATOM 85 CD1 TRP A 6 -17.904 6.529 5.251 1.00 0.00 C ATOM 86 CD2 TRP A 6 -16.543 5.042 4.292 1.00 0.00 C ATOM 87 NE1 TRP A 6 -16.698 6.587 5.879 1.00 0.00 N ATOM 88 CE2 TRP A 6 -15.850 5.674 5.318 1.00 0.00 C ATOM 89 CE3 TRP A 6 -15.889 4.058 3.552 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -14.539 5.362 5.624 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -14.589 3.749 3.859 1.00 0.00 C ATOM 92 CH2 TRP A 6 -13.930 4.397 4.882 1.00 0.00 C ATOM 0 H TRP A 6 -20.151 5.114 5.475 1.00 0.00 H new ATOM 0 HA TRP A 6 -20.587 3.914 2.967 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -18.538 5.097 2.313 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -19.627 6.140 3.206 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -18.768 7.123 5.511 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -16.464 7.214 6.648 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -16.399 3.547 2.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -14.016 5.866 6.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -14.074 2.988 3.292 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -12.906 4.133 5.100 1.00 0.00 H new ATOM 103 N HIS A 7 -18.634 2.311 4.923 1.00 0.00 N ATOM 104 CA HIS A 7 -17.790 1.129 5.114 1.00 0.00 C ATOM 105 C HIS A 7 -18.376 -0.105 4.411 1.00 0.00 C ATOM 106 O HIS A 7 -17.646 -1.022 4.041 1.00 0.00 O ATOM 107 CB HIS A 7 -17.572 0.849 6.619 1.00 0.00 C ATOM 108 CG HIS A 7 -18.772 0.326 7.378 1.00 0.00 C ATOM 109 ND1 HIS A 7 -19.890 0.953 7.799 1.00 0.00 N flip ATOM 110 CD2 HIS A 7 -18.898 -0.972 7.793 1.00 0.00 C flip ATOM 111 CE1 HIS A 7 -20.699 0.050 8.466 1.00 0.00 C flip ATOM 112 NE2 HIS A 7 -20.052 -1.093 8.431 1.00 0.00 N flip ATOM 0 H HIS A 7 -18.981 2.711 5.794 1.00 0.00 H new ATOM 0 HA HIS A 7 -16.823 1.339 4.658 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -16.761 0.128 6.720 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -17.240 1.771 7.095 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -20.105 1.939 7.649 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -18.180 -1.762 7.628 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -21.660 0.244 8.920 1.00 0.00 H new ATOM 120 N GLU A 8 -19.685 -0.103 4.213 1.00 0.00 N ATOM 121 CA GLU A 8 -20.351 -1.208 3.546 1.00 0.00 C ATOM 122 C GLU A 8 -20.297 -1.042 2.049 1.00 0.00 C ATOM 123 O GLU A 8 -20.645 -1.946 1.304 1.00 0.00 O ATOM 124 CB GLU A 8 -21.788 -1.323 3.993 1.00 0.00 C ATOM 125 CG GLU A 8 -21.935 -1.649 5.451 1.00 0.00 C ATOM 126 CD GLU A 8 -23.361 -1.837 5.839 1.00 0.00 C ATOM 127 OE1 GLU A 8 -23.860 -2.970 5.766 1.00 0.00 O ATOM 128 OE2 GLU A 8 -24.021 -0.851 6.203 1.00 0.00 O ATOM 0 H GLU A 8 -20.306 0.652 4.505 1.00 0.00 H new ATOM 0 HA GLU A 8 -19.824 -2.122 3.820 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -22.302 -0.384 3.785 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -22.283 -2.095 3.404 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -21.375 -2.556 5.678 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -21.499 -0.847 6.048 1.00 0.00 H new ATOM 135 N HIS A 9 -19.856 0.110 1.616 1.00 0.00 N ATOM 136 CA HIS A 9 -19.753 0.407 0.206 1.00 0.00 C ATOM 137 C HIS A 9 -18.399 -0.028 -0.305 1.00 0.00 C ATOM 138 O HIS A 9 -18.128 -0.003 -1.508 1.00 0.00 O ATOM 139 CB HIS A 9 -19.970 1.902 -0.073 1.00 0.00 C ATOM 140 CG HIS A 9 -21.360 2.409 0.234 1.00 0.00 C ATOM 141 ND1 HIS A 9 -21.994 2.548 1.428 1.00 0.00 N flip ATOM 142 CD2 HIS A 9 -22.239 2.887 -0.712 1.00 0.00 C flip ATOM 143 CE1 HIS A 9 -23.247 3.112 1.225 1.00 0.00 C flip ATOM 144 NE2 HIS A 9 -23.346 3.295 -0.084 1.00 0.00 N flip ATOM 0 H HIS A 9 -19.558 0.870 2.228 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.536 -0.143 -0.317 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.252 2.475 0.514 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.751 2.097 -1.123 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -22.064 2.926 -1.777 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -23.985 3.351 1.976 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -24.160 3.695 -0.551 1.00 0.00 H new ATOM 152 N VAL A 10 -17.546 -0.418 0.616 1.00 0.00 N ATOM 153 CA VAL A 10 -16.244 -0.908 0.275 1.00 0.00 C ATOM 154 C VAL A 10 -16.300 -2.386 0.490 1.00 0.00 C ATOM 155 O VAL A 10 -16.946 -2.850 1.439 1.00 0.00 O ATOM 156 CB VAL A 10 -15.118 -0.361 1.174 1.00 0.00 C ATOM 157 CG1 VAL A 10 -13.810 -0.171 0.480 1.00 0.00 C ATOM 158 CG2 VAL A 10 -15.509 0.756 2.060 1.00 0.00 C ATOM 0 H VAL A 10 -17.741 -0.402 1.617 1.00 0.00 H new ATOM 0 HA VAL A 10 -16.016 -0.599 -0.745 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.934 -1.179 1.870 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.076 0.216 1.187 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -13.465 -1.127 0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.933 0.536 -0.340 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.649 1.070 2.651 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -15.859 1.593 1.457 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -16.308 0.430 2.726 1.00 0.00 H new ATOM 168 N THR A 11 -15.690 -3.117 -0.359 1.00 0.00 N ATOM 169 CA THR A 11 -15.699 -4.520 -0.242 1.00 0.00 C ATOM 170 C THR A 11 -14.409 -5.069 0.199 1.00 0.00 C ATOM 171 O THR A 11 -13.369 -4.430 0.035 1.00 0.00 O ATOM 172 CB THR A 11 -16.104 -5.131 -1.533 1.00 0.00 C ATOM 173 OG1 THR A 11 -15.619 -4.308 -2.611 1.00 0.00 O ATOM 174 CG2 THR A 11 -17.574 -5.232 -1.539 1.00 0.00 C ATOM 0 H THR A 11 -15.168 -2.758 -1.158 1.00 0.00 H new ATOM 0 HA THR A 11 -16.424 -4.771 0.532 1.00 0.00 H new ATOM 0 HB THR A 11 -15.681 -6.127 -1.661 1.00 0.00 H new ATOM 0 HG1 THR A 11 -15.604 -4.830 -3.440 1.00 0.00 H new ATOM 0 HG21 THR A 11 -17.904 -5.678 -2.477 1.00 0.00 H new ATOM 0 HG22 THR A 11 -17.899 -5.855 -0.706 1.00 0.00 H new ATOM 0 HG23 THR A 11 -18.007 -4.237 -1.438 1.00 0.00 H new ATOM 182 N GLN A 12 -14.490 -6.269 0.740 1.00 0.00 N ATOM 183 CA GLN A 12 -13.383 -7.036 1.245 1.00 0.00 C ATOM 184 C GLN A 12 -12.287 -7.119 0.196 1.00 0.00 C ATOM 185 O GLN A 12 -11.101 -6.960 0.508 1.00 0.00 O ATOM 186 CB GLN A 12 -13.924 -8.431 1.654 1.00 0.00 C ATOM 187 CG GLN A 12 -12.925 -9.386 2.299 1.00 0.00 C ATOM 188 CD GLN A 12 -11.958 -10.064 1.331 1.00 0.00 C ATOM 189 OE1 GLN A 12 -12.422 -10.398 0.149 1.00 0.00 O flip ATOM 190 NE2 GLN A 12 -10.814 -10.335 1.678 1.00 0.00 N flip ATOM 0 H GLN A 12 -15.381 -6.755 0.841 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.937 -6.563 2.120 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -14.753 -8.286 2.347 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -14.332 -8.913 0.765 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -12.346 -8.835 3.040 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -13.478 -10.157 2.835 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.483 -10.062 2.603 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.193 -10.834 1.041 1.00 0.00 H new ATOM 199 N ASP A 13 -12.690 -7.320 -1.043 1.00 0.00 N ATOM 200 CA ASP A 13 -11.742 -7.397 -2.135 1.00 0.00 C ATOM 201 C ASP A 13 -11.109 -6.082 -2.418 1.00 0.00 C ATOM 202 O ASP A 13 -9.931 -6.035 -2.639 1.00 0.00 O ATOM 203 CB ASP A 13 -12.315 -7.996 -3.417 1.00 0.00 C ATOM 204 CG ASP A 13 -12.465 -9.485 -3.342 1.00 0.00 C ATOM 205 OD1 ASP A 13 -11.439 -10.200 -3.312 1.00 0.00 O ATOM 206 OD2 ASP A 13 -13.605 -9.987 -3.333 1.00 0.00 O ATOM 0 H ASP A 13 -13.666 -7.433 -1.318 1.00 0.00 H new ATOM 0 HA ASP A 13 -10.976 -8.089 -1.785 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -13.287 -7.547 -3.620 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -11.665 -7.742 -4.254 1.00 0.00 H new ATOM 211 N LEU A 14 -11.883 -5.002 -2.348 1.00 0.00 N ATOM 212 CA LEU A 14 -11.355 -3.669 -2.618 1.00 0.00 C ATOM 213 C LEU A 14 -10.298 -3.351 -1.562 1.00 0.00 C ATOM 214 O LEU A 14 -9.172 -3.004 -1.903 1.00 0.00 O ATOM 215 CB LEU A 14 -12.511 -2.625 -2.637 1.00 0.00 C ATOM 216 CG LEU A 14 -12.203 -1.175 -3.122 1.00 0.00 C ATOM 217 CD1 LEU A 14 -11.435 -0.386 -2.100 1.00 0.00 C ATOM 218 CD2 LEU A 14 -11.436 -1.186 -4.430 1.00 0.00 C ATOM 0 H LEU A 14 -12.874 -5.024 -2.108 1.00 0.00 H new ATOM 0 HA LEU A 14 -10.886 -3.629 -3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.305 -3.023 -3.268 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -12.912 -2.557 -1.626 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.168 -0.690 -3.273 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.244 0.617 -2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -12.016 -0.319 -1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.487 -0.883 -1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.236 -0.161 -4.743 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.493 -1.715 -4.294 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.028 -1.690 -5.194 1.00 0.00 H new ATOM 230 N ARG A 15 -10.663 -3.542 -0.282 1.00 0.00 N ATOM 231 CA ARG A 15 -9.708 -3.357 0.842 1.00 0.00 C ATOM 232 C ARG A 15 -8.430 -4.160 0.572 1.00 0.00 C ATOM 233 O ARG A 15 -7.349 -3.604 0.432 1.00 0.00 O ATOM 234 CB ARG A 15 -10.227 -4.016 2.130 1.00 0.00 C ATOM 235 CG ARG A 15 -11.708 -4.024 2.378 1.00 0.00 C ATOM 236 CD ARG A 15 -12.268 -2.689 2.739 1.00 0.00 C ATOM 237 NE ARG A 15 -11.411 -2.089 3.785 1.00 0.00 N ATOM 238 CZ ARG A 15 -11.484 -2.358 5.098 1.00 0.00 C ATOM 239 NH1 ARG A 15 -12.561 -2.940 5.623 1.00 0.00 N ATOM 240 NH2 ARG A 15 -10.474 -2.026 5.879 1.00 0.00 N ATOM 0 H ARG A 15 -11.601 -3.822 0.006 1.00 0.00 H new ATOM 0 HA ARG A 15 -9.562 -2.281 0.936 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.883 -5.050 2.136 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.751 -3.517 2.974 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -12.214 -4.390 1.485 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -11.928 -4.728 3.180 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -12.304 -2.043 1.862 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -13.291 -2.792 3.100 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.707 -1.416 3.484 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.349 -3.189 5.025 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.598 -3.137 6.623 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.651 -1.571 5.483 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.516 -2.224 6.879 1.00 0.00 H new ATOM 254 N SER A 16 -8.609 -5.469 0.395 1.00 0.00 N ATOM 255 CA SER A 16 -7.513 -6.412 0.317 1.00 0.00 C ATOM 256 C SER A 16 -6.650 -6.183 -0.934 1.00 0.00 C ATOM 257 O SER A 16 -5.447 -6.486 -0.951 1.00 0.00 O ATOM 258 CB SER A 16 -8.070 -7.849 0.363 1.00 0.00 C ATOM 259 OG SER A 16 -7.046 -8.824 0.473 1.00 0.00 O ATOM 0 H SER A 16 -9.529 -5.900 0.302 1.00 0.00 H new ATOM 0 HA SER A 16 -6.859 -6.257 1.175 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.751 -7.945 1.209 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.653 -8.039 -0.538 1.00 0.00 H new ATOM 0 HG SER A 16 -7.447 -9.718 0.500 1.00 0.00 H new ATOM 265 N HIS A 17 -7.260 -5.634 -1.952 1.00 0.00 N ATOM 266 CA HIS A 17 -6.607 -5.346 -3.212 1.00 0.00 C ATOM 267 C HIS A 17 -5.631 -4.195 -3.011 1.00 0.00 C ATOM 268 O HIS A 17 -4.468 -4.251 -3.431 1.00 0.00 O ATOM 269 CB HIS A 17 -7.692 -4.965 -4.238 1.00 0.00 C ATOM 270 CG HIS A 17 -7.273 -4.844 -5.660 1.00 0.00 C ATOM 271 ND1 HIS A 17 -7.594 -5.763 -6.631 1.00 0.00 N ATOM 272 CD2 HIS A 17 -6.626 -3.851 -6.288 1.00 0.00 C ATOM 273 CE1 HIS A 17 -7.143 -5.307 -7.791 1.00 0.00 C ATOM 274 NE2 HIS A 17 -6.546 -4.145 -7.640 1.00 0.00 N ATOM 0 H HIS A 17 -8.244 -5.368 -1.933 1.00 0.00 H new ATOM 0 HA HIS A 17 -6.054 -6.212 -3.574 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.486 -5.710 -4.182 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -8.126 -4.013 -3.932 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -8.092 -6.641 -6.484 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -6.231 -2.964 -5.816 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.251 -5.821 -8.735 1.00 0.00 H new ATOM 282 N LEU A 18 -6.108 -3.172 -2.353 1.00 0.00 N ATOM 283 CA LEU A 18 -5.314 -1.994 -2.059 1.00 0.00 C ATOM 284 C LEU A 18 -4.222 -2.346 -1.063 1.00 0.00 C ATOM 285 O LEU A 18 -3.096 -1.894 -1.193 1.00 0.00 O ATOM 286 CB LEU A 18 -6.215 -0.854 -1.552 1.00 0.00 C ATOM 287 CG LEU A 18 -7.053 -0.067 -2.610 1.00 0.00 C ATOM 288 CD1 LEU A 18 -7.712 -0.962 -3.630 1.00 0.00 C ATOM 289 CD2 LEU A 18 -8.137 0.669 -1.917 1.00 0.00 C ATOM 0 H LEU A 18 -7.064 -3.126 -2.001 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.832 -1.641 -2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.906 -1.273 -0.820 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.585 -0.139 -1.023 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.357 0.594 -3.126 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.278 -0.354 -4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.949 -1.525 -4.167 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.386 -1.654 -3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.727 1.221 -2.648 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.779 -0.038 -1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.703 1.366 -1.200 1.00 0.00 H new ATOM 301 N VAL A 19 -4.570 -3.190 -0.101 1.00 0.00 N ATOM 302 CA VAL A 19 -3.624 -3.739 0.882 1.00 0.00 C ATOM 303 C VAL A 19 -2.462 -4.465 0.156 1.00 0.00 C ATOM 304 O VAL A 19 -1.284 -4.256 0.466 1.00 0.00 O ATOM 305 CB VAL A 19 -4.352 -4.760 1.813 1.00 0.00 C ATOM 306 CG1 VAL A 19 -3.395 -5.468 2.685 1.00 0.00 C ATOM 307 CG2 VAL A 19 -5.374 -4.093 2.680 1.00 0.00 C ATOM 0 H VAL A 19 -5.526 -3.521 0.027 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.228 -2.916 1.476 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.848 -5.472 1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.933 -6.171 3.321 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.676 -6.011 2.071 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.868 -4.746 3.308 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.857 -4.838 3.312 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.887 -3.346 3.307 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.123 -3.609 2.053 1.00 0.00 H new ATOM 317 N HIS A 20 -2.820 -5.317 -0.791 1.00 0.00 N ATOM 318 CA HIS A 20 -1.858 -6.055 -1.611 1.00 0.00 C ATOM 319 C HIS A 20 -0.912 -5.092 -2.333 1.00 0.00 C ATOM 320 O HIS A 20 0.320 -5.245 -2.284 1.00 0.00 O ATOM 321 CB HIS A 20 -2.628 -6.947 -2.611 1.00 0.00 C ATOM 322 CG HIS A 20 -1.805 -7.558 -3.706 1.00 0.00 C ATOM 323 ND1 HIS A 20 -1.960 -7.228 -5.026 1.00 0.00 N ATOM 324 CD2 HIS A 20 -0.811 -8.480 -3.664 1.00 0.00 C ATOM 325 CE1 HIS A 20 -1.087 -7.918 -5.734 1.00 0.00 C ATOM 326 NE2 HIS A 20 -0.355 -8.705 -4.961 1.00 0.00 N ATOM 0 H HIS A 20 -3.793 -5.521 -1.018 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.244 -6.690 -0.973 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.113 -7.750 -2.055 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.419 -6.351 -3.066 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -2.636 -6.561 -5.399 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.435 -8.960 -2.773 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.983 -7.850 -6.807 1.00 0.00 H new ATOM 334 N LYS A 21 -1.492 -4.098 -2.966 1.00 0.00 N ATOM 335 CA LYS A 21 -0.733 -3.093 -3.676 1.00 0.00 C ATOM 336 C LYS A 21 0.153 -2.291 -2.740 1.00 0.00 C ATOM 337 O LYS A 21 1.314 -2.007 -3.073 1.00 0.00 O ATOM 338 CB LYS A 21 -1.660 -2.239 -4.549 1.00 0.00 C ATOM 339 CG LYS A 21 -2.000 -2.976 -5.824 1.00 0.00 C ATOM 340 CD LYS A 21 -3.171 -2.416 -6.622 1.00 0.00 C ATOM 341 CE LYS A 21 -3.295 -3.253 -7.916 1.00 0.00 C ATOM 342 NZ LYS A 21 -4.396 -2.860 -8.818 1.00 0.00 N ATOM 0 H LYS A 21 -2.502 -3.963 -3.003 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.041 -3.587 -4.358 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.573 -2.004 -4.002 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.177 -1.291 -4.786 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.118 -2.981 -6.464 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.219 -4.014 -5.574 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.092 -2.470 -6.041 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.005 -1.365 -6.860 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.356 -3.185 -8.465 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.428 -4.299 -7.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.418 -3.499 -9.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.301 -2.920 -8.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.246 -1.884 -9.144 1.00 0.00 H new ATOM 356 N LEU A 22 -0.383 -1.974 -1.561 1.00 0.00 N ATOM 357 CA LEU A 22 0.357 -1.304 -0.498 1.00 0.00 C ATOM 358 C LEU A 22 1.654 -2.018 -0.225 1.00 0.00 C ATOM 359 O LEU A 22 2.713 -1.395 -0.283 1.00 0.00 O ATOM 360 CB LEU A 22 -0.491 -1.238 0.771 1.00 0.00 C ATOM 361 CG LEU A 22 -1.324 0.022 0.973 1.00 0.00 C ATOM 362 CD1 LEU A 22 -2.458 -0.248 1.945 1.00 0.00 C ATOM 363 CD2 LEU A 22 -0.444 1.079 1.573 1.00 0.00 C ATOM 0 H LEU A 22 -1.352 -2.178 -1.318 1.00 0.00 H new ATOM 0 HA LEU A 22 0.586 -0.288 -0.821 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.164 -2.095 0.775 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.172 -1.349 1.629 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.732 0.339 0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.045 0.660 2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.097 -1.037 1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.048 -0.561 2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.022 1.990 1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.057 0.730 2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.388 1.286 0.899 1.00 0.00 H new ATOM 375 N VAL A 23 1.570 -3.332 0.018 1.00 0.00 N ATOM 376 CA VAL A 23 2.755 -4.162 0.231 1.00 0.00 C ATOM 377 C VAL A 23 3.706 -4.033 -0.939 1.00 0.00 C ATOM 378 O VAL A 23 4.837 -3.733 -0.735 1.00 0.00 O ATOM 379 CB VAL A 23 2.415 -5.670 0.400 1.00 0.00 C ATOM 380 CG1 VAL A 23 3.697 -6.506 0.394 1.00 0.00 C ATOM 381 CG2 VAL A 23 1.677 -5.895 1.689 1.00 0.00 C ATOM 0 H VAL A 23 0.688 -3.842 0.071 1.00 0.00 H new ATOM 0 HA VAL A 23 3.211 -3.801 1.153 1.00 0.00 H new ATOM 0 HB VAL A 23 1.783 -5.976 -0.434 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.445 -7.560 0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.220 -6.363 -0.551 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.340 -6.192 1.216 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.445 -6.955 1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.299 -5.574 2.525 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.751 -5.320 1.683 1.00 0.00 H new ATOM 391 N GLN A 24 3.208 -4.215 -2.165 1.00 0.00 N ATOM 392 CA GLN A 24 4.075 -4.202 -3.362 1.00 0.00 C ATOM 393 C GLN A 24 4.916 -2.931 -3.477 1.00 0.00 C ATOM 394 O GLN A 24 6.048 -2.976 -3.952 1.00 0.00 O ATOM 395 CB GLN A 24 3.295 -4.399 -4.649 1.00 0.00 C ATOM 396 CG GLN A 24 2.545 -5.702 -4.747 1.00 0.00 C ATOM 397 CD GLN A 24 2.030 -5.935 -6.144 1.00 0.00 C ATOM 398 OE1 GLN A 24 1.729 -4.998 -6.891 1.00 0.00 O ATOM 399 NE2 GLN A 24 1.931 -7.171 -6.519 1.00 0.00 N ATOM 0 H GLN A 24 2.220 -4.372 -2.361 1.00 0.00 H new ATOM 0 HA GLN A 24 4.747 -5.049 -3.223 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.584 -3.579 -4.754 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.986 -4.331 -5.489 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.200 -6.524 -4.457 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.710 -5.697 -4.046 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.188 -7.921 -5.877 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.596 -7.394 -7.456 1.00 0.00 H new ATOM 408 N ALA A 25 4.354 -1.812 -3.077 1.00 0.00 N ATOM 409 CA ALA A 25 5.081 -0.568 -3.106 1.00 0.00 C ATOM 410 C ALA A 25 6.004 -0.411 -1.890 1.00 0.00 C ATOM 411 O ALA A 25 7.153 -0.034 -2.025 1.00 0.00 O ATOM 412 CB ALA A 25 4.108 0.559 -3.144 1.00 0.00 C ATOM 0 H ALA A 25 3.398 -1.740 -2.729 1.00 0.00 H new ATOM 0 HA ALA A 25 5.710 -0.563 -3.996 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.648 1.505 -3.166 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.488 0.474 -4.036 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.475 0.523 -2.257 1.00 0.00 H new ATOM 418 N ILE A 26 5.495 -0.710 -0.708 1.00 0.00 N ATOM 419 CA ILE A 26 6.256 -0.488 0.529 1.00 0.00 C ATOM 420 C ILE A 26 7.330 -1.588 0.723 1.00 0.00 C ATOM 421 O ILE A 26 8.361 -1.398 1.391 1.00 0.00 O ATOM 422 CB ILE A 26 5.277 -0.364 1.756 1.00 0.00 C ATOM 423 CG1 ILE A 26 5.958 0.212 3.025 1.00 0.00 C ATOM 424 CG2 ILE A 26 4.607 -1.695 2.058 1.00 0.00 C ATOM 425 CD1 ILE A 26 6.620 -0.807 3.931 1.00 0.00 C ATOM 0 H ILE A 26 4.565 -1.105 -0.569 1.00 0.00 H new ATOM 0 HA ILE A 26 6.795 0.456 0.454 1.00 0.00 H new ATOM 0 HB ILE A 26 4.512 0.355 1.463 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.709 0.938 2.715 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.210 0.754 3.603 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.937 -1.580 2.910 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.036 -2.021 1.188 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.367 -2.440 2.293 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.064 -0.299 4.787 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.875 -1.522 4.280 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.397 -1.334 3.378 1.00 0.00 H new ATOM 437 N PHE A 27 7.082 -2.691 0.119 1.00 0.00 N ATOM 438 CA PHE A 27 7.935 -3.824 0.118 1.00 0.00 C ATOM 439 C PHE A 27 8.026 -4.335 -1.314 1.00 0.00 C ATOM 440 O PHE A 27 7.129 -5.058 -1.766 1.00 0.00 O ATOM 441 CB PHE A 27 7.359 -4.932 1.026 1.00 0.00 C ATOM 442 CG PHE A 27 7.414 -4.664 2.505 1.00 0.00 C ATOM 443 CD1 PHE A 27 8.622 -4.658 3.176 1.00 0.00 C ATOM 444 CD2 PHE A 27 6.254 -4.431 3.226 1.00 0.00 C ATOM 445 CE1 PHE A 27 8.675 -4.422 4.541 1.00 0.00 C ATOM 446 CE2 PHE A 27 6.298 -4.196 4.589 1.00 0.00 C ATOM 447 CZ PHE A 27 7.511 -4.190 5.247 1.00 0.00 C ATOM 0 H PHE A 27 6.228 -2.837 -0.420 1.00 0.00 H new ATOM 0 HA PHE A 27 8.920 -3.550 0.496 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.319 -5.101 0.745 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.898 -5.857 0.824 1.00 0.00 H new ATOM 0 HD1 PHE A 27 9.536 -4.839 2.630 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.302 -4.433 2.717 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.626 -4.420 5.052 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.385 -4.018 5.137 1.00 0.00 H new ATOM 0 HZ PHE A 27 7.550 -4.005 6.310 1.00 0.00 H new ATOM 457 N PRO A 28 9.055 -3.917 -2.080 1.00 0.00 N ATOM 458 CA PRO A 28 9.219 -4.361 -3.461 1.00 0.00 C ATOM 459 C PRO A 28 9.513 -5.858 -3.514 1.00 0.00 C ATOM 460 O PRO A 28 10.654 -6.290 -3.405 1.00 0.00 O ATOM 461 CB PRO A 28 10.400 -3.540 -3.994 1.00 0.00 C ATOM 462 CG PRO A 28 11.138 -3.084 -2.777 1.00 0.00 C ATOM 463 CD PRO A 28 10.119 -2.979 -1.669 1.00 0.00 C ATOM 0 HA PRO A 28 8.319 -4.211 -4.058 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.039 -4.142 -4.640 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.055 -2.693 -4.587 1.00 0.00 H new ATOM 0 HG2 PRO A 28 11.925 -3.791 -2.514 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.619 -2.122 -2.953 1.00 0.00 H new ATOM 0 HD2 PRO A 28 10.546 -3.256 -0.705 1.00 0.00 H new ATOM 0 HD3 PRO A 28 9.739 -1.962 -1.569 1.00 0.00 H new ATOM 471 N THR A 29 8.461 -6.629 -3.589 1.00 0.00 N ATOM 472 CA THR A 29 8.542 -8.055 -3.538 1.00 0.00 C ATOM 473 C THR A 29 9.420 -8.637 -4.680 1.00 0.00 C ATOM 474 O THR A 29 9.241 -8.314 -5.868 1.00 0.00 O ATOM 475 CB THR A 29 7.127 -8.695 -3.496 1.00 0.00 C ATOM 476 OG1 THR A 29 7.221 -10.093 -3.227 1.00 0.00 O ATOM 477 CG2 THR A 29 6.380 -8.471 -4.794 1.00 0.00 C ATOM 0 H THR A 29 7.510 -6.273 -3.689 1.00 0.00 H new ATOM 0 HA THR A 29 9.045 -8.319 -2.608 1.00 0.00 H new ATOM 0 HB THR A 29 6.570 -8.211 -2.694 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.176 -10.592 -4.069 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.394 -8.932 -4.731 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.270 -7.401 -4.971 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.937 -8.919 -5.617 1.00 0.00 H new ATOM 485 N PRO A 30 10.386 -9.499 -4.318 1.00 0.00 N ATOM 486 CA PRO A 30 11.333 -10.089 -5.273 1.00 0.00 C ATOM 487 C PRO A 30 10.678 -11.160 -6.143 1.00 0.00 C ATOM 488 O PRO A 30 11.202 -11.539 -7.192 1.00 0.00 O ATOM 489 CB PRO A 30 12.382 -10.731 -4.355 1.00 0.00 C ATOM 490 CG PRO A 30 11.611 -11.093 -3.133 1.00 0.00 C ATOM 491 CD PRO A 30 10.639 -9.969 -2.935 1.00 0.00 C ATOM 0 HA PRO A 30 11.733 -9.352 -5.970 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.835 -11.608 -4.817 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.192 -10.038 -4.127 1.00 0.00 H new ATOM 0 HG2 PRO A 30 11.093 -12.044 -3.261 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.268 -11.202 -2.270 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.723 -10.308 -2.450 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.057 -9.179 -2.311 1.00 0.00 H new ATOM 499 N ASP A 31 9.542 -11.645 -5.697 1.00 0.00 N ATOM 500 CA ASP A 31 8.813 -12.682 -6.390 1.00 0.00 C ATOM 501 C ASP A 31 7.403 -12.640 -5.905 1.00 0.00 C ATOM 502 O ASP A 31 7.176 -12.302 -4.744 1.00 0.00 O ATOM 503 CB ASP A 31 9.371 -14.048 -6.030 1.00 0.00 C ATOM 504 CG ASP A 31 8.857 -15.146 -6.922 1.00 0.00 C ATOM 505 OD1 ASP A 31 9.425 -15.359 -8.001 1.00 0.00 O ATOM 506 OD2 ASP A 31 7.872 -15.816 -6.563 1.00 0.00 O ATOM 0 H ASP A 31 9.095 -11.329 -4.837 1.00 0.00 H new ATOM 0 HA ASP A 31 8.889 -12.524 -7.466 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.459 -14.018 -6.090 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.115 -14.278 -4.996 1.00 0.00 H new ATOM 511 N PRO A 32 6.429 -12.941 -6.748 1.00 0.00 N ATOM 512 CA PRO A 32 5.039 -13.004 -6.328 1.00 0.00 C ATOM 513 C PRO A 32 4.761 -14.065 -5.249 1.00 0.00 C ATOM 514 O PRO A 32 3.749 -14.000 -4.558 1.00 0.00 O ATOM 515 CB PRO A 32 4.281 -13.350 -7.588 1.00 0.00 C ATOM 516 CG PRO A 32 5.303 -13.839 -8.552 1.00 0.00 C ATOM 517 CD PRO A 32 6.570 -13.157 -8.198 1.00 0.00 C ATOM 0 HA PRO A 32 4.743 -12.059 -5.873 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.528 -14.114 -7.395 1.00 0.00 H new ATOM 0 HB3 PRO A 32 3.757 -12.479 -7.981 1.00 0.00 H new ATOM 0 HG2 PRO A 32 5.413 -14.921 -8.486 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.012 -13.610 -9.577 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.439 -13.771 -8.433 1.00 0.00 H new ATOM 0 HD3 PRO A 32 6.688 -12.217 -8.738 1.00 0.00 H new ATOM 525 N ALA A 33 5.641 -15.034 -5.089 1.00 0.00 N ATOM 526 CA ALA A 33 5.412 -16.044 -4.081 1.00 0.00 C ATOM 527 C ALA A 33 5.797 -15.555 -2.693 1.00 0.00 C ATOM 528 O ALA A 33 5.426 -16.169 -1.685 1.00 0.00 O ATOM 529 CB ALA A 33 6.073 -17.364 -4.419 1.00 0.00 C ATOM 0 H ALA A 33 6.499 -15.141 -5.630 1.00 0.00 H new ATOM 0 HA ALA A 33 4.338 -16.232 -4.071 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.869 -18.086 -3.628 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.677 -17.738 -5.363 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.150 -17.219 -4.509 1.00 0.00 H new ATOM 535 N ALA A 34 6.490 -14.424 -2.625 1.00 0.00 N ATOM 536 CA ALA A 34 6.823 -13.827 -1.341 1.00 0.00 C ATOM 537 C ALA A 34 5.594 -13.125 -0.771 1.00 0.00 C ATOM 538 O ALA A 34 5.567 -12.697 0.382 1.00 0.00 O ATOM 539 CB ALA A 34 7.992 -12.864 -1.476 1.00 0.00 C ATOM 0 H ALA A 34 6.829 -13.907 -3.437 1.00 0.00 H new ATOM 0 HA ALA A 34 7.129 -14.614 -0.652 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.221 -12.431 -0.502 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.864 -13.401 -1.849 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.730 -12.069 -2.174 1.00 0.00 H new ATOM 545 N LEU A 35 4.554 -13.077 -1.585 1.00 0.00 N ATOM 546 CA LEU A 35 3.318 -12.430 -1.240 1.00 0.00 C ATOM 547 C LEU A 35 2.345 -13.415 -0.588 1.00 0.00 C ATOM 548 O LEU A 35 1.219 -13.066 -0.267 1.00 0.00 O ATOM 549 CB LEU A 35 2.686 -11.861 -2.487 1.00 0.00 C ATOM 550 CG LEU A 35 3.565 -10.919 -3.293 1.00 0.00 C ATOM 551 CD1 LEU A 35 2.988 -10.731 -4.668 1.00 0.00 C ATOM 552 CD2 LEU A 35 3.685 -9.591 -2.591 1.00 0.00 C ATOM 0 H LEU A 35 4.553 -13.495 -2.515 1.00 0.00 H new ATOM 0 HA LEU A 35 3.534 -11.633 -0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.384 -12.688 -3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.778 -11.329 -2.203 1.00 0.00 H new ATOM 0 HG LEU A 35 4.560 -11.355 -3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.623 -10.055 -5.240 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.935 -11.694 -5.175 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.987 -10.307 -4.588 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.317 -8.925 -3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.696 -9.148 -2.480 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.129 -9.739 -1.607 1.00 0.00 H new ATOM 564 N LYS A 36 2.775 -14.644 -0.432 1.00 0.00 N ATOM 565 CA LYS A 36 1.965 -15.680 0.208 1.00 0.00 C ATOM 566 C LYS A 36 2.836 -16.423 1.226 1.00 0.00 C ATOM 567 O LYS A 36 2.506 -17.505 1.703 1.00 0.00 O ATOM 568 CB LYS A 36 1.399 -16.632 -0.872 1.00 0.00 C ATOM 569 CG LYS A 36 2.462 -17.297 -1.734 1.00 0.00 C ATOM 570 CD LYS A 36 1.872 -18.158 -2.853 1.00 0.00 C ATOM 571 CE LYS A 36 1.123 -17.333 -3.897 1.00 0.00 C ATOM 572 NZ LYS A 36 0.653 -18.170 -5.028 1.00 0.00 N ATOM 0 H LYS A 36 3.693 -14.964 -0.741 1.00 0.00 H new ATOM 0 HA LYS A 36 1.118 -15.241 0.736 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.806 -17.406 -0.384 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.722 -16.071 -1.517 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.100 -16.529 -2.172 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.098 -17.917 -1.103 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.674 -18.713 -3.341 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.193 -18.893 -2.421 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.270 -16.843 -3.429 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.775 -16.546 -4.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.149 -17.574 -5.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.469 -18.618 -5.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.010 -18.906 -4.672 1.00 0.00 H new ATOM 586 N ASP A 37 3.911 -15.766 1.581 1.00 0.00 N ATOM 587 CA ASP A 37 4.967 -16.309 2.429 1.00 0.00 C ATOM 588 C ASP A 37 4.787 -15.903 3.914 1.00 0.00 C ATOM 589 O ASP A 37 3.870 -15.161 4.258 1.00 0.00 O ATOM 590 CB ASP A 37 6.287 -15.783 1.871 1.00 0.00 C ATOM 591 CG ASP A 37 7.485 -16.133 2.653 1.00 0.00 C ATOM 592 OD1 ASP A 37 7.873 -17.291 2.675 1.00 0.00 O ATOM 593 OD2 ASP A 37 8.008 -15.254 3.327 1.00 0.00 O ATOM 0 H ASP A 37 4.091 -14.807 1.283 1.00 0.00 H new ATOM 0 HA ASP A 37 4.939 -17.399 2.416 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.411 -16.163 0.857 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.225 -14.697 1.799 1.00 0.00 H new ATOM 598 N ARG A 38 5.664 -16.395 4.774 1.00 0.00 N ATOM 599 CA ARG A 38 5.660 -16.108 6.202 1.00 0.00 C ATOM 600 C ARG A 38 6.087 -14.669 6.473 1.00 0.00 C ATOM 601 O ARG A 38 5.719 -14.084 7.483 1.00 0.00 O ATOM 602 CB ARG A 38 6.553 -17.126 6.935 1.00 0.00 C ATOM 603 CG ARG A 38 8.067 -16.797 7.089 1.00 0.00 C ATOM 604 CD ARG A 38 8.821 -16.799 5.766 1.00 0.00 C ATOM 605 NE ARG A 38 10.257 -16.502 5.924 1.00 0.00 N ATOM 606 CZ ARG A 38 11.071 -16.074 4.938 1.00 0.00 C ATOM 607 NH1 ARG A 38 10.574 -15.662 3.782 1.00 0.00 N ATOM 608 NH2 ARG A 38 12.379 -16.014 5.141 1.00 0.00 N ATOM 0 H ARG A 38 6.418 -17.021 4.492 1.00 0.00 H new ATOM 0 HA ARG A 38 4.645 -16.208 6.586 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.141 -17.273 7.933 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.470 -18.079 6.412 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.173 -15.819 7.558 1.00 0.00 H new ATOM 0 HG3 ARG A 38 8.523 -17.524 7.761 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.707 -17.773 5.290 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.374 -16.063 5.098 1.00 0.00 H new ATOM 0 HE ARG A 38 10.665 -16.630 6.850 1.00 0.00 H new ATOM 0 HH11 ARG A 38 9.565 -15.666 3.630 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.200 -15.340 3.043 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.769 -16.291 6.042 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.996 -15.691 4.396 1.00 0.00 H new ATOM 622 N ARG A 39 6.846 -14.103 5.559 1.00 0.00 N ATOM 623 CA ARG A 39 7.250 -12.725 5.660 1.00 0.00 C ATOM 624 C ARG A 39 6.069 -11.841 5.282 1.00 0.00 C ATOM 625 O ARG A 39 5.917 -10.717 5.785 1.00 0.00 O ATOM 626 CB ARG A 39 8.428 -12.477 4.736 1.00 0.00 C ATOM 627 CG ARG A 39 8.907 -11.050 4.705 1.00 0.00 C ATOM 628 CD ARG A 39 10.078 -10.904 3.777 1.00 0.00 C ATOM 629 NE ARG A 39 11.259 -11.644 4.247 1.00 0.00 N ATOM 630 CZ ARG A 39 12.056 -12.409 3.483 1.00 0.00 C ATOM 631 NH1 ARG A 39 11.697 -12.730 2.228 1.00 0.00 N ATOM 632 NH2 ARG A 39 13.182 -12.887 3.987 1.00 0.00 N ATOM 0 H ARG A 39 7.196 -14.585 4.731 1.00 0.00 H new ATOM 0 HA ARG A 39 7.558 -12.491 6.679 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.255 -13.118 5.042 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.150 -12.776 3.725 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.097 -10.396 4.382 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.191 -10.734 5.709 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.799 -11.261 2.785 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.330 -9.848 3.677 1.00 0.00 H new ATOM 0 HE ARG A 39 11.493 -11.570 5.237 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.813 -12.392 1.848 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.309 -13.311 1.655 1.00 0.00 H new ATOM 0 HH21 ARG A 39 13.440 -12.674 4.950 1.00 0.00 H new ATOM 0 HH22 ARG A 39 13.792 -13.469 3.412 1.00 0.00 H new ATOM 646 N MET A 40 5.202 -12.392 4.435 1.00 0.00 N ATOM 647 CA MET A 40 4.019 -11.707 3.962 1.00 0.00 C ATOM 648 C MET A 40 3.110 -11.302 5.088 1.00 0.00 C ATOM 649 O MET A 40 2.599 -10.220 5.051 1.00 0.00 O ATOM 650 CB MET A 40 3.283 -12.509 2.862 1.00 0.00 C ATOM 651 CG MET A 40 1.796 -12.176 2.641 1.00 0.00 C ATOM 652 SD MET A 40 1.400 -10.421 2.364 1.00 0.00 S ATOM 653 CE MET A 40 2.458 -9.949 1.023 1.00 0.00 C ATOM 0 H MET A 40 5.309 -13.334 4.059 1.00 0.00 H new ATOM 0 HA MET A 40 4.355 -10.782 3.494 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.809 -12.356 1.920 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.362 -13.569 3.103 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.440 -12.747 1.783 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.235 -12.521 3.509 1.00 0.00 H new ATOM 0 HE1 MET A 40 2.466 -8.863 0.931 1.00 0.00 H new ATOM 0 HE2 MET A 40 3.470 -10.304 1.216 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.089 -10.389 0.096 1.00 0.00 H new ATOM 663 N GLU A 41 2.985 -12.119 6.140 1.00 0.00 N ATOM 664 CA GLU A 41 2.081 -11.752 7.240 1.00 0.00 C ATOM 665 C GLU A 41 2.511 -10.412 7.845 1.00 0.00 C ATOM 666 O GLU A 41 1.697 -9.633 8.225 1.00 0.00 O ATOM 667 CB GLU A 41 2.017 -12.806 8.347 1.00 0.00 C ATOM 668 CG GLU A 41 3.264 -12.883 9.187 1.00 0.00 C ATOM 669 CD GLU A 41 3.103 -13.750 10.394 1.00 0.00 C ATOM 670 OE1 GLU A 41 2.567 -13.263 11.416 1.00 0.00 O ATOM 671 OE2 GLU A 41 3.512 -14.925 10.354 1.00 0.00 O ATOM 0 H GLU A 41 3.476 -13.005 6.255 1.00 0.00 H new ATOM 0 HA GLU A 41 1.083 -11.677 6.807 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.167 -12.588 8.994 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.833 -13.781 7.897 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.083 -13.266 8.578 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.545 -11.878 9.503 1.00 0.00 H new ATOM 678 N ASN A 42 3.819 -10.160 7.843 1.00 0.00 N ATOM 679 CA ASN A 42 4.396 -8.934 8.375 1.00 0.00 C ATOM 680 C ASN A 42 4.188 -7.785 7.405 1.00 0.00 C ATOM 681 O ASN A 42 3.809 -6.666 7.800 1.00 0.00 O ATOM 682 CB ASN A 42 5.899 -9.145 8.659 1.00 0.00 C ATOM 683 CG ASN A 42 6.662 -7.847 8.891 1.00 0.00 C ATOM 684 OD1 ASN A 42 7.280 -7.343 7.848 1.00 0.00 O flip ATOM 685 ND2 ASN A 42 6.719 -7.329 9.993 1.00 0.00 N flip ATOM 0 H ASN A 42 4.511 -10.809 7.468 1.00 0.00 H new ATOM 0 HA ASN A 42 3.895 -8.681 9.309 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.009 -9.783 9.536 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.348 -9.676 7.820 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.225 -7.750 10.780 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.260 -6.475 10.128 1.00 0.00 H new ATOM 692 N LEU A 43 4.413 -8.076 6.132 1.00 0.00 N ATOM 693 CA LEU A 43 4.277 -7.092 5.062 1.00 0.00 C ATOM 694 C LEU A 43 2.830 -6.633 4.986 1.00 0.00 C ATOM 695 O LEU A 43 2.528 -5.428 5.000 1.00 0.00 O ATOM 696 CB LEU A 43 4.680 -7.719 3.715 1.00 0.00 C ATOM 697 CG LEU A 43 5.988 -8.539 3.666 1.00 0.00 C ATOM 698 CD1 LEU A 43 6.271 -9.023 2.255 1.00 0.00 C ATOM 699 CD2 LEU A 43 7.169 -7.755 4.202 1.00 0.00 C ATOM 0 H LEU A 43 4.695 -9.001 5.809 1.00 0.00 H new ATOM 0 HA LEU A 43 4.928 -6.243 5.271 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.866 -8.367 3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.760 -6.916 2.982 1.00 0.00 H new ATOM 0 HG LEU A 43 5.847 -9.405 4.312 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.197 -9.598 2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.449 -9.653 1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.370 -8.166 1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.068 -8.369 4.149 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.309 -6.854 3.604 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.980 -7.477 5.239 1.00 0.00 H new ATOM 711 N VAL A 44 1.940 -7.599 4.975 1.00 0.00 N ATOM 712 CA VAL A 44 0.541 -7.351 4.871 1.00 0.00 C ATOM 713 C VAL A 44 0.012 -6.791 6.176 1.00 0.00 C ATOM 714 O VAL A 44 -0.928 -6.047 6.165 1.00 0.00 O ATOM 715 CB VAL A 44 -0.255 -8.620 4.437 1.00 0.00 C ATOM 716 CG1 VAL A 44 -0.520 -9.603 5.571 1.00 0.00 C ATOM 717 CG2 VAL A 44 -1.509 -8.267 3.674 1.00 0.00 C ATOM 0 H VAL A 44 2.182 -8.588 5.039 1.00 0.00 H new ATOM 0 HA VAL A 44 0.394 -6.610 4.085 1.00 0.00 H new ATOM 0 HB VAL A 44 0.401 -9.155 3.750 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.078 -10.458 5.189 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.428 -9.945 5.986 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.101 -9.111 6.351 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.032 -9.180 3.391 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.158 -7.657 4.303 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.244 -7.708 2.776 1.00 0.00 H new ATOM 727 N ALA A 45 0.651 -7.139 7.299 1.00 0.00 N ATOM 728 CA ALA A 45 0.262 -6.609 8.611 1.00 0.00 C ATOM 729 C ALA A 45 0.387 -5.094 8.596 1.00 0.00 C ATOM 730 O ALA A 45 -0.524 -4.373 9.029 1.00 0.00 O ATOM 731 CB ALA A 45 1.121 -7.206 9.732 1.00 0.00 C ATOM 0 H ALA A 45 1.440 -7.785 7.325 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.773 -6.890 8.808 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.807 -6.793 10.690 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.999 -8.289 9.746 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.169 -6.961 9.557 1.00 0.00 H new ATOM 737 N TYR A 46 1.512 -4.617 8.058 1.00 0.00 N ATOM 738 CA TYR A 46 1.734 -3.188 7.860 1.00 0.00 C ATOM 739 C TYR A 46 0.692 -2.630 6.909 1.00 0.00 C ATOM 740 O TYR A 46 0.090 -1.608 7.180 1.00 0.00 O ATOM 741 CB TYR A 46 3.162 -2.919 7.306 1.00 0.00 C ATOM 742 CG TYR A 46 3.346 -1.521 6.704 1.00 0.00 C ATOM 743 CD1 TYR A 46 3.026 -1.280 5.367 1.00 0.00 C ATOM 744 CD2 TYR A 46 3.800 -0.455 7.455 1.00 0.00 C ATOM 745 CE1 TYR A 46 3.157 -0.035 4.813 1.00 0.00 C ATOM 746 CE2 TYR A 46 3.931 0.800 6.892 1.00 0.00 C ATOM 747 CZ TYR A 46 3.608 0.999 5.579 1.00 0.00 C ATOM 748 OH TYR A 46 3.752 2.245 5.027 1.00 0.00 O ATOM 0 H TYR A 46 2.286 -5.206 7.751 1.00 0.00 H new ATOM 0 HA TYR A 46 1.644 -2.689 8.825 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.884 -3.054 8.111 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.391 -3.664 6.544 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.667 -2.094 4.755 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.055 -0.604 8.494 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.905 0.127 3.776 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.289 1.625 7.490 1.00 0.00 H new ATOM 0 HH TYR A 46 4.082 2.868 5.708 1.00 0.00 H new ATOM 758 N ALA A 47 0.487 -3.301 5.804 1.00 0.00 N ATOM 759 CA ALA A 47 -0.456 -2.832 4.811 1.00 0.00 C ATOM 760 C ALA A 47 -1.858 -2.703 5.398 1.00 0.00 C ATOM 761 O ALA A 47 -2.515 -1.716 5.195 1.00 0.00 O ATOM 762 CB ALA A 47 -0.446 -3.731 3.607 1.00 0.00 C ATOM 0 H ALA A 47 0.958 -4.174 5.566 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.146 -1.837 4.491 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.161 -3.362 2.872 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.552 -3.741 3.169 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.722 -4.742 3.906 1.00 0.00 H new ATOM 768 N LYS A 48 -2.256 -3.689 6.177 1.00 0.00 N ATOM 769 CA LYS A 48 -3.553 -3.721 6.843 1.00 0.00 C ATOM 770 C LYS A 48 -3.686 -2.634 7.887 1.00 0.00 C ATOM 771 O LYS A 48 -4.745 -2.034 8.023 1.00 0.00 O ATOM 772 CB LYS A 48 -3.746 -5.064 7.513 1.00 0.00 C ATOM 773 CG LYS A 48 -3.944 -6.214 6.544 1.00 0.00 C ATOM 774 CD LYS A 48 -3.860 -7.546 7.254 1.00 0.00 C ATOM 775 CE LYS A 48 -4.109 -8.709 6.306 1.00 0.00 C ATOM 776 NZ LYS A 48 -5.461 -8.680 5.703 1.00 0.00 N ATOM 0 H LYS A 48 -1.680 -4.508 6.372 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.314 -3.555 6.080 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.878 -5.275 8.138 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.610 -5.007 8.175 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.914 -6.119 6.056 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.187 -6.168 5.761 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.876 -7.653 7.710 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.591 -7.573 8.063 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.362 -8.691 5.512 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.977 -9.646 6.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.658 -9.594 5.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.168 -8.504 6.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.508 -7.922 4.993 1.00 0.00 H new ATOM 790 N LYS A 49 -2.619 -2.390 8.631 1.00 0.00 N ATOM 791 CA LYS A 49 -2.656 -1.391 9.686 1.00 0.00 C ATOM 792 C LYS A 49 -2.745 0.005 9.071 1.00 0.00 C ATOM 793 O LYS A 49 -3.470 0.877 9.559 1.00 0.00 O ATOM 794 CB LYS A 49 -1.443 -1.548 10.648 1.00 0.00 C ATOM 795 CG LYS A 49 -0.108 -1.226 10.096 1.00 0.00 C ATOM 796 CD LYS A 49 0.982 -1.595 11.088 1.00 0.00 C ATOM 797 CE LYS A 49 2.288 -0.871 10.804 1.00 0.00 C ATOM 798 NZ LYS A 49 2.226 0.559 11.190 1.00 0.00 N ATOM 0 H LYS A 49 -1.723 -2.866 8.525 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.547 -1.541 10.295 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.614 -0.912 11.517 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.424 -2.578 11.005 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.045 -1.765 9.161 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.051 -0.163 9.863 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.648 -1.355 12.098 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.151 -2.671 11.055 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.098 -1.358 11.347 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.523 -0.950 9.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.178 0.974 11.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.593 1.067 10.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.863 0.641 12.161 1.00 0.00 H new ATOM 812 N VAL A 50 -2.051 0.178 7.966 1.00 0.00 N ATOM 813 CA VAL A 50 -2.055 1.414 7.231 1.00 0.00 C ATOM 814 C VAL A 50 -3.404 1.612 6.545 1.00 0.00 C ATOM 815 O VAL A 50 -4.041 2.648 6.713 1.00 0.00 O ATOM 816 CB VAL A 50 -0.879 1.448 6.210 1.00 0.00 C ATOM 817 CG1 VAL A 50 -0.968 2.633 5.276 1.00 0.00 C ATOM 818 CG2 VAL A 50 0.429 1.508 6.956 1.00 0.00 C ATOM 0 H VAL A 50 -1.464 -0.546 7.553 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.908 2.241 7.925 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.940 0.541 5.608 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.127 2.614 4.583 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.902 2.585 4.715 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.940 3.556 5.855 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.253 1.532 6.243 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.456 2.407 7.572 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.525 0.629 7.593 1.00 0.00 H new ATOM 828 N GLU A 51 -3.850 0.585 5.838 1.00 0.00 N ATOM 829 CA GLU A 51 -5.126 0.575 5.131 1.00 0.00 C ATOM 830 C GLU A 51 -6.259 0.856 6.116 1.00 0.00 C ATOM 831 O GLU A 51 -7.093 1.718 5.869 1.00 0.00 O ATOM 832 CB GLU A 51 -5.279 -0.792 4.413 1.00 0.00 C ATOM 833 CG GLU A 51 -6.502 -1.002 3.520 1.00 0.00 C ATOM 834 CD GLU A 51 -7.785 -1.299 4.291 1.00 0.00 C ATOM 835 OE1 GLU A 51 -7.717 -1.946 5.342 1.00 0.00 O ATOM 836 OE2 GLU A 51 -8.880 -0.940 3.833 1.00 0.00 O ATOM 0 H GLU A 51 -3.326 -0.284 5.736 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.165 1.358 4.374 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.389 -0.950 3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.285 -1.571 5.176 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.653 -0.110 2.912 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.302 -1.826 2.834 1.00 0.00 H new ATOM 843 N GLY A 52 -6.226 0.169 7.254 1.00 0.00 N ATOM 844 CA GLY A 52 -7.222 0.351 8.294 1.00 0.00 C ATOM 845 C GLY A 52 -7.242 1.762 8.824 1.00 0.00 C ATOM 846 O GLY A 52 -8.304 2.330 9.054 1.00 0.00 O ATOM 0 H GLY A 52 -5.511 -0.524 7.476 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.206 0.099 7.900 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.020 -0.340 9.113 1.00 0.00 H new ATOM 850 N ASP A 53 -6.071 2.329 8.990 1.00 0.00 N ATOM 851 CA ASP A 53 -5.917 3.707 9.458 1.00 0.00 C ATOM 852 C ASP A 53 -6.602 4.679 8.510 1.00 0.00 C ATOM 853 O ASP A 53 -7.454 5.444 8.926 1.00 0.00 O ATOM 854 CB ASP A 53 -4.442 4.028 9.566 1.00 0.00 C ATOM 855 CG ASP A 53 -4.139 5.417 10.068 1.00 0.00 C ATOM 856 OD1 ASP A 53 -4.021 6.335 9.249 1.00 0.00 O ATOM 857 OD2 ASP A 53 -3.961 5.608 11.297 1.00 0.00 O ATOM 0 H ASP A 53 -5.187 1.854 8.806 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.387 3.808 10.436 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.974 3.304 10.233 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.983 3.902 8.585 1.00 0.00 H new ATOM 862 N MET A 54 -6.254 4.615 7.234 1.00 0.00 N ATOM 863 CA MET A 54 -6.880 5.480 6.211 1.00 0.00 C ATOM 864 C MET A 54 -8.347 5.191 6.027 1.00 0.00 C ATOM 865 O MET A 54 -9.129 6.098 5.783 1.00 0.00 O ATOM 866 CB MET A 54 -6.125 5.485 4.872 1.00 0.00 C ATOM 867 CG MET A 54 -5.519 4.193 4.455 1.00 0.00 C ATOM 868 SD MET A 54 -3.794 4.432 3.923 1.00 0.00 S ATOM 869 CE MET A 54 -3.084 5.353 5.311 1.00 0.00 C ATOM 0 H MET A 54 -5.545 3.979 6.870 1.00 0.00 H new ATOM 0 HA MET A 54 -6.802 6.493 6.606 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.814 5.808 4.092 1.00 0.00 H new ATOM 0 HB3 MET A 54 -5.334 6.232 4.928 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.554 3.485 5.283 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.099 3.760 3.640 1.00 0.00 H new ATOM 0 HE1 MET A 54 -1.996 5.317 5.253 1.00 0.00 H new ATOM 0 HE2 MET A 54 -3.415 6.390 5.267 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.412 4.907 6.250 1.00 0.00 H new ATOM 879 N TYR A 55 -8.713 3.942 6.170 1.00 0.00 N ATOM 880 CA TYR A 55 -10.100 3.508 6.135 1.00 0.00 C ATOM 881 C TYR A 55 -10.879 4.219 7.250 1.00 0.00 C ATOM 882 O TYR A 55 -11.853 4.895 6.997 1.00 0.00 O ATOM 883 CB TYR A 55 -10.118 1.979 6.312 1.00 0.00 C ATOM 884 CG TYR A 55 -11.455 1.308 6.524 1.00 0.00 C ATOM 885 CD1 TYR A 55 -12.366 1.151 5.491 1.00 0.00 C ATOM 886 CD2 TYR A 55 -11.770 0.769 7.765 1.00 0.00 C ATOM 887 CE1 TYR A 55 -13.558 0.475 5.695 1.00 0.00 C ATOM 888 CE2 TYR A 55 -12.952 0.106 7.978 1.00 0.00 C ATOM 889 CZ TYR A 55 -13.840 -0.044 6.946 1.00 0.00 C ATOM 890 OH TYR A 55 -15.011 -0.733 7.158 1.00 0.00 O ATOM 0 H TYR A 55 -8.050 3.181 6.317 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.576 3.761 5.188 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.657 1.535 5.430 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.482 1.733 7.162 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -12.144 1.560 4.516 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -11.069 0.874 8.580 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -14.261 0.354 4.884 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -13.181 -0.295 8.954 1.00 0.00 H new ATOM 0 HH TYR A 55 -15.051 -1.030 8.091 1.00 0.00 H new ATOM 900 N GLU A 56 -10.380 4.133 8.468 1.00 0.00 N ATOM 901 CA GLU A 56 -11.047 4.762 9.617 1.00 0.00 C ATOM 902 C GLU A 56 -10.896 6.302 9.598 1.00 0.00 C ATOM 903 O GLU A 56 -11.654 7.033 10.231 1.00 0.00 O ATOM 904 CB GLU A 56 -10.554 4.150 10.941 1.00 0.00 C ATOM 905 CG GLU A 56 -10.911 2.673 11.081 1.00 0.00 C ATOM 906 CD GLU A 56 -10.568 2.081 12.430 1.00 0.00 C ATOM 907 OE1 GLU A 56 -11.269 2.381 13.424 1.00 0.00 O ATOM 908 OE2 GLU A 56 -9.624 1.267 12.520 1.00 0.00 O ATOM 0 H GLU A 56 -9.518 3.638 8.698 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.114 4.554 9.536 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.472 4.265 11.008 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.986 4.704 11.775 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.979 2.550 10.903 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.392 2.109 10.306 1.00 0.00 H new ATOM 915 N SER A 57 -9.946 6.762 8.853 1.00 0.00 N ATOM 916 CA SER A 57 -9.652 8.177 8.697 1.00 0.00 C ATOM 917 C SER A 57 -10.495 8.873 7.610 1.00 0.00 C ATOM 918 O SER A 57 -10.722 10.086 7.671 1.00 0.00 O ATOM 919 CB SER A 57 -8.177 8.325 8.377 1.00 0.00 C ATOM 920 OG SER A 57 -7.380 8.150 9.527 1.00 0.00 O ATOM 0 H SER A 57 -9.326 6.158 8.313 1.00 0.00 H new ATOM 0 HA SER A 57 -9.911 8.669 9.635 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.892 7.594 7.621 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.993 9.312 7.952 1.00 0.00 H new ATOM 0 HG SER A 57 -7.198 7.196 9.656 1.00 0.00 H new ATOM 926 N ALA A 58 -10.926 8.132 6.633 1.00 0.00 N ATOM 927 CA ALA A 58 -11.659 8.693 5.515 1.00 0.00 C ATOM 928 C ALA A 58 -13.149 8.776 5.757 1.00 0.00 C ATOM 929 O ALA A 58 -13.676 8.199 6.716 1.00 0.00 O ATOM 930 CB ALA A 58 -11.411 7.890 4.286 1.00 0.00 C ATOM 0 H ALA A 58 -10.785 7.123 6.579 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.292 9.712 5.391 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -11.966 8.320 3.452 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.346 7.898 4.055 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.739 6.864 4.450 1.00 0.00 H new ATOM 936 N ASN A 59 -13.815 9.514 4.886 1.00 0.00 N ATOM 937 CA ASN A 59 -15.256 9.665 4.931 1.00 0.00 C ATOM 938 C ASN A 59 -15.953 8.938 3.803 1.00 0.00 C ATOM 939 O ASN A 59 -17.171 9.062 3.631 1.00 0.00 O ATOM 940 CB ASN A 59 -15.686 11.142 4.981 1.00 0.00 C ATOM 941 CG ASN A 59 -15.350 12.044 3.747 1.00 0.00 C ATOM 942 OD1 ASN A 59 -15.318 11.526 2.530 1.00 0.00 O flip ATOM 943 ND2 ASN A 59 -15.151 13.243 3.916 1.00 0.00 N flip ATOM 0 H ASN A 59 -13.368 10.027 4.126 1.00 0.00 H new ATOM 0 HA ASN A 59 -15.573 9.196 5.862 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.765 11.171 5.133 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -15.228 11.594 5.861 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -15.177 13.637 4.857 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -14.960 13.846 3.116 1.00 0.00 H new ATOM 950 N SER A 60 -15.190 8.197 3.039 1.00 0.00 N ATOM 951 CA SER A 60 -15.702 7.416 1.942 1.00 0.00 C ATOM 952 C SER A 60 -14.608 6.505 1.445 1.00 0.00 C ATOM 953 O SER A 60 -13.422 6.795 1.657 1.00 0.00 O ATOM 954 CB SER A 60 -16.226 8.333 0.840 1.00 0.00 C ATOM 955 OG SER A 60 -15.247 9.272 0.435 1.00 0.00 O ATOM 0 H SER A 60 -14.181 8.119 3.164 1.00 0.00 H new ATOM 0 HA SER A 60 -16.541 6.803 2.272 1.00 0.00 H new ATOM 0 HB2 SER A 60 -16.533 7.734 -0.017 1.00 0.00 H new ATOM 0 HB3 SER A 60 -17.112 8.860 1.195 1.00 0.00 H new ATOM 0 HG SER A 60 -15.301 9.404 -0.535 1.00 0.00 H new ATOM 961 N ARG A 61 -14.980 5.377 0.832 1.00 0.00 N ATOM 962 CA ARG A 61 -13.977 4.441 0.318 1.00 0.00 C ATOM 963 C ARG A 61 -13.145 5.095 -0.753 1.00 0.00 C ATOM 964 O ARG A 61 -11.971 4.888 -0.839 1.00 0.00 O ATOM 965 CB ARG A 61 -14.510 3.045 -0.176 1.00 0.00 C ATOM 966 CG ARG A 61 -15.541 3.015 -1.311 1.00 0.00 C ATOM 967 CD ARG A 61 -16.722 3.873 -1.043 1.00 0.00 C ATOM 968 NE ARG A 61 -17.799 3.637 -2.013 1.00 0.00 N ATOM 969 CZ ARG A 61 -18.671 4.561 -2.467 1.00 0.00 C ATOM 970 NH1 ARG A 61 -18.433 5.860 -2.326 1.00 0.00 N ATOM 971 NH2 ARG A 61 -19.719 4.170 -3.159 1.00 0.00 N ATOM 0 H ARG A 61 -15.948 5.094 0.682 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.369 4.200 1.190 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.650 2.455 -0.494 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -14.947 2.534 0.682 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.065 3.340 -2.236 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.872 1.988 -1.467 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -17.091 3.679 -0.036 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -16.425 4.921 -1.077 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.897 2.689 -2.376 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -17.578 6.175 -1.867 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -19.105 6.543 -2.676 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -19.865 3.178 -3.347 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -20.386 4.859 -3.508 1.00 0.00 H new ATOM 985 N ASP A 62 -13.786 5.915 -1.522 1.00 0.00 N ATOM 986 CA ASP A 62 -13.179 6.694 -2.575 1.00 0.00 C ATOM 987 C ASP A 62 -12.150 7.672 -2.015 1.00 0.00 C ATOM 988 O ASP A 62 -11.085 7.844 -2.604 1.00 0.00 O ATOM 989 CB ASP A 62 -14.279 7.399 -3.380 1.00 0.00 C ATOM 990 CG ASP A 62 -15.370 7.944 -2.486 1.00 0.00 C ATOM 991 OD1 ASP A 62 -16.156 7.124 -1.936 1.00 0.00 O ATOM 992 OD2 ASP A 62 -15.455 9.160 -2.270 1.00 0.00 O ATOM 0 H ASP A 62 -14.790 6.073 -1.437 1.00 0.00 H new ATOM 0 HA ASP A 62 -12.633 6.033 -3.249 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -13.841 8.214 -3.957 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -14.711 6.699 -4.095 1.00 0.00 H new ATOM 997 N GLU A 63 -12.446 8.269 -0.858 1.00 0.00 N ATOM 998 CA GLU A 63 -11.496 9.145 -0.176 1.00 0.00 C ATOM 999 C GLU A 63 -10.333 8.341 0.403 1.00 0.00 C ATOM 1000 O GLU A 63 -9.167 8.715 0.244 1.00 0.00 O ATOM 1001 CB GLU A 63 -12.192 9.986 0.927 1.00 0.00 C ATOM 1002 CG GLU A 63 -11.224 10.702 1.871 1.00 0.00 C ATOM 1003 CD GLU A 63 -11.861 11.705 2.776 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -12.109 12.845 2.352 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -12.083 11.380 3.957 1.00 0.00 O ATOM 0 H GLU A 63 -13.338 8.160 -0.375 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.095 9.838 -0.916 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.835 10.727 0.452 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.838 9.333 1.513 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.714 9.956 2.480 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.461 11.203 1.275 1.00 0.00 H new ATOM 1012 N TYR A 64 -10.647 7.218 1.035 1.00 0.00 N ATOM 1013 CA TYR A 64 -9.619 6.394 1.665 1.00 0.00 C ATOM 1014 C TYR A 64 -8.700 5.802 0.613 1.00 0.00 C ATOM 1015 O TYR A 64 -7.484 5.852 0.751 1.00 0.00 O ATOM 1016 CB TYR A 64 -10.253 5.332 2.627 1.00 0.00 C ATOM 1017 CG TYR A 64 -10.046 3.868 2.308 1.00 0.00 C ATOM 1018 CD1 TYR A 64 -10.910 3.196 1.477 1.00 0.00 C ATOM 1019 CD2 TYR A 64 -8.997 3.169 2.854 1.00 0.00 C ATOM 1020 CE1 TYR A 64 -10.741 1.872 1.190 1.00 0.00 C ATOM 1021 CE2 TYR A 64 -8.818 1.843 2.576 1.00 0.00 C ATOM 1022 CZ TYR A 64 -9.695 1.196 1.739 1.00 0.00 C ATOM 1023 OH TYR A 64 -9.516 -0.130 1.458 1.00 0.00 O ATOM 0 H TYR A 64 -11.597 6.857 1.126 1.00 0.00 H new ATOM 0 HA TYR A 64 -8.993 7.021 2.301 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -9.862 5.514 3.628 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.327 5.516 2.666 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -11.742 3.728 1.041 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.305 3.674 3.511 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -11.432 1.365 0.533 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.990 1.305 3.013 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.885 -0.518 2.100 1.00 0.00 H new ATOM 1033 N TYR A 65 -9.302 5.312 -0.460 1.00 0.00 N ATOM 1034 CA TYR A 65 -8.592 4.779 -1.592 1.00 0.00 C ATOM 1035 C TYR A 65 -7.736 5.870 -2.214 1.00 0.00 C ATOM 1036 O TYR A 65 -6.607 5.628 -2.538 1.00 0.00 O ATOM 1037 CB TYR A 65 -9.605 4.141 -2.591 1.00 0.00 C ATOM 1038 CG TYR A 65 -9.145 3.835 -4.013 1.00 0.00 C ATOM 1039 CD1 TYR A 65 -7.852 3.422 -4.317 1.00 0.00 C ATOM 1040 CD2 TYR A 65 -10.045 3.971 -5.059 1.00 0.00 C ATOM 1041 CE1 TYR A 65 -7.482 3.161 -5.621 1.00 0.00 C ATOM 1042 CE2 TYR A 65 -9.683 3.709 -6.358 1.00 0.00 C ATOM 1043 CZ TYR A 65 -8.403 3.307 -6.637 1.00 0.00 C ATOM 1044 OH TYR A 65 -8.035 3.046 -7.940 1.00 0.00 O ATOM 0 H TYR A 65 -10.316 5.277 -0.561 1.00 0.00 H new ATOM 0 HA TYR A 65 -7.913 3.984 -1.284 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.959 3.208 -2.151 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.465 4.807 -2.659 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.129 3.304 -3.523 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.055 4.291 -4.847 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.474 2.843 -5.845 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.403 3.819 -7.155 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.801 3.196 -8.533 1.00 0.00 H new ATOM 1054 N HIS A 66 -8.273 7.087 -2.291 1.00 0.00 N ATOM 1055 CA HIS A 66 -7.556 8.225 -2.875 1.00 0.00 C ATOM 1056 C HIS A 66 -6.270 8.519 -2.127 1.00 0.00 C ATOM 1057 O HIS A 66 -5.197 8.480 -2.701 1.00 0.00 O ATOM 1058 CB HIS A 66 -8.437 9.490 -2.853 1.00 0.00 C ATOM 1059 CG HIS A 66 -7.778 10.728 -3.400 1.00 0.00 C ATOM 1060 ND1 HIS A 66 -7.420 11.037 -4.661 1.00 0.00 N flip ATOM 1061 CD2 HIS A 66 -7.432 11.815 -2.630 1.00 0.00 C flip ATOM 1062 CE1 HIS A 66 -6.856 12.309 -4.680 1.00 0.00 C flip ATOM 1063 NE2 HIS A 66 -6.890 12.730 -3.425 1.00 0.00 N flip ATOM 0 H HIS A 66 -9.209 7.313 -1.954 1.00 0.00 H new ATOM 0 HA HIS A 66 -7.315 7.955 -3.903 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.343 9.294 -3.426 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.745 9.683 -1.825 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.576 11.908 -1.564 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.472 12.841 -5.538 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -6.545 13.637 -3.111 1.00 0.00 H new ATOM 1071 N LEU A 67 -6.389 8.774 -0.850 1.00 0.00 N ATOM 1072 CA LEU A 67 -5.253 9.191 -0.071 1.00 0.00 C ATOM 1073 C LEU A 67 -4.236 8.056 0.102 1.00 0.00 C ATOM 1074 O LEU A 67 -3.020 8.294 0.168 1.00 0.00 O ATOM 1075 CB LEU A 67 -5.714 9.846 1.258 1.00 0.00 C ATOM 1076 CG LEU A 67 -6.505 8.991 2.252 1.00 0.00 C ATOM 1077 CD1 LEU A 67 -5.587 8.174 3.097 1.00 0.00 C ATOM 1078 CD2 LEU A 67 -7.407 9.830 3.130 1.00 0.00 C ATOM 0 H LEU A 67 -7.262 8.700 -0.327 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.714 9.965 -0.616 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.827 10.217 1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.324 10.714 1.007 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.137 8.325 1.665 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.172 7.575 3.795 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.996 7.515 2.460 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.921 8.834 3.654 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.949 9.182 3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.805 10.540 3.697 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.118 10.373 2.507 1.00 0.00 H new ATOM 1090 N LEU A 68 -4.721 6.821 0.121 1.00 0.00 N ATOM 1091 CA LEU A 68 -3.828 5.705 0.244 1.00 0.00 C ATOM 1092 C LEU A 68 -3.135 5.469 -1.099 1.00 0.00 C ATOM 1093 O LEU A 68 -1.974 5.060 -1.153 1.00 0.00 O ATOM 1094 CB LEU A 68 -4.558 4.451 0.792 1.00 0.00 C ATOM 1095 CG LEU A 68 -5.274 3.495 -0.154 1.00 0.00 C ATOM 1096 CD1 LEU A 68 -4.285 2.515 -0.741 1.00 0.00 C ATOM 1097 CD2 LEU A 68 -6.331 2.748 0.602 1.00 0.00 C ATOM 0 H LEU A 68 -5.710 6.582 0.054 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.056 5.928 0.980 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.822 3.866 1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.295 4.799 1.516 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.734 4.065 -0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.804 1.835 -1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.518 3.059 -1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.819 1.944 0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.845 2.063 -0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.869 2.182 1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.049 3.455 1.018 1.00 0.00 H new ATOM 1109 N ALA A 69 -3.851 5.756 -2.175 1.00 0.00 N ATOM 1110 CA ALA A 69 -3.311 5.668 -3.508 1.00 0.00 C ATOM 1111 C ALA A 69 -2.234 6.722 -3.674 1.00 0.00 C ATOM 1112 O ALA A 69 -1.210 6.479 -4.262 1.00 0.00 O ATOM 1113 CB ALA A 69 -4.404 5.832 -4.548 1.00 0.00 C ATOM 0 H ALA A 69 -4.825 6.057 -2.140 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.872 4.681 -3.657 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.971 5.762 -5.546 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.149 5.047 -4.420 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.879 6.806 -4.427 1.00 0.00 H new ATOM 1119 N GLU A 70 -2.457 7.865 -3.076 1.00 0.00 N ATOM 1120 CA GLU A 70 -1.500 8.949 -3.103 1.00 0.00 C ATOM 1121 C GLU A 70 -0.215 8.581 -2.392 1.00 0.00 C ATOM 1122 O GLU A 70 0.895 8.850 -2.904 1.00 0.00 O ATOM 1123 CB GLU A 70 -2.113 10.207 -2.515 1.00 0.00 C ATOM 1124 CG GLU A 70 -3.114 10.851 -3.443 1.00 0.00 C ATOM 1125 CD GLU A 70 -2.446 11.602 -4.569 1.00 0.00 C ATOM 1126 OE1 GLU A 70 -1.583 11.049 -5.267 1.00 0.00 O ATOM 1127 OE2 GLU A 70 -2.729 12.801 -4.733 1.00 0.00 O ATOM 0 H GLU A 70 -3.309 8.073 -2.555 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.242 9.144 -4.144 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.602 9.962 -1.572 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.321 10.921 -2.288 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.768 10.084 -3.858 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.745 11.535 -2.876 1.00 0.00 H new ATOM 1134 N LYS A 71 -0.334 7.961 -1.234 1.00 0.00 N ATOM 1135 CA LYS A 71 0.846 7.559 -0.507 1.00 0.00 C ATOM 1136 C LYS A 71 1.581 6.426 -1.230 1.00 0.00 C ATOM 1137 O LYS A 71 2.790 6.433 -1.314 1.00 0.00 O ATOM 1138 CB LYS A 71 0.552 7.246 0.996 1.00 0.00 C ATOM 1139 CG LYS A 71 -0.392 6.077 1.279 1.00 0.00 C ATOM 1140 CD LYS A 71 0.300 4.701 1.316 1.00 0.00 C ATOM 1141 CE LYS A 71 0.988 4.396 2.656 1.00 0.00 C ATOM 1142 NZ LYS A 71 2.142 5.267 2.968 1.00 0.00 N ATOM 0 H LYS A 71 -1.220 7.730 -0.786 1.00 0.00 H new ATOM 0 HA LYS A 71 1.524 8.412 -0.489 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.501 7.046 1.494 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.133 8.141 1.455 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.887 6.248 2.235 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.170 6.060 0.516 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.439 3.926 1.111 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.041 4.654 0.518 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.253 4.488 3.456 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.324 3.359 2.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.769 4.784 3.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.667 5.473 2.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.802 6.157 3.386 1.00 0.00 H new ATOM 1156 N ILE A 72 0.852 5.489 -1.803 1.00 0.00 N ATOM 1157 CA ILE A 72 1.500 4.386 -2.491 1.00 0.00 C ATOM 1158 C ILE A 72 2.193 4.888 -3.771 1.00 0.00 C ATOM 1159 O ILE A 72 3.317 4.518 -4.059 1.00 0.00 O ATOM 1160 CB ILE A 72 0.520 3.203 -2.794 1.00 0.00 C ATOM 1161 CG1 ILE A 72 1.254 2.024 -3.321 1.00 0.00 C ATOM 1162 CG2 ILE A 72 -0.532 3.574 -3.756 1.00 0.00 C ATOM 1163 CD1 ILE A 72 0.371 0.861 -3.659 1.00 0.00 C ATOM 0 H ILE A 72 -0.168 5.466 -1.808 1.00 0.00 H new ATOM 0 HA ILE A 72 2.258 3.984 -1.819 1.00 0.00 H new ATOM 0 HB ILE A 72 0.047 2.954 -1.844 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.805 2.321 -4.213 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.990 1.706 -2.582 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.184 2.718 -3.931 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.118 4.400 -3.354 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.074 3.879 -4.697 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.980 0.040 -4.037 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.161 0.536 -2.765 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.349 1.160 -4.421 1.00 0.00 H new ATOM 1175 N TYR A 73 1.524 5.779 -4.464 1.00 0.00 N ATOM 1176 CA TYR A 73 1.995 6.396 -5.689 1.00 0.00 C ATOM 1177 C TYR A 73 3.320 7.099 -5.477 1.00 0.00 C ATOM 1178 O TYR A 73 4.301 6.851 -6.229 1.00 0.00 O ATOM 1179 CB TYR A 73 0.900 7.364 -6.162 1.00 0.00 C ATOM 1180 CG TYR A 73 1.204 8.307 -7.289 1.00 0.00 C ATOM 1181 CD1 TYR A 73 1.827 9.510 -7.040 1.00 0.00 C ATOM 1182 CD2 TYR A 73 0.813 8.028 -8.578 1.00 0.00 C ATOM 1183 CE1 TYR A 73 2.060 10.414 -8.042 1.00 0.00 C ATOM 1184 CE2 TYR A 73 1.049 8.920 -9.594 1.00 0.00 C ATOM 1185 CZ TYR A 73 1.669 10.115 -9.319 1.00 0.00 C ATOM 1186 OH TYR A 73 1.920 11.012 -10.336 1.00 0.00 O ATOM 0 H TYR A 73 0.601 6.109 -4.182 1.00 0.00 H new ATOM 0 HA TYR A 73 2.179 5.641 -6.453 1.00 0.00 H new ATOM 0 HB2 TYR A 73 0.037 6.767 -6.455 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.596 7.963 -5.304 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.138 9.745 -6.033 1.00 0.00 H new ATOM 0 HD2 TYR A 73 0.314 7.095 -8.793 1.00 0.00 H new ATOM 0 HE1 TYR A 73 2.547 11.353 -7.827 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.749 8.684 -10.604 1.00 0.00 H new ATOM 0 HH TYR A 73 1.582 10.651 -11.182 1.00 0.00 H new ATOM 1196 N LYS A 74 3.374 7.950 -4.452 1.00 0.00 N ATOM 1197 CA LYS A 74 4.584 8.678 -4.172 1.00 0.00 C ATOM 1198 C LYS A 74 5.679 7.702 -3.805 1.00 0.00 C ATOM 1199 O LYS A 74 6.768 7.821 -4.293 1.00 0.00 O ATOM 1200 CB LYS A 74 4.411 9.745 -3.072 1.00 0.00 C ATOM 1201 CG LYS A 74 4.116 9.190 -1.696 1.00 0.00 C ATOM 1202 CD LYS A 74 4.100 10.264 -0.621 1.00 0.00 C ATOM 1203 CE LYS A 74 3.094 11.375 -0.889 1.00 0.00 C ATOM 1204 NZ LYS A 74 3.165 12.406 0.163 1.00 0.00 N ATOM 0 H LYS A 74 2.599 8.142 -3.817 1.00 0.00 H new ATOM 0 HA LYS A 74 4.855 9.223 -5.076 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.320 10.345 -3.020 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.602 10.416 -3.360 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.151 8.684 -1.712 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.865 8.440 -1.443 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.872 9.802 0.340 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.096 10.699 -0.538 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.293 11.826 -1.861 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.087 10.959 -0.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.472 13.155 -0.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.953 11.976 1.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.121 12.816 0.184 1.00 0.00 H new ATOM 1218 N ILE A 75 5.324 6.676 -3.019 1.00 0.00 N ATOM 1219 CA ILE A 75 6.259 5.663 -2.584 1.00 0.00 C ATOM 1220 C ILE A 75 6.859 4.918 -3.782 1.00 0.00 C ATOM 1221 O ILE A 75 8.056 4.638 -3.805 1.00 0.00 O ATOM 1222 CB ILE A 75 5.588 4.663 -1.557 1.00 0.00 C ATOM 1223 CG1 ILE A 75 5.837 5.059 -0.092 1.00 0.00 C ATOM 1224 CG2 ILE A 75 6.006 3.234 -1.775 1.00 0.00 C ATOM 1225 CD1 ILE A 75 5.261 6.376 0.328 1.00 0.00 C ATOM 0 H ILE A 75 4.375 6.537 -2.673 1.00 0.00 H new ATOM 0 HA ILE A 75 7.075 6.164 -2.063 1.00 0.00 H new ATOM 0 HB ILE A 75 4.519 4.738 -1.754 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.426 4.281 0.551 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.913 5.081 0.082 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.514 2.595 -1.042 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.720 2.920 -2.779 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.087 3.150 -1.663 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.494 6.557 1.377 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.689 7.172 -0.282 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.179 6.359 0.195 1.00 0.00 H new ATOM 1237 N GLN A 76 6.047 4.653 -4.789 1.00 0.00 N ATOM 1238 CA GLN A 76 6.522 3.910 -5.929 1.00 0.00 C ATOM 1239 C GLN A 76 7.506 4.701 -6.741 1.00 0.00 C ATOM 1240 O GLN A 76 8.568 4.193 -7.109 1.00 0.00 O ATOM 1241 CB GLN A 76 5.403 3.367 -6.792 1.00 0.00 C ATOM 1242 CG GLN A 76 4.462 2.474 -6.019 1.00 0.00 C ATOM 1243 CD GLN A 76 3.809 1.426 -6.864 1.00 0.00 C ATOM 1244 OE1 GLN A 76 4.364 0.976 -7.860 1.00 0.00 O ATOM 1245 NE2 GLN A 76 2.646 0.991 -6.459 1.00 0.00 N ATOM 0 H GLN A 76 5.069 4.939 -4.836 1.00 0.00 H new ATOM 0 HA GLN A 76 7.045 3.044 -5.524 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.842 4.198 -7.220 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.829 2.807 -7.625 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.013 1.989 -5.213 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.691 3.088 -5.554 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.215 1.390 -5.625 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.169 0.253 -6.977 1.00 0.00 H new ATOM 1254 N LYS A 77 7.206 5.953 -6.997 1.00 0.00 N ATOM 1255 CA LYS A 77 8.138 6.749 -7.728 1.00 0.00 C ATOM 1256 C LYS A 77 9.341 7.154 -6.885 1.00 0.00 C ATOM 1257 O LYS A 77 10.445 7.349 -7.409 1.00 0.00 O ATOM 1258 CB LYS A 77 7.454 7.881 -8.410 1.00 0.00 C ATOM 1259 CG LYS A 77 6.457 8.628 -7.559 1.00 0.00 C ATOM 1260 CD LYS A 77 5.733 9.640 -8.375 1.00 0.00 C ATOM 1261 CE LYS A 77 4.982 9.022 -9.567 1.00 0.00 C ATOM 1262 NZ LYS A 77 4.584 10.044 -10.561 1.00 0.00 N ATOM 0 H LYS A 77 6.346 6.424 -6.715 1.00 0.00 H new ATOM 0 HA LYS A 77 8.561 6.135 -8.523 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.209 8.584 -8.761 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.941 7.498 -9.292 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.745 7.927 -7.122 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.971 9.118 -6.732 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.023 10.171 -7.740 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.445 10.379 -8.744 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.615 8.276 -10.047 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.095 8.502 -9.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.610 9.630 -11.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.620 10.373 -10.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.242 10.848 -10.515 1.00 0.00 H new ATOM 1276 N GLU A 78 9.116 7.239 -5.589 1.00 0.00 N ATOM 1277 CA GLU A 78 10.143 7.501 -4.609 1.00 0.00 C ATOM 1278 C GLU A 78 11.165 6.366 -4.687 1.00 0.00 C ATOM 1279 O GLU A 78 12.371 6.597 -4.802 1.00 0.00 O ATOM 1280 CB GLU A 78 9.499 7.472 -3.224 1.00 0.00 C ATOM 1281 CG GLU A 78 10.281 8.139 -2.124 1.00 0.00 C ATOM 1282 CD GLU A 78 10.336 9.630 -2.298 1.00 0.00 C ATOM 1283 OE1 GLU A 78 9.331 10.320 -1.999 1.00 0.00 O ATOM 1284 OE2 GLU A 78 11.377 10.153 -2.738 1.00 0.00 O ATOM 0 H GLU A 78 8.188 7.124 -5.181 1.00 0.00 H new ATOM 0 HA GLU A 78 10.618 8.465 -4.790 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.521 7.948 -3.289 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.329 6.432 -2.945 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.827 7.903 -1.162 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.295 7.738 -2.105 1.00 0.00 H new ATOM 1291 N LEU A 79 10.661 5.124 -4.669 1.00 0.00 N ATOM 1292 CA LEU A 79 11.511 3.958 -4.692 1.00 0.00 C ATOM 1293 C LEU A 79 12.278 3.813 -5.983 1.00 0.00 C ATOM 1294 O LEU A 79 13.464 3.515 -5.946 1.00 0.00 O ATOM 1295 CB LEU A 79 10.776 2.642 -4.278 1.00 0.00 C ATOM 1296 CG LEU A 79 9.629 2.110 -5.161 1.00 0.00 C ATOM 1297 CD1 LEU A 79 10.133 1.307 -6.357 1.00 0.00 C ATOM 1298 CD2 LEU A 79 8.659 1.294 -4.348 1.00 0.00 C ATOM 0 H LEU A 79 9.663 4.916 -4.638 1.00 0.00 H new ATOM 0 HA LEU A 79 12.255 4.134 -3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.527 1.855 -4.207 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.376 2.792 -3.275 1.00 0.00 H new ATOM 0 HG LEU A 79 9.110 2.983 -5.558 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.284 0.957 -6.944 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.768 1.939 -6.978 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.708 0.451 -6.004 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.859 0.930 -4.993 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.180 0.446 -3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.234 1.914 -3.558 1.00 0.00 H new ATOM 1310 N GLU A 80 11.636 4.057 -7.113 1.00 0.00 N ATOM 1311 CA GLU A 80 12.326 3.883 -8.377 1.00 0.00 C ATOM 1312 C GLU A 80 13.408 4.927 -8.602 1.00 0.00 C ATOM 1313 O GLU A 80 14.493 4.582 -9.070 1.00 0.00 O ATOM 1314 CB GLU A 80 11.384 3.746 -9.582 1.00 0.00 C ATOM 1315 CG GLU A 80 10.412 4.877 -9.754 1.00 0.00 C ATOM 1316 CD GLU A 80 9.595 4.756 -11.012 1.00 0.00 C ATOM 1317 OE1 GLU A 80 10.036 5.268 -12.065 1.00 0.00 O ATOM 1318 OE2 GLU A 80 8.509 4.146 -10.986 1.00 0.00 O ATOM 0 H GLU A 80 10.667 4.367 -7.182 1.00 0.00 H new ATOM 0 HA GLU A 80 12.832 2.921 -8.295 1.00 0.00 H new ATOM 0 HB2 GLU A 80 11.985 3.662 -10.487 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.824 2.816 -9.483 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.744 4.910 -8.894 1.00 0.00 H new ATOM 0 HG3 GLU A 80 10.958 5.820 -9.770 1.00 0.00 H new ATOM 1325 N GLU A 81 13.164 6.185 -8.223 1.00 0.00 N ATOM 1326 CA GLU A 81 14.197 7.188 -8.414 1.00 0.00 C ATOM 1327 C GLU A 81 15.366 6.938 -7.469 1.00 0.00 C ATOM 1328 O GLU A 81 16.509 7.030 -7.866 1.00 0.00 O ATOM 1329 CB GLU A 81 13.687 8.642 -8.302 1.00 0.00 C ATOM 1330 CG GLU A 81 13.178 9.059 -6.933 1.00 0.00 C ATOM 1331 CD GLU A 81 12.851 10.528 -6.873 1.00 0.00 C ATOM 1332 OE1 GLU A 81 13.752 11.348 -6.578 1.00 0.00 O ATOM 1333 OE2 GLU A 81 11.698 10.907 -7.115 1.00 0.00 O ATOM 0 H GLU A 81 12.297 6.517 -7.801 1.00 0.00 H new ATOM 0 HA GLU A 81 14.539 7.080 -9.443 1.00 0.00 H new ATOM 0 HB2 GLU A 81 14.496 9.314 -8.589 1.00 0.00 H new ATOM 0 HB3 GLU A 81 12.884 8.783 -9.026 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.288 8.480 -6.686 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.931 8.825 -6.180 1.00 0.00 H new ATOM 1340 N LYS A 82 15.070 6.545 -6.228 1.00 0.00 N ATOM 1341 CA LYS A 82 16.130 6.300 -5.254 1.00 0.00 C ATOM 1342 C LYS A 82 16.940 5.052 -5.625 1.00 0.00 C ATOM 1343 O LYS A 82 18.134 4.980 -5.356 1.00 0.00 O ATOM 1344 CB LYS A 82 15.567 6.270 -3.787 1.00 0.00 C ATOM 1345 CG LYS A 82 14.673 5.073 -3.437 1.00 0.00 C ATOM 1346 CD LYS A 82 15.494 3.904 -2.940 1.00 0.00 C ATOM 1347 CE LYS A 82 14.777 2.572 -3.075 1.00 0.00 C ATOM 1348 NZ LYS A 82 13.581 2.392 -2.208 1.00 0.00 N ATOM 0 H LYS A 82 14.123 6.393 -5.880 1.00 0.00 H new ATOM 0 HA LYS A 82 16.829 7.136 -5.285 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.409 6.285 -3.095 1.00 0.00 H new ATOM 0 HB3 LYS A 82 14.999 7.185 -3.618 1.00 0.00 H new ATOM 0 HG2 LYS A 82 13.952 5.365 -2.673 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.102 4.773 -4.316 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.431 3.863 -3.496 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.751 4.067 -1.893 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.472 2.448 -4.114 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.486 1.774 -2.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.218 1.423 -2.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.844 2.556 -1.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.844 3.071 -2.488 1.00 0.00 H new ATOM 1362 N ARG A 83 16.275 4.092 -6.247 1.00 0.00 N ATOM 1363 CA ARG A 83 16.903 2.858 -6.689 1.00 0.00 C ATOM 1364 C ARG A 83 17.716 3.058 -7.958 1.00 0.00 C ATOM 1365 O ARG A 83 18.860 2.607 -8.043 1.00 0.00 O ATOM 1366 CB ARG A 83 15.843 1.778 -6.924 1.00 0.00 C ATOM 1367 CG ARG A 83 15.743 0.698 -5.865 1.00 0.00 C ATOM 1368 CD ARG A 83 16.954 -0.206 -5.860 1.00 0.00 C ATOM 1369 NE ARG A 83 16.825 -1.265 -4.869 1.00 0.00 N ATOM 1370 CZ ARG A 83 17.512 -2.400 -4.847 1.00 0.00 C ATOM 1371 NH1 ARG A 83 18.473 -2.627 -5.744 1.00 0.00 N ATOM 1372 NH2 ARG A 83 17.253 -3.293 -3.905 1.00 0.00 N ATOM 0 H ARG A 83 15.279 4.147 -6.460 1.00 0.00 H new ATOM 0 HA ARG A 83 17.584 2.540 -5.899 1.00 0.00 H new ATOM 0 HB2 ARG A 83 14.871 2.264 -7.010 1.00 0.00 H new ATOM 0 HB3 ARG A 83 16.047 1.300 -7.882 1.00 0.00 H new ATOM 0 HG2 ARG A 83 15.633 1.161 -4.885 1.00 0.00 H new ATOM 0 HG3 ARG A 83 14.847 0.102 -6.039 1.00 0.00 H new ATOM 0 HD2 ARG A 83 17.085 -0.646 -6.849 1.00 0.00 H new ATOM 0 HD3 ARG A 83 17.848 0.382 -5.651 1.00 0.00 H new ATOM 0 HE ARG A 83 16.144 -1.121 -4.123 1.00 0.00 H new ATOM 0 HH11 ARG A 83 18.684 -1.925 -6.454 1.00 0.00 H new ATOM 0 HH12 ARG A 83 18.996 -3.502 -5.720 1.00 0.00 H new ATOM 0 HH21 ARG A 83 16.533 -3.104 -3.208 1.00 0.00 H new ATOM 0 HH22 ARG A 83 17.774 -4.170 -3.876 1.00 0.00 H new ATOM 1386 N ARG A 84 17.142 3.736 -8.932 1.00 0.00 N ATOM 1387 CA ARG A 84 17.792 3.847 -10.215 1.00 0.00 C ATOM 1388 C ARG A 84 18.699 5.068 -10.322 1.00 0.00 C ATOM 1389 O ARG A 84 19.902 4.920 -10.542 1.00 0.00 O ATOM 1390 CB ARG A 84 16.761 3.863 -11.357 1.00 0.00 C ATOM 1391 CG ARG A 84 17.387 3.798 -12.747 1.00 0.00 C ATOM 1392 CD ARG A 84 18.102 2.475 -12.933 1.00 0.00 C ATOM 1393 NE ARG A 84 18.800 2.360 -14.211 1.00 0.00 N ATOM 1394 CZ ARG A 84 19.297 1.210 -14.689 1.00 0.00 C ATOM 1395 NH1 ARG A 84 18.969 0.051 -14.117 1.00 0.00 N ATOM 1396 NH2 ARG A 84 20.072 1.212 -15.771 1.00 0.00 N ATOM 0 H ARG A 84 16.242 4.210 -8.859 1.00 0.00 H new ATOM 0 HA ARG A 84 18.424 2.964 -10.308 1.00 0.00 H new ATOM 0 HB2 ARG A 84 16.082 3.019 -11.234 1.00 0.00 H new ATOM 0 HB3 ARG A 84 16.160 4.769 -11.280 1.00 0.00 H new ATOM 0 HG2 ARG A 84 16.615 3.914 -13.508 1.00 0.00 H new ATOM 0 HG3 ARG A 84 18.089 4.622 -12.877 1.00 0.00 H new ATOM 0 HD2 ARG A 84 18.820 2.343 -12.124 1.00 0.00 H new ATOM 0 HD3 ARG A 84 17.377 1.665 -12.851 1.00 0.00 H new ATOM 0 HE ARG A 84 18.916 3.204 -14.772 1.00 0.00 H new ATOM 0 HH11 ARG A 84 18.339 0.038 -13.315 1.00 0.00 H new ATOM 0 HH12 ARG A 84 19.348 -0.823 -14.482 1.00 0.00 H new ATOM 0 HH21 ARG A 84 20.290 2.091 -16.240 1.00 0.00 H new ATOM 0 HH22 ARG A 84 20.448 0.335 -16.131 1.00 0.00 H new ATOM 1410 N SER A 85 18.149 6.251 -10.133 1.00 0.00 N ATOM 1411 CA SER A 85 18.911 7.458 -10.361 1.00 0.00 C ATOM 1412 C SER A 85 18.243 8.694 -9.763 1.00 0.00 C ATOM 1413 O SER A 85 17.302 9.236 -10.346 1.00 0.00 O ATOM 1414 CB SER A 85 19.107 7.647 -11.884 1.00 0.00 C ATOM 1415 OG SER A 85 17.850 7.564 -12.574 1.00 0.00 O ATOM 0 H SER A 85 17.188 6.400 -9.826 1.00 0.00 H new ATOM 0 HA SER A 85 19.873 7.347 -9.861 1.00 0.00 H new ATOM 0 HB2 SER A 85 19.571 8.614 -12.078 1.00 0.00 H new ATOM 0 HB3 SER A 85 19.787 6.885 -12.265 1.00 0.00 H new ATOM 0 HG SER A 85 17.174 8.078 -12.085 1.00 0.00 H new ATOM 1421 N ARG A 86 18.664 9.091 -8.582 1.00 0.00 N ATOM 1422 CA ARG A 86 18.198 10.349 -8.037 1.00 0.00 C ATOM 1423 C ARG A 86 19.400 11.203 -7.634 1.00 0.00 C ATOM 1424 O ARG A 86 19.347 12.436 -7.670 1.00 0.00 O ATOM 1425 CB ARG A 86 17.200 10.174 -6.863 1.00 0.00 C ATOM 1426 CG ARG A 86 17.821 9.856 -5.513 1.00 0.00 C ATOM 1427 CD ARG A 86 16.772 9.681 -4.411 1.00 0.00 C ATOM 1428 NE ARG A 86 15.657 10.636 -4.487 1.00 0.00 N ATOM 1429 CZ ARG A 86 14.781 10.872 -3.504 1.00 0.00 C ATOM 1430 NH1 ARG A 86 15.049 10.516 -2.256 1.00 0.00 N ATOM 1431 NH2 ARG A 86 13.669 11.518 -3.773 1.00 0.00 N ATOM 0 H ARG A 86 19.315 8.574 -7.990 1.00 0.00 H new ATOM 0 HA ARG A 86 17.635 10.861 -8.817 1.00 0.00 H new ATOM 0 HB2 ARG A 86 16.616 11.089 -6.767 1.00 0.00 H new ATOM 0 HB3 ARG A 86 16.503 9.376 -7.119 1.00 0.00 H new ATOM 0 HG2 ARG A 86 18.413 8.944 -5.595 1.00 0.00 H new ATOM 0 HG3 ARG A 86 18.506 10.657 -5.234 1.00 0.00 H new ATOM 0 HD2 ARG A 86 16.373 8.668 -4.462 1.00 0.00 H new ATOM 0 HD3 ARG A 86 17.259 9.784 -3.441 1.00 0.00 H new ATOM 0 HE ARG A 86 15.543 11.159 -5.355 1.00 0.00 H new ATOM 0 HH11 ARG A 86 15.932 10.056 -2.035 1.00 0.00 H new ATOM 0 HH12 ARG A 86 14.372 10.702 -1.516 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.480 11.834 -4.724 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.994 11.703 -3.031 1.00 0.00 H new ATOM 1445 N LEU A 87 20.487 10.545 -7.236 1.00 0.00 N ATOM 1446 CA LEU A 87 21.733 11.249 -6.906 1.00 0.00 C ATOM 1447 C LEU A 87 22.480 11.599 -8.190 1.00 0.00 C ATOM 1448 O LEU A 87 22.404 10.844 -9.184 1.00 0.00 O ATOM 1449 CB LEU A 87 22.678 10.420 -5.981 1.00 0.00 C ATOM 1450 CG LEU A 87 22.209 10.074 -4.545 1.00 0.00 C ATOM 1451 CD1 LEU A 87 21.694 11.292 -3.803 1.00 0.00 C ATOM 1452 CD2 LEU A 87 21.202 8.938 -4.520 1.00 0.00 C ATOM 0 H LEU A 87 20.535 9.531 -7.133 1.00 0.00 H new ATOM 0 HA LEU A 87 21.449 12.149 -6.361 1.00 0.00 H new ATOM 0 HB2 LEU A 87 22.897 9.482 -6.491 1.00 0.00 H new ATOM 0 HB3 LEU A 87 23.618 10.965 -5.898 1.00 0.00 H new ATOM 0 HG LEU A 87 23.093 9.723 -4.014 1.00 0.00 H new ATOM 0 HD11 LEU A 87 21.377 11.001 -2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 87 22.487 12.036 -3.730 1.00 0.00 H new ATOM 0 HD13 LEU A 87 20.847 11.716 -4.343 1.00 0.00 H new ATOM 0 HD21 LEU A 87 20.907 8.736 -3.490 1.00 0.00 H new ATOM 0 HD22 LEU A 87 20.323 9.218 -5.101 1.00 0.00 H new ATOM 0 HD23 LEU A 87 21.652 8.043 -4.950 1.00 0.00 H new TER 1464 LEU A 87 ATOM 1465 N GLY B 101 10.637 10.962 20.844 1.00 0.00 N ATOM 1466 CA GLY B 101 11.906 10.743 21.520 1.00 0.00 C ATOM 1467 C GLY B 101 13.037 10.771 20.537 1.00 0.00 C ATOM 1468 O GLY B 101 14.212 10.617 20.902 1.00 0.00 O ATOM 0 HA2 GLY B 101 12.057 11.510 22.279 1.00 0.00 H new ATOM 0 HA3 GLY B 101 11.889 9.783 22.036 1.00 0.00 H new ATOM 1472 N SER B 102 12.655 10.936 19.275 1.00 0.00 N ATOM 1473 CA SER B 102 13.569 11.035 18.139 1.00 0.00 C ATOM 1474 C SER B 102 14.407 9.762 17.940 1.00 0.00 C ATOM 1475 O SER B 102 15.482 9.798 17.330 1.00 0.00 O ATOM 1476 CB SER B 102 14.460 12.278 18.282 1.00 0.00 C ATOM 1477 OG SER B 102 13.661 13.459 18.345 1.00 0.00 O ATOM 0 H SER B 102 11.674 11.007 19.005 1.00 0.00 H new ATOM 0 HA SER B 102 12.962 11.140 17.240 1.00 0.00 H new ATOM 0 HB2 SER B 102 15.069 12.195 19.182 1.00 0.00 H new ATOM 0 HB3 SER B 102 15.146 12.340 17.437 1.00 0.00 H new ATOM 0 HG SER B 102 14.242 14.243 18.438 1.00 0.00 H new ATOM 1483 N MET B 103 13.890 8.629 18.406 1.00 0.00 N ATOM 1484 CA MET B 103 14.578 7.359 18.221 1.00 0.00 C ATOM 1485 C MET B 103 14.378 6.910 16.780 1.00 0.00 C ATOM 1486 O MET B 103 15.244 6.254 16.174 1.00 0.00 O ATOM 1487 CB MET B 103 14.046 6.296 19.192 1.00 0.00 C ATOM 1488 CG MET B 103 14.730 4.941 19.047 1.00 0.00 C ATOM 1489 SD MET B 103 14.098 3.698 20.186 1.00 0.00 S ATOM 1490 CE MET B 103 15.104 2.286 19.716 1.00 0.00 C ATOM 0 H MET B 103 13.005 8.565 18.910 1.00 0.00 H new ATOM 0 HA MET B 103 15.640 7.488 18.430 1.00 0.00 H new ATOM 0 HB2 MET B 103 14.176 6.652 20.214 1.00 0.00 H new ATOM 0 HB3 MET B 103 12.975 6.172 19.031 1.00 0.00 H new ATOM 0 HG2 MET B 103 14.603 4.585 18.025 1.00 0.00 H new ATOM 0 HG3 MET B 103 15.801 5.063 19.211 1.00 0.00 H new ATOM 0 HE1 MET B 103 14.835 1.427 20.331 1.00 0.00 H new ATOM 0 HE2 MET B 103 14.931 2.049 18.666 1.00 0.00 H new ATOM 0 HE3 MET B 103 16.157 2.524 19.865 1.00 0.00 H new ATOM 1500 N SER B 104 13.254 7.289 16.241 1.00 0.00 N ATOM 1501 CA SER B 104 12.934 7.058 14.875 1.00 0.00 C ATOM 1502 C SER B 104 12.934 8.401 14.185 1.00 0.00 C ATOM 1503 O SER B 104 12.449 9.393 14.748 1.00 0.00 O ATOM 1504 CB SER B 104 11.562 6.390 14.755 1.00 0.00 C ATOM 1505 OG SER B 104 11.520 5.172 15.508 1.00 0.00 O ATOM 0 H SER B 104 12.523 7.778 16.758 1.00 0.00 H new ATOM 0 HA SER B 104 13.662 6.391 14.414 1.00 0.00 H new ATOM 0 HB2 SER B 104 10.789 7.070 15.113 1.00 0.00 H new ATOM 0 HB3 SER B 104 11.344 6.182 13.707 1.00 0.00 H new ATOM 0 HG SER B 104 10.634 4.763 15.419 1.00 0.00 H new ATOM 1511 N HIS B 105 13.514 8.461 13.028 1.00 0.00 N ATOM 1512 CA HIS B 105 13.570 9.694 12.294 1.00 0.00 C ATOM 1513 C HIS B 105 12.322 9.847 11.462 1.00 0.00 C ATOM 1514 O HIS B 105 12.029 9.020 10.609 1.00 0.00 O ATOM 1515 CB HIS B 105 14.821 9.767 11.414 1.00 0.00 C ATOM 1516 CG HIS B 105 16.114 9.737 12.176 1.00 0.00 C ATOM 1517 ND1 HIS B 105 16.892 8.610 12.320 1.00 0.00 N ATOM 1518 CD2 HIS B 105 16.779 10.733 12.812 1.00 0.00 C ATOM 1519 CE1 HIS B 105 17.979 8.940 13.015 1.00 0.00 C ATOM 1520 NE2 HIS B 105 17.966 10.225 13.341 1.00 0.00 N ATOM 0 H HIS B 105 13.959 7.668 12.566 1.00 0.00 H new ATOM 0 HA HIS B 105 13.628 10.516 13.007 1.00 0.00 H new ATOM 0 HB2 HIS B 105 14.807 8.933 10.712 1.00 0.00 H new ATOM 0 HB3 HIS B 105 14.782 10.682 10.823 1.00 0.00 H new ATOM 0 HD2 HIS B 105 16.443 11.756 12.896 1.00 0.00 H new ATOM 0 HE1 HIS B 105 18.768 8.251 13.279 1.00 0.00 H new ATOM 0 HE2 HIS B 105 18.675 10.735 13.868 1.00 0.00 H new ATOM 1528 N TYR B 106 11.593 10.894 11.738 1.00 0.00 N ATOM 1529 CA TYR B 106 10.358 11.201 11.053 1.00 0.00 C ATOM 1530 C TYR B 106 10.612 12.136 9.885 1.00 0.00 C ATOM 1531 O TYR B 106 9.729 12.347 9.036 1.00 0.00 O ATOM 1532 CB TYR B 106 9.303 11.769 12.032 1.00 0.00 C ATOM 1533 CG TYR B 106 9.812 12.861 12.961 1.00 0.00 C ATOM 1534 CD1 TYR B 106 9.844 14.193 12.567 1.00 0.00 C ATOM 1535 CD2 TYR B 106 10.256 12.547 14.240 1.00 0.00 C ATOM 1536 CE1 TYR B 106 10.309 15.177 13.421 1.00 0.00 C ATOM 1537 CE2 TYR B 106 10.720 13.521 15.096 1.00 0.00 C ATOM 1538 CZ TYR B 106 10.745 14.834 14.684 1.00 0.00 C ATOM 1539 OH TYR B 106 11.212 15.811 15.542 1.00 0.00 O ATOM 0 H TYR B 106 11.842 11.573 12.458 1.00 0.00 H new ATOM 0 HA TYR B 106 9.949 10.275 10.648 1.00 0.00 H new ATOM 0 HB2 TYR B 106 8.468 12.165 11.454 1.00 0.00 H new ATOM 0 HB3 TYR B 106 8.912 10.951 12.637 1.00 0.00 H new ATOM 0 HD1 TYR B 106 9.501 14.464 11.580 1.00 0.00 H new ATOM 0 HD2 TYR B 106 10.237 11.519 14.569 1.00 0.00 H new ATOM 0 HE1 TYR B 106 10.331 16.208 13.101 1.00 0.00 H new ATOM 0 HE2 TYR B 106 11.062 13.256 16.085 1.00 0.00 H new ATOM 0 HH TYR B 106 11.479 15.401 16.391 1.00 0.00 H new ATOM 1549 N GLY B 107 11.822 12.689 9.850 1.00 0.00 N ATOM 1550 CA GLY B 107 12.246 13.542 8.762 1.00 0.00 C ATOM 1551 C GLY B 107 12.475 12.727 7.528 1.00 0.00 C ATOM 1552 O GLY B 107 13.517 12.072 7.395 1.00 0.00 O ATOM 0 H GLY B 107 12.527 12.555 10.575 1.00 0.00 H new ATOM 0 HA2 GLY B 107 11.489 14.302 8.570 1.00 0.00 H new ATOM 0 HA3 GLY B 107 13.162 14.066 9.036 1.00 0.00 H new ATOM 1556 N ASN B 108 11.479 12.734 6.641 1.00 0.00 N ATOM 1557 CA ASN B 108 11.480 11.908 5.440 1.00 0.00 C ATOM 1558 C ASN B 108 11.588 10.457 5.808 1.00 0.00 C ATOM 1559 O ASN B 108 12.380 9.690 5.221 1.00 0.00 O ATOM 1560 CB ASN B 108 12.535 12.323 4.385 1.00 0.00 C ATOM 1561 CG ASN B 108 12.073 13.484 3.509 1.00 0.00 C ATOM 1562 OD1 ASN B 108 10.876 13.653 3.250 1.00 0.00 O ATOM 1563 ND2 ASN B 108 13.000 14.270 3.029 1.00 0.00 N ATOM 0 H ASN B 108 10.647 13.316 6.739 1.00 0.00 H new ATOM 0 HA ASN B 108 10.523 12.076 4.947 1.00 0.00 H new ATOM 0 HB2 ASN B 108 13.459 12.602 4.892 1.00 0.00 H new ATOM 0 HB3 ASN B 108 12.765 11.466 3.752 1.00 0.00 H new ATOM 0 HD21 ASN B 108 12.744 15.049 2.422 1.00 0.00 H new ATOM 0 HD22 ASN B 108 13.979 14.105 3.261 1.00 0.00 H new ATOM 1570 N GLN B 109 10.760 10.063 6.790 1.00 0.00 N ATOM 1571 CA GLN B 109 10.698 8.683 7.246 1.00 0.00 C ATOM 1572 C GLN B 109 10.322 7.768 6.111 1.00 0.00 C ATOM 1573 O GLN B 109 10.776 6.646 6.034 1.00 0.00 O ATOM 1574 CB GLN B 109 9.772 8.491 8.486 1.00 0.00 C ATOM 1575 CG GLN B 109 8.378 9.147 8.447 1.00 0.00 C ATOM 1576 CD GLN B 109 7.380 8.525 7.472 1.00 0.00 C ATOM 1577 OE1 GLN B 109 7.409 7.332 7.195 1.00 0.00 O ATOM 1578 NE2 GLN B 109 6.486 9.332 6.968 1.00 0.00 N ATOM 0 H GLN B 109 10.124 10.693 7.280 1.00 0.00 H new ATOM 0 HA GLN B 109 11.697 8.411 7.586 1.00 0.00 H new ATOM 0 HB2 GLN B 109 9.635 7.421 8.640 1.00 0.00 H new ATOM 0 HB3 GLN B 109 10.299 8.874 9.360 1.00 0.00 H new ATOM 0 HG2 GLN B 109 7.951 9.109 9.449 1.00 0.00 H new ATOM 0 HG3 GLN B 109 8.499 10.200 8.192 1.00 0.00 H new ATOM 0 HE21 GLN B 109 6.491 10.320 7.220 1.00 0.00 H new ATOM 0 HE22 GLN B 109 5.783 8.974 6.322 1.00 0.00 H new ATOM 1587 N THR B 110 9.564 8.322 5.197 1.00 0.00 N ATOM 1588 CA THR B 110 9.068 7.665 4.041 1.00 0.00 C ATOM 1589 C THR B 110 10.224 7.050 3.221 1.00 0.00 C ATOM 1590 O THR B 110 10.248 5.842 2.963 1.00 0.00 O ATOM 1591 CB THR B 110 8.367 8.731 3.200 1.00 0.00 C ATOM 1592 OG1 THR B 110 7.620 9.598 4.087 1.00 0.00 O ATOM 1593 CG2 THR B 110 7.425 8.096 2.224 1.00 0.00 C ATOM 0 H THR B 110 9.268 9.296 5.255 1.00 0.00 H new ATOM 0 HA THR B 110 8.392 6.858 4.323 1.00 0.00 H new ATOM 0 HB THR B 110 9.113 9.299 2.644 1.00 0.00 H new ATOM 0 HG1 THR B 110 7.165 10.289 3.562 1.00 0.00 H new ATOM 0 HG21 THR B 110 6.935 8.871 1.634 1.00 0.00 H new ATOM 0 HG22 THR B 110 7.980 7.432 1.561 1.00 0.00 H new ATOM 0 HG23 THR B 110 6.673 7.522 2.765 1.00 0.00 H new ATOM 1601 N LEU B 111 11.208 7.873 2.895 1.00 0.00 N ATOM 1602 CA LEU B 111 12.311 7.448 2.058 1.00 0.00 C ATOM 1603 C LEU B 111 13.184 6.428 2.794 1.00 0.00 C ATOM 1604 O LEU B 111 13.511 5.371 2.247 1.00 0.00 O ATOM 1605 CB LEU B 111 13.124 8.696 1.587 1.00 0.00 C ATOM 1606 CG LEU B 111 14.243 8.508 0.514 1.00 0.00 C ATOM 1607 CD1 LEU B 111 15.473 7.796 1.052 1.00 0.00 C ATOM 1608 CD2 LEU B 111 13.705 7.782 -0.707 1.00 0.00 C ATOM 0 H LEU B 111 11.262 8.844 3.201 1.00 0.00 H new ATOM 0 HA LEU B 111 11.925 6.948 1.170 1.00 0.00 H new ATOM 0 HB2 LEU B 111 12.413 9.424 1.197 1.00 0.00 H new ATOM 0 HB3 LEU B 111 13.585 9.141 2.469 1.00 0.00 H new ATOM 0 HG LEU B 111 14.560 9.510 0.226 1.00 0.00 H new ATOM 0 HD11 LEU B 111 16.213 7.697 0.257 1.00 0.00 H new ATOM 0 HD12 LEU B 111 15.898 8.374 1.873 1.00 0.00 H new ATOM 0 HD13 LEU B 111 15.192 6.806 1.412 1.00 0.00 H new ATOM 0 HD21 LEU B 111 14.503 7.663 -1.440 1.00 0.00 H new ATOM 0 HD22 LEU B 111 13.333 6.801 -0.412 1.00 0.00 H new ATOM 0 HD23 LEU B 111 12.892 8.361 -1.146 1.00 0.00 H new ATOM 1620 N GLN B 112 13.523 6.727 4.033 1.00 0.00 N ATOM 1621 CA GLN B 112 14.414 5.871 4.804 1.00 0.00 C ATOM 1622 C GLN B 112 13.776 4.517 5.154 1.00 0.00 C ATOM 1623 O GLN B 112 14.432 3.466 5.018 1.00 0.00 O ATOM 1624 CB GLN B 112 14.946 6.592 6.050 1.00 0.00 C ATOM 1625 CG GLN B 112 13.869 7.079 6.994 1.00 0.00 C ATOM 1626 CD GLN B 112 14.423 7.817 8.178 1.00 0.00 C ATOM 1627 OE1 GLN B 112 14.728 7.216 9.208 1.00 0.00 O ATOM 1628 NE2 GLN B 112 14.543 9.108 8.060 1.00 0.00 N ATOM 0 H GLN B 112 13.197 7.556 4.530 1.00 0.00 H new ATOM 0 HA GLN B 112 15.268 5.649 4.164 1.00 0.00 H new ATOM 0 HB2 GLN B 112 15.609 5.917 6.591 1.00 0.00 H new ATOM 0 HB3 GLN B 112 15.548 7.444 5.733 1.00 0.00 H new ATOM 0 HG2 GLN B 112 13.185 7.732 6.452 1.00 0.00 H new ATOM 0 HG3 GLN B 112 13.286 6.227 7.343 1.00 0.00 H new ATOM 0 HE21 GLN B 112 14.279 9.567 7.188 1.00 0.00 H new ATOM 0 HE22 GLN B 112 14.901 9.660 8.839 1.00 0.00 H new ATOM 1637 N ASP B 113 12.501 4.537 5.549 1.00 0.00 N ATOM 1638 CA ASP B 113 11.761 3.319 5.930 1.00 0.00 C ATOM 1639 C ASP B 113 11.610 2.425 4.716 1.00 0.00 C ATOM 1640 O ASP B 113 11.816 1.200 4.786 1.00 0.00 O ATOM 1641 CB ASP B 113 10.370 3.687 6.506 1.00 0.00 C ATOM 1642 CG ASP B 113 9.571 2.508 7.039 1.00 0.00 C ATOM 1643 OD1 ASP B 113 8.873 1.843 6.266 1.00 0.00 O ATOM 1644 OD2 ASP B 113 9.612 2.248 8.282 1.00 0.00 O ATOM 0 H ASP B 113 11.949 5.392 5.616 1.00 0.00 H new ATOM 0 HA ASP B 113 12.317 2.788 6.702 1.00 0.00 H new ATOM 0 HB2 ASP B 113 10.505 4.410 7.310 1.00 0.00 H new ATOM 0 HB3 ASP B 113 9.788 4.180 5.727 1.00 0.00 H new ATOM 1649 N LEU B 114 11.326 3.046 3.590 1.00 0.00 N ATOM 1650 CA LEU B 114 11.168 2.330 2.350 1.00 0.00 C ATOM 1651 C LEU B 114 12.510 1.845 1.801 1.00 0.00 C ATOM 1652 O LEU B 114 12.565 0.854 1.113 1.00 0.00 O ATOM 1653 CB LEU B 114 10.446 3.193 1.326 1.00 0.00 C ATOM 1654 CG LEU B 114 10.200 2.580 -0.053 1.00 0.00 C ATOM 1655 CD1 LEU B 114 9.373 1.295 0.042 1.00 0.00 C ATOM 1656 CD2 LEU B 114 9.520 3.600 -0.934 1.00 0.00 C ATOM 0 H LEU B 114 11.200 4.055 3.513 1.00 0.00 H new ATOM 0 HA LEU B 114 10.562 1.447 2.553 1.00 0.00 H new ATOM 0 HB2 LEU B 114 9.482 3.480 1.745 1.00 0.00 H new ATOM 0 HB3 LEU B 114 11.020 4.110 1.191 1.00 0.00 H new ATOM 0 HG LEU B 114 11.159 2.306 -0.493 1.00 0.00 H new ATOM 0 HD11 LEU B 114 9.218 0.887 -0.957 1.00 0.00 H new ATOM 0 HD12 LEU B 114 9.904 0.565 0.653 1.00 0.00 H new ATOM 0 HD13 LEU B 114 8.408 1.516 0.497 1.00 0.00 H new ATOM 0 HD21 LEU B 114 9.342 3.169 -1.919 1.00 0.00 H new ATOM 0 HD22 LEU B 114 8.569 3.890 -0.487 1.00 0.00 H new ATOM 0 HD23 LEU B 114 10.158 4.479 -1.032 1.00 0.00 H new ATOM 1668 N LEU B 115 13.594 2.546 2.086 1.00 0.00 N ATOM 1669 CA LEU B 115 14.895 2.095 1.613 1.00 0.00 C ATOM 1670 C LEU B 115 15.336 0.854 2.373 1.00 0.00 C ATOM 1671 O LEU B 115 15.894 -0.074 1.788 1.00 0.00 O ATOM 1672 CB LEU B 115 15.969 3.190 1.685 1.00 0.00 C ATOM 1673 CG LEU B 115 17.369 2.786 1.167 1.00 0.00 C ATOM 1674 CD1 LEU B 115 17.346 2.428 -0.318 1.00 0.00 C ATOM 1675 CD2 LEU B 115 18.366 3.892 1.422 1.00 0.00 C ATOM 0 H LEU B 115 13.604 3.409 2.629 1.00 0.00 H new ATOM 0 HA LEU B 115 14.779 1.845 0.558 1.00 0.00 H new ATOM 0 HB2 LEU B 115 15.624 4.051 1.113 1.00 0.00 H new ATOM 0 HB3 LEU B 115 16.064 3.514 2.722 1.00 0.00 H new ATOM 0 HG LEU B 115 17.674 1.896 1.716 1.00 0.00 H new ATOM 0 HD11 LEU B 115 18.349 2.150 -0.641 1.00 0.00 H new ATOM 0 HD12 LEU B 115 16.668 1.590 -0.480 1.00 0.00 H new ATOM 0 HD13 LEU B 115 17.004 3.288 -0.894 1.00 0.00 H new ATOM 0 HD21 LEU B 115 19.346 3.591 1.051 1.00 0.00 H new ATOM 0 HD22 LEU B 115 18.045 4.797 0.906 1.00 0.00 H new ATOM 0 HD23 LEU B 115 18.427 4.087 2.493 1.00 0.00 H new ATOM 1687 N THR B 116 15.057 0.816 3.655 1.00 0.00 N ATOM 1688 CA THR B 116 15.409 -0.340 4.428 1.00 0.00 C ATOM 1689 C THR B 116 14.520 -1.547 4.081 1.00 0.00 C ATOM 1690 O THR B 116 15.015 -2.669 4.014 1.00 0.00 O ATOM 1691 CB THR B 116 15.521 -0.070 5.967 1.00 0.00 C ATOM 1692 OG1 THR B 116 15.705 -1.286 6.700 1.00 0.00 O ATOM 1693 CG2 THR B 116 14.333 0.668 6.513 1.00 0.00 C ATOM 0 H THR B 116 14.594 1.562 4.174 1.00 0.00 H new ATOM 0 HA THR B 116 16.425 -0.602 4.133 1.00 0.00 H new ATOM 0 HB THR B 116 16.399 0.564 6.095 1.00 0.00 H new ATOM 0 HG1 THR B 116 15.773 -1.084 7.657 1.00 0.00 H new ATOM 0 HG21 THR B 116 14.464 0.828 7.583 1.00 0.00 H new ATOM 0 HG22 THR B 116 14.241 1.631 6.011 1.00 0.00 H new ATOM 0 HG23 THR B 116 13.430 0.082 6.342 1.00 0.00 H new ATOM 1701 N SER B 117 13.238 -1.325 3.788 1.00 0.00 N ATOM 1702 CA SER B 117 12.385 -2.425 3.369 1.00 0.00 C ATOM 1703 C SER B 117 12.799 -2.903 1.966 1.00 0.00 C ATOM 1704 O SER B 117 12.761 -4.084 1.655 1.00 0.00 O ATOM 1705 CB SER B 117 10.919 -2.005 3.424 1.00 0.00 C ATOM 1706 OG SER B 117 10.710 -0.783 2.759 1.00 0.00 O ATOM 0 H SER B 117 12.781 -0.414 3.833 1.00 0.00 H new ATOM 0 HA SER B 117 12.507 -3.265 4.053 1.00 0.00 H new ATOM 0 HB2 SER B 117 10.300 -2.779 2.970 1.00 0.00 H new ATOM 0 HB3 SER B 117 10.604 -1.914 4.463 1.00 0.00 H new ATOM 0 HG SER B 117 9.871 -0.824 2.255 1.00 0.00 H new ATOM 1712 N ASP B 118 13.249 -1.955 1.169 1.00 0.00 N ATOM 1713 CA ASP B 118 13.770 -2.181 -0.184 1.00 0.00 C ATOM 1714 C ASP B 118 15.028 -3.064 -0.122 1.00 0.00 C ATOM 1715 O ASP B 118 15.258 -3.928 -0.975 1.00 0.00 O ATOM 1716 CB ASP B 118 14.137 -0.822 -0.758 1.00 0.00 C ATOM 1717 CG ASP B 118 14.513 -0.805 -2.196 1.00 0.00 C ATOM 1718 OD1 ASP B 118 15.597 -1.271 -2.542 1.00 0.00 O ATOM 1719 OD2 ASP B 118 13.756 -0.215 -2.983 1.00 0.00 O ATOM 0 H ASP B 118 13.267 -0.973 1.444 1.00 0.00 H new ATOM 0 HA ASP B 118 13.025 -2.682 -0.802 1.00 0.00 H new ATOM 0 HB2 ASP B 118 13.292 -0.149 -0.615 1.00 0.00 H new ATOM 0 HB3 ASP B 118 14.968 -0.417 -0.180 1.00 0.00 H new ATOM 1724 N SER B 119 15.820 -2.853 0.927 1.00 0.00 N ATOM 1725 CA SER B 119 17.056 -3.596 1.143 1.00 0.00 C ATOM 1726 C SER B 119 16.781 -5.096 1.413 1.00 0.00 C ATOM 1727 O SER B 119 17.657 -5.934 1.224 1.00 0.00 O ATOM 1728 CB SER B 119 17.837 -2.984 2.320 1.00 0.00 C ATOM 1729 OG SER B 119 18.093 -1.591 2.111 1.00 0.00 O ATOM 0 H SER B 119 15.622 -2.162 1.650 1.00 0.00 H new ATOM 0 HA SER B 119 17.652 -3.525 0.233 1.00 0.00 H new ATOM 0 HB2 SER B 119 17.271 -3.117 3.242 1.00 0.00 H new ATOM 0 HB3 SER B 119 18.781 -3.514 2.446 1.00 0.00 H new ATOM 0 HG SER B 119 17.251 -1.093 2.161 1.00 0.00 H new ATOM 1735 N LEU B 120 15.556 -5.417 1.824 1.00 0.00 N ATOM 1736 CA LEU B 120 15.158 -6.773 2.138 1.00 0.00 C ATOM 1737 C LEU B 120 15.053 -7.609 0.858 1.00 0.00 C ATOM 1738 O LEU B 120 15.332 -8.814 0.857 1.00 0.00 O ATOM 1739 CB LEU B 120 13.811 -6.713 2.924 1.00 0.00 C ATOM 1740 CG LEU B 120 13.155 -8.025 3.369 1.00 0.00 C ATOM 1741 CD1 LEU B 120 12.188 -7.748 4.516 1.00 0.00 C ATOM 1742 CD2 LEU B 120 12.376 -8.675 2.226 1.00 0.00 C ATOM 0 H LEU B 120 14.811 -4.732 1.947 1.00 0.00 H new ATOM 0 HA LEU B 120 15.906 -7.262 2.763 1.00 0.00 H new ATOM 0 HB2 LEU B 120 13.976 -6.108 3.815 1.00 0.00 H new ATOM 0 HB3 LEU B 120 13.091 -6.178 2.304 1.00 0.00 H new ATOM 0 HG LEU B 120 13.947 -8.703 3.686 1.00 0.00 H new ATOM 0 HD11 LEU B 120 11.722 -8.681 4.832 1.00 0.00 H new ATOM 0 HD12 LEU B 120 12.732 -7.312 5.354 1.00 0.00 H new ATOM 0 HD13 LEU B 120 11.418 -7.052 4.183 1.00 0.00 H new ATOM 0 HD21 LEU B 120 11.924 -9.603 2.576 1.00 0.00 H new ATOM 0 HD22 LEU B 120 11.594 -7.996 1.886 1.00 0.00 H new ATOM 0 HD23 LEU B 120 13.054 -8.890 1.400 1.00 0.00 H new ATOM 1754 N SER B 121 14.652 -6.968 -0.208 1.00 0.00 N ATOM 1755 CA SER B 121 14.471 -7.617 -1.478 1.00 0.00 C ATOM 1756 C SER B 121 15.814 -7.880 -2.161 1.00 0.00 C ATOM 1757 O SER B 121 15.965 -8.864 -2.904 1.00 0.00 O ATOM 1758 CB SER B 121 13.608 -6.719 -2.317 1.00 0.00 C ATOM 1759 OG SER B 121 12.484 -6.317 -1.549 1.00 0.00 O ATOM 0 H SER B 121 14.440 -5.970 -0.218 1.00 0.00 H new ATOM 0 HA SER B 121 13.996 -8.589 -1.343 1.00 0.00 H new ATOM 0 HB2 SER B 121 14.175 -5.846 -2.642 1.00 0.00 H new ATOM 0 HB3 SER B 121 13.283 -7.241 -3.217 1.00 0.00 H new ATOM 0 HG SER B 121 11.782 -5.984 -2.146 1.00 0.00 H new ATOM 1765 N HIS B 122 16.786 -7.001 -1.880 1.00 0.00 N ATOM 1766 CA HIS B 122 18.161 -7.046 -2.426 1.00 0.00 C ATOM 1767 C HIS B 122 18.211 -6.706 -3.920 1.00 0.00 C ATOM 1768 O HIS B 122 18.807 -5.695 -4.315 1.00 0.00 O ATOM 1769 CB HIS B 122 18.887 -8.399 -2.176 1.00 0.00 C ATOM 1770 CG HIS B 122 19.097 -8.778 -0.734 1.00 0.00 C ATOM 1771 ND1 HIS B 122 20.193 -8.401 0.012 1.00 0.00 N ATOM 1772 CD2 HIS B 122 18.346 -9.555 0.079 1.00 0.00 C ATOM 1773 CE1 HIS B 122 20.079 -8.951 1.225 1.00 0.00 C ATOM 1774 NE2 HIS B 122 18.972 -9.666 1.319 1.00 0.00 N ATOM 0 H HIS B 122 16.639 -6.214 -1.248 1.00 0.00 H new ATOM 0 HA HIS B 122 18.697 -6.276 -1.871 1.00 0.00 H new ATOM 0 HB2 HIS B 122 18.315 -9.191 -2.660 1.00 0.00 H new ATOM 0 HB3 HIS B 122 19.859 -8.363 -2.667 1.00 0.00 H new ATOM 0 HD2 HIS B 122 17.408 -10.017 -0.191 1.00 0.00 H new ATOM 0 HE1 HIS B 122 20.797 -8.827 2.022 1.00 0.00 H new ATOM 0 HE2 HIS B 122 18.644 -10.190 2.130 1.00 0.00 H new ATOM 1782 N SER B 123 17.561 -7.513 -4.722 1.00 0.00 N ATOM 1783 CA SER B 123 17.602 -7.425 -6.161 1.00 0.00 C ATOM 1784 C SER B 123 16.792 -6.244 -6.724 1.00 0.00 C ATOM 1785 O SER B 123 16.160 -5.485 -5.986 1.00 0.00 O ATOM 1786 CB SER B 123 17.127 -8.757 -6.730 1.00 0.00 C ATOM 1787 OG SER B 123 15.929 -9.171 -6.089 1.00 0.00 O ATOM 0 H SER B 123 16.971 -8.272 -4.381 1.00 0.00 H new ATOM 0 HA SER B 123 18.629 -7.227 -6.468 1.00 0.00 H new ATOM 0 HB2 SER B 123 16.959 -8.662 -7.803 1.00 0.00 H new ATOM 0 HB3 SER B 123 17.900 -9.514 -6.594 1.00 0.00 H new ATOM 0 HG SER B 123 15.635 -10.027 -6.466 1.00 0.00 H new ATOM 1793 N ASP B 124 16.844 -6.100 -8.027 1.00 0.00 N ATOM 1794 CA ASP B 124 16.168 -5.035 -8.739 1.00 0.00 C ATOM 1795 C ASP B 124 14.981 -5.588 -9.524 1.00 0.00 C ATOM 1796 O ASP B 124 15.156 -6.276 -10.536 1.00 0.00 O ATOM 1797 CB ASP B 124 17.178 -4.333 -9.671 1.00 0.00 C ATOM 1798 CG ASP B 124 16.547 -3.438 -10.714 1.00 0.00 C ATOM 1799 OD1 ASP B 124 16.064 -2.357 -10.379 1.00 0.00 O ATOM 1800 OD2 ASP B 124 16.576 -3.799 -11.920 1.00 0.00 O ATOM 0 H ASP B 124 17.366 -6.730 -8.636 1.00 0.00 H new ATOM 0 HA ASP B 124 15.778 -4.306 -8.028 1.00 0.00 H new ATOM 0 HB2 ASP B 124 17.861 -3.738 -9.065 1.00 0.00 H new ATOM 0 HB3 ASP B 124 17.777 -5.091 -10.175 1.00 0.00 H new ATOM 1805 N GLY B 125 13.791 -5.355 -9.024 1.00 0.00 N ATOM 1806 CA GLY B 125 12.602 -5.807 -9.702 1.00 0.00 C ATOM 1807 C GLY B 125 11.417 -5.853 -8.769 1.00 0.00 C ATOM 1808 O GLY B 125 11.565 -5.608 -7.578 1.00 0.00 O ATOM 0 H GLY B 125 13.621 -4.856 -8.151 1.00 0.00 H new ATOM 0 HA2 GLY B 125 12.383 -5.142 -10.537 1.00 0.00 H new ATOM 0 HA3 GLY B 125 12.775 -6.798 -10.121 1.00 0.00 H new ATOM 1812 N GLY B 126 10.261 -6.149 -9.312 1.00 0.00 N ATOM 1813 CA GLY B 126 9.052 -6.243 -8.536 1.00 0.00 C ATOM 1814 C GLY B 126 8.148 -7.305 -9.106 1.00 0.00 C ATOM 1815 O GLY B 126 7.524 -7.104 -10.156 1.00 0.00 O ATOM 0 H GLY B 126 10.134 -6.332 -10.307 1.00 0.00 H new ATOM 0 HA2 GLY B 126 9.294 -6.479 -7.500 1.00 0.00 H new ATOM 0 HA3 GLY B 126 8.538 -5.282 -8.532 1.00 0.00 H new ATOM 1819 N GLY B 127 8.083 -8.429 -8.438 1.00 0.00 N ATOM 1820 CA GLY B 127 7.322 -9.549 -8.933 1.00 0.00 C ATOM 1821 C GLY B 127 5.888 -9.558 -8.454 1.00 0.00 C ATOM 1822 O GLY B 127 5.602 -9.987 -7.349 1.00 0.00 O ATOM 0 H GLY B 127 8.550 -8.593 -7.546 1.00 0.00 H new ATOM 0 HA2 GLY B 127 7.333 -9.533 -10.023 1.00 0.00 H new ATOM 0 HA3 GLY B 127 7.807 -10.474 -8.622 1.00 0.00 H new ATOM 1826 N SER B 128 4.993 -9.096 -9.281 1.00 0.00 N ATOM 1827 CA SER B 128 3.594 -9.071 -8.946 1.00 0.00 C ATOM 1828 C SER B 128 2.948 -10.391 -9.365 1.00 0.00 C ATOM 1829 O SER B 128 3.470 -11.095 -10.245 1.00 0.00 O ATOM 1830 CB SER B 128 2.896 -7.887 -9.639 1.00 0.00 C ATOM 1831 OG SER B 128 1.545 -7.756 -9.195 1.00 0.00 O ATOM 0 H SER B 128 5.211 -8.726 -10.206 1.00 0.00 H new ATOM 0 HA SER B 128 3.486 -8.945 -7.869 1.00 0.00 H new ATOM 0 HB2 SER B 128 3.441 -6.967 -9.431 1.00 0.00 H new ATOM 0 HB3 SER B 128 2.915 -8.031 -10.719 1.00 0.00 H new ATOM 0 HG SER B 128 1.124 -6.996 -9.648 1.00 0.00 H new ATOM 1837 N GLY B 129 1.847 -10.727 -8.734 1.00 0.00 N ATOM 1838 CA GLY B 129 1.134 -11.938 -9.041 1.00 0.00 C ATOM 1839 C GLY B 129 -0.191 -11.957 -8.331 1.00 0.00 C ATOM 1840 O GLY B 129 -0.582 -12.967 -7.744 1.00 0.00 O ATOM 0 H GLY B 129 1.423 -10.167 -7.994 1.00 0.00 H new ATOM 0 HA2 GLY B 129 0.979 -12.014 -10.117 1.00 0.00 H new ATOM 0 HA3 GLY B 129 1.727 -12.803 -8.743 1.00 0.00 H new ATOM 1844 N GLY B 130 -0.881 -10.842 -8.379 1.00 0.00 N ATOM 1845 CA GLY B 130 -2.133 -10.724 -7.674 1.00 0.00 C ATOM 1846 C GLY B 130 -3.311 -11.033 -8.557 1.00 0.00 C ATOM 1847 O GLY B 130 -3.475 -12.177 -9.023 1.00 0.00 O ATOM 0 H GLY B 130 -0.598 -10.009 -8.896 1.00 0.00 H new ATOM 0 HA2 GLY B 130 -2.133 -11.402 -6.820 1.00 0.00 H new ATOM 0 HA3 GLY B 130 -2.232 -9.713 -7.279 1.00 0.00 H new ATOM 1851 N GLY B 131 -4.113 -10.037 -8.814 1.00 0.00 N ATOM 1852 CA GLY B 131 -5.280 -10.206 -9.629 1.00 0.00 C ATOM 1853 C GLY B 131 -6.259 -9.099 -9.390 1.00 0.00 C ATOM 1854 O GLY B 131 -5.921 -8.115 -8.722 1.00 0.00 O ATOM 0 H GLY B 131 -3.975 -9.089 -8.465 1.00 0.00 H new ATOM 0 HA2 GLY B 131 -4.995 -10.225 -10.681 1.00 0.00 H new ATOM 0 HA3 GLY B 131 -5.748 -11.165 -9.408 1.00 0.00 H new ATOM 1858 N SER B 132 -7.454 -9.245 -9.906 1.00 0.00 N ATOM 1859 CA SER B 132 -8.486 -8.253 -9.751 1.00 0.00 C ATOM 1860 C SER B 132 -9.867 -8.912 -9.799 1.00 0.00 C ATOM 1861 O SER B 132 -10.031 -9.977 -10.421 1.00 0.00 O ATOM 1862 CB SER B 132 -8.332 -7.161 -10.829 1.00 0.00 C ATOM 1863 OG SER B 132 -8.227 -7.723 -12.136 1.00 0.00 O ATOM 0 H SER B 132 -7.739 -10.061 -10.448 1.00 0.00 H new ATOM 0 HA SER B 132 -8.387 -7.775 -8.777 1.00 0.00 H new ATOM 0 HB2 SER B 132 -9.188 -6.487 -10.790 1.00 0.00 H new ATOM 0 HB3 SER B 132 -7.446 -6.563 -10.617 1.00 0.00 H new ATOM 0 HG SER B 132 -8.132 -7.004 -12.795 1.00 0.00 H new ATOM 1869 N GLY B 133 -10.823 -8.327 -9.120 1.00 0.00 N ATOM 1870 CA GLY B 133 -12.166 -8.841 -9.112 1.00 0.00 C ATOM 1871 C GLY B 133 -12.834 -8.571 -7.790 1.00 0.00 C ATOM 1872 O GLY B 133 -12.162 -8.499 -6.763 1.00 0.00 O ATOM 0 H GLY B 133 -10.691 -7.485 -8.560 1.00 0.00 H new ATOM 0 HA2 GLY B 133 -12.741 -8.381 -9.916 1.00 0.00 H new ATOM 0 HA3 GLY B 133 -12.151 -9.914 -9.304 1.00 0.00 H new ATOM 1876 N GLY B 134 -14.120 -8.414 -7.812 1.00 0.00 N ATOM 1877 CA GLY B 134 -14.872 -8.124 -6.622 1.00 0.00 C ATOM 1878 C GLY B 134 -16.243 -7.666 -6.997 1.00 0.00 C ATOM 1879 O GLY B 134 -17.231 -8.335 -6.713 1.00 0.00 O ATOM 0 H GLY B 134 -14.685 -8.483 -8.658 1.00 0.00 H new ATOM 0 HA2 GLY B 134 -14.933 -9.012 -5.993 1.00 0.00 H new ATOM 0 HA3 GLY B 134 -14.367 -7.354 -6.039 1.00 0.00 H new ATOM 1883 N GLY B 135 -16.303 -6.550 -7.673 1.00 0.00 N ATOM 1884 CA GLY B 135 -17.551 -6.039 -8.161 1.00 0.00 C ATOM 1885 C GLY B 135 -17.842 -4.644 -7.669 1.00 0.00 C ATOM 1886 O GLY B 135 -18.983 -4.183 -7.732 1.00 0.00 O ATOM 0 H GLY B 135 -15.492 -5.974 -7.899 1.00 0.00 H new ATOM 0 HA2 GLY B 135 -17.538 -6.040 -9.251 1.00 0.00 H new ATOM 0 HA3 GLY B 135 -18.357 -6.704 -7.852 1.00 0.00 H new ATOM 1890 N SER B 136 -16.837 -3.968 -7.175 1.00 0.00 N ATOM 1891 CA SER B 136 -17.016 -2.643 -6.689 1.00 0.00 C ATOM 1892 C SER B 136 -16.162 -1.634 -7.480 1.00 0.00 C ATOM 1893 O SER B 136 -16.594 -1.122 -8.509 1.00 0.00 O ATOM 1894 CB SER B 136 -16.731 -2.583 -5.193 1.00 0.00 C ATOM 1895 OG SER B 136 -17.537 -3.528 -4.483 1.00 0.00 O ATOM 0 H SER B 136 -15.884 -4.324 -7.103 1.00 0.00 H new ATOM 0 HA SER B 136 -18.057 -2.358 -6.841 1.00 0.00 H new ATOM 0 HB2 SER B 136 -15.676 -2.789 -5.011 1.00 0.00 H new ATOM 0 HB3 SER B 136 -16.929 -1.578 -4.821 1.00 0.00 H new ATOM 0 HG SER B 136 -17.072 -3.807 -3.667 1.00 0.00 H new ATOM 1901 N LEU B 137 -14.949 -1.386 -7.029 1.00 0.00 N ATOM 1902 CA LEU B 137 -14.085 -0.407 -7.683 1.00 0.00 C ATOM 1903 C LEU B 137 -12.977 -1.113 -8.441 1.00 0.00 C ATOM 1904 O LEU B 137 -12.680 -0.791 -9.562 1.00 0.00 O ATOM 1905 CB LEU B 137 -13.488 0.567 -6.659 1.00 0.00 C ATOM 1906 CG LEU B 137 -14.476 1.381 -5.818 1.00 0.00 C ATOM 1907 CD1 LEU B 137 -13.727 2.194 -4.777 1.00 0.00 C ATOM 1908 CD2 LEU B 137 -15.319 2.297 -6.701 1.00 0.00 C ATOM 0 H LEU B 137 -14.535 -1.843 -6.217 1.00 0.00 H new ATOM 0 HA LEU B 137 -14.689 0.166 -8.387 1.00 0.00 H new ATOM 0 HB2 LEU B 137 -12.853 -0.002 -5.980 1.00 0.00 H new ATOM 0 HB3 LEU B 137 -12.841 1.264 -7.191 1.00 0.00 H new ATOM 0 HG LEU B 137 -15.148 0.688 -5.311 1.00 0.00 H new ATOM 0 HD11 LEU B 137 -14.438 2.769 -4.184 1.00 0.00 H new ATOM 0 HD12 LEU B 137 -13.169 1.523 -4.124 1.00 0.00 H new ATOM 0 HD13 LEU B 137 -13.036 2.874 -5.275 1.00 0.00 H new ATOM 0 HD21 LEU B 137 -16.012 2.864 -6.080 1.00 0.00 H new ATOM 0 HD22 LEU B 137 -14.667 2.986 -7.238 1.00 0.00 H new ATOM 0 HD23 LEU B 137 -15.881 1.697 -7.417 1.00 0.00 H new ATOM 1920 N GLU B 138 -12.446 -2.127 -7.800 1.00 0.00 N ATOM 1921 CA GLU B 138 -11.295 -2.939 -8.235 1.00 0.00 C ATOM 1922 C GLU B 138 -11.462 -3.565 -9.641 1.00 0.00 C ATOM 1923 O GLU B 138 -10.481 -3.832 -10.331 1.00 0.00 O ATOM 1924 CB GLU B 138 -11.006 -4.036 -7.164 1.00 0.00 C ATOM 1925 CG GLU B 138 -12.098 -5.118 -6.983 1.00 0.00 C ATOM 1926 CD GLU B 138 -13.502 -4.559 -6.854 1.00 0.00 C ATOM 1927 OE1 GLU B 138 -13.768 -3.757 -5.947 1.00 0.00 O ATOM 1928 OE2 GLU B 138 -14.325 -4.809 -7.759 1.00 0.00 O ATOM 0 H GLU B 138 -12.817 -2.440 -6.903 1.00 0.00 H new ATOM 0 HA GLU B 138 -10.443 -2.265 -8.324 1.00 0.00 H new ATOM 0 HB2 GLU B 138 -10.072 -4.533 -7.426 1.00 0.00 H new ATOM 0 HB3 GLU B 138 -10.848 -3.545 -6.204 1.00 0.00 H new ATOM 0 HG2 GLU B 138 -12.065 -5.799 -7.834 1.00 0.00 H new ATOM 0 HG3 GLU B 138 -11.869 -5.706 -6.095 1.00 0.00 H new ATOM 1935 N CYS B 139 -12.685 -3.790 -10.047 1.00 0.00 N ATOM 1936 CA CYS B 139 -12.983 -4.372 -11.349 1.00 0.00 C ATOM 1937 C CYS B 139 -13.075 -3.303 -12.447 1.00 0.00 C ATOM 1938 O CYS B 139 -13.061 -3.612 -13.640 1.00 0.00 O ATOM 1939 CB CYS B 139 -14.289 -5.136 -11.243 1.00 0.00 C ATOM 1940 SG CYS B 139 -15.582 -4.203 -10.402 1.00 0.00 S ATOM 0 H CYS B 139 -13.512 -3.577 -9.489 1.00 0.00 H new ATOM 0 HA CYS B 139 -12.171 -5.043 -11.630 1.00 0.00 H new ATOM 0 HB2 CYS B 139 -14.631 -5.401 -12.243 1.00 0.00 H new ATOM 0 HB3 CYS B 139 -14.115 -6.070 -10.708 1.00 0.00 H new ATOM 0 HG CYS B 139 -15.328 -4.160 -9.128 1.00 0.00 H new ATOM 1946 N ASP B 140 -13.125 -2.066 -12.039 1.00 0.00 N ATOM 1947 CA ASP B 140 -13.295 -0.926 -12.936 1.00 0.00 C ATOM 1948 C ASP B 140 -12.215 0.072 -12.559 1.00 0.00 C ATOM 1949 O ASP B 140 -12.323 1.282 -12.742 1.00 0.00 O ATOM 1950 CB ASP B 140 -14.691 -0.338 -12.662 1.00 0.00 C ATOM 1951 CG ASP B 140 -15.123 0.730 -13.636 1.00 0.00 C ATOM 1952 OD1 ASP B 140 -15.429 0.394 -14.804 1.00 0.00 O ATOM 1953 OD2 ASP B 140 -15.236 1.908 -13.243 1.00 0.00 O ATOM 0 H ASP B 140 -13.048 -1.802 -11.057 1.00 0.00 H new ATOM 0 HA ASP B 140 -13.215 -1.188 -13.991 1.00 0.00 H new ATOM 0 HB2 ASP B 140 -15.422 -1.146 -12.681 1.00 0.00 H new ATOM 0 HB3 ASP B 140 -14.704 0.080 -11.655 1.00 0.00 H new ATOM 1958 N MET B 141 -11.128 -0.479 -12.118 1.00 0.00 N ATOM 1959 CA MET B 141 -10.100 0.267 -11.446 1.00 0.00 C ATOM 1960 C MET B 141 -8.918 0.601 -12.345 1.00 0.00 C ATOM 1961 O MET B 141 -8.279 1.599 -12.131 1.00 0.00 O ATOM 1962 CB MET B 141 -9.633 -0.577 -10.275 1.00 0.00 C ATOM 1963 CG MET B 141 -8.726 0.099 -9.300 1.00 0.00 C ATOM 1964 SD MET B 141 -8.063 -1.076 -8.097 1.00 0.00 S ATOM 1965 CE MET B 141 -7.108 -0.009 -7.043 1.00 0.00 C ATOM 0 H MET B 141 -10.923 -1.474 -12.214 1.00 0.00 H new ATOM 0 HA MET B 141 -10.512 1.224 -11.126 1.00 0.00 H new ATOM 0 HB2 MET B 141 -10.511 -0.933 -9.737 1.00 0.00 H new ATOM 0 HB3 MET B 141 -9.121 -1.456 -10.668 1.00 0.00 H new ATOM 0 HG2 MET B 141 -7.905 0.577 -9.835 1.00 0.00 H new ATOM 0 HG3 MET B 141 -9.270 0.887 -8.780 1.00 0.00 H new ATOM 0 HE1 MET B 141 -6.330 -0.589 -6.547 1.00 0.00 H new ATOM 0 HE2 MET B 141 -6.648 0.777 -7.642 1.00 0.00 H new ATOM 0 HE3 MET B 141 -7.760 0.440 -6.293 1.00 0.00 H new ATOM 1975 N GLU B 142 -8.694 -0.214 -13.357 1.00 0.00 N ATOM 1976 CA GLU B 142 -7.515 -0.178 -14.270 1.00 0.00 C ATOM 1977 C GLU B 142 -6.939 1.231 -14.586 1.00 0.00 C ATOM 1978 O GLU B 142 -5.758 1.521 -14.279 1.00 0.00 O ATOM 1979 CB GLU B 142 -7.841 -0.924 -15.575 1.00 0.00 C ATOM 1980 CG GLU B 142 -7.897 -2.463 -15.472 1.00 0.00 C ATOM 1981 CD GLU B 142 -8.838 -3.006 -14.413 1.00 0.00 C ATOM 1982 OE1 GLU B 142 -9.934 -2.446 -14.212 1.00 0.00 O ATOM 1983 OE2 GLU B 142 -8.483 -3.992 -13.747 1.00 0.00 O ATOM 0 H GLU B 142 -9.345 -0.962 -13.596 1.00 0.00 H new ATOM 0 HA GLU B 142 -6.720 -0.678 -13.717 1.00 0.00 H new ATOM 0 HB2 GLU B 142 -8.803 -0.568 -15.944 1.00 0.00 H new ATOM 0 HB3 GLU B 142 -7.094 -0.655 -16.322 1.00 0.00 H new ATOM 0 HG2 GLU B 142 -8.195 -2.865 -16.440 1.00 0.00 H new ATOM 0 HG3 GLU B 142 -6.893 -2.834 -15.268 1.00 0.00 H new ATOM 1990 N SER B 143 -7.739 2.093 -15.163 1.00 0.00 N ATOM 1991 CA SER B 143 -7.268 3.410 -15.572 1.00 0.00 C ATOM 1992 C SER B 143 -6.964 4.280 -14.337 1.00 0.00 C ATOM 1993 O SER B 143 -5.934 4.990 -14.272 1.00 0.00 O ATOM 1994 CB SER B 143 -8.349 4.054 -16.429 1.00 0.00 C ATOM 1995 OG SER B 143 -8.817 3.121 -17.396 1.00 0.00 O ATOM 0 H SER B 143 -8.723 1.914 -15.364 1.00 0.00 H new ATOM 0 HA SER B 143 -6.345 3.317 -16.145 1.00 0.00 H new ATOM 0 HB2 SER B 143 -9.175 4.385 -15.800 1.00 0.00 H new ATOM 0 HB3 SER B 143 -7.952 4.939 -16.926 1.00 0.00 H new ATOM 0 HG SER B 143 -9.514 3.539 -17.944 1.00 0.00 H new ATOM 2001 N ILE B 144 -7.811 4.131 -13.335 1.00 0.00 N ATOM 2002 CA ILE B 144 -7.741 4.905 -12.112 1.00 0.00 C ATOM 2003 C ILE B 144 -6.517 4.498 -11.293 1.00 0.00 C ATOM 2004 O ILE B 144 -5.762 5.344 -10.828 1.00 0.00 O ATOM 2005 CB ILE B 144 -9.010 4.685 -11.254 1.00 0.00 C ATOM 2006 CG1 ILE B 144 -10.272 4.975 -12.076 1.00 0.00 C ATOM 2007 CG2 ILE B 144 -8.967 5.574 -10.020 1.00 0.00 C ATOM 2008 CD1 ILE B 144 -11.566 4.669 -11.349 1.00 0.00 C ATOM 0 H ILE B 144 -8.578 3.459 -13.350 1.00 0.00 H new ATOM 0 HA ILE B 144 -7.666 5.957 -12.387 1.00 0.00 H new ATOM 0 HB ILE B 144 -9.039 3.643 -10.936 1.00 0.00 H new ATOM 0 HG12 ILE B 144 -10.270 6.026 -12.366 1.00 0.00 H new ATOM 0 HG13 ILE B 144 -10.237 4.390 -12.995 1.00 0.00 H new ATOM 0 HG21 ILE B 144 -9.864 5.412 -9.423 1.00 0.00 H new ATOM 0 HG22 ILE B 144 -8.087 5.329 -9.426 1.00 0.00 H new ATOM 0 HG23 ILE B 144 -8.919 6.619 -10.326 1.00 0.00 H new ATOM 0 HD11 ILE B 144 -12.411 4.901 -11.997 1.00 0.00 H new ATOM 0 HD12 ILE B 144 -11.592 3.612 -11.082 1.00 0.00 H new ATOM 0 HD13 ILE B 144 -11.627 5.273 -10.444 1.00 0.00 H new ATOM 2020 N ILE B 145 -6.320 3.195 -11.143 1.00 0.00 N ATOM 2021 CA ILE B 145 -5.212 2.676 -10.375 1.00 0.00 C ATOM 2022 C ILE B 145 -3.920 3.068 -11.022 1.00 0.00 C ATOM 2023 O ILE B 145 -2.966 3.405 -10.328 1.00 0.00 O ATOM 2024 CB ILE B 145 -5.317 1.115 -10.100 1.00 0.00 C ATOM 2025 CG1 ILE B 145 -4.188 0.552 -9.202 1.00 0.00 C ATOM 2026 CG2 ILE B 145 -5.431 0.292 -11.371 1.00 0.00 C ATOM 2027 CD1 ILE B 145 -2.855 0.272 -9.885 1.00 0.00 C ATOM 0 H ILE B 145 -6.922 2.479 -11.549 1.00 0.00 H new ATOM 0 HA ILE B 145 -5.249 3.129 -9.384 1.00 0.00 H new ATOM 0 HB ILE B 145 -6.249 1.015 -9.543 1.00 0.00 H new ATOM 0 HG12 ILE B 145 -4.014 1.257 -8.389 1.00 0.00 H new ATOM 0 HG13 ILE B 145 -4.541 -0.375 -8.750 1.00 0.00 H new ATOM 0 HG21 ILE B 145 -5.499 -0.765 -11.115 1.00 0.00 H new ATOM 0 HG22 ILE B 145 -6.324 0.591 -11.919 1.00 0.00 H new ATOM 0 HG23 ILE B 145 -4.551 0.459 -11.993 1.00 0.00 H new ATOM 0 HD11 ILE B 145 -2.147 -0.118 -9.154 1.00 0.00 H new ATOM 0 HD12 ILE B 145 -3.000 -0.462 -10.678 1.00 0.00 H new ATOM 0 HD13 ILE B 145 -2.464 1.195 -10.312 1.00 0.00 H new ATOM 2039 N ARG B 146 -3.896 3.083 -12.350 1.00 0.00 N ATOM 2040 CA ARG B 146 -2.702 3.482 -13.023 1.00 0.00 C ATOM 2041 C ARG B 146 -2.345 4.920 -12.664 1.00 0.00 C ATOM 2042 O ARG B 146 -1.381 5.156 -11.913 1.00 0.00 O ATOM 2043 CB ARG B 146 -2.799 3.299 -14.544 1.00 0.00 C ATOM 2044 CG ARG B 146 -1.494 3.608 -15.266 1.00 0.00 C ATOM 2045 CD ARG B 146 -1.574 3.331 -16.754 1.00 0.00 C ATOM 2046 NE ARG B 146 -2.475 4.241 -17.472 1.00 0.00 N ATOM 2047 CZ ARG B 146 -2.970 4.000 -18.690 1.00 0.00 C ATOM 2048 NH1 ARG B 146 -2.771 2.817 -19.265 1.00 0.00 N ATOM 2049 NH2 ARG B 146 -3.670 4.930 -19.318 1.00 0.00 N ATOM 0 H ARG B 146 -4.677 2.828 -12.954 1.00 0.00 H new ATOM 0 HA ARG B 146 -1.901 2.827 -12.681 1.00 0.00 H new ATOM 0 HB2 ARG B 146 -3.094 2.273 -14.763 1.00 0.00 H new ATOM 0 HB3 ARG B 146 -3.585 3.947 -14.933 1.00 0.00 H new ATOM 0 HG2 ARG B 146 -1.234 4.655 -15.108 1.00 0.00 H new ATOM 0 HG3 ARG B 146 -0.692 3.011 -14.831 1.00 0.00 H new ATOM 0 HD2 ARG B 146 -0.575 3.407 -17.184 1.00 0.00 H new ATOM 0 HD3 ARG B 146 -1.909 2.305 -16.907 1.00 0.00 H new ATOM 0 HE ARG B 146 -2.740 5.112 -17.012 1.00 0.00 H new ATOM 0 HH11 ARG B 146 -2.241 2.095 -18.776 1.00 0.00 H new ATOM 0 HH12 ARG B 146 -3.148 2.632 -20.194 1.00 0.00 H new ATOM 0 HH21 ARG B 146 -3.833 5.833 -18.873 1.00 0.00 H new ATOM 0 HH22 ARG B 146 -4.047 4.744 -20.247 1.00 0.00 H new ATOM 2063 N SER B 147 -3.194 5.841 -13.069 1.00 0.00 N ATOM 2064 CA SER B 147 -2.923 7.257 -12.930 1.00 0.00 C ATOM 2065 C SER B 147 -2.822 7.711 -11.464 1.00 0.00 C ATOM 2066 O SER B 147 -1.806 8.290 -11.049 1.00 0.00 O ATOM 2067 CB SER B 147 -4.013 8.038 -13.665 1.00 0.00 C ATOM 2068 OG SER B 147 -5.305 7.604 -13.245 1.00 0.00 O ATOM 0 H SER B 147 -4.092 5.629 -13.504 1.00 0.00 H new ATOM 0 HA SER B 147 -1.947 7.458 -13.371 1.00 0.00 H new ATOM 0 HB2 SER B 147 -3.899 9.104 -13.470 1.00 0.00 H new ATOM 0 HB3 SER B 147 -3.907 7.898 -14.741 1.00 0.00 H new ATOM 0 HG SER B 147 -5.547 6.784 -13.724 1.00 0.00 H new ATOM 2074 N GLU B 148 -3.843 7.410 -10.698 1.00 0.00 N ATOM 2075 CA GLU B 148 -3.969 7.876 -9.341 1.00 0.00 C ATOM 2076 C GLU B 148 -3.155 7.049 -8.351 1.00 0.00 C ATOM 2077 O GLU B 148 -2.575 7.602 -7.427 1.00 0.00 O ATOM 2078 CB GLU B 148 -5.467 7.954 -8.957 1.00 0.00 C ATOM 2079 CG GLU B 148 -5.773 8.481 -7.554 1.00 0.00 C ATOM 2080 CD GLU B 148 -7.244 8.810 -7.380 1.00 0.00 C ATOM 2081 OE1 GLU B 148 -7.653 9.933 -7.766 1.00 0.00 O ATOM 2082 OE2 GLU B 148 -8.030 7.971 -6.867 1.00 0.00 O ATOM 0 H GLU B 148 -4.620 6.826 -11.006 1.00 0.00 H new ATOM 0 HA GLU B 148 -3.543 8.878 -9.286 1.00 0.00 H new ATOM 0 HB2 GLU B 148 -5.975 8.591 -9.681 1.00 0.00 H new ATOM 0 HB3 GLU B 148 -5.898 6.957 -9.051 1.00 0.00 H new ATOM 0 HG2 GLU B 148 -5.478 7.737 -6.815 1.00 0.00 H new ATOM 0 HG3 GLU B 148 -5.177 9.373 -7.364 1.00 0.00 H new ATOM 2089 N LEU B 149 -3.044 5.747 -8.573 1.00 0.00 N ATOM 2090 CA LEU B 149 -2.432 4.917 -7.567 1.00 0.00 C ATOM 2091 C LEU B 149 -0.940 4.661 -7.763 1.00 0.00 C ATOM 2092 O LEU B 149 -0.236 4.541 -6.775 1.00 0.00 O ATOM 2093 CB LEU B 149 -3.278 3.633 -7.291 1.00 0.00 C ATOM 2094 CG LEU B 149 -2.806 2.649 -6.182 1.00 0.00 C ATOM 2095 CD1 LEU B 149 -3.980 1.866 -5.623 1.00 0.00 C ATOM 2096 CD2 LEU B 149 -1.768 1.663 -6.706 1.00 0.00 C ATOM 0 H LEU B 149 -3.360 5.263 -9.413 1.00 0.00 H new ATOM 0 HA LEU B 149 -2.448 5.502 -6.647 1.00 0.00 H new ATOM 0 HB2 LEU B 149 -4.290 3.952 -7.041 1.00 0.00 H new ATOM 0 HB3 LEU B 149 -3.342 3.073 -8.224 1.00 0.00 H new ATOM 0 HG LEU B 149 -2.354 3.254 -5.396 1.00 0.00 H new ATOM 0 HD11 LEU B 149 -3.627 1.184 -4.849 1.00 0.00 H new ATOM 0 HD12 LEU B 149 -4.707 2.556 -5.195 1.00 0.00 H new ATOM 0 HD13 LEU B 149 -4.450 1.295 -6.423 1.00 0.00 H new ATOM 0 HD21 LEU B 149 -1.464 0.993 -5.902 1.00 0.00 H new ATOM 0 HD22 LEU B 149 -2.198 1.080 -7.520 1.00 0.00 H new ATOM 0 HD23 LEU B 149 -0.899 2.210 -7.071 1.00 0.00 H new ATOM 2108 N MET B 150 -0.413 4.573 -8.997 1.00 0.00 N ATOM 2109 CA MET B 150 1.040 4.303 -9.066 1.00 0.00 C ATOM 2110 C MET B 150 1.717 4.728 -10.373 1.00 0.00 C ATOM 2111 O MET B 150 2.759 4.185 -10.763 1.00 0.00 O ATOM 2112 CB MET B 150 1.361 2.852 -8.666 1.00 0.00 C ATOM 2113 CG MET B 150 0.786 1.796 -9.572 1.00 0.00 C ATOM 2114 SD MET B 150 1.091 0.103 -9.008 1.00 0.00 S ATOM 2115 CE MET B 150 0.503 -0.801 -10.431 1.00 0.00 C ATOM 0 H MET B 150 -0.909 4.673 -9.883 1.00 0.00 H new ATOM 0 HA MET B 150 1.491 4.960 -8.322 1.00 0.00 H new ATOM 0 HB2 MET B 150 2.444 2.731 -8.635 1.00 0.00 H new ATOM 0 HB3 MET B 150 0.992 2.681 -7.655 1.00 0.00 H new ATOM 0 HG2 MET B 150 -0.289 1.952 -9.659 1.00 0.00 H new ATOM 0 HG3 MET B 150 1.208 1.918 -10.570 1.00 0.00 H new ATOM 0 HE1 MET B 150 0.051 -1.738 -10.105 1.00 0.00 H new ATOM 0 HE2 MET B 150 -0.240 -0.204 -10.960 1.00 0.00 H new ATOM 0 HE3 MET B 150 1.339 -1.014 -11.097 1.00 0.00 H new ATOM 2125 N ASP B 151 1.129 5.721 -11.005 1.00 0.00 N ATOM 2126 CA ASP B 151 1.678 6.444 -12.181 1.00 0.00 C ATOM 2127 C ASP B 151 1.501 5.688 -13.493 1.00 0.00 C ATOM 2128 O ASP B 151 0.591 5.997 -14.256 1.00 0.00 O ATOM 2129 CB ASP B 151 3.147 6.906 -11.965 1.00 0.00 C ATOM 2130 CG ASP B 151 3.674 7.834 -13.049 1.00 0.00 C ATOM 2131 OD1 ASP B 151 4.161 7.355 -14.071 1.00 0.00 O ATOM 2132 OD2 ASP B 151 3.645 9.081 -12.846 1.00 0.00 O ATOM 0 H ASP B 151 0.217 6.077 -10.718 1.00 0.00 H new ATOM 0 HA ASP B 151 1.074 7.346 -12.273 1.00 0.00 H new ATOM 0 HB2 ASP B 151 3.219 7.412 -11.002 1.00 0.00 H new ATOM 0 HB3 ASP B 151 3.789 6.026 -11.912 1.00 0.00 H new ATOM 2137 N ALA B 152 2.314 4.683 -13.743 1.00 0.00 N ATOM 2138 CA ALA B 152 2.242 3.965 -15.005 1.00 0.00 C ATOM 2139 C ALA B 152 2.699 2.522 -14.849 1.00 0.00 C ATOM 2140 O ALA B 152 1.877 1.668 -14.490 1.00 0.00 O ATOM 2141 CB ALA B 152 3.062 4.684 -16.073 1.00 0.00 C ATOM 2142 OXT ALA B 152 3.879 2.225 -15.073 1.00 0.00 O ATOM 0 H ALA B 152 3.028 4.344 -13.098 1.00 0.00 H new ATOM 0 HA ALA B 152 1.200 3.945 -15.323 1.00 0.00 H new ATOM 0 HB1 ALA B 152 2.998 4.134 -17.012 1.00 0.00 H new ATOM 0 HB2 ALA B 152 2.671 5.691 -16.215 1.00 0.00 H new ATOM 0 HB3 ALA B 152 4.103 4.740 -15.756 1.00 0.00 H new TER 2148 ALA B 152