USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 938 hydrogens (27 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 MET CE :methyl -127:sc= -0.0986 (180deg=0) USER MOD Set 1.2: A 109 MET CE :methyl 178:sc= 0 (180deg=0) USER MOD Set 2.1: A 56 THR OG1 : rot 160:sc= -1.39 USER MOD Set 2.2: A 59 GLN :FLIP amide:sc= -0.995 F(o=-3.3,f=-2.4) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 GLN : amide:sc= -0.349 X(o=-0.35,f=-0.00057) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl -172:sc= 0 (180deg=-0.0141) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 180:sc= -0.301 USER MOD Single : A 17 SER OG : rot 62:sc= 0.881 USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0.0117 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc=-0.00412 X(o=-0.0041,f=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -2.34 K(o=-2.3,f=-4.6!) USER MOD Single : A 45 SER OG : rot 87:sc= 0.182 USER MOD Single : A 46 THR OG1 : rot -15:sc= 1.19 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.039) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 140:sc= -0.334 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 79:sc= 1.18 USER MOD Single : A 88 LYS NZ :NH3+ 150:sc= -0.0625 (180deg=-1.62!) USER MOD Single : A 97 ASN : amide:sc= -0.0338 X(o=-0.034,f=-0.42) USER MOD Single : A 99 THR OG1 : rot 62:sc= 0.458 USER MOD Single : A 101 SER OG : rot 180:sc= -0.061 USER MOD Single : A 102 THR OG1 : rot -139:sc= -0.0794 USER MOD Single : A 108 ASN : amide:sc=-0.00844 X(o=-0.0084,f=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= -0.29 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 5.361 11.473 2.498 1.00 10.12 N ATOM 2 CA GLY A 2 4.340 12.419 2.908 1.00 74.34 C ATOM 3 C GLY A 2 4.559 13.799 2.320 1.00 32.31 C ATOM 4 O GLY A 2 5.092 14.687 2.984 1.00 53.43 O ATOM 0 HA2 GLY A 2 3.362 12.048 2.602 1.00 74.34 H new ATOM 0 HA3 GLY A 2 4.329 12.488 3.996 1.00 74.34 H new ATOM 8 N ASN A 3 4.149 13.979 1.068 1.00 52.23 N ATOM 9 CA ASN A 3 4.305 15.260 0.390 1.00 40.45 C ATOM 10 C ASN A 3 3.694 16.391 1.214 1.00 64.31 C ATOM 11 O ASN A 3 4.403 17.268 1.704 1.00 0.31 O ATOM 12 CB ASN A 3 3.651 15.212 -0.992 1.00 30.13 C ATOM 13 CG ASN A 3 4.427 14.349 -1.969 1.00 70.22 C ATOM 14 OD1 ASN A 3 4.218 13.138 -2.047 1.00 60.31 O ATOM 15 ND2 ASN A 3 5.328 14.970 -2.720 1.00 33.33 N ATOM 0 H ASN A 3 3.707 13.254 0.503 1.00 52.23 H new ATOM 0 HA ASN A 3 5.371 15.453 0.274 1.00 40.45 H new ATOM 0 HB2 ASN A 3 2.636 14.826 -0.897 1.00 30.13 H new ATOM 0 HB3 ASN A 3 3.572 16.224 -1.389 1.00 30.13 H new ATOM 0 HD21 ASN A 3 5.880 14.442 -3.395 1.00 33.33 H new ATOM 0 HD22 ASN A 3 5.468 15.976 -2.622 1.00 33.33 H new ATOM 22 N GLY A 4 2.373 16.360 1.363 1.00 35.23 N ATOM 23 CA GLY A 4 1.689 17.386 2.128 1.00 54.32 C ATOM 24 C GLY A 4 0.551 16.829 2.958 1.00 63.43 C ATOM 25 O GLY A 4 -0.617 17.108 2.688 1.00 73.44 O ATOM 0 H GLY A 4 1.765 15.643 0.968 1.00 35.23 H new ATOM 0 HA2 GLY A 4 2.404 17.883 2.784 1.00 54.32 H new ATOM 0 HA3 GLY A 4 1.301 18.144 1.448 1.00 54.32 H new ATOM 29 N GLN A 5 0.891 16.036 3.970 1.00 13.15 N ATOM 30 CA GLN A 5 -0.112 15.435 4.841 1.00 42.01 C ATOM 31 C GLN A 5 -1.042 14.521 4.049 1.00 54.21 C ATOM 32 O GLN A 5 -2.033 14.973 3.477 1.00 1.31 O ATOM 33 CB GLN A 5 -0.924 16.524 5.544 1.00 70.00 C ATOM 34 CG GLN A 5 -1.789 15.999 6.680 1.00 54.30 C ATOM 35 CD GLN A 5 -3.264 15.979 6.329 1.00 75.32 C ATOM 36 OE1 GLN A 5 -3.871 17.023 6.090 1.00 4.34 O ATOM 37 NE2 GLN A 5 -3.848 14.787 6.298 1.00 72.12 N ATOM 0 H GLN A 5 1.854 15.795 4.206 1.00 13.15 H new ATOM 0 HA GLN A 5 0.405 14.836 5.591 1.00 42.01 H new ATOM 0 HB2 GLN A 5 -0.242 17.278 5.936 1.00 70.00 H new ATOM 0 HB3 GLN A 5 -1.561 17.020 4.812 1.00 70.00 H new ATOM 0 HG2 GLN A 5 -1.468 14.990 6.940 1.00 54.30 H new ATOM 0 HG3 GLN A 5 -1.638 16.620 7.563 1.00 54.30 H new ATOM 0 HE21 GLN A 5 -3.306 13.948 6.503 1.00 72.12 H new ATOM 0 HE22 GLN A 5 -4.839 14.710 6.069 1.00 72.12 H new ATOM 46 N GLY A 6 -0.716 13.233 4.023 1.00 42.04 N ATOM 47 CA GLY A 6 -1.532 12.275 3.299 1.00 14.54 C ATOM 48 C GLY A 6 -2.703 11.774 4.120 1.00 1.23 C ATOM 49 O GLY A 6 -2.515 11.157 5.168 1.00 61.45 O ATOM 0 H GLY A 6 0.099 12.835 4.490 1.00 42.04 H new ATOM 0 HA2 GLY A 6 -1.904 12.737 2.385 1.00 14.54 H new ATOM 0 HA3 GLY A 6 -0.914 11.429 2.999 1.00 14.54 H new ATOM 53 N ARG A 7 -3.915 12.041 3.644 1.00 75.23 N ATOM 54 CA ARG A 7 -5.121 11.615 4.344 1.00 62.11 C ATOM 55 C ARG A 7 -5.274 10.098 4.287 1.00 62.15 C ATOM 56 O ARG A 7 -5.381 9.436 5.320 1.00 42.14 O ATOM 57 CB ARG A 7 -6.354 12.286 3.734 1.00 32.34 C ATOM 58 CG ARG A 7 -6.388 13.792 3.934 1.00 5.55 C ATOM 59 CD ARG A 7 -7.659 14.401 3.360 1.00 32.32 C ATOM 60 NE ARG A 7 -7.553 14.635 1.922 1.00 32.33 N ATOM 61 CZ ARG A 7 -8.513 15.199 1.198 1.00 23.43 C ATOM 62 NH1 ARG A 7 -9.642 15.585 1.772 1.00 53.25 N ATOM 63 NH2 ARG A 7 -8.342 15.378 -0.106 1.00 33.13 N ATOM 0 H ARG A 7 -4.088 12.550 2.777 1.00 75.23 H new ATOM 0 HA ARG A 7 -5.031 11.916 5.388 1.00 62.11 H new ATOM 0 HB2 ARG A 7 -6.385 12.069 2.666 1.00 32.34 H new ATOM 0 HB3 ARG A 7 -7.250 11.849 4.174 1.00 32.34 H new ATOM 0 HG2 ARG A 7 -6.322 14.021 4.998 1.00 5.55 H new ATOM 0 HG3 ARG A 7 -5.519 14.244 3.456 1.00 5.55 H new ATOM 0 HD2 ARG A 7 -8.501 13.737 3.558 1.00 32.32 H new ATOM 0 HD3 ARG A 7 -7.870 15.343 3.866 1.00 32.32 H new ATOM 0 HE ARG A 7 -6.696 14.350 1.449 1.00 32.33 H new ATOM 0 HH11 ARG A 7 -9.777 15.450 2.774 1.00 53.25 H new ATOM 0 HH12 ARG A 7 -10.377 16.018 1.212 1.00 53.25 H new ATOM 0 HH21 ARG A 7 -7.473 15.082 -0.552 1.00 33.13 H new ATOM 0 HH22 ARG A 7 -9.079 15.811 -0.662 1.00 33.13 H new ATOM 77 N ASP A 8 -5.285 9.554 3.075 1.00 74.43 N ATOM 78 CA ASP A 8 -5.424 8.115 2.884 1.00 41.34 C ATOM 79 C ASP A 8 -4.291 7.362 3.574 1.00 10.32 C ATOM 80 O ASP A 8 -4.440 6.198 3.943 1.00 42.45 O ATOM 81 CB ASP A 8 -5.445 7.776 1.393 1.00 12.14 C ATOM 82 CG ASP A 8 -6.848 7.523 0.876 1.00 30.52 C ATOM 83 OD1 ASP A 8 -7.138 6.371 0.489 1.00 40.11 O ATOM 84 OD2 ASP A 8 -7.654 8.476 0.860 1.00 65.40 O ATOM 0 H ASP A 8 -5.199 10.088 2.210 1.00 74.43 H new ATOM 0 HA ASP A 8 -6.368 7.804 3.332 1.00 41.34 H new ATOM 0 HB2 ASP A 8 -4.996 8.595 0.831 1.00 12.14 H new ATOM 0 HB3 ASP A 8 -4.831 6.893 1.215 1.00 12.14 H new ATOM 89 N TRP A 9 -3.159 8.035 3.743 1.00 14.15 N ATOM 90 CA TRP A 9 -1.998 7.429 4.387 1.00 13.02 C ATOM 91 C TRP A 9 -2.247 7.228 5.877 1.00 41.13 C ATOM 92 O TRP A 9 -2.247 6.099 6.370 1.00 1.34 O ATOM 93 CB TRP A 9 -0.759 8.302 4.177 1.00 22.20 C ATOM 94 CG TRP A 9 0.434 7.836 4.957 1.00 43.42 C ATOM 95 CD1 TRP A 9 0.990 8.445 6.045 1.00 3.31 C ATOM 96 CD2 TRP A 9 1.217 6.665 4.706 1.00 52.01 C ATOM 97 NE1 TRP A 9 2.072 7.723 6.486 1.00 60.42 N ATOM 98 CE2 TRP A 9 2.232 6.626 5.682 1.00 62.45 C ATOM 99 CE3 TRP A 9 1.159 5.644 3.754 1.00 23.13 C ATOM 100 CZ2 TRP A 9 3.179 5.606 5.730 1.00 14.45 C ATOM 101 CZ3 TRP A 9 2.101 4.634 3.801 1.00 73.41 C ATOM 102 CH2 TRP A 9 3.099 4.620 4.785 1.00 12.15 C ATOM 0 H TRP A 9 -3.020 9.000 3.444 1.00 14.15 H new ATOM 0 HA TRP A 9 -1.828 6.454 3.931 1.00 13.02 H new ATOM 0 HB2 TRP A 9 -0.508 8.316 3.116 1.00 22.20 H new ATOM 0 HB3 TRP A 9 -0.993 9.328 4.462 1.00 22.20 H new ATOM 0 HD1 TRP A 9 0.632 9.360 6.493 1.00 3.31 H new ATOM 0 HE1 TRP A 9 2.661 7.965 7.283 1.00 60.42 H new ATOM 0 HE3 TRP A 9 0.391 5.644 2.994 1.00 23.13 H new ATOM 0 HZ2 TRP A 9 3.950 5.594 6.487 1.00 14.45 H new ATOM 0 HZ3 TRP A 9 2.068 3.842 3.067 1.00 73.41 H new ATOM 0 HH2 TRP A 9 3.819 3.815 4.797 1.00 12.15 H new ATOM 113 N LYS A 10 -2.459 8.328 6.591 1.00 73.13 N ATOM 114 CA LYS A 10 -2.711 8.272 8.026 1.00 73.31 C ATOM 115 C LYS A 10 -4.027 7.560 8.321 1.00 3.32 C ATOM 116 O LYS A 10 -4.172 6.907 9.354 1.00 44.10 O ATOM 117 CB LYS A 10 -2.740 9.684 8.616 1.00 3.35 C ATOM 118 CG LYS A 10 -2.741 9.711 10.133 1.00 75.41 C ATOM 119 CD LYS A 10 -1.585 10.535 10.678 1.00 62.12 C ATOM 120 CE LYS A 10 -0.245 9.882 10.375 1.00 52.41 C ATOM 121 NZ LYS A 10 0.890 10.660 10.944 1.00 73.31 N ATOM 0 H LYS A 10 -2.461 9.270 6.199 1.00 73.13 H new ATOM 0 HA LYS A 10 -1.901 7.708 8.489 1.00 73.31 H new ATOM 0 HB2 LYS A 10 -1.875 10.238 8.252 1.00 3.35 H new ATOM 0 HB3 LYS A 10 -3.627 10.202 8.252 1.00 3.35 H new ATOM 0 HG2 LYS A 10 -3.684 10.125 10.490 1.00 75.41 H new ATOM 0 HG3 LYS A 10 -2.675 8.693 10.516 1.00 75.41 H new ATOM 0 HD2 LYS A 10 -1.611 11.534 10.242 1.00 62.12 H new ATOM 0 HD3 LYS A 10 -1.698 10.654 11.756 1.00 62.12 H new ATOM 0 HE2 LYS A 10 -0.233 8.871 10.782 1.00 52.41 H new ATOM 0 HE3 LYS A 10 -0.120 9.793 9.296 1.00 52.41 H new ATOM 0 HZ1 LYS A 10 1.786 10.184 10.717 1.00 73.31 H new ATOM 0 HZ2 LYS A 10 0.894 11.617 10.537 1.00 73.31 H new ATOM 0 HZ3 LYS A 10 0.784 10.724 11.977 1.00 73.31 H new ATOM 135 N MET A 11 -4.982 7.689 7.406 1.00 10.21 N ATOM 136 CA MET A 11 -6.285 7.055 7.567 1.00 42.32 C ATOM 137 C MET A 11 -6.176 5.541 7.413 1.00 12.42 C ATOM 138 O MET A 11 -6.798 4.786 8.159 1.00 21.11 O ATOM 139 CB MET A 11 -7.278 7.614 6.546 1.00 2.24 C ATOM 140 CG MET A 11 -8.662 6.993 6.642 1.00 42.31 C ATOM 141 SD MET A 11 -9.982 8.205 6.435 1.00 73.11 S ATOM 142 CE MET A 11 -10.837 8.044 8.000 1.00 14.11 C ATOM 0 H MET A 11 -4.878 8.227 6.546 1.00 10.21 H new ATOM 0 HA MET A 11 -6.646 7.275 8.572 1.00 42.32 H new ATOM 0 HB2 MET A 11 -7.362 8.692 6.685 1.00 2.24 H new ATOM 0 HB3 MET A 11 -6.885 7.452 5.542 1.00 2.24 H new ATOM 0 HG2 MET A 11 -8.762 6.219 5.881 1.00 42.31 H new ATOM 0 HG3 MET A 11 -8.771 6.505 7.610 1.00 42.31 H new ATOM 0 HE1 MET A 11 -11.760 8.624 7.972 1.00 14.11 H new ATOM 0 HE2 MET A 11 -11.073 6.995 8.179 1.00 14.11 H new ATOM 0 HE3 MET A 11 -10.200 8.415 8.803 1.00 14.11 H new ATOM 152 N ALA A 12 -5.383 5.106 6.439 1.00 40.23 N ATOM 153 CA ALA A 12 -5.192 3.684 6.189 1.00 23.43 C ATOM 154 C ALA A 12 -4.539 2.998 7.385 1.00 4.52 C ATOM 155 O ALA A 12 -4.996 1.946 7.834 1.00 51.22 O ATOM 156 CB ALA A 12 -4.352 3.476 4.937 1.00 32.31 C ATOM 0 H ALA A 12 -4.863 5.719 5.811 1.00 40.23 H new ATOM 0 HA ALA A 12 -6.173 3.233 6.035 1.00 23.43 H new ATOM 0 HB1 ALA A 12 -4.217 2.409 4.762 1.00 32.31 H new ATOM 0 HB2 ALA A 12 -4.858 3.923 4.081 1.00 32.31 H new ATOM 0 HB3 ALA A 12 -3.378 3.948 5.070 1.00 32.31 H new ATOM 162 N ILE A 13 -3.471 3.600 7.897 1.00 5.34 N ATOM 163 CA ILE A 13 -2.758 3.047 9.040 1.00 70.20 C ATOM 164 C ILE A 13 -3.644 3.023 10.281 1.00 31.14 C ATOM 165 O ILE A 13 -3.766 1.996 10.951 1.00 11.31 O ATOM 166 CB ILE A 13 -1.482 3.852 9.350 1.00 31.03 C ATOM 167 CG1 ILE A 13 -0.541 3.844 8.143 1.00 64.12 C ATOM 168 CG2 ILE A 13 -0.782 3.284 10.576 1.00 23.12 C ATOM 169 CD1 ILE A 13 -0.005 2.470 7.803 1.00 51.51 C ATOM 0 H ILE A 13 -3.081 4.471 7.538 1.00 5.34 H new ATOM 0 HA ILE A 13 -2.479 2.027 8.775 1.00 70.20 H new ATOM 0 HB ILE A 13 -1.764 4.884 9.561 1.00 31.03 H new ATOM 0 HG12 ILE A 13 -1.070 4.243 7.278 1.00 64.12 H new ATOM 0 HG13 ILE A 13 0.296 4.513 8.341 1.00 64.12 H new ATOM 0 HG21 ILE A 13 0.118 3.863 10.782 1.00 23.12 H new ATOM 0 HG22 ILE A 13 -1.452 3.336 11.434 1.00 23.12 H new ATOM 0 HG23 ILE A 13 -0.510 2.245 10.391 1.00 23.12 H new ATOM 0 HD11 ILE A 13 0.654 2.540 6.938 1.00 51.51 H new ATOM 0 HD12 ILE A 13 0.552 2.076 8.653 1.00 51.51 H new ATOM 0 HD13 ILE A 13 -0.835 1.802 7.573 1.00 51.51 H new ATOM 181 N LYS A 14 -4.262 4.159 10.583 1.00 10.43 N ATOM 182 CA LYS A 14 -5.140 4.270 11.741 1.00 34.10 C ATOM 183 C LYS A 14 -6.189 3.163 11.735 1.00 51.42 C ATOM 184 O LYS A 14 -6.526 2.608 12.782 1.00 0.02 O ATOM 185 CB LYS A 14 -5.826 5.638 11.759 1.00 40.22 C ATOM 186 CG LYS A 14 -6.414 6.006 13.110 1.00 13.31 C ATOM 187 CD LYS A 14 -7.929 5.899 13.107 1.00 63.25 C ATOM 188 CE LYS A 14 -8.583 7.235 12.787 1.00 34.32 C ATOM 189 NZ LYS A 14 -9.850 7.064 12.026 1.00 3.20 N ATOM 0 H LYS A 14 -4.171 5.018 10.040 1.00 10.43 H new ATOM 0 HA LYS A 14 -4.531 4.165 12.639 1.00 34.10 H new ATOM 0 HB2 LYS A 14 -5.104 6.401 11.466 1.00 40.22 H new ATOM 0 HB3 LYS A 14 -6.620 5.647 11.012 1.00 40.22 H new ATOM 0 HG2 LYS A 14 -6.004 5.350 13.877 1.00 13.31 H new ATOM 0 HG3 LYS A 14 -6.121 7.023 13.370 1.00 13.31 H new ATOM 0 HD2 LYS A 14 -8.241 5.155 12.373 1.00 63.25 H new ATOM 0 HD3 LYS A 14 -8.272 5.549 14.081 1.00 63.25 H new ATOM 0 HE2 LYS A 14 -8.786 7.771 13.714 1.00 34.32 H new ATOM 0 HE3 LYS A 14 -7.892 7.848 12.209 1.00 34.32 H new ATOM 0 HZ1 LYS A 14 -10.264 7.997 11.828 1.00 3.20 H new ATOM 0 HZ2 LYS A 14 -9.653 6.575 11.130 1.00 3.20 H new ATOM 0 HZ3 LYS A 14 -10.519 6.500 12.588 1.00 3.20 H new ATOM 203 N ARG A 15 -6.702 2.846 10.552 1.00 24.13 N ATOM 204 CA ARG A 15 -7.713 1.805 10.410 1.00 42.14 C ATOM 205 C ARG A 15 -7.069 0.423 10.378 1.00 24.53 C ATOM 206 O ARG A 15 -7.692 -0.573 10.750 1.00 2.21 O ATOM 207 CB ARG A 15 -8.532 2.028 9.137 1.00 53.31 C ATOM 208 CG ARG A 15 -9.750 1.126 9.030 1.00 41.12 C ATOM 209 CD ARG A 15 -10.454 1.296 7.693 1.00 63.51 C ATOM 210 NE ARG A 15 -10.843 2.683 7.452 1.00 65.11 N ATOM 211 CZ ARG A 15 -11.865 3.275 8.060 1.00 2.24 C ATOM 212 NH1 ARG A 15 -12.595 2.605 8.940 1.00 54.32 N ATOM 213 NH2 ARG A 15 -12.157 4.540 7.787 1.00 44.53 N ATOM 0 H ARG A 15 -6.434 3.295 9.676 1.00 24.13 H new ATOM 0 HA ARG A 15 -8.376 1.858 11.273 1.00 42.14 H new ATOM 0 HB2 ARG A 15 -8.857 3.068 9.102 1.00 53.31 H new ATOM 0 HB3 ARG A 15 -7.892 1.864 8.270 1.00 53.31 H new ATOM 0 HG2 ARG A 15 -9.446 0.086 9.153 1.00 41.12 H new ATOM 0 HG3 ARG A 15 -10.444 1.353 9.839 1.00 41.12 H new ATOM 0 HD2 ARG A 15 -9.796 0.959 6.892 1.00 63.51 H new ATOM 0 HD3 ARG A 15 -11.340 0.661 7.666 1.00 63.51 H new ATOM 0 HE ARG A 15 -10.301 3.226 6.781 1.00 65.11 H new ATOM 0 HH11 ARG A 15 -12.373 1.632 9.152 1.00 54.32 H new ATOM 0 HH12 ARG A 15 -13.379 3.062 9.405 1.00 54.32 H new ATOM 0 HH21 ARG A 15 -11.597 5.058 7.110 1.00 44.53 H new ATOM 0 HH22 ARG A 15 -12.942 4.994 8.254 1.00 44.53 H new ATOM 227 N CYS A 16 -5.820 0.368 9.930 1.00 23.21 N ATOM 228 CA CYS A 16 -5.091 -0.892 9.847 1.00 24.20 C ATOM 229 C CYS A 16 -4.940 -1.526 11.227 1.00 40.42 C ATOM 230 O CYS A 16 -5.064 -2.740 11.381 1.00 5.33 O ATOM 231 CB CYS A 16 -3.713 -0.670 9.221 1.00 75.34 C ATOM 232 SG CYS A 16 -2.998 -2.147 8.464 1.00 61.40 S ATOM 0 H CYS A 16 -5.291 1.182 9.618 1.00 23.21 H new ATOM 0 HA CYS A 16 -5.663 -1.572 9.215 1.00 24.20 H new ATOM 0 HB2 CYS A 16 -3.791 0.111 8.465 1.00 75.34 H new ATOM 0 HB3 CYS A 16 -3.032 -0.303 9.989 1.00 75.34 H new ATOM 0 HG CYS A 16 -1.835 -1.857 7.961 1.00 61.40 H new ATOM 238 N SER A 17 -4.671 -0.693 12.227 1.00 2.12 N ATOM 239 CA SER A 17 -4.498 -1.171 13.594 1.00 21.33 C ATOM 240 C SER A 17 -5.729 -1.943 14.059 1.00 32.32 C ATOM 241 O SER A 17 -5.644 -2.790 14.947 1.00 60.44 O ATOM 242 CB SER A 17 -4.230 0.003 14.538 1.00 45.00 C ATOM 243 OG SER A 17 -4.464 1.241 13.890 1.00 3.55 O ATOM 0 H SER A 17 -4.568 0.316 12.117 1.00 2.12 H new ATOM 0 HA SER A 17 -3.641 -1.844 13.612 1.00 21.33 H new ATOM 0 HB2 SER A 17 -4.871 -0.078 15.416 1.00 45.00 H new ATOM 0 HB3 SER A 17 -3.199 -0.038 14.891 1.00 45.00 H new ATOM 0 HG SER A 17 -5.405 1.296 13.620 1.00 3.55 H new ATOM 249 N ASN A 18 -6.872 -1.643 13.452 1.00 51.44 N ATOM 250 CA ASN A 18 -8.121 -2.307 13.804 1.00 63.12 C ATOM 251 C ASN A 18 -8.403 -3.472 12.861 1.00 21.34 C ATOM 252 O ASN A 18 -9.556 -3.837 12.633 1.00 73.23 O ATOM 253 CB ASN A 18 -9.283 -1.311 13.763 1.00 33.22 C ATOM 254 CG ASN A 18 -9.130 -0.203 14.787 1.00 3.33 C ATOM 255 OD1 ASN A 18 -8.240 -0.245 15.636 1.00 32.20 O ATOM 256 ND2 ASN A 18 -10.000 0.798 14.709 1.00 44.04 N ATOM 0 H ASN A 18 -6.959 -0.944 12.714 1.00 51.44 H new ATOM 0 HA ASN A 18 -8.022 -2.698 14.817 1.00 63.12 H new ATOM 0 HB2 ASN A 18 -9.349 -0.875 12.766 1.00 33.22 H new ATOM 0 HB3 ASN A 18 -10.219 -1.841 13.942 1.00 33.22 H new ATOM 0 HD21 ASN A 18 -9.946 1.573 15.370 1.00 44.04 H new ATOM 0 HD22 ASN A 18 -10.722 0.791 13.988 1.00 44.04 H new ATOM 263 N VAL A 19 -7.340 -4.054 12.313 1.00 52.11 N ATOM 264 CA VAL A 19 -7.471 -5.178 11.396 1.00 20.10 C ATOM 265 C VAL A 19 -6.986 -6.472 12.039 1.00 34.41 C ATOM 266 O VAL A 19 -5.908 -6.516 12.633 1.00 51.42 O ATOM 267 CB VAL A 19 -6.681 -4.937 10.095 1.00 64.14 C ATOM 268 CG1 VAL A 19 -6.801 -6.137 9.168 1.00 11.03 C ATOM 269 CG2 VAL A 19 -7.166 -3.670 9.406 1.00 74.30 C ATOM 0 H VAL A 19 -6.378 -3.764 12.489 1.00 52.11 H new ATOM 0 HA VAL A 19 -8.531 -5.269 11.158 1.00 20.10 H new ATOM 0 HB VAL A 19 -5.629 -4.807 10.347 1.00 64.14 H new ATOM 0 HG11 VAL A 19 -6.237 -5.949 8.254 1.00 11.03 H new ATOM 0 HG12 VAL A 19 -6.403 -7.022 9.665 1.00 11.03 H new ATOM 0 HG13 VAL A 19 -7.849 -6.301 8.920 1.00 11.03 H new ATOM 0 HG21 VAL A 19 -6.598 -3.514 8.489 1.00 74.30 H new ATOM 0 HG22 VAL A 19 -8.224 -3.769 9.165 1.00 74.30 H new ATOM 0 HG23 VAL A 19 -7.024 -2.817 10.070 1.00 74.30 H new ATOM 279 N ALA A 20 -7.787 -7.526 11.916 1.00 14.20 N ATOM 280 CA ALA A 20 -7.438 -8.822 12.484 1.00 21.23 C ATOM 281 C ALA A 20 -6.722 -9.695 11.458 1.00 54.20 C ATOM 282 O ALA A 20 -7.354 -10.296 10.590 1.00 50.52 O ATOM 283 CB ALA A 20 -8.684 -9.525 13.000 1.00 32.13 C ATOM 0 H ALA A 20 -8.682 -7.507 11.428 1.00 14.20 H new ATOM 0 HA ALA A 20 -6.757 -8.654 13.319 1.00 21.23 H new ATOM 0 HB1 ALA A 20 -8.408 -10.492 13.421 1.00 32.13 H new ATOM 0 HB2 ALA A 20 -9.154 -8.914 13.771 1.00 32.13 H new ATOM 0 HB3 ALA A 20 -9.384 -9.674 12.178 1.00 32.13 H new ATOM 289 N VAL A 21 -5.398 -9.760 11.564 1.00 54.54 N ATOM 290 CA VAL A 21 -4.596 -10.560 10.646 1.00 75.13 C ATOM 291 C VAL A 21 -5.041 -12.018 10.655 1.00 51.03 C ATOM 292 O VAL A 21 -4.835 -12.746 9.686 1.00 44.22 O ATOM 293 CB VAL A 21 -3.099 -10.489 11.001 1.00 64.23 C ATOM 294 CG1 VAL A 21 -2.261 -11.153 9.919 1.00 12.01 C ATOM 295 CG2 VAL A 21 -2.668 -9.045 11.210 1.00 64.11 C ATOM 0 H VAL A 21 -4.859 -9.268 12.276 1.00 54.54 H new ATOM 0 HA VAL A 21 -4.746 -10.144 9.650 1.00 75.13 H new ATOM 0 HB VAL A 21 -2.939 -11.030 11.934 1.00 64.23 H new ATOM 0 HG11 VAL A 21 -1.206 -11.093 10.187 1.00 12.01 H new ATOM 0 HG12 VAL A 21 -2.552 -12.199 9.824 1.00 12.01 H new ATOM 0 HG13 VAL A 21 -2.423 -10.643 8.969 1.00 12.01 H new ATOM 0 HG21 VAL A 21 -1.608 -9.014 11.460 1.00 64.11 H new ATOM 0 HG22 VAL A 21 -2.842 -8.477 10.296 1.00 64.11 H new ATOM 0 HG23 VAL A 21 -3.245 -8.607 12.024 1.00 64.11 H new ATOM 305 N GLY A 22 -5.654 -12.437 11.759 1.00 23.24 N ATOM 306 CA GLY A 22 -6.119 -13.807 11.873 1.00 52.51 C ATOM 307 C GLY A 22 -7.577 -13.892 12.276 1.00 44.52 C ATOM 308 O GLY A 22 -7.930 -13.613 13.422 1.00 72.14 O ATOM 0 H GLY A 22 -5.836 -11.853 12.575 1.00 23.24 H new ATOM 0 HA2 GLY A 22 -5.979 -14.316 10.919 1.00 52.51 H new ATOM 0 HA3 GLY A 22 -5.511 -14.334 12.608 1.00 52.51 H new ATOM 312 N VAL A 23 -8.430 -14.276 11.331 1.00 0.30 N ATOM 313 CA VAL A 23 -9.859 -14.395 11.593 1.00 62.10 C ATOM 314 C VAL A 23 -10.122 -15.251 12.826 1.00 62.32 C ATOM 315 O VAL A 23 -9.663 -16.390 12.915 1.00 12.54 O ATOM 316 CB VAL A 23 -10.601 -15.006 10.389 1.00 63.32 C ATOM 317 CG1 VAL A 23 -12.085 -15.152 10.694 1.00 15.41 C ATOM 318 CG2 VAL A 23 -10.385 -14.161 9.144 1.00 75.21 C ATOM 0 H VAL A 23 -8.156 -14.510 10.377 1.00 0.30 H new ATOM 0 HA VAL A 23 -10.234 -13.387 11.768 1.00 62.10 H new ATOM 0 HB VAL A 23 -10.194 -15.999 10.200 1.00 63.32 H new ATOM 0 HG11 VAL A 23 -12.593 -15.585 9.832 1.00 15.41 H new ATOM 0 HG12 VAL A 23 -12.217 -15.804 11.558 1.00 15.41 H new ATOM 0 HG13 VAL A 23 -12.510 -14.172 10.911 1.00 15.41 H new ATOM 0 HG21 VAL A 23 -10.917 -14.608 8.304 1.00 75.21 H new ATOM 0 HG22 VAL A 23 -10.763 -13.154 9.318 1.00 75.21 H new ATOM 0 HG23 VAL A 23 -9.320 -14.114 8.916 1.00 75.21 H new ATOM 328 N GLY A 24 -10.866 -14.696 13.779 1.00 15.15 N ATOM 329 CA GLY A 24 -11.177 -15.423 14.996 1.00 23.23 C ATOM 330 C GLY A 24 -11.777 -14.533 16.066 1.00 4.43 C ATOM 331 O GLY A 24 -12.679 -14.946 16.792 1.00 51.41 O ATOM 0 H GLY A 24 -11.259 -13.756 13.729 1.00 15.15 H new ATOM 0 HA2 GLY A 24 -11.873 -16.229 14.766 1.00 23.23 H new ATOM 0 HA3 GLY A 24 -10.269 -15.887 15.381 1.00 23.23 H new ATOM 335 N GLY A 25 -11.274 -13.306 16.163 1.00 33.41 N ATOM 336 CA GLY A 25 -11.776 -12.374 17.156 1.00 74.44 C ATOM 337 C GLY A 25 -10.735 -11.355 17.574 1.00 72.33 C ATOM 338 O GLY A 25 -10.500 -10.372 16.872 1.00 43.13 O ATOM 0 H GLY A 25 -10.528 -12.941 15.571 1.00 33.41 H new ATOM 0 HA2 GLY A 25 -12.647 -11.855 16.755 1.00 74.44 H new ATOM 0 HA3 GLY A 25 -12.110 -12.928 18.033 1.00 74.44 H new ATOM 342 N LYS A 26 -10.109 -11.588 18.723 1.00 51.11 N ATOM 343 CA LYS A 26 -9.088 -10.682 19.235 1.00 72.42 C ATOM 344 C LYS A 26 -7.691 -11.180 18.879 1.00 62.44 C ATOM 345 O LYS A 26 -6.752 -11.037 19.663 1.00 0.25 O ATOM 346 CB LYS A 26 -9.218 -10.540 20.755 1.00 5.42 C ATOM 347 CG LYS A 26 -8.917 -9.140 21.262 1.00 64.41 C ATOM 348 CD LYS A 26 -8.038 -9.174 22.501 1.00 31.24 C ATOM 349 CE LYS A 26 -8.350 -8.017 23.437 1.00 12.21 C ATOM 350 NZ LYS A 26 -7.418 -7.976 24.598 1.00 50.24 N ATOM 0 H LYS A 26 -10.291 -12.397 19.317 1.00 51.11 H new ATOM 0 HA LYS A 26 -9.237 -9.707 18.771 1.00 72.42 H new ATOM 0 HB2 LYS A 26 -10.230 -10.815 21.052 1.00 5.42 H new ATOM 0 HB3 LYS A 26 -8.541 -11.245 21.237 1.00 5.42 H new ATOM 0 HG2 LYS A 26 -8.421 -8.567 20.478 1.00 64.41 H new ATOM 0 HG3 LYS A 26 -9.851 -8.626 21.491 1.00 64.41 H new ATOM 0 HD2 LYS A 26 -8.184 -10.118 23.026 1.00 31.24 H new ATOM 0 HD3 LYS A 26 -6.990 -9.132 22.206 1.00 31.24 H new ATOM 0 HE2 LYS A 26 -8.287 -7.078 22.887 1.00 12.21 H new ATOM 0 HE3 LYS A 26 -9.375 -8.107 23.797 1.00 12.21 H new ATOM 0 HZ1 LYS A 26 -7.664 -7.174 25.212 1.00 50.24 H new ATOM 0 HZ2 LYS A 26 -7.496 -8.862 25.138 1.00 50.24 H new ATOM 0 HZ3 LYS A 26 -6.442 -7.864 24.256 1.00 50.24 H new ATOM 364 N SER A 27 -7.561 -11.766 17.693 1.00 10.00 N ATOM 365 CA SER A 27 -6.279 -12.287 17.235 1.00 21.42 C ATOM 366 C SER A 27 -5.273 -11.158 17.035 1.00 1.23 C ATOM 367 O SER A 27 -5.546 -10.002 17.360 1.00 23.13 O ATOM 368 CB SER A 27 -6.457 -13.062 15.928 1.00 63.33 C ATOM 369 OG SER A 27 -5.488 -14.089 15.807 1.00 72.02 O ATOM 0 H SER A 27 -8.328 -11.892 17.032 1.00 10.00 H new ATOM 0 HA SER A 27 -5.895 -12.961 18.001 1.00 21.42 H new ATOM 0 HB2 SER A 27 -7.457 -13.495 15.892 1.00 63.33 H new ATOM 0 HB3 SER A 27 -6.375 -12.379 15.083 1.00 63.33 H new ATOM 0 HG SER A 27 -5.625 -14.570 14.964 1.00 72.02 H new ATOM 375 N LYS A 28 -4.107 -11.500 16.498 1.00 44.22 N ATOM 376 CA LYS A 28 -3.059 -10.517 16.252 1.00 73.23 C ATOM 377 C LYS A 28 -3.566 -9.394 15.353 1.00 70.20 C ATOM 378 O LYS A 28 -4.038 -9.638 14.243 1.00 24.43 O ATOM 379 CB LYS A 28 -1.842 -11.188 15.611 1.00 14.23 C ATOM 380 CG LYS A 28 -0.529 -10.846 16.293 1.00 71.24 C ATOM 381 CD LYS A 28 0.593 -11.762 15.835 1.00 25.20 C ATOM 382 CE LYS A 28 1.383 -11.146 14.690 1.00 22.11 C ATOM 383 NZ LYS A 28 1.077 -11.803 13.389 1.00 24.51 N ATOM 0 H LYS A 28 -3.864 -12.452 16.224 1.00 44.22 H new ATOM 0 HA LYS A 28 -2.767 -10.087 17.210 1.00 73.23 H new ATOM 0 HB2 LYS A 28 -1.981 -12.269 15.631 1.00 14.23 H new ATOM 0 HB3 LYS A 28 -1.785 -10.893 14.563 1.00 14.23 H new ATOM 0 HG2 LYS A 28 -0.265 -9.811 16.078 1.00 71.24 H new ATOM 0 HG3 LYS A 28 -0.648 -10.927 17.374 1.00 71.24 H new ATOM 0 HD2 LYS A 28 1.262 -11.966 16.671 1.00 25.20 H new ATOM 0 HD3 LYS A 28 0.177 -12.718 15.518 1.00 25.20 H new ATOM 0 HE2 LYS A 28 1.155 -10.082 14.622 1.00 22.11 H new ATOM 0 HE3 LYS A 28 2.450 -11.231 14.898 1.00 22.11 H new ATOM 0 HZ1 LYS A 28 1.635 -11.355 12.634 1.00 24.51 H new ATOM 0 HZ2 LYS A 28 1.318 -12.813 13.445 1.00 24.51 H new ATOM 0 HZ3 LYS A 28 0.064 -11.700 13.178 1.00 24.51 H new ATOM 397 N LYS A 29 -3.463 -8.161 15.839 1.00 70.12 N ATOM 398 CA LYS A 29 -3.909 -6.999 15.079 1.00 25.23 C ATOM 399 C LYS A 29 -2.764 -6.414 14.258 1.00 33.42 C ATOM 400 O LYS A 29 -1.593 -6.691 14.522 1.00 12.11 O ATOM 401 CB LYS A 29 -4.472 -5.933 16.022 1.00 10.02 C ATOM 402 CG LYS A 29 -5.675 -6.402 16.821 1.00 44.22 C ATOM 403 CD LYS A 29 -6.609 -5.250 17.150 1.00 52.14 C ATOM 404 CE LYS A 29 -7.766 -5.703 18.027 1.00 74.51 C ATOM 405 NZ LYS A 29 -7.591 -5.273 19.442 1.00 73.43 N ATOM 0 H LYS A 29 -3.074 -7.941 16.756 1.00 70.12 H new ATOM 0 HA LYS A 29 -4.694 -7.322 14.396 1.00 25.23 H new ATOM 0 HB2 LYS A 29 -3.688 -5.619 16.712 1.00 10.02 H new ATOM 0 HB3 LYS A 29 -4.753 -5.056 15.439 1.00 10.02 H new ATOM 0 HG2 LYS A 29 -6.216 -7.160 16.255 1.00 44.22 H new ATOM 0 HG3 LYS A 29 -5.338 -6.874 17.744 1.00 44.22 H new ATOM 0 HD2 LYS A 29 -6.052 -4.463 17.658 1.00 52.14 H new ATOM 0 HD3 LYS A 29 -6.998 -4.820 16.227 1.00 52.14 H new ATOM 0 HE2 LYS A 29 -8.699 -5.296 17.636 1.00 74.51 H new ATOM 0 HE3 LYS A 29 -7.850 -6.789 17.985 1.00 74.51 H new ATOM 0 HZ1 LYS A 29 -8.400 -5.601 20.007 1.00 73.43 H new ATOM 0 HZ2 LYS A 29 -6.714 -5.682 19.823 1.00 73.43 H new ATOM 0 HZ3 LYS A 29 -7.537 -4.235 19.485 1.00 73.43 H new ATOM 419 N PHE A 30 -3.108 -5.603 13.264 1.00 3.13 N ATOM 420 CA PHE A 30 -2.109 -4.978 12.405 1.00 33.51 C ATOM 421 C PHE A 30 -1.566 -3.703 13.042 1.00 75.30 C ATOM 422 O PHE A 30 -1.934 -3.349 14.161 1.00 11.02 O ATOM 423 CB PHE A 30 -2.710 -4.662 11.034 1.00 61.42 C ATOM 424 CG PHE A 30 -2.183 -5.536 9.933 1.00 22.34 C ATOM 425 CD1 PHE A 30 -3.050 -6.227 9.103 1.00 65.20 C ATOM 426 CD2 PHE A 30 -0.818 -5.668 9.728 1.00 3.45 C ATOM 427 CE1 PHE A 30 -2.569 -7.033 8.087 1.00 74.24 C ATOM 428 CE2 PHE A 30 -0.331 -6.471 8.713 1.00 71.12 C ATOM 429 CZ PHE A 30 -1.207 -7.156 7.893 1.00 53.03 C ATOM 0 H PHE A 30 -4.072 -5.363 13.033 1.00 3.13 H new ATOM 0 HA PHE A 30 -1.284 -5.679 12.279 1.00 33.51 H new ATOM 0 HB2 PHE A 30 -3.793 -4.772 11.087 1.00 61.42 H new ATOM 0 HB3 PHE A 30 -2.507 -3.620 10.789 1.00 61.42 H new ATOM 0 HD1 PHE A 30 -4.116 -6.135 9.251 1.00 65.20 H new ATOM 0 HD2 PHE A 30 -0.128 -5.138 10.368 1.00 3.45 H new ATOM 0 HE1 PHE A 30 -3.257 -7.565 7.447 1.00 74.24 H new ATOM 0 HE2 PHE A 30 0.734 -6.563 8.561 1.00 71.12 H new ATOM 0 HZ PHE A 30 -0.828 -7.786 7.102 1.00 53.03 H new ATOM 439 N GLY A 31 -0.687 -3.015 12.319 1.00 4.02 N ATOM 440 CA GLY A 31 -0.106 -1.787 12.829 1.00 52.11 C ATOM 441 C GLY A 31 0.882 -1.168 11.861 1.00 51.31 C ATOM 442 O GLY A 31 1.275 -1.796 10.879 1.00 24.24 O ATOM 0 H GLY A 31 -0.367 -3.286 11.389 1.00 4.02 H new ATOM 0 HA2 GLY A 31 -0.901 -1.072 13.038 1.00 52.11 H new ATOM 0 HA3 GLY A 31 0.396 -1.991 13.775 1.00 52.11 H new ATOM 446 N GLU A 32 1.284 0.070 12.137 1.00 44.25 N ATOM 447 CA GLU A 32 2.230 0.774 11.280 1.00 51.12 C ATOM 448 C GLU A 32 3.501 -0.046 11.085 1.00 4.55 C ATOM 449 O GLU A 32 4.026 -0.142 9.975 1.00 71.01 O ATOM 450 CB GLU A 32 2.578 2.138 11.882 1.00 43.21 C ATOM 451 CG GLU A 32 3.117 2.058 13.300 1.00 41.43 C ATOM 452 CD GLU A 32 2.933 3.354 14.068 1.00 23.21 C ATOM 453 OE1 GLU A 32 2.677 4.393 13.423 1.00 61.11 O ATOM 454 OE2 GLU A 32 3.045 3.328 15.311 1.00 14.12 O ATOM 0 H GLU A 32 0.969 0.605 12.947 1.00 44.25 H new ATOM 0 HA GLU A 32 1.761 0.922 10.307 1.00 51.12 H new ATOM 0 HB2 GLU A 32 3.318 2.627 11.248 1.00 43.21 H new ATOM 0 HB3 GLU A 32 1.687 2.766 11.876 1.00 43.21 H new ATOM 0 HG2 GLU A 32 2.613 1.250 13.831 1.00 41.43 H new ATOM 0 HG3 GLU A 32 4.177 1.806 13.268 1.00 41.43 H new ATOM 461 N GLY A 33 3.992 -0.637 12.169 1.00 62.24 N ATOM 462 CA GLY A 33 5.198 -1.441 12.096 1.00 44.13 C ATOM 463 C GLY A 33 5.031 -2.656 11.205 1.00 52.43 C ATOM 464 O GLY A 33 5.830 -2.883 10.298 1.00 32.21 O ATOM 0 H GLY A 33 3.576 -0.573 13.098 1.00 62.24 H new ATOM 0 HA2 GLY A 33 6.017 -0.828 11.720 1.00 44.13 H new ATOM 0 HA3 GLY A 33 5.476 -1.765 13.099 1.00 44.13 H new ATOM 468 N ASN A 34 3.988 -3.439 11.463 1.00 72.14 N ATOM 469 CA ASN A 34 3.720 -4.639 10.678 1.00 33.54 C ATOM 470 C ASN A 34 3.559 -4.297 9.201 1.00 22.02 C ATOM 471 O ASN A 34 4.163 -4.932 8.335 1.00 62.25 O ATOM 472 CB ASN A 34 2.461 -5.339 11.192 1.00 74.24 C ATOM 473 CG ASN A 34 2.619 -5.840 12.615 1.00 64.34 C ATOM 474 OD1 ASN A 34 3.154 -6.925 12.847 1.00 42.02 O ATOM 475 ND2 ASN A 34 2.150 -5.052 13.575 1.00 32.52 N ATOM 0 H ASN A 34 3.315 -3.264 12.209 1.00 72.14 H new ATOM 0 HA ASN A 34 4.571 -5.312 10.786 1.00 33.54 H new ATOM 0 HB2 ASN A 34 1.619 -4.648 11.144 1.00 74.24 H new ATOM 0 HB3 ASN A 34 2.222 -6.178 10.538 1.00 74.24 H new ATOM 0 HD21 ASN A 34 2.225 -5.337 14.551 1.00 32.52 H new ATOM 0 HD22 ASN A 34 1.714 -4.161 13.336 1.00 32.52 H new ATOM 482 N PHE A 35 2.740 -3.289 8.918 1.00 41.32 N ATOM 483 CA PHE A 35 2.498 -2.862 7.545 1.00 62.11 C ATOM 484 C PHE A 35 3.812 -2.578 6.824 1.00 32.30 C ATOM 485 O PHE A 35 3.991 -2.953 5.665 1.00 61.30 O ATOM 486 CB PHE A 35 1.612 -1.615 7.525 1.00 33.24 C ATOM 487 CG PHE A 35 1.366 -1.078 6.144 1.00 50.44 C ATOM 488 CD1 PHE A 35 0.954 -1.918 5.122 1.00 2.11 C ATOM 489 CD2 PHE A 35 1.545 0.269 5.868 1.00 30.43 C ATOM 490 CE1 PHE A 35 0.725 -1.427 3.851 1.00 1.42 C ATOM 491 CE2 PHE A 35 1.318 0.766 4.598 1.00 31.32 C ATOM 492 CZ PHE A 35 0.909 -0.083 3.588 1.00 30.41 C ATOM 0 H PHE A 35 2.233 -2.753 9.622 1.00 41.32 H new ATOM 0 HA PHE A 35 1.986 -3.671 7.024 1.00 62.11 H new ATOM 0 HB2 PHE A 35 0.655 -1.851 7.990 1.00 33.24 H new ATOM 0 HB3 PHE A 35 2.078 -0.838 8.131 1.00 33.24 H new ATOM 0 HD1 PHE A 35 0.810 -2.970 5.321 1.00 2.11 H new ATOM 0 HD2 PHE A 35 1.865 0.937 6.654 1.00 30.43 H new ATOM 0 HE1 PHE A 35 0.403 -2.093 3.064 1.00 1.42 H new ATOM 0 HE2 PHE A 35 1.460 1.817 4.396 1.00 31.32 H new ATOM 0 HZ PHE A 35 0.733 0.303 2.595 1.00 30.41 H new ATOM 502 N ARG A 36 4.729 -1.912 7.518 1.00 33.14 N ATOM 503 CA ARG A 36 6.027 -1.575 6.945 1.00 42.24 C ATOM 504 C ARG A 36 6.847 -2.834 6.679 1.00 45.43 C ATOM 505 O ARG A 36 7.544 -2.930 5.669 1.00 63.32 O ATOM 506 CB ARG A 36 6.795 -0.641 7.881 1.00 72.32 C ATOM 507 CG ARG A 36 6.096 0.686 8.127 1.00 71.13 C ATOM 508 CD ARG A 36 6.614 1.770 7.195 1.00 73.52 C ATOM 509 NE ARG A 36 6.958 2.993 7.917 1.00 50.02 N ATOM 510 CZ ARG A 36 7.114 4.173 7.329 1.00 22.00 C ATOM 511 NH1 ARG A 36 6.958 4.291 6.018 1.00 24.12 N ATOM 512 NH2 ARG A 36 7.427 5.240 8.053 1.00 10.40 N ATOM 0 H ARG A 36 4.597 -1.595 8.478 1.00 33.14 H new ATOM 0 HA ARG A 36 5.856 -1.066 5.996 1.00 42.24 H new ATOM 0 HB2 ARG A 36 6.948 -1.143 8.836 1.00 72.32 H new ATOM 0 HB3 ARG A 36 7.782 -0.449 7.460 1.00 72.32 H new ATOM 0 HG2 ARG A 36 5.022 0.565 7.984 1.00 71.13 H new ATOM 0 HG3 ARG A 36 6.248 0.992 9.162 1.00 71.13 H new ATOM 0 HD2 ARG A 36 7.492 1.403 6.664 1.00 73.52 H new ATOM 0 HD3 ARG A 36 5.858 1.993 6.443 1.00 73.52 H new ATOM 0 HE ARG A 36 7.085 2.937 8.927 1.00 50.02 H new ATOM 0 HH11 ARG A 36 6.717 3.474 5.457 1.00 24.12 H new ATOM 0 HH12 ARG A 36 7.079 5.199 5.570 1.00 24.12 H new ATOM 0 HH21 ARG A 36 7.548 5.154 9.062 1.00 10.40 H new ATOM 0 HH22 ARG A 36 7.547 6.146 7.600 1.00 10.40 H new ATOM 526 N TRP A 37 6.758 -3.795 7.591 1.00 74.23 N ATOM 527 CA TRP A 37 7.493 -5.047 7.455 1.00 24.10 C ATOM 528 C TRP A 37 7.059 -5.799 6.201 1.00 72.31 C ATOM 529 O TRP A 37 7.862 -6.487 5.571 1.00 21.41 O ATOM 530 CB TRP A 37 7.278 -5.925 8.690 1.00 53.11 C ATOM 531 CG TRP A 37 7.815 -7.315 8.531 1.00 71.44 C ATOM 532 CD1 TRP A 37 9.009 -7.791 8.994 1.00 14.53 C ATOM 533 CD2 TRP A 37 7.178 -8.409 7.862 1.00 54.35 C ATOM 534 NE1 TRP A 37 9.152 -9.114 8.652 1.00 11.22 N ATOM 535 CE2 TRP A 37 8.041 -9.517 7.959 1.00 15.04 C ATOM 536 CE3 TRP A 37 5.960 -8.560 7.194 1.00 22.21 C ATOM 537 CZ2 TRP A 37 7.726 -10.757 7.409 1.00 73.34 C ATOM 538 CZ3 TRP A 37 5.648 -9.792 6.649 1.00 72.04 C ATOM 539 CH2 TRP A 37 6.527 -10.878 6.761 1.00 13.34 C ATOM 0 H TRP A 37 6.185 -3.731 8.432 1.00 74.23 H new ATOM 0 HA TRP A 37 8.553 -4.810 7.366 1.00 24.10 H new ATOM 0 HB2 TRP A 37 7.756 -5.455 9.549 1.00 53.11 H new ATOM 0 HB3 TRP A 37 6.211 -5.978 8.908 1.00 53.11 H new ATOM 0 HD1 TRP A 37 9.734 -7.212 9.547 1.00 14.53 H new ATOM 0 HE1 TRP A 37 9.955 -9.701 8.877 1.00 11.22 H new ATOM 0 HE3 TRP A 37 5.275 -7.730 7.105 1.00 22.21 H new ATOM 0 HZ2 TRP A 37 8.404 -11.594 7.491 1.00 73.34 H new ATOM 0 HZ3 TRP A 37 4.711 -9.920 6.128 1.00 72.04 H new ATOM 0 HH2 TRP A 37 6.253 -11.828 6.328 1.00 13.34 H new ATOM 550 N ALA A 38 5.786 -5.662 5.844 1.00 74.30 N ATOM 551 CA ALA A 38 5.249 -6.327 4.663 1.00 75.24 C ATOM 552 C ALA A 38 5.755 -5.669 3.385 1.00 42.31 C ATOM 553 O ALA A 38 6.327 -6.331 2.520 1.00 21.54 O ATOM 554 CB ALA A 38 3.728 -6.316 4.699 1.00 74.14 C ATOM 0 H ALA A 38 5.108 -5.097 6.355 1.00 74.30 H new ATOM 0 HA ALA A 38 5.595 -7.361 4.669 1.00 75.24 H new ATOM 0 HB1 ALA A 38 3.339 -6.816 3.812 1.00 74.14 H new ATOM 0 HB2 ALA A 38 3.381 -6.838 5.591 1.00 74.14 H new ATOM 0 HB3 ALA A 38 3.372 -5.286 4.721 1.00 74.14 H new ATOM 560 N ILE A 39 5.539 -4.363 3.272 1.00 32.05 N ATOM 561 CA ILE A 39 5.975 -3.616 2.098 1.00 40.42 C ATOM 562 C ILE A 39 7.493 -3.635 1.967 1.00 32.25 C ATOM 563 O ILE A 39 8.030 -3.671 0.859 1.00 34.33 O ATOM 564 CB ILE A 39 5.494 -2.153 2.151 1.00 40.15 C ATOM 565 CG1 ILE A 39 5.967 -1.485 3.443 1.00 15.03 C ATOM 566 CG2 ILE A 39 3.978 -2.090 2.040 1.00 71.33 C ATOM 567 CD1 ILE A 39 5.507 -0.051 3.586 1.00 5.44 C ATOM 0 H ILE A 39 5.065 -3.800 3.978 1.00 32.05 H new ATOM 0 HA ILE A 39 5.532 -4.105 1.231 1.00 40.42 H new ATOM 0 HB ILE A 39 5.923 -1.614 1.307 1.00 40.15 H new ATOM 0 HG12 ILE A 39 5.604 -2.061 4.294 1.00 15.03 H new ATOM 0 HG13 ILE A 39 7.056 -1.514 3.480 1.00 15.03 H new ATOM 0 HG21 ILE A 39 3.653 -1.050 2.079 1.00 71.33 H new ATOM 0 HG22 ILE A 39 3.664 -2.533 1.095 1.00 71.33 H new ATOM 0 HG23 ILE A 39 3.529 -2.641 2.866 1.00 71.33 H new ATOM 0 HD11 ILE A 39 5.879 0.359 4.525 1.00 5.44 H new ATOM 0 HD12 ILE A 39 5.892 0.539 2.755 1.00 5.44 H new ATOM 0 HD13 ILE A 39 4.418 -0.016 3.582 1.00 5.44 H new ATOM 579 N ARG A 40 8.181 -3.612 3.104 1.00 40.22 N ATOM 580 CA ARG A 40 9.639 -3.627 3.116 1.00 24.33 C ATOM 581 C ARG A 40 10.174 -4.925 2.516 1.00 54.43 C ATOM 582 O ARG A 40 10.967 -4.904 1.576 1.00 32.23 O ATOM 583 CB ARG A 40 10.160 -3.460 4.543 1.00 73.24 C ATOM 584 CG ARG A 40 11.675 -3.360 4.632 1.00 4.42 C ATOM 585 CD ARG A 40 12.140 -3.217 6.073 1.00 25.25 C ATOM 586 NE ARG A 40 11.850 -1.892 6.613 1.00 31.33 N ATOM 587 CZ ARG A 40 12.442 -1.392 7.692 1.00 72.01 C ATOM 588 NH1 ARG A 40 13.352 -2.104 8.342 1.00 22.44 N ATOM 589 NH2 ARG A 40 12.123 -0.178 8.123 1.00 33.54 N ATOM 0 H ARG A 40 7.752 -3.583 4.029 1.00 40.22 H new ATOM 0 HA ARG A 40 9.991 -2.793 2.508 1.00 24.33 H new ATOM 0 HB2 ARG A 40 9.719 -2.563 4.979 1.00 73.24 H new ATOM 0 HB3 ARG A 40 9.824 -4.305 5.144 1.00 73.24 H new ATOM 0 HG2 ARG A 40 12.126 -4.248 4.189 1.00 4.42 H new ATOM 0 HG3 ARG A 40 12.019 -2.504 4.051 1.00 4.42 H new ATOM 0 HD2 ARG A 40 11.653 -3.974 6.688 1.00 25.25 H new ATOM 0 HD3 ARG A 40 13.212 -3.404 6.128 1.00 25.25 H new ATOM 0 HE ARG A 40 11.155 -1.319 6.136 1.00 31.33 H new ATOM 0 HH11 ARG A 40 13.599 -3.038 8.014 1.00 22.44 H new ATOM 0 HH12 ARG A 40 13.805 -1.718 9.170 1.00 22.44 H new ATOM 0 HH21 ARG A 40 11.423 0.372 7.626 1.00 33.54 H new ATOM 0 HH22 ARG A 40 12.578 0.205 8.952 1.00 33.54 H new ATOM 603 N MET A 41 9.733 -6.051 3.067 1.00 50.10 N ATOM 604 CA MET A 41 10.167 -7.357 2.586 1.00 32.31 C ATOM 605 C MET A 41 9.641 -7.621 1.179 1.00 52.25 C ATOM 606 O MET A 41 10.366 -8.119 0.318 1.00 54.22 O ATOM 607 CB MET A 41 9.692 -8.458 3.536 1.00 40.33 C ATOM 608 CG MET A 41 10.409 -9.784 3.339 1.00 31.14 C ATOM 609 SD MET A 41 9.380 -11.202 3.764 1.00 52.43 S ATOM 610 CE MET A 41 10.357 -12.544 3.091 1.00 54.43 C ATOM 0 H MET A 41 9.076 -6.085 3.846 1.00 50.10 H new ATOM 0 HA MET A 41 11.257 -7.360 2.554 1.00 32.31 H new ATOM 0 HB2 MET A 41 9.836 -8.126 4.564 1.00 40.33 H new ATOM 0 HB3 MET A 41 8.622 -8.609 3.397 1.00 40.33 H new ATOM 0 HG2 MET A 41 10.727 -9.869 2.300 1.00 31.14 H new ATOM 0 HG3 MET A 41 11.311 -9.799 3.951 1.00 31.14 H new ATOM 0 HE1 MET A 41 9.850 -13.491 3.275 1.00 54.43 H new ATOM 0 HE2 MET A 41 10.480 -12.401 2.017 1.00 54.43 H new ATOM 0 HE3 MET A 41 11.336 -12.557 3.570 1.00 54.43 H new ATOM 620 N ALA A 42 8.375 -7.285 0.953 1.00 74.03 N ATOM 621 CA ALA A 42 7.753 -7.484 -0.350 1.00 65.14 C ATOM 622 C ALA A 42 8.466 -6.676 -1.429 1.00 74.41 C ATOM 623 O ALA A 42 8.632 -7.139 -2.556 1.00 70.10 O ATOM 624 CB ALA A 42 6.279 -7.109 -0.294 1.00 11.32 C ATOM 0 H ALA A 42 7.760 -6.874 1.655 1.00 74.03 H new ATOM 0 HA ALA A 42 7.839 -8.540 -0.608 1.00 65.14 H new ATOM 0 HB1 ALA A 42 5.827 -7.262 -1.274 1.00 11.32 H new ATOM 0 HB2 ALA A 42 5.772 -7.734 0.441 1.00 11.32 H new ATOM 0 HB3 ALA A 42 6.181 -6.061 -0.009 1.00 11.32 H new ATOM 630 N ASN A 43 8.885 -5.465 -1.074 1.00 75.01 N ATOM 631 CA ASN A 43 9.579 -4.592 -2.013 1.00 73.31 C ATOM 632 C ASN A 43 10.917 -5.197 -2.432 1.00 42.23 C ATOM 633 O ASN A 43 11.176 -5.394 -3.619 1.00 13.30 O ATOM 634 CB ASN A 43 9.804 -3.213 -1.389 1.00 12.33 C ATOM 635 CG ASN A 43 8.619 -2.287 -1.590 1.00 71.54 C ATOM 636 OD1 ASN A 43 7.801 -2.494 -2.486 1.00 30.22 O ATOM 637 ND2 ASN A 43 8.523 -1.261 -0.754 1.00 52.14 N ATOM 0 H ASN A 43 8.756 -5.067 -0.144 1.00 75.01 H new ATOM 0 HA ASN A 43 8.955 -4.485 -2.900 1.00 73.31 H new ATOM 0 HB2 ASN A 43 9.996 -3.327 -0.322 1.00 12.33 H new ATOM 0 HB3 ASN A 43 10.694 -2.760 -1.826 1.00 12.33 H new ATOM 0 HD21 ASN A 43 7.747 -0.604 -0.839 1.00 52.14 H new ATOM 0 HD22 ASN A 43 9.225 -1.129 -0.026 1.00 52.14 H new ATOM 644 N VAL A 44 11.760 -5.490 -1.448 1.00 33.32 N ATOM 645 CA VAL A 44 13.070 -6.074 -1.713 1.00 44.31 C ATOM 646 C VAL A 44 12.939 -7.422 -2.414 1.00 62.42 C ATOM 647 O VAL A 44 13.741 -7.762 -3.283 1.00 42.31 O ATOM 648 CB VAL A 44 13.875 -6.260 -0.414 1.00 72.43 C ATOM 649 CG1 VAL A 44 15.284 -6.741 -0.722 1.00 32.43 C ATOM 650 CG2 VAL A 44 13.908 -4.964 0.382 1.00 72.25 C ATOM 0 H VAL A 44 11.560 -5.333 -0.460 1.00 33.32 H new ATOM 0 HA VAL A 44 13.600 -5.379 -2.364 1.00 44.31 H new ATOM 0 HB VAL A 44 13.382 -7.020 0.192 1.00 72.43 H new ATOM 0 HG11 VAL A 44 15.837 -6.867 0.209 1.00 32.43 H new ATOM 0 HG12 VAL A 44 15.236 -7.695 -1.247 1.00 32.43 H new ATOM 0 HG13 VAL A 44 15.790 -6.007 -1.349 1.00 32.43 H new ATOM 0 HG21 VAL A 44 14.481 -5.114 1.297 1.00 72.25 H new ATOM 0 HG22 VAL A 44 14.376 -4.182 -0.216 1.00 72.25 H new ATOM 0 HG23 VAL A 44 12.890 -4.667 0.636 1.00 72.25 H new ATOM 660 N SER A 45 11.921 -8.186 -2.029 1.00 22.12 N ATOM 661 CA SER A 45 11.687 -9.500 -2.618 1.00 40.43 C ATOM 662 C SER A 45 11.366 -9.378 -4.105 1.00 23.31 C ATOM 663 O SER A 45 11.600 -10.306 -4.881 1.00 61.10 O ATOM 664 CB SER A 45 10.540 -10.209 -1.894 1.00 12.11 C ATOM 665 OG SER A 45 10.995 -10.830 -0.704 1.00 1.24 O ATOM 0 H SER A 45 11.246 -7.918 -1.313 1.00 22.12 H new ATOM 0 HA SER A 45 12.597 -10.089 -2.507 1.00 40.43 H new ATOM 0 HB2 SER A 45 9.756 -9.490 -1.656 1.00 12.11 H new ATOM 0 HB3 SER A 45 10.097 -10.957 -2.552 1.00 12.11 H new ATOM 0 HG SER A 45 10.972 -10.183 0.032 1.00 1.24 H new ATOM 671 N THR A 46 10.830 -8.227 -4.497 1.00 53.14 N ATOM 672 CA THR A 46 10.476 -7.983 -5.889 1.00 13.54 C ATOM 673 C THR A 46 11.596 -7.252 -6.622 1.00 60.13 C ATOM 674 O THR A 46 11.358 -6.568 -7.616 1.00 11.41 O ATOM 675 CB THR A 46 9.180 -7.158 -6.003 1.00 30.12 C ATOM 676 OG1 THR A 46 9.374 -5.860 -5.433 1.00 54.13 O ATOM 677 CG2 THR A 46 8.028 -7.860 -5.301 1.00 71.23 C ATOM 0 H THR A 46 10.631 -7.448 -3.869 1.00 53.14 H new ATOM 0 HA THR A 46 10.319 -8.958 -6.350 1.00 13.54 H new ATOM 0 HB THR A 46 8.932 -7.056 -7.059 1.00 30.12 H new ATOM 0 HG1 THR A 46 10.193 -5.858 -4.895 1.00 54.13 H new ATOM 0 HG21 THR A 46 7.124 -7.259 -5.395 1.00 71.23 H new ATOM 0 HG22 THR A 46 7.864 -8.836 -5.758 1.00 71.23 H new ATOM 0 HG23 THR A 46 8.270 -7.990 -4.246 1.00 71.23 H new ATOM 685 N GLY A 47 12.819 -7.403 -6.123 1.00 33.03 N ATOM 686 CA GLY A 47 13.958 -6.752 -6.743 1.00 13.14 C ATOM 687 C GLY A 47 13.744 -5.263 -6.931 1.00 53.35 C ATOM 688 O GLY A 47 14.314 -4.656 -7.838 1.00 1.01 O ATOM 0 H GLY A 47 13.041 -7.964 -5.301 1.00 33.03 H new ATOM 0 HA2 GLY A 47 14.844 -6.914 -6.129 1.00 13.14 H new ATOM 0 HA3 GLY A 47 14.153 -7.213 -7.711 1.00 13.14 H new ATOM 692 N ARG A 48 12.917 -4.673 -6.073 1.00 34.00 N ATOM 693 CA ARG A 48 12.626 -3.246 -6.151 1.00 64.33 C ATOM 694 C ARG A 48 13.284 -2.494 -4.998 1.00 44.41 C ATOM 695 O ARG A 48 13.384 -3.009 -3.885 1.00 64.11 O ATOM 696 CB ARG A 48 11.115 -3.011 -6.131 1.00 2.21 C ATOM 697 CG ARG A 48 10.466 -3.108 -7.502 1.00 25.24 C ATOM 698 CD ARG A 48 8.986 -2.763 -7.444 1.00 71.11 C ATOM 699 NE ARG A 48 8.398 -2.645 -8.776 1.00 52.42 N ATOM 700 CZ ARG A 48 7.219 -2.080 -9.011 1.00 24.40 C ATOM 701 NH1 ARG A 48 6.505 -1.585 -8.009 1.00 62.44 N ATOM 702 NH2 ARG A 48 6.752 -2.010 -10.251 1.00 45.23 N ATOM 0 H ARG A 48 12.437 -5.161 -5.317 1.00 34.00 H new ATOM 0 HA ARG A 48 13.033 -2.868 -7.089 1.00 64.33 H new ATOM 0 HB2 ARG A 48 10.651 -3.740 -5.466 1.00 2.21 H new ATOM 0 HB3 ARG A 48 10.915 -2.025 -5.712 1.00 2.21 H new ATOM 0 HG2 ARG A 48 10.971 -2.433 -8.193 1.00 25.24 H new ATOM 0 HG3 ARG A 48 10.590 -4.118 -7.894 1.00 25.24 H new ATOM 0 HD2 ARG A 48 8.457 -3.532 -6.881 1.00 71.11 H new ATOM 0 HD3 ARG A 48 8.853 -1.825 -6.905 1.00 71.11 H new ATOM 0 HE ARG A 48 8.921 -3.017 -9.569 1.00 52.42 H new ATOM 0 HH11 ARG A 48 6.861 -1.637 -7.055 1.00 62.44 H new ATOM 0 HH12 ARG A 48 5.600 -1.152 -8.193 1.00 62.44 H new ATOM 0 HH21 ARG A 48 7.298 -2.390 -11.024 1.00 45.23 H new ATOM 0 HH22 ARG A 48 5.847 -1.576 -10.431 1.00 45.23 H new ATOM 716 N GLU A 49 13.730 -1.273 -5.273 1.00 13.53 N ATOM 717 CA GLU A 49 14.379 -0.450 -4.259 1.00 25.15 C ATOM 718 C GLU A 49 13.519 -0.355 -3.002 1.00 24.11 C ATOM 719 O GLU A 49 12.313 -0.605 -3.025 1.00 22.11 O ATOM 720 CB GLU A 49 14.656 0.951 -4.808 1.00 74.03 C ATOM 721 CG GLU A 49 16.074 1.135 -5.322 1.00 42.13 C ATOM 722 CD GLU A 49 16.261 0.587 -6.724 1.00 64.53 C ATOM 723 OE1 GLU A 49 15.246 0.246 -7.367 1.00 21.25 O ATOM 724 OE2 GLU A 49 17.421 0.499 -7.177 1.00 24.33 O ATOM 0 H GLU A 49 13.654 -0.831 -6.189 1.00 13.53 H new ATOM 0 HA GLU A 49 15.325 -0.923 -3.996 1.00 25.15 H new ATOM 0 HB2 GLU A 49 13.956 1.160 -5.617 1.00 74.03 H new ATOM 0 HB3 GLU A 49 14.465 1.683 -4.024 1.00 74.03 H new ATOM 0 HG2 GLU A 49 16.325 2.196 -5.314 1.00 42.13 H new ATOM 0 HG3 GLU A 49 16.769 0.638 -4.646 1.00 42.13 H new ATOM 731 N PRO A 50 14.151 0.013 -1.879 1.00 1.42 N ATOM 732 CA PRO A 50 13.464 0.149 -0.591 1.00 3.34 C ATOM 733 C PRO A 50 12.514 1.342 -0.565 1.00 64.45 C ATOM 734 O PRO A 50 11.605 1.405 0.261 1.00 41.24 O ATOM 735 CB PRO A 50 14.609 0.356 0.403 1.00 31.43 C ATOM 736 CG PRO A 50 15.716 0.935 -0.410 1.00 61.41 C ATOM 737 CD PRO A 50 15.587 0.326 -1.779 1.00 44.45 C ATOM 0 HA PRO A 50 12.840 -0.717 -0.368 1.00 3.34 H new ATOM 0 HB2 PRO A 50 14.317 1.028 1.210 1.00 31.43 H new ATOM 0 HB3 PRO A 50 14.907 -0.585 0.865 1.00 31.43 H new ATOM 0 HG2 PRO A 50 15.639 2.021 -0.457 1.00 61.41 H new ATOM 0 HG3 PRO A 50 16.686 0.703 0.030 1.00 61.41 H new ATOM 0 HD2 PRO A 50 15.902 1.019 -2.559 1.00 44.45 H new ATOM 0 HD3 PRO A 50 16.201 -0.569 -1.880 1.00 44.45 H new ATOM 745 N GLY A 51 12.731 2.286 -1.475 1.00 52.13 N ATOM 746 CA GLY A 51 11.886 3.464 -1.537 1.00 4.45 C ATOM 747 C GLY A 51 10.662 3.254 -2.406 1.00 62.20 C ATOM 748 O GLY A 51 10.361 4.070 -3.277 1.00 75.11 O ATOM 0 H GLY A 51 13.477 2.256 -2.170 1.00 52.13 H new ATOM 0 HA2 GLY A 51 11.570 3.734 -0.529 1.00 4.45 H new ATOM 0 HA3 GLY A 51 12.464 4.302 -1.926 1.00 4.45 H new ATOM 752 N ASP A 52 9.954 2.155 -2.171 1.00 62.43 N ATOM 753 CA ASP A 52 8.755 1.838 -2.939 1.00 71.23 C ATOM 754 C ASP A 52 7.496 2.173 -2.145 1.00 13.13 C ATOM 755 O ASP A 52 6.999 1.352 -1.374 1.00 32.22 O ATOM 756 CB ASP A 52 8.748 0.359 -3.327 1.00 23.34 C ATOM 757 CG ASP A 52 8.932 0.150 -4.818 1.00 73.11 C ATOM 758 OD1 ASP A 52 7.916 -0.024 -5.523 1.00 1.12 O ATOM 759 OD2 ASP A 52 10.093 0.163 -5.279 1.00 45.13 O ATOM 0 H ASP A 52 10.189 1.468 -1.455 1.00 62.43 H new ATOM 0 HA ASP A 52 8.764 2.444 -3.845 1.00 71.23 H new ATOM 0 HB2 ASP A 52 9.543 -0.158 -2.790 1.00 23.34 H new ATOM 0 HB3 ASP A 52 7.806 -0.091 -3.014 1.00 23.34 H new ATOM 764 N ILE A 53 6.987 3.385 -2.337 1.00 12.23 N ATOM 765 CA ILE A 53 5.787 3.830 -1.639 1.00 32.41 C ATOM 766 C ILE A 53 4.677 4.181 -2.624 1.00 54.43 C ATOM 767 O ILE A 53 4.366 5.350 -2.855 1.00 14.52 O ATOM 768 CB ILE A 53 6.075 5.052 -0.748 1.00 52.13 C ATOM 769 CG1 ILE A 53 6.851 6.111 -1.532 1.00 52.21 C ATOM 770 CG2 ILE A 53 6.847 4.632 0.494 1.00 35.21 C ATOM 771 CD1 ILE A 53 6.339 7.519 -1.317 1.00 64.54 C ATOM 0 H ILE A 53 7.387 4.077 -2.971 1.00 12.23 H new ATOM 0 HA ILE A 53 5.462 3.002 -1.010 1.00 32.41 H new ATOM 0 HB ILE A 53 5.126 5.485 -0.432 1.00 52.13 H new ATOM 0 HG12 ILE A 53 7.901 6.067 -1.244 1.00 52.21 H new ATOM 0 HG13 ILE A 53 6.802 5.873 -2.595 1.00 52.21 H new ATOM 0 HG21 ILE A 53 7.043 5.507 1.114 1.00 35.21 H new ATOM 0 HG22 ILE A 53 6.259 3.910 1.061 1.00 35.21 H new ATOM 0 HG23 ILE A 53 7.793 4.178 0.198 1.00 35.21 H new ATOM 0 HD11 ILE A 53 6.936 8.217 -1.904 1.00 64.54 H new ATOM 0 HD12 ILE A 53 5.297 7.579 -1.632 1.00 64.54 H new ATOM 0 HD13 ILE A 53 6.414 7.776 -0.260 1.00 64.54 H new ATOM 783 N PRO A 54 4.062 3.148 -3.217 1.00 33.42 N ATOM 784 CA PRO A 54 2.975 3.323 -4.185 1.00 11.11 C ATOM 785 C PRO A 54 1.696 3.836 -3.533 1.00 33.33 C ATOM 786 O PRO A 54 1.356 3.440 -2.419 1.00 63.45 O ATOM 787 CB PRO A 54 2.765 1.912 -4.740 1.00 41.20 C ATOM 788 CG PRO A 54 3.248 1.004 -3.662 1.00 12.03 C ATOM 789 CD PRO A 54 4.381 1.728 -2.989 1.00 12.14 C ATOM 0 HA PRO A 54 3.221 4.063 -4.947 1.00 11.11 H new ATOM 0 HB2 PRO A 54 1.715 1.730 -4.970 1.00 41.20 H new ATOM 0 HB3 PRO A 54 3.325 1.763 -5.663 1.00 41.20 H new ATOM 0 HG2 PRO A 54 2.451 0.781 -2.953 1.00 12.03 H new ATOM 0 HG3 PRO A 54 3.583 0.052 -4.074 1.00 12.03 H new ATOM 0 HD2 PRO A 54 4.433 1.493 -1.926 1.00 12.14 H new ATOM 0 HD3 PRO A 54 5.344 1.458 -3.422 1.00 12.14 H new ATOM 797 N GLU A 55 0.992 4.718 -4.235 1.00 23.33 N ATOM 798 CA GLU A 55 -0.250 5.284 -3.722 1.00 44.11 C ATOM 799 C GLU A 55 -1.384 5.110 -4.730 1.00 10.00 C ATOM 800 O GLU A 55 -2.146 6.042 -4.991 1.00 22.33 O ATOM 801 CB GLU A 55 -0.065 6.768 -3.397 1.00 30.14 C ATOM 802 CG GLU A 55 1.106 7.046 -2.469 1.00 4.22 C ATOM 803 CD GLU A 55 2.051 8.096 -3.020 1.00 61.03 C ATOM 804 OE1 GLU A 55 3.182 7.733 -3.405 1.00 65.52 O ATOM 805 OE2 GLU A 55 1.660 9.281 -3.065 1.00 51.43 O ATOM 0 H GLU A 55 1.260 5.056 -5.159 1.00 23.33 H new ATOM 0 HA GLU A 55 -0.513 4.750 -2.809 1.00 44.11 H new ATOM 0 HB2 GLU A 55 0.079 7.320 -4.326 1.00 30.14 H new ATOM 0 HB3 GLU A 55 -0.979 7.148 -2.940 1.00 30.14 H new ATOM 0 HG2 GLU A 55 0.728 7.375 -1.501 1.00 4.22 H new ATOM 0 HG3 GLU A 55 1.657 6.121 -2.298 1.00 4.22 H new ATOM 812 N THR A 56 -1.489 3.911 -5.293 1.00 33.23 N ATOM 813 CA THR A 56 -2.527 3.615 -6.272 1.00 22.32 C ATOM 814 C THR A 56 -3.006 2.174 -6.145 1.00 24.44 C ATOM 815 O THR A 56 -2.202 1.248 -6.032 1.00 34.22 O ATOM 816 CB THR A 56 -2.027 3.853 -7.709 1.00 3.53 C ATOM 817 OG1 THR A 56 -1.124 2.810 -8.093 1.00 1.53 O ATOM 818 CG2 THR A 56 -1.332 5.201 -7.824 1.00 32.34 C ATOM 0 H THR A 56 -0.868 3.129 -5.088 1.00 33.23 H new ATOM 0 HA THR A 56 -3.357 4.291 -6.068 1.00 22.32 H new ATOM 0 HB THR A 56 -2.890 3.849 -8.375 1.00 3.53 H new ATOM 0 HG1 THR A 56 -1.061 2.776 -9.070 1.00 1.53 H new ATOM 0 HG21 THR A 56 -0.988 5.347 -8.848 1.00 32.34 H new ATOM 0 HG22 THR A 56 -2.031 5.995 -7.560 1.00 32.34 H new ATOM 0 HG23 THR A 56 -0.479 5.229 -7.147 1.00 32.34 H new ATOM 826 N LEU A 57 -4.322 1.989 -6.167 1.00 73.44 N ATOM 827 CA LEU A 57 -4.909 0.658 -6.055 1.00 63.02 C ATOM 828 C LEU A 57 -4.300 -0.294 -7.080 1.00 71.44 C ATOM 829 O LEU A 57 -4.187 -1.495 -6.835 1.00 0.01 O ATOM 830 CB LEU A 57 -6.425 0.730 -6.248 1.00 13.41 C ATOM 831 CG LEU A 57 -7.243 -0.360 -5.555 1.00 31.24 C ATOM 832 CD1 LEU A 57 -8.460 0.239 -4.869 1.00 54.34 C ATOM 833 CD2 LEU A 57 -7.664 -1.427 -6.556 1.00 41.42 C ATOM 0 H LEU A 57 -5.002 2.743 -6.261 1.00 73.44 H new ATOM 0 HA LEU A 57 -4.693 0.276 -5.057 1.00 63.02 H new ATOM 0 HB2 LEU A 57 -6.771 1.699 -5.889 1.00 13.41 H new ATOM 0 HB3 LEU A 57 -6.637 0.691 -7.316 1.00 13.41 H new ATOM 0 HG LEU A 57 -6.618 -0.828 -4.795 1.00 31.24 H new ATOM 0 HD11 LEU A 57 -9.029 -0.553 -4.382 1.00 54.34 H new ATOM 0 HD12 LEU A 57 -8.137 0.965 -4.123 1.00 54.34 H new ATOM 0 HD13 LEU A 57 -9.088 0.734 -5.609 1.00 54.34 H new ATOM 0 HD21 LEU A 57 -8.245 -2.195 -6.046 1.00 41.42 H new ATOM 0 HD22 LEU A 57 -8.271 -0.972 -7.339 1.00 41.42 H new ATOM 0 HD23 LEU A 57 -6.777 -1.879 -7.001 1.00 41.42 H new ATOM 845 N ASP A 58 -3.907 0.251 -8.225 1.00 41.21 N ATOM 846 CA ASP A 58 -3.306 -0.550 -9.286 1.00 10.23 C ATOM 847 C ASP A 58 -1.951 -1.097 -8.851 1.00 33.32 C ATOM 848 O ASP A 58 -1.619 -2.250 -9.129 1.00 74.22 O ATOM 849 CB ASP A 58 -3.148 0.286 -10.558 1.00 40.54 C ATOM 850 CG ASP A 58 -2.665 -0.537 -11.735 1.00 72.13 C ATOM 851 OD1 ASP A 58 -1.446 -0.526 -12.007 1.00 1.31 O ATOM 852 OD2 ASP A 58 -3.505 -1.194 -12.384 1.00 61.21 O ATOM 0 H ASP A 58 -3.993 1.244 -8.443 1.00 41.21 H new ATOM 0 HA ASP A 58 -3.968 -1.391 -9.493 1.00 10.23 H new ATOM 0 HB2 ASP A 58 -4.104 0.746 -10.808 1.00 40.54 H new ATOM 0 HB3 ASP A 58 -2.443 1.096 -10.371 1.00 40.54 H new ATOM 857 N GLN A 59 -1.171 -0.263 -8.170 1.00 40.24 N ATOM 858 CA GLN A 59 0.148 -0.664 -7.698 1.00 24.15 C ATOM 859 C GLN A 59 0.041 -1.771 -6.656 1.00 33.51 C ATOM 860 O GLN A 59 0.798 -2.742 -6.685 1.00 71.54 O ATOM 861 CB GLN A 59 0.890 0.537 -7.111 1.00 74.13 C ATOM 862 CG GLN A 59 1.956 1.105 -8.033 1.00 2.42 C ATOM 863 CD GLN A 59 1.626 2.506 -8.513 1.00 31.32 C ATOM 864 OE1 GLN A 59 1.501 3.438 -7.576 1.00 20.24 O flip ATOM 865 NE2 GLN A 59 1.485 2.746 -9.712 1.00 1.43 N flip ATOM 0 H GLN A 59 -1.430 0.695 -7.933 1.00 40.24 H new ATOM 0 HA GLN A 59 0.709 -1.047 -8.550 1.00 24.15 H new ATOM 0 HB2 GLN A 59 0.169 1.320 -6.878 1.00 74.13 H new ATOM 0 HB3 GLN A 59 1.355 0.242 -6.171 1.00 74.13 H new ATOM 0 HG2 GLN A 59 2.913 1.120 -7.511 1.00 2.42 H new ATOM 0 HG3 GLN A 59 2.073 0.448 -8.895 1.00 2.42 H new ATOM 0 HE21 GLN A 59 1.590 1.998 -10.398 1.00 1.43 H new ATOM 0 HE22 GLN A 59 1.263 3.693 -10.020 1.00 1.43 H new ATOM 874 N LEU A 60 -0.904 -1.619 -5.733 1.00 23.05 N ATOM 875 CA LEU A 60 -1.111 -2.606 -4.680 1.00 33.51 C ATOM 876 C LEU A 60 -1.421 -3.977 -5.271 1.00 34.12 C ATOM 877 O LEU A 60 -0.815 -4.980 -4.891 1.00 55.21 O ATOM 878 CB LEU A 60 -2.249 -2.166 -3.758 1.00 53.44 C ATOM 879 CG LEU A 60 -1.872 -1.184 -2.648 1.00 73.25 C ATOM 880 CD1 LEU A 60 -0.811 -1.787 -1.739 1.00 61.33 C ATOM 881 CD2 LEU A 60 -1.384 0.130 -3.240 1.00 40.43 C ATOM 0 H LEU A 60 -1.538 -0.821 -5.693 1.00 23.05 H new ATOM 0 HA LEU A 60 -0.191 -2.681 -4.101 1.00 33.51 H new ATOM 0 HB2 LEU A 60 -3.029 -1.711 -4.368 1.00 53.44 H new ATOM 0 HB3 LEU A 60 -2.681 -3.055 -3.298 1.00 53.44 H new ATOM 0 HG LEU A 60 -2.762 -0.982 -2.051 1.00 73.25 H new ATOM 0 HD11 LEU A 60 -0.555 -1.074 -0.955 1.00 61.33 H new ATOM 0 HD12 LEU A 60 -1.196 -2.701 -1.287 1.00 61.33 H new ATOM 0 HD13 LEU A 60 0.080 -2.019 -2.323 1.00 61.33 H new ATOM 0 HD21 LEU A 60 -1.120 0.816 -2.435 1.00 40.43 H new ATOM 0 HD22 LEU A 60 -0.508 -0.054 -3.861 1.00 40.43 H new ATOM 0 HD23 LEU A 60 -2.174 0.571 -3.848 1.00 40.43 H new ATOM 893 N ARG A 61 -2.367 -4.013 -6.204 1.00 75.42 N ATOM 894 CA ARG A 61 -2.757 -5.262 -6.849 1.00 73.02 C ATOM 895 C ARG A 61 -1.576 -5.886 -7.585 1.00 34.33 C ATOM 896 O ARG A 61 -1.419 -7.107 -7.607 1.00 24.24 O ATOM 897 CB ARG A 61 -3.909 -5.018 -7.825 1.00 35.11 C ATOM 898 CG ARG A 61 -4.231 -6.218 -8.700 1.00 55.14 C ATOM 899 CD ARG A 61 -3.553 -6.116 -10.058 1.00 54.03 C ATOM 900 NE ARG A 61 -3.992 -4.938 -10.800 1.00 10.45 N ATOM 901 CZ ARG A 61 -5.204 -4.812 -11.329 1.00 11.41 C ATOM 902 NH1 ARG A 61 -6.094 -5.786 -11.197 1.00 72.51 N ATOM 903 NH2 ARG A 61 -5.530 -3.709 -11.992 1.00 73.41 N ATOM 0 H ARG A 61 -2.877 -3.192 -6.530 1.00 75.42 H new ATOM 0 HA ARG A 61 -3.086 -5.954 -6.074 1.00 73.02 H new ATOM 0 HB2 ARG A 61 -4.800 -4.741 -7.261 1.00 35.11 H new ATOM 0 HB3 ARG A 61 -3.660 -4.170 -8.463 1.00 35.11 H new ATOM 0 HG2 ARG A 61 -3.910 -7.131 -8.199 1.00 55.14 H new ATOM 0 HG3 ARG A 61 -5.310 -6.292 -8.836 1.00 55.14 H new ATOM 0 HD2 ARG A 61 -2.472 -6.077 -9.922 1.00 54.03 H new ATOM 0 HD3 ARG A 61 -3.769 -7.012 -10.640 1.00 54.03 H new ATOM 0 HE ARG A 61 -3.332 -4.169 -10.919 1.00 10.45 H new ATOM 0 HH11 ARG A 61 -5.849 -6.635 -10.688 1.00 72.51 H new ATOM 0 HH12 ARG A 61 -7.024 -5.686 -11.604 1.00 72.51 H new ATOM 0 HH21 ARG A 61 -4.849 -2.956 -12.096 1.00 73.41 H new ATOM 0 HH22 ARG A 61 -6.461 -3.614 -12.397 1.00 73.41 H new ATOM 917 N LEU A 62 -0.746 -5.040 -8.185 1.00 4.35 N ATOM 918 CA LEU A 62 0.422 -5.508 -8.924 1.00 4.20 C ATOM 919 C LEU A 62 1.464 -6.096 -7.978 1.00 51.33 C ATOM 920 O LEU A 62 2.000 -7.177 -8.222 1.00 2.04 O ATOM 921 CB LEU A 62 1.035 -4.360 -9.728 1.00 73.41 C ATOM 922 CG LEU A 62 2.140 -4.745 -10.712 1.00 23.14 C ATOM 923 CD1 LEU A 62 1.549 -5.432 -11.935 1.00 74.24 C ATOM 924 CD2 LEU A 62 2.941 -3.519 -11.123 1.00 41.51 C ATOM 0 H LEU A 62 -0.860 -4.026 -8.174 1.00 4.35 H new ATOM 0 HA LEU A 62 0.098 -6.291 -9.610 1.00 4.20 H new ATOM 0 HB2 LEU A 62 0.238 -3.866 -10.283 1.00 73.41 H new ATOM 0 HB3 LEU A 62 1.438 -3.628 -9.028 1.00 73.41 H new ATOM 0 HG LEU A 62 2.814 -5.444 -10.216 1.00 23.14 H new ATOM 0 HD11 LEU A 62 2.350 -5.699 -12.625 1.00 74.24 H new ATOM 0 HD12 LEU A 62 1.020 -6.334 -11.626 1.00 74.24 H new ATOM 0 HD13 LEU A 62 0.853 -4.756 -12.431 1.00 74.24 H new ATOM 0 HD21 LEU A 62 3.723 -3.813 -11.823 1.00 41.51 H new ATOM 0 HD22 LEU A 62 2.280 -2.796 -11.600 1.00 41.51 H new ATOM 0 HD23 LEU A 62 3.395 -3.069 -10.241 1.00 41.51 H new ATOM 936 N VAL A 63 1.745 -5.377 -6.896 1.00 32.12 N ATOM 937 CA VAL A 63 2.722 -5.829 -5.911 1.00 41.33 C ATOM 938 C VAL A 63 2.360 -7.209 -5.373 1.00 32.31 C ATOM 939 O VAL A 63 3.235 -8.043 -5.139 1.00 22.31 O ATOM 940 CB VAL A 63 2.828 -4.843 -4.732 1.00 3.44 C ATOM 941 CG1 VAL A 63 3.827 -5.346 -3.703 1.00 35.32 C ATOM 942 CG2 VAL A 63 3.214 -3.458 -5.231 1.00 12.01 C ATOM 0 H VAL A 63 1.311 -4.480 -6.679 1.00 32.12 H new ATOM 0 HA VAL A 63 3.685 -5.880 -6.420 1.00 41.33 H new ATOM 0 HB VAL A 63 1.853 -4.772 -4.250 1.00 3.44 H new ATOM 0 HG11 VAL A 63 3.888 -4.636 -2.878 1.00 35.32 H new ATOM 0 HG12 VAL A 63 3.503 -6.315 -3.325 1.00 35.32 H new ATOM 0 HG13 VAL A 63 4.808 -5.448 -4.168 1.00 35.32 H new ATOM 0 HG21 VAL A 63 3.285 -2.773 -4.386 1.00 12.01 H new ATOM 0 HG22 VAL A 63 4.178 -3.509 -5.738 1.00 12.01 H new ATOM 0 HG23 VAL A 63 2.457 -3.098 -5.927 1.00 12.01 H new ATOM 952 N ILE A 64 1.066 -7.442 -5.178 1.00 34.53 N ATOM 953 CA ILE A 64 0.590 -8.722 -4.668 1.00 5.40 C ATOM 954 C ILE A 64 0.879 -9.849 -5.655 1.00 1.41 C ATOM 955 O ILE A 64 1.538 -10.832 -5.314 1.00 41.21 O ATOM 956 CB ILE A 64 -0.922 -8.684 -4.379 1.00 61.41 C ATOM 957 CG1 ILE A 64 -1.238 -7.604 -3.343 1.00 70.14 C ATOM 958 CG2 ILE A 64 -1.403 -10.045 -3.898 1.00 73.21 C ATOM 959 CD1 ILE A 64 -2.649 -7.068 -3.439 1.00 61.44 C ATOM 0 H ILE A 64 0.329 -6.762 -5.365 1.00 34.53 H new ATOM 0 HA ILE A 64 1.126 -8.911 -3.738 1.00 5.40 H new ATOM 0 HB ILE A 64 -1.448 -8.440 -5.302 1.00 61.41 H new ATOM 0 HG12 ILE A 64 -1.080 -8.013 -2.345 1.00 70.14 H new ATOM 0 HG13 ILE A 64 -0.536 -6.779 -3.464 1.00 70.14 H new ATOM 0 HG21 ILE A 64 -2.474 -10.003 -3.698 1.00 73.21 H new ATOM 0 HG22 ILE A 64 -1.207 -10.793 -4.667 1.00 73.21 H new ATOM 0 HG23 ILE A 64 -0.874 -10.316 -2.985 1.00 73.21 H new ATOM 0 HD11 ILE A 64 -2.802 -6.306 -2.674 1.00 61.44 H new ATOM 0 HD12 ILE A 64 -2.805 -6.629 -4.424 1.00 61.44 H new ATOM 0 HD13 ILE A 64 -3.358 -7.882 -3.288 1.00 61.44 H new ATOM 971 N CYS A 65 0.385 -9.697 -6.879 1.00 1.51 N ATOM 972 CA CYS A 65 0.591 -10.701 -7.917 1.00 75.51 C ATOM 973 C CYS A 65 2.073 -11.027 -8.071 1.00 73.05 C ATOM 974 O CYS A 65 2.448 -12.186 -8.250 1.00 13.11 O ATOM 975 CB CYS A 65 0.022 -10.212 -9.249 1.00 33.41 C ATOM 976 SG CYS A 65 0.023 -11.462 -10.555 1.00 0.31 S ATOM 0 H CYS A 65 -0.161 -8.888 -7.177 1.00 1.51 H new ATOM 0 HA CYS A 65 0.067 -11.609 -7.619 1.00 75.51 H new ATOM 0 HB2 CYS A 65 -1.000 -9.868 -9.091 1.00 33.41 H new ATOM 0 HB3 CYS A 65 0.600 -9.351 -9.585 1.00 33.41 H new ATOM 0 HG CYS A 65 -0.479 -10.955 -11.642 1.00 0.31 H new ATOM 982 N ASP A 66 2.911 -9.998 -8.000 1.00 45.13 N ATOM 983 CA ASP A 66 4.352 -10.175 -8.133 1.00 74.05 C ATOM 984 C ASP A 66 4.897 -11.052 -7.010 1.00 72.23 C ATOM 985 O ASP A 66 5.563 -12.057 -7.260 1.00 22.23 O ATOM 986 CB ASP A 66 5.056 -8.818 -8.124 1.00 13.15 C ATOM 987 CG ASP A 66 4.538 -7.890 -9.206 1.00 12.25 C ATOM 988 OD1 ASP A 66 4.789 -6.669 -9.112 1.00 63.55 O ATOM 989 OD2 ASP A 66 3.884 -8.384 -10.148 1.00 50.34 O ATOM 0 H ASP A 66 2.617 -9.033 -7.851 1.00 45.13 H new ATOM 0 HA ASP A 66 4.547 -10.671 -9.084 1.00 74.05 H new ATOM 0 HB2 ASP A 66 4.920 -8.348 -7.150 1.00 13.15 H new ATOM 0 HB3 ASP A 66 6.127 -8.967 -8.259 1.00 13.15 H new ATOM 994 N LEU A 67 4.611 -10.664 -5.772 1.00 45.10 N ATOM 995 CA LEU A 67 5.073 -11.414 -4.609 1.00 20.31 C ATOM 996 C LEU A 67 4.554 -12.849 -4.644 1.00 11.32 C ATOM 997 O LEU A 67 5.313 -13.798 -4.454 1.00 61.10 O ATOM 998 CB LEU A 67 4.620 -10.727 -3.320 1.00 45.11 C ATOM 999 CG LEU A 67 5.669 -10.617 -2.213 1.00 1.21 C ATOM 1000 CD1 LEU A 67 6.836 -9.755 -2.669 1.00 71.11 C ATOM 1001 CD2 LEU A 67 5.049 -10.050 -0.945 1.00 62.13 C ATOM 0 H LEU A 67 4.061 -9.835 -5.548 1.00 45.10 H new ATOM 0 HA LEU A 67 6.162 -11.440 -4.635 1.00 20.31 H new ATOM 0 HB2 LEU A 67 4.277 -9.723 -3.569 1.00 45.11 H new ATOM 0 HB3 LEU A 67 3.761 -11.269 -2.926 1.00 45.11 H new ATOM 0 HG LEU A 67 6.045 -11.616 -1.994 1.00 1.21 H new ATOM 0 HD11 LEU A 67 7.573 -9.688 -1.869 1.00 71.11 H new ATOM 0 HD12 LEU A 67 7.297 -10.203 -3.550 1.00 71.11 H new ATOM 0 HD13 LEU A 67 6.476 -8.756 -2.916 1.00 71.11 H new ATOM 0 HD21 LEU A 67 5.810 -9.979 -0.168 1.00 62.13 H new ATOM 0 HD22 LEU A 67 4.645 -9.058 -1.149 1.00 62.13 H new ATOM 0 HD23 LEU A 67 4.246 -10.706 -0.608 1.00 62.13 H new ATOM 1013 N GLN A 68 3.257 -12.996 -4.892 1.00 43.25 N ATOM 1014 CA GLN A 68 2.637 -14.314 -4.953 1.00 45.52 C ATOM 1015 C GLN A 68 3.216 -15.135 -6.100 1.00 2.41 C ATOM 1016 O GLN A 68 3.308 -16.359 -6.015 1.00 45.35 O ATOM 1017 CB GLN A 68 1.122 -14.181 -5.119 1.00 4.01 C ATOM 1018 CG GLN A 68 0.342 -15.360 -4.559 1.00 70.13 C ATOM 1019 CD GLN A 68 -0.648 -15.931 -5.554 1.00 24.14 C ATOM 1020 OE1 GLN A 68 -0.273 -16.351 -6.649 1.00 24.52 O ATOM 1021 NE2 GLN A 68 -1.922 -15.950 -5.179 1.00 14.45 N ATOM 0 H GLN A 68 2.616 -12.220 -5.054 1.00 43.25 H new ATOM 0 HA GLN A 68 2.849 -14.831 -4.017 1.00 45.52 H new ATOM 0 HB2 GLN A 68 0.790 -13.268 -4.624 1.00 4.01 H new ATOM 0 HB3 GLN A 68 0.889 -14.072 -6.178 1.00 4.01 H new ATOM 0 HG2 GLN A 68 1.039 -16.141 -4.257 1.00 70.13 H new ATOM 0 HG3 GLN A 68 -0.191 -15.045 -3.662 1.00 70.13 H new ATOM 0 HE21 GLN A 68 -2.189 -15.592 -4.262 1.00 14.45 H new ATOM 0 HE22 GLN A 68 -2.633 -16.323 -5.808 1.00 14.45 H new ATOM 1030 N GLU A 69 3.604 -14.452 -7.173 1.00 22.33 N ATOM 1031 CA GLU A 69 4.174 -15.120 -8.338 1.00 44.54 C ATOM 1032 C GLU A 69 5.482 -15.817 -7.980 1.00 33.31 C ATOM 1033 O GLU A 69 5.681 -16.991 -8.295 1.00 53.24 O ATOM 1034 CB GLU A 69 4.410 -14.113 -9.466 1.00 72.54 C ATOM 1035 CG GLU A 69 3.338 -14.142 -10.541 1.00 22.15 C ATOM 1036 CD GLU A 69 3.767 -13.431 -11.810 1.00 44.50 C ATOM 1037 OE1 GLU A 69 3.322 -13.846 -12.902 1.00 51.42 O ATOM 1038 OE2 GLU A 69 4.546 -12.461 -11.713 1.00 13.45 O ATOM 0 H GLU A 69 3.534 -13.438 -7.260 1.00 22.33 H new ATOM 0 HA GLU A 69 3.463 -15.874 -8.677 1.00 44.54 H new ATOM 0 HB2 GLU A 69 4.460 -13.110 -9.042 1.00 72.54 H new ATOM 0 HB3 GLU A 69 5.378 -14.314 -9.925 1.00 72.54 H new ATOM 0 HG2 GLU A 69 3.091 -15.178 -10.775 1.00 22.15 H new ATOM 0 HG3 GLU A 69 2.430 -13.676 -10.157 1.00 22.15 H new ATOM 1045 N ARG A 70 6.374 -15.085 -7.320 1.00 73.11 N ATOM 1046 CA ARG A 70 7.666 -15.630 -6.921 1.00 51.23 C ATOM 1047 C ARG A 70 7.488 -16.785 -5.939 1.00 15.01 C ATOM 1048 O ARG A 70 8.073 -17.854 -6.109 1.00 22.45 O ATOM 1049 CB ARG A 70 8.532 -14.538 -6.289 1.00 44.21 C ATOM 1050 CG ARG A 70 10.023 -14.756 -6.483 1.00 22.24 C ATOM 1051 CD ARG A 70 10.797 -13.452 -6.358 1.00 24.24 C ATOM 1052 NE ARG A 70 12.226 -13.682 -6.152 1.00 45.45 N ATOM 1053 CZ ARG A 70 13.044 -14.121 -7.100 1.00 3.23 C ATOM 1054 NH1 ARG A 70 12.580 -14.377 -8.316 1.00 52.43 N ATOM 1055 NH2 ARG A 70 14.331 -14.304 -6.835 1.00 1.22 N ATOM 0 H ARG A 70 6.225 -14.113 -7.050 1.00 73.11 H new ATOM 0 HA ARG A 70 8.164 -16.007 -7.814 1.00 51.23 H new ATOM 0 HB2 ARG A 70 8.256 -13.574 -6.716 1.00 44.21 H new ATOM 0 HB3 ARG A 70 8.317 -14.487 -5.222 1.00 44.21 H new ATOM 0 HG2 ARG A 70 10.387 -15.469 -5.743 1.00 22.24 H new ATOM 0 HG3 ARG A 70 10.203 -15.195 -7.464 1.00 22.24 H new ATOM 0 HD2 ARG A 70 10.652 -12.856 -7.259 1.00 24.24 H new ATOM 0 HD3 ARG A 70 10.399 -12.872 -5.525 1.00 24.24 H new ATOM 0 HE ARG A 70 12.616 -13.495 -5.228 1.00 45.45 H new ATOM 0 HH11 ARG A 70 11.592 -14.236 -8.525 1.00 52.43 H new ATOM 0 HH12 ARG A 70 13.212 -14.714 -9.042 1.00 52.43 H new ATOM 0 HH21 ARG A 70 14.693 -14.107 -5.902 1.00 1.22 H new ATOM 0 HH22 ARG A 70 14.959 -14.642 -7.565 1.00 1.22 H new ATOM 1069 N ARG A 71 6.678 -16.560 -4.909 1.00 44.52 N ATOM 1070 CA ARG A 71 6.423 -17.580 -3.899 1.00 31.45 C ATOM 1071 C ARG A 71 5.739 -18.796 -4.515 1.00 51.13 C ATOM 1072 O ARG A 71 5.894 -19.918 -4.034 1.00 14.10 O ATOM 1073 CB ARG A 71 5.560 -17.009 -2.774 1.00 64.52 C ATOM 1074 CG ARG A 71 5.071 -18.059 -1.790 1.00 74.34 C ATOM 1075 CD ARG A 71 3.690 -18.573 -2.161 1.00 5.31 C ATOM 1076 NE ARG A 71 2.778 -18.569 -1.021 1.00 41.43 N ATOM 1077 CZ ARG A 71 1.472 -18.788 -1.124 1.00 51.35 C ATOM 1078 NH1 ARG A 71 0.926 -19.028 -2.308 1.00 33.25 N ATOM 1079 NH2 ARG A 71 0.707 -18.768 -0.039 1.00 33.01 N ATOM 0 H ARG A 71 6.187 -15.680 -4.752 1.00 44.52 H new ATOM 0 HA ARG A 71 7.381 -17.895 -3.487 1.00 31.45 H new ATOM 0 HB2 ARG A 71 6.134 -16.256 -2.234 1.00 64.52 H new ATOM 0 HB3 ARG A 71 4.699 -16.502 -3.209 1.00 64.52 H new ATOM 0 HG2 ARG A 71 5.775 -18.891 -1.765 1.00 74.34 H new ATOM 0 HG3 ARG A 71 5.044 -17.634 -0.787 1.00 74.34 H new ATOM 0 HD2 ARG A 71 3.276 -17.956 -2.958 1.00 5.31 H new ATOM 0 HD3 ARG A 71 3.774 -19.586 -2.554 1.00 5.31 H new ATOM 0 HE ARG A 71 3.165 -18.388 -0.095 1.00 41.43 H new ATOM 0 HH11 ARG A 71 1.509 -19.045 -3.145 1.00 33.25 H new ATOM 0 HH12 ARG A 71 -0.077 -19.196 -2.382 1.00 33.25 H new ATOM 0 HH21 ARG A 71 1.122 -18.584 0.874 1.00 33.01 H new ATOM 0 HH22 ARG A 71 -0.296 -18.936 -0.119 1.00 33.01 H new ATOM 1093 N GLU A 72 4.979 -18.565 -5.581 1.00 31.12 N ATOM 1094 CA GLU A 72 4.269 -19.641 -6.261 1.00 24.42 C ATOM 1095 C GLU A 72 5.248 -20.580 -6.962 1.00 63.44 C ATOM 1096 O GLU A 72 5.276 -21.781 -6.691 1.00 21.31 O ATOM 1097 CB GLU A 72 3.279 -19.068 -7.277 1.00 72.33 C ATOM 1098 CG GLU A 72 2.549 -20.131 -8.081 1.00 43.35 C ATOM 1099 CD GLU A 72 1.169 -19.681 -8.523 1.00 63.15 C ATOM 1100 OE1 GLU A 72 0.265 -19.612 -7.664 1.00 40.24 O ATOM 1101 OE2 GLU A 72 0.994 -19.399 -9.726 1.00 64.13 O ATOM 0 H GLU A 72 4.839 -17.642 -5.992 1.00 31.12 H new ATOM 0 HA GLU A 72 3.719 -20.210 -5.511 1.00 24.42 H new ATOM 0 HB2 GLU A 72 2.547 -18.455 -6.752 1.00 72.33 H new ATOM 0 HB3 GLU A 72 3.814 -18.410 -7.962 1.00 72.33 H new ATOM 0 HG2 GLU A 72 3.142 -20.389 -8.959 1.00 43.35 H new ATOM 0 HG3 GLU A 72 2.457 -21.036 -7.481 1.00 43.35 H new ATOM 1108 N LYS A 73 6.048 -20.024 -7.866 1.00 44.15 N ATOM 1109 CA LYS A 73 7.028 -20.809 -8.607 1.00 22.10 C ATOM 1110 C LYS A 73 7.955 -21.559 -7.655 1.00 23.34 C ATOM 1111 O LYS A 73 8.366 -22.686 -7.934 1.00 62.15 O ATOM 1112 CB LYS A 73 7.848 -19.903 -9.527 1.00 54.13 C ATOM 1113 CG LYS A 73 7.007 -19.129 -10.527 1.00 72.32 C ATOM 1114 CD LYS A 73 7.385 -19.472 -11.957 1.00 31.12 C ATOM 1115 CE LYS A 73 6.452 -20.520 -12.544 1.00 61.15 C ATOM 1116 NZ LYS A 73 6.883 -20.948 -13.904 1.00 54.23 N ATOM 0 H LYS A 73 6.037 -19.032 -8.103 1.00 44.15 H new ATOM 0 HA LYS A 73 6.490 -21.538 -9.213 1.00 22.10 H new ATOM 0 HB2 LYS A 73 8.414 -19.198 -8.918 1.00 54.13 H new ATOM 0 HB3 LYS A 73 8.573 -20.510 -10.068 1.00 54.13 H new ATOM 0 HG2 LYS A 73 5.952 -19.351 -10.365 1.00 72.32 H new ATOM 0 HG3 LYS A 73 7.137 -18.059 -10.362 1.00 72.32 H new ATOM 0 HD2 LYS A 73 7.353 -18.571 -12.569 1.00 31.12 H new ATOM 0 HD3 LYS A 73 8.411 -19.840 -11.985 1.00 31.12 H new ATOM 0 HE2 LYS A 73 6.419 -21.387 -11.884 1.00 61.15 H new ATOM 0 HE3 LYS A 73 5.440 -20.118 -12.594 1.00 61.15 H new ATOM 0 HZ1 LYS A 73 6.221 -21.663 -14.269 1.00 54.23 H new ATOM 0 HZ2 LYS A 73 6.890 -20.126 -14.541 1.00 54.23 H new ATOM 0 HZ3 LYS A 73 7.839 -21.355 -13.853 1.00 54.23 H new ATOM 1130 N PHE A 74 8.280 -20.928 -6.532 1.00 1.33 N ATOM 1131 CA PHE A 74 9.158 -21.537 -5.540 1.00 54.24 C ATOM 1132 C PHE A 74 8.396 -22.545 -4.686 1.00 75.24 C ATOM 1133 O PHE A 74 8.978 -23.488 -4.151 1.00 33.23 O ATOM 1134 CB PHE A 74 9.776 -20.459 -4.647 1.00 34.32 C ATOM 1135 CG PHE A 74 11.265 -20.335 -4.802 1.00 32.32 C ATOM 1136 CD1 PHE A 74 12.117 -21.245 -4.197 1.00 30.13 C ATOM 1137 CD2 PHE A 74 11.814 -19.307 -5.553 1.00 51.45 C ATOM 1138 CE1 PHE A 74 13.487 -21.134 -4.338 1.00 14.25 C ATOM 1139 CE2 PHE A 74 13.184 -19.191 -5.697 1.00 50.23 C ATOM 1140 CZ PHE A 74 14.021 -20.105 -5.088 1.00 72.10 C ATOM 0 H PHE A 74 7.949 -19.995 -6.286 1.00 1.33 H new ATOM 0 HA PHE A 74 9.954 -22.063 -6.068 1.00 54.24 H new ATOM 0 HB2 PHE A 74 9.313 -19.499 -4.876 1.00 34.32 H new ATOM 0 HB3 PHE A 74 9.544 -20.684 -3.606 1.00 34.32 H new ATOM 0 HD1 PHE A 74 11.705 -22.051 -3.608 1.00 30.13 H new ATOM 0 HD2 PHE A 74 11.164 -18.589 -6.031 1.00 51.45 H new ATOM 0 HE1 PHE A 74 14.139 -21.851 -3.862 1.00 14.25 H new ATOM 0 HE2 PHE A 74 13.599 -18.386 -6.285 1.00 50.23 H new ATOM 0 HZ PHE A 74 15.092 -20.015 -5.198 1.00 72.10 H new ATOM 1150 N GLY A 75 7.089 -22.338 -4.559 1.00 23.13 N ATOM 1151 CA GLY A 75 6.268 -23.236 -3.768 1.00 24.32 C ATOM 1152 C GLY A 75 5.366 -22.497 -2.801 1.00 25.01 C ATOM 1153 O GLY A 75 4.229 -22.162 -3.135 1.00 11.22 O ATOM 0 H GLY A 75 6.584 -21.564 -4.990 1.00 23.13 H new ATOM 0 HA2 GLY A 75 5.658 -23.847 -4.434 1.00 24.32 H new ATOM 0 HA3 GLY A 75 6.912 -23.917 -3.211 1.00 24.32 H new ATOM 1157 N SER A 76 5.871 -22.243 -1.599 1.00 60.14 N ATOM 1158 CA SER A 76 5.100 -21.543 -0.578 1.00 21.11 C ATOM 1159 C SER A 76 6.024 -20.860 0.427 1.00 43.32 C ATOM 1160 O SER A 76 7.233 -21.091 0.432 1.00 42.24 O ATOM 1161 CB SER A 76 4.171 -22.518 0.148 1.00 4.41 C ATOM 1162 OG SER A 76 4.647 -23.848 0.046 1.00 4.12 O ATOM 0 H SER A 76 6.811 -22.511 -1.308 1.00 60.14 H new ATOM 0 HA SER A 76 4.499 -20.779 -1.072 1.00 21.11 H new ATOM 0 HB2 SER A 76 4.092 -22.236 1.198 1.00 4.41 H new ATOM 0 HB3 SER A 76 3.169 -22.454 -0.275 1.00 4.41 H new ATOM 0 HG SER A 76 4.037 -24.451 0.520 1.00 4.12 H new ATOM 1168 N SER A 77 5.443 -20.017 1.276 1.00 71.44 N ATOM 1169 CA SER A 77 6.214 -19.298 2.283 1.00 52.54 C ATOM 1170 C SER A 77 5.293 -18.508 3.209 1.00 42.44 C ATOM 1171 O SER A 77 4.438 -17.748 2.753 1.00 64.11 O ATOM 1172 CB SER A 77 7.213 -18.353 1.613 1.00 74.33 C ATOM 1173 OG SER A 77 7.677 -17.371 2.524 1.00 3.44 O ATOM 0 H SER A 77 4.443 -19.816 1.286 1.00 71.44 H new ATOM 0 HA SER A 77 6.760 -20.030 2.878 1.00 52.54 H new ATOM 0 HB2 SER A 77 8.058 -18.925 1.229 1.00 74.33 H new ATOM 0 HB3 SER A 77 6.742 -17.867 0.759 1.00 74.33 H new ATOM 0 HG SER A 77 8.636 -17.225 2.387 1.00 3.44 H new ATOM 1179 N LYS A 78 5.473 -18.693 4.512 1.00 0.02 N ATOM 1180 CA LYS A 78 4.661 -17.999 5.504 1.00 34.30 C ATOM 1181 C LYS A 78 4.953 -16.502 5.495 1.00 42.31 C ATOM 1182 O LYS A 78 4.036 -15.683 5.450 1.00 1.44 O ATOM 1183 CB LYS A 78 4.923 -18.572 6.899 1.00 73.30 C ATOM 1184 CG LYS A 78 3.875 -18.178 7.925 1.00 2.33 C ATOM 1185 CD LYS A 78 2.998 -19.358 8.308 1.00 30.03 C ATOM 1186 CE LYS A 78 1.559 -18.929 8.545 1.00 43.34 C ATOM 1187 NZ LYS A 78 0.869 -19.817 9.522 1.00 72.32 N ATOM 0 H LYS A 78 6.175 -19.319 4.906 1.00 0.02 H new ATOM 0 HA LYS A 78 3.612 -18.148 5.247 1.00 34.30 H new ATOM 0 HB2 LYS A 78 4.965 -19.659 6.834 1.00 73.30 H new ATOM 0 HB3 LYS A 78 5.901 -18.235 7.243 1.00 73.30 H new ATOM 0 HG2 LYS A 78 4.366 -17.784 8.815 1.00 2.33 H new ATOM 0 HG3 LYS A 78 3.254 -17.377 7.523 1.00 2.33 H new ATOM 0 HD2 LYS A 78 3.030 -20.108 7.518 1.00 30.03 H new ATOM 0 HD3 LYS A 78 3.392 -19.828 9.209 1.00 30.03 H new ATOM 0 HE2 LYS A 78 1.542 -17.903 8.912 1.00 43.34 H new ATOM 0 HE3 LYS A 78 1.017 -18.939 7.600 1.00 43.34 H new ATOM 0 HZ1 LYS A 78 -0.110 -19.491 9.656 1.00 72.32 H new ATOM 0 HZ2 LYS A 78 0.863 -20.792 9.161 1.00 72.32 H new ATOM 0 HZ3 LYS A 78 1.371 -19.788 10.432 1.00 72.32 H new ATOM 1201 N GLU A 79 6.235 -16.153 5.536 1.00 53.25 N ATOM 1202 CA GLU A 79 6.647 -14.754 5.532 1.00 44.42 C ATOM 1203 C GLU A 79 6.097 -14.029 4.306 1.00 20.44 C ATOM 1204 O GLU A 79 5.514 -12.952 4.418 1.00 44.31 O ATOM 1205 CB GLU A 79 8.172 -14.647 5.561 1.00 63.21 C ATOM 1206 CG GLU A 79 8.773 -14.901 6.933 1.00 15.24 C ATOM 1207 CD GLU A 79 10.221 -14.457 7.027 1.00 24.12 C ATOM 1208 OE1 GLU A 79 11.052 -15.246 7.521 1.00 72.35 O ATOM 1209 OE2 GLU A 79 10.522 -13.321 6.605 1.00 21.22 O ATOM 0 H GLU A 79 7.006 -16.820 5.572 1.00 53.25 H new ATOM 0 HA GLU A 79 6.241 -14.280 6.426 1.00 44.42 H new ATOM 0 HB2 GLU A 79 8.592 -15.361 4.852 1.00 63.21 H new ATOM 0 HB3 GLU A 79 8.465 -13.653 5.224 1.00 63.21 H new ATOM 0 HG2 GLU A 79 8.186 -14.375 7.686 1.00 15.24 H new ATOM 0 HG3 GLU A 79 8.707 -15.964 7.163 1.00 15.24 H new ATOM 1216 N ILE A 80 6.292 -14.630 3.136 1.00 45.22 N ATOM 1217 CA ILE A 80 5.816 -14.043 1.889 1.00 31.44 C ATOM 1218 C ILE A 80 4.298 -13.899 1.893 1.00 41.11 C ATOM 1219 O ILE A 80 3.767 -12.816 1.647 1.00 50.32 O ATOM 1220 CB ILE A 80 6.237 -14.889 0.673 1.00 41.21 C ATOM 1221 CG1 ILE A 80 7.761 -15.026 0.622 1.00 50.23 C ATOM 1222 CG2 ILE A 80 5.713 -14.266 -0.612 1.00 22.14 C ATOM 1223 CD1 ILE A 80 8.242 -16.060 -0.372 1.00 41.44 C ATOM 0 H ILE A 80 6.775 -15.521 3.026 1.00 45.22 H new ATOM 0 HA ILE A 80 6.272 -13.056 1.810 1.00 31.44 H new ATOM 0 HB ILE A 80 5.805 -15.884 0.774 1.00 41.21 H new ATOM 0 HG12 ILE A 80 8.196 -14.060 0.368 1.00 50.23 H new ATOM 0 HG13 ILE A 80 8.127 -15.290 1.614 1.00 50.23 H new ATOM 0 HG21 ILE A 80 6.019 -14.875 -1.463 1.00 22.14 H new ATOM 0 HG22 ILE A 80 4.625 -14.215 -0.574 1.00 22.14 H new ATOM 0 HG23 ILE A 80 6.120 -13.261 -0.721 1.00 22.14 H new ATOM 0 HD11 ILE A 80 9.331 -16.103 -0.354 1.00 41.44 H new ATOM 0 HD12 ILE A 80 7.836 -17.036 -0.107 1.00 41.44 H new ATOM 0 HD13 ILE A 80 7.906 -15.787 -1.372 1.00 41.44 H new ATOM 1235 N ASP A 81 3.606 -14.997 2.174 1.00 55.31 N ATOM 1236 CA ASP A 81 2.148 -14.992 2.213 1.00 33.01 C ATOM 1237 C ASP A 81 1.632 -13.876 3.117 1.00 22.02 C ATOM 1238 O ASP A 81 0.599 -13.269 2.839 1.00 41.34 O ATOM 1239 CB ASP A 81 1.626 -16.343 2.703 1.00 64.52 C ATOM 1240 CG ASP A 81 0.133 -16.327 2.966 1.00 3.12 C ATOM 1241 OD1 ASP A 81 -0.267 -16.508 4.135 1.00 54.41 O ATOM 1242 OD2 ASP A 81 -0.637 -16.133 2.001 1.00 14.51 O ATOM 0 H ASP A 81 4.030 -15.902 2.378 1.00 55.31 H new ATOM 0 HA ASP A 81 1.783 -14.814 1.202 1.00 33.01 H new ATOM 0 HB2 ASP A 81 1.853 -17.108 1.960 1.00 64.52 H new ATOM 0 HB3 ASP A 81 2.150 -16.622 3.617 1.00 64.52 H new ATOM 1247 N MET A 82 2.359 -13.613 4.198 1.00 5.13 N ATOM 1248 CA MET A 82 1.974 -12.570 5.141 1.00 2.53 C ATOM 1249 C MET A 82 2.027 -11.195 4.483 1.00 12.14 C ATOM 1250 O MET A 82 1.039 -10.462 4.474 1.00 2.24 O ATOM 1251 CB MET A 82 2.889 -12.597 6.367 1.00 25.53 C ATOM 1252 CG MET A 82 2.447 -13.588 7.432 1.00 10.25 C ATOM 1253 SD MET A 82 3.273 -13.322 9.013 1.00 10.33 S ATOM 1254 CE MET A 82 3.942 -14.954 9.324 1.00 71.01 C ATOM 0 H MET A 82 3.217 -14.107 4.442 1.00 5.13 H new ATOM 0 HA MET A 82 0.949 -12.762 5.458 1.00 2.53 H new ATOM 0 HB2 MET A 82 3.902 -12.845 6.049 1.00 25.53 H new ATOM 0 HB3 MET A 82 2.927 -11.599 6.804 1.00 25.53 H new ATOM 0 HG2 MET A 82 1.369 -13.509 7.572 1.00 10.25 H new ATOM 0 HG3 MET A 82 2.650 -14.602 7.086 1.00 10.25 H new ATOM 0 HE1 MET A 82 4.483 -14.951 10.270 1.00 71.01 H new ATOM 0 HE2 MET A 82 3.128 -15.677 9.374 1.00 71.01 H new ATOM 0 HE3 MET A 82 4.622 -15.228 8.518 1.00 71.01 H new ATOM 1264 N ALA A 83 3.188 -10.852 3.934 1.00 13.45 N ATOM 1265 CA ALA A 83 3.371 -9.565 3.273 1.00 43.43 C ATOM 1266 C ALA A 83 2.277 -9.321 2.239 1.00 10.31 C ATOM 1267 O ALA A 83 1.837 -8.187 2.042 1.00 74.32 O ATOM 1268 CB ALA A 83 4.743 -9.498 2.619 1.00 54.45 C ATOM 0 H ALA A 83 4.016 -11.448 3.934 1.00 13.45 H new ATOM 0 HA ALA A 83 3.303 -8.782 4.028 1.00 43.43 H new ATOM 0 HB1 ALA A 83 4.866 -8.532 2.129 1.00 54.45 H new ATOM 0 HB2 ALA A 83 5.515 -9.620 3.379 1.00 54.45 H new ATOM 0 HB3 ALA A 83 4.833 -10.294 1.879 1.00 54.45 H new ATOM 1274 N ILE A 84 1.842 -10.389 1.579 1.00 34.22 N ATOM 1275 CA ILE A 84 0.800 -10.289 0.565 1.00 22.12 C ATOM 1276 C ILE A 84 -0.523 -9.847 1.179 1.00 41.34 C ATOM 1277 O ILE A 84 -1.100 -8.836 0.776 1.00 33.30 O ATOM 1278 CB ILE A 84 0.593 -11.631 -0.163 1.00 41.35 C ATOM 1279 CG1 ILE A 84 1.895 -12.082 -0.827 1.00 3.34 C ATOM 1280 CG2 ILE A 84 -0.520 -11.508 -1.193 1.00 12.42 C ATOM 1281 CD1 ILE A 84 1.930 -13.560 -1.145 1.00 20.40 C ATOM 0 H ILE A 84 2.195 -11.334 1.729 1.00 34.22 H new ATOM 0 HA ILE A 84 1.131 -9.541 -0.156 1.00 22.12 H new ATOM 0 HB ILE A 84 0.302 -12.384 0.569 1.00 41.35 H new ATOM 0 HG12 ILE A 84 2.039 -11.517 -1.748 1.00 3.34 H new ATOM 0 HG13 ILE A 84 2.731 -11.840 -0.171 1.00 3.34 H new ATOM 0 HG21 ILE A 84 -0.655 -12.464 -1.699 1.00 12.42 H new ATOM 0 HG22 ILE A 84 -1.448 -11.228 -0.694 1.00 12.42 H new ATOM 0 HG23 ILE A 84 -0.256 -10.744 -1.924 1.00 12.42 H new ATOM 0 HD11 ILE A 84 2.882 -13.809 -1.614 1.00 20.40 H new ATOM 0 HD12 ILE A 84 1.818 -14.133 -0.225 1.00 20.40 H new ATOM 0 HD13 ILE A 84 1.115 -13.805 -1.826 1.00 20.40 H new ATOM 1293 N VAL A 85 -1.000 -10.610 2.159 1.00 12.54 N ATOM 1294 CA VAL A 85 -2.254 -10.294 2.831 1.00 61.44 C ATOM 1295 C VAL A 85 -2.210 -8.902 3.452 1.00 63.43 C ATOM 1296 O VAL A 85 -3.238 -8.235 3.579 1.00 14.55 O ATOM 1297 CB VAL A 85 -2.576 -11.324 3.930 1.00 23.33 C ATOM 1298 CG1 VAL A 85 -3.970 -11.090 4.491 1.00 12.22 C ATOM 1299 CG2 VAL A 85 -2.441 -12.740 3.389 1.00 1.44 C ATOM 0 H VAL A 85 -0.536 -11.450 2.504 1.00 12.54 H new ATOM 0 HA VAL A 85 -3.036 -10.325 2.072 1.00 61.44 H new ATOM 0 HB VAL A 85 -1.859 -11.199 4.741 1.00 23.33 H new ATOM 0 HG11 VAL A 85 -4.179 -11.828 5.266 1.00 12.22 H new ATOM 0 HG12 VAL A 85 -4.027 -10.089 4.918 1.00 12.22 H new ATOM 0 HG13 VAL A 85 -4.705 -11.186 3.692 1.00 12.22 H new ATOM 0 HG21 VAL A 85 -2.672 -13.455 4.179 1.00 1.44 H new ATOM 0 HG22 VAL A 85 -3.133 -12.880 2.559 1.00 1.44 H new ATOM 0 HG23 VAL A 85 -1.421 -12.901 3.041 1.00 1.44 H new ATOM 1309 N THR A 86 -1.014 -8.470 3.838 1.00 10.44 N ATOM 1310 CA THR A 86 -0.836 -7.158 4.446 1.00 2.44 C ATOM 1311 C THR A 86 -1.163 -6.044 3.458 1.00 25.15 C ATOM 1312 O THR A 86 -1.982 -5.169 3.740 1.00 52.03 O ATOM 1313 CB THR A 86 0.603 -6.967 4.959 1.00 31.14 C ATOM 1314 OG1 THR A 86 0.999 -8.098 5.742 1.00 73.12 O ATOM 1315 CG2 THR A 86 0.718 -5.700 5.793 1.00 11.21 C ATOM 0 H THR A 86 -0.154 -9.010 3.740 1.00 10.44 H new ATOM 0 HA THR A 86 -1.525 -7.105 5.289 1.00 2.44 H new ATOM 0 HB THR A 86 1.263 -6.875 4.096 1.00 31.14 H new ATOM 0 HG1 THR A 86 1.255 -8.834 5.148 1.00 73.12 H new ATOM 0 HG21 THR A 86 1.744 -5.587 6.144 1.00 11.21 H new ATOM 0 HG22 THR A 86 0.446 -4.838 5.184 1.00 11.21 H new ATOM 0 HG23 THR A 86 0.047 -5.766 6.649 1.00 11.21 H new ATOM 1323 N LEU A 87 -0.518 -6.082 2.296 1.00 44.31 N ATOM 1324 CA LEU A 87 -0.742 -5.076 1.263 1.00 74.22 C ATOM 1325 C LEU A 87 -2.168 -5.152 0.728 1.00 73.35 C ATOM 1326 O LEU A 87 -2.698 -4.173 0.203 1.00 71.44 O ATOM 1327 CB LEU A 87 0.255 -5.262 0.118 1.00 35.45 C ATOM 1328 CG LEU A 87 1.680 -4.774 0.383 1.00 74.33 C ATOM 1329 CD1 LEU A 87 2.685 -5.614 -0.390 1.00 44.11 C ATOM 1330 CD2 LEU A 87 1.817 -3.303 0.016 1.00 4.14 C ATOM 0 H LEU A 87 0.164 -6.798 2.046 1.00 44.31 H new ATOM 0 HA LEU A 87 -0.594 -4.093 1.710 1.00 74.22 H new ATOM 0 HB2 LEU A 87 0.296 -6.322 -0.133 1.00 35.45 H new ATOM 0 HB3 LEU A 87 -0.129 -4.741 -0.759 1.00 35.45 H new ATOM 0 HG LEU A 87 1.889 -4.884 1.447 1.00 74.33 H new ATOM 0 HD11 LEU A 87 3.693 -5.252 -0.189 1.00 44.11 H new ATOM 0 HD12 LEU A 87 2.605 -6.655 -0.079 1.00 44.11 H new ATOM 0 HD13 LEU A 87 2.478 -5.538 -1.458 1.00 44.11 H new ATOM 0 HD21 LEU A 87 2.837 -2.973 0.211 1.00 4.14 H new ATOM 0 HD22 LEU A 87 1.588 -3.169 -1.041 1.00 4.14 H new ATOM 0 HD23 LEU A 87 1.124 -2.712 0.615 1.00 4.14 H new ATOM 1342 N LYS A 88 -2.784 -6.321 0.867 1.00 51.44 N ATOM 1343 CA LYS A 88 -4.151 -6.525 0.401 1.00 10.41 C ATOM 1344 C LYS A 88 -5.141 -5.745 1.261 1.00 24.10 C ATOM 1345 O LYS A 88 -5.836 -4.854 0.771 1.00 61.12 O ATOM 1346 CB LYS A 88 -4.502 -8.014 0.424 1.00 41.25 C ATOM 1347 CG LYS A 88 -4.754 -8.601 -0.954 1.00 21.44 C ATOM 1348 CD LYS A 88 -4.042 -9.931 -1.132 1.00 72.41 C ATOM 1349 CE LYS A 88 -4.578 -10.695 -2.333 1.00 50.53 C ATOM 1350 NZ LYS A 88 -4.051 -12.086 -2.386 1.00 25.25 N ATOM 0 H LYS A 88 -2.359 -7.142 1.298 1.00 51.44 H new ATOM 0 HA LYS A 88 -4.218 -6.158 -0.623 1.00 10.41 H new ATOM 0 HB2 LYS A 88 -3.690 -8.563 0.900 1.00 41.25 H new ATOM 0 HB3 LYS A 88 -5.389 -8.160 1.040 1.00 41.25 H new ATOM 0 HG2 LYS A 88 -5.825 -8.738 -1.102 1.00 21.44 H new ATOM 0 HG3 LYS A 88 -4.414 -7.900 -1.717 1.00 21.44 H new ATOM 0 HD2 LYS A 88 -2.973 -9.759 -1.257 1.00 72.41 H new ATOM 0 HD3 LYS A 88 -4.165 -10.534 -0.232 1.00 72.41 H new ATOM 0 HE2 LYS A 88 -5.667 -10.721 -2.291 1.00 50.53 H new ATOM 0 HE3 LYS A 88 -4.307 -10.169 -3.248 1.00 50.53 H new ATOM 0 HZ1 LYS A 88 -4.752 -12.706 -2.841 1.00 25.25 H new ATOM 0 HZ2 LYS A 88 -3.167 -12.102 -2.934 1.00 25.25 H new ATOM 0 HZ3 LYS A 88 -3.865 -12.424 -1.420 1.00 25.25 H new ATOM 1364 N VAL A 89 -5.199 -6.085 2.544 1.00 41.50 N ATOM 1365 CA VAL A 89 -6.102 -5.414 3.472 1.00 44.33 C ATOM 1366 C VAL A 89 -5.881 -3.906 3.461 1.00 42.52 C ATOM 1367 O VAL A 89 -6.834 -3.128 3.519 1.00 42.34 O ATOM 1368 CB VAL A 89 -5.921 -5.939 4.909 1.00 14.33 C ATOM 1369 CG1 VAL A 89 -4.467 -5.822 5.340 1.00 35.13 C ATOM 1370 CG2 VAL A 89 -6.831 -5.186 5.869 1.00 62.55 C ATOM 0 H VAL A 89 -4.632 -6.821 2.965 1.00 41.50 H new ATOM 0 HA VAL A 89 -7.117 -5.631 3.139 1.00 44.33 H new ATOM 0 HB VAL A 89 -6.199 -6.993 4.931 1.00 14.33 H new ATOM 0 HG11 VAL A 89 -4.358 -6.197 6.357 1.00 35.13 H new ATOM 0 HG12 VAL A 89 -3.840 -6.408 4.668 1.00 35.13 H new ATOM 0 HG13 VAL A 89 -4.160 -4.777 5.304 1.00 35.13 H new ATOM 0 HG21 VAL A 89 -6.691 -5.569 6.880 1.00 62.55 H new ATOM 0 HG22 VAL A 89 -6.585 -4.124 5.846 1.00 62.55 H new ATOM 0 HG23 VAL A 89 -7.870 -5.324 5.570 1.00 62.55 H new ATOM 1380 N PHE A 90 -4.619 -3.499 3.386 1.00 10.43 N ATOM 1381 CA PHE A 90 -4.273 -2.083 3.367 1.00 34.33 C ATOM 1382 C PHE A 90 -4.698 -1.435 2.052 1.00 72.54 C ATOM 1383 O PHE A 90 -5.099 -0.273 2.022 1.00 11.41 O ATOM 1384 CB PHE A 90 -2.767 -1.901 3.574 1.00 73.23 C ATOM 1385 CG PHE A 90 -2.311 -0.476 3.447 1.00 41.34 C ATOM 1386 CD1 PHE A 90 -2.001 0.058 2.207 1.00 23.03 C ATOM 1387 CD2 PHE A 90 -2.194 0.330 4.568 1.00 44.22 C ATOM 1388 CE1 PHE A 90 -1.582 1.370 2.086 1.00 20.45 C ATOM 1389 CE2 PHE A 90 -1.776 1.642 4.453 1.00 53.42 C ATOM 1390 CZ PHE A 90 -1.468 2.162 3.211 1.00 1.31 C ATOM 0 H PHE A 90 -3.819 -4.130 3.337 1.00 10.43 H new ATOM 0 HA PHE A 90 -4.807 -1.594 4.182 1.00 34.33 H new ATOM 0 HB2 PHE A 90 -2.497 -2.274 4.562 1.00 73.23 H new ATOM 0 HB3 PHE A 90 -2.232 -2.511 2.846 1.00 73.23 H new ATOM 0 HD1 PHE A 90 -2.088 -0.558 1.324 1.00 23.03 H new ATOM 0 HD2 PHE A 90 -2.432 -0.071 5.542 1.00 44.22 H new ATOM 0 HE1 PHE A 90 -1.344 1.775 1.113 1.00 20.45 H new ATOM 0 HE2 PHE A 90 -1.690 2.261 5.334 1.00 53.42 H new ATOM 0 HZ PHE A 90 -1.139 3.186 3.120 1.00 1.31 H new ATOM 1400 N ALA A 91 -4.607 -2.198 0.968 1.00 0.22 N ATOM 1401 CA ALA A 91 -4.984 -1.701 -0.350 1.00 74.30 C ATOM 1402 C ALA A 91 -6.477 -1.399 -0.415 1.00 31.13 C ATOM 1403 O ALA A 91 -6.882 -0.302 -0.802 1.00 44.22 O ATOM 1404 CB ALA A 91 -4.599 -2.707 -1.423 1.00 2.21 C ATOM 0 H ALA A 91 -4.276 -3.163 0.976 1.00 0.22 H new ATOM 0 HA ALA A 91 -4.444 -0.771 -0.530 1.00 74.30 H new ATOM 0 HB1 ALA A 91 -4.886 -2.323 -2.402 1.00 2.21 H new ATOM 0 HB2 ALA A 91 -3.522 -2.870 -1.399 1.00 2.21 H new ATOM 0 HB3 ALA A 91 -5.113 -3.650 -1.238 1.00 2.21 H new ATOM 1410 N VAL A 92 -7.292 -2.379 -0.038 1.00 53.41 N ATOM 1411 CA VAL A 92 -8.741 -2.217 -0.053 1.00 5.34 C ATOM 1412 C VAL A 92 -9.198 -1.249 1.031 1.00 74.14 C ATOM 1413 O VAL A 92 -9.877 -0.262 0.750 1.00 53.35 O ATOM 1414 CB VAL A 92 -9.459 -3.566 0.142 1.00 33.45 C ATOM 1415 CG1 VAL A 92 -10.965 -3.393 0.024 1.00 14.10 C ATOM 1416 CG2 VAL A 92 -8.951 -4.589 -0.864 1.00 32.21 C ATOM 0 H VAL A 92 -6.973 -3.294 0.282 1.00 53.41 H new ATOM 0 HA VAL A 92 -9.003 -1.812 -1.030 1.00 5.34 H new ATOM 0 HB VAL A 92 -9.238 -3.934 1.144 1.00 33.45 H new ATOM 0 HG11 VAL A 92 -11.454 -4.357 0.165 1.00 14.10 H new ATOM 0 HG12 VAL A 92 -11.312 -2.695 0.786 1.00 14.10 H new ATOM 0 HG13 VAL A 92 -11.210 -3.003 -0.964 1.00 14.10 H new ATOM 0 HG21 VAL A 92 -9.468 -5.536 -0.712 1.00 32.21 H new ATOM 0 HG22 VAL A 92 -9.140 -4.230 -1.875 1.00 32.21 H new ATOM 0 HG23 VAL A 92 -7.880 -4.735 -0.725 1.00 32.21 H new ATOM 1426 N ALA A 93 -8.822 -1.539 2.273 1.00 22.12 N ATOM 1427 CA ALA A 93 -9.191 -0.692 3.400 1.00 4.23 C ATOM 1428 C ALA A 93 -8.554 0.688 3.283 1.00 0.15 C ATOM 1429 O ALA A 93 -8.938 1.621 3.985 1.00 14.14 O ATOM 1430 CB ALA A 93 -8.787 -1.352 4.710 1.00 20.23 C ATOM 0 H ALA A 93 -8.262 -2.354 2.523 1.00 22.12 H new ATOM 0 HA ALA A 93 -10.274 -0.565 3.387 1.00 4.23 H new ATOM 0 HB1 ALA A 93 -9.068 -0.709 5.544 1.00 20.23 H new ATOM 0 HB2 ALA A 93 -9.294 -2.312 4.805 1.00 20.23 H new ATOM 0 HB3 ALA A 93 -7.708 -1.509 4.721 1.00 20.23 H new ATOM 1436 N GLY A 94 -7.576 0.809 2.389 1.00 43.33 N ATOM 1437 CA GLY A 94 -6.901 2.079 2.196 1.00 73.22 C ATOM 1438 C GLY A 94 -7.419 2.835 0.988 1.00 53.14 C ATOM 1439 O GLY A 94 -8.124 3.835 1.129 1.00 43.24 O ATOM 0 H GLY A 94 -7.240 0.050 1.796 1.00 43.33 H new ATOM 0 HA2 GLY A 94 -7.029 2.694 3.087 1.00 73.22 H new ATOM 0 HA3 GLY A 94 -5.831 1.904 2.080 1.00 73.22 H new ATOM 1443 N LEU A 95 -7.069 2.358 -0.200 1.00 31.22 N ATOM 1444 CA LEU A 95 -7.502 2.996 -1.439 1.00 40.11 C ATOM 1445 C LEU A 95 -9.024 3.022 -1.533 1.00 3.52 C ATOM 1446 O LEU A 95 -9.615 4.030 -1.926 1.00 2.32 O ATOM 1447 CB LEU A 95 -6.917 2.262 -2.646 1.00 2.02 C ATOM 1448 CG LEU A 95 -5.435 2.511 -2.930 1.00 51.10 C ATOM 1449 CD1 LEU A 95 -5.158 4.002 -3.049 1.00 44.01 C ATOM 1450 CD2 LEU A 95 -4.571 1.892 -1.842 1.00 52.04 C ATOM 0 H LEU A 95 -6.486 1.531 -0.333 1.00 31.22 H new ATOM 0 HA LEU A 95 -7.138 4.024 -1.437 1.00 40.11 H new ATOM 0 HB2 LEU A 95 -7.064 1.192 -2.501 1.00 2.02 H new ATOM 0 HB3 LEU A 95 -7.488 2.545 -3.530 1.00 2.02 H new ATOM 0 HG LEU A 95 -5.183 2.038 -3.879 1.00 51.10 H new ATOM 0 HD11 LEU A 95 -4.099 4.160 -3.251 1.00 44.01 H new ATOM 0 HD12 LEU A 95 -5.749 4.418 -3.865 1.00 44.01 H new ATOM 0 HD13 LEU A 95 -5.427 4.498 -2.116 1.00 44.01 H new ATOM 0 HD21 LEU A 95 -3.520 2.080 -2.061 1.00 52.04 H new ATOM 0 HD22 LEU A 95 -4.825 2.335 -0.879 1.00 52.04 H new ATOM 0 HD23 LEU A 95 -4.748 0.817 -1.805 1.00 52.04 H new ATOM 1462 N LEU A 96 -9.653 1.910 -1.171 1.00 54.44 N ATOM 1463 CA LEU A 96 -11.108 1.806 -1.213 1.00 52.23 C ATOM 1464 C LEU A 96 -11.724 2.261 0.107 1.00 44.45 C ATOM 1465 O LEU A 96 -12.945 2.331 0.240 1.00 53.24 O ATOM 1466 CB LEU A 96 -11.527 0.367 -1.516 1.00 71.21 C ATOM 1467 CG LEU A 96 -12.609 0.194 -2.582 1.00 41.01 C ATOM 1468 CD1 LEU A 96 -12.035 -0.476 -3.821 1.00 1.10 C ATOM 1469 CD2 LEU A 96 -13.777 -0.612 -2.032 1.00 75.11 C ATOM 0 H LEU A 96 -9.179 1.068 -0.845 1.00 54.44 H new ATOM 0 HA LEU A 96 -11.472 2.458 -2.007 1.00 52.23 H new ATOM 0 HB2 LEU A 96 -10.644 -0.189 -1.830 1.00 71.21 H new ATOM 0 HB3 LEU A 96 -11.880 -0.090 -0.591 1.00 71.21 H new ATOM 0 HG LEU A 96 -12.975 1.181 -2.863 1.00 41.01 H new ATOM 0 HD11 LEU A 96 -12.820 -0.591 -4.569 1.00 1.10 H new ATOM 0 HD12 LEU A 96 -11.232 0.139 -4.228 1.00 1.10 H new ATOM 0 HD13 LEU A 96 -11.641 -1.457 -3.555 1.00 1.10 H new ATOM 0 HD21 LEU A 96 -14.537 -0.725 -2.805 1.00 75.11 H new ATOM 0 HD22 LEU A 96 -13.426 -1.596 -1.722 1.00 75.11 H new ATOM 0 HD23 LEU A 96 -14.206 -0.093 -1.175 1.00 75.11 H new ATOM 1481 N ASN A 97 -10.871 2.570 1.078 1.00 64.04 N ATOM 1482 CA ASN A 97 -11.332 3.018 2.386 1.00 54.23 C ATOM 1483 C ASN A 97 -12.386 2.069 2.947 1.00 45.24 C ATOM 1484 O ASN A 97 -13.281 2.484 3.684 1.00 31.51 O ATOM 1485 CB ASN A 97 -11.904 4.435 2.290 1.00 44.15 C ATOM 1486 CG ASN A 97 -10.823 5.498 2.314 1.00 42.22 C ATOM 1487 OD1 ASN A 97 -9.918 5.459 3.147 1.00 55.44 O ATOM 1488 ND2 ASN A 97 -10.913 6.453 1.396 1.00 52.35 N ATOM 0 H ASN A 97 -9.857 2.518 0.983 1.00 64.04 H new ATOM 0 HA ASN A 97 -10.477 3.023 3.063 1.00 54.23 H new ATOM 0 HB2 ASN A 97 -12.482 4.529 1.371 1.00 44.15 H new ATOM 0 HB3 ASN A 97 -12.593 4.603 3.118 1.00 44.15 H new ATOM 0 HD21 ASN A 97 -10.214 7.195 1.362 1.00 52.35 H new ATOM 0 HD22 ASN A 97 -11.681 6.445 0.725 1.00 52.35 H new ATOM 1495 N MET A 98 -12.275 0.793 2.592 1.00 52.25 N ATOM 1496 CA MET A 98 -13.217 -0.216 3.062 1.00 4.40 C ATOM 1497 C MET A 98 -12.819 -0.731 4.441 1.00 45.24 C ATOM 1498 O MET A 98 -11.847 -0.264 5.033 1.00 35.40 O ATOM 1499 CB MET A 98 -13.288 -1.379 2.070 1.00 44.53 C ATOM 1500 CG MET A 98 -14.705 -1.854 1.791 1.00 23.12 C ATOM 1501 SD MET A 98 -14.807 -2.919 0.339 1.00 42.13 S ATOM 1502 CE MET A 98 -14.809 -4.537 1.106 1.00 74.42 C ATOM 0 H MET A 98 -11.542 0.433 1.980 1.00 52.25 H new ATOM 0 HA MET A 98 -14.201 0.248 3.138 1.00 4.40 H new ATOM 0 HB2 MET A 98 -12.824 -1.074 1.132 1.00 44.53 H new ATOM 0 HB3 MET A 98 -12.704 -2.213 2.458 1.00 44.53 H new ATOM 0 HG2 MET A 98 -15.081 -2.394 2.660 1.00 23.12 H new ATOM 0 HG3 MET A 98 -15.353 -0.989 1.649 1.00 23.12 H new ATOM 0 HE1 MET A 98 -14.026 -5.151 0.662 1.00 74.42 H new ATOM 0 HE2 MET A 98 -14.626 -4.433 2.175 1.00 74.42 H new ATOM 0 HE3 MET A 98 -15.777 -5.013 0.948 1.00 74.42 H new ATOM 1512 N THR A 99 -13.579 -1.697 4.948 1.00 63.42 N ATOM 1513 CA THR A 99 -13.307 -2.276 6.258 1.00 70.02 C ATOM 1514 C THR A 99 -13.402 -3.797 6.218 1.00 43.54 C ATOM 1515 O THR A 99 -14.344 -4.383 6.751 1.00 43.14 O ATOM 1516 CB THR A 99 -14.282 -1.738 7.323 1.00 24.41 C ATOM 1517 OG1 THR A 99 -15.633 -1.996 6.924 1.00 4.22 O ATOM 1518 CG2 THR A 99 -14.085 -0.245 7.532 1.00 63.22 C ATOM 0 H THR A 99 -14.388 -2.095 4.471 1.00 63.42 H new ATOM 0 HA THR A 99 -12.291 -1.986 6.527 1.00 70.02 H new ATOM 0 HB THR A 99 -14.077 -2.250 8.264 1.00 24.41 H new ATOM 0 HG1 THR A 99 -15.774 -2.963 6.852 1.00 4.22 H new ATOM 0 HG21 THR A 99 -14.784 0.112 8.288 1.00 63.22 H new ATOM 0 HG22 THR A 99 -13.064 -0.056 7.864 1.00 63.22 H new ATOM 0 HG23 THR A 99 -14.265 0.281 6.594 1.00 63.22 H new ATOM 1526 N VAL A 100 -12.421 -4.430 5.584 1.00 63.35 N ATOM 1527 CA VAL A 100 -12.394 -5.884 5.477 1.00 25.42 C ATOM 1528 C VAL A 100 -12.361 -6.536 6.855 1.00 22.30 C ATOM 1529 O VAL A 100 -12.693 -7.712 7.004 1.00 75.00 O ATOM 1530 CB VAL A 100 -11.176 -6.364 4.665 1.00 2.11 C ATOM 1531 CG1 VAL A 100 -11.196 -5.763 3.268 1.00 1.12 C ATOM 1532 CG2 VAL A 100 -9.883 -6.015 5.387 1.00 50.30 C ATOM 0 H VAL A 100 -11.634 -3.959 5.137 1.00 63.35 H new ATOM 0 HA VAL A 100 -13.306 -6.181 4.960 1.00 25.42 H new ATOM 0 HB VAL A 100 -11.229 -7.448 4.569 1.00 2.11 H new ATOM 0 HG11 VAL A 100 -10.328 -6.113 2.709 1.00 1.12 H new ATOM 0 HG12 VAL A 100 -12.107 -6.069 2.753 1.00 1.12 H new ATOM 0 HG13 VAL A 100 -11.167 -4.676 3.339 1.00 1.12 H new ATOM 0 HG21 VAL A 100 -9.033 -6.362 4.799 1.00 50.30 H new ATOM 0 HG22 VAL A 100 -9.819 -4.935 5.516 1.00 50.30 H new ATOM 0 HG23 VAL A 100 -9.870 -6.499 6.364 1.00 50.30 H new ATOM 1542 N SER A 101 -11.958 -5.764 7.859 1.00 63.52 N ATOM 1543 CA SER A 101 -11.879 -6.268 9.226 1.00 42.30 C ATOM 1544 C SER A 101 -10.702 -7.225 9.384 1.00 34.43 C ATOM 1545 O SER A 101 -9.720 -6.915 10.059 1.00 21.43 O ATOM 1546 CB SER A 101 -13.181 -6.974 9.607 1.00 74.45 C ATOM 1547 OG SER A 101 -14.304 -6.306 9.059 1.00 74.42 O ATOM 0 H SER A 101 -11.681 -4.788 7.752 1.00 63.52 H new ATOM 0 HA SER A 101 -11.726 -5.419 9.893 1.00 42.30 H new ATOM 0 HB2 SER A 101 -13.157 -8.004 9.251 1.00 74.45 H new ATOM 0 HB3 SER A 101 -13.272 -7.014 10.692 1.00 74.45 H new ATOM 0 HG SER A 101 -15.123 -6.778 9.316 1.00 74.42 H new ATOM 1553 N THR A 102 -10.808 -8.393 8.756 1.00 14.35 N ATOM 1554 CA THR A 102 -9.754 -9.397 8.828 1.00 44.51 C ATOM 1555 C THR A 102 -8.944 -9.435 7.537 1.00 31.51 C ATOM 1556 O THR A 102 -9.503 -9.462 6.441 1.00 72.31 O ATOM 1557 CB THR A 102 -10.332 -10.799 9.098 1.00 60.14 C ATOM 1558 OG1 THR A 102 -10.986 -11.295 7.925 1.00 3.54 O ATOM 1559 CG2 THR A 102 -11.318 -10.763 10.256 1.00 53.35 C ATOM 0 H THR A 102 -11.613 -8.666 8.192 1.00 14.35 H new ATOM 0 HA THR A 102 -9.103 -9.114 9.655 1.00 44.51 H new ATOM 0 HB THR A 102 -9.508 -11.462 9.362 1.00 60.14 H new ATOM 0 HG1 THR A 102 -11.817 -11.747 8.180 1.00 3.54 H new ATOM 0 HG21 THR A 102 -11.713 -11.764 10.429 1.00 53.35 H new ATOM 0 HG22 THR A 102 -10.811 -10.413 11.155 1.00 53.35 H new ATOM 0 HG23 THR A 102 -12.137 -10.086 10.015 1.00 53.35 H new ATOM 1567 N ALA A 103 -7.621 -9.438 7.675 1.00 23.21 N ATOM 1568 CA ALA A 103 -6.733 -9.477 6.520 1.00 30.12 C ATOM 1569 C ALA A 103 -7.073 -10.647 5.604 1.00 45.23 C ATOM 1570 O ALA A 103 -6.824 -10.598 4.400 1.00 64.11 O ATOM 1571 CB ALA A 103 -5.283 -9.561 6.973 1.00 24.44 C ATOM 0 H ALA A 103 -7.142 -9.414 8.575 1.00 23.21 H new ATOM 0 HA ALA A 103 -6.873 -8.556 5.954 1.00 30.12 H new ATOM 0 HB1 ALA A 103 -4.630 -9.589 6.100 1.00 24.44 H new ATOM 0 HB2 ALA A 103 -5.040 -8.688 7.580 1.00 24.44 H new ATOM 0 HB3 ALA A 103 -5.138 -10.465 7.564 1.00 24.44 H new ATOM 1577 N ALA A 104 -7.643 -11.700 6.183 1.00 30.03 N ATOM 1578 CA ALA A 104 -8.019 -12.882 5.418 1.00 14.04 C ATOM 1579 C ALA A 104 -9.156 -12.572 4.451 1.00 21.50 C ATOM 1580 O ALA A 104 -9.096 -12.925 3.274 1.00 13.21 O ATOM 1581 CB ALA A 104 -8.412 -14.014 6.355 1.00 72.01 C ATOM 0 H ALA A 104 -7.854 -11.758 7.179 1.00 30.03 H new ATOM 0 HA ALA A 104 -7.155 -13.195 4.832 1.00 14.04 H new ATOM 0 HB1 ALA A 104 -8.690 -14.891 5.770 1.00 72.01 H new ATOM 0 HB2 ALA A 104 -7.569 -14.261 7.000 1.00 72.01 H new ATOM 0 HB3 ALA A 104 -9.258 -13.702 6.967 1.00 72.01 H new ATOM 1587 N ALA A 105 -10.193 -11.912 4.957 1.00 30.20 N ATOM 1588 CA ALA A 105 -11.344 -11.555 4.138 1.00 42.42 C ATOM 1589 C ALA A 105 -10.944 -10.605 3.014 1.00 62.15 C ATOM 1590 O ALA A 105 -11.457 -10.697 1.899 1.00 55.11 O ATOM 1591 CB ALA A 105 -12.430 -10.928 4.999 1.00 54.42 C ATOM 0 H ALA A 105 -10.259 -11.614 5.930 1.00 30.20 H new ATOM 0 HA ALA A 105 -11.734 -12.467 3.687 1.00 42.42 H new ATOM 0 HB1 ALA A 105 -13.284 -10.666 4.374 1.00 54.42 H new ATOM 0 HB2 ALA A 105 -12.744 -11.639 5.763 1.00 54.42 H new ATOM 0 HB3 ALA A 105 -12.041 -10.029 5.477 1.00 54.42 H new ATOM 1597 N ALA A 106 -10.025 -9.693 3.315 1.00 51.43 N ATOM 1598 CA ALA A 106 -9.556 -8.728 2.329 1.00 33.21 C ATOM 1599 C ALA A 106 -8.898 -9.428 1.144 1.00 73.23 C ATOM 1600 O ALA A 106 -9.263 -9.194 -0.006 1.00 5.42 O ATOM 1601 CB ALA A 106 -8.585 -7.748 2.970 1.00 74.13 C ATOM 0 H ALA A 106 -9.591 -9.603 4.234 1.00 51.43 H new ATOM 0 HA ALA A 106 -10.420 -8.177 1.958 1.00 33.21 H new ATOM 0 HB1 ALA A 106 -8.243 -7.033 2.222 1.00 74.13 H new ATOM 0 HB2 ALA A 106 -9.086 -7.216 3.778 1.00 74.13 H new ATOM 0 HB3 ALA A 106 -7.729 -8.292 3.370 1.00 74.13 H new ATOM 1607 N GLU A 107 -7.926 -10.287 1.436 1.00 51.23 N ATOM 1608 CA GLU A 107 -7.218 -11.020 0.393 1.00 74.13 C ATOM 1609 C GLU A 107 -8.166 -11.948 -0.359 1.00 23.45 C ATOM 1610 O GLU A 107 -7.945 -12.263 -1.528 1.00 20.24 O ATOM 1611 CB GLU A 107 -6.069 -11.828 0.999 1.00 34.30 C ATOM 1612 CG GLU A 107 -6.529 -12.941 1.925 1.00 74.42 C ATOM 1613 CD GLU A 107 -5.424 -13.929 2.244 1.00 23.32 C ATOM 1614 OE1 GLU A 107 -4.622 -14.235 1.336 1.00 51.32 O ATOM 1615 OE2 GLU A 107 -5.361 -14.399 3.399 1.00 65.32 O ATOM 0 H GLU A 107 -7.611 -10.492 2.384 1.00 51.23 H new ATOM 0 HA GLU A 107 -6.811 -10.296 -0.313 1.00 74.13 H new ATOM 0 HB2 GLU A 107 -5.475 -12.260 0.193 1.00 34.30 H new ATOM 0 HB3 GLU A 107 -5.414 -11.154 1.552 1.00 34.30 H new ATOM 0 HG2 GLU A 107 -6.901 -12.506 2.853 1.00 74.42 H new ATOM 0 HG3 GLU A 107 -7.363 -13.471 1.464 1.00 74.42 H new ATOM 1622 N ASN A 108 -9.222 -12.384 0.320 1.00 33.20 N ATOM 1623 CA ASN A 108 -10.203 -13.277 -0.284 1.00 63.44 C ATOM 1624 C ASN A 108 -10.952 -12.579 -1.415 1.00 65.31 C ATOM 1625 O ASN A 108 -11.129 -13.141 -2.495 1.00 30.22 O ATOM 1626 CB ASN A 108 -11.195 -13.768 0.773 1.00 3.21 C ATOM 1627 CG ASN A 108 -11.285 -15.280 0.824 1.00 24.31 C ATOM 1628 OD1 ASN A 108 -12.332 -15.862 0.537 1.00 41.21 O ATOM 1629 ND2 ASN A 108 -10.184 -15.927 1.191 1.00 42.24 N ATOM 0 H ASN A 108 -9.420 -12.133 1.289 1.00 33.20 H new ATOM 0 HA ASN A 108 -9.671 -14.133 -0.699 1.00 63.44 H new ATOM 0 HB2 ASN A 108 -10.895 -13.392 1.751 1.00 3.21 H new ATOM 0 HB3 ASN A 108 -12.181 -13.355 0.561 1.00 3.21 H new ATOM 0 HD21 ASN A 108 -10.185 -16.946 1.244 1.00 42.24 H new ATOM 0 HD22 ASN A 108 -9.338 -15.405 1.420 1.00 42.24 H new ATOM 1636 N MET A 109 -11.388 -11.350 -1.158 1.00 63.12 N ATOM 1637 CA MET A 109 -12.116 -10.574 -2.155 1.00 42.34 C ATOM 1638 C MET A 109 -11.197 -10.163 -3.300 1.00 12.43 C ATOM 1639 O MET A 109 -11.567 -10.256 -4.471 1.00 41.22 O ATOM 1640 CB MET A 109 -12.738 -9.332 -1.512 1.00 25.43 C ATOM 1641 CG MET A 109 -14.248 -9.418 -1.360 1.00 4.45 C ATOM 1642 SD MET A 109 -14.757 -9.754 0.335 1.00 61.44 S ATOM 1643 CE MET A 109 -15.316 -8.132 0.850 1.00 15.35 C ATOM 0 H MET A 109 -11.250 -10.870 -0.268 1.00 63.12 H new ATOM 0 HA MET A 109 -12.911 -11.201 -2.558 1.00 42.34 H new ATOM 0 HB2 MET A 109 -12.290 -9.178 -0.530 1.00 25.43 H new ATOM 0 HB3 MET A 109 -12.491 -8.458 -2.115 1.00 25.43 H new ATOM 0 HG2 MET A 109 -14.696 -8.481 -1.691 1.00 4.45 H new ATOM 0 HG3 MET A 109 -14.631 -10.203 -2.013 1.00 4.45 H new ATOM 0 HE1 MET A 109 -15.696 -8.185 1.870 1.00 15.35 H new ATOM 0 HE2 MET A 109 -14.483 -7.430 0.809 1.00 15.35 H new ATOM 0 HE3 MET A 109 -16.109 -7.792 0.184 1.00 15.35 H new ATOM 1653 N TYR A 110 -9.998 -9.705 -2.956 1.00 61.02 N ATOM 1654 CA TYR A 110 -9.028 -9.276 -3.955 1.00 34.43 C ATOM 1655 C TYR A 110 -8.781 -10.377 -4.983 1.00 34.44 C ATOM 1656 O TYR A 110 -8.720 -10.117 -6.185 1.00 71.14 O ATOM 1657 CB TYR A 110 -7.710 -8.887 -3.282 1.00 4.54 C ATOM 1658 CG TYR A 110 -7.255 -7.483 -3.609 1.00 12.22 C ATOM 1659 CD1 TYR A 110 -5.964 -7.236 -4.061 1.00 31.20 C ATOM 1660 CD2 TYR A 110 -8.115 -6.401 -3.466 1.00 50.45 C ATOM 1661 CE1 TYR A 110 -5.544 -5.955 -4.360 1.00 25.11 C ATOM 1662 CE2 TYR A 110 -7.705 -5.117 -3.764 1.00 1.25 C ATOM 1663 CZ TYR A 110 -6.418 -4.899 -4.211 1.00 1.12 C ATOM 1664 OH TYR A 110 -6.004 -3.620 -4.508 1.00 71.11 O ATOM 0 H TYR A 110 -9.675 -9.622 -1.992 1.00 61.02 H new ATOM 0 HA TYR A 110 -9.436 -8.407 -4.471 1.00 34.43 H new ATOM 0 HB2 TYR A 110 -7.821 -8.982 -2.202 1.00 4.54 H new ATOM 0 HB3 TYR A 110 -6.935 -9.591 -3.585 1.00 4.54 H new ATOM 0 HD1 TYR A 110 -5.277 -8.061 -4.180 1.00 31.20 H new ATOM 0 HD2 TYR A 110 -9.123 -6.568 -3.115 1.00 50.45 H new ATOM 0 HE1 TYR A 110 -4.537 -5.781 -4.709 1.00 25.11 H new ATOM 0 HE2 TYR A 110 -8.388 -4.288 -3.648 1.00 1.25 H new ATOM 0 HH TYR A 110 -6.740 -2.993 -4.350 1.00 71.11 H new ATOM 1674 N SER A 111 -8.640 -11.607 -4.500 1.00 1.12 N ATOM 1675 CA SER A 111 -8.396 -12.748 -5.374 1.00 45.13 C ATOM 1676 C SER A 111 -9.697 -13.238 -6.003 1.00 71.11 C ATOM 1677 O SER A 111 -9.726 -13.628 -7.170 1.00 52.12 O ATOM 1678 CB SER A 111 -7.734 -13.885 -4.593 1.00 5.22 C ATOM 1679 OG SER A 111 -7.276 -14.904 -5.464 1.00 3.34 O ATOM 0 H SER A 111 -8.691 -11.839 -3.508 1.00 1.12 H new ATOM 0 HA SER A 111 -7.725 -12.426 -6.171 1.00 45.13 H new ATOM 0 HB2 SER A 111 -6.897 -13.494 -4.015 1.00 5.22 H new ATOM 0 HB3 SER A 111 -8.445 -14.304 -3.881 1.00 5.22 H new ATOM 0 HG SER A 111 -6.856 -15.618 -4.940 1.00 3.34 H new ATOM 1685 N GLN A 112 -10.771 -13.215 -5.220 1.00 70.25 N ATOM 1686 CA GLN A 112 -12.075 -13.657 -5.698 1.00 22.04 C ATOM 1687 C GLN A 112 -12.544 -12.800 -6.870 1.00 54.15 C ATOM 1688 O GLN A 112 -13.200 -13.292 -7.787 1.00 44.32 O ATOM 1689 CB GLN A 112 -13.103 -13.602 -4.568 1.00 70.23 C ATOM 1690 CG GLN A 112 -14.528 -13.865 -5.027 1.00 72.13 C ATOM 1691 CD GLN A 112 -15.236 -14.898 -4.171 1.00 52.23 C ATOM 1692 OE1 GLN A 112 -15.954 -14.555 -3.231 1.00 32.42 O ATOM 1693 NE2 GLN A 112 -15.037 -16.171 -4.492 1.00 14.31 N ATOM 0 H GLN A 112 -10.763 -12.895 -4.252 1.00 70.25 H new ATOM 0 HA GLN A 112 -11.978 -14.687 -6.040 1.00 22.04 H new ATOM 0 HB2 GLN A 112 -12.834 -14.335 -3.808 1.00 70.23 H new ATOM 0 HB3 GLN A 112 -13.058 -12.621 -4.095 1.00 70.23 H new ATOM 0 HG2 GLN A 112 -15.091 -12.932 -5.004 1.00 72.13 H new ATOM 0 HG3 GLN A 112 -14.515 -14.204 -6.063 1.00 72.13 H new ATOM 0 HE21 GLN A 112 -14.434 -16.410 -5.279 1.00 14.31 H new ATOM 0 HE22 GLN A 112 -15.487 -16.910 -3.952 1.00 14.31 H new ATOM 1702 N MET A 113 -12.204 -11.516 -6.830 1.00 1.33 N ATOM 1703 CA MET A 113 -12.590 -10.591 -7.890 1.00 73.34 C ATOM 1704 C MET A 113 -11.710 -10.777 -9.122 1.00 30.12 C ATOM 1705 O MET A 113 -12.080 -10.380 -10.226 1.00 74.01 O ATOM 1706 CB MET A 113 -12.494 -9.147 -7.394 1.00 1.21 C ATOM 1707 CG MET A 113 -13.624 -8.749 -6.459 1.00 51.42 C ATOM 1708 SD MET A 113 -13.886 -6.965 -6.404 1.00 65.25 S ATOM 1709 CE MET A 113 -13.242 -6.580 -4.778 1.00 52.41 C ATOM 0 H MET A 113 -11.663 -11.092 -6.076 1.00 1.33 H new ATOM 0 HA MET A 113 -13.622 -10.805 -8.168 1.00 73.34 H new ATOM 0 HB2 MET A 113 -11.543 -9.011 -6.880 1.00 1.21 H new ATOM 0 HB3 MET A 113 -12.491 -8.476 -8.253 1.00 1.21 H new ATOM 0 HG2 MET A 113 -14.544 -9.238 -6.779 1.00 51.42 H new ATOM 0 HG3 MET A 113 -13.404 -9.111 -5.455 1.00 51.42 H new ATOM 0 HE1 MET A 113 -13.334 -5.510 -4.594 1.00 52.41 H new ATOM 0 HE2 MET A 113 -13.807 -7.127 -4.024 1.00 52.41 H new ATOM 0 HE3 MET A 113 -12.192 -6.868 -4.725 1.00 52.41 H new ATOM 1719 N GLY A 114 -10.544 -11.384 -8.925 1.00 55.11 N ATOM 1720 CA GLY A 114 -9.629 -11.611 -10.029 1.00 50.25 C ATOM 1721 C GLY A 114 -8.474 -10.630 -10.036 1.00 10.13 C ATOM 1722 O GLY A 114 -7.849 -10.403 -11.074 1.00 72.33 O ATOM 0 H GLY A 114 -10.216 -11.723 -8.020 1.00 55.11 H new ATOM 0 HA2 GLY A 114 -9.238 -12.627 -9.970 1.00 50.25 H new ATOM 0 HA3 GLY A 114 -10.174 -11.533 -10.970 1.00 50.25 H new ATOM 1726 N LEU A 115 -8.190 -10.045 -8.878 1.00 33.03 N ATOM 1727 CA LEU A 115 -7.102 -9.081 -8.756 1.00 33.21 C ATOM 1728 C LEU A 115 -5.801 -9.774 -8.362 1.00 51.34 C ATOM 1729 O LEU A 115 -4.728 -9.433 -8.861 1.00 24.20 O ATOM 1730 CB LEU A 115 -7.456 -8.011 -7.721 1.00 61.12 C ATOM 1731 CG LEU A 115 -8.919 -7.570 -7.686 1.00 3.31 C ATOM 1732 CD1 LEU A 115 -9.154 -6.589 -6.549 1.00 51.33 C ATOM 1733 CD2 LEU A 115 -9.322 -6.953 -9.018 1.00 54.12 C ATOM 0 H LEU A 115 -8.697 -10.221 -8.011 1.00 33.03 H new ATOM 0 HA LEU A 115 -6.960 -8.607 -9.727 1.00 33.21 H new ATOM 0 HB2 LEU A 115 -7.187 -8.386 -6.734 1.00 61.12 H new ATOM 0 HB3 LEU A 115 -6.837 -7.134 -7.909 1.00 61.12 H new ATOM 0 HG LEU A 115 -9.540 -8.449 -7.513 1.00 3.31 H new ATOM 0 HD11 LEU A 115 -10.201 -6.286 -6.540 1.00 51.33 H new ATOM 0 HD12 LEU A 115 -8.906 -7.065 -5.600 1.00 51.33 H new ATOM 0 HD13 LEU A 115 -8.524 -5.711 -6.690 1.00 51.33 H new ATOM 0 HD21 LEU A 115 -10.367 -6.645 -8.975 1.00 54.12 H new ATOM 0 HD22 LEU A 115 -8.695 -6.084 -9.221 1.00 54.12 H new ATOM 0 HD23 LEU A 115 -9.193 -7.687 -9.813 1.00 54.12 H new ATOM 1745 N ASP A 116 -5.904 -10.749 -7.465 1.00 62.13 N ATOM 1746 CA ASP A 116 -4.737 -11.493 -7.006 1.00 4.33 C ATOM 1747 C ASP A 116 -4.060 -12.211 -8.169 1.00 70.30 C ATOM 1748 O ASP A 116 -2.832 -12.298 -8.229 1.00 5.33 O ATOM 1749 CB ASP A 116 -5.141 -12.505 -5.933 1.00 55.22 C ATOM 1750 CG ASP A 116 -3.947 -13.234 -5.346 1.00 2.42 C ATOM 1751 OD1 ASP A 116 -4.153 -14.274 -4.686 1.00 43.20 O ATOM 1752 OD2 ASP A 116 -2.809 -12.764 -5.548 1.00 14.24 O ATOM 0 H ASP A 116 -6.784 -11.042 -7.041 1.00 62.13 H new ATOM 0 HA ASP A 116 -4.029 -10.783 -6.578 1.00 4.33 H new ATOM 0 HB2 ASP A 116 -5.677 -11.990 -5.136 1.00 55.22 H new ATOM 0 HB3 ASP A 116 -5.831 -13.231 -6.364 1.00 55.22 H new ATOM 1757 N THR A 117 -4.867 -12.726 -9.092 1.00 32.23 N ATOM 1758 CA THR A 117 -4.345 -13.438 -10.252 1.00 54.13 C ATOM 1759 C THR A 117 -5.413 -13.593 -11.328 1.00 4.21 C ATOM 1760 O THR A 117 -6.609 -13.537 -11.041 1.00 42.34 O ATOM 1761 CB THR A 117 -3.817 -14.833 -9.864 1.00 2.33 C ATOM 1762 OG1 THR A 117 -4.376 -15.236 -8.608 1.00 22.05 O ATOM 1763 CG2 THR A 117 -2.300 -14.830 -9.773 1.00 32.32 C ATOM 0 H THR A 117 -5.885 -12.663 -9.058 1.00 32.23 H new ATOM 0 HA THR A 117 -3.521 -12.842 -10.645 1.00 54.13 H new ATOM 0 HB THR A 117 -4.117 -15.540 -10.638 1.00 2.33 H new ATOM 0 HG1 THR A 117 -4.037 -16.124 -8.369 1.00 22.05 H new ATOM 0 HG21 THR A 117 -1.950 -15.825 -9.498 1.00 32.32 H new ATOM 0 HG22 THR A 117 -1.878 -14.551 -10.739 1.00 32.32 H new ATOM 0 HG23 THR A 117 -1.982 -14.112 -9.017 1.00 32.32 H new ATOM 1771 N ARG A 118 -4.975 -13.788 -12.568 1.00 53.01 N ATOM 1772 CA ARG A 118 -5.894 -13.950 -13.687 1.00 43.00 C ATOM 1773 C ARG A 118 -5.291 -14.852 -14.760 1.00 15.10 C ATOM 1774 O ARG A 118 -4.962 -14.412 -15.862 1.00 61.22 O ATOM 1775 CB ARG A 118 -6.245 -12.588 -14.289 1.00 53.14 C ATOM 1776 CG ARG A 118 -7.519 -12.597 -15.115 1.00 43.44 C ATOM 1777 CD ARG A 118 -7.856 -11.208 -15.635 1.00 3.51 C ATOM 1778 NE ARG A 118 -7.499 -11.049 -17.042 1.00 0.44 N ATOM 1779 CZ ARG A 118 -7.364 -9.869 -17.638 1.00 51.22 C ATOM 1780 NH1 ARG A 118 -7.555 -8.751 -16.951 1.00 1.35 N ATOM 1781 NH2 ARG A 118 -7.036 -9.806 -18.922 1.00 73.04 N ATOM 0 H ARG A 118 -3.988 -13.838 -12.822 1.00 53.01 H new ATOM 0 HA ARG A 118 -6.804 -14.419 -13.312 1.00 43.00 H new ATOM 0 HB2 ARG A 118 -6.349 -11.861 -13.484 1.00 53.14 H new ATOM 0 HB3 ARG A 118 -5.418 -12.253 -14.916 1.00 53.14 H new ATOM 0 HG2 ARG A 118 -7.405 -13.283 -15.954 1.00 43.44 H new ATOM 0 HG3 ARG A 118 -8.344 -12.970 -14.509 1.00 43.44 H new ATOM 0 HD2 ARG A 118 -8.923 -11.022 -15.508 1.00 3.51 H new ATOM 0 HD3 ARG A 118 -7.330 -10.461 -15.041 1.00 3.51 H new ATOM 0 HE ARG A 118 -7.345 -11.890 -17.598 1.00 0.44 H new ATOM 0 HH11 ARG A 118 -7.806 -8.796 -15.963 1.00 1.35 H new ATOM 0 HH12 ARG A 118 -7.451 -7.846 -17.410 1.00 1.35 H new ATOM 0 HH21 ARG A 118 -6.887 -10.664 -19.453 1.00 73.04 H new ATOM 0 HH22 ARG A 118 -6.933 -8.900 -19.378 1.00 73.04 H new ATOM 1795 N PRO A 119 -5.141 -16.143 -14.432 1.00 2.01 N ATOM 1796 CA PRO A 119 -4.576 -17.134 -15.353 1.00 4.40 C ATOM 1797 C PRO A 119 -5.510 -17.437 -16.521 1.00 23.12 C ATOM 1798 O PRO A 119 -5.388 -18.475 -17.171 1.00 5.33 O ATOM 1799 CB PRO A 119 -4.398 -18.374 -14.475 1.00 63.14 C ATOM 1800 CG PRO A 119 -5.403 -18.215 -13.386 1.00 24.50 C ATOM 1801 CD PRO A 119 -5.512 -16.737 -13.137 1.00 54.34 C ATOM 0 HA PRO A 119 -3.651 -16.784 -15.811 1.00 4.40 H new ATOM 0 HB2 PRO A 119 -4.570 -19.289 -15.042 1.00 63.14 H new ATOM 0 HB3 PRO A 119 -3.386 -18.433 -14.074 1.00 63.14 H new ATOM 0 HG2 PRO A 119 -6.366 -18.634 -13.679 1.00 24.50 H new ATOM 0 HG3 PRO A 119 -5.088 -18.741 -12.484 1.00 24.50 H new ATOM 0 HD2 PRO A 119 -6.522 -16.453 -12.840 1.00 54.34 H new ATOM 0 HD3 PRO A 119 -4.842 -16.414 -12.340 1.00 54.34 H new TER 1809 PRO A 119 HETATM 1810 C1 MYR A 201 6.463 11.304 3.223 1.00 71.33 C HETATM 1811 O1 MYR A 201 6.681 11.923 4.263 1.00 11.22 O HETATM 1812 C2 MYR A 201 7.512 10.301 2.740 1.00 73.12 C HETATM 1813 C3 MYR A 201 7.661 9.047 3.631 1.00 72.52 C HETATM 1814 C4 MYR A 201 6.324 8.305 3.816 1.00 75.44 C HETATM 1815 C5 MYR A 201 5.916 7.520 2.555 1.00 11.34 C HETATM 1816 C6 MYR A 201 4.634 8.080 1.910 1.00 55.22 C HETATM 1817 C7 MYR A 201 3.439 7.120 2.062 1.00 74.43 C HETATM 1818 C8 MYR A 201 2.763 6.813 0.712 1.00 52.22 C HETATM 1819 C9 MYR A 201 2.579 5.300 0.484 1.00 34.25 C HETATM 1820 C10 MYR A 201 1.104 4.921 0.242 1.00 54.31 C HETATM 1821 C11 MYR A 201 0.742 3.480 0.659 1.00 31.11 C HETATM 1822 C12 MYR A 201 1.789 2.420 0.259 1.00 2.33 C HETATM 1823 C13 MYR A 201 1.148 1.194 -0.414 1.00 33.10 C HETATM 1824 C14 MYR A 201 1.880 -0.105 -0.048 1.00 14.12 C HETATM 0 H143 MYR A 201 2.919 -0.041 -0.372 1.00 14.12 H new HETATM 0 H142 MYR A 201 1.845 -0.250 1.032 1.00 14.12 H new HETATM 0 H141 MYR A 201 1.396 -0.947 -0.543 1.00 14.12 H new HETATM 0 H132 MYR A 201 0.103 1.119 -0.114 1.00 33.10 H new HETATM 0 H131 MYR A 201 1.160 1.326 -1.496 1.00 33.10 H new HETATM 0 H122 MYR A 201 2.515 2.867 -0.420 1.00 2.33 H new HETATM 0 H121 MYR A 201 2.337 2.101 1.145 1.00 2.33 H new HETATM 0 H112 MYR A 201 0.607 3.450 1.740 1.00 31.11 H new HETATM 0 H111 MYR A 201 -0.216 3.215 0.211 1.00 31.11 H new HETATM 0 H102 MYR A 201 0.468 5.616 0.790 1.00 54.31 H new HETATM 0 H101 MYR A 201 0.877 5.048 -0.817 1.00 54.31 H new HETATM 0 H92 MYR A 201 3.177 4.988 -0.372 1.00 34.25 H new HETATM 0 H91 MYR A 201 2.954 4.756 1.351 1.00 34.25 H new HETATM 0 H82 MYR A 201 1.791 7.305 0.674 1.00 52.22 H new HETATM 0 H81 MYR A 201 3.364 7.230 -0.096 1.00 52.22 H new HETATM 0 H72 MYR A 201 3.779 6.189 2.516 1.00 74.43 H new HETATM 0 H71 MYR A 201 2.708 7.558 2.741 1.00 74.43 H new HETATM 0 H62 MYR A 201 4.388 9.039 2.367 1.00 55.22 H new HETATM 0 H61 MYR A 201 4.814 8.268 0.852 1.00 55.22 H new HETATM 0 H52 MYR A 201 6.729 7.552 1.830 1.00 11.34 H new HETATM 0 H51 MYR A 201 5.762 6.473 2.815 1.00 11.34 H new HETATM 0 H42 MYR A 201 6.405 7.619 4.659 1.00 75.44 H new HETATM 0 H41 MYR A 201 5.543 9.024 4.063 1.00 75.44 H new HETATM 0 H32 MYR A 201 8.391 8.371 3.186 1.00 72.52 H new HETATM 0 H31 MYR A 201 8.050 9.340 4.606 1.00 72.52 H new HETATM 0 H22 MYR A 201 7.254 9.984 1.729 1.00 73.12 H new HETATM 0 H21 MYR A 201 8.477 10.805 2.680 1.00 73.12 H new