USER MOD reduce.3.24.130724 H: found=0, std=0, add=1057, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1055 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 ASN : amide:sc= -1.86! C(o=-3.6!,f=-6.5!) USER MOD Set 1.2: A 102 HIS : no HD1:sc= -1.75! K(o=-3.6!,f=-1) USER MOD Set 2.1: A 77 GLN : amide:sc= 0.684 K(o=2,f=0.82) USER MOD Set 2.2: A 79 HIS : no HE2:sc= 0.739 K(o=2,f=-3.4) USER MOD Set 2.3: A 98 SER OG : rot 180:sc= 0.308 USER MOD Set 2.4: A 100 LYS NZ :NH3+ 164:sc= 0.279 (180deg=0) USER MOD Single : A 0 MET CE :methyl 166:sc= 0 (180deg=-0.422) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0.204 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0378 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -127:sc= 0.418 (180deg=0) USER MOD Single : A 46 SER OG : rot 67:sc= 1.02 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 51 LYS NZ :NH3+ -171:sc= 1.26 (180deg=1.1) USER MOD Single : A 53 THR OG1 : rot -66:sc= 0.493 USER MOD Single : A 54 TYR OH : rot 139:sc= 1.16 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.184 USER MOD Single : A 56 MET CE :methyl 178:sc= 0 (180deg=-0.00479) USER MOD Single : A 57 LYS NZ :NH3+ -172:sc= 2.25 (180deg=2.16) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0.818 K(o=0.82,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl -145:sc= 0 (180deg=-0.0389) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 1.22 K(o=1.2,f=-6.2!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 76:sc= 0.889 USER MOD Single : A 84 SER OG : rot 43:sc= 0.0647 USER MOD Single : A 85 ASN : amide:sc=-0.000255 X(o=-0.00025,f=-0.032) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A -11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -11 MET N :NH3+ 154:sc= 0.761 (180deg=0.397) USER MOD Single : A 104 LYS NZ :NH3+ -164:sc= 1.22 (180deg=1.18) USER MOD Single : A 106 TYR OH : rot -3:sc= 1.21 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl 178:sc= -0.0566 (180deg=-0.0648) USER MOD Single : A 109 MET CE :methyl 157:sc= -0.385 (180deg=-2.14!) USER MOD Single : A 111 SER OG : rot 80:sc= 0.321 USER MOD Single : A 112 MET CE :methyl -156:sc= -1.35 (180deg=-2.52) USER MOD Single : A 113 THR OG1 : rot 170:sc= 0 USER MOD Single : A 116 GLN : amide:sc= 0.823 K(o=0.82,f=0) USER MOD Single : A 117 GLN : amide:sc= -0.0577 X(o=-0.058,f=-0.058) USER MOD Single : A 118 MET CE :methyl -173:sc= 0 (180deg=-0.0486) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -11 1.598 -7.463 22.293 1.00 0.00 N ATOM 2 CA MET A -11 0.279 -7.340 21.617 1.00 0.00 C ATOM 3 C MET A -11 0.448 -7.221 20.096 1.00 0.00 C ATOM 4 O MET A -11 1.478 -6.712 19.647 1.00 0.00 O ATOM 5 CB MET A -11 -0.553 -6.155 22.152 1.00 0.00 C ATOM 6 CG MET A -11 -1.123 -6.387 23.559 1.00 0.00 C ATOM 7 SD MET A -11 0.068 -6.298 24.928 1.00 0.00 S ATOM 8 CE MET A -11 -1.050 -6.617 26.320 1.00 0.00 C ATOM 0 H1 MET A -11 1.523 -7.109 23.268 1.00 0.00 H new ATOM 0 H2 MET A -11 1.888 -8.462 22.308 1.00 0.00 H new ATOM 0 H3 MET A -11 2.307 -6.904 21.776 1.00 0.00 H new ATOM 0 HA MET A -11 -0.270 -8.254 21.844 1.00 0.00 H new ATOM 0 HB2 MET A -11 0.071 -5.261 22.165 1.00 0.00 H new ATOM 0 HB3 MET A -11 -1.376 -5.960 21.464 1.00 0.00 H new ATOM 0 HG2 MET A -11 -1.907 -5.651 23.737 1.00 0.00 H new ATOM 0 HG3 MET A -11 -1.597 -7.368 23.580 1.00 0.00 H new ATOM 0 HE1 MET A -11 -0.485 -6.600 27.252 1.00 0.00 H new ATOM 0 HE2 MET A -11 -1.823 -5.849 26.350 1.00 0.00 H new ATOM 0 HE3 MET A -11 -1.515 -7.595 26.196 1.00 0.00 H new ATOM 20 N PRO A -10 -0.543 -7.659 19.288 1.00 0.00 N ATOM 21 CA PRO A -10 -0.533 -7.513 17.827 1.00 0.00 C ATOM 22 C PRO A -10 -0.425 -6.056 17.351 1.00 0.00 C ATOM 23 O PRO A -10 -0.833 -5.131 18.061 1.00 0.00 O ATOM 24 CB PRO A -10 -1.840 -8.149 17.337 1.00 0.00 C ATOM 25 CG PRO A -10 -2.178 -9.155 18.434 1.00 0.00 C ATOM 26 CD PRO A -10 -1.715 -8.429 19.695 1.00 0.00 C ATOM 0 HA PRO A -10 0.352 -8.000 17.417 1.00 0.00 H new ATOM 0 HB2 PRO A -10 -2.628 -7.406 17.217 1.00 0.00 H new ATOM 0 HB3 PRO A -10 -1.712 -8.637 16.371 1.00 0.00 H new ATOM 0 HG2 PRO A -10 -3.244 -9.382 18.463 1.00 0.00 H new ATOM 0 HG3 PRO A -10 -1.655 -10.101 18.294 1.00 0.00 H new ATOM 0 HD2 PRO A -10 -2.498 -7.778 20.084 1.00 0.00 H new ATOM 0 HD3 PRO A -10 -1.466 -9.136 20.487 1.00 0.00 H new ATOM 34 N ARG A -9 0.065 -5.857 16.119 1.00 0.00 N ATOM 35 CA ARG A -9 0.218 -4.553 15.438 1.00 0.00 C ATOM 36 C ARG A -9 -0.135 -4.615 13.948 1.00 0.00 C ATOM 37 O ARG A -9 -0.158 -5.699 13.364 1.00 0.00 O ATOM 38 CB ARG A -9 1.644 -3.995 15.662 1.00 0.00 C ATOM 39 CG ARG A -9 1.877 -3.397 17.062 1.00 0.00 C ATOM 40 CD ARG A -9 1.127 -2.072 17.266 1.00 0.00 C ATOM 41 NE ARG A -9 1.138 -1.659 18.683 1.00 0.00 N ATOM 42 CZ ARG A -9 0.096 -1.508 19.484 1.00 0.00 C ATOM 43 NH1 ARG A -9 -1.133 -1.742 19.114 1.00 0.00 N ATOM 44 NH2 ARG A -9 0.274 -1.105 20.710 1.00 0.00 N ATOM 0 H ARG A -9 0.382 -6.634 15.539 1.00 0.00 H new ATOM 0 HA ARG A -9 -0.500 -3.867 15.887 1.00 0.00 H new ATOM 0 HB2 ARG A -9 2.365 -4.796 15.497 1.00 0.00 H new ATOM 0 HB3 ARG A -9 1.843 -3.228 14.914 1.00 0.00 H new ATOM 0 HG2 ARG A -9 1.555 -4.113 17.818 1.00 0.00 H new ATOM 0 HG3 ARG A -9 2.944 -3.234 17.211 1.00 0.00 H new ATOM 0 HD2 ARG A -9 1.586 -1.295 16.655 1.00 0.00 H new ATOM 0 HD3 ARG A -9 0.097 -2.179 16.925 1.00 0.00 H new ATOM 0 HE ARG A -9 2.053 -1.468 19.091 1.00 0.00 H new ATOM 0 HH11 ARG A -9 -1.328 -2.058 18.164 1.00 0.00 H new ATOM 0 HH12 ARG A -9 -1.899 -1.609 19.775 1.00 0.00 H new ATOM 0 HH21 ARG A -9 1.215 -0.907 21.050 1.00 0.00 H new ATOM 0 HH22 ARG A -9 -0.528 -0.988 21.330 1.00 0.00 H new ATOM 58 N PHE A -8 -0.359 -3.452 13.328 1.00 0.00 N ATOM 59 CA PHE A -8 -0.646 -3.303 11.892 1.00 0.00 C ATOM 60 C PHE A -8 0.150 -4.178 10.911 1.00 0.00 C ATOM 61 O PHE A -8 -0.418 -4.798 10.009 1.00 0.00 O ATOM 62 CB PHE A -8 -0.644 -1.814 11.490 1.00 0.00 C ATOM 63 CG PHE A -8 -0.430 -1.580 10.003 1.00 0.00 C ATOM 64 CD1 PHE A -8 -1.510 -1.684 9.106 1.00 0.00 C ATOM 65 CD2 PHE A -8 0.873 -1.367 9.505 1.00 0.00 C ATOM 66 CE1 PHE A -8 -1.284 -1.606 7.720 1.00 0.00 C ATOM 67 CE2 PHE A -8 1.098 -1.302 8.119 1.00 0.00 C ATOM 68 CZ PHE A -8 0.022 -1.435 7.227 1.00 0.00 C ATOM 0 H PHE A -8 -0.346 -2.560 13.823 1.00 0.00 H new ATOM 0 HA PHE A -8 -1.649 -3.717 11.785 1.00 0.00 H new ATOM 0 HB2 PHE A -8 -1.593 -1.366 11.786 1.00 0.00 H new ATOM 0 HB3 PHE A -8 0.139 -1.298 12.046 1.00 0.00 H new ATOM 0 HD1 PHE A -8 -2.513 -1.824 9.482 1.00 0.00 H new ATOM 0 HD2 PHE A -8 1.700 -1.254 10.191 1.00 0.00 H new ATOM 0 HE1 PHE A -8 -2.115 -1.678 7.033 1.00 0.00 H new ATOM 0 HE2 PHE A -8 2.098 -1.150 7.740 1.00 0.00 H new ATOM 0 HZ PHE A -8 0.197 -1.406 6.162 1.00 0.00 H new ATOM 78 N TRP A -7 1.470 -4.265 11.108 1.00 0.00 N ATOM 79 CA TRP A -7 2.349 -5.022 10.214 1.00 0.00 C ATOM 80 C TRP A -7 2.059 -6.531 10.196 1.00 0.00 C ATOM 81 O TRP A -7 2.254 -7.170 9.168 1.00 0.00 O ATOM 82 CB TRP A -7 3.813 -4.705 10.536 1.00 0.00 C ATOM 83 CG TRP A -7 4.816 -5.446 9.704 1.00 0.00 C ATOM 84 CD1 TRP A -7 5.384 -6.630 10.033 1.00 0.00 C ATOM 85 CD2 TRP A -7 5.153 -5.232 8.295 1.00 0.00 C ATOM 86 NE1 TRP A -7 6.133 -7.103 8.971 1.00 0.00 N ATOM 87 CE2 TRP A -7 6.001 -6.296 7.862 1.00 0.00 C ATOM 88 CE3 TRP A -7 4.822 -4.246 7.337 1.00 0.00 C ATOM 89 CZ2 TRP A -7 6.503 -6.376 6.554 1.00 0.00 C ATOM 90 CZ3 TRP A -7 5.334 -4.310 6.025 1.00 0.00 C ATOM 91 CH2 TRP A -7 6.168 -5.371 5.632 1.00 0.00 C ATOM 0 H TRP A -7 1.955 -3.816 11.885 1.00 0.00 H new ATOM 0 HA TRP A -7 2.139 -4.697 9.195 1.00 0.00 H new ATOM 0 HB2 TRP A -7 3.975 -3.635 10.407 1.00 0.00 H new ATOM 0 HB3 TRP A -7 3.996 -4.931 11.587 1.00 0.00 H new ATOM 0 HD1 TRP A -7 5.269 -7.131 10.983 1.00 0.00 H new ATOM 0 HE1 TRP A -7 6.710 -7.943 9.004 1.00 0.00 H new ATOM 0 HE3 TRP A -7 4.168 -3.433 7.614 1.00 0.00 H new ATOM 0 HZ2 TRP A -7 7.138 -7.199 6.261 1.00 0.00 H new ATOM 0 HZ3 TRP A -7 5.083 -3.536 5.315 1.00 0.00 H new ATOM 0 HH2 TRP A -7 6.550 -5.413 4.623 1.00 0.00 H new ATOM 102 N GLU A -6 1.513 -7.107 11.272 1.00 0.00 N ATOM 103 CA GLU A -6 1.075 -8.515 11.278 1.00 0.00 C ATOM 104 C GLU A -6 -0.109 -8.747 10.321 1.00 0.00 C ATOM 105 O GLU A -6 -0.164 -9.771 9.636 1.00 0.00 O ATOM 106 CB GLU A -6 0.718 -8.971 12.701 1.00 0.00 C ATOM 107 CG GLU A -6 1.911 -8.849 13.668 1.00 0.00 C ATOM 108 CD GLU A -6 1.689 -9.542 15.029 1.00 0.00 C ATOM 109 OE1 GLU A -6 0.571 -10.032 15.321 1.00 0.00 O ATOM 110 OE2 GLU A -6 2.650 -9.588 15.834 1.00 0.00 O ATOM 0 H GLU A -6 1.362 -6.621 12.156 1.00 0.00 H new ATOM 0 HA GLU A -6 1.911 -9.117 10.921 1.00 0.00 H new ATOM 0 HB2 GLU A -6 -0.113 -8.373 13.075 1.00 0.00 H new ATOM 0 HB3 GLU A -6 0.379 -10.006 12.674 1.00 0.00 H new ATOM 0 HG2 GLU A -6 2.795 -9.276 13.194 1.00 0.00 H new ATOM 0 HG3 GLU A -6 2.120 -7.793 13.839 1.00 0.00 H new ATOM 117 N TYR A -5 -1.021 -7.772 10.214 1.00 0.00 N ATOM 118 CA TYR A -5 -2.060 -7.744 9.181 1.00 0.00 C ATOM 119 C TYR A -5 -1.562 -7.526 7.749 1.00 0.00 C ATOM 120 O TYR A -5 -2.036 -8.169 6.812 1.00 0.00 O ATOM 121 CB TYR A -5 -3.205 -6.788 9.549 1.00 0.00 C ATOM 122 CG TYR A -5 -4.172 -7.334 10.578 1.00 0.00 C ATOM 123 CD1 TYR A -5 -5.159 -8.255 10.181 1.00 0.00 C ATOM 124 CD2 TYR A -5 -4.088 -6.922 11.924 1.00 0.00 C ATOM 125 CE1 TYR A -5 -6.068 -8.763 11.127 1.00 0.00 C ATOM 126 CE2 TYR A -5 -5.003 -7.424 12.872 1.00 0.00 C ATOM 127 CZ TYR A -5 -6.001 -8.341 12.473 1.00 0.00 C ATOM 128 OH TYR A -5 -6.909 -8.814 13.371 1.00 0.00 O ATOM 0 H TYR A -5 -1.057 -6.974 10.849 1.00 0.00 H new ATOM 0 HA TYR A -5 -2.454 -8.760 9.168 1.00 0.00 H new ATOM 0 HB2 TYR A -5 -2.778 -5.859 9.927 1.00 0.00 H new ATOM 0 HB3 TYR A -5 -3.759 -6.540 8.644 1.00 0.00 H new ATOM 0 HD1 TYR A -5 -5.219 -8.572 9.150 1.00 0.00 H new ATOM 0 HD2 TYR A -5 -3.323 -6.223 12.228 1.00 0.00 H new ATOM 0 HE1 TYR A -5 -6.819 -9.477 10.823 1.00 0.00 H new ATOM 0 HE2 TYR A -5 -4.941 -7.108 13.903 1.00 0.00 H new ATOM 0 HH TYR A -5 -6.727 -8.429 14.254 1.00 0.00 H new ATOM 138 N TRP A -4 -0.578 -6.642 7.573 1.00 0.00 N ATOM 139 CA TRP A -4 -0.009 -6.333 6.258 1.00 0.00 C ATOM 140 C TRP A -4 0.882 -7.470 5.733 1.00 0.00 C ATOM 141 O TRP A -4 0.833 -7.796 4.550 1.00 0.00 O ATOM 142 CB TRP A -4 0.769 -5.019 6.345 1.00 0.00 C ATOM 143 CG TRP A -4 1.069 -4.453 4.997 1.00 0.00 C ATOM 144 CD1 TRP A -4 2.128 -4.788 4.227 1.00 0.00 C ATOM 145 CD2 TRP A -4 0.148 -3.744 4.112 1.00 0.00 C ATOM 146 NE1 TRP A -4 1.970 -4.253 2.966 1.00 0.00 N ATOM 147 CE2 TRP A -4 0.752 -3.628 2.826 1.00 0.00 C ATOM 148 CE3 TRP A -4 -1.152 -3.215 4.261 1.00 0.00 C ATOM 149 CZ2 TRP A -4 0.111 -3.006 1.746 1.00 0.00 C ATOM 150 CZ3 TRP A -4 -1.809 -2.591 3.182 1.00 0.00 C ATOM 151 CH2 TRP A -4 -1.180 -2.482 1.928 1.00 0.00 C ATOM 0 H TRP A -4 -0.152 -6.119 8.338 1.00 0.00 H new ATOM 0 HA TRP A -4 -0.825 -6.226 5.544 1.00 0.00 H new ATOM 0 HB2 TRP A -4 0.193 -4.295 6.922 1.00 0.00 H new ATOM 0 HB3 TRP A -4 1.702 -5.186 6.883 1.00 0.00 H new ATOM 0 HD1 TRP A -4 2.969 -5.384 4.550 1.00 0.00 H new ATOM 0 HE1 TRP A -4 2.671 -4.313 2.227 1.00 0.00 H new ATOM 0 HE3 TRP A -4 -1.651 -3.290 5.216 1.00 0.00 H new ATOM 0 HZ2 TRP A -4 0.602 -2.930 0.787 1.00 0.00 H new ATOM 0 HZ3 TRP A -4 -2.804 -2.193 3.319 1.00 0.00 H new ATOM 0 HH2 TRP A -4 -1.688 -1.997 1.108 1.00 0.00 H new ATOM 162 N LEU A -3 1.640 -8.156 6.594 1.00 0.00 N ATOM 163 CA LEU A -3 2.442 -9.325 6.215 1.00 0.00 C ATOM 164 C LEU A -3 1.575 -10.465 5.641 1.00 0.00 C ATOM 165 O LEU A -3 1.994 -11.180 4.731 1.00 0.00 O ATOM 166 CB LEU A -3 3.249 -9.771 7.451 1.00 0.00 C ATOM 167 CG LEU A -3 4.312 -10.846 7.160 1.00 0.00 C ATOM 168 CD1 LEU A -3 5.511 -10.245 6.425 1.00 0.00 C ATOM 169 CD2 LEU A -3 4.815 -11.450 8.472 1.00 0.00 C ATOM 0 H LEU A -3 1.715 -7.914 7.582 1.00 0.00 H new ATOM 0 HA LEU A -3 3.126 -9.054 5.411 1.00 0.00 H new ATOM 0 HB2 LEU A -3 3.740 -8.899 7.884 1.00 0.00 H new ATOM 0 HB3 LEU A -3 2.558 -10.154 8.202 1.00 0.00 H new ATOM 0 HG LEU A -3 3.848 -11.611 6.538 1.00 0.00 H new ATOM 0 HD11 LEU A -3 6.247 -11.025 6.231 1.00 0.00 H new ATOM 0 HD12 LEU A -3 5.180 -9.815 5.479 1.00 0.00 H new ATOM 0 HD13 LEU A -3 5.961 -9.466 7.040 1.00 0.00 H new ATOM 0 HD21 LEU A -3 5.567 -12.210 8.258 1.00 0.00 H new ATOM 0 HD22 LEU A -3 5.256 -10.666 9.088 1.00 0.00 H new ATOM 0 HD23 LEU A -3 3.981 -11.905 9.006 1.00 0.00 H new ATOM 181 N ARG A -2 0.326 -10.580 6.112 1.00 0.00 N ATOM 182 CA ARG A -2 -0.670 -11.566 5.666 1.00 0.00 C ATOM 183 C ARG A -2 -1.136 -11.333 4.217 1.00 0.00 C ATOM 184 O ARG A -2 -1.640 -12.269 3.599 1.00 0.00 O ATOM 185 CB ARG A -2 -1.822 -11.546 6.688 1.00 0.00 C ATOM 186 CG ARG A -2 -2.868 -12.665 6.599 1.00 0.00 C ATOM 187 CD ARG A -2 -2.362 -14.055 7.010 1.00 0.00 C ATOM 188 NE ARG A -2 -1.691 -14.794 5.922 1.00 0.00 N ATOM 189 CZ ARG A -2 -1.293 -16.053 5.999 1.00 0.00 C ATOM 190 NH1 ARG A -2 -1.401 -16.768 7.078 1.00 0.00 N ATOM 191 NH2 ARG A -2 -0.768 -16.681 4.996 1.00 0.00 N ATOM 0 H ARG A -2 -0.033 -9.965 6.842 1.00 0.00 H new ATOM 0 HA ARG A -2 -0.225 -12.561 5.635 1.00 0.00 H new ATOM 0 HB2 ARG A -2 -1.386 -11.572 7.687 1.00 0.00 H new ATOM 0 HB3 ARG A -2 -2.341 -10.592 6.591 1.00 0.00 H new ATOM 0 HG2 ARG A -2 -3.716 -12.401 7.231 1.00 0.00 H new ATOM 0 HG3 ARG A -2 -3.238 -12.717 5.575 1.00 0.00 H new ATOM 0 HD2 ARG A -2 -1.668 -13.946 7.844 1.00 0.00 H new ATOM 0 HD3 ARG A -2 -3.204 -14.645 7.371 1.00 0.00 H new ATOM 0 HE ARG A -2 -1.522 -14.297 5.047 1.00 0.00 H new ATOM 0 HH11 ARG A -2 -1.809 -16.362 7.920 1.00 0.00 H new ATOM 0 HH12 ARG A -2 -1.078 -17.735 7.083 1.00 0.00 H new ATOM 0 HH21 ARG A -2 -0.648 -16.204 4.102 1.00 0.00 H new ATOM 0 HH22 ARG A -2 -0.475 -17.652 5.099 1.00 0.00 H new ATOM 205 N LEU A -1 -0.931 -10.131 3.660 1.00 0.00 N ATOM 206 CA LEU A -1 -1.115 -9.835 2.230 1.00 0.00 C ATOM 207 C LEU A -1 0.031 -10.398 1.382 1.00 0.00 C ATOM 208 O LEU A -1 -0.229 -11.061 0.380 1.00 0.00 O ATOM 209 CB LEU A -1 -1.152 -8.318 1.983 1.00 0.00 C ATOM 210 CG LEU A -1 -2.409 -7.579 2.446 1.00 0.00 C ATOM 211 CD1 LEU A -1 -2.117 -6.087 2.349 1.00 0.00 C ATOM 212 CD2 LEU A -1 -3.604 -7.886 1.544 1.00 0.00 C ATOM 0 H LEU A -1 -0.627 -9.321 4.200 1.00 0.00 H new ATOM 0 HA LEU A -1 -2.058 -10.300 1.944 1.00 0.00 H new ATOM 0 HB2 LEU A -1 -0.291 -7.871 2.480 1.00 0.00 H new ATOM 0 HB3 LEU A -1 -1.029 -8.144 0.914 1.00 0.00 H new ATOM 0 HG LEU A -1 -2.655 -7.892 3.461 1.00 0.00 H new ATOM 0 HD11 LEU A -1 -2.992 -5.523 2.672 1.00 0.00 H new ATOM 0 HD12 LEU A -1 -1.270 -5.840 2.989 1.00 0.00 H new ATOM 0 HD13 LEU A -1 -1.880 -5.829 1.317 1.00 0.00 H new ATOM 0 HD21 LEU A -1 -4.479 -7.344 1.903 1.00 0.00 H new ATOM 0 HD22 LEU A -1 -3.379 -7.576 0.523 1.00 0.00 H new ATOM 0 HD23 LEU A -1 -3.808 -8.957 1.562 1.00 0.00 H new ATOM 224 N MET A 0 1.293 -10.146 1.753 1.00 0.00 N ATOM 225 CA MET A 0 2.435 -10.635 0.962 1.00 0.00 C ATOM 226 C MET A 0 2.617 -12.156 1.096 1.00 0.00 C ATOM 227 O MET A 0 3.192 -12.798 0.219 1.00 0.00 O ATOM 228 CB MET A 0 3.720 -9.859 1.284 1.00 0.00 C ATOM 229 CG MET A 0 4.342 -10.180 2.646 1.00 0.00 C ATOM 230 SD MET A 0 6.060 -9.632 2.824 1.00 0.00 S ATOM 231 CE MET A 0 5.807 -7.849 2.714 1.00 0.00 C ATOM 0 H MET A 0 1.550 -9.614 2.584 1.00 0.00 H new ATOM 0 HA MET A 0 2.209 -10.444 -0.087 1.00 0.00 H new ATOM 0 HB2 MET A 0 4.456 -10.065 0.507 1.00 0.00 H new ATOM 0 HB3 MET A 0 3.503 -8.792 1.242 1.00 0.00 H new ATOM 0 HG2 MET A 0 3.741 -9.714 3.427 1.00 0.00 H new ATOM 0 HG3 MET A 0 4.297 -11.257 2.809 1.00 0.00 H new ATOM 0 HE1 MET A 0 6.707 -7.333 3.047 1.00 0.00 H new ATOM 0 HE2 MET A 0 5.593 -7.575 1.681 1.00 0.00 H new ATOM 0 HE3 MET A 0 4.968 -7.561 3.347 1.00 0.00 H new ATOM 241 N GLU A 1 2.118 -12.736 2.190 1.00 0.00 N ATOM 242 CA GLU A 1 1.948 -14.182 2.400 1.00 0.00 C ATOM 243 C GLU A 1 0.523 -14.646 2.019 1.00 0.00 C ATOM 244 O GLU A 1 0.049 -15.687 2.480 1.00 0.00 O ATOM 245 CB GLU A 1 2.322 -14.556 3.851 1.00 0.00 C ATOM 246 CG GLU A 1 3.773 -14.198 4.226 1.00 0.00 C ATOM 247 CD GLU A 1 4.829 -14.811 3.284 1.00 0.00 C ATOM 248 OE1 GLU A 1 4.627 -15.924 2.746 1.00 0.00 O ATOM 249 OE2 GLU A 1 5.877 -14.163 3.052 1.00 0.00 O ATOM 0 H GLU A 1 1.806 -12.188 2.992 1.00 0.00 H new ATOM 0 HA GLU A 1 2.629 -14.714 1.736 1.00 0.00 H new ATOM 0 HB2 GLU A 1 1.643 -14.047 4.535 1.00 0.00 H new ATOM 0 HB3 GLU A 1 2.173 -15.627 3.991 1.00 0.00 H new ATOM 0 HG2 GLU A 1 3.882 -13.113 4.222 1.00 0.00 H new ATOM 0 HG3 GLU A 1 3.969 -14.535 5.244 1.00 0.00 H new ATOM 256 N GLY A 2 -0.191 -13.869 1.195 1.00 0.00 N ATOM 257 CA GLY A 2 -1.612 -14.059 0.888 1.00 0.00 C ATOM 258 C GLY A 2 -1.941 -15.322 0.092 1.00 0.00 C ATOM 259 O GLY A 2 -3.053 -15.832 0.197 1.00 0.00 O ATOM 0 H GLY A 2 0.216 -13.069 0.711 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -2.170 -14.083 1.824 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -1.966 -13.193 0.328 1.00 0.00 H new ATOM 263 N GLY A 3 -0.971 -15.885 -0.638 1.00 0.00 N ATOM 264 CA GLY A 3 -1.090 -17.209 -1.267 1.00 0.00 C ATOM 265 C GLY A 3 -1.139 -18.377 -0.264 1.00 0.00 C ATOM 266 O GLY A 3 -1.409 -19.515 -0.659 1.00 0.00 O ATOM 0 H GLY A 3 -0.074 -15.432 -0.811 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -1.993 -17.230 -1.878 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -0.246 -17.357 -1.941 1.00 0.00 H new ATOM 270 N GLY A 4 -0.881 -18.105 1.022 1.00 0.00 N ATOM 271 CA GLY A 4 -1.003 -19.040 2.138 1.00 0.00 C ATOM 272 C GLY A 4 -2.439 -19.217 2.651 1.00 0.00 C ATOM 273 O GLY A 4 -3.416 -19.091 1.915 1.00 0.00 O ATOM 0 H GLY A 4 -0.567 -17.182 1.322 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.616 -20.011 1.829 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.375 -18.694 2.959 1.00 0.00 H new ATOM 277 N GLU A 5 -2.564 -19.502 3.945 1.00 0.00 N ATOM 278 CA GLU A 5 -3.784 -19.953 4.631 1.00 0.00 C ATOM 279 C GLU A 5 -5.040 -19.083 4.420 1.00 0.00 C ATOM 280 O GLU A 5 -6.159 -19.598 4.495 1.00 0.00 O ATOM 281 CB GLU A 5 -3.501 -20.067 6.144 1.00 0.00 C ATOM 282 CG GLU A 5 -2.370 -21.043 6.531 1.00 0.00 C ATOM 283 CD GLU A 5 -0.938 -20.459 6.492 1.00 0.00 C ATOM 284 OE1 GLU A 5 -0.741 -19.292 6.069 1.00 0.00 O ATOM 285 OE2 GLU A 5 0.008 -21.180 6.888 1.00 0.00 O ATOM 0 H GLU A 5 -1.774 -19.421 4.585 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.024 -20.914 4.176 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.251 -19.077 6.526 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.417 -20.380 6.646 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.564 -21.414 7.537 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.411 -21.902 5.861 1.00 0.00 H new ATOM 292 N ASN A 6 -4.885 -17.784 4.148 1.00 0.00 N ATOM 293 CA ASN A 6 -5.993 -16.848 3.929 1.00 0.00 C ATOM 294 C ASN A 6 -6.667 -16.941 2.542 1.00 0.00 C ATOM 295 O ASN A 6 -7.858 -16.639 2.453 1.00 0.00 O ATOM 296 CB ASN A 6 -5.567 -15.406 4.282 1.00 0.00 C ATOM 297 CG ASN A 6 -4.295 -14.888 3.623 1.00 0.00 C ATOM 298 OD1 ASN A 6 -3.321 -15.597 3.413 1.00 0.00 O ATOM 299 ND2 ASN A 6 -4.218 -13.602 3.382 1.00 0.00 N ATOM 0 H ASN A 6 -3.968 -17.344 4.072 1.00 0.00 H new ATOM 0 HA ASN A 6 -6.780 -17.159 4.616 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -6.385 -14.735 4.018 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -5.440 -15.344 5.363 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -3.351 -13.201 3.023 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -5.025 -13.002 3.554 1.00 0.00 H new ATOM 306 N LEU A 7 -5.962 -17.366 1.478 1.00 0.00 N ATOM 307 CA LEU A 7 -6.514 -17.502 0.108 1.00 0.00 C ATOM 308 C LEU A 7 -6.102 -18.807 -0.620 1.00 0.00 C ATOM 309 O LEU A 7 -6.317 -18.937 -1.826 1.00 0.00 O ATOM 310 CB LEU A 7 -6.202 -16.257 -0.761 1.00 0.00 C ATOM 311 CG LEU A 7 -6.585 -14.874 -0.195 1.00 0.00 C ATOM 312 CD1 LEU A 7 -5.921 -13.768 -1.018 1.00 0.00 C ATOM 313 CD2 LEU A 7 -8.098 -14.642 -0.256 1.00 0.00 C ATOM 0 H LEU A 7 -4.979 -17.630 1.541 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.593 -17.570 0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.131 -16.251 -0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.709 -16.380 -1.718 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.250 -14.850 0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.197 -12.796 -0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.838 -13.884 -0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.254 -13.835 -2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.332 -13.658 0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.433 -14.695 -1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.607 -15.407 0.330 1.00 0.00 H new ATOM 325 N TYR A 8 -5.530 -19.789 0.083 1.00 0.00 N ATOM 326 CA TYR A 8 -5.090 -21.076 -0.482 1.00 0.00 C ATOM 327 C TYR A 8 -6.132 -21.949 -1.215 1.00 0.00 C ATOM 328 O TYR A 8 -5.797 -22.678 -2.152 1.00 0.00 O ATOM 329 CB TYR A 8 -4.249 -21.847 0.556 1.00 0.00 C ATOM 330 CG TYR A 8 -4.063 -23.332 0.301 1.00 0.00 C ATOM 331 CD1 TYR A 8 -2.986 -23.780 -0.489 1.00 0.00 C ATOM 332 CD2 TYR A 8 -4.967 -24.264 0.851 1.00 0.00 C ATOM 333 CE1 TYR A 8 -2.813 -25.156 -0.736 1.00 0.00 C ATOM 334 CE2 TYR A 8 -4.798 -25.641 0.604 1.00 0.00 C ATOM 335 CZ TYR A 8 -3.721 -26.091 -0.191 1.00 0.00 C ATOM 336 OH TYR A 8 -3.565 -27.423 -0.424 1.00 0.00 O ATOM 0 H TYR A 8 -5.354 -19.713 1.085 1.00 0.00 H new ATOM 0 HA TYR A 8 -4.466 -20.797 -1.331 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -3.264 -21.383 0.611 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.715 -21.723 1.534 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -2.291 -23.066 -0.906 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -5.789 -23.922 1.462 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.986 -25.496 -1.342 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -5.493 -26.353 1.023 1.00 0.00 H new ATOM 0 HH TYR A 8 -4.279 -27.920 0.028 1.00 0.00 H new ATOM 346 N PHE A 9 -7.401 -21.866 -0.799 1.00 0.00 N ATOM 347 CA PHE A 9 -8.499 -22.690 -1.321 1.00 0.00 C ATOM 348 C PHE A 9 -8.752 -22.675 -2.844 1.00 0.00 C ATOM 349 O PHE A 9 -8.899 -21.611 -3.448 1.00 0.00 O ATOM 350 CB PHE A 9 -9.764 -22.523 -0.462 1.00 0.00 C ATOM 351 CG PHE A 9 -11.051 -23.012 -1.104 1.00 0.00 C ATOM 352 CD1 PHE A 9 -11.374 -24.382 -1.084 1.00 0.00 C ATOM 353 CD2 PHE A 9 -11.922 -22.099 -1.730 1.00 0.00 C ATOM 354 CE1 PHE A 9 -12.562 -24.836 -1.686 1.00 0.00 C ATOM 355 CE2 PHE A 9 -13.113 -22.553 -2.322 1.00 0.00 C ATOM 356 CZ PHE A 9 -13.433 -23.922 -2.303 1.00 0.00 C ATOM 0 H PHE A 9 -7.700 -21.212 -0.076 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.140 -23.713 -1.212 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.619 -23.057 0.477 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -9.879 -21.468 -0.214 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -10.709 -25.086 -0.606 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -11.674 -21.048 -1.755 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -12.805 -25.888 -1.674 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -13.784 -21.849 -2.792 1.00 0.00 H new ATOM 0 HZ PHE A 9 -14.347 -24.270 -2.762 1.00 0.00 H new ATOM 366 N GLN A 10 -8.827 -23.858 -3.464 1.00 0.00 N ATOM 367 CA GLN A 10 -9.078 -24.028 -4.899 1.00 0.00 C ATOM 368 C GLN A 10 -10.585 -23.942 -5.215 1.00 0.00 C ATOM 369 O GLN A 10 -11.307 -24.941 -5.147 1.00 0.00 O ATOM 370 CB GLN A 10 -8.433 -25.352 -5.357 1.00 0.00 C ATOM 371 CG GLN A 10 -8.555 -25.590 -6.872 1.00 0.00 C ATOM 372 CD GLN A 10 -7.820 -26.843 -7.358 1.00 0.00 C ATOM 373 OE1 GLN A 10 -7.254 -27.627 -6.604 1.00 0.00 O ATOM 374 NE2 GLN A 10 -7.802 -27.090 -8.653 1.00 0.00 N ATOM 0 H GLN A 10 -8.712 -24.743 -2.971 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.619 -23.216 -5.463 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.379 -25.351 -5.079 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -8.902 -26.180 -4.826 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -9.610 -25.673 -7.134 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -8.163 -24.721 -7.400 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -8.266 -26.453 -9.300 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -7.324 -27.919 -9.008 1.00 0.00 H new ATOM 383 N GLY A 11 -11.064 -22.743 -5.563 1.00 0.00 N ATOM 384 CA GLY A 11 -12.465 -22.487 -5.916 1.00 0.00 C ATOM 385 C GLY A 11 -12.844 -21.002 -5.885 1.00 0.00 C ATOM 386 O GLY A 11 -12.029 -20.127 -6.192 1.00 0.00 O ATOM 0 H GLY A 11 -10.479 -21.909 -5.608 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -12.658 -22.882 -6.914 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -13.110 -23.033 -5.227 1.00 0.00 H new ATOM 390 N MET A 12 -14.097 -20.726 -5.512 1.00 0.00 N ATOM 391 CA MET A 12 -14.647 -19.386 -5.257 1.00 0.00 C ATOM 392 C MET A 12 -13.987 -18.686 -4.045 1.00 0.00 C ATOM 393 O MET A 12 -13.129 -19.256 -3.370 1.00 0.00 O ATOM 394 CB MET A 12 -16.178 -19.500 -5.085 1.00 0.00 C ATOM 395 CG MET A 12 -16.639 -20.284 -3.843 1.00 0.00 C ATOM 396 SD MET A 12 -16.537 -22.095 -3.971 1.00 0.00 S ATOM 397 CE MET A 12 -17.074 -22.544 -2.299 1.00 0.00 C ATOM 0 H MET A 12 -14.789 -21.462 -5.372 1.00 0.00 H new ATOM 0 HA MET A 12 -14.420 -18.753 -6.115 1.00 0.00 H new ATOM 0 HB2 MET A 12 -16.599 -18.495 -5.038 1.00 0.00 H new ATOM 0 HB3 MET A 12 -16.593 -19.978 -5.972 1.00 0.00 H new ATOM 0 HG2 MET A 12 -16.039 -19.964 -2.991 1.00 0.00 H new ATOM 0 HG3 MET A 12 -17.672 -20.011 -3.626 1.00 0.00 H new ATOM 0 HE1 MET A 12 -17.072 -23.629 -2.195 1.00 0.00 H new ATOM 0 HE2 MET A 12 -16.392 -22.109 -1.569 1.00 0.00 H new ATOM 0 HE3 MET A 12 -18.081 -22.165 -2.126 1.00 0.00 H new ATOM 407 N SER A 13 -14.403 -17.445 -3.754 1.00 0.00 N ATOM 408 CA SER A 13 -13.951 -16.631 -2.600 1.00 0.00 C ATOM 409 C SER A 13 -12.459 -16.255 -2.595 1.00 0.00 C ATOM 410 O SER A 13 -11.935 -15.773 -1.588 1.00 0.00 O ATOM 411 CB SER A 13 -14.336 -17.313 -1.278 1.00 0.00 C ATOM 412 OG SER A 13 -15.743 -17.494 -1.190 1.00 0.00 O ATOM 0 H SER A 13 -15.087 -16.957 -4.332 1.00 0.00 H new ATOM 0 HA SER A 13 -14.476 -15.682 -2.708 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.836 -18.279 -1.204 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.990 -16.709 -0.439 1.00 0.00 H new ATOM 0 HG SER A 13 -15.964 -17.931 -0.341 1.00 0.00 H new ATOM 418 N VAL A 14 -11.766 -16.464 -3.714 1.00 0.00 N ATOM 419 CA VAL A 14 -10.303 -16.385 -3.850 1.00 0.00 C ATOM 420 C VAL A 14 -10.015 -15.780 -5.241 1.00 0.00 C ATOM 421 O VAL A 14 -10.697 -16.125 -6.213 1.00 0.00 O ATOM 422 CB VAL A 14 -9.732 -17.814 -3.695 1.00 0.00 C ATOM 423 CG1 VAL A 14 -8.364 -18.053 -4.349 1.00 0.00 C ATOM 424 CG2 VAL A 14 -9.619 -18.182 -2.209 1.00 0.00 C ATOM 0 H VAL A 14 -12.225 -16.704 -4.593 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.834 -15.758 -3.092 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.445 -18.447 -4.224 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -8.056 -19.085 -4.181 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.435 -17.865 -5.420 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.628 -17.379 -3.910 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.216 -19.190 -2.113 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.955 -17.477 -1.709 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.606 -18.141 -1.748 1.00 0.00 H new ATOM 434 N PRO A 15 -9.040 -14.856 -5.358 1.00 0.00 N ATOM 435 CA PRO A 15 -8.772 -14.098 -6.580 1.00 0.00 C ATOM 436 C PRO A 15 -8.157 -14.954 -7.701 1.00 0.00 C ATOM 437 O PRO A 15 -7.344 -15.849 -7.452 1.00 0.00 O ATOM 438 CB PRO A 15 -7.834 -12.961 -6.156 1.00 0.00 C ATOM 439 CG PRO A 15 -7.082 -13.552 -4.963 1.00 0.00 C ATOM 440 CD PRO A 15 -8.144 -14.425 -4.297 1.00 0.00 C ATOM 0 HA PRO A 15 -9.701 -13.724 -7.010 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.154 -12.679 -6.960 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -8.388 -12.065 -5.878 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.217 -14.136 -5.278 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.715 -12.776 -4.291 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.688 -15.282 -3.801 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.685 -13.865 -3.534 1.00 0.00 H new ATOM 448 N THR A 16 -8.517 -14.641 -8.948 1.00 0.00 N ATOM 449 CA THR A 16 -7.897 -15.187 -10.172 1.00 0.00 C ATOM 450 C THR A 16 -6.599 -14.492 -10.602 1.00 0.00 C ATOM 451 O THR A 16 -6.295 -13.379 -10.160 1.00 0.00 O ATOM 452 CB THR A 16 -8.895 -15.353 -11.338 1.00 0.00 C ATOM 453 OG1 THR A 16 -8.999 -14.155 -12.078 1.00 0.00 O ATOM 454 CG2 THR A 16 -10.309 -15.757 -10.909 1.00 0.00 C ATOM 0 H THR A 16 -9.270 -13.982 -9.147 1.00 0.00 H new ATOM 0 HA THR A 16 -7.588 -16.191 -9.882 1.00 0.00 H new ATOM 0 HB THR A 16 -8.484 -16.165 -11.938 1.00 0.00 H new ATOM 0 HG1 THR A 16 -9.634 -14.279 -12.814 1.00 0.00 H new ATOM 0 HG21 THR A 16 -10.944 -15.851 -11.790 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.271 -16.712 -10.385 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.720 -14.995 -10.246 1.00 0.00 H new ATOM 462 N ASP A 17 -5.813 -15.143 -11.464 1.00 0.00 N ATOM 463 CA ASP A 17 -4.610 -14.572 -12.089 1.00 0.00 C ATOM 464 C ASP A 17 -4.876 -13.495 -13.159 1.00 0.00 C ATOM 465 O ASP A 17 -4.236 -12.441 -13.161 1.00 0.00 O ATOM 466 CB ASP A 17 -3.675 -15.675 -12.628 1.00 0.00 C ATOM 467 CG ASP A 17 -4.331 -16.778 -13.490 1.00 0.00 C ATOM 468 OD1 ASP A 17 -5.550 -16.721 -13.783 1.00 0.00 O ATOM 469 OD2 ASP A 17 -3.605 -17.725 -13.879 1.00 0.00 O ATOM 0 H ASP A 17 -5.997 -16.103 -11.755 1.00 0.00 H new ATOM 0 HA ASP A 17 -4.107 -14.043 -11.280 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.893 -15.200 -13.220 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.186 -16.152 -11.779 1.00 0.00 H new ATOM 474 N GLY A 18 -5.842 -13.751 -14.045 1.00 0.00 N ATOM 475 CA GLY A 18 -6.200 -12.898 -15.186 1.00 0.00 C ATOM 476 C GLY A 18 -5.313 -13.102 -16.425 1.00 0.00 C ATOM 477 O GLY A 18 -4.165 -13.553 -16.338 1.00 0.00 O ATOM 0 H GLY A 18 -6.420 -14.590 -13.987 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -7.237 -13.092 -15.459 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.141 -11.854 -14.878 1.00 0.00 H new ATOM 481 N ALA A 19 -5.854 -12.777 -17.604 1.00 0.00 N ATOM 482 CA ALA A 19 -5.167 -12.934 -18.890 1.00 0.00 C ATOM 483 C ALA A 19 -3.963 -11.978 -19.036 1.00 0.00 C ATOM 484 O ALA A 19 -4.046 -10.796 -18.690 1.00 0.00 O ATOM 485 CB ALA A 19 -6.184 -12.739 -20.022 1.00 0.00 C ATOM 0 H ALA A 19 -6.794 -12.392 -17.693 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.752 -13.941 -18.943 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.684 -12.854 -20.984 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.975 -13.484 -19.933 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.617 -11.741 -19.955 1.00 0.00 H new ATOM 491 N VAL A 20 -2.848 -12.488 -19.575 1.00 0.00 N ATOM 492 CA VAL A 20 -1.593 -11.737 -19.815 1.00 0.00 C ATOM 493 C VAL A 20 -0.967 -11.057 -18.577 1.00 0.00 C ATOM 494 O VAL A 20 -0.240 -10.066 -18.684 1.00 0.00 O ATOM 495 CB VAL A 20 -1.622 -10.851 -21.090 1.00 0.00 C ATOM 496 CG1 VAL A 20 -0.244 -10.792 -21.769 1.00 0.00 C ATOM 497 CG2 VAL A 20 -2.620 -11.325 -22.162 1.00 0.00 C ATOM 0 H VAL A 20 -2.785 -13.463 -19.867 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.873 -12.525 -20.037 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.932 -9.873 -20.721 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.303 -10.163 -22.657 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.486 -10.373 -21.076 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.064 -11.798 -22.056 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.579 -10.653 -23.020 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.361 -12.335 -22.479 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.628 -11.323 -21.747 1.00 0.00 H new ATOM 507 N THR A 21 -1.271 -11.565 -17.378 1.00 0.00 N ATOM 508 CA THR A 21 -0.812 -10.985 -16.106 1.00 0.00 C ATOM 509 C THR A 21 0.708 -10.913 -15.916 1.00 0.00 C ATOM 510 O THR A 21 1.444 -11.783 -16.389 1.00 0.00 O ATOM 511 CB THR A 21 -1.567 -11.555 -14.897 1.00 0.00 C ATOM 512 OG1 THR A 21 -1.574 -10.597 -13.861 1.00 0.00 O ATOM 513 CG2 THR A 21 -0.958 -12.843 -14.339 1.00 0.00 C ATOM 0 H THR A 21 -1.848 -12.398 -17.259 1.00 0.00 H new ATOM 0 HA THR A 21 -1.087 -9.932 -16.175 1.00 0.00 H new ATOM 0 HB THR A 21 -2.571 -11.791 -15.250 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.057 -10.956 -13.087 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.546 -13.184 -13.487 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.960 -13.611 -15.112 1.00 0.00 H new ATOM 0 HG23 THR A 21 0.067 -12.652 -14.019 1.00 0.00 H new ATOM 521 N THR A 22 1.186 -9.850 -15.261 1.00 0.00 N ATOM 522 CA THR A 22 2.620 -9.550 -15.056 1.00 0.00 C ATOM 523 C THR A 22 3.496 -9.317 -16.304 1.00 0.00 C ATOM 524 O THR A 22 4.713 -9.157 -16.192 1.00 0.00 O ATOM 525 CB THR A 22 3.300 -10.423 -13.969 1.00 0.00 C ATOM 526 OG1 THR A 22 2.363 -11.032 -13.098 1.00 0.00 O ATOM 527 CG2 THR A 22 4.251 -9.631 -13.064 1.00 0.00 C ATOM 0 H THR A 22 0.573 -9.149 -14.844 1.00 0.00 H new ATOM 0 HA THR A 22 2.559 -8.540 -14.650 1.00 0.00 H new ATOM 0 HB THR A 22 3.849 -11.167 -14.546 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.838 -11.572 -12.433 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.693 -10.301 -12.326 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.041 -9.185 -13.668 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.696 -8.844 -12.553 1.00 0.00 H new ATOM 535 N SER A 23 2.889 -9.265 -17.500 1.00 0.00 N ATOM 536 CA SER A 23 3.559 -9.168 -18.813 1.00 0.00 C ATOM 537 C SER A 23 4.578 -10.308 -19.065 1.00 0.00 C ATOM 538 O SER A 23 4.597 -11.320 -18.357 1.00 0.00 O ATOM 539 CB SER A 23 4.155 -7.757 -18.975 1.00 0.00 C ATOM 540 OG SER A 23 4.510 -7.495 -20.326 1.00 0.00 O ATOM 0 H SER A 23 1.873 -9.290 -17.586 1.00 0.00 H new ATOM 0 HA SER A 23 2.814 -9.313 -19.596 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.432 -7.014 -18.637 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.035 -7.657 -18.340 1.00 0.00 H new ATOM 0 HG SER A 23 4.884 -6.592 -20.397 1.00 0.00 H new ATOM 546 N GLN A 24 5.407 -10.185 -20.106 1.00 0.00 N ATOM 547 CA GLN A 24 6.499 -11.121 -20.409 1.00 0.00 C ATOM 548 C GLN A 24 7.587 -11.097 -19.317 1.00 0.00 C ATOM 549 O GLN A 24 7.972 -10.029 -18.827 1.00 0.00 O ATOM 550 CB GLN A 24 7.104 -10.818 -21.790 1.00 0.00 C ATOM 551 CG GLN A 24 6.099 -11.034 -22.936 1.00 0.00 C ATOM 552 CD GLN A 24 6.700 -10.837 -24.330 1.00 0.00 C ATOM 553 OE1 GLN A 24 7.858 -10.479 -24.520 1.00 0.00 O ATOM 554 NE2 GLN A 24 5.931 -11.065 -25.376 1.00 0.00 N ATOM 0 H GLN A 24 5.338 -9.418 -20.775 1.00 0.00 H new ATOM 0 HA GLN A 24 6.078 -12.126 -20.428 1.00 0.00 H new ATOM 0 HB2 GLN A 24 7.456 -9.787 -21.810 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.974 -11.455 -21.949 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.693 -12.043 -22.865 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.264 -10.344 -22.810 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.965 -11.364 -25.243 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.302 -10.943 -26.318 1.00 0.00 H new ATOM 563 N ILE A 25 8.090 -12.275 -18.936 1.00 0.00 N ATOM 564 CA ILE A 25 9.063 -12.439 -17.841 1.00 0.00 C ATOM 565 C ILE A 25 10.481 -11.937 -18.206 1.00 0.00 C ATOM 566 O ILE A 25 10.872 -12.002 -19.378 1.00 0.00 O ATOM 567 CB ILE A 25 9.114 -13.907 -17.349 1.00 0.00 C ATOM 568 CG1 ILE A 25 9.380 -14.921 -18.487 1.00 0.00 C ATOM 569 CG2 ILE A 25 7.806 -14.249 -16.612 1.00 0.00 C ATOM 570 CD1 ILE A 25 9.793 -16.309 -17.981 1.00 0.00 C ATOM 0 H ILE A 25 7.832 -13.155 -19.382 1.00 0.00 H new ATOM 0 HA ILE A 25 8.707 -11.808 -17.027 1.00 0.00 H new ATOM 0 HB ILE A 25 9.959 -13.990 -16.666 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.481 -15.017 -19.096 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.164 -14.531 -19.136 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.843 -15.282 -16.266 1.00 0.00 H new ATOM 0 HG22 ILE A 25 7.686 -13.584 -15.757 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.962 -14.123 -17.291 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.964 -16.970 -18.831 1.00 0.00 H new ATOM 0 HD12 ILE A 25 10.709 -16.225 -17.396 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.000 -16.719 -17.356 1.00 0.00 H new ATOM 582 N PRO A 26 11.275 -11.462 -17.223 1.00 0.00 N ATOM 583 CA PRO A 26 12.702 -11.178 -17.399 1.00 0.00 C ATOM 584 C PRO A 26 13.524 -12.481 -17.508 1.00 0.00 C ATOM 585 O PRO A 26 12.986 -13.590 -17.415 1.00 0.00 O ATOM 586 CB PRO A 26 13.087 -10.355 -16.161 1.00 0.00 C ATOM 587 CG PRO A 26 12.187 -10.934 -15.075 1.00 0.00 C ATOM 588 CD PRO A 26 10.893 -11.229 -15.834 1.00 0.00 C ATOM 0 HA PRO A 26 12.908 -10.637 -18.322 1.00 0.00 H new ATOM 0 HB2 PRO A 26 14.143 -10.467 -15.913 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.906 -9.291 -16.311 1.00 0.00 H new ATOM 0 HG2 PRO A 26 12.613 -11.836 -14.634 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.027 -10.226 -14.261 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.389 -12.101 -15.418 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.198 -10.393 -15.757 1.00 0.00 H new ATOM 596 N ALA A 27 14.845 -12.357 -17.675 1.00 0.00 N ATOM 597 CA ALA A 27 15.774 -13.489 -17.593 1.00 0.00 C ATOM 598 C ALA A 27 15.700 -14.201 -16.223 1.00 0.00 C ATOM 599 O ALA A 27 15.468 -13.568 -15.189 1.00 0.00 O ATOM 600 CB ALA A 27 17.192 -12.989 -17.896 1.00 0.00 C ATOM 0 H ALA A 27 15.301 -11.466 -17.871 1.00 0.00 H new ATOM 0 HA ALA A 27 15.489 -14.235 -18.334 1.00 0.00 H new ATOM 0 HB1 ALA A 27 17.892 -13.823 -17.838 1.00 0.00 H new ATOM 0 HB2 ALA A 27 17.220 -12.560 -18.898 1.00 0.00 H new ATOM 0 HB3 ALA A 27 17.473 -12.228 -17.168 1.00 0.00 H new ATOM 606 N SER A 28 15.936 -15.518 -16.209 1.00 0.00 N ATOM 607 CA SER A 28 15.774 -16.401 -15.034 1.00 0.00 C ATOM 608 C SER A 28 16.705 -16.102 -13.843 1.00 0.00 C ATOM 609 O SER A 28 16.509 -16.640 -12.751 1.00 0.00 O ATOM 610 CB SER A 28 15.929 -17.863 -15.470 1.00 0.00 C ATOM 611 OG SER A 28 17.200 -18.086 -16.066 1.00 0.00 O ATOM 0 H SER A 28 16.255 -16.020 -17.038 1.00 0.00 H new ATOM 0 HA SER A 28 14.771 -16.201 -14.657 1.00 0.00 H new ATOM 0 HB2 SER A 28 15.808 -18.518 -14.607 1.00 0.00 H new ATOM 0 HB3 SER A 28 15.141 -18.120 -16.178 1.00 0.00 H new ATOM 0 HG SER A 28 17.275 -19.026 -16.334 1.00 0.00 H new ATOM 617 N GLU A 29 17.689 -15.216 -14.019 1.00 0.00 N ATOM 618 CA GLU A 29 18.559 -14.688 -12.958 1.00 0.00 C ATOM 619 C GLU A 29 17.804 -13.852 -11.897 1.00 0.00 C ATOM 620 O GLU A 29 18.294 -13.703 -10.774 1.00 0.00 O ATOM 621 CB GLU A 29 19.675 -13.872 -13.645 1.00 0.00 C ATOM 622 CG GLU A 29 20.700 -13.171 -12.732 1.00 0.00 C ATOM 623 CD GLU A 29 21.563 -14.112 -11.859 1.00 0.00 C ATOM 624 OE1 GLU A 29 21.503 -15.358 -12.002 1.00 0.00 O ATOM 625 OE2 GLU A 29 22.353 -13.593 -11.031 1.00 0.00 O ATOM 0 H GLU A 29 17.912 -14.831 -14.937 1.00 0.00 H new ATOM 0 HA GLU A 29 18.978 -15.521 -12.393 1.00 0.00 H new ATOM 0 HB2 GLU A 29 20.219 -14.540 -14.313 1.00 0.00 H new ATOM 0 HB3 GLU A 29 19.203 -13.113 -14.268 1.00 0.00 H new ATOM 0 HG2 GLU A 29 21.363 -12.570 -13.354 1.00 0.00 H new ATOM 0 HG3 GLU A 29 20.166 -12.483 -12.077 1.00 0.00 H new ATOM 632 N GLN A 30 16.613 -13.321 -12.219 1.00 0.00 N ATOM 633 CA GLN A 30 15.838 -12.423 -11.350 1.00 0.00 C ATOM 634 C GLN A 30 14.317 -12.682 -11.418 1.00 0.00 C ATOM 635 O GLN A 30 13.780 -13.090 -12.449 1.00 0.00 O ATOM 636 CB GLN A 30 16.215 -10.970 -11.701 1.00 0.00 C ATOM 637 CG GLN A 30 15.570 -9.916 -10.787 1.00 0.00 C ATOM 638 CD GLN A 30 16.258 -8.556 -10.898 1.00 0.00 C ATOM 639 OE1 GLN A 30 15.824 -7.660 -11.611 1.00 0.00 O ATOM 640 NE2 GLN A 30 17.446 -8.398 -10.348 1.00 0.00 N ATOM 0 H GLN A 30 16.153 -13.509 -13.110 1.00 0.00 H new ATOM 0 HA GLN A 30 16.095 -12.621 -10.309 1.00 0.00 H new ATOM 0 HB2 GLN A 30 17.299 -10.865 -11.650 1.00 0.00 H new ATOM 0 HB3 GLN A 30 15.923 -10.769 -12.732 1.00 0.00 H new ATOM 0 HG2 GLN A 30 14.516 -9.810 -11.045 1.00 0.00 H new ATOM 0 HG3 GLN A 30 15.612 -10.259 -9.753 1.00 0.00 H new ATOM 0 HE21 GLN A 30 17.832 -9.128 -9.750 1.00 0.00 H new ATOM 0 HE22 GLN A 30 17.979 -7.546 -10.521 1.00 0.00 H new ATOM 649 N GLU A 31 13.613 -12.443 -10.307 1.00 0.00 N ATOM 650 CA GLU A 31 12.147 -12.553 -10.197 1.00 0.00 C ATOM 651 C GLU A 31 11.402 -11.485 -11.031 1.00 0.00 C ATOM 652 O GLU A 31 11.912 -10.384 -11.254 1.00 0.00 O ATOM 653 CB GLU A 31 11.771 -12.502 -8.703 1.00 0.00 C ATOM 654 CG GLU A 31 10.261 -12.598 -8.421 1.00 0.00 C ATOM 655 CD GLU A 31 9.910 -12.792 -6.928 1.00 0.00 C ATOM 656 OE1 GLU A 31 10.814 -12.909 -6.065 1.00 0.00 O ATOM 657 OE2 GLU A 31 8.697 -12.838 -6.610 1.00 0.00 O ATOM 0 H GLU A 31 14.055 -12.160 -9.433 1.00 0.00 H new ATOM 0 HA GLU A 31 11.827 -13.505 -10.621 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.277 -13.317 -8.186 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.149 -11.572 -8.278 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.776 -11.691 -8.783 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.848 -13.430 -8.992 1.00 0.00 H new ATOM 664 N THR A 32 10.183 -11.798 -11.486 1.00 0.00 N ATOM 665 CA THR A 32 9.337 -10.915 -12.308 1.00 0.00 C ATOM 666 C THR A 32 9.137 -9.480 -11.813 1.00 0.00 C ATOM 667 O THR A 32 8.743 -9.256 -10.665 1.00 0.00 O ATOM 668 CB THR A 32 7.987 -11.549 -12.690 1.00 0.00 C ATOM 669 OG1 THR A 32 8.078 -12.960 -12.727 1.00 0.00 O ATOM 670 CG2 THR A 32 7.464 -11.069 -14.044 1.00 0.00 C ATOM 0 H THR A 32 9.743 -12.697 -11.289 1.00 0.00 H new ATOM 0 HA THR A 32 9.950 -10.811 -13.203 1.00 0.00 H new ATOM 0 HB THR A 32 7.288 -11.232 -11.916 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.207 -13.338 -12.970 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.510 -11.551 -14.257 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.327 -9.988 -14.019 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.182 -11.325 -14.823 1.00 0.00 H new ATOM 678 N LEU A 33 9.381 -8.511 -12.698 1.00 0.00 N ATOM 679 CA LEU A 33 9.247 -7.075 -12.439 1.00 0.00 C ATOM 680 C LEU A 33 7.936 -6.496 -12.991 1.00 0.00 C ATOM 681 O LEU A 33 7.400 -6.961 -14.000 1.00 0.00 O ATOM 682 CB LEU A 33 10.438 -6.321 -13.059 1.00 0.00 C ATOM 683 CG LEU A 33 11.823 -6.661 -12.479 1.00 0.00 C ATOM 684 CD1 LEU A 33 12.884 -5.944 -13.315 1.00 0.00 C ATOM 685 CD2 LEU A 33 11.968 -6.220 -11.020 1.00 0.00 C ATOM 0 H LEU A 33 9.689 -8.712 -13.650 1.00 0.00 H new ATOM 0 HA LEU A 33 9.234 -6.944 -11.357 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.454 -6.524 -14.130 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.268 -5.251 -12.940 1.00 0.00 H new ATOM 0 HG LEU A 33 11.946 -7.744 -12.512 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.874 -6.172 -12.920 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.820 -6.280 -14.350 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.715 -4.868 -13.272 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.962 -6.482 -10.658 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.830 -5.141 -10.951 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.216 -6.722 -10.412 1.00 0.00 H new ATOM 697 N VAL A 34 7.483 -5.414 -12.359 1.00 0.00 N ATOM 698 CA VAL A 34 6.389 -4.528 -12.777 1.00 0.00 C ATOM 699 C VAL A 34 6.814 -3.068 -12.821 1.00 0.00 C ATOM 700 O VAL A 34 7.775 -2.671 -12.155 1.00 0.00 O ATOM 701 CB VAL A 34 5.093 -4.715 -11.958 1.00 0.00 C ATOM 702 CG1 VAL A 34 4.827 -6.180 -11.644 1.00 0.00 C ATOM 703 CG2 VAL A 34 5.074 -3.950 -10.628 1.00 0.00 C ATOM 0 H VAL A 34 7.898 -5.109 -11.479 1.00 0.00 H new ATOM 0 HA VAL A 34 6.149 -4.833 -13.796 1.00 0.00 H new ATOM 0 HB VAL A 34 4.316 -4.306 -12.605 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.906 -6.267 -11.067 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.726 -6.739 -12.574 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.657 -6.585 -11.066 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.130 -4.135 -10.115 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.899 -4.288 -10.002 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.179 -2.882 -10.821 1.00 0.00 H new ATOM 713 N ARG A 35 6.058 -2.263 -13.575 1.00 0.00 N ATOM 714 CA ARG A 35 6.188 -0.804 -13.626 1.00 0.00 C ATOM 715 C ARG A 35 5.008 -0.141 -12.886 1.00 0.00 C ATOM 716 O ARG A 35 3.965 0.087 -13.501 1.00 0.00 O ATOM 717 CB ARG A 35 6.356 -0.379 -15.101 1.00 0.00 C ATOM 718 CG ARG A 35 6.398 1.134 -15.376 1.00 0.00 C ATOM 719 CD ARG A 35 7.479 1.899 -14.594 1.00 0.00 C ATOM 720 NE ARG A 35 6.873 2.938 -13.738 1.00 0.00 N ATOM 721 CZ ARG A 35 7.007 4.248 -13.819 1.00 0.00 C ATOM 722 NH1 ARG A 35 7.776 4.834 -14.690 1.00 0.00 N ATOM 723 NH2 ARG A 35 6.330 4.992 -12.996 1.00 0.00 N ATOM 0 H ARG A 35 5.320 -2.618 -14.182 1.00 0.00 H new ATOM 0 HA ARG A 35 7.077 -0.457 -13.100 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.277 -0.821 -15.481 1.00 0.00 H new ATOM 0 HB3 ARG A 35 5.535 -0.808 -15.676 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.560 1.291 -16.442 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.424 1.561 -15.135 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.050 1.203 -13.979 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.180 2.359 -15.290 1.00 0.00 H new ATOM 0 HE ARG A 35 6.273 2.599 -12.986 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.312 4.276 -15.354 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.842 5.852 -14.709 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.713 4.560 -12.308 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.416 6.008 -13.038 1.00 0.00 H new ATOM 737 N PRO A 36 5.124 0.140 -11.570 1.00 0.00 N ATOM 738 CA PRO A 36 4.075 0.830 -10.812 1.00 0.00 C ATOM 739 C PRO A 36 3.859 2.267 -11.312 1.00 0.00 C ATOM 740 O PRO A 36 4.818 2.929 -11.728 1.00 0.00 O ATOM 741 CB PRO A 36 4.530 0.788 -9.348 1.00 0.00 C ATOM 742 CG PRO A 36 6.046 0.635 -9.425 1.00 0.00 C ATOM 743 CD PRO A 36 6.257 -0.172 -10.702 1.00 0.00 C ATOM 0 HA PRO A 36 3.107 0.344 -10.937 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.249 1.698 -8.819 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.073 -0.045 -8.814 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.545 1.603 -9.474 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.442 0.116 -8.552 1.00 0.00 H new ATOM 0 HD2 PRO A 36 7.199 0.095 -11.180 1.00 0.00 H new ATOM 0 HD3 PRO A 36 6.300 -1.239 -10.486 1.00 0.00 H new ATOM 751 N LYS A 37 2.614 2.764 -11.279 1.00 0.00 N ATOM 752 CA LYS A 37 2.257 4.104 -11.794 1.00 0.00 C ATOM 753 C LYS A 37 2.991 5.229 -11.032 1.00 0.00 C ATOM 754 O LYS A 37 3.387 5.005 -9.887 1.00 0.00 O ATOM 755 CB LYS A 37 0.722 4.289 -11.817 1.00 0.00 C ATOM 756 CG LYS A 37 0.059 4.603 -10.460 1.00 0.00 C ATOM 757 CD LYS A 37 -1.427 4.976 -10.623 1.00 0.00 C ATOM 758 CE LYS A 37 -2.313 3.742 -10.834 1.00 0.00 C ATOM 759 NZ LYS A 37 -3.706 4.105 -11.207 1.00 0.00 N ATOM 0 H LYS A 37 1.821 2.251 -10.895 1.00 0.00 H new ATOM 0 HA LYS A 37 2.602 4.176 -12.826 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.483 5.095 -12.511 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.272 3.380 -12.217 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.147 3.737 -9.803 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.589 5.424 -9.978 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.764 5.516 -9.738 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.540 5.652 -11.471 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.881 3.117 -11.615 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.327 3.147 -9.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.267 3.239 -11.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.129 4.680 -10.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.697 4.650 -12.093 1.00 0.00 H new ATOM 773 N PRO A 38 3.162 6.440 -11.603 1.00 0.00 N ATOM 774 CA PRO A 38 3.983 7.503 -11.003 1.00 0.00 C ATOM 775 C PRO A 38 3.611 7.884 -9.563 1.00 0.00 C ATOM 776 O PRO A 38 4.502 8.106 -8.743 1.00 0.00 O ATOM 777 CB PRO A 38 3.852 8.701 -11.951 1.00 0.00 C ATOM 778 CG PRO A 38 3.609 8.043 -13.306 1.00 0.00 C ATOM 779 CD PRO A 38 2.744 6.839 -12.943 1.00 0.00 C ATOM 0 HA PRO A 38 5.008 7.148 -10.901 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.027 9.353 -11.665 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.754 9.312 -11.955 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.099 8.715 -13.997 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.542 7.743 -13.783 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.685 7.098 -12.962 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.886 6.026 -13.655 1.00 0.00 H new ATOM 787 N LEU A 39 2.315 7.896 -9.225 1.00 0.00 N ATOM 788 CA LEU A 39 1.833 8.151 -7.859 1.00 0.00 C ATOM 789 C LEU A 39 2.321 7.085 -6.861 1.00 0.00 C ATOM 790 O LEU A 39 2.778 7.423 -5.768 1.00 0.00 O ATOM 791 CB LEU A 39 0.294 8.197 -7.847 1.00 0.00 C ATOM 792 CG LEU A 39 -0.383 9.305 -8.670 1.00 0.00 C ATOM 793 CD1 LEU A 39 -1.899 9.135 -8.544 1.00 0.00 C ATOM 794 CD2 LEU A 39 -0.006 10.704 -8.179 1.00 0.00 C ATOM 0 H LEU A 39 1.565 7.728 -9.896 1.00 0.00 H new ATOM 0 HA LEU A 39 2.241 9.112 -7.545 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.075 7.236 -8.206 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.033 8.298 -6.812 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.049 9.214 -9.703 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.401 9.912 -9.121 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.188 8.156 -8.925 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.188 9.217 -7.496 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.509 11.452 -8.792 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.313 10.820 -7.140 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.073 10.838 -8.256 1.00 0.00 H new ATOM 806 N LEU A 40 2.256 5.802 -7.239 1.00 0.00 N ATOM 807 CA LEU A 40 2.725 4.691 -6.410 1.00 0.00 C ATOM 808 C LEU A 40 4.247 4.705 -6.325 1.00 0.00 C ATOM 809 O LEU A 40 4.803 4.622 -5.239 1.00 0.00 O ATOM 810 CB LEU A 40 2.208 3.352 -6.970 1.00 0.00 C ATOM 811 CG LEU A 40 2.733 2.115 -6.212 1.00 0.00 C ATOM 812 CD1 LEU A 40 2.407 2.162 -4.718 1.00 0.00 C ATOM 813 CD2 LEU A 40 2.110 0.842 -6.777 1.00 0.00 C ATOM 0 H LEU A 40 1.873 5.506 -8.137 1.00 0.00 H new ATOM 0 HA LEU A 40 2.330 4.807 -5.401 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.119 3.351 -6.937 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.495 3.273 -8.019 1.00 0.00 H new ATOM 0 HG LEU A 40 3.815 2.117 -6.341 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.799 1.268 -4.232 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.864 3.046 -4.274 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.326 2.205 -4.583 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.490 -0.022 -6.232 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.026 0.889 -6.671 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.368 0.748 -7.832 1.00 0.00 H new ATOM 825 N LEU A 41 4.933 4.873 -7.454 1.00 0.00 N ATOM 826 CA LEU A 41 6.389 4.940 -7.490 1.00 0.00 C ATOM 827 C LEU A 41 6.940 6.054 -6.582 1.00 0.00 C ATOM 828 O LEU A 41 7.875 5.820 -5.816 1.00 0.00 O ATOM 829 CB LEU A 41 6.829 5.074 -8.955 1.00 0.00 C ATOM 830 CG LEU A 41 8.351 5.186 -9.108 1.00 0.00 C ATOM 831 CD1 LEU A 41 9.070 4.010 -8.447 1.00 0.00 C ATOM 832 CD2 LEU A 41 8.717 5.217 -10.588 1.00 0.00 C ATOM 0 H LEU A 41 4.493 4.966 -8.369 1.00 0.00 H new ATOM 0 HA LEU A 41 6.814 4.022 -7.083 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.474 4.210 -9.517 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.358 5.954 -9.392 1.00 0.00 H new ATOM 0 HG LEU A 41 8.667 6.107 -8.617 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.146 4.123 -8.575 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.832 3.989 -7.384 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.745 3.078 -8.910 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.799 5.297 -10.694 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.372 4.301 -11.067 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.242 6.076 -11.062 1.00 0.00 H new ATOM 844 N LYS A 42 6.309 7.233 -6.587 1.00 0.00 N ATOM 845 CA LYS A 42 6.612 8.326 -5.652 1.00 0.00 C ATOM 846 C LYS A 42 6.356 7.944 -4.185 1.00 0.00 C ATOM 847 O LYS A 42 7.158 8.288 -3.318 1.00 0.00 O ATOM 848 CB LYS A 42 5.786 9.554 -6.068 1.00 0.00 C ATOM 849 CG LYS A 42 6.027 10.782 -5.176 1.00 0.00 C ATOM 850 CD LYS A 42 5.338 12.045 -5.716 1.00 0.00 C ATOM 851 CE LYS A 42 3.806 11.936 -5.692 1.00 0.00 C ATOM 852 NZ LYS A 42 3.166 13.197 -6.152 1.00 0.00 N ATOM 0 H LYS A 42 5.565 7.459 -7.247 1.00 0.00 H new ATOM 0 HA LYS A 42 7.677 8.552 -5.708 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.025 9.811 -7.100 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.727 9.297 -6.041 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.661 10.574 -4.170 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.099 10.963 -5.094 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.647 12.905 -5.122 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.670 12.227 -6.738 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.488 11.111 -6.330 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.472 11.704 -4.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.132 13.092 -6.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.451 13.979 -5.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.467 13.404 -7.126 1.00 0.00 H new ATOM 866 N LEU A 43 5.283 7.201 -3.899 1.00 0.00 N ATOM 867 CA LEU A 43 4.961 6.701 -2.554 1.00 0.00 C ATOM 868 C LEU A 43 6.020 5.699 -2.056 1.00 0.00 C ATOM 869 O LEU A 43 6.480 5.793 -0.919 1.00 0.00 O ATOM 870 CB LEU A 43 3.532 6.120 -2.570 1.00 0.00 C ATOM 871 CG LEU A 43 3.021 5.600 -1.214 1.00 0.00 C ATOM 872 CD1 LEU A 43 1.493 5.685 -1.185 1.00 0.00 C ATOM 873 CD2 LEU A 43 3.393 4.135 -0.957 1.00 0.00 C ATOM 0 H LEU A 43 4.601 6.924 -4.605 1.00 0.00 H new ATOM 0 HA LEU A 43 4.985 7.521 -1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.848 6.890 -2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.497 5.303 -3.291 1.00 0.00 H new ATOM 0 HG LEU A 43 3.488 6.220 -0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.126 5.318 -0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.184 6.722 -1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.079 5.076 -1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.005 3.826 0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.961 3.508 -1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.478 4.028 -0.965 1.00 0.00 H new ATOM 885 N LEU A 44 6.465 4.783 -2.924 1.00 0.00 N ATOM 886 CA LEU A 44 7.545 3.828 -2.646 1.00 0.00 C ATOM 887 C LEU A 44 8.880 4.568 -2.411 1.00 0.00 C ATOM 888 O LEU A 44 9.575 4.323 -1.425 1.00 0.00 O ATOM 889 CB LEU A 44 7.646 2.812 -3.811 1.00 0.00 C ATOM 890 CG LEU A 44 6.375 1.985 -4.107 1.00 0.00 C ATOM 891 CD1 LEU A 44 6.525 1.242 -5.439 1.00 0.00 C ATOM 892 CD2 LEU A 44 6.082 0.938 -3.042 1.00 0.00 C ATOM 0 H LEU A 44 6.075 4.683 -3.861 1.00 0.00 H new ATOM 0 HA LEU A 44 7.320 3.279 -1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.920 3.354 -4.716 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.461 2.122 -3.594 1.00 0.00 H new ATOM 0 HG LEU A 44 5.555 2.703 -4.132 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.623 0.663 -5.636 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.676 1.963 -6.243 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.383 0.571 -5.387 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.177 0.391 -3.308 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.919 0.243 -2.975 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.939 1.428 -2.079 1.00 0.00 H new ATOM 904 N LYS A 45 9.225 5.540 -3.264 1.00 0.00 N ATOM 905 CA LYS A 45 10.421 6.392 -3.110 1.00 0.00 C ATOM 906 C LYS A 45 10.390 7.332 -1.901 1.00 0.00 C ATOM 907 O LYS A 45 11.454 7.666 -1.381 1.00 0.00 O ATOM 908 CB LYS A 45 10.669 7.164 -4.411 1.00 0.00 C ATOM 909 CG LYS A 45 11.287 6.261 -5.484 1.00 0.00 C ATOM 910 CD LYS A 45 11.095 6.947 -6.834 1.00 0.00 C ATOM 911 CE LYS A 45 11.685 6.145 -7.985 1.00 0.00 C ATOM 912 NZ LYS A 45 13.163 6.274 -8.094 1.00 0.00 N ATOM 0 H LYS A 45 8.676 5.764 -4.094 1.00 0.00 H new ATOM 0 HA LYS A 45 11.254 5.719 -2.906 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.729 7.576 -4.777 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.332 8.007 -4.216 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.346 6.099 -5.284 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.809 5.281 -5.481 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.031 7.101 -7.011 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.560 7.933 -6.806 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.427 5.094 -7.856 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.229 6.473 -8.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.416 6.560 -9.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.499 6.992 -7.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.608 5.360 -7.876 1.00 0.00 H new ATOM 926 N SER A 46 9.210 7.673 -1.377 1.00 0.00 N ATOM 927 CA SER A 46 9.062 8.404 -0.103 1.00 0.00 C ATOM 928 C SER A 46 9.578 7.612 1.112 1.00 0.00 C ATOM 929 O SER A 46 9.899 8.206 2.142 1.00 0.00 O ATOM 930 CB SER A 46 7.605 8.820 0.130 1.00 0.00 C ATOM 931 OG SER A 46 7.178 9.712 -0.885 1.00 0.00 O ATOM 0 H SER A 46 8.320 7.451 -1.823 1.00 0.00 H new ATOM 0 HA SER A 46 9.683 9.295 -0.197 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.965 7.938 0.140 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.507 9.296 1.106 1.00 0.00 H new ATOM 0 HG SER A 46 7.147 9.240 -1.743 1.00 0.00 H new ATOM 937 N VAL A 47 9.715 6.284 0.977 1.00 0.00 N ATOM 938 CA VAL A 47 10.398 5.383 1.931 1.00 0.00 C ATOM 939 C VAL A 47 11.683 4.757 1.351 1.00 0.00 C ATOM 940 O VAL A 47 12.192 3.763 1.873 1.00 0.00 O ATOM 941 CB VAL A 47 9.432 4.351 2.546 1.00 0.00 C ATOM 942 CG1 VAL A 47 8.269 5.039 3.266 1.00 0.00 C ATOM 943 CG2 VAL A 47 8.852 3.369 1.521 1.00 0.00 C ATOM 0 H VAL A 47 9.340 5.784 0.171 1.00 0.00 H new ATOM 0 HA VAL A 47 10.738 6.004 2.760 1.00 0.00 H new ATOM 0 HB VAL A 47 10.038 3.784 3.253 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.606 4.285 3.689 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.658 5.669 4.066 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.714 5.653 2.557 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.181 2.672 2.024 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.299 3.921 0.761 1.00 0.00 H new ATOM 0 HG23 VAL A 47 9.663 2.815 1.049 1.00 0.00 H new ATOM 953 N GLY A 48 12.249 5.361 0.298 1.00 0.00 N ATOM 954 CA GLY A 48 13.582 5.045 -0.228 1.00 0.00 C ATOM 955 C GLY A 48 13.679 3.793 -1.106 1.00 0.00 C ATOM 956 O GLY A 48 14.700 3.103 -1.059 1.00 0.00 O ATOM 0 H GLY A 48 11.780 6.101 -0.224 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.934 5.899 -0.807 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.264 4.928 0.614 1.00 0.00 H new ATOM 960 N ALA A 49 12.651 3.480 -1.905 1.00 0.00 N ATOM 961 CA ALA A 49 12.626 2.275 -2.738 1.00 0.00 C ATOM 962 C ALA A 49 13.651 2.290 -3.905 1.00 0.00 C ATOM 963 O ALA A 49 14.070 1.232 -4.379 1.00 0.00 O ATOM 964 CB ALA A 49 11.180 2.120 -3.202 1.00 0.00 C ATOM 0 H ALA A 49 11.814 4.056 -1.991 1.00 0.00 H new ATOM 0 HA ALA A 49 12.947 1.408 -2.160 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.093 1.234 -3.831 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.529 2.014 -2.334 1.00 0.00 H new ATOM 0 HB3 ALA A 49 10.884 3.001 -3.772 1.00 0.00 H new ATOM 970 N GLN A 50 14.109 3.488 -4.303 1.00 0.00 N ATOM 971 CA GLN A 50 15.209 3.804 -5.235 1.00 0.00 C ATOM 972 C GLN A 50 15.036 3.400 -6.716 1.00 0.00 C ATOM 973 O GLN A 50 15.290 4.232 -7.590 1.00 0.00 O ATOM 974 CB GLN A 50 16.551 3.336 -4.627 1.00 0.00 C ATOM 975 CG GLN A 50 17.803 3.625 -5.479 1.00 0.00 C ATOM 976 CD GLN A 50 18.110 5.110 -5.693 1.00 0.00 C ATOM 977 OE1 GLN A 50 17.561 6.008 -5.065 1.00 0.00 O ATOM 978 NE2 GLN A 50 19.021 5.433 -6.588 1.00 0.00 N ATOM 0 H GLN A 50 13.679 4.342 -3.948 1.00 0.00 H new ATOM 0 HA GLN A 50 15.194 4.890 -5.327 1.00 0.00 H new ATOM 0 HB2 GLN A 50 16.676 3.814 -3.655 1.00 0.00 H new ATOM 0 HB3 GLN A 50 16.494 2.262 -4.449 1.00 0.00 H new ATOM 0 HG2 GLN A 50 18.664 3.156 -5.003 1.00 0.00 H new ATOM 0 HG3 GLN A 50 17.679 3.151 -6.453 1.00 0.00 H new ATOM 0 HE21 GLN A 50 19.492 4.703 -7.123 1.00 0.00 H new ATOM 0 HE22 GLN A 50 19.256 6.413 -6.746 1.00 0.00 H new ATOM 987 N LYS A 51 14.611 2.169 -7.022 1.00 0.00 N ATOM 988 CA LYS A 51 14.467 1.634 -8.394 1.00 0.00 C ATOM 989 C LYS A 51 13.327 2.286 -9.196 1.00 0.00 C ATOM 990 O LYS A 51 12.525 3.057 -8.663 1.00 0.00 O ATOM 991 CB LYS A 51 14.273 0.105 -8.339 1.00 0.00 C ATOM 992 CG LYS A 51 15.392 -0.641 -7.592 1.00 0.00 C ATOM 993 CD LYS A 51 15.277 -2.163 -7.760 1.00 0.00 C ATOM 994 CE LYS A 51 13.991 -2.725 -7.137 1.00 0.00 C ATOM 995 NZ LYS A 51 13.837 -4.169 -7.432 1.00 0.00 N ATOM 0 H LYS A 51 14.348 1.492 -6.306 1.00 0.00 H new ATOM 0 HA LYS A 51 15.388 1.881 -8.923 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.320 -0.113 -7.857 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.210 -0.280 -9.357 1.00 0.00 H new ATOM 0 HG2 LYS A 51 16.361 -0.307 -7.963 1.00 0.00 H new ATOM 0 HG3 LYS A 51 15.352 -0.389 -6.532 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.302 -2.412 -8.821 1.00 0.00 H new ATOM 0 HD3 LYS A 51 16.140 -2.643 -7.299 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.010 -2.572 -6.058 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.129 -2.179 -7.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.893 -4.486 -7.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.948 -4.328 -8.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.562 -4.708 -6.917 1.00 0.00 H new ATOM 1009 N ASP A 52 13.235 1.952 -10.483 1.00 0.00 N ATOM 1010 CA ASP A 52 12.109 2.275 -11.377 1.00 0.00 C ATOM 1011 C ASP A 52 11.132 1.105 -11.632 1.00 0.00 C ATOM 1012 O ASP A 52 10.057 1.301 -12.207 1.00 0.00 O ATOM 1013 CB ASP A 52 12.631 2.851 -12.707 1.00 0.00 C ATOM 1014 CG ASP A 52 13.646 1.965 -13.459 1.00 0.00 C ATOM 1015 OD1 ASP A 52 13.834 0.777 -13.101 1.00 0.00 O ATOM 1016 OD2 ASP A 52 14.255 2.466 -14.434 1.00 0.00 O ATOM 0 H ASP A 52 13.970 1.427 -10.957 1.00 0.00 H new ATOM 0 HA ASP A 52 11.521 3.027 -10.851 1.00 0.00 H new ATOM 0 HB2 ASP A 52 11.780 3.035 -13.362 1.00 0.00 H new ATOM 0 HB3 ASP A 52 13.095 3.817 -12.508 1.00 0.00 H new ATOM 1021 N THR A 53 11.494 -0.110 -11.209 1.00 0.00 N ATOM 1022 CA THR A 53 10.792 -1.374 -11.500 1.00 0.00 C ATOM 1023 C THR A 53 10.958 -2.272 -10.269 1.00 0.00 C ATOM 1024 O THR A 53 12.005 -2.276 -9.613 1.00 0.00 O ATOM 1025 CB THR A 53 11.428 -2.115 -12.693 1.00 0.00 C ATOM 1026 OG1 THR A 53 12.840 -2.013 -12.724 1.00 0.00 O ATOM 1027 CG2 THR A 53 10.899 -1.619 -14.035 1.00 0.00 C ATOM 0 H THR A 53 12.321 -0.251 -10.628 1.00 0.00 H new ATOM 0 HA THR A 53 9.751 -1.155 -11.737 1.00 0.00 H new ATOM 0 HB THR A 53 11.146 -3.157 -12.541 1.00 0.00 H new ATOM 0 HG1 THR A 53 13.097 -1.081 -12.883 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.378 -2.173 -14.842 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.821 -1.772 -14.080 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.119 -0.557 -14.143 1.00 0.00 H new ATOM 1035 N TYR A 54 9.915 -3.048 -9.953 1.00 0.00 N ATOM 1036 CA TYR A 54 9.796 -3.788 -8.686 1.00 0.00 C ATOM 1037 C TYR A 54 9.048 -5.118 -8.791 1.00 0.00 C ATOM 1038 O TYR A 54 8.205 -5.276 -9.670 1.00 0.00 O ATOM 1039 CB TYR A 54 9.061 -2.911 -7.659 1.00 0.00 C ATOM 1040 CG TYR A 54 9.773 -1.633 -7.276 1.00 0.00 C ATOM 1041 CD1 TYR A 54 10.675 -1.615 -6.195 1.00 0.00 C ATOM 1042 CD2 TYR A 54 9.541 -0.463 -8.025 1.00 0.00 C ATOM 1043 CE1 TYR A 54 11.330 -0.419 -5.851 1.00 0.00 C ATOM 1044 CE2 TYR A 54 10.216 0.724 -7.698 1.00 0.00 C ATOM 1045 CZ TYR A 54 11.086 0.757 -6.593 1.00 0.00 C ATOM 1046 OH TYR A 54 11.705 1.921 -6.274 1.00 0.00 O ATOM 0 H TYR A 54 9.119 -3.183 -10.576 1.00 0.00 H new ATOM 0 HA TYR A 54 10.817 -4.022 -8.385 1.00 0.00 H new ATOM 0 HB2 TYR A 54 8.080 -2.655 -8.059 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.894 -3.499 -6.757 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.863 -2.517 -5.632 1.00 0.00 H new ATOM 0 HD2 TYR A 54 8.844 -0.479 -8.850 1.00 0.00 H new ATOM 0 HE1 TYR A 54 12.019 -0.400 -5.020 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.067 1.612 -8.295 1.00 0.00 H new ATOM 0 HH TYR A 54 11.987 2.377 -7.094 1.00 0.00 H new ATOM 1056 N THR A 55 9.310 -6.066 -7.892 1.00 0.00 N ATOM 1057 CA THR A 55 8.443 -7.249 -7.718 1.00 0.00 C ATOM 1058 C THR A 55 7.153 -6.928 -6.953 1.00 0.00 C ATOM 1059 O THR A 55 7.119 -5.971 -6.176 1.00 0.00 O ATOM 1060 CB THR A 55 9.156 -8.493 -7.158 1.00 0.00 C ATOM 1061 OG1 THR A 55 9.102 -8.488 -5.747 1.00 0.00 O ATOM 1062 CG2 THR A 55 10.619 -8.642 -7.577 1.00 0.00 C ATOM 0 H THR A 55 10.116 -6.045 -7.267 1.00 0.00 H new ATOM 0 HA THR A 55 8.158 -7.525 -8.733 1.00 0.00 H new ATOM 0 HB THR A 55 8.617 -9.338 -7.586 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.556 -9.284 -5.399 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.034 -9.547 -7.133 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.681 -8.709 -8.663 1.00 0.00 H new ATOM 0 HG23 THR A 55 11.186 -7.777 -7.234 1.00 0.00 H new ATOM 1070 N MET A 56 6.086 -7.721 -7.100 1.00 0.00 N ATOM 1071 CA MET A 56 4.862 -7.530 -6.303 1.00 0.00 C ATOM 1072 C MET A 56 5.104 -7.669 -4.788 1.00 0.00 C ATOM 1073 O MET A 56 4.465 -6.974 -3.995 1.00 0.00 O ATOM 1074 CB MET A 56 3.775 -8.505 -6.778 1.00 0.00 C ATOM 1075 CG MET A 56 3.366 -8.255 -8.238 1.00 0.00 C ATOM 1076 SD MET A 56 2.755 -6.593 -8.609 1.00 0.00 S ATOM 1077 CE MET A 56 1.074 -6.925 -8.088 1.00 0.00 C ATOM 0 H MET A 56 6.042 -8.498 -7.759 1.00 0.00 H new ATOM 0 HA MET A 56 4.526 -6.505 -6.462 1.00 0.00 H new ATOM 0 HB2 MET A 56 4.137 -9.528 -6.674 1.00 0.00 H new ATOM 0 HB3 MET A 56 2.899 -8.410 -6.136 1.00 0.00 H new ATOM 0 HG2 MET A 56 4.226 -8.457 -8.876 1.00 0.00 H new ATOM 0 HG3 MET A 56 2.593 -8.975 -8.508 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.477 -6.018 -8.186 1.00 0.00 H new ATOM 0 HE2 MET A 56 0.648 -7.710 -8.713 1.00 0.00 H new ATOM 0 HE3 MET A 56 1.073 -7.249 -7.047 1.00 0.00 H new ATOM 1087 N LYS A 57 6.076 -8.503 -4.381 1.00 0.00 N ATOM 1088 CA LYS A 57 6.529 -8.641 -2.990 1.00 0.00 C ATOM 1089 C LYS A 57 7.207 -7.357 -2.497 1.00 0.00 C ATOM 1090 O LYS A 57 6.904 -6.885 -1.405 1.00 0.00 O ATOM 1091 CB LYS A 57 7.498 -9.836 -2.908 1.00 0.00 C ATOM 1092 CG LYS A 57 7.655 -10.390 -1.484 1.00 0.00 C ATOM 1093 CD LYS A 57 6.610 -11.474 -1.184 1.00 0.00 C ATOM 1094 CE LYS A 57 6.861 -12.096 0.195 1.00 0.00 C ATOM 1095 NZ LYS A 57 6.019 -13.297 0.415 1.00 0.00 N ATOM 0 H LYS A 57 6.579 -9.113 -5.026 1.00 0.00 H new ATOM 0 HA LYS A 57 5.668 -8.817 -2.345 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.141 -10.631 -3.563 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.475 -9.530 -3.282 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.656 -10.804 -1.362 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.556 -9.578 -0.764 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.610 -11.042 -1.218 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.650 -12.248 -1.951 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.913 -12.367 0.286 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.653 -11.359 0.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.113 -13.611 1.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.024 -13.064 0.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.328 -14.059 -0.222 1.00 0.00 H new ATOM 1109 N GLU A 58 8.076 -6.762 -3.317 1.00 0.00 N ATOM 1110 CA GLU A 58 8.739 -5.481 -3.030 1.00 0.00 C ATOM 1111 C GLU A 58 7.753 -4.307 -2.948 1.00 0.00 C ATOM 1112 O GLU A 58 7.854 -3.491 -2.029 1.00 0.00 O ATOM 1113 CB GLU A 58 9.793 -5.172 -4.100 1.00 0.00 C ATOM 1114 CG GLU A 58 11.027 -6.081 -4.027 1.00 0.00 C ATOM 1115 CD GLU A 58 11.990 -5.854 -5.207 1.00 0.00 C ATOM 1116 OE1 GLU A 58 11.597 -5.259 -6.239 1.00 0.00 O ATOM 1117 OE2 GLU A 58 13.175 -6.256 -5.110 1.00 0.00 O ATOM 0 H GLU A 58 8.346 -7.161 -4.216 1.00 0.00 H new ATOM 0 HA GLU A 58 9.211 -5.592 -2.054 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.338 -5.270 -5.086 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.110 -4.134 -3.997 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.554 -5.900 -3.090 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.708 -7.123 -4.017 1.00 0.00 H new ATOM 1124 N VAL A 59 6.776 -4.237 -3.863 1.00 0.00 N ATOM 1125 CA VAL A 59 5.718 -3.210 -3.843 1.00 0.00 C ATOM 1126 C VAL A 59 4.910 -3.335 -2.548 1.00 0.00 C ATOM 1127 O VAL A 59 4.765 -2.336 -1.847 1.00 0.00 O ATOM 1128 CB VAL A 59 4.798 -3.305 -5.079 1.00 0.00 C ATOM 1129 CG1 VAL A 59 3.594 -2.358 -4.984 1.00 0.00 C ATOM 1130 CG2 VAL A 59 5.554 -2.932 -6.360 1.00 0.00 C ATOM 0 H VAL A 59 6.695 -4.892 -4.641 1.00 0.00 H new ATOM 0 HA VAL A 59 6.192 -2.229 -3.880 1.00 0.00 H new ATOM 0 HB VAL A 59 4.456 -4.340 -5.110 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.978 -2.462 -5.877 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.002 -2.609 -4.104 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.946 -1.329 -4.904 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.882 -3.008 -7.214 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.925 -1.910 -6.279 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.394 -3.613 -6.498 1.00 0.00 H new ATOM 1140 N LEU A 60 4.439 -4.537 -2.182 1.00 0.00 N ATOM 1141 CA LEU A 60 3.726 -4.754 -0.914 1.00 0.00 C ATOM 1142 C LEU A 60 4.599 -4.398 0.298 1.00 0.00 C ATOM 1143 O LEU A 60 4.113 -3.734 1.212 1.00 0.00 O ATOM 1144 CB LEU A 60 3.240 -6.213 -0.806 1.00 0.00 C ATOM 1145 CG LEU A 60 1.960 -6.521 -1.605 1.00 0.00 C ATOM 1146 CD1 LEU A 60 1.697 -8.025 -1.586 1.00 0.00 C ATOM 1147 CD2 LEU A 60 0.724 -5.842 -1.003 1.00 0.00 C ATOM 0 H LEU A 60 4.540 -5.378 -2.750 1.00 0.00 H new ATOM 0 HA LEU A 60 2.862 -4.090 -0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.036 -6.874 -1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.063 -6.447 0.244 1.00 0.00 H new ATOM 0 HG LEU A 60 2.121 -6.147 -2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.791 -8.243 -2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.541 -8.548 -2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.571 -8.359 -0.556 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.154 -6.088 -1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.578 -6.193 0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.868 -4.762 -0.999 1.00 0.00 H new ATOM 1159 N PHE A 61 5.876 -4.789 0.307 1.00 0.00 N ATOM 1160 CA PHE A 61 6.825 -4.419 1.359 1.00 0.00 C ATOM 1161 C PHE A 61 6.988 -2.913 1.605 1.00 0.00 C ATOM 1162 O PHE A 61 6.731 -2.423 2.707 1.00 0.00 O ATOM 1163 CB PHE A 61 8.156 -5.174 1.201 1.00 0.00 C ATOM 1164 CG PHE A 61 9.303 -4.625 2.031 1.00 0.00 C ATOM 1165 CD1 PHE A 61 9.452 -5.026 3.372 1.00 0.00 C ATOM 1166 CD2 PHE A 61 10.212 -3.703 1.474 1.00 0.00 C ATOM 1167 CE1 PHE A 61 10.494 -4.501 4.157 1.00 0.00 C ATOM 1168 CE2 PHE A 61 11.257 -3.182 2.259 1.00 0.00 C ATOM 1169 CZ PHE A 61 11.396 -3.577 3.600 1.00 0.00 C ATOM 0 H PHE A 61 6.283 -5.376 -0.421 1.00 0.00 H new ATOM 0 HA PHE A 61 6.369 -4.754 2.291 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.999 -6.219 1.470 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.445 -5.156 0.150 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.763 -5.740 3.800 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.106 -3.396 0.444 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.601 -4.807 5.187 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.954 -2.477 1.830 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.195 -3.171 4.203 1.00 0.00 H new ATOM 1179 N TYR A 62 7.349 -2.169 0.557 1.00 0.00 N ATOM 1180 CA TYR A 62 7.492 -0.715 0.610 1.00 0.00 C ATOM 1181 C TYR A 62 6.203 0.085 0.863 1.00 0.00 C ATOM 1182 O TYR A 62 6.206 1.037 1.643 1.00 0.00 O ATOM 1183 CB TYR A 62 8.284 -0.202 -0.598 1.00 0.00 C ATOM 1184 CG TYR A 62 9.781 -0.450 -0.579 1.00 0.00 C ATOM 1185 CD1 TYR A 62 10.592 0.131 0.416 1.00 0.00 C ATOM 1186 CD2 TYR A 62 10.370 -1.226 -1.596 1.00 0.00 C ATOM 1187 CE1 TYR A 62 11.986 -0.060 0.392 1.00 0.00 C ATOM 1188 CE2 TYR A 62 11.763 -1.429 -1.620 1.00 0.00 C ATOM 1189 CZ TYR A 62 12.576 -0.847 -0.622 1.00 0.00 C ATOM 1190 OH TYR A 62 13.925 -1.032 -0.634 1.00 0.00 O ATOM 0 H TYR A 62 7.552 -2.565 -0.361 1.00 0.00 H new ATOM 0 HA TYR A 62 8.067 -0.523 1.516 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.873 -0.663 -1.496 1.00 0.00 H new ATOM 0 HB3 TYR A 62 8.117 0.872 -0.685 1.00 0.00 H new ATOM 0 HD1 TYR A 62 10.143 0.724 1.199 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.750 -1.668 -2.362 1.00 0.00 H new ATOM 0 HE1 TYR A 62 12.606 0.396 1.150 1.00 0.00 H new ATOM 0 HE2 TYR A 62 12.209 -2.028 -2.400 1.00 0.00 H new ATOM 0 HH TYR A 62 14.171 -1.598 -1.395 1.00 0.00 H new ATOM 1200 N LEU A 63 5.081 -0.340 0.273 1.00 0.00 N ATOM 1201 CA LEU A 63 3.750 0.222 0.526 1.00 0.00 C ATOM 1202 C LEU A 63 3.341 0.041 1.998 1.00 0.00 C ATOM 1203 O LEU A 63 2.926 0.999 2.649 1.00 0.00 O ATOM 1204 CB LEU A 63 2.766 -0.445 -0.454 1.00 0.00 C ATOM 1205 CG LEU A 63 1.282 -0.081 -0.293 1.00 0.00 C ATOM 1206 CD1 LEU A 63 1.039 1.418 -0.430 1.00 0.00 C ATOM 1207 CD2 LEU A 63 0.469 -0.790 -1.379 1.00 0.00 C ATOM 0 H LEU A 63 5.072 -1.100 -0.408 1.00 0.00 H new ATOM 0 HA LEU A 63 3.747 1.299 0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.071 -0.191 -1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.865 -1.526 -0.353 1.00 0.00 H new ATOM 0 HG LEU A 63 0.978 -0.394 0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.024 1.627 -0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.603 1.950 0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.364 1.751 -1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.585 -0.535 -1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.819 -0.472 -2.361 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.594 -1.868 -1.281 1.00 0.00 H new ATOM 1219 N GLY A 64 3.545 -1.157 2.552 1.00 0.00 N ATOM 1220 CA GLY A 64 3.306 -1.447 3.966 1.00 0.00 C ATOM 1221 C GLY A 64 4.199 -0.640 4.907 1.00 0.00 C ATOM 1222 O GLY A 64 3.713 -0.108 5.903 1.00 0.00 O ATOM 0 H GLY A 64 3.885 -1.961 2.024 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.262 -1.240 4.201 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.469 -2.510 4.144 1.00 0.00 H new ATOM 1226 N GLN A 65 5.483 -0.467 4.581 1.00 0.00 N ATOM 1227 CA GLN A 65 6.417 0.368 5.306 1.00 0.00 C ATOM 1228 C GLN A 65 6.039 1.862 5.251 1.00 0.00 C ATOM 1229 O GLN A 65 6.248 2.567 6.240 1.00 0.00 O ATOM 1230 CB GLN A 65 7.776 0.018 4.689 1.00 0.00 C ATOM 1231 CG GLN A 65 8.893 1.036 4.818 1.00 0.00 C ATOM 1232 CD GLN A 65 9.512 1.110 6.214 1.00 0.00 C ATOM 1233 OE1 GLN A 65 10.548 0.524 6.497 1.00 0.00 O ATOM 1234 NE2 GLN A 65 8.825 1.675 7.184 1.00 0.00 N ATOM 0 H GLN A 65 5.906 -0.926 3.774 1.00 0.00 H new ATOM 0 HA GLN A 65 6.421 0.181 6.380 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.118 -0.914 5.139 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.622 -0.178 3.628 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.675 0.795 4.098 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.506 2.020 4.551 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.958 2.170 6.974 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.160 1.618 8.146 1.00 0.00 H new ATOM 1243 N TYR A 66 5.443 2.342 4.153 1.00 0.00 N ATOM 1244 CA TYR A 66 4.856 3.682 4.079 1.00 0.00 C ATOM 1245 C TYR A 66 3.642 3.883 4.991 1.00 0.00 C ATOM 1246 O TYR A 66 3.619 4.794 5.819 1.00 0.00 O ATOM 1247 CB TYR A 66 4.623 4.105 2.619 1.00 0.00 C ATOM 1248 CG TYR A 66 3.844 5.398 2.439 1.00 0.00 C ATOM 1249 CD1 TYR A 66 2.434 5.398 2.418 1.00 0.00 C ATOM 1250 CD2 TYR A 66 4.545 6.610 2.278 1.00 0.00 C ATOM 1251 CE1 TYR A 66 1.730 6.606 2.235 1.00 0.00 C ATOM 1252 CE2 TYR A 66 3.844 7.816 2.090 1.00 0.00 C ATOM 1253 CZ TYR A 66 2.433 7.819 2.065 1.00 0.00 C ATOM 1254 OH TYR A 66 1.765 8.991 1.881 1.00 0.00 O ATOM 0 H TYR A 66 5.355 1.808 3.288 1.00 0.00 H new ATOM 0 HA TYR A 66 5.593 4.372 4.491 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.591 4.211 2.129 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.091 3.304 2.105 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.893 4.472 2.542 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.625 6.613 2.299 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.650 6.604 2.225 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.387 8.741 1.965 1.00 0.00 H new ATOM 0 HH TYR A 66 2.409 9.723 1.783 1.00 0.00 H new ATOM 1264 N ILE A 67 2.675 2.961 4.912 1.00 0.00 N ATOM 1265 CA ILE A 67 1.468 2.935 5.757 1.00 0.00 C ATOM 1266 C ILE A 67 1.838 2.851 7.250 1.00 0.00 C ATOM 1267 O ILE A 67 1.254 3.558 8.075 1.00 0.00 O ATOM 1268 CB ILE A 67 0.554 1.768 5.303 1.00 0.00 C ATOM 1269 CG1 ILE A 67 0.039 1.993 3.862 1.00 0.00 C ATOM 1270 CG2 ILE A 67 -0.663 1.568 6.224 1.00 0.00 C ATOM 1271 CD1 ILE A 67 -0.462 0.718 3.176 1.00 0.00 C ATOM 0 H ILE A 67 2.708 2.192 4.243 1.00 0.00 H new ATOM 0 HA ILE A 67 0.914 3.866 5.636 1.00 0.00 H new ATOM 0 HB ILE A 67 1.176 0.874 5.350 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.770 2.723 3.886 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.841 2.425 3.263 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.265 0.738 5.856 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.322 1.348 7.236 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.265 2.477 6.234 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.806 0.957 2.170 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.350 -0.007 3.119 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.286 0.296 3.751 1.00 0.00 H new ATOM 1283 N MET A 68 2.860 2.052 7.580 1.00 0.00 N ATOM 1284 CA MET A 68 3.453 1.929 8.914 1.00 0.00 C ATOM 1285 C MET A 68 4.083 3.248 9.390 1.00 0.00 C ATOM 1286 O MET A 68 3.678 3.784 10.423 1.00 0.00 O ATOM 1287 CB MET A 68 4.489 0.789 8.894 1.00 0.00 C ATOM 1288 CG MET A 68 5.219 0.547 10.222 1.00 0.00 C ATOM 1289 SD MET A 68 6.863 -0.208 10.039 1.00 0.00 S ATOM 1290 CE MET A 68 6.442 -1.781 9.240 1.00 0.00 C ATOM 0 H MET A 68 3.314 1.449 6.894 1.00 0.00 H new ATOM 0 HA MET A 68 2.664 1.694 9.629 1.00 0.00 H new ATOM 0 HB2 MET A 68 3.986 -0.133 8.601 1.00 0.00 H new ATOM 0 HB3 MET A 68 5.230 1.006 8.125 1.00 0.00 H new ATOM 0 HG2 MET A 68 5.324 1.498 10.745 1.00 0.00 H new ATOM 0 HG3 MET A 68 4.603 -0.097 10.851 1.00 0.00 H new ATOM 0 HE1 MET A 68 7.115 -2.561 9.596 1.00 0.00 H new ATOM 0 HE2 MET A 68 5.414 -2.049 9.484 1.00 0.00 H new ATOM 0 HE3 MET A 68 6.544 -1.679 8.160 1.00 0.00 H new ATOM 1300 N THR A 69 5.056 3.793 8.648 1.00 0.00 N ATOM 1301 CA THR A 69 5.811 4.994 9.058 1.00 0.00 C ATOM 1302 C THR A 69 4.999 6.292 9.130 1.00 0.00 C ATOM 1303 O THR A 69 5.206 7.118 10.021 1.00 0.00 O ATOM 1304 CB THR A 69 7.130 5.133 8.275 1.00 0.00 C ATOM 1305 OG1 THR A 69 8.073 5.869 9.026 1.00 0.00 O ATOM 1306 CG2 THR A 69 6.980 5.855 6.936 1.00 0.00 C ATOM 0 H THR A 69 5.345 3.417 7.745 1.00 0.00 H new ATOM 0 HA THR A 69 6.072 4.819 10.102 1.00 0.00 H new ATOM 0 HB THR A 69 7.455 4.109 8.089 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.907 5.948 8.517 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.951 5.914 6.444 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.284 5.305 6.302 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.598 6.862 7.106 1.00 0.00 H new ATOM 1314 N LYS A 70 4.003 6.435 8.245 1.00 0.00 N ATOM 1315 CA LYS A 70 3.000 7.514 8.262 1.00 0.00 C ATOM 1316 C LYS A 70 1.841 7.271 9.252 1.00 0.00 C ATOM 1317 O LYS A 70 0.961 8.125 9.369 1.00 0.00 O ATOM 1318 CB LYS A 70 2.498 7.757 6.823 1.00 0.00 C ATOM 1319 CG LYS A 70 3.578 8.204 5.819 1.00 0.00 C ATOM 1320 CD LYS A 70 4.272 9.538 6.135 1.00 0.00 C ATOM 1321 CE LYS A 70 3.278 10.708 6.148 1.00 0.00 C ATOM 1322 NZ LYS A 70 3.962 12.007 6.387 1.00 0.00 N ATOM 0 H LYS A 70 3.867 5.783 7.472 1.00 0.00 H new ATOM 0 HA LYS A 70 3.487 8.415 8.634 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.040 6.839 6.455 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.715 8.515 6.851 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.338 7.425 5.761 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.122 8.278 4.832 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.766 9.470 7.104 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.048 9.729 5.394 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.747 10.746 5.197 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.530 10.542 6.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.260 12.774 6.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.448 11.980 7.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.658 12.177 5.633 1.00 0.00 H new ATOM 1336 N ARG A 71 1.835 6.133 9.968 1.00 0.00 N ATOM 1337 CA ARG A 71 0.850 5.713 10.981 1.00 0.00 C ATOM 1338 C ARG A 71 -0.600 5.757 10.475 1.00 0.00 C ATOM 1339 O ARG A 71 -1.514 6.141 11.202 1.00 0.00 O ATOM 1340 CB ARG A 71 1.092 6.491 12.293 1.00 0.00 C ATOM 1341 CG ARG A 71 0.727 5.657 13.535 1.00 0.00 C ATOM 1342 CD ARG A 71 -0.224 6.366 14.511 1.00 0.00 C ATOM 1343 NE ARG A 71 -1.602 6.368 13.992 1.00 0.00 N ATOM 1344 CZ ARG A 71 -2.706 6.744 14.604 1.00 0.00 C ATOM 1345 NH1 ARG A 71 -2.713 7.309 15.777 1.00 0.00 N ATOM 1346 NH2 ARG A 71 -3.851 6.548 14.030 1.00 0.00 N ATOM 0 H ARG A 71 2.568 5.434 9.846 1.00 0.00 H new ATOM 0 HA ARG A 71 1.004 4.656 11.197 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.139 6.787 12.351 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.501 7.407 12.285 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.267 4.724 13.210 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.643 5.394 14.064 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.196 5.867 15.480 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.110 7.391 14.671 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.716 6.035 13.035 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.834 7.480 16.266 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.597 7.581 16.207 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.892 6.106 13.112 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.711 6.836 14.496 1.00 0.00 H new ATOM 1360 N LEU A 72 -0.818 5.377 9.214 1.00 0.00 N ATOM 1361 CA LEU A 72 -2.116 5.505 8.536 1.00 0.00 C ATOM 1362 C LEU A 72 -3.187 4.525 9.050 1.00 0.00 C ATOM 1363 O LEU A 72 -4.361 4.671 8.713 1.00 0.00 O ATOM 1364 CB LEU A 72 -1.915 5.368 7.019 1.00 0.00 C ATOM 1365 CG LEU A 72 -1.000 6.421 6.379 1.00 0.00 C ATOM 1366 CD1 LEU A 72 -0.934 6.214 4.867 1.00 0.00 C ATOM 1367 CD2 LEU A 72 -1.467 7.853 6.632 1.00 0.00 C ATOM 0 H LEU A 72 -0.092 4.967 8.626 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.504 6.496 8.771 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.504 4.380 6.812 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.890 5.416 6.534 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.022 6.289 6.843 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.282 6.967 4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.539 5.221 4.653 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.934 6.306 4.443 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.779 8.550 6.154 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.466 7.988 6.218 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.490 8.044 7.705 1.00 0.00 H new ATOM 1379 N TYR A 73 -2.812 3.542 9.872 1.00 0.00 N ATOM 1380 CA TYR A 73 -3.773 2.701 10.588 1.00 0.00 C ATOM 1381 C TYR A 73 -4.603 3.433 11.660 1.00 0.00 C ATOM 1382 O TYR A 73 -4.101 4.352 12.311 1.00 0.00 O ATOM 1383 CB TYR A 73 -3.128 1.414 11.119 1.00 0.00 C ATOM 1384 CG TYR A 73 -1.846 1.617 11.907 1.00 0.00 C ATOM 1385 CD1 TYR A 73 -0.595 1.654 11.256 1.00 0.00 C ATOM 1386 CD2 TYR A 73 -1.914 1.762 13.307 1.00 0.00 C ATOM 1387 CE1 TYR A 73 0.584 1.830 12.007 1.00 0.00 C ATOM 1388 CE2 TYR A 73 -0.736 1.931 14.059 1.00 0.00 C ATOM 1389 CZ TYR A 73 0.518 1.960 13.412 1.00 0.00 C ATOM 1390 OH TYR A 73 1.652 2.127 14.145 1.00 0.00 O ATOM 0 H TYR A 73 -1.837 3.307 10.059 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.506 2.414 9.835 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.849 0.899 11.754 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.918 0.756 10.276 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.541 1.547 10.183 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -2.872 1.743 13.804 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.541 1.866 11.507 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -0.792 2.039 15.132 1.00 0.00 H new ATOM 0 HH TYR A 73 1.420 2.200 15.094 1.00 0.00 H new ATOM 1400 N ASP A 74 -5.857 3.034 11.879 1.00 0.00 N ATOM 1401 CA ASP A 74 -6.690 3.526 12.988 1.00 0.00 C ATOM 1402 C ASP A 74 -6.191 3.106 14.387 1.00 0.00 C ATOM 1403 O ASP A 74 -5.922 1.929 14.624 1.00 0.00 O ATOM 1404 CB ASP A 74 -8.174 3.219 12.723 1.00 0.00 C ATOM 1405 CG ASP A 74 -9.127 3.368 13.915 1.00 0.00 C ATOM 1406 OD1 ASP A 74 -8.910 4.235 14.790 1.00 0.00 O ATOM 1407 OD2 ASP A 74 -10.128 2.619 13.961 1.00 0.00 O ATOM 0 H ASP A 74 -6.332 2.353 11.287 1.00 0.00 H new ATOM 0 HA ASP A 74 -6.589 4.611 13.014 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -8.521 3.875 11.925 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.250 2.197 12.351 1.00 0.00 H new ATOM 1412 N GLU A 75 -6.078 4.044 15.332 1.00 0.00 N ATOM 1413 CA GLU A 75 -5.699 3.764 16.725 1.00 0.00 C ATOM 1414 C GLU A 75 -6.649 2.792 17.457 1.00 0.00 C ATOM 1415 O GLU A 75 -6.212 2.089 18.373 1.00 0.00 O ATOM 1416 CB GLU A 75 -5.565 5.079 17.514 1.00 0.00 C ATOM 1417 CG GLU A 75 -6.815 5.982 17.582 1.00 0.00 C ATOM 1418 CD GLU A 75 -7.000 6.945 16.388 1.00 0.00 C ATOM 1419 OE1 GLU A 75 -6.177 6.934 15.440 1.00 0.00 O ATOM 1420 OE2 GLU A 75 -7.961 7.751 16.415 1.00 0.00 O ATOM 0 H GLU A 75 -6.249 5.033 15.151 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.736 3.256 16.677 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.267 4.834 18.534 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.752 5.657 17.075 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.698 5.347 17.656 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.768 6.571 18.498 1.00 0.00 H new ATOM 1427 N LYS A 76 -7.926 2.726 17.054 1.00 0.00 N ATOM 1428 CA LYS A 76 -8.903 1.734 17.542 1.00 0.00 C ATOM 1429 C LYS A 76 -8.794 0.415 16.769 1.00 0.00 C ATOM 1430 O LYS A 76 -8.398 -0.598 17.349 1.00 0.00 O ATOM 1431 CB LYS A 76 -10.338 2.299 17.528 1.00 0.00 C ATOM 1432 CG LYS A 76 -10.526 3.630 18.277 1.00 0.00 C ATOM 1433 CD LYS A 76 -10.095 3.632 19.754 1.00 0.00 C ATOM 1434 CE LYS A 76 -10.878 2.606 20.587 1.00 0.00 C ATOM 1435 NZ LYS A 76 -10.507 2.673 22.025 1.00 0.00 N ATOM 0 H LYS A 76 -8.319 3.370 16.368 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.660 1.515 18.582 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.647 2.437 16.492 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.007 1.558 17.964 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.964 4.403 17.753 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.578 3.910 18.224 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.029 3.414 19.820 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.243 4.627 20.173 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.947 2.787 20.477 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.684 1.603 20.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.054 1.967 22.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.491 2.476 22.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.716 3.623 22.393 1.00 0.00 H new ATOM 1449 N GLN A 77 -9.099 0.417 15.467 1.00 0.00 N ATOM 1450 CA GLN A 77 -8.986 -0.755 14.591 1.00 0.00 C ATOM 1451 C GLN A 77 -7.692 -0.692 13.766 1.00 0.00 C ATOM 1452 O GLN A 77 -7.682 -0.216 12.633 1.00 0.00 O ATOM 1453 CB GLN A 77 -10.230 -0.881 13.689 1.00 0.00 C ATOM 1454 CG GLN A 77 -11.570 -1.009 14.434 1.00 0.00 C ATOM 1455 CD GLN A 77 -11.581 -2.092 15.513 1.00 0.00 C ATOM 1456 OE1 GLN A 77 -11.673 -1.819 16.703 1.00 0.00 O ATOM 1457 NE2 GLN A 77 -11.349 -3.343 15.171 1.00 0.00 N ATOM 0 H GLN A 77 -9.438 1.249 14.983 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.937 -1.650 15.211 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -10.277 -0.008 13.038 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -10.106 -1.752 13.046 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -11.811 -0.050 14.893 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -12.357 -1.223 13.711 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -11.268 -3.596 14.186 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -11.250 -4.059 15.891 1.00 0.00 H new ATOM 1466 N GLN A 78 -6.589 -1.217 14.306 1.00 0.00 N ATOM 1467 CA GLN A 78 -5.271 -1.166 13.647 1.00 0.00 C ATOM 1468 C GLN A 78 -5.193 -2.010 12.358 1.00 0.00 C ATOM 1469 O GLN A 78 -4.253 -1.873 11.575 1.00 0.00 O ATOM 1470 CB GLN A 78 -4.170 -1.530 14.656 1.00 0.00 C ATOM 1471 CG GLN A 78 -4.285 -2.957 15.218 1.00 0.00 C ATOM 1472 CD GLN A 78 -3.261 -3.252 16.311 1.00 0.00 C ATOM 1473 OE1 GLN A 78 -2.366 -2.476 16.622 1.00 0.00 O ATOM 1474 NE2 GLN A 78 -3.338 -4.403 16.936 1.00 0.00 N ATOM 0 H GLN A 78 -6.579 -1.689 15.210 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.112 -0.141 13.312 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.198 -1.417 14.175 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.200 -0.821 15.483 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.288 -3.104 15.618 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.158 -3.673 14.406 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.075 -5.066 16.695 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -2.661 -4.635 17.663 1.00 0.00 H new ATOM 1483 N HIS A 79 -6.198 -2.856 12.111 1.00 0.00 N ATOM 1484 CA HIS A 79 -6.405 -3.572 10.853 1.00 0.00 C ATOM 1485 C HIS A 79 -7.121 -2.731 9.772 1.00 0.00 C ATOM 1486 O HIS A 79 -7.360 -3.243 8.681 1.00 0.00 O ATOM 1487 CB HIS A 79 -7.159 -4.873 11.162 1.00 0.00 C ATOM 1488 CG HIS A 79 -8.627 -4.699 11.465 1.00 0.00 C ATOM 1489 ND1 HIS A 79 -9.635 -4.533 10.540 1.00 0.00 N ATOM 1490 CD2 HIS A 79 -9.218 -4.767 12.697 1.00 0.00 C ATOM 1491 CE1 HIS A 79 -10.804 -4.476 11.200 1.00 0.00 C ATOM 1492 NE2 HIS A 79 -10.602 -4.633 12.521 1.00 0.00 N ATOM 0 H HIS A 79 -6.913 -3.067 12.807 1.00 0.00 H new ATOM 0 HA HIS A 79 -5.430 -3.795 10.419 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -7.056 -5.547 10.311 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.682 -5.359 12.013 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -9.515 -4.465 9.529 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -8.708 -4.900 13.639 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -11.768 -4.326 10.737 1.00 0.00 H new ATOM 1500 N ILE A 80 -7.489 -1.471 10.044 1.00 0.00 N ATOM 1501 CA ILE A 80 -8.101 -0.534 9.085 1.00 0.00 C ATOM 1502 C ILE A 80 -7.121 0.601 8.777 1.00 0.00 C ATOM 1503 O ILE A 80 -6.640 1.280 9.686 1.00 0.00 O ATOM 1504 CB ILE A 80 -9.463 0.005 9.592 1.00 0.00 C ATOM 1505 CG1 ILE A 80 -10.422 -1.170 9.893 1.00 0.00 C ATOM 1506 CG2 ILE A 80 -10.085 0.973 8.565 1.00 0.00 C ATOM 1507 CD1 ILE A 80 -11.839 -0.770 10.323 1.00 0.00 C ATOM 0 H ILE A 80 -7.365 -1.060 10.969 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.311 -1.073 8.161 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.296 0.560 10.515 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.494 -1.795 9.003 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.982 -1.784 10.679 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.040 1.339 8.942 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.412 1.815 8.405 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.243 0.450 7.622 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.429 -1.667 10.510 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.788 -0.173 11.234 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -12.308 -0.185 9.532 1.00 0.00 H new ATOM 1519 N VAL A 81 -6.844 0.820 7.491 1.00 0.00 N ATOM 1520 CA VAL A 81 -6.008 1.910 6.970 1.00 0.00 C ATOM 1521 C VAL A 81 -6.895 3.065 6.511 1.00 0.00 C ATOM 1522 O VAL A 81 -7.848 2.858 5.760 1.00 0.00 O ATOM 1523 CB VAL A 81 -5.132 1.417 5.801 1.00 0.00 C ATOM 1524 CG1 VAL A 81 -4.302 2.541 5.163 1.00 0.00 C ATOM 1525 CG2 VAL A 81 -4.162 0.330 6.277 1.00 0.00 C ATOM 0 H VAL A 81 -7.209 0.220 6.751 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.350 2.255 7.767 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.823 1.026 5.054 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.706 2.134 4.346 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.969 3.311 4.776 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.641 2.976 5.913 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.552 -0.006 5.438 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.516 0.735 7.056 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.727 -0.513 6.675 1.00 0.00 H new ATOM 1535 N TYR A 82 -6.555 4.282 6.935 1.00 0.00 N ATOM 1536 CA TYR A 82 -7.109 5.542 6.444 1.00 0.00 C ATOM 1537 C TYR A 82 -6.232 6.246 5.402 1.00 0.00 C ATOM 1538 O TYR A 82 -5.017 6.342 5.578 1.00 0.00 O ATOM 1539 CB TYR A 82 -7.571 6.448 7.593 1.00 0.00 C ATOM 1540 CG TYR A 82 -8.877 6.001 8.225 1.00 0.00 C ATOM 1541 CD1 TYR A 82 -8.879 4.944 9.156 1.00 0.00 C ATOM 1542 CD2 TYR A 82 -10.089 6.624 7.866 1.00 0.00 C ATOM 1543 CE1 TYR A 82 -10.090 4.504 9.721 1.00 0.00 C ATOM 1544 CE2 TYR A 82 -11.304 6.186 8.430 1.00 0.00 C ATOM 1545 CZ TYR A 82 -11.307 5.121 9.360 1.00 0.00 C ATOM 1546 OH TYR A 82 -12.474 4.687 9.909 1.00 0.00 O ATOM 0 H TYR A 82 -5.854 4.422 7.663 1.00 0.00 H new ATOM 0 HA TYR A 82 -8.008 5.283 5.884 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.796 6.475 8.359 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -7.686 7.466 7.220 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.950 4.471 9.436 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.087 7.439 7.157 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.088 3.692 10.433 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -12.232 6.663 8.152 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.219 5.217 9.556 1.00 0.00 H new ATOM 1556 N CYS A 83 -6.832 6.723 4.313 1.00 0.00 N ATOM 1557 CA CYS A 83 -6.113 7.210 3.133 1.00 0.00 C ATOM 1558 C CYS A 83 -6.776 8.399 2.406 1.00 0.00 C ATOM 1559 O CYS A 83 -6.483 8.663 1.240 1.00 0.00 O ATOM 1560 CB CYS A 83 -5.766 6.014 2.225 1.00 0.00 C ATOM 1561 SG CYS A 83 -7.181 4.920 1.895 1.00 0.00 S ATOM 0 H CYS A 83 -7.846 6.784 4.222 1.00 0.00 H new ATOM 0 HA CYS A 83 -5.182 7.663 3.474 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -5.377 6.388 1.278 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -4.969 5.434 2.690 1.00 0.00 H new ATOM 0 HG CYS A 83 -7.970 5.481 1.028 1.00 0.00 H new ATOM 1567 N SER A 84 -7.681 9.122 3.072 1.00 0.00 N ATOM 1568 CA SER A 84 -8.409 10.271 2.514 1.00 0.00 C ATOM 1569 C SER A 84 -7.482 11.410 2.041 1.00 0.00 C ATOM 1570 O SER A 84 -6.927 12.163 2.844 1.00 0.00 O ATOM 1571 CB SER A 84 -9.459 10.768 3.520 1.00 0.00 C ATOM 1572 OG SER A 84 -8.899 11.031 4.800 1.00 0.00 O ATOM 0 H SER A 84 -7.936 8.921 4.039 1.00 0.00 H new ATOM 0 HA SER A 84 -8.919 9.925 1.615 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.925 11.676 3.137 1.00 0.00 H new ATOM 0 HB3 SER A 84 -10.247 10.022 3.617 1.00 0.00 H new ATOM 0 HG SER A 84 -8.043 11.497 4.693 1.00 0.00 H new ATOM 1578 N ASN A 85 -7.338 11.527 0.714 1.00 0.00 N ATOM 1579 CA ASN A 85 -6.594 12.543 -0.050 1.00 0.00 C ATOM 1580 C ASN A 85 -5.105 12.776 0.318 1.00 0.00 C ATOM 1581 O ASN A 85 -4.515 13.761 -0.130 1.00 0.00 O ATOM 1582 CB ASN A 85 -7.422 13.840 -0.188 1.00 0.00 C ATOM 1583 CG ASN A 85 -7.585 14.626 1.103 1.00 0.00 C ATOM 1584 OD1 ASN A 85 -8.642 14.649 1.721 1.00 0.00 O ATOM 1585 ND2 ASN A 85 -6.567 15.351 1.513 1.00 0.00 N ATOM 0 H ASN A 85 -7.779 10.852 0.089 1.00 0.00 H new ATOM 0 HA ASN A 85 -6.474 12.098 -1.038 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -6.948 14.481 -0.931 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -8.410 13.586 -0.571 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -6.658 15.933 2.346 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -5.687 15.332 0.998 1.00 0.00 H new ATOM 1592 N ASP A 86 -4.474 11.890 1.093 1.00 0.00 N ATOM 1593 CA ASP A 86 -3.044 11.916 1.446 1.00 0.00 C ATOM 1594 C ASP A 86 -2.158 10.972 0.610 1.00 0.00 C ATOM 1595 O ASP A 86 -1.518 10.054 1.130 1.00 0.00 O ATOM 1596 CB ASP A 86 -2.802 11.880 2.969 1.00 0.00 C ATOM 1597 CG ASP A 86 -3.604 10.830 3.760 1.00 0.00 C ATOM 1598 OD1 ASP A 86 -4.181 9.893 3.162 1.00 0.00 O ATOM 1599 OD2 ASP A 86 -3.639 10.947 5.009 1.00 0.00 O ATOM 0 H ASP A 86 -4.963 11.099 1.512 1.00 0.00 H new ATOM 0 HA ASP A 86 -2.685 12.898 1.138 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -1.741 11.703 3.143 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -3.032 12.865 3.376 1.00 0.00 H new ATOM 1604 N LEU A 87 -2.166 11.196 -0.714 1.00 0.00 N ATOM 1605 CA LEU A 87 -1.561 10.390 -1.794 1.00 0.00 C ATOM 1606 C LEU A 87 -2.137 8.968 -1.937 1.00 0.00 C ATOM 1607 O LEU A 87 -2.591 8.598 -3.018 1.00 0.00 O ATOM 1608 CB LEU A 87 -0.018 10.440 -1.695 1.00 0.00 C ATOM 1609 CG LEU A 87 0.754 9.597 -2.731 1.00 0.00 C ATOM 1610 CD1 LEU A 87 0.464 10.004 -4.175 1.00 0.00 C ATOM 1611 CD2 LEU A 87 2.255 9.771 -2.493 1.00 0.00 C ATOM 0 H LEU A 87 -2.637 12.018 -1.092 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.849 10.853 -2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.299 11.478 -1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.273 10.110 -0.698 1.00 0.00 H new ATOM 0 HG LEU A 87 0.430 8.565 -2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.038 9.373 -4.853 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.600 9.884 -4.380 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.747 11.046 -4.323 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.810 9.179 -3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.521 10.822 -2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.505 9.436 -1.486 1.00 0.00 H new ATOM 1623 N LEU A 88 -2.167 8.176 -0.864 1.00 0.00 N ATOM 1624 CA LEU A 88 -2.544 6.760 -0.891 1.00 0.00 C ATOM 1625 C LEU A 88 -3.985 6.506 -1.379 1.00 0.00 C ATOM 1626 O LEU A 88 -4.240 5.522 -2.074 1.00 0.00 O ATOM 1627 CB LEU A 88 -2.285 6.183 0.511 1.00 0.00 C ATOM 1628 CG LEU A 88 -2.611 4.687 0.651 1.00 0.00 C ATOM 1629 CD1 LEU A 88 -1.773 3.830 -0.295 1.00 0.00 C ATOM 1630 CD2 LEU A 88 -2.308 4.225 2.071 1.00 0.00 C ATOM 0 H LEU A 88 -1.925 8.508 0.070 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.931 6.246 -1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.237 6.340 0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.878 6.741 1.236 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.667 4.568 0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.035 2.780 -0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.970 4.127 -1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.715 3.971 -0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.540 3.164 2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.252 4.386 2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.914 4.794 2.776 1.00 0.00 H new ATOM 1642 N GLY A 89 -4.922 7.409 -1.076 1.00 0.00 N ATOM 1643 CA GLY A 89 -6.308 7.330 -1.557 1.00 0.00 C ATOM 1644 C GLY A 89 -6.461 7.535 -3.065 1.00 0.00 C ATOM 1645 O GLY A 89 -7.401 7.003 -3.653 1.00 0.00 O ATOM 0 H GLY A 89 -4.741 8.221 -0.486 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.718 6.356 -1.291 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.904 8.080 -1.037 1.00 0.00 H new ATOM 1649 N ASP A 90 -5.526 8.235 -3.717 1.00 0.00 N ATOM 1650 CA ASP A 90 -5.480 8.321 -5.183 1.00 0.00 C ATOM 1651 C ASP A 90 -5.049 7.016 -5.869 1.00 0.00 C ATOM 1652 O ASP A 90 -5.476 6.729 -6.990 1.00 0.00 O ATOM 1653 CB ASP A 90 -4.653 9.528 -5.660 1.00 0.00 C ATOM 1654 CG ASP A 90 -5.304 10.905 -5.415 1.00 0.00 C ATOM 1655 OD1 ASP A 90 -6.505 10.993 -5.062 1.00 0.00 O ATOM 1656 OD2 ASP A 90 -4.603 11.927 -5.607 1.00 0.00 O ATOM 0 H ASP A 90 -4.784 8.755 -3.248 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.511 8.483 -5.499 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.685 9.507 -5.159 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.462 9.419 -6.727 1.00 0.00 H new ATOM 1661 N LEU A 91 -4.248 6.195 -5.176 1.00 0.00 N ATOM 1662 CA LEU A 91 -3.917 4.832 -5.586 1.00 0.00 C ATOM 1663 C LEU A 91 -5.064 3.847 -5.299 1.00 0.00 C ATOM 1664 O LEU A 91 -5.568 3.214 -6.227 1.00 0.00 O ATOM 1665 CB LEU A 91 -2.615 4.368 -4.902 1.00 0.00 C ATOM 1666 CG LEU A 91 -1.292 4.967 -5.403 1.00 0.00 C ATOM 1667 CD1 LEU A 91 -1.220 4.944 -6.928 1.00 0.00 C ATOM 1668 CD2 LEU A 91 -1.021 6.377 -4.889 1.00 0.00 C ATOM 0 H LEU A 91 -3.806 6.469 -4.299 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.766 4.842 -6.665 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.700 4.586 -3.837 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.552 3.284 -5.002 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.510 4.329 -4.991 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.273 5.374 -7.254 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.292 3.915 -7.280 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.044 5.527 -7.340 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.070 6.732 -5.285 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.821 7.043 -5.214 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.979 6.365 -3.800 1.00 0.00 H new ATOM 1680 N PHE A 92 -5.482 3.701 -4.034 1.00 0.00 N ATOM 1681 CA PHE A 92 -6.554 2.769 -3.643 1.00 0.00 C ATOM 1682 C PHE A 92 -7.991 3.095 -4.091 1.00 0.00 C ATOM 1683 O PHE A 92 -8.831 2.199 -4.175 1.00 0.00 O ATOM 1684 CB PHE A 92 -6.449 2.333 -2.167 1.00 0.00 C ATOM 1685 CG PHE A 92 -5.427 1.244 -1.873 1.00 0.00 C ATOM 1686 CD1 PHE A 92 -5.587 -0.040 -2.430 1.00 0.00 C ATOM 1687 CD2 PHE A 92 -4.346 1.485 -1.007 1.00 0.00 C ATOM 1688 CE1 PHE A 92 -4.655 -1.061 -2.162 1.00 0.00 C ATOM 1689 CE2 PHE A 92 -3.429 0.456 -0.710 1.00 0.00 C ATOM 1690 CZ PHE A 92 -3.578 -0.812 -1.295 1.00 0.00 C ATOM 0 H PHE A 92 -5.088 4.224 -3.252 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.341 1.899 -4.264 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.204 3.208 -1.565 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.429 1.985 -1.839 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.433 -0.243 -3.069 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.217 2.463 -0.567 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.768 -2.032 -2.621 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.610 0.643 -0.031 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.866 -1.594 -1.079 1.00 0.00 H new ATOM 1700 N GLY A 93 -8.281 4.361 -4.406 1.00 0.00 N ATOM 1701 CA GLY A 93 -9.597 4.819 -4.874 1.00 0.00 C ATOM 1702 C GLY A 93 -10.673 4.924 -3.780 1.00 0.00 C ATOM 1703 O GLY A 93 -11.862 4.981 -4.101 1.00 0.00 O ATOM 0 H GLY A 93 -7.595 5.113 -4.342 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.480 5.796 -5.343 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.950 4.135 -5.646 1.00 0.00 H new ATOM 1707 N VAL A 94 -10.279 4.936 -2.500 1.00 0.00 N ATOM 1708 CA VAL A 94 -11.170 4.943 -1.322 1.00 0.00 C ATOM 1709 C VAL A 94 -10.569 5.819 -0.207 1.00 0.00 C ATOM 1710 O VAL A 94 -9.346 5.983 -0.147 1.00 0.00 O ATOM 1711 CB VAL A 94 -11.392 3.515 -0.763 1.00 0.00 C ATOM 1712 CG1 VAL A 94 -12.379 2.730 -1.629 1.00 0.00 C ATOM 1713 CG2 VAL A 94 -10.110 2.687 -0.597 1.00 0.00 C ATOM 0 H VAL A 94 -9.292 4.941 -2.241 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.129 5.346 -1.646 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.798 3.675 0.236 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.515 1.732 -1.212 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.338 3.248 -1.649 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.989 2.649 -2.644 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -10.361 1.703 -0.201 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.622 2.575 -1.565 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.436 3.195 0.093 1.00 0.00 H new ATOM 1723 N PRO A 95 -11.399 6.369 0.705 1.00 0.00 N ATOM 1724 CA PRO A 95 -10.940 7.109 1.886 1.00 0.00 C ATOM 1725 C PRO A 95 -10.376 6.206 3.000 1.00 0.00 C ATOM 1726 O PRO A 95 -9.626 6.687 3.851 1.00 0.00 O ATOM 1727 CB PRO A 95 -12.179 7.867 2.373 1.00 0.00 C ATOM 1728 CG PRO A 95 -13.330 6.942 1.981 1.00 0.00 C ATOM 1729 CD PRO A 95 -12.858 6.367 0.649 1.00 0.00 C ATOM 0 HA PRO A 95 -10.109 7.764 1.626 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.149 8.039 3.449 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.267 8.843 1.897 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.493 6.161 2.724 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.269 7.485 1.878 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.242 5.357 0.502 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.217 6.969 -0.185 1.00 0.00 H new ATOM 1737 N SER A 96 -10.730 4.916 3.017 1.00 0.00 N ATOM 1738 CA SER A 96 -10.237 3.905 3.966 1.00 0.00 C ATOM 1739 C SER A 96 -10.537 2.476 3.487 1.00 0.00 C ATOM 1740 O SER A 96 -11.409 2.271 2.636 1.00 0.00 O ATOM 1741 CB SER A 96 -10.857 4.118 5.356 1.00 0.00 C ATOM 1742 OG SER A 96 -12.271 3.975 5.327 1.00 0.00 O ATOM 0 H SER A 96 -11.393 4.530 2.345 1.00 0.00 H new ATOM 0 HA SER A 96 -9.155 4.026 4.026 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.433 3.400 6.058 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.599 5.112 5.722 1.00 0.00 H new ATOM 0 HG SER A 96 -12.632 4.115 6.227 1.00 0.00 H new ATOM 1748 N PHE A 97 -9.839 1.474 4.037 1.00 0.00 N ATOM 1749 CA PHE A 97 -10.124 0.049 3.807 1.00 0.00 C ATOM 1750 C PHE A 97 -9.612 -0.817 4.976 1.00 0.00 C ATOM 1751 O PHE A 97 -8.661 -0.449 5.667 1.00 0.00 O ATOM 1752 CB PHE A 97 -9.479 -0.411 2.484 1.00 0.00 C ATOM 1753 CG PHE A 97 -7.960 -0.397 2.470 1.00 0.00 C ATOM 1754 CD1 PHE A 97 -7.261 -1.534 2.912 1.00 0.00 C ATOM 1755 CD2 PHE A 97 -7.243 0.734 2.032 1.00 0.00 C ATOM 1756 CE1 PHE A 97 -5.858 -1.543 2.937 1.00 0.00 C ATOM 1757 CE2 PHE A 97 -5.835 0.723 2.048 1.00 0.00 C ATOM 1758 CZ PHE A 97 -5.145 -0.420 2.494 1.00 0.00 C ATOM 0 H PHE A 97 -9.049 1.631 4.663 1.00 0.00 H new ATOM 0 HA PHE A 97 -11.205 -0.075 3.742 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -9.820 -1.423 2.264 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.840 0.229 1.679 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -7.808 -2.407 3.235 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -7.773 1.609 1.684 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.329 -2.413 3.297 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.284 1.592 1.718 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.065 -0.432 2.495 1.00 0.00 H new ATOM 1768 N SER A 98 -10.215 -1.993 5.183 1.00 0.00 N ATOM 1769 CA SER A 98 -9.704 -3.014 6.114 1.00 0.00 C ATOM 1770 C SER A 98 -8.690 -3.936 5.429 1.00 0.00 C ATOM 1771 O SER A 98 -8.986 -4.535 4.395 1.00 0.00 O ATOM 1772 CB SER A 98 -10.849 -3.830 6.710 1.00 0.00 C ATOM 1773 OG SER A 98 -10.340 -4.775 7.639 1.00 0.00 O ATOM 0 H SER A 98 -11.075 -2.268 4.709 1.00 0.00 H new ATOM 0 HA SER A 98 -9.193 -2.493 6.924 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.559 -3.168 7.205 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.392 -4.344 5.917 1.00 0.00 H new ATOM 0 HG SER A 98 -11.081 -5.293 8.018 1.00 0.00 H new ATOM 1779 N VAL A 99 -7.506 -4.098 6.027 1.00 0.00 N ATOM 1780 CA VAL A 99 -6.416 -4.980 5.561 1.00 0.00 C ATOM 1781 C VAL A 99 -6.834 -6.459 5.491 1.00 0.00 C ATOM 1782 O VAL A 99 -6.277 -7.225 4.705 1.00 0.00 O ATOM 1783 CB VAL A 99 -5.144 -4.781 6.408 1.00 0.00 C ATOM 1784 CG1 VAL A 99 -3.922 -5.520 5.850 1.00 0.00 C ATOM 1785 CG2 VAL A 99 -4.735 -3.305 6.520 1.00 0.00 C ATOM 0 H VAL A 99 -7.265 -3.601 6.884 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.186 -4.686 4.537 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.420 -5.186 7.382 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.061 -5.338 6.493 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.128 -6.590 5.815 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -3.706 -5.159 4.844 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.833 -3.222 7.127 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.540 -2.905 5.525 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.540 -2.739 6.988 1.00 0.00 H new ATOM 1795 N LYS A 100 -7.869 -6.848 6.251 1.00 0.00 N ATOM 1796 CA LYS A 100 -8.497 -8.182 6.218 1.00 0.00 C ATOM 1797 C LYS A 100 -9.146 -8.530 4.868 1.00 0.00 C ATOM 1798 O LYS A 100 -9.313 -9.706 4.550 1.00 0.00 O ATOM 1799 CB LYS A 100 -9.548 -8.275 7.340 1.00 0.00 C ATOM 1800 CG LYS A 100 -8.949 -8.162 8.753 1.00 0.00 C ATOM 1801 CD LYS A 100 -10.054 -8.101 9.820 1.00 0.00 C ATOM 1802 CE LYS A 100 -9.443 -8.102 11.227 1.00 0.00 C ATOM 1803 NZ LYS A 100 -10.461 -7.841 12.278 1.00 0.00 N ATOM 0 H LYS A 100 -8.308 -6.224 6.928 1.00 0.00 H new ATOM 0 HA LYS A 100 -7.699 -8.909 6.367 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.286 -7.484 7.202 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.078 -9.224 7.253 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.300 -9.016 8.946 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.327 -7.269 8.817 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.655 -7.203 9.679 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -10.724 -8.953 9.707 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.967 -9.065 11.415 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.662 -7.344 11.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.079 -8.113 13.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.701 -6.829 12.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -11.316 -8.398 12.079 1.00 0.00 H new ATOM 1817 N GLU A 101 -9.504 -7.533 4.055 1.00 0.00 N ATOM 1818 CA GLU A 101 -10.125 -7.697 2.728 1.00 0.00 C ATOM 1819 C GLU A 101 -9.077 -7.988 1.632 1.00 0.00 C ATOM 1820 O GLU A 101 -9.014 -7.319 0.598 1.00 0.00 O ATOM 1821 CB GLU A 101 -11.033 -6.490 2.412 1.00 0.00 C ATOM 1822 CG GLU A 101 -12.165 -6.351 3.449 1.00 0.00 C ATOM 1823 CD GLU A 101 -13.175 -5.228 3.141 1.00 0.00 C ATOM 1824 OE1 GLU A 101 -12.957 -4.414 2.212 1.00 0.00 O ATOM 1825 OE2 GLU A 101 -14.209 -5.149 3.848 1.00 0.00 O ATOM 0 H GLU A 101 -9.367 -6.554 4.306 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.765 -8.579 2.746 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -10.436 -5.578 2.398 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -11.462 -6.606 1.417 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.701 -7.298 3.513 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.724 -6.168 4.429 1.00 0.00 H new ATOM 1832 N HIS A 102 -8.231 -8.999 1.869 1.00 0.00 N ATOM 1833 CA HIS A 102 -7.026 -9.307 1.088 1.00 0.00 C ATOM 1834 C HIS A 102 -7.254 -9.392 -0.429 1.00 0.00 C ATOM 1835 O HIS A 102 -6.510 -8.788 -1.202 1.00 0.00 O ATOM 1836 CB HIS A 102 -6.423 -10.629 1.594 1.00 0.00 C ATOM 1837 CG HIS A 102 -6.126 -10.677 3.073 1.00 0.00 C ATOM 1838 ND1 HIS A 102 -5.152 -9.966 3.736 1.00 0.00 N ATOM 1839 CD2 HIS A 102 -6.674 -11.546 3.980 1.00 0.00 C ATOM 1840 CE1 HIS A 102 -5.118 -10.385 5.011 1.00 0.00 C ATOM 1841 NE2 HIS A 102 -6.016 -11.367 5.204 1.00 0.00 N ATOM 0 H HIS A 102 -8.373 -9.651 2.641 1.00 0.00 H new ATOM 0 HA HIS A 102 -6.342 -8.472 1.238 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -7.110 -11.439 1.352 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -5.499 -10.821 1.048 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -7.473 -12.246 3.785 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -4.463 -9.990 5.773 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -6.185 -11.880 6.069 1.00 0.00 H new ATOM 1849 N ARG A 103 -8.303 -10.101 -0.868 1.00 0.00 N ATOM 1850 CA ARG A 103 -8.632 -10.285 -2.297 1.00 0.00 C ATOM 1851 C ARG A 103 -9.117 -9.000 -2.983 1.00 0.00 C ATOM 1852 O ARG A 103 -8.851 -8.807 -4.170 1.00 0.00 O ATOM 1853 CB ARG A 103 -9.626 -11.448 -2.452 1.00 0.00 C ATOM 1854 CG ARG A 103 -11.001 -11.209 -1.804 1.00 0.00 C ATOM 1855 CD ARG A 103 -11.860 -12.480 -1.814 1.00 0.00 C ATOM 1856 NE ARG A 103 -13.149 -12.234 -1.132 1.00 0.00 N ATOM 1857 CZ ARG A 103 -13.691 -12.926 -0.144 1.00 0.00 C ATOM 1858 NH1 ARG A 103 -13.193 -14.051 0.284 1.00 0.00 N ATOM 1859 NH2 ARG A 103 -14.768 -12.493 0.443 1.00 0.00 N ATOM 0 H ARG A 103 -8.956 -10.569 -0.239 1.00 0.00 H new ATOM 0 HA ARG A 103 -7.710 -10.541 -2.820 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -9.770 -11.646 -3.514 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -9.185 -12.345 -2.017 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -10.866 -10.869 -0.777 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -11.522 -10.413 -2.337 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -12.039 -12.798 -2.841 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -11.327 -13.291 -1.318 1.00 0.00 H new ATOM 0 HE ARG A 103 -13.686 -11.433 -1.464 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -12.351 -14.432 -0.146 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -13.645 -14.551 1.050 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -15.196 -11.618 0.141 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -15.184 -13.029 1.205 1.00 0.00 H new ATOM 1873 N LYS A 104 -9.768 -8.091 -2.241 1.00 0.00 N ATOM 1874 CA LYS A 104 -10.136 -6.752 -2.736 1.00 0.00 C ATOM 1875 C LYS A 104 -8.896 -5.865 -2.844 1.00 0.00 C ATOM 1876 O LYS A 104 -8.686 -5.231 -3.874 1.00 0.00 O ATOM 1877 CB LYS A 104 -11.203 -6.117 -1.826 1.00 0.00 C ATOM 1878 CG LYS A 104 -11.904 -4.947 -2.539 1.00 0.00 C ATOM 1879 CD LYS A 104 -12.835 -4.163 -1.605 1.00 0.00 C ATOM 1880 CE LYS A 104 -12.054 -3.125 -0.787 1.00 0.00 C ATOM 1881 NZ LYS A 104 -12.911 -2.500 0.249 1.00 0.00 N ATOM 0 H LYS A 104 -10.056 -8.263 -1.278 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.564 -6.851 -3.733 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.939 -6.869 -1.542 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -10.738 -5.762 -0.906 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -11.152 -4.272 -2.948 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -12.479 -5.331 -3.381 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -13.606 -3.663 -2.191 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -13.344 -4.853 -0.932 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -11.197 -3.603 -0.313 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -11.663 -2.355 -1.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -12.457 -1.632 0.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -13.837 -2.265 -0.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -13.041 -3.164 1.039 1.00 0.00 H new ATOM 1895 N ILE A 105 -8.033 -5.882 -1.824 1.00 0.00 N ATOM 1896 CA ILE A 105 -6.745 -5.171 -1.852 1.00 0.00 C ATOM 1897 C ILE A 105 -5.908 -5.632 -3.046 1.00 0.00 C ATOM 1898 O ILE A 105 -5.446 -4.791 -3.807 1.00 0.00 O ATOM 1899 CB ILE A 105 -5.995 -5.311 -0.510 1.00 0.00 C ATOM 1900 CG1 ILE A 105 -6.772 -4.543 0.580 1.00 0.00 C ATOM 1901 CG2 ILE A 105 -4.555 -4.773 -0.613 1.00 0.00 C ATOM 1902 CD1 ILE A 105 -6.301 -4.862 1.998 1.00 0.00 C ATOM 0 H ILE A 105 -8.204 -6.388 -0.955 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.937 -4.106 -1.983 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.933 -6.368 -0.251 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.669 -3.472 0.403 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.833 -4.780 0.495 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -4.055 -4.886 0.349 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -4.011 -5.333 -1.373 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.579 -3.718 -0.887 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.889 -4.288 2.714 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.429 -5.927 2.193 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.248 -4.599 2.100 1.00 0.00 H new ATOM 1914 N TYR A 106 -5.799 -6.939 -3.287 1.00 0.00 N ATOM 1915 CA TYR A 106 -5.178 -7.487 -4.496 1.00 0.00 C ATOM 1916 C TYR A 106 -5.651 -6.912 -5.838 1.00 0.00 C ATOM 1917 O TYR A 106 -4.826 -6.479 -6.641 1.00 0.00 O ATOM 1918 CB TYR A 106 -5.255 -9.025 -4.499 1.00 0.00 C ATOM 1919 CG TYR A 106 -4.209 -9.827 -3.743 1.00 0.00 C ATOM 1920 CD1 TYR A 106 -3.472 -9.296 -2.663 1.00 0.00 C ATOM 1921 CD2 TYR A 106 -3.986 -11.159 -4.148 1.00 0.00 C ATOM 1922 CE1 TYR A 106 -2.482 -10.075 -2.031 1.00 0.00 C ATOM 1923 CE2 TYR A 106 -3.000 -11.941 -3.521 1.00 0.00 C ATOM 1924 CZ TYR A 106 -2.233 -11.396 -2.471 1.00 0.00 C ATOM 1925 OH TYR A 106 -1.260 -12.150 -1.897 1.00 0.00 O ATOM 0 H TYR A 106 -6.141 -7.653 -2.645 1.00 0.00 H new ATOM 0 HA TYR A 106 -4.142 -7.156 -4.428 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.231 -9.304 -4.102 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -5.229 -9.352 -5.539 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -3.667 -8.291 -2.320 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -4.577 -11.582 -4.946 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.913 -9.663 -1.210 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -2.830 -12.958 -3.843 1.00 0.00 H new ATOM 0 HH TYR A 106 -0.787 -11.617 -1.224 1.00 0.00 H new ATOM 1935 N THR A 107 -6.964 -6.853 -6.088 1.00 0.00 N ATOM 1936 CA THR A 107 -7.492 -6.240 -7.321 1.00 0.00 C ATOM 1937 C THR A 107 -7.284 -4.725 -7.438 1.00 0.00 C ATOM 1938 O THR A 107 -6.919 -4.221 -8.505 1.00 0.00 O ATOM 1939 CB THR A 107 -8.916 -6.720 -7.658 1.00 0.00 C ATOM 1940 OG1 THR A 107 -9.126 -6.682 -9.054 1.00 0.00 O ATOM 1941 CG2 THR A 107 -10.020 -5.867 -7.036 1.00 0.00 C ATOM 0 H THR A 107 -7.680 -7.219 -5.460 1.00 0.00 H new ATOM 0 HA THR A 107 -6.856 -6.624 -8.119 1.00 0.00 H new ATOM 0 HB THR A 107 -8.976 -7.729 -7.250 1.00 0.00 H new ATOM 0 HG1 THR A 107 -10.034 -6.991 -9.257 1.00 0.00 H new ATOM 0 HG21 THR A 107 -10.993 -6.268 -7.319 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.923 -5.882 -5.950 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.933 -4.841 -7.394 1.00 0.00 H new ATOM 1949 N MET A 108 -7.412 -3.992 -6.322 1.00 0.00 N ATOM 1950 CA MET A 108 -7.118 -2.552 -6.277 1.00 0.00 C ATOM 1951 C MET A 108 -5.620 -2.263 -6.477 1.00 0.00 C ATOM 1952 O MET A 108 -5.257 -1.306 -7.159 1.00 0.00 O ATOM 1953 CB MET A 108 -7.587 -1.939 -4.949 1.00 0.00 C ATOM 1954 CG MET A 108 -9.103 -2.008 -4.723 1.00 0.00 C ATOM 1955 SD MET A 108 -9.714 -1.089 -3.274 1.00 0.00 S ATOM 1956 CE MET A 108 -8.859 -1.903 -1.894 1.00 0.00 C ATOM 0 H MET A 108 -7.721 -4.378 -5.430 1.00 0.00 H new ATOM 0 HA MET A 108 -7.666 -2.093 -7.100 1.00 0.00 H new ATOM 0 HB2 MET A 108 -7.085 -2.452 -4.128 1.00 0.00 H new ATOM 0 HB3 MET A 108 -7.273 -0.896 -4.913 1.00 0.00 H new ATOM 0 HG2 MET A 108 -9.604 -1.627 -5.613 1.00 0.00 H new ATOM 0 HG3 MET A 108 -9.391 -3.054 -4.618 1.00 0.00 H new ATOM 0 HE1 MET A 108 -9.123 -1.408 -0.960 1.00 0.00 H new ATOM 0 HE2 MET A 108 -9.159 -2.950 -1.847 1.00 0.00 H new ATOM 0 HE3 MET A 108 -7.781 -1.841 -2.046 1.00 0.00 H new ATOM 1966 N MET A 109 -4.746 -3.100 -5.912 1.00 0.00 N ATOM 1967 CA MET A 109 -3.291 -2.938 -5.958 1.00 0.00 C ATOM 1968 C MET A 109 -2.694 -3.422 -7.290 1.00 0.00 C ATOM 1969 O MET A 109 -1.758 -2.807 -7.796 1.00 0.00 O ATOM 1970 CB MET A 109 -2.672 -3.562 -4.692 1.00 0.00 C ATOM 1971 CG MET A 109 -2.201 -5.017 -4.758 1.00 0.00 C ATOM 1972 SD MET A 109 -0.513 -5.267 -5.383 1.00 0.00 S ATOM 1973 CE MET A 109 0.427 -4.230 -4.226 1.00 0.00 C ATOM 0 H MET A 109 -5.039 -3.930 -5.397 1.00 0.00 H new ATOM 0 HA MET A 109 -3.032 -1.879 -5.941 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.819 -2.949 -4.402 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.407 -3.486 -3.890 1.00 0.00 H new ATOM 0 HG2 MET A 109 -2.267 -5.447 -3.759 1.00 0.00 H new ATOM 0 HG3 MET A 109 -2.890 -5.575 -5.392 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.462 -4.570 -4.192 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.396 -3.193 -4.560 1.00 0.00 H new ATOM 0 HE3 MET A 109 -0.012 -4.304 -3.231 1.00 0.00 H new ATOM 1983 N ALA A 110 -3.297 -4.425 -7.942 1.00 0.00 N ATOM 1984 CA ALA A 110 -2.946 -4.807 -9.314 1.00 0.00 C ATOM 1985 C ALA A 110 -3.260 -3.672 -10.312 1.00 0.00 C ATOM 1986 O ALA A 110 -2.493 -3.428 -11.244 1.00 0.00 O ATOM 1987 CB ALA A 110 -3.694 -6.095 -9.675 1.00 0.00 C ATOM 0 H ALA A 110 -4.040 -4.992 -7.534 1.00 0.00 H new ATOM 0 HA ALA A 110 -1.873 -4.986 -9.375 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.441 -6.389 -10.694 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.406 -6.889 -8.986 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -4.768 -5.924 -9.603 1.00 0.00 H new ATOM 1993 N SER A 111 -4.328 -2.903 -10.067 1.00 0.00 N ATOM 1994 CA SER A 111 -4.680 -1.701 -10.846 1.00 0.00 C ATOM 1995 C SER A 111 -3.689 -0.529 -10.682 1.00 0.00 C ATOM 1996 O SER A 111 -3.812 0.482 -11.377 1.00 0.00 O ATOM 1997 CB SER A 111 -6.106 -1.243 -10.509 1.00 0.00 C ATOM 1998 OG SER A 111 -7.059 -2.244 -10.838 1.00 0.00 O ATOM 0 H SER A 111 -4.984 -3.098 -9.311 1.00 0.00 H new ATOM 0 HA SER A 111 -4.621 -1.999 -11.893 1.00 0.00 H new ATOM 0 HB2 SER A 111 -6.174 -1.008 -9.447 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.335 -0.327 -11.053 1.00 0.00 H new ATOM 0 HG SER A 111 -7.075 -2.925 -10.133 1.00 0.00 H new ATOM 2004 N MET A 112 -2.690 -0.646 -9.794 1.00 0.00 N ATOM 2005 CA MET A 112 -1.571 0.303 -9.671 1.00 0.00 C ATOM 2006 C MET A 112 -0.365 -0.049 -10.561 1.00 0.00 C ATOM 2007 O MET A 112 0.531 0.781 -10.726 1.00 0.00 O ATOM 2008 CB MET A 112 -1.102 0.409 -8.214 1.00 0.00 C ATOM 2009 CG MET A 112 -2.220 0.663 -7.200 1.00 0.00 C ATOM 2010 SD MET A 112 -1.636 0.656 -5.485 1.00 0.00 S ATOM 2011 CE MET A 112 -3.235 0.711 -4.643 1.00 0.00 C ATOM 0 H MET A 112 -2.636 -1.417 -9.128 1.00 0.00 H new ATOM 0 HA MET A 112 -1.963 1.261 -10.014 1.00 0.00 H new ATOM 0 HB2 MET A 112 -0.588 -0.513 -7.944 1.00 0.00 H new ATOM 0 HB3 MET A 112 -0.372 1.215 -8.139 1.00 0.00 H new ATOM 0 HG2 MET A 112 -2.686 1.624 -7.415 1.00 0.00 H new ATOM 0 HG3 MET A 112 -2.990 -0.099 -7.319 1.00 0.00 H new ATOM 0 HE1 MET A 112 -3.107 1.132 -3.646 1.00 0.00 H new ATOM 0 HE2 MET A 112 -3.925 1.333 -5.213 1.00 0.00 H new ATOM 0 HE3 MET A 112 -3.638 -0.298 -4.562 1.00 0.00 H new ATOM 2021 N THR A 113 -0.321 -1.269 -11.111 1.00 0.00 N ATOM 2022 CA THR A 113 0.826 -1.836 -11.853 1.00 0.00 C ATOM 2023 C THR A 113 0.515 -2.498 -13.204 1.00 0.00 C ATOM 2024 O THR A 113 1.420 -2.704 -14.016 1.00 0.00 O ATOM 2025 CB THR A 113 1.712 -2.736 -10.967 1.00 0.00 C ATOM 2026 OG1 THR A 113 1.220 -4.058 -10.985 1.00 0.00 O ATOM 2027 CG2 THR A 113 1.820 -2.319 -9.496 1.00 0.00 C ATOM 0 H THR A 113 -1.108 -1.916 -11.053 1.00 0.00 H new ATOM 0 HA THR A 113 1.394 -0.948 -12.130 1.00 0.00 H new ATOM 0 HB THR A 113 2.707 -2.641 -11.402 1.00 0.00 H new ATOM 0 HG1 THR A 113 1.869 -4.655 -10.558 1.00 0.00 H new ATOM 0 HG21 THR A 113 2.465 -3.019 -8.966 1.00 0.00 H new ATOM 0 HG22 THR A 113 2.243 -1.316 -9.432 1.00 0.00 H new ATOM 0 HG23 THR A 113 0.829 -2.325 -9.043 1.00 0.00 H new ATOM 2035 N GLY A 114 -0.763 -2.783 -13.474 1.00 0.00 N ATOM 2036 CA GLY A 114 -1.281 -3.347 -14.725 1.00 0.00 C ATOM 2037 C GLY A 114 -2.690 -2.839 -15.067 1.00 0.00 C ATOM 2038 O GLY A 114 -3.093 -1.752 -14.641 1.00 0.00 O ATOM 0 H GLY A 114 -1.502 -2.618 -12.791 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -0.602 -3.097 -15.540 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -1.300 -4.434 -14.648 1.00 0.00 H new ATOM 2042 N GLY A 115 -3.447 -3.625 -15.841 1.00 0.00 N ATOM 2043 CA GLY A 115 -4.771 -3.248 -16.357 1.00 0.00 C ATOM 2044 C GLY A 115 -4.703 -2.381 -17.624 1.00 0.00 C ATOM 2045 O GLY A 115 -3.769 -2.502 -18.422 1.00 0.00 O ATOM 0 H GLY A 115 -3.153 -4.557 -16.132 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.340 -4.152 -16.573 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -5.315 -2.707 -15.583 1.00 0.00 H new ATOM 2049 N GLN A 116 -5.702 -1.513 -17.821 1.00 0.00 N ATOM 2050 CA GLN A 116 -5.838 -0.639 -18.998 1.00 0.00 C ATOM 2051 C GLN A 116 -6.503 0.710 -18.666 1.00 0.00 C ATOM 2052 O GLN A 116 -7.122 0.876 -17.611 1.00 0.00 O ATOM 2053 CB GLN A 116 -6.620 -1.376 -20.107 1.00 0.00 C ATOM 2054 CG GLN A 116 -8.060 -1.767 -19.720 1.00 0.00 C ATOM 2055 CD GLN A 116 -8.948 -1.983 -20.945 1.00 0.00 C ATOM 2056 OE1 GLN A 116 -9.102 -3.088 -21.451 1.00 0.00 O ATOM 2057 NE2 GLN A 116 -9.427 -0.927 -21.572 1.00 0.00 N ATOM 0 H GLN A 116 -6.460 -1.394 -17.149 1.00 0.00 H new ATOM 0 HA GLN A 116 -4.833 -0.407 -19.351 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -6.655 -0.742 -20.993 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -6.073 -2.278 -20.382 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -8.039 -2.679 -19.123 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -8.491 -0.986 -19.094 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -9.310 0.002 -21.168 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -9.915 -1.039 -22.461 1.00 0.00 H new ATOM 2066 N GLN A 117 -6.415 1.664 -19.598 1.00 0.00 N ATOM 2067 CA GLN A 117 -7.170 2.923 -19.553 1.00 0.00 C ATOM 2068 C GLN A 117 -8.678 2.685 -19.770 1.00 0.00 C ATOM 2069 O GLN A 117 -9.075 1.764 -20.493 1.00 0.00 O ATOM 2070 CB GLN A 117 -6.628 3.906 -20.610 1.00 0.00 C ATOM 2071 CG GLN A 117 -5.145 4.280 -20.434 1.00 0.00 C ATOM 2072 CD GLN A 117 -4.830 4.906 -19.076 1.00 0.00 C ATOM 2073 OE1 GLN A 117 -4.285 4.277 -18.178 1.00 0.00 O ATOM 2074 NE2 GLN A 117 -5.319 6.098 -18.802 1.00 0.00 N ATOM 0 H GLN A 117 -5.810 1.584 -20.416 1.00 0.00 H new ATOM 0 HA GLN A 117 -7.040 3.356 -18.561 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -6.764 3.468 -21.599 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -7.225 4.817 -20.580 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -4.535 3.386 -20.563 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -4.859 4.977 -21.221 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -5.778 6.642 -19.533 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -5.239 6.478 -17.859 1.00 0.00 H new ATOM 2083 N MET A 118 -9.520 3.532 -19.168 1.00 0.00 N ATOM 2084 CA MET A 118 -10.988 3.473 -19.304 1.00 0.00 C ATOM 2085 C MET A 118 -11.523 4.077 -20.621 1.00 0.00 C ATOM 2086 O MET A 118 -12.684 3.849 -20.974 1.00 0.00 O ATOM 2087 CB MET A 118 -11.644 4.142 -18.082 1.00 0.00 C ATOM 2088 CG MET A 118 -11.390 5.655 -17.983 1.00 0.00 C ATOM 2089 SD MET A 118 -12.097 6.456 -16.512 1.00 0.00 S ATOM 2090 CE MET A 118 -13.871 6.345 -16.882 1.00 0.00 C ATOM 0 H MET A 118 -9.201 4.289 -18.564 1.00 0.00 H new ATOM 0 HA MET A 118 -11.259 2.418 -19.344 1.00 0.00 H new ATOM 0 HB2 MET A 118 -12.719 3.967 -18.119 1.00 0.00 H new ATOM 0 HB3 MET A 118 -11.274 3.662 -17.176 1.00 0.00 H new ATOM 0 HG2 MET A 118 -10.314 5.829 -17.992 1.00 0.00 H new ATOM 0 HG3 MET A 118 -11.798 6.136 -18.872 1.00 0.00 H new ATOM 0 HE1 MET A 118 -14.434 6.903 -16.134 1.00 0.00 H new ATOM 0 HE2 MET A 118 -14.064 6.765 -17.869 1.00 0.00 H new ATOM 0 HE3 MET A 118 -14.182 5.300 -16.865 1.00 0.00 H new ATOM 2100 N GLY A 119 -10.698 4.846 -21.346 1.00 0.00 N ATOM 2101 CA GLY A 119 -11.031 5.512 -22.617 1.00 0.00 C ATOM 2102 C GLY A 119 -10.018 6.589 -23.010 1.00 0.00 C ATOM 2103 O GLY A 119 -10.453 7.699 -23.388 1.00 0.00 O ATOM 2104 OXT GLY A 119 -8.799 6.319 -22.933 1.00 0.00 O ATOM 0 H GLY A 119 -9.739 5.030 -21.051 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -11.085 4.765 -23.409 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -12.020 5.963 -22.536 1.00 0.00 H new TER 2108 GLY A 119